USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=14 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 -118:sc= -0.102 USER MOD Set 1.2: A 113 SER OG : rot 113:sc= 1.12 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -127:sc= 0.268 USER MOD Single : A 78 ASN :FLIP amide:sc= -2.17! C(o=-4.9!,f=-2.2!) USER MOD Single : A 79 THR OG1 : rot -160:sc= -1.37 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 30:sc= 0.61 USER MOD Single : A 94 ASN : amide:sc= -10.8! C(o=-11!,f=-18!) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 ASN : amide:sc= -2.19! C(o=-2.2!,f=-4.6!) USER MOD Single : A 103 GLN : amide:sc= -0.155 K(o=-0.16,f=-1.1) USER MOD Single : A 104 THR OG1 : rot -170:sc= -2.79! USER MOD Single : A 105 LYS NZ :NH3+ 150:sc= -0.17 (180deg=-0.693) USER MOD Single : A 106 ASN : amide:sc= -0.488 K(o=-0.49,f=-4.6!) USER MOD Single : A 108 GLN : amide:sc= -0.612 K(o=-0.61,f=-1.2) USER MOD Single : A 114 ASN : amide:sc=-0.00764 X(o=-0.0076,f=-0.016) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 180:sc= -1.63 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 6.334 1.405 -2.186 1.00 1.00 C ATOM 15 O LEU A 65 6.299 1.865 -3.326 1.00 1.00 O ATOM 16 CB LEU A 65 6.417 -1.084 -2.786 1.00 1.00 C ATOM 17 CG LEU A 65 6.475 -2.490 -2.184 1.00 1.00 C ATOM 18 CD1 LEU A 65 7.466 -2.547 -1.020 1.00 1.00 C ATOM 19 CD2 LEU A 65 5.081 -2.969 -1.775 1.00 1.00 C ATOM 0 HA LEU A 65 6.094 -0.251 -0.879 1.00 1.00 H new ATOM 0 HB2 LEU A 65 5.849 -1.131 -3.715 1.00 1.00 H new ATOM 0 HB3 LEU A 65 7.431 -0.780 -3.047 1.00 1.00 H new ATOM 0 HG LEU A 65 6.838 -3.175 -2.950 1.00 1.00 H new ATOM 0 HD11 LEU A 65 7.488 -3.557 -0.610 1.00 1.00 H new ATOM 0 HD12 LEU A 65 8.461 -2.278 -1.375 1.00 1.00 H new ATOM 0 HD13 LEU A 65 7.156 -1.847 -0.244 1.00 1.00 H new ATOM 0 HD21 LEU A 65 5.150 -3.970 -1.350 1.00 1.00 H new ATOM 0 HD22 LEU A 65 4.666 -2.288 -1.032 1.00 1.00 H new ATOM 0 HD23 LEU A 65 4.432 -2.990 -2.651 1.00 1.00 H new ATOM 31 N PHE A 66 6.815 2.048 -1.132 1.00 1.00 N ATOM 32 CA PHE A 66 7.355 3.391 -1.257 1.00 1.00 C ATOM 33 C PHE A 66 8.849 3.415 -0.927 1.00 1.00 C ATOM 34 O PHE A 66 9.351 2.526 -0.241 1.00 1.00 O ATOM 35 CB PHE A 66 6.608 4.268 -0.249 1.00 1.00 C ATOM 36 CG PHE A 66 5.117 3.947 -0.130 1.00 1.00 C ATOM 37 CD1 PHE A 66 4.711 2.851 0.565 1.00 1.00 C ATOM 38 CD2 PHE A 66 4.198 4.759 -0.718 1.00 1.00 C ATOM 39 CE1 PHE A 66 3.327 2.553 0.676 1.00 1.00 C ATOM 40 CE2 PHE A 66 2.814 4.461 -0.607 1.00 1.00 C ATOM 41 CZ PHE A 66 2.408 3.365 0.088 1.00 1.00 C ATOM 0 H PHE A 66 6.842 1.664 -0.188 1.00 1.00 H new ATOM 0 HA PHE A 66 7.231 3.748 -2.279 1.00 1.00 H new ATOM 0 HB2 PHE A 66 7.073 4.155 0.730 1.00 1.00 H new ATOM 0 HB3 PHE A 66 6.722 5.313 -0.537 1.00 1.00 H new ATOM 0 HD1 PHE A 66 5.441 2.207 1.033 1.00 1.00 H new ATOM 0 HD2 PHE A 66 4.521 5.630 -1.269 1.00 1.00 H new ATOM 0 HE1 PHE A 66 3.004 1.682 1.227 1.00 1.00 H new ATOM 0 HE2 PHE A 66 2.084 5.105 -1.075 1.00 1.00 H new ATOM 0 HZ PHE A 66 1.355 3.139 0.173 1.00 1.00 H new ATOM 51 N VAL A 67 9.517 4.442 -1.432 1.00 1.00 N ATOM 52 CA VAL A 67 10.943 4.593 -1.199 1.00 1.00 C ATOM 53 C VAL A 67 11.225 6.007 -0.689 1.00 1.00 C ATOM 54 O VAL A 67 10.634 6.974 -1.168 1.00 1.00 O ATOM 55 CB VAL A 67 11.720 4.251 -2.473 1.00 1.00 C ATOM 56 CG1 VAL A 67 12.152 2.784 -2.474 1.00 1.00 C ATOM 57 CG2 VAL A 67 10.899 4.582 -3.721 1.00 1.00 C ATOM 0 H VAL A 67 9.097 5.177 -2.001 1.00 1.00 H new ATOM 0 HA VAL A 67 11.281 3.897 -0.431 1.00 1.00 H new ATOM 0 HB VAL A 67 12.620 4.865 -2.492 1.00 1.00 H new ATOM 0 HG11 VAL A 67 12.702 2.567 -3.390 1.00 1.00 H new ATOM 0 HG12 VAL A 67 12.792 2.593 -1.613 1.00 1.00 H new ATOM 0 HG13 VAL A 67 11.271 2.145 -2.420 1.00 1.00 H new ATOM 0 HG21 VAL A 67 11.474 4.330 -4.612 1.00 1.00 H new ATOM 0 HG22 VAL A 67 9.974 4.006 -3.711 1.00 1.00 H new ATOM 0 HG23 VAL A 67 10.664 5.646 -3.730 1.00 1.00 H new ATOM 67 N ALA A 68 12.129 6.084 0.278 1.00 1.00 N ATOM 68 CA ALA A 68 12.496 7.364 0.859 1.00 1.00 C ATOM 69 C ALA A 68 13.243 8.197 -0.185 1.00 1.00 C ATOM 70 O ALA A 68 14.087 7.676 -0.912 1.00 1.00 O ATOM 71 CB ALA A 68 13.326 7.132 2.123 1.00 1.00 C ATOM 0 H ALA A 68 12.618 5.280 0.673 1.00 1.00 H new ATOM 0 HA ALA A 68 11.607 7.922 1.152 1.00 1.00 H new ATOM 0 HB1 ALA A 68 13.601 8.092 2.559 1.00 1.00 H new ATOM 0 HB2 ALA A 68 12.740 6.561 2.843 1.00 1.00 H new ATOM 0 HB3 ALA A 68 14.229 6.577 1.869 1.00 1.00 H new ATOM 77 N LEU A 69 12.906 9.478 -0.225 1.00 1.00 N ATOM 78 CA LEU A 69 13.534 10.388 -1.167 1.00 1.00 C ATOM 79 C LEU A 69 14.753 11.037 -0.507 1.00 1.00 C ATOM 80 O LEU A 69 15.843 11.041 -1.077 1.00 1.00 O ATOM 81 CB LEU A 69 12.514 11.396 -1.700 1.00 1.00 C ATOM 82 CG LEU A 69 12.275 11.373 -3.211 1.00 1.00 C ATOM 83 CD1 LEU A 69 11.014 12.158 -3.579 1.00 1.00 C ATOM 84 CD2 LEU A 69 13.505 11.876 -3.969 1.00 1.00 C ATOM 0 H LEU A 69 12.206 9.907 0.380 1.00 1.00 H new ATOM 0 HA LEU A 69 13.895 9.844 -2.040 1.00 1.00 H new ATOM 0 HB2 LEU A 69 11.562 11.219 -1.199 1.00 1.00 H new ATOM 0 HB3 LEU A 69 12.841 12.397 -1.419 1.00 1.00 H new ATOM 0 HG LEU A 69 12.111 10.339 -3.515 1.00 1.00 H new ATOM 0 HD11 LEU A 69 10.867 12.126 -4.659 1.00 1.00 H new ATOM 0 HD12 LEU A 69 10.151 11.714 -3.082 1.00 1.00 H new ATOM 0 HD13 LEU A 69 11.124 13.194 -3.259 1.00 1.00 H new ATOM 0 HD21 LEU A 69 13.308 11.849 -5.041 1.00 1.00 H new ATOM 0 HD22 LEU A 69 13.726 12.900 -3.666 1.00 1.00 H new ATOM 0 HD23 LEU A 69 14.359 11.238 -3.741 1.00 1.00 H new ATOM 96 N TYR A 70 14.527 11.570 0.684 1.00 1.00 N ATOM 97 CA TYR A 70 15.592 12.220 1.428 1.00 1.00 C ATOM 98 C TYR A 70 15.876 11.483 2.738 1.00 1.00 C ATOM 99 O TYR A 70 15.205 10.503 3.061 1.00 1.00 O ATOM 100 CB TYR A 70 15.085 13.627 1.748 1.00 1.00 C ATOM 101 CG TYR A 70 15.352 14.651 0.643 1.00 1.00 C ATOM 102 CD1 TYR A 70 14.959 14.386 -0.653 1.00 1.00 C ATOM 103 CD2 TYR A 70 15.985 15.841 0.942 1.00 1.00 C ATOM 104 CE1 TYR A 70 15.210 15.349 -1.694 1.00 1.00 C ATOM 105 CE2 TYR A 70 16.236 16.804 -0.098 1.00 1.00 C ATOM 106 CZ TYR A 70 15.836 16.511 -1.365 1.00 1.00 C ATOM 107 OH TYR A 70 16.073 17.421 -2.347 1.00 1.00 O ATOM 0 H TYR A 70 13.621 11.565 1.153 1.00 1.00 H new ATOM 0 HA TYR A 70 16.514 12.230 0.847 1.00 1.00 H new ATOM 0 HB2 TYR A 70 14.012 13.582 1.936 1.00 1.00 H new ATOM 0 HB3 TYR A 70 15.555 13.971 2.669 1.00 1.00 H new ATOM 0 HD1 TYR A 70 14.463 13.456 -0.887 1.00 1.00 H new ATOM 0 HD2 TYR A 70 16.292 16.049 1.956 1.00 1.00 H new ATOM 0 HE1 TYR A 70 14.908 15.153 -2.712 1.00 1.00 H new ATOM 0 HE2 TYR A 70 16.731 17.738 0.123 1.00 1.00 H new ATOM 0 HH TYR A 70 16.525 18.203 -1.966 1.00 1.00 H new ATOM 117 N ASP A 71 16.871 11.981 3.457 1.00 1.00 N ATOM 118 CA ASP A 71 17.251 11.382 4.725 1.00 1.00 C ATOM 119 C ASP A 71 16.178 11.688 5.771 1.00 1.00 C ATOM 120 O ASP A 71 15.153 12.290 5.456 1.00 1.00 O ATOM 121 CB ASP A 71 18.578 11.954 5.228 1.00 1.00 C ATOM 122 CG ASP A 71 18.774 13.450 4.977 1.00 1.00 C ATOM 123 OD1 ASP A 71 17.801 14.198 5.215 1.00 1.00 O ATOM 124 OD2 ASP A 71 19.893 13.813 4.554 1.00 1.00 O ATOM 0 H ASP A 71 17.426 12.793 3.186 1.00 1.00 H new ATOM 0 HA ASP A 71 17.355 10.308 4.573 1.00 1.00 H new ATOM 0 HB2 ASP A 71 18.654 11.768 6.299 1.00 1.00 H new ATOM 0 HB3 ASP A 71 19.394 11.411 4.752 1.00 1.00 H new ATOM 129 N PHE A 72 16.450 11.259 6.995 1.00 1.00 N ATOM 130 CA PHE A 72 15.520 11.479 8.090 1.00 1.00 C ATOM 131 C PHE A 72 15.989 12.628 8.985 1.00 1.00 C ATOM 132 O PHE A 72 17.160 13.003 8.957 1.00 1.00 O ATOM 133 CB PHE A 72 15.484 10.189 8.912 1.00 1.00 C ATOM 134 CG PHE A 72 15.328 10.416 10.417 1.00 1.00 C ATOM 135 CD1 PHE A 72 14.088 10.534 10.963 1.00 1.00 C ATOM 136 CD2 PHE A 72 16.431 10.498 11.210 1.00 1.00 C ATOM 137 CE1 PHE A 72 13.944 10.744 12.359 1.00 1.00 C ATOM 138 CE2 PHE A 72 16.286 10.708 12.607 1.00 1.00 C ATOM 139 CZ PHE A 72 15.046 10.826 13.152 1.00 1.00 C ATOM 0 H PHE A 72 17.301 10.760 7.253 1.00 1.00 H new ATOM 0 HA PHE A 72 14.537 11.738 7.697 1.00 1.00 H new ATOM 0 HB2 PHE A 72 14.659 9.569 8.561 1.00 1.00 H new ATOM 0 HB3 PHE A 72 16.402 9.630 8.732 1.00 1.00 H new ATOM 0 HD1 PHE A 72 13.213 10.468 10.334 1.00 1.00 H new ATOM 0 HD2 PHE A 72 17.416 10.403 10.777 1.00 1.00 H new ATOM 0 HE1 PHE A 72 12.959 10.839 12.792 1.00 1.00 H new ATOM 0 HE2 PHE A 72 17.161 10.774 13.237 1.00 1.00 H new ATOM 0 HZ PHE A 72 14.936 10.985 14.215 1.00 1.00 H new ATOM 149 N VAL A 73 15.051 13.155 9.758 1.00 1.00 N ATOM 150 CA VAL A 73 15.353 14.253 10.659 1.00 1.00 C ATOM 151 C VAL A 73 14.715 13.979 12.023 1.00 1.00 C ATOM 152 O VAL A 73 13.724 13.255 12.114 1.00 1.00 O ATOM 153 CB VAL A 73 14.899 15.577 10.042 1.00 1.00 C ATOM 154 CG1 VAL A 73 15.238 16.754 10.959 1.00 1.00 C ATOM 155 CG2 VAL A 73 15.508 15.772 8.652 1.00 1.00 C ATOM 0 H VAL A 73 14.081 12.841 9.779 1.00 1.00 H new ATOM 0 HA VAL A 73 16.429 14.334 10.814 1.00 1.00 H new ATOM 0 HB VAL A 73 13.815 15.540 9.931 1.00 1.00 H new ATOM 0 HG11 VAL A 73 14.905 17.683 10.497 1.00 1.00 H new ATOM 0 HG12 VAL A 73 14.735 16.625 11.918 1.00 1.00 H new ATOM 0 HG13 VAL A 73 16.316 16.794 11.117 1.00 1.00 H new ATOM 0 HG21 VAL A 73 15.169 16.721 8.236 1.00 1.00 H new ATOM 0 HG22 VAL A 73 16.595 15.777 8.729 1.00 1.00 H new ATOM 0 HG23 VAL A 73 15.194 14.957 8.000 1.00 1.00 H new ATOM 165 N ALA A 74 15.309 14.571 13.048 1.00 1.00 N ATOM 166 CA ALA A 74 14.811 14.399 14.402 1.00 1.00 C ATOM 167 C ALA A 74 13.287 14.537 14.402 1.00 1.00 C ATOM 168 O ALA A 74 12.705 15.035 13.439 1.00 1.00 O ATOM 169 CB ALA A 74 15.488 15.412 15.328 1.00 1.00 C ATOM 0 H ALA A 74 16.130 15.170 12.968 1.00 1.00 H new ATOM 0 HA ALA A 74 15.052 13.404 14.776 1.00 1.00 H new ATOM 0 HB1 ALA A 74 15.114 15.283 16.344 1.00 1.00 H new ATOM 0 HB2 ALA A 74 16.566 15.253 15.315 1.00 1.00 H new ATOM 0 HB3 ALA A 74 15.266 16.423 14.986 1.00 1.00 H new ATOM 175 N SER A 75 12.684 14.088 15.493 1.00 1.00 N ATOM 176 CA SER A 75 11.239 14.155 15.630 1.00 1.00 C ATOM 177 C SER A 75 10.861 14.346 17.100 1.00 1.00 C ATOM 178 O SER A 75 11.730 14.557 17.945 1.00 1.00 O ATOM 179 CB SER A 75 10.573 12.896 15.070 1.00 1.00 C ATOM 180 OG SER A 75 10.164 13.066 13.716 1.00 1.00 O ATOM 0 H SER A 75 13.170 13.677 16.290 1.00 1.00 H new ATOM 0 HA SER A 75 10.881 15.009 15.055 1.00 1.00 H new ATOM 0 HB2 SER A 75 11.267 12.058 15.137 1.00 1.00 H new ATOM 0 HB3 SER A 75 9.707 12.642 15.681 1.00 1.00 H new ATOM 0 HG SER A 75 9.218 12.827 13.628 1.00 1.00 H new ATOM 186 N GLY A 76 9.565 14.265 17.361 1.00 1.00 N ATOM 187 CA GLY A 76 9.062 14.427 18.714 1.00 1.00 C ATOM 188 C GLY A 76 9.145 13.111 19.491 1.00 1.00 C ATOM 189 O GLY A 76 10.193 12.467 19.518 1.00 1.00 O ATOM 0 H GLY A 76 8.847 14.089 16.658 1.00 1.00 H new ATOM 0 HA2 GLY A 76 9.638 15.195 19.230 1.00 1.00 H new ATOM 0 HA3 GLY A 76 8.028 14.770 18.683 1.00 1.00 H new ATOM 193 N ASP A 77 8.027 12.750 20.103 1.00 1.00 N ATOM 194 CA ASP A 77 7.960 11.523 20.878 1.00 1.00 C ATOM 195 C ASP A 77 7.992 10.323 19.929 1.00 1.00 C ATOM 196 O ASP A 77 7.064 9.517 19.910 1.00 1.00 O ATOM 197 CB ASP A 77 6.663 11.452 21.687 1.00 1.00 C ATOM 198 CG ASP A 77 6.763 10.677 23.002 1.00 1.00 C ATOM 199 OD1 ASP A 77 7.906 10.337 23.375 1.00 1.00 O ATOM 200 OD2 ASP A 77 5.693 10.441 23.604 1.00 1.00 O ATOM 0 H ASP A 77 7.160 13.286 20.078 1.00 1.00 H new ATOM 0 HA ASP A 77 8.811 11.508 21.559 1.00 1.00 H new ATOM 0 HB2 ASP A 77 6.333 12.468 21.905 1.00 1.00 H new ATOM 0 HB3 ASP A 77 5.892 10.992 21.069 1.00 1.00 H new ATOM 205 N ASN A 78 9.071 10.243 19.164 1.00 1.00 N ATOM 206 CA ASN A 78 9.236 9.156 18.215 1.00 1.00 C ATOM 207 C ASN A 78 10.167 9.606 17.087 1.00 1.00 C ATOM 208 O ASN A 78 9.862 10.557 16.369 1.00 1.00 O ATOM 209 CB ASN A 78 7.896 8.759 17.593 1.00 1.00 C ATOM 210 CG ASN A 78 7.047 9.995 17.286 1.00 1.00 C ATOM 211 OD1 ASN A 78 5.819 9.946 17.793 1.00 1.00 O flip ATOM 212 ND2 ASN A 78 7.479 10.930 16.632 1.00 1.00 N flip ATOM 0 H ASN A 78 9.839 10.914 19.182 1.00 1.00 H new ATOM 0 HA ASN A 78 9.652 8.302 18.750 1.00 1.00 H new ATOM 0 HB2 ASN A 78 8.069 8.195 16.676 1.00 1.00 H new ATOM 0 HB3 ASN A 78 7.355 8.102 18.274 1.00 1.00 H new ATOM 0 HD21 ASN A 78 8.433 10.903 16.272 1.00 1.00 H new ATOM 0 HD22 ASN A 78 6.886 11.739 16.445 1.00 1.00 H new ATOM 219 N THR A 79 11.282 8.901 16.966 1.00 1.00 N ATOM 220 CA THR A 79 12.259 9.217 15.937 1.00 1.00 C ATOM 221 C THR A 79 12.802 7.933 15.306 1.00 1.00 C ATOM 222 O THR A 79 12.886 6.899 15.967 1.00 1.00 O ATOM 223 CB THR A 79 13.344 10.090 16.568 1.00 1.00 C ATOM 224 OG1 THR A 79 13.193 11.352 15.924 1.00 1.00 O ATOM 225 CG2 THR A 79 14.755 9.641 16.181 1.00 1.00 C ATOM 0 H THR A 79 11.531 8.112 17.563 1.00 1.00 H new ATOM 0 HA THR A 79 11.806 9.778 15.119 1.00 1.00 H new ATOM 0 HB THR A 79 13.241 10.069 17.653 1.00 1.00 H new ATOM 0 HG1 THR A 79 14.019 11.870 16.021 1.00 1.00 H new ATOM 0 HG21 THR A 79 15.488 10.294 16.655 1.00 1.00 H new ATOM 0 HG22 THR A 79 14.914 8.615 16.513 1.00 1.00 H new ATOM 0 HG23 THR A 79 14.869 9.694 15.098 1.00 1.00 H new ATOM 233 N LEU A 80 13.156 8.041 14.034 1.00 1.00 N ATOM 234 CA LEU A 80 13.689 6.902 13.306 1.00 1.00 C ATOM 235 C LEU A 80 14.897 7.349 12.480 1.00 1.00 C ATOM 236 O LEU A 80 14.760 8.151 11.557 1.00 1.00 O ATOM 237 CB LEU A 80 12.590 6.234 12.477 1.00 1.00 C ATOM 238 CG LEU A 80 12.726 4.724 12.276 1.00 1.00 C ATOM 239 CD1 LEU A 80 11.496 4.152 11.567 1.00 1.00 C ATOM 240 CD2 LEU A 80 14.022 4.383 11.538 1.00 1.00 C ATOM 0 H LEU A 80 13.084 8.900 13.489 1.00 1.00 H new ATOM 0 HA LEU A 80 14.042 6.139 13.999 1.00 1.00 H new ATOM 0 HB2 LEU A 80 11.631 6.432 12.955 1.00 1.00 H new ATOM 0 HB3 LEU A 80 12.562 6.710 11.497 1.00 1.00 H new ATOM 0 HG LEU A 80 12.781 4.253 13.257 1.00 1.00 H new ATOM 0 HD11 LEU A 80 11.618 3.077 11.437 1.00 1.00 H new ATOM 0 HD12 LEU A 80 10.607 4.346 12.167 1.00 1.00 H new ATOM 0 HD13 LEU A 80 11.385 4.626 10.592 1.00 1.00 H new ATOM 0 HD21 LEU A 80 14.094 3.303 11.408 1.00 1.00 H new ATOM 0 HD22 LEU A 80 14.022 4.867 10.561 1.00 1.00 H new ATOM 0 HD23 LEU A 80 14.875 4.736 12.118 1.00 1.00 H new ATOM 252 N SER A 81 16.053 6.812 12.842 1.00 1.00 N ATOM 253 CA SER A 81 17.284 7.146 12.146 1.00 1.00 C ATOM 254 C SER A 81 17.378 6.354 10.841 1.00 1.00 C ATOM 255 O SER A 81 17.674 5.160 10.856 1.00 1.00 O ATOM 256 CB SER A 81 18.506 6.870 13.025 1.00 1.00 C ATOM 257 OG SER A 81 18.470 7.616 14.238 1.00 1.00 O ATOM 0 H SER A 81 16.163 6.148 13.608 1.00 1.00 H new ATOM 0 HA SER A 81 17.269 8.211 11.916 1.00 1.00 H new ATOM 0 HB2 SER A 81 18.554 5.806 13.255 1.00 1.00 H new ATOM 0 HB3 SER A 81 19.413 7.118 12.473 1.00 1.00 H new ATOM 0 HG SER A 81 19.266 7.411 14.772 1.00 1.00 H new ATOM 263 N ILE A 82 17.122 7.050 9.743 1.00 1.00 N ATOM 264 CA ILE A 82 17.175 6.426 8.432 1.00 1.00 C ATOM 265 C ILE A 82 17.928 7.343 7.466 1.00 1.00 C ATOM 266 O ILE A 82 18.012 8.550 7.688 1.00 1.00 O ATOM 267 CB ILE A 82 15.768 6.056 7.958 1.00 1.00 C ATOM 268 CG1 ILE A 82 14.705 6.624 8.900 1.00 1.00 C ATOM 269 CG2 ILE A 82 15.629 4.542 7.784 1.00 1.00 C ATOM 270 CD1 ILE A 82 13.344 6.707 8.205 1.00 1.00 C ATOM 0 H ILE A 82 16.877 8.040 9.734 1.00 1.00 H new ATOM 0 HA ILE A 82 17.728 5.488 8.478 1.00 1.00 H new ATOM 0 HB ILE A 82 15.607 6.509 6.980 1.00 1.00 H new ATOM 0 HG12 ILE A 82 14.627 5.995 9.787 1.00 1.00 H new ATOM 0 HG13 ILE A 82 15.006 7.616 9.238 1.00 1.00 H new ATOM 0 HG21 ILE A 82 14.620 4.306 7.447 1.00 1.00 H new ATOM 0 HG22 ILE A 82 16.350 4.193 7.045 1.00 1.00 H new ATOM 0 HG23 ILE A 82 15.818 4.047 8.737 1.00 1.00 H new ATOM 0 HD11 ILE A 82 12.606 7.114 8.897 1.00 1.00 H new ATOM 0 HD12 ILE A 82 13.420 7.356 7.332 1.00 1.00 H new ATOM 0 HD13 ILE A 82 13.035 5.710 7.890 1.00 1.00 H new ATOM 282 N THR A 83 18.457 6.734 6.414 1.00 1.00 N ATOM 283 CA THR A 83 19.200 7.481 5.413 1.00 1.00 C ATOM 284 C THR A 83 18.563 7.304 4.034 1.00 1.00 C ATOM 285 O THR A 83 17.917 6.291 3.770 1.00 1.00 O ATOM 286 CB THR A 83 20.660 7.026 5.471 1.00 1.00 C ATOM 287 OG1 THR A 83 20.890 6.774 6.855 1.00 1.00 O ATOM 288 CG2 THR A 83 21.638 8.151 5.129 1.00 1.00 C ATOM 0 H THR A 83 18.386 5.733 6.233 1.00 1.00 H new ATOM 0 HA THR A 83 19.170 8.552 5.615 1.00 1.00 H new ATOM 0 HB THR A 83 20.809 6.195 4.782 1.00 1.00 H new ATOM 0 HG1 THR A 83 21.814 6.472 6.984 1.00 1.00 H new ATOM 0 HG21 THR A 83 22.659 7.775 5.185 1.00 1.00 H new ATOM 0 HG22 THR A 83 21.439 8.512 4.120 1.00 1.00 H new ATOM 0 HG23 THR A 83 21.513 8.969 5.838 1.00 1.00 H new ATOM 296 N LYS A 84 18.767 8.305 3.190 1.00 1.00 N ATOM 297 CA LYS A 84 18.220 8.272 1.844 1.00 1.00 C ATOM 298 C LYS A 84 18.824 7.091 1.082 1.00 1.00 C ATOM 299 O LYS A 84 19.603 6.320 1.640 1.00 1.00 O ATOM 300 CB LYS A 84 18.424 9.620 1.151 1.00 1.00 C ATOM 301 CG LYS A 84 19.770 9.667 0.425 1.00 1.00 C ATOM 302 CD LYS A 84 19.581 9.565 -1.089 1.00 1.00 C ATOM 303 CE LYS A 84 19.910 10.893 -1.774 1.00 1.00 C ATOM 304 NZ LYS A 84 20.347 10.663 -3.169 1.00 1.00 N ATOM 0 H LYS A 84 19.303 9.144 3.412 1.00 1.00 H new ATOM 0 HA LYS A 84 17.142 8.115 1.874 1.00 1.00 H new ATOM 0 HB2 LYS A 84 17.617 9.792 0.439 1.00 1.00 H new ATOM 0 HB3 LYS A 84 18.376 10.422 1.887 1.00 1.00 H new ATOM 0 HG2 LYS A 84 20.286 10.596 0.669 1.00 1.00 H new ATOM 0 HG3 LYS A 84 20.403 8.850 0.772 1.00 1.00 H new ATOM 0 HD2 LYS A 84 20.222 8.778 -1.487 1.00 1.00 H new ATOM 0 HD3 LYS A 84 18.552 9.282 -1.312 1.00 1.00 H new ATOM 0 HE2 LYS A 84 19.034 11.541 -1.764 1.00 1.00 H new ATOM 0 HE3 LYS A 84 20.695 11.409 -1.221 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 20.566 11.575 -3.619 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 21.196 10.062 -3.172 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 19.586 10.190 -3.698 1.00 1.00 H new ATOM 318 N GLY A 85 18.442 6.986 -0.183 1.00 1.00 N ATOM 319 CA GLY A 85 18.936 5.912 -1.028 1.00 1.00 C ATOM 320 C GLY A 85 19.160 4.635 -0.216 1.00 1.00 C ATOM 321 O GLY A 85 20.236 4.041 -0.271 1.00 1.00 O ATOM 0 H GLY A 85 17.796 7.627 -0.643 1.00 1.00 H new ATOM 0 HA2 GLY A 85 18.223 5.717 -1.829 1.00 1.00 H new ATOM 0 HA3 GLY A 85 19.870 6.216 -1.500 1.00 1.00 H new ATOM 325 N GLU A 86 18.128 4.251 0.520 1.00 1.00 N ATOM 326 CA GLU A 86 18.198 3.055 1.342 1.00 1.00 C ATOM 327 C GLU A 86 16.835 2.362 1.391 1.00 1.00 C ATOM 328 O GLU A 86 15.854 2.877 0.856 1.00 1.00 O ATOM 329 CB GLU A 86 18.696 3.386 2.751 1.00 1.00 C ATOM 330 CG GLU A 86 19.293 2.151 3.427 1.00 1.00 C ATOM 331 CD GLU A 86 20.577 2.504 4.179 1.00 1.00 C ATOM 332 OE1 GLU A 86 20.588 3.582 4.810 1.00 1.00 O ATOM 333 OE2 GLU A 86 21.521 1.686 4.105 1.00 1.00 O ATOM 0 H GLU A 86 17.238 4.747 0.564 1.00 1.00 H new ATOM 0 HA GLU A 86 18.915 2.370 0.890 1.00 1.00 H new ATOM 0 HB2 GLU A 86 19.447 4.175 2.699 1.00 1.00 H new ATOM 0 HB3 GLU A 86 17.871 3.770 3.351 1.00 1.00 H new ATOM 0 HG2 GLU A 86 18.567 1.725 4.120 1.00 1.00 H new ATOM 0 HG3 GLU A 86 19.504 1.388 2.677 1.00 1.00 H new ATOM 340 N LYS A 87 16.817 1.206 2.037 1.00 1.00 N ATOM 341 CA LYS A 87 15.590 0.438 2.163 1.00 1.00 C ATOM 342 C LYS A 87 14.617 1.185 3.078 1.00 1.00 C ATOM 343 O LYS A 87 14.549 0.910 4.275 1.00 1.00 O ATOM 344 CB LYS A 87 15.896 -0.988 2.624 1.00 1.00 C ATOM 345 CG LYS A 87 14.639 -1.668 3.172 1.00 1.00 C ATOM 346 CD LYS A 87 14.760 -1.913 4.678 1.00 1.00 C ATOM 347 CE LYS A 87 13.381 -2.082 5.319 1.00 1.00 C ATOM 348 NZ LYS A 87 13.381 -3.229 6.254 1.00 1.00 N ATOM 0 H LYS A 87 17.633 0.782 2.479 1.00 1.00 H new ATOM 0 HA LYS A 87 15.102 0.337 1.193 1.00 1.00 H new ATOM 0 HB2 LYS A 87 16.293 -1.567 1.790 1.00 1.00 H new ATOM 0 HB3 LYS A 87 16.668 -0.968 3.393 1.00 1.00 H new ATOM 0 HG2 LYS A 87 13.767 -1.046 2.970 1.00 1.00 H new ATOM 0 HG3 LYS A 87 14.480 -2.616 2.657 1.00 1.00 H new ATOM 0 HD2 LYS A 87 15.360 -2.805 4.858 1.00 1.00 H new ATOM 0 HD3 LYS A 87 15.282 -1.078 5.145 1.00 1.00 H new ATOM 0 HE2 LYS A 87 13.107 -1.171 5.851 1.00 1.00 H new ATOM 0 HE3 LYS A 87 12.630 -2.237 4.544 1.00 1.00 H new ATOM 0 HZ1 LYS A 87 12.438 -3.329 6.680 1.00 1.00 H new ATOM 0 HZ2 LYS A 87 13.622 -4.099 5.737 1.00 1.00 H new ATOM 0 HZ3 LYS A 87 14.084 -3.066 7.003 1.00 1.00 H new ATOM 362 N LEU A 88 13.888 2.116 2.479 1.00 1.00 N ATOM 363 CA LEU A 88 12.922 2.904 3.225 1.00 1.00 C ATOM 364 C LEU A 88 11.539 2.740 2.593 1.00 1.00 C ATOM 365 O LEU A 88 11.219 3.406 1.610 1.00 1.00 O ATOM 366 CB LEU A 88 13.383 4.360 3.326 1.00 1.00 C ATOM 367 CG LEU A 88 13.677 4.874 4.737 1.00 1.00 C ATOM 368 CD1 LEU A 88 14.984 5.669 4.769 1.00 1.00 C ATOM 369 CD2 LEU A 88 12.499 5.685 5.281 1.00 1.00 C ATOM 0 H LEU A 88 13.947 2.342 1.486 1.00 1.00 H new ATOM 0 HA LEU A 88 12.848 2.544 4.251 1.00 1.00 H new ATOM 0 HB2 LEU A 88 14.283 4.478 2.723 1.00 1.00 H new ATOM 0 HB3 LEU A 88 12.616 4.995 2.882 1.00 1.00 H new ATOM 0 HG LEU A 88 13.807 4.014 5.394 1.00 1.00 H new ATOM 0 HD11 LEU A 88 15.170 6.023 5.783 1.00 1.00 H new ATOM 0 HD12 LEU A 88 15.807 5.029 4.452 1.00 1.00 H new ATOM 0 HD13 LEU A 88 14.907 6.522 4.095 1.00 1.00 H new ATOM 0 HD21 LEU A 88 12.734 6.039 6.285 1.00 1.00 H new ATOM 0 HD22 LEU A 88 12.313 6.539 4.630 1.00 1.00 H new ATOM 0 HD23 LEU A 88 11.610 5.056 5.317 1.00 1.00 H new ATOM 381 N ARG A 89 10.756 1.848 3.183 1.00 1.00 N ATOM 382 CA ARG A 89 9.415 1.587 2.689 1.00 1.00 C ATOM 383 C ARG A 89 8.410 1.620 3.842 1.00 1.00 C ATOM 384 O ARG A 89 8.608 0.961 4.862 1.00 1.00 O ATOM 385 CB ARG A 89 9.339 0.227 1.993 1.00 1.00 C ATOM 386 CG ARG A 89 10.720 -0.221 1.512 1.00 1.00 C ATOM 387 CD ARG A 89 10.639 -1.567 0.789 1.00 1.00 C ATOM 388 NE ARG A 89 11.333 -1.484 -0.515 1.00 1.00 N ATOM 389 CZ ARG A 89 12.662 -1.559 -0.665 1.00 1.00 C ATOM 390 NH1 ARG A 89 13.450 -1.719 0.407 1.00 1.00 N ATOM 391 NH2 ARG A 89 13.205 -1.473 -1.888 1.00 1.00 N ATOM 0 H ARG A 89 11.025 1.297 3.998 1.00 1.00 H new ATOM 0 HA ARG A 89 9.170 2.365 1.966 1.00 1.00 H new ATOM 0 HB2 ARG A 89 8.931 -0.515 2.680 1.00 1.00 H new ATOM 0 HB3 ARG A 89 8.656 0.286 1.145 1.00 1.00 H new ATOM 0 HG2 ARG A 89 11.137 0.531 0.842 1.00 1.00 H new ATOM 0 HG3 ARG A 89 11.397 -0.301 2.363 1.00 1.00 H new ATOM 0 HD2 ARG A 89 11.092 -2.346 1.402 1.00 1.00 H new ATOM 0 HD3 ARG A 89 9.596 -1.846 0.638 1.00 1.00 H new ATOM 0 HE ARG A 89 10.764 -1.362 -1.352 1.00 1.00 H new ATOM 0 HH11 ARG A 89 13.038 -1.784 1.338 1.00 1.00 H new ATOM 0 HH12 ARG A 89 14.462 -1.776 0.292 1.00 1.00 H new ATOM 0 HH21 ARG A 89 12.606 -1.350 -2.704 1.00 1.00 H new ATOM 0 HH22 ARG A 89 14.217 -1.530 -2.002 1.00 1.00 H new ATOM 405 N VAL A 90 7.352 2.392 3.642 1.00 1.00 N ATOM 406 CA VAL A 90 6.316 2.519 4.653 1.00 1.00 C ATOM 407 C VAL A 90 5.550 1.199 4.759 1.00 1.00 C ATOM 408 O VAL A 90 5.202 0.595 3.746 1.00 1.00 O ATOM 409 CB VAL A 90 5.412 3.710 4.328 1.00 1.00 C ATOM 410 CG1 VAL A 90 4.139 3.680 5.177 1.00 1.00 C ATOM 411 CG2 VAL A 90 6.161 5.032 4.510 1.00 1.00 C ATOM 0 H VAL A 90 7.190 2.936 2.795 1.00 1.00 H new ATOM 0 HA VAL A 90 6.757 2.719 5.630 1.00 1.00 H new ATOM 0 HB VAL A 90 5.118 3.632 3.281 1.00 1.00 H new ATOM 0 HG11 VAL A 90 3.514 4.537 4.926 1.00 1.00 H new ATOM 0 HG12 VAL A 90 3.590 2.760 4.977 1.00 1.00 H new ATOM 0 HG13 VAL A 90 4.405 3.721 6.233 1.00 1.00 H new ATOM 0 HG21 VAL A 90 5.496 5.863 4.273 1.00 1.00 H new ATOM 0 HG22 VAL A 90 6.498 5.120 5.543 1.00 1.00 H new ATOM 0 HG23 VAL A 90 7.024 5.056 3.844 1.00 1.00 H new ATOM 421 N LEU A 91 5.309 0.790 5.996 1.00 1.00 N ATOM 422 CA LEU A 91 4.590 -0.447 6.249 1.00 1.00 C ATOM 423 C LEU A 91 3.216 -0.123 6.838 1.00 1.00 C ATOM 424 O LEU A 91 2.227 -0.780 6.515 1.00 1.00 O ATOM 425 CB LEU A 91 5.427 -1.385 7.122 1.00 1.00 C ATOM 426 CG LEU A 91 6.010 -2.613 6.420 1.00 1.00 C ATOM 427 CD1 LEU A 91 7.110 -3.257 7.265 1.00 1.00 C ATOM 428 CD2 LEU A 91 4.908 -3.611 6.056 1.00 1.00 C ATOM 0 H LEU A 91 5.599 1.294 6.834 1.00 1.00 H new ATOM 0 HA LEU A 91 4.419 -0.985 5.316 1.00 1.00 H new ATOM 0 HB2 LEU A 91 6.249 -0.812 7.551 1.00 1.00 H new ATOM 0 HB3 LEU A 91 4.808 -1.725 7.952 1.00 1.00 H new ATOM 0 HG LEU A 91 6.470 -2.287 5.487 1.00 1.00 H new ATOM 0 HD11 LEU A 91 7.507 -4.127 6.743 1.00 1.00 H new ATOM 0 HD12 LEU A 91 7.911 -2.536 7.430 1.00 1.00 H new ATOM 0 HD13 LEU A 91 6.697 -3.567 8.225 1.00 1.00 H new ATOM 0 HD21 LEU A 91 5.349 -4.475 5.558 1.00 1.00 H new ATOM 0 HD22 LEU A 91 4.398 -3.936 6.963 1.00 1.00 H new ATOM 0 HD23 LEU A 91 4.191 -3.134 5.388 1.00 1.00 H new ATOM 440 N GLY A 92 3.197 0.890 7.691 1.00 1.00 N ATOM 441 CA GLY A 92 1.960 1.310 8.328 1.00 1.00 C ATOM 442 C GLY A 92 1.780 2.826 8.229 1.00 1.00 C ATOM 443 O GLY A 92 2.720 3.546 7.899 1.00 1.00 O ATOM 0 H GLY A 92 4.019 1.433 7.956 1.00 1.00 H new ATOM 0 HA2 GLY A 92 1.115 0.808 7.856 1.00 1.00 H new ATOM 0 HA3 GLY A 92 1.965 1.008 9.375 1.00 1.00 H new ATOM 447 N TYR A 93 0.564 3.265 8.522 1.00 1.00 N ATOM 448 CA TYR A 93 0.248 4.682 8.470 1.00 1.00 C ATOM 449 C TYR A 93 -0.432 5.140 9.762 1.00 1.00 C ATOM 450 O TYR A 93 -0.908 4.317 10.542 1.00 1.00 O ATOM 451 CB TYR A 93 -0.728 4.854 7.305 1.00 1.00 C ATOM 452 CG TYR A 93 -0.050 5.083 5.953 1.00 1.00 C ATOM 453 CD1 TYR A 93 0.716 4.084 5.387 1.00 1.00 C ATOM 454 CD2 TYR A 93 -0.203 6.290 5.299 1.00 1.00 C ATOM 455 CE1 TYR A 93 1.354 4.300 4.114 1.00 1.00 C ATOM 456 CE2 TYR A 93 0.435 6.505 4.027 1.00 1.00 C ATOM 457 CZ TYR A 93 1.183 5.500 3.497 1.00 1.00 C ATOM 458 OH TYR A 93 1.786 5.704 2.296 1.00 1.00 O ATOM 0 H TYR A 93 -0.213 2.664 8.796 1.00 1.00 H new ATOM 0 HA TYR A 93 1.155 5.273 8.346 1.00 1.00 H new ATOM 0 HB2 TYR A 93 -1.358 3.967 7.238 1.00 1.00 H new ATOM 0 HB3 TYR A 93 -1.386 5.697 7.517 1.00 1.00 H new ATOM 0 HD1 TYR A 93 0.837 3.141 5.899 1.00 1.00 H new ATOM 0 HD2 TYR A 93 -0.801 7.072 5.742 1.00 1.00 H new ATOM 0 HE1 TYR A 93 1.955 3.526 3.659 1.00 1.00 H new ATOM 0 HE2 TYR A 93 0.322 7.444 3.505 1.00 1.00 H new ATOM 0 HH TYR A 93 1.867 4.850 1.821 1.00 1.00 H new ATOM 468 N ASN A 94 -0.456 6.451 9.948 1.00 1.00 N ATOM 469 CA ASN A 94 -1.070 7.028 11.132 1.00 1.00 C ATOM 470 C ASN A 94 -2.586 7.093 10.934 1.00 1.00 C ATOM 471 O ASN A 94 -3.144 6.344 10.135 1.00 1.00 O ATOM 472 CB ASN A 94 -0.564 8.451 11.377 1.00 1.00 C ATOM 473 CG ASN A 94 -1.278 9.452 10.466 1.00 1.00 C ATOM 474 OD1 ASN A 94 -1.863 9.102 9.455 1.00 1.00 O ATOM 475 ND2 ASN A 94 -1.196 10.713 10.880 1.00 1.00 N ATOM 0 H ASN A 94 -0.060 7.131 9.299 1.00 1.00 H new ATOM 0 HA ASN A 94 -0.811 6.401 11.986 1.00 1.00 H new ATOM 0 HB2 ASN A 94 -0.726 8.724 12.420 1.00 1.00 H new ATOM 0 HB3 ASN A 94 0.511 8.494 11.199 1.00 1.00 H new ATOM 0 HD21 ASN A 94 -1.639 11.457 10.341 1.00 1.00 H new ATOM 0 HD22 ASN A 94 -0.690 10.937 11.737 1.00 1.00 H new ATOM 482 N HIS A 95 -3.209 7.996 11.677 1.00 1.00 N ATOM 483 CA HIS A 95 -4.649 8.169 11.594 1.00 1.00 C ATOM 484 C HIS A 95 -4.968 9.485 10.882 1.00 1.00 C ATOM 485 O HIS A 95 -5.982 9.592 10.193 1.00 1.00 O ATOM 486 CB HIS A 95 -5.289 8.075 12.981 1.00 1.00 C ATOM 487 CG HIS A 95 -6.025 6.780 13.231 1.00 1.00 C ATOM 488 ND1 HIS A 95 -5.616 5.857 14.178 1.00 1.00 N ATOM 489 CD2 HIS A 95 -7.146 6.266 12.651 1.00 1.00 C ATOM 490 CE1 HIS A 95 -6.461 4.836 14.158 1.00 1.00 C ATOM 491 NE2 HIS A 95 -7.408 5.091 13.210 1.00 1.00 N ATOM 0 H HIS A 95 -2.743 8.616 12.339 1.00 1.00 H new ATOM 0 HA HIS A 95 -5.082 7.362 11.003 1.00 1.00 H new ATOM 0 HB2 HIS A 95 -4.512 8.191 13.737 1.00 1.00 H new ATOM 0 HB3 HIS A 95 -5.983 8.906 13.107 1.00 1.00 H new ATOM 0 HD2 HIS A 95 -7.724 6.736 11.869 1.00 1.00 H new ATOM 0 HE1 HIS A 95 -6.409 3.957 14.783 1.00 1.00 H new ATOM 0 HE2 HIS A 95 -8.189 4.480 12.970 1.00 1.00 H new ATOM 499 N ASN A 96 -4.084 10.453 11.073 1.00 1.00 N ATOM 500 CA ASN A 96 -4.259 11.758 10.458 1.00 1.00 C ATOM 501 C ASN A 96 -3.568 11.769 9.093 1.00 1.00 C ATOM 502 O ASN A 96 -3.078 12.807 8.650 1.00 1.00 O ATOM 503 CB ASN A 96 -3.632 12.859 11.315 1.00 1.00 C ATOM 504 CG ASN A 96 -3.822 14.233 10.668 1.00 1.00 C ATOM 505 OD1 ASN A 96 -2.877 14.906 10.291 1.00 1.00 O ATOM 506 ND2 ASN A 96 -5.093 14.608 10.560 1.00 1.00 N ATOM 0 H ASN A 96 -3.244 10.360 11.645 1.00 1.00 H new ATOM 0 HA ASN A 96 -5.328 11.944 10.359 1.00 1.00 H new ATOM 0 HB2 ASN A 96 -4.084 12.855 12.307 1.00 1.00 H new ATOM 0 HB3 ASN A 96 -2.569 12.660 11.448 1.00 1.00 H new ATOM 0 HD21 ASN A 96 -5.325 15.508 10.141 1.00 1.00 H new ATOM 0 HD22 ASN A 96 -5.836 13.995 10.897 1.00 1.00 H new ATOM 513 N GLY A 97 -3.551 10.604 8.464 1.00 1.00 N ATOM 514 CA GLY A 97 -2.929 10.467 7.158 1.00 1.00 C ATOM 515 C GLY A 97 -1.862 11.542 6.944 1.00 1.00 C ATOM 516 O GLY A 97 -1.865 12.232 5.925 1.00 1.00 O ATOM 0 H GLY A 97 -3.958 9.745 8.834 1.00 1.00 H new ATOM 0 HA2 GLY A 97 -2.478 9.479 7.068 1.00 1.00 H new ATOM 0 HA3 GLY A 97 -3.688 10.543 6.380 1.00 1.00 H new ATOM 520 N GLU A 98 -0.973 11.651 7.921 1.00 1.00 N ATOM 521 CA GLU A 98 0.098 12.631 7.852 1.00 1.00 C ATOM 522 C GLU A 98 1.458 11.938 7.959 1.00 1.00 C ATOM 523 O GLU A 98 2.321 12.122 7.102 1.00 1.00 O ATOM 524 CB GLU A 98 -0.062 13.695 8.939 1.00 1.00 C ATOM 525 CG GLU A 98 -0.483 15.037 8.335 1.00 1.00 C ATOM 526 CD GLU A 98 0.355 16.182 8.907 1.00 1.00 C ATOM 527 OE1 GLU A 98 0.181 16.465 10.112 1.00 1.00 O ATOM 528 OE2 GLU A 98 1.149 16.749 8.126 1.00 1.00 O ATOM 0 H GLU A 98 -0.973 11.077 8.764 1.00 1.00 H new ATOM 0 HA GLU A 98 0.043 13.134 6.887 1.00 1.00 H new ATOM 0 HB2 GLU A 98 -0.807 13.369 9.665 1.00 1.00 H new ATOM 0 HB3 GLU A 98 0.878 13.814 9.478 1.00 1.00 H new ATOM 0 HG2 GLU A 98 -0.369 15.004 7.251 1.00 1.00 H new ATOM 0 HG3 GLU A 98 -1.539 15.217 8.539 1.00 1.00 H new ATOM 535 N TRP A 99 1.607 11.157 9.019 1.00 1.00 N ATOM 536 CA TRP A 99 2.847 10.436 9.249 1.00 1.00 C ATOM 537 C TRP A 99 2.593 8.954 8.965 1.00 1.00 C ATOM 538 O TRP A 99 1.447 8.507 8.962 1.00 1.00 O ATOM 539 CB TRP A 99 3.376 10.691 10.662 1.00 1.00 C ATOM 540 CG TRP A 99 4.161 11.996 10.806 1.00 1.00 C ATOM 541 CD1 TRP A 99 3.699 13.251 10.727 1.00 1.00 C ATOM 542 CD2 TRP A 99 5.577 12.124 11.060 1.00 1.00 C ATOM 543 NE1 TRP A 99 4.707 14.175 10.910 1.00 1.00 N ATOM 544 CE2 TRP A 99 5.886 13.468 11.119 1.00 1.00 C ATOM 545 CE3 TRP A 99 6.563 11.137 11.233 1.00 1.00 C ATOM 546 CZ2 TRP A 99 7.180 13.947 11.352 1.00 1.00 C ATOM 547 CZ3 TRP A 99 7.852 11.632 11.465 1.00 1.00 C ATOM 548 CH2 TRP A 99 8.179 12.982 11.528 1.00 1.00 C ATOM 0 H TRP A 99 0.889 11.008 9.728 1.00 1.00 H new ATOM 0 HA TRP A 99 3.629 10.790 8.577 1.00 1.00 H new ATOM 0 HB2 TRP A 99 2.536 10.706 11.356 1.00 1.00 H new ATOM 0 HB3 TRP A 99 4.017 9.859 10.955 1.00 1.00 H new ATOM 0 HD1 TRP A 99 2.666 13.507 10.543 1.00 1.00 H new ATOM 0 HE1 TRP A 99 4.606 15.190 10.895 1.00 1.00 H new ATOM 0 HE3 TRP A 99 6.344 10.080 11.190 1.00 1.00 H new ATOM 0 HZ2 TRP A 99 7.396 15.004 11.394 1.00 1.00 H new ATOM 0 HZ3 TRP A 99 8.648 10.915 11.605 1.00 1.00 H new ATOM 0 HH2 TRP A 99 9.199 13.285 11.712 1.00 1.00 H new ATOM 559 N CYS A 100 3.681 8.234 8.732 1.00 1.00 N ATOM 560 CA CYS A 100 3.590 6.812 8.447 1.00 1.00 C ATOM 561 C CYS A 100 4.677 6.092 9.247 1.00 1.00 C ATOM 562 O CYS A 100 5.802 6.577 9.349 1.00 1.00 O ATOM 563 CB CYS A 100 3.701 6.528 6.948 1.00 1.00 C ATOM 564 SG CYS A 100 2.473 7.526 6.028 1.00 1.00 S ATOM 0 H CYS A 100 4.630 8.609 8.735 1.00 1.00 H new ATOM 0 HA CYS A 100 2.611 6.439 8.749 1.00 1.00 H new ATOM 0 HB2 CYS A 100 4.707 6.762 6.599 1.00 1.00 H new ATOM 0 HB3 CYS A 100 3.536 5.468 6.757 1.00 1.00 H new ATOM 0 HG CYS A 100 1.648 6.735 5.408 1.00 1.00 H new ATOM 570 N GLU A 101 4.302 4.945 9.793 1.00 1.00 N ATOM 571 CA GLU A 101 5.231 4.152 10.581 1.00 1.00 C ATOM 572 C GLU A 101 6.197 3.399 9.664 1.00 1.00 C ATOM 573 O GLU A 101 5.770 2.709 8.740 1.00 1.00 O ATOM 574 CB GLU A 101 4.484 3.186 11.502 1.00 1.00 C ATOM 575 CG GLU A 101 5.439 2.153 12.104 1.00 1.00 C ATOM 576 CD GLU A 101 6.391 2.807 13.107 1.00 1.00 C ATOM 577 OE1 GLU A 101 5.889 3.595 13.937 1.00 1.00 O ATOM 578 OE2 GLU A 101 7.601 2.505 13.021 1.00 1.00 O ATOM 0 H GLU A 101 3.368 4.545 9.706 1.00 1.00 H new ATOM 0 HA GLU A 101 5.810 4.827 11.211 1.00 1.00 H new ATOM 0 HB2 GLU A 101 3.996 3.744 12.301 1.00 1.00 H new ATOM 0 HB3 GLU A 101 3.699 2.678 10.942 1.00 1.00 H new ATOM 0 HG2 GLU A 101 4.867 1.368 12.599 1.00 1.00 H new ATOM 0 HG3 GLU A 101 6.013 1.676 11.309 1.00 1.00 H new ATOM 585 N ALA A 102 7.481 3.559 9.950 1.00 1.00 N ATOM 586 CA ALA A 102 8.510 2.903 9.163 1.00 1.00 C ATOM 587 C ALA A 102 9.297 1.943 10.058 1.00 1.00 C ATOM 588 O ALA A 102 9.208 2.017 11.283 1.00 1.00 O ATOM 589 CB ALA A 102 9.406 3.959 8.511 1.00 1.00 C ATOM 0 H ALA A 102 7.832 4.134 10.716 1.00 1.00 H new ATOM 0 HA ALA A 102 8.063 2.315 8.362 1.00 1.00 H new ATOM 0 HB1 ALA A 102 10.178 3.466 7.920 1.00 1.00 H new ATOM 0 HB2 ALA A 102 8.805 4.596 7.863 1.00 1.00 H new ATOM 0 HB3 ALA A 102 9.874 4.567 9.285 1.00 1.00 H new ATOM 595 N GLN A 103 10.050 1.065 9.412 1.00 1.00 N ATOM 596 CA GLN A 103 10.852 0.092 10.134 1.00 1.00 C ATOM 597 C GLN A 103 12.306 0.145 9.658 1.00 1.00 C ATOM 598 O GLN A 103 12.570 0.416 8.488 1.00 1.00 O ATOM 599 CB GLN A 103 10.276 -1.317 9.980 1.00 1.00 C ATOM 600 CG GLN A 103 8.911 -1.428 10.663 1.00 1.00 C ATOM 601 CD GLN A 103 8.328 -2.833 10.497 1.00 1.00 C ATOM 602 OE1 GLN A 103 8.961 -3.739 9.981 1.00 1.00 O ATOM 603 NE2 GLN A 103 7.089 -2.963 10.963 1.00 1.00 N ATOM 0 H GLN A 103 10.122 1.007 8.396 1.00 1.00 H new ATOM 0 HA GLN A 103 10.827 0.345 11.194 1.00 1.00 H new ATOM 0 HB2 GLN A 103 10.178 -1.560 8.922 1.00 1.00 H new ATOM 0 HB3 GLN A 103 10.963 -2.044 10.412 1.00 1.00 H new ATOM 0 HG2 GLN A 103 9.011 -1.195 11.723 1.00 1.00 H new ATOM 0 HG3 GLN A 103 8.227 -0.694 10.238 1.00 1.00 H new ATOM 0 HE21 GLN A 103 6.616 -2.163 11.384 1.00 1.00 H new ATOM 0 HE22 GLN A 103 6.612 -3.862 10.900 1.00 1.00 H new ATOM 612 N THR A 104 13.210 -0.120 10.590 1.00 1.00 N ATOM 613 CA THR A 104 14.629 -0.106 10.281 1.00 1.00 C ATOM 614 C THR A 104 15.167 -1.535 10.182 1.00 1.00 C ATOM 615 O THR A 104 14.700 -2.429 10.887 1.00 1.00 O ATOM 616 CB THR A 104 15.337 0.736 11.344 1.00 1.00 C ATOM 617 OG1 THR A 104 15.458 2.023 10.743 1.00 1.00 O ATOM 618 CG2 THR A 104 16.783 0.295 11.574 1.00 1.00 C ATOM 0 H THR A 104 12.987 -0.346 11.559 1.00 1.00 H new ATOM 0 HA THR A 104 14.817 0.348 9.308 1.00 1.00 H new ATOM 0 HB THR A 104 14.786 0.674 12.282 1.00 1.00 H new ATOM 0 HG1 THR A 104 16.041 2.587 11.293 1.00 1.00 H new ATOM 0 HG21 THR A 104 17.239 0.925 12.338 1.00 1.00 H new ATOM 0 HG22 THR A 104 16.798 -0.744 11.904 1.00 1.00 H new ATOM 0 HG23 THR A 104 17.344 0.388 10.644 1.00 1.00 H new ATOM 626 N LYS A 105 16.141 -1.707 9.300 1.00 1.00 N ATOM 627 CA LYS A 105 16.747 -3.012 9.099 1.00 1.00 C ATOM 628 C LYS A 105 16.843 -3.737 10.443 1.00 1.00 C ATOM 629 O LYS A 105 16.639 -4.949 10.514 1.00 1.00 O ATOM 630 CB LYS A 105 18.090 -2.874 8.378 1.00 1.00 C ATOM 631 CG LYS A 105 19.070 -2.033 9.200 1.00 1.00 C ATOM 632 CD LYS A 105 20.114 -2.919 9.882 1.00 1.00 C ATOM 633 CE LYS A 105 21.419 -2.943 9.083 1.00 1.00 C ATOM 634 NZ LYS A 105 22.035 -1.598 9.057 1.00 1.00 N ATOM 0 H LYS A 105 16.525 -0.964 8.717 1.00 1.00 H new ATOM 0 HA LYS A 105 16.123 -3.625 8.449 1.00 1.00 H new ATOM 0 HB2 LYS A 105 18.514 -3.862 8.199 1.00 1.00 H new ATOM 0 HB3 LYS A 105 17.937 -2.412 7.403 1.00 1.00 H new ATOM 0 HG2 LYS A 105 19.568 -1.311 8.552 1.00 1.00 H new ATOM 0 HG3 LYS A 105 18.524 -1.463 9.952 1.00 1.00 H new ATOM 0 HD2 LYS A 105 20.307 -2.550 10.889 1.00 1.00 H new ATOM 0 HD3 LYS A 105 19.726 -3.933 9.982 1.00 1.00 H new ATOM 0 HE2 LYS A 105 22.111 -3.658 9.527 1.00 1.00 H new ATOM 0 HE3 LYS A 105 21.223 -3.280 8.065 1.00 1.00 H new ATOM 0 HZ1 LYS A 105 23.069 -1.691 8.992 1.00 1.00 H new ATOM 0 HZ2 LYS A 105 21.682 -1.071 8.233 1.00 1.00 H new ATOM 0 HZ3 LYS A 105 21.787 -1.086 9.928 1.00 1.00 H new ATOM 648 N ASN A 106 17.152 -2.967 11.475 1.00 1.00 N ATOM 649 CA ASN A 106 17.277 -3.521 12.812 1.00 1.00 C ATOM 650 C ASN A 106 16.820 -2.479 13.836 1.00 1.00 C ATOM 651 O ASN A 106 17.551 -2.164 14.774 1.00 1.00 O ATOM 652 CB ASN A 106 18.729 -3.886 13.124 1.00 1.00 C ATOM 653 CG ASN A 106 19.039 -5.321 12.693 1.00 1.00 C ATOM 654 OD1 ASN A 106 19.602 -5.573 11.641 1.00 1.00 O ATOM 655 ND2 ASN A 106 18.642 -6.244 13.564 1.00 1.00 N ATOM 0 H ASN A 106 17.320 -1.963 11.412 1.00 1.00 H new ATOM 0 HA ASN A 106 16.661 -4.419 12.864 1.00 1.00 H new ATOM 0 HB2 ASN A 106 19.399 -3.196 12.612 1.00 1.00 H new ATOM 0 HB3 ASN A 106 18.914 -3.776 14.193 1.00 1.00 H new ATOM 0 HD21 ASN A 106 18.804 -7.232 13.369 1.00 1.00 H new ATOM 0 HD22 ASN A 106 18.176 -5.964 14.427 1.00 1.00 H new ATOM 662 N GLY A 107 15.614 -1.974 13.621 1.00 1.00 N ATOM 663 CA GLY A 107 15.052 -0.975 14.514 1.00 1.00 C ATOM 664 C GLY A 107 13.687 -0.499 14.013 1.00 1.00 C ATOM 665 O GLY A 107 13.145 -1.051 13.056 1.00 1.00 O ATOM 0 H GLY A 107 15.011 -2.238 12.842 1.00 1.00 H new ATOM 0 HA2 GLY A 107 14.950 -1.393 15.516 1.00 1.00 H new ATOM 0 HA3 GLY A 107 15.732 -0.126 14.590 1.00 1.00 H new ATOM 669 N GLN A 108 13.170 0.521 14.682 1.00 1.00 N ATOM 670 CA GLN A 108 11.878 1.078 14.317 1.00 1.00 C ATOM 671 C GLN A 108 11.825 2.567 14.663 1.00 1.00 C ATOM 672 O GLN A 108 12.771 3.110 15.233 1.00 1.00 O ATOM 673 CB GLN A 108 10.740 0.315 14.998 1.00 1.00 C ATOM 674 CG GLN A 108 10.073 -0.658 14.025 1.00 1.00 C ATOM 675 CD GLN A 108 9.257 -1.712 14.777 1.00 1.00 C ATOM 676 OE1 GLN A 108 9.098 -1.666 15.985 1.00 1.00 O ATOM 677 NE2 GLN A 108 8.751 -2.663 13.996 1.00 1.00 N ATOM 0 H GLN A 108 13.622 0.976 15.475 1.00 1.00 H new ATOM 0 HA GLN A 108 11.749 0.971 13.240 1.00 1.00 H new ATOM 0 HB2 GLN A 108 11.128 -0.233 15.857 1.00 1.00 H new ATOM 0 HB3 GLN A 108 10.000 1.020 15.377 1.00 1.00 H new ATOM 0 HG2 GLN A 108 9.424 -0.108 13.343 1.00 1.00 H new ATOM 0 HG3 GLN A 108 10.833 -1.148 13.416 1.00 1.00 H new ATOM 0 HE21 GLN A 108 8.922 -2.642 12.991 1.00 1.00 H new ATOM 0 HE22 GLN A 108 8.192 -3.413 14.403 1.00 1.00 H new ATOM 686 N GLY A 109 10.709 3.186 14.306 1.00 1.00 N ATOM 687 CA GLY A 109 10.520 4.602 14.572 1.00 1.00 C ATOM 688 C GLY A 109 9.463 5.198 13.641 1.00 1.00 C ATOM 689 O GLY A 109 8.905 4.496 12.799 1.00 1.00 O ATOM 0 H GLY A 109 9.926 2.733 13.835 1.00 1.00 H new ATOM 0 HA2 GLY A 109 10.217 4.744 15.610 1.00 1.00 H new ATOM 0 HA3 GLY A 109 11.465 5.130 14.441 1.00 1.00 H new ATOM 693 N TRP A 110 9.221 6.488 13.822 1.00 1.00 N ATOM 694 CA TRP A 110 8.241 7.187 13.009 1.00 1.00 C ATOM 695 C TRP A 110 8.987 7.905 11.882 1.00 1.00 C ATOM 696 O TRP A 110 10.143 8.290 12.046 1.00 1.00 O ATOM 697 CB TRP A 110 7.394 8.133 13.862 1.00 1.00 C ATOM 698 CG TRP A 110 6.103 7.506 14.392 1.00 1.00 C ATOM 699 CD1 TRP A 110 5.895 6.926 15.582 1.00 1.00 C ATOM 700 CD2 TRP A 110 4.841 7.420 13.698 1.00 1.00 C ATOM 701 NE1 TRP A 110 4.597 6.474 15.705 1.00 1.00 N ATOM 702 CE2 TRP A 110 3.936 6.784 14.522 1.00 1.00 C ATOM 703 CE3 TRP A 110 4.476 7.865 12.415 1.00 1.00 C ATOM 704 CZ2 TRP A 110 2.608 6.535 14.156 1.00 1.00 C ATOM 705 CZ3 TRP A 110 3.145 7.609 12.063 1.00 1.00 C ATOM 706 CH2 TRP A 110 2.222 6.970 12.882 1.00 1.00 C ATOM 0 H TRP A 110 9.687 7.067 14.520 1.00 1.00 H new ATOM 0 HA TRP A 110 7.535 6.484 12.567 1.00 1.00 H new ATOM 0 HB2 TRP A 110 7.991 8.478 14.706 1.00 1.00 H new ATOM 0 HB3 TRP A 110 7.142 9.013 13.269 1.00 1.00 H new ATOM 0 HD1 TRP A 110 6.649 6.825 16.349 1.00 1.00 H new ATOM 0 HE1 TRP A 110 4.196 6.000 16.514 1.00 1.00 H new ATOM 0 HE3 TRP A 110 5.168 8.365 11.753 1.00 1.00 H new ATOM 0 HZ2 TRP A 110 1.919 6.035 14.820 1.00 1.00 H new ATOM 0 HZ3 TRP A 110 2.813 7.931 11.087 1.00 1.00 H new ATOM 0 HH2 TRP A 110 1.211 6.809 12.537 1.00 1.00 H new ATOM 717 N VAL A 111 8.294 8.062 10.763 1.00 1.00 N ATOM 718 CA VAL A 111 8.877 8.726 9.610 1.00 1.00 C ATOM 719 C VAL A 111 7.772 9.430 8.820 1.00 1.00 C ATOM 720 O VAL A 111 6.725 8.842 8.551 1.00 1.00 O ATOM 721 CB VAL A 111 9.665 7.720 8.769 1.00 1.00 C ATOM 722 CG1 VAL A 111 10.261 6.618 9.648 1.00 1.00 C ATOM 723 CG2 VAL A 111 8.791 7.126 7.663 1.00 1.00 C ATOM 0 H VAL A 111 7.335 7.741 10.631 1.00 1.00 H new ATOM 0 HA VAL A 111 9.587 9.490 9.928 1.00 1.00 H new ATOM 0 HB VAL A 111 10.489 8.253 8.295 1.00 1.00 H new ATOM 0 HG11 VAL A 111 10.816 5.916 9.025 1.00 1.00 H new ATOM 0 HG12 VAL A 111 10.933 7.062 10.382 1.00 1.00 H new ATOM 0 HG13 VAL A 111 9.459 6.090 10.163 1.00 1.00 H new ATOM 0 HG21 VAL A 111 9.376 6.414 7.080 1.00 1.00 H new ATOM 0 HG22 VAL A 111 7.937 6.616 8.109 1.00 1.00 H new ATOM 0 HG23 VAL A 111 8.437 7.924 7.011 1.00 1.00 H new ATOM 733 N PRO A 112 8.049 10.712 8.460 1.00 1.00 N ATOM 734 CA PRO A 112 7.090 11.501 7.706 1.00 1.00 C ATOM 735 C PRO A 112 7.050 11.062 6.241 1.00 1.00 C ATOM 736 O PRO A 112 8.088 10.776 5.646 1.00 1.00 O ATOM 737 CB PRO A 112 7.542 12.942 7.882 1.00 1.00 C ATOM 738 CG PRO A 112 8.991 12.872 8.336 1.00 1.00 C ATOM 739 CD PRO A 112 9.278 11.440 8.760 1.00 1.00 C ATOM 0 HA PRO A 112 6.067 11.372 8.061 1.00 1.00 H new ATOM 0 HB2 PRO A 112 7.452 13.496 6.948 1.00 1.00 H new ATOM 0 HB3 PRO A 112 6.926 13.457 8.619 1.00 1.00 H new ATOM 0 HG2 PRO A 112 9.659 13.172 7.529 1.00 1.00 H new ATOM 0 HG3 PRO A 112 9.165 13.558 9.165 1.00 1.00 H new ATOM 0 HD2 PRO A 112 10.126 11.028 8.214 1.00 1.00 H new ATOM 0 HD3 PRO A 112 9.524 11.383 9.820 1.00 1.00 H new ATOM 747 N SER A 113 5.841 11.023 5.701 1.00 1.00 N ATOM 748 CA SER A 113 5.652 10.624 4.317 1.00 1.00 C ATOM 749 C SER A 113 6.073 11.760 3.382 1.00 1.00 C ATOM 750 O SER A 113 6.150 11.574 2.169 1.00 1.00 O ATOM 751 CB SER A 113 4.197 10.230 4.051 1.00 1.00 C ATOM 752 OG SER A 113 4.040 8.818 3.933 1.00 1.00 O ATOM 0 H SER A 113 4.982 11.261 6.197 1.00 1.00 H new ATOM 0 HA SER A 113 6.278 9.753 4.124 1.00 1.00 H new ATOM 0 HB2 SER A 113 3.568 10.598 4.861 1.00 1.00 H new ATOM 0 HB3 SER A 113 3.853 10.711 3.136 1.00 1.00 H new ATOM 0 HG SER A 113 3.517 8.483 4.691 1.00 1.00 H new ATOM 758 N ASN A 114 6.334 12.911 3.983 1.00 1.00 N ATOM 759 CA ASN A 114 6.745 14.077 3.220 1.00 1.00 C ATOM 760 C ASN A 114 8.182 13.882 2.732 1.00 1.00 C ATOM 761 O ASN A 114 8.589 14.476 1.735 1.00 1.00 O ATOM 762 CB ASN A 114 6.706 15.341 4.081 1.00 1.00 C ATOM 763 CG ASN A 114 5.877 16.438 3.408 1.00 1.00 C ATOM 764 OD1 ASN A 114 6.107 16.817 2.272 1.00 1.00 O ATOM 765 ND2 ASN A 114 4.902 16.923 4.172 1.00 1.00 N ATOM 0 H ASN A 114 6.269 13.061 4.990 1.00 1.00 H new ATOM 0 HA ASN A 114 6.057 14.190 2.382 1.00 1.00 H new ATOM 0 HB2 ASN A 114 6.282 15.107 5.058 1.00 1.00 H new ATOM 0 HB3 ASN A 114 7.721 15.700 4.252 1.00 1.00 H new ATOM 0 HD21 ASN A 114 4.292 17.658 3.815 1.00 1.00 H new ATOM 0 HD22 ASN A 114 4.765 16.560 5.115 1.00 1.00 H new ATOM 772 N TYR A 115 8.910 13.046 3.458 1.00 1.00 N ATOM 773 CA TYR A 115 10.293 12.764 3.112 1.00 1.00 C ATOM 774 C TYR A 115 10.409 11.444 2.347 1.00 1.00 C ATOM 775 O TYR A 115 11.500 11.058 1.929 1.00 1.00 O ATOM 776 CB TYR A 115 11.043 12.639 4.439 1.00 1.00 C ATOM 777 CG TYR A 115 11.331 13.978 5.121 1.00 1.00 C ATOM 778 CD1 TYR A 115 10.287 14.787 5.520 1.00 1.00 C ATOM 779 CD2 TYR A 115 12.634 14.377 5.335 1.00 1.00 C ATOM 780 CE1 TYR A 115 10.558 16.048 6.161 1.00 1.00 C ATOM 781 CE2 TYR A 115 12.906 15.637 5.976 1.00 1.00 C ATOM 782 CZ TYR A 115 11.854 16.411 6.358 1.00 1.00 C ATOM 783 OH TYR A 115 12.110 17.601 6.964 1.00 1.00 O ATOM 0 H TYR A 115 8.568 12.555 4.284 1.00 1.00 H new ATOM 0 HA TYR A 115 10.698 13.552 2.476 1.00 1.00 H new ATOM 0 HB2 TYR A 115 10.459 12.016 5.117 1.00 1.00 H new ATOM 0 HB3 TYR A 115 11.987 12.122 4.264 1.00 1.00 H new ATOM 0 HD1 TYR A 115 9.267 14.475 5.352 1.00 1.00 H new ATOM 0 HD2 TYR A 115 13.451 13.744 5.021 1.00 1.00 H new ATOM 0 HE1 TYR A 115 9.750 16.691 6.478 1.00 1.00 H new ATOM 0 HE2 TYR A 115 13.922 15.961 6.150 1.00 1.00 H new ATOM 0 HH TYR A 115 13.079 17.728 7.039 1.00 1.00 H new ATOM 793 N ILE A 116 9.269 10.788 2.188 1.00 1.00 N ATOM 794 CA ILE A 116 9.229 9.519 1.481 1.00 1.00 C ATOM 795 C ILE A 116 8.215 9.608 0.339 1.00 1.00 C ATOM 796 O ILE A 116 7.239 10.351 0.427 1.00 1.00 O ATOM 797 CB ILE A 116 8.959 8.371 2.455 1.00 1.00 C ATOM 798 CG1 ILE A 116 9.998 8.349 3.579 1.00 1.00 C ATOM 799 CG2 ILE A 116 8.884 7.032 1.719 1.00 1.00 C ATOM 800 CD1 ILE A 116 9.484 7.562 4.786 1.00 1.00 C ATOM 0 H ILE A 116 8.366 11.111 2.536 1.00 1.00 H new ATOM 0 HA ILE A 116 10.198 9.303 1.031 1.00 1.00 H new ATOM 0 HB ILE A 116 7.986 8.539 2.918 1.00 1.00 H new ATOM 0 HG12 ILE A 116 10.923 7.901 3.215 1.00 1.00 H new ATOM 0 HG13 ILE A 116 10.235 9.369 3.880 1.00 1.00 H new ATOM 0 HG21 ILE A 116 8.691 6.233 2.435 1.00 1.00 H new ATOM 0 HG22 ILE A 116 8.078 7.064 0.986 1.00 1.00 H new ATOM 0 HG23 ILE A 116 9.829 6.843 1.211 1.00 1.00 H new ATOM 0 HD11 ILE A 116 10.241 7.562 5.570 1.00 1.00 H new ATOM 0 HD12 ILE A 116 8.573 8.027 5.162 1.00 1.00 H new ATOM 0 HD13 ILE A 116 9.271 6.536 4.487 1.00 1.00 H new ATOM 812 N THR A 117 8.480 8.839 -0.707 1.00 1.00 N ATOM 813 CA THR A 117 7.602 8.821 -1.865 1.00 1.00 C ATOM 814 C THR A 117 7.289 7.381 -2.275 1.00 1.00 C ATOM 815 O THR A 117 8.037 6.462 -1.946 1.00 1.00 O ATOM 816 CB THR A 117 8.267 9.638 -2.974 1.00 1.00 C ATOM 817 OG1 THR A 117 7.890 8.967 -4.173 1.00 1.00 O ATOM 818 CG2 THR A 117 9.793 9.527 -2.949 1.00 1.00 C ATOM 0 H THR A 117 9.290 8.224 -0.777 1.00 1.00 H new ATOM 0 HA THR A 117 6.638 9.277 -1.638 1.00 1.00 H new ATOM 0 HB THR A 117 7.978 10.684 -2.877 1.00 1.00 H new ATOM 0 HG1 THR A 117 8.278 9.432 -4.944 1.00 1.00 H new ATOM 0 HG21 THR A 117 10.215 10.126 -3.756 1.00 1.00 H new ATOM 0 HG22 THR A 117 10.169 9.891 -1.993 1.00 1.00 H new ATOM 0 HG23 THR A 117 10.084 8.485 -3.080 1.00 1.00 H new ATOM 826 N PRO A 118 6.152 7.226 -3.006 1.00 1.00 N ATOM 827 CA PRO A 118 5.731 5.913 -3.464 1.00 1.00 C ATOM 828 C PRO A 118 6.591 5.440 -4.637 1.00 1.00 C ATOM 829 O PRO A 118 7.447 6.179 -5.123 1.00 1.00 O ATOM 830 CB PRO A 118 4.265 6.077 -3.831 1.00 1.00 C ATOM 831 CG PRO A 118 4.043 7.570 -4.006 1.00 1.00 C ATOM 832 CD PRO A 118 5.242 8.292 -3.414 1.00 1.00 C ATOM 0 HA PRO A 118 5.854 5.142 -2.703 1.00 1.00 H new ATOM 0 HB2 PRO A 118 4.029 5.537 -4.748 1.00 1.00 H new ATOM 0 HB3 PRO A 118 3.620 5.675 -3.050 1.00 1.00 H new ATOM 0 HG2 PRO A 118 3.931 7.818 -5.061 1.00 1.00 H new ATOM 0 HG3 PRO A 118 3.125 7.881 -3.506 1.00 1.00 H new ATOM 0 HD2 PRO A 118 5.708 8.952 -4.146 1.00 1.00 H new ATOM 0 HD3 PRO A 118 4.952 8.911 -2.565 1.00 1.00 H new ATOM 840 N VAL A 119 6.335 4.210 -5.060 1.00 1.00 N ATOM 841 CA VAL A 119 7.075 3.630 -6.167 1.00 1.00 C ATOM 842 C VAL A 119 6.246 3.749 -7.448 1.00 1.00 C ATOM 843 O VAL A 119 6.647 3.252 -8.499 1.00 1.00 O ATOM 844 CB VAL A 119 7.462 2.187 -5.838 1.00 1.00 C ATOM 845 CG1 VAL A 119 7.991 1.464 -7.079 1.00 1.00 C ATOM 846 CG2 VAL A 119 8.483 2.139 -4.699 1.00 1.00 C ATOM 0 H VAL A 119 5.625 3.600 -4.655 1.00 1.00 H new ATOM 0 HA VAL A 119 8.006 4.173 -6.331 1.00 1.00 H new ATOM 0 HB VAL A 119 6.564 1.667 -5.505 1.00 1.00 H new ATOM 0 HG11 VAL A 119 8.259 0.440 -6.817 1.00 1.00 H new ATOM 0 HG12 VAL A 119 7.220 1.452 -7.849 1.00 1.00 H new ATOM 0 HG13 VAL A 119 8.872 1.984 -7.456 1.00 1.00 H new ATOM 0 HG21 VAL A 119 8.741 1.102 -4.485 1.00 1.00 H new ATOM 0 HG22 VAL A 119 9.381 2.683 -4.992 1.00 1.00 H new ATOM 0 HG23 VAL A 119 8.055 2.598 -3.807 1.00 1.00 H new ATOM 856 N SER A 120 5.106 4.411 -7.317 1.00 1.00 N ATOM 857 CA SER A 120 4.217 4.602 -8.450 1.00 1.00 C ATOM 858 C SER A 120 4.158 6.084 -8.825 1.00 1.00 C ATOM 859 O SER A 120 5.078 6.815 -8.397 1.00 1.00 O ATOM 860 CB SER A 120 2.814 4.075 -8.145 1.00 1.00 C ATOM 861 OG SER A 120 2.218 4.752 -7.041 1.00 1.00 O ATOM 862 OXT SER A 120 3.238 6.517 -9.517 1.00 1.00 O ATOM 0 H SER A 120 4.777 4.822 -6.443 1.00 1.00 H new ATOM 0 HA SER A 120 4.612 4.036 -9.294 1.00 1.00 H new ATOM 0 HB2 SER A 120 2.183 4.193 -9.026 1.00 1.00 H new ATOM 0 HB3 SER A 120 2.866 3.008 -7.931 1.00 1.00 H new ATOM 0 HG SER A 120 1.323 4.388 -6.879 1.00 1.00 H new