USER MOD reduce.3.24.130724 H: found=0, std=0, add=1030, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1028 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 103 ASN :FLIP amide:sc= -0.18 F(o=-3.5,f=-2) USER MOD Set 1.2: A 108 HIS : no HE2:sc= -1.82 K(o=-2,f=-3.5!) USER MOD Set 2.1: A 86 TYR OH : rot -160:sc= -0.0558 USER MOD Set 2.2: A 98 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.4) USER MOD Set 3.1: A 22 MET CE :methyl -139:sc= -6.88! (180deg=-12.1!) USER MOD Set 3.2: A 74 ASN : amide:sc= -1.17 K(o=-8.4,f=-10!) USER MOD Set 3.3: A 77 TYR OH : rot -40:sc= -0.364 USER MOD Single : A 1 GLY N :NH3+ -107:sc= 0.0152 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0039 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0418 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -155:sc=-0.00328 (180deg=-0.714) USER MOD Single : A 16 THR OG1 : rot 180:sc=-0.00644 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -177:sc= -0.653 (180deg=-0.728) USER MOD Single : A 33 TYR OH : rot -132:sc= 0.302 USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.278 X(o=-0.28,f=-0.21) USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -165:sc= -0.0172 (180deg=-0.197) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot 174:sc= -1.15 USER MOD Single : A 48 THR OG1 : rot 69:sc= 1.24 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 87:sc= 0.0155 USER MOD Single : A 55 LYS NZ :NH3+ 145:sc= -0.78 (180deg=-2.27!) USER MOD Single : A 57 GLN :FLIP amide:sc= -2.59! C(o=-5.4!,f=-2.6!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= -0.77 (180deg=-0.77) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 144:sc= -0.638 (180deg=-3.13!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0.916 K(o=0.92,f=-3.8!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.472 K(o=-0.47,f=-3!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -71:sc= 0.922 USER MOD Single : A 90 SER OG : rot -68:sc= 1.11 USER MOD Single : A 93 LYS NZ :NH3+ -126:sc= -1.4 (180deg=-4.7!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= -0.765 K(o=-0.77,f=-4.1!) USER MOD Single : A 110 SER OG : rot -83:sc= 0.988 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 HIS :FLIP no HD1:sc= -5.13! C(o=-7.7!,f=-5.1!) USER MOD Single : A 118 THR OG1 : rot -61:sc= 0.0933 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ -157:sc= -0.0533 (180deg=-0.743) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 180:sc=-0.00039 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.053 -4.798 -25.036 1.00 0.00 N ATOM 2 CA GLY A 1 10.259 -4.784 -24.229 1.00 0.00 C ATOM 3 C GLY A 1 9.964 -4.660 -22.747 1.00 0.00 C ATOM 4 O GLY A 1 9.016 -3.982 -22.351 1.00 0.00 O ATOM 0 H1 GLY A 1 8.887 -5.760 -25.395 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.243 -4.501 -24.455 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.163 -4.144 -25.837 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.823 -5.699 -24.409 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.892 -3.953 -24.541 1.00 0.00 H new ATOM 8 N SER A 2 10.777 -5.318 -21.926 1.00 0.00 N ATOM 9 CA SER A 2 10.595 -5.283 -20.480 1.00 0.00 C ATOM 10 C SER A 2 11.141 -3.984 -19.895 1.00 0.00 C ATOM 11 O SER A 2 10.476 -3.320 -19.100 1.00 0.00 O ATOM 12 CB SER A 2 11.289 -6.480 -19.828 1.00 0.00 C ATOM 13 OG SER A 2 12.641 -6.573 -20.241 1.00 0.00 O ATOM 0 H SER A 2 11.568 -5.882 -22.238 1.00 0.00 H new ATOM 0 HA SER A 2 9.526 -5.334 -20.272 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.243 -6.385 -18.743 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.762 -7.397 -20.090 1.00 0.00 H new ATOM 0 HG SER A 2 13.063 -7.345 -19.809 1.00 0.00 H new ATOM 19 N SER A 3 12.358 -3.628 -20.295 1.00 0.00 N ATOM 20 CA SER A 3 12.997 -2.411 -19.808 1.00 0.00 C ATOM 21 C SER A 3 11.990 -1.269 -19.714 1.00 0.00 C ATOM 22 O SER A 3 11.195 -1.050 -20.628 1.00 0.00 O ATOM 23 CB SER A 3 14.152 -2.013 -20.729 1.00 0.00 C ATOM 24 OG SER A 3 13.672 -1.564 -21.984 1.00 0.00 O ATOM 0 H SER A 3 12.921 -4.165 -20.955 1.00 0.00 H new ATOM 0 HA SER A 3 13.389 -2.610 -18.810 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.741 -1.226 -20.259 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.816 -2.865 -20.874 1.00 0.00 H new ATOM 0 HG SER A 3 14.429 -1.314 -22.554 1.00 0.00 H new ATOM 30 N GLY A 4 12.029 -0.543 -18.601 1.00 0.00 N ATOM 31 CA GLY A 4 11.116 0.568 -18.407 1.00 0.00 C ATOM 32 C GLY A 4 11.349 1.288 -17.093 1.00 0.00 C ATOM 33 O GLY A 4 11.223 0.696 -16.022 1.00 0.00 O ATOM 0 H GLY A 4 12.677 -0.705 -17.830 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.228 1.274 -19.230 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.090 0.201 -18.440 1.00 0.00 H new ATOM 37 N SER A 5 11.693 2.569 -17.176 1.00 0.00 N ATOM 38 CA SER A 5 11.951 3.370 -15.985 1.00 0.00 C ATOM 39 C SER A 5 10.886 4.450 -15.815 1.00 0.00 C ATOM 40 O SER A 5 10.227 4.530 -14.779 1.00 0.00 O ATOM 41 CB SER A 5 13.337 4.012 -16.066 1.00 0.00 C ATOM 42 OG SER A 5 13.504 4.710 -17.288 1.00 0.00 O ATOM 0 H SER A 5 11.800 3.075 -18.055 1.00 0.00 H new ATOM 0 HA SER A 5 11.915 2.710 -15.119 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.473 4.698 -15.230 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.104 3.243 -15.975 1.00 0.00 H new ATOM 0 HG SER A 5 14.397 5.113 -17.315 1.00 0.00 H new ATOM 48 N SER A 6 10.725 5.279 -16.842 1.00 0.00 N ATOM 49 CA SER A 6 9.744 6.357 -16.806 1.00 0.00 C ATOM 50 C SER A 6 8.456 5.898 -16.128 1.00 0.00 C ATOM 51 O SER A 6 7.738 5.045 -16.647 1.00 0.00 O ATOM 52 CB SER A 6 9.440 6.846 -18.224 1.00 0.00 C ATOM 53 OG SER A 6 8.508 7.913 -18.207 1.00 0.00 O ATOM 0 H SER A 6 11.261 5.225 -17.708 1.00 0.00 H new ATOM 0 HA SER A 6 10.166 7.179 -16.228 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.362 7.172 -18.705 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.044 6.023 -18.819 1.00 0.00 H new ATOM 0 HG SER A 6 8.332 8.208 -19.125 1.00 0.00 H new ATOM 59 N GLY A 7 8.172 6.471 -14.962 1.00 0.00 N ATOM 60 CA GLY A 7 6.972 6.109 -14.231 1.00 0.00 C ATOM 61 C GLY A 7 6.902 4.625 -13.931 1.00 0.00 C ATOM 62 O GLY A 7 6.125 3.884 -14.533 1.00 0.00 O ATOM 0 H GLY A 7 8.751 7.179 -14.511 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.938 6.668 -13.296 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.096 6.401 -14.809 1.00 0.00 H new ATOM 66 N PRO A 8 7.730 4.170 -12.979 1.00 0.00 N ATOM 67 CA PRO A 8 7.778 2.760 -12.580 1.00 0.00 C ATOM 68 C PRO A 8 6.522 2.326 -11.832 1.00 0.00 C ATOM 69 O PRO A 8 5.974 1.255 -12.088 1.00 0.00 O ATOM 70 CB PRO A 8 8.999 2.694 -11.659 1.00 0.00 C ATOM 71 CG PRO A 8 9.145 4.076 -11.123 1.00 0.00 C ATOM 72 CD PRO A 8 8.683 4.996 -12.220 1.00 0.00 C ATOM 0 HA PRO A 8 7.840 2.094 -13.441 1.00 0.00 H new ATOM 0 HB2 PRO A 8 8.851 1.972 -10.856 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.890 2.385 -12.205 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.546 4.211 -10.222 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.180 4.282 -10.851 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.208 5.892 -11.820 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.514 5.327 -12.844 1.00 0.00 H new ATOM 80 N VAL A 9 6.071 3.166 -10.905 1.00 0.00 N ATOM 81 CA VAL A 9 4.879 2.870 -10.120 1.00 0.00 C ATOM 82 C VAL A 9 3.623 2.937 -10.982 1.00 0.00 C ATOM 83 O VAL A 9 3.309 3.977 -11.563 1.00 0.00 O ATOM 84 CB VAL A 9 4.729 3.846 -8.938 1.00 0.00 C ATOM 85 CG1 VAL A 9 3.522 3.475 -8.090 1.00 0.00 C ATOM 86 CG2 VAL A 9 5.997 3.862 -8.097 1.00 0.00 C ATOM 0 H VAL A 9 6.514 4.057 -10.680 1.00 0.00 H new ATOM 0 HA VAL A 9 4.998 1.858 -9.733 1.00 0.00 H new ATOM 0 HB VAL A 9 4.570 4.849 -9.334 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.432 4.175 -7.260 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.621 3.519 -8.701 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.648 2.465 -7.701 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.874 4.557 -7.266 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.188 2.862 -7.708 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.838 4.179 -8.713 1.00 0.00 H new ATOM 96 N LYS A 10 2.906 1.821 -11.062 1.00 0.00 N ATOM 97 CA LYS A 10 1.683 1.752 -11.852 1.00 0.00 C ATOM 98 C LYS A 10 0.530 2.444 -11.131 1.00 0.00 C ATOM 99 O LYS A 10 0.407 2.356 -9.909 1.00 0.00 O ATOM 100 CB LYS A 10 1.317 0.293 -12.137 1.00 0.00 C ATOM 101 CG LYS A 10 -0.085 0.115 -12.693 1.00 0.00 C ATOM 102 CD LYS A 10 -0.263 -1.255 -13.326 1.00 0.00 C ATOM 103 CE LYS A 10 -1.460 -1.283 -14.265 1.00 0.00 C ATOM 104 NZ LYS A 10 -1.834 -2.673 -14.645 1.00 0.00 N ATOM 0 H LYS A 10 3.151 0.951 -10.589 1.00 0.00 H new ATOM 0 HA LYS A 10 1.860 2.267 -12.796 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.035 -0.121 -12.845 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.409 -0.283 -11.216 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.814 0.245 -11.893 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.284 0.888 -13.435 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.639 -1.523 -13.876 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.394 -2.004 -12.545 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.309 -0.797 -13.785 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.230 -0.710 -15.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.653 -2.649 -15.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.032 -3.129 -15.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.078 -3.213 -13.790 1.00 0.00 H new ATOM 118 N VAL A 11 -0.313 3.131 -11.895 1.00 0.00 N ATOM 119 CA VAL A 11 -1.457 3.836 -11.330 1.00 0.00 C ATOM 120 C VAL A 11 -2.737 3.025 -11.494 1.00 0.00 C ATOM 121 O VAL A 11 -3.024 2.508 -12.574 1.00 0.00 O ATOM 122 CB VAL A 11 -1.647 5.216 -11.988 1.00 0.00 C ATOM 123 CG1 VAL A 11 -0.304 5.810 -12.381 1.00 0.00 C ATOM 124 CG2 VAL A 11 -2.565 5.107 -13.197 1.00 0.00 C ATOM 0 H VAL A 11 -0.225 3.214 -12.908 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.252 3.974 -10.268 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.114 5.883 -11.264 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.459 6.785 -12.844 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.317 5.925 -11.493 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.194 5.147 -13.089 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.689 6.091 -13.650 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.128 4.424 -13.926 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.537 4.728 -12.883 1.00 0.00 H new ATOM 134 N VAL A 12 -3.506 2.919 -10.415 1.00 0.00 N ATOM 135 CA VAL A 12 -4.758 2.172 -10.439 1.00 0.00 C ATOM 136 C VAL A 12 -5.945 3.079 -10.132 1.00 0.00 C ATOM 137 O VAL A 12 -5.823 4.045 -9.379 1.00 0.00 O ATOM 138 CB VAL A 12 -4.739 1.011 -9.427 1.00 0.00 C ATOM 139 CG1 VAL A 12 -6.053 0.246 -9.467 1.00 0.00 C ATOM 140 CG2 VAL A 12 -3.564 0.085 -9.702 1.00 0.00 C ATOM 0 H VAL A 12 -3.284 3.341 -9.513 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.865 1.766 -11.445 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.619 1.426 -8.426 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.021 -0.570 -8.745 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.873 0.919 -9.217 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.208 -0.159 -10.467 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.566 -0.730 -8.978 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.651 -0.324 -10.709 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.632 0.644 -9.617 1.00 0.00 H new ATOM 150 N VAL A 13 -7.093 2.762 -10.721 1.00 0.00 N ATOM 151 CA VAL A 13 -8.304 3.547 -10.510 1.00 0.00 C ATOM 152 C VAL A 13 -9.449 2.670 -10.017 1.00 0.00 C ATOM 153 O VAL A 13 -9.335 1.445 -9.980 1.00 0.00 O ATOM 154 CB VAL A 13 -8.740 4.263 -11.802 1.00 0.00 C ATOM 155 CG1 VAL A 13 -7.912 5.521 -12.021 1.00 0.00 C ATOM 156 CG2 VAL A 13 -8.627 3.326 -12.995 1.00 0.00 C ATOM 0 H VAL A 13 -7.210 1.967 -11.349 1.00 0.00 H new ATOM 0 HA VAL A 13 -8.069 4.293 -9.751 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.784 4.558 -11.699 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.234 6.014 -12.938 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.049 6.198 -11.178 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.859 5.253 -12.104 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.939 3.849 -13.899 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.593 2.999 -13.104 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.268 2.458 -12.838 1.00 0.00 H new ATOM 166 N GLY A 14 -10.553 3.305 -9.638 1.00 0.00 N ATOM 167 CA GLY A 14 -11.705 2.567 -9.152 1.00 0.00 C ATOM 168 C GLY A 14 -12.304 1.664 -10.212 1.00 0.00 C ATOM 169 O GLY A 14 -13.007 0.704 -9.896 1.00 0.00 O ATOM 0 H GLY A 14 -10.671 4.318 -9.659 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.411 1.966 -8.291 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.463 3.270 -8.807 1.00 0.00 H new ATOM 173 N LYS A 15 -12.027 1.971 -11.475 1.00 0.00 N ATOM 174 CA LYS A 15 -12.543 1.181 -12.586 1.00 0.00 C ATOM 175 C LYS A 15 -11.685 -0.058 -12.818 1.00 0.00 C ATOM 176 O LYS A 15 -12.169 -1.080 -13.306 1.00 0.00 O ATOM 177 CB LYS A 15 -12.592 2.027 -13.861 1.00 0.00 C ATOM 178 CG LYS A 15 -11.257 2.653 -14.226 1.00 0.00 C ATOM 179 CD LYS A 15 -11.342 3.425 -15.532 1.00 0.00 C ATOM 180 CE LYS A 15 -11.658 4.894 -15.291 1.00 0.00 C ATOM 181 NZ LYS A 15 -13.119 5.128 -15.127 1.00 0.00 N ATOM 0 H LYS A 15 -11.447 2.762 -11.754 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.553 0.859 -12.332 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.930 1.403 -14.688 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -13.332 2.817 -13.735 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.937 3.322 -13.427 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.500 1.874 -14.312 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.398 3.338 -16.069 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -12.112 2.985 -16.167 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.133 5.237 -14.399 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.287 5.487 -16.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -13.344 6.110 -15.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.646 4.478 -15.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -13.389 4.960 -14.137 1.00 0.00 H new ATOM 195 N THR A 16 -10.407 0.037 -12.462 1.00 0.00 N ATOM 196 CA THR A 16 -9.481 -1.075 -12.631 1.00 0.00 C ATOM 197 C THR A 16 -8.830 -1.455 -11.306 1.00 0.00 C ATOM 198 O THR A 16 -7.770 -2.080 -11.281 1.00 0.00 O ATOM 199 CB THR A 16 -8.380 -0.740 -13.654 1.00 0.00 C ATOM 200 OG1 THR A 16 -7.365 0.060 -13.036 1.00 0.00 O ATOM 201 CG2 THR A 16 -8.959 0.001 -14.850 1.00 0.00 C ATOM 0 H THR A 16 -9.990 0.874 -12.054 1.00 0.00 H new ATOM 0 HA THR A 16 -10.065 -1.918 -13.001 1.00 0.00 H new ATOM 0 HB THR A 16 -7.943 -1.675 -14.004 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.667 0.268 -13.692 1.00 0.00 H new ATOM 0 HG21 THR A 16 -8.162 0.227 -15.559 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.710 -0.622 -15.335 1.00 0.00 H new ATOM 0 HG23 THR A 16 -9.420 0.930 -14.514 1.00 0.00 H new ATOM 209 N PHE A 17 -9.472 -1.074 -10.207 1.00 0.00 N ATOM 210 CA PHE A 17 -8.954 -1.375 -8.877 1.00 0.00 C ATOM 211 C PHE A 17 -9.191 -2.839 -8.519 1.00 0.00 C ATOM 212 O PHE A 17 -8.266 -3.552 -8.130 1.00 0.00 O ATOM 213 CB PHE A 17 -9.613 -0.470 -7.833 1.00 0.00 C ATOM 214 CG PHE A 17 -9.302 -0.863 -6.417 1.00 0.00 C ATOM 215 CD1 PHE A 17 -9.901 -1.973 -5.845 1.00 0.00 C ATOM 216 CD2 PHE A 17 -8.412 -0.120 -5.658 1.00 0.00 C ATOM 217 CE1 PHE A 17 -9.616 -2.338 -4.542 1.00 0.00 C ATOM 218 CE2 PHE A 17 -8.123 -0.480 -4.355 1.00 0.00 C ATOM 219 CZ PHE A 17 -8.727 -1.589 -3.796 1.00 0.00 C ATOM 0 H PHE A 17 -10.351 -0.557 -10.211 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.880 -1.190 -8.883 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.287 0.557 -7.997 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -10.693 -0.488 -7.978 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.599 -2.560 -6.423 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -7.939 0.750 -6.089 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -10.088 -3.207 -4.108 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.425 0.106 -3.775 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.505 -1.870 -2.777 1.00 0.00 H new ATOM 229 N ASP A 18 -10.437 -3.280 -8.653 1.00 0.00 N ATOM 230 CA ASP A 18 -10.797 -4.659 -8.345 1.00 0.00 C ATOM 231 C ASP A 18 -10.156 -5.623 -9.338 1.00 0.00 C ATOM 232 O ASP A 18 -10.236 -6.841 -9.177 1.00 0.00 O ATOM 233 CB ASP A 18 -12.317 -4.828 -8.360 1.00 0.00 C ATOM 234 CG ASP A 18 -12.957 -4.428 -7.046 1.00 0.00 C ATOM 235 OD1 ASP A 18 -12.536 -4.957 -5.996 1.00 0.00 O ATOM 236 OD2 ASP A 18 -13.880 -3.586 -7.066 1.00 0.00 O ATOM 0 H ASP A 18 -11.215 -2.703 -8.973 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.423 -4.891 -7.348 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -12.739 -4.225 -9.164 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -12.562 -5.867 -8.578 1.00 0.00 H new ATOM 241 N ALA A 19 -9.521 -5.070 -10.367 1.00 0.00 N ATOM 242 CA ALA A 19 -8.866 -5.880 -11.386 1.00 0.00 C ATOM 243 C ALA A 19 -7.369 -5.993 -11.119 1.00 0.00 C ATOM 244 O ALA A 19 -6.784 -7.067 -11.256 1.00 0.00 O ATOM 245 CB ALA A 19 -9.115 -5.294 -12.767 1.00 0.00 C ATOM 0 H ALA A 19 -9.447 -4.064 -10.516 1.00 0.00 H new ATOM 0 HA ALA A 19 -9.292 -6.883 -11.347 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.620 -5.909 -13.518 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.187 -5.272 -12.965 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.717 -4.280 -12.809 1.00 0.00 H new ATOM 251 N ILE A 20 -6.755 -4.878 -10.738 1.00 0.00 N ATOM 252 CA ILE A 20 -5.326 -4.852 -10.451 1.00 0.00 C ATOM 253 C ILE A 20 -5.062 -5.011 -8.958 1.00 0.00 C ATOM 254 O ILE A 20 -4.541 -6.034 -8.514 1.00 0.00 O ATOM 255 CB ILE A 20 -4.677 -3.544 -10.940 1.00 0.00 C ATOM 256 CG1 ILE A 20 -4.804 -3.423 -12.460 1.00 0.00 C ATOM 257 CG2 ILE A 20 -3.216 -3.488 -10.518 1.00 0.00 C ATOM 258 CD1 ILE A 20 -4.572 -2.020 -12.976 1.00 0.00 C ATOM 0 H ILE A 20 -7.225 -3.980 -10.621 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.881 -5.691 -10.987 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.199 -2.703 -10.483 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.089 -4.098 -12.931 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.799 -3.752 -12.761 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.771 -2.558 -10.871 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.149 -3.533 -9.431 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.680 -4.333 -10.950 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.678 -2.009 -14.061 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.303 -1.344 -12.533 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.567 -1.695 -12.706 1.00 0.00 H new ATOM 270 N VAL A 21 -5.427 -3.992 -8.186 1.00 0.00 N ATOM 271 CA VAL A 21 -5.232 -4.019 -6.742 1.00 0.00 C ATOM 272 C VAL A 21 -5.825 -5.284 -6.131 1.00 0.00 C ATOM 273 O VAL A 21 -5.427 -5.706 -5.045 1.00 0.00 O ATOM 274 CB VAL A 21 -5.869 -2.789 -6.066 1.00 0.00 C ATOM 275 CG1 VAL A 21 -5.606 -2.807 -4.568 1.00 0.00 C ATOM 276 CG2 VAL A 21 -5.344 -1.506 -6.693 1.00 0.00 C ATOM 0 H VAL A 21 -5.859 -3.138 -8.537 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.156 -4.004 -6.568 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.947 -2.828 -6.221 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.063 -1.931 -4.108 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.035 -3.710 -4.134 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.531 -2.793 -4.387 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.804 -0.647 -6.204 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.262 -1.457 -6.570 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.589 -1.493 -7.755 1.00 0.00 H new ATOM 286 N MET A 22 -6.777 -5.885 -6.836 1.00 0.00 N ATOM 287 CA MET A 22 -7.424 -7.104 -6.364 1.00 0.00 C ATOM 288 C MET A 22 -7.128 -8.273 -7.298 1.00 0.00 C ATOM 289 O MET A 22 -7.985 -9.125 -7.530 1.00 0.00 O ATOM 290 CB MET A 22 -8.935 -6.894 -6.252 1.00 0.00 C ATOM 291 CG MET A 22 -9.330 -5.857 -5.213 1.00 0.00 C ATOM 292 SD MET A 22 -8.928 -6.370 -3.532 1.00 0.00 S ATOM 293 CE MET A 22 -8.303 -4.837 -2.850 1.00 0.00 C ATOM 0 H MET A 22 -7.118 -5.548 -7.736 1.00 0.00 H new ATOM 0 HA MET A 22 -7.024 -7.340 -5.378 1.00 0.00 H new ATOM 0 HB2 MET A 22 -9.324 -6.589 -7.224 1.00 0.00 H new ATOM 0 HB3 MET A 22 -9.408 -7.844 -6.003 1.00 0.00 H new ATOM 0 HG2 MET A 22 -8.824 -4.917 -5.433 1.00 0.00 H new ATOM 0 HG3 MET A 22 -10.401 -5.666 -5.284 1.00 0.00 H new ATOM 0 HE1 MET A 22 -7.430 -5.043 -2.231 1.00 0.00 H new ATOM 0 HE2 MET A 22 -8.022 -4.165 -3.661 1.00 0.00 H new ATOM 0 HE3 MET A 22 -9.076 -4.368 -2.241 1.00 0.00 H new ATOM 303 N ASP A 23 -5.911 -8.306 -7.830 1.00 0.00 N ATOM 304 CA ASP A 23 -5.503 -9.371 -8.738 1.00 0.00 C ATOM 305 C ASP A 23 -4.940 -10.560 -7.964 1.00 0.00 C ATOM 306 O ASP A 23 -3.850 -10.502 -7.396 1.00 0.00 O ATOM 307 CB ASP A 23 -4.460 -8.853 -9.730 1.00 0.00 C ATOM 308 CG ASP A 23 -4.596 -9.492 -11.098 1.00 0.00 C ATOM 309 OD1 ASP A 23 -4.078 -10.613 -11.283 1.00 0.00 O ATOM 310 OD2 ASP A 23 -5.219 -8.870 -11.984 1.00 0.00 O ATOM 0 H ASP A 23 -5.190 -7.608 -7.648 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.384 -9.703 -9.288 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.559 -7.772 -9.826 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.462 -9.048 -9.338 1.00 0.00 H new ATOM 315 N PRO A 24 -5.702 -11.664 -7.938 1.00 0.00 N ATOM 316 CA PRO A 24 -5.300 -12.886 -7.236 1.00 0.00 C ATOM 317 C PRO A 24 -4.131 -13.589 -7.919 1.00 0.00 C ATOM 318 O PRO A 24 -3.720 -14.674 -7.508 1.00 0.00 O ATOM 319 CB PRO A 24 -6.556 -13.758 -7.295 1.00 0.00 C ATOM 320 CG PRO A 24 -7.295 -13.277 -8.496 1.00 0.00 C ATOM 321 CD PRO A 24 -7.013 -11.804 -8.593 1.00 0.00 C ATOM 0 HA PRO A 24 -4.955 -12.679 -6.223 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.301 -14.814 -7.384 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -7.156 -13.650 -6.391 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.962 -13.798 -9.394 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.364 -13.464 -8.397 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.982 -11.468 -9.630 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.779 -11.214 -8.089 1.00 0.00 H new ATOM 329 N LYS A 25 -3.600 -12.964 -8.964 1.00 0.00 N ATOM 330 CA LYS A 25 -2.477 -13.527 -9.704 1.00 0.00 C ATOM 331 C LYS A 25 -1.149 -13.085 -9.098 1.00 0.00 C ATOM 332 O LYS A 25 -0.137 -13.775 -9.223 1.00 0.00 O ATOM 333 CB LYS A 25 -2.544 -13.106 -11.173 1.00 0.00 C ATOM 334 CG LYS A 25 -3.848 -13.483 -11.855 1.00 0.00 C ATOM 335 CD LYS A 25 -3.673 -13.620 -13.358 1.00 0.00 C ATOM 336 CE LYS A 25 -3.156 -15.000 -13.735 1.00 0.00 C ATOM 337 NZ LYS A 25 -4.255 -16.001 -13.817 1.00 0.00 N ATOM 0 H LYS A 25 -3.930 -12.066 -9.318 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.542 -14.613 -9.641 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.408 -12.027 -11.239 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.716 -13.566 -11.712 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.216 -14.423 -11.444 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.602 -12.725 -11.643 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.626 -13.439 -13.854 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.978 -12.860 -13.715 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.642 -14.946 -14.695 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.422 -15.326 -12.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.862 -16.928 -14.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.729 -16.072 -12.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.943 -15.703 -14.538 1.00 0.00 H new ATOM 351 N LYS A 26 -1.159 -11.931 -8.440 1.00 0.00 N ATOM 352 CA LYS A 26 0.043 -11.397 -7.811 1.00 0.00 C ATOM 353 C LYS A 26 -0.310 -10.323 -6.787 1.00 0.00 C ATOM 354 O LYS A 26 -1.259 -9.562 -6.973 1.00 0.00 O ATOM 355 CB LYS A 26 0.982 -10.816 -8.871 1.00 0.00 C ATOM 356 CG LYS A 26 0.314 -9.809 -9.790 1.00 0.00 C ATOM 357 CD LYS A 26 1.335 -8.911 -10.470 1.00 0.00 C ATOM 358 CE LYS A 26 1.942 -9.583 -11.691 1.00 0.00 C ATOM 359 NZ LYS A 26 2.798 -8.647 -12.471 1.00 0.00 N ATOM 0 H LYS A 26 -1.988 -11.347 -8.328 1.00 0.00 H new ATOM 0 HA LYS A 26 0.547 -12.214 -7.295 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.826 -10.337 -8.374 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.386 -11.631 -9.472 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.269 -10.336 -10.546 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.384 -9.199 -9.217 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.859 -7.976 -10.767 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.125 -8.656 -9.763 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.536 -10.441 -11.376 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.145 -9.964 -12.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.152 -9.128 -13.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.239 -7.816 -12.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.602 -8.342 -11.886 1.00 0.00 H new ATOM 373 N ASP A 27 0.461 -10.267 -5.706 1.00 0.00 N ATOM 374 CA ASP A 27 0.232 -9.284 -4.653 1.00 0.00 C ATOM 375 C ASP A 27 0.511 -7.872 -5.157 1.00 0.00 C ATOM 376 O ASP A 27 1.622 -7.565 -5.590 1.00 0.00 O ATOM 377 CB ASP A 27 1.112 -9.590 -3.440 1.00 0.00 C ATOM 378 CG ASP A 27 1.334 -11.077 -3.246 1.00 0.00 C ATOM 379 OD1 ASP A 27 0.565 -11.872 -3.826 1.00 0.00 O ATOM 380 OD2 ASP A 27 2.276 -11.446 -2.514 1.00 0.00 O ATOM 0 H ASP A 27 1.250 -10.891 -5.536 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.815 -9.343 -4.356 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.075 -9.094 -3.559 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.649 -9.175 -2.545 1.00 0.00 H new ATOM 385 N VAL A 28 -0.504 -7.017 -5.100 1.00 0.00 N ATOM 386 CA VAL A 28 -0.368 -5.637 -5.551 1.00 0.00 C ATOM 387 C VAL A 28 -0.406 -4.668 -4.374 1.00 0.00 C ATOM 388 O VAL A 28 -1.369 -4.644 -3.607 1.00 0.00 O ATOM 389 CB VAL A 28 -1.480 -5.260 -6.548 1.00 0.00 C ATOM 390 CG1 VAL A 28 -1.362 -3.797 -6.951 1.00 0.00 C ATOM 391 CG2 VAL A 28 -1.427 -6.164 -7.770 1.00 0.00 C ATOM 0 H VAL A 28 -1.430 -7.255 -4.746 1.00 0.00 H new ATOM 0 HA VAL A 28 0.598 -5.561 -6.050 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.445 -5.401 -6.061 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.156 -3.549 -7.656 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.452 -3.167 -6.066 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.393 -3.626 -7.421 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.219 -5.884 -8.464 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.460 -6.056 -8.261 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.564 -7.201 -7.462 1.00 0.00 H new ATOM 401 N LEU A 29 0.647 -3.870 -4.238 1.00 0.00 N ATOM 402 CA LEU A 29 0.735 -2.898 -3.154 1.00 0.00 C ATOM 403 C LEU A 29 0.165 -1.550 -3.584 1.00 0.00 C ATOM 404 O LEU A 29 0.810 -0.796 -4.312 1.00 0.00 O ATOM 405 CB LEU A 29 2.189 -2.730 -2.710 1.00 0.00 C ATOM 406 CG LEU A 29 2.415 -1.877 -1.461 1.00 0.00 C ATOM 407 CD1 LEU A 29 2.360 -2.739 -0.209 1.00 0.00 C ATOM 408 CD2 LEU A 29 3.747 -1.146 -1.548 1.00 0.00 C ATOM 0 H LEU A 29 1.452 -3.877 -4.865 1.00 0.00 H new ATOM 0 HA LEU A 29 0.146 -3.271 -2.316 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.610 -3.719 -2.531 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.751 -2.289 -3.533 1.00 0.00 H new ATOM 0 HG LEU A 29 1.619 -1.135 -1.403 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.523 -2.115 0.670 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.383 -3.217 -0.139 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.135 -3.504 -0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.891 -0.544 -0.651 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.556 -1.872 -1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.750 -0.498 -2.424 1.00 0.00 H new ATOM 420 N ILE A 30 -1.048 -1.254 -3.128 1.00 0.00 N ATOM 421 CA ILE A 30 -1.703 0.004 -3.463 1.00 0.00 C ATOM 422 C ILE A 30 -1.386 1.081 -2.431 1.00 0.00 C ATOM 423 O ILE A 30 -1.468 0.843 -1.226 1.00 0.00 O ATOM 424 CB ILE A 30 -3.231 -0.165 -3.558 1.00 0.00 C ATOM 425 CG1 ILE A 30 -3.884 1.144 -4.006 1.00 0.00 C ATOM 426 CG2 ILE A 30 -3.798 -0.616 -2.220 1.00 0.00 C ATOM 427 CD1 ILE A 30 -3.512 1.554 -5.414 1.00 0.00 C ATOM 0 H ILE A 30 -1.596 -1.868 -2.526 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.318 0.311 -4.435 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.452 -0.932 -4.301 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.967 1.041 -3.940 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.597 1.938 -3.317 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.879 -0.731 -2.303 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.352 -1.570 -1.939 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.570 0.130 -1.458 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.011 2.490 -5.664 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.432 1.689 -5.480 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.824 0.778 -6.113 1.00 0.00 H new ATOM 439 N GLU A 31 -1.025 2.266 -2.913 1.00 0.00 N ATOM 440 CA GLU A 31 -0.696 3.381 -2.031 1.00 0.00 C ATOM 441 C GLU A 31 -1.551 4.602 -2.357 1.00 0.00 C ATOM 442 O GLU A 31 -1.352 5.259 -3.379 1.00 0.00 O ATOM 443 CB GLU A 31 0.787 3.736 -2.153 1.00 0.00 C ATOM 444 CG GLU A 31 1.170 5.009 -1.417 1.00 0.00 C ATOM 445 CD GLU A 31 2.662 5.281 -1.460 1.00 0.00 C ATOM 446 OE1 GLU A 31 3.137 5.826 -2.478 1.00 0.00 O ATOM 447 OE2 GLU A 31 3.353 4.949 -0.474 1.00 0.00 O ATOM 0 H GLU A 31 -0.953 2.479 -3.908 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.906 3.075 -1.006 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.383 2.909 -1.766 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.040 3.846 -3.207 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.638 5.853 -1.857 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.848 4.935 -0.378 1.00 0.00 H new ATOM 454 N PHE A 32 -2.504 4.901 -1.480 1.00 0.00 N ATOM 455 CA PHE A 32 -3.391 6.042 -1.673 1.00 0.00 C ATOM 456 C PHE A 32 -2.672 7.350 -1.356 1.00 0.00 C ATOM 457 O PHE A 32 -2.418 7.665 -0.193 1.00 0.00 O ATOM 458 CB PHE A 32 -4.634 5.903 -0.792 1.00 0.00 C ATOM 459 CG PHE A 32 -5.248 4.533 -0.832 1.00 0.00 C ATOM 460 CD1 PHE A 32 -5.617 3.960 -2.038 1.00 0.00 C ATOM 461 CD2 PHE A 32 -5.457 3.819 0.337 1.00 0.00 C ATOM 462 CE1 PHE A 32 -6.182 2.699 -2.078 1.00 0.00 C ATOM 463 CE2 PHE A 32 -6.020 2.557 0.303 1.00 0.00 C ATOM 464 CZ PHE A 32 -6.384 1.997 -0.906 1.00 0.00 C ATOM 0 H PHE A 32 -2.682 4.368 -0.628 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.696 6.061 -2.719 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -4.368 6.143 0.237 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.377 6.635 -1.108 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.461 4.505 -2.958 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.177 4.253 1.285 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.465 2.263 -3.025 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.175 2.009 1.221 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.826 1.012 -0.935 1.00 0.00 H new ATOM 474 N TYR A 33 -2.347 8.106 -2.398 1.00 0.00 N ATOM 475 CA TYR A 33 -1.654 9.379 -2.232 1.00 0.00 C ATOM 476 C TYR A 33 -2.597 10.550 -2.488 1.00 0.00 C ATOM 477 O TYR A 33 -3.599 10.413 -3.191 1.00 0.00 O ATOM 478 CB TYR A 33 -0.456 9.458 -3.179 1.00 0.00 C ATOM 479 CG TYR A 33 -0.842 9.575 -4.636 1.00 0.00 C ATOM 480 CD1 TYR A 33 -1.108 10.813 -5.208 1.00 0.00 C ATOM 481 CD2 TYR A 33 -0.942 8.447 -5.442 1.00 0.00 C ATOM 482 CE1 TYR A 33 -1.462 10.925 -6.538 1.00 0.00 C ATOM 483 CE2 TYR A 33 -1.294 8.549 -6.774 1.00 0.00 C ATOM 484 CZ TYR A 33 -1.553 9.790 -7.317 1.00 0.00 C ATOM 485 OH TYR A 33 -1.906 9.896 -8.643 1.00 0.00 O ATOM 0 H TYR A 33 -2.552 7.860 -3.367 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.300 9.440 -1.203 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.157 10.316 -2.904 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.161 8.569 -3.046 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.037 11.704 -4.601 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.741 7.474 -5.019 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.666 11.895 -6.966 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.366 7.662 -7.386 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.611 9.247 -8.847 1.00 0.00 H new ATOM 495 N ALA A 34 -2.269 11.702 -1.913 1.00 0.00 N ATOM 496 CA ALA A 34 -3.085 12.899 -2.080 1.00 0.00 C ATOM 497 C ALA A 34 -2.282 14.024 -2.725 1.00 0.00 C ATOM 498 O ALA A 34 -1.203 14.394 -2.262 1.00 0.00 O ATOM 499 CB ALA A 34 -3.643 13.348 -0.738 1.00 0.00 C ATOM 0 H ALA A 34 -1.444 11.832 -1.327 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.915 12.654 -2.742 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.250 14.242 -0.877 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.259 12.554 -0.316 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.821 13.570 -0.058 1.00 0.00 H new ATOM 505 N PRO A 35 -2.819 14.582 -3.820 1.00 0.00 N ATOM 506 CA PRO A 35 -2.169 15.673 -4.552 1.00 0.00 C ATOM 507 C PRO A 35 -2.170 16.980 -3.766 1.00 0.00 C ATOM 508 O PRO A 35 -1.678 18.003 -4.243 1.00 0.00 O ATOM 509 CB PRO A 35 -3.021 15.809 -5.816 1.00 0.00 C ATOM 510 CG PRO A 35 -4.360 15.283 -5.429 1.00 0.00 C ATOM 511 CD PRO A 35 -4.102 14.192 -4.428 1.00 0.00 C ATOM 0 HA PRO A 35 -1.118 15.461 -4.750 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -3.083 16.847 -6.142 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -2.596 15.240 -6.643 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -4.979 16.070 -4.998 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -4.894 14.898 -6.298 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -4.897 14.133 -3.685 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.039 13.215 -4.906 1.00 0.00 H new ATOM 519 N TRP A 36 -2.724 16.939 -2.560 1.00 0.00 N ATOM 520 CA TRP A 36 -2.789 18.120 -1.707 1.00 0.00 C ATOM 521 C TRP A 36 -2.098 17.867 -0.372 1.00 0.00 C ATOM 522 O TRP A 36 -2.323 18.588 0.601 1.00 0.00 O ATOM 523 CB TRP A 36 -4.244 18.527 -1.473 1.00 0.00 C ATOM 524 CG TRP A 36 -5.162 17.360 -1.273 1.00 0.00 C ATOM 525 CD1 TRP A 36 -6.032 16.835 -2.186 1.00 0.00 C ATOM 526 CD2 TRP A 36 -5.303 16.574 -0.085 1.00 0.00 C ATOM 527 NE1 TRP A 36 -6.705 15.770 -1.637 1.00 0.00 N ATOM 528 CE2 TRP A 36 -6.275 15.589 -0.349 1.00 0.00 C ATOM 529 CE3 TRP A 36 -4.702 16.605 1.176 1.00 0.00 C ATOM 530 CZ2 TRP A 36 -6.658 14.647 0.602 1.00 0.00 C ATOM 531 CZ3 TRP A 36 -5.083 15.669 2.119 1.00 0.00 C ATOM 532 CH2 TRP A 36 -6.053 14.701 1.828 1.00 0.00 C ATOM 0 H TRP A 36 -3.135 16.100 -2.150 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.269 18.932 -2.215 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.296 19.175 -0.598 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.592 19.112 -2.325 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -6.171 17.203 -3.192 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.410 15.206 -2.111 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.953 17.347 1.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -7.406 13.900 0.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.625 15.684 3.097 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -6.329 13.983 2.586 1.00 0.00 H new ATOM 543 N CYS A 37 -1.256 16.840 -0.332 1.00 0.00 N ATOM 544 CA CYS A 37 -0.533 16.491 0.885 1.00 0.00 C ATOM 545 C CYS A 37 0.969 16.683 0.699 1.00 0.00 C ATOM 546 O CYS A 37 1.535 16.283 -0.317 1.00 0.00 O ATOM 547 CB CYS A 37 -0.828 15.044 1.283 1.00 0.00 C ATOM 548 SG CYS A 37 -0.131 14.560 2.879 1.00 0.00 S ATOM 0 H CYS A 37 -1.057 16.235 -1.129 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.871 17.155 1.681 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.908 14.899 1.312 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.438 14.380 0.512 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.436 13.321 3.128 1.00 0.00 H new ATOM 554 N GLY A 38 1.608 17.301 1.688 1.00 0.00 N ATOM 555 CA GLY A 38 3.038 17.537 1.613 1.00 0.00 C ATOM 556 C GLY A 38 3.846 16.267 1.794 1.00 0.00 C ATOM 557 O GLY A 38 4.838 16.049 1.096 1.00 0.00 O ATOM 0 H GLY A 38 1.161 17.642 2.539 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.279 17.983 0.648 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.325 18.258 2.378 1.00 0.00 H new ATOM 561 N HIS A 39 3.424 15.427 2.733 1.00 0.00 N ATOM 562 CA HIS A 39 4.116 14.172 3.004 1.00 0.00 C ATOM 563 C HIS A 39 4.235 13.333 1.736 1.00 0.00 C ATOM 564 O HIS A 39 5.113 12.475 1.627 1.00 0.00 O ATOM 565 CB HIS A 39 3.379 13.382 4.085 1.00 0.00 C ATOM 566 CG HIS A 39 2.938 14.221 5.245 1.00 0.00 C ATOM 567 ND1 HIS A 39 1.765 13.996 5.934 1.00 0.00 N ATOM 568 CD2 HIS A 39 3.522 15.289 5.837 1.00 0.00 C ATOM 569 CE1 HIS A 39 1.645 14.890 6.899 1.00 0.00 C ATOM 570 NE2 HIS A 39 2.698 15.686 6.862 1.00 0.00 N ATOM 0 H HIS A 39 2.606 15.592 3.319 1.00 0.00 H new ATOM 0 HA HIS A 39 5.120 14.408 3.358 1.00 0.00 H new ATOM 0 HB2 HIS A 39 2.506 12.902 3.642 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.029 12.587 4.449 1.00 0.00 H new ATOM 0 HD2 HIS A 39 4.460 15.744 5.556 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.825 14.958 7.599 1.00 0.00 H new ATOM 0 HE2 HIS A 39 2.871 16.469 7.492 1.00 0.00 H new ATOM 579 N CYS A 40 3.348 13.585 0.780 1.00 0.00 N ATOM 580 CA CYS A 40 3.353 12.851 -0.481 1.00 0.00 C ATOM 581 C CYS A 40 4.522 13.285 -1.358 1.00 0.00 C ATOM 582 O CYS A 40 5.155 12.463 -2.020 1.00 0.00 O ATOM 583 CB CYS A 40 2.034 13.065 -1.224 1.00 0.00 C ATOM 584 SG CYS A 40 2.138 12.786 -3.008 1.00 0.00 S ATOM 0 H CYS A 40 2.616 14.292 0.854 1.00 0.00 H new ATOM 0 HA CYS A 40 3.467 11.791 -0.256 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.281 12.397 -0.806 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.690 14.084 -1.046 1.00 0.00 H new ATOM 0 HG CYS A 40 0.973 12.989 -3.548 1.00 0.00 H new ATOM 590 N LYS A 41 4.802 14.584 -1.361 1.00 0.00 N ATOM 591 CA LYS A 41 5.895 15.130 -2.157 1.00 0.00 C ATOM 592 C LYS A 41 7.229 14.518 -1.742 1.00 0.00 C ATOM 593 O LYS A 41 8.065 14.199 -2.587 1.00 0.00 O ATOM 594 CB LYS A 41 5.951 16.652 -2.008 1.00 0.00 C ATOM 595 CG LYS A 41 4.638 17.344 -2.329 1.00 0.00 C ATOM 596 CD LYS A 41 4.853 18.797 -2.718 1.00 0.00 C ATOM 597 CE LYS A 41 3.562 19.443 -3.195 1.00 0.00 C ATOM 598 NZ LYS A 41 3.097 18.866 -4.486 1.00 0.00 N ATOM 0 H LYS A 41 4.287 15.279 -0.821 1.00 0.00 H new ATOM 0 HA LYS A 41 5.710 14.880 -3.202 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.241 16.898 -0.987 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.728 17.044 -2.664 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.139 16.819 -3.143 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.977 17.292 -1.464 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.243 19.350 -1.863 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.604 18.857 -3.506 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.789 19.310 -2.439 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.714 20.516 -3.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.375 19.487 -4.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.902 18.783 -5.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.689 17.924 -4.318 1.00 0.00 H new ATOM 612 N GLN A 42 7.420 14.356 -0.437 1.00 0.00 N ATOM 613 CA GLN A 42 8.653 13.782 0.089 1.00 0.00 C ATOM 614 C GLN A 42 8.692 12.275 -0.141 1.00 0.00 C ATOM 615 O GLN A 42 9.761 11.693 -0.335 1.00 0.00 O ATOM 616 CB GLN A 42 8.786 14.086 1.582 1.00 0.00 C ATOM 617 CG GLN A 42 7.946 13.177 2.465 1.00 0.00 C ATOM 618 CD GLN A 42 8.367 13.227 3.921 1.00 0.00 C ATOM 619 OE1 GLN A 42 8.463 14.301 4.515 1.00 0.00 O ATOM 620 NE2 GLN A 42 8.619 12.061 4.504 1.00 0.00 N ATOM 0 H GLN A 42 6.737 14.614 0.275 1.00 0.00 H new ATOM 0 HA GLN A 42 9.491 14.234 -0.442 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.833 13.994 1.871 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.496 15.121 1.761 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.898 13.465 2.384 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.024 12.152 2.103 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.527 11.195 3.973 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.905 12.031 5.483 1.00 0.00 H new ATOM 629 N LEU A 43 7.522 11.647 -0.117 1.00 0.00 N ATOM 630 CA LEU A 43 7.422 10.206 -0.322 1.00 0.00 C ATOM 631 C LEU A 43 7.408 9.868 -1.810 1.00 0.00 C ATOM 632 O LEU A 43 7.640 8.723 -2.197 1.00 0.00 O ATOM 633 CB LEU A 43 6.159 9.662 0.348 1.00 0.00 C ATOM 634 CG LEU A 43 5.874 8.175 0.135 1.00 0.00 C ATOM 635 CD1 LEU A 43 6.928 7.325 0.827 1.00 0.00 C ATOM 636 CD2 LEU A 43 4.484 7.820 0.642 1.00 0.00 C ATOM 0 H LEU A 43 6.629 12.113 0.042 1.00 0.00 H new ATOM 0 HA LEU A 43 8.296 9.738 0.130 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.232 9.848 1.420 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.304 10.231 -0.017 1.00 0.00 H new ATOM 0 HG LEU A 43 5.913 7.967 -0.934 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.709 6.270 0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.911 7.559 0.417 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.921 7.536 1.896 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.299 6.758 0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.417 8.044 1.707 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.739 8.404 0.101 1.00 0.00 H new ATOM 648 N GLU A 44 7.136 10.872 -2.637 1.00 0.00 N ATOM 649 CA GLU A 44 7.093 10.680 -4.082 1.00 0.00 C ATOM 650 C GLU A 44 8.290 9.861 -4.558 1.00 0.00 C ATOM 651 O GLU A 44 8.146 8.801 -5.167 1.00 0.00 O ATOM 652 CB GLU A 44 7.069 12.032 -4.798 1.00 0.00 C ATOM 653 CG GLU A 44 5.668 12.536 -5.102 1.00 0.00 C ATOM 654 CD GLU A 44 5.154 12.055 -6.445 1.00 0.00 C ATOM 655 OE1 GLU A 44 5.636 12.558 -7.480 1.00 0.00 O ATOM 656 OE2 GLU A 44 4.269 11.174 -6.459 1.00 0.00 O ATOM 0 H GLU A 44 6.942 11.826 -2.332 1.00 0.00 H new ATOM 0 HA GLU A 44 6.181 10.133 -4.323 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.585 12.769 -4.182 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.627 11.949 -5.731 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.988 12.204 -4.317 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.666 13.626 -5.086 1.00 0.00 H new ATOM 663 N PRO A 45 9.500 10.364 -4.274 1.00 0.00 N ATOM 664 CA PRO A 45 10.746 9.696 -4.663 1.00 0.00 C ATOM 665 C PRO A 45 10.986 8.413 -3.875 1.00 0.00 C ATOM 666 O PRO A 45 11.603 7.472 -4.377 1.00 0.00 O ATOM 667 CB PRO A 45 11.822 10.734 -4.335 1.00 0.00 C ATOM 668 CG PRO A 45 11.222 11.577 -3.264 1.00 0.00 C ATOM 669 CD PRO A 45 9.747 11.623 -3.551 1.00 0.00 C ATOM 0 HA PRO A 45 10.735 9.389 -5.709 1.00 0.00 H new ATOM 0 HB2 PRO A 45 12.741 10.257 -3.995 1.00 0.00 H new ATOM 0 HB3 PRO A 45 12.077 11.330 -5.211 1.00 0.00 H new ATOM 0 HG2 PRO A 45 11.415 11.152 -2.279 1.00 0.00 H new ATOM 0 HG3 PRO A 45 11.652 12.579 -3.269 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.161 11.681 -2.634 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.482 12.491 -4.154 1.00 0.00 H new ATOM 677 N ILE A 46 10.495 8.381 -2.641 1.00 0.00 N ATOM 678 CA ILE A 46 10.656 7.212 -1.785 1.00 0.00 C ATOM 679 C ILE A 46 9.873 6.021 -2.329 1.00 0.00 C ATOM 680 O ILE A 46 10.344 4.885 -2.290 1.00 0.00 O ATOM 681 CB ILE A 46 10.194 7.501 -0.345 1.00 0.00 C ATOM 682 CG1 ILE A 46 11.040 8.617 0.271 1.00 0.00 C ATOM 683 CG2 ILE A 46 10.277 6.239 0.501 1.00 0.00 C ATOM 684 CD1 ILE A 46 10.418 9.238 1.502 1.00 0.00 C ATOM 0 H ILE A 46 9.982 9.151 -2.211 1.00 0.00 H new ATOM 0 HA ILE A 46 11.719 6.972 -1.775 1.00 0.00 H new ATOM 0 HB ILE A 46 9.155 7.830 -0.372 1.00 0.00 H new ATOM 0 HG12 ILE A 46 12.020 8.217 0.531 1.00 0.00 H new ATOM 0 HG13 ILE A 46 11.201 9.394 -0.476 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.947 6.459 1.516 1.00 0.00 H new ATOM 0 HG22 ILE A 46 9.636 5.469 0.070 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.307 5.883 0.523 1.00 0.00 H new ATOM 0 HD11 ILE A 46 11.073 10.021 1.885 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.450 9.668 1.243 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.282 8.473 2.266 1.00 0.00 H new ATOM 696 N TYR A 47 8.675 6.290 -2.837 1.00 0.00 N ATOM 697 CA TYR A 47 7.826 5.241 -3.388 1.00 0.00 C ATOM 698 C TYR A 47 8.300 4.831 -4.779 1.00 0.00 C ATOM 699 O TYR A 47 8.301 3.649 -5.125 1.00 0.00 O ATOM 700 CB TYR A 47 6.372 5.714 -3.452 1.00 0.00 C ATOM 701 CG TYR A 47 5.365 4.591 -3.343 1.00 0.00 C ATOM 702 CD1 TYR A 47 5.320 3.779 -2.216 1.00 0.00 C ATOM 703 CD2 TYR A 47 4.458 4.343 -4.366 1.00 0.00 C ATOM 704 CE1 TYR A 47 4.402 2.752 -2.112 1.00 0.00 C ATOM 705 CE2 TYR A 47 3.536 3.319 -4.270 1.00 0.00 C ATOM 706 CZ TYR A 47 3.512 2.526 -3.142 1.00 0.00 C ATOM 707 OH TYR A 47 2.595 1.505 -3.041 1.00 0.00 O ATOM 0 H TYR A 47 8.270 7.225 -2.878 1.00 0.00 H new ATOM 0 HA TYR A 47 7.891 4.374 -2.731 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.195 6.429 -2.648 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.212 6.244 -4.391 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.015 3.954 -1.408 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.474 4.961 -5.251 1.00 0.00 H new ATOM 0 HE1 TYR A 47 4.381 2.130 -1.230 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.838 3.140 -5.074 1.00 0.00 H new ATOM 0 HH TYR A 47 1.980 1.541 -3.803 1.00 0.00 H new ATOM 717 N THR A 48 8.705 5.816 -5.574 1.00 0.00 N ATOM 718 CA THR A 48 9.182 5.560 -6.927 1.00 0.00 C ATOM 719 C THR A 48 10.190 4.417 -6.948 1.00 0.00 C ATOM 720 O THR A 48 9.982 3.405 -7.617 1.00 0.00 O ATOM 721 CB THR A 48 9.833 6.814 -7.540 1.00 0.00 C ATOM 722 OG1 THR A 48 8.870 7.870 -7.634 1.00 0.00 O ATOM 723 CG2 THR A 48 10.396 6.512 -8.920 1.00 0.00 C ATOM 0 H THR A 48 8.712 6.800 -5.304 1.00 0.00 H new ATOM 0 HA THR A 48 8.311 5.284 -7.522 1.00 0.00 H new ATOM 0 HB THR A 48 10.651 7.125 -6.891 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.645 8.188 -6.735 1.00 0.00 H new ATOM 0 HG21 THR A 48 10.851 7.413 -9.333 1.00 0.00 H new ATOM 0 HG22 THR A 48 11.150 5.728 -8.842 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.592 6.178 -9.576 1.00 0.00 H new ATOM 731 N SER A 49 11.283 4.584 -6.209 1.00 0.00 N ATOM 732 CA SER A 49 12.325 3.567 -6.145 1.00 0.00 C ATOM 733 C SER A 49 11.772 2.256 -5.595 1.00 0.00 C ATOM 734 O SER A 49 12.131 1.173 -6.060 1.00 0.00 O ATOM 735 CB SER A 49 13.486 4.050 -5.274 1.00 0.00 C ATOM 736 OG SER A 49 14.095 5.203 -5.828 1.00 0.00 O ATOM 0 H SER A 49 11.469 5.414 -5.647 1.00 0.00 H new ATOM 0 HA SER A 49 12.689 3.391 -7.157 1.00 0.00 H new ATOM 0 HB2 SER A 49 13.123 4.273 -4.271 1.00 0.00 H new ATOM 0 HB3 SER A 49 14.226 3.256 -5.176 1.00 0.00 H new ATOM 0 HG SER A 49 14.833 5.492 -5.251 1.00 0.00 H new ATOM 742 N LEU A 50 10.896 2.362 -4.601 1.00 0.00 N ATOM 743 CA LEU A 50 10.292 1.186 -3.986 1.00 0.00 C ATOM 744 C LEU A 50 9.554 0.346 -5.024 1.00 0.00 C ATOM 745 O LEU A 50 9.371 -0.858 -4.847 1.00 0.00 O ATOM 746 CB LEU A 50 9.328 1.606 -2.875 1.00 0.00 C ATOM 747 CG LEU A 50 8.808 0.482 -1.977 1.00 0.00 C ATOM 748 CD1 LEU A 50 9.838 0.125 -0.917 1.00 0.00 C ATOM 749 CD2 LEU A 50 7.491 0.884 -1.329 1.00 0.00 C ATOM 0 H LEU A 50 10.589 3.250 -4.204 1.00 0.00 H new ATOM 0 HA LEU A 50 11.090 0.581 -3.557 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.828 2.344 -2.247 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.473 2.104 -3.332 1.00 0.00 H new ATOM 0 HG LEU A 50 8.633 -0.399 -2.595 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.450 -0.676 -0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.758 -0.206 -1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.046 1.001 -0.302 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.136 0.073 -0.694 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.641 1.779 -0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.752 1.089 -2.104 1.00 0.00 H new ATOM 761 N GLY A 51 9.135 0.990 -6.109 1.00 0.00 N ATOM 762 CA GLY A 51 8.424 0.286 -7.160 1.00 0.00 C ATOM 763 C GLY A 51 9.342 -0.164 -8.279 1.00 0.00 C ATOM 764 O GLY A 51 9.433 -1.356 -8.577 1.00 0.00 O ATOM 0 H GLY A 51 9.275 1.986 -6.279 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.921 -0.583 -6.735 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.649 0.935 -7.568 1.00 0.00 H new ATOM 768 N LYS A 52 10.024 0.790 -8.903 1.00 0.00 N ATOM 769 CA LYS A 52 10.940 0.486 -9.997 1.00 0.00 C ATOM 770 C LYS A 52 11.921 -0.611 -9.596 1.00 0.00 C ATOM 771 O LYS A 52 12.441 -1.334 -10.446 1.00 0.00 O ATOM 772 CB LYS A 52 11.707 1.744 -10.411 1.00 0.00 C ATOM 773 CG LYS A 52 13.008 1.941 -9.653 1.00 0.00 C ATOM 774 CD LYS A 52 13.673 3.257 -10.018 1.00 0.00 C ATOM 775 CE LYS A 52 14.522 3.123 -11.273 1.00 0.00 C ATOM 776 NZ LYS A 52 15.835 2.478 -10.988 1.00 0.00 N ATOM 0 H LYS A 52 9.960 1.781 -8.670 1.00 0.00 H new ATOM 0 HA LYS A 52 10.351 0.131 -10.843 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.922 1.693 -11.478 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.070 2.615 -10.256 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.813 1.916 -8.581 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.686 1.117 -9.873 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.911 4.020 -10.173 1.00 0.00 H new ATOM 0 HD3 LYS A 52 14.297 3.593 -9.190 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.982 2.535 -12.016 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.688 4.109 -11.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 16.384 2.405 -11.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 16.361 3.052 -10.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.677 1.527 -10.598 1.00 0.00 H new ATOM 790 N LYS A 53 12.169 -0.731 -8.296 1.00 0.00 N ATOM 791 CA LYS A 53 13.085 -1.742 -7.782 1.00 0.00 C ATOM 792 C LYS A 53 12.363 -3.067 -7.558 1.00 0.00 C ATOM 793 O LYS A 53 12.904 -4.136 -7.842 1.00 0.00 O ATOM 794 CB LYS A 53 13.718 -1.266 -6.473 1.00 0.00 C ATOM 795 CG LYS A 53 12.880 -1.575 -5.244 1.00 0.00 C ATOM 796 CD LYS A 53 13.296 -0.723 -4.057 1.00 0.00 C ATOM 797 CE LYS A 53 14.735 -1.001 -3.648 1.00 0.00 C ATOM 798 NZ LYS A 53 14.834 -2.166 -2.727 1.00 0.00 N ATOM 0 H LYS A 53 11.748 -0.140 -7.579 1.00 0.00 H new ATOM 0 HA LYS A 53 13.869 -1.897 -8.523 1.00 0.00 H new ATOM 0 HB2 LYS A 53 14.697 -1.733 -6.362 1.00 0.00 H new ATOM 0 HB3 LYS A 53 13.883 -0.190 -6.529 1.00 0.00 H new ATOM 0 HG2 LYS A 53 11.827 -1.401 -5.467 1.00 0.00 H new ATOM 0 HG3 LYS A 53 12.981 -2.630 -4.989 1.00 0.00 H new ATOM 0 HD2 LYS A 53 13.185 0.332 -4.308 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.633 -0.921 -3.215 1.00 0.00 H new ATOM 0 HE2 LYS A 53 15.336 -1.189 -4.538 1.00 0.00 H new ATOM 0 HE3 LYS A 53 15.152 -0.118 -3.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 15.830 -2.323 -2.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 14.282 -1.976 -1.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 14.460 -3.014 -3.199 1.00 0.00 H new ATOM 812 N TYR A 54 11.139 -2.990 -7.049 1.00 0.00 N ATOM 813 CA TYR A 54 10.343 -4.183 -6.786 1.00 0.00 C ATOM 814 C TYR A 54 9.554 -4.595 -8.025 1.00 0.00 C ATOM 815 O TYR A 54 8.829 -5.590 -8.012 1.00 0.00 O ATOM 816 CB TYR A 54 9.388 -3.937 -5.617 1.00 0.00 C ATOM 817 CG TYR A 54 9.993 -4.242 -4.266 1.00 0.00 C ATOM 818 CD1 TYR A 54 10.711 -3.277 -3.570 1.00 0.00 C ATOM 819 CD2 TYR A 54 9.847 -5.495 -3.684 1.00 0.00 C ATOM 820 CE1 TYR A 54 11.266 -3.551 -2.336 1.00 0.00 C ATOM 821 CE2 TYR A 54 10.397 -5.778 -2.449 1.00 0.00 C ATOM 822 CZ TYR A 54 11.107 -4.803 -1.779 1.00 0.00 C ATOM 823 OH TYR A 54 11.657 -5.080 -0.549 1.00 0.00 O ATOM 0 H TYR A 54 10.676 -2.113 -6.810 1.00 0.00 H new ATOM 0 HA TYR A 54 11.024 -4.993 -6.525 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.066 -2.896 -5.635 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.496 -4.549 -5.753 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.837 -2.295 -4.002 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.294 -6.261 -4.206 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.822 -2.789 -1.809 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.272 -6.757 -2.010 1.00 0.00 H new ATOM 0 HH TYR A 54 11.027 -4.823 0.156 1.00 0.00 H new ATOM 833 N LYS A 55 9.702 -3.823 -9.096 1.00 0.00 N ATOM 834 CA LYS A 55 9.006 -4.106 -10.346 1.00 0.00 C ATOM 835 C LYS A 55 9.449 -5.447 -10.923 1.00 0.00 C ATOM 836 O LYS A 55 8.699 -6.100 -11.648 1.00 0.00 O ATOM 837 CB LYS A 55 9.265 -2.992 -11.362 1.00 0.00 C ATOM 838 CG LYS A 55 8.243 -1.869 -11.306 1.00 0.00 C ATOM 839 CD LYS A 55 7.030 -2.175 -12.168 1.00 0.00 C ATOM 840 CE LYS A 55 7.273 -1.807 -13.623 1.00 0.00 C ATOM 841 NZ LYS A 55 7.989 -2.887 -14.357 1.00 0.00 N ATOM 0 H LYS A 55 10.298 -2.996 -9.124 1.00 0.00 H new ATOM 0 HA LYS A 55 7.938 -4.155 -10.135 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.258 -2.577 -11.189 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.268 -3.420 -12.365 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.927 -1.714 -10.274 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.704 -0.940 -11.641 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.789 -3.236 -12.095 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.167 -1.625 -11.792 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.319 -1.607 -14.111 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.855 -0.887 -13.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.646 -2.926 -15.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.010 -2.690 -14.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.811 -3.800 -13.891 1.00 0.00 H new ATOM 855 N GLY A 56 10.672 -5.853 -10.596 1.00 0.00 N ATOM 856 CA GLY A 56 11.192 -7.115 -11.089 1.00 0.00 C ATOM 857 C GLY A 56 11.119 -8.218 -10.052 1.00 0.00 C ATOM 858 O GLY A 56 11.929 -9.144 -10.065 1.00 0.00 O ATOM 0 H GLY A 56 11.312 -5.330 -9.998 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.630 -7.415 -11.974 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.228 -6.981 -11.400 1.00 0.00 H new ATOM 862 N GLN A 57 10.148 -8.117 -9.150 1.00 0.00 N ATOM 863 CA GLN A 57 9.975 -9.113 -8.100 1.00 0.00 C ATOM 864 C GLN A 57 9.055 -10.238 -8.562 1.00 0.00 C ATOM 865 O GLN A 57 8.556 -10.224 -9.688 1.00 0.00 O ATOM 866 CB GLN A 57 9.408 -8.461 -6.838 1.00 0.00 C ATOM 867 CG GLN A 57 10.088 -8.919 -5.558 1.00 0.00 C ATOM 868 CD GLN A 57 9.366 -10.077 -4.896 1.00 0.00 C ATOM 869 OE1 GLN A 57 8.091 -9.878 -4.583 1.00 0.00 O flip ATOM 870 NE2 GLN A 57 9.948 -11.138 -4.668 1.00 0.00 N flip ATOM 0 H GLN A 57 9.470 -7.356 -9.126 1.00 0.00 H new ATOM 0 HA GLN A 57 10.953 -9.538 -7.873 1.00 0.00 H new ATOM 0 HB2 GLN A 57 9.505 -7.379 -6.924 1.00 0.00 H new ATOM 0 HB3 GLN A 57 8.343 -8.682 -6.772 1.00 0.00 H new ATOM 0 HG2 GLN A 57 11.113 -9.215 -5.781 1.00 0.00 H new ATOM 0 HG3 GLN A 57 10.142 -8.083 -4.861 1.00 0.00 H new ATOM 0 HE21 GLN A 57 10.929 -11.247 -4.926 1.00 0.00 H new ATOM 0 HE22 GLN A 57 9.449 -11.908 -4.222 1.00 0.00 H new ATOM 879 N LYS A 58 8.833 -11.212 -7.687 1.00 0.00 N ATOM 880 CA LYS A 58 7.972 -12.345 -8.004 1.00 0.00 C ATOM 881 C LYS A 58 6.509 -12.008 -7.738 1.00 0.00 C ATOM 882 O LYS A 58 6.114 -11.769 -6.597 1.00 0.00 O ATOM 883 CB LYS A 58 8.382 -13.569 -7.181 1.00 0.00 C ATOM 884 CG LYS A 58 7.948 -14.888 -7.796 1.00 0.00 C ATOM 885 CD LYS A 58 8.856 -15.293 -8.945 1.00 0.00 C ATOM 886 CE LYS A 58 10.153 -15.907 -8.441 1.00 0.00 C ATOM 887 NZ LYS A 58 9.916 -17.185 -7.714 1.00 0.00 N ATOM 0 H LYS A 58 9.238 -11.240 -6.751 1.00 0.00 H new ATOM 0 HA LYS A 58 8.087 -12.572 -9.064 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.466 -13.571 -7.064 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.954 -13.485 -6.182 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.956 -15.666 -7.033 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.922 -14.803 -8.154 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.338 -16.008 -9.585 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.080 -14.420 -9.558 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.821 -16.087 -9.283 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.656 -15.201 -7.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.824 -17.572 -7.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.299 -17.009 -6.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.459 -17.868 -8.352 1.00 0.00 H new ATOM 901 N ASP A 59 5.708 -11.991 -8.799 1.00 0.00 N ATOM 902 CA ASP A 59 4.287 -11.686 -8.679 1.00 0.00 C ATOM 903 C ASP A 59 4.063 -10.502 -7.743 1.00 0.00 C ATOM 904 O ASP A 59 3.290 -10.591 -6.787 1.00 0.00 O ATOM 905 CB ASP A 59 3.522 -12.908 -8.170 1.00 0.00 C ATOM 906 CG ASP A 59 4.241 -14.208 -8.471 1.00 0.00 C ATOM 907 OD1 ASP A 59 4.430 -14.519 -9.666 1.00 0.00 O ATOM 908 OD2 ASP A 59 4.615 -14.914 -7.512 1.00 0.00 O ATOM 0 H ASP A 59 6.019 -12.185 -9.751 1.00 0.00 H new ATOM 0 HA ASP A 59 3.913 -11.420 -9.668 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.375 -12.818 -7.094 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.532 -12.929 -8.626 1.00 0.00 H new ATOM 913 N LEU A 60 4.743 -9.396 -8.022 1.00 0.00 N ATOM 914 CA LEU A 60 4.619 -8.195 -7.204 1.00 0.00 C ATOM 915 C LEU A 60 4.660 -6.940 -8.070 1.00 0.00 C ATOM 916 O LEU A 60 5.576 -6.754 -8.870 1.00 0.00 O ATOM 917 CB LEU A 60 5.738 -8.146 -6.162 1.00 0.00 C ATOM 918 CG LEU A 60 5.482 -7.257 -4.944 1.00 0.00 C ATOM 919 CD1 LEU A 60 4.653 -7.998 -3.907 1.00 0.00 C ATOM 920 CD2 LEU A 60 6.798 -6.787 -4.341 1.00 0.00 C ATOM 0 H LEU A 60 5.386 -9.306 -8.809 1.00 0.00 H new ATOM 0 HA LEU A 60 3.657 -8.231 -6.693 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.927 -9.161 -5.813 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.649 -7.803 -6.652 1.00 0.00 H new ATOM 0 HG LEU A 60 4.921 -6.381 -5.269 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.481 -7.350 -3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.696 -8.284 -4.343 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.187 -8.892 -3.586 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.597 -6.156 -3.476 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.385 -7.651 -4.031 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.356 -6.217 -5.084 1.00 0.00 H new ATOM 932 N VAL A 61 3.661 -6.079 -7.902 1.00 0.00 N ATOM 933 CA VAL A 61 3.584 -4.839 -8.666 1.00 0.00 C ATOM 934 C VAL A 61 3.106 -3.684 -7.793 1.00 0.00 C ATOM 935 O VAL A 61 1.924 -3.594 -7.458 1.00 0.00 O ATOM 936 CB VAL A 61 2.638 -4.981 -9.873 1.00 0.00 C ATOM 937 CG1 VAL A 61 2.488 -3.650 -10.594 1.00 0.00 C ATOM 938 CG2 VAL A 61 3.145 -6.056 -10.823 1.00 0.00 C ATOM 0 H VAL A 61 2.894 -6.217 -7.244 1.00 0.00 H new ATOM 0 HA VAL A 61 4.591 -4.626 -9.026 1.00 0.00 H new ATOM 0 HB VAL A 61 1.656 -5.283 -9.509 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.816 -3.770 -11.444 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.077 -2.909 -9.908 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.463 -3.316 -10.947 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.465 -6.143 -11.670 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.138 -5.786 -11.181 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.196 -7.010 -10.299 1.00 0.00 H new ATOM 948 N ILE A 62 4.031 -2.803 -7.428 1.00 0.00 N ATOM 949 CA ILE A 62 3.703 -1.653 -6.594 1.00 0.00 C ATOM 950 C ILE A 62 2.955 -0.591 -7.393 1.00 0.00 C ATOM 951 O ILE A 62 3.519 0.038 -8.288 1.00 0.00 O ATOM 952 CB ILE A 62 4.968 -1.023 -5.982 1.00 0.00 C ATOM 953 CG1 ILE A 62 5.493 -1.891 -4.836 1.00 0.00 C ATOM 954 CG2 ILE A 62 4.673 0.387 -5.493 1.00 0.00 C ATOM 955 CD1 ILE A 62 6.781 -1.379 -4.232 1.00 0.00 C ATOM 0 H ILE A 62 5.013 -2.863 -7.696 1.00 0.00 H new ATOM 0 HA ILE A 62 3.063 -2.017 -5.790 1.00 0.00 H new ATOM 0 HB ILE A 62 5.737 -0.967 -6.752 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.733 -1.948 -4.057 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.651 -2.905 -5.202 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.576 0.819 -5.063 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.340 1.000 -6.330 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.891 0.353 -4.735 1.00 0.00 H new ATOM 0 HD11 ILE A 62 7.094 -2.043 -3.426 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.555 -1.348 -4.999 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.623 -0.376 -3.835 1.00 0.00 H new ATOM 967 N ALA A 63 1.683 -0.396 -7.062 1.00 0.00 N ATOM 968 CA ALA A 63 0.859 0.593 -7.746 1.00 0.00 C ATOM 969 C ALA A 63 0.336 1.641 -6.770 1.00 0.00 C ATOM 970 O ALA A 63 0.421 1.470 -5.554 1.00 0.00 O ATOM 971 CB ALA A 63 -0.298 -0.088 -8.462 1.00 0.00 C ATOM 0 H ALA A 63 1.201 -0.910 -6.325 1.00 0.00 H new ATOM 0 HA ALA A 63 1.481 1.100 -8.484 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.905 0.663 -8.968 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.093 -0.794 -9.195 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.912 -0.621 -7.736 1.00 0.00 H new ATOM 977 N LYS A 64 -0.205 2.728 -7.310 1.00 0.00 N ATOM 978 CA LYS A 64 -0.743 3.805 -6.488 1.00 0.00 C ATOM 979 C LYS A 64 -2.065 4.313 -7.053 1.00 0.00 C ATOM 980 O LYS A 64 -2.343 4.159 -8.242 1.00 0.00 O ATOM 981 CB LYS A 64 0.262 4.957 -6.399 1.00 0.00 C ATOM 982 CG LYS A 64 0.578 5.593 -7.741 1.00 0.00 C ATOM 983 CD LYS A 64 1.533 6.766 -7.591 1.00 0.00 C ATOM 984 CE LYS A 64 2.365 6.971 -8.848 1.00 0.00 C ATOM 985 NZ LYS A 64 3.373 8.053 -8.675 1.00 0.00 N ATOM 0 H LYS A 64 -0.282 2.886 -8.315 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.924 3.410 -5.488 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.132 5.721 -5.728 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.186 4.588 -5.954 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.017 4.847 -8.404 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.345 5.932 -8.210 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.967 7.672 -7.376 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.193 6.593 -6.741 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.871 6.040 -9.104 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.708 7.217 -9.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.920 8.162 -9.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.889 8.947 -8.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.016 7.807 -7.895 1.00 0.00 H new ATOM 999 N MET A 65 -2.877 4.920 -6.193 1.00 0.00 N ATOM 1000 CA MET A 65 -4.169 5.453 -6.608 1.00 0.00 C ATOM 1001 C MET A 65 -4.517 6.712 -5.820 1.00 0.00 C ATOM 1002 O MET A 65 -4.047 6.903 -4.698 1.00 0.00 O ATOM 1003 CB MET A 65 -5.263 4.401 -6.418 1.00 0.00 C ATOM 1004 CG MET A 65 -6.666 4.932 -6.664 1.00 0.00 C ATOM 1005 SD MET A 65 -7.817 3.642 -7.177 1.00 0.00 S ATOM 1006 CE MET A 65 -8.988 3.674 -5.822 1.00 0.00 C ATOM 0 H MET A 65 -2.663 5.055 -5.205 1.00 0.00 H new ATOM 0 HA MET A 65 -4.104 5.713 -7.664 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.075 3.567 -7.094 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.205 4.008 -5.403 1.00 0.00 H new ATOM 0 HG2 MET A 65 -7.037 5.403 -5.754 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.628 5.706 -7.431 1.00 0.00 H new ATOM 0 HE1 MET A 65 -9.991 3.483 -6.203 1.00 0.00 H new ATOM 0 HE2 MET A 65 -8.724 2.906 -5.095 1.00 0.00 H new ATOM 0 HE3 MET A 65 -8.962 4.652 -5.342 1.00 0.00 H new ATOM 1016 N ASP A 66 -5.340 7.568 -6.415 1.00 0.00 N ATOM 1017 CA ASP A 66 -5.751 8.809 -5.768 1.00 0.00 C ATOM 1018 C ASP A 66 -7.126 8.657 -5.125 1.00 0.00 C ATOM 1019 O ASP A 66 -8.148 8.942 -5.748 1.00 0.00 O ATOM 1020 CB ASP A 66 -5.772 9.954 -6.782 1.00 0.00 C ATOM 1021 CG ASP A 66 -4.516 10.000 -7.630 1.00 0.00 C ATOM 1022 OD1 ASP A 66 -4.112 8.938 -8.149 1.00 0.00 O ATOM 1023 OD2 ASP A 66 -3.937 11.097 -7.775 1.00 0.00 O ATOM 0 H ASP A 66 -5.736 7.426 -7.344 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.028 9.040 -4.986 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.641 9.845 -7.431 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.885 10.901 -6.254 1.00 0.00 H new ATOM 1028 N ALA A 67 -7.142 8.207 -3.875 1.00 0.00 N ATOM 1029 CA ALA A 67 -8.390 8.018 -3.147 1.00 0.00 C ATOM 1030 C ALA A 67 -9.219 9.298 -3.138 1.00 0.00 C ATOM 1031 O ALA A 67 -10.432 9.264 -2.927 1.00 0.00 O ATOM 1032 CB ALA A 67 -8.108 7.560 -1.724 1.00 0.00 C ATOM 0 H ALA A 67 -6.304 7.966 -3.345 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.966 7.246 -3.657 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.050 7.423 -1.192 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.564 6.616 -1.747 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.508 8.312 -1.212 1.00 0.00 H new ATOM 1038 N THR A 68 -8.557 10.428 -3.367 1.00 0.00 N ATOM 1039 CA THR A 68 -9.232 11.719 -3.383 1.00 0.00 C ATOM 1040 C THR A 68 -10.237 11.800 -4.527 1.00 0.00 C ATOM 1041 O THR A 68 -11.246 12.498 -4.431 1.00 0.00 O ATOM 1042 CB THR A 68 -8.226 12.878 -3.516 1.00 0.00 C ATOM 1043 OG1 THR A 68 -7.596 12.835 -4.801 1.00 0.00 O ATOM 1044 CG2 THR A 68 -7.169 12.804 -2.425 1.00 0.00 C ATOM 0 H THR A 68 -7.554 10.475 -3.544 1.00 0.00 H new ATOM 0 HA THR A 68 -9.758 11.812 -2.433 1.00 0.00 H new ATOM 0 HB THR A 68 -8.770 13.816 -3.410 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.959 13.576 -4.878 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.470 13.632 -2.539 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.649 12.866 -1.448 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.630 11.860 -2.504 1.00 0.00 H new ATOM 1052 N ALA A 69 -9.954 11.081 -5.608 1.00 0.00 N ATOM 1053 CA ALA A 69 -10.835 11.070 -6.770 1.00 0.00 C ATOM 1054 C ALA A 69 -11.600 9.755 -6.866 1.00 0.00 C ATOM 1055 O ALA A 69 -12.804 9.743 -7.120 1.00 0.00 O ATOM 1056 CB ALA A 69 -10.035 11.311 -8.041 1.00 0.00 C ATOM 0 H ALA A 69 -9.122 10.499 -5.704 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.561 11.875 -6.652 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.705 11.300 -8.900 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.538 12.279 -7.980 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.287 10.526 -8.154 1.00 0.00 H new ATOM 1062 N ASN A 70 -10.893 8.648 -6.661 1.00 0.00 N ATOM 1063 CA ASN A 70 -11.507 7.326 -6.726 1.00 0.00 C ATOM 1064 C ASN A 70 -12.058 6.915 -5.364 1.00 0.00 C ATOM 1065 O ASN A 70 -11.370 7.015 -4.348 1.00 0.00 O ATOM 1066 CB ASN A 70 -10.489 6.292 -7.210 1.00 0.00 C ATOM 1067 CG ASN A 70 -10.042 6.544 -8.637 1.00 0.00 C ATOM 1068 OD1 ASN A 70 -10.670 6.078 -9.587 1.00 0.00 O ATOM 1069 ND2 ASN A 70 -8.951 7.285 -8.793 1.00 0.00 N ATOM 0 H ASN A 70 -9.895 8.640 -6.449 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.334 7.371 -7.434 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.620 6.306 -6.552 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.926 5.296 -7.140 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.602 7.488 -9.730 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.462 7.651 -7.976 1.00 0.00 H new ATOM 1076 N ASP A 71 -13.303 6.452 -5.352 1.00 0.00 N ATOM 1077 CA ASP A 71 -13.947 6.024 -4.115 1.00 0.00 C ATOM 1078 C ASP A 71 -13.716 4.536 -3.869 1.00 0.00 C ATOM 1079 O ASP A 71 -14.156 3.692 -4.650 1.00 0.00 O ATOM 1080 CB ASP A 71 -15.448 6.317 -4.169 1.00 0.00 C ATOM 1081 CG ASP A 71 -15.744 7.743 -4.590 1.00 0.00 C ATOM 1082 OD1 ASP A 71 -15.674 8.642 -3.727 1.00 0.00 O ATOM 1083 OD2 ASP A 71 -16.047 7.959 -5.782 1.00 0.00 O ATOM 0 H ASP A 71 -13.886 6.363 -6.184 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.504 6.584 -3.291 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.925 5.629 -4.867 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -15.887 6.132 -3.189 1.00 0.00 H new ATOM 1088 N ILE A 72 -13.022 4.223 -2.780 1.00 0.00 N ATOM 1089 CA ILE A 72 -12.732 2.838 -2.432 1.00 0.00 C ATOM 1090 C ILE A 72 -13.957 2.153 -1.835 1.00 0.00 C ATOM 1091 O ILE A 72 -14.112 2.086 -0.615 1.00 0.00 O ATOM 1092 CB ILE A 72 -11.565 2.741 -1.431 1.00 0.00 C ATOM 1093 CG1 ILE A 72 -10.332 3.461 -1.981 1.00 0.00 C ATOM 1094 CG2 ILE A 72 -11.244 1.285 -1.131 1.00 0.00 C ATOM 1095 CD1 ILE A 72 -9.392 3.958 -0.905 1.00 0.00 C ATOM 0 H ILE A 72 -12.650 4.910 -2.124 1.00 0.00 H new ATOM 0 HA ILE A 72 -12.450 2.333 -3.356 1.00 0.00 H new ATOM 0 HB ILE A 72 -11.862 3.226 -0.501 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.790 2.784 -2.641 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -10.656 4.306 -2.588 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -10.417 1.233 -0.422 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -12.121 0.800 -0.702 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -10.963 0.777 -2.054 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -8.541 4.458 -1.368 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -9.918 4.661 -0.259 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -9.039 3.114 -0.312 1.00 0.00 H new ATOM 1107 N THR A 73 -14.825 1.644 -2.703 1.00 0.00 N ATOM 1108 CA THR A 73 -16.036 0.963 -2.262 1.00 0.00 C ATOM 1109 C THR A 73 -15.716 -0.124 -1.243 1.00 0.00 C ATOM 1110 O THR A 73 -16.483 -0.357 -0.309 1.00 0.00 O ATOM 1111 CB THR A 73 -16.790 0.333 -3.449 1.00 0.00 C ATOM 1112 OG1 THR A 73 -15.892 -0.460 -4.233 1.00 0.00 O ATOM 1113 CG2 THR A 73 -17.420 1.407 -4.322 1.00 0.00 C ATOM 0 H THR A 73 -14.712 1.690 -3.716 1.00 0.00 H new ATOM 0 HA THR A 73 -16.671 1.717 -1.797 1.00 0.00 H new ATOM 0 HB THR A 73 -17.583 -0.301 -3.052 1.00 0.00 H new ATOM 0 HG1 THR A 73 -16.379 -0.859 -4.985 1.00 0.00 H new ATOM 0 HG21 THR A 73 -17.947 0.938 -5.153 1.00 0.00 H new ATOM 0 HG22 THR A 73 -18.124 1.991 -3.729 1.00 0.00 H new ATOM 0 HG23 THR A 73 -16.641 2.063 -4.710 1.00 0.00 H new ATOM 1121 N ASN A 74 -14.579 -0.785 -1.427 1.00 0.00 N ATOM 1122 CA ASN A 74 -14.157 -1.849 -0.523 1.00 0.00 C ATOM 1123 C ASN A 74 -14.218 -1.383 0.929 1.00 0.00 C ATOM 1124 O ASN A 74 -13.893 -0.237 1.238 1.00 0.00 O ATOM 1125 CB ASN A 74 -12.738 -2.305 -0.865 1.00 0.00 C ATOM 1126 CG ASN A 74 -12.722 -3.442 -1.868 1.00 0.00 C ATOM 1127 OD1 ASN A 74 -13.738 -4.100 -2.093 1.00 0.00 O ATOM 1128 ND2 ASN A 74 -11.566 -3.678 -2.477 1.00 0.00 N ATOM 0 H ASN A 74 -13.932 -0.603 -2.194 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.840 -2.689 -0.646 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -12.175 -1.462 -1.266 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.231 -2.621 0.047 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -11.495 -4.430 -3.162 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -10.749 -3.107 -2.259 1.00 0.00 H new ATOM 1135 N ASP A 75 -14.635 -2.281 1.815 1.00 0.00 N ATOM 1136 CA ASP A 75 -14.736 -1.963 3.235 1.00 0.00 C ATOM 1137 C ASP A 75 -13.500 -2.443 3.989 1.00 0.00 C ATOM 1138 O ASP A 75 -13.469 -2.430 5.219 1.00 0.00 O ATOM 1139 CB ASP A 75 -15.992 -2.599 3.833 1.00 0.00 C ATOM 1140 CG ASP A 75 -16.556 -1.794 4.987 1.00 0.00 C ATOM 1141 OD1 ASP A 75 -17.177 -0.742 4.730 1.00 0.00 O ATOM 1142 OD2 ASP A 75 -16.375 -2.216 6.148 1.00 0.00 O ATOM 0 H ASP A 75 -14.908 -3.234 1.575 1.00 0.00 H new ATOM 0 HA ASP A 75 -14.803 -0.880 3.336 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -16.751 -2.696 3.057 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -15.757 -3.606 4.177 1.00 0.00 H new ATOM 1147 N GLN A 76 -12.485 -2.866 3.242 1.00 0.00 N ATOM 1148 CA GLN A 76 -11.247 -3.351 3.841 1.00 0.00 C ATOM 1149 C GLN A 76 -10.153 -2.292 3.762 1.00 0.00 C ATOM 1150 O GLN A 76 -9.327 -2.170 4.668 1.00 0.00 O ATOM 1151 CB GLN A 76 -10.786 -4.632 3.143 1.00 0.00 C ATOM 1152 CG GLN A 76 -11.919 -5.597 2.831 1.00 0.00 C ATOM 1153 CD GLN A 76 -12.486 -6.252 4.075 1.00 0.00 C ATOM 1154 OE1 GLN A 76 -12.855 -5.574 5.034 1.00 0.00 O ATOM 1155 NE2 GLN A 76 -12.560 -7.577 4.065 1.00 0.00 N ATOM 0 H GLN A 76 -12.496 -2.883 2.222 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.441 -3.568 4.891 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -10.279 -4.368 2.215 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -10.054 -5.136 3.774 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -12.714 -5.062 2.312 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -11.557 -6.369 2.151 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -12.243 -8.099 3.248 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -12.934 -8.073 4.874 1.00 0.00 H new ATOM 1164 N TYR A 77 -10.151 -1.530 2.675 1.00 0.00 N ATOM 1165 CA TYR A 77 -9.156 -0.483 2.477 1.00 0.00 C ATOM 1166 C TYR A 77 -9.758 0.896 2.731 1.00 0.00 C ATOM 1167 O TYR A 77 -10.537 1.405 1.925 1.00 0.00 O ATOM 1168 CB TYR A 77 -8.590 -0.551 1.057 1.00 0.00 C ATOM 1169 CG TYR A 77 -7.987 -1.893 0.709 1.00 0.00 C ATOM 1170 CD1 TYR A 77 -8.792 -3.007 0.509 1.00 0.00 C ATOM 1171 CD2 TYR A 77 -6.612 -2.046 0.579 1.00 0.00 C ATOM 1172 CE1 TYR A 77 -8.246 -4.236 0.192 1.00 0.00 C ATOM 1173 CE2 TYR A 77 -6.057 -3.271 0.260 1.00 0.00 C ATOM 1174 CZ TYR A 77 -6.878 -4.362 0.068 1.00 0.00 C ATOM 1175 OH TYR A 77 -6.330 -5.584 -0.249 1.00 0.00 O ATOM 0 H TYR A 77 -10.828 -1.617 1.917 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.349 -0.644 3.191 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.385 -0.324 0.347 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.829 0.221 0.941 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.864 -2.911 0.603 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.966 -1.194 0.730 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -8.886 -5.093 0.042 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -4.986 -3.373 0.162 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.811 -6.292 0.228 1.00 0.00 H new ATOM 1185 N LYS A 78 -9.390 1.496 3.858 1.00 0.00 N ATOM 1186 CA LYS A 78 -9.890 2.817 4.221 1.00 0.00 C ATOM 1187 C LYS A 78 -8.743 3.812 4.364 1.00 0.00 C ATOM 1188 O LYS A 78 -7.699 3.494 4.934 1.00 0.00 O ATOM 1189 CB LYS A 78 -10.682 2.743 5.528 1.00 0.00 C ATOM 1190 CG LYS A 78 -12.153 2.422 5.330 1.00 0.00 C ATOM 1191 CD LYS A 78 -13.013 3.055 6.412 1.00 0.00 C ATOM 1192 CE LYS A 78 -12.764 2.414 7.768 1.00 0.00 C ATOM 1193 NZ LYS A 78 -13.881 2.674 8.718 1.00 0.00 N ATOM 0 H LYS A 78 -8.747 1.088 4.536 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.549 3.161 3.424 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.236 1.984 6.171 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.594 3.695 6.051 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -12.476 2.779 4.352 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -12.295 1.341 5.337 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -12.801 4.123 6.469 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -14.066 2.953 6.148 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -12.636 1.339 7.643 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.834 2.799 8.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.673 2.221 9.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.987 3.699 8.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -14.764 2.284 8.331 1.00 0.00 H new ATOM 1207 N VAL A 79 -8.944 5.019 3.845 1.00 0.00 N ATOM 1208 CA VAL A 79 -7.928 6.062 3.918 1.00 0.00 C ATOM 1209 C VAL A 79 -8.234 7.051 5.037 1.00 0.00 C ATOM 1210 O VAL A 79 -9.094 7.919 4.892 1.00 0.00 O ATOM 1211 CB VAL A 79 -7.814 6.829 2.587 1.00 0.00 C ATOM 1212 CG1 VAL A 79 -6.770 7.929 2.692 1.00 0.00 C ATOM 1213 CG2 VAL A 79 -7.483 5.874 1.449 1.00 0.00 C ATOM 0 H VAL A 79 -9.802 5.299 3.369 1.00 0.00 H new ATOM 0 HA VAL A 79 -6.980 5.566 4.125 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.776 7.294 2.372 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.704 8.460 1.742 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.055 8.627 3.479 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.801 7.490 2.930 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.406 6.432 0.516 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.534 5.378 1.654 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -8.271 5.126 1.360 1.00 0.00 H new ATOM 1223 N GLU A 80 -7.525 6.912 6.152 1.00 0.00 N ATOM 1224 CA GLU A 80 -7.722 7.794 7.297 1.00 0.00 C ATOM 1225 C GLU A 80 -6.525 8.722 7.481 1.00 0.00 C ATOM 1226 O GLU A 80 -6.291 9.242 8.571 1.00 0.00 O ATOM 1227 CB GLU A 80 -7.945 6.973 8.569 1.00 0.00 C ATOM 1228 CG GLU A 80 -9.126 6.021 8.480 1.00 0.00 C ATOM 1229 CD GLU A 80 -9.061 4.913 9.514 1.00 0.00 C ATOM 1230 OE1 GLU A 80 -9.083 5.226 10.722 1.00 0.00 O ATOM 1231 OE2 GLU A 80 -8.988 3.732 9.113 1.00 0.00 O ATOM 0 H GLU A 80 -6.809 6.198 6.287 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.606 8.403 7.106 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.043 6.400 8.784 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.099 7.652 9.407 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.051 6.582 8.612 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.159 5.581 7.483 1.00 0.00 H new ATOM 1238 N GLY A 81 -5.770 8.925 6.405 1.00 0.00 N ATOM 1239 CA GLY A 81 -4.607 9.790 6.468 1.00 0.00 C ATOM 1240 C GLY A 81 -3.547 9.410 5.453 1.00 0.00 C ATOM 1241 O GLY A 81 -3.138 8.252 5.376 1.00 0.00 O ATOM 0 H GLY A 81 -5.943 8.506 5.491 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.915 10.822 6.298 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.179 9.746 7.470 1.00 0.00 H new ATOM 1245 N PHE A 82 -3.101 10.388 4.671 1.00 0.00 N ATOM 1246 CA PHE A 82 -2.084 10.150 3.654 1.00 0.00 C ATOM 1247 C PHE A 82 -0.699 10.533 4.169 1.00 0.00 C ATOM 1248 O PHE A 82 -0.544 11.428 5.000 1.00 0.00 O ATOM 1249 CB PHE A 82 -2.406 10.942 2.385 1.00 0.00 C ATOM 1250 CG PHE A 82 -3.849 10.860 1.977 1.00 0.00 C ATOM 1251 CD1 PHE A 82 -4.817 11.581 2.657 1.00 0.00 C ATOM 1252 CD2 PHE A 82 -4.237 10.061 0.914 1.00 0.00 C ATOM 1253 CE1 PHE A 82 -6.146 11.508 2.284 1.00 0.00 C ATOM 1254 CE2 PHE A 82 -5.564 9.984 0.536 1.00 0.00 C ATOM 1255 CZ PHE A 82 -6.520 10.708 1.222 1.00 0.00 C ATOM 0 H PHE A 82 -3.428 11.353 4.722 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.083 9.086 3.419 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.140 11.987 2.541 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.784 10.574 1.569 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.530 12.208 3.488 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.494 9.492 0.375 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.891 12.076 2.822 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.854 9.358 -0.295 1.00 0.00 H new ATOM 0 HZ PHE A 82 -7.558 10.649 0.928 1.00 0.00 H new ATOM 1265 N PRO A 83 0.332 9.839 3.664 1.00 0.00 N ATOM 1266 CA PRO A 83 0.159 8.771 2.675 1.00 0.00 C ATOM 1267 C PRO A 83 -0.510 7.536 3.267 1.00 0.00 C ATOM 1268 O PRO A 83 -0.692 7.436 4.481 1.00 0.00 O ATOM 1269 CB PRO A 83 1.593 8.450 2.246 1.00 0.00 C ATOM 1270 CG PRO A 83 2.435 8.858 3.405 1.00 0.00 C ATOM 1271 CD PRO A 83 1.746 10.044 4.022 1.00 0.00 C ATOM 0 HA PRO A 83 -0.488 9.077 1.853 1.00 0.00 H new ATOM 0 HB2 PRO A 83 1.712 7.389 2.024 1.00 0.00 H new ATOM 0 HB3 PRO A 83 1.868 8.997 1.344 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.529 8.044 4.124 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.443 9.117 3.082 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.887 10.074 5.102 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.129 10.984 3.624 1.00 0.00 H new ATOM 1279 N THR A 84 -0.874 6.594 2.402 1.00 0.00 N ATOM 1280 CA THR A 84 -1.524 5.365 2.839 1.00 0.00 C ATOM 1281 C THR A 84 -1.154 4.195 1.933 1.00 0.00 C ATOM 1282 O THR A 84 -1.583 4.131 0.781 1.00 0.00 O ATOM 1283 CB THR A 84 -3.056 5.517 2.862 1.00 0.00 C ATOM 1284 OG1 THR A 84 -3.413 6.803 3.379 1.00 0.00 O ATOM 1285 CG2 THR A 84 -3.695 4.428 3.711 1.00 0.00 C ATOM 0 H THR A 84 -0.729 6.659 1.394 1.00 0.00 H new ATOM 0 HA THR A 84 -1.171 5.164 3.851 1.00 0.00 H new ATOM 0 HB THR A 84 -3.424 5.422 1.840 1.00 0.00 H new ATOM 0 HG1 THR A 84 -3.219 6.835 4.339 1.00 0.00 H new ATOM 0 HG21 THR A 84 -4.777 4.556 3.712 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.446 3.451 3.297 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.320 4.496 4.732 1.00 0.00 H new ATOM 1293 N ILE A 85 -0.357 3.273 2.462 1.00 0.00 N ATOM 1294 CA ILE A 85 0.069 2.105 1.701 1.00 0.00 C ATOM 1295 C ILE A 85 -0.655 0.848 2.171 1.00 0.00 C ATOM 1296 O ILE A 85 -0.897 0.669 3.365 1.00 0.00 O ATOM 1297 CB ILE A 85 1.588 1.882 1.815 1.00 0.00 C ATOM 1298 CG1 ILE A 85 2.346 3.108 1.302 1.00 0.00 C ATOM 1299 CG2 ILE A 85 2.000 0.637 1.043 1.00 0.00 C ATOM 1300 CD1 ILE A 85 3.744 3.233 1.865 1.00 0.00 C ATOM 0 H ILE A 85 0.007 3.312 3.414 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.184 2.299 0.659 1.00 0.00 H new ATOM 0 HB ILE A 85 1.841 1.735 2.865 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.404 3.061 0.215 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.781 4.006 1.552 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.077 0.493 1.133 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.482 -0.231 1.450 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.737 0.757 -0.008 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.222 4.124 1.458 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.693 3.312 2.951 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.326 2.353 1.592 1.00 0.00 H new ATOM 1312 N TYR A 86 -0.997 -0.020 1.226 1.00 0.00 N ATOM 1313 CA TYR A 86 -1.694 -1.260 1.544 1.00 0.00 C ATOM 1314 C TYR A 86 -1.135 -2.423 0.730 1.00 0.00 C ATOM 1315 O TYR A 86 -0.817 -2.274 -0.450 1.00 0.00 O ATOM 1316 CB TYR A 86 -3.193 -1.110 1.276 1.00 0.00 C ATOM 1317 CG TYR A 86 -3.976 -0.622 2.474 1.00 0.00 C ATOM 1318 CD1 TYR A 86 -4.285 -1.480 3.523 1.00 0.00 C ATOM 1319 CD2 TYR A 86 -4.407 0.696 2.557 1.00 0.00 C ATOM 1320 CE1 TYR A 86 -5.001 -1.039 4.619 1.00 0.00 C ATOM 1321 CE2 TYR A 86 -5.122 1.146 3.650 1.00 0.00 C ATOM 1322 CZ TYR A 86 -5.416 0.275 4.678 1.00 0.00 C ATOM 1323 OH TYR A 86 -6.129 0.720 5.768 1.00 0.00 O ATOM 0 H TYR A 86 -0.803 0.112 0.233 1.00 0.00 H new ATOM 0 HA TYR A 86 -1.540 -1.473 2.602 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -3.338 -0.414 0.450 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -3.595 -2.072 0.957 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -3.960 -2.509 3.480 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.179 1.381 1.753 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -5.234 -1.719 5.425 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -5.449 2.174 3.699 1.00 0.00 H new ATOM 0 HH TYR A 86 -6.614 1.538 5.530 1.00 0.00 H new ATOM 1333 N PHE A 87 -1.019 -3.582 1.369 1.00 0.00 N ATOM 1334 CA PHE A 87 -0.498 -4.772 0.707 1.00 0.00 C ATOM 1335 C PHE A 87 -1.604 -5.800 0.485 1.00 0.00 C ATOM 1336 O PHE A 87 -2.127 -6.379 1.437 1.00 0.00 O ATOM 1337 CB PHE A 87 0.630 -5.391 1.535 1.00 0.00 C ATOM 1338 CG PHE A 87 1.394 -6.458 0.805 1.00 0.00 C ATOM 1339 CD1 PHE A 87 0.762 -7.618 0.386 1.00 0.00 C ATOM 1340 CD2 PHE A 87 2.745 -6.302 0.538 1.00 0.00 C ATOM 1341 CE1 PHE A 87 1.462 -8.601 -0.287 1.00 0.00 C ATOM 1342 CE2 PHE A 87 3.450 -7.282 -0.134 1.00 0.00 C ATOM 1343 CZ PHE A 87 2.809 -8.434 -0.546 1.00 0.00 C ATOM 0 H PHE A 87 -1.279 -3.723 2.345 1.00 0.00 H new ATOM 0 HA PHE A 87 -0.104 -4.473 -0.264 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.321 -4.604 1.839 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.210 -5.816 2.447 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.290 -7.755 0.588 1.00 0.00 H new ATOM 0 HD2 PHE A 87 3.252 -5.404 0.859 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.957 -9.499 -0.610 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.502 -7.147 -0.337 1.00 0.00 H new ATOM 0 HZ PHE A 87 3.359 -9.202 -1.069 1.00 0.00 H new ATOM 1353 N ALA A 88 -1.955 -6.020 -0.777 1.00 0.00 N ATOM 1354 CA ALA A 88 -2.998 -6.977 -1.125 1.00 0.00 C ATOM 1355 C ALA A 88 -2.396 -8.281 -1.638 1.00 0.00 C ATOM 1356 O ALA A 88 -2.046 -8.412 -2.811 1.00 0.00 O ATOM 1357 CB ALA A 88 -3.937 -6.382 -2.163 1.00 0.00 C ATOM 0 H ALA A 88 -1.532 -5.548 -1.576 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.568 -7.200 -0.223 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -4.710 -7.108 -2.413 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.401 -5.482 -1.760 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.373 -6.129 -3.061 1.00 0.00 H new ATOM 1363 N PRO A 89 -2.272 -9.270 -0.741 1.00 0.00 N ATOM 1364 CA PRO A 89 -1.712 -10.582 -1.080 1.00 0.00 C ATOM 1365 C PRO A 89 -2.635 -11.389 -1.987 1.00 0.00 C ATOM 1366 O PRO A 89 -3.748 -11.743 -1.599 1.00 0.00 O ATOM 1367 CB PRO A 89 -1.566 -11.268 0.280 1.00 0.00 C ATOM 1368 CG PRO A 89 -2.581 -10.609 1.148 1.00 0.00 C ATOM 1369 CD PRO A 89 -2.669 -9.185 0.675 1.00 0.00 C ATOM 0 HA PRO A 89 -0.776 -10.495 -1.631 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -1.747 -12.340 0.204 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -0.560 -11.142 0.681 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -3.547 -11.108 1.066 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -2.286 -10.654 2.196 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -3.677 -8.786 0.786 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -2.004 -8.532 1.240 1.00 0.00 H new ATOM 1377 N SER A 90 -2.165 -11.676 -3.197 1.00 0.00 N ATOM 1378 CA SER A 90 -2.950 -12.438 -4.161 1.00 0.00 C ATOM 1379 C SER A 90 -3.577 -13.663 -3.503 1.00 0.00 C ATOM 1380 O SER A 90 -2.901 -14.658 -3.244 1.00 0.00 O ATOM 1381 CB SER A 90 -2.072 -12.871 -5.337 1.00 0.00 C ATOM 1382 OG SER A 90 -1.041 -13.745 -4.910 1.00 0.00 O ATOM 0 H SER A 90 -1.245 -11.392 -3.533 1.00 0.00 H new ATOM 0 HA SER A 90 -3.749 -11.796 -4.530 1.00 0.00 H new ATOM 0 HB2 SER A 90 -2.685 -13.367 -6.089 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.635 -11.992 -5.811 1.00 0.00 H new ATOM 0 HG SER A 90 -0.405 -13.252 -4.350 1.00 0.00 H new ATOM 1388 N GLY A 91 -4.877 -13.582 -3.233 1.00 0.00 N ATOM 1389 CA GLY A 91 -5.576 -14.689 -2.607 1.00 0.00 C ATOM 1390 C GLY A 91 -6.226 -14.297 -1.296 1.00 0.00 C ATOM 1391 O GLY A 91 -7.419 -14.524 -1.095 1.00 0.00 O ATOM 0 H GLY A 91 -5.458 -12.769 -3.437 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.339 -15.065 -3.289 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.875 -15.505 -2.432 1.00 0.00 H new ATOM 1395 N ASP A 92 -5.441 -13.709 -0.400 1.00 0.00 N ATOM 1396 CA ASP A 92 -5.947 -13.285 0.900 1.00 0.00 C ATOM 1397 C ASP A 92 -6.128 -11.771 0.945 1.00 0.00 C ATOM 1398 O ASP A 92 -5.923 -11.141 1.983 1.00 0.00 O ATOM 1399 CB ASP A 92 -4.996 -13.731 2.012 1.00 0.00 C ATOM 1400 CG ASP A 92 -5.641 -13.675 3.383 1.00 0.00 C ATOM 1401 OD1 ASP A 92 -6.670 -14.354 3.583 1.00 0.00 O ATOM 1402 OD2 ASP A 92 -5.117 -12.952 4.255 1.00 0.00 O ATOM 0 H ASP A 92 -4.451 -13.515 -0.550 1.00 0.00 H new ATOM 0 HA ASP A 92 -6.919 -13.754 1.055 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.661 -14.749 1.813 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.110 -13.096 2.004 1.00 0.00 H new ATOM 1407 N LYS A 93 -6.514 -11.192 -0.187 1.00 0.00 N ATOM 1408 CA LYS A 93 -6.723 -9.752 -0.278 1.00 0.00 C ATOM 1409 C LYS A 93 -7.789 -9.294 0.711 1.00 0.00 C ATOM 1410 O LYS A 93 -7.779 -8.150 1.166 1.00 0.00 O ATOM 1411 CB LYS A 93 -7.133 -9.365 -1.701 1.00 0.00 C ATOM 1412 CG LYS A 93 -6.303 -10.041 -2.779 1.00 0.00 C ATOM 1413 CD LYS A 93 -6.176 -9.168 -4.015 1.00 0.00 C ATOM 1414 CE LYS A 93 -4.878 -9.441 -4.760 1.00 0.00 C ATOM 1415 NZ LYS A 93 -4.377 -8.228 -5.464 1.00 0.00 N ATOM 0 H LYS A 93 -6.689 -11.699 -1.055 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.784 -9.257 -0.029 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.182 -9.619 -1.849 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.048 -8.284 -1.813 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.311 -10.266 -2.388 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.762 -10.992 -3.050 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -7.022 -9.349 -4.678 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -6.217 -8.118 -3.726 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.122 -9.791 -4.057 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -5.036 -10.241 -5.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.222 -8.449 -6.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -5.078 -7.464 -5.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.481 -7.922 -5.034 1.00 0.00 H new ATOM 1429 N LYS A 94 -8.708 -10.194 1.044 1.00 0.00 N ATOM 1430 CA LYS A 94 -9.780 -9.884 1.982 1.00 0.00 C ATOM 1431 C LYS A 94 -9.226 -9.233 3.245 1.00 0.00 C ATOM 1432 O LYS A 94 -9.951 -8.561 3.978 1.00 0.00 O ATOM 1433 CB LYS A 94 -10.550 -11.155 2.347 1.00 0.00 C ATOM 1434 CG LYS A 94 -11.414 -11.688 1.217 1.00 0.00 C ATOM 1435 CD LYS A 94 -12.678 -10.863 1.045 1.00 0.00 C ATOM 1436 CE LYS A 94 -13.820 -11.701 0.491 1.00 0.00 C ATOM 1437 NZ LYS A 94 -15.150 -11.135 0.851 1.00 0.00 N ATOM 0 H LYS A 94 -8.732 -11.146 0.677 1.00 0.00 H new ATOM 0 HA LYS A 94 -10.459 -9.181 1.499 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -9.840 -11.927 2.646 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.182 -10.951 3.211 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -10.844 -11.681 0.288 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -11.680 -12.725 1.420 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -12.970 -10.438 2.005 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -12.480 -10.027 0.374 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -13.733 -11.761 -0.594 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -13.743 -12.718 0.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -15.901 -11.735 0.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -15.244 -11.101 1.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -15.234 -10.174 0.464 1.00 0.00 H new ATOM 1451 N ASN A 95 -7.936 -9.435 3.492 1.00 0.00 N ATOM 1452 CA ASN A 95 -7.284 -8.866 4.667 1.00 0.00 C ATOM 1453 C ASN A 95 -6.147 -7.934 4.260 1.00 0.00 C ATOM 1454 O ASN A 95 -5.005 -8.355 4.070 1.00 0.00 O ATOM 1455 CB ASN A 95 -6.749 -9.980 5.569 1.00 0.00 C ATOM 1456 CG ASN A 95 -7.790 -11.046 5.850 1.00 0.00 C ATOM 1457 OD1 ASN A 95 -8.976 -10.858 5.580 1.00 0.00 O ATOM 1458 ND2 ASN A 95 -7.349 -12.173 6.397 1.00 0.00 N ATOM 0 H ASN A 95 -7.321 -9.988 2.895 1.00 0.00 H new ATOM 0 HA ASN A 95 -8.025 -8.287 5.218 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -5.880 -10.440 5.098 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.410 -9.550 6.511 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -8.003 -12.926 6.610 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -6.357 -12.285 6.604 1.00 0.00 H new ATOM 1465 N PRO A 96 -6.463 -6.638 4.124 1.00 0.00 N ATOM 1466 CA PRO A 96 -5.481 -5.620 3.740 1.00 0.00 C ATOM 1467 C PRO A 96 -4.459 -5.356 4.840 1.00 0.00 C ATOM 1468 O PRO A 96 -4.815 -5.224 6.011 1.00 0.00 O ATOM 1469 CB PRO A 96 -6.338 -4.375 3.495 1.00 0.00 C ATOM 1470 CG PRO A 96 -7.555 -4.584 4.329 1.00 0.00 C ATOM 1471 CD PRO A 96 -7.804 -6.067 4.335 1.00 0.00 C ATOM 0 HA PRO A 96 -4.893 -5.926 2.875 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.810 -3.467 3.786 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -6.594 -4.271 2.440 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -7.403 -4.210 5.341 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -8.408 -4.047 3.915 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -8.238 -6.398 5.279 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -8.495 -6.362 3.545 1.00 0.00 H new ATOM 1479 N ILE A 97 -3.190 -5.279 4.456 1.00 0.00 N ATOM 1480 CA ILE A 97 -2.117 -5.028 5.410 1.00 0.00 C ATOM 1481 C ILE A 97 -1.523 -3.637 5.217 1.00 0.00 C ATOM 1482 O ILE A 97 -0.686 -3.424 4.339 1.00 0.00 O ATOM 1483 CB ILE A 97 -0.995 -6.076 5.284 1.00 0.00 C ATOM 1484 CG1 ILE A 97 -1.584 -7.488 5.282 1.00 0.00 C ATOM 1485 CG2 ILE A 97 0.009 -5.916 6.416 1.00 0.00 C ATOM 1486 CD1 ILE A 97 -0.734 -8.497 4.542 1.00 0.00 C ATOM 0 H ILE A 97 -2.879 -5.387 3.490 1.00 0.00 H new ATOM 0 HA ILE A 97 -2.557 -5.097 6.405 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.475 -5.918 4.339 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -1.714 -7.820 6.312 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.575 -7.459 4.829 1.00 0.00 H new ATOM 0 HG21 ILE A 97 0.796 -6.664 6.313 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.448 -4.919 6.375 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -0.496 -6.050 7.372 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -1.213 -9.475 4.582 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.625 -8.188 3.502 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.250 -8.555 5.008 1.00 0.00 H new ATOM 1498 N LYS A 98 -1.958 -2.694 6.045 1.00 0.00 N ATOM 1499 CA LYS A 98 -1.468 -1.323 5.968 1.00 0.00 C ATOM 1500 C LYS A 98 -0.065 -1.213 6.556 1.00 0.00 C ATOM 1501 O LYS A 98 0.321 -2.002 7.419 1.00 0.00 O ATOM 1502 CB LYS A 98 -2.417 -0.378 6.709 1.00 0.00 C ATOM 1503 CG LYS A 98 -1.917 1.055 6.779 1.00 0.00 C ATOM 1504 CD LYS A 98 -3.067 2.041 6.897 1.00 0.00 C ATOM 1505 CE LYS A 98 -3.435 2.297 8.350 1.00 0.00 C ATOM 1506 NZ LYS A 98 -4.272 1.201 8.912 1.00 0.00 N ATOM 0 H LYS A 98 -2.649 -2.854 6.778 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.427 -1.037 4.917 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.388 -0.391 6.215 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.570 -0.751 7.722 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.251 1.168 7.634 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.332 1.281 5.887 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -2.792 2.981 6.419 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.935 1.654 6.363 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.526 2.400 8.942 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.974 3.241 8.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -4.790 1.551 9.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.950 0.878 8.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.662 0.407 9.193 1.00 0.00 H new ATOM 1520 N PHE A 99 0.695 -0.230 6.084 1.00 0.00 N ATOM 1521 CA PHE A 99 2.055 -0.017 6.563 1.00 0.00 C ATOM 1522 C PHE A 99 2.095 1.087 7.615 1.00 0.00 C ATOM 1523 O PHE A 99 2.010 2.271 7.290 1.00 0.00 O ATOM 1524 CB PHE A 99 2.979 0.340 5.397 1.00 0.00 C ATOM 1525 CG PHE A 99 4.307 0.891 5.832 1.00 0.00 C ATOM 1526 CD1 PHE A 99 5.168 0.130 6.606 1.00 0.00 C ATOM 1527 CD2 PHE A 99 4.694 2.170 5.466 1.00 0.00 C ATOM 1528 CE1 PHE A 99 6.391 0.634 7.008 1.00 0.00 C ATOM 1529 CE2 PHE A 99 5.916 2.680 5.864 1.00 0.00 C ATOM 1530 CZ PHE A 99 6.765 1.911 6.637 1.00 0.00 C ATOM 0 H PHE A 99 0.391 0.432 5.370 1.00 0.00 H new ATOM 0 HA PHE A 99 2.401 -0.943 7.021 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.145 -0.550 4.790 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.482 1.072 4.761 1.00 0.00 H new ATOM 0 HD1 PHE A 99 4.880 -0.869 6.899 1.00 0.00 H new ATOM 0 HD2 PHE A 99 4.034 2.776 4.863 1.00 0.00 H new ATOM 0 HE1 PHE A 99 7.053 0.030 7.611 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.207 3.678 5.571 1.00 0.00 H new ATOM 0 HZ PHE A 99 7.719 2.308 6.951 1.00 0.00 H new ATOM 1540 N GLU A 100 2.224 0.690 8.877 1.00 0.00 N ATOM 1541 CA GLU A 100 2.273 1.646 9.977 1.00 0.00 C ATOM 1542 C GLU A 100 3.644 1.633 10.648 1.00 0.00 C ATOM 1543 O GLU A 100 3.748 1.685 11.873 1.00 0.00 O ATOM 1544 CB GLU A 100 1.186 1.329 11.007 1.00 0.00 C ATOM 1545 CG GLU A 100 -0.216 1.680 10.539 1.00 0.00 C ATOM 1546 CD GLU A 100 -1.135 2.059 11.684 1.00 0.00 C ATOM 1547 OE1 GLU A 100 -1.716 1.144 12.305 1.00 0.00 O ATOM 1548 OE2 GLU A 100 -1.275 3.269 11.958 1.00 0.00 O ATOM 0 H GLU A 100 2.296 -0.286 9.163 1.00 0.00 H new ATOM 0 HA GLU A 100 2.097 2.641 9.568 1.00 0.00 H new ATOM 0 HB2 GLU A 100 1.224 0.267 11.248 1.00 0.00 H new ATOM 0 HB3 GLU A 100 1.400 1.873 11.927 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -0.162 2.508 9.832 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -0.640 0.830 10.004 1.00 0.00 H new ATOM 1555 N GLY A 101 4.694 1.564 9.835 1.00 0.00 N ATOM 1556 CA GLY A 101 6.044 1.545 10.367 1.00 0.00 C ATOM 1557 C GLY A 101 6.557 2.932 10.697 1.00 0.00 C ATOM 1558 O GLY A 101 7.753 3.200 10.595 1.00 0.00 O ATOM 0 H GLY A 101 4.634 1.521 8.818 1.00 0.00 H new ATOM 0 HA2 GLY A 101 6.068 0.929 11.266 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.710 1.078 9.642 1.00 0.00 H new ATOM 1562 N GLY A 102 5.648 3.819 11.091 1.00 0.00 N ATOM 1563 CA GLY A 102 6.034 5.177 11.429 1.00 0.00 C ATOM 1564 C GLY A 102 6.849 5.837 10.334 1.00 0.00 C ATOM 1565 O GLY A 102 6.301 6.514 9.466 1.00 0.00 O ATOM 0 H GLY A 102 4.651 3.622 11.182 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.139 5.769 11.619 1.00 0.00 H new ATOM 0 HA3 GLY A 102 6.612 5.168 12.353 1.00 0.00 H new ATOM 1569 N ASN A 103 8.163 5.641 10.377 1.00 0.00 N ATOM 1570 CA ASN A 103 9.055 6.225 9.382 1.00 0.00 C ATOM 1571 C ASN A 103 8.666 5.781 7.975 1.00 0.00 C ATOM 1572 O ASN A 103 8.781 4.605 7.631 1.00 0.00 O ATOM 1573 CB ASN A 103 10.505 5.829 9.672 1.00 0.00 C ATOM 1574 CG ASN A 103 11.058 6.520 10.903 1.00 0.00 C ATOM 1575 OD1 ASN A 103 11.659 5.744 11.797 1.00 0.00 O flip ATOM 1576 ND2 ASN A 103 10.947 7.738 11.047 1.00 0.00 N flip ATOM 0 H ASN A 103 8.633 5.083 11.090 1.00 0.00 H new ATOM 0 HA ASN A 103 8.963 7.310 9.440 1.00 0.00 H new ATOM 0 HB2 ASN A 103 10.564 4.749 9.808 1.00 0.00 H new ATOM 0 HB3 ASN A 103 11.125 6.076 8.811 1.00 0.00 H new ATOM 0 HD21 ASN A 103 10.477 8.295 10.334 1.00 0.00 H new ATOM 0 HD22 ASN A 103 11.325 8.190 11.880 1.00 0.00 H new ATOM 1583 N ARG A 104 8.207 6.730 7.167 1.00 0.00 N ATOM 1584 CA ARG A 104 7.800 6.438 5.798 1.00 0.00 C ATOM 1585 C ARG A 104 8.984 6.556 4.842 1.00 0.00 C ATOM 1586 O ARG A 104 9.019 7.444 3.990 1.00 0.00 O ATOM 1587 CB ARG A 104 6.681 7.385 5.362 1.00 0.00 C ATOM 1588 CG ARG A 104 5.856 6.859 4.199 1.00 0.00 C ATOM 1589 CD ARG A 104 4.637 6.089 4.684 1.00 0.00 C ATOM 1590 NE ARG A 104 3.812 6.885 5.589 1.00 0.00 N ATOM 1591 CZ ARG A 104 2.723 6.421 6.191 1.00 0.00 C ATOM 1592 NH1 ARG A 104 2.330 5.171 5.986 1.00 0.00 N ATOM 1593 NH2 ARG A 104 2.025 7.206 7.001 1.00 0.00 N ATOM 0 H ARG A 104 8.107 7.709 7.437 1.00 0.00 H new ATOM 0 HA ARG A 104 7.431 5.413 5.766 1.00 0.00 H new ATOM 0 HB2 ARG A 104 6.022 7.569 6.210 1.00 0.00 H new ATOM 0 HB3 ARG A 104 7.117 8.344 5.083 1.00 0.00 H new ATOM 0 HG2 ARG A 104 5.536 7.692 3.572 1.00 0.00 H new ATOM 0 HG3 ARG A 104 6.473 6.211 3.577 1.00 0.00 H new ATOM 0 HD2 ARG A 104 4.039 5.779 3.827 1.00 0.00 H new ATOM 0 HD3 ARG A 104 4.960 5.181 5.192 1.00 0.00 H new ATOM 0 HE ARG A 104 4.087 7.851 5.769 1.00 0.00 H new ATOM 0 HH11 ARG A 104 2.865 4.564 5.365 1.00 0.00 H new ATOM 0 HH12 ARG A 104 1.493 4.817 6.450 1.00 0.00 H new ATOM 0 HH21 ARG A 104 2.324 8.168 7.162 1.00 0.00 H new ATOM 0 HH22 ARG A 104 1.189 6.848 7.463 1.00 0.00 H new ATOM 1607 N ASP A 105 9.950 5.657 4.991 1.00 0.00 N ATOM 1608 CA ASP A 105 11.135 5.661 4.141 1.00 0.00 C ATOM 1609 C ASP A 105 11.221 4.376 3.323 1.00 0.00 C ATOM 1610 O ASP A 105 10.466 3.430 3.552 1.00 0.00 O ATOM 1611 CB ASP A 105 12.397 5.824 4.990 1.00 0.00 C ATOM 1612 CG ASP A 105 12.353 7.064 5.861 1.00 0.00 C ATOM 1613 OD1 ASP A 105 11.704 8.052 5.455 1.00 0.00 O ATOM 1614 OD2 ASP A 105 12.966 7.048 6.948 1.00 0.00 O ATOM 0 H ASP A 105 9.936 4.916 5.692 1.00 0.00 H new ATOM 0 HA ASP A 105 11.056 6.504 3.454 1.00 0.00 H new ATOM 0 HB2 ASP A 105 12.523 4.944 5.621 1.00 0.00 H new ATOM 0 HB3 ASP A 105 13.267 5.874 4.336 1.00 0.00 H new ATOM 1619 N LEU A 106 12.142 4.350 2.367 1.00 0.00 N ATOM 1620 CA LEU A 106 12.326 3.182 1.512 1.00 0.00 C ATOM 1621 C LEU A 106 12.877 2.005 2.311 1.00 0.00 C ATOM 1622 O LEU A 106 12.557 0.850 2.031 1.00 0.00 O ATOM 1623 CB LEU A 106 13.271 3.515 0.356 1.00 0.00 C ATOM 1624 CG LEU A 106 13.599 2.363 -0.595 1.00 0.00 C ATOM 1625 CD1 LEU A 106 12.588 2.304 -1.730 1.00 0.00 C ATOM 1626 CD2 LEU A 106 15.011 2.510 -1.143 1.00 0.00 C ATOM 0 H LEU A 106 12.774 5.125 2.164 1.00 0.00 H new ATOM 0 HA LEU A 106 11.353 2.901 1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 106 12.831 4.325 -0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 106 14.205 3.892 0.773 1.00 0.00 H new ATOM 0 HG LEU A 106 13.543 1.428 -0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.837 1.478 -2.397 1.00 0.00 H new ATOM 0 HD12 LEU A 106 11.590 2.151 -1.320 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.612 3.240 -2.287 1.00 0.00 H new ATOM 0 HD21 LEU A 106 15.227 1.682 -1.818 1.00 0.00 H new ATOM 0 HD22 LEU A 106 15.094 3.452 -1.686 1.00 0.00 H new ATOM 0 HD23 LEU A 106 15.724 2.502 -0.319 1.00 0.00 H new ATOM 1638 N GLU A 107 13.704 2.307 3.307 1.00 0.00 N ATOM 1639 CA GLU A 107 14.297 1.273 4.146 1.00 0.00 C ATOM 1640 C GLU A 107 13.229 0.568 4.978 1.00 0.00 C ATOM 1641 O GLU A 107 13.250 -0.654 5.130 1.00 0.00 O ATOM 1642 CB GLU A 107 15.359 1.878 5.067 1.00 0.00 C ATOM 1643 CG GLU A 107 16.707 2.074 4.394 1.00 0.00 C ATOM 1644 CD GLU A 107 17.288 0.778 3.864 1.00 0.00 C ATOM 1645 OE1 GLU A 107 17.566 -0.126 4.680 1.00 0.00 O ATOM 1646 OE2 GLU A 107 17.464 0.667 2.632 1.00 0.00 O ATOM 0 H GLU A 107 13.978 3.258 3.552 1.00 0.00 H new ATOM 0 HA GLU A 107 14.768 0.538 3.493 1.00 0.00 H new ATOM 0 HB2 GLU A 107 15.003 2.840 5.436 1.00 0.00 H new ATOM 0 HB3 GLU A 107 15.486 1.231 5.935 1.00 0.00 H new ATOM 0 HG2 GLU A 107 16.599 2.782 3.573 1.00 0.00 H new ATOM 0 HG3 GLU A 107 17.404 2.516 5.106 1.00 0.00 H new ATOM 1653 N HIS A 108 12.297 1.348 5.516 1.00 0.00 N ATOM 1654 CA HIS A 108 11.220 0.800 6.333 1.00 0.00 C ATOM 1655 C HIS A 108 10.161 0.133 5.460 1.00 0.00 C ATOM 1656 O HIS A 108 9.595 -0.896 5.830 1.00 0.00 O ATOM 1657 CB HIS A 108 10.580 1.902 7.178 1.00 0.00 C ATOM 1658 CG HIS A 108 11.272 2.131 8.487 1.00 0.00 C ATOM 1659 ND1 HIS A 108 10.599 2.436 9.651 1.00 0.00 N ATOM 1660 CD2 HIS A 108 12.586 2.097 8.812 1.00 0.00 C ATOM 1661 CE1 HIS A 108 11.468 2.581 10.635 1.00 0.00 C ATOM 1662 NE2 HIS A 108 12.681 2.379 10.152 1.00 0.00 N ATOM 0 H HIS A 108 12.266 2.361 5.401 1.00 0.00 H new ATOM 0 HA HIS A 108 11.647 0.047 6.995 1.00 0.00 H new ATOM 0 HB2 HIS A 108 10.580 2.832 6.609 1.00 0.00 H new ATOM 0 HB3 HIS A 108 9.538 1.644 7.367 1.00 0.00 H new ATOM 0 HD1 HIS A 108 9.588 2.534 9.739 1.00 0.00 H new ATOM 0 HD2 HIS A 108 13.406 1.887 8.142 1.00 0.00 H new ATOM 0 HE1 HIS A 108 11.228 2.823 11.660 1.00 0.00 H new ATOM 1671 N LEU A 109 9.898 0.726 4.301 1.00 0.00 N ATOM 1672 CA LEU A 109 8.906 0.190 3.375 1.00 0.00 C ATOM 1673 C LEU A 109 9.339 -1.173 2.844 1.00 0.00 C ATOM 1674 O LEU A 109 8.597 -2.151 2.938 1.00 0.00 O ATOM 1675 CB LEU A 109 8.690 1.159 2.212 1.00 0.00 C ATOM 1676 CG LEU A 109 7.877 2.415 2.527 1.00 0.00 C ATOM 1677 CD1 LEU A 109 7.879 3.364 1.338 1.00 0.00 C ATOM 1678 CD2 LEU A 109 6.453 2.046 2.914 1.00 0.00 C ATOM 0 H LEU A 109 10.358 1.578 3.980 1.00 0.00 H new ATOM 0 HA LEU A 109 7.968 0.067 3.916 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.666 1.467 1.836 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.192 0.621 1.405 1.00 0.00 H new ATOM 0 HG LEU A 109 8.342 2.923 3.372 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.296 4.252 1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 109 8.904 3.655 1.106 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.439 2.866 0.474 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.889 2.953 3.135 1.00 0.00 H new ATOM 0 HD22 LEU A 109 5.978 1.515 2.089 1.00 0.00 H new ATOM 0 HD23 LEU A 109 6.470 1.406 3.796 1.00 0.00 H new ATOM 1690 N SER A 110 10.544 -1.230 2.287 1.00 0.00 N ATOM 1691 CA SER A 110 11.075 -2.473 1.738 1.00 0.00 C ATOM 1692 C SER A 110 11.084 -3.572 2.796 1.00 0.00 C ATOM 1693 O SER A 110 10.879 -4.747 2.489 1.00 0.00 O ATOM 1694 CB SER A 110 12.490 -2.254 1.201 1.00 0.00 C ATOM 1695 OG SER A 110 13.361 -1.804 2.224 1.00 0.00 O ATOM 0 H SER A 110 11.172 -0.430 2.204 1.00 0.00 H new ATOM 0 HA SER A 110 10.428 -2.786 0.919 1.00 0.00 H new ATOM 0 HB2 SER A 110 12.870 -3.184 0.779 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.466 -1.524 0.392 1.00 0.00 H new ATOM 0 HG SER A 110 13.264 -0.835 2.334 1.00 0.00 H new ATOM 1701 N LYS A 111 11.324 -3.183 4.043 1.00 0.00 N ATOM 1702 CA LYS A 111 11.360 -4.133 5.148 1.00 0.00 C ATOM 1703 C LYS A 111 9.955 -4.610 5.502 1.00 0.00 C ATOM 1704 O LYS A 111 9.784 -5.640 6.155 1.00 0.00 O ATOM 1705 CB LYS A 111 12.017 -3.496 6.375 1.00 0.00 C ATOM 1706 CG LYS A 111 13.528 -3.382 6.265 1.00 0.00 C ATOM 1707 CD LYS A 111 14.116 -2.620 7.440 1.00 0.00 C ATOM 1708 CE LYS A 111 15.557 -2.210 7.174 1.00 0.00 C ATOM 1709 NZ LYS A 111 16.503 -3.341 7.382 1.00 0.00 N ATOM 0 H LYS A 111 11.497 -2.215 4.314 1.00 0.00 H new ATOM 0 HA LYS A 111 11.949 -4.994 4.834 1.00 0.00 H new ATOM 0 HB2 LYS A 111 11.596 -2.502 6.527 1.00 0.00 H new ATOM 0 HB3 LYS A 111 11.769 -4.086 7.257 1.00 0.00 H new ATOM 0 HG2 LYS A 111 13.967 -4.379 6.220 1.00 0.00 H new ATOM 0 HG3 LYS A 111 13.789 -2.877 5.335 1.00 0.00 H new ATOM 0 HD2 LYS A 111 13.515 -1.733 7.637 1.00 0.00 H new ATOM 0 HD3 LYS A 111 14.072 -3.240 8.336 1.00 0.00 H new ATOM 0 HE2 LYS A 111 15.648 -1.844 6.151 1.00 0.00 H new ATOM 0 HE3 LYS A 111 15.827 -1.385 7.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 17.474 -3.021 7.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 16.435 -3.674 8.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 16.261 -4.119 6.736 1.00 0.00 H new ATOM 1723 N PHE A 112 8.952 -3.855 5.065 1.00 0.00 N ATOM 1724 CA PHE A 112 7.561 -4.202 5.335 1.00 0.00 C ATOM 1725 C PHE A 112 6.966 -5.001 4.180 1.00 0.00 C ATOM 1726 O PHE A 112 6.117 -5.870 4.385 1.00 0.00 O ATOM 1727 CB PHE A 112 6.735 -2.936 5.573 1.00 0.00 C ATOM 1728 CG PHE A 112 5.256 -3.147 5.421 1.00 0.00 C ATOM 1729 CD1 PHE A 112 4.679 -3.217 4.163 1.00 0.00 C ATOM 1730 CD2 PHE A 112 4.443 -3.277 6.535 1.00 0.00 C ATOM 1731 CE1 PHE A 112 3.318 -3.411 4.021 1.00 0.00 C ATOM 1732 CE2 PHE A 112 3.081 -3.472 6.399 1.00 0.00 C ATOM 1733 CZ PHE A 112 2.518 -3.540 5.140 1.00 0.00 C ATOM 0 H PHE A 112 9.076 -3.000 4.523 1.00 0.00 H new ATOM 0 HA PHE A 112 7.534 -4.820 6.233 1.00 0.00 H new ATOM 0 HB2 PHE A 112 6.939 -2.562 6.576 1.00 0.00 H new ATOM 0 HB3 PHE A 112 7.058 -2.165 4.874 1.00 0.00 H new ATOM 0 HD1 PHE A 112 5.299 -3.119 3.284 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.878 -3.225 7.522 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.880 -3.462 3.035 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.458 -3.571 7.276 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.455 -3.694 5.030 1.00 0.00 H new ATOM 1743 N ILE A 113 7.416 -4.701 2.967 1.00 0.00 N ATOM 1744 CA ILE A 113 6.928 -5.392 1.779 1.00 0.00 C ATOM 1745 C ILE A 113 7.423 -6.834 1.740 1.00 0.00 C ATOM 1746 O ILE A 113 6.637 -7.774 1.859 1.00 0.00 O ATOM 1747 CB ILE A 113 7.370 -4.675 0.490 1.00 0.00 C ATOM 1748 CG1 ILE A 113 6.653 -3.329 0.358 1.00 0.00 C ATOM 1749 CG2 ILE A 113 7.093 -5.549 -0.724 1.00 0.00 C ATOM 1750 CD1 ILE A 113 7.111 -2.514 -0.831 1.00 0.00 C ATOM 0 H ILE A 113 8.117 -3.984 2.780 1.00 0.00 H new ATOM 0 HA ILE A 113 5.839 -5.385 1.834 1.00 0.00 H new ATOM 0 HB ILE A 113 8.443 -4.491 0.544 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.580 -3.504 0.276 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.813 -2.751 1.268 1.00 0.00 H new ATOM 0 HG21 ILE A 113 7.411 -5.028 -1.627 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.644 -6.485 -0.632 1.00 0.00 H new ATOM 0 HG23 ILE A 113 6.025 -5.761 -0.784 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.560 -1.574 -0.861 1.00 0.00 H new ATOM 0 HD12 ILE A 113 8.177 -2.307 -0.741 1.00 0.00 H new ATOM 0 HD13 ILE A 113 6.926 -3.073 -1.748 1.00 0.00 H new ATOM 1762 N ASP A 114 8.730 -7.000 1.574 1.00 0.00 N ATOM 1763 CA ASP A 114 9.332 -8.328 1.522 1.00 0.00 C ATOM 1764 C ASP A 114 8.595 -9.295 2.445 1.00 0.00 C ATOM 1765 O ASP A 114 8.176 -10.372 2.022 1.00 0.00 O ATOM 1766 CB ASP A 114 10.809 -8.258 1.912 1.00 0.00 C ATOM 1767 CG ASP A 114 11.709 -7.990 0.722 1.00 0.00 C ATOM 1768 OD1 ASP A 114 11.294 -8.291 -0.416 1.00 0.00 O ATOM 1769 OD2 ASP A 114 12.829 -7.478 0.930 1.00 0.00 O ATOM 0 H ASP A 114 9.394 -6.232 1.473 1.00 0.00 H new ATOM 0 HA ASP A 114 9.252 -8.696 0.499 1.00 0.00 H new ATOM 0 HB2 ASP A 114 10.949 -7.472 2.654 1.00 0.00 H new ATOM 0 HB3 ASP A 114 11.103 -9.197 2.382 1.00 0.00 H new ATOM 1774 N GLU A 115 8.442 -8.901 3.705 1.00 0.00 N ATOM 1775 CA GLU A 115 7.757 -9.734 4.687 1.00 0.00 C ATOM 1776 C GLU A 115 6.464 -10.304 4.110 1.00 0.00 C ATOM 1777 O GLU A 115 6.213 -11.507 4.187 1.00 0.00 O ATOM 1778 CB GLU A 115 7.453 -8.927 5.951 1.00 0.00 C ATOM 1779 CG GLU A 115 8.610 -8.877 6.934 1.00 0.00 C ATOM 1780 CD GLU A 115 8.182 -8.423 8.316 1.00 0.00 C ATOM 1781 OE1 GLU A 115 7.082 -8.818 8.756 1.00 0.00 O ATOM 1782 OE2 GLU A 115 8.948 -7.674 8.958 1.00 0.00 O ATOM 0 H GLU A 115 8.783 -8.011 4.070 1.00 0.00 H new ATOM 0 HA GLU A 115 8.416 -10.563 4.945 1.00 0.00 H new ATOM 0 HB2 GLU A 115 7.185 -7.910 5.667 1.00 0.00 H new ATOM 0 HB3 GLU A 115 6.584 -9.359 6.447 1.00 0.00 H new ATOM 0 HG2 GLU A 115 9.065 -9.865 7.005 1.00 0.00 H new ATOM 0 HG3 GLU A 115 9.376 -8.200 6.554 1.00 0.00 H new ATOM 1789 N HIS A 116 5.646 -9.430 3.532 1.00 0.00 N ATOM 1790 CA HIS A 116 4.378 -9.844 2.942 1.00 0.00 C ATOM 1791 C HIS A 116 4.575 -10.308 1.502 1.00 0.00 C ATOM 1792 O HIS A 116 3.688 -10.923 0.912 1.00 0.00 O ATOM 1793 CB HIS A 116 3.370 -8.695 2.987 1.00 0.00 C ATOM 1794 CG HIS A 116 3.106 -8.184 4.370 1.00 0.00 C ATOM 1795 ND1 HIS A 116 2.610 -8.807 5.464 1.00 0.00 N flip ATOM 1796 CD2 HIS A 116 3.354 -6.883 4.752 1.00 0.00 C flip ATOM 1797 CE1 HIS A 116 2.569 -7.881 6.477 1.00 0.00 C flip ATOM 1798 NE2 HIS A 116 3.024 -6.728 6.021 1.00 0.00 N flip ATOM 0 H HIS A 116 5.839 -8.431 3.460 1.00 0.00 H new ATOM 0 HA HIS A 116 3.990 -10.680 3.525 1.00 0.00 H new ATOM 0 HB2 HIS A 116 3.738 -7.875 2.370 1.00 0.00 H new ATOM 0 HB3 HIS A 116 2.431 -9.029 2.546 1.00 0.00 H new ATOM 0 HD2 HIS A 116 3.756 -6.111 4.113 1.00 0.00 H new ATOM 0 HE1 HIS A 116 2.221 -8.065 7.483 1.00 0.00 H new ATOM 0 HE2 HIS A 116 3.106 -5.865 6.558 1.00 0.00 H new ATOM 1807 N ALA A 117 5.742 -10.008 0.943 1.00 0.00 N ATOM 1808 CA ALA A 117 6.056 -10.395 -0.427 1.00 0.00 C ATOM 1809 C ALA A 117 7.006 -11.587 -0.456 1.00 0.00 C ATOM 1810 O ALA A 117 7.649 -11.857 -1.471 1.00 0.00 O ATOM 1811 CB ALA A 117 6.657 -9.219 -1.183 1.00 0.00 C ATOM 0 H ALA A 117 6.487 -9.498 1.418 1.00 0.00 H new ATOM 0 HA ALA A 117 5.128 -10.691 -0.917 1.00 0.00 H new ATOM 0 HB1 ALA A 117 6.887 -9.522 -2.204 1.00 0.00 H new ATOM 0 HB2 ALA A 117 5.944 -8.395 -1.201 1.00 0.00 H new ATOM 0 HB3 ALA A 117 7.572 -8.896 -0.686 1.00 0.00 H new ATOM 1817 N THR A 118 7.092 -12.298 0.664 1.00 0.00 N ATOM 1818 CA THR A 118 7.965 -13.460 0.766 1.00 0.00 C ATOM 1819 C THR A 118 7.375 -14.658 0.031 1.00 0.00 C ATOM 1820 O THR A 118 7.320 -15.764 0.568 1.00 0.00 O ATOM 1821 CB THR A 118 8.215 -13.847 2.236 1.00 0.00 C ATOM 1822 OG1 THR A 118 9.338 -14.731 2.326 1.00 0.00 O ATOM 1823 CG2 THR A 118 6.988 -14.516 2.836 1.00 0.00 C ATOM 0 H THR A 118 6.567 -12.089 1.513 1.00 0.00 H new ATOM 0 HA THR A 118 8.913 -13.184 0.304 1.00 0.00 H new ATOM 0 HB THR A 118 8.424 -12.936 2.797 1.00 0.00 H new ATOM 0 HG1 THR A 118 9.149 -15.552 1.826 1.00 0.00 H new ATOM 0 HG21 THR A 118 7.189 -14.780 3.874 1.00 0.00 H new ATOM 0 HG22 THR A 118 6.142 -13.830 2.793 1.00 0.00 H new ATOM 0 HG23 THR A 118 6.753 -15.418 2.271 1.00 0.00 H new ATOM 1831 N LYS A 119 6.935 -14.431 -1.202 1.00 0.00 N ATOM 1832 CA LYS A 119 6.351 -15.492 -2.014 1.00 0.00 C ATOM 1833 C LYS A 119 5.071 -16.023 -1.375 1.00 0.00 C ATOM 1834 O LYS A 119 4.803 -17.225 -1.407 1.00 0.00 O ATOM 1835 CB LYS A 119 7.354 -16.633 -2.198 1.00 0.00 C ATOM 1836 CG LYS A 119 8.283 -16.441 -3.384 1.00 0.00 C ATOM 1837 CD LYS A 119 9.633 -17.097 -3.146 1.00 0.00 C ATOM 1838 CE LYS A 119 10.392 -17.297 -4.449 1.00 0.00 C ATOM 1839 NZ LYS A 119 11.662 -18.046 -4.241 1.00 0.00 N ATOM 0 H LYS A 119 6.972 -13.521 -1.661 1.00 0.00 H new ATOM 0 HA LYS A 119 6.103 -15.074 -2.990 1.00 0.00 H new ATOM 0 HB2 LYS A 119 7.951 -16.730 -1.291 1.00 0.00 H new ATOM 0 HB3 LYS A 119 6.809 -17.569 -2.322 1.00 0.00 H new ATOM 0 HG2 LYS A 119 7.825 -16.863 -4.278 1.00 0.00 H new ATOM 0 HG3 LYS A 119 8.422 -15.376 -3.570 1.00 0.00 H new ATOM 0 HD2 LYS A 119 10.225 -16.480 -2.470 1.00 0.00 H new ATOM 0 HD3 LYS A 119 9.490 -18.060 -2.656 1.00 0.00 H new ATOM 0 HE2 LYS A 119 9.763 -17.838 -5.156 1.00 0.00 H new ATOM 0 HE3 LYS A 119 10.611 -16.327 -4.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 12.150 -18.162 -5.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 12.273 -17.518 -3.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 11.451 -18.982 -3.840 1.00 0.00 H new ATOM 1853 N ARG A 120 4.285 -15.121 -0.797 1.00 0.00 N ATOM 1854 CA ARG A 120 3.034 -15.500 -0.151 1.00 0.00 C ATOM 1855 C ARG A 120 2.373 -16.663 -0.886 1.00 0.00 C ATOM 1856 O ARG A 120 1.926 -17.628 -0.266 1.00 0.00 O ATOM 1857 CB ARG A 120 2.079 -14.306 -0.102 1.00 0.00 C ATOM 1858 CG ARG A 120 1.180 -14.295 1.124 1.00 0.00 C ATOM 1859 CD ARG A 120 1.828 -13.554 2.283 1.00 0.00 C ATOM 1860 NE ARG A 120 0.842 -13.098 3.260 1.00 0.00 N ATOM 1861 CZ ARG A 120 1.129 -12.855 4.534 1.00 0.00 C ATOM 1862 NH1 ARG A 120 2.365 -13.023 4.983 1.00 0.00 N ATOM 1863 NH2 ARG A 120 0.177 -12.443 5.362 1.00 0.00 N ATOM 0 H ARG A 120 4.492 -14.123 -0.763 1.00 0.00 H new ATOM 0 HA ARG A 120 3.261 -15.818 0.867 1.00 0.00 H new ATOM 0 HB2 ARG A 120 2.661 -13.385 -0.123 1.00 0.00 H new ATOM 0 HB3 ARG A 120 1.458 -14.311 -0.998 1.00 0.00 H new ATOM 0 HG2 ARG A 120 0.229 -13.823 0.875 1.00 0.00 H new ATOM 0 HG3 ARG A 120 0.959 -15.319 1.424 1.00 0.00 H new ATOM 0 HD2 ARG A 120 2.549 -14.208 2.774 1.00 0.00 H new ATOM 0 HD3 ARG A 120 2.383 -12.697 1.901 1.00 0.00 H new ATOM 0 HE ARG A 120 -0.119 -12.959 2.947 1.00 0.00 H new ATOM 0 HH11 ARG A 120 3.099 -13.340 4.350 1.00 0.00 H new ATOM 0 HH12 ARG A 120 2.582 -12.835 5.962 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -0.775 -12.313 5.020 1.00 0.00 H new ATOM 0 HH22 ARG A 120 0.398 -12.256 6.340 1.00 0.00 H new ATOM 1877 N SER A 121 2.316 -16.564 -2.210 1.00 0.00 N ATOM 1878 CA SER A 121 1.706 -17.605 -3.029 1.00 0.00 C ATOM 1879 C SER A 121 2.704 -18.150 -4.046 1.00 0.00 C ATOM 1880 O SER A 121 2.515 -18.010 -5.254 1.00 0.00 O ATOM 1881 CB SER A 121 0.472 -17.059 -3.750 1.00 0.00 C ATOM 1882 OG SER A 121 -0.353 -18.112 -4.216 1.00 0.00 O ATOM 0 H SER A 121 2.685 -15.773 -2.739 1.00 0.00 H new ATOM 0 HA SER A 121 1.402 -18.419 -2.371 1.00 0.00 H new ATOM 0 HB2 SER A 121 -0.096 -16.420 -3.073 1.00 0.00 H new ATOM 0 HB3 SER A 121 0.783 -16.437 -4.590 1.00 0.00 H new ATOM 0 HG SER A 121 -1.136 -17.737 -4.672 1.00 0.00 H new ATOM 1888 N ARG A 122 3.767 -18.772 -3.547 1.00 0.00 N ATOM 1889 CA ARG A 122 4.796 -19.338 -4.411 1.00 0.00 C ATOM 1890 C ARG A 122 4.170 -20.083 -5.586 1.00 0.00 C ATOM 1891 O ARG A 122 3.221 -20.849 -5.416 1.00 0.00 O ATOM 1892 CB ARG A 122 5.697 -20.284 -3.615 1.00 0.00 C ATOM 1893 CG ARG A 122 6.968 -20.676 -4.350 1.00 0.00 C ATOM 1894 CD ARG A 122 8.046 -21.149 -3.387 1.00 0.00 C ATOM 1895 NE ARG A 122 9.164 -21.780 -4.083 1.00 0.00 N ATOM 1896 CZ ARG A 122 9.130 -23.021 -4.555 1.00 0.00 C ATOM 1897 NH1 ARG A 122 8.039 -23.760 -4.406 1.00 0.00 N ATOM 1898 NH2 ARG A 122 10.188 -23.525 -5.177 1.00 0.00 N ATOM 0 H ARG A 122 3.938 -18.897 -2.549 1.00 0.00 H new ATOM 0 HA ARG A 122 5.398 -18.518 -4.802 1.00 0.00 H new ATOM 0 HB2 ARG A 122 5.965 -19.809 -2.671 1.00 0.00 H new ATOM 0 HB3 ARG A 122 5.136 -21.186 -3.370 1.00 0.00 H new ATOM 0 HG2 ARG A 122 6.746 -21.467 -5.066 1.00 0.00 H new ATOM 0 HG3 ARG A 122 7.337 -19.824 -4.921 1.00 0.00 H new ATOM 0 HD2 ARG A 122 8.412 -20.301 -2.808 1.00 0.00 H new ATOM 0 HD3 ARG A 122 7.614 -21.856 -2.679 1.00 0.00 H new ATOM 0 HE ARG A 122 10.018 -21.238 -4.214 1.00 0.00 H new ATOM 0 HH11 ARG A 122 7.224 -23.376 -3.928 1.00 0.00 H new ATOM 0 HH12 ARG A 122 8.015 -24.713 -4.769 1.00 0.00 H new ATOM 0 HH21 ARG A 122 11.029 -22.959 -5.293 1.00 0.00 H new ATOM 0 HH22 ARG A 122 10.161 -24.478 -5.539 1.00 0.00 H new ATOM 1912 N THR A 123 4.707 -19.854 -6.780 1.00 0.00 N ATOM 1913 CA THR A 123 4.201 -20.501 -7.984 1.00 0.00 C ATOM 1914 C THR A 123 5.342 -21.041 -8.839 1.00 0.00 C ATOM 1915 O THR A 123 6.488 -20.610 -8.709 1.00 0.00 O ATOM 1916 CB THR A 123 3.355 -19.532 -8.830 1.00 0.00 C ATOM 1917 OG1 THR A 123 2.471 -18.787 -7.985 1.00 0.00 O ATOM 1918 CG2 THR A 123 2.548 -20.288 -9.875 1.00 0.00 C ATOM 0 H THR A 123 5.493 -19.224 -6.939 1.00 0.00 H new ATOM 0 HA THR A 123 3.572 -21.329 -7.657 1.00 0.00 H new ATOM 0 HB THR A 123 4.031 -18.847 -9.342 1.00 0.00 H new ATOM 0 HG1 THR A 123 1.938 -18.172 -8.531 1.00 0.00 H new ATOM 0 HG21 THR A 123 1.958 -19.582 -10.460 1.00 0.00 H new ATOM 0 HG22 THR A 123 3.225 -20.830 -10.535 1.00 0.00 H new ATOM 0 HG23 THR A 123 1.882 -20.994 -9.379 1.00 0.00 H new ATOM 1926 N LYS A 124 5.022 -21.988 -9.715 1.00 0.00 N ATOM 1927 CA LYS A 124 6.019 -22.586 -10.594 1.00 0.00 C ATOM 1928 C LYS A 124 6.213 -21.743 -11.851 1.00 0.00 C ATOM 1929 O LYS A 124 6.167 -22.258 -12.967 1.00 0.00 O ATOM 1930 CB LYS A 124 5.602 -24.007 -10.980 1.00 0.00 C ATOM 1931 CG LYS A 124 5.507 -24.956 -9.798 1.00 0.00 C ATOM 1932 CD LYS A 124 5.697 -26.401 -10.226 1.00 0.00 C ATOM 1933 CE LYS A 124 7.162 -26.806 -10.187 1.00 0.00 C ATOM 1934 NZ LYS A 124 7.841 -26.559 -11.489 1.00 0.00 N ATOM 0 H LYS A 124 4.079 -22.358 -9.835 1.00 0.00 H new ATOM 0 HA LYS A 124 6.965 -22.625 -10.054 1.00 0.00 H new ATOM 0 HB2 LYS A 124 4.636 -23.969 -11.483 1.00 0.00 H new ATOM 0 HB3 LYS A 124 6.320 -24.405 -11.698 1.00 0.00 H new ATOM 0 HG2 LYS A 124 6.262 -24.693 -9.057 1.00 0.00 H new ATOM 0 HG3 LYS A 124 4.536 -24.843 -9.317 1.00 0.00 H new ATOM 0 HD2 LYS A 124 5.120 -27.054 -9.571 1.00 0.00 H new ATOM 0 HD3 LYS A 124 5.308 -26.537 -11.235 1.00 0.00 H new ATOM 0 HE2 LYS A 124 7.672 -26.250 -9.400 1.00 0.00 H new ATOM 0 HE3 LYS A 124 7.240 -27.863 -9.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 8.677 -27.173 -11.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 7.184 -26.767 -12.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 8.137 -25.563 -11.543 1.00 0.00 H new ATOM 1948 N GLU A 125 6.431 -20.446 -11.659 1.00 0.00 N ATOM 1949 CA GLU A 125 6.633 -19.532 -12.778 1.00 0.00 C ATOM 1950 C GLU A 125 7.978 -18.822 -12.665 1.00 0.00 C ATOM 1951 O GLU A 125 8.079 -17.756 -12.058 1.00 0.00 O ATOM 1952 CB GLU A 125 5.503 -18.502 -12.835 1.00 0.00 C ATOM 1953 CG GLU A 125 4.162 -19.092 -13.239 1.00 0.00 C ATOM 1954 CD GLU A 125 3.192 -18.042 -13.747 1.00 0.00 C ATOM 1955 OE1 GLU A 125 3.454 -17.466 -14.824 1.00 0.00 O ATOM 1956 OE2 GLU A 125 2.173 -17.798 -13.069 1.00 0.00 O ATOM 0 H GLU A 125 6.472 -20.004 -10.740 1.00 0.00 H new ATOM 0 HA GLU A 125 6.627 -20.118 -13.697 1.00 0.00 H new ATOM 0 HB2 GLU A 125 5.403 -18.030 -11.858 1.00 0.00 H new ATOM 0 HB3 GLU A 125 5.773 -17.717 -13.542 1.00 0.00 H new ATOM 0 HG2 GLU A 125 4.318 -19.842 -14.014 1.00 0.00 H new ATOM 0 HG3 GLU A 125 3.722 -19.604 -12.383 1.00 0.00 H new ATOM 1963 N GLU A 126 9.009 -19.421 -13.253 1.00 0.00 N ATOM 1964 CA GLU A 126 10.349 -18.846 -13.216 1.00 0.00 C ATOM 1965 C GLU A 126 10.785 -18.395 -14.607 1.00 0.00 C ATOM 1966 O GLU A 126 10.726 -19.163 -15.568 1.00 0.00 O ATOM 1967 CB GLU A 126 11.349 -19.861 -12.660 1.00 0.00 C ATOM 1968 CG GLU A 126 11.369 -21.175 -13.423 1.00 0.00 C ATOM 1969 CD GLU A 126 10.146 -22.028 -13.148 1.00 0.00 C ATOM 1970 OE1 GLU A 126 9.507 -21.827 -12.094 1.00 0.00 O ATOM 1971 OE2 GLU A 126 9.828 -22.897 -13.987 1.00 0.00 O ATOM 0 H GLU A 126 8.942 -20.303 -13.760 1.00 0.00 H new ATOM 0 HA GLU A 126 10.325 -17.975 -12.561 1.00 0.00 H new ATOM 0 HB2 GLU A 126 12.347 -19.424 -12.680 1.00 0.00 H new ATOM 0 HB3 GLU A 126 11.109 -20.060 -11.616 1.00 0.00 H new ATOM 0 HG2 GLU A 126 11.431 -20.969 -14.492 1.00 0.00 H new ATOM 0 HG3 GLU A 126 12.265 -21.734 -13.153 1.00 0.00 H new ATOM 1978 N LEU A 127 11.223 -17.145 -14.707 1.00 0.00 N ATOM 1979 CA LEU A 127 11.670 -16.589 -15.980 1.00 0.00 C ATOM 1980 C LEU A 127 13.192 -16.604 -16.076 1.00 0.00 C ATOM 1981 O LEU A 127 13.888 -16.287 -15.111 1.00 0.00 O ATOM 1982 CB LEU A 127 11.150 -15.160 -16.145 1.00 0.00 C ATOM 1983 CG LEU A 127 9.640 -15.012 -16.333 1.00 0.00 C ATOM 1984 CD1 LEU A 127 9.233 -13.549 -16.254 1.00 0.00 C ATOM 1985 CD2 LEU A 127 9.205 -15.618 -17.659 1.00 0.00 C ATOM 0 H LEU A 127 11.278 -16.497 -13.922 1.00 0.00 H new ATOM 0 HA LEU A 127 11.268 -17.210 -16.781 1.00 0.00 H new ATOM 0 HB2 LEU A 127 11.445 -14.584 -15.268 1.00 0.00 H new ATOM 0 HB3 LEU A 127 11.649 -14.710 -17.004 1.00 0.00 H new ATOM 0 HG LEU A 127 9.139 -15.551 -15.529 1.00 0.00 H new ATOM 0 HD11 LEU A 127 8.155 -13.463 -16.390 1.00 0.00 H new ATOM 0 HD12 LEU A 127 9.509 -13.147 -15.279 1.00 0.00 H new ATOM 0 HD13 LEU A 127 9.743 -12.987 -17.036 1.00 0.00 H new ATOM 0 HD21 LEU A 127 8.127 -15.503 -17.775 1.00 0.00 H new ATOM 0 HD22 LEU A 127 9.715 -15.108 -18.477 1.00 0.00 H new ATOM 0 HD23 LEU A 127 9.461 -16.677 -17.676 1.00 0.00 H new ATOM 1997 N SER A 128 13.702 -16.971 -17.247 1.00 0.00 N ATOM 1998 CA SER A 128 15.142 -17.028 -17.469 1.00 0.00 C ATOM 1999 C SER A 128 15.632 -15.771 -18.180 1.00 0.00 C ATOM 2000 O SER A 128 14.910 -15.173 -18.977 1.00 0.00 O ATOM 2001 CB SER A 128 15.504 -18.267 -18.292 1.00 0.00 C ATOM 2002 OG SER A 128 15.174 -19.456 -17.595 1.00 0.00 O ATOM 0 H SER A 128 13.140 -17.233 -18.057 1.00 0.00 H new ATOM 0 HA SER A 128 15.632 -17.090 -16.497 1.00 0.00 H new ATOM 0 HB2 SER A 128 14.975 -18.242 -19.245 1.00 0.00 H new ATOM 0 HB3 SER A 128 16.570 -18.258 -18.518 1.00 0.00 H new ATOM 0 HG SER A 128 15.413 -20.233 -18.142 1.00 0.00 H new ATOM 2008 N GLY A 129 16.867 -15.375 -17.886 1.00 0.00 N ATOM 2009 CA GLY A 129 17.434 -14.191 -18.505 1.00 0.00 C ATOM 2010 C GLY A 129 18.893 -13.992 -18.147 1.00 0.00 C ATOM 2011 O GLY A 129 19.240 -13.170 -17.298 1.00 0.00 O ATOM 0 H GLY A 129 17.485 -15.853 -17.230 1.00 0.00 H new ATOM 0 HA2 GLY A 129 17.336 -14.269 -19.588 1.00 0.00 H new ATOM 0 HA3 GLY A 129 16.864 -13.315 -18.195 1.00 0.00 H new ATOM 2015 N PRO A 130 19.777 -14.759 -18.802 1.00 0.00 N ATOM 2016 CA PRO A 130 21.222 -14.682 -18.564 1.00 0.00 C ATOM 2017 C PRO A 130 21.825 -13.379 -19.076 1.00 0.00 C ATOM 2018 O PRO A 130 22.211 -13.278 -20.240 1.00 0.00 O ATOM 2019 CB PRO A 130 21.775 -15.873 -19.350 1.00 0.00 C ATOM 2020 CG PRO A 130 20.768 -16.120 -20.421 1.00 0.00 C ATOM 2021 CD PRO A 130 19.435 -15.760 -19.826 1.00 0.00 C ATOM 0 HA PRO A 130 21.462 -14.707 -17.501 1.00 0.00 H new ATOM 0 HB2 PRO A 130 22.755 -15.649 -19.772 1.00 0.00 H new ATOM 0 HB3 PRO A 130 21.896 -16.748 -18.711 1.00 0.00 H new ATOM 0 HG2 PRO A 130 20.979 -15.514 -21.302 1.00 0.00 H new ATOM 0 HG3 PRO A 130 20.785 -17.162 -20.740 1.00 0.00 H new ATOM 0 HD2 PRO A 130 18.757 -15.352 -20.576 1.00 0.00 H new ATOM 0 HD3 PRO A 130 18.942 -16.629 -19.390 1.00 0.00 H new ATOM 2029 N SER A 131 21.903 -12.383 -18.198 1.00 0.00 N ATOM 2030 CA SER A 131 22.457 -11.084 -18.563 1.00 0.00 C ATOM 2031 C SER A 131 23.949 -11.022 -18.249 1.00 0.00 C ATOM 2032 O SER A 131 24.470 -11.843 -17.494 1.00 0.00 O ATOM 2033 CB SER A 131 21.721 -9.966 -17.822 1.00 0.00 C ATOM 2034 OG SER A 131 22.063 -8.695 -18.348 1.00 0.00 O ATOM 0 H SER A 131 21.590 -12.451 -17.230 1.00 0.00 H new ATOM 0 HA SER A 131 22.324 -10.948 -19.636 1.00 0.00 H new ATOM 0 HB2 SER A 131 20.645 -10.119 -17.903 1.00 0.00 H new ATOM 0 HB3 SER A 131 21.970 -10.003 -16.761 1.00 0.00 H new ATOM 0 HG SER A 131 21.579 -7.997 -17.859 1.00 0.00 H new ATOM 2040 N SER A 132 24.630 -10.042 -18.834 1.00 0.00 N ATOM 2041 CA SER A 132 26.062 -9.873 -18.621 1.00 0.00 C ATOM 2042 C SER A 132 26.347 -8.603 -17.826 1.00 0.00 C ATOM 2043 O SER A 132 25.519 -7.695 -17.767 1.00 0.00 O ATOM 2044 CB SER A 132 26.797 -9.825 -19.962 1.00 0.00 C ATOM 2045 OG SER A 132 26.552 -8.602 -20.634 1.00 0.00 O ATOM 0 H SER A 132 24.213 -9.353 -19.459 1.00 0.00 H new ATOM 0 HA SER A 132 26.422 -10.728 -18.048 1.00 0.00 H new ATOM 0 HB2 SER A 132 27.868 -9.945 -19.798 1.00 0.00 H new ATOM 0 HB3 SER A 132 26.475 -10.658 -20.587 1.00 0.00 H new ATOM 0 HG SER A 132 27.034 -8.595 -21.487 1.00 0.00 H new ATOM 2051 N GLY A 133 27.526 -8.547 -17.214 1.00 0.00 N ATOM 2052 CA GLY A 133 27.901 -7.385 -16.430 1.00 0.00 C ATOM 2053 C GLY A 133 28.633 -6.342 -17.251 1.00 0.00 C ATOM 2054 O GLY A 133 29.565 -6.666 -17.988 1.00 0.00 O ATOM 0 H GLY A 133 28.228 -9.286 -17.247 1.00 0.00 H new ATOM 0 HA2 GLY A 133 27.006 -6.939 -15.997 1.00 0.00 H new ATOM 0 HA3 GLY A 133 28.534 -7.699 -15.600 1.00 0.00 H new TER 2058 GLY A 133