USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 914 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 51 THR OG1 : rot 4:sc= 1.18 USER MOD Set 1.2: A 64 LYS NZ :NH3+ 156:sc= 0.536 (180deg=-0.141) USER MOD Single : A 8 SER OG : rot 180:sc= 0.0342 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -0.0575 X(o=-0.057,f=0) USER MOD Single : A 13 TYR OH : rot 166:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 171:sc= 0.682 (180deg=0.587) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.0365 K(o=-0.036,f=-0.77) USER MOD Single : A 23 GLN : amide:sc= -0.0202 K(o=-0.02,f=-3.1!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0.928 K(o=0.93,f=-0.22) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.0256 X(o=-0.026,f=-0.34) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 163:sc= 1.18 (180deg=0.956) USER MOD Single : A 47 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0135) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc=-0.00508 USER MOD Single : A 54 ASN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0408) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 78:sc= 0.936 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0.47 K(o=0.47,f=-0.048) USER MOD Single : A 75 THR OG1 : rot 94:sc= 1.27 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot -113:sc= 0.0373 USER MOD Single : A 82 LYS NZ :NH3+ -162:sc= -0.116 (180deg=-0.582) USER MOD Single : A 86 ASN : amide:sc= -0.156 X(o=-0.16,f=-0.16) USER MOD Single : A 87 SER OG : rot 180:sc= -0.369 USER MOD Single : A 97 ASN : amide:sc= 0.509 K(o=0.51,f=-0.67) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= 0.735 K(o=0.74,f=-0.2) USER MOD Single : A 118 SER OG : rot 153:sc= 1.29 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -2.740 8.479 -8.911 1.00 0.00 N ATOM 60 CA GLY A 7 -2.124 9.780 -8.695 1.00 0.00 C ATOM 61 C GLY A 7 -0.625 9.647 -8.467 1.00 0.00 C ATOM 62 O GLY A 7 -0.108 8.532 -8.350 1.00 0.00 O ATOM 0 HA2 GLY A 7 -2.308 10.420 -9.558 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.584 10.265 -7.834 1.00 0.00 H new ATOM 66 N SER A 8 0.059 10.794 -8.378 1.00 0.00 N ATOM 67 CA SER A 8 1.460 10.846 -7.975 1.00 0.00 C ATOM 68 C SER A 8 1.627 10.232 -6.587 1.00 0.00 C ATOM 69 O SER A 8 0.688 10.242 -5.792 1.00 0.00 O ATOM 70 CB SER A 8 1.963 12.292 -7.941 1.00 0.00 C ATOM 71 OG SER A 8 1.772 12.940 -9.183 1.00 0.00 O ATOM 0 H SER A 8 -0.346 11.707 -8.584 1.00 0.00 H new ATOM 0 HA SER A 8 2.042 10.282 -8.704 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.439 12.842 -7.159 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.022 12.303 -7.683 1.00 0.00 H new ATOM 0 HG SER A 8 2.102 13.861 -9.126 1.00 0.00 H new ATOM 77 N ALA A 9 2.843 9.809 -6.251 1.00 0.00 N ATOM 78 CA ALA A 9 3.148 9.110 -5.011 1.00 0.00 C ATOM 79 C ALA A 9 2.580 9.799 -3.778 1.00 0.00 C ATOM 80 O ALA A 9 1.774 9.225 -3.036 1.00 0.00 O ATOM 81 CB ALA A 9 4.659 8.943 -4.890 1.00 0.00 C ATOM 0 H ALA A 9 3.659 9.947 -6.847 1.00 0.00 H new ATOM 0 HA ALA A 9 2.664 8.134 -5.055 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.894 8.420 -3.963 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.030 8.366 -5.737 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.134 9.924 -4.884 1.00 0.00 H new ATOM 87 N LYS A 10 2.967 11.056 -3.548 1.00 0.00 N ATOM 88 CA LYS A 10 2.496 11.755 -2.361 1.00 0.00 C ATOM 89 C LYS A 10 0.999 12.037 -2.406 1.00 0.00 C ATOM 90 O LYS A 10 0.438 12.346 -1.358 1.00 0.00 O ATOM 91 CB LYS A 10 3.212 13.091 -2.167 1.00 0.00 C ATOM 92 CG LYS A 10 4.656 12.900 -1.713 1.00 0.00 C ATOM 93 CD LYS A 10 5.284 14.185 -1.167 1.00 0.00 C ATOM 94 CE LYS A 10 4.554 14.813 0.028 1.00 0.00 C ATOM 95 NZ LYS A 10 5.324 15.932 0.612 1.00 0.00 N ATOM 0 H LYS A 10 3.588 11.594 -4.152 1.00 0.00 H new ATOM 0 HA LYS A 10 2.716 11.085 -1.530 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.196 13.651 -3.102 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.675 13.687 -1.429 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.690 12.129 -0.943 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.251 12.539 -2.552 1.00 0.00 H new ATOM 0 HD2 LYS A 10 6.312 13.972 -0.873 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.328 14.919 -1.972 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.575 15.172 -0.291 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.382 14.053 0.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.800 16.331 1.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.248 15.584 0.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.466 16.669 -0.108 1.00 0.00 H new ATOM 109 N ASN A 11 0.330 11.962 -3.563 1.00 0.00 N ATOM 110 CA ASN A 11 -1.124 12.142 -3.617 1.00 0.00 C ATOM 111 C ASN A 11 -1.810 11.181 -2.656 1.00 0.00 C ATOM 112 O ASN A 11 -2.839 11.549 -2.102 1.00 0.00 O ATOM 113 CB ASN A 11 -1.738 11.951 -5.016 1.00 0.00 C ATOM 114 CG ASN A 11 -3.213 12.362 -4.996 1.00 0.00 C ATOM 115 OD1 ASN A 11 -3.521 13.538 -5.140 1.00 0.00 O ATOM 116 ND2 ASN A 11 -4.141 11.452 -4.743 1.00 0.00 N ATOM 0 H ASN A 11 0.768 11.780 -4.466 1.00 0.00 H new ATOM 0 HA ASN A 11 -1.292 13.181 -3.332 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.194 12.550 -5.747 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.645 10.910 -5.325 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -5.120 11.729 -4.667 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -3.877 10.474 -4.624 1.00 0.00 H new ATOM 123 N ALA A 12 -1.242 9.987 -2.455 1.00 0.00 N ATOM 124 CA ALA A 12 -1.682 9.030 -1.457 1.00 0.00 C ATOM 125 C ALA A 12 -1.132 9.391 -0.070 1.00 0.00 C ATOM 126 O ALA A 12 -1.917 9.685 0.824 1.00 0.00 O ATOM 127 CB ALA A 12 -1.289 7.624 -1.917 1.00 0.00 C ATOM 0 H ALA A 12 -0.444 9.660 -3.000 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.767 9.058 -1.357 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.614 6.894 -1.175 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.766 7.407 -2.873 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.206 7.568 -2.031 1.00 0.00 H new ATOM 133 N TYR A 13 0.194 9.399 0.128 1.00 0.00 N ATOM 134 CA TYR A 13 0.814 9.631 1.446 1.00 0.00 C ATOM 135 C TYR A 13 0.279 10.875 2.153 1.00 0.00 C ATOM 136 O TYR A 13 -0.109 10.774 3.313 1.00 0.00 O ATOM 137 CB TYR A 13 2.333 9.724 1.330 1.00 0.00 C ATOM 138 CG TYR A 13 3.040 10.136 2.609 1.00 0.00 C ATOM 139 CD1 TYR A 13 3.210 11.502 2.905 1.00 0.00 C ATOM 140 CD2 TYR A 13 3.558 9.169 3.484 1.00 0.00 C ATOM 141 CE1 TYR A 13 3.909 11.903 4.049 1.00 0.00 C ATOM 142 CE2 TYR A 13 4.330 9.562 4.592 1.00 0.00 C ATOM 143 CZ TYR A 13 4.504 10.934 4.884 1.00 0.00 C ATOM 144 OH TYR A 13 5.258 11.324 5.951 1.00 0.00 O ATOM 0 H TYR A 13 0.870 9.245 -0.620 1.00 0.00 H new ATOM 0 HA TYR A 13 0.544 8.768 2.055 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.720 8.756 1.012 1.00 0.00 H new ATOM 0 HB3 TYR A 13 2.581 10.440 0.546 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.797 12.248 2.242 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.364 8.122 3.306 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.993 12.952 4.292 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.791 8.814 5.221 1.00 0.00 H new ATOM 0 HH TYR A 13 5.407 10.558 6.544 1.00 0.00 H new ATOM 154 N THR A 14 0.224 12.027 1.479 1.00 0.00 N ATOM 155 CA THR A 14 -0.336 13.232 2.071 1.00 0.00 C ATOM 156 C THR A 14 -1.720 12.982 2.696 1.00 0.00 C ATOM 157 O THR A 14 -2.014 13.524 3.758 1.00 0.00 O ATOM 158 CB THR A 14 -0.362 14.328 0.996 1.00 0.00 C ATOM 159 OG1 THR A 14 0.957 14.625 0.551 1.00 0.00 O ATOM 160 CG2 THR A 14 -0.981 15.609 1.519 1.00 0.00 C ATOM 0 H THR A 14 0.562 12.145 0.524 1.00 0.00 H new ATOM 0 HA THR A 14 0.292 13.559 2.900 1.00 0.00 H new ATOM 0 HB THR A 14 -0.964 13.946 0.172 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.921 15.324 -0.135 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.982 16.361 0.730 1.00 0.00 H new ATOM 0 HG22 THR A 14 -2.006 15.415 1.836 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.401 15.973 2.367 1.00 0.00 H new ATOM 168 N LYS A 15 -2.581 12.185 2.055 1.00 0.00 N ATOM 169 CA LYS A 15 -3.921 11.910 2.565 1.00 0.00 C ATOM 170 C LYS A 15 -3.822 11.104 3.850 1.00 0.00 C ATOM 171 O LYS A 15 -4.449 11.488 4.827 1.00 0.00 O ATOM 172 CB LYS A 15 -4.795 11.193 1.528 1.00 0.00 C ATOM 173 CG LYS A 15 -4.858 11.932 0.185 1.00 0.00 C ATOM 174 CD LYS A 15 -5.687 13.223 0.176 1.00 0.00 C ATOM 175 CE LYS A 15 -5.118 14.231 -0.837 1.00 0.00 C ATOM 176 NZ LYS A 15 -4.938 13.670 -2.196 1.00 0.00 N ATOM 0 H LYS A 15 -2.367 11.717 1.174 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.407 12.862 2.777 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.406 10.188 1.366 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.804 11.084 1.924 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.841 12.173 -0.125 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.267 11.254 -0.564 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.723 12.994 -0.075 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.691 13.665 1.172 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.785 15.092 -0.894 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.157 14.595 -0.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.699 14.435 -2.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.169 12.970 -2.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.820 13.211 -2.502 1.00 0.00 H new ATOM 190 N LEU A 16 -2.992 10.053 3.901 1.00 0.00 N ATOM 191 CA LEU A 16 -2.758 9.300 5.137 1.00 0.00 C ATOM 192 C LEU A 16 -2.385 10.229 6.293 1.00 0.00 C ATOM 193 O LEU A 16 -2.703 9.918 7.439 1.00 0.00 O ATOM 194 CB LEU A 16 -1.605 8.304 4.996 1.00 0.00 C ATOM 195 CG LEU A 16 -1.874 6.942 4.363 1.00 0.00 C ATOM 196 CD1 LEU A 16 -2.372 6.982 2.923 1.00 0.00 C ATOM 197 CD2 LEU A 16 -0.529 6.209 4.399 1.00 0.00 C ATOM 0 H LEU A 16 -2.470 9.705 3.096 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.692 8.776 5.337 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.822 8.788 4.413 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.198 8.129 5.992 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.675 6.457 4.921 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.533 5.965 2.565 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.310 7.535 2.878 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.630 7.474 2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.643 5.218 3.959 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.209 6.775 3.831 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.195 6.111 5.432 1.00 0.00 H new ATOM 209 N GLY A 17 -1.675 11.319 5.996 1.00 0.00 N ATOM 210 CA GLY A 17 -1.171 12.256 6.980 1.00 0.00 C ATOM 211 C GLY A 17 -2.138 13.381 7.337 1.00 0.00 C ATOM 212 O GLY A 17 -1.769 14.233 8.148 1.00 0.00 O ATOM 0 H GLY A 17 -1.433 11.573 5.038 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.919 11.709 7.888 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.246 12.694 6.605 1.00 0.00 H new ATOM 216 N THR A 18 -3.341 13.399 6.757 1.00 0.00 N ATOM 217 CA THR A 18 -4.364 14.420 6.960 1.00 0.00 C ATOM 218 C THR A 18 -5.735 13.768 7.242 1.00 0.00 C ATOM 219 O THR A 18 -6.724 14.459 7.500 1.00 0.00 O ATOM 220 CB THR A 18 -4.326 15.360 5.728 1.00 0.00 C ATOM 221 OG1 THR A 18 -4.517 16.706 6.110 1.00 0.00 O ATOM 222 CG2 THR A 18 -5.327 15.019 4.621 1.00 0.00 C ATOM 0 H THR A 18 -3.638 12.671 6.107 1.00 0.00 H new ATOM 0 HA THR A 18 -4.173 15.027 7.845 1.00 0.00 H new ATOM 0 HB THR A 18 -3.331 15.208 5.310 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.487 17.279 5.315 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.223 15.733 3.804 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.131 14.013 4.251 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.341 15.068 5.019 1.00 0.00 H new ATOM 230 N ASP A 19 -5.811 12.435 7.214 1.00 0.00 N ATOM 231 CA ASP A 19 -7.037 11.654 7.219 1.00 0.00 C ATOM 232 C ASP A 19 -6.911 10.592 8.293 1.00 0.00 C ATOM 233 O ASP A 19 -6.214 9.588 8.117 1.00 0.00 O ATOM 234 CB ASP A 19 -7.262 11.023 5.846 1.00 0.00 C ATOM 235 CG ASP A 19 -8.683 10.510 5.634 1.00 0.00 C ATOM 236 OD1 ASP A 19 -9.250 9.803 6.497 1.00 0.00 O ATOM 237 OD2 ASP A 19 -9.234 10.826 4.552 1.00 0.00 O ATOM 0 H ASP A 19 -4.976 11.849 7.186 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.896 12.290 7.432 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -7.032 11.759 5.075 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.563 10.196 5.717 1.00 0.00 H new ATOM 242 N ASP A 20 -7.556 10.831 9.432 1.00 0.00 N ATOM 243 CA ASP A 20 -7.490 9.931 10.581 1.00 0.00 C ATOM 244 C ASP A 20 -8.177 8.594 10.303 1.00 0.00 C ATOM 245 O ASP A 20 -8.072 7.682 11.126 1.00 0.00 O ATOM 246 CB ASP A 20 -8.078 10.594 11.832 1.00 0.00 C ATOM 247 CG ASP A 20 -7.034 11.493 12.478 1.00 0.00 C ATOM 248 OD1 ASP A 20 -6.117 10.959 13.141 1.00 0.00 O ATOM 249 OD2 ASP A 20 -7.089 12.722 12.255 1.00 0.00 O ATOM 0 H ASP A 20 -8.139 11.654 9.585 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.436 9.722 10.764 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.959 11.178 11.565 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.403 9.832 12.540 1.00 0.00 H new ATOM 254 N ASN A 21 -8.849 8.440 9.160 1.00 0.00 N ATOM 255 CA ASN A 21 -9.437 7.182 8.727 1.00 0.00 C ATOM 256 C ASN A 21 -8.687 6.568 7.545 1.00 0.00 C ATOM 257 O ASN A 21 -8.955 5.412 7.237 1.00 0.00 O ATOM 258 CB ASN A 21 -10.921 7.387 8.361 1.00 0.00 C ATOM 259 CG ASN A 21 -11.901 7.066 9.478 1.00 0.00 C ATOM 260 OD1 ASN A 21 -11.701 6.140 10.265 1.00 0.00 O ATOM 261 ND2 ASN A 21 -13.001 7.793 9.544 1.00 0.00 N ATOM 0 H ASN A 21 -8.999 9.204 8.501 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.358 6.485 9.561 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -11.066 8.423 8.056 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -11.158 6.764 7.498 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -13.703 7.592 10.256 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -13.149 8.556 8.883 1.00 0.00 H new ATOM 268 N ALA A 22 -7.795 7.279 6.845 1.00 0.00 N ATOM 269 CA ALA A 22 -7.100 6.699 5.698 1.00 0.00 C ATOM 270 C ALA A 22 -6.124 5.617 6.169 1.00 0.00 C ATOM 271 O ALA A 22 -5.626 5.674 7.293 1.00 0.00 O ATOM 272 CB ALA A 22 -6.357 7.773 4.908 1.00 0.00 C ATOM 0 H ALA A 22 -7.542 8.245 7.052 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.842 6.248 5.040 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.848 7.314 4.060 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.068 8.516 4.546 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.623 8.257 5.553 1.00 0.00 H new ATOM 278 N GLN A 23 -5.794 4.655 5.306 1.00 0.00 N ATOM 279 CA GLN A 23 -4.950 3.500 5.617 1.00 0.00 C ATOM 280 C GLN A 23 -4.039 3.149 4.432 1.00 0.00 C ATOM 281 O GLN A 23 -4.209 3.683 3.338 1.00 0.00 O ATOM 282 CB GLN A 23 -5.851 2.295 5.929 1.00 0.00 C ATOM 283 CG GLN A 23 -6.359 2.161 7.382 1.00 0.00 C ATOM 284 CD GLN A 23 -5.297 1.733 8.388 1.00 0.00 C ATOM 285 OE1 GLN A 23 -4.438 2.508 8.798 1.00 0.00 O ATOM 286 NE2 GLN A 23 -5.291 0.479 8.808 1.00 0.00 N ATOM 0 H GLN A 23 -6.118 4.658 4.339 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.324 3.746 6.475 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.717 2.339 5.269 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.303 1.387 5.676 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.775 3.118 7.697 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.174 1.437 7.403 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.000 -0.174 8.474 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -4.578 0.165 9.466 1.00 0.00 H new ATOM 295 N LEU A 24 -3.117 2.194 4.622 1.00 0.00 N ATOM 296 CA LEU A 24 -2.202 1.697 3.596 1.00 0.00 C ATOM 297 C LEU A 24 -2.265 0.173 3.526 1.00 0.00 C ATOM 298 O LEU A 24 -2.090 -0.484 4.558 1.00 0.00 O ATOM 299 CB LEU A 24 -0.784 2.154 3.954 1.00 0.00 C ATOM 300 CG LEU A 24 0.254 2.145 2.814 1.00 0.00 C ATOM 301 CD1 LEU A 24 0.517 0.784 2.164 1.00 0.00 C ATOM 302 CD2 LEU A 24 -0.124 3.153 1.727 1.00 0.00 C ATOM 0 H LEU A 24 -2.987 1.735 5.524 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.485 2.092 2.620 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.843 3.167 4.353 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.413 1.517 4.757 1.00 0.00 H new ATOM 0 HG LEU A 24 1.186 2.424 3.306 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.262 0.895 1.376 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.885 0.086 2.916 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.409 0.400 1.736 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.623 3.129 0.933 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.100 2.895 1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.164 4.154 2.157 1.00 0.00 H new ATOM 314 N LEU A 25 -2.529 -0.390 2.346 1.00 0.00 N ATOM 315 CA LEU A 25 -2.506 -1.833 2.105 1.00 0.00 C ATOM 316 C LEU A 25 -1.379 -2.134 1.142 1.00 0.00 C ATOM 317 O LEU A 25 -1.490 -1.934 -0.066 1.00 0.00 O ATOM 318 CB LEU A 25 -3.857 -2.397 1.621 1.00 0.00 C ATOM 319 CG LEU A 25 -4.177 -3.836 2.074 1.00 0.00 C ATOM 320 CD1 LEU A 25 -3.325 -4.920 1.420 1.00 0.00 C ATOM 321 CD2 LEU A 25 -4.039 -4.016 3.578 1.00 0.00 C ATOM 0 H LEU A 25 -2.769 0.154 1.517 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.329 -2.341 3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.652 -1.739 1.972 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.875 -2.365 0.532 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.211 -3.962 1.752 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.623 -5.897 1.801 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.468 -4.893 0.340 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.274 -4.746 1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.275 -5.046 3.844 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.016 -3.789 3.879 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.726 -3.342 4.090 1.00 0.00 H new ATOM 333 N ASP A 26 -0.260 -2.549 1.712 1.00 0.00 N ATOM 334 CA ASP A 26 0.908 -2.971 0.971 1.00 0.00 C ATOM 335 C ASP A 26 0.599 -4.348 0.381 1.00 0.00 C ATOM 336 O ASP A 26 0.565 -5.332 1.129 1.00 0.00 O ATOM 337 CB ASP A 26 2.087 -2.967 1.945 1.00 0.00 C ATOM 338 CG ASP A 26 3.408 -3.118 1.217 1.00 0.00 C ATOM 339 OD1 ASP A 26 3.465 -3.764 0.155 1.00 0.00 O ATOM 340 OD2 ASP A 26 4.403 -2.577 1.741 1.00 0.00 O ATOM 0 H ASP A 26 -0.140 -2.602 2.724 1.00 0.00 H new ATOM 0 HA ASP A 26 1.167 -2.313 0.142 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.088 -2.037 2.514 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.971 -3.779 2.663 1.00 0.00 H new ATOM 345 N ILE A 27 0.254 -4.398 -0.916 1.00 0.00 N ATOM 346 CA ILE A 27 -0.083 -5.623 -1.653 1.00 0.00 C ATOM 347 C ILE A 27 1.156 -6.374 -2.145 1.00 0.00 C ATOM 348 O ILE A 27 1.008 -7.335 -2.911 1.00 0.00 O ATOM 349 CB ILE A 27 -1.092 -5.386 -2.804 1.00 0.00 C ATOM 350 CG1 ILE A 27 -0.554 -4.509 -3.957 1.00 0.00 C ATOM 351 CG2 ILE A 27 -2.446 -4.889 -2.267 1.00 0.00 C ATOM 352 CD1 ILE A 27 -1.328 -4.729 -5.269 1.00 0.00 C ATOM 0 H ILE A 27 0.201 -3.561 -1.496 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.583 -6.263 -0.927 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.251 -6.362 -3.262 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.618 -3.459 -3.672 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.501 -4.732 -4.118 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.132 -4.732 -3.099 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.863 -5.633 -1.588 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.303 -3.950 -1.733 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.912 -4.090 -6.048 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.242 -5.773 -5.571 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.378 -4.480 -5.118 1.00 0.00 H new ATOM 364 N ARG A 28 2.364 -5.934 -1.784 1.00 0.00 N ATOM 365 CA ARG A 28 3.583 -6.533 -2.304 1.00 0.00 C ATOM 366 C ARG A 28 3.766 -7.936 -1.730 1.00 0.00 C ATOM 367 O ARG A 28 3.167 -8.319 -0.718 1.00 0.00 O ATOM 368 CB ARG A 28 4.778 -5.615 -2.009 1.00 0.00 C ATOM 369 CG ARG A 28 4.592 -4.246 -2.695 1.00 0.00 C ATOM 370 CD ARG A 28 5.762 -3.286 -2.492 1.00 0.00 C ATOM 371 NE ARG A 28 5.927 -3.031 -1.062 1.00 0.00 N ATOM 372 CZ ARG A 28 7.051 -3.070 -0.353 1.00 0.00 C ATOM 373 NH1 ARG A 28 8.240 -3.317 -0.888 1.00 0.00 N ATOM 374 NH2 ARG A 28 6.967 -2.879 0.947 1.00 0.00 N ATOM 0 H ARG A 28 2.518 -5.164 -1.133 1.00 0.00 H new ATOM 0 HA ARG A 28 3.513 -6.639 -3.387 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.881 -5.478 -0.933 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.698 -6.082 -2.360 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.446 -4.403 -3.764 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.683 -3.781 -2.314 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.675 -3.713 -2.906 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.578 -2.351 -3.022 1.00 0.00 H new ATOM 0 HE ARG A 28 5.079 -2.795 -0.547 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.323 -3.489 -1.890 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.071 -3.335 -0.297 1.00 0.00 H new ATOM 0 HH21 ARG A 28 6.059 -2.708 1.380 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.810 -2.902 1.521 1.00 0.00 H new ATOM 388 N ALA A 29 4.624 -8.701 -2.400 1.00 0.00 N ATOM 389 CA ALA A 29 5.042 -10.046 -2.046 1.00 0.00 C ATOM 390 C ALA A 29 5.564 -10.087 -0.612 1.00 0.00 C ATOM 391 O ALA A 29 6.155 -9.116 -0.150 1.00 0.00 O ATOM 392 CB ALA A 29 6.142 -10.431 -3.035 1.00 0.00 C ATOM 0 H ALA A 29 5.071 -8.374 -3.257 1.00 0.00 H new ATOM 0 HA ALA A 29 4.207 -10.745 -2.098 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.494 -11.438 -2.813 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.746 -10.400 -4.050 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.972 -9.729 -2.948 1.00 0.00 H new ATOM 398 N THR A 30 5.445 -11.210 0.096 1.00 0.00 N ATOM 399 CA THR A 30 5.956 -11.269 1.467 1.00 0.00 C ATOM 400 C THR A 30 7.484 -11.076 1.508 1.00 0.00 C ATOM 401 O THR A 30 8.017 -10.503 2.458 1.00 0.00 O ATOM 402 CB THR A 30 5.541 -12.586 2.118 1.00 0.00 C ATOM 403 OG1 THR A 30 4.143 -12.767 2.031 1.00 0.00 O ATOM 404 CG2 THR A 30 5.939 -12.638 3.590 1.00 0.00 C ATOM 0 H THR A 30 5.012 -12.069 -0.243 1.00 0.00 H new ATOM 0 HA THR A 30 5.519 -10.448 2.036 1.00 0.00 H new ATOM 0 HB THR A 30 6.059 -13.379 1.578 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.896 -13.617 2.452 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.627 -13.591 4.018 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.021 -12.538 3.678 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.454 -11.823 4.127 1.00 0.00 H new ATOM 412 N ALA A 31 8.196 -11.488 0.456 1.00 0.00 N ATOM 413 CA ALA A 31 9.623 -11.252 0.341 1.00 0.00 C ATOM 414 C ALA A 31 9.959 -9.775 0.144 1.00 0.00 C ATOM 415 O ALA A 31 11.100 -9.384 0.376 1.00 0.00 O ATOM 416 CB ALA A 31 10.190 -12.051 -0.821 1.00 0.00 C ATOM 0 H ALA A 31 7.794 -11.993 -0.334 1.00 0.00 H new ATOM 0 HA ALA A 31 10.073 -11.573 1.280 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.262 -11.868 -0.900 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.015 -13.113 -0.652 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.701 -11.745 -1.746 1.00 0.00 H new ATOM 422 N ASP A 32 9.013 -8.940 -0.278 1.00 0.00 N ATOM 423 CA ASP A 32 9.285 -7.528 -0.527 1.00 0.00 C ATOM 424 C ASP A 32 9.623 -6.824 0.780 1.00 0.00 C ATOM 425 O ASP A 32 10.589 -6.068 0.850 1.00 0.00 O ATOM 426 CB ASP A 32 8.142 -6.870 -1.302 1.00 0.00 C ATOM 427 CG ASP A 32 8.664 -6.375 -2.640 1.00 0.00 C ATOM 428 OD1 ASP A 32 9.054 -7.248 -3.455 1.00 0.00 O ATOM 429 OD2 ASP A 32 8.674 -5.145 -2.828 1.00 0.00 O ATOM 0 H ASP A 32 8.048 -9.219 -0.455 1.00 0.00 H new ATOM 0 HA ASP A 32 10.160 -7.436 -1.170 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.333 -7.584 -1.456 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.730 -6.039 -0.729 1.00 0.00 H new ATOM 434 N PHE A 33 8.956 -7.206 1.870 1.00 0.00 N ATOM 435 CA PHE A 33 9.257 -6.764 3.229 1.00 0.00 C ATOM 436 C PHE A 33 10.633 -7.256 3.720 1.00 0.00 C ATOM 437 O PHE A 33 11.073 -6.858 4.801 1.00 0.00 O ATOM 438 CB PHE A 33 8.124 -7.202 4.172 1.00 0.00 C ATOM 439 CG PHE A 33 6.739 -6.857 3.651 1.00 0.00 C ATOM 440 CD1 PHE A 33 6.106 -7.723 2.746 1.00 0.00 C ATOM 441 CD2 PHE A 33 6.127 -5.630 3.961 1.00 0.00 C ATOM 442 CE1 PHE A 33 4.915 -7.362 2.110 1.00 0.00 C ATOM 443 CE2 PHE A 33 4.911 -5.278 3.352 1.00 0.00 C ATOM 444 CZ PHE A 33 4.312 -6.136 2.411 1.00 0.00 C ATOM 0 H PHE A 33 8.167 -7.852 1.828 1.00 0.00 H new ATOM 0 HA PHE A 33 9.317 -5.676 3.228 1.00 0.00 H new ATOM 0 HB2 PHE A 33 8.187 -8.279 4.329 1.00 0.00 H new ATOM 0 HB3 PHE A 33 8.267 -6.729 5.144 1.00 0.00 H new ATOM 0 HD1 PHE A 33 6.547 -8.686 2.537 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.592 -4.958 4.667 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.462 -8.027 1.389 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.433 -4.344 3.607 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.392 -5.850 1.924 1.00 0.00 H new ATOM 454 N ARG A 34 11.327 -8.103 2.949 1.00 0.00 N ATOM 455 CA ARG A 34 12.640 -8.665 3.249 1.00 0.00 C ATOM 456 C ARG A 34 13.705 -8.145 2.281 1.00 0.00 C ATOM 457 O ARG A 34 14.866 -8.040 2.675 1.00 0.00 O ATOM 458 CB ARG A 34 12.570 -10.203 3.181 1.00 0.00 C ATOM 459 CG ARG A 34 11.296 -10.798 3.802 1.00 0.00 C ATOM 460 CD ARG A 34 11.308 -12.325 3.836 1.00 0.00 C ATOM 461 NE ARG A 34 10.128 -12.823 4.559 1.00 0.00 N ATOM 462 CZ ARG A 34 9.731 -14.086 4.744 1.00 0.00 C ATOM 463 NH1 ARG A 34 10.356 -15.112 4.166 1.00 0.00 N ATOM 464 NH2 ARG A 34 8.697 -14.295 5.545 1.00 0.00 N ATOM 0 H ARG A 34 10.964 -8.429 2.053 1.00 0.00 H new ATOM 0 HA ARG A 34 12.924 -8.354 4.254 1.00 0.00 H new ATOM 0 HB2 ARG A 34 12.633 -10.514 2.138 1.00 0.00 H new ATOM 0 HB3 ARG A 34 13.439 -10.619 3.691 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.181 -10.418 4.817 1.00 0.00 H new ATOM 0 HG3 ARG A 34 10.429 -10.459 3.235 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.315 -12.719 2.820 1.00 0.00 H new ATOM 0 HD3 ARG A 34 12.218 -12.679 4.321 1.00 0.00 H new ATOM 0 HE ARG A 34 9.532 -12.108 4.976 1.00 0.00 H new ATOM 0 HH11 ARG A 34 11.161 -14.944 3.563 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.029 -16.065 4.327 1.00 0.00 H new ATOM 0 HH21 ARG A 34 8.233 -13.506 5.996 1.00 0.00 H new ATOM 0 HH22 ARG A 34 8.364 -15.245 5.711 1.00 0.00 H new ATOM 478 N GLN A 35 13.344 -7.805 1.039 1.00 0.00 N ATOM 479 CA GLN A 35 14.282 -7.405 -0.015 1.00 0.00 C ATOM 480 C GLN A 35 14.240 -5.906 -0.318 1.00 0.00 C ATOM 481 O GLN A 35 15.202 -5.376 -0.870 1.00 0.00 O ATOM 482 CB GLN A 35 14.054 -8.260 -1.273 1.00 0.00 C ATOM 483 CG GLN A 35 12.966 -7.756 -2.235 1.00 0.00 C ATOM 484 CD GLN A 35 12.645 -8.732 -3.367 1.00 0.00 C ATOM 485 OE1 GLN A 35 13.493 -9.512 -3.798 1.00 0.00 O ATOM 486 NE2 GLN A 35 11.430 -8.728 -3.888 1.00 0.00 N ATOM 0 H GLN A 35 12.371 -7.800 0.732 1.00 0.00 H new ATOM 0 HA GLN A 35 15.291 -7.592 0.353 1.00 0.00 H new ATOM 0 HB2 GLN A 35 14.994 -8.326 -1.820 1.00 0.00 H new ATOM 0 HB3 GLN A 35 13.796 -9.272 -0.960 1.00 0.00 H new ATOM 0 HG2 GLN A 35 12.056 -7.559 -1.669 1.00 0.00 H new ATOM 0 HG3 GLN A 35 13.286 -6.807 -2.665 1.00 0.00 H new ATOM 0 HE21 GLN A 35 10.725 -8.082 -3.533 1.00 0.00 H new ATOM 0 HE22 GLN A 35 11.198 -9.371 -4.645 1.00 0.00 H new ATOM 495 N VAL A 36 13.164 -5.232 0.084 1.00 0.00 N ATOM 496 CA VAL A 36 12.940 -3.790 -0.035 1.00 0.00 C ATOM 497 C VAL A 36 12.667 -3.199 1.360 1.00 0.00 C ATOM 498 O VAL A 36 13.171 -2.126 1.702 1.00 0.00 O ATOM 499 CB VAL A 36 11.762 -3.503 -0.996 1.00 0.00 C ATOM 500 CG1 VAL A 36 11.709 -2.030 -1.416 1.00 0.00 C ATOM 501 CG2 VAL A 36 11.792 -4.345 -2.277 1.00 0.00 C ATOM 0 H VAL A 36 12.377 -5.705 0.528 1.00 0.00 H new ATOM 0 HA VAL A 36 13.831 -3.319 -0.450 1.00 0.00 H new ATOM 0 HB VAL A 36 10.878 -3.771 -0.418 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.867 -1.874 -2.090 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.587 -1.404 -0.532 1.00 0.00 H new ATOM 0 HG13 VAL A 36 12.635 -1.763 -1.925 1.00 0.00 H new ATOM 0 HG21 VAL A 36 10.936 -4.089 -2.901 1.00 0.00 H new ATOM 0 HG22 VAL A 36 12.713 -4.143 -2.824 1.00 0.00 H new ATOM 0 HG23 VAL A 36 11.749 -5.403 -2.018 1.00 0.00 H new ATOM 511 N GLY A 37 11.919 -3.918 2.206 1.00 0.00 N ATOM 512 CA GLY A 37 11.377 -3.424 3.465 1.00 0.00 C ATOM 513 C GLY A 37 9.947 -2.940 3.260 1.00 0.00 C ATOM 514 O GLY A 37 9.327 -3.305 2.266 1.00 0.00 O ATOM 0 H GLY A 37 11.670 -4.890 2.022 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.399 -4.214 4.215 1.00 0.00 H new ATOM 0 HA3 GLY A 37 11.995 -2.609 3.842 1.00 0.00 H new ATOM 518 N SER A 38 9.413 -2.156 4.197 1.00 0.00 N ATOM 519 CA SER A 38 8.025 -1.679 4.191 1.00 0.00 C ATOM 520 C SER A 38 7.964 -0.151 4.117 1.00 0.00 C ATOM 521 O SER A 38 8.915 0.484 4.575 1.00 0.00 O ATOM 522 CB SER A 38 7.310 -2.145 5.471 1.00 0.00 C ATOM 523 OG SER A 38 7.853 -3.329 6.041 1.00 0.00 O ATOM 0 H SER A 38 9.945 -1.826 5.002 1.00 0.00 H new ATOM 0 HA SER A 38 7.532 -2.092 3.311 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.354 -1.345 6.210 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.257 -2.313 5.245 1.00 0.00 H new ATOM 0 HG SER A 38 7.351 -3.563 6.849 1.00 0.00 H new ATOM 529 N PRO A 39 6.851 0.457 3.676 1.00 0.00 N ATOM 530 CA PRO A 39 6.649 1.892 3.799 1.00 0.00 C ATOM 531 C PRO A 39 6.486 2.260 5.273 1.00 0.00 C ATOM 532 O PRO A 39 5.921 1.489 6.055 1.00 0.00 O ATOM 533 CB PRO A 39 5.391 2.199 2.982 1.00 0.00 C ATOM 534 CG PRO A 39 4.584 0.906 3.100 1.00 0.00 C ATOM 535 CD PRO A 39 5.667 -0.171 3.110 1.00 0.00 C ATOM 0 HA PRO A 39 7.492 2.475 3.429 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.846 3.053 3.384 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.630 2.433 1.945 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.985 0.885 4.010 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.897 0.781 2.263 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.358 -1.030 3.706 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.863 -0.537 2.102 1.00 0.00 H new ATOM 543 N ASN A 40 6.982 3.430 5.681 1.00 0.00 N ATOM 544 CA ASN A 40 6.814 3.923 7.046 1.00 0.00 C ATOM 545 C ASN A 40 5.653 4.890 7.044 1.00 0.00 C ATOM 546 O ASN A 40 5.671 5.848 6.283 1.00 0.00 O ATOM 547 CB ASN A 40 8.089 4.617 7.531 1.00 0.00 C ATOM 548 CG ASN A 40 7.885 5.347 8.851 1.00 0.00 C ATOM 549 OD1 ASN A 40 7.408 6.477 8.887 1.00 0.00 O ATOM 550 ND2 ASN A 40 8.217 4.730 9.970 1.00 0.00 N ATOM 0 H ASN A 40 7.509 4.059 5.075 1.00 0.00 H new ATOM 0 HA ASN A 40 6.617 3.093 7.725 1.00 0.00 H new ATOM 0 HB2 ASN A 40 8.881 3.877 7.647 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.424 5.327 6.774 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.077 5.193 10.868 1.00 0.00 H new ATOM 0 HD22 ASN A 40 8.613 3.791 9.936 1.00 0.00 H new ATOM 557 N ILE A 41 4.655 4.659 7.891 1.00 0.00 N ATOM 558 CA ILE A 41 3.534 5.584 8.045 1.00 0.00 C ATOM 559 C ILE A 41 3.127 5.771 9.513 1.00 0.00 C ATOM 560 O ILE A 41 2.069 6.323 9.798 1.00 0.00 O ATOM 561 CB ILE A 41 2.363 5.169 7.134 1.00 0.00 C ATOM 562 CG1 ILE A 41 1.830 3.748 7.419 1.00 0.00 C ATOM 563 CG2 ILE A 41 2.755 5.323 5.654 1.00 0.00 C ATOM 564 CD1 ILE A 41 0.299 3.748 7.376 1.00 0.00 C ATOM 0 H ILE A 41 4.599 3.833 8.486 1.00 0.00 H new ATOM 0 HA ILE A 41 3.861 6.571 7.717 1.00 0.00 H new ATOM 0 HB ILE A 41 1.540 5.846 7.363 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.223 3.048 6.682 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.175 3.410 8.396 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.917 5.026 5.023 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.011 6.363 5.452 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.615 4.689 5.438 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.071 2.743 7.578 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.086 4.434 8.130 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.037 4.067 6.389 1.00 0.00 H new ATOM 576 N LYS A 42 3.927 5.285 10.470 1.00 0.00 N ATOM 577 CA LYS A 42 3.540 5.292 11.882 1.00 0.00 C ATOM 578 C LYS A 42 3.454 6.707 12.465 1.00 0.00 C ATOM 579 O LYS A 42 2.715 6.915 13.429 1.00 0.00 O ATOM 580 CB LYS A 42 4.455 4.339 12.682 1.00 0.00 C ATOM 581 CG LYS A 42 3.694 3.361 13.597 1.00 0.00 C ATOM 582 CD LYS A 42 3.007 3.971 14.826 1.00 0.00 C ATOM 583 CE LYS A 42 3.948 4.745 15.759 1.00 0.00 C ATOM 584 NZ LYS A 42 5.031 3.912 16.322 1.00 0.00 N ATOM 0 H LYS A 42 4.847 4.882 10.290 1.00 0.00 H new ATOM 0 HA LYS A 42 2.523 4.909 11.966 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.066 3.767 11.984 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.138 4.933 13.290 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.937 2.853 13.000 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.394 2.599 13.940 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.216 4.641 14.490 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.528 3.173 15.393 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.388 5.578 15.210 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.367 5.173 16.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.630 4.494 16.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.619 3.132 16.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.608 3.524 15.549 1.00 0.00 H new ATOM 598 N GLY A 43 4.119 7.701 11.877 1.00 0.00 N ATOM 599 CA GLY A 43 3.929 9.104 12.225 1.00 0.00 C ATOM 600 C GLY A 43 2.615 9.657 11.675 1.00 0.00 C ATOM 601 O GLY A 43 2.168 10.705 12.137 1.00 0.00 O ATOM 0 H GLY A 43 4.809 7.552 11.141 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.943 9.214 13.309 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.761 9.690 11.835 1.00 0.00 H new ATOM 605 N LEU A 44 1.982 8.959 10.727 1.00 0.00 N ATOM 606 CA LEU A 44 0.659 9.249 10.173 1.00 0.00 C ATOM 607 C LEU A 44 -0.440 8.520 10.953 1.00 0.00 C ATOM 608 O LEU A 44 -1.572 8.423 10.475 1.00 0.00 O ATOM 609 CB LEU A 44 0.553 8.860 8.685 1.00 0.00 C ATOM 610 CG LEU A 44 1.777 9.144 7.808 1.00 0.00 C ATOM 611 CD1 LEU A 44 1.469 8.744 6.370 1.00 0.00 C ATOM 612 CD2 LEU A 44 2.208 10.607 7.841 1.00 0.00 C ATOM 0 H LEU A 44 2.403 8.132 10.304 1.00 0.00 H new ATOM 0 HA LEU A 44 0.522 10.327 10.263 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.334 7.794 8.627 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.301 9.385 8.257 1.00 0.00 H new ATOM 0 HG LEU A 44 2.603 8.556 8.210 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.337 8.945 5.743 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.231 7.681 6.331 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.618 9.320 6.006 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.079 10.744 7.201 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.392 11.235 7.483 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.461 10.889 8.863 1.00 0.00 H new ATOM 624 N GLY A 45 -0.122 7.958 12.123 1.00 0.00 N ATOM 625 CA GLY A 45 -1.128 7.520 13.079 1.00 0.00 C ATOM 626 C GLY A 45 -1.145 6.024 13.321 1.00 0.00 C ATOM 627 O GLY A 45 -1.753 5.590 14.300 1.00 0.00 O ATOM 0 H GLY A 45 0.838 7.797 12.428 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.957 8.028 14.028 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.111 7.830 12.724 1.00 0.00 H new ATOM 631 N LYS A 46 -0.547 5.227 12.430 1.00 0.00 N ATOM 632 CA LYS A 46 -0.753 3.782 12.339 1.00 0.00 C ATOM 633 C LYS A 46 0.219 3.169 11.344 1.00 0.00 C ATOM 634 O LYS A 46 0.880 3.880 10.602 1.00 0.00 O ATOM 635 CB LYS A 46 -2.201 3.448 11.931 1.00 0.00 C ATOM 636 CG LYS A 46 -2.948 4.456 11.045 1.00 0.00 C ATOM 637 CD LYS A 46 -2.240 4.848 9.739 1.00 0.00 C ATOM 638 CE LYS A 46 -3.142 5.602 8.752 1.00 0.00 C ATOM 639 NZ LYS A 46 -3.626 6.924 9.219 1.00 0.00 N ATOM 0 H LYS A 46 0.111 5.580 11.735 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.569 3.358 13.326 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.190 2.490 11.411 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.782 3.309 12.843 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.924 4.040 10.797 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.126 5.361 11.626 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.376 5.469 9.976 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.861 3.947 9.256 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.595 5.742 7.820 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.005 4.977 8.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.973 7.473 8.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.399 6.789 9.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.846 7.438 9.676 1.00 0.00 H new ATOM 653 N LYS A 47 0.348 1.850 11.348 1.00 0.00 N ATOM 654 CA LYS A 47 1.256 1.099 10.491 1.00 0.00 C ATOM 655 C LYS A 47 0.529 0.645 9.226 1.00 0.00 C ATOM 656 O LYS A 47 -0.701 0.544 9.227 1.00 0.00 O ATOM 657 CB LYS A 47 1.809 -0.088 11.308 1.00 0.00 C ATOM 658 CG LYS A 47 3.197 -0.523 10.829 1.00 0.00 C ATOM 659 CD LYS A 47 4.295 0.494 11.194 1.00 0.00 C ATOM 660 CE LYS A 47 4.959 0.231 12.552 1.00 0.00 C ATOM 661 NZ LYS A 47 5.839 -0.948 12.537 1.00 0.00 N ATOM 0 H LYS A 47 -0.196 1.252 11.970 1.00 0.00 H new ATOM 0 HA LYS A 47 2.091 1.720 10.165 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.860 0.190 12.361 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.121 -0.930 11.234 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.442 -1.490 11.268 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.178 -0.659 9.748 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.060 0.482 10.418 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.863 1.495 11.200 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.538 1.107 12.844 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.186 0.093 13.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.351 -1.010 13.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.267 -1.806 12.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.522 -0.862 11.757 1.00 0.00 H new ATOM 675 N ALA A 48 1.266 0.377 8.146 1.00 0.00 N ATOM 676 CA ALA A 48 0.715 -0.233 6.943 1.00 0.00 C ATOM 677 C ALA A 48 0.409 -1.703 7.230 1.00 0.00 C ATOM 678 O ALA A 48 1.233 -2.408 7.824 1.00 0.00 O ATOM 679 CB ALA A 48 1.708 -0.102 5.782 1.00 0.00 C ATOM 0 H ALA A 48 2.264 0.579 8.085 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.205 0.277 6.657 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.286 -0.561 4.888 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.905 0.953 5.589 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.640 -0.604 6.042 1.00 0.00 H new ATOM 685 N VAL A 49 -0.766 -2.168 6.817 1.00 0.00 N ATOM 686 CA VAL A 49 -1.093 -3.585 6.795 1.00 0.00 C ATOM 687 C VAL A 49 -0.374 -4.186 5.579 1.00 0.00 C ATOM 688 O VAL A 49 -0.207 -3.511 4.562 1.00 0.00 O ATOM 689 CB VAL A 49 -2.622 -3.751 6.696 1.00 0.00 C ATOM 690 CG1 VAL A 49 -3.037 -5.222 6.577 1.00 0.00 C ATOM 691 CG2 VAL A 49 -3.393 -3.168 7.886 1.00 0.00 C ATOM 0 H VAL A 49 -1.521 -1.567 6.487 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.771 -4.097 7.702 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.880 -3.194 5.795 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.123 -5.289 6.510 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.591 -5.655 5.682 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.693 -5.769 7.455 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.462 -3.326 7.740 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.075 -3.664 8.803 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.191 -2.100 7.962 1.00 0.00 H new ATOM 701 N SER A 50 -0.010 -5.468 5.652 1.00 0.00 N ATOM 702 CA SER A 50 0.574 -6.209 4.544 1.00 0.00 C ATOM 703 C SER A 50 -0.185 -7.515 4.305 1.00 0.00 C ATOM 704 O SER A 50 -0.589 -8.232 5.231 1.00 0.00 O ATOM 705 CB SER A 50 2.062 -6.464 4.798 1.00 0.00 C ATOM 706 OG SER A 50 2.317 -6.814 6.154 1.00 0.00 O ATOM 0 H SER A 50 -0.117 -6.025 6.500 1.00 0.00 H new ATOM 0 HA SER A 50 0.487 -5.608 3.639 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.410 -7.264 4.145 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.632 -5.572 4.540 1.00 0.00 H new ATOM 0 HG SER A 50 3.277 -6.971 6.277 1.00 0.00 H new ATOM 712 N THR A 51 -0.379 -7.836 3.035 1.00 0.00 N ATOM 713 CA THR A 51 -0.806 -9.109 2.463 1.00 0.00 C ATOM 714 C THR A 51 -0.302 -9.021 1.025 1.00 0.00 C ATOM 715 O THR A 51 -0.236 -7.921 0.500 1.00 0.00 O ATOM 716 CB THR A 51 -2.347 -9.193 2.542 1.00 0.00 C ATOM 717 OG1 THR A 51 -2.700 -9.201 3.909 1.00 0.00 O ATOM 718 CG2 THR A 51 -2.995 -10.405 1.862 1.00 0.00 C ATOM 0 H THR A 51 -0.226 -7.142 2.303 1.00 0.00 H new ATOM 0 HA THR A 51 -0.426 -9.997 2.969 1.00 0.00 H new ATOM 0 HB THR A 51 -2.724 -8.331 1.992 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.895 -9.087 4.456 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.077 -10.355 1.984 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.749 -10.401 0.800 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.621 -11.321 2.318 1.00 0.00 H new ATOM 726 N VAL A 52 -0.038 -10.106 0.319 1.00 0.00 N ATOM 727 CA VAL A 52 0.185 -10.039 -1.120 1.00 0.00 C ATOM 728 C VAL A 52 -1.156 -10.256 -1.829 1.00 0.00 C ATOM 729 O VAL A 52 -1.858 -11.230 -1.533 1.00 0.00 O ATOM 730 CB VAL A 52 1.333 -10.984 -1.500 1.00 0.00 C ATOM 731 CG1 VAL A 52 1.151 -12.391 -0.944 1.00 0.00 C ATOM 732 CG2 VAL A 52 1.617 -11.002 -3.006 1.00 0.00 C ATOM 0 H VAL A 52 0.028 -11.044 0.715 1.00 0.00 H new ATOM 0 HA VAL A 52 0.526 -9.060 -1.457 1.00 0.00 H new ATOM 0 HB VAL A 52 2.219 -10.569 -1.019 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.994 -13.013 -1.246 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.102 -12.349 0.144 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.227 -12.819 -1.332 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.438 -11.688 -3.213 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.726 -11.331 -3.540 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.889 -10.000 -3.337 1.00 0.00 H new ATOM 742 N TYR A 53 -1.565 -9.316 -2.691 1.00 0.00 N ATOM 743 CA TYR A 53 -2.673 -9.567 -3.612 1.00 0.00 C ATOM 744 C TYR A 53 -2.142 -10.548 -4.648 1.00 0.00 C ATOM 745 O TYR A 53 -0.991 -10.439 -5.077 1.00 0.00 O ATOM 746 CB TYR A 53 -3.140 -8.289 -4.337 1.00 0.00 C ATOM 747 CG TYR A 53 -4.113 -8.529 -5.495 1.00 0.00 C ATOM 748 CD1 TYR A 53 -5.301 -9.255 -5.293 1.00 0.00 C ATOM 749 CD2 TYR A 53 -3.818 -8.064 -6.793 1.00 0.00 C ATOM 750 CE1 TYR A 53 -6.197 -9.484 -6.354 1.00 0.00 C ATOM 751 CE2 TYR A 53 -4.695 -8.316 -7.867 1.00 0.00 C ATOM 752 CZ TYR A 53 -5.899 -9.016 -7.654 1.00 0.00 C ATOM 753 OH TYR A 53 -6.747 -9.269 -8.694 1.00 0.00 O ATOM 0 H TYR A 53 -1.150 -8.388 -2.767 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.530 -9.947 -3.056 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.616 -7.629 -3.611 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.265 -7.764 -4.719 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.529 -9.642 -4.311 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -2.909 -7.508 -6.966 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.117 -10.020 -6.174 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.443 -7.971 -8.859 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.386 -8.873 -9.514 1.00 0.00 H new ATOM 763 N ASN A 54 -2.981 -11.482 -5.079 1.00 0.00 N ATOM 764 CA ASN A 54 -2.673 -12.344 -6.220 1.00 0.00 C ATOM 765 C ASN A 54 -3.971 -12.505 -6.975 1.00 0.00 C ATOM 766 O ASN A 54 -4.932 -13.030 -6.417 1.00 0.00 O ATOM 767 CB ASN A 54 -2.145 -13.745 -5.846 1.00 0.00 C ATOM 768 CG ASN A 54 -0.954 -13.757 -4.902 1.00 0.00 C ATOM 769 OD1 ASN A 54 -1.170 -13.500 -3.625 1.00 0.00 O flip ATOM 770 ND2 ASN A 54 0.164 -14.059 -5.307 1.00 0.00 N flip ATOM 0 H ASN A 54 -3.889 -11.665 -4.652 1.00 0.00 H new ATOM 0 HA ASN A 54 -1.873 -11.877 -6.794 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.956 -14.311 -5.389 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.868 -14.268 -6.762 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.312 -14.254 -6.297 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.945 -14.115 -4.654 1.00 0.00 H new ATOM 777 N GLY A 55 -4.031 -12.093 -8.236 1.00 0.00 N ATOM 778 CA GLY A 55 -5.249 -12.184 -9.028 1.00 0.00 C ATOM 779 C GLY A 55 -5.645 -13.615 -9.387 1.00 0.00 C ATOM 780 O GLY A 55 -6.534 -13.791 -10.218 1.00 0.00 O ATOM 0 H GLY A 55 -3.239 -11.688 -8.736 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.066 -11.718 -8.476 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.118 -11.612 -9.946 1.00 0.00 H new ATOM 784 N GLU A 56 -4.982 -14.621 -8.818 1.00 0.00 N ATOM 785 CA GLU A 56 -5.393 -16.010 -8.817 1.00 0.00 C ATOM 786 C GLU A 56 -6.632 -16.156 -7.925 1.00 0.00 C ATOM 787 O GLU A 56 -7.747 -16.313 -8.418 1.00 0.00 O ATOM 788 CB GLU A 56 -4.218 -16.860 -8.300 1.00 0.00 C ATOM 789 CG GLU A 56 -4.501 -18.352 -8.400 1.00 0.00 C ATOM 790 CD GLU A 56 -4.389 -18.836 -9.836 1.00 0.00 C ATOM 791 OE1 GLU A 56 -3.260 -18.821 -10.369 1.00 0.00 O ATOM 792 OE2 GLU A 56 -5.421 -19.211 -10.437 1.00 0.00 O ATOM 0 H GLU A 56 -4.102 -14.474 -8.323 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.654 -16.351 -9.819 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.321 -16.623 -8.872 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.012 -16.600 -7.262 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.799 -18.901 -7.772 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.501 -18.562 -8.019 1.00 0.00 H new ATOM 799 N ASP A 57 -6.427 -16.132 -6.610 1.00 0.00 N ATOM 800 CA ASP A 57 -7.404 -16.400 -5.567 1.00 0.00 C ATOM 801 C ASP A 57 -8.047 -15.079 -5.170 1.00 0.00 C ATOM 802 O ASP A 57 -7.831 -14.558 -4.077 1.00 0.00 O ATOM 803 CB ASP A 57 -6.775 -17.167 -4.378 1.00 0.00 C ATOM 804 CG ASP A 57 -5.516 -16.575 -3.736 1.00 0.00 C ATOM 805 OD1 ASP A 57 -4.697 -15.936 -4.444 1.00 0.00 O ATOM 806 OD2 ASP A 57 -5.210 -16.890 -2.567 1.00 0.00 O ATOM 0 H ASP A 57 -5.510 -15.909 -6.223 1.00 0.00 H new ATOM 0 HA ASP A 57 -8.185 -17.064 -5.938 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.534 -17.263 -3.602 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.536 -18.175 -4.717 1.00 0.00 H new ATOM 811 N LYS A 58 -8.860 -14.530 -6.080 1.00 0.00 N ATOM 812 CA LYS A 58 -9.647 -13.308 -5.877 1.00 0.00 C ATOM 813 C LYS A 58 -10.388 -13.256 -4.533 1.00 0.00 C ATOM 814 O LYS A 58 -10.157 -12.316 -3.774 1.00 0.00 O ATOM 815 CB LYS A 58 -10.618 -13.076 -7.051 1.00 0.00 C ATOM 816 CG LYS A 58 -10.050 -12.401 -8.303 1.00 0.00 C ATOM 817 CD LYS A 58 -9.668 -10.927 -8.076 1.00 0.00 C ATOM 818 CE LYS A 58 -9.765 -10.076 -9.353 1.00 0.00 C ATOM 819 NZ LYS A 58 -9.157 -10.709 -10.548 1.00 0.00 N ATOM 0 H LYS A 58 -8.992 -14.936 -7.006 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.923 -12.494 -5.846 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -11.030 -14.041 -7.345 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.449 -12.471 -6.688 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.170 -12.951 -8.637 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -10.786 -12.460 -9.105 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.320 -10.502 -7.313 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.650 -10.877 -7.689 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.815 -9.868 -9.559 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.279 -9.117 -9.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.155 -10.031 -11.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.180 -10.992 -10.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -9.709 -11.549 -10.815 1.00 0.00 H new ATOM 833 N PRO A 59 -11.289 -14.193 -4.200 1.00 0.00 N ATOM 834 CA PRO A 59 -11.963 -14.205 -2.905 1.00 0.00 C ATOM 835 C PRO A 59 -10.994 -14.561 -1.768 1.00 0.00 C ATOM 836 O PRO A 59 -11.050 -13.949 -0.702 1.00 0.00 O ATOM 837 CB PRO A 59 -13.068 -15.249 -3.057 1.00 0.00 C ATOM 838 CG PRO A 59 -12.486 -16.239 -4.066 1.00 0.00 C ATOM 839 CD PRO A 59 -11.682 -15.341 -4.998 1.00 0.00 C ATOM 0 HA PRO A 59 -12.362 -13.226 -2.639 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -13.297 -15.732 -2.107 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -13.994 -14.803 -3.420 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -11.857 -16.986 -3.582 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.268 -16.779 -4.600 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -10.809 -15.864 -5.387 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.279 -15.034 -5.857 1.00 0.00 H new ATOM 847 N GLY A 60 -10.075 -15.507 -2.004 1.00 0.00 N ATOM 848 CA GLY A 60 -9.114 -16.061 -1.050 1.00 0.00 C ATOM 849 C GLY A 60 -7.994 -15.101 -0.684 1.00 0.00 C ATOM 850 O GLY A 60 -6.845 -15.508 -0.539 1.00 0.00 O ATOM 0 H GLY A 60 -9.980 -15.931 -2.927 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.643 -16.351 -0.142 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.680 -16.968 -1.470 1.00 0.00 H new ATOM 854 N PHE A 61 -8.315 -13.826 -0.536 1.00 0.00 N ATOM 855 CA PHE A 61 -7.398 -12.726 -0.361 1.00 0.00 C ATOM 856 C PHE A 61 -7.999 -11.756 0.646 1.00 0.00 C ATOM 857 O PHE A 61 -7.385 -11.454 1.673 1.00 0.00 O ATOM 858 CB PHE A 61 -7.168 -12.100 -1.738 1.00 0.00 C ATOM 859 CG PHE A 61 -6.875 -10.618 -1.771 1.00 0.00 C ATOM 860 CD1 PHE A 61 -5.869 -10.077 -0.955 1.00 0.00 C ATOM 861 CD2 PHE A 61 -7.585 -9.782 -2.654 1.00 0.00 C ATOM 862 CE1 PHE A 61 -5.575 -8.712 -1.027 1.00 0.00 C ATOM 863 CE2 PHE A 61 -7.219 -8.433 -2.786 1.00 0.00 C ATOM 864 CZ PHE A 61 -6.191 -7.909 -1.993 1.00 0.00 C ATOM 0 H PHE A 61 -9.288 -13.519 -0.536 1.00 0.00 H new ATOM 0 HA PHE A 61 -6.431 -13.038 0.034 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -6.338 -12.621 -2.214 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -8.052 -12.285 -2.348 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.324 -10.713 -0.274 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -8.409 -10.178 -3.229 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.870 -8.276 -0.335 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.729 -7.801 -3.498 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.874 -6.885 -2.127 1.00 0.00 H new ATOM 874 N LEU A 62 -9.245 -11.336 0.412 1.00 0.00 N ATOM 875 CA LEU A 62 -9.980 -10.425 1.290 1.00 0.00 C ATOM 876 C LEU A 62 -10.178 -11.013 2.700 1.00 0.00 C ATOM 877 O LEU A 62 -10.429 -10.277 3.663 1.00 0.00 O ATOM 878 CB LEU A 62 -11.332 -10.098 0.641 1.00 0.00 C ATOM 879 CG LEU A 62 -11.212 -9.263 -0.652 1.00 0.00 C ATOM 880 CD1 LEU A 62 -12.482 -9.452 -1.473 1.00 0.00 C ATOM 881 CD2 LEU A 62 -10.991 -7.772 -0.361 1.00 0.00 C ATOM 0 H LEU A 62 -9.780 -11.625 -0.407 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.396 -9.513 1.414 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -11.852 -11.029 0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.948 -9.555 1.358 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.341 -9.611 -1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -12.412 -8.868 -2.391 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -12.601 -10.506 -1.722 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -13.343 -9.117 -0.894 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.913 -7.226 -1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.832 -7.385 0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.071 -7.645 0.210 1.00 0.00 H new ATOM 893 N LYS A 63 -9.959 -12.327 2.856 1.00 0.00 N ATOM 894 CA LYS A 63 -9.860 -13.035 4.122 1.00 0.00 C ATOM 895 C LYS A 63 -8.778 -12.477 5.038 1.00 0.00 C ATOM 896 O LYS A 63 -8.744 -12.831 6.213 1.00 0.00 O ATOM 897 CB LYS A 63 -9.751 -14.561 3.914 1.00 0.00 C ATOM 898 CG LYS A 63 -8.705 -15.080 2.916 1.00 0.00 C ATOM 899 CD LYS A 63 -7.261 -14.706 3.272 1.00 0.00 C ATOM 900 CE LYS A 63 -6.293 -15.382 2.293 1.00 0.00 C ATOM 901 NZ LYS A 63 -4.963 -15.753 2.819 1.00 0.00 N ATOM 0 H LYS A 63 -9.841 -12.948 2.056 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.795 -12.858 4.653 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.543 -15.016 4.882 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.727 -14.925 3.594 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.783 -16.165 2.855 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.937 -14.688 1.926 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.136 -13.624 3.233 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.036 -15.016 4.292 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.771 -16.284 1.912 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.148 -14.715 1.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.404 -16.200 2.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.472 -14.900 3.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.076 -16.421 3.608 1.00 0.00 H new ATOM 915 N LYS A 64 -7.889 -11.616 4.541 1.00 0.00 N ATOM 916 CA LYS A 64 -6.857 -10.998 5.349 1.00 0.00 C ATOM 917 C LYS A 64 -7.288 -9.629 5.848 1.00 0.00 C ATOM 918 O LYS A 64 -7.084 -9.314 7.015 1.00 0.00 O ATOM 919 CB LYS A 64 -5.557 -10.933 4.542 1.00 0.00 C ATOM 920 CG LYS A 64 -4.848 -12.302 4.489 1.00 0.00 C ATOM 921 CD LYS A 64 -3.464 -12.346 5.155 1.00 0.00 C ATOM 922 CE LYS A 64 -3.417 -11.725 6.561 1.00 0.00 C ATOM 923 NZ LYS A 64 -2.683 -10.445 6.585 1.00 0.00 N ATOM 0 H LYS A 64 -7.871 -11.332 3.562 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.684 -11.605 6.237 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.775 -10.597 3.528 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.890 -10.195 4.986 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.488 -13.044 4.967 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.741 -12.598 3.445 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.137 -13.384 5.218 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.750 -11.825 4.517 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.434 -11.565 6.919 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.944 -12.425 7.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.003 -9.876 7.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.664 -10.631 6.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.864 -9.924 5.703 1.00 0.00 H new ATOM 937 N LEU A 65 -7.879 -8.812 4.976 1.00 0.00 N ATOM 938 CA LEU A 65 -8.314 -7.465 5.323 1.00 0.00 C ATOM 939 C LEU A 65 -9.405 -7.512 6.378 1.00 0.00 C ATOM 940 O LEU A 65 -9.360 -6.710 7.300 1.00 0.00 O ATOM 941 CB LEU A 65 -8.788 -6.706 4.077 1.00 0.00 C ATOM 942 CG LEU A 65 -7.633 -6.265 3.152 1.00 0.00 C ATOM 943 CD1 LEU A 65 -7.126 -7.366 2.205 1.00 0.00 C ATOM 944 CD2 LEU A 65 -8.110 -5.068 2.333 1.00 0.00 C ATOM 0 H LEU A 65 -8.069 -9.069 4.007 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.462 -6.927 5.738 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.473 -7.339 3.514 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.350 -5.826 4.389 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.787 -6.013 3.792 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.316 -6.973 1.591 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.761 -8.210 2.790 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.941 -7.696 1.562 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.310 -4.738 1.671 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.977 -5.356 1.739 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.384 -4.254 3.004 1.00 0.00 H new ATOM 956 N SER A 66 -10.329 -8.468 6.303 1.00 0.00 N ATOM 957 CA SER A 66 -11.540 -8.470 7.123 1.00 0.00 C ATOM 958 C SER A 66 -11.328 -8.570 8.648 1.00 0.00 C ATOM 959 O SER A 66 -12.301 -8.507 9.390 1.00 0.00 O ATOM 960 CB SER A 66 -12.454 -9.598 6.649 1.00 0.00 C ATOM 961 OG SER A 66 -12.658 -9.560 5.241 1.00 0.00 O ATOM 0 H SER A 66 -10.259 -9.265 5.670 1.00 0.00 H new ATOM 0 HA SER A 66 -11.990 -7.487 6.979 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.020 -10.558 6.927 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.415 -9.524 7.157 1.00 0.00 H new ATOM 0 HG SER A 66 -11.871 -9.927 4.786 1.00 0.00 H new ATOM 967 N LEU A 67 -10.090 -8.699 9.136 1.00 0.00 N ATOM 968 CA LEU A 67 -9.758 -8.653 10.553 1.00 0.00 C ATOM 969 C LEU A 67 -8.584 -7.722 10.869 1.00 0.00 C ATOM 970 O LEU A 67 -8.028 -7.783 11.967 1.00 0.00 O ATOM 971 CB LEU A 67 -9.602 -10.075 11.099 1.00 0.00 C ATOM 972 CG LEU A 67 -8.650 -11.069 10.407 1.00 0.00 C ATOM 973 CD1 LEU A 67 -9.194 -11.586 9.074 1.00 0.00 C ATOM 974 CD2 LEU A 67 -7.219 -10.569 10.209 1.00 0.00 C ATOM 0 H LEU A 67 -9.276 -8.841 8.538 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.591 -8.195 11.086 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.281 -9.990 12.137 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.593 -10.529 11.108 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.601 -11.891 11.122 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.479 -12.282 8.635 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -10.142 -12.097 9.242 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.349 -10.748 8.395 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.629 -11.341 9.714 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.230 -9.670 9.593 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.776 -10.339 11.178 1.00 0.00 H new ATOM 986 N LYS A 68 -8.172 -6.878 9.920 1.00 0.00 N ATOM 987 CA LYS A 68 -7.057 -5.941 10.045 1.00 0.00 C ATOM 988 C LYS A 68 -7.457 -4.476 10.143 1.00 0.00 C ATOM 989 O LYS A 68 -6.575 -3.636 10.326 1.00 0.00 O ATOM 990 CB LYS A 68 -6.087 -6.150 8.869 1.00 0.00 C ATOM 991 CG LYS A 68 -4.753 -6.717 9.350 1.00 0.00 C ATOM 992 CD LYS A 68 -4.856 -8.065 10.073 1.00 0.00 C ATOM 993 CE LYS A 68 -3.540 -8.270 10.815 1.00 0.00 C ATOM 994 NZ LYS A 68 -3.651 -9.237 11.926 1.00 0.00 N ATOM 0 H LYS A 68 -8.625 -6.828 9.008 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.578 -6.166 10.998 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.533 -6.829 8.142 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -5.920 -5.201 8.359 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.090 -6.830 8.492 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.287 -5.995 10.020 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.696 -8.068 10.768 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.028 -8.873 9.362 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.783 -8.617 10.112 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.196 -7.312 11.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.727 -9.336 12.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.352 -8.896 12.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.951 -10.160 11.554 1.00 0.00 H new ATOM 1008 N PHE A 69 -8.734 -4.155 9.989 1.00 0.00 N ATOM 1009 CA PHE A 69 -9.235 -2.789 10.090 1.00 0.00 C ATOM 1010 C PHE A 69 -10.290 -2.750 11.195 1.00 0.00 C ATOM 1011 O PHE A 69 -10.688 -3.795 11.707 1.00 0.00 O ATOM 1012 CB PHE A 69 -9.753 -2.335 8.714 1.00 0.00 C ATOM 1013 CG PHE A 69 -8.713 -2.348 7.620 1.00 0.00 C ATOM 1014 CD1 PHE A 69 -8.332 -3.563 7.026 1.00 0.00 C ATOM 1015 CD2 PHE A 69 -8.165 -1.147 7.158 1.00 0.00 C ATOM 1016 CE1 PHE A 69 -7.364 -3.596 6.015 1.00 0.00 C ATOM 1017 CE2 PHE A 69 -7.219 -1.170 6.120 1.00 0.00 C ATOM 1018 CZ PHE A 69 -6.812 -2.392 5.565 1.00 0.00 C ATOM 0 H PHE A 69 -9.460 -4.842 9.788 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.452 -2.083 10.366 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -10.580 -2.981 8.420 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -10.154 -1.325 8.805 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -8.792 -4.484 7.354 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.467 -0.208 7.597 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -7.048 -4.537 5.589 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.804 -0.245 5.748 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.066 -2.404 4.784 1.00 0.00 H new ATOM 1028 N LYS A 70 -10.771 -1.570 11.565 1.00 0.00 N ATOM 1029 CA LYS A 70 -11.875 -1.398 12.504 1.00 0.00 C ATOM 1030 C LYS A 70 -13.079 -0.914 11.724 1.00 0.00 C ATOM 1031 O LYS A 70 -14.113 -1.571 11.733 1.00 0.00 O ATOM 1032 CB LYS A 70 -11.463 -0.407 13.597 1.00 0.00 C ATOM 1033 CG LYS A 70 -12.515 -0.228 14.700 1.00 0.00 C ATOM 1034 CD LYS A 70 -12.144 0.968 15.593 1.00 0.00 C ATOM 1035 CE LYS A 70 -12.874 2.257 15.200 1.00 0.00 C ATOM 1036 NZ LYS A 70 -14.288 2.259 15.628 1.00 0.00 N ATOM 0 H LYS A 70 -10.398 -0.688 11.215 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.130 -2.337 12.996 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.531 -0.746 14.049 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.262 0.562 13.139 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -13.497 -0.069 14.255 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.581 -1.135 15.301 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.377 0.726 16.630 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.068 1.135 15.539 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -12.362 3.111 15.644 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.825 2.383 14.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -14.737 3.151 15.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.786 1.461 15.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.338 2.166 16.663 1.00 0.00 H new ATOM 1050 N ASP A 71 -12.918 0.212 11.038 1.00 0.00 N ATOM 1051 CA ASP A 71 -14.006 0.971 10.431 1.00 0.00 C ATOM 1052 C ASP A 71 -13.816 1.036 8.911 1.00 0.00 C ATOM 1053 O ASP A 71 -13.509 2.106 8.385 1.00 0.00 O ATOM 1054 CB ASP A 71 -14.024 2.336 11.146 1.00 0.00 C ATOM 1055 CG ASP A 71 -15.229 3.224 10.850 1.00 0.00 C ATOM 1056 OD1 ASP A 71 -16.315 2.715 10.508 1.00 0.00 O ATOM 1057 OD2 ASP A 71 -15.132 4.452 11.087 1.00 0.00 O ATOM 0 H ASP A 71 -12.002 0.634 10.884 1.00 0.00 H new ATOM 0 HA ASP A 71 -14.984 0.506 10.558 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -13.980 2.163 12.221 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -13.120 2.880 10.873 1.00 0.00 H new ATOM 1062 N PRO A 72 -13.885 -0.102 8.178 1.00 0.00 N ATOM 1063 CA PRO A 72 -13.501 -0.153 6.767 1.00 0.00 C ATOM 1064 C PRO A 72 -14.453 0.682 5.914 1.00 0.00 C ATOM 1065 O PRO A 72 -14.023 1.413 5.028 1.00 0.00 O ATOM 1066 CB PRO A 72 -13.512 -1.627 6.372 1.00 0.00 C ATOM 1067 CG PRO A 72 -14.475 -2.262 7.356 1.00 0.00 C ATOM 1068 CD PRO A 72 -14.246 -1.440 8.629 1.00 0.00 C ATOM 0 HA PRO A 72 -12.511 0.273 6.604 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.845 -1.762 5.343 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -12.518 -2.068 6.445 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.507 -2.197 7.012 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -14.257 -3.319 7.511 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.144 -1.416 9.246 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.453 -1.875 9.238 1.00 0.00 H new ATOM 1076 N GLU A 73 -15.735 0.633 6.264 1.00 0.00 N ATOM 1077 CA GLU A 73 -16.863 1.417 5.775 1.00 0.00 C ATOM 1078 C GLU A 73 -16.681 2.939 5.917 1.00 0.00 C ATOM 1079 O GLU A 73 -17.586 3.688 5.556 1.00 0.00 O ATOM 1080 CB GLU A 73 -18.110 0.960 6.558 1.00 0.00 C ATOM 1081 CG GLU A 73 -17.845 1.036 8.073 1.00 0.00 C ATOM 1082 CD GLU A 73 -19.071 1.358 8.915 1.00 0.00 C ATOM 1083 OE1 GLU A 73 -19.545 2.522 8.850 1.00 0.00 O ATOM 1084 OE2 GLU A 73 -19.443 0.496 9.745 1.00 0.00 O ATOM 0 H GLU A 73 -16.041 -0.031 6.976 1.00 0.00 H new ATOM 0 HA GLU A 73 -16.958 1.240 4.704 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -18.962 1.589 6.299 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -18.370 -0.061 6.278 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -17.433 0.083 8.405 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -17.084 1.794 8.258 1.00 0.00 H new ATOM 1091 N ASN A 74 -15.560 3.432 6.454 1.00 0.00 N ATOM 1092 CA ASN A 74 -15.197 4.853 6.434 1.00 0.00 C ATOM 1093 C ASN A 74 -13.702 5.058 6.184 1.00 0.00 C ATOM 1094 O ASN A 74 -13.221 6.195 6.195 1.00 0.00 O ATOM 1095 CB ASN A 74 -15.576 5.533 7.762 1.00 0.00 C ATOM 1096 CG ASN A 74 -17.070 5.505 8.015 1.00 0.00 C ATOM 1097 OD1 ASN A 74 -17.815 6.280 7.421 1.00 0.00 O ATOM 1098 ND2 ASN A 74 -17.550 4.633 8.879 1.00 0.00 N ATOM 0 H ASN A 74 -14.869 2.846 6.922 1.00 0.00 H new ATOM 0 HA ASN A 74 -15.754 5.305 5.613 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.061 5.034 8.583 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -15.231 6.567 7.750 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -18.553 4.595 9.062 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -16.919 3.996 9.365 1.00 0.00 H new ATOM 1105 N THR A 75 -12.939 3.983 6.014 1.00 0.00 N ATOM 1106 CA THR A 75 -11.498 4.011 5.931 1.00 0.00 C ATOM 1107 C THR A 75 -11.077 4.093 4.475 1.00 0.00 C ATOM 1108 O THR A 75 -11.295 3.144 3.721 1.00 0.00 O ATOM 1109 CB THR A 75 -10.964 2.757 6.613 1.00 0.00 C ATOM 1110 OG1 THR A 75 -11.022 2.918 8.014 1.00 0.00 O ATOM 1111 CG2 THR A 75 -9.548 2.434 6.151 1.00 0.00 C ATOM 0 H THR A 75 -13.327 3.043 5.929 1.00 0.00 H new ATOM 0 HA THR A 75 -11.087 4.886 6.435 1.00 0.00 H new ATOM 0 HB THR A 75 -11.591 1.911 6.331 1.00 0.00 H new ATOM 0 HG1 THR A 75 -11.859 2.537 8.353 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.197 1.534 6.656 1.00 0.00 H new ATOM 0 HG22 THR A 75 -9.545 2.270 5.073 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.888 3.267 6.392 1.00 0.00 H new ATOM 1119 N THR A 76 -10.493 5.211 4.062 1.00 0.00 N ATOM 1120 CA THR A 76 -10.049 5.339 2.686 1.00 0.00 C ATOM 1121 C THR A 76 -8.756 4.542 2.550 1.00 0.00 C ATOM 1122 O THR A 76 -7.713 4.942 3.076 1.00 0.00 O ATOM 1123 CB THR A 76 -9.898 6.805 2.255 1.00 0.00 C ATOM 1124 OG1 THR A 76 -11.054 7.564 2.546 1.00 0.00 O ATOM 1125 CG2 THR A 76 -9.704 6.837 0.741 1.00 0.00 C ATOM 0 H THR A 76 -10.319 6.026 4.650 1.00 0.00 H new ATOM 0 HA THR A 76 -10.801 4.935 2.008 1.00 0.00 H new ATOM 0 HB THR A 76 -9.053 7.230 2.796 1.00 0.00 H new ATOM 0 HG1 THR A 76 -10.918 8.491 2.258 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.594 7.870 0.410 1.00 0.00 H new ATOM 0 HG22 THR A 76 -8.809 6.274 0.477 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.570 6.390 0.254 1.00 0.00 H new ATOM 1133 N LEU A 77 -8.820 3.369 1.919 1.00 0.00 N ATOM 1134 CA LEU A 77 -7.622 2.561 1.756 1.00 0.00 C ATOM 1135 C LEU A 77 -6.791 3.094 0.592 1.00 0.00 C ATOM 1136 O LEU A 77 -7.340 3.495 -0.429 1.00 0.00 O ATOM 1137 CB LEU A 77 -7.966 1.074 1.539 1.00 0.00 C ATOM 1138 CG LEU A 77 -7.319 0.145 2.585 1.00 0.00 C ATOM 1139 CD1 LEU A 77 -7.538 -1.317 2.172 1.00 0.00 C ATOM 1140 CD2 LEU A 77 -5.813 0.379 2.762 1.00 0.00 C ATOM 0 H LEU A 77 -9.670 2.968 1.522 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.039 2.630 2.674 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.048 0.949 1.571 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.640 0.773 0.543 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.799 0.371 3.537 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.081 -1.976 2.910 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.607 -1.523 2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.082 -1.492 1.198 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.424 -0.309 3.513 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.304 0.207 1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.640 1.405 3.086 1.00 0.00 H new ATOM 1152 N TYR A 78 -5.470 3.004 0.696 1.00 0.00 N ATOM 1153 CA TYR A 78 -4.532 3.324 -0.367 1.00 0.00 C ATOM 1154 C TYR A 78 -3.694 2.069 -0.587 1.00 0.00 C ATOM 1155 O TYR A 78 -2.950 1.665 0.306 1.00 0.00 O ATOM 1156 CB TYR A 78 -3.689 4.554 0.014 1.00 0.00 C ATOM 1157 CG TYR A 78 -4.472 5.861 0.077 1.00 0.00 C ATOM 1158 CD1 TYR A 78 -5.310 6.150 1.172 1.00 0.00 C ATOM 1159 CD2 TYR A 78 -4.399 6.776 -0.989 1.00 0.00 C ATOM 1160 CE1 TYR A 78 -6.113 7.305 1.177 1.00 0.00 C ATOM 1161 CE2 TYR A 78 -5.188 7.942 -0.987 1.00 0.00 C ATOM 1162 CZ TYR A 78 -6.069 8.197 0.085 1.00 0.00 C ATOM 1163 OH TYR A 78 -6.870 9.294 0.043 1.00 0.00 O ATOM 0 H TYR A 78 -5.010 2.696 1.552 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.035 3.595 -1.295 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.226 4.375 0.984 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.881 4.663 -0.709 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.336 5.478 2.017 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.732 6.582 -1.816 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -6.762 7.509 2.016 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -5.119 8.642 -1.807 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.524 9.194 -0.680 1.00 0.00 H new ATOM 1173 N ILE A 79 -3.856 1.401 -1.728 1.00 0.00 N ATOM 1174 CA ILE A 79 -3.021 0.261 -2.081 1.00 0.00 C ATOM 1175 C ILE A 79 -1.648 0.758 -2.535 1.00 0.00 C ATOM 1176 O ILE A 79 -1.567 1.785 -3.207 1.00 0.00 O ATOM 1177 CB ILE A 79 -3.720 -0.577 -3.170 1.00 0.00 C ATOM 1178 CG1 ILE A 79 -4.965 -1.266 -2.564 1.00 0.00 C ATOM 1179 CG2 ILE A 79 -2.793 -1.678 -3.707 1.00 0.00 C ATOM 1180 CD1 ILE A 79 -6.243 -0.442 -2.674 1.00 0.00 C ATOM 0 H ILE A 79 -4.563 1.634 -2.425 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.874 -0.382 -1.213 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.994 0.095 -3.983 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.117 -2.223 -3.063 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.773 -1.482 -1.513 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.315 -2.251 -4.473 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.901 -1.224 -4.138 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.505 -2.341 -2.891 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.071 -0.993 -2.227 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.112 0.505 -2.150 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.462 -0.248 -3.724 1.00 0.00 H new ATOM 1192 N LEU A 80 -0.595 -0.003 -2.218 1.00 0.00 N ATOM 1193 CA LEU A 80 0.786 0.221 -2.632 1.00 0.00 C ATOM 1194 C LEU A 80 1.330 -1.121 -3.142 1.00 0.00 C ATOM 1195 O LEU A 80 1.261 -2.111 -2.412 1.00 0.00 O ATOM 1196 CB LEU A 80 1.579 0.745 -1.415 1.00 0.00 C ATOM 1197 CG LEU A 80 2.801 1.629 -1.727 1.00 0.00 C ATOM 1198 CD1 LEU A 80 3.590 1.882 -0.434 1.00 0.00 C ATOM 1199 CD2 LEU A 80 3.762 1.048 -2.751 1.00 0.00 C ATOM 0 H LEU A 80 -0.693 -0.834 -1.635 1.00 0.00 H new ATOM 0 HA LEU A 80 0.871 0.961 -3.428 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.898 1.314 -0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.916 -0.112 -0.832 1.00 0.00 H new ATOM 0 HG LEU A 80 2.393 2.544 -2.156 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.456 2.508 -0.652 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.950 2.387 0.290 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.925 0.931 -0.020 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.590 1.739 -2.906 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.148 0.095 -2.388 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.238 0.892 -3.694 1.00 0.00 H new ATOM 1211 N ASP A 81 1.850 -1.173 -4.370 1.00 0.00 N ATOM 1212 CA ASP A 81 2.502 -2.342 -4.970 1.00 0.00 C ATOM 1213 C ASP A 81 3.981 -2.057 -5.276 1.00 0.00 C ATOM 1214 O ASP A 81 4.508 -1.004 -4.931 1.00 0.00 O ATOM 1215 CB ASP A 81 1.749 -2.827 -6.222 1.00 0.00 C ATOM 1216 CG ASP A 81 2.339 -2.274 -7.521 1.00 0.00 C ATOM 1217 OD1 ASP A 81 2.321 -1.038 -7.698 1.00 0.00 O ATOM 1218 OD2 ASP A 81 2.949 -3.088 -8.264 1.00 0.00 O ATOM 0 H ASP A 81 1.828 -0.371 -5.000 1.00 0.00 H new ATOM 0 HA ASP A 81 2.467 -3.150 -4.239 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.770 -3.916 -6.254 1.00 0.00 H new ATOM 0 HB3 ASP A 81 0.703 -2.531 -6.149 1.00 0.00 H new ATOM 1223 N LYS A 82 4.701 -3.017 -5.872 1.00 0.00 N ATOM 1224 CA LYS A 82 6.103 -2.834 -6.248 1.00 0.00 C ATOM 1225 C LYS A 82 6.254 -1.668 -7.217 1.00 0.00 C ATOM 1226 O LYS A 82 7.173 -0.882 -7.009 1.00 0.00 O ATOM 1227 CB LYS A 82 6.708 -4.134 -6.826 1.00 0.00 C ATOM 1228 CG LYS A 82 7.138 -5.128 -5.740 1.00 0.00 C ATOM 1229 CD LYS A 82 6.114 -6.225 -5.422 1.00 0.00 C ATOM 1230 CE LYS A 82 6.152 -7.417 -6.380 1.00 0.00 C ATOM 1231 NZ LYS A 82 5.509 -7.171 -7.680 1.00 0.00 N ATOM 0 H LYS A 82 4.327 -3.937 -6.105 1.00 0.00 H new ATOM 0 HA LYS A 82 6.664 -2.593 -5.345 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.976 -4.611 -7.478 1.00 0.00 H new ATOM 0 HB3 LYS A 82 7.570 -3.884 -7.444 1.00 0.00 H new ATOM 0 HG2 LYS A 82 8.070 -5.601 -6.050 1.00 0.00 H new ATOM 0 HG3 LYS A 82 7.350 -4.574 -4.825 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.286 -6.584 -4.407 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.115 -5.790 -5.441 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.191 -7.699 -6.550 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.665 -8.267 -5.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.303 -8.079 -8.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.622 -6.647 -7.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.146 -6.612 -8.282 1.00 0.00 H new ATOM 1245 N PHE A 83 5.431 -1.560 -8.264 1.00 0.00 N ATOM 1246 CA PHE A 83 5.670 -0.606 -9.329 1.00 0.00 C ATOM 1247 C PHE A 83 4.388 -0.194 -10.062 1.00 0.00 C ATOM 1248 O PHE A 83 4.260 0.947 -10.498 1.00 0.00 O ATOM 1249 CB PHE A 83 6.655 -1.259 -10.318 1.00 0.00 C ATOM 1250 CG PHE A 83 7.496 -0.255 -11.067 1.00 0.00 C ATOM 1251 CD1 PHE A 83 6.904 0.592 -12.013 1.00 0.00 C ATOM 1252 CD2 PHE A 83 8.865 -0.137 -10.781 1.00 0.00 C ATOM 1253 CE1 PHE A 83 7.665 1.585 -12.643 1.00 0.00 C ATOM 1254 CE2 PHE A 83 9.641 0.834 -11.438 1.00 0.00 C ATOM 1255 CZ PHE A 83 9.035 1.710 -12.354 1.00 0.00 C ATOM 0 H PHE A 83 4.593 -2.128 -8.389 1.00 0.00 H new ATOM 0 HA PHE A 83 6.077 0.308 -8.896 1.00 0.00 H new ATOM 0 HB2 PHE A 83 7.311 -1.938 -9.773 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.096 -1.861 -11.034 1.00 0.00 H new ATOM 0 HD1 PHE A 83 5.858 0.479 -12.257 1.00 0.00 H new ATOM 0 HD2 PHE A 83 9.323 -0.793 -10.055 1.00 0.00 H new ATOM 0 HE1 PHE A 83 7.199 2.255 -13.351 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.700 0.906 -11.239 1.00 0.00 H new ATOM 0 HZ PHE A 83 9.621 2.479 -12.836 1.00 0.00 H new ATOM 1265 N ASP A 84 3.526 -1.151 -10.394 1.00 0.00 N ATOM 1266 CA ASP A 84 2.444 -0.938 -11.353 1.00 0.00 C ATOM 1267 C ASP A 84 1.332 -1.928 -11.035 1.00 0.00 C ATOM 1268 O ASP A 84 0.207 -1.543 -10.708 1.00 0.00 O ATOM 1269 CB ASP A 84 2.997 -1.136 -12.781 1.00 0.00 C ATOM 1270 CG ASP A 84 2.141 -0.455 -13.844 1.00 0.00 C ATOM 1271 OD1 ASP A 84 0.900 -0.413 -13.696 1.00 0.00 O ATOM 1272 OD2 ASP A 84 2.707 0.088 -14.824 1.00 0.00 O ATOM 0 H ASP A 84 3.557 -2.094 -10.007 1.00 0.00 H new ATOM 0 HA ASP A 84 2.041 0.073 -11.288 1.00 0.00 H new ATOM 0 HB2 ASP A 84 4.012 -0.742 -12.831 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.058 -2.202 -12.998 1.00 0.00 H new ATOM 1277 N GLY A 85 1.712 -3.212 -11.076 1.00 0.00 N ATOM 1278 CA GLY A 85 0.992 -4.366 -10.584 1.00 0.00 C ATOM 1279 C GLY A 85 -0.489 -4.289 -10.901 1.00 0.00 C ATOM 1280 O GLY A 85 -0.896 -4.515 -12.044 1.00 0.00 O ATOM 0 H GLY A 85 2.605 -3.478 -11.490 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.411 -5.270 -11.026 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.128 -4.446 -9.505 1.00 0.00 H new ATOM 1284 N ASN A 86 -1.278 -4.079 -9.848 1.00 0.00 N ATOM 1285 CA ASN A 86 -2.734 -4.187 -9.854 1.00 0.00 C ATOM 1286 C ASN A 86 -3.358 -3.233 -8.831 1.00 0.00 C ATOM 1287 O ASN A 86 -4.449 -3.493 -8.330 1.00 0.00 O ATOM 1288 CB ASN A 86 -3.157 -5.631 -9.526 1.00 0.00 C ATOM 1289 CG ASN A 86 -2.684 -6.680 -10.513 1.00 0.00 C ATOM 1290 OD1 ASN A 86 -1.943 -7.589 -10.138 1.00 0.00 O ATOM 1291 ND2 ASN A 86 -3.114 -6.614 -11.756 1.00 0.00 N ATOM 0 H ASN A 86 -0.906 -3.820 -8.934 1.00 0.00 H new ATOM 0 HA ASN A 86 -3.088 -3.916 -10.849 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.778 -5.888 -8.537 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.245 -5.671 -9.471 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -2.834 -7.325 -12.431 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -3.727 -5.851 -12.044 1.00 0.00 H new ATOM 1298 N SER A 87 -2.653 -2.182 -8.429 1.00 0.00 N ATOM 1299 CA SER A 87 -3.079 -1.305 -7.353 1.00 0.00 C ATOM 1300 C SER A 87 -4.463 -0.714 -7.608 1.00 0.00 C ATOM 1301 O SER A 87 -5.306 -0.761 -6.714 1.00 0.00 O ATOM 1302 CB SER A 87 -2.022 -0.230 -7.148 1.00 0.00 C ATOM 1303 OG SER A 87 -0.796 -0.890 -6.969 1.00 0.00 O ATOM 0 H SER A 87 -1.762 -1.915 -8.847 1.00 0.00 H new ATOM 0 HA SER A 87 -3.176 -1.886 -6.436 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.979 0.438 -8.009 1.00 0.00 H new ATOM 0 HB3 SER A 87 -2.260 0.384 -6.280 1.00 0.00 H new ATOM 0 HG SER A 87 -0.085 -0.229 -6.835 1.00 0.00 H new ATOM 1309 N GLU A 88 -4.725 -0.212 -8.820 1.00 0.00 N ATOM 1310 CA GLU A 88 -6.036 0.345 -9.164 1.00 0.00 C ATOM 1311 C GLU A 88 -7.134 -0.711 -9.039 1.00 0.00 C ATOM 1312 O GLU A 88 -8.251 -0.394 -8.638 1.00 0.00 O ATOM 1313 CB GLU A 88 -6.084 0.827 -10.612 1.00 0.00 C ATOM 1314 CG GLU A 88 -5.149 1.963 -11.013 1.00 0.00 C ATOM 1315 CD GLU A 88 -5.444 2.417 -12.451 1.00 0.00 C ATOM 1316 OE1 GLU A 88 -5.938 1.603 -13.276 1.00 0.00 O ATOM 1317 OE2 GLU A 88 -5.244 3.608 -12.764 1.00 0.00 O ATOM 0 H GLU A 88 -4.045 -0.181 -9.579 1.00 0.00 H new ATOM 0 HA GLU A 88 -6.195 1.172 -8.472 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.871 -0.026 -11.256 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.105 1.142 -10.827 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.271 2.802 -10.328 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.113 1.635 -10.934 1.00 0.00 H new ATOM 1324 N LEU A 89 -6.821 -1.953 -9.420 1.00 0.00 N ATOM 1325 CA LEU A 89 -7.736 -3.085 -9.421 1.00 0.00 C ATOM 1326 C LEU A 89 -8.259 -3.288 -8.006 1.00 0.00 C ATOM 1327 O LEU A 89 -9.465 -3.353 -7.771 1.00 0.00 O ATOM 1328 CB LEU A 89 -6.971 -4.326 -9.921 1.00 0.00 C ATOM 1329 CG LEU A 89 -7.784 -5.476 -10.515 1.00 0.00 C ATOM 1330 CD1 LEU A 89 -8.709 -6.179 -9.520 1.00 0.00 C ATOM 1331 CD2 LEU A 89 -8.541 -5.016 -11.764 1.00 0.00 C ATOM 0 H LEU A 89 -5.887 -2.201 -9.747 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.586 -2.910 -10.080 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.257 -3.997 -10.676 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -6.393 -4.722 -9.086 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.057 -6.236 -10.801 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.247 -6.981 -10.027 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.117 -6.597 -8.706 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.423 -5.461 -9.118 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -9.113 -5.850 -12.171 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -9.220 -4.205 -11.500 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.830 -4.665 -12.512 1.00 0.00 H new ATOM 1343 N VAL A 90 -7.329 -3.374 -7.055 1.00 0.00 N ATOM 1344 CA VAL A 90 -7.639 -3.570 -5.654 1.00 0.00 C ATOM 1345 C VAL A 90 -8.293 -2.301 -5.073 1.00 0.00 C ATOM 1346 O VAL A 90 -9.168 -2.427 -4.207 1.00 0.00 O ATOM 1347 CB VAL A 90 -6.373 -4.042 -4.919 1.00 0.00 C ATOM 1348 CG1 VAL A 90 -6.697 -4.412 -3.466 1.00 0.00 C ATOM 1349 CG2 VAL A 90 -5.747 -5.297 -5.559 1.00 0.00 C ATOM 0 H VAL A 90 -6.329 -3.308 -7.247 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.380 -4.358 -5.518 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.673 -3.208 -4.979 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.788 -4.743 -2.964 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -7.100 -3.541 -2.950 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.433 -5.215 -3.451 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -4.857 -5.585 -5.000 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.468 -6.114 -5.539 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -5.472 -5.080 -6.591 1.00 0.00 H new ATOM 1359 N ALA A 91 -7.956 -1.102 -5.572 1.00 0.00 N ATOM 1360 CA ALA A 91 -8.590 0.157 -5.180 1.00 0.00 C ATOM 1361 C ALA A 91 -10.070 0.221 -5.589 1.00 0.00 C ATOM 1362 O ALA A 91 -10.833 0.989 -5.000 1.00 0.00 O ATOM 1363 CB ALA A 91 -7.833 1.330 -5.797 1.00 0.00 C ATOM 0 H ALA A 91 -7.222 -0.983 -6.271 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.551 0.215 -4.092 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.309 2.265 -5.502 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.801 1.322 -5.447 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.848 1.242 -6.883 1.00 0.00 H new ATOM 1369 N GLU A 92 -10.506 -0.625 -6.523 1.00 0.00 N ATOM 1370 CA GLU A 92 -11.912 -0.829 -6.851 1.00 0.00 C ATOM 1371 C GLU A 92 -12.327 -2.273 -6.557 1.00 0.00 C ATOM 1372 O GLU A 92 -13.256 -2.799 -7.164 1.00 0.00 O ATOM 1373 CB GLU A 92 -12.225 -0.348 -8.276 1.00 0.00 C ATOM 1374 CG GLU A 92 -11.626 -1.188 -9.412 1.00 0.00 C ATOM 1375 CD GLU A 92 -12.096 -0.633 -10.753 1.00 0.00 C ATOM 1376 OE1 GLU A 92 -11.632 0.464 -11.136 1.00 0.00 O ATOM 1377 OE2 GLU A 92 -13.005 -1.220 -11.374 1.00 0.00 O ATOM 0 H GLU A 92 -9.875 -1.199 -7.083 1.00 0.00 H new ATOM 0 HA GLU A 92 -12.532 -0.208 -6.204 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -13.308 -0.322 -8.401 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.868 0.676 -8.380 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.537 -1.168 -9.359 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.931 -2.229 -9.309 1.00 0.00 H new ATOM 1384 N LEU A 93 -11.658 -2.942 -5.613 1.00 0.00 N ATOM 1385 CA LEU A 93 -12.091 -4.235 -5.086 1.00 0.00 C ATOM 1386 C LEU A 93 -12.577 -4.035 -3.658 1.00 0.00 C ATOM 1387 O LEU A 93 -13.695 -4.427 -3.319 1.00 0.00 O ATOM 1388 CB LEU A 93 -10.958 -5.273 -5.152 1.00 0.00 C ATOM 1389 CG LEU A 93 -11.459 -6.701 -4.859 1.00 0.00 C ATOM 1390 CD1 LEU A 93 -12.219 -7.300 -6.048 1.00 0.00 C ATOM 1391 CD2 LEU A 93 -10.272 -7.612 -4.543 1.00 0.00 C ATOM 0 H LEU A 93 -10.795 -2.597 -5.192 1.00 0.00 H new ATOM 0 HA LEU A 93 -12.906 -4.624 -5.697 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -10.500 -5.246 -6.141 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -10.182 -5.008 -4.434 1.00 0.00 H new ATOM 0 HG LEU A 93 -12.137 -6.634 -4.008 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -12.553 -8.307 -5.796 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.084 -6.677 -6.278 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -11.561 -7.343 -6.916 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.632 -8.620 -4.337 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.595 -7.636 -5.397 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.742 -7.230 -3.670 1.00 0.00 H new ATOM 1403 N VAL A 94 -11.759 -3.410 -2.805 1.00 0.00 N ATOM 1404 CA VAL A 94 -12.129 -3.217 -1.404 1.00 0.00 C ATOM 1405 C VAL A 94 -13.379 -2.343 -1.279 1.00 0.00 C ATOM 1406 O VAL A 94 -14.284 -2.672 -0.507 1.00 0.00 O ATOM 1407 CB VAL A 94 -10.962 -2.654 -0.574 1.00 0.00 C ATOM 1408 CG1 VAL A 94 -9.828 -3.686 -0.495 1.00 0.00 C ATOM 1409 CG2 VAL A 94 -10.387 -1.326 -1.075 1.00 0.00 C ATOM 0 H VAL A 94 -10.846 -3.033 -3.059 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.366 -4.198 -0.993 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.390 -2.448 0.407 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -9.006 -3.279 0.094 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -10.197 -4.597 -0.023 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -9.475 -3.916 -1.500 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.571 -1.014 -0.423 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -10.013 -1.452 -2.091 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -11.168 -0.566 -1.068 1.00 0.00 H new ATOM 1419 N ALA A 95 -13.448 -1.272 -2.075 1.00 0.00 N ATOM 1420 CA ALA A 95 -14.542 -0.310 -2.079 1.00 0.00 C ATOM 1421 C ALA A 95 -15.854 -0.897 -2.624 1.00 0.00 C ATOM 1422 O ALA A 95 -16.881 -0.220 -2.651 1.00 0.00 O ATOM 1423 CB ALA A 95 -14.126 0.886 -2.934 1.00 0.00 C ATOM 0 H ALA A 95 -12.720 -1.048 -2.753 1.00 0.00 H new ATOM 0 HA ALA A 95 -14.734 -0.016 -1.047 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -14.932 1.619 -2.950 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -13.230 1.341 -2.512 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -13.919 0.552 -3.951 1.00 0.00 H new ATOM 1429 N LEU A 96 -15.822 -2.145 -3.096 1.00 0.00 N ATOM 1430 CA LEU A 96 -16.965 -2.904 -3.559 1.00 0.00 C ATOM 1431 C LEU A 96 -17.264 -4.058 -2.599 1.00 0.00 C ATOM 1432 O LEU A 96 -18.344 -4.638 -2.670 1.00 0.00 O ATOM 1433 CB LEU A 96 -16.682 -3.450 -4.970 1.00 0.00 C ATOM 1434 CG LEU A 96 -16.768 -2.385 -6.075 1.00 0.00 C ATOM 1435 CD1 LEU A 96 -15.722 -1.267 -5.975 1.00 0.00 C ATOM 1436 CD2 LEU A 96 -16.672 -3.068 -7.442 1.00 0.00 C ATOM 0 H LEU A 96 -14.951 -2.671 -3.165 1.00 0.00 H new ATOM 0 HA LEU A 96 -17.836 -2.249 -3.593 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -15.687 -3.896 -4.984 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -17.392 -4.247 -5.190 1.00 0.00 H new ATOM 0 HG LEU A 96 -17.731 -1.891 -5.944 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -15.861 -0.564 -6.796 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -15.838 -0.744 -5.026 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -14.722 -1.698 -6.032 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -16.733 -2.317 -8.229 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -15.722 -3.598 -7.518 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -17.493 -3.777 -7.553 1.00 0.00 H new ATOM 1448 N ASN A 97 -16.331 -4.415 -1.709 1.00 0.00 N ATOM 1449 CA ASN A 97 -16.446 -5.565 -0.814 1.00 0.00 C ATOM 1450 C ASN A 97 -16.813 -5.165 0.609 1.00 0.00 C ATOM 1451 O ASN A 97 -17.236 -6.037 1.377 1.00 0.00 O ATOM 1452 CB ASN A 97 -15.149 -6.383 -0.824 1.00 0.00 C ATOM 1453 CG ASN A 97 -15.208 -7.438 -1.911 1.00 0.00 C ATOM 1454 OD1 ASN A 97 -15.644 -8.557 -1.668 1.00 0.00 O ATOM 1455 ND2 ASN A 97 -14.801 -7.117 -3.125 1.00 0.00 N ATOM 0 H ASN A 97 -15.458 -3.900 -1.591 1.00 0.00 H new ATOM 0 HA ASN A 97 -17.262 -6.181 -1.191 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -14.296 -5.725 -0.991 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -15.001 -6.857 0.146 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -14.847 -7.805 -3.877 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -14.441 -6.181 -3.311 1.00 0.00 H new ATOM 1462 N GLY A 98 -16.702 -3.882 0.960 1.00 0.00 N ATOM 1463 CA GLY A 98 -17.198 -3.356 2.226 1.00 0.00 C ATOM 1464 C GLY A 98 -16.483 -2.112 2.743 1.00 0.00 C ATOM 1465 O GLY A 98 -16.843 -1.642 3.821 1.00 0.00 O ATOM 0 H GLY A 98 -16.262 -3.178 0.368 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.257 -3.125 2.114 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -17.120 -4.139 2.981 1.00 0.00 H new ATOM 1469 N PHE A 99 -15.468 -1.598 2.041 1.00 0.00 N ATOM 1470 CA PHE A 99 -14.934 -0.259 2.294 1.00 0.00 C ATOM 1471 C PHE A 99 -15.779 0.760 1.510 1.00 0.00 C ATOM 1472 O PHE A 99 -16.601 0.358 0.686 1.00 0.00 O ATOM 1473 CB PHE A 99 -13.447 -0.193 1.899 1.00 0.00 C ATOM 1474 CG PHE A 99 -12.509 -1.014 2.779 1.00 0.00 C ATOM 1475 CD1 PHE A 99 -12.558 -2.423 2.782 1.00 0.00 C ATOM 1476 CD2 PHE A 99 -11.596 -0.366 3.633 1.00 0.00 C ATOM 1477 CE1 PHE A 99 -11.742 -3.166 3.652 1.00 0.00 C ATOM 1478 CE2 PHE A 99 -10.748 -1.110 4.473 1.00 0.00 C ATOM 1479 CZ PHE A 99 -10.821 -2.511 4.482 1.00 0.00 C ATOM 0 H PHE A 99 -14.997 -2.096 1.286 1.00 0.00 H new ATOM 0 HA PHE A 99 -14.992 -0.022 3.356 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -13.345 -0.533 0.869 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -13.126 0.848 1.924 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -13.229 -2.936 2.109 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -11.546 0.713 3.643 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -11.824 -4.242 3.681 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.040 -0.602 5.112 1.00 0.00 H new ATOM 0 HZ PHE A 99 -10.170 -3.083 5.126 1.00 0.00 H new ATOM 1489 N LYS A 100 -15.594 2.059 1.763 1.00 0.00 N ATOM 1490 CA LYS A 100 -16.331 3.131 1.090 1.00 0.00 C ATOM 1491 C LYS A 100 -15.685 3.441 -0.258 1.00 0.00 C ATOM 1492 O LYS A 100 -16.356 3.365 -1.284 1.00 0.00 O ATOM 1493 CB LYS A 100 -16.411 4.398 1.969 1.00 0.00 C ATOM 1494 CG LYS A 100 -17.470 5.404 1.506 1.00 0.00 C ATOM 1495 CD LYS A 100 -18.919 4.943 1.746 1.00 0.00 C ATOM 1496 CE LYS A 100 -19.221 4.882 3.250 1.00 0.00 C ATOM 1497 NZ LYS A 100 -20.366 4.014 3.589 1.00 0.00 N ATOM 0 H LYS A 100 -14.920 2.399 2.449 1.00 0.00 H new ATOM 0 HA LYS A 100 -17.352 2.790 0.920 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -16.627 4.104 2.996 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -15.437 4.887 1.976 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -17.310 6.349 2.025 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -17.332 5.597 0.442 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -19.611 5.629 1.258 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -19.074 3.962 1.298 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -18.336 4.523 3.775 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -19.420 5.890 3.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -20.513 4.020 4.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -21.222 4.367 3.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -20.171 3.043 3.272 1.00 0.00 H new ATOM 1511 N SER A 101 -14.408 3.818 -0.255 1.00 0.00 N ATOM 1512 CA SER A 101 -13.607 4.200 -1.411 1.00 0.00 C ATOM 1513 C SER A 101 -12.170 3.735 -1.165 1.00 0.00 C ATOM 1514 O SER A 101 -11.752 3.555 -0.016 1.00 0.00 O ATOM 1515 CB SER A 101 -13.626 5.728 -1.585 1.00 0.00 C ATOM 1516 OG SER A 101 -14.936 6.268 -1.715 1.00 0.00 O ATOM 0 H SER A 101 -13.873 3.867 0.612 1.00 0.00 H new ATOM 0 HA SER A 101 -14.012 3.741 -2.313 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.135 6.189 -0.728 1.00 0.00 H new ATOM 0 HB3 SER A 101 -13.043 5.993 -2.467 1.00 0.00 H new ATOM 0 HG SER A 101 -14.880 7.241 -1.821 1.00 0.00 H new ATOM 1522 N ALA A 102 -11.376 3.579 -2.223 1.00 0.00 N ATOM 1523 CA ALA A 102 -9.947 3.339 -2.092 1.00 0.00 C ATOM 1524 C ALA A 102 -9.181 3.943 -3.268 1.00 0.00 C ATOM 1525 O ALA A 102 -9.763 4.482 -4.212 1.00 0.00 O ATOM 1526 CB ALA A 102 -9.683 1.839 -1.910 1.00 0.00 C ATOM 0 H ALA A 102 -11.706 3.616 -3.187 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.575 3.842 -1.199 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.611 1.667 -1.813 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -10.190 1.487 -1.012 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.060 1.295 -2.776 1.00 0.00 H new ATOM 1532 N TYR A 103 -7.857 3.890 -3.187 1.00 0.00 N ATOM 1533 CA TYR A 103 -6.897 4.585 -4.033 1.00 0.00 C ATOM 1534 C TYR A 103 -5.716 3.672 -4.340 1.00 0.00 C ATOM 1535 O TYR A 103 -5.523 2.655 -3.674 1.00 0.00 O ATOM 1536 CB TYR A 103 -6.382 5.800 -3.258 1.00 0.00 C ATOM 1537 CG TYR A 103 -7.197 7.059 -3.405 1.00 0.00 C ATOM 1538 CD1 TYR A 103 -8.318 7.289 -2.588 1.00 0.00 C ATOM 1539 CD2 TYR A 103 -6.799 8.026 -4.340 1.00 0.00 C ATOM 1540 CE1 TYR A 103 -9.055 8.478 -2.718 1.00 0.00 C ATOM 1541 CE2 TYR A 103 -7.507 9.229 -4.452 1.00 0.00 C ATOM 1542 CZ TYR A 103 -8.647 9.462 -3.648 1.00 0.00 C ATOM 1543 OH TYR A 103 -9.369 10.603 -3.821 1.00 0.00 O ATOM 0 H TYR A 103 -7.395 3.320 -2.479 1.00 0.00 H new ATOM 0 HA TYR A 103 -7.374 4.883 -4.967 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -6.335 5.541 -2.200 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -5.362 6.009 -3.581 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -8.613 6.549 -1.858 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -5.945 7.842 -4.975 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -9.932 8.640 -2.109 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -7.181 9.982 -5.155 1.00 0.00 H new ATOM 0 HH TYR A 103 -8.938 11.163 -4.500 1.00 0.00 H new ATOM 1553 N ALA A 104 -4.896 4.079 -5.309 1.00 0.00 N ATOM 1554 CA ALA A 104 -3.651 3.444 -5.701 1.00 0.00 C ATOM 1555 C ALA A 104 -2.566 4.521 -5.819 1.00 0.00 C ATOM 1556 O ALA A 104 -2.873 5.716 -5.872 1.00 0.00 O ATOM 1557 CB ALA A 104 -3.891 2.728 -7.037 1.00 0.00 C ATOM 0 H ALA A 104 -5.100 4.907 -5.869 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.318 2.712 -4.965 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -2.971 2.240 -7.359 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -4.674 1.980 -6.914 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.198 3.455 -7.789 1.00 0.00 H new ATOM 1563 N ILE A 105 -1.304 4.102 -5.918 1.00 0.00 N ATOM 1564 CA ILE A 105 -0.153 4.975 -6.158 1.00 0.00 C ATOM 1565 C ILE A 105 0.559 4.514 -7.434 1.00 0.00 C ATOM 1566 O ILE A 105 0.949 3.349 -7.553 1.00 0.00 O ATOM 1567 CB ILE A 105 0.768 5.099 -4.909 1.00 0.00 C ATOM 1568 CG1 ILE A 105 2.235 5.381 -5.301 1.00 0.00 C ATOM 1569 CG2 ILE A 105 0.684 3.921 -3.931 1.00 0.00 C ATOM 1570 CD1 ILE A 105 3.147 5.749 -4.130 1.00 0.00 C ATOM 0 H ILE A 105 -1.046 3.119 -5.831 1.00 0.00 H new ATOM 0 HA ILE A 105 -0.491 5.998 -6.325 1.00 0.00 H new ATOM 0 HB ILE A 105 0.375 5.960 -4.368 1.00 0.00 H new ATOM 0 HG12 ILE A 105 2.641 4.499 -5.797 1.00 0.00 H new ATOM 0 HG13 ILE A 105 2.253 6.193 -6.028 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.359 4.095 -3.093 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -0.337 3.827 -3.561 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.970 3.002 -4.443 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.157 5.930 -4.498 1.00 0.00 H new ATOM 0 HD12 ILE A 105 2.771 6.650 -3.645 1.00 0.00 H new ATOM 0 HD13 ILE A 105 3.164 4.930 -3.411 1.00 0.00 H new ATOM 1582 N LYS A 106 0.735 5.436 -8.383 1.00 0.00 N ATOM 1583 CA LYS A 106 1.453 5.179 -9.624 1.00 0.00 C ATOM 1584 C LYS A 106 2.939 4.998 -9.316 1.00 0.00 C ATOM 1585 O LYS A 106 3.451 5.675 -8.421 1.00 0.00 O ATOM 1586 CB LYS A 106 1.251 6.382 -10.560 1.00 0.00 C ATOM 1587 CG LYS A 106 1.292 6.023 -12.053 1.00 0.00 C ATOM 1588 CD LYS A 106 0.024 5.262 -12.482 1.00 0.00 C ATOM 1589 CE LYS A 106 0.010 4.979 -13.988 1.00 0.00 C ATOM 1590 NZ LYS A 106 -0.415 6.149 -14.779 1.00 0.00 N ATOM 0 H LYS A 106 0.378 6.389 -8.307 1.00 0.00 H new ATOM 0 HA LYS A 106 1.078 4.274 -10.103 1.00 0.00 H new ATOM 0 HB2 LYS A 106 0.292 6.848 -10.335 1.00 0.00 H new ATOM 0 HB3 LYS A 106 2.022 7.124 -10.354 1.00 0.00 H new ATOM 0 HG2 LYS A 106 1.390 6.933 -12.645 1.00 0.00 H new ATOM 0 HG3 LYS A 106 2.172 5.413 -12.258 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -0.037 4.321 -11.935 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -0.857 5.845 -12.214 1.00 0.00 H new ATOM 0 HE2 LYS A 106 1.006 4.672 -14.306 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -0.661 4.144 -14.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -0.408 5.906 -15.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -1.376 6.428 -14.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 0.239 6.940 -14.608 1.00 0.00 H new ATOM 1604 N ASP A 107 3.636 4.179 -10.107 1.00 0.00 N ATOM 1605 CA ASP A 107 5.054 3.824 -9.944 1.00 0.00 C ATOM 1606 C ASP A 107 5.330 3.064 -8.627 1.00 0.00 C ATOM 1607 O ASP A 107 6.490 2.833 -8.278 1.00 0.00 O ATOM 1608 CB ASP A 107 5.990 5.026 -10.188 1.00 0.00 C ATOM 1609 CG ASP A 107 5.985 5.540 -11.628 1.00 0.00 C ATOM 1610 OD1 ASP A 107 6.538 4.851 -12.520 1.00 0.00 O ATOM 1611 OD2 ASP A 107 5.409 6.625 -11.868 1.00 0.00 O ATOM 0 H ASP A 107 3.212 3.723 -10.915 1.00 0.00 H new ATOM 0 HA ASP A 107 5.295 3.110 -10.732 1.00 0.00 H new ATOM 0 HB2 ASP A 107 5.700 5.839 -9.522 1.00 0.00 H new ATOM 0 HB3 ASP A 107 7.007 4.741 -9.919 1.00 0.00 H new ATOM 1616 N GLY A 108 4.276 2.624 -7.922 1.00 0.00 N ATOM 1617 CA GLY A 108 4.295 1.805 -6.713 1.00 0.00 C ATOM 1618 C GLY A 108 5.301 2.302 -5.696 1.00 0.00 C ATOM 1619 O GLY A 108 5.319 3.488 -5.375 1.00 0.00 O ATOM 0 H GLY A 108 3.323 2.851 -8.207 1.00 0.00 H new ATOM 0 HA2 GLY A 108 3.301 1.800 -6.265 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.530 0.774 -6.979 1.00 0.00 H new ATOM 1623 N ALA A 109 6.101 1.393 -5.147 1.00 0.00 N ATOM 1624 CA ALA A 109 7.184 1.726 -4.253 1.00 0.00 C ATOM 1625 C ALA A 109 8.422 2.054 -5.069 1.00 0.00 C ATOM 1626 O ALA A 109 9.019 3.101 -4.834 1.00 0.00 O ATOM 1627 CB ALA A 109 7.461 0.560 -3.292 1.00 0.00 C ATOM 0 H ALA A 109 6.006 0.392 -5.319 1.00 0.00 H new ATOM 0 HA ALA A 109 6.909 2.595 -3.656 1.00 0.00 H new ATOM 0 HB1 ALA A 109 8.280 0.826 -2.624 1.00 0.00 H new ATOM 0 HB2 ALA A 109 6.567 0.352 -2.705 1.00 0.00 H new ATOM 0 HB3 ALA A 109 7.733 -0.327 -3.865 1.00 0.00 H new ATOM 1633 N GLU A 110 8.842 1.127 -5.936 1.00 0.00 N ATOM 1634 CA GLU A 110 10.188 1.105 -6.478 1.00 0.00 C ATOM 1635 C GLU A 110 10.460 2.253 -7.450 1.00 0.00 C ATOM 1636 O GLU A 110 11.620 2.637 -7.624 1.00 0.00 O ATOM 1637 CB GLU A 110 10.487 -0.220 -7.193 1.00 0.00 C ATOM 1638 CG GLU A 110 10.778 -1.401 -6.253 1.00 0.00 C ATOM 1639 CD GLU A 110 11.547 -2.507 -7.000 1.00 0.00 C ATOM 1640 OE1 GLU A 110 11.216 -2.810 -8.178 1.00 0.00 O ATOM 1641 OE2 GLU A 110 12.558 -3.021 -6.468 1.00 0.00 O ATOM 0 H GLU A 110 8.249 0.371 -6.278 1.00 0.00 H new ATOM 0 HA GLU A 110 10.845 1.220 -5.616 1.00 0.00 H new ATOM 0 HB2 GLU A 110 9.637 -0.477 -7.826 1.00 0.00 H new ATOM 0 HB3 GLU A 110 11.343 -0.077 -7.852 1.00 0.00 H new ATOM 0 HG2 GLU A 110 11.361 -1.058 -5.398 1.00 0.00 H new ATOM 0 HG3 GLU A 110 9.843 -1.801 -5.861 1.00 0.00 H new ATOM 1648 N GLY A 111 9.439 2.770 -8.138 1.00 0.00 N ATOM 1649 CA GLY A 111 9.656 3.536 -9.355 1.00 0.00 C ATOM 1650 C GLY A 111 10.345 4.883 -9.119 1.00 0.00 C ATOM 1651 O GLY A 111 10.338 5.405 -8.000 1.00 0.00 O ATOM 0 H GLY A 111 8.460 2.670 -7.870 1.00 0.00 H new ATOM 0 HA2 GLY A 111 10.260 2.945 -10.043 1.00 0.00 H new ATOM 0 HA3 GLY A 111 8.696 3.709 -9.841 1.00 0.00 H new ATOM 1655 N PRO A 112 10.864 5.531 -10.179 1.00 0.00 N ATOM 1656 CA PRO A 112 11.491 6.855 -10.090 1.00 0.00 C ATOM 1657 C PRO A 112 10.523 7.949 -9.626 1.00 0.00 C ATOM 1658 O PRO A 112 10.945 9.065 -9.311 1.00 0.00 O ATOM 1659 CB PRO A 112 12.022 7.155 -11.496 1.00 0.00 C ATOM 1660 CG PRO A 112 11.218 6.238 -12.419 1.00 0.00 C ATOM 1661 CD PRO A 112 10.922 5.025 -11.542 1.00 0.00 C ATOM 0 HA PRO A 112 12.282 6.847 -9.340 1.00 0.00 H new ATOM 0 HB2 PRO A 112 11.880 8.204 -11.758 1.00 0.00 H new ATOM 0 HB3 PRO A 112 13.090 6.951 -11.568 1.00 0.00 H new ATOM 0 HG2 PRO A 112 10.302 6.718 -12.764 1.00 0.00 H new ATOM 0 HG3 PRO A 112 11.787 5.963 -13.307 1.00 0.00 H new ATOM 0 HD2 PRO A 112 9.980 4.557 -11.826 1.00 0.00 H new ATOM 0 HD3 PRO A 112 11.699 4.267 -11.646 1.00 0.00 H new ATOM 1669 N ARG A 113 9.226 7.653 -9.601 1.00 0.00 N ATOM 1670 CA ARG A 113 8.157 8.501 -9.107 1.00 0.00 C ATOM 1671 C ARG A 113 7.243 7.732 -8.152 1.00 0.00 C ATOM 1672 O ARG A 113 6.112 8.165 -7.938 1.00 0.00 O ATOM 1673 CB ARG A 113 7.388 9.064 -10.311 1.00 0.00 C ATOM 1674 CG ARG A 113 8.139 10.229 -10.967 1.00 0.00 C ATOM 1675 CD ARG A 113 7.377 10.789 -12.174 1.00 0.00 C ATOM 1676 NE ARG A 113 5.963 11.079 -11.876 1.00 0.00 N ATOM 1677 CZ ARG A 113 5.501 12.051 -11.082 1.00 0.00 C ATOM 1678 NH1 ARG A 113 6.319 12.992 -10.619 1.00 0.00 N ATOM 1679 NH2 ARG A 113 4.218 12.066 -10.740 1.00 0.00 N ATOM 0 H ARG A 113 8.878 6.759 -9.947 1.00 0.00 H new ATOM 0 HA ARG A 113 8.573 9.329 -8.533 1.00 0.00 H new ATOM 0 HB2 ARG A 113 7.230 8.273 -11.044 1.00 0.00 H new ATOM 0 HB3 ARG A 113 6.403 9.401 -9.989 1.00 0.00 H new ATOM 0 HG2 ARG A 113 8.292 11.021 -10.234 1.00 0.00 H new ATOM 0 HG3 ARG A 113 9.126 9.893 -11.284 1.00 0.00 H new ATOM 0 HD2 ARG A 113 7.866 11.702 -12.514 1.00 0.00 H new ATOM 0 HD3 ARG A 113 7.431 10.074 -12.995 1.00 0.00 H new ATOM 0 HE ARG A 113 5.268 10.479 -12.319 1.00 0.00 H new ATOM 0 HH11 ARG A 113 7.308 12.976 -10.869 1.00 0.00 H new ATOM 0 HH12 ARG A 113 5.958 13.729 -10.014 1.00 0.00 H new ATOM 0 HH21 ARG A 113 3.590 11.339 -11.083 1.00 0.00 H new ATOM 0 HH22 ARG A 113 3.860 12.805 -10.135 1.00 0.00 H new ATOM 1693 N GLY A 114 7.670 6.571 -7.655 1.00 0.00 N ATOM 1694 CA GLY A 114 6.897 5.784 -6.715 1.00 0.00 C ATOM 1695 C GLY A 114 7.002 6.412 -5.332 1.00 0.00 C ATOM 1696 O GLY A 114 7.362 7.581 -5.179 1.00 0.00 O ATOM 0 H GLY A 114 8.568 6.154 -7.899 1.00 0.00 H new ATOM 0 HA2 GLY A 114 5.854 5.740 -7.030 1.00 0.00 H new ATOM 0 HA3 GLY A 114 7.266 4.759 -6.691 1.00 0.00 H new ATOM 1700 N TRP A 115 6.680 5.636 -4.304 1.00 0.00 N ATOM 1701 CA TRP A 115 6.846 6.031 -2.917 1.00 0.00 C ATOM 1702 C TRP A 115 8.305 6.425 -2.681 1.00 0.00 C ATOM 1703 O TRP A 115 8.577 7.453 -2.058 1.00 0.00 O ATOM 1704 CB TRP A 115 6.466 4.852 -2.014 1.00 0.00 C ATOM 1705 CG TRP A 115 6.259 5.184 -0.571 1.00 0.00 C ATOM 1706 CD1 TRP A 115 7.244 5.382 0.333 1.00 0.00 C ATOM 1707 CD2 TRP A 115 5.009 5.369 0.151 1.00 0.00 C ATOM 1708 NE1 TRP A 115 6.694 5.634 1.573 1.00 0.00 N ATOM 1709 CE2 TRP A 115 5.315 5.655 1.516 1.00 0.00 C ATOM 1710 CE3 TRP A 115 3.646 5.329 -0.214 1.00 0.00 C ATOM 1711 CZ2 TRP A 115 4.312 5.890 2.467 1.00 0.00 C ATOM 1712 CZ3 TRP A 115 2.632 5.542 0.737 1.00 0.00 C ATOM 1713 CH2 TRP A 115 2.964 5.814 2.075 1.00 0.00 C ATOM 0 H TRP A 115 6.290 4.700 -4.416 1.00 0.00 H new ATOM 0 HA TRP A 115 6.204 6.881 -2.687 1.00 0.00 H new ATOM 0 HB2 TRP A 115 5.551 4.402 -2.400 1.00 0.00 H new ATOM 0 HB3 TRP A 115 7.248 4.096 -2.086 1.00 0.00 H new ATOM 0 HD1 TRP A 115 8.302 5.348 0.117 1.00 0.00 H new ATOM 0 HE1 TRP A 115 7.237 5.785 2.423 1.00 0.00 H new ATOM 0 HE3 TRP A 115 3.377 5.131 -1.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 4.572 6.127 3.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 1.595 5.496 0.438 1.00 0.00 H new ATOM 0 HH2 TRP A 115 2.182 5.965 2.804 1.00 0.00 H new ATOM 1724 N LEU A 116 9.240 5.581 -3.124 1.00 0.00 N ATOM 1725 CA LEU A 116 10.643 5.807 -3.060 1.00 0.00 C ATOM 1726 C LEU A 116 10.972 6.854 -4.111 1.00 0.00 C ATOM 1727 O LEU A 116 10.181 7.248 -4.969 1.00 0.00 O ATOM 1728 CB LEU A 116 11.412 4.490 -3.277 1.00 0.00 C ATOM 1729 CG LEU A 116 11.080 3.398 -2.242 1.00 0.00 C ATOM 1730 CD1 LEU A 116 11.778 2.086 -2.623 1.00 0.00 C ATOM 1731 CD2 LEU A 116 11.484 3.801 -0.819 1.00 0.00 C ATOM 0 H LEU A 116 9.004 4.686 -3.553 1.00 0.00 H new ATOM 0 HA LEU A 116 10.946 6.170 -2.078 1.00 0.00 H new ATOM 0 HB2 LEU A 116 11.191 4.111 -4.275 1.00 0.00 H new ATOM 0 HB3 LEU A 116 12.482 4.695 -3.244 1.00 0.00 H new ATOM 0 HG LEU A 116 9.998 3.263 -2.251 1.00 0.00 H new ATOM 0 HD11 LEU A 116 11.538 1.319 -1.886 1.00 0.00 H new ATOM 0 HD12 LEU A 116 11.436 1.764 -3.607 1.00 0.00 H new ATOM 0 HD13 LEU A 116 12.857 2.241 -2.647 1.00 0.00 H new ATOM 0 HD21 LEU A 116 11.229 2.998 -0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 116 12.558 3.983 -0.784 1.00 0.00 H new ATOM 0 HD23 LEU A 116 10.952 4.709 -0.533 1.00 0.00 H new ATOM 1743 N ASN A 117 12.177 7.339 -3.960 1.00 0.00 N ATOM 1744 CA ASN A 117 12.793 8.487 -4.643 1.00 0.00 C ATOM 1745 C ASN A 117 11.999 9.808 -4.492 1.00 0.00 C ATOM 1746 O ASN A 117 12.421 10.825 -5.032 1.00 0.00 O ATOM 1747 CB ASN A 117 13.056 8.117 -6.119 1.00 0.00 C ATOM 1748 CG ASN A 117 13.913 9.122 -6.886 1.00 0.00 C ATOM 1749 OD1 ASN A 117 15.031 9.434 -6.489 1.00 0.00 O ATOM 1750 ND2 ASN A 117 13.458 9.585 -8.037 1.00 0.00 N ATOM 0 H ASN A 117 12.826 6.913 -3.298 1.00 0.00 H new ATOM 0 HA ASN A 117 13.743 8.695 -4.151 1.00 0.00 H new ATOM 0 HB2 ASN A 117 13.544 7.143 -6.154 1.00 0.00 H new ATOM 0 HB3 ASN A 117 12.099 8.012 -6.629 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.037 10.206 -8.602 1.00 0.00 H new ATOM 0 HD22 ASN A 117 12.527 9.321 -8.361 1.00 0.00 H new ATOM 1757 N SER A 118 10.897 9.855 -3.729 1.00 0.00 N ATOM 1758 CA SER A 118 9.947 10.977 -3.696 1.00 0.00 C ATOM 1759 C SER A 118 9.922 11.729 -2.352 1.00 0.00 C ATOM 1760 O SER A 118 8.954 12.434 -2.054 1.00 0.00 O ATOM 1761 CB SER A 118 8.554 10.461 -4.091 1.00 0.00 C ATOM 1762 OG SER A 118 8.581 9.906 -5.392 1.00 0.00 O ATOM 0 H SER A 118 10.635 9.094 -3.102 1.00 0.00 H new ATOM 0 HA SER A 118 10.284 11.721 -4.418 1.00 0.00 H new ATOM 0 HB2 SER A 118 8.222 9.709 -3.375 1.00 0.00 H new ATOM 0 HB3 SER A 118 7.833 11.278 -4.053 1.00 0.00 H new ATOM 0 HG SER A 118 7.881 9.225 -5.472 1.00 0.00 H new ATOM 1768 N SER A 119 10.962 11.600 -1.524 1.00 0.00 N ATOM 1769 CA SER A 119 11.039 12.177 -0.180 1.00 0.00 C ATOM 1770 C SER A 119 9.903 11.673 0.724 1.00 0.00 C ATOM 1771 O SER A 119 9.343 12.431 1.524 1.00 0.00 O ATOM 1772 CB SER A 119 11.165 13.711 -0.244 1.00 0.00 C ATOM 1773 OG SER A 119 11.754 14.223 0.941 1.00 0.00 O ATOM 0 H SER A 119 11.799 11.075 -1.778 1.00 0.00 H new ATOM 0 HA SER A 119 11.953 11.824 0.298 1.00 0.00 H new ATOM 0 HB2 SER A 119 11.769 13.994 -1.106 1.00 0.00 H new ATOM 0 HB3 SER A 119 10.180 14.155 -0.386 1.00 0.00 H new ATOM 0 HG SER A 119 11.825 15.198 0.876 1.00 0.00 H new ATOM 1779 N LEU A 120 9.558 10.383 0.624 1.00 0.00 N ATOM 1780 CA LEU A 120 8.656 9.723 1.567 1.00 0.00 C ATOM 1781 C LEU A 120 9.442 8.799 2.494 1.00 0.00 C ATOM 1782 O LEU A 120 10.504 8.309 2.098 1.00 0.00 O ATOM 1783 CB LEU A 120 7.552 8.958 0.826 1.00 0.00 C ATOM 1784 CG LEU A 120 6.515 9.869 0.151 1.00 0.00 C ATOM 1785 CD1 LEU A 120 5.412 9.014 -0.476 1.00 0.00 C ATOM 1786 CD2 LEU A 120 5.913 10.830 1.184 1.00 0.00 C ATOM 0 H LEU A 120 9.899 9.769 -0.116 1.00 0.00 H new ATOM 0 HA LEU A 120 8.174 10.487 2.177 1.00 0.00 H new ATOM 0 HB2 LEU A 120 8.009 8.320 0.070 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.042 8.301 1.531 1.00 0.00 H new ATOM 0 HG LEU A 120 7.002 10.453 -0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.677 9.662 -0.954 1.00 0.00 H new ATOM 0 HD12 LEU A 120 5.847 8.347 -1.220 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.925 8.423 0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.179 11.473 0.698 1.00 0.00 H new ATOM 0 HD22 LEU A 120 5.428 10.257 1.974 1.00 0.00 H new ATOM 0 HD23 LEU A 120 6.704 11.444 1.614 1.00 0.00 H new ATOM 1798 N PRO A 121 8.950 8.572 3.722 1.00 0.00 N ATOM 1799 CA PRO A 121 9.646 7.769 4.718 1.00 0.00 C ATOM 1800 C PRO A 121 9.521 6.267 4.419 1.00 0.00 C ATOM 1801 O PRO A 121 8.574 5.827 3.753 1.00 0.00 O ATOM 1802 CB PRO A 121 8.974 8.150 6.038 1.00 0.00 C ATOM 1803 CG PRO A 121 7.551 8.509 5.640 1.00 0.00 C ATOM 1804 CD PRO A 121 7.704 9.111 4.259 1.00 0.00 C ATOM 0 HA PRO A 121 10.719 7.959 4.735 1.00 0.00 H new ATOM 0 HB2 PRO A 121 8.993 7.323 6.748 1.00 0.00 H new ATOM 0 HB3 PRO A 121 9.479 8.991 6.514 1.00 0.00 H new ATOM 0 HG2 PRO A 121 6.906 7.630 5.624 1.00 0.00 H new ATOM 0 HG3 PRO A 121 7.107 9.218 6.339 1.00 0.00 H new ATOM 0 HD2 PRO A 121 6.859 8.848 3.623 1.00 0.00 H new ATOM 0 HD3 PRO A 121 7.739 10.199 4.309 1.00 0.00 H new ATOM 1812 N TRP A 122 10.442 5.459 4.951 1.00 0.00 N ATOM 1813 CA TRP A 122 10.480 4.013 4.734 1.00 0.00 C ATOM 1814 C TRP A 122 10.886 3.286 6.022 1.00 0.00 C ATOM 1815 O TRP A 122 11.417 3.908 6.946 1.00 0.00 O ATOM 1816 CB TRP A 122 11.426 3.720 3.563 1.00 0.00 C ATOM 1817 CG TRP A 122 11.265 2.367 2.958 1.00 0.00 C ATOM 1818 CD1 TRP A 122 12.089 1.316 3.150 1.00 0.00 C ATOM 1819 CD2 TRP A 122 10.215 1.905 2.061 1.00 0.00 C ATOM 1820 NE1 TRP A 122 11.627 0.235 2.417 1.00 0.00 N ATOM 1821 CE2 TRP A 122 10.444 0.532 1.766 1.00 0.00 C ATOM 1822 CE3 TRP A 122 9.101 2.522 1.456 1.00 0.00 C ATOM 1823 CZ2 TRP A 122 9.565 -0.205 0.957 1.00 0.00 C ATOM 1824 CZ3 TRP A 122 8.222 1.794 0.633 1.00 0.00 C ATOM 1825 CH2 TRP A 122 8.441 0.426 0.403 1.00 0.00 C ATOM 0 H TRP A 122 11.193 5.797 5.553 1.00 0.00 H new ATOM 0 HA TRP A 122 9.490 3.639 4.474 1.00 0.00 H new ATOM 0 HB2 TRP A 122 11.268 4.471 2.789 1.00 0.00 H new ATOM 0 HB3 TRP A 122 12.454 3.829 3.908 1.00 0.00 H new ATOM 0 HD1 TRP A 122 12.969 1.317 3.776 1.00 0.00 H new ATOM 0 HE1 TRP A 122 12.100 -0.667 2.364 1.00 0.00 H new ATOM 0 HE3 TRP A 122 8.919 3.573 1.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 122 9.753 -1.251 0.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 122 7.377 2.288 0.177 1.00 0.00 H new ATOM 0 HH2 TRP A 122 7.745 -0.139 -0.199 1.00 0.00 H new ATOM 1836 N ILE A 123 10.612 1.983 6.131 1.00 0.00 N ATOM 1837 CA ILE A 123 10.941 1.167 7.304 1.00 0.00 C ATOM 1838 C ILE A 123 12.192 0.355 7.053 1.00 0.00 C ATOM 1839 O ILE A 123 12.981 0.262 7.994 1.00 0.00 O ATOM 1840 CB ILE A 123 9.757 0.274 7.775 1.00 0.00 C ATOM 1841 CG1 ILE A 123 8.610 1.178 8.240 1.00 0.00 C ATOM 1842 CG2 ILE A 123 10.154 -0.696 8.900 1.00 0.00 C ATOM 1843 CD1 ILE A 123 7.386 0.469 8.820 1.00 0.00 C ATOM 0 H ILE A 123 10.146 1.455 5.393 1.00 0.00 H new ATOM 0 HA ILE A 123 11.137 1.855 8.127 1.00 0.00 H new ATOM 0 HB ILE A 123 9.445 -0.340 6.931 1.00 0.00 H new ATOM 0 HG12 ILE A 123 8.998 1.864 8.993 1.00 0.00 H new ATOM 0 HG13 ILE A 123 8.286 1.784 7.394 1.00 0.00 H new ATOM 0 HG21 ILE A 123 9.289 -1.293 9.188 1.00 0.00 H new ATOM 0 HG22 ILE A 123 10.949 -1.355 8.549 1.00 0.00 H new ATOM 0 HG23 ILE A 123 10.507 -0.129 9.762 1.00 0.00 H new ATOM 0 HD11 ILE A 123 6.642 1.209 9.114 1.00 0.00 H new ATOM 0 HD12 ILE A 123 6.960 -0.195 8.068 1.00 0.00 H new ATOM 0 HD13 ILE A 123 7.682 -0.114 9.692 1.00 0.00 H new ATOM 1855 N GLU A 124 12.357 -0.194 5.843 1.00 0.00 N ATOM 1856 CA GLU A 124 13.497 -1.003 5.391 1.00 0.00 C ATOM 1857 C GLU A 124 13.627 -2.338 6.165 1.00 0.00 C ATOM 1858 O GLU A 124 13.029 -2.493 7.234 1.00 0.00 O ATOM 1859 CB GLU A 124 14.736 -0.102 5.282 1.00 0.00 C ATOM 1860 CG GLU A 124 15.454 0.254 6.558 1.00 0.00 C ATOM 1861 CD GLU A 124 16.945 0.538 6.420 1.00 0.00 C ATOM 1862 OE1 GLU A 124 17.416 0.928 5.324 1.00 0.00 O ATOM 1863 OE2 GLU A 124 17.623 0.425 7.459 1.00 0.00 O ATOM 0 H GLU A 124 11.657 -0.079 5.110 1.00 0.00 H new ATOM 0 HA GLU A 124 13.340 -1.381 4.381 1.00 0.00 H new ATOM 0 HB2 GLU A 124 15.450 -0.592 4.620 1.00 0.00 H new ATOM 0 HB3 GLU A 124 14.435 0.826 4.796 1.00 0.00 H new ATOM 0 HG2 GLU A 124 14.974 1.132 6.991 1.00 0.00 H new ATOM 0 HG3 GLU A 124 15.323 -0.563 7.267 1.00 0.00 H new ATOM 1870 N PRO A 125 14.351 -3.343 5.642 1.00 0.00 N ATOM 1871 CA PRO A 125 14.600 -4.592 6.352 1.00 0.00 C ATOM 1872 C PRO A 125 15.491 -4.336 7.570 1.00 0.00 C ATOM 1873 O PRO A 125 15.035 -4.365 8.714 1.00 0.00 O ATOM 1874 CB PRO A 125 15.269 -5.516 5.330 1.00 0.00 C ATOM 1875 CG PRO A 125 15.907 -4.590 4.298 1.00 0.00 C ATOM 1876 CD PRO A 125 15.078 -3.311 4.381 1.00 0.00 C ATOM 0 HA PRO A 125 13.687 -5.045 6.738 1.00 0.00 H new ATOM 0 HB2 PRO A 125 16.018 -6.149 5.805 1.00 0.00 H new ATOM 0 HB3 PRO A 125 14.540 -6.179 4.864 1.00 0.00 H new ATOM 0 HG2 PRO A 125 16.956 -4.401 4.527 1.00 0.00 H new ATOM 0 HG3 PRO A 125 15.872 -5.023 3.298 1.00 0.00 H new ATOM 0 HD2 PRO A 125 15.722 -2.433 4.332 1.00 0.00 H new ATOM 0 HD3 PRO A 125 14.386 -3.247 3.541 1.00 0.00 H new