USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 418 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 94 ASN :FLIP amide:sc= -6.21! C(o=-11!,f=-8.3!) USER MOD Set 1.2: A 95 HIS :FLIP no HD1:sc= -2.1! C(o=-14!,f=-8.3!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 71:sc= 0.177 USER MOD Single : A 78 ASN : amide:sc= -0.298 K(o=-0.3,f=-0.98) USER MOD Single : A 79 THR OG1 : rot -116:sc= 1.03 USER MOD Single : A 81 SER OG : rot 120:sc= -0.0635 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -159:sc= 0.0271 (180deg=0.000292) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot -165:sc= -0.521! USER MOD Single : A 96 ASN : amide:sc= -0.359 K(o=-0.36,f=-2.8!) USER MOD Single : A 100 CYS SG : rot -89:sc= 0.78 USER MOD Single : A 103 GLN : amide:sc= -2.58 K(o=-2.6,f=-3.2) USER MOD Single : A 104 THR OG1 : rot -34:sc= -0.599 USER MOD Single : A 105 LYS NZ :NH3+ 136:sc= -1.52! (180deg=-3.27!) USER MOD Single : A 106 ASN : amide:sc= -0.199 X(o=-0.2,f=-0.022) USER MOD Single : A 108 GLN : amide:sc= -0.268 K(o=-0.27,f=-2.9!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -4.53! C(o=-4.5!,f=-5.4!) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 12 N LEU A 65 4.354 0.000 -2.025 1.00 1.00 N ATOM 13 CA LEU A 65 5.801 0.000 -1.899 1.00 1.00 C ATOM 14 C LEU A 65 6.290 1.433 -1.681 1.00 1.00 C ATOM 15 O LEU A 65 5.517 2.382 -1.807 1.00 1.00 O ATOM 16 CB LEU A 65 6.445 -0.693 -3.102 1.00 1.00 C ATOM 17 CG LEU A 65 6.400 -2.222 -3.098 1.00 1.00 C ATOM 18 CD1 LEU A 65 7.067 -2.787 -1.843 1.00 1.00 C ATOM 19 CD2 LEU A 65 4.965 -2.729 -3.263 1.00 1.00 C ATOM 0 HA LEU A 65 6.106 -0.578 -1.027 1.00 1.00 H new ATOM 0 HB2 LEU A 65 5.953 -0.337 -4.007 1.00 1.00 H new ATOM 0 HB3 LEU A 65 7.487 -0.380 -3.161 1.00 1.00 H new ATOM 0 HG LEU A 65 6.969 -2.583 -3.955 1.00 1.00 H new ATOM 0 HD11 LEU A 65 7.021 -3.876 -1.865 1.00 1.00 H new ATOM 0 HD12 LEU A 65 8.109 -2.468 -1.810 1.00 1.00 H new ATOM 0 HD13 LEU A 65 6.547 -2.420 -0.958 1.00 1.00 H new ATOM 0 HD21 LEU A 65 4.961 -3.819 -3.257 1.00 1.00 H new ATOM 0 HD22 LEU A 65 4.352 -2.359 -2.441 1.00 1.00 H new ATOM 0 HD23 LEU A 65 4.559 -2.370 -4.209 1.00 1.00 H new ATOM 31 N PHE A 66 7.570 1.546 -1.358 1.00 1.00 N ATOM 32 CA PHE A 66 8.171 2.847 -1.121 1.00 1.00 C ATOM 33 C PHE A 66 9.359 3.081 -2.056 1.00 1.00 C ATOM 34 O PHE A 66 9.942 2.130 -2.575 1.00 1.00 O ATOM 35 CB PHE A 66 8.667 2.855 0.326 1.00 1.00 C ATOM 36 CG PHE A 66 7.752 2.111 1.301 1.00 1.00 C ATOM 37 CD1 PHE A 66 6.402 2.161 1.140 1.00 1.00 C ATOM 38 CD2 PHE A 66 8.288 1.400 2.329 1.00 1.00 C ATOM 39 CE1 PHE A 66 5.553 1.470 2.045 1.00 1.00 C ATOM 40 CE2 PHE A 66 7.439 0.709 3.234 1.00 1.00 C ATOM 41 CZ PHE A 66 6.090 0.759 3.072 1.00 1.00 C ATOM 0 H PHE A 66 8.208 0.757 -1.255 1.00 1.00 H new ATOM 0 HA PHE A 66 7.439 3.633 -1.304 1.00 1.00 H new ATOM 0 HB2 PHE A 66 9.660 2.407 0.362 1.00 1.00 H new ATOM 0 HB3 PHE A 66 8.771 3.888 0.658 1.00 1.00 H new ATOM 0 HD1 PHE A 66 5.976 2.726 0.324 1.00 1.00 H new ATOM 0 HD2 PHE A 66 9.360 1.361 2.457 1.00 1.00 H new ATOM 0 HE1 PHE A 66 4.481 1.509 1.917 1.00 1.00 H new ATOM 0 HE2 PHE A 66 7.865 0.144 4.050 1.00 1.00 H new ATOM 0 HZ PHE A 66 5.444 0.233 3.760 1.00 1.00 H new ATOM 51 N VAL A 67 9.684 4.352 -2.243 1.00 1.00 N ATOM 52 CA VAL A 67 10.792 4.722 -3.106 1.00 1.00 C ATOM 53 C VAL A 67 11.879 5.401 -2.270 1.00 1.00 C ATOM 54 O VAL A 67 11.577 6.174 -1.362 1.00 1.00 O ATOM 55 CB VAL A 67 10.289 5.597 -4.257 1.00 1.00 C ATOM 56 CG1 VAL A 67 9.898 4.743 -5.464 1.00 1.00 C ATOM 57 CG2 VAL A 67 9.122 6.478 -3.807 1.00 1.00 C ATOM 0 H VAL A 67 9.199 5.138 -1.811 1.00 1.00 H new ATOM 0 HA VAL A 67 11.236 3.836 -3.559 1.00 1.00 H new ATOM 0 HB VAL A 67 11.105 6.253 -4.561 1.00 1.00 H new ATOM 0 HG11 VAL A 67 9.544 5.389 -6.267 1.00 1.00 H new ATOM 0 HG12 VAL A 67 10.765 4.179 -5.807 1.00 1.00 H new ATOM 0 HG13 VAL A 67 9.105 4.051 -5.179 1.00 1.00 H new ATOM 0 HG21 VAL A 67 8.784 7.089 -4.644 1.00 1.00 H new ATOM 0 HG22 VAL A 67 8.302 5.848 -3.463 1.00 1.00 H new ATOM 0 HG23 VAL A 67 9.448 7.125 -2.993 1.00 1.00 H new ATOM 67 N ALA A 68 13.122 5.087 -2.607 1.00 1.00 N ATOM 68 CA ALA A 68 14.255 5.656 -1.899 1.00 1.00 C ATOM 69 C ALA A 68 14.365 7.145 -2.234 1.00 1.00 C ATOM 70 O ALA A 68 14.303 7.528 -3.401 1.00 1.00 O ATOM 71 CB ALA A 68 15.524 4.882 -2.260 1.00 1.00 C ATOM 0 H ALA A 68 13.368 4.446 -3.361 1.00 1.00 H new ATOM 0 HA ALA A 68 14.116 5.570 -0.821 1.00 1.00 H new ATOM 0 HB1 ALA A 68 16.374 5.309 -1.729 1.00 1.00 H new ATOM 0 HB2 ALA A 68 15.406 3.837 -1.975 1.00 1.00 H new ATOM 0 HB3 ALA A 68 15.697 4.948 -3.334 1.00 1.00 H new ATOM 77 N LEU A 69 14.527 7.944 -1.189 1.00 1.00 N ATOM 78 CA LEU A 69 14.646 9.382 -1.359 1.00 1.00 C ATOM 79 C LEU A 69 16.126 9.765 -1.405 1.00 1.00 C ATOM 80 O LEU A 69 16.670 10.029 -2.476 1.00 1.00 O ATOM 81 CB LEU A 69 13.854 10.117 -0.275 1.00 1.00 C ATOM 82 CG LEU A 69 12.697 10.989 -0.765 1.00 1.00 C ATOM 83 CD1 LEU A 69 11.957 11.630 0.412 1.00 1.00 C ATOM 84 CD2 LEU A 69 13.185 12.033 -1.771 1.00 1.00 C ATOM 0 H LEU A 69 14.579 7.623 -0.222 1.00 1.00 H new ATOM 0 HA LEU A 69 14.207 9.691 -2.307 1.00 1.00 H new ATOM 0 HB2 LEU A 69 13.457 9.378 0.421 1.00 1.00 H new ATOM 0 HB3 LEU A 69 14.544 10.746 0.288 1.00 1.00 H new ATOM 0 HG LEU A 69 11.984 10.349 -1.285 1.00 1.00 H new ATOM 0 HD11 LEU A 69 11.139 12.245 0.036 1.00 1.00 H new ATOM 0 HD12 LEU A 69 11.557 10.849 1.059 1.00 1.00 H new ATOM 0 HD13 LEU A 69 12.648 12.253 0.980 1.00 1.00 H new ATOM 0 HD21 LEU A 69 12.343 12.640 -2.103 1.00 1.00 H new ATOM 0 HD22 LEU A 69 13.929 12.674 -1.298 1.00 1.00 H new ATOM 0 HD23 LEU A 69 13.631 11.531 -2.629 1.00 1.00 H new ATOM 96 N TYR A 70 16.737 9.784 -0.229 1.00 1.00 N ATOM 97 CA TYR A 70 18.144 10.130 -0.121 1.00 1.00 C ATOM 98 C TYR A 70 19.029 8.900 -0.332 1.00 1.00 C ATOM 99 O TYR A 70 18.639 7.785 0.011 1.00 1.00 O ATOM 100 CB TYR A 70 18.343 10.649 1.304 1.00 1.00 C ATOM 101 CG TYR A 70 17.221 11.567 1.794 1.00 1.00 C ATOM 102 CD1 TYR A 70 16.105 11.029 2.402 1.00 1.00 C ATOM 103 CD2 TYR A 70 17.326 12.933 1.629 1.00 1.00 C ATOM 104 CE1 TYR A 70 15.050 11.893 2.864 1.00 1.00 C ATOM 105 CE2 TYR A 70 16.270 13.797 2.091 1.00 1.00 C ATOM 106 CZ TYR A 70 15.184 13.234 2.685 1.00 1.00 C ATOM 107 OH TYR A 70 14.187 14.050 3.121 1.00 1.00 O ATOM 0 H TYR A 70 16.283 9.565 0.658 1.00 1.00 H new ATOM 0 HA TYR A 70 18.417 10.867 -0.876 1.00 1.00 H new ATOM 0 HB2 TYR A 70 18.425 9.799 1.981 1.00 1.00 H new ATOM 0 HB3 TYR A 70 19.289 11.189 1.354 1.00 1.00 H new ATOM 0 HD1 TYR A 70 16.023 9.960 2.531 1.00 1.00 H new ATOM 0 HD2 TYR A 70 18.200 13.354 1.154 1.00 1.00 H new ATOM 0 HE1 TYR A 70 14.172 11.485 3.342 1.00 1.00 H new ATOM 0 HE2 TYR A 70 16.339 14.868 1.968 1.00 1.00 H new ATOM 0 HH TYR A 70 14.419 14.982 2.928 1.00 1.00 H new ATOM 117 N ASP A 71 20.203 9.145 -0.894 1.00 1.00 N ATOM 118 CA ASP A 71 21.147 8.071 -1.154 1.00 1.00 C ATOM 119 C ASP A 71 21.752 7.597 0.169 1.00 1.00 C ATOM 120 O ASP A 71 21.380 8.085 1.235 1.00 1.00 O ATOM 121 CB ASP A 71 22.290 8.547 -2.053 1.00 1.00 C ATOM 122 CG ASP A 71 23.155 9.662 -1.462 1.00 1.00 C ATOM 123 OD1 ASP A 71 23.219 9.731 -0.216 1.00 1.00 O ATOM 124 OD2 ASP A 71 23.732 10.421 -2.271 1.00 1.00 O ATOM 0 H ASP A 71 20.522 10.071 -1.177 1.00 1.00 H new ATOM 0 HA ASP A 71 20.609 7.264 -1.651 1.00 1.00 H new ATOM 0 HB2 ASP A 71 22.930 7.695 -2.284 1.00 1.00 H new ATOM 0 HB3 ASP A 71 21.870 8.895 -2.996 1.00 1.00 H new ATOM 129 N PHE A 72 22.674 6.653 0.057 1.00 1.00 N ATOM 130 CA PHE A 72 23.334 6.109 1.231 1.00 1.00 C ATOM 131 C PHE A 72 24.855 6.118 1.059 1.00 1.00 C ATOM 132 O PHE A 72 25.361 5.861 -0.032 1.00 1.00 O ATOM 133 CB PHE A 72 22.859 4.662 1.381 1.00 1.00 C ATOM 134 CG PHE A 72 23.178 4.040 2.742 1.00 1.00 C ATOM 135 CD1 PHE A 72 24.472 3.859 3.120 1.00 1.00 C ATOM 136 CD2 PHE A 72 22.168 3.668 3.573 1.00 1.00 C ATOM 137 CE1 PHE A 72 24.768 3.281 4.383 1.00 1.00 C ATOM 138 CE2 PHE A 72 22.464 3.091 4.836 1.00 1.00 C ATOM 139 CZ PHE A 72 23.758 2.909 5.214 1.00 1.00 C ATOM 0 H PHE A 72 22.980 6.251 -0.829 1.00 1.00 H new ATOM 0 HA PHE A 72 23.090 6.711 2.107 1.00 1.00 H new ATOM 0 HB2 PHE A 72 21.782 4.626 1.220 1.00 1.00 H new ATOM 0 HB3 PHE A 72 23.319 4.057 0.600 1.00 1.00 H new ATOM 0 HD1 PHE A 72 25.274 4.155 2.460 1.00 1.00 H new ATOM 0 HD2 PHE A 72 21.141 3.811 3.272 1.00 1.00 H new ATOM 0 HE1 PHE A 72 25.795 3.137 4.683 1.00 1.00 H new ATOM 0 HE2 PHE A 72 21.662 2.797 5.497 1.00 1.00 H new ATOM 0 HZ PHE A 72 23.983 2.469 6.174 1.00 1.00 H new ATOM 149 N VAL A 73 25.540 6.418 2.153 1.00 1.00 N ATOM 150 CA VAL A 73 26.992 6.464 2.137 1.00 1.00 C ATOM 151 C VAL A 73 27.542 5.422 3.113 1.00 1.00 C ATOM 152 O VAL A 73 27.216 5.443 4.299 1.00 1.00 O ATOM 153 CB VAL A 73 27.473 7.883 2.445 1.00 1.00 C ATOM 154 CG1 VAL A 73 27.070 8.304 3.860 1.00 1.00 C ATOM 155 CG2 VAL A 73 28.986 8.004 2.247 1.00 1.00 C ATOM 0 H VAL A 73 25.116 6.632 3.056 1.00 1.00 H new ATOM 0 HA VAL A 73 27.371 6.214 1.146 1.00 1.00 H new ATOM 0 HB VAL A 73 26.988 8.561 1.743 1.00 1.00 H new ATOM 0 HG11 VAL A 73 27.424 9.317 4.053 1.00 1.00 H new ATOM 0 HG12 VAL A 73 25.984 8.276 3.953 1.00 1.00 H new ATOM 0 HG13 VAL A 73 27.514 7.620 4.583 1.00 1.00 H new ATOM 0 HG21 VAL A 73 29.302 9.022 2.472 1.00 1.00 H new ATOM 0 HG22 VAL A 73 29.497 7.309 2.914 1.00 1.00 H new ATOM 0 HG23 VAL A 73 29.238 7.766 1.213 1.00 1.00 H new ATOM 165 N ALA A 74 28.366 4.534 2.577 1.00 1.00 N ATOM 166 CA ALA A 74 28.965 3.485 3.386 1.00 1.00 C ATOM 167 C ALA A 74 29.610 4.108 4.625 1.00 1.00 C ATOM 168 O ALA A 74 30.233 5.165 4.540 1.00 1.00 O ATOM 169 CB ALA A 74 29.968 2.697 2.540 1.00 1.00 C ATOM 0 H ALA A 74 28.633 4.519 1.593 1.00 1.00 H new ATOM 0 HA ALA A 74 28.205 2.783 3.728 1.00 1.00 H new ATOM 0 HB1 ALA A 74 30.417 1.911 3.147 1.00 1.00 H new ATOM 0 HB2 ALA A 74 29.454 2.250 1.689 1.00 1.00 H new ATOM 0 HB3 ALA A 74 30.748 3.368 2.181 1.00 1.00 H new ATOM 175 N SER A 75 29.437 3.426 5.748 1.00 1.00 N ATOM 176 CA SER A 75 29.995 3.900 7.004 1.00 1.00 C ATOM 177 C SER A 75 30.356 2.711 7.897 1.00 1.00 C ATOM 178 O SER A 75 31.531 2.470 8.171 1.00 1.00 O ATOM 179 CB SER A 75 29.016 4.828 7.726 1.00 1.00 C ATOM 180 OG SER A 75 28.751 6.011 6.977 1.00 1.00 O ATOM 0 H SER A 75 28.919 2.550 5.815 1.00 1.00 H new ATOM 0 HA SER A 75 30.898 4.469 6.784 1.00 1.00 H new ATOM 0 HB2 SER A 75 28.081 4.298 7.909 1.00 1.00 H new ATOM 0 HB3 SER A 75 29.424 5.099 8.700 1.00 1.00 H new ATOM 0 HG SER A 75 28.205 5.787 6.195 1.00 1.00 H new ATOM 186 N GLY A 76 29.324 2.000 8.327 1.00 1.00 N ATOM 187 CA GLY A 76 29.518 0.842 9.184 1.00 1.00 C ATOM 188 C GLY A 76 29.163 -0.451 8.447 1.00 1.00 C ATOM 189 O GLY A 76 28.649 -0.412 7.330 1.00 1.00 O ATOM 0 H GLY A 76 28.351 2.203 8.098 1.00 1.00 H new ATOM 0 HA2 GLY A 76 30.555 0.802 9.518 1.00 1.00 H new ATOM 0 HA3 GLY A 76 28.899 0.938 10.076 1.00 1.00 H new ATOM 193 N ASP A 77 29.452 -1.566 9.102 1.00 1.00 N ATOM 194 CA ASP A 77 29.170 -2.868 8.523 1.00 1.00 C ATOM 195 C ASP A 77 27.673 -2.977 8.227 1.00 1.00 C ATOM 196 O ASP A 77 26.899 -2.093 8.592 1.00 1.00 O ATOM 197 CB ASP A 77 29.543 -3.994 9.490 1.00 1.00 C ATOM 198 CG ASP A 77 31.003 -4.444 9.426 1.00 1.00 C ATOM 199 OD1 ASP A 77 31.737 -3.873 8.590 1.00 1.00 O ATOM 200 OD2 ASP A 77 31.353 -5.350 10.213 1.00 1.00 O ATOM 0 H ASP A 77 29.879 -1.594 10.028 1.00 1.00 H new ATOM 0 HA ASP A 77 29.759 -2.965 7.611 1.00 1.00 H new ATOM 0 HB2 ASP A 77 29.324 -3.667 10.506 1.00 1.00 H new ATOM 0 HB3 ASP A 77 28.904 -4.854 9.287 1.00 1.00 H new ATOM 205 N ASN A 78 27.310 -4.067 7.568 1.00 1.00 N ATOM 206 CA ASN A 78 25.919 -4.302 7.218 1.00 1.00 C ATOM 207 C ASN A 78 25.274 -2.981 6.793 1.00 1.00 C ATOM 208 O ASN A 78 24.609 -2.325 7.593 1.00 1.00 O ATOM 209 CB ASN A 78 25.135 -4.847 8.414 1.00 1.00 C ATOM 210 CG ASN A 78 24.311 -6.073 8.017 1.00 1.00 C ATOM 211 OD1 ASN A 78 23.660 -6.108 6.985 1.00 1.00 O ATOM 212 ND2 ASN A 78 24.375 -7.074 8.890 1.00 1.00 N ATOM 0 H ASN A 78 27.955 -4.798 7.267 1.00 1.00 H new ATOM 0 HA ASN A 78 25.894 -5.030 6.407 1.00 1.00 H new ATOM 0 HB2 ASN A 78 25.825 -5.112 9.215 1.00 1.00 H new ATOM 0 HB3 ASN A 78 24.475 -4.072 8.805 1.00 1.00 H new ATOM 0 HD21 ASN A 78 23.860 -7.937 8.715 1.00 1.00 H new ATOM 0 HD22 ASN A 78 24.939 -6.979 9.734 1.00 1.00 H new ATOM 219 N THR A 79 25.494 -2.631 5.534 1.00 1.00 N ATOM 220 CA THR A 79 24.943 -1.401 4.992 1.00 1.00 C ATOM 221 C THR A 79 24.657 -1.557 3.497 1.00 1.00 C ATOM 222 O THR A 79 25.065 -2.542 2.883 1.00 1.00 O ATOM 223 CB THR A 79 25.919 -0.266 5.309 1.00 1.00 C ATOM 224 OG1 THR A 79 25.172 0.610 6.150 1.00 1.00 O ATOM 225 CG2 THR A 79 26.246 0.586 4.081 1.00 1.00 C ATOM 0 H THR A 79 26.046 -3.178 4.874 1.00 1.00 H new ATOM 0 HA THR A 79 23.984 -1.162 5.451 1.00 1.00 H new ATOM 0 HB THR A 79 26.840 -0.683 5.717 1.00 1.00 H new ATOM 0 HG1 THR A 79 25.062 1.476 5.705 1.00 1.00 H new ATOM 0 HG21 THR A 79 26.942 1.376 4.361 1.00 1.00 H new ATOM 0 HG22 THR A 79 26.699 -0.041 3.313 1.00 1.00 H new ATOM 0 HG23 THR A 79 25.330 1.031 3.692 1.00 1.00 H new ATOM 233 N LEU A 80 23.959 -0.571 2.955 1.00 1.00 N ATOM 234 CA LEU A 80 23.614 -0.586 1.543 1.00 1.00 C ATOM 235 C LEU A 80 23.869 0.799 0.945 1.00 1.00 C ATOM 236 O LEU A 80 23.248 1.779 1.353 1.00 1.00 O ATOM 237 CB LEU A 80 22.181 -1.086 1.348 1.00 1.00 C ATOM 238 CG LEU A 80 21.924 -1.906 0.082 1.00 1.00 C ATOM 239 CD1 LEU A 80 20.495 -2.452 0.063 1.00 1.00 C ATOM 240 CD2 LEU A 80 22.242 -1.091 -1.173 1.00 1.00 C ATOM 0 H LEU A 80 23.623 0.244 3.468 1.00 1.00 H new ATOM 0 HA LEU A 80 24.249 -1.288 1.003 1.00 1.00 H new ATOM 0 HB2 LEU A 80 21.908 -1.692 2.212 1.00 1.00 H new ATOM 0 HB3 LEU A 80 21.514 -0.224 1.340 1.00 1.00 H new ATOM 0 HG LEU A 80 22.597 -2.764 0.088 1.00 1.00 H new ATOM 0 HD11 LEU A 80 20.339 -3.031 -0.847 1.00 1.00 H new ATOM 0 HD12 LEU A 80 20.338 -3.092 0.931 1.00 1.00 H new ATOM 0 HD13 LEU A 80 19.788 -1.623 0.091 1.00 1.00 H new ATOM 0 HD21 LEU A 80 22.051 -1.697 -2.059 1.00 1.00 H new ATOM 0 HD22 LEU A 80 21.612 -0.202 -1.199 1.00 1.00 H new ATOM 0 HD23 LEU A 80 23.290 -0.792 -1.157 1.00 1.00 H new ATOM 252 N SER A 81 24.784 0.835 -0.013 1.00 1.00 N ATOM 253 CA SER A 81 25.129 2.083 -0.671 1.00 1.00 C ATOM 254 C SER A 81 24.399 2.187 -2.011 1.00 1.00 C ATOM 255 O SER A 81 24.690 1.436 -2.941 1.00 1.00 O ATOM 256 CB SER A 81 26.640 2.197 -0.879 1.00 1.00 C ATOM 257 OG SER A 81 27.356 2.124 0.351 1.00 1.00 O ATOM 0 H SER A 81 25.297 0.020 -0.349 1.00 1.00 H new ATOM 0 HA SER A 81 24.815 2.906 -0.029 1.00 1.00 H new ATOM 0 HB2 SER A 81 26.976 1.399 -1.542 1.00 1.00 H new ATOM 0 HB3 SER A 81 26.867 3.140 -1.375 1.00 1.00 H new ATOM 0 HG SER A 81 27.967 1.358 0.329 1.00 1.00 H new ATOM 263 N ILE A 82 23.465 3.125 -2.069 1.00 1.00 N ATOM 264 CA ILE A 82 22.691 3.337 -3.281 1.00 1.00 C ATOM 265 C ILE A 82 22.732 4.820 -3.654 1.00 1.00 C ATOM 266 O ILE A 82 23.406 5.611 -2.996 1.00 1.00 O ATOM 267 CB ILE A 82 21.274 2.783 -3.115 1.00 1.00 C ATOM 268 CG1 ILE A 82 21.154 1.957 -1.833 1.00 1.00 C ATOM 269 CG2 ILE A 82 20.848 1.989 -4.351 1.00 1.00 C ATOM 270 CD1 ILE A 82 20.760 2.839 -0.647 1.00 1.00 C ATOM 0 H ILE A 82 23.227 3.747 -1.296 1.00 1.00 H new ATOM 0 HA ILE A 82 23.128 2.786 -4.114 1.00 1.00 H new ATOM 0 HB ILE A 82 20.587 3.624 -3.020 1.00 1.00 H new ATOM 0 HG12 ILE A 82 20.410 1.172 -1.970 1.00 1.00 H new ATOM 0 HG13 ILE A 82 22.103 1.463 -1.624 1.00 1.00 H new ATOM 0 HG21 ILE A 82 19.838 1.606 -4.207 1.00 1.00 H new ATOM 0 HG22 ILE A 82 20.869 2.639 -5.226 1.00 1.00 H new ATOM 0 HG23 ILE A 82 21.534 1.155 -4.502 1.00 1.00 H new ATOM 0 HD11 ILE A 82 20.682 2.227 0.251 1.00 1.00 H new ATOM 0 HD12 ILE A 82 21.518 3.608 -0.497 1.00 1.00 H new ATOM 0 HD13 ILE A 82 19.799 3.312 -0.849 1.00 1.00 H new ATOM 282 N THR A 83 22.002 5.152 -4.709 1.00 1.00 N ATOM 283 CA THR A 83 21.946 6.527 -5.177 1.00 1.00 C ATOM 284 C THR A 83 20.578 7.140 -4.871 1.00 1.00 C ATOM 285 O THR A 83 19.662 6.439 -4.444 1.00 1.00 O ATOM 286 CB THR A 83 22.295 6.532 -6.667 1.00 1.00 C ATOM 287 OG1 THR A 83 23.478 5.742 -6.750 1.00 1.00 O ATOM 288 CG2 THR A 83 22.733 7.913 -7.161 1.00 1.00 C ATOM 0 H THR A 83 21.445 4.493 -5.253 1.00 1.00 H new ATOM 0 HA THR A 83 22.670 7.153 -4.656 1.00 1.00 H new ATOM 0 HB THR A 83 21.432 6.197 -7.243 1.00 1.00 H new ATOM 0 HG1 THR A 83 23.773 5.691 -7.683 1.00 1.00 H new ATOM 0 HG21 THR A 83 22.969 7.861 -8.224 1.00 1.00 H new ATOM 0 HG22 THR A 83 21.926 8.629 -7.003 1.00 1.00 H new ATOM 0 HG23 THR A 83 23.616 8.234 -6.608 1.00 1.00 H new ATOM 296 N LYS A 84 20.484 8.441 -5.102 1.00 1.00 N ATOM 297 CA LYS A 84 19.243 9.156 -4.856 1.00 1.00 C ATOM 298 C LYS A 84 18.248 8.843 -5.975 1.00 1.00 C ATOM 299 O LYS A 84 18.630 8.322 -7.022 1.00 1.00 O ATOM 300 CB LYS A 84 19.514 10.651 -4.674 1.00 1.00 C ATOM 301 CG LYS A 84 20.537 11.152 -5.696 1.00 1.00 C ATOM 302 CD LYS A 84 21.941 11.193 -5.091 1.00 1.00 C ATOM 303 CE LYS A 84 22.522 12.607 -5.150 1.00 1.00 C ATOM 304 NZ LYS A 84 23.953 12.595 -4.772 1.00 1.00 N ATOM 0 H LYS A 84 21.246 9.018 -5.457 1.00 1.00 H new ATOM 0 HA LYS A 84 18.789 8.822 -3.923 1.00 1.00 H new ATOM 0 HB2 LYS A 84 18.584 11.209 -4.782 1.00 1.00 H new ATOM 0 HB3 LYS A 84 19.882 10.837 -3.665 1.00 1.00 H new ATOM 0 HG2 LYS A 84 20.533 10.500 -6.570 1.00 1.00 H new ATOM 0 HG3 LYS A 84 20.256 12.148 -6.039 1.00 1.00 H new ATOM 0 HD2 LYS A 84 21.905 10.854 -4.056 1.00 1.00 H new ATOM 0 HD3 LYS A 84 22.593 10.505 -5.629 1.00 1.00 H new ATOM 0 HE2 LYS A 84 22.409 13.011 -6.156 1.00 1.00 H new ATOM 0 HE3 LYS A 84 21.968 13.263 -4.478 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 24.241 13.548 -4.472 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 24.100 11.927 -3.989 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 24.525 12.302 -5.589 1.00 1.00 H new ATOM 318 N GLY A 85 16.992 9.175 -5.717 1.00 1.00 N ATOM 319 CA GLY A 85 15.939 8.935 -6.690 1.00 1.00 C ATOM 320 C GLY A 85 16.165 7.614 -7.427 1.00 1.00 C ATOM 321 O GLY A 85 15.792 7.478 -8.592 1.00 1.00 O ATOM 0 H GLY A 85 16.679 9.608 -4.848 1.00 1.00 H new ATOM 0 HA2 GLY A 85 14.972 8.914 -6.187 1.00 1.00 H new ATOM 0 HA3 GLY A 85 15.908 9.755 -7.407 1.00 1.00 H new ATOM 325 N GLU A 86 16.774 6.674 -6.719 1.00 1.00 N ATOM 326 CA GLU A 86 17.053 5.369 -7.293 1.00 1.00 C ATOM 327 C GLU A 86 15.894 4.409 -7.018 1.00 1.00 C ATOM 328 O GLU A 86 15.222 4.518 -5.993 1.00 1.00 O ATOM 329 CB GLU A 86 18.371 4.805 -6.756 1.00 1.00 C ATOM 330 CG GLU A 86 19.151 4.088 -7.860 1.00 1.00 C ATOM 331 CD GLU A 86 19.399 5.019 -9.049 1.00 1.00 C ATOM 332 OE1 GLU A 86 19.579 6.230 -8.793 1.00 1.00 O ATOM 333 OE2 GLU A 86 19.403 4.499 -10.185 1.00 1.00 O ATOM 0 H GLU A 86 17.082 6.790 -5.754 1.00 1.00 H new ATOM 0 HA GLU A 86 17.156 5.483 -8.372 1.00 1.00 H new ATOM 0 HB2 GLU A 86 18.976 5.613 -6.345 1.00 1.00 H new ATOM 0 HB3 GLU A 86 18.168 4.111 -5.940 1.00 1.00 H new ATOM 0 HG2 GLU A 86 20.104 3.734 -7.466 1.00 1.00 H new ATOM 0 HG3 GLU A 86 18.596 3.210 -8.191 1.00 1.00 H new ATOM 340 N LYS A 87 15.694 3.490 -7.951 1.00 1.00 N ATOM 341 CA LYS A 87 14.627 2.512 -7.823 1.00 1.00 C ATOM 342 C LYS A 87 14.971 1.534 -6.698 1.00 1.00 C ATOM 343 O LYS A 87 15.628 0.520 -6.931 1.00 1.00 O ATOM 344 CB LYS A 87 14.358 1.833 -9.167 1.00 1.00 C ATOM 345 CG LYS A 87 13.359 0.684 -9.011 1.00 1.00 C ATOM 346 CD LYS A 87 14.060 -0.671 -9.129 1.00 1.00 C ATOM 347 CE LYS A 87 13.171 -1.686 -9.850 1.00 1.00 C ATOM 348 NZ LYS A 87 13.894 -2.963 -10.044 1.00 1.00 N ATOM 0 H LYS A 87 16.253 3.402 -8.799 1.00 1.00 H new ATOM 0 HA LYS A 87 13.693 3.001 -7.547 1.00 1.00 H new ATOM 0 HB2 LYS A 87 13.969 2.564 -9.876 1.00 1.00 H new ATOM 0 HB3 LYS A 87 15.293 1.454 -9.580 1.00 1.00 H new ATOM 0 HG2 LYS A 87 12.863 0.758 -8.043 1.00 1.00 H new ATOM 0 HG3 LYS A 87 12.584 0.765 -9.774 1.00 1.00 H new ATOM 0 HD2 LYS A 87 14.998 -0.553 -9.672 1.00 1.00 H new ATOM 0 HD3 LYS A 87 14.311 -1.043 -8.136 1.00 1.00 H new ATOM 0 HE2 LYS A 87 12.264 -1.859 -9.271 1.00 1.00 H new ATOM 0 HE3 LYS A 87 12.862 -1.286 -10.816 1.00 1.00 H new ATOM 0 HZ1 LYS A 87 13.276 -3.641 -10.535 1.00 1.00 H new ATOM 0 HZ2 LYS A 87 14.747 -2.796 -10.615 1.00 1.00 H new ATOM 0 HZ3 LYS A 87 14.167 -3.351 -9.119 1.00 1.00 H new ATOM 362 N LEU A 88 14.512 1.872 -5.502 1.00 1.00 N ATOM 363 CA LEU A 88 14.763 1.036 -4.340 1.00 1.00 C ATOM 364 C LEU A 88 13.556 1.100 -3.401 1.00 1.00 C ATOM 365 O LEU A 88 13.084 2.185 -3.065 1.00 1.00 O ATOM 366 CB LEU A 88 16.083 1.428 -3.673 1.00 1.00 C ATOM 367 CG LEU A 88 16.262 0.975 -2.223 1.00 1.00 C ATOM 368 CD1 LEU A 88 17.714 1.141 -1.771 1.00 1.00 C ATOM 369 CD2 LEU A 88 15.286 1.704 -1.296 1.00 1.00 C ATOM 0 H LEU A 88 13.968 2.713 -5.312 1.00 1.00 H new ATOM 0 HA LEU A 88 14.881 -0.006 -4.638 1.00 1.00 H new ATOM 0 HB2 LEU A 88 16.902 1.018 -4.264 1.00 1.00 H new ATOM 0 HB3 LEU A 88 16.177 2.513 -3.708 1.00 1.00 H new ATOM 0 HG LEU A 88 16.027 -0.088 -2.166 1.00 1.00 H new ATOM 0 HD11 LEU A 88 17.813 0.812 -0.737 1.00 1.00 H new ATOM 0 HD12 LEU A 88 18.364 0.540 -2.407 1.00 1.00 H new ATOM 0 HD13 LEU A 88 18.001 2.190 -1.847 1.00 1.00 H new ATOM 0 HD21 LEU A 88 15.434 1.363 -0.271 1.00 1.00 H new ATOM 0 HD22 LEU A 88 15.465 2.778 -1.351 1.00 1.00 H new ATOM 0 HD23 LEU A 88 14.263 1.491 -1.605 1.00 1.00 H new ATOM 381 N ARG A 89 13.093 -0.076 -3.004 1.00 1.00 N ATOM 382 CA ARG A 89 11.951 -0.167 -2.110 1.00 1.00 C ATOM 383 C ARG A 89 12.221 -1.190 -1.006 1.00 1.00 C ATOM 384 O ARG A 89 12.953 -2.157 -1.216 1.00 1.00 O ATOM 385 CB ARG A 89 10.686 -0.570 -2.871 1.00 1.00 C ATOM 386 CG ARG A 89 10.693 0.005 -4.290 1.00 1.00 C ATOM 387 CD ARG A 89 9.356 -0.245 -4.989 1.00 1.00 C ATOM 388 NE ARG A 89 8.522 0.977 -4.937 1.00 1.00 N ATOM 389 CZ ARG A 89 7.533 1.249 -5.800 1.00 1.00 C ATOM 390 NH1 ARG A 89 7.249 0.388 -6.786 1.00 1.00 N ATOM 391 NH2 ARG A 89 6.829 2.382 -5.676 1.00 1.00 N ATOM 0 H ARG A 89 13.488 -0.974 -3.285 1.00 1.00 H new ATOM 0 HA ARG A 89 11.797 0.817 -1.668 1.00 1.00 H new ATOM 0 HB2 ARG A 89 10.615 -1.657 -2.915 1.00 1.00 H new ATOM 0 HB3 ARG A 89 9.806 -0.214 -2.335 1.00 1.00 H new ATOM 0 HG2 ARG A 89 10.893 1.076 -4.251 1.00 1.00 H new ATOM 0 HG3 ARG A 89 11.499 -0.449 -4.866 1.00 1.00 H new ATOM 0 HD2 ARG A 89 9.527 -0.535 -6.026 1.00 1.00 H new ATOM 0 HD3 ARG A 89 8.834 -1.072 -4.508 1.00 1.00 H new ATOM 0 HE ARG A 89 8.712 1.654 -4.198 1.00 1.00 H new ATOM 0 HH11 ARG A 89 7.785 -0.475 -6.880 1.00 1.00 H new ATOM 0 HH12 ARG A 89 6.496 0.595 -7.443 1.00 1.00 H new ATOM 0 HH21 ARG A 89 7.046 3.037 -4.925 1.00 1.00 H new ATOM 0 HH22 ARG A 89 6.076 2.589 -6.333 1.00 1.00 H new ATOM 405 N VAL A 90 11.616 -0.944 0.147 1.00 1.00 N ATOM 406 CA VAL A 90 11.782 -1.832 1.284 1.00 1.00 C ATOM 407 C VAL A 90 11.069 -3.156 1.001 1.00 1.00 C ATOM 408 O VAL A 90 9.936 -3.164 0.522 1.00 1.00 O ATOM 409 CB VAL A 90 11.287 -1.148 2.560 1.00 1.00 C ATOM 410 CG1 VAL A 90 10.946 -2.178 3.638 1.00 1.00 C ATOM 411 CG2 VAL A 90 12.314 -0.136 3.073 1.00 1.00 C ATOM 0 H VAL A 90 11.010 -0.142 0.318 1.00 1.00 H new ATOM 0 HA VAL A 90 12.837 -2.058 1.440 1.00 1.00 H new ATOM 0 HB VAL A 90 10.374 -0.605 2.316 1.00 1.00 H new ATOM 0 HG11 VAL A 90 10.597 -1.665 4.534 1.00 1.00 H new ATOM 0 HG12 VAL A 90 10.163 -2.842 3.272 1.00 1.00 H new ATOM 0 HG13 VAL A 90 11.835 -2.762 3.877 1.00 1.00 H new ATOM 0 HG21 VAL A 90 11.938 0.336 3.981 1.00 1.00 H new ATOM 0 HG22 VAL A 90 13.251 -0.648 3.292 1.00 1.00 H new ATOM 0 HG23 VAL A 90 12.486 0.626 2.312 1.00 1.00 H new ATOM 421 N LEU A 91 11.762 -4.243 1.308 1.00 1.00 N ATOM 422 CA LEU A 91 11.208 -5.569 1.093 1.00 1.00 C ATOM 423 C LEU A 91 10.873 -6.203 2.444 1.00 1.00 C ATOM 424 O LEU A 91 9.875 -6.911 2.571 1.00 1.00 O ATOM 425 CB LEU A 91 12.156 -6.412 0.236 1.00 1.00 C ATOM 426 CG LEU A 91 11.695 -6.692 -1.196 1.00 1.00 C ATOM 427 CD1 LEU A 91 12.868 -7.134 -2.072 1.00 1.00 C ATOM 428 CD2 LEU A 91 10.551 -7.708 -1.214 1.00 1.00 C ATOM 0 H LEU A 91 12.702 -4.232 1.704 1.00 1.00 H new ATOM 0 HA LEU A 91 10.276 -5.506 0.531 1.00 1.00 H new ATOM 0 HB2 LEU A 91 13.121 -5.908 0.194 1.00 1.00 H new ATOM 0 HB3 LEU A 91 12.317 -7.366 0.738 1.00 1.00 H new ATOM 0 HG LEU A 91 11.309 -5.765 -1.619 1.00 1.00 H new ATOM 0 HD11 LEU A 91 12.514 -7.327 -3.085 1.00 1.00 H new ATOM 0 HD12 LEU A 91 13.622 -6.347 -2.095 1.00 1.00 H new ATOM 0 HD13 LEU A 91 13.306 -8.044 -1.662 1.00 1.00 H new ATOM 0 HD21 LEU A 91 10.242 -7.890 -2.243 1.00 1.00 H new ATOM 0 HD22 LEU A 91 10.888 -8.643 -0.766 1.00 1.00 H new ATOM 0 HD23 LEU A 91 9.708 -7.316 -0.646 1.00 1.00 H new ATOM 440 N GLY A 92 11.725 -5.925 3.420 1.00 1.00 N ATOM 441 CA GLY A 92 11.532 -6.460 4.757 1.00 1.00 C ATOM 442 C GLY A 92 11.679 -5.362 5.813 1.00 1.00 C ATOM 443 O GLY A 92 12.056 -4.235 5.494 1.00 1.00 O ATOM 0 H GLY A 92 12.551 -5.336 3.311 1.00 1.00 H new ATOM 0 HA2 GLY A 92 10.543 -6.912 4.832 1.00 1.00 H new ATOM 0 HA3 GLY A 92 12.259 -7.250 4.945 1.00 1.00 H new ATOM 447 N TYR A 93 11.373 -5.729 7.049 1.00 1.00 N ATOM 448 CA TYR A 93 11.467 -4.790 8.153 1.00 1.00 C ATOM 449 C TYR A 93 12.231 -5.400 9.329 1.00 1.00 C ATOM 450 O TYR A 93 12.544 -6.590 9.320 1.00 1.00 O ATOM 451 CB TYR A 93 10.028 -4.505 8.588 1.00 1.00 C ATOM 452 CG TYR A 93 9.197 -3.761 7.541 1.00 1.00 C ATOM 453 CD1 TYR A 93 8.797 -4.408 6.389 1.00 1.00 C ATOM 454 CD2 TYR A 93 8.847 -2.442 7.748 1.00 1.00 C ATOM 455 CE1 TYR A 93 8.015 -3.707 5.404 1.00 1.00 C ATOM 456 CE2 TYR A 93 8.065 -1.741 6.763 1.00 1.00 C ATOM 457 CZ TYR A 93 7.687 -2.408 5.640 1.00 1.00 C ATOM 458 OH TYR A 93 6.949 -1.746 4.709 1.00 1.00 O ATOM 0 H TYR A 93 11.060 -6.664 7.310 1.00 1.00 H new ATOM 0 HA TYR A 93 11.997 -3.889 7.846 1.00 1.00 H new ATOM 0 HB2 TYR A 93 9.537 -5.449 8.823 1.00 1.00 H new ATOM 0 HB3 TYR A 93 10.046 -3.918 9.506 1.00 1.00 H new ATOM 0 HD1 TYR A 93 9.071 -5.440 6.227 1.00 1.00 H new ATOM 0 HD2 TYR A 93 9.160 -1.936 8.649 1.00 1.00 H new ATOM 0 HE1 TYR A 93 7.696 -4.201 4.498 1.00 1.00 H new ATOM 0 HE2 TYR A 93 7.785 -0.709 6.913 1.00 1.00 H new ATOM 0 HH TYR A 93 6.991 -0.782 4.883 1.00 1.00 H new ATOM 468 N ASN A 94 12.509 -4.559 10.314 1.00 1.00 N ATOM 469 CA ASN A 94 13.231 -5.001 11.495 1.00 1.00 C ATOM 470 C ASN A 94 12.260 -5.696 12.450 1.00 1.00 C ATOM 471 O ASN A 94 11.144 -5.222 12.660 1.00 1.00 O ATOM 472 CB ASN A 94 13.855 -3.816 12.235 1.00 1.00 C ATOM 473 CG ASN A 94 15.368 -3.995 12.380 1.00 1.00 C ATOM 474 OD1 ASN A 94 16.085 -3.185 11.606 1.00 1.00 O flip ATOM 475 ND2 ASN A 94 15.852 -4.814 13.143 1.00 1.00 N flip ATOM 0 H ASN A 94 12.247 -3.573 10.319 1.00 1.00 H new ATOM 0 HA ASN A 94 14.020 -5.681 11.173 1.00 1.00 H new ATOM 0 HB2 ASN A 94 13.645 -2.893 11.694 1.00 1.00 H new ATOM 0 HB3 ASN A 94 13.401 -3.718 13.221 1.00 1.00 H new ATOM 0 HD21 ASN A 94 15.244 -5.405 13.709 1.00 1.00 H new ATOM 0 HD22 ASN A 94 16.865 -4.908 13.215 1.00 1.00 H new ATOM 482 N HIS A 95 12.719 -6.808 13.005 1.00 1.00 N ATOM 483 CA HIS A 95 11.904 -7.574 13.933 1.00 1.00 C ATOM 484 C HIS A 95 11.079 -6.620 14.798 1.00 1.00 C ATOM 485 O HIS A 95 9.858 -6.551 14.663 1.00 1.00 O ATOM 486 CB HIS A 95 12.771 -8.525 14.760 1.00 1.00 C ATOM 487 CG HIS A 95 14.208 -8.080 14.901 1.00 1.00 C ATOM 488 ND1 HIS A 95 14.776 -6.848 14.770 1.00 1.00 N flip ATOM 489 CD2 HIS A 95 15.236 -8.954 15.211 1.00 1.00 C flip ATOM 490 CE1 HIS A 95 16.080 -6.962 14.989 1.00 1.00 C flip ATOM 491 NE2 HIS A 95 16.367 -8.267 15.263 1.00 1.00 N flip ATOM 0 H HIS A 95 13.645 -7.197 12.830 1.00 1.00 H new ATOM 0 HA HIS A 95 11.206 -8.202 13.378 1.00 1.00 H new ATOM 0 HB2 HIS A 95 12.334 -8.628 15.753 1.00 1.00 H new ATOM 0 HB3 HIS A 95 12.751 -9.513 14.299 1.00 1.00 H new ATOM 0 HD2 HIS A 95 15.133 -10.015 15.381 1.00 1.00 H new ATOM 0 HE1 HIS A 95 16.796 -6.154 14.956 1.00 1.00 H new ATOM 0 HE2 HIS A 95 17.290 -8.647 15.471 1.00 1.00 H new ATOM 499 N ASN A 96 11.778 -5.907 15.669 1.00 1.00 N ATOM 500 CA ASN A 96 11.126 -4.960 16.557 1.00 1.00 C ATOM 501 C ASN A 96 10.399 -3.903 15.723 1.00 1.00 C ATOM 502 O ASN A 96 9.183 -3.752 15.828 1.00 1.00 O ATOM 503 CB ASN A 96 12.146 -4.243 17.444 1.00 1.00 C ATOM 504 CG ASN A 96 11.971 -4.639 18.911 1.00 1.00 C ATOM 505 OD1 ASN A 96 11.219 -5.536 19.253 1.00 1.00 O ATOM 506 ND2 ASN A 96 12.707 -3.923 19.756 1.00 1.00 N ATOM 0 H ASN A 96 12.790 -5.966 15.779 1.00 1.00 H new ATOM 0 HA ASN A 96 10.428 -5.513 17.185 1.00 1.00 H new ATOM 0 HB2 ASN A 96 13.156 -4.489 17.115 1.00 1.00 H new ATOM 0 HB3 ASN A 96 12.030 -3.164 17.339 1.00 1.00 H new ATOM 0 HD21 ASN A 96 12.662 -4.111 20.757 1.00 1.00 H new ATOM 0 HD22 ASN A 96 13.317 -3.185 19.403 1.00 1.00 H new ATOM 513 N GLY A 97 11.175 -3.199 14.912 1.00 1.00 N ATOM 514 CA GLY A 97 10.620 -2.160 14.060 1.00 1.00 C ATOM 515 C GLY A 97 11.435 -0.870 14.168 1.00 1.00 C ATOM 516 O GLY A 97 10.956 0.128 14.703 1.00 1.00 O ATOM 0 H GLY A 97 12.183 -3.327 14.827 1.00 1.00 H new ATOM 0 HA2 GLY A 97 10.608 -2.501 13.025 1.00 1.00 H new ATOM 0 HA3 GLY A 97 9.586 -1.966 14.344 1.00 1.00 H new ATOM 520 N GLU A 98 12.653 -0.932 13.649 1.00 1.00 N ATOM 521 CA GLU A 98 13.539 0.220 13.680 1.00 1.00 C ATOM 522 C GLU A 98 13.930 0.627 12.258 1.00 1.00 C ATOM 523 O GLU A 98 13.683 1.758 11.842 1.00 1.00 O ATOM 524 CB GLU A 98 14.779 -0.065 14.530 1.00 1.00 C ATOM 525 CG GLU A 98 15.978 0.750 14.041 1.00 1.00 C ATOM 526 CD GLU A 98 15.739 2.248 14.237 1.00 1.00 C ATOM 527 OE1 GLU A 98 14.684 2.722 13.761 1.00 1.00 O ATOM 528 OE2 GLU A 98 16.616 2.886 14.858 1.00 1.00 O ATOM 0 H GLU A 98 13.047 -1.761 13.205 1.00 1.00 H new ATOM 0 HA GLU A 98 13.006 1.052 14.141 1.00 1.00 H new ATOM 0 HB2 GLU A 98 14.572 0.175 15.573 1.00 1.00 H new ATOM 0 HB3 GLU A 98 15.016 -1.128 14.489 1.00 1.00 H new ATOM 0 HG2 GLU A 98 16.874 0.447 14.583 1.00 1.00 H new ATOM 0 HG3 GLU A 98 16.158 0.542 12.986 1.00 1.00 H new ATOM 535 N TRP A 99 14.535 -0.317 11.552 1.00 1.00 N ATOM 536 CA TRP A 99 14.963 -0.071 10.185 1.00 1.00 C ATOM 537 C TRP A 99 14.252 -1.078 9.279 1.00 1.00 C ATOM 538 O TRP A 99 13.485 -1.914 9.755 1.00 1.00 O ATOM 539 CB TRP A 99 16.487 -0.132 10.068 1.00 1.00 C ATOM 540 CG TRP A 99 17.195 1.162 10.474 1.00 1.00 C ATOM 541 CD1 TRP A 99 16.769 2.102 11.330 1.00 1.00 C ATOM 542 CD2 TRP A 99 18.479 1.623 10.004 1.00 1.00 C ATOM 543 NE1 TRP A 99 17.681 3.131 11.445 1.00 1.00 N ATOM 544 CE2 TRP A 99 18.754 2.831 10.613 1.00 1.00 C ATOM 545 CE3 TRP A 99 19.378 1.040 9.095 1.00 1.00 C ATOM 546 CZ2 TRP A 99 19.927 3.558 10.379 1.00 1.00 C ATOM 547 CZ3 TRP A 99 20.546 1.779 8.871 1.00 1.00 C ATOM 548 CH2 TRP A 99 20.838 2.996 9.476 1.00 1.00 C ATOM 0 H TRP A 99 14.739 -1.254 11.901 1.00 1.00 H new ATOM 0 HA TRP A 99 14.688 0.935 9.870 1.00 1.00 H new ATOM 0 HB2 TRP A 99 16.857 -0.947 10.691 1.00 1.00 H new ATOM 0 HB3 TRP A 99 16.753 -0.372 9.038 1.00 1.00 H new ATOM 0 HD1 TRP A 99 15.830 2.059 11.862 1.00 1.00 H new ATOM 0 HE1 TRP A 99 17.586 3.959 12.032 1.00 1.00 H new ATOM 0 HE3 TRP A 99 19.183 0.096 8.607 1.00 1.00 H new ATOM 0 HZ2 TRP A 99 20.119 4.501 10.868 1.00 1.00 H new ATOM 0 HZ3 TRP A 99 21.271 1.375 8.180 1.00 1.00 H new ATOM 0 HH2 TRP A 99 21.763 3.506 9.251 1.00 1.00 H new ATOM 559 N CYS A 100 14.533 -0.966 7.989 1.00 1.00 N ATOM 560 CA CYS A 100 13.931 -1.857 7.011 1.00 1.00 C ATOM 561 C CYS A 100 15.017 -2.294 6.027 1.00 1.00 C ATOM 562 O CYS A 100 15.857 -1.490 5.626 1.00 1.00 O ATOM 563 CB CYS A 100 12.748 -1.198 6.300 1.00 1.00 C ATOM 564 SG CYS A 100 11.483 -0.695 7.523 1.00 1.00 S ATOM 0 H CYS A 100 15.170 -0.272 7.598 1.00 1.00 H new ATOM 0 HA CYS A 100 13.525 -2.734 7.515 1.00 1.00 H new ATOM 0 HB2 CYS A 100 13.089 -0.328 5.739 1.00 1.00 H new ATOM 0 HB3 CYS A 100 12.314 -1.892 5.580 1.00 1.00 H new ATOM 0 HG CYS A 100 10.655 -1.678 7.720 1.00 1.00 H new ATOM 570 N GLU A 101 14.965 -3.568 5.666 1.00 1.00 N ATOM 571 CA GLU A 101 15.934 -4.123 4.736 1.00 1.00 C ATOM 572 C GLU A 101 15.467 -3.912 3.295 1.00 1.00 C ATOM 573 O GLU A 101 14.311 -4.174 2.969 1.00 1.00 O ATOM 574 CB GLU A 101 16.182 -5.605 5.021 1.00 1.00 C ATOM 575 CG GLU A 101 17.568 -6.033 4.535 1.00 1.00 C ATOM 576 CD GLU A 101 18.037 -7.297 5.259 1.00 1.00 C ATOM 577 OE1 GLU A 101 17.230 -8.250 5.317 1.00 1.00 O ATOM 578 OE2 GLU A 101 19.191 -7.281 5.738 1.00 1.00 O ATOM 0 H GLU A 101 14.267 -4.232 6.001 1.00 1.00 H new ATOM 0 HA GLU A 101 16.880 -3.599 4.871 1.00 1.00 H new ATOM 0 HB2 GLU A 101 16.094 -5.793 6.091 1.00 1.00 H new ATOM 0 HB3 GLU A 101 15.418 -6.206 4.528 1.00 1.00 H new ATOM 0 HG2 GLU A 101 17.541 -6.214 3.460 1.00 1.00 H new ATOM 0 HG3 GLU A 101 18.282 -5.227 4.704 1.00 1.00 H new ATOM 585 N ALA A 102 16.391 -3.441 2.470 1.00 1.00 N ATOM 586 CA ALA A 102 16.089 -3.192 1.071 1.00 1.00 C ATOM 587 C ALA A 102 17.231 -3.726 0.204 1.00 1.00 C ATOM 588 O ALA A 102 18.349 -3.905 0.684 1.00 1.00 O ATOM 589 CB ALA A 102 15.846 -1.697 0.859 1.00 1.00 C ATOM 0 H ALA A 102 17.349 -3.225 2.744 1.00 1.00 H new ATOM 0 HA ALA A 102 15.179 -3.715 0.776 1.00 1.00 H new ATOM 0 HB1 ALA A 102 15.619 -1.510 -0.191 1.00 1.00 H new ATOM 0 HB2 ALA A 102 15.006 -1.374 1.474 1.00 1.00 H new ATOM 0 HB3 ALA A 102 16.739 -1.140 1.142 1.00 1.00 H new ATOM 595 N GLN A 103 16.910 -3.965 -1.059 1.00 1.00 N ATOM 596 CA GLN A 103 17.895 -4.475 -1.998 1.00 1.00 C ATOM 597 C GLN A 103 17.970 -3.573 -3.232 1.00 1.00 C ATOM 598 O GLN A 103 17.105 -2.722 -3.435 1.00 1.00 O ATOM 599 CB GLN A 103 17.581 -5.919 -2.393 1.00 1.00 C ATOM 600 CG GLN A 103 16.076 -6.188 -2.334 1.00 1.00 C ATOM 601 CD GLN A 103 15.777 -7.676 -2.529 1.00 1.00 C ATOM 602 OE1 GLN A 103 15.627 -8.435 -1.585 1.00 1.00 O ATOM 603 NE2 GLN A 103 15.699 -8.050 -3.803 1.00 1.00 N ATOM 0 H GLN A 103 15.982 -3.815 -1.454 1.00 1.00 H new ATOM 0 HA GLN A 103 18.869 -4.471 -1.509 1.00 1.00 H new ATOM 0 HB2 GLN A 103 17.950 -6.113 -3.400 1.00 1.00 H new ATOM 0 HB3 GLN A 103 18.103 -6.604 -1.725 1.00 1.00 H new ATOM 0 HG2 GLN A 103 15.681 -5.857 -1.374 1.00 1.00 H new ATOM 0 HG3 GLN A 103 15.569 -5.607 -3.104 1.00 1.00 H new ATOM 0 HE21 GLN A 103 15.835 -7.364 -4.545 1.00 1.00 H new ATOM 0 HE22 GLN A 103 15.503 -9.023 -4.038 1.00 1.00 H new ATOM 612 N THR A 104 19.010 -3.790 -4.022 1.00 1.00 N ATOM 613 CA THR A 104 19.208 -3.007 -5.230 1.00 1.00 C ATOM 614 C THR A 104 19.506 -3.925 -6.418 1.00 1.00 C ATOM 615 O THR A 104 19.668 -5.133 -6.248 1.00 1.00 O ATOM 616 CB THR A 104 20.317 -1.989 -4.957 1.00 1.00 C ATOM 617 OG1 THR A 104 21.520 -2.741 -5.089 1.00 1.00 O ATOM 618 CG2 THR A 104 20.331 -1.515 -3.502 1.00 1.00 C ATOM 0 H THR A 104 19.725 -4.497 -3.850 1.00 1.00 H new ATOM 0 HA THR A 104 18.304 -2.461 -5.500 1.00 1.00 H new ATOM 0 HB THR A 104 20.192 -1.131 -5.617 1.00 1.00 H new ATOM 0 HG1 THR A 104 21.369 -3.658 -4.777 1.00 1.00 H new ATOM 0 HG21 THR A 104 21.136 -0.794 -3.362 1.00 1.00 H new ATOM 0 HG22 THR A 104 19.377 -1.044 -3.263 1.00 1.00 H new ATOM 0 HG23 THR A 104 20.489 -2.369 -2.843 1.00 1.00 H new ATOM 626 N LYS A 105 19.569 -3.318 -7.593 1.00 1.00 N ATOM 627 CA LYS A 105 19.844 -4.065 -8.809 1.00 1.00 C ATOM 628 C LYS A 105 20.779 -5.231 -8.484 1.00 1.00 C ATOM 629 O LYS A 105 20.371 -6.391 -8.531 1.00 1.00 O ATOM 630 CB LYS A 105 20.376 -3.135 -9.901 1.00 1.00 C ATOM 631 CG LYS A 105 19.228 -2.471 -10.663 1.00 1.00 C ATOM 632 CD LYS A 105 19.502 -0.981 -10.878 1.00 1.00 C ATOM 633 CE LYS A 105 19.346 -0.201 -9.572 1.00 1.00 C ATOM 634 NZ LYS A 105 20.625 -0.174 -8.828 1.00 1.00 N ATOM 0 H LYS A 105 19.434 -2.316 -7.730 1.00 1.00 H new ATOM 0 HA LYS A 105 18.925 -4.494 -9.209 1.00 1.00 H new ATOM 0 HB2 LYS A 105 21.011 -2.370 -9.454 1.00 1.00 H new ATOM 0 HB3 LYS A 105 20.998 -3.701 -10.594 1.00 1.00 H new ATOM 0 HG2 LYS A 105 19.094 -2.963 -11.627 1.00 1.00 H new ATOM 0 HG3 LYS A 105 18.298 -2.597 -10.109 1.00 1.00 H new ATOM 0 HD2 LYS A 105 20.511 -0.846 -11.268 1.00 1.00 H new ATOM 0 HD3 LYS A 105 18.815 -0.586 -11.626 1.00 1.00 H new ATOM 0 HE2 LYS A 105 19.022 0.817 -9.786 1.00 1.00 H new ATOM 0 HE3 LYS A 105 18.571 -0.660 -8.958 1.00 1.00 H new ATOM 0 HZ1 LYS A 105 20.795 0.786 -8.465 1.00 1.00 H new ATOM 0 HZ2 LYS A 105 20.578 -0.842 -8.032 1.00 1.00 H new ATOM 0 HZ3 LYS A 105 21.402 -0.447 -9.463 1.00 1.00 H new ATOM 648 N ASN A 106 22.017 -4.884 -8.162 1.00 1.00 N ATOM 649 CA ASN A 106 23.014 -5.887 -7.830 1.00 1.00 C ATOM 650 C ASN A 106 23.725 -5.485 -6.536 1.00 1.00 C ATOM 651 O ASN A 106 24.951 -5.406 -6.497 1.00 1.00 O ATOM 652 CB ASN A 106 24.068 -6.003 -8.933 1.00 1.00 C ATOM 653 CG ASN A 106 23.427 -5.890 -10.318 1.00 1.00 C ATOM 654 OD1 ASN A 106 22.984 -6.862 -10.906 1.00 1.00 O ATOM 655 ND2 ASN A 106 23.404 -4.652 -10.803 1.00 1.00 N ATOM 0 H ASN A 106 22.352 -3.921 -8.124 1.00 1.00 H new ATOM 0 HA ASN A 106 22.504 -6.844 -7.717 1.00 1.00 H new ATOM 0 HB2 ASN A 106 24.816 -5.220 -8.810 1.00 1.00 H new ATOM 0 HB3 ASN A 106 24.588 -6.957 -8.846 1.00 1.00 H new ATOM 0 HD21 ASN A 106 22.997 -4.471 -11.721 1.00 1.00 H new ATOM 0 HD22 ASN A 106 23.793 -3.883 -10.257 1.00 1.00 H new ATOM 662 N GLY A 107 22.924 -5.241 -5.510 1.00 1.00 N ATOM 663 CA GLY A 107 23.461 -4.849 -4.218 1.00 1.00 C ATOM 664 C GLY A 107 22.377 -4.887 -3.139 1.00 1.00 C ATOM 665 O GLY A 107 21.305 -4.308 -3.310 1.00 1.00 O ATOM 0 H GLY A 107 21.907 -5.307 -5.547 1.00 1.00 H new ATOM 0 HA2 GLY A 107 24.277 -5.516 -3.942 1.00 1.00 H new ATOM 0 HA3 GLY A 107 23.879 -3.844 -4.284 1.00 1.00 H new ATOM 669 N GLN A 108 22.694 -5.574 -2.051 1.00 1.00 N ATOM 670 CA GLN A 108 21.760 -5.695 -0.944 1.00 1.00 C ATOM 671 C GLN A 108 22.390 -5.156 0.342 1.00 1.00 C ATOM 672 O GLN A 108 23.612 -5.089 0.458 1.00 1.00 O ATOM 673 CB GLN A 108 21.306 -7.145 -0.766 1.00 1.00 C ATOM 674 CG GLN A 108 20.329 -7.553 -1.871 1.00 1.00 C ATOM 675 CD GLN A 108 20.993 -8.510 -2.864 1.00 1.00 C ATOM 676 OE1 GLN A 108 22.153 -8.867 -2.741 1.00 1.00 O ATOM 677 NE2 GLN A 108 20.194 -8.903 -3.852 1.00 1.00 N ATOM 0 H GLN A 108 23.584 -6.052 -1.912 1.00 1.00 H new ATOM 0 HA GLN A 108 20.877 -5.098 -1.171 1.00 1.00 H new ATOM 0 HB2 GLN A 108 22.173 -7.806 -0.780 1.00 1.00 H new ATOM 0 HB3 GLN A 108 20.830 -7.264 0.207 1.00 1.00 H new ATOM 0 HG2 GLN A 108 19.454 -8.030 -1.430 1.00 1.00 H new ATOM 0 HG3 GLN A 108 19.977 -6.665 -2.396 1.00 1.00 H new ATOM 0 HE21 GLN A 108 19.232 -8.566 -3.895 1.00 1.00 H new ATOM 0 HE22 GLN A 108 20.543 -9.542 -4.566 1.00 1.00 H new ATOM 686 N GLY A 109 21.525 -4.787 1.276 1.00 1.00 N ATOM 687 CA GLY A 109 21.981 -4.256 2.549 1.00 1.00 C ATOM 688 C GLY A 109 20.817 -3.661 3.344 1.00 1.00 C ATOM 689 O GLY A 109 19.661 -3.779 2.940 1.00 1.00 O ATOM 0 H GLY A 109 20.512 -4.845 1.176 1.00 1.00 H new ATOM 0 HA2 GLY A 109 22.455 -5.048 3.129 1.00 1.00 H new ATOM 0 HA3 GLY A 109 22.738 -3.491 2.378 1.00 1.00 H new ATOM 693 N TRP A 110 21.162 -3.034 4.459 1.00 1.00 N ATOM 694 CA TRP A 110 20.160 -2.420 5.313 1.00 1.00 C ATOM 695 C TRP A 110 19.928 -0.991 4.818 1.00 1.00 C ATOM 696 O TRP A 110 20.759 -0.436 4.102 1.00 1.00 O ATOM 697 CB TRP A 110 20.580 -2.483 6.783 1.00 1.00 C ATOM 698 CG TRP A 110 20.087 -3.730 7.519 1.00 1.00 C ATOM 699 CD1 TRP A 110 20.731 -4.892 7.697 1.00 1.00 C ATOM 700 CD2 TRP A 110 18.811 -3.895 8.173 1.00 1.00 C ATOM 701 NE1 TRP A 110 19.967 -5.789 8.415 1.00 1.00 N ATOM 702 CE2 TRP A 110 18.762 -5.164 8.713 1.00 1.00 C ATOM 703 CE3 TRP A 110 17.733 -3.001 8.303 1.00 1.00 C ATOM 704 CZ2 TRP A 110 17.658 -5.654 9.420 1.00 1.00 C ATOM 705 CZ3 TRP A 110 16.637 -3.506 9.013 1.00 1.00 C ATOM 706 CH2 TRP A 110 16.573 -4.781 9.563 1.00 1.00 C ATOM 0 H TRP A 110 22.122 -2.938 4.791 1.00 1.00 H new ATOM 0 HA TRP A 110 19.218 -2.965 5.256 1.00 1.00 H new ATOM 0 HB2 TRP A 110 21.668 -2.446 6.841 1.00 1.00 H new ATOM 0 HB3 TRP A 110 20.203 -1.598 7.296 1.00 1.00 H new ATOM 0 HD1 TRP A 110 21.723 -5.100 7.325 1.00 1.00 H new ATOM 0 HE1 TRP A 110 20.237 -6.737 8.679 1.00 1.00 H new ATOM 0 HE3 TRP A 110 17.749 -2.004 7.888 1.00 1.00 H new ATOM 0 HZ2 TRP A 110 17.644 -6.652 9.833 1.00 1.00 H new ATOM 0 HZ3 TRP A 110 15.781 -2.860 9.142 1.00 1.00 H new ATOM 0 HH2 TRP A 110 15.690 -5.097 10.098 1.00 1.00 H new ATOM 717 N VAL A 111 18.793 -0.437 5.220 1.00 1.00 N ATOM 718 CA VAL A 111 18.441 0.916 4.826 1.00 1.00 C ATOM 719 C VAL A 111 17.392 1.468 5.793 1.00 1.00 C ATOM 720 O VAL A 111 16.397 0.803 6.081 1.00 1.00 O ATOM 721 CB VAL A 111 17.978 0.933 3.368 1.00 1.00 C ATOM 722 CG1 VAL A 111 16.530 0.454 3.247 1.00 1.00 C ATOM 723 CG2 VAL A 111 18.148 2.324 2.755 1.00 1.00 C ATOM 0 H VAL A 111 18.106 -0.901 5.814 1.00 1.00 H new ATOM 0 HA VAL A 111 19.312 1.569 4.884 1.00 1.00 H new ATOM 0 HB VAL A 111 18.608 0.241 2.809 1.00 1.00 H new ATOM 0 HG11 VAL A 111 16.226 0.476 2.201 1.00 1.00 H new ATOM 0 HG12 VAL A 111 16.451 -0.565 3.627 1.00 1.00 H new ATOM 0 HG13 VAL A 111 15.880 1.109 3.827 1.00 1.00 H new ATOM 0 HG21 VAL A 111 17.812 2.308 1.718 1.00 1.00 H new ATOM 0 HG22 VAL A 111 17.555 3.045 3.318 1.00 1.00 H new ATOM 0 HG23 VAL A 111 19.199 2.612 2.791 1.00 1.00 H new ATOM 733 N PRO A 112 17.655 2.710 6.281 1.00 1.00 N ATOM 734 CA PRO A 112 16.745 3.358 7.210 1.00 1.00 C ATOM 735 C PRO A 112 15.497 3.868 6.488 1.00 1.00 C ATOM 736 O PRO A 112 15.573 4.299 5.338 1.00 1.00 O ATOM 737 CB PRO A 112 17.560 4.471 7.847 1.00 1.00 C ATOM 738 CG PRO A 112 18.744 4.702 6.922 1.00 1.00 C ATOM 739 CD PRO A 112 18.823 3.526 5.962 1.00 1.00 C ATOM 0 HA PRO A 112 16.364 2.677 7.971 1.00 1.00 H new ATOM 0 HB2 PRO A 112 16.965 5.378 7.954 1.00 1.00 H new ATOM 0 HB3 PRO A 112 17.894 4.189 8.845 1.00 1.00 H new ATOM 0 HG2 PRO A 112 18.623 5.636 6.373 1.00 1.00 H new ATOM 0 HG3 PRO A 112 19.666 4.788 7.497 1.00 1.00 H new ATOM 0 HD2 PRO A 112 18.802 3.859 4.924 1.00 1.00 H new ATOM 0 HD3 PRO A 112 19.748 2.965 6.098 1.00 1.00 H new ATOM 747 N SER A 113 14.376 3.804 7.192 1.00 1.00 N ATOM 748 CA SER A 113 13.113 4.255 6.633 1.00 1.00 C ATOM 749 C SER A 113 13.066 5.784 6.612 1.00 1.00 C ATOM 750 O SER A 113 12.304 6.375 5.848 1.00 1.00 O ATOM 751 CB SER A 113 11.930 3.698 7.426 1.00 1.00 C ATOM 752 OG SER A 113 11.268 4.711 8.179 1.00 1.00 O ATOM 0 H SER A 113 14.316 3.446 8.145 1.00 1.00 H new ATOM 0 HA SER A 113 13.038 3.882 5.612 1.00 1.00 H new ATOM 0 HB2 SER A 113 11.221 3.234 6.741 1.00 1.00 H new ATOM 0 HB3 SER A 113 12.281 2.916 8.100 1.00 1.00 H new ATOM 0 HG SER A 113 10.518 4.316 8.670 1.00 1.00 H new ATOM 758 N ASN A 114 13.891 6.381 7.460 1.00 1.00 N ATOM 759 CA ASN A 114 13.953 7.830 7.549 1.00 1.00 C ATOM 760 C ASN A 114 14.588 8.388 6.274 1.00 1.00 C ATOM 761 O ASN A 114 14.530 9.591 6.022 1.00 1.00 O ATOM 762 CB ASN A 114 14.809 8.273 8.737 1.00 1.00 C ATOM 763 CG ASN A 114 16.066 7.410 8.859 1.00 1.00 C ATOM 764 OD1 ASN A 114 17.075 7.642 8.212 1.00 1.00 O ATOM 765 ND2 ASN A 114 15.950 6.404 9.721 1.00 1.00 N ATOM 0 H ASN A 114 14.522 5.887 8.091 1.00 1.00 H new ATOM 0 HA ASN A 114 12.937 8.204 7.678 1.00 1.00 H new ATOM 0 HB2 ASN A 114 15.092 9.319 8.616 1.00 1.00 H new ATOM 0 HB3 ASN A 114 14.226 8.205 9.655 1.00 1.00 H new ATOM 0 HD21 ASN A 114 16.734 5.770 9.873 1.00 1.00 H new ATOM 0 HD22 ASN A 114 15.077 6.267 10.230 1.00 1.00 H new ATOM 772 N TYR A 115 15.181 7.488 5.503 1.00 1.00 N ATOM 773 CA TYR A 115 15.826 7.875 4.261 1.00 1.00 C ATOM 774 C TYR A 115 14.978 7.472 3.053 1.00 1.00 C ATOM 775 O TYR A 115 15.229 7.921 1.936 1.00 1.00 O ATOM 776 CB TYR A 115 17.151 7.110 4.217 1.00 1.00 C ATOM 777 CG TYR A 115 18.361 7.936 4.658 1.00 1.00 C ATOM 778 CD1 TYR A 115 18.277 8.741 5.776 1.00 1.00 C ATOM 779 CD2 TYR A 115 19.537 7.876 3.938 1.00 1.00 C ATOM 780 CE1 TYR A 115 19.416 9.518 6.191 1.00 1.00 C ATOM 781 CE2 TYR A 115 20.676 8.653 4.353 1.00 1.00 C ATOM 782 CZ TYR A 115 20.559 9.436 5.459 1.00 1.00 C ATOM 783 OH TYR A 115 21.635 10.170 5.851 1.00 1.00 O ATOM 0 H TYR A 115 15.228 6.491 5.715 1.00 1.00 H new ATOM 0 HA TYR A 115 15.965 8.955 4.222 1.00 1.00 H new ATOM 0 HB2 TYR A 115 17.072 6.230 4.856 1.00 1.00 H new ATOM 0 HB3 TYR A 115 17.319 6.752 3.201 1.00 1.00 H new ATOM 0 HD1 TYR A 115 17.357 8.788 6.340 1.00 1.00 H new ATOM 0 HD2 TYR A 115 19.603 7.246 3.063 1.00 1.00 H new ATOM 0 HE1 TYR A 115 19.364 10.152 7.064 1.00 1.00 H new ATOM 0 HE2 TYR A 115 21.602 8.615 3.799 1.00 1.00 H new ATOM 0 HH TYR A 115 22.381 10.011 5.235 1.00 1.00 H new ATOM 793 N ILE A 116 13.992 6.628 3.319 1.00 1.00 N ATOM 794 CA ILE A 116 13.105 6.159 2.267 1.00 1.00 C ATOM 795 C ILE A 116 11.679 6.626 2.563 1.00 1.00 C ATOM 796 O ILE A 116 11.301 6.782 3.723 1.00 1.00 O ATOM 797 CB ILE A 116 13.233 4.644 2.095 1.00 1.00 C ATOM 798 CG1 ILE A 116 14.689 4.241 1.851 1.00 1.00 C ATOM 799 CG2 ILE A 116 12.305 4.137 0.989 1.00 1.00 C ATOM 800 CD1 ILE A 116 14.855 2.721 1.911 1.00 1.00 C ATOM 0 H ILE A 116 13.788 6.257 4.247 1.00 1.00 H new ATOM 0 HA ILE A 116 13.389 6.591 1.307 1.00 1.00 H new ATOM 0 HB ILE A 116 12.918 4.167 3.023 1.00 1.00 H new ATOM 0 HG12 ILE A 116 15.013 4.608 0.877 1.00 1.00 H new ATOM 0 HG13 ILE A 116 15.330 4.710 2.598 1.00 1.00 H new ATOM 0 HG21 ILE A 116 12.416 3.057 0.888 1.00 1.00 H new ATOM 0 HG22 ILE A 116 11.272 4.373 1.244 1.00 1.00 H new ATOM 0 HG23 ILE A 116 12.565 4.619 0.046 1.00 1.00 H new ATOM 0 HD11 ILE A 116 15.899 2.462 1.734 1.00 1.00 H new ATOM 0 HD12 ILE A 116 14.553 2.361 2.894 1.00 1.00 H new ATOM 0 HD13 ILE A 116 14.231 2.256 1.147 1.00 1.00 H new ATOM 812 N THR A 117 10.925 6.835 1.494 1.00 1.00 N ATOM 813 CA THR A 117 9.548 7.281 1.624 1.00 1.00 C ATOM 814 C THR A 117 8.617 6.382 0.808 1.00 1.00 C ATOM 815 O THR A 117 9.004 5.872 -0.242 1.00 1.00 O ATOM 816 CB THR A 117 9.487 8.753 1.212 1.00 1.00 C ATOM 817 OG1 THR A 117 8.216 8.884 0.581 1.00 1.00 O ATOM 818 CG2 THR A 117 10.488 9.094 0.108 1.00 1.00 C ATOM 0 H THR A 117 11.242 6.704 0.533 1.00 1.00 H new ATOM 0 HA THR A 117 9.202 7.203 2.655 1.00 1.00 H new ATOM 0 HB THR A 117 9.679 9.382 2.082 1.00 1.00 H new ATOM 0 HG1 THR A 117 8.092 9.810 0.284 1.00 1.00 H new ATOM 0 HG21 THR A 117 10.403 10.150 -0.147 1.00 1.00 H new ATOM 0 HG22 THR A 117 11.499 8.885 0.457 1.00 1.00 H new ATOM 0 HG23 THR A 117 10.276 8.490 -0.774 1.00 1.00 H new ATOM 826 N PRO A 118 7.375 6.212 1.336 1.00 1.00 N ATOM 827 CA PRO A 118 6.385 5.384 0.668 1.00 1.00 C ATOM 828 C PRO A 118 5.806 6.100 -0.554 1.00 1.00 C ATOM 829 O PRO A 118 6.123 7.261 -0.806 1.00 1.00 O ATOM 830 CB PRO A 118 5.341 5.083 1.731 1.00 1.00 C ATOM 831 CG PRO A 118 5.540 6.128 2.816 1.00 1.00 C ATOM 832 CD PRO A 118 6.882 6.800 2.577 1.00 1.00 C ATOM 0 HA PRO A 118 6.807 4.461 0.272 1.00 1.00 H new ATOM 0 HB2 PRO A 118 4.334 5.137 1.316 1.00 1.00 H new ATOM 0 HB3 PRO A 118 5.468 4.077 2.130 1.00 1.00 H new ATOM 0 HG2 PRO A 118 4.735 6.863 2.790 1.00 1.00 H new ATOM 0 HG3 PRO A 118 5.516 5.664 3.802 1.00 1.00 H new ATOM 0 HD2 PRO A 118 6.773 7.881 2.487 1.00 1.00 H new ATOM 0 HD3 PRO A 118 7.569 6.616 3.403 1.00 1.00 H new ATOM 840 N VAL A 119 4.966 5.377 -1.281 1.00 1.00 N ATOM 841 CA VAL A 119 4.340 5.928 -2.470 1.00 1.00 C ATOM 842 C VAL A 119 3.139 6.782 -2.059 1.00 1.00 C ATOM 843 O VAL A 119 3.304 7.846 -1.464 1.00 1.00 O ATOM 844 CB VAL A 119 3.969 4.801 -3.436 1.00 1.00 C ATOM 845 CG1 VAL A 119 3.264 5.353 -4.677 1.00 1.00 C ATOM 846 CG2 VAL A 119 5.202 3.984 -3.824 1.00 1.00 C ATOM 0 H VAL A 119 4.705 4.414 -1.069 1.00 1.00 H new ATOM 0 HA VAL A 119 5.035 6.578 -3.001 1.00 1.00 H new ATOM 0 HB VAL A 119 3.274 4.136 -2.924 1.00 1.00 H new ATOM 0 HG11 VAL A 119 3.011 4.532 -5.347 1.00 1.00 H new ATOM 0 HG12 VAL A 119 2.353 5.871 -4.378 1.00 1.00 H new ATOM 0 HG13 VAL A 119 3.925 6.050 -5.191 1.00 1.00 H new ATOM 0 HG21 VAL A 119 4.911 3.190 -4.511 1.00 1.00 H new ATOM 0 HG22 VAL A 119 5.931 4.633 -4.308 1.00 1.00 H new ATOM 0 HG23 VAL A 119 5.644 3.546 -2.929 1.00 1.00 H new ATOM 856 N SER A 120 1.957 6.285 -2.392 1.00 1.00 N ATOM 857 CA SER A 120 0.729 6.989 -2.065 1.00 1.00 C ATOM 858 C SER A 120 -0.030 6.237 -0.970 1.00 1.00 C ATOM 859 O SER A 120 -1.059 6.782 -0.516 1.00 1.00 O ATOM 860 CB SER A 120 -0.155 7.159 -3.303 1.00 1.00 C ATOM 861 OG SER A 120 -0.315 5.936 -4.016 1.00 1.00 O ATOM 862 OXT SER A 120 0.372 5.146 -0.569 1.00 1.00 O ATOM 0 H SER A 120 1.824 5.402 -2.885 1.00 1.00 H new ATOM 0 HA SER A 120 0.991 7.982 -1.700 1.00 1.00 H new ATOM 0 HB2 SER A 120 -1.133 7.534 -3.001 1.00 1.00 H new ATOM 0 HB3 SER A 120 0.284 7.908 -3.962 1.00 1.00 H new ATOM 0 HG SER A 120 -0.887 6.086 -4.798 1.00 1.00 H new