USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 785 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 96 LYS NZ :NH3+ -166:sc= -0.0643 (180deg=-0.463) USER MOD Set 1.2: A 100 GLN : amide:sc= 0 X(o=-0.064,f=-0.36) USER MOD Set 2.1: A 27 HIS : no HE2:sc= 0.636 K(o=1.4,f=-1) USER MOD Set 2.2: A 31 TYR OH : rot -118:sc= 0.744 USER MOD Set 3.1: A 17 THR OG1 : rot -66:sc= 0.702 USER MOD Set 3.2: A 18 SER OG : rot 180:sc= -0.0291 USER MOD Set 4.1: A 11 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 115 SER OG : rot -89:sc= -0.613 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 51:sc= 0.604 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -145:sc= 0.176 (180deg=-0.165) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.022 USER MOD Single : A 35 SER OG : rot 180:sc= -0.0802 USER MOD Single : A 38 GLN : amide:sc= -0.0013 X(o=-0.0013,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -153:sc= -0.0459 (180deg=-0.39) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= -0.0473 X(o=-0.047,f=-0.21) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.22 K(o=-0.22,f=-1.5!) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0.22) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 177:sc= -0.507 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.384 K(o=-0.38,f=-2.7!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 CYS SG : rot 66:sc= -0.208 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0597 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -2.38! C(o=-2.4!,f=-6.3!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -57:sc= 0.0395 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -0.292 K(o=-0.29,f=-2.2!) USER MOD Single : A 107 ASN : amide:sc= -0.0142 X(o=-0.014,f=-0.084) USER MOD Single : A 108 SER OG : rot -167:sc= 1.29 USER MOD Single : A 110 THR OG1 : rot 94:sc= 0.999 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 MET CE :methyl 160:sc= -1.19 (180deg=-1.78) 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 124 SER OG : rot 15:sc= 0.451! USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.074 -28.646 16.580 1.00 0.00 N ATOM 2 CA GLY A 1 -15.421 -27.583 15.650 1.00 0.00 C ATOM 3 C GLY A 1 -14.188 -27.102 14.883 1.00 0.00 C ATOM 4 O GLY A 1 -13.816 -25.932 14.969 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.927 -28.955 17.088 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.673 -29.450 16.055 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.373 -28.295 17.263 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.174 -27.941 14.948 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.864 -26.749 16.194 1.00 0.00 H new ATOM 8 N SER A 2 -13.590 -28.029 14.149 1.00 0.00 N ATOM 9 CA SER A 2 -12.407 -27.714 13.365 1.00 0.00 C ATOM 10 C SER A 2 -12.740 -26.649 12.319 1.00 0.00 C ATOM 11 O SER A 2 -12.138 -25.577 12.305 1.00 0.00 O ATOM 12 CB SER A 2 -11.845 -28.967 12.689 1.00 0.00 C ATOM 13 OG SER A 2 -10.486 -29.203 13.047 1.00 0.00 O ATOM 0 H SER A 2 -13.902 -28.998 14.080 1.00 0.00 H new ATOM 0 HA SER A 2 -11.644 -27.325 14.039 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.449 -29.831 12.968 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.922 -28.860 11.607 1.00 0.00 H new ATOM 0 HG SER A 2 -10.165 -30.012 12.597 1.00 0.00 H new ATOM 18 N SER A 3 -13.699 -26.982 11.468 1.00 0.00 N ATOM 19 CA SER A 3 -14.120 -26.068 10.418 1.00 0.00 C ATOM 20 C SER A 3 -15.615 -25.775 10.550 1.00 0.00 C ATOM 21 O SER A 3 -16.438 -26.435 9.916 1.00 0.00 O ATOM 22 CB SER A 3 -13.810 -26.638 9.034 1.00 0.00 C ATOM 23 OG SER A 3 -12.754 -25.931 8.390 1.00 0.00 O ATOM 0 H SER A 3 -14.197 -27.872 11.483 1.00 0.00 H new ATOM 0 HA SER A 3 -13.563 -25.138 10.530 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.538 -27.689 9.128 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.706 -26.594 8.415 1.00 0.00 H new ATOM 0 HG SER A 3 -12.585 -26.326 7.509 1.00 0.00 H new ATOM 28 N GLY A 4 -15.922 -24.786 11.375 1.00 0.00 N ATOM 29 CA GLY A 4 -17.305 -24.398 11.597 1.00 0.00 C ATOM 30 C GLY A 4 -18.075 -24.331 10.276 1.00 0.00 C ATOM 31 O GLY A 4 -18.871 -25.218 9.971 1.00 0.00 O ATOM 0 H GLY A 4 -15.237 -24.241 11.898 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.784 -25.113 12.265 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.339 -23.427 12.092 1.00 0.00 H new ATOM 35 N SER A 5 -17.809 -23.271 9.527 1.00 0.00 N ATOM 36 CA SER A 5 -18.467 -23.077 8.246 1.00 0.00 C ATOM 37 C SER A 5 -17.862 -21.870 7.526 1.00 0.00 C ATOM 38 O SER A 5 -17.354 -21.998 6.412 1.00 0.00 O ATOM 39 CB SER A 5 -19.975 -22.887 8.423 1.00 0.00 C ATOM 40 OG SER A 5 -20.698 -24.088 8.164 1.00 0.00 O ATOM 0 H SER A 5 -17.147 -22.538 9.782 1.00 0.00 H new ATOM 0 HA SER A 5 -18.310 -23.971 7.642 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.181 -22.551 9.439 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.323 -22.102 7.751 1.00 0.00 H new ATOM 0 HG SER A 5 -20.309 -24.822 8.683 1.00 0.00 H new ATOM 45 N SER A 6 -17.937 -20.726 8.189 1.00 0.00 N ATOM 46 CA SER A 6 -17.404 -19.497 7.626 1.00 0.00 C ATOM 47 C SER A 6 -16.546 -18.774 8.666 1.00 0.00 C ATOM 48 O SER A 6 -16.998 -18.522 9.783 1.00 0.00 O ATOM 49 CB SER A 6 -18.527 -18.582 7.135 1.00 0.00 C ATOM 50 OG SER A 6 -18.047 -17.288 6.782 1.00 0.00 O ATOM 0 H SER A 6 -18.359 -20.624 9.112 1.00 0.00 H new ATOM 0 HA SER A 6 -16.783 -19.756 6.768 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.013 -19.036 6.271 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.284 -18.488 7.914 1.00 0.00 H new ATOM 0 HG SER A 6 -18.794 -16.735 6.472 1.00 0.00 H new ATOM 55 N GLY A 7 -15.324 -18.458 8.263 1.00 0.00 N ATOM 56 CA GLY A 7 -14.400 -17.768 9.147 1.00 0.00 C ATOM 57 C GLY A 7 -14.649 -16.259 9.129 1.00 0.00 C ATOM 58 O GLY A 7 -15.643 -15.784 9.677 1.00 0.00 O ATOM 0 H GLY A 7 -14.952 -18.667 7.336 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.512 -18.147 10.163 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.375 -17.975 8.841 1.00 0.00 H new ATOM 62 N GLY A 8 -13.728 -15.545 8.498 1.00 0.00 N ATOM 63 CA GLY A 8 -13.835 -14.100 8.404 1.00 0.00 C ATOM 64 C GLY A 8 -12.558 -13.493 7.818 1.00 0.00 C ATOM 65 O GLY A 8 -11.667 -14.218 7.379 1.00 0.00 O ATOM 0 H GLY A 8 -12.904 -15.942 8.047 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -14.688 -13.835 7.779 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -14.021 -13.680 9.393 1.00 0.00 H new ATOM 69 N PRO A 9 -12.510 -12.134 7.833 1.00 0.00 N ATOM 70 CA PRO A 9 -11.357 -11.420 7.310 1.00 0.00 C ATOM 71 C PRO A 9 -10.175 -11.508 8.277 1.00 0.00 C ATOM 72 O PRO A 9 -10.342 -11.876 9.438 1.00 0.00 O ATOM 73 CB PRO A 9 -11.842 -9.996 7.092 1.00 0.00 C ATOM 74 CG PRO A 9 -13.101 -9.851 7.930 1.00 0.00 C ATOM 75 CD PRO A 9 -13.548 -11.242 8.345 1.00 0.00 C ATOM 0 HA PRO A 9 -10.984 -11.846 6.379 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.084 -9.274 7.398 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -12.051 -9.812 6.038 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -12.906 -9.235 8.808 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -13.884 -9.353 7.359 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.639 -11.322 9.428 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -14.523 -11.487 7.924 1.00 0.00 H new ATOM 80 N LYS A 10 -9.004 -11.161 7.761 1.00 0.00 N ATOM 81 CA LYS A 10 -7.792 -11.197 8.564 1.00 0.00 C ATOM 82 C LYS A 10 -7.278 -9.770 8.764 1.00 0.00 C ATOM 83 O LYS A 10 -7.024 -9.056 7.796 1.00 0.00 O ATOM 84 CB LYS A 10 -6.762 -12.139 7.938 1.00 0.00 C ATOM 85 CG LYS A 10 -5.394 -11.463 7.832 1.00 0.00 C ATOM 86 CD LYS A 10 -4.301 -12.486 7.521 1.00 0.00 C ATOM 87 CE LYS A 10 -2.973 -12.082 8.167 1.00 0.00 C ATOM 88 NZ LYS A 10 -1.834 -12.634 7.399 1.00 0.00 N ATOM 0 H LYS A 10 -8.869 -10.854 6.798 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.001 -11.604 9.553 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.679 -13.044 8.540 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.098 -12.445 6.947 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.419 -10.703 7.051 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.163 -10.952 8.767 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.603 -13.468 7.885 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.174 -12.571 6.442 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.898 -10.995 8.209 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.936 -12.444 9.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.066 -12.890 8.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.143 -13.480 6.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.491 -11.920 6.725 1.00 0.00 H new ATOM 98 N THR A 11 -7.140 -9.397 10.028 1.00 0.00 N ATOM 99 CA THR A 11 -6.662 -8.068 10.369 1.00 0.00 C ATOM 100 C THR A 11 -5.340 -8.158 11.133 1.00 0.00 C ATOM 101 O THR A 11 -5.049 -9.174 11.762 1.00 0.00 O ATOM 102 CB THR A 11 -7.766 -7.352 11.148 1.00 0.00 C ATOM 103 OG1 THR A 11 -8.672 -6.910 10.140 1.00 0.00 O ATOM 104 CG2 THR A 11 -7.277 -6.058 11.803 1.00 0.00 C ATOM 0 H THR A 11 -7.351 -9.993 10.829 1.00 0.00 H new ATOM 0 HA THR A 11 -6.446 -7.484 9.474 1.00 0.00 H new ATOM 0 HB THR A 11 -8.160 -8.020 11.914 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.421 -6.436 10.558 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.100 -5.590 12.343 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.469 -6.285 12.499 1.00 0.00 H new ATOM 0 HG23 THR A 11 -6.913 -5.376 11.034 1.00 0.00 H new ATOM 112 N VAL A 12 -4.572 -7.081 11.053 1.00 0.00 N ATOM 113 CA VAL A 12 -3.288 -7.025 11.730 1.00 0.00 C ATOM 114 C VAL A 12 -3.075 -5.620 12.296 1.00 0.00 C ATOM 115 O VAL A 12 -3.453 -4.631 11.672 1.00 0.00 O ATOM 116 CB VAL A 12 -2.174 -7.458 10.773 1.00 0.00 C ATOM 117 CG1 VAL A 12 -2.077 -8.983 10.699 1.00 0.00 C ATOM 118 CG2 VAL A 12 -2.377 -6.852 9.384 1.00 0.00 C ATOM 0 H VAL A 12 -4.815 -6.240 10.529 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.268 -7.720 12.569 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.230 -7.082 11.166 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.278 -9.264 10.013 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.861 -9.382 11.690 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.023 -9.391 10.342 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.572 -7.176 8.725 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.333 -7.183 8.979 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.371 -5.764 9.457 1.00 0.00 H new ATOM 128 N THR A 13 -2.471 -5.578 13.475 1.00 0.00 N ATOM 129 CA THR A 13 -2.204 -4.310 14.134 1.00 0.00 C ATOM 130 C THR A 13 -0.698 -4.100 14.295 1.00 0.00 C ATOM 131 O THR A 13 0.045 -5.053 14.522 1.00 0.00 O ATOM 132 CB THR A 13 -2.964 -4.299 15.462 1.00 0.00 C ATOM 133 OG1 THR A 13 -4.285 -4.700 15.111 1.00 0.00 O ATOM 134 CG2 THR A 13 -3.140 -2.886 16.025 1.00 0.00 C ATOM 0 H THR A 13 -2.159 -6.401 13.991 1.00 0.00 H new ATOM 0 HA THR A 13 -2.555 -3.470 13.534 1.00 0.00 H new ATOM 0 HB THR A 13 -2.434 -4.915 16.188 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.845 -4.721 15.915 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.685 -2.935 16.967 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.161 -2.438 16.195 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.699 -2.278 15.314 1.00 0.00 H new ATOM 142 N LEU A 14 -0.291 -2.845 14.173 1.00 0.00 N ATOM 143 CA LEU A 14 1.114 -2.497 14.301 1.00 0.00 C ATOM 144 C LEU A 14 1.265 -1.373 15.327 1.00 0.00 C ATOM 145 O LEU A 14 0.423 -0.478 15.401 1.00 0.00 O ATOM 146 CB LEU A 14 1.710 -2.164 12.931 1.00 0.00 C ATOM 147 CG LEU A 14 1.758 -3.313 11.922 1.00 0.00 C ATOM 148 CD1 LEU A 14 0.436 -3.427 11.161 1.00 0.00 C ATOM 149 CD2 LEU A 14 2.953 -3.164 10.978 1.00 0.00 C ATOM 0 H LEU A 14 -0.910 -2.056 13.987 1.00 0.00 H new ATOM 0 HA LEU A 14 1.685 -3.347 14.673 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.134 -1.348 12.495 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.725 -1.794 13.079 1.00 0.00 H new ATOM 0 HG LEU A 14 1.896 -4.245 12.470 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.495 -4.251 10.450 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.374 -3.613 11.866 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.244 -2.498 10.624 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.964 -3.994 10.271 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.871 -2.224 10.433 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.877 -3.169 11.557 1.00 0.00 H new ATOM 160 N LYS A 15 2.342 -1.455 16.094 1.00 0.00 N ATOM 161 CA LYS A 15 2.613 -0.457 17.114 1.00 0.00 C ATOM 162 C LYS A 15 3.754 0.448 16.645 1.00 0.00 C ATOM 163 O LYS A 15 4.886 -0.007 16.485 1.00 0.00 O ATOM 164 CB LYS A 15 2.875 -1.127 18.464 1.00 0.00 C ATOM 165 CG LYS A 15 1.695 -2.010 18.877 1.00 0.00 C ATOM 166 CD LYS A 15 1.023 -1.473 20.141 1.00 0.00 C ATOM 167 CE LYS A 15 0.356 -2.602 20.930 1.00 0.00 C ATOM 168 NZ LYS A 15 0.075 -2.170 22.317 1.00 0.00 N ATOM 0 H LYS A 15 3.038 -2.198 16.029 1.00 0.00 H new ATOM 0 HA LYS A 15 1.741 0.180 17.265 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.781 -1.730 18.405 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.047 -0.365 19.224 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.968 -2.054 18.066 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.042 -3.029 19.050 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.763 -0.975 20.767 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.278 -0.724 19.871 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.572 -2.897 20.440 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.004 -3.478 20.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.377 -2.948 22.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.966 -1.910 22.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.561 -1.347 22.302 1.00 0.00 H new ATOM 178 N ARG A 16 3.418 1.712 16.438 1.00 0.00 N ATOM 179 CA ARG A 16 4.401 2.685 15.990 1.00 0.00 C ATOM 180 C ARG A 16 5.729 2.471 16.719 1.00 0.00 C ATOM 181 O ARG A 16 5.821 2.690 17.925 1.00 0.00 O ATOM 182 CB ARG A 16 3.914 4.114 16.238 1.00 0.00 C ATOM 183 CG ARG A 16 4.780 5.126 15.486 1.00 0.00 C ATOM 184 CD ARG A 16 3.921 6.035 14.606 1.00 0.00 C ATOM 185 NE ARG A 16 4.630 7.309 14.347 1.00 0.00 N ATOM 186 CZ ARG A 16 4.086 8.357 13.717 1.00 0.00 C ATOM 187 NH1 ARG A 16 2.822 8.292 13.275 1.00 0.00 N ATOM 188 NH2 ARG A 16 4.805 9.474 13.527 1.00 0.00 N ATOM 0 H ARG A 16 2.479 2.086 16.572 1.00 0.00 H new ATOM 0 HA ARG A 16 4.544 2.544 14.919 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.876 4.209 15.918 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.939 4.331 17.306 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.342 5.729 16.199 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.508 4.600 14.869 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.697 5.536 13.663 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.968 6.233 15.096 1.00 0.00 H new ATOM 0 HE ARG A 16 5.594 7.393 14.669 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.274 7.444 13.419 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.408 9.091 12.795 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.767 9.525 13.863 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.390 10.272 13.047 1.00 0.00 H new ATOM 199 N THR A 17 6.724 2.045 15.954 1.00 0.00 N ATOM 200 CA THR A 17 8.044 1.800 16.512 1.00 0.00 C ATOM 201 C THR A 17 9.049 2.815 15.970 1.00 0.00 C ATOM 202 O THR A 17 9.812 2.511 15.053 1.00 0.00 O ATOM 203 CB THR A 17 8.421 0.348 16.210 1.00 0.00 C ATOM 204 OG1 THR A 17 9.843 0.333 16.304 1.00 0.00 O ATOM 205 CG2 THR A 17 8.139 -0.040 14.757 1.00 0.00 C ATOM 0 H THR A 17 6.643 1.863 14.954 1.00 0.00 H new ATOM 0 HA THR A 17 8.048 1.934 17.594 1.00 0.00 H new ATOM 0 HB THR A 17 7.871 -0.317 16.876 1.00 0.00 H new ATOM 0 HG1 THR A 17 10.224 0.874 15.581 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.424 -1.080 14.596 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.076 0.081 14.548 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.715 0.602 14.091 1.00 0.00 H new ATOM 213 N SER A 18 9.020 4.003 16.558 1.00 0.00 N ATOM 214 CA SER A 18 9.920 5.065 16.144 1.00 0.00 C ATOM 215 C SER A 18 9.414 5.708 14.851 1.00 0.00 C ATOM 216 O SER A 18 8.996 6.863 14.850 1.00 0.00 O ATOM 217 CB SER A 18 11.345 4.538 15.953 1.00 0.00 C ATOM 218 OG SER A 18 11.731 3.656 17.004 1.00 0.00 O ATOM 0 H SER A 18 8.387 4.253 17.318 1.00 0.00 H new ATOM 0 HA SER A 18 9.943 5.818 16.931 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.414 4.017 14.998 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.040 5.377 15.910 1.00 0.00 H new ATOM 0 HG SER A 18 12.645 3.339 16.846 1.00 0.00 H new ATOM 223 N GLN A 19 9.468 4.927 13.781 1.00 0.00 N ATOM 224 CA GLN A 19 9.019 5.404 12.483 1.00 0.00 C ATOM 225 C GLN A 19 8.390 4.261 11.686 1.00 0.00 C ATOM 226 O GLN A 19 8.763 3.101 11.856 1.00 0.00 O ATOM 227 CB GLN A 19 10.173 6.045 11.707 1.00 0.00 C ATOM 228 CG GLN A 19 9.673 7.205 10.844 1.00 0.00 C ATOM 229 CD GLN A 19 10.821 8.147 10.475 1.00 0.00 C ATOM 230 OE1 GLN A 19 11.434 8.040 9.426 1.00 0.00 O ATOM 231 NE2 GLN A 19 11.079 9.074 11.394 1.00 0.00 N ATOM 0 H GLN A 19 9.816 3.968 13.786 1.00 0.00 H new ATOM 0 HA GLN A 19 8.260 6.170 12.641 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.930 6.405 12.404 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.652 5.297 11.075 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.211 6.816 9.937 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.903 7.758 11.382 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.528 9.109 12.252 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.828 9.749 11.241 1.00 0.00 H new ATOM 238 N GLY A 20 7.447 4.627 10.832 1.00 0.00 N ATOM 239 CA GLY A 20 6.761 3.647 10.008 1.00 0.00 C ATOM 240 C GLY A 20 6.506 2.356 10.788 1.00 0.00 C ATOM 241 O GLY A 20 5.895 2.382 11.855 1.00 0.00 O ATOM 0 H GLY A 20 7.141 5.590 10.692 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.814 4.059 9.660 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.358 3.429 9.123 1.00 0.00 H new ATOM 245 N PHE A 21 6.988 1.257 10.225 1.00 0.00 N ATOM 246 CA PHE A 21 6.820 -0.041 10.857 1.00 0.00 C ATOM 247 C PHE A 21 7.770 -1.074 10.245 1.00 0.00 C ATOM 248 O PHE A 21 8.645 -0.726 9.454 1.00 0.00 O ATOM 249 CB PHE A 21 5.377 -0.479 10.601 1.00 0.00 C ATOM 250 CG PHE A 21 4.332 0.370 11.326 1.00 0.00 C ATOM 251 CD1 PHE A 21 4.035 0.116 12.630 1.00 0.00 C ATOM 252 CD2 PHE A 21 3.698 1.377 10.669 1.00 0.00 C ATOM 253 CE1 PHE A 21 3.065 0.904 13.303 1.00 0.00 C ATOM 254 CE2 PHE A 21 2.728 2.166 11.343 1.00 0.00 C ATOM 255 CZ PHE A 21 2.431 1.912 12.646 1.00 0.00 C ATOM 0 H PHE A 21 7.494 1.239 9.340 1.00 0.00 H new ATOM 0 HA PHE A 21 7.040 0.031 11.922 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.181 -0.441 9.529 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.263 -1.518 10.909 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.537 -0.685 13.152 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.932 1.577 9.634 1.00 0.00 H new ATOM 0 HE1 PHE A 21 2.830 0.703 14.338 1.00 0.00 H new ATOM 0 HE2 PHE A 21 2.226 2.967 10.821 1.00 0.00 H new ATOM 0 HZ PHE A 21 1.692 2.510 13.158 1.00 0.00 H new ATOM 264 N GLY A 22 7.566 -2.324 10.638 1.00 0.00 N ATOM 265 CA GLY A 22 8.392 -3.409 10.140 1.00 0.00 C ATOM 266 C GLY A 22 7.789 -4.020 8.872 1.00 0.00 C ATOM 267 O GLY A 22 7.522 -5.219 8.823 1.00 0.00 O ATOM 0 H GLY A 22 6.840 -2.608 11.296 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.395 -3.039 9.928 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.491 -4.177 10.907 1.00 0.00 H new ATOM 271 N PHE A 23 7.592 -3.166 7.878 1.00 0.00 N ATOM 272 CA PHE A 23 7.027 -3.606 6.614 1.00 0.00 C ATOM 273 C PHE A 23 6.922 -2.443 5.625 1.00 0.00 C ATOM 274 O PHE A 23 7.025 -1.281 6.016 1.00 0.00 O ATOM 275 CB PHE A 23 5.622 -4.135 6.913 1.00 0.00 C ATOM 276 CG PHE A 23 4.549 -3.045 6.976 1.00 0.00 C ATOM 277 CD1 PHE A 23 4.370 -2.332 8.119 1.00 0.00 C ATOM 278 CD2 PHE A 23 3.773 -2.792 5.887 1.00 0.00 C ATOM 279 CE1 PHE A 23 3.372 -1.322 8.177 1.00 0.00 C ATOM 280 CE2 PHE A 23 2.777 -1.782 5.946 1.00 0.00 C ATOM 281 CZ PHE A 23 2.598 -1.068 7.089 1.00 0.00 C ATOM 0 H PHE A 23 7.814 -2.171 7.923 1.00 0.00 H new ATOM 0 HA PHE A 23 7.663 -4.370 6.168 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.346 -4.859 6.146 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.640 -4.669 7.863 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.986 -2.533 8.983 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.915 -3.359 4.979 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.229 -0.756 9.086 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.161 -1.581 5.082 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.841 -0.299 7.132 1.00 0.00 H new ATOM 290 N THR A 24 6.718 -2.796 4.365 1.00 0.00 N ATOM 291 CA THR A 24 6.598 -1.797 3.317 1.00 0.00 C ATOM 292 C THR A 24 5.783 -2.347 2.146 1.00 0.00 C ATOM 293 O THR A 24 5.627 -3.559 2.009 1.00 0.00 O ATOM 294 CB THR A 24 8.009 -1.355 2.922 1.00 0.00 C ATOM 295 OG1 THR A 24 7.798 -0.208 2.104 1.00 0.00 O ATOM 296 CG2 THR A 24 8.696 -2.355 1.990 1.00 0.00 C ATOM 0 H THR A 24 6.633 -3.761 4.046 1.00 0.00 H new ATOM 0 HA THR A 24 6.053 -0.920 3.667 1.00 0.00 H new ATOM 0 HB THR A 24 8.612 -1.222 3.820 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.662 0.144 1.805 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.694 -1.994 1.740 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.774 -3.322 2.488 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.110 -2.463 1.077 1.00 0.00 H new ATOM 304 N LEU A 25 5.286 -1.430 1.330 1.00 0.00 N ATOM 305 CA LEU A 25 4.490 -1.808 0.173 1.00 0.00 C ATOM 306 C LEU A 25 5.274 -1.497 -1.102 1.00 0.00 C ATOM 307 O LEU A 25 6.362 -0.926 -1.044 1.00 0.00 O ATOM 308 CB LEU A 25 3.114 -1.141 0.228 1.00 0.00 C ATOM 309 CG LEU A 25 2.356 -1.278 1.550 1.00 0.00 C ATOM 310 CD1 LEU A 25 2.353 -2.729 2.034 1.00 0.00 C ATOM 311 CD2 LEU A 25 2.915 -0.323 2.606 1.00 0.00 C ATOM 0 H LEU A 25 5.419 -0.425 1.446 1.00 0.00 H new ATOM 0 HA LEU A 25 4.298 -2.881 0.176 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.237 -0.080 0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.497 -1.560 -0.567 1.00 0.00 H new ATOM 0 HG LEU A 25 1.318 -0.994 1.377 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.808 -2.797 2.975 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.870 -3.360 1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.379 -3.065 2.184 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.358 -0.442 3.535 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.966 -0.550 2.782 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.820 0.704 2.254 1.00 0.00 H new ATOM 322 N ARG A 26 4.690 -1.884 -2.227 1.00 0.00 N ATOM 323 CA ARG A 26 5.320 -1.654 -3.516 1.00 0.00 C ATOM 324 C ARG A 26 4.345 -0.957 -4.466 1.00 0.00 C ATOM 325 O ARG A 26 3.159 -1.279 -4.490 1.00 0.00 O ATOM 326 CB ARG A 26 5.782 -2.969 -4.146 1.00 0.00 C ATOM 327 CG ARG A 26 4.591 -3.883 -4.443 1.00 0.00 C ATOM 328 CD ARG A 26 5.038 -5.140 -5.193 1.00 0.00 C ATOM 329 NE ARG A 26 4.338 -5.228 -6.493 1.00 0.00 N ATOM 330 CZ ARG A 26 4.747 -4.614 -7.612 1.00 0.00 C ATOM 331 NH1 ARG A 26 5.857 -3.863 -7.595 1.00 0.00 N ATOM 332 NH2 ARG A 26 4.048 -4.751 -8.746 1.00 0.00 N ATOM 0 H ARG A 26 3.787 -2.356 -2.272 1.00 0.00 H new ATOM 0 HA ARG A 26 6.190 -1.018 -3.351 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.326 -2.763 -5.068 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.475 -3.475 -3.473 1.00 0.00 H new ATOM 0 HG2 ARG A 26 4.104 -4.166 -3.510 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.853 -3.344 -5.037 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.116 -5.115 -5.352 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.825 -6.026 -4.595 1.00 0.00 H new ATOM 0 HE ARG A 26 3.490 -5.792 -6.541 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.389 -3.759 -6.731 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.169 -3.395 -8.446 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.204 -5.323 -8.759 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.360 -4.283 -9.597 1.00 0.00 H new ATOM 343 N HIS A 27 4.882 -0.012 -5.225 1.00 0.00 N ATOM 344 CA HIS A 27 4.073 0.734 -6.174 1.00 0.00 C ATOM 345 C HIS A 27 4.966 1.690 -6.968 1.00 0.00 C ATOM 346 O HIS A 27 5.068 2.870 -6.635 1.00 0.00 O ATOM 347 CB HIS A 27 2.923 1.448 -5.465 1.00 0.00 C ATOM 348 CG HIS A 27 1.742 1.750 -6.358 1.00 0.00 C ATOM 349 ND1 HIS A 27 0.517 1.124 -6.217 1.00 0.00 N ATOM 350 CD2 HIS A 27 1.614 2.618 -7.403 1.00 0.00 C ATOM 351 CE1 HIS A 27 -0.304 1.599 -7.141 1.00 0.00 C ATOM 352 NE2 HIS A 27 0.378 2.525 -7.876 1.00 0.00 N ATOM 0 H HIS A 27 5.867 0.254 -5.202 1.00 0.00 H new ATOM 0 HA HIS A 27 3.613 0.047 -6.884 1.00 0.00 H new ATOM 0 HB2 HIS A 27 2.586 0.833 -4.631 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.294 2.382 -5.043 1.00 0.00 H new ATOM 0 HD1 HIS A 27 0.285 0.417 -5.520 1.00 0.00 H new ATOM 0 HD2 HIS A 27 2.388 3.270 -7.781 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -1.333 1.305 -7.287 1.00 0.00 H new ATOM 359 N PHE A 28 5.590 1.145 -8.002 1.00 0.00 N ATOM 360 CA PHE A 28 6.471 1.936 -8.845 1.00 0.00 C ATOM 361 C PHE A 28 5.857 2.151 -10.230 1.00 0.00 C ATOM 362 O PHE A 28 6.183 3.119 -10.915 1.00 0.00 O ATOM 363 CB PHE A 28 7.774 1.149 -8.994 1.00 0.00 C ATOM 364 CG PHE A 28 8.580 1.508 -10.244 1.00 0.00 C ATOM 365 CD1 PHE A 28 8.677 2.806 -10.640 1.00 0.00 C ATOM 366 CD2 PHE A 28 9.199 0.531 -10.960 1.00 0.00 C ATOM 367 CE1 PHE A 28 9.425 3.140 -11.799 1.00 0.00 C ATOM 368 CE2 PHE A 28 9.947 0.865 -12.119 1.00 0.00 C ATOM 369 CZ PHE A 28 10.043 2.163 -12.515 1.00 0.00 C ATOM 0 H PHE A 28 5.503 0.166 -8.275 1.00 0.00 H new ATOM 0 HA PHE A 28 6.637 2.915 -8.395 1.00 0.00 H new ATOM 0 HB2 PHE A 28 8.393 1.321 -8.114 1.00 0.00 H new ATOM 0 HB3 PHE A 28 7.542 0.084 -9.017 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.185 3.582 -10.073 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.121 -0.500 -10.646 1.00 0.00 H new ATOM 0 HE1 PHE A 28 9.503 4.171 -12.112 1.00 0.00 H new ATOM 0 HE2 PHE A 28 10.440 0.089 -12.686 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.610 2.418 -13.398 1.00 0.00 H new ATOM 378 N ILE A 29 4.979 1.231 -10.602 1.00 0.00 N ATOM 379 CA ILE A 29 4.317 1.307 -11.893 1.00 0.00 C ATOM 380 C ILE A 29 4.015 2.770 -12.222 1.00 0.00 C ATOM 381 O ILE A 29 4.434 3.276 -13.263 1.00 0.00 O ATOM 382 CB ILE A 29 3.081 0.405 -11.915 1.00 0.00 C ATOM 383 CG1 ILE A 29 3.480 -1.073 -11.900 1.00 0.00 C ATOM 384 CG2 ILE A 29 2.177 0.743 -13.103 1.00 0.00 C ATOM 385 CD1 ILE A 29 2.245 -1.974 -11.853 1.00 0.00 C ATOM 0 H ILE A 29 4.711 0.429 -10.032 1.00 0.00 H new ATOM 0 HA ILE A 29 4.972 0.932 -12.679 1.00 0.00 H new ATOM 0 HB ILE A 29 2.505 0.592 -11.009 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.069 -1.303 -12.788 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.114 -1.273 -11.036 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.306 0.088 -13.095 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.851 1.781 -13.029 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.729 0.602 -14.032 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.557 -3.018 -11.843 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.671 -1.758 -10.952 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.626 -1.788 -12.731 1.00 0.00 H new ATOM 396 N VAL A 30 3.292 3.412 -11.313 1.00 0.00 N ATOM 397 CA VAL A 30 2.931 4.807 -11.495 1.00 0.00 C ATOM 398 C VAL A 30 2.309 4.993 -12.879 1.00 0.00 C ATOM 399 O VAL A 30 2.231 4.047 -13.661 1.00 0.00 O ATOM 400 CB VAL A 30 4.153 5.697 -11.262 1.00 0.00 C ATOM 401 CG1 VAL A 30 5.122 5.617 -12.444 1.00 0.00 C ATOM 402 CG2 VAL A 30 3.733 7.145 -10.993 1.00 0.00 C ATOM 0 H VAL A 30 2.948 2.991 -10.450 1.00 0.00 H new ATOM 0 HA VAL A 30 2.183 5.107 -10.762 1.00 0.00 H new ATOM 0 HB VAL A 30 4.673 5.329 -10.377 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.982 6.259 -12.253 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.458 4.588 -12.570 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.617 5.947 -13.352 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.620 7.757 -10.831 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.180 7.529 -11.850 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.100 7.181 -10.106 1.00 0.00 H new ATOM 412 N TYR A 31 1.883 6.220 -13.142 1.00 0.00 N ATOM 413 CA TYR A 31 1.270 6.543 -14.419 1.00 0.00 C ATOM 414 C TYR A 31 0.784 7.994 -14.443 1.00 0.00 C ATOM 415 O TYR A 31 -0.414 8.252 -14.349 1.00 0.00 O ATOM 416 CB TYR A 31 0.065 5.611 -14.555 1.00 0.00 C ATOM 417 CG TYR A 31 -0.463 5.077 -13.223 1.00 0.00 C ATOM 418 CD1 TYR A 31 -1.072 5.933 -12.328 1.00 0.00 C ATOM 419 CD2 TYR A 31 -0.332 3.738 -12.915 1.00 0.00 C ATOM 420 CE1 TYR A 31 -1.568 5.431 -11.074 1.00 0.00 C ATOM 421 CE2 TYR A 31 -0.829 3.235 -11.661 1.00 0.00 C ATOM 422 CZ TYR A 31 -1.423 4.106 -10.802 1.00 0.00 C ATOM 423 OH TYR A 31 -1.891 3.631 -9.617 1.00 0.00 O ATOM 0 H TYR A 31 1.950 7.003 -12.492 1.00 0.00 H new ATOM 0 HA TYR A 31 1.987 6.421 -15.231 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.738 6.144 -15.065 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.341 4.768 -15.189 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -1.176 6.981 -12.569 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.144 3.067 -13.615 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -2.045 6.091 -10.365 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.732 2.189 -11.408 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.146 3.271 -9.092 1.00 0.00 H new ATOM 432 N PRO A 32 1.766 8.926 -14.574 1.00 0.00 N ATOM 433 CA PRO A 32 1.450 10.343 -14.611 1.00 0.00 C ATOM 434 C PRO A 32 0.849 10.736 -15.963 1.00 0.00 C ATOM 435 O PRO A 32 1.104 10.081 -16.973 1.00 0.00 O ATOM 436 CB PRO A 32 2.765 11.048 -14.319 1.00 0.00 C ATOM 437 CG PRO A 32 3.855 10.023 -14.588 1.00 0.00 C ATOM 438 CD PRO A 32 3.196 8.656 -14.687 1.00 0.00 C ATOM 0 HA PRO A 32 0.692 10.623 -13.880 1.00 0.00 H new ATOM 0 HB2 PRO A 32 2.888 11.925 -14.955 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.801 11.395 -13.286 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.382 10.260 -15.512 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.594 10.033 -13.787 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.434 8.169 -15.633 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.538 7.993 -13.892 1.00 0.00 H new ATOM 443 N PRO A 33 0.044 11.831 -15.938 1.00 0.00 N ATOM 444 CA PRO A 33 -0.594 12.319 -17.148 1.00 0.00 C ATOM 445 C PRO A 33 0.412 13.037 -18.048 1.00 0.00 C ATOM 446 O PRO A 33 0.886 12.472 -19.033 1.00 0.00 O ATOM 447 CB PRO A 33 -1.713 13.227 -16.665 1.00 0.00 C ATOM 448 CG PRO A 33 -1.369 13.581 -15.228 1.00 0.00 C ATOM 449 CD PRO A 33 -0.279 12.632 -14.760 1.00 0.00 C ATOM 0 HA PRO A 33 -0.991 11.514 -17.767 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.783 14.123 -17.282 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.678 12.723 -16.723 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.029 14.615 -15.161 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -2.250 13.493 -14.592 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.594 13.177 -14.400 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.625 12.006 -13.938 1.00 0.00 H new ATOM 454 N GLU A 34 0.711 14.274 -17.678 1.00 0.00 N ATOM 455 CA GLU A 34 1.653 15.076 -18.440 1.00 0.00 C ATOM 456 C GLU A 34 2.686 15.712 -17.505 1.00 0.00 C ATOM 457 O GLU A 34 3.847 15.306 -17.492 1.00 0.00 O ATOM 458 CB GLU A 34 0.926 16.144 -19.261 1.00 0.00 C ATOM 459 CG GLU A 34 -0.354 15.583 -19.879 1.00 0.00 C ATOM 460 CD GLU A 34 -1.084 16.652 -20.696 1.00 0.00 C ATOM 461 OE1 GLU A 34 -0.382 17.542 -21.219 1.00 0.00 O ATOM 462 OE2 GLU A 34 -2.327 16.552 -20.776 1.00 0.00 O ATOM 0 H GLU A 34 0.317 14.740 -16.861 1.00 0.00 H new ATOM 0 HA GLU A 34 2.176 14.422 -19.138 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.684 16.995 -18.624 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.583 16.512 -20.049 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.111 14.734 -20.519 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.010 15.212 -19.091 1.00 0.00 H new ATOM 467 N SER A 35 2.225 16.696 -16.749 1.00 0.00 N ATOM 468 CA SER A 35 3.094 17.391 -15.815 1.00 0.00 C ATOM 469 C SER A 35 2.381 17.575 -14.474 1.00 0.00 C ATOM 470 O SER A 35 2.538 18.604 -13.820 1.00 0.00 O ATOM 471 CB SER A 35 3.532 18.746 -16.373 1.00 0.00 C ATOM 472 OG SER A 35 4.615 19.305 -15.633 1.00 0.00 O ATOM 0 H SER A 35 1.261 17.029 -16.764 1.00 0.00 H new ATOM 0 HA SER A 35 3.987 16.785 -15.664 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.827 18.630 -17.416 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.688 19.435 -16.356 1.00 0.00 H new ATOM 0 HG SER A 35 4.866 20.169 -16.022 1.00 0.00 H new ATOM 477 N ALA A 36 1.611 16.561 -14.106 1.00 0.00 N ATOM 478 CA ALA A 36 0.873 16.599 -12.855 1.00 0.00 C ATOM 479 C ALA A 36 1.828 16.954 -11.714 1.00 0.00 C ATOM 480 O ALA A 36 1.500 17.771 -10.855 1.00 0.00 O ATOM 481 CB ALA A 36 0.174 15.256 -12.634 1.00 0.00 C ATOM 0 H ALA A 36 1.482 15.709 -14.652 1.00 0.00 H new ATOM 0 HA ALA A 36 0.101 17.367 -12.889 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.380 15.284 -11.696 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.515 15.065 -13.456 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.918 14.461 -12.592 1.00 0.00 H new ATOM 487 N ILE A 37 2.992 16.321 -11.741 1.00 0.00 N ATOM 488 CA ILE A 37 3.997 16.558 -10.719 1.00 0.00 C ATOM 489 C ILE A 37 3.370 16.362 -9.337 1.00 0.00 C ATOM 490 O ILE A 37 3.080 15.237 -8.938 1.00 0.00 O ATOM 491 CB ILE A 37 4.642 17.932 -10.912 1.00 0.00 C ATOM 492 CG1 ILE A 37 5.291 18.043 -12.293 1.00 0.00 C ATOM 493 CG2 ILE A 37 5.633 18.236 -9.787 1.00 0.00 C ATOM 494 CD1 ILE A 37 5.592 19.502 -12.643 1.00 0.00 C ATOM 0 H ILE A 37 3.261 15.644 -12.455 1.00 0.00 H new ATOM 0 HA ILE A 37 4.808 15.835 -10.807 1.00 0.00 H new ATOM 0 HB ILE A 37 3.858 18.687 -10.862 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.214 17.463 -12.313 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.629 17.614 -13.045 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.077 19.218 -9.949 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.111 18.227 -8.830 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.418 17.480 -9.779 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.053 19.552 -13.630 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.664 20.074 -12.647 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.274 19.921 -11.903 1.00 0.00 H new ATOM 505 N GLN A 38 3.180 17.477 -8.646 1.00 0.00 N ATOM 506 CA GLN A 38 2.593 17.441 -7.317 1.00 0.00 C ATOM 507 C GLN A 38 3.566 16.803 -6.324 1.00 0.00 C ATOM 508 O GLN A 38 3.811 15.598 -6.375 1.00 0.00 O ATOM 509 CB GLN A 38 1.256 16.698 -7.328 1.00 0.00 C ATOM 510 CG GLN A 38 0.103 17.638 -6.969 1.00 0.00 C ATOM 511 CD GLN A 38 -0.259 18.539 -8.151 1.00 0.00 C ATOM 512 OE1 GLN A 38 0.021 19.726 -8.170 1.00 0.00 O ATOM 513 NE2 GLN A 38 -0.898 17.909 -9.133 1.00 0.00 N ATOM 0 H GLN A 38 3.422 18.410 -8.981 1.00 0.00 H new ATOM 0 HA GLN A 38 2.399 18.465 -6.999 1.00 0.00 H new ATOM 0 HB2 GLN A 38 1.084 16.266 -8.314 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.290 15.871 -6.619 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.768 17.054 -6.672 1.00 0.00 H new ATOM 0 HG3 GLN A 38 0.382 18.251 -6.112 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.101 16.913 -9.053 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.185 18.422 -9.966 1.00 0.00 H new ATOM 520 N PHE A 39 4.095 17.638 -5.442 1.00 0.00 N ATOM 521 CA PHE A 39 5.035 17.172 -4.439 1.00 0.00 C ATOM 522 C PHE A 39 4.432 17.261 -3.036 1.00 0.00 C ATOM 523 O PHE A 39 4.528 18.298 -2.380 1.00 0.00 O ATOM 524 CB PHE A 39 6.261 18.086 -4.513 1.00 0.00 C ATOM 525 CG PHE A 39 7.597 17.342 -4.467 1.00 0.00 C ATOM 526 CD1 PHE A 39 8.093 16.765 -5.595 1.00 0.00 C ATOM 527 CD2 PHE A 39 8.287 17.256 -3.299 1.00 0.00 C ATOM 528 CE1 PHE A 39 9.333 16.074 -5.552 1.00 0.00 C ATOM 529 CE2 PHE A 39 9.528 16.566 -3.256 1.00 0.00 C ATOM 530 CZ PHE A 39 10.024 15.990 -4.384 1.00 0.00 C ATOM 0 H PHE A 39 3.889 18.636 -5.402 1.00 0.00 H new ATOM 0 HA PHE A 39 5.292 16.130 -4.629 1.00 0.00 H new ATOM 0 HB2 PHE A 39 6.213 18.668 -5.434 1.00 0.00 H new ATOM 0 HB3 PHE A 39 6.223 18.795 -3.686 1.00 0.00 H new ATOM 0 HD1 PHE A 39 7.544 16.832 -6.523 1.00 0.00 H new ATOM 0 HD2 PHE A 39 7.892 17.712 -2.404 1.00 0.00 H new ATOM 0 HE1 PHE A 39 9.727 15.615 -6.447 1.00 0.00 H new ATOM 0 HE2 PHE A 39 10.077 16.499 -2.328 1.00 0.00 H new ATOM 0 HZ PHE A 39 10.968 15.465 -4.352 1.00 0.00 H new ATOM 539 N SER A 40 3.822 16.162 -2.617 1.00 0.00 N ATOM 540 CA SER A 40 3.202 16.104 -1.304 1.00 0.00 C ATOM 541 C SER A 40 1.995 17.043 -1.254 1.00 0.00 C ATOM 542 O SER A 40 2.116 18.195 -0.841 1.00 0.00 O ATOM 543 CB SER A 40 4.203 16.469 -0.206 1.00 0.00 C ATOM 544 OG SER A 40 4.144 15.562 0.893 1.00 0.00 O ATOM 0 H SER A 40 3.744 15.304 -3.164 1.00 0.00 H new ATOM 0 HA SER A 40 2.867 15.082 -1.128 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.211 16.471 -0.621 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.001 17.480 0.147 1.00 0.00 H new ATOM 0 HG SER A 40 4.799 15.828 1.572 1.00 0.00 H new ATOM 549 N TYR A 41 0.857 16.515 -1.681 1.00 0.00 N ATOM 550 CA TYR A 41 -0.371 17.292 -1.689 1.00 0.00 C ATOM 551 C TYR A 41 -1.003 17.336 -0.297 1.00 0.00 C ATOM 552 O TYR A 41 -0.675 16.519 0.563 1.00 0.00 O ATOM 553 CB TYR A 41 -1.323 16.566 -2.643 1.00 0.00 C ATOM 554 CG TYR A 41 -2.708 17.206 -2.749 1.00 0.00 C ATOM 555 CD1 TYR A 41 -2.841 18.485 -3.253 1.00 0.00 C ATOM 556 CD2 TYR A 41 -3.824 16.507 -2.337 1.00 0.00 C ATOM 557 CE1 TYR A 41 -4.146 19.086 -3.351 1.00 0.00 C ATOM 558 CE2 TYR A 41 -5.129 17.109 -2.435 1.00 0.00 C ATOM 559 CZ TYR A 41 -5.224 18.370 -2.938 1.00 0.00 C ATOM 560 OH TYR A 41 -6.455 18.939 -3.031 1.00 0.00 O ATOM 0 H TYR A 41 0.760 15.559 -2.024 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.172 18.319 -1.995 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.872 16.534 -3.635 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.436 15.534 -2.311 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -1.968 19.034 -3.573 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.719 15.508 -1.941 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -4.265 20.085 -3.744 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -6.011 16.573 -2.117 1.00 0.00 H new ATOM 0 HH TYR A 41 -7.131 18.311 -2.700 1.00 0.00 H new ATOM 569 N LYS A 42 -1.895 18.298 -0.115 1.00 0.00 N ATOM 570 CA LYS A 42 -2.574 18.460 1.158 1.00 0.00 C ATOM 571 C LYS A 42 -3.694 17.422 1.270 1.00 0.00 C ATOM 572 O LYS A 42 -4.411 17.173 0.302 1.00 0.00 O ATOM 573 CB LYS A 42 -3.053 19.903 1.330 1.00 0.00 C ATOM 574 CG LYS A 42 -2.132 20.677 2.274 1.00 0.00 C ATOM 575 CD LYS A 42 -2.375 20.275 3.731 1.00 0.00 C ATOM 576 CE LYS A 42 -2.966 21.438 4.530 1.00 0.00 C ATOM 577 NZ LYS A 42 -2.000 22.557 4.606 1.00 0.00 N ATOM 0 H LYS A 42 -2.163 18.974 -0.830 1.00 0.00 H new ATOM 0 HA LYS A 42 -1.886 18.277 1.983 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.084 20.398 0.359 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.070 19.908 1.723 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.092 20.487 2.009 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.301 21.747 2.156 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.053 19.422 3.768 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.437 19.957 4.185 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.889 21.778 4.061 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.224 21.103 5.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.177 23.111 5.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.032 22.179 4.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.112 23.169 3.773 1.00 0.00 H new ATOM 587 N ASP A 43 -3.807 16.847 2.457 1.00 0.00 N ATOM 588 CA ASP A 43 -4.828 15.842 2.708 1.00 0.00 C ATOM 589 C ASP A 43 -4.742 15.388 4.166 1.00 0.00 C ATOM 590 O ASP A 43 -3.977 14.481 4.493 1.00 0.00 O ATOM 591 CB ASP A 43 -4.623 14.616 1.818 1.00 0.00 C ATOM 592 CG ASP A 43 -3.278 13.908 1.991 1.00 0.00 C ATOM 593 OD1 ASP A 43 -2.263 14.631 2.081 1.00 0.00 O ATOM 594 OD2 ASP A 43 -3.296 12.658 2.029 1.00 0.00 O ATOM 0 H ASP A 43 -3.209 17.057 3.256 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.800 16.286 2.492 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.421 13.902 2.020 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.725 14.921 0.776 1.00 0.00 H new ATOM 598 N GLU A 44 -5.537 16.037 5.002 1.00 0.00 N ATOM 599 CA GLU A 44 -5.561 15.711 6.418 1.00 0.00 C ATOM 600 C GLU A 44 -6.988 15.808 6.962 1.00 0.00 C ATOM 601 O GLU A 44 -7.637 16.845 6.830 1.00 0.00 O ATOM 602 CB GLU A 44 -4.611 16.615 7.206 1.00 0.00 C ATOM 603 CG GLU A 44 -3.169 16.112 7.111 1.00 0.00 C ATOM 604 CD GLU A 44 -2.371 16.926 6.089 1.00 0.00 C ATOM 605 OE1 GLU A 44 -2.810 16.955 4.920 1.00 0.00 O ATOM 606 OE2 GLU A 44 -1.341 17.502 6.503 1.00 0.00 O ATOM 0 H GLU A 44 -6.170 16.788 4.727 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.216 14.684 6.539 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.671 17.633 6.822 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.920 16.650 8.251 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.691 16.180 8.088 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.165 15.060 6.826 1.00 0.00 H new ATOM 611 N GLU A 45 -7.434 14.714 7.563 1.00 0.00 N ATOM 612 CA GLU A 45 -8.772 14.664 8.127 1.00 0.00 C ATOM 613 C GLU A 45 -9.768 15.358 7.195 1.00 0.00 C ATOM 614 O GLU A 45 -9.975 16.566 7.292 1.00 0.00 O ATOM 615 CB GLU A 45 -8.802 15.287 9.524 1.00 0.00 C ATOM 616 CG GLU A 45 -9.814 14.574 10.422 1.00 0.00 C ATOM 617 CD GLU A 45 -10.757 15.575 11.092 1.00 0.00 C ATOM 618 OE1 GLU A 45 -10.307 16.216 12.065 1.00 0.00 O ATOM 619 OE2 GLU A 45 -11.907 15.679 10.613 1.00 0.00 O ATOM 0 H GLU A 45 -6.893 13.856 7.671 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.065 13.619 8.225 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.810 15.231 9.972 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.058 16.344 9.449 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.393 13.864 9.831 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.287 14.000 11.184 1.00 0.00 H new ATOM 624 N ASN A 46 -10.357 14.563 6.314 1.00 0.00 N ATOM 625 CA ASN A 46 -11.326 15.085 5.366 1.00 0.00 C ATOM 626 C ASN A 46 -12.493 14.102 5.241 1.00 0.00 C ATOM 627 O ASN A 46 -12.330 12.908 5.482 1.00 0.00 O ATOM 628 CB ASN A 46 -10.703 15.257 3.979 1.00 0.00 C ATOM 629 CG ASN A 46 -10.299 16.713 3.737 1.00 0.00 C ATOM 630 OD1 ASN A 46 -11.046 17.509 3.195 1.00 0.00 O ATOM 631 ND2 ASN A 46 -9.077 17.015 4.167 1.00 0.00 N ATOM 0 H ASN A 46 -10.182 13.561 6.237 1.00 0.00 H new ATOM 0 HA ASN A 46 -11.666 16.054 5.732 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.829 14.613 3.887 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -11.414 14.941 3.215 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.715 17.961 4.051 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -8.502 16.300 4.613 1.00 0.00 H new ATOM 637 N GLY A 47 -13.642 14.644 4.865 1.00 0.00 N ATOM 638 CA GLY A 47 -14.835 13.829 4.705 1.00 0.00 C ATOM 639 C GLY A 47 -14.688 12.867 3.525 1.00 0.00 C ATOM 640 O GLY A 47 -13.995 11.857 3.625 1.00 0.00 O ATOM 0 H GLY A 47 -13.772 15.636 4.667 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -15.019 13.264 5.619 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -15.701 14.472 4.549 1.00 0.00 H new ATOM 644 N ASN A 48 -15.352 13.216 2.432 1.00 0.00 N ATOM 645 CA ASN A 48 -15.304 12.396 1.234 1.00 0.00 C ATOM 646 C ASN A 48 -15.373 13.299 0.000 1.00 0.00 C ATOM 647 O ASN A 48 -16.318 14.070 -0.157 1.00 0.00 O ATOM 648 CB ASN A 48 -16.490 11.430 1.179 1.00 0.00 C ATOM 649 CG ASN A 48 -16.020 9.978 1.291 1.00 0.00 C ATOM 650 OD1 ASN A 48 -15.075 9.553 0.647 1.00 0.00 O ATOM 651 ND2 ASN A 48 -16.731 9.244 2.142 1.00 0.00 N ATOM 0 H ASN A 48 -15.926 14.055 2.352 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.375 11.826 1.253 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -17.184 11.655 1.989 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -17.034 11.569 0.245 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -16.497 8.262 2.287 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -17.510 9.663 2.649 1.00 0.00 H new ATOM 657 N ARG A 49 -14.359 13.173 -0.843 1.00 0.00 N ATOM 658 CA ARG A 49 -14.292 13.968 -2.057 1.00 0.00 C ATOM 659 C ARG A 49 -14.228 13.057 -3.285 1.00 0.00 C ATOM 660 O ARG A 49 -14.105 11.841 -3.154 1.00 0.00 O ATOM 661 CB ARG A 49 -13.068 14.887 -2.048 1.00 0.00 C ATOM 662 CG ARG A 49 -13.449 16.312 -2.452 1.00 0.00 C ATOM 663 CD ARG A 49 -12.416 17.320 -1.945 1.00 0.00 C ATOM 664 NE ARG A 49 -11.995 18.212 -3.048 1.00 0.00 N ATOM 665 CZ ARG A 49 -12.809 19.082 -3.662 1.00 0.00 C ATOM 666 NH1 ARG A 49 -14.089 19.183 -3.283 1.00 0.00 N ATOM 667 NH2 ARG A 49 -12.341 19.853 -4.654 1.00 0.00 N ATOM 0 H ARG A 49 -13.577 12.532 -0.709 1.00 0.00 H new ATOM 0 HA ARG A 49 -15.192 14.581 -2.101 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -12.622 14.894 -1.054 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.314 14.500 -2.733 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.525 16.378 -3.537 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -14.431 16.558 -2.048 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.840 17.909 -1.132 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.551 16.794 -1.541 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.025 18.162 -3.360 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -14.445 18.598 -2.527 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.708 19.845 -3.750 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.365 19.778 -4.942 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.961 20.515 -5.121 1.00 0.00 H new ATOM 678 N GLY A 50 -14.315 13.682 -4.450 1.00 0.00 N ATOM 679 CA GLY A 50 -14.269 12.943 -5.701 1.00 0.00 C ATOM 680 C GLY A 50 -14.693 13.827 -6.875 1.00 0.00 C ATOM 681 O GLY A 50 -15.244 14.909 -6.677 1.00 0.00 O ATOM 0 H GLY A 50 -14.417 14.692 -4.554 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.259 12.568 -5.869 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -14.925 12.075 -5.639 1.00 0.00 H new ATOM 685 N GLY A 51 -14.419 13.333 -8.074 1.00 0.00 N ATOM 686 CA GLY A 51 -14.765 14.064 -9.281 1.00 0.00 C ATOM 687 C GLY A 51 -15.487 13.160 -10.283 1.00 0.00 C ATOM 688 O GLY A 51 -15.994 12.101 -9.914 1.00 0.00 O ATOM 0 H GLY A 51 -13.962 12.436 -8.235 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -15.401 14.912 -9.027 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -13.861 14.469 -9.737 1.00 0.00 H new ATOM 692 N LYS A 52 -15.513 13.612 -11.528 1.00 0.00 N ATOM 693 CA LYS A 52 -16.165 12.856 -12.584 1.00 0.00 C ATOM 694 C LYS A 52 -15.271 12.848 -13.826 1.00 0.00 C ATOM 695 O LYS A 52 -14.864 13.904 -14.309 1.00 0.00 O ATOM 696 CB LYS A 52 -17.571 13.401 -12.842 1.00 0.00 C ATOM 697 CG LYS A 52 -18.631 12.324 -12.595 1.00 0.00 C ATOM 698 CD LYS A 52 -19.314 12.530 -11.242 1.00 0.00 C ATOM 699 CE LYS A 52 -19.282 11.247 -10.411 1.00 0.00 C ATOM 700 NZ LYS A 52 -20.367 11.252 -9.405 1.00 0.00 N ATOM 0 H LYS A 52 -15.093 14.492 -11.829 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.301 11.818 -12.282 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -17.758 14.256 -12.193 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -17.643 13.759 -13.869 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -19.376 12.352 -13.391 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -18.167 11.338 -12.626 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -18.816 13.333 -10.698 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -20.347 12.842 -11.396 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -19.388 10.381 -11.064 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -18.317 11.154 -9.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -20.330 10.373 -8.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -20.248 12.067 -8.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -21.286 11.319 -9.886 1.00 0.00 H new ATOM 710 N GLN A 53 -14.992 11.645 -14.306 1.00 0.00 N ATOM 711 CA GLN A 53 -14.153 11.486 -15.482 1.00 0.00 C ATOM 712 C GLN A 53 -14.060 10.009 -15.871 1.00 0.00 C ATOM 713 O GLN A 53 -13.803 9.155 -15.022 1.00 0.00 O ATOM 714 CB GLN A 53 -12.763 12.081 -15.249 1.00 0.00 C ATOM 715 CG GLN A 53 -12.647 13.469 -15.884 1.00 0.00 C ATOM 716 CD GLN A 53 -11.279 13.659 -16.541 1.00 0.00 C ATOM 717 OE1 GLN A 53 -10.337 12.922 -16.297 1.00 0.00 O ATOM 718 NE2 GLN A 53 -11.221 14.685 -17.384 1.00 0.00 N ATOM 0 H GLN A 53 -15.332 10.772 -13.902 1.00 0.00 H new ATOM 0 HA GLN A 53 -14.611 12.031 -16.308 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -12.567 12.149 -14.179 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -12.005 11.420 -15.670 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -13.433 13.599 -16.628 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -12.798 14.235 -15.123 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -12.047 15.262 -17.543 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.351 14.895 -17.872 1.00 0.00 H new ATOM 725 N ARG A 54 -14.271 9.752 -17.153 1.00 0.00 N ATOM 726 CA ARG A 54 -14.214 8.394 -17.664 1.00 0.00 C ATOM 727 C ARG A 54 -13.595 8.379 -19.064 1.00 0.00 C ATOM 728 O ARG A 54 -14.067 9.073 -19.963 1.00 0.00 O ATOM 729 CB ARG A 54 -15.608 7.769 -17.723 1.00 0.00 C ATOM 730 CG ARG A 54 -15.750 6.643 -16.696 1.00 0.00 C ATOM 731 CD ARG A 54 -17.218 6.267 -16.494 1.00 0.00 C ATOM 732 NE ARG A 54 -17.651 6.636 -15.127 1.00 0.00 N ATOM 733 CZ ARG A 54 -18.903 6.488 -14.669 1.00 0.00 C ATOM 734 NH1 ARG A 54 -19.851 5.979 -15.466 1.00 0.00 N ATOM 735 NH2 ARG A 54 -19.204 6.850 -13.414 1.00 0.00 N ATOM 0 H ARG A 54 -14.482 10.462 -17.854 1.00 0.00 H new ATOM 0 HA ARG A 54 -13.595 7.809 -16.983 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -16.361 8.534 -17.535 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -15.793 7.378 -18.724 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -15.190 5.769 -17.029 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.317 6.956 -15.746 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -17.838 6.778 -17.231 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -17.353 5.197 -16.651 1.00 0.00 H new ATOM 0 HE ARG A 54 -16.954 7.027 -14.494 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -19.621 5.704 -16.421 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -20.803 5.866 -15.118 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -18.481 7.238 -12.808 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -20.156 6.738 -13.065 1.00 0.00 H new ATOM 746 N ASN A 55 -12.548 7.579 -19.204 1.00 0.00 N ATOM 747 CA ASN A 55 -11.860 7.465 -20.479 1.00 0.00 C ATOM 748 C ASN A 55 -10.625 6.576 -20.309 1.00 0.00 C ATOM 749 O ASN A 55 -10.567 5.478 -20.858 1.00 0.00 O ATOM 750 CB ASN A 55 -11.392 8.833 -20.978 1.00 0.00 C ATOM 751 CG ASN A 55 -11.817 9.063 -22.429 1.00 0.00 C ATOM 752 OD1 ASN A 55 -12.938 9.446 -22.722 1.00 0.00 O ATOM 753 ND2 ASN A 55 -10.863 8.807 -23.319 1.00 0.00 N ATOM 0 H ASN A 55 -12.160 7.004 -18.456 1.00 0.00 H new ATOM 0 HA ASN A 55 -12.556 7.038 -21.200 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -11.808 9.617 -20.345 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.307 8.901 -20.898 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -11.048 8.929 -24.315 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.946 8.489 -23.006 1.00 0.00 H new ATOM 759 N ARG A 56 -9.669 7.086 -19.546 1.00 0.00 N ATOM 760 CA ARG A 56 -8.439 6.352 -19.297 1.00 0.00 C ATOM 761 C ARG A 56 -8.656 5.313 -18.196 1.00 0.00 C ATOM 762 O ARG A 56 -9.378 5.565 -17.233 1.00 0.00 O ATOM 763 CB ARG A 56 -7.310 7.297 -18.884 1.00 0.00 C ATOM 764 CG ARG A 56 -5.952 6.594 -18.959 1.00 0.00 C ATOM 765 CD ARG A 56 -5.759 5.921 -20.319 1.00 0.00 C ATOM 766 NE ARG A 56 -4.324 5.915 -20.681 1.00 0.00 N ATOM 767 CZ ARG A 56 -3.829 5.326 -21.778 1.00 0.00 C ATOM 768 NH1 ARG A 56 -4.649 4.691 -22.626 1.00 0.00 N ATOM 769 NH2 ARG A 56 -2.513 5.371 -22.026 1.00 0.00 N ATOM 0 H ARG A 56 -9.721 7.998 -19.092 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.157 5.851 -20.223 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.307 8.172 -19.534 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.483 7.655 -17.869 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.154 7.317 -18.790 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.880 5.849 -18.167 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.139 4.900 -20.286 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.333 6.450 -21.080 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.671 6.389 -20.057 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.651 4.656 -22.437 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.272 4.243 -23.461 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.888 5.853 -21.380 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.136 4.923 -22.861 1.00 0.00 H new ATOM 780 N LEU A 57 -8.015 4.166 -18.374 1.00 0.00 N ATOM 781 CA LEU A 57 -8.128 3.088 -17.407 1.00 0.00 C ATOM 782 C LEU A 57 -6.876 3.064 -16.527 1.00 0.00 C ATOM 783 O LEU A 57 -6.042 3.965 -16.605 1.00 0.00 O ATOM 784 CB LEU A 57 -8.408 1.761 -18.115 1.00 0.00 C ATOM 785 CG LEU A 57 -9.883 1.406 -18.317 1.00 0.00 C ATOM 786 CD1 LEU A 57 -10.552 1.066 -16.983 1.00 0.00 C ATOM 787 CD2 LEU A 57 -10.619 2.525 -19.058 1.00 0.00 C ATOM 0 H LEU A 57 -7.416 3.961 -19.174 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.979 3.256 -16.746 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -7.923 1.784 -19.091 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.937 0.961 -17.544 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.938 0.515 -18.942 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -11.599 0.817 -17.154 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.046 0.214 -16.529 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.487 1.924 -16.314 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -11.665 2.248 -19.189 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -10.557 3.447 -18.479 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -10.159 2.678 -20.034 1.00 0.00 H new ATOM 798 N GLU A 58 -6.783 2.023 -15.714 1.00 0.00 N ATOM 799 CA GLU A 58 -5.647 1.870 -14.822 1.00 0.00 C ATOM 800 C GLU A 58 -5.034 0.475 -14.977 1.00 0.00 C ATOM 801 O GLU A 58 -5.688 -0.441 -15.474 1.00 0.00 O ATOM 802 CB GLU A 58 -6.050 2.133 -13.369 1.00 0.00 C ATOM 803 CG GLU A 58 -6.823 3.446 -13.245 1.00 0.00 C ATOM 804 CD GLU A 58 -7.283 3.677 -11.804 1.00 0.00 C ATOM 805 OE1 GLU A 58 -8.307 3.065 -11.430 1.00 0.00 O ATOM 806 OE2 GLU A 58 -6.601 4.460 -11.109 1.00 0.00 O ATOM 0 H GLU A 58 -7.476 1.277 -15.654 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.894 2.609 -15.095 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.663 1.310 -13.003 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.159 2.170 -12.742 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.193 4.275 -13.567 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.688 3.427 -13.908 1.00 0.00 H new ATOM 811 N PRO A 59 -3.755 0.356 -14.533 1.00 0.00 N ATOM 812 CA PRO A 59 -3.048 -0.908 -14.617 1.00 0.00 C ATOM 813 C PRO A 59 -3.545 -1.887 -13.551 1.00 0.00 C ATOM 814 O PRO A 59 -4.236 -2.855 -13.865 1.00 0.00 O ATOM 815 CB PRO A 59 -1.579 -0.551 -14.455 1.00 0.00 C ATOM 816 CG PRO A 59 -1.555 0.832 -13.824 1.00 0.00 C ATOM 817 CD PRO A 59 -2.950 1.422 -13.939 1.00 0.00 C ATOM 0 HA PRO A 59 -3.217 -1.421 -15.564 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -1.068 -1.278 -13.824 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.068 -0.550 -15.418 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -1.252 0.769 -12.779 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.829 1.469 -14.329 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -3.338 1.715 -12.963 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -2.952 2.315 -14.564 1.00 0.00 H new ATOM 822 N MET A 60 -3.174 -1.602 -12.312 1.00 0.00 N ATOM 823 CA MET A 60 -3.574 -2.444 -11.198 1.00 0.00 C ATOM 824 C MET A 60 -3.628 -1.643 -9.895 1.00 0.00 C ATOM 825 O MET A 60 -2.748 -0.825 -9.629 1.00 0.00 O ATOM 826 CB MET A 60 -2.581 -3.599 -11.048 1.00 0.00 C ATOM 827 CG MET A 60 -2.877 -4.711 -12.055 1.00 0.00 C ATOM 828 SD MET A 60 -2.507 -6.301 -11.334 1.00 0.00 S ATOM 829 CE MET A 60 -1.061 -6.742 -12.283 1.00 0.00 C ATOM 0 H MET A 60 -2.600 -0.799 -12.055 1.00 0.00 H new ATOM 0 HA MET A 60 -4.571 -2.835 -11.403 1.00 0.00 H new ATOM 0 HB2 MET A 60 -1.565 -3.231 -11.195 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.632 -3.998 -10.035 1.00 0.00 H new ATOM 0 HG2 MET A 60 -3.925 -4.673 -12.354 1.00 0.00 H new ATOM 0 HG3 MET A 60 -2.283 -4.564 -12.957 1.00 0.00 H new ATOM 0 HE1 MET A 60 -0.696 -7.717 -11.959 1.00 0.00 H new ATOM 0 HE2 MET A 60 -1.319 -6.785 -13.341 1.00 0.00 H new ATOM 0 HE3 MET A 60 -0.283 -5.994 -12.129 1.00 0.00 H new ATOM 837 N ASP A 61 -4.667 -1.905 -9.117 1.00 0.00 N ATOM 838 CA ASP A 61 -4.845 -1.219 -7.850 1.00 0.00 C ATOM 839 C ASP A 61 -4.712 -2.226 -6.705 1.00 0.00 C ATOM 840 O ASP A 61 -5.709 -2.772 -6.235 1.00 0.00 O ATOM 841 CB ASP A 61 -6.234 -0.581 -7.759 1.00 0.00 C ATOM 842 CG ASP A 61 -7.381 -1.456 -8.268 1.00 0.00 C ATOM 843 OD1 ASP A 61 -7.921 -2.223 -7.442 1.00 0.00 O ATOM 844 OD2 ASP A 61 -7.692 -1.338 -9.473 1.00 0.00 O ATOM 0 H ASP A 61 -5.395 -2.584 -9.340 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.085 -0.441 -7.779 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.430 -0.320 -6.719 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.228 0.350 -8.326 1.00 0.00 H new ATOM 848 N THR A 62 -3.473 -2.443 -6.292 1.00 0.00 N ATOM 849 CA THR A 62 -3.196 -3.374 -5.211 1.00 0.00 C ATOM 850 C THR A 62 -2.045 -2.862 -4.346 1.00 0.00 C ATOM 851 O THR A 62 -1.243 -2.042 -4.793 1.00 0.00 O ATOM 852 CB THR A 62 -2.926 -4.748 -5.831 1.00 0.00 C ATOM 853 OG1 THR A 62 -3.893 -4.856 -6.872 1.00 0.00 O ATOM 854 CG2 THR A 62 -3.273 -5.896 -4.881 1.00 0.00 C ATOM 0 H THR A 62 -2.649 -1.990 -6.686 1.00 0.00 H new ATOM 0 HA THR A 62 -4.049 -3.465 -4.538 1.00 0.00 H new ATOM 0 HB THR A 62 -1.877 -4.817 -6.117 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.755 -5.694 -7.361 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.063 -6.848 -5.369 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.673 -5.813 -3.975 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.331 -5.847 -4.622 1.00 0.00 H new ATOM 862 N ILE A 63 -1.998 -3.364 -3.122 1.00 0.00 N ATOM 863 CA ILE A 63 -0.956 -2.968 -2.188 1.00 0.00 C ATOM 864 C ILE A 63 0.174 -3.998 -2.224 1.00 0.00 C ATOM 865 O ILE A 63 1.292 -3.683 -2.631 1.00 0.00 O ATOM 866 CB ILE A 63 -1.543 -2.747 -0.793 1.00 0.00 C ATOM 867 CG1 ILE A 63 -2.722 -1.774 -0.841 1.00 0.00 C ATOM 868 CG2 ILE A 63 -0.464 -2.290 0.191 1.00 0.00 C ATOM 869 CD1 ILE A 63 -2.449 -0.628 -1.820 1.00 0.00 C ATOM 0 H ILE A 63 -2.665 -4.042 -2.754 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.524 -2.011 -2.482 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.927 -3.701 -0.431 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.625 -2.306 -1.141 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.906 -1.370 0.155 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.909 -2.140 1.175 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.314 -3.050 0.256 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.028 -1.353 -0.156 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.303 0.049 -1.835 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.559 -0.083 -1.504 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.290 -1.033 -2.819 1.00 0.00 H new ATOM 880 N PHE A 64 -0.154 -5.206 -1.791 1.00 0.00 N ATOM 881 CA PHE A 64 0.821 -6.283 -1.769 1.00 0.00 C ATOM 882 C PHE A 64 2.070 -5.876 -0.987 1.00 0.00 C ATOM 883 O PHE A 64 2.869 -5.069 -1.461 1.00 0.00 O ATOM 884 CB PHE A 64 1.211 -6.563 -3.221 1.00 0.00 C ATOM 885 CG PHE A 64 0.100 -7.210 -4.051 1.00 0.00 C ATOM 886 CD1 PHE A 64 -0.596 -8.265 -3.549 1.00 0.00 C ATOM 887 CD2 PHE A 64 -0.191 -6.731 -5.289 1.00 0.00 C ATOM 888 CE1 PHE A 64 -1.627 -8.866 -4.319 1.00 0.00 C ATOM 889 CE2 PHE A 64 -1.222 -7.332 -6.060 1.00 0.00 C ATOM 890 CZ PHE A 64 -1.919 -8.388 -5.557 1.00 0.00 C ATOM 0 H PHE A 64 -1.081 -5.463 -1.453 1.00 0.00 H new ATOM 0 HA PHE A 64 0.394 -7.162 -1.286 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.505 -5.626 -3.694 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.085 -7.214 -3.232 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.365 -8.646 -2.565 1.00 0.00 H new ATOM 0 HD2 PHE A 64 0.362 -5.893 -5.687 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.180 -9.704 -3.920 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.453 -6.952 -7.044 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.703 -8.845 -6.142 1.00 0.00 H new ATOM 899 N VAL A 65 2.202 -6.452 0.200 1.00 0.00 N ATOM 900 CA VAL A 65 3.341 -6.158 1.052 1.00 0.00 C ATOM 901 C VAL A 65 4.632 -6.348 0.254 1.00 0.00 C ATOM 902 O VAL A 65 4.652 -7.074 -0.739 1.00 0.00 O ATOM 903 CB VAL A 65 3.286 -7.021 2.315 1.00 0.00 C ATOM 904 CG1 VAL A 65 4.506 -6.771 3.204 1.00 0.00 C ATOM 905 CG2 VAL A 65 1.986 -6.783 3.086 1.00 0.00 C ATOM 0 H VAL A 65 1.538 -7.121 0.591 1.00 0.00 H new ATOM 0 HA VAL A 65 3.313 -5.120 1.382 1.00 0.00 H new ATOM 0 HB VAL A 65 3.305 -8.066 2.007 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.442 -7.397 4.094 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.414 -7.016 2.653 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.532 -5.722 3.499 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.973 -7.408 3.979 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.922 -5.734 3.377 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.136 -7.036 2.453 1.00 0.00 H new ATOM 915 N LYS A 66 5.680 -5.682 0.716 1.00 0.00 N ATOM 916 CA LYS A 66 6.972 -5.768 0.058 1.00 0.00 C ATOM 917 C LYS A 66 7.962 -6.485 0.977 1.00 0.00 C ATOM 918 O LYS A 66 8.553 -7.492 0.594 1.00 0.00 O ATOM 919 CB LYS A 66 7.440 -4.381 -0.387 1.00 0.00 C ATOM 920 CG LYS A 66 8.956 -4.354 -0.595 1.00 0.00 C ATOM 921 CD LYS A 66 9.352 -5.145 -1.843 1.00 0.00 C ATOM 922 CE LYS A 66 10.573 -4.523 -2.523 1.00 0.00 C ATOM 923 NZ LYS A 66 10.152 -3.574 -3.577 1.00 0.00 N ATOM 0 H LYS A 66 5.660 -5.080 1.539 1.00 0.00 H new ATOM 0 HA LYS A 66 6.896 -6.361 -0.853 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.937 -4.104 -1.314 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.159 -3.641 0.362 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.295 -3.323 -0.691 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.454 -4.773 0.279 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.570 -6.177 -1.569 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.516 -5.171 -2.542 1.00 0.00 H new ATOM 0 HE2 LYS A 66 11.185 -4.006 -1.783 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.193 -5.307 -2.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.993 -3.161 -4.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.587 -4.077 -4.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.579 -2.816 -3.153 1.00 0.00 H new ATOM 933 N GLN A 67 8.112 -5.937 2.174 1.00 0.00 N ATOM 934 CA GLN A 67 9.020 -6.513 3.152 1.00 0.00 C ATOM 935 C GLN A 67 8.363 -6.541 4.535 1.00 0.00 C ATOM 936 O GLN A 67 7.301 -5.953 4.733 1.00 0.00 O ATOM 937 CB GLN A 67 10.342 -5.746 3.189 1.00 0.00 C ATOM 938 CG GLN A 67 10.194 -4.435 3.964 1.00 0.00 C ATOM 939 CD GLN A 67 11.058 -4.444 5.226 1.00 0.00 C ATOM 940 OE1 GLN A 67 11.935 -5.273 5.405 1.00 0.00 O ATOM 941 NE2 GLN A 67 10.761 -3.477 6.092 1.00 0.00 N ATOM 0 H GLN A 67 7.620 -5.101 2.489 1.00 0.00 H new ATOM 0 HA GLN A 67 9.240 -7.538 2.855 1.00 0.00 H new ATOM 0 HB2 GLN A 67 11.111 -6.363 3.654 1.00 0.00 H new ATOM 0 HB3 GLN A 67 10.673 -5.536 2.172 1.00 0.00 H new ATOM 0 HG2 GLN A 67 10.482 -3.598 3.328 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.149 -4.285 4.235 1.00 0.00 H new ATOM 0 HE21 GLN A 67 10.014 -2.815 5.881 1.00 0.00 H new ATOM 0 HE22 GLN A 67 11.280 -3.398 6.967 1.00 0.00 H new ATOM 948 N VAL A 68 9.022 -7.231 5.454 1.00 0.00 N ATOM 949 CA VAL A 68 8.517 -7.343 6.812 1.00 0.00 C ATOM 950 C VAL A 68 9.686 -7.585 7.768 1.00 0.00 C ATOM 951 O VAL A 68 10.370 -8.601 7.672 1.00 0.00 O ATOM 952 CB VAL A 68 7.449 -8.438 6.883 1.00 0.00 C ATOM 953 CG1 VAL A 68 7.260 -8.925 8.321 1.00 0.00 C ATOM 954 CG2 VAL A 68 6.125 -7.952 6.290 1.00 0.00 C ATOM 0 H VAL A 68 9.902 -7.718 5.285 1.00 0.00 H new ATOM 0 HA VAL A 68 8.034 -6.415 7.119 1.00 0.00 H new ATOM 0 HB VAL A 68 7.793 -9.282 6.285 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.496 -9.702 8.344 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.201 -9.329 8.695 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.948 -8.091 8.950 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.384 -8.749 6.353 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.773 -7.084 6.848 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.273 -7.676 5.246 1.00 0.00 H new ATOM 964 N LYS A 69 9.877 -6.633 8.669 1.00 0.00 N ATOM 965 CA LYS A 69 10.952 -6.728 9.642 1.00 0.00 C ATOM 966 C LYS A 69 10.808 -8.034 10.425 1.00 0.00 C ATOM 967 O LYS A 69 9.771 -8.285 11.036 1.00 0.00 O ATOM 968 CB LYS A 69 10.987 -5.480 10.527 1.00 0.00 C ATOM 969 CG LYS A 69 12.415 -5.168 10.979 1.00 0.00 C ATOM 970 CD LYS A 69 12.875 -6.147 12.061 1.00 0.00 C ATOM 971 CE LYS A 69 14.372 -5.998 12.335 1.00 0.00 C ATOM 972 NZ LYS A 69 14.628 -5.935 13.791 1.00 0.00 N ATOM 0 H LYS A 69 9.305 -5.792 8.746 1.00 0.00 H new ATOM 0 HA LYS A 69 11.919 -6.760 9.140 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.581 -4.630 9.979 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.350 -5.630 11.399 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.090 -5.221 10.125 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.464 -4.148 11.361 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.314 -5.970 12.979 1.00 0.00 H new ATOM 0 HD3 LYS A 69 12.659 -7.168 11.748 1.00 0.00 H new ATOM 0 HE2 LYS A 69 14.913 -6.839 11.901 1.00 0.00 H new ATOM 0 HE3 LYS A 69 14.748 -5.095 11.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 15.649 -5.834 13.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 14.127 -5.119 14.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.288 -6.808 14.241 1.00 0.00 H new ATOM 982 N GLU A 70 11.866 -8.831 10.385 1.00 0.00 N ATOM 983 CA GLU A 70 11.871 -10.105 11.083 1.00 0.00 C ATOM 984 C GLU A 70 11.943 -9.881 12.595 1.00 0.00 C ATOM 985 O GLU A 70 13.023 -9.932 13.181 1.00 0.00 O ATOM 986 CB GLU A 70 13.023 -10.989 10.604 1.00 0.00 C ATOM 987 CG GLU A 70 12.610 -12.462 10.578 1.00 0.00 C ATOM 988 CD GLU A 70 13.761 -13.362 11.035 1.00 0.00 C ATOM 989 OE1 GLU A 70 14.837 -13.270 10.407 1.00 0.00 O ATOM 990 OE2 GLU A 70 13.537 -14.121 12.003 1.00 0.00 O ATOM 0 H GLU A 70 12.726 -8.619 9.880 1.00 0.00 H new ATOM 0 HA GLU A 70 10.940 -10.625 10.856 1.00 0.00 H new ATOM 0 HB2 GLU A 70 13.335 -10.677 9.607 1.00 0.00 H new ATOM 0 HB3 GLU A 70 13.883 -10.860 11.262 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.746 -12.613 11.226 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.304 -12.740 9.569 1.00 0.00 H new ATOM 995 N GLY A 71 10.782 -9.638 13.181 1.00 0.00 N ATOM 996 CA GLY A 71 10.700 -9.406 14.614 1.00 0.00 C ATOM 997 C GLY A 71 10.056 -8.051 14.914 1.00 0.00 C ATOM 998 O GLY A 71 9.972 -7.642 16.071 1.00 0.00 O ATOM 0 H GLY A 71 9.889 -9.596 12.691 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.119 -10.201 15.082 1.00 0.00 H new ATOM 0 HA3 GLY A 71 11.698 -9.443 15.050 1.00 0.00 H new ATOM 1002 N GLY A 72 9.615 -7.392 13.852 1.00 0.00 N ATOM 1003 CA GLY A 72 8.980 -6.092 13.987 1.00 0.00 C ATOM 1004 C GLY A 72 7.510 -6.240 14.384 1.00 0.00 C ATOM 1005 O GLY A 72 7.091 -7.299 14.847 1.00 0.00 O ATOM 0 H GLY A 72 9.685 -7.735 12.894 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.506 -5.502 14.738 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.053 -5.548 13.046 1.00 0.00 H new ATOM 1009 N PRO A 73 6.747 -5.131 14.186 1.00 0.00 N ATOM 1010 CA PRO A 73 5.332 -5.125 14.518 1.00 0.00 C ATOM 1011 C PRO A 73 4.524 -5.911 13.484 1.00 0.00 C ATOM 1012 O PRO A 73 3.764 -6.810 13.838 1.00 0.00 O ATOM 1013 CB PRO A 73 4.950 -3.656 14.582 1.00 0.00 C ATOM 1014 CG PRO A 73 6.038 -2.908 13.831 1.00 0.00 C ATOM 1015 CD PRO A 73 7.210 -3.858 13.640 1.00 0.00 C ATOM 0 HA PRO A 73 5.119 -5.619 15.466 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.974 -3.486 14.127 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.884 -3.315 15.615 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.667 -2.561 12.867 1.00 0.00 H new ATOM 0 HG3 PRO A 73 6.349 -2.025 14.389 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.476 -3.952 12.587 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.098 -3.502 14.163 1.00 0.00 H new ATOM 1020 N ALA A 74 4.714 -5.541 12.226 1.00 0.00 N ATOM 1021 CA ALA A 74 4.012 -6.200 11.137 1.00 0.00 C ATOM 1022 C ALA A 74 4.233 -7.711 11.233 1.00 0.00 C ATOM 1023 O ALA A 74 3.275 -8.482 11.256 1.00 0.00 O ATOM 1024 CB ALA A 74 4.486 -5.625 9.802 1.00 0.00 C ATOM 0 H ALA A 74 5.344 -4.793 11.936 1.00 0.00 H new ATOM 0 HA ALA A 74 2.939 -6.019 11.207 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.960 -6.119 8.986 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.279 -4.555 9.772 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.558 -5.790 9.695 1.00 0.00 H new ATOM 1030 N PHE A 75 5.501 -8.089 11.288 1.00 0.00 N ATOM 1031 CA PHE A 75 5.860 -9.494 11.382 1.00 0.00 C ATOM 1032 C PHE A 75 5.046 -10.197 12.469 1.00 0.00 C ATOM 1033 O PHE A 75 4.408 -11.216 12.212 1.00 0.00 O ATOM 1034 CB PHE A 75 7.343 -9.553 11.752 1.00 0.00 C ATOM 1035 CG PHE A 75 7.744 -10.817 12.517 1.00 0.00 C ATOM 1036 CD1 PHE A 75 7.611 -12.036 11.930 1.00 0.00 C ATOM 1037 CD2 PHE A 75 8.231 -10.720 13.782 1.00 0.00 C ATOM 1038 CE1 PHE A 75 7.983 -13.209 12.639 1.00 0.00 C ATOM 1039 CE2 PHE A 75 8.603 -11.893 14.492 1.00 0.00 C ATOM 1040 CZ PHE A 75 8.470 -13.113 13.905 1.00 0.00 C ATOM 0 H PHE A 75 6.293 -7.447 11.269 1.00 0.00 H new ATOM 0 HA PHE A 75 5.657 -9.994 10.435 1.00 0.00 H new ATOM 0 HB2 PHE A 75 7.937 -9.488 10.840 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.591 -8.681 12.357 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.223 -12.112 10.925 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.335 -9.751 14.248 1.00 0.00 H new ATOM 0 HE1 PHE A 75 7.879 -14.178 12.173 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.991 -11.816 15.497 1.00 0.00 H new ATOM 0 HZ PHE A 75 8.751 -14.005 14.444 1.00 0.00 H new ATOM 1049 N GLU A 76 5.094 -9.624 13.664 1.00 0.00 N ATOM 1050 CA GLU A 76 4.370 -10.183 14.792 1.00 0.00 C ATOM 1051 C GLU A 76 2.871 -10.234 14.487 1.00 0.00 C ATOM 1052 O GLU A 76 2.244 -11.283 14.613 1.00 0.00 O ATOM 1053 CB GLU A 76 4.643 -9.385 16.068 1.00 0.00 C ATOM 1054 CG GLU A 76 6.144 -9.290 16.344 1.00 0.00 C ATOM 1055 CD GLU A 76 6.571 -10.292 17.418 1.00 0.00 C ATOM 1056 OE1 GLU A 76 5.802 -10.444 18.390 1.00 0.00 O ATOM 1057 OE2 GLU A 76 7.657 -10.886 17.240 1.00 0.00 O ATOM 0 H GLU A 76 5.624 -8.778 13.874 1.00 0.00 H new ATOM 0 HA GLU A 76 4.722 -11.201 14.957 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.223 -8.384 15.972 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.144 -9.860 16.912 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.699 -9.479 15.425 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.395 -8.279 16.665 1.00 0.00 H new ATOM 1062 N ALA A 77 2.342 -9.085 14.092 1.00 0.00 N ATOM 1063 CA ALA A 77 0.928 -8.985 13.767 1.00 0.00 C ATOM 1064 C ALA A 77 0.506 -10.216 12.962 1.00 0.00 C ATOM 1065 O ALA A 77 -0.651 -10.628 13.013 1.00 0.00 O ATOM 1066 CB ALA A 77 0.667 -7.677 13.016 1.00 0.00 C ATOM 0 H ALA A 77 2.866 -8.216 13.990 1.00 0.00 H new ATOM 0 HA ALA A 77 0.326 -8.964 14.675 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.393 -7.602 12.773 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.955 -6.834 13.643 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.252 -7.662 12.097 1.00 0.00 H new ATOM 1072 N GLY A 78 1.467 -10.766 12.235 1.00 0.00 N ATOM 1073 CA GLY A 78 1.210 -11.941 11.419 1.00 0.00 C ATOM 1074 C GLY A 78 1.252 -11.594 9.930 1.00 0.00 C ATOM 1075 O GLY A 78 0.671 -12.301 9.106 1.00 0.00 O ATOM 0 H GLY A 78 2.426 -10.420 12.194 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.951 -12.709 11.638 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.235 -12.357 11.672 1.00 0.00 H new ATOM 1079 N LEU A 79 1.946 -10.505 9.628 1.00 0.00 N ATOM 1080 CA LEU A 79 2.072 -10.057 8.252 1.00 0.00 C ATOM 1081 C LEU A 79 3.192 -10.838 7.565 1.00 0.00 C ATOM 1082 O LEU A 79 3.710 -11.805 8.120 1.00 0.00 O ATOM 1083 CB LEU A 79 2.259 -8.539 8.198 1.00 0.00 C ATOM 1084 CG LEU A 79 1.529 -7.812 7.067 1.00 0.00 C ATOM 1085 CD1 LEU A 79 0.077 -7.517 7.451 1.00 0.00 C ATOM 1086 CD2 LEU A 79 2.282 -6.546 6.654 1.00 0.00 C ATOM 0 H LEU A 79 2.426 -9.921 10.313 1.00 0.00 H new ATOM 0 HA LEU A 79 1.155 -10.263 7.700 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.927 -8.118 9.147 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.325 -8.327 8.111 1.00 0.00 H new ATOM 0 HG LEU A 79 1.504 -8.470 6.198 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.419 -7.000 6.629 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.442 -8.453 7.657 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.057 -6.888 8.341 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.742 -6.048 5.849 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.360 -5.874 7.509 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.281 -6.813 6.310 1.00 0.00 H new ATOM 1097 N CYS A 80 3.536 -10.390 6.366 1.00 0.00 N ATOM 1098 CA CYS A 80 4.587 -11.035 5.598 1.00 0.00 C ATOM 1099 C CYS A 80 4.710 -10.316 4.254 1.00 0.00 C ATOM 1100 O CYS A 80 4.184 -9.216 4.083 1.00 0.00 O ATOM 1101 CB CYS A 80 4.320 -12.532 5.422 1.00 0.00 C ATOM 1102 SG CYS A 80 5.547 -13.502 6.373 1.00 0.00 S ATOM 0 H CYS A 80 3.105 -9.587 5.908 1.00 0.00 H new ATOM 0 HA CYS A 80 5.532 -10.961 6.136 1.00 0.00 H new ATOM 0 HB2 CYS A 80 3.312 -12.772 5.761 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.373 -12.798 4.366 1.00 0.00 H new ATOM 0 HG CYS A 80 5.380 -13.287 7.644 1.00 0.00 H new ATOM 1107 N THR A 81 5.410 -10.964 3.334 1.00 0.00 N ATOM 1108 CA THR A 81 5.609 -10.399 2.010 1.00 0.00 C ATOM 1109 C THR A 81 4.691 -11.083 0.994 1.00 0.00 C ATOM 1110 O THR A 81 4.631 -12.309 0.934 1.00 0.00 O ATOM 1111 CB THR A 81 7.095 -10.519 1.663 1.00 0.00 C ATOM 1112 OG1 THR A 81 7.455 -11.817 2.127 1.00 0.00 O ATOM 1113 CG2 THR A 81 7.966 -9.572 2.489 1.00 0.00 C ATOM 0 H THR A 81 5.846 -11.875 3.479 1.00 0.00 H new ATOM 0 HA THR A 81 5.339 -9.343 1.986 1.00 0.00 H new ATOM 0 HB THR A 81 7.239 -10.312 0.603 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.403 -11.980 1.941 1.00 0.00 H new ATOM 0 HG21 THR A 81 9.011 -9.697 2.204 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.660 -8.542 2.304 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.849 -9.801 3.548 1.00 0.00 H new ATOM 1121 N GLY A 82 3.998 -10.260 0.222 1.00 0.00 N ATOM 1122 CA GLY A 82 3.086 -10.770 -0.787 1.00 0.00 C ATOM 1123 C GLY A 82 1.630 -10.519 -0.388 1.00 0.00 C ATOM 1124 O GLY A 82 0.774 -10.311 -1.247 1.00 0.00 O ATOM 0 H GLY A 82 4.050 -9.243 0.275 1.00 0.00 H new ATOM 0 HA2 GLY A 82 3.292 -10.291 -1.744 1.00 0.00 H new ATOM 0 HA3 GLY A 82 3.250 -11.839 -0.924 1.00 0.00 H new ATOM 1128 N ASP A 83 1.394 -10.545 0.915 1.00 0.00 N ATOM 1129 CA ASP A 83 0.057 -10.322 1.439 1.00 0.00 C ATOM 1130 C ASP A 83 -0.506 -9.025 0.855 1.00 0.00 C ATOM 1131 O ASP A 83 0.164 -7.993 0.867 1.00 0.00 O ATOM 1132 CB ASP A 83 0.078 -10.185 2.962 1.00 0.00 C ATOM 1133 CG ASP A 83 0.559 -11.426 3.716 1.00 0.00 C ATOM 1134 OD1 ASP A 83 1.611 -11.966 3.310 1.00 0.00 O ATOM 1135 OD2 ASP A 83 -0.136 -11.807 4.684 1.00 0.00 O ATOM 0 H ASP A 83 2.107 -10.717 1.624 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.560 -11.177 1.162 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.720 -9.345 3.227 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -0.927 -9.938 3.303 1.00 0.00 H new ATOM 1139 N ARG A 84 -1.729 -9.119 0.357 1.00 0.00 N ATOM 1140 CA ARG A 84 -2.390 -7.966 -0.232 1.00 0.00 C ATOM 1141 C ARG A 84 -3.253 -7.260 0.814 1.00 0.00 C ATOM 1142 O ARG A 84 -3.997 -7.906 1.551 1.00 0.00 O ATOM 1143 CB ARG A 84 -3.268 -8.379 -1.414 1.00 0.00 C ATOM 1144 CG ARG A 84 -4.043 -7.180 -1.965 1.00 0.00 C ATOM 1145 CD ARG A 84 -5.165 -7.635 -2.903 1.00 0.00 C ATOM 1146 NE ARG A 84 -6.442 -7.001 -2.509 1.00 0.00 N ATOM 1147 CZ ARG A 84 -7.647 -7.425 -2.915 1.00 0.00 C ATOM 1148 NH1 ARG A 84 -7.746 -8.485 -3.728 1.00 0.00 N ATOM 1149 NH2 ARG A 84 -8.753 -6.787 -2.508 1.00 0.00 N ATOM 0 H ARG A 84 -2.281 -9.977 0.349 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.617 -7.286 -0.590 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.647 -8.808 -2.201 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -3.966 -9.155 -1.100 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -4.464 -6.605 -1.140 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.363 -6.518 -2.501 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -4.920 -7.370 -3.932 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -5.262 -8.720 -2.868 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.403 -6.191 -1.890 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -6.904 -8.970 -4.038 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -8.663 -8.807 -4.037 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -8.677 -5.979 -1.890 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -9.670 -7.109 -2.817 1.00 0.00 H new ATOM 1160 N ILE A 85 -3.126 -5.941 0.846 1.00 0.00 N ATOM 1161 CA ILE A 85 -3.887 -5.138 1.791 1.00 0.00 C ATOM 1162 C ILE A 85 -5.288 -4.888 1.228 1.00 0.00 C ATOM 1163 O ILE A 85 -5.442 -4.602 0.042 1.00 0.00 O ATOM 1164 CB ILE A 85 -3.125 -3.857 2.139 1.00 0.00 C ATOM 1165 CG1 ILE A 85 -1.667 -4.164 2.484 1.00 0.00 C ATOM 1166 CG2 ILE A 85 -3.830 -3.088 3.257 1.00 0.00 C ATOM 1167 CD1 ILE A 85 -1.567 -4.977 3.777 1.00 0.00 C ATOM 0 H ILE A 85 -2.508 -5.408 0.234 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.013 -5.672 2.733 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.118 -3.212 1.260 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -1.205 -4.717 1.666 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.112 -3.232 2.592 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.269 -2.182 3.486 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.836 -2.820 2.936 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.888 -3.713 4.148 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.519 -5.181 3.998 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.008 -4.411 4.598 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.103 -5.919 3.657 1.00 0.00 H new ATOM 1178 N ILE A 86 -6.272 -5.004 2.107 1.00 0.00 N ATOM 1179 CA ILE A 86 -7.654 -4.794 1.713 1.00 0.00 C ATOM 1180 C ILE A 86 -8.198 -3.550 2.420 1.00 0.00 C ATOM 1181 O ILE A 86 -9.005 -2.814 1.855 1.00 0.00 O ATOM 1182 CB ILE A 86 -8.482 -6.056 1.967 1.00 0.00 C ATOM 1183 CG1 ILE A 86 -8.500 -6.410 3.456 1.00 0.00 C ATOM 1184 CG2 ILE A 86 -7.983 -7.220 1.107 1.00 0.00 C ATOM 1185 CD1 ILE A 86 -9.479 -7.551 3.735 1.00 0.00 C ATOM 0 H ILE A 86 -6.140 -5.241 3.090 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.720 -4.607 0.641 1.00 0.00 H new ATOM 0 HB ILE A 86 -9.512 -5.855 1.672 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.499 -6.698 3.777 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -8.782 -5.533 4.039 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -8.588 -8.105 1.306 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.064 -6.955 0.053 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.941 -7.431 1.349 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -9.473 -7.783 4.800 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.483 -7.251 3.435 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -9.180 -8.433 3.169 1.00 0.00 H new ATOM 1196 N LYS A 87 -7.734 -3.355 3.646 1.00 0.00 N ATOM 1197 CA LYS A 87 -8.163 -2.214 4.435 1.00 0.00 C ATOM 1198 C LYS A 87 -6.949 -1.591 5.126 1.00 0.00 C ATOM 1199 O LYS A 87 -5.898 -2.222 5.229 1.00 0.00 O ATOM 1200 CB LYS A 87 -9.279 -2.619 5.401 1.00 0.00 C ATOM 1201 CG LYS A 87 -10.559 -2.974 4.640 1.00 0.00 C ATOM 1202 CD LYS A 87 -11.030 -4.387 4.988 1.00 0.00 C ATOM 1203 CE LYS A 87 -11.649 -5.074 3.769 1.00 0.00 C ATOM 1204 NZ LYS A 87 -12.756 -5.964 4.182 1.00 0.00 N ATOM 0 H LYS A 87 -7.065 -3.968 4.112 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.593 -1.447 3.791 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.957 -3.473 5.997 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.479 -1.803 6.095 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.342 -2.256 4.883 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.381 -2.900 3.567 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.188 -4.975 5.353 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.761 -4.342 5.795 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.019 -4.324 3.070 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.888 -5.651 3.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -13.165 -6.422 3.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.393 -6.691 4.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.490 -5.405 4.663 1.00 0.00 H new ATOM 1214 N VAL A 88 -7.133 -0.360 5.581 1.00 0.00 N ATOM 1215 CA VAL A 88 -6.066 0.355 6.259 1.00 0.00 C ATOM 1216 C VAL A 88 -6.672 1.337 7.264 1.00 0.00 C ATOM 1217 O VAL A 88 -7.415 2.239 6.883 1.00 0.00 O ATOM 1218 CB VAL A 88 -5.158 1.035 5.234 1.00 0.00 C ATOM 1219 CG1 VAL A 88 -4.143 1.951 5.921 1.00 0.00 C ATOM 1220 CG2 VAL A 88 -4.454 0.000 4.353 1.00 0.00 C ATOM 0 H VAL A 88 -8.006 0.160 5.493 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.439 -0.339 6.820 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.784 1.653 4.591 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.510 2.422 5.169 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -4.670 2.721 6.485 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.524 1.364 6.600 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.814 0.510 3.633 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.847 -0.656 4.977 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.199 -0.592 3.821 1.00 0.00 H new ATOM 1230 N ASN A 89 -6.333 1.125 8.527 1.00 0.00 N ATOM 1231 CA ASN A 89 -6.835 1.980 9.589 1.00 0.00 C ATOM 1232 C ASN A 89 -8.340 2.187 9.404 1.00 0.00 C ATOM 1233 O ASN A 89 -8.808 3.322 9.316 1.00 0.00 O ATOM 1234 CB ASN A 89 -6.162 3.354 9.557 1.00 0.00 C ATOM 1235 CG ASN A 89 -4.852 3.340 10.346 1.00 0.00 C ATOM 1236 OD1 ASN A 89 -4.619 2.498 11.199 1.00 0.00 O ATOM 1237 ND2 ASN A 89 -4.011 4.318 10.018 1.00 0.00 N ATOM 0 H ASN A 89 -5.717 0.374 8.839 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.619 1.495 10.541 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -5.966 3.643 8.524 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -6.835 4.103 9.975 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -3.110 4.395 10.490 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -4.268 4.990 9.295 1.00 0.00 H new ATOM 1243 N GLY A 90 -9.056 1.074 9.347 1.00 0.00 N ATOM 1244 CA GLY A 90 -10.498 1.119 9.173 1.00 0.00 C ATOM 1245 C GLY A 90 -10.878 1.998 7.979 1.00 0.00 C ATOM 1246 O GLY A 90 -12.005 2.487 7.898 1.00 0.00 O ATOM 0 H GLY A 90 -8.664 0.135 9.418 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.882 0.110 9.023 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -10.965 1.507 10.078 1.00 0.00 H new ATOM 1250 N GLU A 91 -9.919 2.170 7.083 1.00 0.00 N ATOM 1251 CA GLU A 91 -10.138 2.981 5.897 1.00 0.00 C ATOM 1252 C GLU A 91 -9.864 2.161 4.636 1.00 0.00 C ATOM 1253 O GLU A 91 -8.778 2.244 4.061 1.00 0.00 O ATOM 1254 CB GLU A 91 -9.276 4.244 5.929 1.00 0.00 C ATOM 1255 CG GLU A 91 -10.147 5.499 6.030 1.00 0.00 C ATOM 1256 CD GLU A 91 -10.797 5.825 4.685 1.00 0.00 C ATOM 1257 OE1 GLU A 91 -11.328 4.878 4.066 1.00 0.00 O ATOM 1258 OE2 GLU A 91 -10.749 7.015 4.305 1.00 0.00 O ATOM 0 H GLU A 91 -8.987 1.761 7.154 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.182 3.295 5.883 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.593 4.201 6.778 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.663 4.294 5.029 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.919 5.350 6.785 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.539 6.342 6.358 1.00 0.00 H new ATOM 1263 N SER A 92 -10.865 1.389 4.240 1.00 0.00 N ATOM 1264 CA SER A 92 -10.744 0.554 3.056 1.00 0.00 C ATOM 1265 C SER A 92 -10.005 1.314 1.954 1.00 0.00 C ATOM 1266 O SER A 92 -10.329 2.465 1.663 1.00 0.00 O ATOM 1267 CB SER A 92 -12.119 0.103 2.559 1.00 0.00 C ATOM 1268 OG SER A 92 -13.039 1.186 2.478 1.00 0.00 O ATOM 0 H SER A 92 -11.764 1.324 4.718 1.00 0.00 H new ATOM 0 HA SER A 92 -10.173 -0.336 3.321 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.016 -0.359 1.577 1.00 0.00 H new ATOM 0 HB3 SER A 92 -12.515 -0.659 3.230 1.00 0.00 H new ATOM 0 HG SER A 92 -13.904 0.857 2.155 1.00 0.00 H new ATOM 1273 N VAL A 93 -9.026 0.641 1.368 1.00 0.00 N ATOM 1274 CA VAL A 93 -8.238 1.238 0.303 1.00 0.00 C ATOM 1275 C VAL A 93 -9.140 1.511 -0.901 1.00 0.00 C ATOM 1276 O VAL A 93 -8.919 2.467 -1.642 1.00 0.00 O ATOM 1277 CB VAL A 93 -7.046 0.340 -0.032 1.00 0.00 C ATOM 1278 CG1 VAL A 93 -6.377 -0.183 1.240 1.00 0.00 C ATOM 1279 CG2 VAL A 93 -7.469 -0.815 -0.943 1.00 0.00 C ATOM 0 H VAL A 93 -8.760 -0.313 1.611 1.00 0.00 H new ATOM 0 HA VAL A 93 -7.826 2.195 0.623 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.315 0.943 -0.571 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -5.533 -0.819 0.972 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -6.023 0.658 1.837 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.097 -0.761 1.819 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.603 -1.438 -1.166 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.228 -1.415 -0.441 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.877 -0.415 -1.871 1.00 0.00 H new ATOM 1289 N ILE A 94 -10.137 0.653 -1.059 1.00 0.00 N ATOM 1290 CA ILE A 94 -11.074 0.789 -2.161 1.00 0.00 C ATOM 1291 C ILE A 94 -11.523 2.249 -2.266 1.00 0.00 C ATOM 1292 O ILE A 94 -12.236 2.747 -1.397 1.00 0.00 O ATOM 1293 CB ILE A 94 -12.231 -0.199 -2.006 1.00 0.00 C ATOM 1294 CG1 ILE A 94 -11.756 -1.638 -2.218 1.00 0.00 C ATOM 1295 CG2 ILE A 94 -13.390 0.163 -2.937 1.00 0.00 C ATOM 1296 CD1 ILE A 94 -12.002 -2.486 -0.970 1.00 0.00 C ATOM 0 H ILE A 94 -10.316 -0.139 -0.442 1.00 0.00 H new ATOM 0 HA ILE A 94 -10.591 0.534 -3.104 1.00 0.00 H new ATOM 0 HB ILE A 94 -12.604 -0.129 -0.984 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -12.279 -2.076 -3.068 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -10.693 -1.642 -2.461 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -14.199 -0.555 -2.807 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -13.751 1.163 -2.697 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -13.047 0.139 -3.971 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -11.655 -3.504 -1.148 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -11.458 -2.059 -0.127 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -13.068 -2.500 -0.744 1.00 0.00 H new ATOM 1307 N GLY A 95 -11.085 2.893 -3.339 1.00 0.00 N ATOM 1308 CA GLY A 95 -11.432 4.285 -3.569 1.00 0.00 C ATOM 1309 C GLY A 95 -10.263 5.208 -3.217 1.00 0.00 C ATOM 1310 O GLY A 95 -10.440 6.418 -3.085 1.00 0.00 O ATOM 0 H GLY A 95 -10.493 2.476 -4.058 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.710 4.426 -4.614 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -12.303 4.550 -2.969 1.00 0.00 H new ATOM 1314 N LYS A 96 -9.094 4.601 -3.075 1.00 0.00 N ATOM 1315 CA LYS A 96 -7.897 5.351 -2.742 1.00 0.00 C ATOM 1316 C LYS A 96 -6.841 5.129 -3.827 1.00 0.00 C ATOM 1317 O LYS A 96 -6.951 4.197 -4.623 1.00 0.00 O ATOM 1318 CB LYS A 96 -7.414 4.994 -1.333 1.00 0.00 C ATOM 1319 CG LYS A 96 -8.374 5.536 -0.272 1.00 0.00 C ATOM 1320 CD LYS A 96 -7.874 5.210 1.137 1.00 0.00 C ATOM 1321 CE LYS A 96 -8.803 5.799 2.199 1.00 0.00 C ATOM 1322 NZ LYS A 96 -8.200 7.010 2.801 1.00 0.00 N ATOM 0 H LYS A 96 -8.951 3.597 -3.185 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.113 6.419 -2.720 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -7.332 3.911 -1.236 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.417 5.405 -1.171 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.475 6.615 -0.385 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -9.365 5.106 -0.419 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -7.811 4.129 1.263 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -6.867 5.606 1.270 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -9.765 6.049 1.751 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -8.995 5.057 2.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -8.716 7.260 3.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.204 6.823 3.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -8.256 7.798 2.125 1.00 0.00 H new ATOM 1332 N THR A 97 -5.842 6.000 -3.825 1.00 0.00 N ATOM 1333 CA THR A 97 -4.769 5.910 -4.799 1.00 0.00 C ATOM 1334 C THR A 97 -3.450 5.558 -4.109 1.00 0.00 C ATOM 1335 O THR A 97 -2.443 6.238 -4.304 1.00 0.00 O ATOM 1336 CB THR A 97 -4.718 7.231 -5.570 1.00 0.00 C ATOM 1337 OG1 THR A 97 -3.897 6.944 -6.699 1.00 0.00 O ATOM 1338 CG2 THR A 97 -3.949 8.319 -4.818 1.00 0.00 C ATOM 0 H THR A 97 -5.754 6.771 -3.164 1.00 0.00 H new ATOM 0 HA THR A 97 -4.950 5.107 -5.513 1.00 0.00 H new ATOM 0 HB THR A 97 -5.734 7.574 -5.767 1.00 0.00 H new ATOM 0 HG1 THR A 97 -3.022 6.624 -6.394 1.00 0.00 H new ATOM 0 HG21 THR A 97 -3.943 9.235 -5.409 1.00 0.00 H new ATOM 0 HG22 THR A 97 -4.431 8.509 -3.859 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.924 7.989 -4.649 1.00 0.00 H new ATOM 1346 N TYR A 98 -3.498 4.499 -3.316 1.00 0.00 N ATOM 1347 CA TYR A 98 -2.320 4.049 -2.596 1.00 0.00 C ATOM 1348 C TYR A 98 -1.771 5.157 -1.693 1.00 0.00 C ATOM 1349 O TYR A 98 -1.947 5.115 -0.477 1.00 0.00 O ATOM 1350 CB TYR A 98 -1.275 3.713 -3.663 1.00 0.00 C ATOM 1351 CG TYR A 98 0.093 3.330 -3.097 1.00 0.00 C ATOM 1352 CD1 TYR A 98 0.203 2.279 -2.209 1.00 0.00 C ATOM 1353 CD2 TYR A 98 1.219 4.037 -3.471 1.00 0.00 C ATOM 1354 CE1 TYR A 98 1.492 1.918 -1.675 1.00 0.00 C ATOM 1355 CE2 TYR A 98 2.506 3.676 -2.938 1.00 0.00 C ATOM 1356 CZ TYR A 98 2.579 2.635 -2.067 1.00 0.00 C ATOM 1357 OH TYR A 98 3.795 2.295 -1.562 1.00 0.00 O ATOM 0 H TYR A 98 -4.335 3.939 -3.156 1.00 0.00 H new ATOM 0 HA TYR A 98 -2.561 3.195 -1.963 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -1.647 2.891 -4.274 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -1.156 4.572 -4.323 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.677 1.727 -1.914 1.00 0.00 H new ATOM 0 HD2 TYR A 98 1.134 4.861 -4.164 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.592 1.097 -0.980 1.00 0.00 H new ATOM 0 HE2 TYR A 98 3.394 4.220 -3.224 1.00 0.00 H new ATOM 0 HH TYR A 98 4.480 2.891 -1.930 1.00 0.00 H new ATOM 1366 N SER A 99 -1.119 6.122 -2.326 1.00 0.00 N ATOM 1367 CA SER A 99 -0.545 7.239 -1.597 1.00 0.00 C ATOM 1368 C SER A 99 -1.475 7.652 -0.454 1.00 0.00 C ATOM 1369 O SER A 99 -1.017 8.127 0.585 1.00 0.00 O ATOM 1370 CB SER A 99 -0.284 8.427 -2.524 1.00 0.00 C ATOM 1371 OG SER A 99 0.930 9.100 -2.201 1.00 0.00 O ATOM 0 H SER A 99 -0.976 6.153 -3.335 1.00 0.00 H new ATOM 0 HA SER A 99 0.411 6.920 -1.182 1.00 0.00 H new ATOM 0 HB2 SER A 99 -0.242 8.079 -3.556 1.00 0.00 H new ATOM 0 HB3 SER A 99 -1.116 9.128 -2.458 1.00 0.00 H new ATOM 0 HG SER A 99 1.061 9.851 -2.817 1.00 0.00 H new ATOM 1376 N GLN A 100 -2.765 7.455 -0.683 1.00 0.00 N ATOM 1377 CA GLN A 100 -3.764 7.802 0.313 1.00 0.00 C ATOM 1378 C GLN A 100 -3.592 6.932 1.560 1.00 0.00 C ATOM 1379 O GLN A 100 -3.305 7.442 2.641 1.00 0.00 O ATOM 1380 CB GLN A 100 -5.178 7.668 -0.259 1.00 0.00 C ATOM 1381 CG GLN A 100 -5.774 9.041 -0.571 1.00 0.00 C ATOM 1382 CD GLN A 100 -6.846 9.420 0.453 1.00 0.00 C ATOM 1383 OE1 GLN A 100 -6.589 9.550 1.639 1.00 0.00 O ATOM 1384 NE2 GLN A 100 -8.057 9.590 -0.067 1.00 0.00 N ATOM 0 H GLN A 100 -3.141 7.059 -1.544 1.00 0.00 H new ATOM 0 HA GLN A 100 -3.620 8.844 0.597 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.152 7.064 -1.166 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -5.815 7.144 0.454 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -4.984 9.792 -0.571 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -6.208 9.034 -1.571 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -8.204 9.466 -1.069 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.840 9.845 0.536 1.00 0.00 H new ATOM 1391 N VAL A 101 -3.776 5.634 1.368 1.00 0.00 N ATOM 1392 CA VAL A 101 -3.643 4.689 2.465 1.00 0.00 C ATOM 1393 C VAL A 101 -2.261 4.845 3.103 1.00 0.00 C ATOM 1394 O VAL A 101 -2.102 4.636 4.304 1.00 0.00 O ATOM 1395 CB VAL A 101 -3.915 3.269 1.967 1.00 0.00 C ATOM 1396 CG1 VAL A 101 -5.345 3.138 1.438 1.00 0.00 C ATOM 1397 CG2 VAL A 101 -2.898 2.857 0.902 1.00 0.00 C ATOM 0 H VAL A 101 -4.016 5.214 0.470 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.383 4.895 3.239 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.807 2.591 2.814 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.512 2.119 1.090 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -6.051 3.370 2.236 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.492 3.832 0.611 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -3.114 1.843 0.565 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.960 3.541 0.056 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.894 2.892 1.325 1.00 0.00 H new ATOM 1407 N ILE A 102 -1.298 5.209 2.271 1.00 0.00 N ATOM 1408 CA ILE A 102 0.065 5.394 2.738 1.00 0.00 C ATOM 1409 C ILE A 102 0.069 6.385 3.905 1.00 0.00 C ATOM 1410 O ILE A 102 0.709 6.142 4.927 1.00 0.00 O ATOM 1411 CB ILE A 102 0.978 5.804 1.581 1.00 0.00 C ATOM 1412 CG1 ILE A 102 1.253 4.618 0.654 1.00 0.00 C ATOM 1413 CG2 ILE A 102 2.270 6.439 2.099 1.00 0.00 C ATOM 1414 CD1 ILE A 102 2.179 3.602 1.325 1.00 0.00 C ATOM 0 H ILE A 102 -1.434 5.381 1.275 1.00 0.00 H new ATOM 0 HA ILE A 102 0.469 4.454 3.114 1.00 0.00 H new ATOM 0 HB ILE A 102 0.462 6.562 0.991 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.313 4.136 0.385 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.706 4.973 -0.272 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.900 6.721 1.256 1.00 0.00 H new ATOM 0 HG22 ILE A 102 2.030 7.326 2.685 1.00 0.00 H new ATOM 0 HG23 ILE A 102 2.801 5.723 2.726 1.00 0.00 H new ATOM 0 HD11 ILE A 102 2.359 2.769 0.645 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.127 4.081 1.571 1.00 0.00 H new ATOM 0 HD13 ILE A 102 1.712 3.231 2.238 1.00 0.00 H new ATOM 1425 N ALA A 103 -0.653 7.479 3.713 1.00 0.00 N ATOM 1426 CA ALA A 103 -0.741 8.506 4.736 1.00 0.00 C ATOM 1427 C ALA A 103 -1.351 7.906 6.005 1.00 0.00 C ATOM 1428 O ALA A 103 -0.925 8.225 7.113 1.00 0.00 O ATOM 1429 CB ALA A 103 -1.551 9.690 4.203 1.00 0.00 C ATOM 0 H ALA A 103 -1.182 7.676 2.864 1.00 0.00 H new ATOM 0 HA ALA A 103 0.251 8.878 4.992 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.617 10.461 4.971 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.060 10.099 3.320 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.554 9.355 3.938 1.00 0.00 H new ATOM 1435 N LEU A 104 -2.338 7.047 5.799 1.00 0.00 N ATOM 1436 CA LEU A 104 -3.011 6.398 6.911 1.00 0.00 C ATOM 1437 C LEU A 104 -1.989 5.604 7.727 1.00 0.00 C ATOM 1438 O LEU A 104 -2.082 5.538 8.952 1.00 0.00 O ATOM 1439 CB LEU A 104 -4.186 5.557 6.410 1.00 0.00 C ATOM 1440 CG LEU A 104 -5.380 6.336 5.856 1.00 0.00 C ATOM 1441 CD1 LEU A 104 -6.461 5.385 5.337 1.00 0.00 C ATOM 1442 CD2 LEU A 104 -5.928 7.314 6.898 1.00 0.00 C ATOM 0 H LEU A 104 -2.688 6.785 4.878 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.445 7.141 7.580 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.822 4.887 5.631 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.535 4.931 7.231 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.038 6.929 5.008 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.299 5.964 4.949 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.048 4.765 4.541 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.807 4.748 6.151 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.776 7.855 6.479 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.250 6.762 7.781 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.148 8.022 7.178 1.00 0.00 H new ATOM 1453 N ILE A 105 -1.036 5.020 7.014 1.00 0.00 N ATOM 1454 CA ILE A 105 0.003 4.232 7.657 1.00 0.00 C ATOM 1455 C ILE A 105 0.975 5.169 8.377 1.00 0.00 C ATOM 1456 O ILE A 105 1.470 4.845 9.456 1.00 0.00 O ATOM 1457 CB ILE A 105 0.678 3.307 6.642 1.00 0.00 C ATOM 1458 CG1 ILE A 105 -0.273 2.196 6.195 1.00 0.00 C ATOM 1459 CG2 ILE A 105 1.990 2.749 7.197 1.00 0.00 C ATOM 1460 CD1 ILE A 105 -0.101 1.893 4.705 1.00 0.00 C ATOM 0 H ILE A 105 -0.962 5.077 5.998 1.00 0.00 H new ATOM 0 HA ILE A 105 -0.428 3.577 8.414 1.00 0.00 H new ATOM 0 HB ILE A 105 0.926 3.894 5.757 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.084 1.294 6.777 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.303 2.493 6.393 1.00 0.00 H new ATOM 0 HG21 ILE A 105 2.449 2.095 6.456 1.00 0.00 H new ATOM 0 HG22 ILE A 105 2.668 3.572 7.425 1.00 0.00 H new ATOM 0 HG23 ILE A 105 1.789 2.182 8.106 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -0.789 1.099 4.413 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -0.315 2.790 4.124 1.00 0.00 H new ATOM 0 HD13 ILE A 105 0.923 1.573 4.515 1.00 0.00 H new ATOM 1471 N GLN A 106 1.218 6.312 7.753 1.00 0.00 N ATOM 1472 CA GLN A 106 2.123 7.298 8.321 1.00 0.00 C ATOM 1473 C GLN A 106 1.446 8.031 9.481 1.00 0.00 C ATOM 1474 O GLN A 106 2.110 8.444 10.431 1.00 0.00 O ATOM 1475 CB GLN A 106 2.601 8.282 7.253 1.00 0.00 C ATOM 1476 CG GLN A 106 3.467 7.578 6.206 1.00 0.00 C ATOM 1477 CD GLN A 106 4.795 8.312 6.010 1.00 0.00 C ATOM 1478 OE1 GLN A 106 5.253 9.059 6.859 1.00 0.00 O ATOM 1479 NE2 GLN A 106 5.387 8.057 4.847 1.00 0.00 N ATOM 0 H GLN A 106 0.804 6.578 6.859 1.00 0.00 H new ATOM 0 HA GLN A 106 3.001 6.779 8.707 1.00 0.00 H new ATOM 0 HB2 GLN A 106 1.741 8.744 6.768 1.00 0.00 H new ATOM 0 HB3 GLN A 106 3.171 9.084 7.722 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.658 6.551 6.517 1.00 0.00 H new ATOM 0 HG3 GLN A 106 2.931 7.530 5.258 1.00 0.00 H new ATOM 0 HE21 GLN A 106 4.949 7.421 4.180 1.00 0.00 H new ATOM 0 HE22 GLN A 106 6.279 8.497 4.621 1.00 0.00 H new ATOM 1486 N ASN A 107 0.133 8.171 9.366 1.00 0.00 N ATOM 1487 CA ASN A 107 -0.640 8.848 10.392 1.00 0.00 C ATOM 1488 C ASN A 107 -1.175 7.816 11.386 1.00 0.00 C ATOM 1489 O ASN A 107 -2.146 8.074 12.095 1.00 0.00 O ATOM 1490 CB ASN A 107 -1.836 9.585 9.786 1.00 0.00 C ATOM 1491 CG ASN A 107 -1.421 10.952 9.241 1.00 0.00 C ATOM 1492 OD1 ASN A 107 -0.882 11.791 9.944 1.00 0.00 O ATOM 1493 ND2 ASN A 107 -1.697 11.129 7.953 1.00 0.00 N ATOM 0 H ASN A 107 -0.414 7.827 8.577 1.00 0.00 H new ATOM 0 HA ASN A 107 0.014 9.567 10.886 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -2.268 8.986 8.984 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -2.611 9.711 10.542 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -1.456 12.008 7.496 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -2.150 10.385 7.422 1.00 0.00 H new ATOM 1499 N SER A 108 -0.516 6.664 11.408 1.00 0.00 N ATOM 1500 CA SER A 108 -0.913 5.592 12.303 1.00 0.00 C ATOM 1501 C SER A 108 -1.016 6.118 13.737 1.00 0.00 C ATOM 1502 O SER A 108 -1.677 5.510 14.578 1.00 0.00 O ATOM 1503 CB SER A 108 0.075 4.425 12.235 1.00 0.00 C ATOM 1504 OG SER A 108 1.399 4.826 12.579 1.00 0.00 O ATOM 0 H SER A 108 0.290 6.452 10.820 1.00 0.00 H new ATOM 0 HA SER A 108 -1.890 5.226 11.987 1.00 0.00 H new ATOM 0 HB2 SER A 108 -0.251 3.634 12.910 1.00 0.00 H new ATOM 0 HB3 SER A 108 0.073 4.006 11.229 1.00 0.00 H new ATOM 0 HG SER A 108 2.030 4.117 12.334 1.00 0.00 H new ATOM 1509 N ASP A 109 -0.355 7.241 13.970 1.00 0.00 N ATOM 1510 CA ASP A 109 -0.365 7.856 15.286 1.00 0.00 C ATOM 1511 C ASP A 109 0.229 6.879 16.304 1.00 0.00 C ATOM 1512 O ASP A 109 1.439 6.863 16.522 1.00 0.00 O ATOM 1513 CB ASP A 109 -1.790 8.190 15.728 1.00 0.00 C ATOM 1514 CG ASP A 109 -1.967 8.417 17.231 1.00 0.00 C ATOM 1515 OD1 ASP A 109 -1.562 9.507 17.691 1.00 0.00 O ATOM 1516 OD2 ASP A 109 -2.500 7.495 17.886 1.00 0.00 O ATOM 0 H ASP A 109 0.192 7.742 13.269 1.00 0.00 H new ATOM 0 HA ASP A 109 0.220 8.774 15.234 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -2.117 9.086 15.200 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -2.449 7.379 15.419 1.00 0.00 H new ATOM 1520 N THR A 110 -0.652 6.089 16.901 1.00 0.00 N ATOM 1521 CA THR A 110 -0.230 5.112 17.890 1.00 0.00 C ATOM 1522 C THR A 110 0.060 3.766 17.222 1.00 0.00 C ATOM 1523 O THR A 110 1.186 3.275 17.268 1.00 0.00 O ATOM 1524 CB THR A 110 -1.312 5.034 18.969 1.00 0.00 C ATOM 1525 OG1 THR A 110 -1.286 6.320 19.582 1.00 0.00 O ATOM 1526 CG2 THR A 110 -0.942 4.074 20.102 1.00 0.00 C ATOM 0 H THR A 110 -1.655 6.106 16.719 1.00 0.00 H new ATOM 0 HA THR A 110 0.704 5.410 18.366 1.00 0.00 H new ATOM 0 HB THR A 110 -2.252 4.717 18.517 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.953 6.898 19.157 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.744 4.056 20.840 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.799 3.072 19.698 1.00 0.00 H new ATOM 0 HG23 THR A 110 -0.019 4.409 20.576 1.00 0.00 H new ATOM 1534 N THR A 111 -0.977 3.208 16.615 1.00 0.00 N ATOM 1535 CA THR A 111 -0.849 1.929 15.937 1.00 0.00 C ATOM 1536 C THR A 111 -1.342 2.038 14.493 1.00 0.00 C ATOM 1537 O THR A 111 -1.969 3.028 14.121 1.00 0.00 O ATOM 1538 CB THR A 111 -1.602 0.880 16.760 1.00 0.00 C ATOM 1539 OG1 THR A 111 -2.645 1.618 17.390 1.00 0.00 O ATOM 1540 CG2 THR A 111 -0.769 0.343 17.926 1.00 0.00 C ATOM 0 H THR A 111 -1.910 3.618 16.578 1.00 0.00 H new ATOM 0 HA THR A 111 0.194 1.621 15.868 1.00 0.00 H new ATOM 0 HB THR A 111 -1.897 0.053 16.113 1.00 0.00 H new ATOM 0 HG1 THR A 111 -3.185 1.015 17.943 1.00 0.00 H new ATOM 0 HG21 THR A 111 -1.349 -0.397 18.477 1.00 0.00 H new ATOM 0 HG22 THR A 111 0.139 -0.121 17.541 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.503 1.164 18.592 1.00 0.00 H new ATOM 1548 N LEU A 112 -1.041 1.005 13.719 1.00 0.00 N ATOM 1549 CA LEU A 112 -1.447 0.973 12.325 1.00 0.00 C ATOM 1550 C LEU A 112 -2.206 -0.327 12.049 1.00 0.00 C ATOM 1551 O LEU A 112 -1.608 -1.402 12.004 1.00 0.00 O ATOM 1552 CB LEU A 112 -0.238 1.185 11.411 1.00 0.00 C ATOM 1553 CG LEU A 112 -0.540 1.296 9.915 1.00 0.00 C ATOM 1554 CD1 LEU A 112 -0.274 -0.032 9.202 1.00 0.00 C ATOM 1555 CD2 LEU A 112 -1.965 1.798 9.679 1.00 0.00 C ATOM 0 H LEU A 112 -0.521 0.185 14.031 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.131 1.794 12.108 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.276 2.093 11.726 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.456 0.358 11.561 1.00 0.00 H new ATOM 0 HG LEU A 112 0.136 2.034 9.484 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.496 0.074 8.140 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.773 -0.309 9.328 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.909 -0.808 9.630 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -2.153 1.868 8.608 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -2.675 1.103 10.128 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -2.084 2.782 10.133 1.00 0.00 H new ATOM 1566 N GLU A 113 -3.511 -0.186 11.872 1.00 0.00 N ATOM 1567 CA GLU A 113 -4.358 -1.335 11.603 1.00 0.00 C ATOM 1568 C GLU A 113 -4.321 -1.685 10.113 1.00 0.00 C ATOM 1569 O GLU A 113 -4.489 -0.813 9.262 1.00 0.00 O ATOM 1570 CB GLU A 113 -5.793 -1.080 12.069 1.00 0.00 C ATOM 1571 CG GLU A 113 -6.611 -2.373 12.055 1.00 0.00 C ATOM 1572 CD GLU A 113 -8.107 -2.077 12.186 1.00 0.00 C ATOM 1573 OE1 GLU A 113 -8.744 -1.893 11.127 1.00 0.00 O ATOM 1574 OE2 GLU A 113 -8.579 -2.041 13.342 1.00 0.00 O ATOM 0 H GLU A 113 -4.003 0.707 11.910 1.00 0.00 H new ATOM 0 HA GLU A 113 -3.973 -2.185 12.167 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.784 -0.662 13.076 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -6.264 -0.340 11.421 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -6.424 -2.916 11.129 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -6.291 -3.019 12.873 1.00 0.00 H new ATOM 1579 N LEU A 114 -4.097 -2.963 9.843 1.00 0.00 N ATOM 1580 CA LEU A 114 -4.034 -3.438 8.472 1.00 0.00 C ATOM 1581 C LEU A 114 -4.995 -4.616 8.301 1.00 0.00 C ATOM 1582 O LEU A 114 -5.522 -5.138 9.281 1.00 0.00 O ATOM 1583 CB LEU A 114 -2.590 -3.761 8.082 1.00 0.00 C ATOM 1584 CG LEU A 114 -1.663 -2.559 7.889 1.00 0.00 C ATOM 1585 CD1 LEU A 114 -0.194 -2.981 7.978 1.00 0.00 C ATOM 1586 CD2 LEU A 114 -1.972 -1.832 6.581 1.00 0.00 C ATOM 0 H LEU A 114 -3.957 -3.684 10.551 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.359 -2.658 7.783 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.162 -4.405 8.850 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.604 -4.336 7.156 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.846 -1.853 8.699 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.444 -2.109 7.838 1.00 0.00 H new ATOM 0 HD12 LEU A 114 0.000 -3.419 8.957 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.021 -3.716 7.203 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -1.299 -0.982 6.469 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.835 -2.516 5.743 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -3.003 -1.478 6.596 1.00 0.00 H new ATOM 1597 N SER A 115 -5.194 -4.999 7.048 1.00 0.00 N ATOM 1598 CA SER A 115 -6.082 -6.105 6.736 1.00 0.00 C ATOM 1599 C SER A 115 -5.687 -6.733 5.398 1.00 0.00 C ATOM 1600 O SER A 115 -5.516 -6.028 4.404 1.00 0.00 O ATOM 1601 CB SER A 115 -7.541 -5.647 6.696 1.00 0.00 C ATOM 1602 OG SER A 115 -7.828 -4.693 7.714 1.00 0.00 O ATOM 0 H SER A 115 -4.755 -4.563 6.237 1.00 0.00 H new ATOM 0 HA SER A 115 -5.985 -6.852 7.524 1.00 0.00 H new ATOM 0 HB2 SER A 115 -7.758 -5.213 5.720 1.00 0.00 H new ATOM 0 HB3 SER A 115 -8.196 -6.511 6.813 1.00 0.00 H new ATOM 0 HG SER A 115 -8.104 -5.159 8.531 1.00 0.00 H new ATOM 1607 N VAL A 116 -5.551 -8.051 5.415 1.00 0.00 N ATOM 1608 CA VAL A 116 -5.179 -8.781 4.215 1.00 0.00 C ATOM 1609 C VAL A 116 -6.233 -9.852 3.927 1.00 0.00 C ATOM 1610 O VAL A 116 -7.303 -9.855 4.535 1.00 0.00 O ATOM 1611 CB VAL A 116 -3.769 -9.355 4.367 1.00 0.00 C ATOM 1612 CG1 VAL A 116 -2.783 -8.273 4.813 1.00 0.00 C ATOM 1613 CG2 VAL A 116 -3.762 -10.538 5.339 1.00 0.00 C ATOM 0 H VAL A 116 -5.692 -8.632 6.241 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.152 -8.112 3.355 1.00 0.00 H new ATOM 0 HB VAL A 116 -3.447 -9.720 3.392 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.788 -8.707 4.914 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -2.758 -7.475 4.071 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -3.100 -7.865 5.773 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -2.748 -10.928 5.430 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -4.113 -10.208 6.317 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -4.420 -11.321 4.963 1.00 0.00 H new ATOM 1623 N MET A 117 -5.896 -10.735 3.000 1.00 0.00 N ATOM 1624 CA MET A 117 -6.799 -11.810 2.625 1.00 0.00 C ATOM 1625 C MET A 117 -6.021 -13.059 2.206 1.00 0.00 C ATOM 1626 O MET A 117 -5.709 -13.235 1.028 1.00 0.00 O ATOM 1627 CB MET A 117 -7.686 -11.349 1.467 1.00 0.00 C ATOM 1628 CG MET A 117 -8.971 -10.700 1.986 1.00 0.00 C ATOM 1629 SD MET A 117 -10.245 -11.935 2.180 1.00 0.00 S ATOM 1630 CE MET A 117 -10.264 -12.084 3.958 1.00 0.00 C ATOM 0 H MET A 117 -5.009 -10.728 2.496 1.00 0.00 H new ATOM 0 HA MET A 117 -7.414 -12.061 3.489 1.00 0.00 H new ATOM 0 HB2 MET A 117 -7.140 -10.638 0.847 1.00 0.00 H new ATOM 0 HB3 MET A 117 -7.934 -12.200 0.833 1.00 0.00 H new ATOM 0 HG2 MET A 117 -8.780 -10.210 2.941 1.00 0.00 H new ATOM 0 HG3 MET A 117 -9.304 -9.928 1.292 1.00 0.00 H new ATOM 0 HE1 MET A 117 -11.209 -12.525 4.276 1.00 0.00 H new ATOM 0 HE2 MET A 117 -9.440 -12.721 4.279 1.00 0.00 H new ATOM 0 HE3 MET A 117 -10.155 -11.097 4.407 1.00 0.00 H new ATOM 1638 N PRO A 118 -5.724 -13.917 3.217 1.00 0.00 N ATOM 1639 CA PRO A 118 -4.989 -15.145 2.966 1.00 0.00 C ATOM 1640 C PRO A 118 -5.882 -16.191 2.296 1.00 0.00 C ATOM 1641 O PRO A 118 -7.107 -16.109 2.374 1.00 0.00 O ATOM 1642 CB PRO A 118 -4.480 -15.585 4.329 1.00 0.00 C ATOM 1643 CG PRO A 118 -5.333 -14.849 5.350 1.00 0.00 C ATOM 1644 CD PRO A 118 -6.079 -13.743 4.623 1.00 0.00 C ATOM 0 HA PRO A 118 -4.160 -15.004 2.272 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -4.571 -16.664 4.450 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -3.425 -15.338 4.450 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -6.035 -15.534 5.826 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -4.708 -14.433 6.140 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -7.155 -13.827 4.773 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -5.782 -12.760 4.987 1.00 0.00 H new ATOM 1649 N LYS A 119 -5.234 -17.150 1.651 1.00 0.00 N ATOM 1650 CA LYS A 119 -5.953 -18.211 0.966 1.00 0.00 C ATOM 1651 C LYS A 119 -6.091 -19.413 1.902 1.00 0.00 C ATOM 1652 O LYS A 119 -5.231 -19.647 2.750 1.00 0.00 O ATOM 1653 CB LYS A 119 -5.280 -18.543 -0.365 1.00 0.00 C ATOM 1654 CG LYS A 119 -4.057 -19.437 -0.155 1.00 0.00 C ATOM 1655 CD LYS A 119 -2.761 -18.664 -0.409 1.00 0.00 C ATOM 1656 CE LYS A 119 -1.545 -19.457 0.072 1.00 0.00 C ATOM 1657 NZ LYS A 119 -0.767 -19.963 -1.081 1.00 0.00 N ATOM 0 H LYS A 119 -4.218 -17.214 1.588 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.962 -17.885 0.713 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -5.992 -19.044 -1.021 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.980 -17.622 -0.864 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -4.058 -19.827 0.863 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -4.110 -20.295 -0.825 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -2.663 -18.452 -1.474 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.800 -17.704 0.105 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -0.913 -18.823 0.695 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -1.870 -20.292 0.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 0.055 -20.499 -0.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -1.368 -20.584 -1.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -0.441 -19.162 -1.658 1.00 0.00 H new ATOM 1667 N ASP A 120 -7.181 -20.146 1.717 1.00 0.00 N ATOM 1668 CA ASP A 120 -7.443 -21.318 2.534 1.00 0.00 C ATOM 1669 C ASP A 120 -6.272 -22.297 2.403 1.00 0.00 C ATOM 1670 O ASP A 120 -5.460 -22.179 1.488 1.00 0.00 O ATOM 1671 CB ASP A 120 -8.712 -22.037 2.076 1.00 0.00 C ATOM 1672 CG ASP A 120 -9.953 -21.148 1.963 1.00 0.00 C ATOM 1673 OD1 ASP A 120 -9.798 -19.928 2.183 1.00 0.00 O ATOM 1674 OD2 ASP A 120 -11.028 -21.709 1.657 1.00 0.00 O ATOM 0 H ASP A 120 -7.892 -19.950 1.013 1.00 0.00 H new ATOM 0 HA ASP A 120 -7.568 -20.989 3.566 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -8.522 -22.495 1.105 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -8.925 -22.846 2.774 1.00 0.00 H new ATOM 1678 N SER A 121 -6.225 -23.239 3.333 1.00 0.00 N ATOM 1679 CA SER A 121 -5.168 -24.237 3.333 1.00 0.00 C ATOM 1680 C SER A 121 -3.847 -23.600 3.770 1.00 0.00 C ATOM 1681 O SER A 121 -3.084 -23.112 2.937 1.00 0.00 O ATOM 1682 CB SER A 121 -5.016 -24.879 1.952 1.00 0.00 C ATOM 1683 OG SER A 121 -4.392 -26.158 2.025 1.00 0.00 O ATOM 0 H SER A 121 -6.901 -23.333 4.091 1.00 0.00 H new ATOM 0 HA SER A 121 -5.438 -25.021 4.041 1.00 0.00 H new ATOM 0 HB2 SER A 121 -5.998 -24.980 1.489 1.00 0.00 H new ATOM 0 HB3 SER A 121 -4.427 -24.224 1.310 1.00 0.00 H new ATOM 0 HG SER A 121 -4.314 -26.536 1.124 1.00 0.00 H new ATOM 1688 N GLY A 122 -3.617 -23.626 5.075 1.00 0.00 N ATOM 1689 CA GLY A 122 -2.401 -23.057 5.632 1.00 0.00 C ATOM 1690 C GLY A 122 -2.275 -23.386 7.121 1.00 0.00 C ATOM 1691 O GLY A 122 -2.584 -22.553 7.972 1.00 0.00 O ATOM 0 H GLY A 122 -4.252 -24.032 5.762 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -1.535 -23.444 5.096 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -2.404 -21.976 5.494 1.00 0.00 H new ATOM 1695 N PRO A 123 -1.810 -24.634 7.397 1.00 0.00 N ATOM 1696 CA PRO A 123 -1.639 -25.081 8.769 1.00 0.00 C ATOM 1697 C PRO A 123 -0.404 -24.441 9.404 1.00 0.00 C ATOM 1698 O PRO A 123 -0.524 -23.586 10.281 1.00 0.00 O ATOM 1699 CB PRO A 123 -1.544 -26.596 8.677 1.00 0.00 C ATOM 1700 CG PRO A 123 -1.200 -26.907 7.231 1.00 0.00 C ATOM 1701 CD PRO A 123 -1.436 -25.646 6.414 1.00 0.00 C ATOM 0 HA PRO A 123 -2.465 -24.785 9.416 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -0.779 -26.981 9.351 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -2.486 -27.064 8.963 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -0.162 -27.228 7.146 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -1.818 -27.724 6.859 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -0.539 -25.355 5.867 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -2.225 -25.793 5.677 1.00 0.00 H new ATOM 1706 N SER A 124 0.757 -24.882 8.940 1.00 0.00 N ATOM 1707 CA SER A 124 2.013 -24.363 9.452 1.00 0.00 C ATOM 1708 C SER A 124 1.913 -22.849 9.648 1.00 0.00 C ATOM 1709 O SER A 124 1.597 -22.118 8.712 1.00 0.00 O ATOM 1710 CB SER A 124 3.173 -24.700 8.512 1.00 0.00 C ATOM 1711 OG SER A 124 3.236 -23.811 7.400 1.00 0.00 O ATOM 0 H SER A 124 0.853 -25.593 8.215 1.00 0.00 H new ATOM 0 HA SER A 124 2.211 -24.836 10.414 1.00 0.00 H new ATOM 0 HB2 SER A 124 4.112 -24.656 9.065 1.00 0.00 H new ATOM 0 HB3 SER A 124 3.062 -25.723 8.152 1.00 0.00 H new ATOM 0 HG SER A 124 2.676 -23.027 7.576 1.00 0.00 H new ATOM 1716 N SER A 125 2.188 -22.424 10.873 1.00 0.00 N ATOM 1717 CA SER A 125 2.133 -21.010 11.205 1.00 0.00 C ATOM 1718 C SER A 125 3.352 -20.289 10.627 1.00 0.00 C ATOM 1719 O SER A 125 4.389 -20.193 11.280 1.00 0.00 O ATOM 1720 CB SER A 125 2.062 -20.802 12.719 1.00 0.00 C ATOM 1721 OG SER A 125 0.846 -20.174 13.116 1.00 0.00 O ATOM 0 H SER A 125 2.450 -23.034 11.648 1.00 0.00 H new ATOM 0 HA SER A 125 1.228 -20.591 10.765 1.00 0.00 H new ATOM 0 HB2 SER A 125 2.154 -21.765 13.222 1.00 0.00 H new ATOM 0 HB3 SER A 125 2.906 -20.193 13.041 1.00 0.00 H new ATOM 0 HG SER A 125 0.839 -20.061 14.089 1.00 0.00 H new ATOM 1726 N GLY A 126 3.186 -19.801 9.406 1.00 0.00 N ATOM 1727 CA GLY A 126 4.260 -19.091 8.732 1.00 0.00 C ATOM 1728 C GLY A 126 4.060 -17.576 8.824 1.00 0.00 C ATOM 1729 O GLY A 126 3.368 -16.987 7.996 1.00 0.00 O ATOM 0 H GLY A 126 2.324 -19.883 8.866 1.00 0.00 H new ATOM 0 HA2 GLY A 126 5.216 -19.363 9.179 1.00 0.00 H new ATOM 0 HA3 GLY A 126 4.300 -19.393 7.685 1.00 0.00 H new TER 1733 GLY A 126