USER MOD reduce.3.24.130724 H: found=0, std=0, add=1093, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1089 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 102 GLN : amide:sc= -0.209 K(o=-0.21,f=-5.7!) USER MOD Set 1.2: A 125 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 63 HIS : no HD1:sc= -0.242 K(o=-0.96,f=-3.4!) USER MOD Set 2.2: A 83 ASN : amide:sc= -0.717 K(o=-0.96,f=-4.4) USER MOD Set 3.1: A 39 THR OG1 : rot -160:sc= -0.471 USER MOD Set 3.2: A 47 THR OG1 : rot -150:sc= 0 USER MOD Set 4.1: A 6 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 140:sc= 0.00305 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 29:sc=0.000432 USER MOD Single : A 19 CYS SG : rot 170:sc= -0.25 USER MOD Single : A 25 MET CE :methyl 152:sc= -0.434 (180deg=-0.728) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 180:sc= -0.355 USER MOD Single : A 48 TYR OH : rot -159:sc= 0.115 USER MOD Single : A 49 GLN : amide:sc= 1.02 K(o=1,f=-0.025) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 CYS SG : rot 110:sc= -1.33 USER MOD Single : A 58 MET CE :methyl -141:sc= -2.49 (180deg=-6.63!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 64 CYS SG : rot 180:sc= -0.172 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc=-0.00994 K(o=-0.0099,f=-3!) USER MOD Single : A 69 ASN : amide:sc= -1.71! C(o=-1.7!,f=-11!) USER MOD Single : A 73 GLN : amide:sc= -0.28 K(o=-0.28,f=-2.2) USER MOD Single : A 75 THR OG1 : rot -25:sc= 0.345 USER MOD Single : A 77 MET CE :methyl -155:sc=-0.00164 (180deg=-0.899) USER MOD Single : A 79 ASN : amide:sc= -0.116 X(o=-0.12,f=-0.39) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot -42:sc= 0.955 USER MOD Single : A 88 ASN : amide:sc= -1.2 K(o=-1.2,f=-8.1!) USER MOD Single : A 98 TYR OH : rot 30:sc= 0.024 USER MOD Single : A 99 SER OG : rot 180:sc= 0.0851 USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 105 TYR OH : rot 150:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 ASN :FLIP amide:sc= 0.836 F(o=-0.19,f=0.84) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= -0.0123 X(o=-0.012,f=0) USER MOD Single : A 120 TYR OH : rot 30:sc= -0.611 USER MOD Single : A 122 TYR OH : rot 180:sc= -0.295 USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 CYS SG : rot 180:sc= 0 USER MOD Single : A 137 SER OG : rot -135:sc= 0.626 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 SER OG : rot 104:sc= 0.64 USER MOD Single : A 143 SER OG : rot 49:sc= 0.357 USER MOD Single : A 144 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.512 -18.758 -23.823 1.00 0.00 N ATOM 2 CA GLY A 1 22.409 -18.898 -22.890 1.00 0.00 C ATOM 3 C GLY A 1 21.058 -18.785 -23.568 1.00 0.00 C ATOM 4 O GLY A 1 20.856 -17.924 -24.423 1.00 0.00 O ATOM 0 H1 GLY A 1 24.267 -18.193 -23.385 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.881 -19.699 -24.068 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.179 -18.282 -24.686 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.481 -19.863 -22.389 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.490 -18.132 -22.119 1.00 0.00 H new ATOM 8 N SER A 2 20.132 -19.659 -23.187 1.00 0.00 N ATOM 9 CA SER A 2 18.795 -19.657 -23.768 1.00 0.00 C ATOM 10 C SER A 2 17.835 -18.828 -22.921 1.00 0.00 C ATOM 11 O SER A 2 17.635 -19.105 -21.738 1.00 0.00 O ATOM 12 CB SER A 2 18.271 -21.089 -23.898 1.00 0.00 C ATOM 13 OG SER A 2 17.239 -21.168 -24.866 1.00 0.00 O ATOM 0 H SER A 2 20.283 -20.377 -22.479 1.00 0.00 H new ATOM 0 HA SER A 2 18.857 -19.208 -24.759 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.088 -21.755 -24.177 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.896 -21.432 -22.933 1.00 0.00 H new ATOM 0 HG SER A 2 16.922 -22.093 -24.932 1.00 0.00 H new ATOM 19 N SER A 3 17.243 -17.808 -23.535 1.00 0.00 N ATOM 20 CA SER A 3 16.307 -16.935 -22.837 1.00 0.00 C ATOM 21 C SER A 3 14.879 -17.454 -22.968 1.00 0.00 C ATOM 22 O SER A 3 14.271 -17.372 -24.034 1.00 0.00 O ATOM 23 CB SER A 3 16.396 -15.511 -23.390 1.00 0.00 C ATOM 24 OG SER A 3 17.436 -14.783 -22.760 1.00 0.00 O ATOM 0 H SER A 3 17.395 -17.566 -24.514 1.00 0.00 H new ATOM 0 HA SER A 3 16.576 -16.925 -21.781 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.572 -15.545 -24.465 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.446 -14.999 -23.239 1.00 0.00 H new ATOM 0 HG SER A 3 17.473 -13.877 -23.132 1.00 0.00 H new ATOM 30 N GLY A 4 14.348 -17.991 -21.873 1.00 0.00 N ATOM 31 CA GLY A 4 12.996 -18.517 -21.885 1.00 0.00 C ATOM 32 C GLY A 4 12.354 -18.498 -20.512 1.00 0.00 C ATOM 33 O GLY A 4 12.981 -18.874 -19.521 1.00 0.00 O ATOM 0 H GLY A 4 14.831 -18.071 -20.978 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.388 -17.932 -22.575 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.011 -19.540 -22.262 1.00 0.00 H new ATOM 37 N SER A 5 11.102 -18.058 -20.452 1.00 0.00 N ATOM 38 CA SER A 5 10.376 -17.986 -19.189 1.00 0.00 C ATOM 39 C SER A 5 10.337 -19.350 -18.507 1.00 0.00 C ATOM 40 O SER A 5 10.329 -20.387 -19.169 1.00 0.00 O ATOM 41 CB SER A 5 8.952 -17.478 -19.422 1.00 0.00 C ATOM 42 OG SER A 5 8.959 -16.146 -19.905 1.00 0.00 O ATOM 0 H SER A 5 10.568 -17.746 -21.263 1.00 0.00 H new ATOM 0 HA SER A 5 10.900 -17.288 -18.537 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.444 -18.125 -20.137 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.388 -17.528 -18.491 1.00 0.00 H new ATOM 0 HG SER A 5 8.037 -15.845 -20.048 1.00 0.00 H new ATOM 48 N SER A 6 10.311 -19.340 -17.178 1.00 0.00 N ATOM 49 CA SER A 6 10.276 -20.576 -16.404 1.00 0.00 C ATOM 50 C SER A 6 8.851 -21.110 -16.299 1.00 0.00 C ATOM 51 O SER A 6 7.895 -20.344 -16.191 1.00 0.00 O ATOM 52 CB SER A 6 10.850 -20.343 -15.005 1.00 0.00 C ATOM 53 OG SER A 6 10.521 -21.411 -14.135 1.00 0.00 O ATOM 0 H SER A 6 10.314 -18.490 -16.615 1.00 0.00 H new ATOM 0 HA SER A 6 10.886 -21.317 -16.920 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.933 -20.240 -15.066 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.463 -19.408 -14.601 1.00 0.00 H new ATOM 0 HG SER A 6 10.901 -21.239 -13.248 1.00 0.00 H new ATOM 59 N GLY A 7 8.718 -22.433 -16.332 1.00 0.00 N ATOM 60 CA GLY A 7 7.407 -23.049 -16.240 1.00 0.00 C ATOM 61 C GLY A 7 7.091 -23.532 -14.838 1.00 0.00 C ATOM 62 O GLY A 7 7.103 -22.750 -13.887 1.00 0.00 O ATOM 0 H GLY A 7 9.494 -23.089 -16.421 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.649 -22.331 -16.553 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.355 -23.890 -16.931 1.00 0.00 H new ATOM 66 N VAL A 8 6.805 -24.823 -14.710 1.00 0.00 N ATOM 67 CA VAL A 8 6.483 -25.410 -13.414 1.00 0.00 C ATOM 68 C VAL A 8 7.748 -25.799 -12.657 1.00 0.00 C ATOM 69 O VAL A 8 8.251 -26.914 -12.797 1.00 0.00 O ATOM 70 CB VAL A 8 5.587 -26.653 -13.567 1.00 0.00 C ATOM 71 CG1 VAL A 8 5.268 -27.253 -12.206 1.00 0.00 C ATOM 72 CG2 VAL A 8 4.311 -26.300 -14.316 1.00 0.00 C ATOM 0 H VAL A 8 6.790 -25.483 -15.488 1.00 0.00 H new ATOM 0 HA VAL A 8 5.944 -24.650 -12.848 1.00 0.00 H new ATOM 0 HB VAL A 8 6.128 -27.400 -14.148 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.634 -28.130 -12.335 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.194 -27.544 -11.711 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.747 -26.515 -11.596 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.689 -27.190 -14.415 1.00 0.00 H new ATOM 0 HG22 VAL A 8 3.765 -25.535 -13.764 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.563 -25.921 -15.306 1.00 0.00 H new ATOM 82 N THR A 9 8.259 -24.872 -11.853 1.00 0.00 N ATOM 83 CA THR A 9 9.466 -25.117 -11.074 1.00 0.00 C ATOM 84 C THR A 9 9.343 -24.534 -9.671 1.00 0.00 C ATOM 85 O THR A 9 8.863 -23.416 -9.493 1.00 0.00 O ATOM 86 CB THR A 9 10.709 -24.517 -11.759 1.00 0.00 C ATOM 87 OG1 THR A 9 10.638 -24.728 -13.174 1.00 0.00 O ATOM 88 CG2 THR A 9 11.983 -25.141 -11.211 1.00 0.00 C ATOM 0 H THR A 9 7.855 -23.944 -11.724 1.00 0.00 H new ATOM 0 HA THR A 9 9.584 -26.199 -11.006 1.00 0.00 H new ATOM 0 HB THR A 9 10.730 -23.447 -11.552 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.431 -24.343 -13.602 1.00 0.00 H new ATOM 0 HG21 THR A 9 12.847 -24.702 -11.710 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.048 -24.953 -10.139 1.00 0.00 H new ATOM 0 HG23 THR A 9 11.968 -26.216 -11.391 1.00 0.00 H new ATOM 96 N GLY A 10 9.780 -25.301 -8.676 1.00 0.00 N ATOM 97 CA GLY A 10 9.710 -24.843 -7.301 1.00 0.00 C ATOM 98 C GLY A 10 10.939 -24.059 -6.887 1.00 0.00 C ATOM 99 O GLY A 10 11.947 -24.640 -6.482 1.00 0.00 O ATOM 0 H GLY A 10 10.181 -26.231 -8.798 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.825 -24.219 -7.174 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.592 -25.702 -6.641 1.00 0.00 H new ATOM 103 N ASP A 11 10.859 -22.737 -6.991 1.00 0.00 N ATOM 104 CA ASP A 11 11.974 -21.872 -6.625 1.00 0.00 C ATOM 105 C ASP A 11 11.570 -20.403 -6.701 1.00 0.00 C ATOM 106 O ASP A 11 10.497 -20.069 -7.203 1.00 0.00 O ATOM 107 CB ASP A 11 13.171 -22.133 -7.541 1.00 0.00 C ATOM 108 CG ASP A 11 12.875 -21.800 -8.990 1.00 0.00 C ATOM 109 OD1 ASP A 11 11.934 -22.395 -9.556 1.00 0.00 O ATOM 110 OD2 ASP A 11 13.584 -20.943 -9.558 1.00 0.00 O ATOM 0 H ASP A 11 10.033 -22.241 -7.326 1.00 0.00 H new ATOM 0 HA ASP A 11 12.256 -22.099 -5.597 1.00 0.00 H new ATOM 0 HB2 ASP A 11 14.021 -21.541 -7.201 1.00 0.00 H new ATOM 0 HB3 ASP A 11 13.462 -23.181 -7.464 1.00 0.00 H new ATOM 115 N ARG A 12 12.437 -19.530 -6.198 1.00 0.00 N ATOM 116 CA ARG A 12 12.169 -18.097 -6.207 1.00 0.00 C ATOM 117 C ARG A 12 12.736 -17.445 -7.465 1.00 0.00 C ATOM 118 O ARG A 12 13.481 -18.072 -8.218 1.00 0.00 O ATOM 119 CB ARG A 12 12.768 -17.437 -4.963 1.00 0.00 C ATOM 120 CG ARG A 12 11.906 -17.585 -3.720 1.00 0.00 C ATOM 121 CD ARG A 12 12.211 -18.879 -2.982 1.00 0.00 C ATOM 122 NE ARG A 12 13.567 -18.893 -2.440 1.00 0.00 N ATOM 123 CZ ARG A 12 14.118 -19.958 -1.869 1.00 0.00 C ATOM 124 NH1 ARG A 12 13.434 -21.089 -1.766 1.00 0.00 N ATOM 125 NH2 ARG A 12 15.358 -19.893 -1.399 1.00 0.00 N ATOM 0 H ARG A 12 13.330 -19.790 -5.780 1.00 0.00 H new ATOM 0 HA ARG A 12 11.088 -17.955 -6.201 1.00 0.00 H new ATOM 0 HB2 ARG A 12 13.749 -17.871 -4.768 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.923 -16.377 -5.163 1.00 0.00 H new ATOM 0 HG2 ARG A 12 12.075 -16.737 -3.056 1.00 0.00 H new ATOM 0 HG3 ARG A 12 10.853 -17.565 -4.001 1.00 0.00 H new ATOM 0 HD2 ARG A 12 11.495 -19.011 -2.171 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.083 -19.722 -3.661 1.00 0.00 H new ATOM 0 HE ARG A 12 14.121 -18.039 -2.503 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.481 -21.143 -2.126 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.861 -21.905 -1.327 1.00 0.00 H new ATOM 0 HH21 ARG A 12 15.888 -19.025 -1.476 1.00 0.00 H new ATOM 0 HH22 ARG A 12 15.781 -20.711 -0.961 1.00 0.00 H new ATOM 139 N ALA A 13 12.378 -16.185 -7.685 1.00 0.00 N ATOM 140 CA ALA A 13 12.852 -15.448 -8.850 1.00 0.00 C ATOM 141 C ALA A 13 12.452 -16.150 -10.144 1.00 0.00 C ATOM 142 O ALA A 13 13.105 -15.993 -11.174 1.00 0.00 O ATOM 143 CB ALA A 13 14.362 -15.275 -8.787 1.00 0.00 C ATOM 0 H ALA A 13 11.761 -15.653 -7.072 1.00 0.00 H new ATOM 0 HA ALA A 13 12.384 -14.464 -8.841 1.00 0.00 H new ATOM 0 HB1 ALA A 13 14.702 -14.723 -9.663 1.00 0.00 H new ATOM 0 HB2 ALA A 13 14.628 -14.724 -7.885 1.00 0.00 H new ATOM 0 HB3 ALA A 13 14.840 -16.254 -8.767 1.00 0.00 H new ATOM 149 N GLY A 14 11.375 -16.927 -10.081 1.00 0.00 N ATOM 150 CA GLY A 14 10.907 -17.642 -11.254 1.00 0.00 C ATOM 151 C GLY A 14 9.397 -17.624 -11.381 1.00 0.00 C ATOM 152 O GLY A 14 8.859 -17.266 -12.428 1.00 0.00 O ATOM 0 H GLY A 14 10.818 -17.074 -9.239 1.00 0.00 H new ATOM 0 HA2 GLY A 14 11.349 -17.198 -12.146 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.252 -18.675 -11.208 1.00 0.00 H new ATOM 156 N GLY A 15 8.710 -18.014 -10.311 1.00 0.00 N ATOM 157 CA GLY A 15 7.259 -18.035 -10.328 1.00 0.00 C ATOM 158 C GLY A 15 6.660 -16.647 -10.438 1.00 0.00 C ATOM 159 O GLY A 15 7.348 -15.694 -10.804 1.00 0.00 O ATOM 0 H GLY A 15 9.133 -18.316 -9.433 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.917 -18.642 -11.166 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.895 -18.513 -9.419 1.00 0.00 H new ATOM 163 N ARG A 16 5.374 -16.532 -10.122 1.00 0.00 N ATOM 164 CA ARG A 16 4.682 -15.251 -10.189 1.00 0.00 C ATOM 165 C ARG A 16 4.803 -14.497 -8.868 1.00 0.00 C ATOM 166 O ARG A 16 5.033 -15.098 -7.818 1.00 0.00 O ATOM 167 CB ARG A 16 3.207 -15.461 -10.536 1.00 0.00 C ATOM 168 CG ARG A 16 2.922 -15.428 -12.028 1.00 0.00 C ATOM 169 CD ARG A 16 3.040 -16.811 -12.649 1.00 0.00 C ATOM 170 NE ARG A 16 3.364 -16.747 -14.072 1.00 0.00 N ATOM 171 CZ ARG A 16 3.628 -17.816 -14.814 1.00 0.00 C ATOM 172 NH1 ARG A 16 3.605 -19.026 -14.272 1.00 0.00 N ATOM 173 NH2 ARG A 16 3.914 -17.676 -16.103 1.00 0.00 N ATOM 0 H ARG A 16 4.790 -17.311 -9.817 1.00 0.00 H new ATOM 0 HA ARG A 16 5.151 -14.654 -10.972 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.881 -16.420 -10.133 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.613 -14.690 -10.044 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.920 -15.035 -12.199 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.619 -14.748 -12.518 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.811 -17.378 -12.127 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.102 -17.350 -12.515 1.00 0.00 H new ATOM 0 HE ARG A 16 3.389 -15.831 -14.520 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.384 -19.137 -13.282 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.808 -19.845 -14.845 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.931 -16.747 -16.524 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.117 -18.498 -16.673 1.00 0.00 H new ATOM 187 N SER A 17 4.646 -13.179 -8.928 1.00 0.00 N ATOM 188 CA SER A 17 4.741 -12.343 -7.737 1.00 0.00 C ATOM 189 C SER A 17 3.781 -11.160 -7.825 1.00 0.00 C ATOM 190 O SER A 17 4.010 -10.216 -8.581 1.00 0.00 O ATOM 191 CB SER A 17 6.174 -11.838 -7.556 1.00 0.00 C ATOM 192 OG SER A 17 6.909 -12.687 -6.691 1.00 0.00 O ATOM 0 H SER A 17 4.452 -12.667 -9.789 1.00 0.00 H new ATOM 0 HA SER A 17 4.465 -12.950 -6.875 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.669 -11.785 -8.526 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.158 -10.826 -7.150 1.00 0.00 H new ATOM 0 HG SER A 17 6.555 -13.599 -6.749 1.00 0.00 H new ATOM 198 N TRP A 18 2.707 -11.220 -7.047 1.00 0.00 N ATOM 199 CA TRP A 18 1.711 -10.155 -7.036 1.00 0.00 C ATOM 200 C TRP A 18 2.368 -8.797 -6.817 1.00 0.00 C ATOM 201 O TRP A 18 3.542 -8.717 -6.454 1.00 0.00 O ATOM 202 CB TRP A 18 0.669 -10.413 -5.946 1.00 0.00 C ATOM 203 CG TRP A 18 -0.146 -11.648 -6.183 1.00 0.00 C ATOM 204 CD1 TRP A 18 0.256 -12.942 -6.007 1.00 0.00 C ATOM 205 CD2 TRP A 18 -1.501 -11.706 -6.643 1.00 0.00 C ATOM 206 NE1 TRP A 18 -0.768 -13.800 -6.329 1.00 0.00 N ATOM 207 CE2 TRP A 18 -1.857 -13.066 -6.721 1.00 0.00 C ATOM 208 CE3 TRP A 18 -2.448 -10.740 -6.994 1.00 0.00 C ATOM 209 CZ2 TRP A 18 -3.118 -13.482 -7.137 1.00 0.00 C ATOM 210 CZ3 TRP A 18 -3.700 -11.155 -7.407 1.00 0.00 C ATOM 211 CH2 TRP A 18 -4.026 -12.516 -7.475 1.00 0.00 C ATOM 0 H TRP A 18 2.503 -11.995 -6.415 1.00 0.00 H new ATOM 0 HA TRP A 18 1.216 -10.146 -8.007 1.00 0.00 H new ATOM 0 HB2 TRP A 18 1.174 -10.499 -4.984 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.002 -9.553 -5.880 1.00 0.00 H new ATOM 0 HD1 TRP A 18 1.234 -13.246 -5.665 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -0.725 -14.818 -6.284 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.206 -9.689 -6.943 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -3.371 -14.531 -7.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -4.440 -10.418 -7.682 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -5.013 -12.808 -7.801 1.00 0.00 H new ATOM 222 N CYS A 19 1.606 -7.732 -7.039 1.00 0.00 N ATOM 223 CA CYS A 19 2.116 -6.377 -6.866 1.00 0.00 C ATOM 224 C CYS A 19 0.997 -5.351 -7.019 1.00 0.00 C ATOM 225 O CYS A 19 -0.177 -5.709 -7.123 1.00 0.00 O ATOM 226 CB CYS A 19 3.225 -6.094 -7.879 1.00 0.00 C ATOM 227 SG CYS A 19 2.640 -5.894 -9.579 1.00 0.00 S ATOM 0 H CYS A 19 0.632 -7.781 -7.339 1.00 0.00 H new ATOM 0 HA CYS A 19 2.524 -6.295 -5.859 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.754 -5.189 -7.579 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.947 -6.910 -7.848 1.00 0.00 H new ATOM 0 HG CYS A 19 3.610 -5.450 -10.322 1.00 0.00 H new ATOM 233 N LEU A 20 1.368 -4.076 -7.030 1.00 0.00 N ATOM 234 CA LEU A 20 0.396 -2.997 -7.169 1.00 0.00 C ATOM 235 C LEU A 20 0.681 -2.164 -8.414 1.00 0.00 C ATOM 236 O LEU A 20 1.122 -1.019 -8.319 1.00 0.00 O ATOM 237 CB LEU A 20 0.416 -2.103 -5.928 1.00 0.00 C ATOM 238 CG LEU A 20 0.050 -2.781 -4.606 1.00 0.00 C ATOM 239 CD1 LEU A 20 0.115 -1.784 -3.460 1.00 0.00 C ATOM 240 CD2 LEU A 20 -1.334 -3.406 -4.694 1.00 0.00 C ATOM 0 H LEU A 20 2.335 -3.764 -6.944 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.593 -3.444 -7.272 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.413 -1.674 -5.830 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.273 -1.274 -6.091 1.00 0.00 H new ATOM 0 HG LEU A 20 0.773 -3.573 -4.412 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.148 -2.284 -2.528 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.126 -1.383 -3.384 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.586 -0.970 -3.646 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.578 -3.884 -3.745 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.070 -2.632 -4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.347 -4.151 -5.489 1.00 0.00 H new ATOM 252 N ARG A 21 0.424 -2.746 -9.581 1.00 0.00 N ATOM 253 CA ARG A 21 0.652 -2.057 -10.845 1.00 0.00 C ATOM 254 C ARG A 21 -0.022 -0.688 -10.847 1.00 0.00 C ATOM 255 O ARG A 21 -1.241 -0.585 -10.992 1.00 0.00 O ATOM 256 CB ARG A 21 0.126 -2.898 -12.011 1.00 0.00 C ATOM 257 CG ARG A 21 0.935 -2.741 -13.288 1.00 0.00 C ATOM 258 CD ARG A 21 0.200 -3.320 -14.487 1.00 0.00 C ATOM 259 NE ARG A 21 -0.981 -2.536 -14.836 1.00 0.00 N ATOM 260 CZ ARG A 21 -1.843 -2.889 -15.783 1.00 0.00 C ATOM 261 NH1 ARG A 21 -1.657 -4.006 -16.472 1.00 0.00 N ATOM 262 NH2 ARG A 21 -2.895 -2.123 -16.043 1.00 0.00 N ATOM 0 H ARG A 21 0.058 -3.693 -9.677 1.00 0.00 H new ATOM 0 HA ARG A 21 1.726 -1.915 -10.964 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.124 -3.948 -11.719 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.909 -2.621 -12.210 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.142 -1.685 -13.462 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.897 -3.240 -13.174 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.875 -3.359 -15.342 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.097 -4.346 -14.269 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.154 -1.670 -14.325 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.850 -4.598 -16.276 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.321 -4.274 -17.198 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.042 -1.262 -15.516 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.556 -2.395 -16.770 1.00 0.00 H new ATOM 276 N ARG A 22 0.779 0.360 -10.685 1.00 0.00 N ATOM 277 CA ARG A 22 0.260 1.722 -10.666 1.00 0.00 C ATOM 278 C ARG A 22 -0.598 1.995 -11.899 1.00 0.00 C ATOM 279 O ARG A 22 -0.114 1.938 -13.030 1.00 0.00 O ATOM 280 CB ARG A 22 1.410 2.728 -10.600 1.00 0.00 C ATOM 281 CG ARG A 22 0.954 4.163 -10.389 1.00 0.00 C ATOM 282 CD ARG A 22 1.471 4.724 -9.074 1.00 0.00 C ATOM 283 NE ARG A 22 1.412 6.183 -9.041 1.00 0.00 N ATOM 284 CZ ARG A 22 2.138 6.929 -8.216 1.00 0.00 C ATOM 285 NH1 ARG A 22 2.974 6.357 -7.360 1.00 0.00 N ATOM 286 NH2 ARG A 22 2.029 8.251 -8.245 1.00 0.00 N ATOM 0 H ARG A 22 1.790 0.292 -10.565 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.363 1.834 -9.779 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.082 2.446 -9.789 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.985 2.671 -11.524 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.306 4.783 -11.214 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.135 4.205 -10.401 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.883 4.319 -8.251 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.500 4.399 -8.921 1.00 0.00 H new ATOM 0 HE ARG A 22 0.779 6.655 -9.687 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.061 5.341 -7.334 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.530 6.933 -6.728 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.387 8.696 -8.901 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.587 8.823 -7.611 1.00 0.00 H new ATOM 300 N VAL A 23 -1.874 2.290 -11.673 1.00 0.00 N ATOM 301 CA VAL A 23 -2.798 2.572 -12.764 1.00 0.00 C ATOM 302 C VAL A 23 -2.432 3.870 -13.474 1.00 0.00 C ATOM 303 O VAL A 23 -2.248 4.907 -12.838 1.00 0.00 O ATOM 304 CB VAL A 23 -4.250 2.668 -12.259 1.00 0.00 C ATOM 305 CG1 VAL A 23 -5.208 2.871 -13.423 1.00 0.00 C ATOM 306 CG2 VAL A 23 -4.620 1.425 -11.464 1.00 0.00 C ATOM 0 H VAL A 23 -2.291 2.340 -10.744 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.719 1.743 -13.467 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.331 3.531 -11.599 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.229 2.937 -13.047 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.954 3.793 -13.947 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.128 2.029 -14.111 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.649 1.509 -11.115 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.524 0.545 -12.099 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.953 1.329 -10.607 1.00 0.00 H new ATOM 316 N GLY A 24 -2.327 3.806 -14.798 1.00 0.00 N ATOM 317 CA GLY A 24 -1.983 4.984 -15.573 1.00 0.00 C ATOM 318 C GLY A 24 -0.505 5.050 -15.901 1.00 0.00 C ATOM 319 O GLY A 24 -0.121 5.510 -16.976 1.00 0.00 O ATOM 0 H GLY A 24 -2.474 2.959 -15.348 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.558 4.987 -16.499 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.269 5.877 -15.017 1.00 0.00 H new ATOM 323 N MET A 25 0.327 4.592 -14.971 1.00 0.00 N ATOM 324 CA MET A 25 1.772 4.603 -15.168 1.00 0.00 C ATOM 325 C MET A 25 2.307 3.186 -15.350 1.00 0.00 C ATOM 326 O MET A 25 1.769 2.232 -14.787 1.00 0.00 O ATOM 327 CB MET A 25 2.465 5.272 -13.979 1.00 0.00 C ATOM 328 CG MET A 25 2.649 6.772 -14.148 1.00 0.00 C ATOM 329 SD MET A 25 2.673 7.651 -12.574 1.00 0.00 S ATOM 330 CE MET A 25 3.746 6.589 -11.610 1.00 0.00 C ATOM 0 H MET A 25 0.026 4.209 -14.075 1.00 0.00 H new ATOM 0 HA MET A 25 1.986 5.173 -16.072 1.00 0.00 H new ATOM 0 HB2 MET A 25 1.882 5.085 -13.077 1.00 0.00 H new ATOM 0 HB3 MET A 25 3.440 4.809 -13.830 1.00 0.00 H new ATOM 0 HG2 MET A 25 3.581 6.962 -14.680 1.00 0.00 H new ATOM 0 HG3 MET A 25 1.843 7.165 -14.767 1.00 0.00 H new ATOM 0 HE1 MET A 25 4.255 7.180 -10.849 1.00 0.00 H new ATOM 0 HE2 MET A 25 3.152 5.812 -11.129 1.00 0.00 H new ATOM 0 HE3 MET A 25 4.485 6.127 -12.265 1.00 0.00 H new ATOM 340 N SER A 26 3.367 3.055 -16.141 1.00 0.00 N ATOM 341 CA SER A 26 3.971 1.754 -16.401 1.00 0.00 C ATOM 342 C SER A 26 5.122 1.487 -15.437 1.00 0.00 C ATOM 343 O SER A 26 5.890 0.542 -15.616 1.00 0.00 O ATOM 344 CB SER A 26 4.473 1.680 -17.845 1.00 0.00 C ATOM 345 OG SER A 26 3.395 1.742 -18.763 1.00 0.00 O ATOM 0 H SER A 26 3.825 3.834 -16.613 1.00 0.00 H new ATOM 0 HA SER A 26 3.208 0.990 -16.249 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.165 2.501 -18.035 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.028 0.754 -17.993 1.00 0.00 H new ATOM 0 HG SER A 26 3.742 1.695 -19.678 1.00 0.00 H new ATOM 351 N ALA A 27 5.235 2.326 -14.413 1.00 0.00 N ATOM 352 CA ALA A 27 6.290 2.181 -13.418 1.00 0.00 C ATOM 353 C ALA A 27 5.731 2.292 -12.004 1.00 0.00 C ATOM 354 O ALA A 27 4.517 2.309 -11.805 1.00 0.00 O ATOM 355 CB ALA A 27 7.374 3.224 -13.642 1.00 0.00 C ATOM 0 H ALA A 27 4.608 3.114 -14.251 1.00 0.00 H new ATOM 0 HA ALA A 27 6.727 1.189 -13.531 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.155 3.104 -12.892 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.803 3.096 -14.636 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.942 4.221 -13.559 1.00 0.00 H new ATOM 361 N GLY A 28 6.625 2.368 -11.022 1.00 0.00 N ATOM 362 CA GLY A 28 6.200 2.476 -9.639 1.00 0.00 C ATOM 363 C GLY A 28 5.378 1.285 -9.190 1.00 0.00 C ATOM 364 O GLY A 28 4.379 1.441 -8.488 1.00 0.00 O ATOM 0 H GLY A 28 7.636 2.357 -11.160 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.077 2.570 -8.999 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.614 3.386 -9.512 1.00 0.00 H new ATOM 368 N TRP A 29 5.797 0.092 -9.596 1.00 0.00 N ATOM 369 CA TRP A 29 5.090 -1.131 -9.233 1.00 0.00 C ATOM 370 C TRP A 29 5.585 -1.668 -7.894 1.00 0.00 C ATOM 371 O TRP A 29 6.765 -1.988 -7.741 1.00 0.00 O ATOM 372 CB TRP A 29 5.271 -2.192 -10.320 1.00 0.00 C ATOM 373 CG TRP A 29 4.665 -1.803 -11.635 1.00 0.00 C ATOM 374 CD1 TRP A 29 4.027 -0.632 -11.929 1.00 0.00 C ATOM 375 CD2 TRP A 29 4.638 -2.588 -12.832 1.00 0.00 C ATOM 376 NE1 TRP A 29 3.606 -0.642 -13.237 1.00 0.00 N ATOM 377 CE2 TRP A 29 3.969 -1.831 -13.813 1.00 0.00 C ATOM 378 CE3 TRP A 29 5.116 -3.857 -13.171 1.00 0.00 C ATOM 379 CZ2 TRP A 29 3.766 -2.302 -15.107 1.00 0.00 C ATOM 380 CZ3 TRP A 29 4.914 -4.323 -14.456 1.00 0.00 C ATOM 381 CH2 TRP A 29 4.245 -3.547 -15.411 1.00 0.00 C ATOM 0 H TRP A 29 6.623 -0.055 -10.177 1.00 0.00 H new ATOM 0 HA TRP A 29 4.030 -0.894 -9.140 1.00 0.00 H new ATOM 0 HB2 TRP A 29 6.335 -2.381 -10.460 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.823 -3.127 -9.984 1.00 0.00 H new ATOM 0 HD1 TRP A 29 3.876 0.182 -11.236 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.104 0.114 -13.704 1.00 0.00 H new ATOM 0 HE3 TRP A 29 5.634 -4.462 -12.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.249 -1.706 -15.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 5.278 -5.302 -14.729 1.00 0.00 H new ATOM 0 HH2 TRP A 29 4.104 -3.939 -16.407 1.00 0.00 H new ATOM 392 N LEU A 30 4.678 -1.766 -6.929 1.00 0.00 N ATOM 393 CA LEU A 30 5.023 -2.266 -5.602 1.00 0.00 C ATOM 394 C LEU A 30 4.903 -3.785 -5.545 1.00 0.00 C ATOM 395 O LEU A 30 3.801 -4.329 -5.468 1.00 0.00 O ATOM 396 CB LEU A 30 4.118 -1.631 -4.545 1.00 0.00 C ATOM 397 CG LEU A 30 4.187 -0.107 -4.430 1.00 0.00 C ATOM 398 CD1 LEU A 30 3.345 0.548 -5.514 1.00 0.00 C ATOM 399 CD2 LEU A 30 3.729 0.344 -3.051 1.00 0.00 C ATOM 0 H LEU A 30 3.698 -1.506 -7.040 1.00 0.00 H new ATOM 0 HA LEU A 30 6.058 -1.994 -5.396 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.087 -1.913 -4.761 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.369 -2.060 -3.575 1.00 0.00 H new ATOM 0 HG LEU A 30 5.223 0.203 -4.566 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.406 1.632 -5.417 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.718 0.250 -6.494 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.307 0.232 -5.409 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.784 1.431 -2.987 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.701 0.023 -2.886 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.373 -0.098 -2.291 1.00 0.00 H new ATOM 411 N LEU A 31 6.044 -4.465 -5.579 1.00 0.00 N ATOM 412 CA LEU A 31 6.068 -5.923 -5.528 1.00 0.00 C ATOM 413 C LEU A 31 5.495 -6.431 -4.209 1.00 0.00 C ATOM 414 O LEU A 31 5.749 -5.860 -3.148 1.00 0.00 O ATOM 415 CB LEU A 31 7.498 -6.436 -5.708 1.00 0.00 C ATOM 416 CG LEU A 31 7.689 -7.948 -5.582 1.00 0.00 C ATOM 417 CD1 LEU A 31 7.512 -8.623 -6.933 1.00 0.00 C ATOM 418 CD2 LEU A 31 9.059 -8.265 -5.000 1.00 0.00 C ATOM 0 H LEU A 31 6.965 -4.030 -5.642 1.00 0.00 H new ATOM 0 HA LEU A 31 5.448 -6.301 -6.341 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.853 -6.126 -6.691 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.134 -5.947 -4.970 1.00 0.00 H new ATOM 0 HG LEU A 31 6.929 -8.336 -4.904 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.652 -9.698 -6.823 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.509 -8.424 -7.311 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.248 -8.231 -7.635 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.178 -9.345 -4.917 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.834 -7.864 -5.653 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.148 -7.813 -4.012 1.00 0.00 H new ATOM 430 N LEU A 32 4.721 -7.509 -4.283 1.00 0.00 N ATOM 431 CA LEU A 32 4.114 -8.096 -3.094 1.00 0.00 C ATOM 432 C LEU A 32 4.593 -9.530 -2.889 1.00 0.00 C ATOM 433 O LEU A 32 3.822 -10.478 -3.034 1.00 0.00 O ATOM 434 CB LEU A 32 2.588 -8.068 -3.210 1.00 0.00 C ATOM 435 CG LEU A 32 1.934 -6.689 -3.116 1.00 0.00 C ATOM 436 CD1 LEU A 32 0.541 -6.717 -3.726 1.00 0.00 C ATOM 437 CD2 LEU A 32 1.875 -6.224 -1.669 1.00 0.00 C ATOM 0 H LEU A 32 4.500 -7.993 -5.153 1.00 0.00 H new ATOM 0 HA LEU A 32 4.418 -7.504 -2.231 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.308 -8.517 -4.163 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.172 -8.700 -2.425 1.00 0.00 H new ATOM 0 HG LEU A 32 2.541 -5.981 -3.679 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.091 -5.727 -3.650 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.609 -7.005 -4.775 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.076 -7.438 -3.191 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.407 -5.241 -1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.291 -6.933 -1.083 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.885 -6.164 -1.265 1.00 0.00 H new ATOM 449 N GLU A 33 5.869 -9.679 -2.550 1.00 0.00 N ATOM 450 CA GLU A 33 6.450 -10.997 -2.324 1.00 0.00 C ATOM 451 C GLU A 33 5.675 -11.757 -1.251 1.00 0.00 C ATOM 452 O GLU A 33 5.196 -11.167 -0.282 1.00 0.00 O ATOM 453 CB GLU A 33 7.918 -10.869 -1.913 1.00 0.00 C ATOM 454 CG GLU A 33 8.865 -11.693 -2.770 1.00 0.00 C ATOM 455 CD GLU A 33 9.294 -12.979 -2.093 1.00 0.00 C ATOM 456 OE1 GLU A 33 10.113 -12.909 -1.152 1.00 0.00 O ATOM 457 OE2 GLU A 33 8.813 -14.056 -2.503 1.00 0.00 O ATOM 0 H GLU A 33 6.520 -8.904 -2.426 1.00 0.00 H new ATOM 0 HA GLU A 33 6.389 -11.557 -3.257 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.212 -9.821 -1.967 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.023 -11.176 -0.872 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.380 -11.930 -3.717 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.748 -11.098 -3.004 1.00 0.00 H new ATOM 464 N ASP A 34 5.555 -13.067 -1.432 1.00 0.00 N ATOM 465 CA ASP A 34 4.839 -13.908 -0.480 1.00 0.00 C ATOM 466 C ASP A 34 5.562 -13.946 0.862 1.00 0.00 C ATOM 467 O ASP A 34 6.722 -14.347 0.943 1.00 0.00 O ATOM 468 CB ASP A 34 4.689 -15.327 -1.033 1.00 0.00 C ATOM 469 CG ASP A 34 4.341 -16.334 0.045 1.00 0.00 C ATOM 470 OD1 ASP A 34 5.266 -16.800 0.742 1.00 0.00 O ATOM 471 OD2 ASP A 34 3.143 -16.658 0.191 1.00 0.00 O ATOM 0 H ASP A 34 5.944 -13.570 -2.229 1.00 0.00 H new ATOM 0 HA ASP A 34 3.849 -13.479 -0.327 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.913 -15.335 -1.798 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.618 -15.625 -1.518 1.00 0.00 H new ATOM 476 N GLY A 35 4.867 -13.525 1.915 1.00 0.00 N ATOM 477 CA GLY A 35 5.459 -13.518 3.240 1.00 0.00 C ATOM 478 C GLY A 35 6.323 -12.296 3.483 1.00 0.00 C ATOM 479 O GLY A 35 7.158 -12.287 4.387 1.00 0.00 O ATOM 0 H GLY A 35 3.905 -13.189 1.874 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.667 -13.554 3.988 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.062 -14.417 3.370 1.00 0.00 H new ATOM 483 N CYS A 36 6.123 -11.262 2.673 1.00 0.00 N ATOM 484 CA CYS A 36 6.892 -10.029 2.802 1.00 0.00 C ATOM 485 C CYS A 36 5.969 -8.829 2.983 1.00 0.00 C ATOM 486 O CYS A 36 5.172 -8.509 2.101 1.00 0.00 O ATOM 487 CB CYS A 36 7.779 -9.826 1.572 1.00 0.00 C ATOM 488 SG CYS A 36 9.291 -10.816 1.581 1.00 0.00 S ATOM 0 H CYS A 36 5.435 -11.253 1.920 1.00 0.00 H new ATOM 0 HA CYS A 36 7.524 -10.114 3.686 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.204 -10.069 0.679 1.00 0.00 H new ATOM 0 HB3 CYS A 36 8.048 -8.772 1.501 1.00 0.00 H new ATOM 0 HG CYS A 36 9.973 -10.577 0.500 1.00 0.00 H new ATOM 494 N GLU A 37 6.081 -8.170 4.132 1.00 0.00 N ATOM 495 CA GLU A 37 5.255 -7.006 4.429 1.00 0.00 C ATOM 496 C GLU A 37 5.539 -5.872 3.448 1.00 0.00 C ATOM 497 O GLU A 37 6.690 -5.613 3.099 1.00 0.00 O ATOM 498 CB GLU A 37 5.501 -6.530 5.862 1.00 0.00 C ATOM 499 CG GLU A 37 4.464 -7.027 6.855 1.00 0.00 C ATOM 500 CD GLU A 37 5.005 -8.106 7.773 1.00 0.00 C ATOM 501 OE1 GLU A 37 5.369 -9.188 7.265 1.00 0.00 O ATOM 502 OE2 GLU A 37 5.065 -7.870 8.997 1.00 0.00 O ATOM 0 H GLU A 37 6.736 -8.423 4.872 1.00 0.00 H new ATOM 0 HA GLU A 37 4.210 -7.299 4.326 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.488 -6.864 6.182 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.513 -5.440 5.877 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.110 -6.189 7.455 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.603 -7.416 6.311 1.00 0.00 H new ATOM 509 N VAL A 38 4.480 -5.200 3.007 1.00 0.00 N ATOM 510 CA VAL A 38 4.615 -4.094 2.067 1.00 0.00 C ATOM 511 C VAL A 38 3.938 -2.836 2.598 1.00 0.00 C ATOM 512 O VAL A 38 2.794 -2.538 2.252 1.00 0.00 O ATOM 513 CB VAL A 38 4.012 -4.447 0.694 1.00 0.00 C ATOM 514 CG1 VAL A 38 4.139 -3.272 -0.264 1.00 0.00 C ATOM 515 CG2 VAL A 38 4.681 -5.687 0.122 1.00 0.00 C ATOM 0 H VAL A 38 3.520 -5.402 3.286 1.00 0.00 H new ATOM 0 HA VAL A 38 5.682 -3.907 1.950 1.00 0.00 H new ATOM 0 HB VAL A 38 2.952 -4.663 0.827 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.708 -3.540 -1.228 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.609 -2.411 0.144 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.192 -3.021 -0.395 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.243 -5.922 -0.848 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.749 -5.502 0.003 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.532 -6.527 0.801 1.00 0.00 H new ATOM 525 N THR A 39 4.652 -2.098 3.444 1.00 0.00 N ATOM 526 CA THR A 39 4.121 -0.872 4.025 1.00 0.00 C ATOM 527 C THR A 39 4.360 0.321 3.106 1.00 0.00 C ATOM 528 O THR A 39 5.463 0.509 2.592 1.00 0.00 O ATOM 529 CB THR A 39 4.752 -0.582 5.399 1.00 0.00 C ATOM 530 OG1 THR A 39 6.151 -0.312 5.248 1.00 0.00 O ATOM 531 CG2 THR A 39 4.557 -1.758 6.344 1.00 0.00 C ATOM 0 H THR A 39 5.600 -2.329 3.741 1.00 0.00 H new ATOM 0 HA THR A 39 3.049 -1.021 4.151 1.00 0.00 H new ATOM 0 HB THR A 39 4.257 0.291 5.824 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.604 -0.442 6.107 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.011 -1.529 7.308 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.491 -1.943 6.480 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.028 -2.646 5.922 1.00 0.00 H new ATOM 539 N VAL A 40 3.321 1.124 2.903 1.00 0.00 N ATOM 540 CA VAL A 40 3.420 2.301 2.048 1.00 0.00 C ATOM 541 C VAL A 40 3.135 3.576 2.832 1.00 0.00 C ATOM 542 O VAL A 40 2.331 3.578 3.764 1.00 0.00 O ATOM 543 CB VAL A 40 2.444 2.213 0.859 1.00 0.00 C ATOM 544 CG1 VAL A 40 2.676 3.364 -0.108 1.00 0.00 C ATOM 545 CG2 VAL A 40 2.587 0.874 0.151 1.00 0.00 C ATOM 0 H VAL A 40 2.401 0.981 3.319 1.00 0.00 H new ATOM 0 HA VAL A 40 4.442 2.333 1.669 1.00 0.00 H new ATOM 0 HB VAL A 40 1.426 2.290 1.240 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.978 3.285 -0.941 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.519 4.311 0.409 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.698 3.322 -0.485 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.890 0.829 -0.686 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.606 0.765 -0.219 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.367 0.067 0.850 1.00 0.00 H new ATOM 555 N GLY A 41 3.799 4.662 2.447 1.00 0.00 N ATOM 556 CA GLY A 41 3.603 5.930 3.125 1.00 0.00 C ATOM 557 C GLY A 41 4.617 6.976 2.703 1.00 0.00 C ATOM 558 O GLY A 41 5.209 6.877 1.628 1.00 0.00 O ATOM 0 H GLY A 41 4.469 4.686 1.678 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.598 6.298 2.918 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.670 5.777 4.202 1.00 0.00 H new ATOM 562 N ARG A 42 4.816 7.980 3.550 1.00 0.00 N ATOM 563 CA ARG A 42 5.763 9.049 3.258 1.00 0.00 C ATOM 564 C ARG A 42 7.057 8.860 4.045 1.00 0.00 C ATOM 565 O ARG A 42 8.107 9.377 3.666 1.00 0.00 O ATOM 566 CB ARG A 42 5.147 10.410 3.589 1.00 0.00 C ATOM 567 CG ARG A 42 4.785 10.573 5.057 1.00 0.00 C ATOM 568 CD ARG A 42 4.938 12.017 5.510 1.00 0.00 C ATOM 569 NE ARG A 42 5.369 12.110 6.902 1.00 0.00 N ATOM 570 CZ ARG A 42 4.543 12.001 7.937 1.00 0.00 C ATOM 571 NH1 ARG A 42 3.248 11.795 7.737 1.00 0.00 N ATOM 572 NH2 ARG A 42 5.011 12.097 9.175 1.00 0.00 N ATOM 0 H ARG A 42 4.334 8.076 4.444 1.00 0.00 H new ATOM 0 HA ARG A 42 5.996 9.012 2.194 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.848 11.195 3.307 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.251 10.551 2.985 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.758 10.247 5.218 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.423 9.930 5.664 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.662 12.523 4.871 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.988 12.538 5.389 1.00 0.00 H new ATOM 0 HE ARG A 42 6.359 12.267 7.090 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.884 11.720 6.787 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.616 11.712 8.533 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.006 12.255 9.333 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.375 12.013 9.968 1.00 0.00 H new ATOM 586 N GLY A 43 6.972 8.115 5.143 1.00 0.00 N ATOM 587 CA GLY A 43 8.143 7.871 5.965 1.00 0.00 C ATOM 588 C GLY A 43 9.273 7.226 5.189 1.00 0.00 C ATOM 589 O GLY A 43 9.160 7.002 3.983 1.00 0.00 O ATOM 0 H GLY A 43 6.114 7.676 5.478 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.489 8.814 6.388 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.868 7.229 6.802 1.00 0.00 H new ATOM 593 N PHE A 44 10.369 6.927 5.879 1.00 0.00 N ATOM 594 CA PHE A 44 11.526 6.307 5.246 1.00 0.00 C ATOM 595 C PHE A 44 11.596 4.819 5.579 1.00 0.00 C ATOM 596 O PHE A 44 12.150 4.027 4.819 1.00 0.00 O ATOM 597 CB PHE A 44 12.813 7.002 5.695 1.00 0.00 C ATOM 598 CG PHE A 44 13.193 6.702 7.117 1.00 0.00 C ATOM 599 CD1 PHE A 44 12.714 7.485 8.155 1.00 0.00 C ATOM 600 CD2 PHE A 44 14.028 5.637 7.415 1.00 0.00 C ATOM 601 CE1 PHE A 44 13.061 7.212 9.465 1.00 0.00 C ATOM 602 CE2 PHE A 44 14.378 5.359 8.723 1.00 0.00 C ATOM 603 CZ PHE A 44 13.895 6.148 9.749 1.00 0.00 C ATOM 0 H PHE A 44 10.480 7.104 6.877 1.00 0.00 H new ATOM 0 HA PHE A 44 11.420 6.416 4.167 1.00 0.00 H new ATOM 0 HB2 PHE A 44 13.628 6.699 5.038 1.00 0.00 H new ATOM 0 HB3 PHE A 44 12.694 8.079 5.579 1.00 0.00 H new ATOM 0 HD1 PHE A 44 12.062 8.318 7.938 1.00 0.00 H new ATOM 0 HD2 PHE A 44 14.409 5.018 6.617 1.00 0.00 H new ATOM 0 HE1 PHE A 44 12.681 7.830 10.265 1.00 0.00 H new ATOM 0 HE2 PHE A 44 15.029 4.525 8.943 1.00 0.00 H new ATOM 0 HZ PHE A 44 14.169 5.933 10.771 1.00 0.00 H new ATOM 613 N GLY A 45 11.030 4.448 6.724 1.00 0.00 N ATOM 614 CA GLY A 45 11.039 3.057 7.139 1.00 0.00 C ATOM 615 C GLY A 45 10.107 2.198 6.307 1.00 0.00 C ATOM 616 O GLY A 45 10.252 0.976 6.262 1.00 0.00 O ATOM 0 H GLY A 45 10.566 5.085 7.371 1.00 0.00 H new ATOM 0 HA2 GLY A 45 12.053 2.665 7.064 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.749 2.992 8.188 1.00 0.00 H new ATOM 620 N VAL A 46 9.146 2.837 5.647 1.00 0.00 N ATOM 621 CA VAL A 46 8.186 2.123 4.814 1.00 0.00 C ATOM 622 C VAL A 46 8.873 1.476 3.616 1.00 0.00 C ATOM 623 O VAL A 46 9.903 1.956 3.142 1.00 0.00 O ATOM 624 CB VAL A 46 7.074 3.061 4.309 1.00 0.00 C ATOM 625 CG1 VAL A 46 6.172 3.487 5.458 1.00 0.00 C ATOM 626 CG2 VAL A 46 7.675 4.274 3.615 1.00 0.00 C ATOM 0 H VAL A 46 9.012 3.848 5.673 1.00 0.00 H new ATOM 0 HA VAL A 46 7.741 1.347 5.437 1.00 0.00 H new ATOM 0 HB VAL A 46 6.467 2.519 3.584 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.392 4.149 5.082 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.714 2.606 5.907 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.763 4.011 6.209 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.875 4.926 3.264 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.306 4.819 4.317 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.275 3.947 2.766 1.00 0.00 H new ATOM 636 N THR A 47 8.295 0.383 3.128 1.00 0.00 N ATOM 637 CA THR A 47 8.850 -0.331 1.985 1.00 0.00 C ATOM 638 C THR A 47 8.879 0.555 0.745 1.00 0.00 C ATOM 639 O THR A 47 9.920 0.713 0.107 1.00 0.00 O ATOM 640 CB THR A 47 8.045 -1.606 1.674 1.00 0.00 C ATOM 641 OG1 THR A 47 7.842 -2.362 2.872 1.00 0.00 O ATOM 642 CG2 THR A 47 8.765 -2.462 0.643 1.00 0.00 C ATOM 0 H THR A 47 7.442 -0.027 3.507 1.00 0.00 H new ATOM 0 HA THR A 47 9.869 -0.611 2.251 1.00 0.00 H new ATOM 0 HB THR A 47 7.079 -1.309 1.265 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.783 -3.315 2.651 1.00 0.00 H new ATOM 0 HG21 THR A 47 8.178 -3.357 0.439 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.891 -1.893 -0.278 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.743 -2.750 1.028 1.00 0.00 H new ATOM 650 N TYR A 48 7.730 1.131 0.408 1.00 0.00 N ATOM 651 CA TYR A 48 7.623 1.999 -0.758 1.00 0.00 C ATOM 652 C TYR A 48 7.136 3.389 -0.359 1.00 0.00 C ATOM 653 O TYR A 48 5.970 3.572 -0.010 1.00 0.00 O ATOM 654 CB TYR A 48 6.672 1.390 -1.789 1.00 0.00 C ATOM 655 CG TYR A 48 7.074 0.003 -2.238 1.00 0.00 C ATOM 656 CD1 TYR A 48 8.148 -0.186 -3.099 1.00 0.00 C ATOM 657 CD2 TYR A 48 6.380 -1.119 -1.802 1.00 0.00 C ATOM 658 CE1 TYR A 48 8.519 -1.451 -3.513 1.00 0.00 C ATOM 659 CE2 TYR A 48 6.744 -2.387 -2.209 1.00 0.00 C ATOM 660 CZ TYR A 48 7.814 -2.548 -3.064 1.00 0.00 C ATOM 661 OH TYR A 48 8.179 -3.810 -3.473 1.00 0.00 O ATOM 0 H TYR A 48 6.860 1.012 0.926 1.00 0.00 H new ATOM 0 HA TYR A 48 8.615 2.094 -1.201 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.668 1.349 -1.366 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.625 2.045 -2.659 1.00 0.00 H new ATOM 0 HD1 TYR A 48 8.703 0.671 -3.451 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.541 -0.997 -1.133 1.00 0.00 H new ATOM 0 HE1 TYR A 48 9.356 -1.580 -4.184 1.00 0.00 H new ATOM 0 HE2 TYR A 48 6.194 -3.248 -1.860 1.00 0.00 H new ATOM 0 HH TYR A 48 7.421 -4.421 -3.364 1.00 0.00 H new ATOM 671 N GLN A 49 8.038 4.364 -0.414 1.00 0.00 N ATOM 672 CA GLN A 49 7.701 5.737 -0.059 1.00 0.00 C ATOM 673 C GLN A 49 7.038 6.455 -1.230 1.00 0.00 C ATOM 674 O GLN A 49 7.346 6.185 -2.392 1.00 0.00 O ATOM 675 CB GLN A 49 8.955 6.496 0.377 1.00 0.00 C ATOM 676 CG GLN A 49 8.715 7.977 0.624 1.00 0.00 C ATOM 677 CD GLN A 49 9.992 8.730 0.941 1.00 0.00 C ATOM 678 OE1 GLN A 49 10.617 9.314 0.056 1.00 0.00 O ATOM 679 NE2 GLN A 49 10.385 8.721 2.209 1.00 0.00 N ATOM 0 H GLN A 49 9.007 4.228 -0.701 1.00 0.00 H new ATOM 0 HA GLN A 49 6.996 5.708 0.772 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.345 6.043 1.288 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.722 6.384 -0.389 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.247 8.417 -0.257 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.014 8.095 1.450 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.836 8.224 2.910 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.236 9.212 2.483 1.00 0.00 H new ATOM 688 N LEU A 50 6.128 7.371 -0.918 1.00 0.00 N ATOM 689 CA LEU A 50 5.421 8.128 -1.944 1.00 0.00 C ATOM 690 C LEU A 50 5.430 9.620 -1.624 1.00 0.00 C ATOM 691 O LEU A 50 4.800 10.062 -0.663 1.00 0.00 O ATOM 692 CB LEU A 50 3.980 7.631 -2.072 1.00 0.00 C ATOM 693 CG LEU A 50 3.796 6.114 -2.126 1.00 0.00 C ATOM 694 CD1 LEU A 50 2.319 5.758 -2.201 1.00 0.00 C ATOM 695 CD2 LEU A 50 4.549 5.527 -3.310 1.00 0.00 C ATOM 0 H LEU A 50 5.862 7.607 0.038 1.00 0.00 H new ATOM 0 HA LEU A 50 5.937 7.975 -2.892 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.407 8.017 -1.228 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.547 8.062 -2.975 1.00 0.00 H new ATOM 0 HG LEU A 50 4.206 5.685 -1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.207 4.674 -2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.806 6.145 -1.320 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.884 6.199 -3.098 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.407 4.447 -3.332 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.170 5.962 -4.234 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.611 5.751 -3.213 1.00 0.00 H new ATOM 707 N VAL A 51 6.146 10.390 -2.436 1.00 0.00 N ATOM 708 CA VAL A 51 6.234 11.833 -2.241 1.00 0.00 C ATOM 709 C VAL A 51 5.793 12.584 -3.492 1.00 0.00 C ATOM 710 O VAL A 51 6.077 12.164 -4.613 1.00 0.00 O ATOM 711 CB VAL A 51 7.667 12.263 -1.875 1.00 0.00 C ATOM 712 CG1 VAL A 51 7.744 13.772 -1.703 1.00 0.00 C ATOM 713 CG2 VAL A 51 8.131 11.550 -0.614 1.00 0.00 C ATOM 0 H VAL A 51 6.674 10.039 -3.235 1.00 0.00 H new ATOM 0 HA VAL A 51 5.566 12.083 -1.417 1.00 0.00 H new ATOM 0 HB VAL A 51 8.332 11.980 -2.691 1.00 0.00 H new ATOM 0 HG11 VAL A 51 8.764 14.057 -1.445 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.456 14.260 -2.634 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.068 14.082 -0.907 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.145 11.866 -0.370 1.00 0.00 H new ATOM 0 HG22 VAL A 51 7.465 11.800 0.212 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.116 10.473 -0.779 1.00 0.00 H new ATOM 723 N SER A 52 5.098 13.699 -3.291 1.00 0.00 N ATOM 724 CA SER A 52 4.614 14.509 -4.404 1.00 0.00 C ATOM 725 C SER A 52 5.002 15.973 -4.219 1.00 0.00 C ATOM 726 O SER A 52 5.705 16.327 -3.272 1.00 0.00 O ATOM 727 CB SER A 52 3.094 14.384 -4.530 1.00 0.00 C ATOM 728 OG SER A 52 2.687 14.465 -5.885 1.00 0.00 O ATOM 0 H SER A 52 4.857 14.062 -2.369 1.00 0.00 H new ATOM 0 HA SER A 52 5.079 14.141 -5.319 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.767 13.435 -4.105 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.612 15.174 -3.954 1.00 0.00 H new ATOM 0 HG SER A 52 1.712 14.381 -5.939 1.00 0.00 H new ATOM 734 N LYS A 53 4.540 16.820 -5.132 1.00 0.00 N ATOM 735 CA LYS A 53 4.836 18.247 -5.071 1.00 0.00 C ATOM 736 C LYS A 53 3.561 19.059 -4.870 1.00 0.00 C ATOM 737 O LYS A 53 3.597 20.164 -4.328 1.00 0.00 O ATOM 738 CB LYS A 53 5.543 18.697 -6.352 1.00 0.00 C ATOM 739 CG LYS A 53 6.961 18.169 -6.481 1.00 0.00 C ATOM 740 CD LYS A 53 7.878 18.770 -5.429 1.00 0.00 C ATOM 741 CE LYS A 53 8.775 17.714 -4.802 1.00 0.00 C ATOM 742 NZ LYS A 53 10.112 17.664 -5.455 1.00 0.00 N ATOM 0 H LYS A 53 3.959 16.543 -5.923 1.00 0.00 H new ATOM 0 HA LYS A 53 5.494 18.420 -4.219 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.962 18.367 -7.213 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.566 19.786 -6.381 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.956 17.083 -6.383 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.346 18.398 -7.475 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.492 19.548 -5.882 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.280 19.248 -4.653 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.897 17.925 -3.740 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.296 16.738 -4.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.694 16.932 -4.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.998 17.437 -6.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.580 18.588 -5.359 1.00 0.00 H new ATOM 756 N ILE A 54 2.436 18.504 -5.308 1.00 0.00 N ATOM 757 CA ILE A 54 1.149 19.177 -5.173 1.00 0.00 C ATOM 758 C ILE A 54 0.606 19.045 -3.754 1.00 0.00 C ATOM 759 O ILE A 54 0.576 20.015 -2.997 1.00 0.00 O ATOM 760 CB ILE A 54 0.113 18.613 -6.162 1.00 0.00 C ATOM 761 CG1 ILE A 54 0.615 18.760 -7.600 1.00 0.00 C ATOM 762 CG2 ILE A 54 -1.224 19.319 -5.988 1.00 0.00 C ATOM 763 CD1 ILE A 54 0.923 20.189 -7.990 1.00 0.00 C ATOM 0 H ILE A 54 2.389 17.590 -5.759 1.00 0.00 H new ATOM 0 HA ILE A 54 1.318 20.230 -5.398 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.027 17.553 -5.953 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.514 18.156 -7.726 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.136 18.360 -8.281 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.946 18.909 -6.694 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.585 19.168 -4.971 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.099 20.386 -6.174 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.274 20.217 -9.022 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.021 20.794 -7.897 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.696 20.587 -7.333 1.00 0.00 H new ATOM 775 N CYS A 55 0.180 17.837 -3.400 1.00 0.00 N ATOM 776 CA CYS A 55 -0.362 17.577 -2.071 1.00 0.00 C ATOM 777 C CYS A 55 0.327 16.377 -1.429 1.00 0.00 C ATOM 778 O CYS A 55 -0.242 15.291 -1.316 1.00 0.00 O ATOM 779 CB CYS A 55 -1.869 17.333 -2.151 1.00 0.00 C ATOM 780 SG CYS A 55 -2.818 18.760 -2.727 1.00 0.00 S ATOM 0 H CYS A 55 0.200 17.023 -4.014 1.00 0.00 H new ATOM 0 HA CYS A 55 -0.176 18.454 -1.451 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.055 16.492 -2.820 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -2.232 17.043 -1.165 1.00 0.00 H new ATOM 0 HG CYS A 55 -3.282 18.521 -3.918 1.00 0.00 H new ATOM 786 N PRO A 56 1.582 16.574 -1.000 1.00 0.00 N ATOM 787 CA PRO A 56 2.376 15.519 -0.363 1.00 0.00 C ATOM 788 C PRO A 56 1.855 15.158 1.024 1.00 0.00 C ATOM 789 O PRO A 56 2.183 14.102 1.566 1.00 0.00 O ATOM 790 CB PRO A 56 3.773 16.137 -0.265 1.00 0.00 C ATOM 791 CG PRO A 56 3.536 17.608 -0.246 1.00 0.00 C ATOM 792 CD PRO A 56 2.323 17.843 -1.103 1.00 0.00 C ATOM 0 HA PRO A 56 2.345 14.588 -0.929 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.289 15.808 0.637 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.395 15.847 -1.112 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.370 17.963 0.771 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.399 18.147 -0.635 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.732 18.684 -0.741 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.597 18.066 -2.134 1.00 0.00 H new ATOM 800 N LEU A 57 1.041 16.041 1.593 1.00 0.00 N ATOM 801 CA LEU A 57 0.472 15.814 2.917 1.00 0.00 C ATOM 802 C LEU A 57 -0.676 14.813 2.853 1.00 0.00 C ATOM 803 O LEU A 57 -1.013 14.175 3.850 1.00 0.00 O ATOM 804 CB LEU A 57 -0.019 17.134 3.515 1.00 0.00 C ATOM 805 CG LEU A 57 1.050 18.199 3.760 1.00 0.00 C ATOM 806 CD1 LEU A 57 0.406 19.536 4.092 1.00 0.00 C ATOM 807 CD2 LEU A 57 1.989 17.765 4.876 1.00 0.00 C ATOM 0 H LEU A 57 0.760 16.920 1.158 1.00 0.00 H new ATOM 0 HA LEU A 57 1.253 15.401 3.555 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.774 17.552 2.850 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.513 16.919 4.463 1.00 0.00 H new ATOM 0 HG LEU A 57 1.633 18.317 2.847 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.183 20.281 4.263 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.224 19.853 3.261 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.203 19.434 4.990 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.743 18.535 5.037 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.420 17.618 5.794 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.477 16.831 4.598 1.00 0.00 H new ATOM 819 N MET A 58 -1.272 14.679 1.673 1.00 0.00 N ATOM 820 CA MET A 58 -2.381 13.752 1.478 1.00 0.00 C ATOM 821 C MET A 58 -2.018 12.357 1.979 1.00 0.00 C ATOM 822 O MET A 58 -2.883 11.604 2.428 1.00 0.00 O ATOM 823 CB MET A 58 -2.769 13.690 0.000 1.00 0.00 C ATOM 824 CG MET A 58 -4.146 13.093 -0.243 1.00 0.00 C ATOM 825 SD MET A 58 -4.930 13.738 -1.733 1.00 0.00 S ATOM 826 CE MET A 58 -5.724 15.208 -1.088 1.00 0.00 C ATOM 0 H MET A 58 -1.006 15.200 0.838 1.00 0.00 H new ATOM 0 HA MET A 58 -3.231 14.116 2.054 1.00 0.00 H new ATOM 0 HB2 MET A 58 -2.740 14.697 -0.417 1.00 0.00 H new ATOM 0 HB3 MET A 58 -2.026 13.100 -0.538 1.00 0.00 H new ATOM 0 HG2 MET A 58 -4.059 12.009 -0.323 1.00 0.00 H new ATOM 0 HG3 MET A 58 -4.784 13.299 0.617 1.00 0.00 H new ATOM 0 HE1 MET A 58 -6.702 15.327 -1.554 1.00 0.00 H new ATOM 0 HE2 MET A 58 -5.845 15.113 -0.009 1.00 0.00 H new ATOM 0 HE3 MET A 58 -5.109 16.080 -1.308 1.00 0.00 H new ATOM 836 N ILE A 59 -0.735 12.020 1.898 1.00 0.00 N ATOM 837 CA ILE A 59 -0.260 10.716 2.344 1.00 0.00 C ATOM 838 C ILE A 59 0.454 10.821 3.687 1.00 0.00 C ATOM 839 O ILE A 59 1.227 11.751 3.920 1.00 0.00 O ATOM 840 CB ILE A 59 0.697 10.084 1.315 1.00 0.00 C ATOM 841 CG1 ILE A 59 0.023 10.001 -0.056 1.00 0.00 C ATOM 842 CG2 ILE A 59 1.138 8.704 1.780 1.00 0.00 C ATOM 843 CD1 ILE A 59 -1.274 9.222 -0.046 1.00 0.00 C ATOM 0 H ILE A 59 -0.007 12.631 1.528 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.138 10.080 2.451 1.00 0.00 H new ATOM 0 HB ILE A 59 1.581 10.715 1.226 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.172 11.011 -0.418 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.711 9.536 -0.762 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.814 8.270 1.043 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.652 8.790 2.737 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.265 8.062 1.894 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.696 9.205 -1.051 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.083 8.201 0.285 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.979 9.698 0.635 1.00 0.00 H new ATOM 855 N SER A 60 0.191 9.861 4.568 1.00 0.00 N ATOM 856 CA SER A 60 0.806 9.846 5.890 1.00 0.00 C ATOM 857 C SER A 60 1.686 8.612 6.066 1.00 0.00 C ATOM 858 O SER A 60 1.587 7.652 5.302 1.00 0.00 O ATOM 859 CB SER A 60 -0.269 9.879 6.977 1.00 0.00 C ATOM 860 OG SER A 60 0.165 10.625 8.102 1.00 0.00 O ATOM 0 H SER A 60 -0.444 9.083 4.390 1.00 0.00 H new ATOM 0 HA SER A 60 1.432 10.734 5.982 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.183 10.318 6.576 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.512 8.862 7.283 1.00 0.00 H new ATOM 0 HG SER A 60 -0.541 10.632 8.782 1.00 0.00 H new ATOM 866 N ARG A 61 2.546 8.646 7.078 1.00 0.00 N ATOM 867 CA ARG A 61 3.444 7.531 7.355 1.00 0.00 C ATOM 868 C ARG A 61 2.661 6.234 7.536 1.00 0.00 C ATOM 869 O ARG A 61 1.728 6.168 8.335 1.00 0.00 O ATOM 870 CB ARG A 61 4.275 7.817 8.607 1.00 0.00 C ATOM 871 CG ARG A 61 5.524 6.958 8.718 1.00 0.00 C ATOM 872 CD ARG A 61 6.499 7.522 9.740 1.00 0.00 C ATOM 873 NE ARG A 61 5.894 7.649 11.063 1.00 0.00 N ATOM 874 CZ ARG A 61 5.649 6.615 11.861 1.00 0.00 C ATOM 875 NH1 ARG A 61 5.958 5.386 11.473 1.00 0.00 N ATOM 876 NH2 ARG A 61 5.096 6.811 13.051 1.00 0.00 N ATOM 0 H ARG A 61 2.640 9.433 7.720 1.00 0.00 H new ATOM 0 HA ARG A 61 4.113 7.415 6.502 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.566 8.868 8.608 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.655 7.657 9.489 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.245 5.943 9.001 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.011 6.895 7.745 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.374 6.874 9.802 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.849 8.499 9.406 1.00 0.00 H new ATOM 0 HE ARG A 61 5.646 8.582 11.392 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.385 5.232 10.560 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.769 4.594 12.088 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.859 7.756 13.354 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.908 6.017 13.663 1.00 0.00 H new ATOM 890 N ASN A 62 3.049 5.206 6.789 1.00 0.00 N ATOM 891 CA ASN A 62 2.382 3.911 6.866 1.00 0.00 C ATOM 892 C ASN A 62 0.890 4.049 6.580 1.00 0.00 C ATOM 893 O ASN A 62 0.055 3.522 7.315 1.00 0.00 O ATOM 894 CB ASN A 62 2.593 3.287 8.247 1.00 0.00 C ATOM 895 CG ASN A 62 3.967 2.664 8.397 1.00 0.00 C ATOM 896 OD1 ASN A 62 4.965 3.366 8.560 1.00 0.00 O ATOM 897 ND2 ASN A 62 4.024 1.338 8.341 1.00 0.00 N ATOM 0 H ASN A 62 3.821 5.244 6.124 1.00 0.00 H new ATOM 0 HA ASN A 62 2.819 3.259 6.109 1.00 0.00 H new ATOM 0 HB2 ASN A 62 2.458 4.051 9.012 1.00 0.00 H new ATOM 0 HB3 ASN A 62 1.832 2.526 8.419 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.921 0.862 8.435 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.171 0.796 8.204 1.00 0.00 H new ATOM 904 N HIS A 63 0.562 4.761 5.506 1.00 0.00 N ATOM 905 CA HIS A 63 -0.829 4.967 5.122 1.00 0.00 C ATOM 906 C HIS A 63 -1.574 3.638 5.040 1.00 0.00 C ATOM 907 O HIS A 63 -2.780 3.575 5.282 1.00 0.00 O ATOM 908 CB HIS A 63 -0.907 5.692 3.777 1.00 0.00 C ATOM 909 CG HIS A 63 -2.203 6.409 3.558 1.00 0.00 C ATOM 910 ND1 HIS A 63 -2.356 7.765 3.759 1.00 0.00 N ATOM 911 CD2 HIS A 63 -3.410 5.953 3.150 1.00 0.00 C ATOM 912 CE1 HIS A 63 -3.602 8.110 3.487 1.00 0.00 C ATOM 913 NE2 HIS A 63 -4.262 7.029 3.114 1.00 0.00 N ATOM 0 H HIS A 63 1.241 5.204 4.887 1.00 0.00 H new ATOM 0 HA HIS A 63 -1.303 5.582 5.887 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.089 6.409 3.712 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.761 4.969 2.975 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.657 4.932 2.899 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -4.011 9.107 3.558 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -5.245 6.998 2.843 1.00 0.00 H new ATOM 921 N CYS A 64 -0.848 2.579 4.698 1.00 0.00 N ATOM 922 CA CYS A 64 -1.440 1.251 4.584 1.00 0.00 C ATOM 923 C CYS A 64 -0.378 0.167 4.736 1.00 0.00 C ATOM 924 O CYS A 64 0.820 0.452 4.731 1.00 0.00 O ATOM 925 CB CYS A 64 -2.150 1.101 3.237 1.00 0.00 C ATOM 926 SG CYS A 64 -1.031 0.994 1.821 1.00 0.00 S ATOM 0 H CYS A 64 0.151 2.614 4.495 1.00 0.00 H new ATOM 0 HA CYS A 64 -2.169 1.135 5.386 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.772 0.206 3.264 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -2.819 1.950 3.095 1.00 0.00 H new ATOM 0 HG CYS A 64 -1.724 0.867 0.729 1.00 0.00 H new ATOM 932 N VAL A 65 -0.825 -1.077 4.873 1.00 0.00 N ATOM 933 CA VAL A 65 0.087 -2.204 5.028 1.00 0.00 C ATOM 934 C VAL A 65 -0.513 -3.480 4.447 1.00 0.00 C ATOM 935 O VAL A 65 -1.600 -3.903 4.841 1.00 0.00 O ATOM 936 CB VAL A 65 0.438 -2.443 6.509 1.00 0.00 C ATOM 937 CG1 VAL A 65 1.364 -3.641 6.652 1.00 0.00 C ATOM 938 CG2 VAL A 65 1.067 -1.197 7.114 1.00 0.00 C ATOM 0 H VAL A 65 -1.813 -1.330 4.880 1.00 0.00 H new ATOM 0 HA VAL A 65 0.997 -1.952 4.483 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.482 -2.659 7.053 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.601 -3.794 7.705 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.872 -4.530 6.258 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.284 -3.458 6.096 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.309 -1.383 8.160 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.978 -0.948 6.570 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.365 -0.366 7.046 1.00 0.00 H new ATOM 948 N LEU A 66 0.203 -4.089 3.508 1.00 0.00 N ATOM 949 CA LEU A 66 -0.258 -5.318 2.872 1.00 0.00 C ATOM 950 C LEU A 66 0.430 -6.536 3.480 1.00 0.00 C ATOM 951 O LEU A 66 1.603 -6.482 3.848 1.00 0.00 O ATOM 952 CB LEU A 66 0.008 -5.267 1.366 1.00 0.00 C ATOM 953 CG LEU A 66 -0.964 -4.421 0.542 1.00 0.00 C ATOM 954 CD1 LEU A 66 -0.317 -3.105 0.140 1.00 0.00 C ATOM 955 CD2 LEU A 66 -1.426 -5.188 -0.689 1.00 0.00 C ATOM 0 H LEU A 66 1.105 -3.752 3.170 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.331 -5.406 3.043 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.016 -4.884 1.208 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.010 -6.286 0.979 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.836 -4.200 1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.023 -2.516 -0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.036 -2.550 1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.572 -3.304 -0.458 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.117 -4.571 -1.264 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.563 -5.439 -1.307 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.929 -6.104 -0.379 1.00 0.00 H new ATOM 967 N LYS A 67 -0.308 -7.637 3.580 1.00 0.00 N ATOM 968 CA LYS A 67 0.230 -8.871 4.139 1.00 0.00 C ATOM 969 C LYS A 67 -0.760 -10.020 3.976 1.00 0.00 C ATOM 970 O LYS A 67 -1.972 -9.809 3.973 1.00 0.00 O ATOM 971 CB LYS A 67 0.566 -8.680 5.620 1.00 0.00 C ATOM 972 CG LYS A 67 -0.628 -8.279 6.468 1.00 0.00 C ATOM 973 CD LYS A 67 -0.309 -7.086 7.353 1.00 0.00 C ATOM 974 CE LYS A 67 0.146 -7.524 8.737 1.00 0.00 C ATOM 975 NZ LYS A 67 -0.808 -7.096 9.796 1.00 0.00 N ATOM 0 H LYS A 67 -1.281 -7.699 3.281 1.00 0.00 H new ATOM 0 HA LYS A 67 1.141 -9.120 3.595 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.984 -9.607 6.012 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.339 -7.918 5.713 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.471 -8.037 5.820 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.934 -9.121 7.088 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.470 -6.484 6.886 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.191 -6.452 7.443 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.250 -8.609 8.759 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.131 -7.105 8.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.462 -7.414 10.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.888 -6.059 9.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.742 -7.516 9.612 1.00 0.00 H new ATOM 989 N GLN A 68 -0.235 -11.233 3.843 1.00 0.00 N ATOM 990 CA GLN A 68 -1.074 -12.415 3.680 1.00 0.00 C ATOM 991 C GLN A 68 -1.530 -12.949 5.034 1.00 0.00 C ATOM 992 O GLN A 68 -0.717 -13.400 5.840 1.00 0.00 O ATOM 993 CB GLN A 68 -0.317 -13.503 2.918 1.00 0.00 C ATOM 994 CG GLN A 68 0.111 -13.082 1.521 1.00 0.00 C ATOM 995 CD GLN A 68 0.983 -14.119 0.841 1.00 0.00 C ATOM 996 OE1 GLN A 68 2.132 -14.332 1.229 1.00 0.00 O ATOM 997 NE2 GLN A 68 0.441 -14.770 -0.181 1.00 0.00 N ATOM 0 H GLN A 68 0.767 -11.424 3.845 1.00 0.00 H new ATOM 0 HA GLN A 68 -1.956 -12.128 3.107 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.567 -13.787 3.489 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.948 -14.389 2.844 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.775 -12.902 0.912 1.00 0.00 H new ATOM 0 HG3 GLN A 68 0.654 -12.139 1.580 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -0.515 -14.562 -0.469 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.981 -15.479 -0.678 1.00 0.00 H new ATOM 1006 N ASN A 69 -2.836 -12.894 5.277 1.00 0.00 N ATOM 1007 CA ASN A 69 -3.400 -13.372 6.534 1.00 0.00 C ATOM 1008 C ASN A 69 -2.924 -14.789 6.840 1.00 0.00 C ATOM 1009 O ASN A 69 -2.468 -15.521 5.961 1.00 0.00 O ATOM 1010 CB ASN A 69 -4.928 -13.336 6.477 1.00 0.00 C ATOM 1011 CG ASN A 69 -5.479 -14.050 5.258 1.00 0.00 C ATOM 1012 OD1 ASN A 69 -4.940 -15.070 4.826 1.00 0.00 O ATOM 1013 ND2 ASN A 69 -6.558 -13.517 4.697 1.00 0.00 N ATOM 0 H ASN A 69 -3.523 -12.523 4.620 1.00 0.00 H new ATOM 0 HA ASN A 69 -3.057 -12.713 7.332 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.333 -13.796 7.378 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.264 -12.299 6.470 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.974 -13.954 3.874 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.971 -12.671 5.089 1.00 0.00 H new ATOM 1020 N PRO A 70 -3.033 -15.187 8.116 1.00 0.00 N ATOM 1021 CA PRO A 70 -2.621 -16.520 8.568 1.00 0.00 C ATOM 1022 C PRO A 70 -3.183 -17.630 7.687 1.00 0.00 C ATOM 1023 O PRO A 70 -2.601 -18.709 7.587 1.00 0.00 O ATOM 1024 CB PRO A 70 -3.203 -16.611 9.981 1.00 0.00 C ATOM 1025 CG PRO A 70 -3.290 -15.199 10.446 1.00 0.00 C ATOM 1026 CD PRO A 70 -3.567 -14.367 9.216 1.00 0.00 C ATOM 0 HA PRO A 70 -1.539 -16.647 8.529 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.183 -17.087 9.975 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -2.564 -17.205 10.635 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -4.084 -15.080 11.183 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -2.361 -14.889 10.925 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -4.633 -14.176 9.093 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -3.073 -13.397 9.269 1.00 0.00 H new ATOM 1034 N GLU A 71 -4.318 -17.357 7.051 1.00 0.00 N ATOM 1035 CA GLU A 71 -4.959 -18.335 6.179 1.00 0.00 C ATOM 1036 C GLU A 71 -4.110 -18.595 4.938 1.00 0.00 C ATOM 1037 O GLU A 71 -4.002 -19.729 4.473 1.00 0.00 O ATOM 1038 CB GLU A 71 -6.350 -17.849 5.767 1.00 0.00 C ATOM 1039 CG GLU A 71 -7.189 -17.348 6.930 1.00 0.00 C ATOM 1040 CD GLU A 71 -8.678 -17.489 6.678 1.00 0.00 C ATOM 1041 OE1 GLU A 71 -9.100 -17.334 5.513 1.00 0.00 O ATOM 1042 OE2 GLU A 71 -9.421 -17.755 7.646 1.00 0.00 O ATOM 0 H GLU A 71 -4.812 -16.468 7.123 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.058 -19.269 6.733 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.244 -17.048 5.035 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.879 -18.664 5.273 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.923 -17.901 7.830 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.954 -16.301 7.118 1.00 0.00 H new ATOM 1049 N GLY A 72 -3.510 -17.534 4.405 1.00 0.00 N ATOM 1050 CA GLY A 72 -2.680 -17.668 3.223 1.00 0.00 C ATOM 1051 C GLY A 72 -3.194 -16.847 2.057 1.00 0.00 C ATOM 1052 O GLY A 72 -2.895 -17.145 0.901 1.00 0.00 O ATOM 0 H GLY A 72 -3.584 -16.585 4.771 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.662 -17.358 3.461 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.634 -18.717 2.932 1.00 0.00 H new ATOM 1056 N GLN A 73 -3.971 -15.812 2.361 1.00 0.00 N ATOM 1057 CA GLN A 73 -4.529 -14.947 1.329 1.00 0.00 C ATOM 1058 C GLN A 73 -4.129 -13.494 1.561 1.00 0.00 C ATOM 1059 O GLN A 73 -4.144 -13.009 2.692 1.00 0.00 O ATOM 1060 CB GLN A 73 -6.054 -15.071 1.301 1.00 0.00 C ATOM 1061 CG GLN A 73 -6.731 -14.042 0.410 1.00 0.00 C ATOM 1062 CD GLN A 73 -6.326 -14.172 -1.045 1.00 0.00 C ATOM 1063 OE1 GLN A 73 -5.697 -15.154 -1.440 1.00 0.00 O ATOM 1064 NE2 GLN A 73 -6.684 -13.180 -1.851 1.00 0.00 N ATOM 0 H GLN A 73 -4.228 -15.553 3.313 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.127 -15.265 0.367 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -6.323 -16.070 0.958 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -6.437 -14.969 2.316 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.812 -14.151 0.493 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.483 -13.041 0.764 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.205 -12.385 -1.481 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -6.438 -13.213 -2.840 1.00 0.00 H new ATOM 1073 N TRP A 74 -3.772 -12.805 0.483 1.00 0.00 N ATOM 1074 CA TRP A 74 -3.367 -11.407 0.569 1.00 0.00 C ATOM 1075 C TRP A 74 -4.516 -10.537 1.067 1.00 0.00 C ATOM 1076 O TRP A 74 -5.660 -10.697 0.640 1.00 0.00 O ATOM 1077 CB TRP A 74 -2.888 -10.908 -0.795 1.00 0.00 C ATOM 1078 CG TRP A 74 -1.442 -11.201 -1.060 1.00 0.00 C ATOM 1079 CD1 TRP A 74 -0.939 -12.108 -1.948 1.00 0.00 C ATOM 1080 CD2 TRP A 74 -0.314 -10.584 -0.430 1.00 0.00 C ATOM 1081 NE1 TRP A 74 0.434 -12.093 -1.908 1.00 0.00 N ATOM 1082 CE2 TRP A 74 0.843 -11.166 -0.986 1.00 0.00 C ATOM 1083 CE3 TRP A 74 -0.167 -9.596 0.547 1.00 0.00 C ATOM 1084 CZ2 TRP A 74 2.125 -10.793 -0.594 1.00 0.00 C ATOM 1085 CZ3 TRP A 74 1.107 -9.226 0.934 1.00 0.00 C ATOM 1086 CH2 TRP A 74 2.239 -9.823 0.365 1.00 0.00 C ATOM 0 H TRP A 74 -3.755 -13.192 -0.461 1.00 0.00 H new ATOM 0 HA TRP A 74 -2.546 -11.336 1.283 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -3.494 -11.368 -1.576 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -3.051 -9.832 -0.858 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -1.533 -12.744 -2.588 1.00 0.00 H new ATOM 0 HE1 TRP A 74 1.050 -12.678 -2.473 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -1.034 -9.130 0.992 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 2.999 -11.253 -1.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 1.232 -8.463 1.688 1.00 0.00 H new ATOM 0 HH2 TRP A 74 3.221 -9.512 0.689 1.00 0.00 H new ATOM 1097 N THR A 75 -4.206 -9.615 1.974 1.00 0.00 N ATOM 1098 CA THR A 75 -5.213 -8.721 2.531 1.00 0.00 C ATOM 1099 C THR A 75 -4.626 -7.345 2.820 1.00 0.00 C ATOM 1100 O THR A 75 -3.507 -7.230 3.321 1.00 0.00 O ATOM 1101 CB THR A 75 -5.816 -9.293 3.827 1.00 0.00 C ATOM 1102 OG1 THR A 75 -4.815 -9.351 4.850 1.00 0.00 O ATOM 1103 CG2 THR A 75 -6.389 -10.682 3.591 1.00 0.00 C ATOM 0 H THR A 75 -3.265 -9.468 2.338 1.00 0.00 H new ATOM 0 HA THR A 75 -6.001 -8.627 1.784 1.00 0.00 H new ATOM 0 HB THR A 75 -6.623 -8.634 4.147 1.00 0.00 H new ATOM 0 HG1 THR A 75 -3.928 -9.409 4.437 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.809 -11.065 4.521 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.171 -10.629 2.834 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.598 -11.349 3.249 1.00 0.00 H new ATOM 1111 N ILE A 76 -5.387 -6.303 2.503 1.00 0.00 N ATOM 1112 CA ILE A 76 -4.942 -4.934 2.732 1.00 0.00 C ATOM 1113 C ILE A 76 -5.471 -4.398 4.058 1.00 0.00 C ATOM 1114 O ILE A 76 -6.677 -4.400 4.303 1.00 0.00 O ATOM 1115 CB ILE A 76 -5.395 -3.998 1.596 1.00 0.00 C ATOM 1116 CG1 ILE A 76 -4.936 -2.565 1.873 1.00 0.00 C ATOM 1117 CG2 ILE A 76 -6.906 -4.054 1.434 1.00 0.00 C ATOM 1118 CD1 ILE A 76 -4.731 -1.743 0.620 1.00 0.00 C ATOM 0 H ILE A 76 -6.315 -6.381 2.087 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.853 -4.957 2.761 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.937 -4.333 0.665 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.674 -2.071 2.505 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.003 -2.593 2.436 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.210 -3.387 0.627 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -7.209 -5.074 1.196 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.383 -3.741 2.363 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -4.406 -0.739 0.893 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.971 -2.214 -0.004 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.668 -1.683 0.067 1.00 0.00 H new ATOM 1130 N MET A 77 -4.560 -3.939 4.910 1.00 0.00 N ATOM 1131 CA MET A 77 -4.935 -3.397 6.210 1.00 0.00 C ATOM 1132 C MET A 77 -4.421 -1.970 6.374 1.00 0.00 C ATOM 1133 O MET A 77 -3.272 -1.673 6.045 1.00 0.00 O ATOM 1134 CB MET A 77 -4.387 -4.280 7.333 1.00 0.00 C ATOM 1135 CG MET A 77 -4.758 -3.795 8.725 1.00 0.00 C ATOM 1136 SD MET A 77 -3.403 -3.962 9.902 1.00 0.00 S ATOM 1137 CE MET A 77 -2.445 -2.495 9.528 1.00 0.00 C ATOM 0 H MET A 77 -3.557 -3.932 4.723 1.00 0.00 H new ATOM 0 HA MET A 77 -6.023 -3.381 6.268 1.00 0.00 H new ATOM 0 HB2 MET A 77 -4.760 -5.296 7.200 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.301 -4.326 7.251 1.00 0.00 H new ATOM 0 HG2 MET A 77 -5.062 -2.749 8.672 1.00 0.00 H new ATOM 0 HG3 MET A 77 -5.618 -4.359 9.085 1.00 0.00 H new ATOM 0 HE1 MET A 77 -1.406 -2.656 9.815 1.00 0.00 H new ATOM 0 HE2 MET A 77 -2.499 -2.288 8.459 1.00 0.00 H new ATOM 0 HE3 MET A 77 -2.847 -1.647 10.082 1.00 0.00 H new ATOM 1147 N ASP A 78 -5.278 -1.092 6.883 1.00 0.00 N ATOM 1148 CA ASP A 78 -4.909 0.304 7.090 1.00 0.00 C ATOM 1149 C ASP A 78 -4.280 0.501 8.466 1.00 0.00 C ATOM 1150 O ASP A 78 -4.755 -0.045 9.460 1.00 0.00 O ATOM 1151 CB ASP A 78 -6.136 1.205 6.943 1.00 0.00 C ATOM 1152 CG ASP A 78 -5.828 2.657 7.251 1.00 0.00 C ATOM 1153 OD1 ASP A 78 -4.679 3.083 7.013 1.00 0.00 O ATOM 1154 OD2 ASP A 78 -6.737 3.367 7.732 1.00 0.00 O ATOM 0 H ASP A 78 -6.232 -1.322 7.160 1.00 0.00 H new ATOM 0 HA ASP A 78 -4.175 0.577 6.332 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.521 1.126 5.926 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -6.923 0.854 7.610 1.00 0.00 H new ATOM 1159 N ASN A 79 -3.208 1.286 8.514 1.00 0.00 N ATOM 1160 CA ASN A 79 -2.513 1.554 9.768 1.00 0.00 C ATOM 1161 C ASN A 79 -3.061 2.810 10.436 1.00 0.00 C ATOM 1162 O ASN A 79 -2.322 3.757 10.707 1.00 0.00 O ATOM 1163 CB ASN A 79 -1.011 1.709 9.519 1.00 0.00 C ATOM 1164 CG ASN A 79 -0.180 1.277 10.711 1.00 0.00 C ATOM 1165 OD1 ASN A 79 -0.432 1.694 11.842 1.00 0.00 O ATOM 1166 ND2 ASN A 79 0.818 0.436 10.464 1.00 0.00 N ATOM 0 H ASN A 79 -2.802 1.747 7.700 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.679 0.708 10.435 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.727 1.118 8.648 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -0.790 2.750 9.284 1.00 0.00 H new ATOM 0 HD21 ASN A 79 1.411 0.110 11.227 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.991 0.116 9.511 1.00 0.00 H new ATOM 1173 N LYS A 80 -4.364 2.813 10.700 1.00 0.00 N ATOM 1174 CA LYS A 80 -5.013 3.952 11.339 1.00 0.00 C ATOM 1175 C LYS A 80 -4.690 5.247 10.601 1.00 0.00 C ATOM 1176 O LYS A 80 -4.062 6.148 11.156 1.00 0.00 O ATOM 1177 CB LYS A 80 -4.574 4.062 12.800 1.00 0.00 C ATOM 1178 CG LYS A 80 -5.259 3.064 13.718 1.00 0.00 C ATOM 1179 CD LYS A 80 -5.404 3.612 15.128 1.00 0.00 C ATOM 1180 CE LYS A 80 -4.116 3.458 15.921 1.00 0.00 C ATOM 1181 NZ LYS A 80 -4.375 3.343 17.383 1.00 0.00 N ATOM 0 H LYS A 80 -4.991 2.039 10.481 1.00 0.00 H new ATOM 0 HA LYS A 80 -6.091 3.792 11.301 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.495 3.916 12.858 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.779 5.071 13.157 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.243 2.818 13.319 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.684 2.138 13.744 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.681 4.665 15.083 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -6.213 3.091 15.641 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.581 2.573 15.576 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.469 4.315 15.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.472 3.240 17.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.863 4.198 17.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.971 2.511 17.566 1.00 0.00 H new ATOM 1195 N SER A 81 -5.124 5.333 9.347 1.00 0.00 N ATOM 1196 CA SER A 81 -4.879 6.517 8.533 1.00 0.00 C ATOM 1197 C SER A 81 -5.950 7.576 8.777 1.00 0.00 C ATOM 1198 O SER A 81 -6.989 7.298 9.377 1.00 0.00 O ATOM 1199 CB SER A 81 -4.843 6.144 7.050 1.00 0.00 C ATOM 1200 OG SER A 81 -6.104 5.669 6.613 1.00 0.00 O ATOM 0 H SER A 81 -5.647 4.596 8.873 1.00 0.00 H new ATOM 0 HA SER A 81 -3.912 6.931 8.820 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.554 7.014 6.460 1.00 0.00 H new ATOM 0 HB3 SER A 81 -4.085 5.379 6.882 1.00 0.00 H new ATOM 0 HG SER A 81 -6.483 5.074 7.293 1.00 0.00 H new ATOM 1206 N LEU A 82 -5.689 8.791 8.307 1.00 0.00 N ATOM 1207 CA LEU A 82 -6.630 9.893 8.473 1.00 0.00 C ATOM 1208 C LEU A 82 -7.573 9.989 7.277 1.00 0.00 C ATOM 1209 O LEU A 82 -8.783 9.814 7.413 1.00 0.00 O ATOM 1210 CB LEU A 82 -5.876 11.212 8.649 1.00 0.00 C ATOM 1211 CG LEU A 82 -6.738 12.471 8.743 1.00 0.00 C ATOM 1212 CD1 LEU A 82 -7.104 12.760 10.191 1.00 0.00 C ATOM 1213 CD2 LEU A 82 -6.015 13.660 8.127 1.00 0.00 C ATOM 0 H LEU A 82 -4.834 9.038 7.808 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.224 9.699 9.366 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.270 11.143 9.552 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.188 11.329 7.811 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.658 12.301 8.184 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.718 13.660 10.239 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -7.662 11.918 10.600 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.195 12.910 10.773 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.644 14.547 8.203 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.079 13.832 8.658 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.804 13.454 7.078 1.00 0.00 H new ATOM 1225 N ASN A 83 -7.009 10.266 6.106 1.00 0.00 N ATOM 1226 CA ASN A 83 -7.799 10.383 4.886 1.00 0.00 C ATOM 1227 C ASN A 83 -8.666 9.145 4.678 1.00 0.00 C ATOM 1228 O ASN A 83 -9.835 9.248 4.310 1.00 0.00 O ATOM 1229 CB ASN A 83 -6.882 10.586 3.678 1.00 0.00 C ATOM 1230 CG ASN A 83 -5.791 11.605 3.944 1.00 0.00 C ATOM 1231 OD1 ASN A 83 -4.664 11.249 4.287 1.00 0.00 O ATOM 1232 ND2 ASN A 83 -6.123 12.882 3.788 1.00 0.00 N ATOM 0 H ASN A 83 -6.008 10.414 5.976 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.453 11.249 4.988 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -6.427 9.633 3.407 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.477 10.910 2.824 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -5.431 13.613 3.954 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.070 13.132 3.502 1.00 0.00 H new ATOM 1239 N GLY A 84 -8.083 7.974 4.917 1.00 0.00 N ATOM 1240 CA GLY A 84 -8.817 6.733 4.752 1.00 0.00 C ATOM 1241 C GLY A 84 -8.324 5.921 3.571 1.00 0.00 C ATOM 1242 O GLY A 84 -7.810 6.474 2.599 1.00 0.00 O ATOM 0 H GLY A 84 -7.116 7.863 5.222 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.728 6.138 5.661 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.876 6.955 4.619 1.00 0.00 H new ATOM 1246 N VAL A 85 -8.477 4.603 3.655 1.00 0.00 N ATOM 1247 CA VAL A 85 -8.043 3.713 2.586 1.00 0.00 C ATOM 1248 C VAL A 85 -9.231 3.207 1.775 1.00 0.00 C ATOM 1249 O VAL A 85 -10.202 2.696 2.332 1.00 0.00 O ATOM 1250 CB VAL A 85 -7.263 2.506 3.141 1.00 0.00 C ATOM 1251 CG1 VAL A 85 -6.668 1.686 2.007 1.00 0.00 C ATOM 1252 CG2 VAL A 85 -6.178 2.970 4.101 1.00 0.00 C ATOM 0 H VAL A 85 -8.899 4.128 4.453 1.00 0.00 H new ATOM 0 HA VAL A 85 -7.386 4.294 1.939 1.00 0.00 H new ATOM 0 HB VAL A 85 -7.956 1.870 3.691 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -6.121 0.838 2.419 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.468 1.323 1.362 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.988 2.309 1.426 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.637 2.105 4.484 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.486 3.628 3.577 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.633 3.510 4.931 1.00 0.00 H new ATOM 1262 N TRP A 86 -9.146 3.351 0.458 1.00 0.00 N ATOM 1263 CA TRP A 86 -10.214 2.908 -0.430 1.00 0.00 C ATOM 1264 C TRP A 86 -9.794 1.668 -1.211 1.00 0.00 C ATOM 1265 O TRP A 86 -8.632 1.528 -1.595 1.00 0.00 O ATOM 1266 CB TRP A 86 -10.600 4.029 -1.397 1.00 0.00 C ATOM 1267 CG TRP A 86 -10.989 5.301 -0.707 1.00 0.00 C ATOM 1268 CD1 TRP A 86 -10.150 6.285 -0.268 1.00 0.00 C ATOM 1269 CD2 TRP A 86 -12.316 5.725 -0.376 1.00 0.00 C ATOM 1270 NE1 TRP A 86 -10.875 7.295 0.316 1.00 0.00 N ATOM 1271 CE2 TRP A 86 -12.206 6.976 0.261 1.00 0.00 C ATOM 1272 CE3 TRP A 86 -13.585 5.171 -0.559 1.00 0.00 C ATOM 1273 CZ2 TRP A 86 -13.318 7.679 0.717 1.00 0.00 C ATOM 1274 CZ3 TRP A 86 -14.688 5.870 -0.105 1.00 0.00 C ATOM 1275 CH2 TRP A 86 -14.549 7.113 0.526 1.00 0.00 C ATOM 0 H TRP A 86 -8.348 3.771 -0.019 1.00 0.00 H new ATOM 0 HA TRP A 86 -11.079 2.653 0.182 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -9.762 4.228 -2.065 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -11.430 3.693 -2.019 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -9.075 6.271 -0.366 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -10.485 8.145 0.724 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -13.702 4.214 -1.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -13.213 8.637 1.204 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -15.674 5.450 -0.239 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -15.431 7.635 0.868 1.00 0.00 H new ATOM 1286 N LEU A 87 -10.745 0.770 -1.443 1.00 0.00 N ATOM 1287 CA LEU A 87 -10.473 -0.460 -2.180 1.00 0.00 C ATOM 1288 C LEU A 87 -11.683 -0.877 -3.009 1.00 0.00 C ATOM 1289 O LEU A 87 -12.681 -1.354 -2.472 1.00 0.00 O ATOM 1290 CB LEU A 87 -10.091 -1.582 -1.213 1.00 0.00 C ATOM 1291 CG LEU A 87 -9.953 -2.977 -1.825 1.00 0.00 C ATOM 1292 CD1 LEU A 87 -8.677 -3.076 -2.646 1.00 0.00 C ATOM 1293 CD2 LEU A 87 -9.974 -4.041 -0.737 1.00 0.00 C ATOM 0 H LEU A 87 -11.711 0.870 -1.132 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.640 -0.273 -2.857 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.145 -1.320 -0.739 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -10.842 -1.626 -0.424 1.00 0.00 H new ATOM 0 HG LEU A 87 -10.801 -3.147 -2.488 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.596 -4.075 -3.073 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -8.703 -2.339 -3.449 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.816 -2.885 -2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.875 -5.027 -1.191 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.146 -3.873 -0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.916 -3.985 -0.192 1.00 0.00 H new ATOM 1305 N ASN A 88 -11.584 -0.695 -4.322 1.00 0.00 N ATOM 1306 CA ASN A 88 -12.670 -1.055 -5.227 1.00 0.00 C ATOM 1307 C ASN A 88 -13.948 -0.302 -4.869 1.00 0.00 C ATOM 1308 O ASN A 88 -15.016 -0.900 -4.732 1.00 0.00 O ATOM 1309 CB ASN A 88 -12.923 -2.563 -5.180 1.00 0.00 C ATOM 1310 CG ASN A 88 -11.953 -3.339 -6.050 1.00 0.00 C ATOM 1311 OD1 ASN A 88 -11.237 -2.762 -6.868 1.00 0.00 O ATOM 1312 ND2 ASN A 88 -11.925 -4.655 -5.875 1.00 0.00 N ATOM 0 H ASN A 88 -10.764 -0.301 -4.783 1.00 0.00 H new ATOM 0 HA ASN A 88 -12.375 -0.775 -6.238 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -12.841 -2.911 -4.150 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -13.943 -2.768 -5.506 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -11.292 -5.230 -6.431 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -12.537 -5.091 -5.185 1.00 0.00 H new ATOM 1319 N ARG A 89 -13.832 1.013 -4.718 1.00 0.00 N ATOM 1320 CA ARG A 89 -14.977 1.848 -4.375 1.00 0.00 C ATOM 1321 C ARG A 89 -15.572 1.429 -3.034 1.00 0.00 C ATOM 1322 O ARG A 89 -16.787 1.286 -2.901 1.00 0.00 O ATOM 1323 CB ARG A 89 -16.044 1.761 -5.468 1.00 0.00 C ATOM 1324 CG ARG A 89 -15.535 2.147 -6.848 1.00 0.00 C ATOM 1325 CD ARG A 89 -15.722 3.632 -7.116 1.00 0.00 C ATOM 1326 NE ARG A 89 -16.778 3.883 -8.093 1.00 0.00 N ATOM 1327 CZ ARG A 89 -16.677 3.572 -9.380 1.00 0.00 C ATOM 1328 NH1 ARG A 89 -15.573 3.000 -9.843 1.00 0.00 N ATOM 1329 NH2 ARG A 89 -17.681 3.832 -10.208 1.00 0.00 N ATOM 0 H ARG A 89 -12.956 1.524 -4.828 1.00 0.00 H new ATOM 0 HA ARG A 89 -14.633 2.879 -4.294 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -16.432 0.743 -5.505 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -16.878 2.411 -5.203 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -14.479 1.891 -6.932 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -16.064 1.570 -7.607 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -15.963 4.141 -6.183 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -14.785 4.056 -7.478 1.00 0.00 H new ATOM 0 HE ARG A 89 -17.640 4.321 -7.769 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -14.799 2.798 -9.210 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -15.498 2.762 -10.832 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -18.532 4.271 -9.856 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -17.602 3.593 -11.196 1.00 0.00 H new ATOM 1343 N ALA A 90 -14.708 1.234 -2.044 1.00 0.00 N ATOM 1344 CA ALA A 90 -15.148 0.833 -0.714 1.00 0.00 C ATOM 1345 C ALA A 90 -14.234 1.409 0.363 1.00 0.00 C ATOM 1346 O ALA A 90 -13.013 1.427 0.210 1.00 0.00 O ATOM 1347 CB ALA A 90 -15.200 -0.684 -0.609 1.00 0.00 C ATOM 0 H ALA A 90 -13.699 1.347 -2.138 1.00 0.00 H new ATOM 0 HA ALA A 90 -16.150 1.231 -0.555 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -15.530 -0.968 0.390 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -15.899 -1.076 -1.348 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -14.208 -1.096 -0.794 1.00 0.00 H new ATOM 1353 N ARG A 91 -14.834 1.879 1.452 1.00 0.00 N ATOM 1354 CA ARG A 91 -14.074 2.457 2.554 1.00 0.00 C ATOM 1355 C ARG A 91 -13.549 1.366 3.483 1.00 0.00 C ATOM 1356 O ARG A 91 -14.315 0.549 3.995 1.00 0.00 O ATOM 1357 CB ARG A 91 -14.944 3.438 3.342 1.00 0.00 C ATOM 1358 CG ARG A 91 -14.153 4.334 4.281 1.00 0.00 C ATOM 1359 CD ARG A 91 -13.745 5.632 3.601 1.00 0.00 C ATOM 1360 NE ARG A 91 -14.754 6.675 3.763 1.00 0.00 N ATOM 1361 CZ ARG A 91 -14.908 7.382 4.877 1.00 0.00 C ATOM 1362 NH1 ARG A 91 -14.122 7.158 5.922 1.00 0.00 N ATOM 1363 NH2 ARG A 91 -15.849 8.315 4.948 1.00 0.00 N ATOM 0 H ARG A 91 -15.844 1.871 1.595 1.00 0.00 H new ATOM 0 HA ARG A 91 -13.223 2.993 2.134 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -15.500 4.061 2.642 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -15.677 2.876 3.921 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -14.752 4.557 5.164 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -13.263 3.807 4.625 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -12.798 5.976 4.016 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -13.580 5.449 2.539 1.00 0.00 H new ATOM 0 HE ARG A 91 -15.375 6.871 2.978 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -13.398 6.442 5.871 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -14.242 7.702 6.776 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -16.455 8.490 4.147 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -15.966 8.857 5.804 1.00 0.00 H new ATOM 1377 N LEU A 92 -12.238 1.360 3.697 1.00 0.00 N ATOM 1378 CA LEU A 92 -11.609 0.369 4.565 1.00 0.00 C ATOM 1379 C LEU A 92 -11.376 0.938 5.961 1.00 0.00 C ATOM 1380 O LEU A 92 -10.746 1.983 6.117 1.00 0.00 O ATOM 1381 CB LEU A 92 -10.282 -0.096 3.963 1.00 0.00 C ATOM 1382 CG LEU A 92 -10.304 -0.439 2.473 1.00 0.00 C ATOM 1383 CD1 LEU A 92 -8.896 -0.704 1.965 1.00 0.00 C ATOM 1384 CD2 LEU A 92 -11.201 -1.642 2.216 1.00 0.00 C ATOM 0 H LEU A 92 -11.590 2.029 3.282 1.00 0.00 H new ATOM 0 HA LEU A 92 -12.282 -0.485 4.648 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.539 0.685 4.124 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -9.945 -0.975 4.513 1.00 0.00 H new ATOM 0 HG LEU A 92 -10.709 0.414 1.929 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -8.932 -0.946 0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -8.282 0.184 2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -8.463 -1.540 2.514 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -11.205 -1.872 1.151 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -10.825 -2.501 2.771 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -12.216 -1.415 2.542 1.00 0.00 H new ATOM 1396 N GLU A 93 -11.886 0.241 6.971 1.00 0.00 N ATOM 1397 CA GLU A 93 -11.732 0.677 8.354 1.00 0.00 C ATOM 1398 C GLU A 93 -10.288 0.510 8.819 1.00 0.00 C ATOM 1399 O GLU A 93 -9.505 -0.241 8.237 1.00 0.00 O ATOM 1400 CB GLU A 93 -12.669 -0.114 9.269 1.00 0.00 C ATOM 1401 CG GLU A 93 -13.970 0.607 9.578 1.00 0.00 C ATOM 1402 CD GLU A 93 -15.038 0.359 8.531 1.00 0.00 C ATOM 1403 OE1 GLU A 93 -14.741 0.529 7.330 1.00 0.00 O ATOM 1404 OE2 GLU A 93 -16.170 -0.005 8.912 1.00 0.00 O ATOM 0 H GLU A 93 -12.409 -0.627 6.858 1.00 0.00 H new ATOM 0 HA GLU A 93 -11.993 1.734 8.406 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -12.897 -1.072 8.801 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -12.153 -0.331 10.204 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -14.338 0.282 10.551 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -13.779 1.678 9.650 1.00 0.00 H new ATOM 1411 N PRO A 94 -9.926 1.228 9.893 1.00 0.00 N ATOM 1412 CA PRO A 94 -8.576 1.177 10.460 1.00 0.00 C ATOM 1413 C PRO A 94 -8.279 -0.160 11.132 1.00 0.00 C ATOM 1414 O PRO A 94 -9.127 -0.717 11.830 1.00 0.00 O ATOM 1415 CB PRO A 94 -8.583 2.305 11.495 1.00 0.00 C ATOM 1416 CG PRO A 94 -10.015 2.463 11.873 1.00 0.00 C ATOM 1417 CD PRO A 94 -10.808 2.144 10.636 1.00 0.00 C ATOM 0 HA PRO A 94 -7.808 1.287 9.694 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -7.971 2.052 12.361 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -8.180 3.228 11.078 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -10.279 1.791 12.690 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -10.218 3.477 12.216 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -11.761 1.675 10.880 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.032 3.042 10.060 1.00 0.00 H new ATOM 1425 N LEU A 95 -7.071 -0.670 10.916 1.00 0.00 N ATOM 1426 CA LEU A 95 -6.662 -1.942 11.501 1.00 0.00 C ATOM 1427 C LEU A 95 -7.652 -3.048 11.147 1.00 0.00 C ATOM 1428 O LEU A 95 -7.971 -3.898 11.978 1.00 0.00 O ATOM 1429 CB LEU A 95 -6.547 -1.813 13.021 1.00 0.00 C ATOM 1430 CG LEU A 95 -5.859 -0.549 13.537 1.00 0.00 C ATOM 1431 CD1 LEU A 95 -5.709 -0.603 15.050 1.00 0.00 C ATOM 1432 CD2 LEU A 95 -4.503 -0.370 12.871 1.00 0.00 C ATOM 0 H LEU A 95 -6.358 -0.222 10.340 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.688 -2.206 11.090 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.550 -1.856 13.446 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.003 -2.679 13.399 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.481 0.309 13.284 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.217 0.305 15.400 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.694 -0.683 15.511 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.108 -1.470 15.325 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.028 0.535 13.250 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.872 -1.231 13.092 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.636 -0.285 11.792 1.00 0.00 H new ATOM 1444 N ARG A 96 -8.132 -3.030 9.908 1.00 0.00 N ATOM 1445 CA ARG A 96 -9.084 -4.031 9.443 1.00 0.00 C ATOM 1446 C ARG A 96 -8.498 -4.847 8.294 1.00 0.00 C ATOM 1447 O ARG A 96 -7.535 -4.430 7.651 1.00 0.00 O ATOM 1448 CB ARG A 96 -10.384 -3.361 8.996 1.00 0.00 C ATOM 1449 CG ARG A 96 -11.617 -4.226 9.200 1.00 0.00 C ATOM 1450 CD ARG A 96 -12.752 -3.438 9.835 1.00 0.00 C ATOM 1451 NE ARG A 96 -13.539 -4.256 10.755 1.00 0.00 N ATOM 1452 CZ ARG A 96 -14.741 -3.910 11.200 1.00 0.00 C ATOM 1453 NH1 ARG A 96 -15.293 -2.768 10.813 1.00 0.00 N ATOM 1454 NH2 ARG A 96 -15.395 -4.708 12.035 1.00 0.00 N ATOM 0 H ARG A 96 -7.877 -2.333 9.208 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.298 -4.705 10.272 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.510 -2.428 9.546 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -10.304 -3.100 7.941 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -11.944 -4.628 8.241 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.365 -5.077 9.833 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -12.343 -2.581 10.371 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -13.402 -3.045 9.053 1.00 0.00 H new ATOM 0 HE ARG A 96 -13.143 -5.141 11.073 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -14.794 -2.152 10.171 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -16.217 -2.506 11.157 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -14.974 -5.587 12.335 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -16.318 -4.442 12.377 1.00 0.00 H new ATOM 1468 N VAL A 97 -9.086 -6.012 8.042 1.00 0.00 N ATOM 1469 CA VAL A 97 -8.623 -6.886 6.971 1.00 0.00 C ATOM 1470 C VAL A 97 -9.578 -6.852 5.783 1.00 0.00 C ATOM 1471 O VAL A 97 -10.793 -6.961 5.946 1.00 0.00 O ATOM 1472 CB VAL A 97 -8.477 -8.340 7.456 1.00 0.00 C ATOM 1473 CG1 VAL A 97 -7.835 -9.201 6.379 1.00 0.00 C ATOM 1474 CG2 VAL A 97 -7.669 -8.393 8.744 1.00 0.00 C ATOM 0 H VAL A 97 -9.884 -6.372 8.565 1.00 0.00 H new ATOM 0 HA VAL A 97 -7.646 -6.515 6.660 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.471 -8.738 7.660 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.740 -10.225 6.740 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.457 -9.188 5.484 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.847 -8.808 6.140 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -7.576 -9.428 9.073 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.677 -7.977 8.568 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -8.175 -7.812 9.515 1.00 0.00 H new ATOM 1484 N TYR A 98 -9.020 -6.700 4.587 1.00 0.00 N ATOM 1485 CA TYR A 98 -9.822 -6.650 3.370 1.00 0.00 C ATOM 1486 C TYR A 98 -9.152 -7.430 2.243 1.00 0.00 C ATOM 1487 O TYR A 98 -8.299 -6.902 1.529 1.00 0.00 O ATOM 1488 CB TYR A 98 -10.043 -5.199 2.939 1.00 0.00 C ATOM 1489 CG TYR A 98 -11.029 -4.453 3.810 1.00 0.00 C ATOM 1490 CD1 TYR A 98 -12.398 -4.620 3.643 1.00 0.00 C ATOM 1491 CD2 TYR A 98 -10.591 -3.579 4.798 1.00 0.00 C ATOM 1492 CE1 TYR A 98 -13.303 -3.940 4.435 1.00 0.00 C ATOM 1493 CE2 TYR A 98 -11.489 -2.896 5.596 1.00 0.00 C ATOM 1494 CZ TYR A 98 -12.843 -3.079 5.410 1.00 0.00 C ATOM 1495 OH TYR A 98 -13.740 -2.400 6.202 1.00 0.00 O ATOM 0 H TYR A 98 -8.016 -6.609 4.434 1.00 0.00 H new ATOM 0 HA TYR A 98 -10.787 -7.110 3.582 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -9.088 -4.674 2.955 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -10.398 -5.185 1.908 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -12.761 -5.293 2.881 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -9.531 -3.431 4.944 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -14.364 -4.082 4.292 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -11.132 -2.223 6.361 1.00 0.00 H new ATOM 0 HH TYR A 98 -14.555 -2.935 6.306 1.00 0.00 H new ATOM 1505 N SER A 99 -9.545 -8.691 2.090 1.00 0.00 N ATOM 1506 CA SER A 99 -8.981 -9.546 1.053 1.00 0.00 C ATOM 1507 C SER A 99 -9.088 -8.883 -0.317 1.00 0.00 C ATOM 1508 O SER A 99 -10.105 -8.270 -0.644 1.00 0.00 O ATOM 1509 CB SER A 99 -9.696 -10.899 1.033 1.00 0.00 C ATOM 1510 OG SER A 99 -10.213 -11.221 2.313 1.00 0.00 O ATOM 0 H SER A 99 -10.251 -9.142 2.671 1.00 0.00 H new ATOM 0 HA SER A 99 -7.927 -9.702 1.281 1.00 0.00 H new ATOM 0 HB2 SER A 99 -10.507 -10.875 0.305 1.00 0.00 H new ATOM 0 HB3 SER A 99 -9.002 -11.676 0.711 1.00 0.00 H new ATOM 0 HG SER A 99 -10.667 -12.089 2.274 1.00 0.00 H new ATOM 1516 N ILE A 100 -8.032 -9.009 -1.113 1.00 0.00 N ATOM 1517 CA ILE A 100 -8.007 -8.423 -2.447 1.00 0.00 C ATOM 1518 C ILE A 100 -7.863 -9.499 -3.518 1.00 0.00 C ATOM 1519 O ILE A 100 -7.204 -10.518 -3.305 1.00 0.00 O ATOM 1520 CB ILE A 100 -6.857 -7.410 -2.596 1.00 0.00 C ATOM 1521 CG1 ILE A 100 -5.533 -8.040 -2.157 1.00 0.00 C ATOM 1522 CG2 ILE A 100 -7.148 -6.156 -1.784 1.00 0.00 C ATOM 1523 CD1 ILE A 100 -4.336 -7.140 -2.369 1.00 0.00 C ATOM 0 H ILE A 100 -7.182 -9.512 -0.857 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.957 -7.905 -2.581 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.773 -7.129 -3.646 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.597 -8.303 -1.101 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.381 -8.968 -2.708 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.326 -5.449 -1.899 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -8.072 -5.699 -2.139 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.254 -6.420 -0.732 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.433 -7.651 -2.036 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.246 -6.898 -3.428 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.465 -6.222 -1.796 1.00 0.00 H new ATOM 1535 N HIS A 101 -8.481 -9.266 -4.671 1.00 0.00 N ATOM 1536 CA HIS A 101 -8.420 -10.214 -5.777 1.00 0.00 C ATOM 1537 C HIS A 101 -7.952 -9.527 -7.057 1.00 0.00 C ATOM 1538 O HIS A 101 -7.968 -8.301 -7.154 1.00 0.00 O ATOM 1539 CB HIS A 101 -9.788 -10.858 -6.002 1.00 0.00 C ATOM 1540 CG HIS A 101 -10.356 -11.501 -4.774 1.00 0.00 C ATOM 1541 ND1 HIS A 101 -9.679 -12.453 -4.042 1.00 0.00 N ATOM 1542 CD2 HIS A 101 -11.544 -11.323 -4.150 1.00 0.00 C ATOM 1543 CE1 HIS A 101 -10.427 -12.834 -3.022 1.00 0.00 C ATOM 1544 NE2 HIS A 101 -11.563 -12.163 -3.064 1.00 0.00 N ATOM 0 H HIS A 101 -9.030 -8.428 -4.864 1.00 0.00 H new ATOM 0 HA HIS A 101 -7.700 -10.990 -5.517 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -10.484 -10.099 -6.360 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -9.703 -11.608 -6.789 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -12.330 -10.646 -4.450 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -10.155 -13.570 -2.280 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -12.330 -12.254 -2.398 1.00 0.00 H new ATOM 1552 N GLN A 102 -7.535 -10.327 -8.034 1.00 0.00 N ATOM 1553 CA GLN A 102 -7.061 -9.794 -9.306 1.00 0.00 C ATOM 1554 C GLN A 102 -8.076 -8.826 -9.903 1.00 0.00 C ATOM 1555 O GLN A 102 -9.215 -9.199 -10.183 1.00 0.00 O ATOM 1556 CB GLN A 102 -6.786 -10.934 -10.288 1.00 0.00 C ATOM 1557 CG GLN A 102 -6.216 -10.466 -11.618 1.00 0.00 C ATOM 1558 CD GLN A 102 -4.704 -10.556 -11.669 1.00 0.00 C ATOM 1559 OE1 GLN A 102 -4.057 -10.891 -10.677 1.00 0.00 O ATOM 1560 NE2 GLN A 102 -4.132 -10.255 -12.829 1.00 0.00 N ATOM 0 H GLN A 102 -7.516 -11.345 -7.969 1.00 0.00 H new ATOM 0 HA GLN A 102 -6.134 -9.250 -9.122 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -6.090 -11.637 -9.831 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -7.713 -11.477 -10.470 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -6.639 -11.068 -12.422 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -6.521 -9.435 -11.797 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -4.707 -9.982 -13.626 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -3.117 -10.297 -12.923 1.00 0.00 H new ATOM 1569 N GLY A 103 -7.656 -7.579 -10.095 1.00 0.00 N ATOM 1570 CA GLY A 103 -8.542 -6.576 -10.658 1.00 0.00 C ATOM 1571 C GLY A 103 -9.024 -5.582 -9.621 1.00 0.00 C ATOM 1572 O GLY A 103 -10.033 -4.905 -9.822 1.00 0.00 O ATOM 0 H GLY A 103 -6.719 -7.245 -9.871 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -8.023 -6.043 -11.454 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -9.402 -7.069 -11.112 1.00 0.00 H new ATOM 1576 N ASP A 104 -8.304 -5.494 -8.508 1.00 0.00 N ATOM 1577 CA ASP A 104 -8.665 -4.575 -7.435 1.00 0.00 C ATOM 1578 C ASP A 104 -8.113 -3.179 -7.705 1.00 0.00 C ATOM 1579 O ASP A 104 -7.320 -2.982 -8.627 1.00 0.00 O ATOM 1580 CB ASP A 104 -8.142 -5.093 -6.094 1.00 0.00 C ATOM 1581 CG ASP A 104 -9.178 -5.904 -5.342 1.00 0.00 C ATOM 1582 OD1 ASP A 104 -9.954 -6.630 -5.998 1.00 0.00 O ATOM 1583 OD2 ASP A 104 -9.215 -5.812 -4.097 1.00 0.00 O ATOM 0 H ASP A 104 -7.467 -6.048 -8.325 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.752 -4.514 -7.394 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -7.258 -5.708 -6.265 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -7.829 -4.249 -5.479 1.00 0.00 H new ATOM 1588 N TYR A 105 -8.537 -2.214 -6.898 1.00 0.00 N ATOM 1589 CA TYR A 105 -8.088 -0.835 -7.053 1.00 0.00 C ATOM 1590 C TYR A 105 -7.881 -0.174 -5.694 1.00 0.00 C ATOM 1591 O TYR A 105 -8.840 0.097 -4.971 1.00 0.00 O ATOM 1592 CB TYR A 105 -9.102 -0.035 -7.872 1.00 0.00 C ATOM 1593 CG TYR A 105 -8.725 0.109 -9.329 1.00 0.00 C ATOM 1594 CD1 TYR A 105 -8.740 -0.987 -10.183 1.00 0.00 C ATOM 1595 CD2 TYR A 105 -8.353 1.342 -9.852 1.00 0.00 C ATOM 1596 CE1 TYR A 105 -8.395 -0.860 -11.515 1.00 0.00 C ATOM 1597 CE2 TYR A 105 -8.008 1.478 -11.183 1.00 0.00 C ATOM 1598 CZ TYR A 105 -8.030 0.375 -12.010 1.00 0.00 C ATOM 1599 OH TYR A 105 -7.687 0.506 -13.336 1.00 0.00 O ATOM 0 H TYR A 105 -9.191 -2.361 -6.129 1.00 0.00 H new ATOM 0 HA TYR A 105 -7.134 -0.848 -7.580 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -10.076 -0.520 -7.804 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -9.209 0.957 -7.433 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -9.026 -1.955 -9.799 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -8.333 2.208 -9.207 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -8.411 -1.722 -12.165 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -7.723 2.444 -11.574 1.00 0.00 H new ATOM 0 HH TYR A 105 -7.918 1.407 -13.646 1.00 0.00 H new ATOM 1609 N ILE A 106 -6.623 0.083 -5.354 1.00 0.00 N ATOM 1610 CA ILE A 106 -6.288 0.714 -4.083 1.00 0.00 C ATOM 1611 C ILE A 106 -6.026 2.206 -4.263 1.00 0.00 C ATOM 1612 O ILE A 106 -5.163 2.604 -5.044 1.00 0.00 O ATOM 1613 CB ILE A 106 -5.052 0.061 -3.439 1.00 0.00 C ATOM 1614 CG1 ILE A 106 -5.294 -1.433 -3.218 1.00 0.00 C ATOM 1615 CG2 ILE A 106 -4.715 0.749 -2.124 1.00 0.00 C ATOM 1616 CD1 ILE A 106 -4.811 -2.299 -4.360 1.00 0.00 C ATOM 0 H ILE A 106 -5.818 -0.136 -5.941 1.00 0.00 H new ATOM 0 HA ILE A 106 -7.146 0.575 -3.425 1.00 0.00 H new ATOM 0 HB ILE A 106 -4.205 0.176 -4.115 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -4.792 -1.742 -2.301 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.361 -1.602 -3.071 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -3.839 0.276 -1.680 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.505 1.803 -2.308 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -5.560 0.661 -1.441 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -5.015 -3.346 -4.134 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.331 -2.017 -5.276 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.738 -2.159 -4.494 1.00 0.00 H new ATOM 1628 N GLN A 107 -6.776 3.025 -3.532 1.00 0.00 N ATOM 1629 CA GLN A 107 -6.624 4.473 -3.610 1.00 0.00 C ATOM 1630 C GLN A 107 -6.193 5.048 -2.264 1.00 0.00 C ATOM 1631 O GLN A 107 -6.915 4.941 -1.272 1.00 0.00 O ATOM 1632 CB GLN A 107 -7.934 5.121 -4.059 1.00 0.00 C ATOM 1633 CG GLN A 107 -7.739 6.417 -4.829 1.00 0.00 C ATOM 1634 CD GLN A 107 -9.023 6.924 -5.455 1.00 0.00 C ATOM 1635 OE1 GLN A 107 -9.217 6.826 -6.667 1.00 0.00 O ATOM 1636 NE2 GLN A 107 -9.909 7.469 -4.630 1.00 0.00 N ATOM 0 H GLN A 107 -7.494 2.711 -2.880 1.00 0.00 H new ATOM 0 HA GLN A 107 -5.848 4.693 -4.344 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -8.483 4.416 -4.683 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.551 5.318 -3.183 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -7.342 7.178 -4.157 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -6.995 6.262 -5.610 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -9.707 7.530 -3.632 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -10.792 7.827 -4.994 1.00 0.00 H new ATOM 1645 N LEU A 108 -5.013 5.657 -2.237 1.00 0.00 N ATOM 1646 CA LEU A 108 -4.485 6.249 -1.013 1.00 0.00 C ATOM 1647 C LEU A 108 -4.986 7.680 -0.840 1.00 0.00 C ATOM 1648 O LEU A 108 -4.486 8.605 -1.478 1.00 0.00 O ATOM 1649 CB LEU A 108 -2.956 6.231 -1.032 1.00 0.00 C ATOM 1650 CG LEU A 108 -2.301 4.849 -1.048 1.00 0.00 C ATOM 1651 CD1 LEU A 108 -0.789 4.974 -0.944 1.00 0.00 C ATOM 1652 CD2 LEU A 108 -2.847 3.987 0.081 1.00 0.00 C ATOM 0 H LEU A 108 -4.403 5.754 -3.049 1.00 0.00 H new ATOM 0 HA LEU A 108 -4.838 5.655 -0.170 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.617 6.782 -1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.595 6.772 -0.157 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.540 4.365 -1.995 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.340 3.981 -0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.413 5.553 -1.787 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -0.529 5.478 -0.013 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.370 3.007 0.054 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.639 4.466 1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.924 3.869 -0.039 1.00 0.00 H new ATOM 1664 N GLY A 109 -5.977 7.853 0.029 1.00 0.00 N ATOM 1665 CA GLY A 109 -6.528 9.174 0.272 1.00 0.00 C ATOM 1666 C GLY A 109 -7.753 9.456 -0.574 1.00 0.00 C ATOM 1667 O GLY A 109 -8.422 8.533 -1.038 1.00 0.00 O ATOM 0 H GLY A 109 -6.408 7.103 0.569 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -6.789 9.267 1.326 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.766 9.926 0.065 1.00 0.00 H new ATOM 1671 N VAL A 110 -8.049 10.736 -0.775 1.00 0.00 N ATOM 1672 CA VAL A 110 -9.203 11.138 -1.572 1.00 0.00 C ATOM 1673 C VAL A 110 -8.829 12.226 -2.571 1.00 0.00 C ATOM 1674 O VAL A 110 -7.861 12.964 -2.390 1.00 0.00 O ATOM 1675 CB VAL A 110 -10.350 11.648 -0.679 1.00 0.00 C ATOM 1676 CG1 VAL A 110 -11.086 10.482 -0.037 1.00 0.00 C ATOM 1677 CG2 VAL A 110 -9.818 12.602 0.379 1.00 0.00 C ATOM 0 H VAL A 110 -7.506 11.513 -0.397 1.00 0.00 H new ATOM 0 HA VAL A 110 -9.539 10.253 -2.113 1.00 0.00 H new ATOM 0 HB VAL A 110 -11.058 12.193 -1.303 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -11.893 10.862 0.590 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -11.502 9.842 -0.815 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -10.392 9.906 0.575 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -10.642 12.952 1.001 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -9.088 12.084 1.002 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -9.342 13.454 -0.106 1.00 0.00 H new ATOM 1687 N PRO A 111 -9.614 12.330 -3.654 1.00 0.00 N ATOM 1688 CA PRO A 111 -9.385 13.327 -4.704 1.00 0.00 C ATOM 1689 C PRO A 111 -9.682 14.746 -4.232 1.00 0.00 C ATOM 1690 O PRO A 111 -10.620 14.973 -3.466 1.00 0.00 O ATOM 1691 CB PRO A 111 -10.366 12.913 -5.805 1.00 0.00 C ATOM 1692 CG PRO A 111 -11.449 12.180 -5.091 1.00 0.00 C ATOM 1693 CD PRO A 111 -10.785 11.483 -3.936 1.00 0.00 C ATOM 0 HA PRO A 111 -8.344 13.348 -5.026 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -10.758 13.782 -6.333 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -9.882 12.279 -6.548 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -12.220 12.866 -4.741 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -11.936 11.463 -5.752 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -11.448 11.414 -3.074 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -10.492 10.466 -4.195 1.00 0.00 H new ATOM 1701 N LEU A 112 -8.879 15.698 -4.692 1.00 0.00 N ATOM 1702 CA LEU A 112 -9.056 17.096 -4.317 1.00 0.00 C ATOM 1703 C LEU A 112 -10.309 17.679 -4.963 1.00 0.00 C ATOM 1704 O LEU A 112 -10.895 17.074 -5.860 1.00 0.00 O ATOM 1705 CB LEU A 112 -7.830 17.914 -4.726 1.00 0.00 C ATOM 1706 CG LEU A 112 -6.580 17.725 -3.866 1.00 0.00 C ATOM 1707 CD1 LEU A 112 -6.899 17.967 -2.399 1.00 0.00 C ATOM 1708 CD2 LEU A 112 -6.001 16.332 -4.065 1.00 0.00 C ATOM 0 H LEU A 112 -8.098 15.527 -5.326 1.00 0.00 H new ATOM 0 HA LEU A 112 -9.172 17.144 -3.234 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.579 17.664 -5.757 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -8.101 18.970 -4.711 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.834 18.455 -4.179 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -5.997 17.828 -1.803 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.266 18.985 -2.270 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -7.663 17.262 -2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.112 16.216 -3.445 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.742 15.586 -3.780 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.733 16.196 -5.113 1.00 0.00 H new ATOM 1720 N GLU A 113 -10.712 18.859 -4.502 1.00 0.00 N ATOM 1721 CA GLU A 113 -11.895 19.524 -5.037 1.00 0.00 C ATOM 1722 C GLU A 113 -11.676 19.937 -6.490 1.00 0.00 C ATOM 1723 O GLU A 113 -12.630 20.128 -7.242 1.00 0.00 O ATOM 1724 CB GLU A 113 -12.243 20.752 -4.193 1.00 0.00 C ATOM 1725 CG GLU A 113 -11.116 21.767 -4.102 1.00 0.00 C ATOM 1726 CD GLU A 113 -10.349 21.673 -2.798 1.00 0.00 C ATOM 1727 OE1 GLU A 113 -10.818 22.246 -1.792 1.00 0.00 O ATOM 1728 OE2 GLU A 113 -9.281 21.027 -2.783 1.00 0.00 O ATOM 0 H GLU A 113 -10.237 19.374 -3.760 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.725 18.819 -4.999 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -13.123 21.236 -4.616 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -12.510 20.427 -3.187 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -10.429 21.617 -4.935 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -11.527 22.771 -4.205 1.00 0.00 H new ATOM 1735 N ASN A 114 -10.412 20.074 -6.876 1.00 0.00 N ATOM 1736 CA ASN A 114 -10.067 20.466 -8.238 1.00 0.00 C ATOM 1737 C ASN A 114 -9.623 19.257 -9.056 1.00 0.00 C ATOM 1738 O ASN A 114 -9.562 19.314 -10.285 1.00 0.00 O ATOM 1739 CB ASN A 114 -8.957 21.520 -8.222 1.00 0.00 C ATOM 1740 CG ASN A 114 -8.950 22.370 -9.477 1.00 0.00 C ATOM 1741 OD1 ASN A 114 -9.084 23.680 -9.305 1.00 0.00 O flip ATOM 1742 ND2 ASN A 114 -8.824 21.855 -10.588 1.00 0.00 N flip ATOM 0 H ASN A 114 -9.610 19.920 -6.265 1.00 0.00 H new ATOM 0 HA ASN A 114 -10.956 20.891 -8.703 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -9.083 22.163 -7.351 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -7.991 21.025 -8.116 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -8.724 20.843 -10.673 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -8.820 22.440 -11.424 1.00 0.00 H new ATOM 1749 N LYS A 115 -9.316 18.164 -8.367 1.00 0.00 N ATOM 1750 CA LYS A 115 -8.880 16.939 -9.028 1.00 0.00 C ATOM 1751 C LYS A 115 -10.001 15.905 -9.052 1.00 0.00 C ATOM 1752 O LYS A 115 -10.486 15.479 -8.004 1.00 0.00 O ATOM 1753 CB LYS A 115 -7.653 16.361 -8.318 1.00 0.00 C ATOM 1754 CG LYS A 115 -6.539 17.372 -8.110 1.00 0.00 C ATOM 1755 CD LYS A 115 -5.828 17.696 -9.413 1.00 0.00 C ATOM 1756 CE LYS A 115 -4.549 16.887 -9.566 1.00 0.00 C ATOM 1757 NZ LYS A 115 -3.998 16.977 -10.947 1.00 0.00 N ATOM 0 H LYS A 115 -9.361 18.101 -7.350 1.00 0.00 H new ATOM 0 HA LYS A 115 -8.615 17.185 -10.056 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -7.957 15.964 -7.350 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -7.268 15.523 -8.899 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -6.951 18.286 -7.683 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -5.820 16.980 -7.390 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -6.492 17.490 -10.252 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -5.593 18.760 -9.446 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -3.805 17.245 -8.854 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -4.748 15.844 -9.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -3.127 16.412 -11.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -4.698 16.612 -11.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -3.784 17.970 -11.171 1.00 0.00 H new ATOM 1771 N GLU A 116 -10.406 15.505 -10.253 1.00 0.00 N ATOM 1772 CA GLU A 116 -11.469 14.520 -10.412 1.00 0.00 C ATOM 1773 C GLU A 116 -11.131 13.230 -9.670 1.00 0.00 C ATOM 1774 O GLU A 116 -11.829 12.837 -8.736 1.00 0.00 O ATOM 1775 CB GLU A 116 -11.702 14.223 -11.894 1.00 0.00 C ATOM 1776 CG GLU A 116 -11.940 15.466 -12.735 1.00 0.00 C ATOM 1777 CD GLU A 116 -12.460 15.142 -14.122 1.00 0.00 C ATOM 1778 OE1 GLU A 116 -12.229 14.009 -14.593 1.00 0.00 O ATOM 1779 OE2 GLU A 116 -13.097 16.023 -14.736 1.00 0.00 O ATOM 0 H GLU A 116 -10.014 15.848 -11.130 1.00 0.00 H new ATOM 0 HA GLU A 116 -12.381 14.936 -9.985 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.838 13.688 -12.289 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -12.561 13.559 -11.992 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.654 16.113 -12.226 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -11.008 16.025 -12.822 1.00 0.00 H new ATOM 1786 N ASN A 117 -10.054 12.576 -10.093 1.00 0.00 N ATOM 1787 CA ASN A 117 -9.623 11.330 -9.470 1.00 0.00 C ATOM 1788 C ASN A 117 -8.303 11.521 -8.729 1.00 0.00 C ATOM 1789 O ASN A 117 -7.529 12.425 -9.040 1.00 0.00 O ATOM 1790 CB ASN A 117 -9.473 10.233 -10.526 1.00 0.00 C ATOM 1791 CG ASN A 117 -10.597 10.253 -11.544 1.00 0.00 C ATOM 1792 OD1 ASN A 117 -10.358 10.207 -12.751 1.00 0.00 O ATOM 1793 ND2 ASN A 117 -11.832 10.323 -11.060 1.00 0.00 N ATOM 0 H ASN A 117 -9.464 12.888 -10.864 1.00 0.00 H new ATOM 0 HA ASN A 117 -10.384 11.030 -8.750 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -8.519 10.355 -11.039 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -9.449 9.260 -10.035 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -12.629 10.340 -11.696 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -11.983 10.359 -10.052 1.00 0.00 H new ATOM 1800 N ALA A 118 -8.053 10.661 -7.746 1.00 0.00 N ATOM 1801 CA ALA A 118 -6.827 10.733 -6.962 1.00 0.00 C ATOM 1802 C ALA A 118 -5.596 10.686 -7.861 1.00 0.00 C ATOM 1803 O ALA A 118 -5.705 10.454 -9.065 1.00 0.00 O ATOM 1804 CB ALA A 118 -6.783 9.602 -5.945 1.00 0.00 C ATOM 0 H ALA A 118 -8.684 9.907 -7.474 1.00 0.00 H new ATOM 0 HA ALA A 118 -6.821 11.685 -6.431 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -5.862 9.668 -5.367 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -7.639 9.682 -5.275 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -6.817 8.644 -6.464 1.00 0.00 H new ATOM 1810 N GLU A 119 -4.427 10.908 -7.269 1.00 0.00 N ATOM 1811 CA GLU A 119 -3.177 10.892 -8.019 1.00 0.00 C ATOM 1812 C GLU A 119 -2.483 9.538 -7.892 1.00 0.00 C ATOM 1813 O GLU A 119 -1.890 9.040 -8.849 1.00 0.00 O ATOM 1814 CB GLU A 119 -2.246 12.002 -7.526 1.00 0.00 C ATOM 1815 CG GLU A 119 -2.942 13.339 -7.336 1.00 0.00 C ATOM 1816 CD GLU A 119 -3.900 13.664 -8.465 1.00 0.00 C ATOM 1817 OE1 GLU A 119 -3.427 13.880 -9.600 1.00 0.00 O ATOM 1818 OE2 GLU A 119 -5.123 13.703 -8.214 1.00 0.00 O ATOM 0 H GLU A 119 -4.320 11.101 -6.273 1.00 0.00 H new ATOM 0 HA GLU A 119 -3.412 11.064 -9.069 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -1.799 11.697 -6.580 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -1.431 12.124 -8.239 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -3.488 13.329 -6.393 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -2.193 14.127 -7.262 1.00 0.00 H new ATOM 1825 N TYR A 120 -2.562 8.949 -6.704 1.00 0.00 N ATOM 1826 CA TYR A 120 -1.940 7.655 -6.449 1.00 0.00 C ATOM 1827 C TYR A 120 -2.957 6.526 -6.584 1.00 0.00 C ATOM 1828 O TYR A 120 -3.853 6.382 -5.753 1.00 0.00 O ATOM 1829 CB TYR A 120 -1.316 7.631 -5.053 1.00 0.00 C ATOM 1830 CG TYR A 120 -0.147 8.577 -4.895 1.00 0.00 C ATOM 1831 CD1 TYR A 120 1.138 8.190 -5.255 1.00 0.00 C ATOM 1832 CD2 TYR A 120 -0.327 9.857 -4.387 1.00 0.00 C ATOM 1833 CE1 TYR A 120 2.209 9.050 -5.112 1.00 0.00 C ATOM 1834 CE2 TYR A 120 0.738 10.725 -4.242 1.00 0.00 C ATOM 1835 CZ TYR A 120 2.004 10.317 -4.606 1.00 0.00 C ATOM 1836 OH TYR A 120 3.068 11.177 -4.462 1.00 0.00 O ATOM 0 H TYR A 120 -3.051 9.347 -5.902 1.00 0.00 H new ATOM 0 HA TYR A 120 -1.156 7.504 -7.192 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -2.080 7.885 -4.318 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -0.984 6.617 -4.830 1.00 0.00 H new ATOM 0 HD1 TYR A 120 1.302 7.200 -5.653 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -1.317 10.180 -4.100 1.00 0.00 H new ATOM 0 HE1 TYR A 120 3.202 8.732 -5.395 1.00 0.00 H new ATOM 0 HE2 TYR A 120 0.580 11.717 -3.846 1.00 0.00 H new ATOM 0 HH TYR A 120 3.743 10.980 -5.145 1.00 0.00 H new ATOM 1846 N GLU A 121 -2.809 5.728 -7.637 1.00 0.00 N ATOM 1847 CA GLU A 121 -3.715 4.611 -7.881 1.00 0.00 C ATOM 1848 C GLU A 121 -2.946 3.381 -8.353 1.00 0.00 C ATOM 1849 O GLU A 121 -1.947 3.494 -9.063 1.00 0.00 O ATOM 1850 CB GLU A 121 -4.768 4.998 -8.921 1.00 0.00 C ATOM 1851 CG GLU A 121 -5.968 5.721 -8.333 1.00 0.00 C ATOM 1852 CD GLU A 121 -6.651 6.630 -9.336 1.00 0.00 C ATOM 1853 OE1 GLU A 121 -6.055 7.666 -9.701 1.00 0.00 O ATOM 1854 OE2 GLU A 121 -7.781 6.306 -9.757 1.00 0.00 O ATOM 0 H GLU A 121 -2.072 5.834 -8.334 1.00 0.00 H new ATOM 0 HA GLU A 121 -4.214 4.369 -6.943 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -4.305 5.634 -9.675 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -5.111 4.098 -9.431 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -6.686 4.987 -7.966 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -5.647 6.310 -7.474 1.00 0.00 H new ATOM 1861 N TYR A 122 -3.419 2.206 -7.952 1.00 0.00 N ATOM 1862 CA TYR A 122 -2.775 0.953 -8.330 1.00 0.00 C ATOM 1863 C TYR A 122 -3.811 -0.091 -8.734 1.00 0.00 C ATOM 1864 O TYR A 122 -5.011 0.181 -8.744 1.00 0.00 O ATOM 1865 CB TYR A 122 -1.925 0.423 -7.175 1.00 0.00 C ATOM 1866 CG TYR A 122 -1.102 1.491 -6.489 1.00 0.00 C ATOM 1867 CD1 TYR A 122 -1.644 2.266 -5.471 1.00 0.00 C ATOM 1868 CD2 TYR A 122 0.217 1.724 -6.859 1.00 0.00 C ATOM 1869 CE1 TYR A 122 -0.896 3.243 -4.843 1.00 0.00 C ATOM 1870 CE2 TYR A 122 0.972 2.698 -6.235 1.00 0.00 C ATOM 1871 CZ TYR A 122 0.411 3.455 -5.228 1.00 0.00 C ATOM 1872 OH TYR A 122 1.160 4.426 -4.603 1.00 0.00 O ATOM 0 H TYR A 122 -4.246 2.095 -7.365 1.00 0.00 H new ATOM 0 HA TYR A 122 -2.130 1.150 -9.186 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -2.578 -0.048 -6.441 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -1.258 -0.352 -7.552 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -2.667 2.102 -5.166 1.00 0.00 H new ATOM 0 HD2 TYR A 122 0.659 1.134 -7.648 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -1.333 3.838 -4.054 1.00 0.00 H new ATOM 0 HE2 TYR A 122 1.996 2.866 -6.534 1.00 0.00 H new ATOM 0 HH TYR A 122 2.059 4.446 -4.992 1.00 0.00 H new ATOM 1882 N GLU A 123 -3.337 -1.288 -9.067 1.00 0.00 N ATOM 1883 CA GLU A 123 -4.222 -2.374 -9.472 1.00 0.00 C ATOM 1884 C GLU A 123 -3.604 -3.730 -9.143 1.00 0.00 C ATOM 1885 O GLU A 123 -2.611 -4.135 -9.747 1.00 0.00 O ATOM 1886 CB GLU A 123 -4.519 -2.287 -10.971 1.00 0.00 C ATOM 1887 CG GLU A 123 -5.489 -3.348 -11.462 1.00 0.00 C ATOM 1888 CD GLU A 123 -5.377 -3.597 -12.953 1.00 0.00 C ATOM 1889 OE1 GLU A 123 -4.440 -4.312 -13.366 1.00 0.00 O ATOM 1890 OE2 GLU A 123 -6.225 -3.076 -13.708 1.00 0.00 O ATOM 0 H GLU A 123 -2.346 -1.530 -9.064 1.00 0.00 H new ATOM 0 HA GLU A 123 -5.155 -2.275 -8.917 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -4.928 -1.302 -11.195 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -3.584 -2.378 -11.524 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -5.304 -4.280 -10.927 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -6.508 -3.041 -11.224 1.00 0.00 H new ATOM 1897 N VAL A 124 -4.200 -4.427 -8.181 1.00 0.00 N ATOM 1898 CA VAL A 124 -3.711 -5.737 -7.771 1.00 0.00 C ATOM 1899 C VAL A 124 -3.639 -6.693 -8.957 1.00 0.00 C ATOM 1900 O VAL A 124 -4.663 -7.075 -9.524 1.00 0.00 O ATOM 1901 CB VAL A 124 -4.607 -6.356 -6.681 1.00 0.00 C ATOM 1902 CG1 VAL A 124 -4.019 -7.669 -6.188 1.00 0.00 C ATOM 1903 CG2 VAL A 124 -4.794 -5.380 -5.529 1.00 0.00 C ATOM 0 H VAL A 124 -5.023 -4.106 -7.671 1.00 0.00 H new ATOM 0 HA VAL A 124 -2.710 -5.588 -7.366 1.00 0.00 H new ATOM 0 HB VAL A 124 -5.585 -6.564 -7.114 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -4.666 -8.091 -5.419 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -3.941 -8.368 -7.021 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -3.028 -7.490 -5.771 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -5.429 -5.833 -4.768 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -3.824 -5.139 -5.095 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -5.263 -4.468 -5.897 1.00 0.00 H new ATOM 1913 N THR A 125 -2.421 -7.078 -9.327 1.00 0.00 N ATOM 1914 CA THR A 125 -2.214 -7.988 -10.445 1.00 0.00 C ATOM 1915 C THR A 125 -1.088 -8.973 -10.152 1.00 0.00 C ATOM 1916 O THR A 125 -0.152 -8.657 -9.419 1.00 0.00 O ATOM 1917 CB THR A 125 -1.887 -7.222 -11.741 1.00 0.00 C ATOM 1918 OG1 THR A 125 -1.799 -8.134 -12.841 1.00 0.00 O ATOM 1919 CG2 THR A 125 -0.578 -6.459 -11.602 1.00 0.00 C ATOM 0 H THR A 125 -1.563 -6.773 -8.868 1.00 0.00 H new ATOM 0 HA THR A 125 -3.146 -8.536 -10.582 1.00 0.00 H new ATOM 0 HB THR A 125 -2.689 -6.507 -11.927 1.00 0.00 H new ATOM 0 HG1 THR A 125 -1.593 -7.639 -13.661 1.00 0.00 H new ATOM 0 HG21 THR A 125 -0.367 -5.926 -12.529 1.00 0.00 H new ATOM 0 HG22 THR A 125 -0.659 -5.745 -10.783 1.00 0.00 H new ATOM 0 HG23 THR A 125 0.231 -7.159 -11.394 1.00 0.00 H new ATOM 1927 N GLU A 126 -1.185 -10.166 -10.731 1.00 0.00 N ATOM 1928 CA GLU A 126 -0.172 -11.196 -10.530 1.00 0.00 C ATOM 1929 C GLU A 126 0.792 -11.248 -11.711 1.00 0.00 C ATOM 1930 O GLU A 126 0.467 -11.789 -12.767 1.00 0.00 O ATOM 1931 CB GLU A 126 -0.834 -12.562 -10.337 1.00 0.00 C ATOM 1932 CG GLU A 126 0.128 -13.645 -9.880 1.00 0.00 C ATOM 1933 CD GLU A 126 -0.535 -15.004 -9.764 1.00 0.00 C ATOM 1934 OE1 GLU A 126 -1.432 -15.297 -10.582 1.00 0.00 O ATOM 1935 OE2 GLU A 126 -0.158 -15.773 -8.856 1.00 0.00 O ATOM 0 H GLU A 126 -1.953 -10.443 -11.342 1.00 0.00 H new ATOM 0 HA GLU A 126 0.393 -10.944 -9.633 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -1.636 -12.468 -9.605 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -1.294 -12.869 -11.276 1.00 0.00 H new ATOM 0 HG2 GLU A 126 0.958 -13.709 -10.584 1.00 0.00 H new ATOM 0 HG3 GLU A 126 0.550 -13.367 -8.914 1.00 0.00 H new ATOM 1942 N GLU A 127 1.980 -10.680 -11.524 1.00 0.00 N ATOM 1943 CA GLU A 127 2.991 -10.661 -12.574 1.00 0.00 C ATOM 1944 C GLU A 127 4.295 -11.286 -12.086 1.00 0.00 C ATOM 1945 O GLU A 127 4.610 -11.240 -10.896 1.00 0.00 O ATOM 1946 CB GLU A 127 3.244 -9.227 -13.043 1.00 0.00 C ATOM 1947 CG GLU A 127 2.180 -8.701 -13.993 1.00 0.00 C ATOM 1948 CD GLU A 127 2.155 -9.448 -15.312 1.00 0.00 C ATOM 1949 OE1 GLU A 127 3.130 -10.174 -15.600 1.00 0.00 O ATOM 1950 OE2 GLU A 127 1.163 -9.306 -16.056 1.00 0.00 O ATOM 0 H GLU A 127 2.265 -10.227 -10.656 1.00 0.00 H new ATOM 0 HA GLU A 127 2.618 -11.249 -13.412 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.297 -8.573 -12.173 1.00 0.00 H new ATOM 0 HB3 GLU A 127 4.215 -9.181 -13.537 1.00 0.00 H new ATOM 0 HG2 GLU A 127 1.203 -8.779 -13.517 1.00 0.00 H new ATOM 0 HG3 GLU A 127 2.359 -7.643 -14.182 1.00 0.00 H new ATOM 1957 N ASP A 128 5.048 -11.868 -13.012 1.00 0.00 N ATOM 1958 CA ASP A 128 6.318 -12.501 -12.677 1.00 0.00 C ATOM 1959 C ASP A 128 7.349 -11.461 -12.250 1.00 0.00 C ATOM 1960 O ASP A 128 7.278 -10.301 -12.656 1.00 0.00 O ATOM 1961 CB ASP A 128 6.845 -13.299 -13.871 1.00 0.00 C ATOM 1962 CG ASP A 128 5.949 -14.469 -14.227 1.00 0.00 C ATOM 1963 OD1 ASP A 128 4.892 -14.239 -14.851 1.00 0.00 O ATOM 1964 OD2 ASP A 128 6.305 -15.615 -13.882 1.00 0.00 O ATOM 0 H ASP A 128 4.801 -11.915 -14.001 1.00 0.00 H new ATOM 0 HA ASP A 128 6.147 -13.180 -11.842 1.00 0.00 H new ATOM 0 HB2 ASP A 128 6.936 -12.639 -14.734 1.00 0.00 H new ATOM 0 HB3 ASP A 128 7.846 -13.667 -13.645 1.00 0.00 H new ATOM 1969 N TRP A 129 8.303 -11.883 -11.429 1.00 0.00 N ATOM 1970 CA TRP A 129 9.348 -10.987 -10.946 1.00 0.00 C ATOM 1971 C TRP A 129 10.121 -10.376 -12.110 1.00 0.00 C ATOM 1972 O TRP A 129 10.557 -9.227 -12.040 1.00 0.00 O ATOM 1973 CB TRP A 129 10.305 -11.738 -10.020 1.00 0.00 C ATOM 1974 CG TRP A 129 11.590 -11.007 -9.774 1.00 0.00 C ATOM 1975 CD1 TRP A 129 12.809 -11.285 -10.322 1.00 0.00 C ATOM 1976 CD2 TRP A 129 11.782 -9.878 -8.915 1.00 0.00 C ATOM 1977 NE1 TRP A 129 13.748 -10.397 -9.855 1.00 0.00 N ATOM 1978 CE2 TRP A 129 13.143 -9.523 -8.991 1.00 0.00 C ATOM 1979 CE3 TRP A 129 10.937 -9.131 -8.090 1.00 0.00 C ATOM 1980 CZ2 TRP A 129 13.676 -8.456 -8.273 1.00 0.00 C ATOM 1981 CZ3 TRP A 129 11.467 -8.072 -7.377 1.00 0.00 C ATOM 1982 CH2 TRP A 129 12.825 -7.742 -7.473 1.00 0.00 C ATOM 0 H TRP A 129 8.375 -12.840 -11.083 1.00 0.00 H new ATOM 0 HA TRP A 129 8.872 -10.181 -10.387 1.00 0.00 H new ATOM 0 HB2 TRP A 129 9.809 -11.918 -9.066 1.00 0.00 H new ATOM 0 HB3 TRP A 129 10.527 -12.713 -10.453 1.00 0.00 H new ATOM 0 HD1 TRP A 129 13.006 -12.085 -11.020 1.00 0.00 H new ATOM 0 HE1 TRP A 129 14.735 -10.390 -10.110 1.00 0.00 H new ATOM 0 HE3 TRP A 129 9.888 -9.377 -8.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 14.723 -8.201 -8.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 10.823 -7.489 -6.735 1.00 0.00 H new ATOM 0 HH2 TRP A 129 13.208 -6.908 -6.904 1.00 0.00 H new ATOM 1993 N GLU A 130 10.287 -11.151 -13.177 1.00 0.00 N ATOM 1994 CA GLU A 130 11.009 -10.683 -14.355 1.00 0.00 C ATOM 1995 C GLU A 130 10.175 -9.674 -15.139 1.00 0.00 C ATOM 1996 O GLU A 130 10.654 -9.067 -16.097 1.00 0.00 O ATOM 1997 CB GLU A 130 11.379 -11.864 -15.255 1.00 0.00 C ATOM 1998 CG GLU A 130 11.960 -13.047 -14.499 1.00 0.00 C ATOM 1999 CD GLU A 130 13.197 -13.615 -15.167 1.00 0.00 C ATOM 2000 OE1 GLU A 130 14.290 -13.040 -14.979 1.00 0.00 O ATOM 2001 OE2 GLU A 130 13.073 -14.634 -15.878 1.00 0.00 O ATOM 0 H GLU A 130 9.932 -12.104 -13.250 1.00 0.00 H new ATOM 0 HA GLU A 130 11.922 -10.191 -14.019 1.00 0.00 H new ATOM 0 HB2 GLU A 130 10.491 -12.190 -15.796 1.00 0.00 H new ATOM 0 HB3 GLU A 130 12.101 -11.530 -16.000 1.00 0.00 H new ATOM 0 HG2 GLU A 130 12.209 -12.738 -13.484 1.00 0.00 H new ATOM 0 HG3 GLU A 130 11.204 -13.828 -14.418 1.00 0.00 H new ATOM 2008 N THR A 131 8.924 -9.499 -14.724 1.00 0.00 N ATOM 2009 CA THR A 131 8.023 -8.565 -15.387 1.00 0.00 C ATOM 2010 C THR A 131 7.947 -7.243 -14.631 1.00 0.00 C ATOM 2011 O THR A 131 7.786 -6.182 -15.234 1.00 0.00 O ATOM 2012 CB THR A 131 6.604 -9.151 -15.518 1.00 0.00 C ATOM 2013 OG1 THR A 131 6.641 -10.356 -16.290 1.00 0.00 O ATOM 2014 CG2 THR A 131 5.665 -8.151 -16.175 1.00 0.00 C ATOM 0 H THR A 131 8.512 -9.992 -13.932 1.00 0.00 H new ATOM 0 HA THR A 131 8.429 -8.388 -16.383 1.00 0.00 H new ATOM 0 HB THR A 131 6.232 -9.372 -14.518 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.736 -10.723 -16.367 1.00 0.00 H new ATOM 0 HG21 THR A 131 4.669 -8.587 -16.257 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.616 -7.246 -15.570 1.00 0.00 H new ATOM 0 HG23 THR A 131 6.036 -7.903 -17.170 1.00 0.00 H new ATOM 2022 N ILE A 132 8.065 -7.316 -13.310 1.00 0.00 N ATOM 2023 CA ILE A 132 8.011 -6.124 -12.473 1.00 0.00 C ATOM 2024 C ILE A 132 9.412 -5.621 -12.142 1.00 0.00 C ATOM 2025 O ILE A 132 9.595 -4.462 -11.767 1.00 0.00 O ATOM 2026 CB ILE A 132 7.251 -6.391 -11.160 1.00 0.00 C ATOM 2027 CG1 ILE A 132 5.897 -7.042 -11.453 1.00 0.00 C ATOM 2028 CG2 ILE A 132 7.065 -5.097 -10.383 1.00 0.00 C ATOM 2029 CD1 ILE A 132 5.339 -7.826 -10.287 1.00 0.00 C ATOM 0 H ILE A 132 8.199 -8.187 -12.796 1.00 0.00 H new ATOM 0 HA ILE A 132 7.479 -5.363 -13.043 1.00 0.00 H new ATOM 0 HB ILE A 132 7.839 -7.077 -10.550 1.00 0.00 H new ATOM 0 HG12 ILE A 132 5.184 -6.267 -11.734 1.00 0.00 H new ATOM 0 HG13 ILE A 132 6.000 -7.706 -12.311 1.00 0.00 H new ATOM 0 HG21 ILE A 132 6.526 -5.302 -9.458 1.00 0.00 H new ATOM 0 HG22 ILE A 132 8.040 -4.670 -10.148 1.00 0.00 H new ATOM 0 HG23 ILE A 132 6.495 -4.390 -10.985 1.00 0.00 H new ATOM 0 HD11 ILE A 132 4.379 -8.259 -10.566 1.00 0.00 H new ATOM 0 HD12 ILE A 132 6.033 -8.623 -10.019 1.00 0.00 H new ATOM 0 HD13 ILE A 132 5.203 -7.162 -9.434 1.00 0.00 H new ATOM 2041 N TYR A 133 10.399 -6.499 -12.285 1.00 0.00 N ATOM 2042 CA TYR A 133 11.784 -6.145 -12.000 1.00 0.00 C ATOM 2043 C TYR A 133 12.182 -4.868 -12.735 1.00 0.00 C ATOM 2044 O TYR A 133 12.621 -3.887 -12.135 1.00 0.00 O ATOM 2045 CB TYR A 133 12.717 -7.289 -12.401 1.00 0.00 C ATOM 2046 CG TYR A 133 14.104 -6.830 -12.791 1.00 0.00 C ATOM 2047 CD1 TYR A 133 14.829 -5.971 -11.974 1.00 0.00 C ATOM 2048 CD2 TYR A 133 14.690 -7.256 -13.977 1.00 0.00 C ATOM 2049 CE1 TYR A 133 16.096 -5.548 -12.327 1.00 0.00 C ATOM 2050 CE2 TYR A 133 15.957 -6.840 -14.337 1.00 0.00 C ATOM 2051 CZ TYR A 133 16.656 -5.986 -13.509 1.00 0.00 C ATOM 2052 OH TYR A 133 17.918 -5.569 -13.865 1.00 0.00 O ATOM 0 H TYR A 133 10.265 -7.461 -12.597 1.00 0.00 H new ATOM 0 HA TYR A 133 11.875 -5.969 -10.928 1.00 0.00 H new ATOM 0 HB2 TYR A 133 12.796 -7.991 -11.571 1.00 0.00 H new ATOM 0 HB3 TYR A 133 12.275 -7.832 -13.236 1.00 0.00 H new ATOM 0 HD1 TYR A 133 14.394 -5.628 -11.047 1.00 0.00 H new ATOM 0 HD2 TYR A 133 14.145 -7.924 -14.628 1.00 0.00 H new ATOM 0 HE1 TYR A 133 16.645 -4.878 -11.681 1.00 0.00 H new ATOM 0 HE2 TYR A 133 16.398 -7.181 -15.262 1.00 0.00 H new ATOM 0 HH TYR A 133 18.165 -5.970 -14.725 1.00 0.00 H new ATOM 2062 N PRO A 134 12.025 -4.880 -14.067 1.00 0.00 N ATOM 2063 CA PRO A 134 12.360 -3.732 -14.914 1.00 0.00 C ATOM 2064 C PRO A 134 11.716 -2.440 -14.421 1.00 0.00 C ATOM 2065 O PRO A 134 12.382 -1.411 -14.299 1.00 0.00 O ATOM 2066 CB PRO A 134 11.794 -4.122 -16.282 1.00 0.00 C ATOM 2067 CG PRO A 134 11.802 -5.612 -16.283 1.00 0.00 C ATOM 2068 CD PRO A 134 11.507 -6.015 -14.849 1.00 0.00 C ATOM 0 HA PRO A 134 13.431 -3.531 -14.922 1.00 0.00 H new ATOM 0 HB2 PRO A 134 10.786 -3.731 -16.420 1.00 0.00 H new ATOM 0 HB3 PRO A 134 12.404 -3.722 -17.092 1.00 0.00 H new ATOM 0 HG2 PRO A 134 11.051 -6.009 -16.966 1.00 0.00 H new ATOM 0 HG3 PRO A 134 12.767 -6.000 -16.610 1.00 0.00 H new ATOM 0 HD2 PRO A 134 10.440 -6.164 -14.684 1.00 0.00 H new ATOM 0 HD3 PRO A 134 12.004 -6.948 -14.583 1.00 0.00 H new ATOM 2076 N CYS A 135 10.420 -2.501 -14.138 1.00 0.00 N ATOM 2077 CA CYS A 135 9.686 -1.335 -13.658 1.00 0.00 C ATOM 2078 C CYS A 135 9.318 -1.493 -12.186 1.00 0.00 C ATOM 2079 O CYS A 135 8.141 -1.486 -11.825 1.00 0.00 O ATOM 2080 CB CYS A 135 8.422 -1.123 -14.493 1.00 0.00 C ATOM 2081 SG CYS A 135 8.695 -1.199 -16.278 1.00 0.00 S ATOM 0 H CYS A 135 9.855 -3.345 -14.232 1.00 0.00 H new ATOM 0 HA CYS A 135 10.331 -0.462 -13.761 1.00 0.00 H new ATOM 0 HB2 CYS A 135 7.686 -1.878 -14.216 1.00 0.00 H new ATOM 0 HB3 CYS A 135 7.993 -0.153 -14.243 1.00 0.00 H new ATOM 0 HG CYS A 135 7.568 -1.010 -16.898 1.00 0.00 H new ATOM 2087 N LEU A 136 10.333 -1.636 -11.341 1.00 0.00 N ATOM 2088 CA LEU A 136 10.116 -1.798 -9.907 1.00 0.00 C ATOM 2089 C LEU A 136 10.089 -0.444 -9.205 1.00 0.00 C ATOM 2090 O LEU A 136 10.973 0.389 -9.405 1.00 0.00 O ATOM 2091 CB LEU A 136 11.212 -2.677 -9.302 1.00 0.00 C ATOM 2092 CG LEU A 136 10.773 -4.059 -8.818 1.00 0.00 C ATOM 2093 CD1 LEU A 136 11.922 -4.771 -8.120 1.00 0.00 C ATOM 2094 CD2 LEU A 136 9.573 -3.943 -7.889 1.00 0.00 C ATOM 0 H LEU A 136 11.313 -1.643 -11.623 1.00 0.00 H new ATOM 0 HA LEU A 136 9.150 -2.281 -9.762 1.00 0.00 H new ATOM 0 HB2 LEU A 136 11.998 -2.807 -10.046 1.00 0.00 H new ATOM 0 HB3 LEU A 136 11.655 -2.143 -8.461 1.00 0.00 H new ATOM 0 HG LEU A 136 10.480 -4.650 -9.686 1.00 0.00 H new ATOM 0 HD11 LEU A 136 11.590 -5.753 -7.783 1.00 0.00 H new ATOM 0 HD12 LEU A 136 12.753 -4.888 -8.815 1.00 0.00 H new ATOM 0 HD13 LEU A 136 12.247 -4.183 -7.262 1.00 0.00 H new ATOM 0 HD21 LEU A 136 9.274 -4.937 -7.554 1.00 0.00 H new ATOM 0 HD22 LEU A 136 9.839 -3.334 -7.025 1.00 0.00 H new ATOM 0 HD23 LEU A 136 8.745 -3.475 -8.421 1.00 0.00 H new ATOM 2106 N SER A 137 9.068 -0.232 -8.380 1.00 0.00 N ATOM 2107 CA SER A 137 8.925 1.022 -7.649 1.00 0.00 C ATOM 2108 C SER A 137 10.160 1.299 -6.797 1.00 0.00 C ATOM 2109 O SER A 137 10.940 0.401 -6.479 1.00 0.00 O ATOM 2110 CB SER A 137 7.679 0.979 -6.762 1.00 0.00 C ATOM 2111 OG SER A 137 7.957 1.484 -5.467 1.00 0.00 O ATOM 0 H SER A 137 8.329 -0.912 -8.201 1.00 0.00 H new ATOM 0 HA SER A 137 8.819 1.828 -8.375 1.00 0.00 H new ATOM 0 HB2 SER A 137 6.882 1.564 -7.221 1.00 0.00 H new ATOM 0 HB3 SER A 137 7.318 -0.047 -6.686 1.00 0.00 H new ATOM 0 HG SER A 137 7.569 0.888 -4.793 1.00 0.00 H new ATOM 2117 N PRO A 138 10.343 2.572 -6.418 1.00 0.00 N ATOM 2118 CA PRO A 138 11.481 2.998 -5.598 1.00 0.00 C ATOM 2119 C PRO A 138 11.388 2.483 -4.166 1.00 0.00 C ATOM 2120 O PRO A 138 10.601 2.986 -3.363 1.00 0.00 O ATOM 2121 CB PRO A 138 11.385 4.526 -5.624 1.00 0.00 C ATOM 2122 CG PRO A 138 9.945 4.810 -5.881 1.00 0.00 C ATOM 2123 CD PRO A 138 9.453 3.694 -6.761 1.00 0.00 C ATOM 0 HA PRO A 138 12.426 2.610 -5.979 1.00 0.00 H new ATOM 0 HB2 PRO A 138 11.712 4.959 -4.679 1.00 0.00 H new ATOM 0 HB3 PRO A 138 12.018 4.949 -6.404 1.00 0.00 H new ATOM 0 HG2 PRO A 138 9.382 4.848 -4.948 1.00 0.00 H new ATOM 0 HG3 PRO A 138 9.819 5.776 -6.369 1.00 0.00 H new ATOM 0 HD2 PRO A 138 8.409 3.455 -6.560 1.00 0.00 H new ATOM 0 HD3 PRO A 138 9.523 3.954 -7.817 1.00 0.00 H new ATOM 2131 N LYS A 139 12.197 1.477 -3.850 1.00 0.00 N ATOM 2132 CA LYS A 139 12.209 0.894 -2.514 1.00 0.00 C ATOM 2133 C LYS A 139 13.062 1.727 -1.564 1.00 0.00 C ATOM 2134 O LYS A 139 14.291 1.668 -1.605 1.00 0.00 O ATOM 2135 CB LYS A 139 12.738 -0.541 -2.566 1.00 0.00 C ATOM 2136 CG LYS A 139 11.681 -1.566 -2.940 1.00 0.00 C ATOM 2137 CD LYS A 139 12.232 -2.981 -2.888 1.00 0.00 C ATOM 2138 CE LYS A 139 12.106 -3.577 -1.495 1.00 0.00 C ATOM 2139 NZ LYS A 139 13.098 -4.664 -1.265 1.00 0.00 N ATOM 0 H LYS A 139 12.854 1.048 -4.502 1.00 0.00 H new ATOM 0 HA LYS A 139 11.185 0.884 -2.140 1.00 0.00 H new ATOM 0 HB2 LYS A 139 13.554 -0.593 -3.287 1.00 0.00 H new ATOM 0 HB3 LYS A 139 13.156 -0.801 -1.593 1.00 0.00 H new ATOM 0 HG2 LYS A 139 10.833 -1.480 -2.261 1.00 0.00 H new ATOM 0 HG3 LYS A 139 11.309 -1.356 -3.943 1.00 0.00 H new ATOM 0 HD2 LYS A 139 11.698 -3.607 -3.603 1.00 0.00 H new ATOM 0 HD3 LYS A 139 13.279 -2.976 -3.189 1.00 0.00 H new ATOM 0 HE2 LYS A 139 12.247 -2.793 -0.751 1.00 0.00 H new ATOM 0 HE3 LYS A 139 11.099 -3.970 -1.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 12.980 -5.044 -0.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 12.948 -5.424 -1.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 14.060 -4.284 -1.371 1.00 0.00 H new ATOM 2153 N SER A 140 12.403 2.502 -0.708 1.00 0.00 N ATOM 2154 CA SER A 140 13.102 3.349 0.251 1.00 0.00 C ATOM 2155 C SER A 140 13.842 2.505 1.283 1.00 0.00 C ATOM 2156 O SER A 140 13.382 1.431 1.669 1.00 0.00 O ATOM 2157 CB SER A 140 12.115 4.284 0.952 1.00 0.00 C ATOM 2158 OG SER A 140 11.785 3.801 2.243 1.00 0.00 O ATOM 0 H SER A 140 11.386 2.561 -0.659 1.00 0.00 H new ATOM 0 HA SER A 140 13.832 3.947 -0.294 1.00 0.00 H new ATOM 0 HB2 SER A 140 12.548 5.281 1.033 1.00 0.00 H new ATOM 0 HB3 SER A 140 11.209 4.378 0.353 1.00 0.00 H new ATOM 0 HG SER A 140 12.261 4.325 2.920 1.00 0.00 H new ATOM 2164 N GLY A 141 14.994 2.999 1.728 1.00 0.00 N ATOM 2165 CA GLY A 141 15.781 2.278 2.711 1.00 0.00 C ATOM 2166 C GLY A 141 17.146 1.882 2.185 1.00 0.00 C ATOM 2167 O GLY A 141 17.548 2.269 1.087 1.00 0.00 O ATOM 0 H GLY A 141 15.396 3.886 1.425 1.00 0.00 H new ATOM 0 HA2 GLY A 141 15.903 2.898 3.599 1.00 0.00 H new ATOM 0 HA3 GLY A 141 15.240 1.383 3.019 1.00 0.00 H new ATOM 2171 N PRO A 142 17.885 1.094 2.980 1.00 0.00 N ATOM 2172 CA PRO A 142 19.225 0.630 2.609 1.00 0.00 C ATOM 2173 C PRO A 142 19.193 -0.383 1.469 1.00 0.00 C ATOM 2174 O PRO A 142 18.131 -0.882 1.100 1.00 0.00 O ATOM 2175 CB PRO A 142 19.741 -0.025 3.892 1.00 0.00 C ATOM 2176 CG PRO A 142 18.513 -0.437 4.628 1.00 0.00 C ATOM 2177 CD PRO A 142 17.469 0.595 4.301 1.00 0.00 C ATOM 0 HA PRO A 142 19.853 1.444 2.248 1.00 0.00 H new ATOM 0 HB2 PRO A 142 20.376 -0.883 3.671 1.00 0.00 H new ATOM 0 HB3 PRO A 142 20.339 0.672 4.479 1.00 0.00 H new ATOM 0 HG2 PRO A 142 18.189 -1.431 4.321 1.00 0.00 H new ATOM 0 HG3 PRO A 142 18.697 -0.479 5.702 1.00 0.00 H new ATOM 0 HD2 PRO A 142 16.470 0.160 4.270 1.00 0.00 H new ATOM 0 HD3 PRO A 142 17.446 1.393 5.043 1.00 0.00 H new ATOM 2185 N SER A 143 20.364 -0.682 0.916 1.00 0.00 N ATOM 2186 CA SER A 143 20.470 -1.633 -0.184 1.00 0.00 C ATOM 2187 C SER A 143 20.721 -3.044 0.340 1.00 0.00 C ATOM 2188 O SER A 143 21.867 -3.459 0.514 1.00 0.00 O ATOM 2189 CB SER A 143 21.595 -1.222 -1.135 1.00 0.00 C ATOM 2190 OG SER A 143 22.801 -0.989 -0.428 1.00 0.00 O ATOM 0 H SER A 143 21.253 -0.279 1.212 1.00 0.00 H new ATOM 0 HA SER A 143 19.525 -1.629 -0.728 1.00 0.00 H new ATOM 0 HB2 SER A 143 21.751 -2.004 -1.878 1.00 0.00 H new ATOM 0 HB3 SER A 143 21.307 -0.321 -1.676 1.00 0.00 H new ATOM 0 HG SER A 143 22.980 -1.744 0.171 1.00 0.00 H new ATOM 2196 N SER A 144 19.640 -3.777 0.590 1.00 0.00 N ATOM 2197 CA SER A 144 19.742 -5.140 1.098 1.00 0.00 C ATOM 2198 C SER A 144 20.409 -5.160 2.470 1.00 0.00 C ATOM 2199 O SER A 144 21.058 -6.136 2.842 1.00 0.00 O ATOM 2200 CB SER A 144 20.532 -6.013 0.121 1.00 0.00 C ATOM 2201 OG SER A 144 20.203 -5.702 -1.222 1.00 0.00 O ATOM 0 H SER A 144 18.684 -3.450 0.449 1.00 0.00 H new ATOM 0 HA SER A 144 18.733 -5.541 1.198 1.00 0.00 H new ATOM 0 HB2 SER A 144 21.600 -5.867 0.280 1.00 0.00 H new ATOM 0 HB3 SER A 144 20.322 -7.065 0.316 1.00 0.00 H new ATOM 0 HG SER A 144 20.722 -6.272 -1.827 1.00 0.00 H new ATOM 2207 N GLY A 145 20.243 -4.074 3.218 1.00 0.00 N ATOM 2208 CA GLY A 145 20.834 -3.986 4.540 1.00 0.00 C ATOM 2209 C GLY A 145 19.924 -4.538 5.620 1.00 0.00 C ATOM 2210 O GLY A 145 19.338 -3.780 6.393 1.00 0.00 O ATOM 0 H GLY A 145 19.709 -3.253 2.932 1.00 0.00 H new ATOM 0 HA2 GLY A 145 21.777 -4.532 4.550 1.00 0.00 H new ATOM 0 HA3 GLY A 145 21.066 -2.944 4.762 1.00 0.00 H new TER 2214 GLY A 145