USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 673 hydrogens (6 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 1 PCA H1 : A 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: A 1 PCA H3 : A 1 PCA N : cyclic :(NH2R) USER MOD Set 1.1: A 90 THR OG1 : rot 180:sc=-0.00341 USER MOD Set 1.2: A 92 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 35 SER OG : rot 83:sc= 1.74 USER MOD Set 2.2: A 36 SER OG : rot 180:sc= -0.0083 USER MOD Set 2.3: A 67 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 25 GLN : amide:sc= 0 X(o=0,f=0.42) USER MOD Set 3.2: A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 PCA N :NH3+ -157:sc= 1.35 (180deg=0.975) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 46:sc= 0.0194 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.132 USER MOD Single : A 10 ASN : amide:sc= 0.28 X(o=0.28,f=0) USER MOD Single : A 11 TYR OH : rot 150:sc= -0.985 USER MOD Single : A 12 SER OG : rot -170:sc= -0.012 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.862 K(o=-0.86,f=-0.027) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot -151:sc= -0.223 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN : amide:sc=-0.000614 X(o=-0.00061,f=-0.00061) USER MOD Single : A 32 THR OG1 : rot 46:sc= 0.371 USER MOD Single : A 37 THR OG1 : rot 107:sc= 0.23 USER MOD Single : A 38 TYR OH : rot 130:sc= 0.0014 USER MOD Single : A 40 HIS : no HD1:sc= -1.18 K(o=-1.2,f=-0.25) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0521 USER MOD Single : A 42 TYR OH : rot 80:sc= 0.286 USER MOD Single : A 43 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.1) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 132:sc= 0.389 USER MOD Single : A 57 GLN : amide:sc= -0.278 X(o=-0.28,f=-0.28) USER MOD Single : A 62 LYS NZ :NH3+ -103:sc= -0.176 (180deg=-1.06) USER MOD Single : A 63 SER OG : rot 62:sc= 0.059 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0249 USER MOD Single : A 71 SER OG : rot -43:sc= 0.936 USER MOD Single : A 80 ASN : amide:sc= 0.502 K(o=0.5,f=-0.047) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc=-0.00382 X(o=-0.0038,f=-0.4) USER MOD Single : A 85 TYR OH : rot -33:sc= 1.26 USER MOD Single : A 91 HIS : no HD1:sc= -1.86 K(o=-1.9,f=-4!) USER MOD Single : A 95 SER OG : rot -57:sc= 0.222 USER MOD Single : A 97 ASN : amide:sc= -0.101 X(o=-0.1,f=-0.39) USER MOD Single : A 98 ASN : amide:sc= -0.358 X(o=-0.36,f=-0.13) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot -45:sc= 0.701 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.07) USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 3.695 12.424 -8.269 1.00 0.00 N HETATM 2 CA PCA A 1 3.989 12.854 -6.896 1.00 0.00 C HETATM 3 CB PCA A 1 2.854 12.282 -6.036 1.00 0.00 C HETATM 4 CG PCA A 1 2.444 10.983 -6.742 1.00 0.00 C HETATM 5 CD PCA A 1 2.803 11.260 -8.201 1.00 0.00 C HETATM 6 OE PCA A 1 2.286 10.683 -9.157 1.00 0.00 O HETATM 7 C PCA A 1 5.366 12.330 -6.486 1.00 0.00 C HETATM 8 O PCA A 1 5.468 11.270 -5.869 1.00 0.00 O HETATM 0 H2 PCA A 1 2.990 13.062 -8.689 1.00 0.00 H new HETATM 0 HA PCA A 1 4.031 13.937 -6.782 1.00 0.00 H new HETATM 0 HB2 PCA A 1 3.189 12.090 -5.017 1.00 0.00 H new HETATM 0 HB3 PCA A 1 2.018 12.978 -5.971 1.00 0.00 H new HETATM 0 HG2 PCA A 1 2.985 10.122 -6.349 1.00 0.00 H new HETATM 0 HG3 PCA A 1 1.381 10.775 -6.620 1.00 0.00 H new ATOM 15 N SER A 2 6.425 13.076 -6.835 1.00 0.00 N ATOM 16 CA SER A 2 7.804 12.705 -6.543 1.00 0.00 C ATOM 17 C SER A 2 8.639 13.941 -6.201 1.00 0.00 C ATOM 18 O SER A 2 9.365 14.447 -7.056 1.00 0.00 O ATOM 19 CB SER A 2 8.393 11.948 -7.745 1.00 0.00 C ATOM 20 OG SER A 2 7.692 10.742 -7.964 1.00 0.00 O ATOM 0 H SER A 2 6.339 13.962 -7.333 1.00 0.00 H new ATOM 0 HA SER A 2 7.824 12.050 -5.672 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.340 12.573 -8.637 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.447 11.735 -7.567 1.00 0.00 H new ATOM 0 HG SER A 2 8.079 10.274 -8.733 1.00 0.00 H new ATOM 26 N ALA A 3 8.529 14.410 -4.949 1.00 0.00 N ATOM 27 CA ALA A 3 9.248 15.555 -4.400 1.00 0.00 C ATOM 28 C ALA A 3 9.006 16.820 -5.222 1.00 0.00 C ATOM 29 O ALA A 3 9.734 17.095 -6.173 1.00 0.00 O ATOM 30 CB ALA A 3 10.741 15.230 -4.268 1.00 0.00 C ATOM 0 H ALA A 3 7.907 13.978 -4.266 1.00 0.00 H new ATOM 0 HA ALA A 3 8.860 15.758 -3.402 1.00 0.00 H new ATOM 0 HB1 ALA A 3 11.266 16.092 -3.857 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.870 14.376 -3.603 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.149 14.990 -5.250 1.00 0.00 H new ATOM 36 N THR A 4 7.987 17.596 -4.840 1.00 0.00 N ATOM 37 CA THR A 4 7.595 18.818 -5.520 1.00 0.00 C ATOM 38 C THR A 4 8.428 20.014 -5.074 1.00 0.00 C ATOM 39 O THR A 4 8.086 20.675 -4.094 1.00 0.00 O ATOM 40 CB THR A 4 6.108 19.097 -5.265 1.00 0.00 C ATOM 41 OG1 THR A 4 5.788 18.737 -3.939 1.00 0.00 O ATOM 42 CG2 THR A 4 5.217 18.347 -6.251 1.00 0.00 C ATOM 0 H THR A 4 7.404 17.381 -4.031 1.00 0.00 H new ATOM 0 HA THR A 4 7.771 18.674 -6.586 1.00 0.00 H new ATOM 0 HB THR A 4 5.926 20.162 -5.411 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.476 19.081 -3.332 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.171 18.570 -6.039 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.455 18.660 -7.268 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.387 17.275 -6.152 1.00 0.00 H new ATOM 50 N THR A 5 9.521 20.290 -5.795 1.00 0.00 N ATOM 51 CA THR A 5 10.392 21.397 -5.556 1.00 0.00 C ATOM 52 C THR A 5 9.911 22.396 -6.610 1.00 0.00 C ATOM 53 O THR A 5 10.299 22.340 -7.777 1.00 0.00 O ATOM 54 CB THR A 5 11.833 20.901 -5.691 1.00 0.00 C ATOM 55 OG1 THR A 5 12.238 20.337 -4.461 1.00 0.00 O ATOM 56 CG2 THR A 5 12.751 22.047 -6.069 1.00 0.00 C ATOM 0 H THR A 5 9.815 19.715 -6.584 1.00 0.00 H new ATOM 0 HA THR A 5 10.373 21.862 -4.571 1.00 0.00 H new ATOM 0 HB THR A 5 11.888 20.147 -6.477 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.160 20.014 -4.537 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.773 21.679 -6.162 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.430 22.471 -7.020 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.710 22.815 -5.297 1.00 0.00 H new ATOM 64 N CYS A 6 9.035 23.302 -6.171 1.00 0.00 N ATOM 65 CA CYS A 6 8.431 24.339 -6.984 1.00 0.00 C ATOM 66 C CYS A 6 9.350 25.556 -6.924 1.00 0.00 C ATOM 67 O CYS A 6 9.046 26.555 -6.271 1.00 0.00 O ATOM 68 CB CYS A 6 7.006 24.599 -6.475 1.00 0.00 C ATOM 69 SG CYS A 6 5.778 23.314 -6.877 1.00 0.00 S ATOM 0 H CYS A 6 8.720 23.327 -5.201 1.00 0.00 H new ATOM 0 HA CYS A 6 8.329 24.056 -8.032 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.042 24.715 -5.392 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.660 25.548 -6.886 1.00 0.00 H new ATOM 74 N GLY A 7 10.490 25.438 -7.618 1.00 0.00 N ATOM 75 CA GLY A 7 11.526 26.452 -7.693 1.00 0.00 C ATOM 76 C GLY A 7 12.310 26.444 -6.386 1.00 0.00 C ATOM 77 O GLY A 7 13.197 25.610 -6.203 1.00 0.00 O ATOM 0 H GLY A 7 10.715 24.602 -8.158 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.190 26.253 -8.534 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.083 27.433 -7.862 1.00 0.00 H new ATOM 81 N SER A 8 11.970 27.373 -5.486 1.00 0.00 N ATOM 82 CA SER A 8 12.587 27.513 -4.175 1.00 0.00 C ATOM 83 C SER A 8 11.740 26.774 -3.140 1.00 0.00 C ATOM 84 O SER A 8 12.285 26.095 -2.269 1.00 0.00 O ATOM 85 CB SER A 8 12.742 29.000 -3.826 1.00 0.00 C ATOM 86 OG SER A 8 11.493 29.659 -3.816 1.00 0.00 O ATOM 0 H SER A 8 11.239 28.063 -5.660 1.00 0.00 H new ATOM 0 HA SER A 8 13.584 27.071 -4.180 1.00 0.00 H new ATOM 0 HB2 SER A 8 13.215 29.099 -2.849 1.00 0.00 H new ATOM 0 HB3 SER A 8 13.402 29.478 -4.550 1.00 0.00 H new ATOM 0 HG SER A 8 11.623 30.603 -3.589 1.00 0.00 H new ATOM 92 N THR A 9 10.410 26.912 -3.241 1.00 0.00 N ATOM 93 CA THR A 9 9.454 26.261 -2.357 1.00 0.00 C ATOM 94 C THR A 9 9.641 24.751 -2.518 1.00 0.00 C ATOM 95 O THR A 9 9.804 24.285 -3.644 1.00 0.00 O ATOM 96 CB THR A 9 8.014 26.686 -2.709 1.00 0.00 C ATOM 97 OG1 THR A 9 7.978 27.767 -3.620 1.00 0.00 O ATOM 98 CG2 THR A 9 7.263 27.089 -1.438 1.00 0.00 C ATOM 0 H THR A 9 9.969 27.491 -3.955 1.00 0.00 H new ATOM 0 HA THR A 9 9.625 26.552 -1.321 1.00 0.00 H new ATOM 0 HB THR A 9 7.537 25.827 -3.182 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.046 28.000 -3.815 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.247 27.388 -1.695 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.230 26.243 -0.751 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.777 27.924 -0.961 1.00 0.00 H new ATOM 106 N ASN A 10 9.630 23.991 -1.414 1.00 0.00 N ATOM 107 CA ASN A 10 9.832 22.549 -1.470 1.00 0.00 C ATOM 108 C ASN A 10 8.922 21.790 -0.511 1.00 0.00 C ATOM 109 O ASN A 10 8.870 22.087 0.682 1.00 0.00 O ATOM 110 CB ASN A 10 11.313 22.206 -1.246 1.00 0.00 C ATOM 111 CG ASN A 10 11.880 22.766 0.059 1.00 0.00 C ATOM 112 OD1 ASN A 10 11.899 22.074 1.076 1.00 0.00 O ATOM 113 ND2 ASN A 10 12.353 24.016 0.032 1.00 0.00 N ATOM 0 H ASN A 10 9.483 24.358 -0.474 1.00 0.00 H new ATOM 0 HA ASN A 10 9.551 22.219 -2.470 1.00 0.00 H new ATOM 0 HB2 ASN A 10 11.431 21.122 -1.248 1.00 0.00 H new ATOM 0 HB3 ASN A 10 11.897 22.592 -2.081 1.00 0.00 H new ATOM 0 HD21 ASN A 10 12.749 24.430 0.876 1.00 0.00 H new ATOM 0 HD22 ASN A 10 12.318 24.556 -0.833 1.00 0.00 H new ATOM 120 N TYR A 11 8.196 20.811 -1.069 1.00 0.00 N ATOM 121 CA TYR A 11 7.281 19.932 -0.363 1.00 0.00 C ATOM 122 C TYR A 11 7.626 18.486 -0.726 1.00 0.00 C ATOM 123 O TYR A 11 7.880 18.171 -1.890 1.00 0.00 O ATOM 124 CB TYR A 11 5.819 20.244 -0.727 1.00 0.00 C ATOM 125 CG TYR A 11 5.543 21.627 -1.280 1.00 0.00 C ATOM 126 CD1 TYR A 11 5.710 22.756 -0.462 1.00 0.00 C ATOM 127 CD2 TYR A 11 5.111 21.784 -2.610 1.00 0.00 C ATOM 128 CE1 TYR A 11 5.465 24.036 -0.981 1.00 0.00 C ATOM 129 CE2 TYR A 11 4.871 23.062 -3.130 1.00 0.00 C ATOM 130 CZ TYR A 11 5.057 24.187 -2.316 1.00 0.00 C ATOM 131 OH TYR A 11 4.835 25.423 -2.828 1.00 0.00 O ATOM 0 H TYR A 11 8.239 20.610 -2.068 1.00 0.00 H new ATOM 0 HA TYR A 11 7.387 20.085 0.711 1.00 0.00 H new ATOM 0 HB2 TYR A 11 5.485 19.510 -1.460 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.208 20.104 0.165 1.00 0.00 H new ATOM 0 HD1 TYR A 11 6.026 22.639 0.564 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.964 20.914 -3.233 1.00 0.00 H new ATOM 0 HE1 TYR A 11 5.590 24.906 -0.353 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.544 23.180 -4.153 1.00 0.00 H new ATOM 0 HH TYR A 11 5.028 25.419 -3.789 1.00 0.00 H new ATOM 141 N SER A 12 7.635 17.612 0.284 1.00 0.00 N ATOM 142 CA SER A 12 7.912 16.188 0.158 1.00 0.00 C ATOM 143 C SER A 12 6.845 15.504 -0.668 1.00 0.00 C ATOM 144 O SER A 12 5.756 16.045 -0.858 1.00 0.00 O ATOM 145 CB SER A 12 8.002 15.578 1.561 1.00 0.00 C ATOM 146 OG SER A 12 6.797 15.785 2.263 1.00 0.00 O ATOM 0 H SER A 12 7.442 17.892 1.246 1.00 0.00 H new ATOM 0 HA SER A 12 8.861 16.043 -0.359 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.209 14.510 1.488 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.831 16.027 2.108 1.00 0.00 H new ATOM 0 HG SER A 12 6.919 15.535 3.203 1.00 0.00 H new ATOM 152 N ALA A 13 7.174 14.307 -1.172 1.00 0.00 N ATOM 153 CA ALA A 13 6.223 13.508 -1.924 1.00 0.00 C ATOM 154 C ALA A 13 5.032 13.213 -0.994 1.00 0.00 C ATOM 155 O ALA A 13 3.960 12.840 -1.466 1.00 0.00 O ATOM 156 CB ALA A 13 6.884 12.204 -2.383 1.00 0.00 C ATOM 0 H ALA A 13 8.094 13.879 -1.067 1.00 0.00 H new ATOM 0 HA ALA A 13 5.885 14.040 -2.813 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.164 11.610 -2.946 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.740 12.434 -3.017 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.218 11.639 -1.513 1.00 0.00 H new ATOM 162 N SER A 14 5.231 13.402 0.326 1.00 0.00 N ATOM 163 CA SER A 14 4.207 13.184 1.339 1.00 0.00 C ATOM 164 C SER A 14 3.236 14.368 1.365 1.00 0.00 C ATOM 165 O SER A 14 2.042 14.162 1.572 1.00 0.00 O ATOM 166 CB SER A 14 4.846 12.946 2.712 1.00 0.00 C ATOM 167 OG SER A 14 3.848 12.585 3.644 1.00 0.00 O ATOM 0 H SER A 14 6.122 13.714 0.712 1.00 0.00 H new ATOM 0 HA SER A 14 3.640 12.288 1.085 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.596 12.158 2.643 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.360 13.847 3.046 1.00 0.00 H new ATOM 0 HG SER A 14 4.259 12.432 4.520 1.00 0.00 H new ATOM 173 N GLN A 15 3.735 15.599 1.169 1.00 0.00 N ATOM 174 CA GLN A 15 2.919 16.809 1.139 1.00 0.00 C ATOM 175 C GLN A 15 1.999 16.788 -0.079 1.00 0.00 C ATOM 176 O GLN A 15 0.841 17.196 0.011 1.00 0.00 O ATOM 177 CB GLN A 15 3.814 18.049 1.142 1.00 0.00 C ATOM 178 CG GLN A 15 4.443 18.269 2.523 1.00 0.00 C ATOM 179 CD GLN A 15 3.457 18.904 3.499 1.00 0.00 C ATOM 180 OE1 GLN A 15 2.984 18.248 4.425 1.00 0.00 O ATOM 181 NE2 GLN A 15 3.154 20.188 3.297 1.00 0.00 N ATOM 0 H GLN A 15 4.729 15.777 1.026 1.00 0.00 H new ATOM 0 HA GLN A 15 2.295 16.846 2.032 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.599 17.937 0.394 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.229 18.925 0.861 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.786 17.315 2.922 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.321 18.908 2.425 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.571 20.693 2.515 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.506 20.664 3.925 1.00 0.00 H new ATOM 190 N VAL A 16 2.526 16.320 -1.216 1.00 0.00 N ATOM 191 CA VAL A 16 1.769 16.194 -2.457 1.00 0.00 C ATOM 192 C VAL A 16 0.611 15.242 -2.173 1.00 0.00 C ATOM 193 O VAL A 16 -0.541 15.557 -2.461 1.00 0.00 O ATOM 194 CB VAL A 16 2.623 15.613 -3.596 1.00 0.00 C ATOM 195 CG1 VAL A 16 1.810 15.604 -4.893 1.00 0.00 C ATOM 196 CG2 VAL A 16 3.877 16.444 -3.836 1.00 0.00 C ATOM 0 H VAL A 16 3.497 16.017 -1.297 1.00 0.00 H new ATOM 0 HA VAL A 16 1.430 17.180 -2.776 1.00 0.00 H new ATOM 0 HB VAL A 16 2.913 14.603 -3.305 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.416 15.192 -5.700 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.919 14.991 -4.759 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.515 16.623 -5.145 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.456 16.003 -4.648 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.593 17.462 -4.104 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.481 16.462 -2.929 1.00 0.00 H new ATOM 206 N ARG A 17 0.951 14.082 -1.594 1.00 0.00 N ATOM 207 CA ARG A 17 0.026 13.021 -1.244 1.00 0.00 C ATOM 208 C ARG A 17 -0.958 13.473 -0.163 1.00 0.00 C ATOM 209 O ARG A 17 -2.036 12.903 -0.065 1.00 0.00 O ATOM 210 CB ARG A 17 0.824 11.792 -0.791 1.00 0.00 C ATOM 211 CG ARG A 17 -0.038 10.522 -0.743 1.00 0.00 C ATOM 212 CD ARG A 17 0.749 9.349 -0.146 1.00 0.00 C ATOM 213 NE ARG A 17 1.131 9.609 1.249 1.00 0.00 N ATOM 214 CZ ARG A 17 0.304 9.580 2.308 1.00 0.00 C ATOM 215 NH1 ARG A 17 -0.990 9.245 2.177 1.00 0.00 N ATOM 216 NH2 ARG A 17 0.781 9.899 3.519 1.00 0.00 N ATOM 0 H ARG A 17 1.916 13.859 -1.352 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.567 12.761 -2.121 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.661 11.635 -1.471 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.246 11.979 0.196 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.932 10.707 -0.147 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.373 10.267 -1.748 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.146 8.442 -0.196 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.644 9.170 -0.742 1.00 0.00 H new ATOM 0 HE ARG A 17 2.110 9.831 1.429 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.364 9.005 1.259 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.598 9.230 2.996 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.761 10.160 3.629 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.164 9.881 4.331 1.00 0.00 H new ATOM 230 N ALA A 18 -0.621 14.488 0.645 1.00 0.00 N ATOM 231 CA ALA A 18 -1.512 14.958 1.694 1.00 0.00 C ATOM 232 C ALA A 18 -2.698 15.668 1.046 1.00 0.00 C ATOM 233 O ALA A 18 -3.842 15.237 1.201 1.00 0.00 O ATOM 234 CB ALA A 18 -0.757 15.861 2.675 1.00 0.00 C ATOM 0 H ALA A 18 0.263 14.993 0.586 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.890 14.117 2.275 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.439 16.203 3.453 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.060 15.301 3.130 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.354 16.722 2.141 1.00 0.00 H new ATOM 240 N ALA A 19 -2.418 16.749 0.305 1.00 0.00 N ATOM 241 CA ALA A 19 -3.466 17.504 -0.369 1.00 0.00 C ATOM 242 C ALA A 19 -4.123 16.688 -1.482 1.00 0.00 C ATOM 243 O ALA A 19 -5.269 16.971 -1.826 1.00 0.00 O ATOM 244 CB ALA A 19 -2.950 18.837 -0.912 1.00 0.00 C ATOM 0 H ALA A 19 -1.476 17.114 0.162 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.225 17.722 0.382 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.763 19.368 -1.407 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.569 19.442 -0.089 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.149 18.653 -1.628 1.00 0.00 H new ATOM 250 N ALA A 20 -3.418 15.695 -2.051 1.00 0.00 N ATOM 251 CA ALA A 20 -3.968 14.856 -3.105 1.00 0.00 C ATOM 252 C ALA A 20 -4.864 13.767 -2.554 1.00 0.00 C ATOM 253 O ALA A 20 -5.878 13.463 -3.172 1.00 0.00 O ATOM 254 CB ALA A 20 -2.881 14.323 -4.041 1.00 0.00 C ATOM 0 H ALA A 20 -2.460 15.461 -1.789 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.608 15.489 -3.719 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.337 13.702 -4.812 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.362 15.159 -4.509 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.169 13.727 -3.470 1.00 0.00 H new ATOM 260 N ASN A 21 -4.504 13.169 -1.415 1.00 0.00 N ATOM 261 CA ASN A 21 -5.348 12.166 -0.789 1.00 0.00 C ATOM 262 C ASN A 21 -6.586 12.900 -0.259 1.00 0.00 C ATOM 263 O ASN A 21 -7.639 12.284 -0.082 1.00 0.00 O ATOM 264 CB ASN A 21 -4.592 11.460 0.344 1.00 0.00 C ATOM 265 CG ASN A 21 -5.452 10.402 1.031 1.00 0.00 C ATOM 266 OD1 ASN A 21 -5.538 9.270 0.560 1.00 0.00 O ATOM 267 ND2 ASN A 21 -6.089 10.767 2.147 1.00 0.00 N ATOM 0 H ASN A 21 -3.637 13.365 -0.915 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.639 11.393 -1.501 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.692 10.992 -0.056 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.268 12.197 1.079 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.675 10.095 2.643 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.990 11.718 2.503 1.00 0.00 H new ATOM 274 N ALA A 22 -6.468 14.222 -0.028 1.00 0.00 N ATOM 275 CA ALA A 22 -7.572 15.006 0.502 1.00 0.00 C ATOM 276 C ALA A 22 -8.512 15.204 -0.673 1.00 0.00 C ATOM 277 O ALA A 22 -9.635 14.711 -0.657 1.00 0.00 O ATOM 278 CB ALA A 22 -7.077 16.320 1.108 1.00 0.00 C ATOM 0 H ALA A 22 -5.617 14.757 -0.203 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.085 14.507 1.324 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.925 16.884 1.496 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.381 16.107 1.920 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.571 16.907 0.341 1.00 0.00 H new ATOM 284 N ALA A 23 -8.027 15.937 -1.680 1.00 0.00 N ATOM 285 CA ALA A 23 -8.731 16.207 -2.924 1.00 0.00 C ATOM 286 C ALA A 23 -9.382 14.939 -3.503 1.00 0.00 C ATOM 287 O ALA A 23 -10.525 14.976 -3.938 1.00 0.00 O ATOM 288 CB ALA A 23 -7.740 16.798 -3.928 1.00 0.00 C ATOM 0 H ALA A 23 -7.104 16.370 -1.644 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.535 16.914 -2.722 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.253 17.006 -4.867 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.325 17.724 -3.528 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.934 16.086 -4.105 1.00 0.00 H new ATOM 294 N CYS A 24 -8.673 13.804 -3.505 1.00 0.00 N ATOM 295 CA CYS A 24 -9.181 12.547 -4.038 1.00 0.00 C ATOM 296 C CYS A 24 -10.416 12.071 -3.279 1.00 0.00 C ATOM 297 O CYS A 24 -11.414 11.711 -3.899 1.00 0.00 O ATOM 298 CB CYS A 24 -8.084 11.472 -3.993 1.00 0.00 C ATOM 299 SG CYS A 24 -8.676 9.758 -4.110 1.00 0.00 S ATOM 0 H CYS A 24 -7.725 13.738 -3.133 1.00 0.00 H new ATOM 0 HA CYS A 24 -9.475 12.720 -5.073 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -7.385 11.655 -4.809 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -7.526 11.584 -3.064 1.00 0.00 H new ATOM 304 N GLN A 25 -10.353 12.066 -1.945 1.00 0.00 N ATOM 305 CA GLN A 25 -11.439 11.605 -1.095 1.00 0.00 C ATOM 306 C GLN A 25 -12.575 12.607 -0.869 1.00 0.00 C ATOM 307 O GLN A 25 -13.693 12.175 -0.585 1.00 0.00 O ATOM 308 CB GLN A 25 -10.805 11.193 0.243 1.00 0.00 C ATOM 309 CG GLN A 25 -11.766 10.454 1.176 1.00 0.00 C ATOM 310 CD GLN A 25 -11.041 9.975 2.431 1.00 0.00 C ATOM 311 OE1 GLN A 25 -11.220 10.541 3.507 1.00 0.00 O ATOM 312 NE2 GLN A 25 -10.218 8.932 2.294 1.00 0.00 N ATOM 0 H GLN A 25 -9.536 12.386 -1.425 1.00 0.00 H new ATOM 0 HA GLN A 25 -11.931 10.777 -1.606 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.942 10.556 0.046 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.434 12.084 0.749 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -12.588 11.113 1.455 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -12.203 9.602 0.655 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -10.099 8.492 1.381 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -9.708 8.575 3.102 1.00 0.00 H new ATOM 321 N TYR A 26 -12.324 13.918 -1.002 1.00 0.00 N ATOM 322 CA TYR A 26 -13.322 14.953 -0.744 1.00 0.00 C ATOM 323 C TYR A 26 -13.811 15.763 -1.950 1.00 0.00 C ATOM 324 O TYR A 26 -14.953 16.219 -1.934 1.00 0.00 O ATOM 325 CB TYR A 26 -12.749 15.895 0.328 1.00 0.00 C ATOM 326 CG TYR A 26 -12.186 15.213 1.569 1.00 0.00 C ATOM 327 CD1 TYR A 26 -12.962 14.291 2.298 1.00 0.00 C ATOM 328 CD2 TYR A 26 -10.877 15.503 1.998 1.00 0.00 C ATOM 329 CE1 TYR A 26 -12.438 13.676 3.449 1.00 0.00 C ATOM 330 CE2 TYR A 26 -10.352 14.888 3.147 1.00 0.00 C ATOM 331 CZ TYR A 26 -11.135 13.979 3.878 1.00 0.00 C ATOM 332 OH TYR A 26 -10.629 13.386 4.999 1.00 0.00 O ATOM 0 H TYR A 26 -11.418 14.286 -1.293 1.00 0.00 H new ATOM 0 HA TYR A 26 -14.219 14.426 -0.420 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -11.960 16.495 -0.125 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -13.535 16.584 0.638 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -13.964 14.055 1.972 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.272 16.203 1.440 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -13.038 12.970 4.004 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.346 15.114 3.468 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.716 13.705 5.154 1.00 0.00 H new ATOM 342 N TYR A 27 -12.989 15.943 -2.993 1.00 0.00 N ATOM 343 CA TYR A 27 -13.347 16.728 -4.176 1.00 0.00 C ATOM 344 C TYR A 27 -14.336 16.024 -5.112 1.00 0.00 C ATOM 345 O TYR A 27 -14.758 16.613 -6.107 1.00 0.00 O ATOM 346 CB TYR A 27 -12.074 17.272 -4.883 1.00 0.00 C ATOM 347 CG TYR A 27 -11.538 16.681 -6.196 1.00 0.00 C ATOM 348 CD1 TYR A 27 -11.839 15.375 -6.652 1.00 0.00 C ATOM 349 CD2 TYR A 27 -10.691 17.488 -6.990 1.00 0.00 C ATOM 350 CE1 TYR A 27 -11.335 14.910 -7.878 1.00 0.00 C ATOM 351 CE2 TYR A 27 -10.182 17.014 -8.206 1.00 0.00 C ATOM 352 CZ TYR A 27 -10.509 15.734 -8.655 1.00 0.00 C ATOM 353 OH TYR A 27 -10.018 15.317 -9.850 1.00 0.00 O ATOM 0 H TYR A 27 -12.051 15.544 -3.037 1.00 0.00 H new ATOM 0 HA TYR A 27 -13.909 17.595 -3.830 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -12.250 18.332 -5.068 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -11.263 17.205 -4.158 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -12.463 14.730 -6.051 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -10.433 18.482 -6.655 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -11.584 13.917 -8.222 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.534 17.642 -8.799 1.00 0.00 H new ATOM 0 HH TYR A 27 -9.163 15.763 -10.026 1.00 0.00 H new ATOM 363 N GLN A 28 -14.709 14.776 -4.794 1.00 0.00 N ATOM 364 CA GLN A 28 -15.611 13.963 -5.596 1.00 0.00 C ATOM 365 C GLN A 28 -17.031 14.511 -5.633 1.00 0.00 C ATOM 366 O GLN A 28 -17.614 14.593 -6.713 1.00 0.00 O ATOM 367 CB GLN A 28 -15.614 12.523 -5.067 1.00 0.00 C ATOM 368 CG GLN A 28 -14.295 11.827 -5.415 1.00 0.00 C ATOM 369 CD GLN A 28 -14.222 10.404 -4.862 1.00 0.00 C ATOM 370 OE1 GLN A 28 -14.164 9.443 -5.627 1.00 0.00 O ATOM 371 NE2 GLN A 28 -14.213 10.264 -3.533 1.00 0.00 N ATOM 0 H GLN A 28 -14.381 14.301 -3.953 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.241 13.987 -6.621 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.758 12.525 -3.987 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -16.449 11.971 -5.499 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -14.177 11.799 -6.498 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -13.464 12.411 -5.019 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.263 11.087 -2.933 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -14.156 9.334 -3.119 1.00 0.00 H new ATOM 380 N ASN A 29 -17.580 14.885 -4.469 1.00 0.00 N ATOM 381 CA ASN A 29 -18.940 15.395 -4.373 1.00 0.00 C ATOM 382 C ASN A 29 -19.002 16.653 -3.508 1.00 0.00 C ATOM 383 O ASN A 29 -19.027 17.763 -4.037 1.00 0.00 O ATOM 384 CB ASN A 29 -19.849 14.267 -3.860 1.00 0.00 C ATOM 385 CG ASN A 29 -21.297 14.720 -3.675 1.00 0.00 C ATOM 386 OD1 ASN A 29 -21.764 14.869 -2.548 1.00 0.00 O ATOM 387 ND2 ASN A 29 -22.008 14.936 -4.784 1.00 0.00 N ATOM 0 H ASN A 29 -17.090 14.840 -3.575 1.00 0.00 H new ATOM 0 HA ASN A 29 -19.296 15.703 -5.356 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -19.819 13.433 -4.562 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -19.463 13.898 -2.910 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -22.980 15.237 -4.716 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -21.579 14.800 -5.699 1.00 0.00 H new ATOM 394 N ASP A 30 -19.018 16.472 -2.185 1.00 0.00 N ATOM 395 CA ASP A 30 -19.102 17.537 -1.200 1.00 0.00 C ATOM 396 C ASP A 30 -18.854 16.896 0.158 1.00 0.00 C ATOM 397 O ASP A 30 -19.743 16.256 0.720 1.00 0.00 O ATOM 398 CB ASP A 30 -20.476 18.223 -1.253 1.00 0.00 C ATOM 399 CG ASP A 30 -20.622 19.274 -0.154 1.00 0.00 C ATOM 400 OD1 ASP A 30 -20.019 20.359 -0.315 1.00 0.00 O ATOM 401 OD2 ASP A 30 -21.329 18.974 0.833 1.00 0.00 O ATOM 0 H ASP A 30 -18.971 15.545 -1.762 1.00 0.00 H new ATOM 0 HA ASP A 30 -18.363 18.314 -1.397 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -20.611 18.693 -2.227 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -21.261 17.475 -1.148 1.00 0.00 H new ATOM 406 N ASP A 31 -17.632 17.065 0.670 1.00 0.00 N ATOM 407 CA ASP A 31 -17.200 16.507 1.938 1.00 0.00 C ATOM 408 C ASP A 31 -16.314 17.503 2.682 1.00 0.00 C ATOM 409 O ASP A 31 -16.214 18.671 2.303 1.00 0.00 O ATOM 410 CB ASP A 31 -16.474 15.183 1.667 1.00 0.00 C ATOM 411 CG ASP A 31 -17.313 14.190 0.862 1.00 0.00 C ATOM 412 OD1 ASP A 31 -18.087 13.447 1.506 1.00 0.00 O ATOM 413 OD2 ASP A 31 -17.170 14.194 -0.381 1.00 0.00 O ATOM 0 H ASP A 31 -16.907 17.606 0.199 1.00 0.00 H new ATOM 0 HA ASP A 31 -18.060 16.309 2.578 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -15.549 15.387 1.129 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -16.196 14.727 2.617 1.00 0.00 H new ATOM 418 N THR A 32 -15.677 17.024 3.755 1.00 0.00 N ATOM 419 CA THR A 32 -14.802 17.787 4.624 1.00 0.00 C ATOM 420 C THR A 32 -13.476 18.138 3.944 1.00 0.00 C ATOM 421 O THR A 32 -12.496 17.416 4.106 1.00 0.00 O ATOM 422 CB THR A 32 -14.603 17.003 5.933 1.00 0.00 C ATOM 423 OG1 THR A 32 -14.086 15.711 5.671 1.00 0.00 O ATOM 424 CG2 THR A 32 -15.936 16.862 6.677 1.00 0.00 C ATOM 0 H THR A 32 -15.767 16.051 4.047 1.00 0.00 H new ATOM 0 HA THR A 32 -15.268 18.745 4.853 1.00 0.00 H new ATOM 0 HB THR A 32 -13.894 17.557 6.549 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.354 15.777 5.023 1.00 0.00 H new ATOM 0 HG21 THR A 32 -15.780 16.305 7.601 1.00 0.00 H new ATOM 0 HG22 THR A 32 -16.328 17.852 6.911 1.00 0.00 H new ATOM 0 HG23 THR A 32 -16.649 16.329 6.048 1.00 0.00 H new ATOM 432 N ALA A 33 -13.494 19.247 3.184 1.00 0.00 N ATOM 433 CA ALA A 33 -12.404 19.881 2.433 1.00 0.00 C ATOM 434 C ALA A 33 -12.862 20.353 1.052 1.00 0.00 C ATOM 435 O ALA A 33 -13.898 19.926 0.544 1.00 0.00 O ATOM 436 CB ALA A 33 -11.145 19.018 2.289 1.00 0.00 C ATOM 0 H ALA A 33 -14.361 19.772 3.071 1.00 0.00 H new ATOM 0 HA ALA A 33 -12.127 20.742 3.041 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -10.392 19.565 1.721 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -10.752 18.780 3.277 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -11.395 18.095 1.766 1.00 0.00 H new ATOM 442 N GLY A 34 -12.051 21.242 0.461 1.00 0.00 N ATOM 443 CA GLY A 34 -12.243 21.839 -0.850 1.00 0.00 C ATOM 444 C GLY A 34 -11.563 23.208 -0.868 1.00 0.00 C ATOM 445 O GLY A 34 -10.397 23.308 -1.240 1.00 0.00 O ATOM 0 H GLY A 34 -11.201 21.575 0.916 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.821 21.197 -1.623 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -13.306 21.942 -1.066 1.00 0.00 H new ATOM 449 N SER A 35 -12.318 24.234 -0.448 1.00 0.00 N ATOM 450 CA SER A 35 -11.971 25.651 -0.331 1.00 0.00 C ATOM 451 C SER A 35 -13.300 26.411 -0.344 1.00 0.00 C ATOM 452 O SER A 35 -13.932 26.576 0.698 1.00 0.00 O ATOM 453 CB SER A 35 -10.997 26.130 -1.427 1.00 0.00 C ATOM 454 OG SER A 35 -10.857 27.537 -1.405 1.00 0.00 O ATOM 0 H SER A 35 -13.281 24.072 -0.154 1.00 0.00 H new ATOM 0 HA SER A 35 -11.423 25.837 0.593 1.00 0.00 H new ATOM 0 HB2 SER A 35 -10.023 25.662 -1.282 1.00 0.00 H new ATOM 0 HB3 SER A 35 -11.360 25.813 -2.405 1.00 0.00 H new ATOM 0 HG SER A 35 -10.196 27.789 -0.726 1.00 0.00 H new ATOM 460 N SER A 36 -13.709 26.876 -1.528 1.00 0.00 N ATOM 461 CA SER A 36 -14.951 27.595 -1.768 1.00 0.00 C ATOM 462 C SER A 36 -15.210 27.470 -3.263 1.00 0.00 C ATOM 463 O SER A 36 -16.268 27.008 -3.689 1.00 0.00 O ATOM 464 CB SER A 36 -14.855 29.052 -1.293 1.00 0.00 C ATOM 465 OG SER A 36 -13.722 29.709 -1.825 1.00 0.00 O ATOM 0 H SER A 36 -13.157 26.754 -2.377 1.00 0.00 H new ATOM 0 HA SER A 36 -15.784 27.179 -1.201 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.757 29.589 -1.587 1.00 0.00 H new ATOM 0 HB3 SER A 36 -14.810 29.076 -0.204 1.00 0.00 H new ATOM 0 HG SER A 36 -13.698 30.633 -1.501 1.00 0.00 H new ATOM 471 N THR A 37 -14.212 27.886 -4.047 1.00 0.00 N ATOM 472 CA THR A 37 -14.214 27.823 -5.489 1.00 0.00 C ATOM 473 C THR A 37 -13.820 26.393 -5.849 1.00 0.00 C ATOM 474 O THR A 37 -14.645 25.623 -6.332 1.00 0.00 O ATOM 475 CB THR A 37 -13.238 28.872 -6.055 1.00 0.00 C ATOM 476 OG1 THR A 37 -12.012 28.887 -5.348 1.00 0.00 O ATOM 477 CG2 THR A 37 -13.864 30.265 -5.978 1.00 0.00 C ATOM 0 H THR A 37 -13.354 28.289 -3.669 1.00 0.00 H new ATOM 0 HA THR A 37 -15.188 28.055 -5.921 1.00 0.00 H new ATOM 0 HB THR A 37 -13.038 28.600 -7.091 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.312 28.478 -5.898 1.00 0.00 H new ATOM 0 HG21 THR A 37 -13.167 31.000 -6.380 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.786 30.282 -6.560 1.00 0.00 H new ATOM 0 HG23 THR A 37 -14.087 30.507 -4.939 1.00 0.00 H new ATOM 485 N TYR A 38 -12.557 26.038 -5.591 1.00 0.00 N ATOM 486 CA TYR A 38 -12.000 24.729 -5.895 1.00 0.00 C ATOM 487 C TYR A 38 -12.705 23.673 -5.040 1.00 0.00 C ATOM 488 O TYR A 38 -12.986 23.934 -3.869 1.00 0.00 O ATOM 489 CB TYR A 38 -10.465 24.774 -5.773 1.00 0.00 C ATOM 490 CG TYR A 38 -9.862 26.057 -6.335 1.00 0.00 C ATOM 491 CD1 TYR A 38 -10.393 26.641 -7.503 1.00 0.00 C ATOM 492 CD2 TYR A 38 -8.781 26.684 -5.691 1.00 0.00 C ATOM 493 CE1 TYR A 38 -9.857 27.830 -8.017 1.00 0.00 C ATOM 494 CE2 TYR A 38 -8.256 27.883 -6.198 1.00 0.00 C ATOM 495 CZ TYR A 38 -8.791 28.462 -7.357 1.00 0.00 C ATOM 496 OH TYR A 38 -8.263 29.624 -7.840 1.00 0.00 O ATOM 0 H TYR A 38 -11.885 26.670 -5.156 1.00 0.00 H new ATOM 0 HA TYR A 38 -12.187 24.437 -6.928 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -10.186 24.677 -4.724 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -10.039 23.918 -6.297 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -11.222 26.167 -8.007 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -8.353 26.242 -4.803 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -10.264 28.260 -8.920 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.433 28.364 -5.691 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.210 30.284 -7.118 1.00 0.00 H new ATOM 506 N PRO A 39 -12.992 22.481 -5.590 1.00 0.00 N ATOM 507 CA PRO A 39 -12.643 22.020 -6.930 1.00 0.00 C ATOM 508 C PRO A 39 -13.404 22.677 -8.088 1.00 0.00 C ATOM 509 O PRO A 39 -14.627 22.801 -8.045 1.00 0.00 O ATOM 510 CB PRO A 39 -12.933 20.521 -6.907 1.00 0.00 C ATOM 511 CG PRO A 39 -14.099 20.414 -5.926 1.00 0.00 C ATOM 512 CD PRO A 39 -13.693 21.435 -4.865 1.00 0.00 C ATOM 0 HA PRO A 39 -11.605 22.286 -7.130 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -13.201 20.146 -7.895 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -12.069 19.947 -6.572 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -15.052 20.663 -6.392 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -14.198 19.410 -5.513 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -14.566 21.832 -4.347 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -13.052 20.983 -4.109 1.00 0.00 H new ATOM 520 N HIS A 40 -12.643 23.081 -9.119 1.00 0.00 N ATOM 521 CA HIS A 40 -13.100 23.712 -10.352 1.00 0.00 C ATOM 522 C HIS A 40 -12.433 23.011 -11.527 1.00 0.00 C ATOM 523 O HIS A 40 -11.234 22.735 -11.474 1.00 0.00 O ATOM 524 CB HIS A 40 -12.690 25.191 -10.412 1.00 0.00 C ATOM 525 CG HIS A 40 -13.674 26.156 -9.808 1.00 0.00 C ATOM 526 ND1 HIS A 40 -13.501 27.530 -9.865 1.00 0.00 N ATOM 527 CD2 HIS A 40 -14.857 25.971 -9.138 1.00 0.00 C ATOM 528 CE1 HIS A 40 -14.556 28.092 -9.251 1.00 0.00 C ATOM 529 NE2 HIS A 40 -15.421 27.192 -8.783 1.00 0.00 N ATOM 0 H HIS A 40 -11.630 22.965 -9.105 1.00 0.00 H new ATOM 0 HA HIS A 40 -14.187 23.638 -10.389 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -11.733 25.307 -9.903 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -12.531 25.465 -11.455 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -15.292 25.007 -8.916 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -14.689 29.159 -9.148 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -16.293 27.360 -8.281 1.00 0.00 H new ATOM 537 N THR A 41 -13.222 22.747 -12.577 1.00 0.00 N ATOM 538 CA THR A 41 -12.833 22.116 -13.812 1.00 0.00 C ATOM 539 C THR A 41 -11.581 22.786 -14.375 1.00 0.00 C ATOM 540 O THR A 41 -11.553 24.002 -14.561 1.00 0.00 O ATOM 541 CB THR A 41 -14.029 22.241 -14.763 1.00 0.00 C ATOM 542 OG1 THR A 41 -15.215 21.836 -14.104 1.00 0.00 O ATOM 543 CG2 THR A 41 -13.814 21.348 -15.971 1.00 0.00 C ATOM 0 H THR A 41 -14.212 22.991 -12.570 1.00 0.00 H new ATOM 0 HA THR A 41 -12.580 21.066 -13.668 1.00 0.00 H new ATOM 0 HB THR A 41 -14.121 23.280 -15.078 1.00 0.00 H new ATOM 0 HG1 THR A 41 -15.975 21.920 -14.717 1.00 0.00 H new ATOM 0 HG21 THR A 41 -14.665 21.438 -16.646 1.00 0.00 H new ATOM 0 HG22 THR A 41 -12.905 21.651 -16.491 1.00 0.00 H new ATOM 0 HG23 THR A 41 -13.717 20.312 -15.645 1.00 0.00 H new ATOM 551 N TYR A 42 -10.554 21.975 -14.638 1.00 0.00 N ATOM 552 CA TYR A 42 -9.268 22.410 -15.154 1.00 0.00 C ATOM 553 C TYR A 42 -9.348 22.635 -16.666 1.00 0.00 C ATOM 554 O TYR A 42 -8.785 21.868 -17.447 1.00 0.00 O ATOM 555 CB TYR A 42 -8.225 21.360 -14.762 1.00 0.00 C ATOM 556 CG TYR A 42 -6.799 21.743 -15.083 1.00 0.00 C ATOM 557 CD1 TYR A 42 -6.174 22.765 -14.347 1.00 0.00 C ATOM 558 CD2 TYR A 42 -6.094 21.080 -16.105 1.00 0.00 C ATOM 559 CE1 TYR A 42 -4.846 23.122 -14.628 1.00 0.00 C ATOM 560 CE2 TYR A 42 -4.767 21.435 -16.385 1.00 0.00 C ATOM 561 CZ TYR A 42 -4.145 22.454 -15.644 1.00 0.00 C ATOM 562 OH TYR A 42 -2.856 22.789 -15.909 1.00 0.00 O ATOM 0 H TYR A 42 -10.603 20.967 -14.491 1.00 0.00 H new ATOM 0 HA TYR A 42 -8.975 23.368 -14.724 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -8.304 21.169 -13.692 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -8.460 20.425 -15.271 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.716 23.276 -13.565 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -6.575 20.298 -16.673 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -4.365 23.908 -14.064 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -4.224 20.927 -17.168 1.00 0.00 H new ATOM 0 HH TYR A 42 -2.266 22.363 -15.253 1.00 0.00 H new ATOM 572 N ASN A 43 -10.057 23.695 -17.072 1.00 0.00 N ATOM 573 CA ASN A 43 -10.224 24.064 -18.468 1.00 0.00 C ATOM 574 C ASN A 43 -10.739 25.499 -18.572 1.00 0.00 C ATOM 575 O ASN A 43 -11.484 25.967 -17.711 1.00 0.00 O ATOM 576 CB ASN A 43 -11.198 23.095 -19.157 1.00 0.00 C ATOM 577 CG ASN A 43 -11.370 23.417 -20.640 1.00 0.00 C ATOM 578 OD1 ASN A 43 -12.446 23.828 -21.069 1.00 0.00 O ATOM 579 ND2 ASN A 43 -10.304 23.237 -21.425 1.00 0.00 N ATOM 0 H ASN A 43 -10.534 24.324 -16.426 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.258 24.002 -18.969 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -10.832 22.074 -19.047 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -12.167 23.141 -18.661 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.364 23.443 -22.422 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.430 22.894 -21.027 1.00 0.00 H new ATOM 586 N ASN A 44 -10.325 26.186 -19.642 1.00 0.00 N ATOM 587 CA ASN A 44 -10.697 27.553 -19.966 1.00 0.00 C ATOM 588 C ASN A 44 -10.375 27.766 -21.445 1.00 0.00 C ATOM 589 O ASN A 44 -11.280 27.829 -22.273 1.00 0.00 O ATOM 590 CB ASN A 44 -9.956 28.541 -19.050 1.00 0.00 C ATOM 591 CG ASN A 44 -10.135 29.990 -19.506 1.00 0.00 C ATOM 592 OD1 ASN A 44 -9.153 30.682 -19.766 1.00 0.00 O ATOM 593 ND2 ASN A 44 -11.386 30.444 -19.612 1.00 0.00 N ATOM 0 H ASN A 44 -9.693 25.779 -20.332 1.00 0.00 H new ATOM 0 HA ASN A 44 -11.759 27.731 -19.799 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -10.323 28.434 -18.029 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -8.894 28.294 -19.034 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -11.557 31.401 -19.920 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -12.171 29.833 -19.385 1.00 0.00 H new ATOM 600 N TYR A 45 -9.075 27.867 -21.748 1.00 0.00 N ATOM 601 CA TYR A 45 -8.502 28.050 -23.074 1.00 0.00 C ATOM 602 C TYR A 45 -7.091 27.450 -23.076 1.00 0.00 C ATOM 603 O TYR A 45 -6.705 26.802 -24.048 1.00 0.00 O ATOM 604 CB TYR A 45 -8.521 29.530 -23.496 1.00 0.00 C ATOM 605 CG TYR A 45 -9.913 30.087 -23.745 1.00 0.00 C ATOM 606 CD1 TYR A 45 -10.711 29.547 -24.774 1.00 0.00 C ATOM 607 CD2 TYR A 45 -10.422 31.132 -22.950 1.00 0.00 C ATOM 608 CE1 TYR A 45 -12.007 30.043 -25.001 1.00 0.00 C ATOM 609 CE2 TYR A 45 -11.717 31.630 -23.180 1.00 0.00 C ATOM 610 CZ TYR A 45 -12.513 31.081 -24.201 1.00 0.00 C ATOM 611 OH TYR A 45 -13.774 31.558 -24.418 1.00 0.00 O ATOM 0 H TYR A 45 -8.357 27.819 -21.025 1.00 0.00 H new ATOM 0 HA TYR A 45 -9.105 27.529 -23.818 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.037 30.124 -22.721 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.928 29.646 -24.403 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -10.325 28.749 -25.391 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.816 31.552 -22.161 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -12.614 29.626 -25.791 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -12.101 32.435 -22.571 1.00 0.00 H new ATOM 0 HH TYR A 45 -13.968 32.273 -23.777 1.00 0.00 H new ATOM 621 N GLU A 46 -6.331 27.659 -21.987 1.00 0.00 N ATOM 622 CA GLU A 46 -4.979 27.149 -21.790 1.00 0.00 C ATOM 623 C GLU A 46 -4.940 26.216 -20.576 1.00 0.00 C ATOM 624 O GLU A 46 -5.841 26.230 -19.736 1.00 0.00 O ATOM 625 CB GLU A 46 -3.984 28.308 -21.609 1.00 0.00 C ATOM 626 CG GLU A 46 -3.644 29.026 -22.922 1.00 0.00 C ATOM 627 CD GLU A 46 -2.622 28.273 -23.780 1.00 0.00 C ATOM 628 OE1 GLU A 46 -2.946 27.153 -24.232 1.00 0.00 O ATOM 629 OE2 GLU A 46 -1.524 28.839 -23.981 1.00 0.00 O ATOM 0 H GLU A 46 -6.662 28.210 -21.195 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.688 26.584 -22.676 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.401 29.029 -20.906 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -3.066 27.924 -21.165 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.559 29.166 -23.498 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.255 30.019 -22.695 1.00 0.00 H new ATOM 636 N GLY A 47 -3.882 25.400 -20.504 1.00 0.00 N ATOM 637 CA GLY A 47 -3.645 24.447 -19.432 1.00 0.00 C ATOM 638 C GLY A 47 -2.412 23.595 -19.737 1.00 0.00 C ATOM 639 O GLY A 47 -2.029 23.449 -20.899 1.00 0.00 O ATOM 0 H GLY A 47 -3.150 25.390 -21.214 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.504 24.977 -18.490 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.517 23.805 -19.309 1.00 0.00 H new ATOM 643 N PHE A 48 -1.792 23.037 -18.690 1.00 0.00 N ATOM 644 CA PHE A 48 -0.615 22.186 -18.808 1.00 0.00 C ATOM 645 C PHE A 48 -0.978 20.812 -19.361 1.00 0.00 C ATOM 646 O PHE A 48 -2.118 20.365 -19.249 1.00 0.00 O ATOM 647 CB PHE A 48 0.083 22.008 -17.447 1.00 0.00 C ATOM 648 CG PHE A 48 1.402 22.729 -17.339 1.00 0.00 C ATOM 649 CD1 PHE A 48 2.514 22.230 -18.037 1.00 0.00 C ATOM 650 CD2 PHE A 48 1.519 23.887 -16.551 1.00 0.00 C ATOM 651 CE1 PHE A 48 3.747 22.895 -17.959 1.00 0.00 C ATOM 652 CE2 PHE A 48 2.758 24.547 -16.462 1.00 0.00 C ATOM 653 CZ PHE A 48 3.867 24.054 -17.175 1.00 0.00 C ATOM 0 H PHE A 48 -2.102 23.169 -17.727 1.00 0.00 H new ATOM 0 HA PHE A 48 0.065 22.683 -19.500 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.581 22.365 -16.660 1.00 0.00 H new ATOM 0 HB3 PHE A 48 0.245 20.945 -17.269 1.00 0.00 H new ATOM 0 HD1 PHE A 48 2.420 21.335 -18.634 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.662 24.268 -16.016 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.601 22.517 -18.500 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.858 25.430 -15.848 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.814 24.569 -17.119 1.00 0.00 H new ATOM 663 N ASP A 49 0.025 20.152 -19.951 1.00 0.00 N ATOM 664 CA ASP A 49 -0.114 18.826 -20.520 1.00 0.00 C ATOM 665 C ASP A 49 0.167 17.790 -19.433 1.00 0.00 C ATOM 666 O ASP A 49 1.264 17.751 -18.876 1.00 0.00 O ATOM 667 CB ASP A 49 0.837 18.650 -21.704 1.00 0.00 C ATOM 668 CG ASP A 49 0.532 19.639 -22.828 1.00 0.00 C ATOM 669 OD1 ASP A 49 -0.372 19.327 -23.633 1.00 0.00 O ATOM 670 OD2 ASP A 49 1.205 20.693 -22.859 1.00 0.00 O ATOM 0 H ASP A 49 0.965 20.538 -20.043 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.130 18.689 -20.891 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.865 18.787 -21.368 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.759 17.632 -22.085 1.00 0.00 H new ATOM 675 N PHE A 50 -0.839 16.957 -19.152 1.00 0.00 N ATOM 676 CA PHE A 50 -0.807 15.885 -18.170 1.00 0.00 C ATOM 677 C PHE A 50 -1.340 14.636 -18.883 1.00 0.00 C ATOM 678 O PHE A 50 -2.553 14.517 -19.038 1.00 0.00 O ATOM 679 CB PHE A 50 -1.668 16.252 -16.947 1.00 0.00 C ATOM 680 CG PHE A 50 -1.288 17.513 -16.178 1.00 0.00 C ATOM 681 CD1 PHE A 50 0.061 17.820 -15.902 1.00 0.00 C ATOM 682 CD2 PHE A 50 -2.300 18.381 -15.719 1.00 0.00 C ATOM 683 CE1 PHE A 50 0.391 18.987 -15.192 1.00 0.00 C ATOM 684 CE2 PHE A 50 -1.967 19.539 -14.995 1.00 0.00 C ATOM 685 CZ PHE A 50 -0.623 19.847 -14.735 1.00 0.00 C ATOM 0 H PHE A 50 -1.738 17.020 -19.629 1.00 0.00 H new ATOM 0 HA PHE A 50 0.201 15.710 -17.794 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.700 16.358 -17.281 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.643 15.413 -16.252 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.843 17.155 -16.238 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.336 18.155 -15.925 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.426 19.224 -14.997 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.748 20.194 -14.638 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.368 20.741 -14.186 1.00 0.00 H new ATOM 695 N PRO A 51 -0.471 13.707 -19.332 1.00 0.00 N ATOM 696 CA PRO A 51 -0.872 12.499 -20.042 1.00 0.00 C ATOM 697 C PRO A 51 -1.488 11.471 -19.087 1.00 0.00 C ATOM 698 O PRO A 51 -0.856 10.481 -18.724 1.00 0.00 O ATOM 699 CB PRO A 51 0.401 12.001 -20.734 1.00 0.00 C ATOM 700 CG PRO A 51 1.503 12.435 -19.771 1.00 0.00 C ATOM 701 CD PRO A 51 0.978 13.755 -19.205 1.00 0.00 C ATOM 0 HA PRO A 51 -1.656 12.685 -20.776 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.389 10.920 -20.874 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.527 12.448 -21.720 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.664 11.697 -18.986 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.456 12.568 -20.284 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.273 13.876 -18.163 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.388 14.603 -19.753 1.00 0.00 H new ATOM 709 N VAL A 52 -2.737 11.734 -18.690 1.00 0.00 N ATOM 710 CA VAL A 52 -3.543 10.912 -17.801 1.00 0.00 C ATOM 711 C VAL A 52 -4.988 10.885 -18.310 1.00 0.00 C ATOM 712 O VAL A 52 -5.632 9.840 -18.240 1.00 0.00 O ATOM 713 CB VAL A 52 -3.465 11.455 -16.362 1.00 0.00 C ATOM 714 CG1 VAL A 52 -4.268 10.557 -15.413 1.00 0.00 C ATOM 715 CG2 VAL A 52 -2.021 11.541 -15.852 1.00 0.00 C ATOM 0 H VAL A 52 -3.232 12.570 -18.999 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.160 9.892 -17.791 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.884 12.461 -16.381 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.205 10.951 -14.399 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.311 10.534 -15.729 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.860 9.547 -15.435 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.017 11.929 -14.833 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.571 10.548 -15.864 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.447 12.207 -16.496 1.00 0.00 H new ATOM 725 N ASP A 53 -5.483 12.029 -18.815 1.00 0.00 N ATOM 726 CA ASP A 53 -6.827 12.251 -19.344 1.00 0.00 C ATOM 727 C ASP A 53 -7.793 12.481 -18.184 1.00 0.00 C ATOM 728 O ASP A 53 -8.119 11.552 -17.447 1.00 0.00 O ATOM 729 CB ASP A 53 -7.296 11.149 -20.309 1.00 0.00 C ATOM 730 CG ASP A 53 -6.281 10.912 -21.426 1.00 0.00 C ATOM 731 OD1 ASP A 53 -6.182 11.796 -22.304 1.00 0.00 O ATOM 732 OD2 ASP A 53 -5.615 9.855 -21.380 1.00 0.00 O ATOM 0 H ASP A 53 -4.913 12.873 -18.865 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.805 13.149 -19.962 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.453 10.223 -19.756 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.256 11.428 -20.742 1.00 0.00 H new ATOM 737 N GLY A 54 -8.250 13.732 -18.046 1.00 0.00 N ATOM 738 CA GLY A 54 -9.151 14.199 -17.007 1.00 0.00 C ATOM 739 C GLY A 54 -10.598 13.736 -17.199 1.00 0.00 C ATOM 740 O GLY A 54 -10.828 12.615 -17.652 1.00 0.00 O ATOM 0 H GLY A 54 -7.983 14.475 -18.692 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.791 13.848 -16.040 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.127 15.288 -16.979 1.00 0.00 H new ATOM 744 N PRO A 55 -11.588 14.584 -16.868 1.00 0.00 N ATOM 745 CA PRO A 55 -11.426 15.942 -16.369 1.00 0.00 C ATOM 746 C PRO A 55 -10.767 15.988 -14.986 1.00 0.00 C ATOM 747 O PRO A 55 -11.066 15.173 -14.116 1.00 0.00 O ATOM 748 CB PRO A 55 -12.833 16.537 -16.339 1.00 0.00 C ATOM 749 CG PRO A 55 -13.747 15.325 -16.207 1.00 0.00 C ATOM 750 CD PRO A 55 -12.998 14.249 -16.987 1.00 0.00 C ATOM 0 HA PRO A 55 -10.757 16.513 -17.013 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.958 17.223 -15.501 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -13.047 17.100 -17.247 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -13.894 15.041 -15.165 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -14.734 15.516 -16.627 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -13.200 13.258 -16.580 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -13.310 14.234 -18.031 1.00 0.00 H new ATOM 758 N TYR A 56 -9.861 16.954 -14.810 1.00 0.00 N ATOM 759 CA TYR A 56 -9.109 17.221 -13.591 1.00 0.00 C ATOM 760 C TYR A 56 -9.675 18.479 -12.948 1.00 0.00 C ATOM 761 O TYR A 56 -10.396 19.234 -13.599 1.00 0.00 O ATOM 762 CB TYR A 56 -7.628 17.501 -13.934 1.00 0.00 C ATOM 763 CG TYR A 56 -7.051 16.894 -15.201 1.00 0.00 C ATOM 764 CD1 TYR A 56 -7.271 17.529 -16.439 1.00 0.00 C ATOM 765 CD2 TYR A 56 -6.287 15.715 -15.151 1.00 0.00 C ATOM 766 CE1 TYR A 56 -6.730 16.993 -17.619 1.00 0.00 C ATOM 767 CE2 TYR A 56 -5.747 15.178 -16.333 1.00 0.00 C ATOM 768 CZ TYR A 56 -5.956 15.821 -17.565 1.00 0.00 C ATOM 769 OH TYR A 56 -5.418 15.301 -18.706 1.00 0.00 O ATOM 0 H TYR A 56 -9.623 17.604 -15.559 1.00 0.00 H new ATOM 0 HA TYR A 56 -9.182 16.360 -12.927 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -7.501 18.582 -13.996 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -7.023 17.156 -13.096 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -7.859 18.434 -16.481 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -6.115 15.222 -14.206 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.908 17.480 -18.566 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -5.169 14.267 -16.294 1.00 0.00 H new ATOM 0 HH TYR A 56 -4.471 15.097 -18.558 1.00 0.00 H new ATOM 779 N GLN A 57 -9.350 18.696 -11.669 1.00 0.00 N ATOM 780 CA GLN A 57 -9.785 19.876 -10.939 1.00 0.00 C ATOM 781 C GLN A 57 -8.627 20.361 -10.069 1.00 0.00 C ATOM 782 O GLN A 57 -7.729 19.585 -9.715 1.00 0.00 O ATOM 783 CB GLN A 57 -11.104 19.677 -10.167 1.00 0.00 C ATOM 784 CG GLN A 57 -12.114 18.795 -10.911 1.00 0.00 C ATOM 785 CD GLN A 57 -13.442 18.708 -10.169 1.00 0.00 C ATOM 786 OE1 GLN A 57 -13.663 17.776 -9.397 1.00 0.00 O ATOM 787 NE2 GLN A 57 -14.329 19.679 -10.405 1.00 0.00 N ATOM 0 H GLN A 57 -8.779 18.056 -11.118 1.00 0.00 H new ATOM 0 HA GLN A 57 -10.038 20.659 -11.654 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -10.886 19.229 -9.198 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -11.555 20.651 -9.974 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -12.281 19.197 -11.910 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -11.701 17.794 -11.035 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -14.100 20.432 -11.054 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -15.235 19.667 -9.936 1.00 0.00 H new ATOM 796 N GLU A 58 -8.666 21.658 -9.731 1.00 0.00 N ATOM 797 CA GLU A 58 -7.628 22.299 -8.940 1.00 0.00 C ATOM 798 C GLU A 58 -7.755 22.024 -7.444 1.00 0.00 C ATOM 799 O GLU A 58 -8.824 21.685 -6.940 1.00 0.00 O ATOM 800 CB GLU A 58 -7.654 23.824 -9.146 1.00 0.00 C ATOM 801 CG GLU A 58 -7.739 24.247 -10.616 1.00 0.00 C ATOM 802 CD GLU A 58 -7.297 25.696 -10.801 1.00 0.00 C ATOM 803 OE1 GLU A 58 -7.869 26.560 -10.104 1.00 0.00 O ATOM 804 OE2 GLU A 58 -6.393 25.917 -11.637 1.00 0.00 O ATOM 0 H GLU A 58 -9.423 22.285 -10.003 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.688 21.872 -9.289 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.506 24.240 -8.608 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.756 24.256 -8.704 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.112 23.593 -11.222 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.762 24.128 -10.973 1.00 0.00 H new ATOM 811 N PHE A 59 -6.618 22.169 -6.756 1.00 0.00 N ATOM 812 CA PHE A 59 -6.457 22.010 -5.325 1.00 0.00 C ATOM 813 C PHE A 59 -5.162 22.747 -4.968 1.00 0.00 C ATOM 814 O PHE A 59 -4.091 22.150 -4.960 1.00 0.00 O ATOM 815 CB PHE A 59 -6.445 20.534 -4.932 1.00 0.00 C ATOM 816 CG PHE A 59 -6.861 20.400 -3.489 1.00 0.00 C ATOM 817 CD1 PHE A 59 -5.942 20.659 -2.455 1.00 0.00 C ATOM 818 CD2 PHE A 59 -8.181 20.032 -3.181 1.00 0.00 C ATOM 819 CE1 PHE A 59 -6.344 20.547 -1.115 1.00 0.00 C ATOM 820 CE2 PHE A 59 -8.574 19.910 -1.843 1.00 0.00 C ATOM 821 CZ PHE A 59 -7.663 20.175 -0.810 1.00 0.00 C ATOM 0 H PHE A 59 -5.742 22.414 -7.218 1.00 0.00 H new ATOM 0 HA PHE A 59 -7.292 22.432 -4.765 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.123 19.970 -5.572 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.449 20.115 -5.076 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.928 20.944 -2.693 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -8.890 19.844 -3.974 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.640 20.747 -0.320 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -9.584 19.610 -1.605 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.976 20.093 0.220 1.00 0.00 H new ATOM 831 N PRO A 60 -5.223 24.045 -4.655 1.00 0.00 N ATOM 832 CA PRO A 60 -4.048 24.829 -4.376 1.00 0.00 C ATOM 833 C PRO A 60 -3.227 24.428 -3.145 1.00 0.00 C ATOM 834 O PRO A 60 -3.814 24.136 -2.101 1.00 0.00 O ATOM 835 CB PRO A 60 -4.435 26.291 -4.343 1.00 0.00 C ATOM 836 CG PRO A 60 -5.907 26.301 -4.684 1.00 0.00 C ATOM 837 CD PRO A 60 -6.400 24.858 -4.558 1.00 0.00 C ATOM 0 HA PRO A 60 -3.355 24.622 -5.191 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -4.252 26.728 -3.361 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.857 26.871 -5.063 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -6.456 26.957 -4.009 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.067 26.677 -5.694 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.911 24.699 -3.608 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -7.112 24.615 -5.347 1.00 0.00 H new ATOM 845 N ILE A 61 -1.886 24.416 -3.257 1.00 0.00 N ATOM 846 CA ILE A 61 -0.975 24.092 -2.170 1.00 0.00 C ATOM 847 C ILE A 61 -0.242 25.312 -1.667 1.00 0.00 C ATOM 848 O ILE A 61 -0.366 26.439 -2.142 1.00 0.00 O ATOM 849 CB ILE A 61 -0.003 22.972 -2.550 1.00 0.00 C ATOM 850 CG1 ILE A 61 0.822 22.197 -1.497 1.00 0.00 C ATOM 851 CG2 ILE A 61 0.821 23.293 -3.791 1.00 0.00 C ATOM 852 CD1 ILE A 61 1.016 20.730 -1.889 1.00 0.00 C ATOM 0 H ILE A 61 -1.406 24.638 -4.129 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.588 23.721 -1.349 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.760 22.213 -2.748 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.796 22.672 -1.377 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.320 22.251 -0.531 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.490 22.461 -4.009 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.155 23.454 -4.639 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.408 24.194 -3.615 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.601 20.223 -1.122 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.043 20.247 -1.983 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.542 20.675 -2.842 1.00 0.00 H new ATOM 864 N LYS A 62 0.511 24.958 -0.647 1.00 0.00 N ATOM 865 CA LYS A 62 1.412 25.784 0.153 1.00 0.00 C ATOM 866 C LYS A 62 2.409 24.924 0.934 1.00 0.00 C ATOM 867 O LYS A 62 2.378 23.696 0.861 1.00 0.00 O ATOM 868 CB LYS A 62 0.613 26.747 1.041 1.00 0.00 C ATOM 869 CG LYS A 62 -0.337 26.005 1.991 1.00 0.00 C ATOM 870 CD LYS A 62 -1.767 26.553 1.872 1.00 0.00 C ATOM 871 CE LYS A 62 -2.793 25.461 2.165 1.00 0.00 C ATOM 872 NZ LYS A 62 -2.861 24.487 1.059 1.00 0.00 N ATOM 0 H LYS A 62 0.513 23.992 -0.320 1.00 0.00 H new ATOM 0 HA LYS A 62 2.012 26.401 -0.515 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.302 27.358 1.623 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.038 27.426 0.412 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.331 24.940 1.760 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.013 26.110 3.018 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.903 27.381 2.567 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.927 26.949 0.869 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.529 24.948 3.090 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.774 25.911 2.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.710 24.670 0.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.015 24.580 0.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.906 23.523 1.447 1.00 0.00 H new ATOM 886 N SER A 63 3.291 25.577 1.702 1.00 0.00 N ATOM 887 CA SER A 63 4.290 24.924 2.539 1.00 0.00 C ATOM 888 C SER A 63 3.653 24.623 3.905 1.00 0.00 C ATOM 889 O SER A 63 4.200 24.986 4.946 1.00 0.00 O ATOM 890 CB SER A 63 5.533 25.821 2.650 1.00 0.00 C ATOM 891 OG SER A 63 5.215 27.077 3.214 1.00 0.00 O ATOM 0 H SER A 63 3.326 26.595 1.756 1.00 0.00 H new ATOM 0 HA SER A 63 4.618 23.981 2.102 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.287 25.326 3.262 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.969 25.965 1.661 1.00 0.00 H new ATOM 0 HG SER A 63 4.872 26.950 4.123 1.00 0.00 H new ATOM 897 N GLY A 64 2.494 23.947 3.890 1.00 0.00 N ATOM 898 CA GLY A 64 1.720 23.584 5.067 1.00 0.00 C ATOM 899 C GLY A 64 1.067 22.220 4.866 1.00 0.00 C ATOM 900 O GLY A 64 1.410 21.267 5.566 1.00 0.00 O ATOM 0 H GLY A 64 2.062 23.631 3.022 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.367 23.560 5.944 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.955 24.338 5.255 1.00 0.00 H new ATOM 904 N GLY A 65 0.132 22.119 3.911 1.00 0.00 N ATOM 905 CA GLY A 65 -0.553 20.871 3.611 1.00 0.00 C ATOM 906 C GLY A 65 -1.813 21.122 2.785 1.00 0.00 C ATOM 907 O GLY A 65 -1.751 21.772 1.743 1.00 0.00 O ATOM 0 H GLY A 65 -0.165 22.903 3.330 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.117 20.206 3.066 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.818 20.365 4.540 1.00 0.00 H new ATOM 911 N VAL A 66 -2.949 20.593 3.262 1.00 0.00 N ATOM 912 CA VAL A 66 -4.259 20.729 2.637 1.00 0.00 C ATOM 913 C VAL A 66 -4.719 22.192 2.739 1.00 0.00 C ATOM 914 O VAL A 66 -4.149 22.956 3.517 1.00 0.00 O ATOM 915 CB VAL A 66 -5.222 19.705 3.272 1.00 0.00 C ATOM 916 CG1 VAL A 66 -5.719 20.153 4.654 1.00 0.00 C ATOM 917 CG2 VAL A 66 -6.414 19.372 2.366 1.00 0.00 C ATOM 0 H VAL A 66 -2.975 20.043 4.120 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.230 20.500 1.572 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.635 18.795 3.398 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.394 19.399 5.060 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.868 20.277 5.324 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.248 21.101 4.560 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.058 18.647 2.864 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.981 20.280 2.162 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.052 18.952 1.428 1.00 0.00 H new ATOM 927 N TYR A 67 -5.741 22.589 1.967 1.00 0.00 N ATOM 928 CA TYR A 67 -6.253 23.957 1.937 1.00 0.00 C ATOM 929 C TYR A 67 -6.583 24.548 3.313 1.00 0.00 C ATOM 930 O TYR A 67 -7.113 23.863 4.186 1.00 0.00 O ATOM 931 CB TYR A 67 -7.444 24.085 0.980 1.00 0.00 C ATOM 932 CG TYR A 67 -7.754 25.539 0.672 1.00 0.00 C ATOM 933 CD1 TYR A 67 -7.108 26.182 -0.402 1.00 0.00 C ATOM 934 CD2 TYR A 67 -8.674 26.255 1.462 1.00 0.00 C ATOM 935 CE1 TYR A 67 -7.379 27.533 -0.683 1.00 0.00 C ATOM 936 CE2 TYR A 67 -8.943 27.607 1.183 1.00 0.00 C ATOM 937 CZ TYR A 67 -8.289 28.249 0.117 1.00 0.00 C ATOM 938 OH TYR A 67 -8.548 29.564 -0.147 1.00 0.00 O ATOM 0 H TYR A 67 -6.238 21.957 1.340 1.00 0.00 H new ATOM 0 HA TYR A 67 -5.427 24.559 1.559 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -7.227 23.554 0.053 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -8.320 23.610 1.422 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -6.403 25.636 -1.011 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -9.174 25.765 2.284 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -6.889 28.021 -1.513 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -9.652 28.152 1.788 1.00 0.00 H new ATOM 0 HH TYR A 67 -9.200 29.905 0.500 1.00 0.00 H new ATOM 948 N THR A 68 -6.253 25.837 3.475 1.00 0.00 N ATOM 949 CA THR A 68 -6.471 26.646 4.668 1.00 0.00 C ATOM 950 C THR A 68 -6.878 28.056 4.229 1.00 0.00 C ATOM 951 O THR A 68 -7.932 28.545 4.631 1.00 0.00 O ATOM 952 CB THR A 68 -5.221 26.679 5.565 1.00 0.00 C ATOM 953 OG1 THR A 68 -4.084 27.113 4.845 1.00 0.00 O ATOM 954 CG2 THR A 68 -4.928 25.314 6.192 1.00 0.00 C ATOM 0 H THR A 68 -5.801 26.367 2.730 1.00 0.00 H new ATOM 0 HA THR A 68 -7.268 26.203 5.266 1.00 0.00 H new ATOM 0 HB THR A 68 -5.436 27.389 6.364 1.00 0.00 H new ATOM 0 HG1 THR A 68 -3.305 27.126 5.440 1.00 0.00 H new ATOM 0 HG21 THR A 68 -4.038 25.384 6.817 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.776 25.004 6.803 1.00 0.00 H new ATOM 0 HG23 THR A 68 -4.761 24.580 5.404 1.00 0.00 H new ATOM 962 N GLY A 69 -6.039 28.695 3.401 1.00 0.00 N ATOM 963 CA GLY A 69 -6.249 30.034 2.868 1.00 0.00 C ATOM 964 C GLY A 69 -5.280 31.038 3.494 1.00 0.00 C ATOM 965 O GLY A 69 -4.574 30.723 4.451 1.00 0.00 O ATOM 0 H GLY A 69 -5.168 28.273 3.078 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.116 30.022 1.786 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -7.275 30.347 3.060 1.00 0.00 H new ATOM 969 N GLY A 70 -5.254 32.255 2.934 1.00 0.00 N ATOM 970 CA GLY A 70 -4.412 33.354 3.387 1.00 0.00 C ATOM 971 C GLY A 70 -3.058 33.364 2.680 1.00 0.00 C ATOM 972 O GLY A 70 -2.563 32.316 2.266 1.00 0.00 O ATOM 0 H GLY A 70 -5.836 32.502 2.133 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -4.922 34.300 3.207 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.259 33.274 4.463 1.00 0.00 H new ATOM 976 N SER A 71 -2.481 34.570 2.545 1.00 0.00 N ATOM 977 CA SER A 71 -1.191 34.863 1.927 1.00 0.00 C ATOM 978 C SER A 71 -1.161 34.521 0.427 1.00 0.00 C ATOM 979 O SER A 71 -2.102 33.911 -0.081 1.00 0.00 O ATOM 980 CB SER A 71 -0.050 34.212 2.732 1.00 0.00 C ATOM 981 OG SER A 71 0.164 32.865 2.362 1.00 0.00 O ATOM 0 H SER A 71 -2.938 35.415 2.889 1.00 0.00 H new ATOM 0 HA SER A 71 -1.034 35.941 1.964 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.869 34.779 2.580 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.284 34.262 3.796 1.00 0.00 H new ATOM 0 HG SER A 71 -0.699 32.413 2.258 1.00 0.00 H new ATOM 987 N PRO A 72 -0.094 34.888 -0.309 1.00 0.00 N ATOM 988 CA PRO A 72 0.099 34.469 -1.692 1.00 0.00 C ATOM 989 C PRO A 72 0.210 32.944 -1.796 1.00 0.00 C ATOM 990 O PRO A 72 0.506 32.270 -0.808 1.00 0.00 O ATOM 991 CB PRO A 72 1.381 35.165 -2.169 1.00 0.00 C ATOM 992 CG PRO A 72 1.548 36.329 -1.192 1.00 0.00 C ATOM 993 CD PRO A 72 1.004 35.741 0.106 1.00 0.00 C ATOM 0 HA PRO A 72 -0.750 34.747 -2.316 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.237 34.491 -2.139 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.287 35.515 -3.197 1.00 0.00 H new ATOM 0 HG2 PRO A 72 2.590 36.633 -1.096 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.987 37.209 -1.507 1.00 0.00 H new ATOM 0 HD2 PRO A 72 1.769 35.173 0.635 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.663 36.524 0.783 1.00 0.00 H new ATOM 1001 N GLY A 73 -0.025 32.401 -2.996 1.00 0.00 N ATOM 1002 CA GLY A 73 0.030 30.969 -3.239 1.00 0.00 C ATOM 1003 C GLY A 73 0.110 30.682 -4.735 1.00 0.00 C ATOM 1004 O GLY A 73 -0.855 30.200 -5.326 1.00 0.00 O ATOM 0 H GLY A 73 -0.259 32.950 -3.823 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.897 30.542 -2.734 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.853 30.489 -2.818 1.00 0.00 H new ATOM 1008 N ALA A 74 1.269 30.970 -5.340 1.00 0.00 N ATOM 1009 CA ALA A 74 1.526 30.740 -6.758 1.00 0.00 C ATOM 1010 C ALA A 74 1.615 29.257 -7.104 1.00 0.00 C ATOM 1011 O ALA A 74 1.532 28.933 -8.281 1.00 0.00 O ATOM 1012 CB ALA A 74 2.843 31.393 -7.165 1.00 0.00 C ATOM 0 H ALA A 74 2.064 31.376 -4.846 1.00 0.00 H new ATOM 0 HA ALA A 74 0.685 31.176 -7.297 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.025 31.215 -8.225 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.789 32.466 -6.981 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.657 30.965 -6.580 1.00 0.00 H new ATOM 1018 N ASP A 75 1.794 28.384 -6.103 1.00 0.00 N ATOM 1019 CA ASP A 75 1.930 26.939 -6.232 1.00 0.00 C ATOM 1020 C ASP A 75 0.592 26.209 -6.046 1.00 0.00 C ATOM 1021 O ASP A 75 -0.085 26.364 -5.028 1.00 0.00 O ATOM 1022 CB ASP A 75 3.005 26.457 -5.251 1.00 0.00 C ATOM 1023 CG ASP A 75 2.886 27.136 -3.888 1.00 0.00 C ATOM 1024 OD1 ASP A 75 3.469 28.233 -3.741 1.00 0.00 O ATOM 1025 OD2 ASP A 75 2.222 26.545 -3.015 1.00 0.00 O ATOM 0 H ASP A 75 1.850 28.691 -5.132 1.00 0.00 H new ATOM 0 HA ASP A 75 2.245 26.698 -7.247 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.923 25.377 -5.126 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.992 26.655 -5.669 1.00 0.00 H new ATOM 1030 N ARG A 76 0.224 25.391 -7.044 1.00 0.00 N ATOM 1031 CA ARG A 76 -1.019 24.633 -7.056 1.00 0.00 C ATOM 1032 C ARG A 76 -0.833 23.185 -7.497 1.00 0.00 C ATOM 1033 O ARG A 76 -0.091 22.930 -8.446 1.00 0.00 O ATOM 1034 CB ARG A 76 -1.999 25.247 -8.065 1.00 0.00 C ATOM 1035 CG ARG A 76 -2.322 26.721 -7.824 1.00 0.00 C ATOM 1036 CD ARG A 76 -3.505 27.149 -8.710 1.00 0.00 C ATOM 1037 NE ARG A 76 -4.466 27.990 -7.988 1.00 0.00 N ATOM 1038 CZ ARG A 76 -4.221 29.218 -7.501 1.00 0.00 C ATOM 1039 NH1 ARG A 76 -3.013 29.785 -7.624 1.00 0.00 N ATOM 1040 NH2 ARG A 76 -5.206 29.885 -6.886 1.00 0.00 N ATOM 0 H ARG A 76 0.797 25.241 -7.875 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.387 24.664 -6.031 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.583 25.139 -9.067 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.928 24.677 -8.042 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.566 26.882 -6.774 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.449 27.335 -8.046 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.129 27.693 -9.576 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.014 26.262 -9.087 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.401 27.610 -7.843 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.260 29.283 -8.094 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.847 30.718 -7.247 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.128 29.460 -6.792 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.034 30.818 -6.512 1.00 0.00 H new ATOM 1054 N VAL A 77 -1.501 22.249 -6.799 1.00 0.00 N ATOM 1055 CA VAL A 77 -1.487 20.836 -7.155 1.00 0.00 C ATOM 1056 C VAL A 77 -2.840 20.614 -7.823 1.00 0.00 C ATOM 1057 O VAL A 77 -3.842 21.224 -7.455 1.00 0.00 O ATOM 1058 CB VAL A 77 -1.176 19.847 -6.023 1.00 0.00 C ATOM 1059 CG1 VAL A 77 0.310 19.924 -5.665 1.00 0.00 C ATOM 1060 CG2 VAL A 77 -2.043 20.007 -4.774 1.00 0.00 C ATOM 0 H VAL A 77 -2.063 22.460 -5.974 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.646 20.618 -7.814 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.425 18.859 -6.410 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.527 19.221 -4.861 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.909 19.671 -6.540 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.554 20.935 -5.338 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.750 19.266 -4.030 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.907 21.007 -4.362 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.091 19.862 -5.037 1.00 0.00 H new ATOM 1070 N VAL A 78 -2.864 19.740 -8.822 1.00 0.00 N ATOM 1071 CA VAL A 78 -4.045 19.454 -9.616 1.00 0.00 C ATOM 1072 C VAL A 78 -4.116 17.926 -9.738 1.00 0.00 C ATOM 1073 O VAL A 78 -3.093 17.295 -10.009 1.00 0.00 O ATOM 1074 CB VAL A 78 -3.834 20.280 -10.908 1.00 0.00 C ATOM 1075 CG1 VAL A 78 -4.903 20.071 -11.981 1.00 0.00 C ATOM 1076 CG2 VAL A 78 -3.721 21.795 -10.571 1.00 0.00 C ATOM 0 H VAL A 78 -2.045 19.202 -9.106 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.019 19.740 -9.220 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.902 19.910 -11.335 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.673 20.689 -12.849 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.921 19.022 -12.277 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.878 20.352 -11.583 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.573 22.362 -11.490 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.637 22.128 -10.082 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.874 21.957 -9.904 1.00 0.00 H new ATOM 1086 N ILE A 79 -5.306 17.328 -9.526 1.00 0.00 N ATOM 1087 CA ILE A 79 -5.481 15.867 -9.566 1.00 0.00 C ATOM 1088 C ILE A 79 -6.597 15.408 -10.514 1.00 0.00 C ATOM 1089 O ILE A 79 -7.426 16.211 -10.938 1.00 0.00 O ATOM 1090 CB ILE A 79 -5.676 15.310 -8.143 1.00 0.00 C ATOM 1091 CG1 ILE A 79 -6.999 15.758 -7.507 1.00 0.00 C ATOM 1092 CG2 ILE A 79 -4.514 15.693 -7.215 1.00 0.00 C ATOM 1093 CD1 ILE A 79 -7.589 14.640 -6.644 1.00 0.00 C ATOM 0 H ILE A 79 -6.164 17.841 -9.324 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.563 15.452 -9.982 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.702 14.226 -8.257 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.833 16.646 -6.897 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.708 16.035 -8.287 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.691 15.281 -6.222 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.582 15.292 -7.614 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.443 16.779 -7.150 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.526 14.978 -6.202 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.775 13.762 -7.263 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.886 14.383 -5.851 1.00 0.00 H new ATOM 1105 N ASN A 80 -6.613 14.099 -10.820 1.00 0.00 N ATOM 1106 CA ASN A 80 -7.551 13.436 -11.724 1.00 0.00 C ATOM 1107 C ASN A 80 -8.791 13.002 -10.953 1.00 0.00 C ATOM 1108 O ASN A 80 -8.724 12.822 -9.735 1.00 0.00 O ATOM 1109 CB ASN A 80 -6.875 12.224 -12.374 1.00 0.00 C ATOM 1110 CG ASN A 80 -7.578 11.780 -13.652 1.00 0.00 C ATOM 1111 OD1 ASN A 80 -8.499 10.967 -13.616 1.00 0.00 O ATOM 1112 ND2 ASN A 80 -7.128 12.315 -14.787 1.00 0.00 N ATOM 0 H ASN A 80 -5.936 13.448 -10.421 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.852 14.132 -12.507 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -5.837 12.469 -12.600 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -6.860 11.396 -11.665 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -7.551 12.053 -15.677 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.360 12.986 -14.765 1.00 0.00 H new ATOM 1119 N THR A 81 -9.912 12.820 -11.664 1.00 0.00 N ATOM 1120 CA THR A 81 -11.193 12.457 -11.072 1.00 0.00 C ATOM 1121 C THR A 81 -11.410 10.993 -10.710 1.00 0.00 C ATOM 1122 O THR A 81 -12.363 10.341 -11.133 1.00 0.00 O ATOM 1123 CB THR A 81 -12.359 13.162 -11.773 1.00 0.00 C ATOM 1124 OG1 THR A 81 -13.539 13.040 -11.004 1.00 0.00 O ATOM 1125 CG2 THR A 81 -12.590 12.630 -13.181 1.00 0.00 C ATOM 0 H THR A 81 -9.948 12.924 -12.678 1.00 0.00 H new ATOM 0 HA THR A 81 -11.154 12.863 -10.061 1.00 0.00 H new ATOM 0 HB THR A 81 -12.094 14.215 -11.863 1.00 0.00 H new ATOM 0 HG1 THR A 81 -14.276 13.496 -11.462 1.00 0.00 H new ATOM 0 HG21 THR A 81 -13.426 13.160 -13.638 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.692 12.784 -13.780 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.817 11.565 -13.135 1.00 0.00 H new ATOM 1133 N ASN A 82 -10.487 10.503 -9.890 1.00 0.00 N ATOM 1134 CA ASN A 82 -10.470 9.178 -9.337 1.00 0.00 C ATOM 1135 C ASN A 82 -9.596 9.393 -8.109 1.00 0.00 C ATOM 1136 O ASN A 82 -10.104 9.661 -7.021 1.00 0.00 O ATOM 1137 CB ASN A 82 -9.953 8.170 -10.376 1.00 0.00 C ATOM 1138 CG ASN A 82 -9.712 6.788 -9.774 1.00 0.00 C ATOM 1139 OD1 ASN A 82 -10.499 6.312 -8.959 1.00 0.00 O ATOM 1140 ND2 ASN A 82 -8.617 6.139 -10.179 1.00 0.00 N ATOM 0 H ASN A 82 -9.691 11.062 -9.584 1.00 0.00 H new ATOM 0 HA ASN A 82 -11.431 8.741 -9.065 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -10.674 8.089 -11.190 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -9.024 8.542 -10.809 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -8.408 5.211 -9.810 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -7.990 6.571 -10.858 1.00 0.00 H new ATOM 1147 N CYS A 83 -8.285 9.275 -8.310 1.00 0.00 N ATOM 1148 CA CYS A 83 -7.268 9.469 -7.282 1.00 0.00 C ATOM 1149 C CYS A 83 -5.854 9.696 -7.829 1.00 0.00 C ATOM 1150 O CYS A 83 -4.924 9.848 -7.036 1.00 0.00 O ATOM 1151 CB CYS A 83 -7.282 8.277 -6.314 1.00 0.00 C ATOM 1152 SG CYS A 83 -7.013 8.667 -4.566 1.00 0.00 S ATOM 0 H CYS A 83 -7.891 9.035 -9.220 1.00 0.00 H new ATOM 0 HA CYS A 83 -7.530 10.390 -6.761 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -8.242 7.770 -6.408 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -6.515 7.570 -6.630 1.00 0.00 H new ATOM 1157 N GLU A 84 -5.675 9.736 -9.156 1.00 0.00 N ATOM 1158 CA GLU A 84 -4.366 9.872 -9.773 1.00 0.00 C ATOM 1159 C GLU A 84 -3.900 11.319 -9.867 1.00 0.00 C ATOM 1160 O GLU A 84 -4.605 12.174 -10.390 1.00 0.00 O ATOM 1161 CB GLU A 84 -4.405 9.196 -11.149 1.00 0.00 C ATOM 1162 CG GLU A 84 -2.998 9.028 -11.737 1.00 0.00 C ATOM 1163 CD GLU A 84 -3.006 8.311 -13.087 1.00 0.00 C ATOM 1164 OE1 GLU A 84 -4.005 7.614 -13.375 1.00 0.00 O ATOM 1165 OE2 GLU A 84 -2.001 8.469 -13.812 1.00 0.00 O ATOM 0 H GLU A 84 -6.441 9.674 -9.826 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.630 9.378 -9.138 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.882 8.220 -11.062 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.016 9.790 -11.829 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.538 10.009 -11.854 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.380 8.467 -11.036 1.00 0.00 H new ATOM 1172 N TYR A 85 -2.695 11.580 -9.359 1.00 0.00 N ATOM 1173 CA TYR A 85 -2.064 12.888 -9.378 1.00 0.00 C ATOM 1174 C TYR A 85 -1.806 13.283 -10.835 1.00 0.00 C ATOM 1175 O TYR A 85 -1.216 12.508 -11.589 1.00 0.00 O ATOM 1176 CB TYR A 85 -0.777 12.778 -8.549 1.00 0.00 C ATOM 1177 CG TYR A 85 0.261 13.858 -8.769 1.00 0.00 C ATOM 1178 CD1 TYR A 85 1.174 13.730 -9.834 1.00 0.00 C ATOM 1179 CD2 TYR A 85 0.331 14.976 -7.917 1.00 0.00 C ATOM 1180 CE1 TYR A 85 2.152 14.710 -10.047 1.00 0.00 C ATOM 1181 CE2 TYR A 85 1.312 15.959 -8.133 1.00 0.00 C ATOM 1182 CZ TYR A 85 2.222 15.823 -9.195 1.00 0.00 C ATOM 1183 OH TYR A 85 3.182 16.765 -9.399 1.00 0.00 O ATOM 0 H TYR A 85 -2.121 10.865 -8.913 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.689 13.668 -8.943 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.050 12.776 -7.494 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.316 11.813 -8.761 1.00 0.00 H new ATOM 0 HD1 TYR A 85 1.120 12.873 -10.489 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -0.367 15.078 -7.099 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.850 14.609 -10.865 1.00 0.00 H new ATOM 0 HE2 TYR A 85 1.366 16.819 -7.482 1.00 0.00 H new ATOM 0 HH TYR A 85 3.991 16.337 -9.750 1.00 0.00 H new ATOM 1193 N ALA A 86 -2.258 14.481 -11.227 1.00 0.00 N ATOM 1194 CA ALA A 86 -2.110 14.993 -12.581 1.00 0.00 C ATOM 1195 C ALA A 86 -0.831 15.817 -12.690 1.00 0.00 C ATOM 1196 O ALA A 86 -0.085 15.654 -13.653 1.00 0.00 O ATOM 1197 CB ALA A 86 -3.342 15.809 -12.981 1.00 0.00 C ATOM 0 H ALA A 86 -2.741 15.124 -10.600 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.031 14.156 -13.275 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.216 16.185 -13.996 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.228 15.176 -12.936 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.461 16.648 -12.296 1.00 0.00 H new ATOM 1203 N GLY A 87 -0.567 16.694 -11.710 1.00 0.00 N ATOM 1204 CA GLY A 87 0.637 17.506 -11.732 1.00 0.00 C ATOM 1205 C GLY A 87 0.714 18.539 -10.608 1.00 0.00 C ATOM 1206 O GLY A 87 -0.219 18.695 -9.821 1.00 0.00 O ATOM 0 H GLY A 87 -1.171 16.851 -10.903 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.506 16.851 -11.669 1.00 0.00 H new ATOM 0 HA3 GLY A 87 0.697 18.022 -12.690 1.00 0.00 H new ATOM 1210 N ALA A 88 1.863 19.229 -10.556 1.00 0.00 N ATOM 1211 CA ALA A 88 2.210 20.288 -9.620 1.00 0.00 C ATOM 1212 C ALA A 88 2.832 21.401 -10.451 1.00 0.00 C ATOM 1213 O ALA A 88 3.833 21.181 -11.134 1.00 0.00 O ATOM 1214 CB ALA A 88 3.195 19.798 -8.561 1.00 0.00 C ATOM 0 H ALA A 88 2.619 19.043 -11.214 1.00 0.00 H new ATOM 0 HA ALA A 88 1.326 20.632 -9.083 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.432 20.615 -7.879 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.749 18.976 -8.001 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.108 19.453 -9.046 1.00 0.00 H new ATOM 1220 N ILE A 89 2.236 22.593 -10.380 1.00 0.00 N ATOM 1221 CA ILE A 89 2.656 23.769 -11.125 1.00 0.00 C ATOM 1222 C ILE A 89 2.838 24.958 -10.179 1.00 0.00 C ATOM 1223 O ILE A 89 2.323 24.931 -9.063 1.00 0.00 O ATOM 1224 CB ILE A 89 1.621 24.010 -12.243 1.00 0.00 C ATOM 1225 CG1 ILE A 89 0.201 24.202 -11.670 1.00 0.00 C ATOM 1226 CG2 ILE A 89 1.647 22.829 -13.225 1.00 0.00 C ATOM 1227 CD1 ILE A 89 -0.825 24.633 -12.720 1.00 0.00 C ATOM 0 H ILE A 89 1.426 22.766 -9.785 1.00 0.00 H new ATOM 0 HA ILE A 89 3.629 23.625 -11.595 1.00 0.00 H new ATOM 0 HB ILE A 89 1.887 24.928 -12.767 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.128 23.268 -11.213 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.235 24.950 -10.878 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.916 22.997 -14.016 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.642 22.741 -13.662 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.402 21.909 -12.694 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.801 24.749 -12.249 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.519 25.582 -13.160 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.887 23.875 -13.501 1.00 0.00 H new ATOM 1239 N THR A 90 3.577 25.996 -10.610 1.00 0.00 N ATOM 1240 CA THR A 90 3.838 27.175 -9.793 1.00 0.00 C ATOM 1241 C THR A 90 4.213 28.414 -10.608 1.00 0.00 C ATOM 1242 O THR A 90 4.619 28.283 -11.760 1.00 0.00 O ATOM 1243 CB THR A 90 4.994 26.865 -8.822 1.00 0.00 C ATOM 1244 OG1 THR A 90 5.164 27.922 -7.899 1.00 0.00 O ATOM 1245 CG2 THR A 90 6.320 26.645 -9.569 1.00 0.00 C ATOM 0 H THR A 90 4.006 26.033 -11.535 1.00 0.00 H new ATOM 0 HA THR A 90 2.911 27.402 -9.267 1.00 0.00 H new ATOM 0 HB THR A 90 4.729 25.948 -8.295 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.901 27.708 -7.289 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.111 26.429 -8.851 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.215 25.806 -10.257 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.575 27.544 -10.130 1.00 0.00 H new ATOM 1253 N HIS A 91 4.066 29.615 -10.016 1.00 0.00 N ATOM 1254 CA HIS A 91 4.486 30.846 -10.701 1.00 0.00 C ATOM 1255 C HIS A 91 6.008 31.003 -10.602 1.00 0.00 C ATOM 1256 O HIS A 91 6.598 31.685 -11.437 1.00 0.00 O ATOM 1257 CB HIS A 91 3.914 32.182 -10.200 1.00 0.00 C ATOM 1258 CG HIS A 91 2.430 32.364 -10.328 1.00 0.00 C ATOM 1259 ND1 HIS A 91 1.826 33.606 -10.214 1.00 0.00 N ATOM 1260 CD2 HIS A 91 1.410 31.482 -10.566 1.00 0.00 C ATOM 1261 CE1 HIS A 91 0.507 33.422 -10.384 1.00 0.00 C ATOM 1262 NE2 HIS A 91 0.187 32.145 -10.590 1.00 0.00 N ATOM 0 H HIS A 91 3.669 29.755 -9.087 1.00 0.00 H new ATOM 0 HA HIS A 91 4.093 30.689 -11.706 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.183 32.296 -9.150 1.00 0.00 H new ATOM 0 HB3 HIS A 91 4.405 32.989 -10.744 1.00 0.00 H new ATOM 0 HD2 HIS A 91 1.537 30.420 -10.714 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -0.217 34.223 -10.357 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -0.741 31.746 -10.732 1.00 0.00 H new ATOM 1270 N THR A 92 6.645 30.394 -9.590 1.00 0.00 N ATOM 1271 CA THR A 92 8.083 30.482 -9.367 1.00 0.00 C ATOM 1272 C THR A 92 8.856 29.898 -10.554 1.00 0.00 C ATOM 1273 O THR A 92 8.877 28.683 -10.739 1.00 0.00 O ATOM 1274 CB THR A 92 8.451 29.778 -8.050 1.00 0.00 C ATOM 1275 OG1 THR A 92 7.615 30.232 -7.004 1.00 0.00 O ATOM 1276 CG2 THR A 92 9.907 30.064 -7.671 1.00 0.00 C ATOM 0 H THR A 92 6.162 29.820 -8.898 1.00 0.00 H new ATOM 0 HA THR A 92 8.366 31.531 -9.284 1.00 0.00 H new ATOM 0 HB THR A 92 8.318 28.706 -8.195 1.00 0.00 H new ATOM 0 HG1 THR A 92 7.857 29.776 -6.171 1.00 0.00 H new ATOM 0 HG21 THR A 92 10.146 29.557 -6.736 1.00 0.00 H new ATOM 0 HG22 THR A 92 10.566 29.702 -8.460 1.00 0.00 H new ATOM 0 HG23 THR A 92 10.046 31.138 -7.547 1.00 0.00 H new ATOM 1284 N GLY A 93 9.494 30.774 -11.344 1.00 0.00 N ATOM 1285 CA GLY A 93 10.267 30.418 -12.527 1.00 0.00 C ATOM 1286 C GLY A 93 9.641 30.960 -13.816 1.00 0.00 C ATOM 1287 O GLY A 93 10.311 30.996 -14.846 1.00 0.00 O ATOM 0 H GLY A 93 9.481 31.778 -11.166 1.00 0.00 H new ATOM 0 HA2 GLY A 93 11.280 30.807 -12.427 1.00 0.00 H new ATOM 0 HA3 GLY A 93 10.347 29.333 -12.593 1.00 0.00 H new ATOM 1291 N ALA A 94 8.368 31.379 -13.767 1.00 0.00 N ATOM 1292 CA ALA A 94 7.632 31.906 -14.905 1.00 0.00 C ATOM 1293 C ALA A 94 8.053 33.340 -15.240 1.00 0.00 C ATOM 1294 O ALA A 94 8.674 34.019 -14.423 1.00 0.00 O ATOM 1295 CB ALA A 94 6.139 31.871 -14.582 1.00 0.00 C ATOM 0 H ALA A 94 7.816 31.356 -12.910 1.00 0.00 H new ATOM 0 HA ALA A 94 7.852 31.288 -15.775 1.00 0.00 H new ATOM 0 HB1 ALA A 94 5.574 32.264 -15.428 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.833 30.843 -14.387 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.943 32.481 -13.700 1.00 0.00 H new ATOM 1301 N SER A 95 7.693 33.787 -16.451 1.00 0.00 N ATOM 1302 CA SER A 95 7.976 35.120 -16.967 1.00 0.00 C ATOM 1303 C SER A 95 6.703 35.971 -16.918 1.00 0.00 C ATOM 1304 O SER A 95 6.304 36.563 -17.920 1.00 0.00 O ATOM 1305 CB SER A 95 8.538 34.978 -18.387 1.00 0.00 C ATOM 1306 OG SER A 95 8.942 36.233 -18.896 1.00 0.00 O ATOM 0 H SER A 95 7.180 33.206 -17.115 1.00 0.00 H new ATOM 0 HA SER A 95 8.721 35.631 -16.357 1.00 0.00 H new ATOM 0 HB2 SER A 95 9.386 34.293 -18.380 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.782 34.542 -19.040 1.00 0.00 H new ATOM 0 HG SER A 95 8.185 36.855 -18.871 1.00 0.00 H new ATOM 1312 N GLY A 96 6.065 36.019 -15.739 1.00 0.00 N ATOM 1313 CA GLY A 96 4.836 36.758 -15.489 1.00 0.00 C ATOM 1314 C GLY A 96 3.929 35.991 -14.527 1.00 0.00 C ATOM 1315 O GLY A 96 4.410 35.274 -13.650 1.00 0.00 O ATOM 0 H GLY A 96 6.407 35.527 -14.914 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.073 37.736 -15.071 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.313 36.932 -16.429 1.00 0.00 H new ATOM 1319 N ASN A 97 2.611 36.143 -14.708 1.00 0.00 N ATOM 1320 CA ASN A 97 1.585 35.485 -13.905 1.00 0.00 C ATOM 1321 C ASN A 97 1.373 34.034 -14.350 1.00 0.00 C ATOM 1322 O ASN A 97 0.749 33.264 -13.621 1.00 0.00 O ATOM 1323 CB ASN A 97 0.271 36.274 -13.997 1.00 0.00 C ATOM 1324 CG ASN A 97 -0.283 36.311 -15.423 1.00 0.00 C ATOM 1325 OD1 ASN A 97 0.059 37.203 -16.198 1.00 0.00 O ATOM 1326 ND2 ASN A 97 -1.138 35.346 -15.772 1.00 0.00 N ATOM 0 H ASN A 97 2.224 36.743 -15.436 1.00 0.00 H new ATOM 0 HA ASN A 97 1.920 35.464 -12.868 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.468 35.824 -13.334 1.00 0.00 H new ATOM 0 HB3 ASN A 97 0.436 37.293 -13.647 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -1.533 35.330 -16.712 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.395 34.625 -15.098 1.00 0.00 H new ATOM 1333 N ASN A 98 1.878 33.663 -15.538 1.00 0.00 N ATOM 1334 CA ASN A 98 1.770 32.316 -16.078 1.00 0.00 C ATOM 1335 C ASN A 98 2.440 31.299 -15.149 1.00 0.00 C ATOM 1336 O ASN A 98 3.173 31.666 -14.230 1.00 0.00 O ATOM 1337 CB ASN A 98 2.319 32.257 -17.513 1.00 0.00 C ATOM 1338 CG ASN A 98 3.834 32.417 -17.590 1.00 0.00 C ATOM 1339 OD1 ASN A 98 4.557 31.430 -17.724 1.00 0.00 O ATOM 1340 ND2 ASN A 98 4.319 33.659 -17.517 1.00 0.00 N ATOM 0 H ASN A 98 2.378 34.306 -16.152 1.00 0.00 H new ATOM 0 HA ASN A 98 0.716 32.045 -16.132 1.00 0.00 H new ATOM 0 HB2 ASN A 98 2.039 31.304 -17.962 1.00 0.00 H new ATOM 0 HB3 ASN A 98 1.848 33.040 -18.107 1.00 0.00 H new ATOM 0 HD21 ASN A 98 5.325 33.818 -17.572 1.00 0.00 H new ATOM 0 HD22 ASN A 98 3.683 34.449 -17.406 1.00 0.00 H new ATOM 1347 N PHE A 99 2.183 30.016 -15.409 1.00 0.00 N ATOM 1348 CA PHE A 99 2.691 28.903 -14.629 1.00 0.00 C ATOM 1349 C PHE A 99 3.798 28.130 -15.348 1.00 0.00 C ATOM 1350 O PHE A 99 3.943 28.203 -16.567 1.00 0.00 O ATOM 1351 CB PHE A 99 1.516 27.955 -14.350 1.00 0.00 C ATOM 1352 CG PHE A 99 0.697 28.357 -13.145 1.00 0.00 C ATOM 1353 CD1 PHE A 99 -0.239 29.405 -13.214 1.00 0.00 C ATOM 1354 CD2 PHE A 99 0.880 27.665 -11.938 1.00 0.00 C ATOM 1355 CE1 PHE A 99 -0.971 29.764 -12.068 1.00 0.00 C ATOM 1356 CE2 PHE A 99 0.153 28.018 -10.797 1.00 0.00 C ATOM 1357 CZ PHE A 99 -0.763 29.077 -10.858 1.00 0.00 C ATOM 0 H PHE A 99 1.599 29.722 -16.192 1.00 0.00 H new ATOM 0 HA PHE A 99 3.126 29.298 -13.711 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.869 27.922 -15.226 1.00 0.00 H new ATOM 0 HB3 PHE A 99 1.900 26.946 -14.200 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.395 29.932 -14.144 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.589 26.852 -11.890 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.692 30.566 -12.117 1.00 0.00 H new ATOM 0 HE2 PHE A 99 0.297 27.477 -9.873 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.311 29.367 -9.973 1.00 0.00 H new ATOM 1367 N VAL A 100 4.576 27.396 -14.542 1.00 0.00 N ATOM 1368 CA VAL A 100 5.668 26.518 -14.938 1.00 0.00 C ATOM 1369 C VAL A 100 5.492 25.224 -14.142 1.00 0.00 C ATOM 1370 O VAL A 100 4.744 25.189 -13.168 1.00 0.00 O ATOM 1371 CB VAL A 100 7.064 27.131 -14.760 1.00 0.00 C ATOM 1372 CG1 VAL A 100 7.321 28.196 -15.826 1.00 0.00 C ATOM 1373 CG2 VAL A 100 7.310 27.689 -13.358 1.00 0.00 C ATOM 0 H VAL A 100 4.445 27.405 -13.531 1.00 0.00 H new ATOM 0 HA VAL A 100 5.616 26.333 -16.011 1.00 0.00 H new ATOM 0 HB VAL A 100 7.777 26.317 -14.887 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.315 28.620 -15.685 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.257 27.743 -16.815 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.574 28.985 -15.739 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.316 28.106 -13.304 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.581 28.470 -13.144 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.209 26.889 -12.625 1.00 0.00 H new ATOM 1383 N GLY A 101 6.192 24.164 -14.549 1.00 0.00 N ATOM 1384 CA GLY A 101 6.096 22.859 -13.912 1.00 0.00 C ATOM 1385 C GLY A 101 7.144 22.637 -12.824 1.00 0.00 C ATOM 1386 O GLY A 101 8.304 23.005 -13.001 1.00 0.00 O ATOM 0 H GLY A 101 6.843 24.191 -15.334 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.103 22.747 -13.478 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.201 22.084 -14.671 1.00 0.00 H new ATOM 1390 N CYS A 102 6.726 22.038 -11.697 1.00 0.00 N ATOM 1391 CA CYS A 102 7.607 21.719 -10.578 1.00 0.00 C ATOM 1392 C CYS A 102 8.269 20.364 -10.859 1.00 0.00 C ATOM 1393 O CYS A 102 8.091 19.791 -11.934 1.00 0.00 O ATOM 1394 CB CYS A 102 6.837 21.720 -9.246 1.00 0.00 C ATOM 1395 SG CYS A 102 5.823 23.191 -8.921 1.00 0.00 S ATOM 0 H CYS A 102 5.756 21.762 -11.542 1.00 0.00 H new ATOM 0 HA CYS A 102 8.380 22.482 -10.481 1.00 0.00 H new ATOM 0 HB2 CYS A 102 6.190 20.843 -9.221 1.00 0.00 H new ATOM 0 HB3 CYS A 102 7.555 21.610 -8.433 1.00 0.00 H new ATOM 1400 N SER A 103 9.031 19.833 -9.896 1.00 0.00 N ATOM 1401 CA SER A 103 9.722 18.562 -10.063 1.00 0.00 C ATOM 1402 C SER A 103 8.747 17.392 -9.902 1.00 0.00 C ATOM 1403 O SER A 103 8.108 17.254 -8.860 1.00 0.00 O ATOM 1404 CB SER A 103 10.886 18.469 -9.075 1.00 0.00 C ATOM 1405 OG SER A 103 11.793 19.529 -9.284 1.00 0.00 O ATOM 0 H SER A 103 9.182 20.273 -8.988 1.00 0.00 H new ATOM 0 HA SER A 103 10.130 18.506 -11.072 1.00 0.00 H new ATOM 0 HB2 SER A 103 10.508 18.501 -8.053 1.00 0.00 H new ATOM 0 HB3 SER A 103 11.398 17.514 -9.195 1.00 0.00 H new ATOM 0 HG SER A 103 12.532 19.458 -8.644 1.00 0.00 H new ATOM 1411 N GLY A 104 8.633 16.555 -10.945 1.00 0.00 N ATOM 1412 CA GLY A 104 7.772 15.381 -10.967 1.00 0.00 C ATOM 1413 C GLY A 104 6.336 15.769 -11.305 1.00 0.00 C ATOM 1414 O GLY A 104 5.454 15.622 -10.463 1.00 0.00 O ATOM 0 H GLY A 104 9.153 16.686 -11.813 1.00 0.00 H new ATOM 0 HA2 GLY A 104 8.143 14.666 -11.702 1.00 0.00 H new ATOM 0 HA3 GLY A 104 7.801 14.885 -9.997 1.00 0.00 H new ATOM 1418 N THR A 105 6.114 16.249 -12.537 1.00 0.00 N ATOM 1419 CA THR A 105 4.814 16.690 -13.044 1.00 0.00 C ATOM 1420 C THR A 105 4.578 16.250 -14.496 1.00 0.00 C ATOM 1421 O THR A 105 3.861 16.898 -15.257 1.00 0.00 O ATOM 1422 CB THR A 105 4.703 18.204 -12.839 1.00 0.00 C ATOM 1423 OG1 THR A 105 3.388 18.653 -13.068 1.00 0.00 O ATOM 1424 CG2 THR A 105 5.658 18.914 -13.790 1.00 0.00 C ATOM 0 H THR A 105 6.860 16.342 -13.227 1.00 0.00 H new ATOM 0 HA THR A 105 4.015 16.207 -12.482 1.00 0.00 H new ATOM 0 HB THR A 105 4.966 18.432 -11.806 1.00 0.00 H new ATOM 0 HG1 THR A 105 3.040 18.242 -13.887 1.00 0.00 H new ATOM 0 HG21 THR A 105 5.581 19.992 -13.646 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.680 18.593 -13.587 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.398 18.666 -14.819 1.00 0.00 H new ATOM 1432 N ASN A 106 5.191 15.120 -14.843 1.00 0.00 N ATOM 1433 CA ASN A 106 5.175 14.460 -16.144 1.00 0.00 C ATOM 1434 C ASN A 106 6.017 15.250 -17.150 1.00 0.00 C ATOM 1435 O ASN A 106 5.625 15.272 -18.338 1.00 0.00 O ATOM 1436 CB ASN A 106 3.742 14.204 -16.645 1.00 0.00 C ATOM 1437 CG ASN A 106 2.850 13.553 -15.590 1.00 0.00 C ATOM 1438 OD1 ASN A 106 1.949 14.199 -15.060 1.00 0.00 O ATOM 1439 ND2 ASN A 106 3.095 12.275 -15.289 1.00 0.00 N ATOM 1440 OXT ASN A 106 7.141 15.636 -16.762 1.00 0.00 O ATOM 0 H ASN A 106 5.755 14.603 -14.168 1.00 0.00 H new ATOM 0 HA ASN A 106 5.629 13.475 -16.033 1.00 0.00 H new ATOM 0 HB2 ASN A 106 3.297 15.149 -16.956 1.00 0.00 H new ATOM 0 HB3 ASN A 106 3.780 13.564 -17.526 1.00 0.00 H new ATOM 0 HD21 ASN A 106 2.523 11.796 -14.593 1.00 0.00 H new ATOM 0 HD22 ASN A 106 3.854 11.778 -15.755 1.00 0.00 H new TER 1447 ASN A 106