USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 824 hydrogens (20 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 NoAdj-H: A 67 HIS HE2 : A 67 HIS NE2 : A 105 HEMFE :(H bumps) USER MOD Set 1.1: A 53 GLN : amide:sc= -16.3! C(o=-31!,f=-35!) USER MOD Set 1.2: A 105 HEM CMC :methyl 150:sc= -14.5! (180deg=-9.28!) USER MOD Set 2.1: A 75 SER OG : rot 100:sc= -1.39 USER MOD Set 2.2: A 105 HEM CMB :methyl -30:sc= -6.74! (180deg=-8.76!) USER MOD Set 3.1: A 25 THR OG1 : rot -62:sc= 1.51 USER MOD Set 3.2: A 37 THR OG1 : rot -13:sc= 0.877 USER MOD Set 4.1: A 19 HIS : no HE2:sc= -19.9! C(o=-24!,f=-26!) USER MOD Set 4.2: A 24 SER OG : rot 130:sc= -4.01! USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 165:sc=-0.00243 USER MOD Single : A 11 TYR OH : rot -49:sc= 0.156 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.169 USER MOD Single : A 17 GLN : amide:sc= -0.363 K(o=-0.36,f=-3!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN :FLIP amide:sc= -3.27! C(o=-4!,f=-3.3!) USER MOD Single : A 21 ASN : amide:sc=-0.00626 X(o=-0.0063,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= -1.81 X(o=-1.8,f=-1.8) USER MOD Single : A 31 TYR OH : rot -63:sc= 0.0423 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 8:sc= -1.45 USER MOD Single : A 38 LYS NZ :NH3+ 167:sc= 0.455 (180deg=-0.342) USER MOD Single : A 43 HIS : no HE2:sc= -21.5! C(o=-21!,f=-30!) USER MOD Single : A 59 THR OG1 : rot 0:sc= 1.57 USER MOD Single : A 61 ASN : amide:sc= -0.697 K(o=-0.7,f=-1.2) USER MOD Single : A 68 SER OG : rot -101:sc= 0.303 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -125:sc= 0.72 (180deg=-0.027) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -14.2! C(o=-14!,f=-16!) USER MOD Single : A 89 SER OG : rot -36:sc= 0.0808 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 176:sc= 0.568 (180deg=0.554) USER MOD Single : A 95 SER OG : rot 22:sc= 0.575 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot -7:sc= 0.8 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HEM CMA :methyl 150:sc= -7.66! (180deg=-7.66!) USER MOD Single : A 105 HEM CMD :methyl -30:sc=-0.00182 (180deg=-0.211) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 33.935 1.152 -29.533 1.00 0.00 N ATOM 2 CA ALA A 1 33.309 0.292 -28.543 1.00 0.00 C ATOM 3 C ALA A 1 32.071 0.990 -27.977 1.00 0.00 C ATOM 4 O ALA A 1 32.171 2.079 -27.415 1.00 0.00 O ATOM 5 CB ALA A 1 34.327 -0.061 -27.456 1.00 0.00 C ATOM 0 H1 ALA A 1 34.777 0.680 -29.920 1.00 0.00 H new ATOM 0 H2 ALA A 1 33.262 1.344 -30.302 1.00 0.00 H new ATOM 0 H3 ALA A 1 34.215 2.049 -29.087 1.00 0.00 H new ATOM 0 HA ALA A 1 32.981 -0.642 -28.999 1.00 0.00 H new ATOM 0 HB1 ALA A 1 33.857 -0.706 -26.713 1.00 0.00 H new ATOM 0 HB2 ALA A 1 35.173 -0.581 -27.905 1.00 0.00 H new ATOM 0 HB3 ALA A 1 34.676 0.852 -26.974 1.00 0.00 H new ATOM 11 N GLU A 2 30.932 0.333 -28.145 1.00 0.00 N ATOM 12 CA GLU A 2 29.676 0.876 -27.658 1.00 0.00 C ATOM 13 C GLU A 2 28.557 -0.156 -27.810 1.00 0.00 C ATOM 14 O GLU A 2 28.759 -1.212 -28.407 1.00 0.00 O ATOM 15 CB GLU A 2 29.325 2.178 -28.382 1.00 0.00 C ATOM 16 CG GLU A 2 29.015 3.294 -27.383 1.00 0.00 C ATOM 17 CD GLU A 2 28.255 4.439 -28.057 1.00 0.00 C ATOM 18 OE1 GLU A 2 28.929 5.253 -28.724 1.00 0.00 O ATOM 19 OE2 GLU A 2 27.017 4.473 -27.892 1.00 0.00 O ATOM 0 H GLU A 2 30.853 -0.571 -28.612 1.00 0.00 H new ATOM 0 HA GLU A 2 29.788 1.107 -26.599 1.00 0.00 H new ATOM 0 HB2 GLU A 2 30.155 2.478 -29.022 1.00 0.00 H new ATOM 0 HB3 GLU A 2 28.464 2.017 -29.031 1.00 0.00 H new ATOM 0 HG2 GLU A 2 28.423 2.895 -26.559 1.00 0.00 H new ATOM 0 HG3 GLU A 2 29.943 3.672 -26.955 1.00 0.00 H new ATOM 26 N GLU A 3 27.402 0.187 -27.258 1.00 0.00 N ATOM 27 CA GLU A 3 26.251 -0.696 -27.325 1.00 0.00 C ATOM 28 C GLU A 3 25.047 -0.056 -26.629 1.00 0.00 C ATOM 29 O GLU A 3 25.171 1.007 -26.021 1.00 0.00 O ATOM 30 CB GLU A 3 26.572 -2.064 -26.715 1.00 0.00 C ATOM 31 CG GLU A 3 26.333 -3.186 -27.727 1.00 0.00 C ATOM 32 CD GLU A 3 26.626 -4.553 -27.107 1.00 0.00 C ATOM 33 OE1 GLU A 3 27.791 -4.754 -26.701 1.00 0.00 O ATOM 34 OE2 GLU A 3 25.679 -5.368 -27.055 1.00 0.00 O ATOM 0 H GLU A 3 27.239 1.064 -26.763 1.00 0.00 H new ATOM 0 HA GLU A 3 25.999 -0.851 -28.374 1.00 0.00 H new ATOM 0 HB2 GLU A 3 27.610 -2.084 -26.384 1.00 0.00 H new ATOM 0 HB3 GLU A 3 25.953 -2.227 -25.833 1.00 0.00 H new ATOM 0 HG2 GLU A 3 25.300 -3.154 -28.074 1.00 0.00 H new ATOM 0 HG3 GLU A 3 26.968 -3.035 -28.600 1.00 0.00 H new ATOM 41 N SER A 4 23.912 -0.726 -26.745 1.00 0.00 N ATOM 42 CA SER A 4 22.687 -0.235 -26.135 1.00 0.00 C ATOM 43 C SER A 4 21.555 -1.242 -26.350 1.00 0.00 C ATOM 44 O SER A 4 21.712 -2.208 -27.093 1.00 0.00 O ATOM 45 CB SER A 4 22.298 1.131 -26.704 1.00 0.00 C ATOM 46 OG SER A 4 22.272 2.141 -25.699 1.00 0.00 O ATOM 0 H SER A 4 23.813 -1.605 -27.252 1.00 0.00 H new ATOM 0 HA SER A 4 22.861 -0.117 -25.065 1.00 0.00 H new ATOM 0 HB2 SER A 4 23.005 1.414 -27.484 1.00 0.00 H new ATOM 0 HB3 SER A 4 21.317 1.062 -27.174 1.00 0.00 H new ATOM 0 HG SER A 4 22.021 2.998 -26.103 1.00 0.00 H new ATOM 52 N SER A 5 20.439 -0.978 -25.685 1.00 0.00 N ATOM 53 CA SER A 5 19.280 -1.848 -25.795 1.00 0.00 C ATOM 54 C SER A 5 17.995 -1.023 -25.712 1.00 0.00 C ATOM 55 O SER A 5 18.021 0.131 -25.288 1.00 0.00 O ATOM 56 CB SER A 5 19.293 -2.922 -24.704 1.00 0.00 C ATOM 57 OG SER A 5 19.080 -4.226 -25.236 1.00 0.00 O ATOM 0 H SER A 5 20.313 -0.175 -25.069 1.00 0.00 H new ATOM 0 HA SER A 5 19.319 -2.349 -26.762 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.249 -2.896 -24.181 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.520 -2.700 -23.968 1.00 0.00 H new ATOM 0 HG SER A 5 19.097 -4.883 -24.509 1.00 0.00 H new ATOM 63 N LYS A 6 16.901 -1.646 -26.124 1.00 0.00 N ATOM 64 CA LYS A 6 15.609 -0.983 -26.101 1.00 0.00 C ATOM 65 C LYS A 6 14.499 -2.036 -26.143 1.00 0.00 C ATOM 66 O LYS A 6 14.760 -3.206 -26.416 1.00 0.00 O ATOM 67 CB LYS A 6 15.517 0.050 -27.226 1.00 0.00 C ATOM 68 CG LYS A 6 15.485 1.473 -26.661 1.00 0.00 C ATOM 69 CD LYS A 6 15.237 2.497 -27.772 1.00 0.00 C ATOM 70 CE LYS A 6 15.223 3.920 -27.211 1.00 0.00 C ATOM 71 NZ LYS A 6 15.406 4.908 -28.298 1.00 0.00 N ATOM 0 H LYS A 6 16.883 -2.603 -26.476 1.00 0.00 H new ATOM 0 HA LYS A 6 15.485 -0.424 -25.174 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.369 -0.060 -27.897 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.620 -0.131 -27.818 1.00 0.00 H new ATOM 0 HG2 LYS A 6 14.702 1.552 -25.907 1.00 0.00 H new ATOM 0 HG3 LYS A 6 16.430 1.692 -26.163 1.00 0.00 H new ATOM 0 HD2 LYS A 6 16.013 2.409 -28.532 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.286 2.285 -28.261 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.279 4.106 -26.698 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.016 4.033 -26.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 15.394 5.869 -27.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 16.318 4.740 -28.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 14.635 4.810 -28.989 1.00 0.00 H new ATOM 85 N ALA A 7 13.286 -1.582 -25.865 1.00 0.00 N ATOM 86 CA ALA A 7 12.137 -2.470 -25.866 1.00 0.00 C ATOM 87 C ALA A 7 12.214 -3.400 -24.654 1.00 0.00 C ATOM 88 O ALA A 7 12.381 -4.609 -24.804 1.00 0.00 O ATOM 89 CB ALA A 7 12.087 -3.239 -27.188 1.00 0.00 C ATOM 0 H ALA A 7 13.074 -0.611 -25.638 1.00 0.00 H new ATOM 0 HA ALA A 7 11.212 -1.899 -25.785 1.00 0.00 H new ATOM 0 HB1 ALA A 7 11.225 -3.906 -27.189 1.00 0.00 H new ATOM 0 HB2 ALA A 7 12.002 -2.535 -28.016 1.00 0.00 H new ATOM 0 HB3 ALA A 7 12.999 -3.825 -27.303 1.00 0.00 H new ATOM 95 N VAL A 8 12.089 -2.801 -23.479 1.00 0.00 N ATOM 96 CA VAL A 8 12.142 -3.560 -22.242 1.00 0.00 C ATOM 97 C VAL A 8 11.583 -4.963 -22.484 1.00 0.00 C ATOM 98 O VAL A 8 12.244 -5.958 -22.194 1.00 0.00 O ATOM 99 CB VAL A 8 11.407 -2.805 -21.132 1.00 0.00 C ATOM 100 CG1 VAL A 8 10.658 -1.596 -21.694 1.00 0.00 C ATOM 101 CG2 VAL A 8 10.457 -3.735 -20.373 1.00 0.00 C ATOM 0 H VAL A 8 11.951 -1.798 -23.358 1.00 0.00 H new ATOM 0 HA VAL A 8 13.173 -3.675 -21.909 1.00 0.00 H new ATOM 0 HB VAL A 8 12.152 -2.438 -20.426 1.00 0.00 H new ATOM 0 HG11 VAL A 8 10.145 -1.078 -20.884 1.00 0.00 H new ATOM 0 HG12 VAL A 8 11.367 -0.917 -22.168 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.928 -1.931 -22.431 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.947 -3.174 -19.590 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.720 -4.145 -21.064 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.026 -4.549 -19.924 1.00 0.00 H new ATOM 111 N LYS A 9 10.367 -4.996 -23.014 1.00 0.00 N ATOM 112 CA LYS A 9 9.711 -6.261 -23.298 1.00 0.00 C ATOM 113 C LYS A 9 9.200 -6.870 -21.991 1.00 0.00 C ATOM 114 O LYS A 9 8.005 -7.117 -21.843 1.00 0.00 O ATOM 115 CB LYS A 9 10.643 -7.184 -24.085 1.00 0.00 C ATOM 116 CG LYS A 9 9.986 -7.646 -25.388 1.00 0.00 C ATOM 117 CD LYS A 9 10.934 -8.536 -26.194 1.00 0.00 C ATOM 118 CE LYS A 9 10.657 -8.410 -27.694 1.00 0.00 C ATOM 119 NZ LYS A 9 10.365 -9.738 -28.280 1.00 0.00 N ATOM 0 H LYS A 9 9.821 -4.168 -23.253 1.00 0.00 H new ATOM 0 HA LYS A 9 8.842 -6.105 -23.938 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.574 -6.662 -24.308 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.901 -8.051 -23.477 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.070 -8.193 -25.164 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.701 -6.779 -25.983 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.967 -8.257 -25.986 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.816 -9.574 -25.884 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.814 -7.740 -27.859 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.519 -7.967 -28.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.179 -9.635 -29.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.181 -10.367 -28.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.529 -10.146 -27.815 1.00 0.00 H new ATOM 133 N TYR A 10 10.132 -7.097 -21.076 1.00 0.00 N ATOM 134 CA TYR A 10 9.792 -7.674 -19.788 1.00 0.00 C ATOM 135 C TYR A 10 10.551 -6.975 -18.657 1.00 0.00 C ATOM 136 O TYR A 10 11.771 -6.836 -18.716 1.00 0.00 O ATOM 137 CB TYR A 10 10.231 -9.138 -19.852 1.00 0.00 C ATOM 138 CG TYR A 10 10.935 -9.520 -21.155 1.00 0.00 C ATOM 139 CD1 TYR A 10 12.252 -9.160 -21.358 1.00 0.00 C ATOM 140 CD2 TYR A 10 10.255 -10.224 -22.127 1.00 0.00 C ATOM 141 CE1 TYR A 10 12.915 -9.522 -22.585 1.00 0.00 C ATOM 142 CE2 TYR A 10 10.917 -10.584 -23.354 1.00 0.00 C ATOM 143 CZ TYR A 10 12.216 -10.215 -23.522 1.00 0.00 C ATOM 144 OH TYR A 10 12.841 -10.554 -24.680 1.00 0.00 O ATOM 0 H TYR A 10 11.123 -6.891 -21.202 1.00 0.00 H new ATOM 0 HA TYR A 10 8.726 -7.566 -19.588 1.00 0.00 H new ATOM 0 HB2 TYR A 10 10.900 -9.343 -19.016 1.00 0.00 H new ATOM 0 HB3 TYR A 10 9.356 -9.775 -19.724 1.00 0.00 H new ATOM 0 HD1 TYR A 10 12.785 -8.608 -20.598 1.00 0.00 H new ATOM 0 HD2 TYR A 10 9.225 -10.506 -21.967 1.00 0.00 H new ATOM 0 HE1 TYR A 10 13.946 -9.248 -22.756 1.00 0.00 H new ATOM 0 HE2 TYR A 10 10.395 -11.134 -24.123 1.00 0.00 H new ATOM 0 HH TYR A 10 12.317 -11.238 -25.147 1.00 0.00 H new ATOM 154 N TYR A 11 9.795 -6.553 -17.654 1.00 0.00 N ATOM 155 CA TYR A 11 10.381 -5.872 -16.512 1.00 0.00 C ATOM 156 C TYR A 11 9.810 -6.413 -15.200 1.00 0.00 C ATOM 157 O TYR A 11 8.907 -7.249 -15.208 1.00 0.00 O ATOM 158 CB TYR A 11 9.992 -4.399 -16.654 1.00 0.00 C ATOM 159 CG TYR A 11 11.134 -3.497 -17.125 1.00 0.00 C ATOM 160 CD1 TYR A 11 12.442 -3.839 -16.848 1.00 0.00 C ATOM 161 CD2 TYR A 11 10.856 -2.342 -17.826 1.00 0.00 C ATOM 162 CE1 TYR A 11 13.518 -2.990 -17.291 1.00 0.00 C ATOM 163 CE2 TYR A 11 11.932 -1.492 -18.269 1.00 0.00 C ATOM 164 CZ TYR A 11 13.209 -1.859 -17.980 1.00 0.00 C ATOM 165 OH TYR A 11 14.225 -1.057 -18.398 1.00 0.00 O ATOM 0 H TYR A 11 8.783 -6.669 -17.608 1.00 0.00 H new ATOM 0 HA TYR A 11 11.461 -6.019 -16.490 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.165 -4.319 -17.359 1.00 0.00 H new ATOM 0 HB3 TYR A 11 9.628 -4.036 -15.693 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.659 -4.743 -16.299 1.00 0.00 H new ATOM 0 HD2 TYR A 11 9.832 -2.075 -18.043 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.546 -3.246 -17.081 1.00 0.00 H new ATOM 0 HE2 TYR A 11 11.729 -0.584 -18.818 1.00 0.00 H new ATOM 0 HH TYR A 11 14.833 -0.883 -17.650 1.00 0.00 H new ATOM 175 N THR A 12 10.359 -5.914 -14.101 1.00 0.00 N ATOM 176 CA THR A 12 9.915 -6.337 -12.783 1.00 0.00 C ATOM 177 C THR A 12 9.063 -5.246 -12.134 1.00 0.00 C ATOM 178 O THR A 12 9.191 -4.070 -12.469 1.00 0.00 O ATOM 179 CB THR A 12 11.154 -6.710 -11.965 1.00 0.00 C ATOM 180 OG1 THR A 12 11.800 -5.463 -11.725 1.00 0.00 O ATOM 181 CG2 THR A 12 12.175 -7.508 -12.779 1.00 0.00 C ATOM 0 H THR A 12 11.107 -5.221 -14.097 1.00 0.00 H new ATOM 0 HA THR A 12 9.272 -7.215 -12.843 1.00 0.00 H new ATOM 0 HB THR A 12 10.852 -7.290 -11.093 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.613 -5.612 -11.199 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.034 -7.747 -12.152 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.716 -8.431 -13.133 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.503 -6.915 -13.633 1.00 0.00 H new ATOM 189 N LEU A 13 8.212 -5.676 -11.213 1.00 0.00 N ATOM 190 CA LEU A 13 7.338 -4.750 -10.512 1.00 0.00 C ATOM 191 C LEU A 13 8.159 -3.564 -10.006 1.00 0.00 C ATOM 192 O LEU A 13 7.693 -2.426 -10.030 1.00 0.00 O ATOM 193 CB LEU A 13 6.564 -5.476 -9.409 1.00 0.00 C ATOM 194 CG LEU A 13 5.186 -6.016 -9.801 1.00 0.00 C ATOM 195 CD1 LEU A 13 4.347 -6.329 -8.560 1.00 0.00 C ATOM 196 CD2 LEU A 13 4.470 -5.053 -10.750 1.00 0.00 C ATOM 0 H LEU A 13 8.109 -6.652 -10.936 1.00 0.00 H new ATOM 0 HA LEU A 13 6.584 -4.350 -11.190 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.171 -6.309 -9.054 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.439 -4.792 -8.570 1.00 0.00 H new ATOM 0 HG LEU A 13 5.326 -6.953 -10.339 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.373 -6.711 -8.866 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.857 -7.079 -7.956 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.212 -5.420 -7.973 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.494 -5.460 -11.013 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.341 -4.088 -10.260 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.065 -4.924 -11.654 1.00 0.00 H new ATOM 208 N GLU A 14 9.370 -3.869 -9.560 1.00 0.00 N ATOM 209 CA GLU A 14 10.260 -2.841 -9.050 1.00 0.00 C ATOM 210 C GLU A 14 10.613 -1.847 -10.158 1.00 0.00 C ATOM 211 O GLU A 14 10.440 -0.640 -9.992 1.00 0.00 O ATOM 212 CB GLU A 14 11.523 -3.460 -8.447 1.00 0.00 C ATOM 213 CG GLU A 14 11.639 -3.129 -6.957 1.00 0.00 C ATOM 214 CD GLU A 14 10.899 -4.165 -6.107 1.00 0.00 C ATOM 215 OE1 GLU A 14 9.766 -4.517 -6.500 1.00 0.00 O ATOM 216 OE2 GLU A 14 11.484 -4.579 -5.082 1.00 0.00 O ATOM 0 H GLU A 14 9.755 -4.814 -9.542 1.00 0.00 H new ATOM 0 HA GLU A 14 9.743 -2.302 -8.256 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.502 -4.541 -8.582 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.402 -3.089 -8.975 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.690 -3.099 -6.668 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.228 -2.137 -6.768 1.00 0.00 H new ATOM 223 N GLU A 15 11.103 -2.390 -11.263 1.00 0.00 N ATOM 224 CA GLU A 15 11.482 -1.565 -12.398 1.00 0.00 C ATOM 225 C GLU A 15 10.343 -0.612 -12.765 1.00 0.00 C ATOM 226 O GLU A 15 10.582 0.546 -13.101 1.00 0.00 O ATOM 227 CB GLU A 15 11.881 -2.429 -13.595 1.00 0.00 C ATOM 228 CG GLU A 15 12.616 -1.600 -14.650 1.00 0.00 C ATOM 229 CD GLU A 15 14.129 -1.804 -14.552 1.00 0.00 C ATOM 230 OE1 GLU A 15 14.583 -2.157 -13.442 1.00 0.00 O ATOM 231 OE2 GLU A 15 14.796 -1.604 -15.589 1.00 0.00 O ATOM 0 H GLU A 15 11.246 -3.391 -11.397 1.00 0.00 H new ATOM 0 HA GLU A 15 12.351 -0.970 -12.116 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.519 -3.247 -13.261 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.991 -2.879 -14.036 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.271 -1.883 -15.645 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.379 -0.544 -14.518 1.00 0.00 H new ATOM 238 N ILE A 16 9.128 -1.135 -12.688 1.00 0.00 N ATOM 239 CA ILE A 16 7.951 -0.346 -13.009 1.00 0.00 C ATOM 240 C ILE A 16 7.640 0.595 -11.842 1.00 0.00 C ATOM 241 O ILE A 16 7.154 1.706 -12.049 1.00 0.00 O ATOM 242 CB ILE A 16 6.783 -1.256 -13.392 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.253 -2.409 -14.281 1.00 0.00 C ATOM 244 CG2 ILE A 16 5.653 -0.456 -14.043 1.00 0.00 C ATOM 245 CD1 ILE A 16 6.639 -3.735 -13.833 1.00 0.00 C ATOM 0 H ILE A 16 8.933 -2.096 -12.408 1.00 0.00 H new ATOM 0 HA ILE A 16 8.138 0.278 -13.883 1.00 0.00 H new ATOM 0 HB ILE A 16 6.382 -1.696 -12.479 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.978 -2.209 -15.317 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.340 -2.478 -14.247 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.836 -1.128 -14.305 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.292 0.299 -13.344 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.025 0.032 -14.944 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.990 -4.537 -14.483 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.936 -3.944 -12.805 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.552 -3.671 -13.891 1.00 0.00 H new ATOM 257 N GLN A 17 7.935 0.115 -10.642 1.00 0.00 N ATOM 258 CA GLN A 17 7.693 0.900 -9.444 1.00 0.00 C ATOM 259 C GLN A 17 8.598 2.133 -9.425 1.00 0.00 C ATOM 260 O GLN A 17 8.170 3.217 -9.034 1.00 0.00 O ATOM 261 CB GLN A 17 7.892 0.054 -8.185 1.00 0.00 C ATOM 262 CG GLN A 17 6.890 0.444 -7.097 1.00 0.00 C ATOM 263 CD GLN A 17 7.595 0.666 -5.757 1.00 0.00 C ATOM 264 OE1 GLN A 17 8.798 0.518 -5.627 1.00 0.00 O ATOM 265 NE2 GLN A 17 6.780 1.030 -4.771 1.00 0.00 N ATOM 0 H GLN A 17 8.339 -0.807 -10.474 1.00 0.00 H new ATOM 0 HA GLN A 17 6.656 1.235 -9.456 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.775 -1.002 -8.430 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.908 0.184 -7.812 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.364 1.353 -7.390 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.139 -0.339 -6.992 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.781 1.136 -4.948 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.154 1.203 -3.838 1.00 0.00 H new ATOM 274 N LYS A 18 9.836 1.925 -9.850 1.00 0.00 N ATOM 275 CA LYS A 18 10.806 3.006 -9.887 1.00 0.00 C ATOM 276 C LYS A 18 10.374 4.039 -10.931 1.00 0.00 C ATOM 277 O LYS A 18 10.646 5.228 -10.780 1.00 0.00 O ATOM 278 CB LYS A 18 12.215 2.453 -10.114 1.00 0.00 C ATOM 279 CG LYS A 18 12.546 1.360 -9.098 1.00 0.00 C ATOM 280 CD LYS A 18 13.133 1.959 -7.818 1.00 0.00 C ATOM 281 CE LYS A 18 14.375 2.799 -8.127 1.00 0.00 C ATOM 282 NZ LYS A 18 15.241 2.903 -6.930 1.00 0.00 N ATOM 0 H LYS A 18 10.189 1.024 -10.172 1.00 0.00 H new ATOM 0 HA LYS A 18 10.841 3.520 -8.926 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.293 2.051 -11.124 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.943 3.260 -10.035 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.645 0.796 -8.859 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.256 0.657 -9.533 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.384 2.578 -7.325 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.393 1.160 -7.124 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.932 2.347 -8.948 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.076 3.795 -8.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.079 3.476 -7.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.712 3.354 -6.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.541 1.952 -6.635 1.00 0.00 H new ATOM 296 N HIS A 19 9.708 3.546 -11.964 1.00 0.00 N ATOM 297 CA HIS A 19 9.237 4.409 -13.032 1.00 0.00 C ATOM 298 C HIS A 19 7.859 4.969 -12.668 1.00 0.00 C ATOM 299 O HIS A 19 6.835 4.424 -13.082 1.00 0.00 O ATOM 300 CB HIS A 19 9.242 3.672 -14.372 1.00 0.00 C ATOM 301 CG HIS A 19 10.579 3.684 -15.074 1.00 0.00 C ATOM 302 ND1 HIS A 19 10.757 4.211 -16.340 1.00 0.00 N ATOM 303 CD2 HIS A 19 11.800 3.227 -14.672 1.00 0.00 C ATOM 304 CE1 HIS A 19 12.030 4.073 -16.677 1.00 0.00 C ATOM 305 NE2 HIS A 19 12.676 3.463 -15.640 1.00 0.00 N ATOM 0 H HIS A 19 9.483 2.558 -12.084 1.00 0.00 H new ATOM 0 HA HIS A 19 9.917 5.253 -13.147 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.939 2.638 -14.208 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.496 4.123 -15.026 1.00 0.00 H new ATOM 0 HD1 HIS A 19 10.030 4.635 -16.917 1.00 0.00 H new ATOM 0 HD2 HIS A 19 12.017 2.753 -13.726 1.00 0.00 H new ATOM 0 HE1 HIS A 19 12.478 4.387 -17.608 1.00 0.00 H new ATOM 314 N ASN A 20 7.877 6.048 -11.899 1.00 0.00 N ATOM 315 CA ASN A 20 6.643 6.685 -11.476 1.00 0.00 C ATOM 316 C ASN A 20 6.739 8.192 -11.726 1.00 0.00 C ATOM 317 O ASN A 20 6.028 8.976 -11.100 1.00 0.00 O ATOM 318 CB ASN A 20 6.395 6.470 -9.982 1.00 0.00 C ATOM 319 CG ASN A 20 5.339 7.443 -9.454 1.00 0.00 C ATOM 320 OD1 ASN A 20 4.195 7.418 -10.131 1.00 0.00 O flip ATOM 321 ND2 ASN A 20 5.550 8.168 -8.496 1.00 0.00 N flip ATOM 0 H ASN A 20 8.727 6.497 -11.558 1.00 0.00 H new ATOM 0 HA ASN A 20 5.825 6.243 -12.045 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.069 5.445 -9.808 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.326 6.606 -9.432 1.00 0.00 H new ATOM 0 HD21 ASN A 20 6.452 8.136 -8.021 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.824 8.806 -8.169 1.00 0.00 H new ATOM 328 N ASN A 21 7.625 8.550 -12.646 1.00 0.00 N ATOM 329 CA ASN A 21 7.823 9.948 -12.986 1.00 0.00 C ATOM 330 C ASN A 21 7.073 10.264 -14.282 1.00 0.00 C ATOM 331 O ASN A 21 6.747 9.360 -15.052 1.00 0.00 O ATOM 332 CB ASN A 21 9.305 10.254 -13.214 1.00 0.00 C ATOM 333 CG ASN A 21 10.115 10.022 -11.936 1.00 0.00 C ATOM 334 OD1 ASN A 21 10.966 9.151 -11.858 1.00 0.00 O ATOM 335 ND2 ASN A 21 9.803 10.847 -10.940 1.00 0.00 N ATOM 0 H ASN A 21 8.212 7.897 -13.165 1.00 0.00 H new ATOM 0 HA ASN A 21 7.451 10.552 -12.158 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.692 9.622 -14.014 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.421 11.288 -13.540 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.287 10.772 -10.045 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.080 11.555 -11.071 1.00 0.00 H new ATOM 342 N SER A 22 6.819 11.549 -14.483 1.00 0.00 N ATOM 343 CA SER A 22 6.112 11.995 -15.671 1.00 0.00 C ATOM 344 C SER A 22 7.046 11.953 -16.882 1.00 0.00 C ATOM 345 O SER A 22 6.700 12.445 -17.956 1.00 0.00 O ATOM 346 CB SER A 22 5.552 13.406 -15.482 1.00 0.00 C ATOM 347 OG SER A 22 6.580 14.357 -15.213 1.00 0.00 O ATOM 0 H SER A 22 7.090 12.295 -13.843 1.00 0.00 H new ATOM 0 HA SER A 22 5.273 11.321 -15.843 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.009 13.703 -16.379 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.835 13.405 -14.661 1.00 0.00 H new ATOM 0 HG SER A 22 6.182 15.246 -15.100 1.00 0.00 H new ATOM 353 N LYS A 23 8.213 11.360 -16.670 1.00 0.00 N ATOM 354 CA LYS A 23 9.198 11.247 -17.730 1.00 0.00 C ATOM 355 C LYS A 23 9.471 9.769 -18.013 1.00 0.00 C ATOM 356 O LYS A 23 10.194 9.434 -18.950 1.00 0.00 O ATOM 357 CB LYS A 23 10.455 12.048 -17.381 1.00 0.00 C ATOM 358 CG LYS A 23 10.388 13.458 -17.972 1.00 0.00 C ATOM 359 CD LYS A 23 11.590 13.729 -18.881 1.00 0.00 C ATOM 360 CE LYS A 23 11.176 13.728 -20.354 1.00 0.00 C ATOM 361 NZ LYS A 23 12.370 13.720 -21.228 1.00 0.00 N ATOM 0 H LYS A 23 8.497 10.953 -15.779 1.00 0.00 H new ATOM 0 HA LYS A 23 8.815 11.683 -18.653 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.563 12.108 -16.298 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.337 11.532 -17.761 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.465 13.575 -18.539 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.363 14.193 -17.167 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.034 14.691 -18.625 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.355 12.970 -18.714 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.559 12.854 -20.564 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.568 14.607 -20.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.071 13.719 -22.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.944 14.566 -21.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.935 12.868 -21.036 1.00 0.00 H new ATOM 375 N SER A 24 8.877 8.922 -17.184 1.00 0.00 N ATOM 376 CA SER A 24 9.046 7.487 -17.333 1.00 0.00 C ATOM 377 C SER A 24 7.838 6.753 -16.746 1.00 0.00 C ATOM 378 O SER A 24 7.929 5.576 -16.400 1.00 0.00 O ATOM 379 CB SER A 24 10.333 7.011 -16.656 1.00 0.00 C ATOM 380 OG SER A 24 11.197 6.337 -17.568 1.00 0.00 O ATOM 0 H SER A 24 8.278 9.203 -16.407 1.00 0.00 H new ATOM 0 HA SER A 24 9.120 7.261 -18.397 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.855 7.866 -16.227 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.084 6.343 -15.832 1.00 0.00 H new ATOM 0 HG SER A 24 12.100 6.712 -17.501 1.00 0.00 H new ATOM 386 N THR A 25 6.733 7.479 -16.656 1.00 0.00 N ATOM 387 CA THR A 25 5.508 6.913 -16.118 1.00 0.00 C ATOM 388 C THR A 25 5.285 5.503 -16.670 1.00 0.00 C ATOM 389 O THR A 25 4.843 5.339 -17.806 1.00 0.00 O ATOM 390 CB THR A 25 4.363 7.877 -16.434 1.00 0.00 C ATOM 391 OG1 THR A 25 5.008 9.133 -16.626 1.00 0.00 O ATOM 392 CG2 THR A 25 3.444 8.108 -15.234 1.00 0.00 C ATOM 0 H THR A 25 6.661 8.454 -16.947 1.00 0.00 H new ATOM 0 HA THR A 25 5.567 6.799 -15.036 1.00 0.00 H new ATOM 0 HB THR A 25 3.779 7.486 -17.267 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.456 9.401 -15.796 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.649 8.800 -15.512 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.007 7.159 -14.922 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.020 8.530 -14.411 1.00 0.00 H new ATOM 400 N TRP A 26 5.603 4.521 -15.839 1.00 0.00 N ATOM 401 CA TRP A 26 5.443 3.131 -16.229 1.00 0.00 C ATOM 402 C TRP A 26 4.387 2.503 -15.318 1.00 0.00 C ATOM 403 O TRP A 26 4.316 2.820 -14.131 1.00 0.00 O ATOM 404 CB TRP A 26 6.783 2.393 -16.190 1.00 0.00 C ATOM 405 CG TRP A 26 7.773 2.844 -17.264 1.00 0.00 C ATOM 406 CD1 TRP A 26 7.603 3.787 -18.200 1.00 0.00 C ATOM 407 CD2 TRP A 26 9.104 2.327 -17.479 1.00 0.00 C ATOM 408 NE1 TRP A 26 8.721 3.918 -18.998 1.00 0.00 N ATOM 409 CE2 TRP A 26 9.663 3.001 -18.545 1.00 0.00 C ATOM 410 CE3 TRP A 26 9.811 1.323 -16.793 1.00 0.00 C ATOM 411 CZ2 TRP A 26 10.955 2.745 -19.022 1.00 0.00 C ATOM 412 CZ3 TRP A 26 11.101 1.078 -17.282 1.00 0.00 C ATOM 413 CH2 TRP A 26 11.678 1.748 -18.355 1.00 0.00 C ATOM 0 H TRP A 26 5.970 4.661 -14.898 1.00 0.00 H new ATOM 0 HA TRP A 26 5.100 3.057 -17.261 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.237 2.536 -15.209 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.601 1.324 -16.304 1.00 0.00 H new ATOM 0 HD1 TRP A 26 6.703 4.372 -18.316 1.00 0.00 H new ATOM 0 HE1 TRP A 26 8.835 4.567 -19.776 1.00 0.00 H new ATOM 0 HE3 TRP A 26 9.393 0.784 -15.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 11.371 3.287 -19.859 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 11.688 0.316 -16.791 1.00 0.00 H new ATOM 0 HH2 TRP A 26 12.680 1.501 -18.673 1.00 0.00 H new ATOM 424 N LEU A 27 3.592 1.621 -15.906 1.00 0.00 N ATOM 425 CA LEU A 27 2.543 0.945 -15.163 1.00 0.00 C ATOM 426 C LEU A 27 2.271 -0.421 -15.797 1.00 0.00 C ATOM 427 O LEU A 27 2.774 -0.717 -16.880 1.00 0.00 O ATOM 428 CB LEU A 27 1.301 1.832 -15.059 1.00 0.00 C ATOM 429 CG LEU A 27 0.270 1.677 -16.180 1.00 0.00 C ATOM 430 CD1 LEU A 27 0.957 1.526 -17.538 1.00 0.00 C ATOM 431 CD2 LEU A 27 -0.686 0.519 -15.889 1.00 0.00 C ATOM 0 H LEU A 27 3.654 1.359 -16.890 1.00 0.00 H new ATOM 0 HA LEU A 27 2.863 0.762 -14.137 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.809 1.624 -14.109 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.624 2.873 -15.030 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.330 2.586 -16.222 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.203 1.418 -18.317 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.563 2.410 -17.740 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.596 0.643 -17.526 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.408 0.431 -16.701 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.119 -0.408 -15.805 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.213 0.708 -14.954 1.00 0.00 H new ATOM 443 N ILE A 28 1.477 -1.216 -15.097 1.00 0.00 N ATOM 444 CA ILE A 28 1.132 -2.542 -15.579 1.00 0.00 C ATOM 445 C ILE A 28 -0.357 -2.584 -15.926 1.00 0.00 C ATOM 446 O ILE A 28 -1.189 -2.093 -15.166 1.00 0.00 O ATOM 447 CB ILE A 28 1.557 -3.608 -14.565 1.00 0.00 C ATOM 448 CG1 ILE A 28 2.557 -3.038 -13.557 1.00 0.00 C ATOM 449 CG2 ILE A 28 2.102 -4.851 -15.271 1.00 0.00 C ATOM 450 CD1 ILE A 28 3.996 -3.242 -14.035 1.00 0.00 C ATOM 0 H ILE A 28 1.062 -0.967 -14.199 1.00 0.00 H new ATOM 0 HA ILE A 28 1.679 -2.768 -16.494 1.00 0.00 H new ATOM 0 HB ILE A 28 0.674 -3.917 -14.005 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.366 -1.975 -13.412 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.419 -3.522 -12.590 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.396 -5.592 -14.528 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.330 -5.271 -15.916 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.968 -4.577 -15.873 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.686 -2.828 -13.300 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.192 -4.307 -14.156 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.137 -2.736 -14.990 1.00 0.00 H new ATOM 462 N LEU A 29 -0.647 -3.174 -17.076 1.00 0.00 N ATOM 463 CA LEU A 29 -2.022 -3.287 -17.534 1.00 0.00 C ATOM 464 C LEU A 29 -2.297 -4.729 -17.961 1.00 0.00 C ATOM 465 O LEU A 29 -1.669 -5.235 -18.891 1.00 0.00 O ATOM 466 CB LEU A 29 -2.307 -2.255 -18.627 1.00 0.00 C ATOM 467 CG LEU A 29 -3.581 -1.425 -18.451 1.00 0.00 C ATOM 468 CD1 LEU A 29 -4.079 -0.894 -19.797 1.00 0.00 C ATOM 469 CD2 LEU A 29 -4.657 -2.223 -17.715 1.00 0.00 C ATOM 0 H LEU A 29 0.047 -3.579 -17.705 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.714 -3.059 -16.724 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.458 -1.573 -18.686 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.365 -2.775 -19.583 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.343 -0.560 -17.832 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.985 -0.308 -19.644 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.311 -0.264 -20.246 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.296 -1.731 -20.461 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.552 -1.610 -17.603 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.900 -3.119 -18.286 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.288 -2.509 -16.730 1.00 0.00 H new ATOM 481 N HIS A 30 -3.235 -5.352 -17.262 1.00 0.00 N ATOM 482 CA HIS A 30 -3.600 -6.726 -17.557 1.00 0.00 C ATOM 483 C HIS A 30 -2.440 -7.656 -17.193 1.00 0.00 C ATOM 484 O HIS A 30 -2.606 -8.577 -16.395 1.00 0.00 O ATOM 485 CB HIS A 30 -4.039 -6.870 -19.017 1.00 0.00 C ATOM 486 CG HIS A 30 -4.834 -8.123 -19.298 1.00 0.00 C ATOM 487 ND1 HIS A 30 -4.456 -9.051 -20.252 1.00 0.00 N ATOM 488 CD2 HIS A 30 -5.988 -8.591 -18.741 1.00 0.00 C ATOM 489 CE1 HIS A 30 -5.351 -10.029 -20.261 1.00 0.00 C ATOM 490 NE2 HIS A 30 -6.300 -9.741 -19.324 1.00 0.00 N ATOM 0 H HIS A 30 -3.753 -4.929 -16.492 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.457 -7.016 -16.949 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.638 -6.002 -19.293 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -3.155 -6.862 -19.654 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.552 -8.107 -17.958 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -5.332 -10.901 -20.898 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -7.115 -10.315 -19.108 1.00 0.00 H new ATOM 499 N TYR A 31 -1.292 -7.381 -17.795 1.00 0.00 N ATOM 500 CA TYR A 31 -0.106 -8.180 -17.544 1.00 0.00 C ATOM 501 C TYR A 31 1.091 -7.648 -18.334 1.00 0.00 C ATOM 502 O TYR A 31 2.147 -8.280 -18.369 1.00 0.00 O ATOM 503 CB TYR A 31 -0.438 -9.592 -18.032 1.00 0.00 C ATOM 504 CG TYR A 31 0.032 -9.883 -19.458 1.00 0.00 C ATOM 505 CD1 TYR A 31 1.297 -10.390 -19.678 1.00 0.00 C ATOM 506 CD2 TYR A 31 -0.808 -9.640 -20.525 1.00 0.00 C ATOM 507 CE1 TYR A 31 1.740 -10.666 -21.021 1.00 0.00 C ATOM 508 CE2 TYR A 31 -0.366 -9.914 -21.868 1.00 0.00 C ATOM 509 CZ TYR A 31 0.886 -10.414 -22.050 1.00 0.00 C ATOM 510 OH TYR A 31 1.305 -10.673 -23.318 1.00 0.00 O ATOM 0 H TYR A 31 -1.159 -6.616 -18.456 1.00 0.00 H new ATOM 0 HA TYR A 31 0.158 -8.154 -16.487 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.017 -10.316 -17.356 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -1.517 -9.740 -17.978 1.00 0.00 H new ATOM 0 HD1 TYR A 31 1.955 -10.580 -18.843 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -1.798 -9.244 -20.353 1.00 0.00 H new ATOM 0 HE1 TYR A 31 2.727 -11.064 -21.207 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.014 -9.727 -22.712 1.00 0.00 H new ATOM 0 HH TYR A 31 2.068 -10.097 -23.535 1.00 0.00 H new ATOM 520 N LYS A 32 0.887 -6.493 -18.950 1.00 0.00 N ATOM 521 CA LYS A 32 1.936 -5.869 -19.737 1.00 0.00 C ATOM 522 C LYS A 32 2.306 -4.523 -19.111 1.00 0.00 C ATOM 523 O LYS A 32 1.631 -4.052 -18.198 1.00 0.00 O ATOM 524 CB LYS A 32 1.518 -5.770 -21.205 1.00 0.00 C ATOM 525 CG LYS A 32 0.978 -7.108 -21.714 1.00 0.00 C ATOM 526 CD LYS A 32 -0.096 -6.897 -22.782 1.00 0.00 C ATOM 527 CE LYS A 32 0.498 -7.009 -24.188 1.00 0.00 C ATOM 528 NZ LYS A 32 -0.413 -6.407 -25.185 1.00 0.00 N ATOM 0 H LYS A 32 0.010 -5.973 -18.920 1.00 0.00 H new ATOM 0 HA LYS A 32 2.836 -6.484 -19.727 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.755 -4.999 -21.318 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.372 -5.465 -21.810 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.795 -7.700 -22.127 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.562 -7.676 -20.882 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.887 -7.636 -22.658 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.553 -5.916 -22.654 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.465 -6.508 -24.221 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.673 -8.057 -24.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.005 -6.492 -26.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.327 -6.903 -25.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.559 -5.402 -24.960 1.00 0.00 H new ATOM 542 N VAL A 33 3.380 -3.941 -19.628 1.00 0.00 N ATOM 543 CA VAL A 33 3.847 -2.658 -19.130 1.00 0.00 C ATOM 544 C VAL A 33 3.715 -1.609 -20.235 1.00 0.00 C ATOM 545 O VAL A 33 4.045 -1.874 -21.390 1.00 0.00 O ATOM 546 CB VAL A 33 5.277 -2.792 -18.601 1.00 0.00 C ATOM 547 CG1 VAL A 33 5.742 -1.491 -17.945 1.00 0.00 C ATOM 548 CG2 VAL A 33 5.393 -3.968 -17.630 1.00 0.00 C ATOM 0 H VAL A 33 3.939 -4.334 -20.385 1.00 0.00 H new ATOM 0 HA VAL A 33 3.234 -2.327 -18.292 1.00 0.00 H new ATOM 0 HB VAL A 33 5.932 -2.992 -19.449 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.761 -1.613 -17.577 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.714 -0.684 -18.677 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.083 -1.248 -17.112 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.419 -4.042 -17.269 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.721 -3.811 -16.786 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.122 -4.891 -18.142 1.00 0.00 H new ATOM 558 N TYR A 34 3.232 -0.439 -19.841 1.00 0.00 N ATOM 559 CA TYR A 34 3.051 0.651 -20.786 1.00 0.00 C ATOM 560 C TYR A 34 3.650 1.949 -20.243 1.00 0.00 C ATOM 561 O TYR A 34 3.768 2.124 -19.030 1.00 0.00 O ATOM 562 CB TYR A 34 1.539 0.828 -20.942 1.00 0.00 C ATOM 563 CG TYR A 34 0.780 -0.483 -21.163 1.00 0.00 C ATOM 564 CD1 TYR A 34 0.586 -1.353 -20.112 1.00 0.00 C ATOM 565 CD2 TYR A 34 0.288 -0.791 -22.415 1.00 0.00 C ATOM 566 CE1 TYR A 34 -0.129 -2.586 -20.319 1.00 0.00 C ATOM 567 CE2 TYR A 34 -0.428 -2.024 -22.624 1.00 0.00 C ATOM 568 CZ TYR A 34 -0.600 -2.861 -21.565 1.00 0.00 C ATOM 569 OH TYR A 34 -1.276 -4.025 -21.761 1.00 0.00 O ATOM 0 H TYR A 34 2.961 -0.222 -18.882 1.00 0.00 H new ATOM 0 HA TYR A 34 3.545 0.426 -21.731 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.147 1.318 -20.051 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.346 1.494 -21.783 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.970 -1.110 -19.132 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.440 -0.108 -23.238 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.288 -3.276 -19.504 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.819 -2.278 -23.598 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.434 -4.461 -20.898 1.00 0.00 H new ATOM 579 N ASP A 35 4.015 2.827 -21.166 1.00 0.00 N ATOM 580 CA ASP A 35 4.599 4.104 -20.795 1.00 0.00 C ATOM 581 C ASP A 35 3.496 5.162 -20.717 1.00 0.00 C ATOM 582 O ASP A 35 3.179 5.807 -21.716 1.00 0.00 O ATOM 583 CB ASP A 35 5.623 4.564 -21.835 1.00 0.00 C ATOM 584 CG ASP A 35 7.043 4.762 -21.302 1.00 0.00 C ATOM 585 OD1 ASP A 35 7.165 5.402 -20.236 1.00 0.00 O ATOM 586 OD2 ASP A 35 7.975 4.267 -21.972 1.00 0.00 O ATOM 0 H ASP A 35 3.917 2.679 -22.170 1.00 0.00 H new ATOM 0 HA ASP A 35 5.093 3.981 -19.831 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.653 3.832 -22.642 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.280 5.503 -22.270 1.00 0.00 H new ATOM 591 N LEU A 36 2.942 5.306 -19.522 1.00 0.00 N ATOM 592 CA LEU A 36 1.881 6.274 -19.302 1.00 0.00 C ATOM 593 C LEU A 36 2.373 7.664 -19.710 1.00 0.00 C ATOM 594 O LEU A 36 1.574 8.526 -20.076 1.00 0.00 O ATOM 595 CB LEU A 36 1.379 6.198 -17.859 1.00 0.00 C ATOM 596 CG LEU A 36 0.655 4.907 -17.469 1.00 0.00 C ATOM 597 CD1 LEU A 36 -0.059 5.064 -16.124 1.00 0.00 C ATOM 598 CD2 LEU A 36 -0.300 4.457 -18.575 1.00 0.00 C ATOM 0 H LEU A 36 3.208 4.769 -18.697 1.00 0.00 H new ATOM 0 HA LEU A 36 1.019 6.044 -19.928 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.230 6.330 -17.191 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.705 7.036 -17.685 1.00 0.00 H new ATOM 0 HG LEU A 36 1.400 4.121 -17.349 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.565 4.133 -15.870 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.671 5.303 -15.350 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.791 5.868 -16.193 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.801 3.538 -18.271 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.044 5.234 -18.752 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.263 4.278 -19.491 1.00 0.00 H new ATOM 610 N THR A 37 3.683 7.840 -19.632 1.00 0.00 N ATOM 611 CA THR A 37 4.290 9.112 -19.988 1.00 0.00 C ATOM 612 C THR A 37 3.603 9.704 -21.220 1.00 0.00 C ATOM 613 O THR A 37 3.575 10.921 -21.395 1.00 0.00 O ATOM 614 CB THR A 37 5.791 8.881 -20.181 1.00 0.00 C ATOM 615 OG1 THR A 37 6.314 8.875 -18.854 1.00 0.00 O ATOM 616 CG2 THR A 37 6.484 10.070 -20.849 1.00 0.00 C ATOM 0 H THR A 37 4.342 7.123 -19.328 1.00 0.00 H new ATOM 0 HA THR A 37 4.159 9.849 -19.196 1.00 0.00 H new ATOM 0 HB THR A 37 5.947 7.985 -20.782 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.635 9.212 -18.233 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.547 9.855 -20.963 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.042 10.244 -21.830 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.358 10.959 -20.231 1.00 0.00 H new ATOM 624 N LYS A 38 3.068 8.814 -22.044 1.00 0.00 N ATOM 625 CA LYS A 38 2.383 9.234 -23.256 1.00 0.00 C ATOM 626 C LYS A 38 0.941 9.613 -22.915 1.00 0.00 C ATOM 627 O LYS A 38 0.470 10.685 -23.295 1.00 0.00 O ATOM 628 CB LYS A 38 2.498 8.157 -24.336 1.00 0.00 C ATOM 629 CG LYS A 38 1.582 8.469 -25.520 1.00 0.00 C ATOM 630 CD LYS A 38 0.746 7.246 -25.903 1.00 0.00 C ATOM 631 CE LYS A 38 -0.684 7.371 -25.370 1.00 0.00 C ATOM 632 NZ LYS A 38 -0.989 6.261 -24.441 1.00 0.00 N ATOM 0 H LYS A 38 3.095 7.805 -21.897 1.00 0.00 H new ATOM 0 HA LYS A 38 2.856 10.123 -23.674 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.531 8.089 -24.678 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.237 7.186 -23.916 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.923 9.299 -25.266 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.181 8.787 -26.374 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.726 7.140 -26.988 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.210 6.344 -25.503 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.805 8.326 -24.858 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.390 7.363 -26.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.866 6.473 -23.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.110 5.380 -24.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.206 6.149 -23.765 1.00 0.00 H new ATOM 646 N PHE A 39 0.278 8.711 -22.205 1.00 0.00 N ATOM 647 CA PHE A 39 -1.102 8.938 -21.809 1.00 0.00 C ATOM 648 C PHE A 39 -1.197 10.045 -20.758 1.00 0.00 C ATOM 649 O PHE A 39 -2.293 10.465 -20.390 1.00 0.00 O ATOM 650 CB PHE A 39 -1.614 7.629 -21.204 1.00 0.00 C ATOM 651 CG PHE A 39 -3.023 7.242 -21.660 1.00 0.00 C ATOM 652 CD1 PHE A 39 -4.045 8.130 -21.538 1.00 0.00 C ATOM 653 CD2 PHE A 39 -3.251 6.011 -22.191 1.00 0.00 C ATOM 654 CE1 PHE A 39 -5.353 7.770 -21.960 1.00 0.00 C ATOM 655 CE2 PHE A 39 -4.558 5.651 -22.613 1.00 0.00 C ATOM 656 CZ PHE A 39 -5.581 6.539 -22.490 1.00 0.00 C ATOM 0 H PHE A 39 0.671 7.822 -21.894 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.691 9.245 -22.673 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.925 6.826 -21.466 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.606 7.715 -20.117 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.863 9.109 -21.120 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.438 5.307 -22.292 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.166 8.474 -21.860 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.740 4.672 -23.032 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.575 6.266 -22.813 1.00 0.00 H new ATOM 666 N LEU A 40 -0.033 10.486 -20.302 1.00 0.00 N ATOM 667 CA LEU A 40 0.029 11.535 -19.299 1.00 0.00 C ATOM 668 C LEU A 40 -0.932 12.660 -19.685 1.00 0.00 C ATOM 669 O LEU A 40 -1.844 12.990 -18.926 1.00 0.00 O ATOM 670 CB LEU A 40 1.473 12.000 -19.098 1.00 0.00 C ATOM 671 CG LEU A 40 2.177 11.482 -17.844 1.00 0.00 C ATOM 672 CD1 LEU A 40 2.081 12.497 -16.702 1.00 0.00 C ATOM 673 CD2 LEU A 40 1.636 10.110 -17.438 1.00 0.00 C ATOM 0 H LEU A 40 0.874 10.136 -20.609 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.296 11.156 -18.330 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.055 11.697 -19.968 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.482 13.090 -19.071 1.00 0.00 H new ATOM 0 HG LEU A 40 3.235 11.355 -18.074 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.590 12.104 -15.822 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.552 13.432 -17.006 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.033 12.679 -16.464 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.154 9.765 -16.543 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.568 10.186 -17.233 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.800 9.400 -18.249 1.00 0.00 H new ATOM 685 N GLU A 41 -0.697 13.219 -20.863 1.00 0.00 N ATOM 686 CA GLU A 41 -1.530 14.301 -21.357 1.00 0.00 C ATOM 687 C GLU A 41 -2.943 13.792 -21.648 1.00 0.00 C ATOM 688 O GLU A 41 -3.923 14.357 -21.164 1.00 0.00 O ATOM 689 CB GLU A 41 -0.912 14.944 -22.601 1.00 0.00 C ATOM 690 CG GLU A 41 -0.487 16.387 -22.318 1.00 0.00 C ATOM 691 CD GLU A 41 -0.421 17.202 -23.611 1.00 0.00 C ATOM 692 OE1 GLU A 41 0.063 16.637 -24.615 1.00 0.00 O ATOM 693 OE2 GLU A 41 -0.857 18.373 -23.566 1.00 0.00 O ATOM 0 H GLU A 41 0.059 12.942 -21.490 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.593 15.068 -20.585 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.048 14.363 -22.924 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.632 14.927 -23.419 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.193 16.849 -21.628 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.487 16.394 -21.829 1.00 0.00 H new ATOM 700 N GLU A 42 -3.004 12.730 -22.439 1.00 0.00 N ATOM 701 CA GLU A 42 -4.281 12.139 -22.800 1.00 0.00 C ATOM 702 C GLU A 42 -5.077 11.785 -21.541 1.00 0.00 C ATOM 703 O GLU A 42 -4.721 12.201 -20.440 1.00 0.00 O ATOM 704 CB GLU A 42 -4.083 10.909 -23.688 1.00 0.00 C ATOM 705 CG GLU A 42 -4.788 11.086 -25.035 1.00 0.00 C ATOM 706 CD GLU A 42 -4.213 12.279 -25.800 1.00 0.00 C ATOM 707 OE1 GLU A 42 -2.998 12.236 -26.089 1.00 0.00 O ATOM 708 OE2 GLU A 42 -5.002 13.207 -26.081 1.00 0.00 O ATOM 0 H GLU A 42 -2.190 12.264 -22.840 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.851 12.872 -23.372 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.018 10.741 -23.850 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.472 10.025 -23.183 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.677 10.180 -25.630 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.856 11.233 -24.874 1.00 0.00 H new ATOM 715 N HIS A 43 -6.139 11.021 -21.748 1.00 0.00 N ATOM 716 CA HIS A 43 -6.988 10.606 -20.644 1.00 0.00 C ATOM 717 C HIS A 43 -8.027 11.694 -20.360 1.00 0.00 C ATOM 718 O HIS A 43 -7.680 12.862 -20.191 1.00 0.00 O ATOM 719 CB HIS A 43 -6.148 10.252 -19.416 1.00 0.00 C ATOM 720 CG HIS A 43 -6.559 8.965 -18.740 1.00 0.00 C ATOM 721 ND1 HIS A 43 -5.726 7.864 -18.659 1.00 0.00 N ATOM 722 CD2 HIS A 43 -7.721 8.617 -18.117 1.00 0.00 C ATOM 723 CE1 HIS A 43 -6.366 6.900 -18.014 1.00 0.00 C ATOM 724 NE2 HIS A 43 -7.604 7.369 -17.680 1.00 0.00 N ATOM 0 H HIS A 43 -6.431 10.678 -22.663 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.528 9.699 -20.915 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -5.102 10.176 -19.714 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.216 11.067 -18.695 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -4.779 7.804 -19.033 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -8.589 9.249 -17.999 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.977 5.917 -17.792 1.00 0.00 H new ATOM 733 N PRO A 44 -9.315 11.259 -20.312 1.00 0.00 N ATOM 734 CA PRO A 44 -10.406 12.181 -20.051 1.00 0.00 C ATOM 735 C PRO A 44 -10.449 12.576 -18.572 1.00 0.00 C ATOM 736 O PRO A 44 -11.349 13.299 -18.145 1.00 0.00 O ATOM 737 CB PRO A 44 -11.659 11.450 -20.506 1.00 0.00 C ATOM 738 CG PRO A 44 -11.280 9.979 -20.572 1.00 0.00 C ATOM 739 CD PRO A 44 -9.764 9.884 -20.506 1.00 0.00 C ATOM 0 HA PRO A 44 -10.295 13.124 -20.586 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.481 11.611 -19.808 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.991 11.812 -21.479 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.733 9.431 -19.746 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.651 9.530 -21.494 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.443 9.243 -19.685 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.354 9.459 -21.422 1.00 0.00 H new ATOM 747 N GLY A 45 -9.465 12.084 -17.834 1.00 0.00 N ATOM 748 CA GLY A 45 -9.379 12.377 -16.412 1.00 0.00 C ATOM 749 C GLY A 45 -8.218 13.329 -16.119 1.00 0.00 C ATOM 750 O GLY A 45 -8.399 14.347 -15.452 1.00 0.00 O ATOM 0 H GLY A 45 -8.721 11.485 -18.193 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.314 12.822 -16.071 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -9.245 11.451 -15.853 1.00 0.00 H new ATOM 754 N GLY A 46 -7.053 12.964 -16.631 1.00 0.00 N ATOM 755 CA GLY A 46 -5.861 13.774 -16.431 1.00 0.00 C ATOM 756 C GLY A 46 -4.596 12.918 -16.520 1.00 0.00 C ATOM 757 O GLY A 46 -4.618 11.827 -17.087 1.00 0.00 O ATOM 0 H GLY A 46 -6.907 12.119 -17.184 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.824 14.564 -17.181 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.907 14.261 -15.457 1.00 0.00 H new ATOM 761 N GLU A 47 -3.522 13.447 -15.951 1.00 0.00 N ATOM 762 CA GLU A 47 -2.250 12.744 -15.960 1.00 0.00 C ATOM 763 C GLU A 47 -2.169 11.779 -14.775 1.00 0.00 C ATOM 764 O GLU A 47 -1.856 10.602 -14.950 1.00 0.00 O ATOM 765 CB GLU A 47 -1.080 13.731 -15.943 1.00 0.00 C ATOM 766 CG GLU A 47 -1.256 14.808 -17.016 1.00 0.00 C ATOM 767 CD GLU A 47 -1.267 16.205 -16.393 1.00 0.00 C ATOM 768 OE1 GLU A 47 -0.216 16.587 -15.837 1.00 0.00 O ATOM 769 OE2 GLU A 47 -2.329 16.860 -16.486 1.00 0.00 O ATOM 0 H GLU A 47 -3.507 14.352 -15.482 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.183 12.165 -16.881 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.008 14.199 -14.961 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.145 13.196 -16.110 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.448 14.737 -17.744 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.187 14.639 -17.556 1.00 0.00 H new ATOM 776 N GLU A 48 -2.454 12.312 -13.597 1.00 0.00 N ATOM 777 CA GLU A 48 -2.418 11.511 -12.384 1.00 0.00 C ATOM 778 C GLU A 48 -3.088 10.157 -12.623 1.00 0.00 C ATOM 779 O GLU A 48 -2.541 9.117 -12.260 1.00 0.00 O ATOM 780 CB GLU A 48 -3.076 12.251 -11.219 1.00 0.00 C ATOM 781 CG GLU A 48 -2.143 12.306 -10.008 1.00 0.00 C ATOM 782 CD GLU A 48 -2.271 13.645 -9.278 1.00 0.00 C ATOM 783 OE1 GLU A 48 -3.412 13.973 -8.889 1.00 0.00 O ATOM 784 OE2 GLU A 48 -1.223 14.310 -9.125 1.00 0.00 O ATOM 0 H GLU A 48 -2.711 13.289 -13.456 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.376 11.336 -12.117 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.337 13.263 -11.528 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.005 11.752 -10.944 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.380 11.491 -9.324 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.112 12.161 -10.332 1.00 0.00 H new ATOM 791 N VAL A 49 -4.264 10.213 -13.232 1.00 0.00 N ATOM 792 CA VAL A 49 -5.015 9.003 -13.522 1.00 0.00 C ATOM 793 C VAL A 49 -4.050 7.906 -13.975 1.00 0.00 C ATOM 794 O VAL A 49 -4.307 6.721 -13.764 1.00 0.00 O ATOM 795 CB VAL A 49 -6.108 9.300 -14.551 1.00 0.00 C ATOM 796 CG1 VAL A 49 -5.505 9.540 -15.937 1.00 0.00 C ATOM 797 CG2 VAL A 49 -7.144 8.175 -14.590 1.00 0.00 C ATOM 0 H VAL A 49 -4.715 11.077 -13.532 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.520 8.642 -12.626 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.618 10.214 -14.245 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.303 9.749 -16.650 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.824 10.390 -15.895 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.958 8.652 -16.255 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.910 8.411 -15.329 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.655 7.239 -14.860 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.607 8.072 -13.608 1.00 0.00 H new ATOM 807 N LEU A 50 -2.959 8.337 -14.590 1.00 0.00 N ATOM 808 CA LEU A 50 -1.954 7.407 -15.075 1.00 0.00 C ATOM 809 C LEU A 50 -0.694 7.530 -14.216 1.00 0.00 C ATOM 810 O LEU A 50 -0.109 6.525 -13.816 1.00 0.00 O ATOM 811 CB LEU A 50 -1.703 7.619 -16.569 1.00 0.00 C ATOM 812 CG LEU A 50 -2.949 7.683 -17.456 1.00 0.00 C ATOM 813 CD1 LEU A 50 -2.950 8.952 -18.308 1.00 0.00 C ATOM 814 CD2 LEU A 50 -3.078 6.420 -18.309 1.00 0.00 C ATOM 0 H LEU A 50 -2.749 9.320 -14.764 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.307 6.380 -14.978 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.143 8.546 -16.695 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.066 6.811 -16.929 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.827 7.728 -16.811 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.846 8.973 -18.929 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.939 9.827 -17.658 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.066 8.963 -18.946 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.971 6.490 -18.930 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.199 6.320 -18.946 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.156 5.548 -17.659 1.00 0.00 H new ATOM 826 N ARG A 51 -0.312 8.773 -13.957 1.00 0.00 N ATOM 827 CA ARG A 51 0.868 9.041 -13.154 1.00 0.00 C ATOM 828 C ARG A 51 0.691 8.471 -11.745 1.00 0.00 C ATOM 829 O ARG A 51 1.581 7.797 -11.227 1.00 0.00 O ATOM 830 CB ARG A 51 1.140 10.544 -13.059 1.00 0.00 C ATOM 831 CG ARG A 51 2.642 10.828 -13.027 1.00 0.00 C ATOM 832 CD ARG A 51 3.068 11.376 -11.662 1.00 0.00 C ATOM 833 NE ARG A 51 3.874 12.605 -11.839 1.00 0.00 N ATOM 834 CZ ARG A 51 4.009 13.556 -10.905 1.00 0.00 C ATOM 835 NH1 ARG A 51 3.393 13.424 -9.722 1.00 0.00 N ATOM 836 NH2 ARG A 51 4.759 14.638 -11.153 1.00 0.00 N ATOM 0 H ARG A 51 -0.800 9.605 -14.290 1.00 0.00 H new ATOM 0 HA ARG A 51 1.717 8.560 -13.640 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.688 11.053 -13.910 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.671 10.946 -12.161 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.193 9.913 -13.244 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.897 11.546 -13.807 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.188 11.593 -11.057 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.647 10.625 -11.124 1.00 0.00 H new ATOM 0 HE ARG A 51 4.357 12.736 -12.728 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.822 12.600 -9.533 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.495 14.147 -9.010 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.228 14.738 -12.053 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.861 15.362 -10.441 1.00 0.00 H new ATOM 850 N GLU A 52 -0.463 8.764 -11.163 1.00 0.00 N ATOM 851 CA GLU A 52 -0.768 8.289 -9.823 1.00 0.00 C ATOM 852 C GLU A 52 -0.689 6.762 -9.771 1.00 0.00 C ATOM 853 O GLU A 52 -0.393 6.187 -8.725 1.00 0.00 O ATOM 854 CB GLU A 52 -2.141 8.783 -9.367 1.00 0.00 C ATOM 855 CG GLU A 52 -2.047 9.494 -8.015 1.00 0.00 C ATOM 856 CD GLU A 52 -1.988 8.485 -6.868 1.00 0.00 C ATOM 857 OE1 GLU A 52 -3.008 7.786 -6.674 1.00 0.00 O ATOM 858 OE2 GLU A 52 -0.928 8.434 -6.208 1.00 0.00 O ATOM 0 H GLU A 52 -1.198 9.324 -11.594 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.026 8.695 -9.136 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.552 9.464 -10.112 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.828 7.940 -9.292 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.159 10.126 -7.994 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.908 10.149 -7.884 1.00 0.00 H new ATOM 865 N GLN A 53 -0.960 6.147 -10.914 1.00 0.00 N ATOM 866 CA GLN A 53 -0.923 4.698 -11.011 1.00 0.00 C ATOM 867 C GLN A 53 0.479 4.227 -11.401 1.00 0.00 C ATOM 868 O GLN A 53 0.881 3.116 -11.061 1.00 0.00 O ATOM 869 CB GLN A 53 -1.969 4.190 -12.007 1.00 0.00 C ATOM 870 CG GLN A 53 -1.651 4.665 -13.426 1.00 0.00 C ATOM 871 CD GLN A 53 -2.539 3.959 -14.452 1.00 0.00 C ATOM 872 OE1 GLN A 53 -2.218 2.901 -14.967 1.00 0.00 O ATOM 873 NE2 GLN A 53 -3.672 4.602 -14.719 1.00 0.00 N ATOM 0 H GLN A 53 -1.206 6.626 -11.780 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.165 4.281 -10.033 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.001 3.101 -11.983 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.957 4.544 -11.714 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.797 5.743 -13.494 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.603 4.471 -13.652 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.880 5.485 -14.252 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.333 4.212 -15.391 1.00 0.00 H new ATOM 882 N ALA A 54 1.186 5.098 -12.107 1.00 0.00 N ATOM 883 CA ALA A 54 2.536 4.785 -12.545 1.00 0.00 C ATOM 884 C ALA A 54 3.377 4.371 -11.336 1.00 0.00 C ATOM 885 O ALA A 54 3.446 5.097 -10.346 1.00 0.00 O ATOM 886 CB ALA A 54 3.126 5.989 -13.282 1.00 0.00 C ATOM 0 H ALA A 54 0.850 6.020 -12.386 1.00 0.00 H new ATOM 0 HA ALA A 54 2.529 3.948 -13.243 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.138 5.754 -13.610 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.508 6.223 -14.149 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.152 6.849 -12.612 1.00 0.00 H new ATOM 892 N GLY A 55 3.996 3.205 -11.457 1.00 0.00 N ATOM 893 CA GLY A 55 4.830 2.686 -10.386 1.00 0.00 C ATOM 894 C GLY A 55 4.325 1.323 -9.910 1.00 0.00 C ATOM 895 O GLY A 55 4.648 0.890 -8.804 1.00 0.00 O ATOM 0 H GLY A 55 3.936 2.606 -12.280 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.859 2.596 -10.733 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.835 3.388 -9.552 1.00 0.00 H new ATOM 899 N GLY A 56 3.541 0.685 -10.767 1.00 0.00 N ATOM 900 CA GLY A 56 2.989 -0.620 -10.448 1.00 0.00 C ATOM 901 C GLY A 56 1.793 -0.944 -11.345 1.00 0.00 C ATOM 902 O GLY A 56 1.444 -0.161 -12.227 1.00 0.00 O ATOM 0 H GLY A 56 3.275 1.048 -11.682 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.757 -1.383 -10.570 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.681 -0.643 -9.403 1.00 0.00 H new ATOM 906 N ASP A 57 1.197 -2.099 -11.087 1.00 0.00 N ATOM 907 CA ASP A 57 0.047 -2.535 -11.861 1.00 0.00 C ATOM 908 C ASP A 57 -1.131 -1.598 -11.589 1.00 0.00 C ATOM 909 O ASP A 57 -1.414 -1.268 -10.438 1.00 0.00 O ATOM 910 CB ASP A 57 -0.375 -3.954 -11.467 1.00 0.00 C ATOM 911 CG ASP A 57 -1.887 -4.170 -11.358 1.00 0.00 C ATOM 912 OD1 ASP A 57 -2.600 -3.651 -12.244 1.00 0.00 O ATOM 913 OD2 ASP A 57 -2.293 -4.851 -10.392 1.00 0.00 O ATOM 0 H ASP A 57 1.488 -2.745 -10.354 1.00 0.00 H new ATOM 0 HA ASP A 57 0.324 -2.520 -12.915 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.025 -4.653 -12.201 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.083 -4.201 -10.509 1.00 0.00 H new ATOM 918 N ALA A 58 -1.788 -1.197 -12.668 1.00 0.00 N ATOM 919 CA ALA A 58 -2.929 -0.304 -12.560 1.00 0.00 C ATOM 920 C ALA A 58 -4.195 -1.046 -12.994 1.00 0.00 C ATOM 921 O ALA A 58 -5.307 -0.591 -12.729 1.00 0.00 O ATOM 922 CB ALA A 58 -2.675 0.954 -13.395 1.00 0.00 C ATOM 0 H ALA A 58 -1.552 -1.474 -13.621 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.071 0.014 -11.527 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.531 1.624 -13.314 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.782 1.460 -13.028 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.530 0.675 -14.439 1.00 0.00 H new ATOM 928 N THR A 59 -3.983 -2.175 -13.654 1.00 0.00 N ATOM 929 CA THR A 59 -5.093 -2.986 -14.127 1.00 0.00 C ATOM 930 C THR A 59 -6.182 -3.073 -13.056 1.00 0.00 C ATOM 931 O THR A 59 -7.339 -2.746 -13.314 1.00 0.00 O ATOM 932 CB THR A 59 -4.539 -4.350 -14.544 1.00 0.00 C ATOM 933 OG1 THR A 59 -5.329 -4.714 -15.673 1.00 0.00 O ATOM 934 CG2 THR A 59 -4.835 -5.441 -13.514 1.00 0.00 C ATOM 0 H THR A 59 -3.059 -2.548 -13.873 1.00 0.00 H new ATOM 0 HA THR A 59 -5.571 -2.535 -14.997 1.00 0.00 H new ATOM 0 HB THR A 59 -3.462 -4.275 -14.693 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.983 -4.007 -15.856 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.421 -6.389 -13.858 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.383 -5.173 -12.559 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.913 -5.541 -13.389 1.00 0.00 H new ATOM 942 N GLU A 60 -5.775 -3.519 -11.877 1.00 0.00 N ATOM 943 CA GLU A 60 -6.702 -3.654 -10.766 1.00 0.00 C ATOM 944 C GLU A 60 -7.671 -2.470 -10.737 1.00 0.00 C ATOM 945 O GLU A 60 -8.855 -2.640 -10.451 1.00 0.00 O ATOM 946 CB GLU A 60 -5.953 -3.783 -9.439 1.00 0.00 C ATOM 947 CG GLU A 60 -4.796 -2.785 -9.362 1.00 0.00 C ATOM 948 CD GLU A 60 -5.003 -1.794 -8.214 1.00 0.00 C ATOM 949 OE1 GLU A 60 -6.169 -1.390 -8.016 1.00 0.00 O ATOM 950 OE2 GLU A 60 -3.990 -1.465 -7.560 1.00 0.00 O ATOM 0 H GLU A 60 -4.815 -3.792 -11.667 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.279 -4.567 -10.909 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.641 -3.612 -8.611 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.570 -4.798 -9.331 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.857 -3.321 -9.220 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.714 -2.244 -10.305 1.00 0.00 H new ATOM 957 N ASN A 61 -7.131 -1.298 -11.035 1.00 0.00 N ATOM 958 CA ASN A 61 -7.933 -0.086 -11.046 1.00 0.00 C ATOM 959 C ASN A 61 -8.628 0.048 -12.403 1.00 0.00 C ATOM 960 O ASN A 61 -9.847 0.207 -12.467 1.00 0.00 O ATOM 961 CB ASN A 61 -7.060 1.153 -10.836 1.00 0.00 C ATOM 962 CG ASN A 61 -7.545 1.967 -9.634 1.00 0.00 C ATOM 963 OD1 ASN A 61 -8.513 2.706 -9.701 1.00 0.00 O ATOM 964 ND2 ASN A 61 -6.819 1.790 -8.534 1.00 0.00 N ATOM 0 H ASN A 61 -6.148 -1.161 -11.271 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.661 -0.155 -10.238 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -6.024 0.851 -10.681 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -7.081 1.773 -11.732 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.061 2.288 -7.678 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.020 1.156 -8.547 1.00 0.00 H new ATOM 971 N PHE A 62 -7.822 -0.019 -13.453 1.00 0.00 N ATOM 972 CA PHE A 62 -8.345 0.093 -14.804 1.00 0.00 C ATOM 973 C PHE A 62 -9.544 -0.834 -15.007 1.00 0.00 C ATOM 974 O PHE A 62 -10.355 -0.618 -15.906 1.00 0.00 O ATOM 975 CB PHE A 62 -7.223 -0.328 -15.753 1.00 0.00 C ATOM 976 CG PHE A 62 -7.640 -1.380 -16.784 1.00 0.00 C ATOM 977 CD1 PHE A 62 -7.644 -2.698 -16.447 1.00 0.00 C ATOM 978 CD2 PHE A 62 -8.009 -0.996 -18.035 1.00 0.00 C ATOM 979 CE1 PHE A 62 -8.032 -3.673 -17.403 1.00 0.00 C ATOM 980 CE2 PHE A 62 -8.398 -1.973 -18.991 1.00 0.00 C ATOM 981 CZ PHE A 62 -8.401 -3.290 -18.655 1.00 0.00 C ATOM 0 H PHE A 62 -6.812 -0.149 -13.395 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.675 1.115 -14.992 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.855 0.554 -16.278 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.392 -0.719 -15.166 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.352 -3.002 -15.453 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -8.006 0.050 -18.302 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.034 -4.720 -17.136 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.691 -1.669 -19.985 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.696 -4.032 -19.382 1.00 0.00 H new ATOM 991 N GLU A 63 -9.620 -1.847 -14.157 1.00 0.00 N ATOM 992 CA GLU A 63 -10.706 -2.809 -14.232 1.00 0.00 C ATOM 993 C GLU A 63 -11.937 -2.278 -13.494 1.00 0.00 C ATOM 994 O GLU A 63 -13.065 -2.469 -13.943 1.00 0.00 O ATOM 995 CB GLU A 63 -10.276 -4.168 -13.676 1.00 0.00 C ATOM 996 CG GLU A 63 -9.606 -5.016 -14.758 1.00 0.00 C ATOM 997 CD GLU A 63 -10.490 -6.198 -15.156 1.00 0.00 C ATOM 998 OE1 GLU A 63 -10.360 -7.252 -14.496 1.00 0.00 O ATOM 999 OE2 GLU A 63 -11.279 -6.022 -16.111 1.00 0.00 O ATOM 0 H GLU A 63 -8.946 -2.023 -13.412 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.968 -2.950 -15.281 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.587 -4.023 -12.844 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.145 -4.695 -13.282 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.402 -4.399 -15.633 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.646 -5.382 -14.395 1.00 0.00 H new ATOM 1006 N ASP A 64 -11.676 -1.623 -12.372 1.00 0.00 N ATOM 1007 CA ASP A 64 -12.747 -1.063 -11.565 1.00 0.00 C ATOM 1008 C ASP A 64 -13.432 0.061 -12.345 1.00 0.00 C ATOM 1009 O ASP A 64 -14.602 0.359 -12.112 1.00 0.00 O ATOM 1010 CB ASP A 64 -12.205 -0.473 -10.261 1.00 0.00 C ATOM 1011 CG ASP A 64 -13.031 -0.795 -9.014 1.00 0.00 C ATOM 1012 OD1 ASP A 64 -12.853 -1.916 -8.490 1.00 0.00 O ATOM 1013 OD2 ASP A 64 -13.820 0.087 -8.612 1.00 0.00 O ATOM 0 H ASP A 64 -10.738 -1.468 -12.003 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.449 -1.864 -11.333 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.189 -0.837 -10.110 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.143 0.610 -10.368 1.00 0.00 H new ATOM 1018 N VAL A 65 -12.673 0.654 -13.254 1.00 0.00 N ATOM 1019 CA VAL A 65 -13.193 1.739 -14.068 1.00 0.00 C ATOM 1020 C VAL A 65 -13.679 1.179 -15.407 1.00 0.00 C ATOM 1021 O VAL A 65 -14.108 1.932 -16.280 1.00 0.00 O ATOM 1022 CB VAL A 65 -12.130 2.830 -14.228 1.00 0.00 C ATOM 1023 CG1 VAL A 65 -10.823 2.424 -13.546 1.00 0.00 C ATOM 1024 CG2 VAL A 65 -11.900 3.157 -15.705 1.00 0.00 C ATOM 0 H VAL A 65 -11.703 0.404 -13.445 1.00 0.00 H new ATOM 0 HA VAL A 65 -14.049 2.206 -13.580 1.00 0.00 H new ATOM 0 HB VAL A 65 -12.497 3.732 -13.738 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.085 3.216 -13.674 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -11.002 2.263 -12.483 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.449 1.503 -13.994 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.141 3.934 -15.792 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.564 2.262 -16.228 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.831 3.508 -16.149 1.00 0.00 H new ATOM 1034 N GLY A 66 -13.596 -0.138 -15.526 1.00 0.00 N ATOM 1035 CA GLY A 66 -14.022 -0.808 -16.742 1.00 0.00 C ATOM 1036 C GLY A 66 -13.661 0.017 -17.978 1.00 0.00 C ATOM 1037 O GLY A 66 -14.478 0.791 -18.472 1.00 0.00 O ATOM 0 H GLY A 66 -13.240 -0.759 -14.799 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.551 -1.789 -16.805 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -15.099 -0.973 -16.712 1.00 0.00 H new ATOM 1041 N HIS A 67 -12.435 -0.177 -18.442 1.00 0.00 N ATOM 1042 CA HIS A 67 -11.953 0.540 -19.612 1.00 0.00 C ATOM 1043 C HIS A 67 -12.513 -0.112 -20.878 1.00 0.00 C ATOM 1044 O HIS A 67 -13.242 -1.100 -20.803 1.00 0.00 O ATOM 1045 CB HIS A 67 -10.426 0.618 -19.611 1.00 0.00 C ATOM 1046 CG HIS A 67 -9.867 1.699 -18.716 1.00 0.00 C ATOM 1047 ND1 HIS A 67 -9.806 1.575 -17.340 1.00 0.00 N ATOM 1048 CD2 HIS A 67 -9.344 2.922 -19.016 1.00 0.00 C ATOM 1049 CE1 HIS A 67 -9.269 2.680 -16.843 1.00 0.00 C ATOM 1050 NE2 HIS A 67 -8.984 3.514 -17.884 1.00 0.00 N ATOM 0 H HIS A 67 -11.760 -0.821 -18.029 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.310 1.569 -19.586 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -10.023 -0.345 -19.296 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -10.080 0.790 -20.630 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -10.121 0.770 -16.799 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -9.240 3.338 -20.007 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.089 2.884 -15.798 1.00 0.00 H new ATOM 1059 N SER A 68 -12.153 0.470 -22.012 1.00 0.00 N ATOM 1060 CA SER A 68 -12.609 -0.041 -23.295 1.00 0.00 C ATOM 1061 C SER A 68 -11.468 -0.769 -24.003 1.00 0.00 C ATOM 1062 O SER A 68 -10.298 -0.449 -23.798 1.00 0.00 O ATOM 1063 CB SER A 68 -13.148 1.087 -24.176 1.00 0.00 C ATOM 1064 OG SER A 68 -12.125 1.680 -24.971 1.00 0.00 O ATOM 0 H SER A 68 -11.551 1.291 -22.070 1.00 0.00 H new ATOM 0 HA SER A 68 -13.422 -0.744 -23.114 1.00 0.00 H new ATOM 0 HB2 SER A 68 -13.931 0.697 -24.826 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.607 1.850 -23.547 1.00 0.00 H new ATOM 0 HG SER A 68 -11.837 2.521 -24.559 1.00 0.00 H new ATOM 1070 N THR A 69 -11.845 -1.738 -24.825 1.00 0.00 N ATOM 1071 CA THR A 69 -10.868 -2.515 -25.567 1.00 0.00 C ATOM 1072 C THR A 69 -9.973 -1.593 -26.398 1.00 0.00 C ATOM 1073 O THR A 69 -8.838 -1.946 -26.716 1.00 0.00 O ATOM 1074 CB THR A 69 -11.622 -3.548 -26.406 1.00 0.00 C ATOM 1075 OG1 THR A 69 -11.935 -4.585 -25.481 1.00 0.00 O ATOM 1076 CG2 THR A 69 -10.725 -4.230 -27.441 1.00 0.00 C ATOM 0 H THR A 69 -12.816 -2.002 -24.993 1.00 0.00 H new ATOM 0 HA THR A 69 -10.196 -3.050 -24.895 1.00 0.00 H new ATOM 0 HB THR A 69 -12.457 -3.064 -26.913 1.00 0.00 H new ATOM 0 HG1 THR A 69 -12.427 -5.297 -25.941 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.310 -4.953 -28.009 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.317 -3.481 -28.119 1.00 0.00 H new ATOM 0 HG23 THR A 69 -9.908 -4.743 -26.933 1.00 0.00 H new ATOM 1084 N ASP A 70 -10.519 -0.431 -26.727 1.00 0.00 N ATOM 1085 CA ASP A 70 -9.784 0.543 -27.515 1.00 0.00 C ATOM 1086 C ASP A 70 -8.684 1.165 -26.653 1.00 0.00 C ATOM 1087 O ASP A 70 -7.551 1.324 -27.105 1.00 0.00 O ATOM 1088 CB ASP A 70 -10.702 1.670 -27.993 1.00 0.00 C ATOM 1089 CG ASP A 70 -10.045 2.689 -28.925 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -8.799 2.643 -29.028 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -10.801 3.493 -29.512 1.00 0.00 O ATOM 0 H ASP A 70 -11.461 -0.143 -26.462 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.363 0.029 -28.379 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.556 1.229 -28.506 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.091 2.196 -27.121 1.00 0.00 H new ATOM 1096 N ALA A 71 -9.056 1.502 -25.426 1.00 0.00 N ATOM 1097 CA ALA A 71 -8.115 2.103 -24.496 1.00 0.00 C ATOM 1098 C ALA A 71 -6.937 1.149 -24.282 1.00 0.00 C ATOM 1099 O ALA A 71 -5.780 1.562 -24.342 1.00 0.00 O ATOM 1100 CB ALA A 71 -8.834 2.445 -23.191 1.00 0.00 C ATOM 0 H ALA A 71 -9.997 1.370 -25.055 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.716 3.033 -24.900 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.128 2.896 -22.494 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.642 3.148 -23.394 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.246 1.536 -22.753 1.00 0.00 H new ATOM 1106 N ARG A 72 -7.273 -0.108 -24.037 1.00 0.00 N ATOM 1107 CA ARG A 72 -6.259 -1.124 -23.812 1.00 0.00 C ATOM 1108 C ARG A 72 -5.356 -1.253 -25.043 1.00 0.00 C ATOM 1109 O ARG A 72 -4.141 -1.391 -24.912 1.00 0.00 O ATOM 1110 CB ARG A 72 -6.895 -2.482 -23.513 1.00 0.00 C ATOM 1111 CG ARG A 72 -7.915 -2.370 -22.376 1.00 0.00 C ATOM 1112 CD ARG A 72 -8.505 -3.739 -22.033 1.00 0.00 C ATOM 1113 NE ARG A 72 -7.428 -4.663 -21.607 1.00 0.00 N ATOM 1114 CZ ARG A 72 -7.544 -5.997 -21.598 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -8.687 -6.574 -21.992 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -6.515 -6.756 -21.196 1.00 0.00 N ATOM 0 H ARG A 72 -8.234 -0.447 -23.989 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.667 -0.816 -22.951 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.384 -2.864 -24.409 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.120 -3.199 -23.242 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.436 -1.945 -21.494 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.714 -1.688 -22.665 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.243 -3.637 -21.238 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.024 -4.148 -22.900 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.543 -4.258 -21.302 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.470 -5.997 -22.299 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -8.774 -7.590 -21.985 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -5.644 -6.317 -20.897 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.603 -7.772 -21.189 1.00 0.00 H new ATOM 1130 N GLU A 73 -5.986 -1.204 -26.207 1.00 0.00 N ATOM 1131 CA GLU A 73 -5.256 -1.314 -27.458 1.00 0.00 C ATOM 1132 C GLU A 73 -4.339 -0.103 -27.645 1.00 0.00 C ATOM 1133 O GLU A 73 -3.184 -0.249 -28.045 1.00 0.00 O ATOM 1134 CB GLU A 73 -6.213 -1.464 -28.641 1.00 0.00 C ATOM 1135 CG GLU A 73 -5.932 -2.754 -29.413 1.00 0.00 C ATOM 1136 CD GLU A 73 -6.601 -2.726 -30.789 1.00 0.00 C ATOM 1137 OE1 GLU A 73 -7.827 -2.959 -30.829 1.00 0.00 O ATOM 1138 OE2 GLU A 73 -5.869 -2.472 -31.770 1.00 0.00 O ATOM 0 H GLU A 73 -6.994 -1.090 -26.310 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.638 -2.211 -27.418 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.242 -1.467 -28.282 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.110 -0.607 -29.307 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.856 -2.885 -29.530 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.297 -3.609 -28.844 1.00 0.00 H new ATOM 1145 N LEU A 74 -4.886 1.066 -27.346 1.00 0.00 N ATOM 1146 CA LEU A 74 -4.133 2.301 -27.476 1.00 0.00 C ATOM 1147 C LEU A 74 -2.832 2.188 -26.678 1.00 0.00 C ATOM 1148 O LEU A 74 -1.783 2.643 -27.127 1.00 0.00 O ATOM 1149 CB LEU A 74 -4.995 3.501 -27.079 1.00 0.00 C ATOM 1150 CG LEU A 74 -4.696 4.118 -25.712 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -3.643 5.222 -25.827 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -5.979 4.618 -25.043 1.00 0.00 C ATOM 0 H LEU A 74 -5.843 1.184 -27.014 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.856 2.468 -28.517 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.878 4.274 -27.838 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.041 3.194 -27.096 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.280 3.341 -25.071 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.449 5.644 -24.841 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.721 4.804 -26.231 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.008 6.005 -26.491 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.738 5.052 -24.073 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.447 5.375 -25.673 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.667 3.784 -24.907 1.00 0.00 H new ATOM 1164 N SER A 75 -2.947 1.577 -25.508 1.00 0.00 N ATOM 1165 CA SER A 75 -1.794 1.397 -24.641 1.00 0.00 C ATOM 1166 C SER A 75 -0.713 0.595 -25.369 1.00 0.00 C ATOM 1167 O SER A 75 0.476 0.867 -25.213 1.00 0.00 O ATOM 1168 CB SER A 75 -2.188 0.698 -23.339 1.00 0.00 C ATOM 1169 OG SER A 75 -3.601 0.567 -23.209 1.00 0.00 O ATOM 0 H SER A 75 -3.820 1.200 -25.140 1.00 0.00 H new ATOM 0 HA SER A 75 -1.399 2.381 -24.388 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.728 -0.289 -23.304 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.797 1.262 -22.492 1.00 0.00 H new ATOM 0 HG SER A 75 -3.870 -0.341 -23.462 1.00 0.00 H new ATOM 1175 N LYS A 76 -1.166 -0.376 -26.148 1.00 0.00 N ATOM 1176 CA LYS A 76 -0.252 -1.220 -26.900 1.00 0.00 C ATOM 1177 C LYS A 76 0.572 -0.350 -27.850 1.00 0.00 C ATOM 1178 O LYS A 76 1.552 -0.815 -28.431 1.00 0.00 O ATOM 1179 CB LYS A 76 -1.017 -2.345 -27.602 1.00 0.00 C ATOM 1180 CG LYS A 76 -0.883 -2.232 -29.121 1.00 0.00 C ATOM 1181 CD LYS A 76 -1.731 -3.292 -29.827 1.00 0.00 C ATOM 1182 CE LYS A 76 -2.282 -2.763 -31.151 1.00 0.00 C ATOM 1183 NZ LYS A 76 -3.190 -3.754 -31.769 1.00 0.00 N ATOM 0 H LYS A 76 -2.154 -0.597 -26.275 1.00 0.00 H new ATOM 0 HA LYS A 76 0.451 -1.714 -26.229 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.636 -3.311 -27.270 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.070 -2.304 -27.322 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.194 -1.238 -29.444 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.162 -2.348 -29.407 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.129 -4.182 -30.010 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.555 -3.593 -29.180 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.816 -1.828 -30.981 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.459 -2.541 -31.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.868 -3.964 -32.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.186 -4.628 -31.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -4.155 -3.368 -31.802 1.00 0.00 H new ATOM 1197 N THR A 77 0.146 0.898 -27.979 1.00 0.00 N ATOM 1198 CA THR A 77 0.834 1.837 -28.849 1.00 0.00 C ATOM 1199 C THR A 77 2.149 2.291 -28.213 1.00 0.00 C ATOM 1200 O THR A 77 3.167 2.398 -28.893 1.00 0.00 O ATOM 1201 CB THR A 77 -0.125 2.991 -29.151 1.00 0.00 C ATOM 1202 OG1 THR A 77 0.347 3.521 -30.386 1.00 0.00 O ATOM 1203 CG2 THR A 77 0.026 4.151 -28.164 1.00 0.00 C ATOM 0 H THR A 77 -0.667 1.281 -27.496 1.00 0.00 H new ATOM 0 HA THR A 77 1.112 1.369 -29.794 1.00 0.00 H new ATOM 0 HB THR A 77 -1.152 2.626 -29.127 1.00 0.00 H new ATOM 0 HG1 THR A 77 -0.219 4.273 -30.657 1.00 0.00 H new ATOM 0 HG21 THR A 77 -0.677 4.943 -28.423 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.181 3.798 -27.154 1.00 0.00 H new ATOM 0 HG23 THR A 77 1.043 4.539 -28.212 1.00 0.00 H new ATOM 1211 N PHE A 78 2.083 2.544 -26.913 1.00 0.00 N ATOM 1212 CA PHE A 78 3.256 2.984 -26.177 1.00 0.00 C ATOM 1213 C PHE A 78 3.748 1.891 -25.226 1.00 0.00 C ATOM 1214 O PHE A 78 4.520 2.163 -24.308 1.00 0.00 O ATOM 1215 CB PHE A 78 2.837 4.206 -25.357 1.00 0.00 C ATOM 1216 CG PHE A 78 3.638 5.471 -25.672 1.00 0.00 C ATOM 1217 CD1 PHE A 78 3.234 6.300 -26.672 1.00 0.00 C ATOM 1218 CD2 PHE A 78 4.753 5.766 -24.952 1.00 0.00 C ATOM 1219 CE1 PHE A 78 3.978 7.473 -26.965 1.00 0.00 C ATOM 1220 CE2 PHE A 78 5.497 6.941 -25.246 1.00 0.00 C ATOM 1221 CZ PHE A 78 5.092 7.770 -26.245 1.00 0.00 C ATOM 0 H PHE A 78 1.236 2.453 -26.352 1.00 0.00 H new ATOM 0 HA PHE A 78 4.065 3.217 -26.870 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.780 4.404 -25.534 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.945 3.974 -24.297 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.348 6.066 -27.243 1.00 0.00 H new ATOM 0 HD2 PHE A 78 5.073 5.108 -24.157 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.659 8.130 -27.761 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.384 7.175 -24.676 1.00 0.00 H new ATOM 0 HZ PHE A 78 5.655 8.664 -26.466 1.00 0.00 H new ATOM 1231 N ILE A 79 3.280 0.678 -25.479 1.00 0.00 N ATOM 1232 CA ILE A 79 3.662 -0.458 -24.658 1.00 0.00 C ATOM 1233 C ILE A 79 5.187 -0.535 -24.579 1.00 0.00 C ATOM 1234 O ILE A 79 5.865 -0.556 -25.605 1.00 0.00 O ATOM 1235 CB ILE A 79 3.007 -1.741 -25.175 1.00 0.00 C ATOM 1236 CG1 ILE A 79 1.884 -2.198 -24.243 1.00 0.00 C ATOM 1237 CG2 ILE A 79 4.051 -2.837 -25.399 1.00 0.00 C ATOM 1238 CD1 ILE A 79 1.538 -3.670 -24.483 1.00 0.00 C ATOM 0 H ILE A 79 2.639 0.457 -26.241 1.00 0.00 H new ATOM 0 HA ILE A 79 3.295 -0.330 -23.639 1.00 0.00 H new ATOM 0 HB ILE A 79 2.553 -1.527 -26.143 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.187 -2.056 -23.206 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.999 -1.582 -24.404 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.560 -3.738 -25.766 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.783 -2.498 -26.132 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.555 -3.057 -24.458 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.737 -3.970 -23.808 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.212 -3.804 -25.515 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.418 -4.286 -24.298 1.00 0.00 H new ATOM 1250 N ILE A 80 5.685 -0.574 -23.352 1.00 0.00 N ATOM 1251 CA ILE A 80 7.119 -0.649 -23.127 1.00 0.00 C ATOM 1252 C ILE A 80 7.546 -2.117 -23.063 1.00 0.00 C ATOM 1253 O ILE A 80 8.557 -2.499 -23.651 1.00 0.00 O ATOM 1254 CB ILE A 80 7.510 0.159 -21.887 1.00 0.00 C ATOM 1255 CG1 ILE A 80 6.269 0.593 -21.102 1.00 0.00 C ATOM 1256 CG2 ILE A 80 8.395 1.349 -22.265 1.00 0.00 C ATOM 1257 CD1 ILE A 80 6.657 1.449 -19.896 1.00 0.00 C ATOM 0 H ILE A 80 5.121 -0.555 -22.502 1.00 0.00 H new ATOM 0 HA ILE A 80 7.658 -0.196 -23.959 1.00 0.00 H new ATOM 0 HB ILE A 80 8.098 -0.483 -21.231 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.601 1.157 -21.753 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.720 -0.287 -20.767 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.659 1.906 -21.366 1.00 0.00 H new ATOM 0 HG22 ILE A 80 9.303 0.988 -22.748 1.00 0.00 H new ATOM 0 HG23 ILE A 80 7.854 2.001 -22.951 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.758 1.744 -19.355 1.00 0.00 H new ATOM 0 HD12 ILE A 80 7.306 0.874 -19.235 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.185 2.340 -20.237 1.00 0.00 H new ATOM 1269 N GLY A 81 6.754 -2.900 -22.345 1.00 0.00 N ATOM 1270 CA GLY A 81 7.037 -4.317 -22.197 1.00 0.00 C ATOM 1271 C GLY A 81 5.899 -5.030 -21.462 1.00 0.00 C ATOM 1272 O GLY A 81 4.726 -4.773 -21.731 1.00 0.00 O ATOM 0 H GLY A 81 5.916 -2.579 -21.859 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.179 -4.768 -23.179 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.969 -4.450 -21.648 1.00 0.00 H new ATOM 1276 N GLU A 82 6.286 -5.911 -20.552 1.00 0.00 N ATOM 1277 CA GLU A 82 5.312 -6.663 -19.778 1.00 0.00 C ATOM 1278 C GLU A 82 5.915 -7.088 -18.438 1.00 0.00 C ATOM 1279 O GLU A 82 7.118 -6.943 -18.219 1.00 0.00 O ATOM 1280 CB GLU A 82 4.806 -7.876 -20.562 1.00 0.00 C ATOM 1281 CG GLU A 82 4.844 -7.609 -22.067 1.00 0.00 C ATOM 1282 CD GLU A 82 4.473 -8.867 -22.855 1.00 0.00 C ATOM 1283 OE1 GLU A 82 4.833 -9.964 -22.376 1.00 0.00 O ATOM 1284 OE2 GLU A 82 3.840 -8.703 -23.920 1.00 0.00 O ATOM 0 H GLU A 82 7.260 -6.121 -20.333 1.00 0.00 H new ATOM 0 HA GLU A 82 4.456 -6.018 -19.581 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.419 -8.747 -20.328 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.787 -8.112 -20.256 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.153 -6.803 -22.315 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.840 -7.275 -22.356 1.00 0.00 H new ATOM 1291 N LEU A 83 5.052 -7.605 -17.574 1.00 0.00 N ATOM 1292 CA LEU A 83 5.485 -8.052 -16.261 1.00 0.00 C ATOM 1293 C LEU A 83 6.185 -9.406 -16.394 1.00 0.00 C ATOM 1294 O LEU A 83 5.615 -10.353 -16.935 1.00 0.00 O ATOM 1295 CB LEU A 83 4.308 -8.061 -15.283 1.00 0.00 C ATOM 1296 CG LEU A 83 4.642 -8.424 -13.836 1.00 0.00 C ATOM 1297 CD1 LEU A 83 6.153 -8.394 -13.597 1.00 0.00 C ATOM 1298 CD2 LEU A 83 3.888 -7.522 -12.855 1.00 0.00 C ATOM 0 H LEU A 83 4.056 -7.724 -17.758 1.00 0.00 H new ATOM 0 HA LEU A 83 6.212 -7.356 -15.842 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.846 -7.074 -15.292 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.561 -8.765 -15.650 1.00 0.00 H new ATOM 0 HG LEU A 83 4.308 -9.446 -13.655 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.363 -8.656 -12.560 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.640 -9.111 -14.258 1.00 0.00 H new ATOM 0 HD13 LEU A 83 6.534 -7.394 -13.803 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.144 -7.802 -11.833 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.168 -6.483 -13.028 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.815 -7.638 -13.005 1.00 0.00 H new ATOM 1310 N HIS A 84 7.408 -9.457 -15.889 1.00 0.00 N ATOM 1311 CA HIS A 84 8.190 -10.680 -15.944 1.00 0.00 C ATOM 1312 C HIS A 84 7.665 -11.672 -14.906 1.00 0.00 C ATOM 1313 O HIS A 84 6.669 -11.407 -14.237 1.00 0.00 O ATOM 1314 CB HIS A 84 9.682 -10.379 -15.777 1.00 0.00 C ATOM 1315 CG HIS A 84 10.546 -10.917 -16.892 1.00 0.00 C ATOM 1316 ND1 HIS A 84 10.040 -11.266 -18.131 1.00 0.00 N ATOM 1317 CD2 HIS A 84 11.888 -11.159 -16.941 1.00 0.00 C ATOM 1318 CE1 HIS A 84 11.039 -11.699 -18.885 1.00 0.00 C ATOM 1319 NE2 HIS A 84 12.183 -11.632 -18.146 1.00 0.00 N ATOM 0 H HIS A 84 7.877 -8.671 -15.439 1.00 0.00 H new ATOM 0 HA HIS A 84 8.080 -11.143 -16.925 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.819 -9.300 -15.713 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.023 -10.800 -14.831 1.00 0.00 H new ATOM 0 HD2 HIS A 84 12.590 -10.994 -16.137 1.00 0.00 H new ATOM 0 HE1 HIS A 84 10.961 -12.044 -19.905 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.113 -11.901 -18.466 1.00 0.00 H new ATOM 1328 N PRO A 85 8.379 -12.826 -14.800 1.00 0.00 N ATOM 1329 CA PRO A 85 7.995 -13.860 -13.853 1.00 0.00 C ATOM 1330 C PRO A 85 8.365 -13.460 -12.424 1.00 0.00 C ATOM 1331 O PRO A 85 8.325 -14.286 -11.514 1.00 0.00 O ATOM 1332 CB PRO A 85 8.716 -15.113 -14.326 1.00 0.00 C ATOM 1333 CG PRO A 85 9.836 -14.632 -15.235 1.00 0.00 C ATOM 1334 CD PRO A 85 9.565 -13.174 -15.576 1.00 0.00 C ATOM 0 HA PRO A 85 6.918 -14.024 -13.822 1.00 0.00 H new ATOM 0 HB2 PRO A 85 9.113 -15.677 -13.482 1.00 0.00 H new ATOM 0 HB3 PRO A 85 8.036 -15.776 -14.861 1.00 0.00 H new ATOM 0 HG2 PRO A 85 10.801 -14.735 -14.739 1.00 0.00 H new ATOM 0 HG3 PRO A 85 9.877 -15.235 -16.142 1.00 0.00 H new ATOM 0 HD2 PRO A 85 10.412 -12.541 -15.310 1.00 0.00 H new ATOM 0 HD3 PRO A 85 9.392 -13.043 -16.644 1.00 0.00 H new ATOM 1342 N ASP A 86 8.718 -12.192 -12.272 1.00 0.00 N ATOM 1343 CA ASP A 86 9.094 -11.672 -10.968 1.00 0.00 C ATOM 1344 C ASP A 86 7.831 -11.347 -10.168 1.00 0.00 C ATOM 1345 O ASP A 86 7.860 -11.324 -8.939 1.00 0.00 O ATOM 1346 CB ASP A 86 9.912 -10.385 -11.104 1.00 0.00 C ATOM 1347 CG ASP A 86 9.753 -9.394 -9.949 1.00 0.00 C ATOM 1348 OD1 ASP A 86 10.214 -9.739 -8.839 1.00 0.00 O ATOM 1349 OD2 ASP A 86 9.175 -8.315 -10.202 1.00 0.00 O ATOM 0 H ASP A 86 8.752 -11.510 -13.030 1.00 0.00 H new ATOM 0 HA ASP A 86 9.693 -12.430 -10.463 1.00 0.00 H new ATOM 0 HB2 ASP A 86 10.966 -10.649 -11.194 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.628 -9.888 -12.031 1.00 0.00 H new ATOM 1354 N ASP A 87 6.752 -11.106 -10.898 1.00 0.00 N ATOM 1355 CA ASP A 87 5.481 -10.784 -10.272 1.00 0.00 C ATOM 1356 C ASP A 87 4.367 -10.874 -11.317 1.00 0.00 C ATOM 1357 O ASP A 87 3.770 -9.862 -11.681 1.00 0.00 O ATOM 1358 CB ASP A 87 5.489 -9.362 -9.710 1.00 0.00 C ATOM 1359 CG ASP A 87 5.902 -9.250 -8.240 1.00 0.00 C ATOM 1360 OD1 ASP A 87 7.128 -9.271 -7.992 1.00 0.00 O ATOM 1361 OD2 ASP A 87 4.984 -9.145 -7.399 1.00 0.00 O ATOM 0 H ASP A 87 6.732 -11.127 -11.918 1.00 0.00 H new ATOM 0 HA ASP A 87 5.316 -11.491 -9.459 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.167 -8.754 -10.310 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.492 -8.936 -9.825 1.00 0.00 H new ATOM 1366 N ARG A 88 4.119 -12.095 -11.768 1.00 0.00 N ATOM 1367 CA ARG A 88 3.086 -12.330 -12.762 1.00 0.00 C ATOM 1368 C ARG A 88 1.719 -12.458 -12.087 1.00 0.00 C ATOM 1369 O ARG A 88 0.955 -11.495 -12.034 1.00 0.00 O ATOM 1370 CB ARG A 88 3.372 -13.600 -13.564 1.00 0.00 C ATOM 1371 CG ARG A 88 4.617 -13.428 -14.437 1.00 0.00 C ATOM 1372 CD ARG A 88 4.315 -12.560 -15.659 1.00 0.00 C ATOM 1373 NE ARG A 88 3.187 -13.138 -16.424 1.00 0.00 N ATOM 1374 CZ ARG A 88 3.295 -14.196 -17.239 1.00 0.00 C ATOM 1375 NH1 ARG A 88 4.482 -14.799 -17.398 1.00 0.00 N ATOM 1376 NH2 ARG A 88 2.219 -14.653 -17.892 1.00 0.00 N ATOM 0 H ARG A 88 4.616 -12.932 -11.463 1.00 0.00 H new ATOM 0 HA ARG A 88 3.081 -11.478 -13.442 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.514 -14.440 -12.884 1.00 0.00 H new ATOM 0 HB3 ARG A 88 2.514 -13.839 -14.192 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.416 -12.972 -13.852 1.00 0.00 H new ATOM 0 HG3 ARG A 88 4.976 -14.405 -14.760 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.069 -11.546 -15.343 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.198 -12.491 -16.294 1.00 0.00 H new ATOM 0 HE ARG A 88 2.270 -12.703 -16.324 1.00 0.00 H new ATOM 0 HH11 ARG A 88 5.301 -14.452 -16.899 1.00 0.00 H new ATOM 0 HH12 ARG A 88 4.566 -15.605 -18.018 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.316 -14.196 -17.769 1.00 0.00 H new ATOM 0 HH22 ARG A 88 2.303 -15.459 -18.512 1.00 0.00 H new ATOM 1390 N SER A 89 1.450 -13.655 -11.589 1.00 0.00 N ATOM 1391 CA SER A 89 0.188 -13.923 -10.921 1.00 0.00 C ATOM 1392 C SER A 89 0.007 -12.963 -9.743 1.00 0.00 C ATOM 1393 O SER A 89 -1.071 -12.894 -9.154 1.00 0.00 O ATOM 1394 CB SER A 89 0.115 -15.374 -10.438 1.00 0.00 C ATOM 1395 OG SER A 89 -1.206 -15.743 -10.054 1.00 0.00 O ATOM 0 H SER A 89 2.085 -14.452 -11.635 1.00 0.00 H new ATOM 0 HA SER A 89 -0.618 -13.767 -11.638 1.00 0.00 H new ATOM 0 HB2 SER A 89 0.461 -16.038 -11.231 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.789 -15.509 -9.592 1.00 0.00 H new ATOM 0 HG SER A 89 -1.648 -14.979 -9.627 1.00 0.00 H new ATOM 1401 N LYS A 90 1.078 -12.248 -9.433 1.00 0.00 N ATOM 1402 CA LYS A 90 1.052 -11.295 -8.336 1.00 0.00 C ATOM 1403 C LYS A 90 0.179 -10.101 -8.725 1.00 0.00 C ATOM 1404 O LYS A 90 -0.438 -9.471 -7.866 1.00 0.00 O ATOM 1405 CB LYS A 90 2.474 -10.910 -7.926 1.00 0.00 C ATOM 1406 CG LYS A 90 2.997 -11.835 -6.825 1.00 0.00 C ATOM 1407 CD LYS A 90 4.426 -12.290 -7.126 1.00 0.00 C ATOM 1408 CE LYS A 90 4.989 -13.125 -5.973 1.00 0.00 C ATOM 1409 NZ LYS A 90 4.972 -14.565 -6.321 1.00 0.00 N ATOM 0 H LYS A 90 1.971 -12.309 -9.923 1.00 0.00 H new ATOM 0 HA LYS A 90 0.602 -11.745 -7.451 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.133 -10.962 -8.793 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.488 -9.878 -7.576 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.971 -11.317 -5.866 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.346 -12.704 -6.735 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.439 -12.876 -8.045 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.061 -11.420 -7.294 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.009 -12.810 -5.752 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.400 -12.955 -5.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.357 -15.118 -5.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.994 -14.865 -6.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.553 -14.724 -7.169 1.00 0.00 H new ATOM 1423 N ILE A 91 0.154 -9.823 -10.020 1.00 0.00 N ATOM 1424 CA ILE A 91 -0.634 -8.716 -10.533 1.00 0.00 C ATOM 1425 C ILE A 91 -1.624 -9.239 -11.576 1.00 0.00 C ATOM 1426 O ILE A 91 -2.733 -8.719 -11.699 1.00 0.00 O ATOM 1427 CB ILE A 91 0.281 -7.605 -11.057 1.00 0.00 C ATOM 1428 CG1 ILE A 91 0.447 -7.703 -12.575 1.00 0.00 C ATOM 1429 CG2 ILE A 91 1.628 -7.617 -10.332 1.00 0.00 C ATOM 1430 CD1 ILE A 91 1.123 -6.450 -13.133 1.00 0.00 C ATOM 0 H ILE A 91 0.667 -10.346 -10.730 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.222 -8.265 -9.734 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.190 -6.645 -10.845 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.041 -8.583 -12.824 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.528 -7.834 -13.044 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.259 -6.819 -10.723 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.468 -7.464 -9.265 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.118 -8.577 -10.491 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.229 -6.545 -14.214 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.514 -5.575 -12.903 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.108 -6.336 -12.680 1.00 0.00 H new ATOM 1442 N THR A 92 -1.189 -10.260 -12.298 1.00 0.00 N ATOM 1443 CA THR A 92 -2.024 -10.859 -13.327 1.00 0.00 C ATOM 1444 C THR A 92 -3.503 -10.696 -12.973 1.00 0.00 C ATOM 1445 O THR A 92 -3.881 -10.792 -11.806 1.00 0.00 O ATOM 1446 CB THR A 92 -1.596 -12.318 -13.492 1.00 0.00 C ATOM 1447 OG1 THR A 92 -1.796 -12.585 -14.877 1.00 0.00 O ATOM 1448 CG2 THR A 92 -2.543 -13.291 -12.784 1.00 0.00 C ATOM 0 H THR A 92 -0.269 -10.689 -12.192 1.00 0.00 H new ATOM 0 HA THR A 92 -1.894 -10.357 -14.286 1.00 0.00 H new ATOM 0 HB THR A 92 -0.586 -12.445 -13.101 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.541 -13.511 -15.072 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.193 -14.313 -12.933 1.00 0.00 H new ATOM 0 HG22 THR A 92 -2.565 -13.067 -11.718 1.00 0.00 H new ATOM 0 HG23 THR A 92 -3.546 -13.187 -13.197 1.00 0.00 H new ATOM 1456 N LYS A 93 -4.302 -10.454 -14.002 1.00 0.00 N ATOM 1457 CA LYS A 93 -5.731 -10.276 -13.816 1.00 0.00 C ATOM 1458 C LYS A 93 -6.467 -10.744 -15.072 1.00 0.00 C ATOM 1459 O LYS A 93 -6.724 -9.951 -15.977 1.00 0.00 O ATOM 1460 CB LYS A 93 -6.046 -8.831 -13.420 1.00 0.00 C ATOM 1461 CG LYS A 93 -7.055 -8.784 -12.272 1.00 0.00 C ATOM 1462 CD LYS A 93 -6.347 -8.640 -10.924 1.00 0.00 C ATOM 1463 CE LYS A 93 -6.570 -9.877 -10.053 1.00 0.00 C ATOM 1464 NZ LYS A 93 -5.337 -10.214 -9.306 1.00 0.00 N ATOM 0 H LYS A 93 -3.986 -10.377 -14.969 1.00 0.00 H new ATOM 0 HA LYS A 93 -6.086 -10.892 -12.990 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -5.128 -8.323 -13.123 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -6.444 -8.293 -14.280 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.739 -7.948 -12.418 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -7.657 -9.693 -12.275 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -5.279 -8.491 -11.084 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -6.718 -7.755 -10.407 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -7.387 -9.695 -9.355 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -6.866 -10.720 -10.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -5.525 -11.014 -8.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.585 -10.474 -9.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -5.034 -9.391 -8.747 1.00 0.00 H new ATOM 1478 N PRO A 94 -6.794 -12.063 -15.089 1.00 0.00 N ATOM 1479 CA PRO A 94 -7.496 -12.646 -16.220 1.00 0.00 C ATOM 1480 C PRO A 94 -8.973 -12.245 -16.216 1.00 0.00 C ATOM 1481 O PRO A 94 -9.454 -11.623 -17.163 1.00 0.00 O ATOM 1482 CB PRO A 94 -7.288 -14.146 -16.083 1.00 0.00 C ATOM 1483 CG PRO A 94 -6.877 -14.379 -14.637 1.00 0.00 C ATOM 1484 CD PRO A 94 -6.506 -13.033 -14.036 1.00 0.00 C ATOM 0 HA PRO A 94 -7.116 -12.290 -17.178 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -8.201 -14.691 -16.322 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -6.518 -14.498 -16.770 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -7.693 -14.835 -14.077 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -6.032 -15.066 -14.586 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.088 -12.827 -13.138 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.455 -13.004 -13.748 1.00 0.00 H new ATOM 1492 N SER A 95 -9.650 -12.617 -15.140 1.00 0.00 N ATOM 1493 CA SER A 95 -11.062 -12.304 -15.001 1.00 0.00 C ATOM 1494 C SER A 95 -11.497 -12.488 -13.545 1.00 0.00 C ATOM 1495 O SER A 95 -11.408 -13.586 -13.001 1.00 0.00 O ATOM 1496 CB SER A 95 -11.915 -13.176 -15.924 1.00 0.00 C ATOM 1497 OG SER A 95 -11.864 -14.552 -15.554 1.00 0.00 O ATOM 0 H SER A 95 -9.248 -13.132 -14.357 1.00 0.00 H new ATOM 0 HA SER A 95 -11.211 -11.264 -15.291 1.00 0.00 H new ATOM 0 HB2 SER A 95 -12.949 -12.831 -15.896 1.00 0.00 H new ATOM 0 HB3 SER A 95 -11.569 -13.063 -16.951 1.00 0.00 H new ATOM 0 HG SER A 95 -11.600 -14.628 -14.613 1.00 0.00 H new ATOM 1503 N GLU A 96 -11.959 -11.394 -12.956 1.00 0.00 N ATOM 1504 CA GLU A 96 -12.409 -11.421 -11.576 1.00 0.00 C ATOM 1505 C GLU A 96 -13.922 -11.206 -11.504 1.00 0.00 C ATOM 1506 O GLU A 96 -14.471 -10.392 -12.246 1.00 0.00 O ATOM 1507 CB GLU A 96 -11.667 -10.378 -10.737 1.00 0.00 C ATOM 1508 CG GLU A 96 -11.907 -8.968 -11.278 1.00 0.00 C ATOM 1509 CD GLU A 96 -12.163 -7.979 -10.138 1.00 0.00 C ATOM 1510 OE1 GLU A 96 -11.164 -7.406 -9.649 1.00 0.00 O ATOM 1511 OE2 GLU A 96 -13.350 -7.819 -9.781 1.00 0.00 O ATOM 0 H GLU A 96 -12.031 -10.484 -13.410 1.00 0.00 H new ATOM 0 HA GLU A 96 -12.182 -12.403 -11.161 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -12.000 -10.435 -9.701 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -10.599 -10.596 -10.741 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -11.042 -8.645 -11.857 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -12.760 -8.975 -11.956 1.00 0.00 H new ATOM 1518 N SER A 97 -14.553 -11.948 -10.607 1.00 0.00 N ATOM 1519 CA SER A 97 -15.991 -11.848 -10.429 1.00 0.00 C ATOM 1520 C SER A 97 -16.410 -12.560 -9.141 1.00 0.00 C ATOM 1521 O SER A 97 -15.807 -13.560 -8.756 1.00 0.00 O ATOM 1522 CB SER A 97 -16.735 -12.437 -11.629 1.00 0.00 C ATOM 1523 OG SER A 97 -16.816 -13.859 -11.560 1.00 0.00 O ATOM 0 H SER A 97 -14.094 -12.622 -9.995 1.00 0.00 H new ATOM 0 HA SER A 97 -16.255 -10.793 -10.354 1.00 0.00 H new ATOM 0 HB2 SER A 97 -17.740 -12.018 -11.674 1.00 0.00 H new ATOM 0 HB3 SER A 97 -16.227 -12.147 -12.549 1.00 0.00 H new ATOM 0 HG SER A 97 -17.299 -14.197 -12.342 1.00 0.00 H new ATOM 1529 N ILE A 98 -17.442 -12.017 -8.512 1.00 0.00 N ATOM 1530 CA ILE A 98 -17.948 -12.588 -7.274 1.00 0.00 C ATOM 1531 C ILE A 98 -19.265 -11.902 -6.904 1.00 0.00 C ATOM 1532 O ILE A 98 -19.628 -10.888 -7.497 1.00 0.00 O ATOM 1533 CB ILE A 98 -16.886 -12.516 -6.177 1.00 0.00 C ATOM 1534 CG1 ILE A 98 -17.189 -13.512 -5.056 1.00 0.00 C ATOM 1535 CG2 ILE A 98 -16.739 -11.087 -5.650 1.00 0.00 C ATOM 1536 CD1 ILE A 98 -15.897 -14.074 -4.456 1.00 0.00 C ATOM 0 H ILE A 98 -17.941 -11.189 -8.836 1.00 0.00 H new ATOM 0 HA ILE A 98 -18.165 -13.648 -7.403 1.00 0.00 H new ATOM 0 HB ILE A 98 -15.927 -12.800 -6.610 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -17.772 -13.021 -4.277 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -17.798 -14.328 -5.445 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -15.977 -11.063 -4.871 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -16.444 -10.427 -6.466 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -17.691 -10.752 -5.238 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -16.141 -14.779 -3.662 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -15.328 -14.585 -5.232 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -15.301 -13.258 -4.046 1.00 0.00 H new ATOM 1548 N ILE A 99 -19.943 -12.485 -5.925 1.00 0.00 N ATOM 1549 CA ILE A 99 -21.211 -11.942 -5.469 1.00 0.00 C ATOM 1550 C ILE A 99 -22.091 -11.626 -6.679 1.00 0.00 C ATOM 1551 O ILE A 99 -21.818 -12.085 -7.787 1.00 0.00 O ATOM 1552 CB ILE A 99 -20.980 -10.742 -4.547 1.00 0.00 C ATOM 1553 CG1 ILE A 99 -20.367 -9.570 -5.317 1.00 0.00 C ATOM 1554 CG2 ILE A 99 -20.133 -11.136 -3.334 1.00 0.00 C ATOM 1555 CD1 ILE A 99 -20.401 -8.289 -4.481 1.00 0.00 C ATOM 0 H ILE A 99 -19.638 -13.327 -5.436 1.00 0.00 H new ATOM 0 HA ILE A 99 -21.746 -12.678 -4.869 1.00 0.00 H new ATOM 0 HB ILE A 99 -21.947 -10.410 -4.170 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -19.337 -9.806 -5.587 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -20.913 -9.416 -6.248 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -19.984 -10.265 -2.696 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -20.645 -11.916 -2.770 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -19.166 -11.508 -3.671 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -19.960 -7.471 -5.050 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -21.434 -8.043 -4.234 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -19.834 -8.439 -3.562 1.00 0.00 H new ATOM 1567 N THR A 100 -23.132 -10.845 -6.426 1.00 0.00 N ATOM 1568 CA THR A 100 -24.055 -10.464 -7.481 1.00 0.00 C ATOM 1569 C THR A 100 -24.800 -9.182 -7.101 1.00 0.00 C ATOM 1570 O THR A 100 -25.136 -8.980 -5.935 1.00 0.00 O ATOM 1571 CB THR A 100 -24.982 -11.650 -7.750 1.00 0.00 C ATOM 1572 OG1 THR A 100 -24.167 -12.574 -8.467 1.00 0.00 O ATOM 1573 CG2 THR A 100 -26.105 -11.305 -8.732 1.00 0.00 C ATOM 0 H THR A 100 -23.356 -10.466 -5.506 1.00 0.00 H new ATOM 0 HA THR A 100 -23.526 -10.232 -8.405 1.00 0.00 H new ATOM 0 HB THR A 100 -25.414 -11.993 -6.810 1.00 0.00 H new ATOM 0 HG1 THR A 100 -23.307 -12.155 -8.680 1.00 0.00 H new ATOM 0 HG21 THR A 100 -26.734 -12.181 -8.888 1.00 0.00 H new ATOM 0 HG22 THR A 100 -26.708 -10.494 -8.325 1.00 0.00 H new ATOM 0 HG23 THR A 100 -25.674 -10.994 -9.683 1.00 0.00 H new ATOM 1581 N THR A 101 -25.038 -8.352 -8.105 1.00 0.00 N ATOM 1582 CA THR A 101 -25.738 -7.099 -7.890 1.00 0.00 C ATOM 1583 C THR A 101 -27.243 -7.340 -7.772 1.00 0.00 C ATOM 1584 O THR A 101 -27.893 -7.724 -8.744 1.00 0.00 O ATOM 1585 CB THR A 101 -25.363 -6.146 -9.028 1.00 0.00 C ATOM 1586 OG1 THR A 101 -24.043 -5.720 -8.704 1.00 0.00 O ATOM 1587 CG2 THR A 101 -26.187 -4.858 -9.009 1.00 0.00 C ATOM 0 H THR A 101 -24.758 -8.524 -9.071 1.00 0.00 H new ATOM 0 HA THR A 101 -25.441 -6.638 -6.948 1.00 0.00 H new ATOM 0 HB THR A 101 -25.502 -6.651 -9.984 1.00 0.00 H new ATOM 0 HG1 THR A 101 -23.721 -5.100 -9.391 1.00 0.00 H new ATOM 0 HG21 THR A 101 -25.881 -4.218 -9.837 1.00 0.00 H new ATOM 0 HG22 THR A 101 -27.245 -5.101 -9.110 1.00 0.00 H new ATOM 0 HG23 THR A 101 -26.024 -4.335 -8.067 1.00 0.00 H new ATOM 1595 N ILE A 102 -27.755 -7.107 -6.572 1.00 0.00 N ATOM 1596 CA ILE A 102 -29.173 -7.296 -6.314 1.00 0.00 C ATOM 1597 C ILE A 102 -29.723 -6.065 -5.590 1.00 0.00 C ATOM 1598 O ILE A 102 -28.974 -5.146 -5.264 1.00 0.00 O ATOM 1599 CB ILE A 102 -29.411 -8.607 -5.564 1.00 0.00 C ATOM 1600 CG1 ILE A 102 -28.695 -8.605 -4.212 1.00 0.00 C ATOM 1601 CG2 ILE A 102 -29.011 -9.810 -6.422 1.00 0.00 C ATOM 1602 CD1 ILE A 102 -29.649 -8.192 -3.088 1.00 0.00 C ATOM 0 H ILE A 102 -27.214 -6.789 -5.768 1.00 0.00 H new ATOM 0 HA ILE A 102 -29.722 -7.388 -7.251 1.00 0.00 H new ATOM 0 HB ILE A 102 -30.479 -8.695 -5.362 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -28.294 -9.598 -4.007 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -27.848 -7.920 -4.246 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -29.190 -10.730 -5.865 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -29.604 -9.818 -7.336 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -27.953 -9.740 -6.676 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -29.116 -8.199 -2.137 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -30.030 -7.190 -3.284 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -30.482 -8.894 -3.042 1.00 0.00 H new ATOM 1614 N ASP A 103 -31.028 -6.087 -5.361 1.00 0.00 N ATOM 1615 CA ASP A 103 -31.687 -4.984 -4.682 1.00 0.00 C ATOM 1616 C ASP A 103 -33.165 -5.327 -4.476 1.00 0.00 C ATOM 1617 O ASP A 103 -33.624 -5.450 -3.343 1.00 0.00 O ATOM 1618 CB ASP A 103 -31.612 -3.702 -5.512 1.00 0.00 C ATOM 1619 CG ASP A 103 -32.257 -2.474 -4.867 1.00 0.00 C ATOM 1620 OD1 ASP A 103 -33.276 -2.670 -4.168 1.00 0.00 O ATOM 1621 OD2 ASP A 103 -31.719 -1.367 -5.087 1.00 0.00 O ATOM 0 H ASP A 103 -31.646 -6.851 -5.633 1.00 0.00 H new ATOM 0 HA ASP A 103 -31.183 -4.827 -3.728 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -30.564 -3.479 -5.714 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -32.091 -3.882 -6.474 1.00 0.00 H new ATOM 1626 N SER A 104 -33.865 -5.472 -5.591 1.00 0.00 N ATOM 1627 CA SER A 104 -35.281 -5.798 -5.548 1.00 0.00 C ATOM 1628 C SER A 104 -35.810 -6.021 -6.966 1.00 0.00 C ATOM 1629 O SER A 104 -35.072 -5.875 -7.938 1.00 0.00 O ATOM 1630 CB SER A 104 -36.080 -4.696 -4.850 1.00 0.00 C ATOM 1631 OG SER A 104 -37.319 -5.177 -4.338 1.00 0.00 O ATOM 0 H SER A 104 -33.479 -5.370 -6.530 1.00 0.00 H new ATOM 0 HA SER A 104 -35.403 -6.716 -4.973 1.00 0.00 H new ATOM 0 HB2 SER A 104 -35.488 -4.280 -4.035 1.00 0.00 H new ATOM 0 HB3 SER A 104 -36.269 -3.885 -5.553 1.00 0.00 H new ATOM 0 HG SER A 104 -37.798 -4.444 -3.899 1.00 0.00 H new TER 1637 SER A 104 HETATM 1638 FE HEM A 105 -8.121 5.052 -17.856 1.00 0.00 FE HETATM 1639 CHA HEM A 105 -10.777 6.774 -19.062 1.00 0.00 C HETATM 1640 CHB HEM A 105 -6.977 4.560 -21.063 1.00 0.00 C HETATM 1641 CHC HEM A 105 -5.571 3.135 -16.633 1.00 0.00 C HETATM 1642 CHD HEM A 105 -9.124 5.704 -14.653 1.00 0.00 C HETATM 1643 NA HEM A 105 -8.768 5.558 -19.669 1.00 0.00 N HETATM 1644 C1A HEM A 105 -9.931 6.189 -19.996 1.00 0.00 C HETATM 1645 C2A HEM A 105 -10.108 6.212 -21.461 1.00 0.00 C HETATM 1646 C3A HEM A 105 -8.998 5.655 -22.040 1.00 0.00 C HETATM 1647 C4A HEM A 105 -8.161 5.260 -20.929 1.00 0.00 C HETATM 1648 CMA HEM A 105 -8.700 5.477 -23.527 1.00 0.00 C HETATM 1649 CAA HEM A 105 -11.339 6.723 -22.185 1.00 0.00 C HETATM 1650 CBA HEM A 105 -12.517 5.774 -22.016 1.00 0.00 C HETATM 1651 CGA HEM A 105 -12.086 4.328 -21.883 1.00 0.00 C HETATM 1652 O1A HEM A 105 -11.390 4.000 -20.906 1.00 0.00 O HETATM 1653 O2A HEM A 105 -12.403 3.516 -22.773 1.00 0.00 O HETATM 1654 NB HEM A 105 -6.599 4.091 -18.659 1.00 0.00 N HETATM 1655 C1B HEM A 105 -6.247 4.000 -20.018 1.00 0.00 C HETATM 1656 C2B HEM A 105 -5.049 3.198 -20.198 1.00 0.00 C HETATM 1657 C3B HEM A 105 -4.694 2.743 -18.942 1.00 0.00 C HETATM 1658 C4B HEM A 105 -5.634 3.328 -18.015 1.00 0.00 C HETATM 1659 CMB HEM A 105 -4.408 2.846 -21.540 1.00 0.00 C HETATM 1660 CAB HEM A 105 -3.791 1.724 -18.563 1.00 0.00 C HETATM 1661 CBB HEM A 105 -2.487 1.507 -18.949 1.00 0.00 C HETATM 1662 NC HEM A 105 -7.482 4.528 -16.042 1.00 0.00 N HETATM 1663 C1C HEM A 105 -6.424 3.686 -15.721 1.00 0.00 C HETATM 1664 C2C HEM A 105 -6.302 3.473 -14.263 1.00 0.00 C HETATM 1665 C3C HEM A 105 -7.315 4.206 -13.714 1.00 0.00 C HETATM 1666 C4C HEM A 105 -8.019 4.878 -14.814 1.00 0.00 C HETATM 1667 CMC HEM A 105 -5.244 2.560 -13.592 1.00 0.00 C HETATM 1668 CAC HEM A 105 -7.646 4.327 -12.357 1.00 0.00 C HETATM 1669 CBC HEM A 105 -6.675 4.482 -11.381 1.00 0.00 C HETATM 1670 ND HEM A 105 -9.661 6.008 -17.015 1.00 0.00 N HETATM 1671 C1D HEM A 105 -9.904 6.229 -15.654 1.00 0.00 C HETATM 1672 C2D HEM A 105 -11.039 7.093 -15.458 1.00 0.00 C HETATM 1673 C3D HEM A 105 -11.463 7.425 -16.690 1.00 0.00 C HETATM 1674 C4D HEM A 105 -10.650 6.709 -17.667 1.00 0.00 C HETATM 1675 CMD HEM A 105 -11.673 7.509 -14.139 1.00 0.00 C HETATM 1676 CAD HEM A 105 -12.521 8.448 -17.025 1.00 0.00 C HETATM 1677 CBD HEM A 105 -13.873 7.787 -17.136 1.00 0.00 C HETATM 1678 CGD HEM A 105 -14.577 8.148 -18.422 1.00 0.00 C HETATM 1679 O1D HEM A 105 -15.825 8.103 -18.434 1.00 0.00 O HETATM 1680 O2D HEM A 105 -13.890 8.494 -19.413 1.00 0.00 O HETATM 0 HMA1 HEM A 105 -9.635 5.358 -24.074 1.00 0.00 H new HETATM 0 HMA2 HEM A 105 -8.081 4.592 -23.671 1.00 0.00 H new HETATM 0 HMA3 HEM A 105 -8.171 6.354 -23.900 1.00 0.00 H new HETATM 0 HMB1 HEM A 105 -5.179 2.795 -22.309 1.00 0.00 H new HETATM 0 HMB2 HEM A 105 -3.908 1.880 -21.462 1.00 0.00 H new HETATM 0 HMB3 HEM A 105 -3.679 3.611 -21.807 1.00 0.00 H new HETATM 0 HMC1 HEM A 105 -5.002 2.949 -12.603 1.00 0.00 H new HETATM 0 HMC2 HEM A 105 -4.342 2.538 -14.204 1.00 0.00 H new HETATM 0 HMC3 HEM A 105 -5.643 1.550 -13.497 1.00 0.00 H new HETATM 0 HMD1 HEM A 105 -11.538 6.715 -13.404 1.00 0.00 H new HETATM 0 HMD2 HEM A 105 -12.738 7.689 -14.288 1.00 0.00 H new HETATM 0 HMD3 HEM A 105 -11.198 8.422 -13.779 1.00 0.00 H new HETATM 0 HBB1 HEM A 105 -1.934 0.657 -18.549 1.00 0.00 H new HETATM 0 HBB2 HEM A 105 -2.008 2.185 -19.655 1.00 0.00 H new HETATM 0 HBC1 HEM A 105 -6.964 4.573 -10.334 1.00 0.00 H new HETATM 0 HBC2 HEM A 105 -5.622 4.513 -11.660 1.00 0.00 H new HETATM 0 HBA1 HEM A 105 -13.184 5.873 -22.872 1.00 0.00 H new HETATM 0 HBA2 HEM A 105 -13.087 6.062 -21.133 1.00 0.00 H new HETATM 0 HAA1 HEM A 105 -11.116 6.843 -23.245 1.00 0.00 H new HETATM 0 HAA2 HEM A 105 -11.606 7.708 -21.802 1.00 0.00 H new HETATM 0 HBD1 HEM A 105 -14.492 8.083 -16.289 1.00 0.00 H new HETATM 0 HBD2 HEM A 105 -13.753 6.705 -17.080 1.00 0.00 H new HETATM 0 HAD1 HEM A 105 -12.273 8.944 -17.964 1.00 0.00 H new HETATM 0 HAD2 HEM A 105 -12.548 9.219 -16.255 1.00 0.00 H new HETATM 0 HHA HEM A 105 -11.615 7.334 -19.449 1.00 0.00 H new HETATM 0 HHB HEM A 105 -6.585 4.437 -22.062 1.00 0.00 H new HETATM 0 HHC HEM A 105 -4.784 2.499 -16.256 1.00 0.00 H new HETATM 0 HHD HEM A 105 -9.397 5.959 -13.640 1.00 0.00 H new HETATM 0 HAB HEM A 105 -4.189 0.997 -17.855 1.00 0.00 H new HETATM 0 HAC HEM A 105 -8.695 4.298 -12.062 1.00 0.00 H new