USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=13 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 100 CYS SG : rot -108:sc= -0.311! USER MOD Set 1.2: A 113 SER OG : rot 109:sc= 0.735 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot -87:sc= 1.23 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -155:sc= -0.0953 (180deg=-0.99) USER MOD Single : A 93 TYR OH : rot 33:sc= 0.994 USER MOD Single : A 94 ASN : amide:sc= -7.24! C(o=-7.2!,f=-10!) USER MOD Single : A 95 HIS : no HD1:sc= -3.18! C(o=-3.2!,f=-2!) USER MOD Single : A 96 ASN : amide:sc= -0.206 X(o=-0.21,f=-0.071) USER MOD Single : A 103 GLN : amide:sc= -6.94! C(o=-6.9!,f=-16!) USER MOD Single : A 104 THR OG1 : rot 39:sc= -2.49! USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -0.148 K(o=-0.15,f=-1.1!) USER MOD Single : A 108 GLN : amide:sc= -0.75 K(o=-0.75,f=-2.8!) USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 180:sc= -1.61 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 6.358 1.313 -2.453 1.00 1.00 C ATOM 15 O LEU A 65 6.173 1.622 -3.630 1.00 1.00 O ATOM 16 CB LEU A 65 6.397 -1.247 -2.556 1.00 1.00 C ATOM 17 CG LEU A 65 6.162 -2.569 -1.824 1.00 1.00 C ATOM 18 CD1 LEU A 65 6.624 -2.479 -0.368 1.00 1.00 C ATOM 19 CD2 LEU A 65 4.699 -3.005 -1.934 1.00 1.00 C ATOM 0 HA LEU A 65 6.091 -0.052 -0.850 1.00 1.00 H new ATOM 0 HB2 LEU A 65 5.987 -1.334 -3.562 1.00 1.00 H new ATOM 0 HB3 LEU A 65 7.472 -1.099 -2.661 1.00 1.00 H new ATOM 0 HG LEU A 65 6.765 -3.338 -2.307 1.00 1.00 H new ATOM 0 HD11 LEU A 65 6.446 -3.432 0.130 1.00 1.00 H new ATOM 0 HD12 LEU A 65 7.689 -2.247 -0.338 1.00 1.00 H new ATOM 0 HD13 LEU A 65 6.067 -1.693 0.143 1.00 1.00 H new ATOM 0 HD21 LEU A 65 4.560 -3.948 -1.405 1.00 1.00 H new ATOM 0 HD22 LEU A 65 4.058 -2.242 -1.492 1.00 1.00 H new ATOM 0 HD23 LEU A 65 4.436 -3.136 -2.984 1.00 1.00 H new ATOM 31 N PHE A 66 7.027 2.051 -1.580 1.00 1.00 N ATOM 32 CA PHE A 66 7.611 3.323 -1.968 1.00 1.00 C ATOM 33 C PHE A 66 9.137 3.286 -1.849 1.00 1.00 C ATOM 34 O PHE A 66 9.681 2.541 -1.035 1.00 1.00 O ATOM 35 CB PHE A 66 7.063 4.379 -1.005 1.00 1.00 C ATOM 36 CG PHE A 66 5.646 4.090 -0.506 1.00 1.00 C ATOM 37 CD1 PHE A 66 5.444 3.162 0.467 1.00 1.00 C ATOM 38 CD2 PHE A 66 4.588 4.761 -1.036 1.00 1.00 C ATOM 39 CE1 PHE A 66 4.129 2.893 0.930 1.00 1.00 C ATOM 40 CE2 PHE A 66 3.273 4.492 -0.573 1.00 1.00 C ATOM 41 CZ PHE A 66 3.071 3.564 0.400 1.00 1.00 C ATOM 0 H PHE A 66 7.178 1.792 -0.605 1.00 1.00 H new ATOM 0 HA PHE A 66 7.359 3.547 -3.005 1.00 1.00 H new ATOM 0 HB2 PHE A 66 7.731 4.455 -0.147 1.00 1.00 H new ATOM 0 HB3 PHE A 66 7.071 5.349 -1.502 1.00 1.00 H new ATOM 0 HD1 PHE A 66 6.284 2.629 0.888 1.00 1.00 H new ATOM 0 HD2 PHE A 66 4.748 5.498 -1.809 1.00 1.00 H new ATOM 0 HE1 PHE A 66 3.969 2.156 1.703 1.00 1.00 H new ATOM 0 HE2 PHE A 66 2.433 5.025 -0.994 1.00 1.00 H new ATOM 0 HZ PHE A 66 2.071 3.360 0.752 1.00 1.00 H new ATOM 51 N VAL A 67 9.783 4.097 -2.673 1.00 1.00 N ATOM 52 CA VAL A 67 11.234 4.166 -2.671 1.00 1.00 C ATOM 53 C VAL A 67 11.673 5.582 -2.293 1.00 1.00 C ATOM 54 O VAL A 67 11.002 6.555 -2.634 1.00 1.00 O ATOM 55 CB VAL A 67 11.781 3.712 -4.025 1.00 1.00 C ATOM 56 CG1 VAL A 67 10.793 2.782 -4.732 1.00 1.00 C ATOM 57 CG2 VAL A 67 12.130 4.913 -4.906 1.00 1.00 C ATOM 0 H VAL A 67 9.328 4.712 -3.347 1.00 1.00 H new ATOM 0 HA VAL A 67 11.647 3.488 -1.924 1.00 1.00 H new ATOM 0 HB VAL A 67 12.698 3.151 -3.845 1.00 1.00 H new ATOM 0 HG11 VAL A 67 11.207 2.474 -5.692 1.00 1.00 H new ATOM 0 HG12 VAL A 67 10.616 1.902 -4.114 1.00 1.00 H new ATOM 0 HG13 VAL A 67 9.852 3.307 -4.894 1.00 1.00 H new ATOM 0 HG21 VAL A 67 12.517 4.562 -5.863 1.00 1.00 H new ATOM 0 HG22 VAL A 67 11.236 5.513 -5.074 1.00 1.00 H new ATOM 0 HG23 VAL A 67 12.887 5.521 -4.410 1.00 1.00 H new ATOM 67 N ALA A 68 12.795 5.653 -1.593 1.00 1.00 N ATOM 68 CA ALA A 68 13.332 6.934 -1.165 1.00 1.00 C ATOM 69 C ALA A 68 13.767 7.735 -2.394 1.00 1.00 C ATOM 70 O ALA A 68 14.497 7.228 -3.243 1.00 1.00 O ATOM 71 CB ALA A 68 14.481 6.704 -0.182 1.00 1.00 C ATOM 0 H ALA A 68 13.348 4.844 -1.311 1.00 1.00 H new ATOM 0 HA ALA A 68 12.571 7.515 -0.645 1.00 1.00 H new ATOM 0 HB1 ALA A 68 14.883 7.665 0.139 1.00 1.00 H new ATOM 0 HB2 ALA A 68 14.113 6.157 0.686 1.00 1.00 H new ATOM 0 HB3 ALA A 68 15.266 6.126 -0.669 1.00 1.00 H new ATOM 77 N LEU A 69 13.300 8.974 -2.448 1.00 1.00 N ATOM 78 CA LEU A 69 13.632 9.851 -3.558 1.00 1.00 C ATOM 79 C LEU A 69 15.070 10.348 -3.397 1.00 1.00 C ATOM 80 O LEU A 69 15.917 10.098 -4.254 1.00 1.00 O ATOM 81 CB LEU A 69 12.602 10.976 -3.679 1.00 1.00 C ATOM 82 CG LEU A 69 11.930 11.126 -5.045 1.00 1.00 C ATOM 83 CD1 LEU A 69 10.495 11.636 -4.897 1.00 1.00 C ATOM 84 CD2 LEU A 69 12.762 12.015 -5.971 1.00 1.00 C ATOM 0 H LEU A 69 12.695 9.391 -1.741 1.00 1.00 H new ATOM 0 HA LEU A 69 13.586 9.306 -4.501 1.00 1.00 H new ATOM 0 HB2 LEU A 69 11.826 10.814 -2.931 1.00 1.00 H new ATOM 0 HB3 LEU A 69 13.091 11.918 -3.432 1.00 1.00 H new ATOM 0 HG LEU A 69 11.875 10.141 -5.509 1.00 1.00 H new ATOM 0 HD11 LEU A 69 10.040 11.734 -5.883 1.00 1.00 H new ATOM 0 HD12 LEU A 69 9.918 10.930 -4.299 1.00 1.00 H new ATOM 0 HD13 LEU A 69 10.503 12.608 -4.403 1.00 1.00 H new ATOM 0 HD21 LEU A 69 12.262 12.105 -6.935 1.00 1.00 H new ATOM 0 HD22 LEU A 69 12.871 13.004 -5.525 1.00 1.00 H new ATOM 0 HD23 LEU A 69 13.747 11.571 -6.113 1.00 1.00 H new ATOM 96 N TYR A 70 15.302 11.043 -2.293 1.00 1.00 N ATOM 97 CA TYR A 70 16.623 11.578 -2.009 1.00 1.00 C ATOM 98 C TYR A 70 17.247 10.883 -0.797 1.00 1.00 C ATOM 99 O TYR A 70 16.550 10.221 -0.030 1.00 1.00 O ATOM 100 CB TYR A 70 16.417 13.059 -1.683 1.00 1.00 C ATOM 101 CG TYR A 70 16.321 13.960 -2.916 1.00 1.00 C ATOM 102 CD1 TYR A 70 17.470 14.446 -3.506 1.00 1.00 C ATOM 103 CD2 TYR A 70 15.086 14.286 -3.438 1.00 1.00 C ATOM 104 CE1 TYR A 70 17.380 15.294 -4.667 1.00 1.00 C ATOM 105 CE2 TYR A 70 14.996 15.134 -4.598 1.00 1.00 C ATOM 106 CZ TYR A 70 16.147 15.596 -5.155 1.00 1.00 C ATOM 107 OH TYR A 70 16.062 16.397 -6.251 1.00 1.00 O ATOM 0 H TYR A 70 14.597 11.248 -1.584 1.00 1.00 H new ATOM 0 HA TYR A 70 17.290 11.426 -2.858 1.00 1.00 H new ATOM 0 HB2 TYR A 70 15.506 13.168 -1.094 1.00 1.00 H new ATOM 0 HB3 TYR A 70 17.242 13.401 -1.059 1.00 1.00 H new ATOM 0 HD1 TYR A 70 18.437 14.191 -3.097 1.00 1.00 H new ATOM 0 HD2 TYR A 70 14.187 13.905 -2.976 1.00 1.00 H new ATOM 0 HE1 TYR A 70 18.271 15.681 -5.139 1.00 1.00 H new ATOM 0 HE2 TYR A 70 14.036 15.397 -5.016 1.00 1.00 H new ATOM 0 HH TYR A 70 15.120 16.527 -6.489 1.00 1.00 H new ATOM 117 N ASP A 71 18.553 11.057 -0.663 1.00 1.00 N ATOM 118 CA ASP A 71 19.279 10.455 0.443 1.00 1.00 C ATOM 119 C ASP A 71 18.935 11.196 1.736 1.00 1.00 C ATOM 120 O ASP A 71 18.225 12.200 1.711 1.00 1.00 O ATOM 121 CB ASP A 71 20.790 10.554 0.228 1.00 1.00 C ATOM 122 CG ASP A 71 21.299 11.943 -0.161 1.00 1.00 C ATOM 123 OD1 ASP A 71 20.498 12.895 -0.041 1.00 1.00 O ATOM 124 OD2 ASP A 71 22.478 12.023 -0.570 1.00 1.00 O ATOM 0 H ASP A 71 19.128 11.606 -1.302 1.00 1.00 H new ATOM 0 HA ASP A 71 18.992 9.405 0.504 1.00 1.00 H new ATOM 0 HB2 ASP A 71 21.293 10.243 1.143 1.00 1.00 H new ATOM 0 HB3 ASP A 71 21.078 9.847 -0.550 1.00 1.00 H new ATOM 129 N PHE A 72 19.456 10.673 2.837 1.00 1.00 N ATOM 130 CA PHE A 72 19.213 11.273 4.138 1.00 1.00 C ATOM 131 C PHE A 72 20.528 11.672 4.811 1.00 1.00 C ATOM 132 O PHE A 72 21.394 10.830 5.038 1.00 1.00 O ATOM 133 CB PHE A 72 18.516 10.214 4.995 1.00 1.00 C ATOM 134 CG PHE A 72 17.708 10.790 6.160 1.00 1.00 C ATOM 135 CD1 PHE A 72 18.349 11.370 7.210 1.00 1.00 C ATOM 136 CD2 PHE A 72 16.350 10.722 6.145 1.00 1.00 C ATOM 137 CE1 PHE A 72 17.599 11.904 8.292 1.00 1.00 C ATOM 138 CE2 PHE A 72 15.601 11.257 7.226 1.00 1.00 C ATOM 139 CZ PHE A 72 16.241 11.837 8.276 1.00 1.00 C ATOM 0 H PHE A 72 20.045 9.841 2.855 1.00 1.00 H new ATOM 0 HA PHE A 72 18.605 12.171 4.027 1.00 1.00 H new ATOM 0 HB2 PHE A 72 17.852 9.627 4.360 1.00 1.00 H new ATOM 0 HB3 PHE A 72 19.266 9.529 5.390 1.00 1.00 H new ATOM 0 HD1 PHE A 72 19.428 11.425 7.221 1.00 1.00 H new ATOM 0 HD2 PHE A 72 15.841 10.261 5.311 1.00 1.00 H new ATOM 0 HE1 PHE A 72 18.107 12.363 9.127 1.00 1.00 H new ATOM 0 HE2 PHE A 72 14.522 11.203 7.214 1.00 1.00 H new ATOM 0 HZ PHE A 72 15.671 12.245 9.098 1.00 1.00 H new ATOM 149 N VAL A 73 20.635 12.958 5.111 1.00 1.00 N ATOM 150 CA VAL A 73 21.829 13.480 5.754 1.00 1.00 C ATOM 151 C VAL A 73 21.422 14.420 6.890 1.00 1.00 C ATOM 152 O VAL A 73 22.193 15.294 7.284 1.00 1.00 O ATOM 153 CB VAL A 73 22.731 14.152 4.716 1.00 1.00 C ATOM 154 CG1 VAL A 73 22.001 15.302 4.019 1.00 1.00 C ATOM 155 CG2 VAL A 73 24.035 14.636 5.354 1.00 1.00 C ATOM 0 H VAL A 73 19.914 13.654 4.921 1.00 1.00 H new ATOM 0 HA VAL A 73 22.410 12.670 6.195 1.00 1.00 H new ATOM 0 HB VAL A 73 22.984 13.409 3.960 1.00 1.00 H new ATOM 0 HG11 VAL A 73 22.664 15.763 3.286 1.00 1.00 H new ATOM 0 HG12 VAL A 73 21.114 14.918 3.515 1.00 1.00 H new ATOM 0 HG13 VAL A 73 21.704 16.046 4.758 1.00 1.00 H new ATOM 0 HG21 VAL A 73 24.658 15.110 4.595 1.00 1.00 H new ATOM 0 HG22 VAL A 73 23.810 15.357 6.140 1.00 1.00 H new ATOM 0 HG23 VAL A 73 24.568 13.787 5.782 1.00 1.00 H new ATOM 165 N ALA A 74 20.212 14.208 7.386 1.00 1.00 N ATOM 166 CA ALA A 74 19.693 15.026 8.469 1.00 1.00 C ATOM 167 C ALA A 74 20.363 14.611 9.781 1.00 1.00 C ATOM 168 O ALA A 74 21.144 13.661 9.810 1.00 1.00 O ATOM 169 CB ALA A 74 18.170 14.893 8.525 1.00 1.00 C ATOM 0 H ALA A 74 19.576 13.481 7.058 1.00 1.00 H new ATOM 0 HA ALA A 74 19.922 16.078 8.299 1.00 1.00 H new ATOM 0 HB1 ALA A 74 17.781 15.507 9.337 1.00 1.00 H new ATOM 0 HB2 ALA A 74 17.741 15.227 7.580 1.00 1.00 H new ATOM 0 HB3 ALA A 74 17.902 13.851 8.697 1.00 1.00 H new ATOM 175 N SER A 75 20.032 15.343 10.835 1.00 1.00 N ATOM 176 CA SER A 75 20.592 15.063 12.146 1.00 1.00 C ATOM 177 C SER A 75 19.597 15.466 13.236 1.00 1.00 C ATOM 178 O SER A 75 18.573 16.085 12.950 1.00 1.00 O ATOM 179 CB SER A 75 21.922 15.793 12.344 1.00 1.00 C ATOM 180 OG SER A 75 22.724 15.177 13.349 1.00 1.00 O ATOM 0 H SER A 75 19.383 16.129 10.807 1.00 1.00 H new ATOM 0 HA SER A 75 20.783 13.992 12.215 1.00 1.00 H new ATOM 0 HB2 SER A 75 22.470 15.810 11.402 1.00 1.00 H new ATOM 0 HB3 SER A 75 21.729 16.830 12.619 1.00 1.00 H new ATOM 0 HG SER A 75 23.565 15.671 13.445 1.00 1.00 H new ATOM 186 N GLY A 76 19.933 15.099 14.464 1.00 1.00 N ATOM 187 CA GLY A 76 19.082 15.415 15.599 1.00 1.00 C ATOM 188 C GLY A 76 18.469 14.146 16.195 1.00 1.00 C ATOM 189 O GLY A 76 19.136 13.117 16.291 1.00 1.00 O ATOM 0 H GLY A 76 20.783 14.586 14.698 1.00 1.00 H new ATOM 0 HA2 GLY A 76 19.664 15.935 16.361 1.00 1.00 H new ATOM 0 HA3 GLY A 76 18.289 16.094 15.286 1.00 1.00 H new ATOM 193 N ASP A 77 17.206 14.261 16.578 1.00 1.00 N ATOM 194 CA ASP A 77 16.496 13.136 17.162 1.00 1.00 C ATOM 195 C ASP A 77 16.629 11.921 16.241 1.00 1.00 C ATOM 196 O ASP A 77 17.320 11.981 15.225 1.00 1.00 O ATOM 197 CB ASP A 77 15.007 13.447 17.322 1.00 1.00 C ATOM 198 CG ASP A 77 14.381 14.225 16.163 1.00 1.00 C ATOM 199 OD1 ASP A 77 14.684 13.862 15.006 1.00 1.00 O ATOM 200 OD2 ASP A 77 13.613 15.166 16.459 1.00 1.00 O ATOM 0 H ASP A 77 16.656 15.116 16.495 1.00 1.00 H new ATOM 0 HA ASP A 77 16.930 12.936 18.142 1.00 1.00 H new ATOM 0 HB2 ASP A 77 14.466 12.508 17.444 1.00 1.00 H new ATOM 0 HB3 ASP A 77 14.867 14.017 18.240 1.00 1.00 H new ATOM 205 N ASN A 78 15.955 10.848 16.628 1.00 1.00 N ATOM 206 CA ASN A 78 15.989 9.622 15.850 1.00 1.00 C ATOM 207 C ASN A 78 15.968 9.968 14.360 1.00 1.00 C ATOM 208 O ASN A 78 15.117 10.732 13.908 1.00 1.00 O ATOM 209 CB ASN A 78 14.771 8.746 16.149 1.00 1.00 C ATOM 210 CG ASN A 78 15.081 7.734 17.254 1.00 1.00 C ATOM 211 OD1 ASN A 78 15.371 6.575 17.006 1.00 1.00 O ATOM 212 ND2 ASN A 78 15.004 8.235 18.483 1.00 1.00 N ATOM 0 H ASN A 78 15.382 10.803 17.471 1.00 1.00 H new ATOM 0 HA ASN A 78 16.897 9.080 16.115 1.00 1.00 H new ATOM 0 HB2 ASN A 78 13.932 9.374 16.451 1.00 1.00 H new ATOM 0 HB3 ASN A 78 14.466 8.220 15.244 1.00 1.00 H new ATOM 0 HD21 ASN A 78 15.193 7.640 19.289 1.00 1.00 H new ATOM 0 HD22 ASN A 78 14.756 9.215 18.620 1.00 1.00 H new ATOM 219 N THR A 79 16.916 9.388 13.637 1.00 1.00 N ATOM 220 CA THR A 79 17.017 9.626 12.207 1.00 1.00 C ATOM 221 C THR A 79 17.510 8.367 11.491 1.00 1.00 C ATOM 222 O THR A 79 17.938 7.410 12.134 1.00 1.00 O ATOM 223 CB THR A 79 17.921 10.841 11.993 1.00 1.00 C ATOM 224 OG1 THR A 79 17.056 11.824 11.432 1.00 1.00 O ATOM 225 CG2 THR A 79 18.971 10.604 10.905 1.00 1.00 C ATOM 0 H THR A 79 17.620 8.754 14.015 1.00 1.00 H new ATOM 0 HA THR A 79 16.042 9.848 11.773 1.00 1.00 H new ATOM 0 HB THR A 79 18.418 11.093 12.930 1.00 1.00 H new ATOM 0 HG1 THR A 79 17.029 11.719 10.458 1.00 1.00 H new ATOM 0 HG21 THR A 79 19.586 11.497 10.793 1.00 1.00 H new ATOM 0 HG22 THR A 79 19.602 9.761 11.186 1.00 1.00 H new ATOM 0 HG23 THR A 79 18.473 10.385 9.960 1.00 1.00 H new ATOM 233 N LEU A 80 17.433 8.408 10.169 1.00 1.00 N ATOM 234 CA LEU A 80 17.866 7.283 9.358 1.00 1.00 C ATOM 235 C LEU A 80 18.726 7.795 8.201 1.00 1.00 C ATOM 236 O LEU A 80 18.244 8.533 7.344 1.00 1.00 O ATOM 237 CB LEU A 80 16.662 6.452 8.909 1.00 1.00 C ATOM 238 CG LEU A 80 16.873 4.937 8.863 1.00 1.00 C ATOM 239 CD1 LEU A 80 15.558 4.209 8.577 1.00 1.00 C ATOM 240 CD2 LEU A 80 17.964 4.566 7.857 1.00 1.00 C ATOM 0 H LEU A 80 17.077 9.203 9.639 1.00 1.00 H new ATOM 0 HA LEU A 80 18.489 6.608 9.944 1.00 1.00 H new ATOM 0 HB2 LEU A 80 15.829 6.663 9.580 1.00 1.00 H new ATOM 0 HB3 LEU A 80 16.364 6.788 7.916 1.00 1.00 H new ATOM 0 HG LEU A 80 17.215 4.610 9.845 1.00 1.00 H new ATOM 0 HD11 LEU A 80 15.736 3.134 8.550 1.00 1.00 H new ATOM 0 HD12 LEU A 80 14.837 4.438 9.362 1.00 1.00 H new ATOM 0 HD13 LEU A 80 15.163 4.536 7.615 1.00 1.00 H new ATOM 0 HD21 LEU A 80 18.094 3.484 7.844 1.00 1.00 H new ATOM 0 HD22 LEU A 80 17.675 4.909 6.864 1.00 1.00 H new ATOM 0 HD23 LEU A 80 18.902 5.041 8.146 1.00 1.00 H new ATOM 252 N SER A 81 19.985 7.381 8.214 1.00 1.00 N ATOM 253 CA SER A 81 20.917 7.788 7.176 1.00 1.00 C ATOM 254 C SER A 81 21.051 6.681 6.130 1.00 1.00 C ATOM 255 O SER A 81 21.633 5.632 6.402 1.00 1.00 O ATOM 256 CB SER A 81 22.286 8.128 7.768 1.00 1.00 C ATOM 257 OG SER A 81 22.205 9.172 8.735 1.00 1.00 O ATOM 0 H SER A 81 20.381 6.768 8.927 1.00 1.00 H new ATOM 0 HA SER A 81 20.525 8.685 6.697 1.00 1.00 H new ATOM 0 HB2 SER A 81 22.712 7.238 8.230 1.00 1.00 H new ATOM 0 HB3 SER A 81 22.963 8.427 6.968 1.00 1.00 H new ATOM 0 HG SER A 81 23.099 9.359 9.091 1.00 1.00 H new ATOM 263 N ILE A 82 20.504 6.951 4.954 1.00 1.00 N ATOM 264 CA ILE A 82 20.555 5.990 3.865 1.00 1.00 C ATOM 265 C ILE A 82 20.908 6.717 2.566 1.00 1.00 C ATOM 266 O ILE A 82 21.229 7.905 2.582 1.00 1.00 O ATOM 267 CB ILE A 82 19.250 5.195 3.790 1.00 1.00 C ATOM 268 CG1 ILE A 82 18.250 5.683 4.840 1.00 1.00 C ATOM 269 CG2 ILE A 82 19.516 3.693 3.907 1.00 1.00 C ATOM 270 CD1 ILE A 82 17.691 7.058 4.467 1.00 1.00 C ATOM 0 H ILE A 82 20.023 7.822 4.731 1.00 1.00 H new ATOM 0 HA ILE A 82 21.339 5.254 4.042 1.00 1.00 H new ATOM 0 HB ILE A 82 18.800 5.367 2.812 1.00 1.00 H new ATOM 0 HG12 ILE A 82 17.433 4.967 4.930 1.00 1.00 H new ATOM 0 HG13 ILE A 82 18.737 5.736 5.814 1.00 1.00 H new ATOM 0 HG21 ILE A 82 18.572 3.151 3.851 1.00 1.00 H new ATOM 0 HG22 ILE A 82 20.167 3.374 3.093 1.00 1.00 H new ATOM 0 HG23 ILE A 82 19.999 3.482 4.861 1.00 1.00 H new ATOM 0 HD11 ILE A 82 16.983 7.382 5.230 1.00 1.00 H new ATOM 0 HD12 ILE A 82 18.508 7.777 4.401 1.00 1.00 H new ATOM 0 HD13 ILE A 82 17.184 6.996 3.504 1.00 1.00 H new ATOM 282 N THR A 83 20.837 5.974 1.472 1.00 1.00 N ATOM 283 CA THR A 83 21.145 6.532 0.166 1.00 1.00 C ATOM 284 C THR A 83 19.917 6.468 -0.744 1.00 1.00 C ATOM 285 O THR A 83 18.986 5.707 -0.485 1.00 1.00 O ATOM 286 CB THR A 83 22.356 5.785 -0.394 1.00 1.00 C ATOM 287 OG1 THR A 83 23.295 5.792 0.677 1.00 1.00 O ATOM 288 CG2 THR A 83 23.058 6.561 -1.510 1.00 1.00 C ATOM 0 H THR A 83 20.571 4.989 1.463 1.00 1.00 H new ATOM 0 HA THR A 83 21.402 7.589 0.238 1.00 1.00 H new ATOM 0 HB THR A 83 22.039 4.813 -0.772 1.00 1.00 H new ATOM 0 HG1 THR A 83 24.111 5.326 0.400 1.00 1.00 H new ATOM 0 HG21 THR A 83 23.910 5.986 -1.872 1.00 1.00 H new ATOM 0 HG22 THR A 83 22.360 6.731 -2.330 1.00 1.00 H new ATOM 0 HG23 THR A 83 23.404 7.520 -1.124 1.00 1.00 H new ATOM 296 N LYS A 84 19.954 7.278 -1.792 1.00 1.00 N ATOM 297 CA LYS A 84 18.856 7.323 -2.743 1.00 1.00 C ATOM 298 C LYS A 84 18.909 6.083 -3.636 1.00 1.00 C ATOM 299 O LYS A 84 19.869 5.316 -3.583 1.00 1.00 O ATOM 300 CB LYS A 84 18.873 8.642 -3.519 1.00 1.00 C ATOM 301 CG LYS A 84 20.282 8.965 -4.019 1.00 1.00 C ATOM 302 CD LYS A 84 20.986 9.947 -3.080 1.00 1.00 C ATOM 303 CE LYS A 84 21.552 11.138 -3.856 1.00 1.00 C ATOM 304 NZ LYS A 84 20.487 12.127 -4.136 1.00 1.00 N ATOM 0 H LYS A 84 20.727 7.909 -2.004 1.00 1.00 H new ATOM 0 HA LYS A 84 17.899 7.299 -2.222 1.00 1.00 H new ATOM 0 HB2 LYS A 84 18.188 8.579 -4.365 1.00 1.00 H new ATOM 0 HB3 LYS A 84 18.516 9.449 -2.879 1.00 1.00 H new ATOM 0 HG2 LYS A 84 20.865 8.047 -4.094 1.00 1.00 H new ATOM 0 HG3 LYS A 84 20.227 9.390 -5.021 1.00 1.00 H new ATOM 0 HD2 LYS A 84 20.284 10.301 -2.325 1.00 1.00 H new ATOM 0 HD3 LYS A 84 21.791 9.437 -2.552 1.00 1.00 H new ATOM 0 HE2 LYS A 84 22.351 11.607 -3.282 1.00 1.00 H new ATOM 0 HE3 LYS A 84 21.992 10.794 -4.792 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 20.888 12.929 -4.663 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 19.738 11.680 -4.703 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 20.086 12.468 -3.239 1.00 1.00 H new ATOM 318 N GLY A 85 17.866 5.924 -4.437 1.00 1.00 N ATOM 319 CA GLY A 85 17.782 4.790 -5.341 1.00 1.00 C ATOM 320 C GLY A 85 18.289 3.513 -4.668 1.00 1.00 C ATOM 321 O GLY A 85 18.780 2.607 -5.338 1.00 1.00 O ATOM 0 H GLY A 85 17.071 6.562 -4.479 1.00 1.00 H new ATOM 0 HA2 GLY A 85 16.749 4.651 -5.661 1.00 1.00 H new ATOM 0 HA3 GLY A 85 18.369 4.991 -6.237 1.00 1.00 H new ATOM 325 N GLU A 86 18.152 3.483 -3.350 1.00 1.00 N ATOM 326 CA GLU A 86 18.590 2.332 -2.579 1.00 1.00 C ATOM 327 C GLU A 86 17.390 1.638 -1.933 1.00 1.00 C ATOM 328 O GLU A 86 16.247 2.042 -2.143 1.00 1.00 O ATOM 329 CB GLU A 86 19.621 2.740 -1.524 1.00 1.00 C ATOM 330 CG GLU A 86 20.798 1.763 -1.501 1.00 1.00 C ATOM 331 CD GLU A 86 21.749 2.023 -2.671 1.00 1.00 C ATOM 332 OE1 GLU A 86 21.239 2.438 -3.735 1.00 1.00 O ATOM 333 OE2 GLU A 86 22.963 1.801 -2.476 1.00 1.00 O ATOM 0 H GLU A 86 17.744 4.237 -2.797 1.00 1.00 H new ATOM 0 HA GLU A 86 19.071 1.627 -3.257 1.00 1.00 H new ATOM 0 HB2 GLU A 86 19.983 3.746 -1.734 1.00 1.00 H new ATOM 0 HB3 GLU A 86 19.149 2.770 -0.542 1.00 1.00 H new ATOM 0 HG2 GLU A 86 21.339 1.861 -0.560 1.00 1.00 H new ATOM 0 HG3 GLU A 86 20.427 0.739 -1.550 1.00 1.00 H new ATOM 340 N LYS A 87 17.690 0.604 -1.161 1.00 1.00 N ATOM 341 CA LYS A 87 16.649 -0.150 -0.483 1.00 1.00 C ATOM 342 C LYS A 87 15.997 0.732 0.583 1.00 1.00 C ATOM 343 O LYS A 87 16.346 0.650 1.760 1.00 1.00 O ATOM 344 CB LYS A 87 17.210 -1.464 0.065 1.00 1.00 C ATOM 345 CG LYS A 87 18.327 -2.000 -0.833 1.00 1.00 C ATOM 346 CD LYS A 87 19.702 -1.732 -0.217 1.00 1.00 C ATOM 347 CE LYS A 87 20.796 -1.758 -1.286 1.00 1.00 C ATOM 348 NZ LYS A 87 22.038 -1.138 -0.772 1.00 1.00 N ATOM 0 H LYS A 87 18.639 0.271 -0.990 1.00 1.00 H new ATOM 0 HA LYS A 87 15.865 -0.433 -1.186 1.00 1.00 H new ATOM 0 HB2 LYS A 87 17.593 -1.308 1.074 1.00 1.00 H new ATOM 0 HB3 LYS A 87 16.411 -2.202 0.138 1.00 1.00 H new ATOM 0 HG2 LYS A 87 18.195 -3.071 -0.984 1.00 1.00 H new ATOM 0 HG3 LYS A 87 18.266 -1.530 -1.815 1.00 1.00 H new ATOM 0 HD2 LYS A 87 19.699 -0.763 0.281 1.00 1.00 H new ATOM 0 HD3 LYS A 87 19.915 -2.481 0.545 1.00 1.00 H new ATOM 0 HE2 LYS A 87 20.994 -2.787 -1.587 1.00 1.00 H new ATOM 0 HE3 LYS A 87 20.457 -1.225 -2.174 1.00 1.00 H new ATOM 0 HZ1 LYS A 87 22.602 -0.779 -1.568 1.00 1.00 H new ATOM 0 HZ2 LYS A 87 21.796 -0.351 -0.136 1.00 1.00 H new ATOM 0 HZ3 LYS A 87 22.590 -1.848 -0.250 1.00 1.00 H new ATOM 362 N LEU A 88 15.063 1.556 0.133 1.00 1.00 N ATOM 363 CA LEU A 88 14.359 2.453 1.034 1.00 1.00 C ATOM 364 C LEU A 88 12.851 2.272 0.852 1.00 1.00 C ATOM 365 O LEU A 88 12.237 2.944 0.025 1.00 1.00 O ATOM 366 CB LEU A 88 14.834 3.894 0.835 1.00 1.00 C ATOM 367 CG LEU A 88 15.867 4.405 1.842 1.00 1.00 C ATOM 368 CD1 LEU A 88 17.178 4.771 1.145 1.00 1.00 C ATOM 369 CD2 LEU A 88 15.306 5.571 2.658 1.00 1.00 C ATOM 0 H LEU A 88 14.777 1.622 -0.844 1.00 1.00 H new ATOM 0 HA LEU A 88 14.587 2.207 2.071 1.00 1.00 H new ATOM 0 HB2 LEU A 88 15.257 3.981 -0.166 1.00 1.00 H new ATOM 0 HB3 LEU A 88 13.965 4.550 0.872 1.00 1.00 H new ATOM 0 HG LEU A 88 16.089 3.600 2.542 1.00 1.00 H new ATOM 0 HD11 LEU A 88 17.894 5.131 1.883 1.00 1.00 H new ATOM 0 HD12 LEU A 88 17.583 3.891 0.646 1.00 1.00 H new ATOM 0 HD13 LEU A 88 16.992 5.553 0.408 1.00 1.00 H new ATOM 0 HD21 LEU A 88 16.060 5.915 3.366 1.00 1.00 H new ATOM 0 HD22 LEU A 88 15.037 6.388 1.988 1.00 1.00 H new ATOM 0 HD23 LEU A 88 14.421 5.242 3.202 1.00 1.00 H new ATOM 381 N ARG A 89 12.297 1.361 1.638 1.00 1.00 N ATOM 382 CA ARG A 89 10.872 1.083 1.574 1.00 1.00 C ATOM 383 C ARG A 89 10.217 1.353 2.930 1.00 1.00 C ATOM 384 O ARG A 89 10.670 0.845 3.954 1.00 1.00 O ATOM 385 CB ARG A 89 10.612 -0.370 1.169 1.00 1.00 C ATOM 386 CG ARG A 89 11.777 -0.927 0.349 1.00 1.00 C ATOM 387 CD ARG A 89 11.274 -1.872 -0.744 1.00 1.00 C ATOM 388 NE ARG A 89 11.604 -3.272 -0.394 1.00 1.00 N ATOM 389 CZ ARG A 89 12.835 -3.795 -0.469 1.00 1.00 C ATOM 390 NH1 ARG A 89 13.861 -3.037 -0.882 1.00 1.00 N ATOM 391 NH2 ARG A 89 13.042 -5.075 -0.132 1.00 1.00 N ATOM 0 H ARG A 89 12.809 0.805 2.323 1.00 1.00 H new ATOM 0 HA ARG A 89 10.439 1.741 0.821 1.00 1.00 H new ATOM 0 HB2 ARG A 89 10.466 -0.979 2.061 1.00 1.00 H new ATOM 0 HB3 ARG A 89 9.692 -0.430 0.588 1.00 1.00 H new ATOM 0 HG2 ARG A 89 12.334 -0.106 -0.103 1.00 1.00 H new ATOM 0 HG3 ARG A 89 12.467 -1.458 1.005 1.00 1.00 H new ATOM 0 HD2 ARG A 89 10.196 -1.763 -0.863 1.00 1.00 H new ATOM 0 HD3 ARG A 89 11.728 -1.611 -1.700 1.00 1.00 H new ATOM 0 HE ARG A 89 10.846 -3.876 -0.076 1.00 1.00 H new ATOM 0 HH11 ARG A 89 13.704 -2.062 -1.139 1.00 1.00 H new ATOM 0 HH12 ARG A 89 14.798 -3.435 -0.939 1.00 1.00 H new ATOM 0 HH21 ARG A 89 12.262 -5.652 0.182 1.00 1.00 H new ATOM 0 HH22 ARG A 89 13.980 -5.472 -0.189 1.00 1.00 H new ATOM 405 N VAL A 90 9.161 2.152 2.892 1.00 1.00 N ATOM 406 CA VAL A 90 8.439 2.496 4.105 1.00 1.00 C ATOM 407 C VAL A 90 7.666 1.270 4.598 1.00 1.00 C ATOM 408 O VAL A 90 7.160 0.487 3.795 1.00 1.00 O ATOM 409 CB VAL A 90 7.540 3.708 3.854 1.00 1.00 C ATOM 410 CG1 VAL A 90 6.488 3.849 4.956 1.00 1.00 C ATOM 411 CG2 VAL A 90 8.370 4.987 3.721 1.00 1.00 C ATOM 0 H VAL A 90 8.788 2.571 2.040 1.00 1.00 H new ATOM 0 HA VAL A 90 9.134 2.782 4.895 1.00 1.00 H new ATOM 0 HB VAL A 90 7.017 3.548 2.911 1.00 1.00 H new ATOM 0 HG11 VAL A 90 5.863 4.718 4.753 1.00 1.00 H new ATOM 0 HG12 VAL A 90 5.867 2.954 4.983 1.00 1.00 H new ATOM 0 HG13 VAL A 90 6.984 3.976 5.918 1.00 1.00 H new ATOM 0 HG21 VAL A 90 7.707 5.834 3.543 1.00 1.00 H new ATOM 0 HG22 VAL A 90 8.932 5.153 4.640 1.00 1.00 H new ATOM 0 HG23 VAL A 90 9.062 4.886 2.885 1.00 1.00 H new ATOM 421 N LEU A 91 7.598 1.143 5.915 1.00 1.00 N ATOM 422 CA LEU A 91 6.895 0.027 6.524 1.00 1.00 C ATOM 423 C LEU A 91 5.726 0.558 7.355 1.00 1.00 C ATOM 424 O LEU A 91 4.634 -0.008 7.331 1.00 1.00 O ATOM 425 CB LEU A 91 7.866 -0.849 7.318 1.00 1.00 C ATOM 426 CG LEU A 91 8.227 -2.194 6.685 1.00 1.00 C ATOM 427 CD1 LEU A 91 9.161 -2.995 7.595 1.00 1.00 C ATOM 428 CD2 LEU A 91 6.968 -2.983 6.319 1.00 1.00 C ATOM 0 H LEU A 91 8.018 1.795 6.577 1.00 1.00 H new ATOM 0 HA LEU A 91 6.472 -0.621 5.756 1.00 1.00 H new ATOM 0 HB2 LEU A 91 8.786 -0.286 7.476 1.00 1.00 H new ATOM 0 HB3 LEU A 91 7.434 -1.037 8.301 1.00 1.00 H new ATOM 0 HG LEU A 91 8.767 -2.001 5.758 1.00 1.00 H new ATOM 0 HD11 LEU A 91 9.402 -3.947 7.122 1.00 1.00 H new ATOM 0 HD12 LEU A 91 10.078 -2.430 7.763 1.00 1.00 H new ATOM 0 HD13 LEU A 91 8.669 -3.179 8.550 1.00 1.00 H new ATOM 0 HD21 LEU A 91 7.253 -3.935 5.871 1.00 1.00 H new ATOM 0 HD22 LEU A 91 6.380 -3.167 7.218 1.00 1.00 H new ATOM 0 HD23 LEU A 91 6.374 -2.410 5.607 1.00 1.00 H new ATOM 440 N GLY A 92 5.993 1.641 8.070 1.00 1.00 N ATOM 441 CA GLY A 92 4.977 2.255 8.907 1.00 1.00 C ATOM 442 C GLY A 92 4.834 3.746 8.592 1.00 1.00 C ATOM 443 O GLY A 92 5.649 4.311 7.865 1.00 1.00 O ATOM 0 H GLY A 92 6.899 2.109 8.087 1.00 1.00 H new ATOM 0 HA2 GLY A 92 4.022 1.754 8.752 1.00 1.00 H new ATOM 0 HA3 GLY A 92 5.239 2.125 9.957 1.00 1.00 H new ATOM 447 N TYR A 93 3.793 4.340 9.155 1.00 1.00 N ATOM 448 CA TYR A 93 3.533 5.754 8.944 1.00 1.00 C ATOM 449 C TYR A 93 3.205 6.455 10.264 1.00 1.00 C ATOM 450 O TYR A 93 3.109 5.809 11.306 1.00 1.00 O ATOM 451 CB TYR A 93 2.312 5.825 8.025 1.00 1.00 C ATOM 452 CG TYR A 93 2.654 5.834 6.534 1.00 1.00 C ATOM 453 CD1 TYR A 93 3.128 4.688 5.928 1.00 1.00 C ATOM 454 CD2 TYR A 93 2.489 6.988 5.795 1.00 1.00 C ATOM 455 CE1 TYR A 93 3.451 4.697 4.524 1.00 1.00 C ATOM 456 CE2 TYR A 93 2.812 6.997 4.392 1.00 1.00 C ATOM 457 CZ TYR A 93 3.277 5.851 3.826 1.00 1.00 C ATOM 458 OH TYR A 93 3.581 5.859 2.500 1.00 1.00 O ATOM 0 H TYR A 93 3.119 3.868 9.758 1.00 1.00 H new ATOM 0 HA TYR A 93 4.407 6.245 8.517 1.00 1.00 H new ATOM 0 HB2 TYR A 93 1.664 4.974 8.233 1.00 1.00 H new ATOM 0 HB3 TYR A 93 1.744 6.724 8.262 1.00 1.00 H new ATOM 0 HD1 TYR A 93 3.257 3.785 6.506 1.00 1.00 H new ATOM 0 HD2 TYR A 93 2.118 7.884 6.269 1.00 1.00 H new ATOM 0 HE1 TYR A 93 3.823 3.808 4.037 1.00 1.00 H new ATOM 0 HE2 TYR A 93 2.688 7.893 3.802 1.00 1.00 H new ATOM 0 HH TYR A 93 3.390 4.978 2.115 1.00 1.00 H new ATOM 468 N ASN A 94 3.042 7.766 10.175 1.00 1.00 N ATOM 469 CA ASN A 94 2.726 8.562 11.350 1.00 1.00 C ATOM 470 C ASN A 94 1.242 8.403 11.684 1.00 1.00 C ATOM 471 O ASN A 94 0.869 7.535 12.472 1.00 1.00 O ATOM 472 CB ASN A 94 2.998 10.046 11.099 1.00 1.00 C ATOM 473 CG ASN A 94 4.332 10.472 11.716 1.00 1.00 C ATOM 474 OD1 ASN A 94 4.928 9.768 12.515 1.00 1.00 O ATOM 475 ND2 ASN A 94 4.766 11.659 11.302 1.00 1.00 N ATOM 0 H ASN A 94 3.123 8.298 9.308 1.00 1.00 H new ATOM 0 HA ASN A 94 3.353 8.215 12.171 1.00 1.00 H new ATOM 0 HB2 ASN A 94 3.011 10.241 10.027 1.00 1.00 H new ATOM 0 HB3 ASN A 94 2.191 10.644 11.522 1.00 1.00 H new ATOM 0 HD21 ASN A 94 5.647 12.031 11.655 1.00 1.00 H new ATOM 0 HD22 ASN A 94 4.217 12.197 10.631 1.00 1.00 H new ATOM 482 N HIS A 95 0.435 9.255 11.069 1.00 1.00 N ATOM 483 CA HIS A 95 -1.000 9.221 11.292 1.00 1.00 C ATOM 484 C HIS A 95 -1.626 10.533 10.815 1.00 1.00 C ATOM 485 O HIS A 95 -2.540 11.056 11.450 1.00 1.00 O ATOM 486 CB HIS A 95 -1.316 8.912 12.757 1.00 1.00 C ATOM 487 CG HIS A 95 -1.741 7.484 13.006 1.00 1.00 C ATOM 488 ND1 HIS A 95 -2.585 7.123 14.042 1.00 1.00 N ATOM 489 CD2 HIS A 95 -1.432 6.333 12.342 1.00 1.00 C ATOM 490 CE1 HIS A 95 -2.767 5.812 13.995 1.00 1.00 C ATOM 491 NE2 HIS A 95 -2.052 5.324 12.941 1.00 1.00 N ATOM 0 H HIS A 95 0.748 9.973 10.416 1.00 1.00 H new ATOM 0 HA HIS A 95 -1.442 8.414 10.707 1.00 1.00 H new ATOM 0 HB2 HIS A 95 -0.435 9.129 13.361 1.00 1.00 H new ATOM 0 HB3 HIS A 95 -2.108 9.580 13.096 1.00 1.00 H new ATOM 0 HD2 HIS A 95 -0.792 6.256 11.476 1.00 1.00 H new ATOM 0 HE1 HIS A 95 -3.375 5.231 14.673 1.00 1.00 H new ATOM 0 HE2 HIS A 95 -2.002 4.345 12.660 1.00 1.00 H new ATOM 499 N ASN A 96 -1.108 11.028 9.700 1.00 1.00 N ATOM 500 CA ASN A 96 -1.604 12.269 9.131 1.00 1.00 C ATOM 501 C ASN A 96 -0.730 12.663 7.938 1.00 1.00 C ATOM 502 O ASN A 96 -0.432 13.841 7.745 1.00 1.00 O ATOM 503 CB ASN A 96 -1.548 13.405 10.154 1.00 1.00 C ATOM 504 CG ASN A 96 -2.567 14.496 9.818 1.00 1.00 C ATOM 505 OD1 ASN A 96 -3.739 14.408 10.146 1.00 1.00 O ATOM 506 ND2 ASN A 96 -2.057 15.525 9.148 1.00 1.00 N ATOM 0 H ASN A 96 -0.350 10.592 9.176 1.00 1.00 H new ATOM 0 HA ASN A 96 -2.638 12.110 8.825 1.00 1.00 H new ATOM 0 HB2 ASN A 96 -1.747 13.012 11.151 1.00 1.00 H new ATOM 0 HB3 ASN A 96 -0.545 13.832 10.174 1.00 1.00 H new ATOM 0 HD21 ASN A 96 -2.656 16.305 8.877 1.00 1.00 H new ATOM 0 HD22 ASN A 96 -1.066 15.535 8.905 1.00 1.00 H new ATOM 513 N GLY A 97 -0.343 11.655 7.170 1.00 1.00 N ATOM 514 CA GLY A 97 0.491 11.882 6.002 1.00 1.00 C ATOM 515 C GLY A 97 1.558 12.940 6.287 1.00 1.00 C ATOM 516 O GLY A 97 1.575 13.996 5.656 1.00 1.00 O ATOM 0 H GLY A 97 -0.592 10.679 7.334 1.00 1.00 H new ATOM 0 HA2 GLY A 97 0.970 10.949 5.706 1.00 1.00 H new ATOM 0 HA3 GLY A 97 -0.129 12.202 5.165 1.00 1.00 H new ATOM 520 N GLU A 98 2.423 12.621 7.239 1.00 1.00 N ATOM 521 CA GLU A 98 3.491 13.531 7.616 1.00 1.00 C ATOM 522 C GLU A 98 4.854 12.877 7.379 1.00 1.00 C ATOM 523 O GLU A 98 5.592 13.279 6.481 1.00 1.00 O ATOM 524 CB GLU A 98 3.343 13.978 9.071 1.00 1.00 C ATOM 525 CG GLU A 98 2.864 15.429 9.153 1.00 1.00 C ATOM 526 CD GLU A 98 3.495 16.148 10.347 1.00 1.00 C ATOM 527 OE1 GLU A 98 4.744 16.163 10.406 1.00 1.00 O ATOM 528 OE2 GLU A 98 2.715 16.667 11.175 1.00 1.00 O ATOM 0 H GLU A 98 2.406 11.745 7.761 1.00 1.00 H new ATOM 0 HA GLU A 98 3.422 14.420 6.989 1.00 1.00 H new ATOM 0 HB2 GLU A 98 2.635 13.328 9.585 1.00 1.00 H new ATOM 0 HB3 GLU A 98 4.299 13.877 9.585 1.00 1.00 H new ATOM 0 HG2 GLU A 98 3.120 15.953 8.232 1.00 1.00 H new ATOM 0 HG3 GLU A 98 1.778 15.453 9.242 1.00 1.00 H new ATOM 535 N TRP A 99 5.147 11.880 8.201 1.00 1.00 N ATOM 536 CA TRP A 99 6.407 11.166 8.093 1.00 1.00 C ATOM 537 C TRP A 99 6.098 9.670 8.011 1.00 1.00 C ATOM 538 O TRP A 99 4.989 9.243 8.328 1.00 1.00 O ATOM 539 CB TRP A 99 7.340 11.521 9.253 1.00 1.00 C ATOM 540 CG TRP A 99 7.990 12.901 9.129 1.00 1.00 C ATOM 541 CD1 TRP A 99 7.385 14.087 8.981 1.00 1.00 C ATOM 542 CD2 TRP A 99 9.403 13.190 9.148 1.00 1.00 C ATOM 543 NE1 TRP A 99 8.301 15.116 8.903 1.00 1.00 N ATOM 544 CE2 TRP A 99 9.568 14.553 9.008 1.00 1.00 C ATOM 545 CE3 TRP A 99 10.507 12.329 9.279 1.00 1.00 C ATOM 546 CZ2 TRP A 99 10.822 15.176 8.986 1.00 1.00 C ATOM 547 CZ3 TRP A 99 11.753 12.967 9.255 1.00 1.00 C ATOM 548 CH2 TRP A 99 11.936 14.337 9.115 1.00 1.00 C ATOM 0 H TRP A 99 4.533 11.550 8.945 1.00 1.00 H new ATOM 0 HA TRP A 99 6.941 11.461 7.190 1.00 1.00 H new ATOM 0 HB2 TRP A 99 6.776 11.479 10.185 1.00 1.00 H new ATOM 0 HB3 TRP A 99 8.124 10.766 9.320 1.00 1.00 H new ATOM 0 HD1 TRP A 99 6.315 14.221 8.929 1.00 1.00 H new ATOM 0 HE1 TRP A 99 8.088 16.107 8.789 1.00 1.00 H new ATOM 0 HE3 TRP A 99 10.402 11.260 9.389 1.00 1.00 H new ATOM 0 HZ2 TRP A 99 10.925 16.245 8.876 1.00 1.00 H new ATOM 0 HZ3 TRP A 99 12.634 12.350 9.352 1.00 1.00 H new ATOM 0 HH2 TRP A 99 12.933 14.753 9.106 1.00 1.00 H new ATOM 559 N CYS A 100 7.099 8.914 7.585 1.00 1.00 N ATOM 560 CA CYS A 100 6.948 7.474 7.457 1.00 1.00 C ATOM 561 C CYS A 100 8.205 6.808 8.022 1.00 1.00 C ATOM 562 O CYS A 100 9.322 7.180 7.667 1.00 1.00 O ATOM 563 CB CYS A 100 6.684 7.059 6.009 1.00 1.00 C ATOM 564 SG CYS A 100 5.377 8.115 5.284 1.00 1.00 S ATOM 0 H CYS A 100 8.018 9.271 7.324 1.00 1.00 H new ATOM 0 HA CYS A 100 6.077 7.145 8.024 1.00 1.00 H new ATOM 0 HB2 CYS A 100 7.600 7.146 5.424 1.00 1.00 H new ATOM 0 HB3 CYS A 100 6.380 6.013 5.971 1.00 1.00 H new ATOM 0 HG CYS A 100 4.285 7.423 5.150 1.00 1.00 H new ATOM 570 N GLU A 101 7.979 5.833 8.891 1.00 1.00 N ATOM 571 CA GLU A 101 9.079 5.111 9.507 1.00 1.00 C ATOM 572 C GLU A 101 9.621 4.049 8.549 1.00 1.00 C ATOM 573 O GLU A 101 8.851 3.312 7.934 1.00 1.00 O ATOM 574 CB GLU A 101 8.647 4.483 10.834 1.00 1.00 C ATOM 575 CG GLU A 101 9.862 4.088 11.675 1.00 1.00 C ATOM 576 CD GLU A 101 9.462 3.137 12.804 1.00 1.00 C ATOM 577 OE1 GLU A 101 8.357 3.341 13.354 1.00 1.00 O ATOM 578 OE2 GLU A 101 10.269 2.227 13.093 1.00 1.00 O ATOM 0 H GLU A 101 7.051 5.527 9.183 1.00 1.00 H new ATOM 0 HA GLU A 101 9.879 5.820 9.721 1.00 1.00 H new ATOM 0 HB2 GLU A 101 8.029 5.188 11.390 1.00 1.00 H new ATOM 0 HB3 GLU A 101 8.032 3.604 10.641 1.00 1.00 H new ATOM 0 HG2 GLU A 101 10.608 3.611 11.040 1.00 1.00 H new ATOM 0 HG3 GLU A 101 10.325 4.982 12.094 1.00 1.00 H new ATOM 585 N ALA A 102 10.941 4.005 8.450 1.00 1.00 N ATOM 586 CA ALA A 102 11.595 3.046 7.576 1.00 1.00 C ATOM 587 C ALA A 102 12.731 2.360 8.338 1.00 1.00 C ATOM 588 O ALA A 102 13.211 2.880 9.345 1.00 1.00 O ATOM 589 CB ALA A 102 12.086 3.757 6.314 1.00 1.00 C ATOM 0 H ALA A 102 11.576 4.618 8.961 1.00 1.00 H new ATOM 0 HA ALA A 102 10.894 2.273 7.262 1.00 1.00 H new ATOM 0 HB1 ALA A 102 12.577 3.037 5.659 1.00 1.00 H new ATOM 0 HB2 ALA A 102 11.238 4.202 5.794 1.00 1.00 H new ATOM 0 HB3 ALA A 102 12.794 4.539 6.589 1.00 1.00 H new ATOM 595 N GLN A 103 13.128 1.203 7.829 1.00 1.00 N ATOM 596 CA GLN A 103 14.198 0.441 8.450 1.00 1.00 C ATOM 597 C GLN A 103 15.314 0.174 7.438 1.00 1.00 C ATOM 598 O GLN A 103 15.062 0.092 6.237 1.00 1.00 O ATOM 599 CB GLN A 103 13.668 -0.868 9.040 1.00 1.00 C ATOM 600 CG GLN A 103 12.499 -0.607 9.991 1.00 1.00 C ATOM 601 CD GLN A 103 11.259 -1.395 9.564 1.00 1.00 C ATOM 602 OE1 GLN A 103 10.592 -1.075 8.593 1.00 1.00 O ATOM 603 NE2 GLN A 103 10.987 -2.439 10.342 1.00 1.00 N ATOM 0 H GLN A 103 12.728 0.775 6.994 1.00 1.00 H new ATOM 0 HA GLN A 103 14.610 1.030 9.270 1.00 1.00 H new ATOM 0 HB2 GLN A 103 13.346 -1.530 8.236 1.00 1.00 H new ATOM 0 HB3 GLN A 103 14.468 -1.381 9.574 1.00 1.00 H new ATOM 0 HG2 GLN A 103 12.781 -0.888 11.006 1.00 1.00 H new ATOM 0 HG3 GLN A 103 12.270 0.458 10.007 1.00 1.00 H new ATOM 0 HE21 GLN A 103 11.587 -2.651 11.139 1.00 1.00 H new ATOM 0 HE22 GLN A 103 10.179 -3.028 10.141 1.00 1.00 H new ATOM 612 N THR A 104 16.525 0.045 7.961 1.00 1.00 N ATOM 613 CA THR A 104 17.681 -0.212 7.119 1.00 1.00 C ATOM 614 C THR A 104 18.114 -1.674 7.238 1.00 1.00 C ATOM 615 O THR A 104 18.010 -2.271 8.309 1.00 1.00 O ATOM 616 CB THR A 104 18.778 0.781 7.508 1.00 1.00 C ATOM 617 OG1 THR A 104 18.541 1.908 6.668 1.00 1.00 O ATOM 618 CG2 THR A 104 20.173 0.300 7.101 1.00 1.00 C ATOM 0 H THR A 104 16.730 0.114 8.958 1.00 1.00 H new ATOM 0 HA THR A 104 17.445 -0.062 6.066 1.00 1.00 H new ATOM 0 HB THR A 104 18.751 0.949 8.585 1.00 1.00 H new ATOM 0 HG1 THR A 104 17.576 2.056 6.584 1.00 1.00 H new ATOM 0 HG21 THR A 104 20.915 1.041 7.400 1.00 1.00 H new ATOM 0 HG22 THR A 104 20.389 -0.648 7.593 1.00 1.00 H new ATOM 0 HG23 THR A 104 20.210 0.165 6.020 1.00 1.00 H new ATOM 626 N LYS A 105 18.590 -2.210 6.123 1.00 1.00 N ATOM 627 CA LYS A 105 19.039 -3.591 6.089 1.00 1.00 C ATOM 628 C LYS A 105 19.791 -3.910 7.383 1.00 1.00 C ATOM 629 O LYS A 105 19.732 -5.034 7.878 1.00 1.00 O ATOM 630 CB LYS A 105 19.854 -3.858 4.822 1.00 1.00 C ATOM 631 CG LYS A 105 21.112 -2.987 4.786 1.00 1.00 C ATOM 632 CD LYS A 105 21.005 -1.915 3.699 1.00 1.00 C ATOM 633 CE LYS A 105 21.835 -0.682 4.062 1.00 1.00 C ATOM 634 NZ LYS A 105 21.403 0.487 3.264 1.00 1.00 N ATOM 0 H LYS A 105 18.674 -1.712 5.237 1.00 1.00 H new ATOM 0 HA LYS A 105 18.186 -4.268 6.040 1.00 1.00 H new ATOM 0 HB2 LYS A 105 20.135 -4.910 4.781 1.00 1.00 H new ATOM 0 HB3 LYS A 105 19.242 -3.656 3.943 1.00 1.00 H new ATOM 0 HG2 LYS A 105 21.258 -2.513 5.756 1.00 1.00 H new ATOM 0 HG3 LYS A 105 21.986 -3.612 4.601 1.00 1.00 H new ATOM 0 HD2 LYS A 105 21.348 -2.321 2.747 1.00 1.00 H new ATOM 0 HD3 LYS A 105 19.962 -1.629 3.566 1.00 1.00 H new ATOM 0 HE2 LYS A 105 21.728 -0.464 5.125 1.00 1.00 H new ATOM 0 HE3 LYS A 105 22.891 -0.882 3.883 1.00 1.00 H new ATOM 0 HZ1 LYS A 105 21.976 1.315 3.523 1.00 1.00 H new ATOM 0 HZ2 LYS A 105 21.528 0.282 2.252 1.00 1.00 H new ATOM 0 HZ3 LYS A 105 20.400 0.687 3.455 1.00 1.00 H new ATOM 648 N ASN A 106 20.481 -2.901 7.893 1.00 1.00 N ATOM 649 CA ASN A 106 21.244 -3.060 9.120 1.00 1.00 C ATOM 650 C ASN A 106 21.151 -1.774 9.943 1.00 1.00 C ATOM 651 O ASN A 106 22.170 -1.168 10.273 1.00 1.00 O ATOM 652 CB ASN A 106 22.721 -3.323 8.820 1.00 1.00 C ATOM 653 CG ASN A 106 22.994 -4.823 8.687 1.00 1.00 C ATOM 654 OD1 ASN A 106 22.433 -5.647 9.390 1.00 1.00 O ATOM 655 ND2 ASN A 106 23.885 -5.129 7.748 1.00 1.00 N ATOM 0 H ASN A 106 20.528 -1.970 7.479 1.00 1.00 H new ATOM 0 HA ASN A 106 20.831 -3.907 9.667 1.00 1.00 H new ATOM 0 HB2 ASN A 106 23.005 -2.815 7.898 1.00 1.00 H new ATOM 0 HB3 ASN A 106 23.338 -2.907 9.617 1.00 1.00 H new ATOM 0 HD21 ASN A 106 24.136 -6.103 7.581 1.00 1.00 H new ATOM 0 HD22 ASN A 106 24.317 -4.389 7.195 1.00 1.00 H new ATOM 662 N GLY A 107 19.920 -1.394 10.252 1.00 1.00 N ATOM 663 CA GLY A 107 19.681 -0.191 11.031 1.00 1.00 C ATOM 664 C GLY A 107 18.202 0.199 10.997 1.00 1.00 C ATOM 665 O GLY A 107 17.394 -0.470 10.355 1.00 1.00 O ATOM 0 H GLY A 107 19.077 -1.898 9.977 1.00 1.00 H new ATOM 0 HA2 GLY A 107 19.994 -0.353 12.062 1.00 1.00 H new ATOM 0 HA3 GLY A 107 20.286 0.627 10.639 1.00 1.00 H new ATOM 669 N GLN A 108 17.892 1.280 11.697 1.00 1.00 N ATOM 670 CA GLN A 108 16.524 1.768 11.756 1.00 1.00 C ATOM 671 C GLN A 108 16.509 3.286 11.941 1.00 1.00 C ATOM 672 O GLN A 108 17.524 3.881 12.300 1.00 1.00 O ATOM 673 CB GLN A 108 15.741 1.071 12.870 1.00 1.00 C ATOM 674 CG GLN A 108 14.878 -0.061 12.309 1.00 1.00 C ATOM 675 CD GLN A 108 14.988 -1.316 13.178 1.00 1.00 C ATOM 676 OE1 GLN A 108 15.623 -1.328 14.220 1.00 1.00 O ATOM 677 NE2 GLN A 108 14.336 -2.369 12.692 1.00 1.00 N ATOM 0 H GLN A 108 18.565 1.832 12.229 1.00 1.00 H new ATOM 0 HA GLN A 108 16.034 1.533 10.811 1.00 1.00 H new ATOM 0 HB2 GLN A 108 16.434 0.672 13.611 1.00 1.00 H new ATOM 0 HB3 GLN A 108 15.108 1.796 13.383 1.00 1.00 H new ATOM 0 HG2 GLN A 108 13.838 0.261 12.258 1.00 1.00 H new ATOM 0 HG3 GLN A 108 15.191 -0.291 11.290 1.00 1.00 H new ATOM 0 HE21 GLN A 108 13.824 -2.291 11.814 1.00 1.00 H new ATOM 0 HE22 GLN A 108 14.349 -3.255 13.198 1.00 1.00 H new ATOM 686 N GLY A 109 15.347 3.870 11.689 1.00 1.00 N ATOM 687 CA GLY A 109 15.186 5.307 11.823 1.00 1.00 C ATOM 688 C GLY A 109 13.886 5.778 11.167 1.00 1.00 C ATOM 689 O GLY A 109 13.153 4.977 10.589 1.00 1.00 O ATOM 0 H GLY A 109 14.507 3.373 11.392 1.00 1.00 H new ATOM 0 HA2 GLY A 109 15.184 5.579 12.878 1.00 1.00 H new ATOM 0 HA3 GLY A 109 16.034 5.816 11.364 1.00 1.00 H new ATOM 693 N TRP A 110 13.641 7.075 11.278 1.00 1.00 N ATOM 694 CA TRP A 110 12.442 7.662 10.703 1.00 1.00 C ATOM 695 C TRP A 110 12.854 8.455 9.461 1.00 1.00 C ATOM 696 O TRP A 110 14.025 8.792 9.295 1.00 1.00 O ATOM 697 CB TRP A 110 11.698 8.511 11.735 1.00 1.00 C ATOM 698 CG TRP A 110 10.521 7.793 12.399 1.00 1.00 C ATOM 699 CD1 TRP A 110 10.555 6.912 13.409 1.00 1.00 C ATOM 700 CD2 TRP A 110 9.126 7.931 12.057 1.00 1.00 C ATOM 701 NE1 TRP A 110 9.289 6.475 13.741 1.00 1.00 N ATOM 702 CE2 TRP A 110 8.392 7.114 12.893 1.00 1.00 C ATOM 703 CE3 TRP A 110 8.504 8.720 11.073 1.00 1.00 C ATOM 704 CZ2 TRP A 110 6.998 7.007 12.830 1.00 1.00 C ATOM 705 CZ3 TRP A 110 7.110 8.602 11.024 1.00 1.00 C ATOM 706 CH2 TRP A 110 6.357 7.784 11.858 1.00 1.00 C ATOM 0 H TRP A 110 14.252 7.736 11.757 1.00 1.00 H new ATOM 0 HA TRP A 110 11.738 6.886 10.403 1.00 1.00 H new ATOM 0 HB2 TRP A 110 12.401 8.825 12.507 1.00 1.00 H new ATOM 0 HB3 TRP A 110 11.332 9.416 11.250 1.00 1.00 H new ATOM 0 HD1 TRP A 110 11.459 6.585 13.901 1.00 1.00 H new ATOM 0 HE1 TRP A 110 9.054 5.806 14.474 1.00 1.00 H new ATOM 0 HE3 TRP A 110 9.058 9.366 10.408 1.00 1.00 H new ATOM 0 HZ2 TRP A 110 6.446 6.360 13.496 1.00 1.00 H new ATOM 0 HZ3 TRP A 110 6.582 9.188 10.286 1.00 1.00 H new ATOM 0 HH2 TRP A 110 5.282 7.748 11.757 1.00 1.00 H new ATOM 717 N VAL A 111 11.867 8.731 8.621 1.00 1.00 N ATOM 718 CA VAL A 111 12.112 9.479 7.399 1.00 1.00 C ATOM 719 C VAL A 111 10.795 10.077 6.900 1.00 1.00 C ATOM 720 O VAL A 111 9.749 9.434 6.975 1.00 1.00 O ATOM 721 CB VAL A 111 12.792 8.581 6.363 1.00 1.00 C ATOM 722 CG1 VAL A 111 12.020 7.272 6.182 1.00 1.00 C ATOM 723 CG2 VAL A 111 12.955 9.310 5.028 1.00 1.00 C ATOM 0 H VAL A 111 10.897 8.450 8.762 1.00 1.00 H new ATOM 0 HA VAL A 111 12.794 10.308 7.588 1.00 1.00 H new ATOM 0 HB VAL A 111 13.787 8.335 6.734 1.00 1.00 H new ATOM 0 HG11 VAL A 111 12.524 6.652 5.441 1.00 1.00 H new ATOM 0 HG12 VAL A 111 11.978 6.740 7.132 1.00 1.00 H new ATOM 0 HG13 VAL A 111 11.007 7.491 5.844 1.00 1.00 H new ATOM 0 HG21 VAL A 111 13.441 8.650 4.310 1.00 1.00 H new ATOM 0 HG22 VAL A 111 11.975 9.600 4.649 1.00 1.00 H new ATOM 0 HG23 VAL A 111 13.566 10.201 5.172 1.00 1.00 H new ATOM 733 N PRO A 112 10.892 11.333 6.388 1.00 1.00 N ATOM 734 CA PRO A 112 9.721 12.025 5.876 1.00 1.00 C ATOM 735 C PRO A 112 9.304 11.465 4.514 1.00 1.00 C ATOM 736 O PRO A 112 10.150 11.039 3.729 1.00 1.00 O ATOM 737 CB PRO A 112 10.123 13.489 5.818 1.00 1.00 C ATOM 738 CG PRO A 112 11.643 13.505 5.855 1.00 1.00 C ATOM 739 CD PRO A 112 12.114 12.125 6.282 1.00 1.00 C ATOM 0 HA PRO A 112 8.844 11.891 6.509 1.00 1.00 H new ATOM 0 HB2 PRO A 112 9.749 13.961 4.909 1.00 1.00 H new ATOM 0 HB3 PRO A 112 9.706 14.042 6.659 1.00 1.00 H new ATOM 0 HG2 PRO A 112 12.046 13.759 4.875 1.00 1.00 H new ATOM 0 HG3 PRO A 112 12.000 14.263 6.553 1.00 1.00 H new ATOM 0 HD2 PRO A 112 12.801 11.697 5.552 1.00 1.00 H new ATOM 0 HD3 PRO A 112 12.644 12.164 7.234 1.00 1.00 H new ATOM 747 N SER A 113 8.001 11.482 4.277 1.00 1.00 N ATOM 748 CA SER A 113 7.462 10.981 3.024 1.00 1.00 C ATOM 749 C SER A 113 7.794 11.950 1.887 1.00 1.00 C ATOM 750 O SER A 113 7.613 11.623 0.715 1.00 1.00 O ATOM 751 CB SER A 113 5.949 10.774 3.119 1.00 1.00 C ATOM 752 OG SER A 113 5.576 9.430 2.828 1.00 1.00 O ATOM 0 H SER A 113 7.302 11.835 4.931 1.00 1.00 H new ATOM 0 HA SER A 113 7.922 10.015 2.816 1.00 1.00 H new ATOM 0 HB2 SER A 113 5.609 11.036 4.121 1.00 1.00 H new ATOM 0 HB3 SER A 113 5.446 11.448 2.426 1.00 1.00 H new ATOM 0 HG SER A 113 5.279 8.988 3.650 1.00 1.00 H new ATOM 758 N ASN A 114 8.275 13.123 2.273 1.00 1.00 N ATOM 759 CA ASN A 114 8.634 14.141 1.300 1.00 1.00 C ATOM 760 C ASN A 114 9.880 13.691 0.534 1.00 1.00 C ATOM 761 O ASN A 114 10.050 14.032 -0.636 1.00 1.00 O ATOM 762 CB ASN A 114 8.956 15.469 1.987 1.00 1.00 C ATOM 763 CG ASN A 114 8.123 16.608 1.396 1.00 1.00 C ATOM 764 OD1 ASN A 114 7.169 17.086 1.988 1.00 1.00 O ATOM 765 ND2 ASN A 114 8.535 17.015 0.199 1.00 1.00 N ATOM 0 H ASN A 114 8.424 13.391 3.246 1.00 1.00 H new ATOM 0 HA ASN A 114 7.788 14.278 0.627 1.00 1.00 H new ATOM 0 HB2 ASN A 114 8.759 15.387 3.056 1.00 1.00 H new ATOM 0 HB3 ASN A 114 10.017 15.693 1.874 1.00 1.00 H new ATOM 0 HD21 ASN A 114 8.045 17.771 -0.279 1.00 1.00 H new ATOM 0 HD22 ASN A 114 9.341 16.571 -0.241 1.00 1.00 H new ATOM 772 N TYR A 115 10.718 12.932 1.224 1.00 1.00 N ATOM 773 CA TYR A 115 11.943 12.433 0.623 1.00 1.00 C ATOM 774 C TYR A 115 11.742 11.025 0.058 1.00 1.00 C ATOM 775 O TYR A 115 12.664 10.443 -0.511 1.00 1.00 O ATOM 776 CB TYR A 115 12.974 12.373 1.752 1.00 1.00 C ATOM 777 CG TYR A 115 13.635 13.718 2.062 1.00 1.00 C ATOM 778 CD1 TYR A 115 12.856 14.814 2.371 1.00 1.00 C ATOM 779 CD2 TYR A 115 15.010 13.833 2.033 1.00 1.00 C ATOM 780 CE1 TYR A 115 13.479 16.080 2.663 1.00 1.00 C ATOM 781 CE2 TYR A 115 15.632 15.099 2.326 1.00 1.00 C ATOM 782 CZ TYR A 115 14.836 16.160 2.626 1.00 1.00 C ATOM 783 OH TYR A 115 15.424 17.354 2.902 1.00 1.00 O ATOM 0 H TYR A 115 10.573 12.650 2.194 1.00 1.00 H new ATOM 0 HA TYR A 115 12.258 13.078 -0.197 1.00 1.00 H new ATOM 0 HB2 TYR A 115 12.488 12.002 2.654 1.00 1.00 H new ATOM 0 HB3 TYR A 115 13.747 11.652 1.486 1.00 1.00 H new ATOM 0 HD1 TYR A 115 11.780 14.723 2.394 1.00 1.00 H new ATOM 0 HD2 TYR A 115 15.619 12.975 1.791 1.00 1.00 H new ATOM 0 HE1 TYR A 115 12.881 16.946 2.906 1.00 1.00 H new ATOM 0 HE2 TYR A 115 16.707 15.203 2.308 1.00 1.00 H new ATOM 0 HH TYR A 115 16.398 17.262 2.839 1.00 1.00 H new ATOM 793 N ILE A 116 10.530 10.519 0.234 1.00 1.00 N ATOM 794 CA ILE A 116 10.196 9.191 -0.251 1.00 1.00 C ATOM 795 C ILE A 116 9.043 9.293 -1.252 1.00 1.00 C ATOM 796 O ILE A 116 8.181 10.161 -1.124 1.00 1.00 O ATOM 797 CB ILE A 116 9.911 8.248 0.920 1.00 1.00 C ATOM 798 CG1 ILE A 116 10.970 8.398 2.014 1.00 1.00 C ATOM 799 CG2 ILE A 116 9.783 6.801 0.441 1.00 1.00 C ATOM 800 CD1 ILE A 116 10.464 7.843 3.347 1.00 1.00 C ATOM 0 H ILE A 116 9.767 11.005 0.706 1.00 1.00 H new ATOM 0 HA ILE A 116 11.043 8.756 -0.782 1.00 1.00 H new ATOM 0 HB ILE A 116 8.953 8.527 1.358 1.00 1.00 H new ATOM 0 HG12 ILE A 116 11.879 7.874 1.719 1.00 1.00 H new ATOM 0 HG13 ILE A 116 11.232 9.450 2.130 1.00 1.00 H new ATOM 0 HG21 ILE A 116 9.581 6.152 1.293 1.00 1.00 H new ATOM 0 HG22 ILE A 116 8.964 6.726 -0.275 1.00 1.00 H new ATOM 0 HG23 ILE A 116 10.713 6.492 -0.037 1.00 1.00 H new ATOM 0 HD11 ILE A 116 11.236 7.962 4.107 1.00 1.00 H new ATOM 0 HD12 ILE A 116 9.569 8.386 3.651 1.00 1.00 H new ATOM 0 HD13 ILE A 116 10.226 6.785 3.234 1.00 1.00 H new ATOM 812 N THR A 117 9.066 8.395 -2.226 1.00 1.00 N ATOM 813 CA THR A 117 8.033 8.373 -3.248 1.00 1.00 C ATOM 814 C THR A 117 7.541 6.943 -3.479 1.00 1.00 C ATOM 815 O THR A 117 8.259 5.984 -3.202 1.00 1.00 O ATOM 816 CB THR A 117 8.601 9.031 -4.507 1.00 1.00 C ATOM 817 OG1 THR A 117 7.940 8.360 -5.577 1.00 1.00 O ATOM 818 CG2 THR A 117 10.081 8.708 -4.721 1.00 1.00 C ATOM 0 H THR A 117 9.784 7.677 -2.329 1.00 1.00 H new ATOM 0 HA THR A 117 7.155 8.938 -2.935 1.00 1.00 H new ATOM 0 HB THR A 117 8.472 10.111 -4.441 1.00 1.00 H new ATOM 0 HG1 THR A 117 8.248 8.726 -6.432 1.00 1.00 H new ATOM 0 HG21 THR A 117 10.433 9.200 -5.628 1.00 1.00 H new ATOM 0 HG22 THR A 117 10.658 9.064 -3.868 1.00 1.00 H new ATOM 0 HG23 THR A 117 10.207 7.630 -4.820 1.00 1.00 H new ATOM 826 N PRO A 118 6.288 6.843 -3.996 1.00 1.00 N ATOM 827 CA PRO A 118 5.691 5.546 -4.268 1.00 1.00 C ATOM 828 C PRO A 118 6.297 4.916 -5.523 1.00 1.00 C ATOM 829 O PRO A 118 7.049 5.566 -6.247 1.00 1.00 O ATOM 830 CB PRO A 118 4.201 5.818 -4.400 1.00 1.00 C ATOM 831 CG PRO A 118 4.072 7.310 -4.660 1.00 1.00 C ATOM 832 CD PRO A 118 5.408 7.958 -4.336 1.00 1.00 C ATOM 0 HA PRO A 118 5.881 4.821 -3.476 1.00 1.00 H new ATOM 0 HB2 PRO A 118 3.769 5.240 -5.217 1.00 1.00 H new ATOM 0 HB3 PRO A 118 3.670 5.532 -3.492 1.00 1.00 H new ATOM 0 HG2 PRO A 118 3.801 7.494 -5.700 1.00 1.00 H new ATOM 0 HG3 PRO A 118 3.281 7.738 -4.044 1.00 1.00 H new ATOM 0 HD2 PRO A 118 5.792 8.520 -5.187 1.00 1.00 H new ATOM 0 HD3 PRO A 118 5.317 8.658 -3.506 1.00 1.00 H new ATOM 840 N VAL A 119 5.948 3.657 -5.742 1.00 1.00 N ATOM 841 CA VAL A 119 6.448 2.931 -6.897 1.00 1.00 C ATOM 842 C VAL A 119 5.386 2.941 -7.999 1.00 1.00 C ATOM 843 O VAL A 119 5.568 2.322 -9.046 1.00 1.00 O ATOM 844 CB VAL A 119 6.869 1.519 -6.486 1.00 1.00 C ATOM 845 CG1 VAL A 119 7.054 0.623 -7.712 1.00 1.00 C ATOM 846 CG2 VAL A 119 8.140 1.552 -5.634 1.00 1.00 C ATOM 0 H VAL A 119 5.324 3.121 -5.139 1.00 1.00 H new ATOM 0 HA VAL A 119 7.338 3.417 -7.298 1.00 1.00 H new ATOM 0 HB VAL A 119 6.069 1.095 -5.879 1.00 1.00 H new ATOM 0 HG11 VAL A 119 7.353 -0.375 -7.392 1.00 1.00 H new ATOM 0 HG12 VAL A 119 6.115 0.561 -8.262 1.00 1.00 H new ATOM 0 HG13 VAL A 119 7.826 1.044 -8.357 1.00 1.00 H new ATOM 0 HG21 VAL A 119 8.418 0.535 -5.355 1.00 1.00 H new ATOM 0 HG22 VAL A 119 8.950 2.005 -6.206 1.00 1.00 H new ATOM 0 HG23 VAL A 119 7.959 2.139 -4.733 1.00 1.00 H new ATOM 856 N SER A 120 4.302 3.651 -7.725 1.00 1.00 N ATOM 857 CA SER A 120 3.211 3.750 -8.681 1.00 1.00 C ATOM 858 C SER A 120 3.068 5.194 -9.163 1.00 1.00 C ATOM 859 O SER A 120 2.142 5.435 -9.967 1.00 1.00 O ATOM 860 CB SER A 120 1.897 3.262 -8.068 1.00 1.00 C ATOM 861 OG SER A 120 1.305 4.244 -7.223 1.00 1.00 O ATOM 862 OXT SER A 120 3.840 6.065 -8.765 1.00 1.00 O ATOM 0 H SER A 120 4.155 4.163 -6.855 1.00 1.00 H new ATOM 0 HA SER A 120 3.443 3.111 -9.533 1.00 1.00 H new ATOM 0 HB2 SER A 120 1.200 3.002 -8.865 1.00 1.00 H new ATOM 0 HB3 SER A 120 2.080 2.353 -7.495 1.00 1.00 H new ATOM 0 HG SER A 120 0.468 3.895 -6.853 1.00 1.00 H new