USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 728 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 NoAdj-H: A 98 SER H : A 98 SER N : A 33 ASP O :(H bumps) USER MOD Set 1.1: A 111 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 113 ASN : amide:sc= -2.36! K(o=-2.4!,f=-1.3) USER MOD Set 2.1: A 53 SER OG : rot 180:sc= 0.0211 USER MOD Set 2.2: A 65 THR OG1 : rot 173:sc= -0.284 USER MOD Set 3.1: A 27 GLN : amide:sc= -0.602 K(o=-53,f=-42) USER MOD Set 3.2: A 32 TYR OH : rot 0:sc= 0.507 USER MOD Set 3.3: A 103 ASN : amide:sc= -52.4! C(o=-53!,f=-42!) USER MOD Single : A 1 ALA N :NH3+ 144:sc= 0.0823 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.732 USER MOD Single : A 8 THR OG1 : rot 180:sc= -3.5! USER MOD Single : A 10 SER OG : rot -25:sc= -4.94! USER MOD Single : A 11 SER OG : rot 22:sc= 1.01 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 87:sc= 1.27 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -170:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -17.1! C(o=-17!,f=-16!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -5.73! C(o=-5.7!,f=-19!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.05 K(o=-0.05,f=-2.1!) USER MOD Single : A 62 SER OG : rot 39:sc= 0.349 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 67:sc= -0.0874 USER MOD Single : A 72 SER OG : rot 74:sc= 0.959 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 92:sc= 0.149 USER MOD Single : A 89 THR OG1 : rot 170:sc= -0.753 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -8.41! C(o=-8.4!,f=-20!) USER MOD Single : A 98 SER OG : rot -26:sc= 0.234 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.779 13.632 -5.271 1.00 0.00 N ATOM 2 CA ALA A 1 0.640 13.498 -5.531 1.00 0.00 C ATOM 3 C ALA A 1 1.249 12.496 -4.561 1.00 0.00 C ATOM 4 O ALA A 1 0.749 12.320 -3.452 1.00 0.00 O ATOM 5 CB ALA A 1 1.312 14.861 -5.394 1.00 0.00 C ATOM 0 H1 ALA A 1 -1.068 14.619 -5.425 1.00 0.00 H new ATOM 0 H2 ALA A 1 -1.310 13.011 -5.915 1.00 0.00 H new ATOM 0 H3 ALA A 1 -0.979 13.362 -4.287 1.00 0.00 H new ATOM 0 HA ALA A 1 0.795 13.132 -6.546 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.380 14.762 -5.589 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.875 15.556 -6.111 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.162 15.241 -4.383 1.00 0.00 H new ATOM 11 N ALA A 2 2.332 11.837 -4.981 1.00 0.00 N ATOM 12 CA ALA A 2 3.001 10.857 -4.150 1.00 0.00 C ATOM 13 C ALA A 2 4.321 11.423 -3.647 1.00 0.00 C ATOM 14 O ALA A 2 5.188 11.781 -4.441 1.00 0.00 O ATOM 15 CB ALA A 2 3.232 9.581 -4.955 1.00 0.00 C ATOM 0 H ALA A 2 2.759 11.972 -5.898 1.00 0.00 H new ATOM 0 HA ALA A 2 2.378 10.619 -3.288 1.00 0.00 H new ATOM 0 HB1 ALA A 2 3.735 8.843 -4.331 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.274 9.182 -5.287 1.00 0.00 H new ATOM 0 HB3 ALA A 2 3.852 9.806 -5.823 1.00 0.00 H new ATOM 21 N PRO A 3 4.472 11.504 -2.323 1.00 0.00 N ATOM 22 CA PRO A 3 5.656 12.013 -1.666 1.00 0.00 C ATOM 23 C PRO A 3 6.790 11.007 -1.805 1.00 0.00 C ATOM 24 O PRO A 3 6.623 9.964 -2.434 1.00 0.00 O ATOM 25 CB PRO A 3 5.251 12.183 -0.204 1.00 0.00 C ATOM 26 CG PRO A 3 4.197 11.093 -0.016 1.00 0.00 C ATOM 27 CD PRO A 3 3.473 11.092 -1.361 1.00 0.00 C ATOM 0 HA PRO A 3 6.009 12.951 -2.095 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.098 12.047 0.469 1.00 0.00 H new ATOM 0 HB3 PRO A 3 4.845 13.176 -0.009 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.649 10.125 0.201 1.00 0.00 H new ATOM 0 HG3 PRO A 3 3.521 11.321 0.808 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.081 10.103 -1.598 1.00 0.00 H new ATOM 0 HD3 PRO A 3 2.625 11.777 -1.354 1.00 0.00 H new ATOM 35 N THR A 4 7.946 11.321 -1.216 1.00 0.00 N ATOM 36 CA THR A 4 9.096 10.442 -1.279 1.00 0.00 C ATOM 37 C THR A 4 9.177 9.601 -0.013 1.00 0.00 C ATOM 38 O THR A 4 9.468 10.120 1.062 1.00 0.00 O ATOM 39 CB THR A 4 10.362 11.275 -1.458 1.00 0.00 C ATOM 40 OG1 THR A 4 11.241 10.610 -2.338 1.00 0.00 O ATOM 41 CG2 THR A 4 11.042 11.463 -0.105 1.00 0.00 C ATOM 0 H THR A 4 8.102 12.181 -0.691 1.00 0.00 H new ATOM 0 HA THR A 4 8.996 9.768 -2.130 1.00 0.00 H new ATOM 0 HB THR A 4 10.101 12.249 -1.872 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.054 11.145 -2.455 1.00 0.00 H new ATOM 0 HG21 THR A 4 11.946 12.058 -0.232 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.363 11.976 0.575 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.303 10.489 0.309 1.00 0.00 H new ATOM 49 N ALA A 5 8.920 8.298 -0.144 1.00 0.00 N ATOM 50 CA ALA A 5 8.964 7.393 0.987 1.00 0.00 C ATOM 51 C ALA A 5 9.886 6.223 0.675 1.00 0.00 C ATOM 52 O ALA A 5 10.117 5.906 -0.490 1.00 0.00 O ATOM 53 CB ALA A 5 7.554 6.902 1.300 1.00 0.00 C ATOM 0 H ALA A 5 8.679 7.853 -1.029 1.00 0.00 H new ATOM 0 HA ALA A 5 9.355 7.915 1.861 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.586 6.221 2.151 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.917 7.753 1.541 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.150 6.380 0.433 1.00 0.00 H new ATOM 59 N THR A 6 10.414 5.580 1.719 1.00 0.00 N ATOM 60 CA THR A 6 11.305 4.451 1.547 1.00 0.00 C ATOM 61 C THR A 6 10.659 3.190 2.103 1.00 0.00 C ATOM 62 O THR A 6 10.387 3.104 3.298 1.00 0.00 O ATOM 63 CB THR A 6 12.628 4.736 2.252 1.00 0.00 C ATOM 64 OG1 THR A 6 12.387 5.503 3.410 1.00 0.00 O ATOM 65 CG2 THR A 6 13.549 5.509 1.312 1.00 0.00 C ATOM 0 H THR A 6 10.234 5.830 2.691 1.00 0.00 H new ATOM 0 HA THR A 6 11.499 4.296 0.486 1.00 0.00 H new ATOM 0 HB THR A 6 13.101 3.795 2.531 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.236 5.685 3.864 1.00 0.00 H new ATOM 0 HG21 THR A 6 14.494 5.713 1.815 1.00 0.00 H new ATOM 0 HG22 THR A 6 13.735 4.916 0.416 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.076 6.451 1.032 1.00 0.00 H new ATOM 73 N VAL A 7 10.413 2.210 1.230 1.00 0.00 N ATOM 74 CA VAL A 7 9.801 0.960 1.635 1.00 0.00 C ATOM 75 C VAL A 7 10.791 -0.181 1.450 1.00 0.00 C ATOM 76 O VAL A 7 11.575 -0.178 0.504 1.00 0.00 O ATOM 77 CB VAL A 7 8.539 0.722 0.811 1.00 0.00 C ATOM 78 CG1 VAL A 7 7.884 -0.585 1.250 1.00 0.00 C ATOM 79 CG2 VAL A 7 7.565 1.877 1.027 1.00 0.00 C ATOM 0 H VAL A 7 10.633 2.267 0.236 1.00 0.00 H new ATOM 0 HA VAL A 7 9.526 1.009 2.689 1.00 0.00 H new ATOM 0 HB VAL A 7 8.801 0.660 -0.245 1.00 0.00 H new ATOM 0 HG11 VAL A 7 6.982 -0.756 0.662 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.579 -1.410 1.096 1.00 0.00 H new ATOM 0 HG13 VAL A 7 7.622 -0.524 2.306 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.663 1.707 0.439 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.303 1.939 2.083 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.032 2.811 0.714 1.00 0.00 H new ATOM 89 N THR A 8 10.754 -1.160 2.357 1.00 0.00 N ATOM 90 CA THR A 8 11.646 -2.299 2.285 1.00 0.00 C ATOM 91 C THR A 8 11.262 -3.184 1.108 1.00 0.00 C ATOM 92 O THR A 8 10.179 -3.040 0.546 1.00 0.00 O ATOM 93 CB THR A 8 11.579 -3.081 3.594 1.00 0.00 C ATOM 94 OG1 THR A 8 12.884 -3.414 4.009 1.00 0.00 O ATOM 95 CG2 THR A 8 10.770 -4.358 3.383 1.00 0.00 C ATOM 0 H THR A 8 10.111 -1.178 3.148 1.00 0.00 H new ATOM 0 HA THR A 8 12.669 -1.954 2.135 1.00 0.00 H new ATOM 0 HB THR A 8 11.099 -2.470 4.359 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.842 -3.915 4.850 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.722 -4.917 4.318 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.761 -4.100 3.062 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.249 -4.970 2.619 1.00 0.00 H new ATOM 103 N PRO A 9 12.156 -4.104 0.736 1.00 0.00 N ATOM 104 CA PRO A 9 11.964 -5.033 -0.356 1.00 0.00 C ATOM 105 C PRO A 9 10.940 -6.086 0.043 1.00 0.00 C ATOM 106 O PRO A 9 11.158 -6.839 0.990 1.00 0.00 O ATOM 107 CB PRO A 9 13.337 -5.662 -0.581 1.00 0.00 C ATOM 108 CG PRO A 9 13.960 -5.622 0.813 1.00 0.00 C ATOM 109 CD PRO A 9 13.439 -4.301 1.375 1.00 0.00 C ATOM 0 HA PRO A 9 11.590 -4.553 -1.261 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.258 -6.681 -0.960 1.00 0.00 H new ATOM 0 HB3 PRO A 9 13.927 -5.098 -1.304 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.648 -6.472 1.420 1.00 0.00 H new ATOM 0 HG3 PRO A 9 15.049 -5.643 0.771 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.337 -4.346 2.459 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.121 -3.481 1.152 1.00 0.00 H new ATOM 117 N SER A 10 9.820 -6.137 -0.682 1.00 0.00 N ATOM 118 CA SER A 10 8.771 -7.096 -0.399 1.00 0.00 C ATOM 119 C SER A 10 8.412 -7.858 -1.667 1.00 0.00 C ATOM 120 O SER A 10 7.353 -8.478 -1.742 1.00 0.00 O ATOM 121 CB SER A 10 7.552 -6.365 0.157 1.00 0.00 C ATOM 122 OG SER A 10 6.530 -7.298 0.431 1.00 0.00 O ATOM 0 H SER A 10 9.624 -5.520 -1.470 1.00 0.00 H new ATOM 0 HA SER A 10 9.119 -7.813 0.345 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.821 -5.826 1.066 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.200 -5.624 -0.561 1.00 0.00 H new ATOM 0 HG SER A 10 6.651 -8.091 -0.132 1.00 0.00 H new ATOM 128 N SER A 11 9.298 -7.811 -2.664 1.00 0.00 N ATOM 129 CA SER A 11 9.071 -8.497 -3.920 1.00 0.00 C ATOM 130 C SER A 11 9.685 -9.889 -3.867 1.00 0.00 C ATOM 131 O SER A 11 10.905 -10.030 -3.829 1.00 0.00 O ATOM 132 CB SER A 11 9.675 -7.683 -5.060 1.00 0.00 C ATOM 133 OG SER A 11 11.082 -7.732 -4.979 1.00 0.00 O ATOM 0 H SER A 11 10.180 -7.301 -2.617 1.00 0.00 H new ATOM 0 HA SER A 11 8.000 -8.601 -4.093 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.341 -8.078 -6.020 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.333 -6.650 -5.004 1.00 0.00 H new ATOM 0 HG SER A 11 11.353 -8.519 -4.462 1.00 0.00 H new ATOM 139 N GLY A 12 8.835 -10.919 -3.866 1.00 0.00 N ATOM 140 CA GLY A 12 9.302 -12.290 -3.818 1.00 0.00 C ATOM 141 C GLY A 12 9.444 -12.749 -2.373 1.00 0.00 C ATOM 142 O GLY A 12 10.230 -13.647 -2.079 1.00 0.00 O ATOM 0 H GLY A 12 7.820 -10.820 -3.898 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.603 -12.938 -4.346 1.00 0.00 H new ATOM 0 HA3 GLY A 12 10.261 -12.373 -4.329 1.00 0.00 H new ATOM 146 N LEU A 13 8.679 -12.130 -1.471 1.00 0.00 N ATOM 147 CA LEU A 13 8.722 -12.476 -0.065 1.00 0.00 C ATOM 148 C LEU A 13 7.444 -13.205 0.327 1.00 0.00 C ATOM 149 O LEU A 13 6.357 -12.836 -0.112 1.00 0.00 O ATOM 150 CB LEU A 13 8.896 -11.208 0.766 1.00 0.00 C ATOM 151 CG LEU A 13 9.847 -10.256 0.046 1.00 0.00 C ATOM 152 CD1 LEU A 13 10.556 -9.374 1.069 1.00 0.00 C ATOM 153 CD2 LEU A 13 10.882 -11.063 -0.734 1.00 0.00 C ATOM 0 H LEU A 13 8.022 -11.384 -1.700 1.00 0.00 H new ATOM 0 HA LEU A 13 9.567 -13.138 0.124 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.931 -10.727 0.921 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.290 -11.457 1.751 1.00 0.00 H new ATOM 0 HG LEU A 13 9.280 -9.630 -0.643 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.235 -8.694 0.555 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.818 -8.797 1.626 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.122 -10.000 1.759 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.561 -10.383 -1.248 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.449 -11.690 -0.046 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.376 -11.693 -1.466 1.00 0.00 H new ATOM 165 N SER A 14 7.578 -14.243 1.156 1.00 0.00 N ATOM 166 CA SER A 14 6.436 -15.015 1.602 1.00 0.00 C ATOM 167 C SER A 14 5.554 -14.161 2.501 1.00 0.00 C ATOM 168 O SER A 14 6.054 -13.334 3.261 1.00 0.00 O ATOM 169 CB SER A 14 6.921 -16.257 2.344 1.00 0.00 C ATOM 170 OG SER A 14 7.891 -16.921 1.563 1.00 0.00 O ATOM 0 H SER A 14 8.473 -14.562 1.528 1.00 0.00 H new ATOM 0 HA SER A 14 5.846 -15.329 0.741 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.345 -15.976 3.308 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.083 -16.924 2.547 1.00 0.00 H new ATOM 0 HG SER A 14 8.205 -17.718 2.039 1.00 0.00 H new ATOM 176 N ASP A 15 4.237 -14.363 2.415 1.00 0.00 N ATOM 177 CA ASP A 15 3.294 -13.612 3.219 1.00 0.00 C ATOM 178 C ASP A 15 3.746 -13.606 4.672 1.00 0.00 C ATOM 179 O ASP A 15 4.346 -14.571 5.140 1.00 0.00 O ATOM 180 CB ASP A 15 1.906 -14.233 3.086 1.00 0.00 C ATOM 181 CG ASP A 15 1.934 -15.710 3.453 1.00 0.00 C ATOM 182 OD1 ASP A 15 2.898 -16.382 3.027 1.00 0.00 O ATOM 183 OD2 ASP A 15 0.991 -16.138 4.153 1.00 0.00 O ATOM 0 H ASP A 15 3.807 -15.046 1.791 1.00 0.00 H new ATOM 0 HA ASP A 15 3.251 -12.581 2.869 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.204 -13.707 3.733 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.547 -14.115 2.064 1.00 0.00 H new ATOM 188 N GLY A 16 3.457 -12.516 5.386 1.00 0.00 N ATOM 189 CA GLY A 16 3.837 -12.397 6.780 1.00 0.00 C ATOM 190 C GLY A 16 5.042 -11.477 6.921 1.00 0.00 C ATOM 191 O GLY A 16 5.312 -10.966 8.005 1.00 0.00 O ATOM 0 H GLY A 16 2.960 -11.707 5.014 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.001 -12.005 7.360 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.072 -13.381 7.185 1.00 0.00 H new ATOM 195 N THR A 17 5.767 -11.267 5.820 1.00 0.00 N ATOM 196 CA THR A 17 6.936 -10.411 5.830 1.00 0.00 C ATOM 197 C THR A 17 6.538 -8.996 6.224 1.00 0.00 C ATOM 198 O THR A 17 5.595 -8.435 5.671 1.00 0.00 O ATOM 199 CB THR A 17 7.587 -10.424 4.450 1.00 0.00 C ATOM 200 OG1 THR A 17 8.029 -11.730 4.152 1.00 0.00 O ATOM 201 CG2 THR A 17 8.777 -9.469 4.439 1.00 0.00 C ATOM 0 H THR A 17 5.557 -11.683 4.913 1.00 0.00 H new ATOM 0 HA THR A 17 7.655 -10.781 6.561 1.00 0.00 H new ATOM 0 HB THR A 17 6.860 -10.106 3.702 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.296 -12.239 3.746 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.242 -9.478 3.453 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.436 -8.460 4.670 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.505 -9.786 5.186 1.00 0.00 H new ATOM 209 N VAL A 18 7.263 -8.418 7.185 1.00 0.00 N ATOM 210 CA VAL A 18 6.985 -7.073 7.649 1.00 0.00 C ATOM 211 C VAL A 18 7.832 -6.075 6.872 1.00 0.00 C ATOM 212 O VAL A 18 9.057 -6.085 6.975 1.00 0.00 O ATOM 213 CB VAL A 18 7.277 -6.982 9.144 1.00 0.00 C ATOM 214 CG1 VAL A 18 8.778 -7.115 9.380 1.00 0.00 C ATOM 215 CG2 VAL A 18 6.796 -5.634 9.674 1.00 0.00 C ATOM 0 H VAL A 18 8.048 -8.870 7.653 1.00 0.00 H new ATOM 0 HA VAL A 18 5.934 -6.835 7.482 1.00 0.00 H new ATOM 0 HB VAL A 18 6.756 -7.785 9.665 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.986 -7.050 10.448 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.122 -8.078 9.002 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.301 -6.313 8.859 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.004 -5.568 10.742 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.317 -4.831 9.152 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.723 -5.539 9.507 1.00 0.00 H new ATOM 225 N VAL A 19 7.176 -5.212 6.094 1.00 0.00 N ATOM 226 CA VAL A 19 7.869 -4.213 5.306 1.00 0.00 C ATOM 227 C VAL A 19 7.802 -2.865 6.008 1.00 0.00 C ATOM 228 O VAL A 19 6.937 -2.646 6.854 1.00 0.00 O ATOM 229 CB VAL A 19 7.237 -4.132 3.919 1.00 0.00 C ATOM 230 CG1 VAL A 19 7.041 -5.541 3.366 1.00 0.00 C ATOM 231 CG2 VAL A 19 5.885 -3.432 4.017 1.00 0.00 C ATOM 0 H VAL A 19 6.161 -5.192 5.998 1.00 0.00 H new ATOM 0 HA VAL A 19 8.917 -4.492 5.198 1.00 0.00 H new ATOM 0 HB VAL A 19 7.891 -3.568 3.254 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.590 -5.484 2.375 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.006 -6.042 3.296 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.387 -6.105 4.031 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.433 -3.374 3.027 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.231 -3.996 4.682 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.024 -2.426 4.412 1.00 0.00 H new ATOM 241 N LYS A 20 8.719 -1.960 5.657 1.00 0.00 N ATOM 242 CA LYS A 20 8.757 -0.641 6.255 1.00 0.00 C ATOM 243 C LYS A 20 8.399 0.411 5.214 1.00 0.00 C ATOM 244 O LYS A 20 8.724 0.260 4.038 1.00 0.00 O ATOM 245 CB LYS A 20 10.148 -0.383 6.827 1.00 0.00 C ATOM 246 CG LYS A 20 10.021 0.157 8.249 1.00 0.00 C ATOM 247 CD LYS A 20 9.926 1.680 8.208 1.00 0.00 C ATOM 248 CE LYS A 20 11.317 2.281 8.388 1.00 0.00 C ATOM 249 NZ LYS A 20 11.504 2.776 9.761 1.00 0.00 N ATOM 0 H LYS A 20 9.444 -2.126 4.959 1.00 0.00 H new ATOM 0 HA LYS A 20 8.028 -0.584 7.064 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.730 -1.305 6.827 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.683 0.331 6.202 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.137 -0.260 8.730 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.882 -0.149 8.844 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.499 2.003 7.259 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.260 2.035 8.995 1.00 0.00 H new ATOM 0 HE2 LYS A 20 12.074 1.530 8.162 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.458 3.098 7.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.458 3.180 9.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.795 3.509 9.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.392 1.989 10.432 1.00 0.00 H new ATOM 263 N VAL A 21 7.728 1.479 5.650 1.00 0.00 N ATOM 264 CA VAL A 21 7.330 2.549 4.757 1.00 0.00 C ATOM 265 C VAL A 21 7.557 3.894 5.432 1.00 0.00 C ATOM 266 O VAL A 21 6.908 4.209 6.427 1.00 0.00 O ATOM 267 CB VAL A 21 5.862 2.375 4.379 1.00 0.00 C ATOM 268 CG1 VAL A 21 5.757 2.003 2.903 1.00 0.00 C ATOM 269 CG2 VAL A 21 5.246 1.265 5.227 1.00 0.00 C ATOM 0 H VAL A 21 7.452 1.618 6.622 1.00 0.00 H new ATOM 0 HA VAL A 21 7.932 2.514 3.849 1.00 0.00 H new ATOM 0 HB VAL A 21 5.328 3.308 4.558 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.708 1.879 2.633 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.197 2.795 2.296 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.291 1.070 2.724 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.197 1.140 4.957 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.780 0.332 5.048 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.320 1.529 6.282 1.00 0.00 H new ATOM 279 N ALA A 22 8.481 4.688 4.887 1.00 0.00 N ATOM 280 CA ALA A 22 8.790 5.993 5.438 1.00 0.00 C ATOM 281 C ALA A 22 8.588 7.062 4.374 1.00 0.00 C ATOM 282 O ALA A 22 9.282 7.069 3.359 1.00 0.00 O ATOM 283 CB ALA A 22 10.228 6.001 5.948 1.00 0.00 C ATOM 0 H ALA A 22 9.026 4.441 4.061 1.00 0.00 H new ATOM 0 HA ALA A 22 8.122 6.208 6.272 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.462 6.982 6.363 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.344 5.243 6.722 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.908 5.784 5.124 1.00 0.00 H new ATOM 289 N GLY A 23 7.635 7.968 4.606 1.00 0.00 N ATOM 290 CA GLY A 23 7.352 9.033 3.666 1.00 0.00 C ATOM 291 C GLY A 23 8.301 10.202 3.891 1.00 0.00 C ATOM 292 O GLY A 23 8.690 10.480 5.023 1.00 0.00 O ATOM 0 H GLY A 23 7.050 7.977 5.441 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.455 8.664 2.646 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.320 9.365 3.782 1.00 0.00 H new ATOM 296 N ALA A 24 8.672 10.888 2.807 1.00 0.00 N ATOM 297 CA ALA A 24 9.573 12.020 2.890 1.00 0.00 C ATOM 298 C ALA A 24 9.141 13.095 1.903 1.00 0.00 C ATOM 299 O ALA A 24 9.167 12.877 0.694 1.00 0.00 O ATOM 300 CB ALA A 24 10.998 11.558 2.598 1.00 0.00 C ATOM 0 H ALA A 24 8.356 10.671 1.862 1.00 0.00 H new ATOM 0 HA ALA A 24 9.542 12.443 3.894 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.676 12.409 2.660 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.293 10.805 3.328 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.044 11.130 1.597 1.00 0.00 H new ATOM 306 N GLY A 25 8.743 14.260 2.421 1.00 0.00 N ATOM 307 CA GLY A 25 8.309 15.357 1.580 1.00 0.00 C ATOM 308 C GLY A 25 6.788 15.413 1.529 1.00 0.00 C ATOM 309 O GLY A 25 6.218 16.066 0.658 1.00 0.00 O ATOM 0 H GLY A 25 8.716 14.459 3.421 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.702 16.298 1.966 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.709 15.233 0.574 1.00 0.00 H new ATOM 313 N LEU A 26 6.133 14.725 2.466 1.00 0.00 N ATOM 314 CA LEU A 26 4.685 14.698 2.523 1.00 0.00 C ATOM 315 C LEU A 26 4.181 15.840 3.395 1.00 0.00 C ATOM 316 O LEU A 26 4.964 16.485 4.090 1.00 0.00 O ATOM 317 CB LEU A 26 4.223 13.353 3.076 1.00 0.00 C ATOM 318 CG LEU A 26 5.388 12.368 3.056 1.00 0.00 C ATOM 319 CD1 LEU A 26 6.243 12.565 4.304 1.00 0.00 C ATOM 320 CD2 LEU A 26 4.847 10.941 3.029 1.00 0.00 C ATOM 0 H LEU A 26 6.592 14.179 3.195 1.00 0.00 H new ATOM 0 HA LEU A 26 4.276 14.824 1.520 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.853 13.474 4.094 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.396 12.967 2.480 1.00 0.00 H new ATOM 0 HG LEU A 26 5.996 12.543 2.169 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.075 11.861 4.290 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.630 13.584 4.323 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.636 12.391 5.192 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.679 10.237 3.015 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.238 10.766 3.916 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.237 10.800 2.137 1.00 0.00 H new ATOM 332 N GLN A 27 2.870 16.090 3.356 1.00 0.00 N ATOM 333 CA GLN A 27 2.271 17.151 4.140 1.00 0.00 C ATOM 334 C GLN A 27 2.686 17.014 5.598 1.00 0.00 C ATOM 335 O GLN A 27 2.395 16.004 6.235 1.00 0.00 O ATOM 336 CB GLN A 27 0.753 17.089 4.001 1.00 0.00 C ATOM 337 CG GLN A 27 0.360 17.396 2.559 1.00 0.00 C ATOM 338 CD GLN A 27 -1.142 17.252 2.363 1.00 0.00 C ATOM 339 OE1 GLN A 27 -1.833 18.234 2.101 1.00 0.00 O ATOM 340 NE2 GLN A 27 -1.647 16.022 2.491 1.00 0.00 N ATOM 0 H GLN A 27 2.208 15.565 2.785 1.00 0.00 H new ATOM 0 HA GLN A 27 2.617 18.118 3.775 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.391 16.101 4.285 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.286 17.806 4.677 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.669 18.409 2.302 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.885 16.721 1.883 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.032 15.238 2.709 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.648 15.866 2.370 1.00 0.00 H new ATOM 349 N ALA A 28 3.366 18.034 6.126 1.00 0.00 N ATOM 350 CA ALA A 28 3.816 18.022 7.503 1.00 0.00 C ATOM 351 C ALA A 28 2.625 18.181 8.436 1.00 0.00 C ATOM 352 O ALA A 28 1.790 19.061 8.236 1.00 0.00 O ATOM 353 CB ALA A 28 4.825 19.147 7.717 1.00 0.00 C ATOM 0 H ALA A 28 3.614 18.879 5.611 1.00 0.00 H new ATOM 0 HA ALA A 28 4.300 17.071 7.724 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.164 19.139 8.753 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.678 19.001 7.054 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.354 20.105 7.497 1.00 0.00 H new ATOM 359 N GLY A 29 2.546 17.327 9.459 1.00 0.00 N ATOM 360 CA GLY A 29 1.456 17.381 10.413 1.00 0.00 C ATOM 361 C GLY A 29 0.190 16.796 9.802 1.00 0.00 C ATOM 362 O GLY A 29 -0.883 16.878 10.394 1.00 0.00 O ATOM 0 H GLY A 29 3.229 16.592 9.641 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.723 16.827 11.313 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.279 18.413 10.715 1.00 0.00 H new ATOM 366 N THR A 30 0.318 16.205 8.612 1.00 0.00 N ATOM 367 CA THR A 30 -0.815 15.612 7.931 1.00 0.00 C ATOM 368 C THR A 30 -0.841 14.110 8.178 1.00 0.00 C ATOM 369 O THR A 30 0.205 13.466 8.212 1.00 0.00 O ATOM 370 CB THR A 30 -0.725 15.913 6.438 1.00 0.00 C ATOM 371 OG1 THR A 30 -1.727 16.840 6.084 1.00 0.00 O ATOM 372 CG2 THR A 30 -0.922 14.624 5.646 1.00 0.00 C ATOM 0 H THR A 30 1.200 16.129 8.106 1.00 0.00 H new ATOM 0 HA THR A 30 -1.740 16.039 8.320 1.00 0.00 H new ATOM 0 HB THR A 30 0.255 16.333 6.211 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.774 16.914 5.108 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.858 14.839 4.579 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.148 13.907 5.919 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.902 14.204 5.873 1.00 0.00 H new ATOM 380 N ALA A 31 -2.042 13.554 8.349 1.00 0.00 N ATOM 381 CA ALA A 31 -2.199 12.134 8.592 1.00 0.00 C ATOM 382 C ALA A 31 -2.236 11.385 7.267 1.00 0.00 C ATOM 383 O ALA A 31 -2.666 11.933 6.255 1.00 0.00 O ATOM 384 CB ALA A 31 -3.480 11.893 9.386 1.00 0.00 C ATOM 0 H ALA A 31 -2.918 14.075 8.322 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.353 11.764 9.172 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.599 10.825 9.569 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.423 12.420 10.338 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.335 12.261 8.818 1.00 0.00 H new ATOM 390 N TYR A 32 -1.784 10.129 7.276 1.00 0.00 N ATOM 391 CA TYR A 32 -1.767 9.316 6.076 1.00 0.00 C ATOM 392 C TYR A 32 -2.220 7.901 6.406 1.00 0.00 C ATOM 393 O TYR A 32 -1.882 7.369 7.461 1.00 0.00 O ATOM 394 CB TYR A 32 -0.359 9.310 5.488 1.00 0.00 C ATOM 395 CG TYR A 32 -0.020 10.568 4.724 1.00 0.00 C ATOM 396 CD1 TYR A 32 -0.687 10.863 3.529 1.00 0.00 C ATOM 397 CD2 TYR A 32 0.962 11.439 5.211 1.00 0.00 C ATOM 398 CE1 TYR A 32 -0.372 12.029 2.820 1.00 0.00 C ATOM 399 CE2 TYR A 32 1.277 12.605 4.502 1.00 0.00 C ATOM 400 CZ TYR A 32 0.610 12.900 3.307 1.00 0.00 C ATOM 401 OH TYR A 32 0.917 14.035 2.617 1.00 0.00 O ATOM 0 H TYR A 32 -1.426 9.659 8.108 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.453 9.733 5.339 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.362 9.179 6.294 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.255 8.452 4.824 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.445 10.191 3.154 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.476 11.212 6.133 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.886 12.256 1.898 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.035 13.277 4.877 1.00 0.00 H new ATOM 0 HH TYR A 32 0.363 14.087 1.810 1.00 0.00 H new ATOM 411 N ASP A 33 -2.986 7.291 5.499 1.00 0.00 N ATOM 412 CA ASP A 33 -3.481 5.944 5.697 1.00 0.00 C ATOM 413 C ASP A 33 -2.712 4.977 4.809 1.00 0.00 C ATOM 414 O ASP A 33 -2.788 5.061 3.585 1.00 0.00 O ATOM 415 CB ASP A 33 -4.973 5.899 5.381 1.00 0.00 C ATOM 416 CG ASP A 33 -5.403 4.494 4.985 1.00 0.00 C ATOM 417 OD1 ASP A 33 -5.033 3.557 5.725 1.00 0.00 O ATOM 418 OD2 ASP A 33 -6.095 4.383 3.950 1.00 0.00 O ATOM 0 H ASP A 33 -3.273 7.719 4.619 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.335 5.647 6.736 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.543 6.226 6.251 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.198 6.594 4.572 1.00 0.00 H new ATOM 423 N VAL A 34 -1.969 4.056 5.428 1.00 0.00 N ATOM 424 CA VAL A 34 -1.191 3.080 4.692 1.00 0.00 C ATOM 425 C VAL A 34 -1.972 1.778 4.581 1.00 0.00 C ATOM 426 O VAL A 34 -2.571 1.326 5.554 1.00 0.00 O ATOM 427 CB VAL A 34 0.141 2.853 5.401 1.00 0.00 C ATOM 428 CG1 VAL A 34 1.181 2.380 4.391 1.00 0.00 C ATOM 429 CG2 VAL A 34 0.607 4.160 6.037 1.00 0.00 C ATOM 0 H VAL A 34 -1.896 3.973 6.442 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.993 3.450 3.686 1.00 0.00 H new ATOM 0 HB VAL A 34 0.016 2.096 6.175 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.133 2.218 4.897 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.848 1.447 3.936 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.307 3.137 3.617 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.558 3.999 6.544 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.732 4.917 5.263 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.136 4.498 6.759 1.00 0.00 H new ATOM 439 N GLY A 35 -1.963 1.174 3.390 1.00 0.00 N ATOM 440 CA GLY A 35 -2.670 -0.071 3.164 1.00 0.00 C ATOM 441 C GLY A 35 -2.109 -0.781 1.940 1.00 0.00 C ATOM 442 O GLY A 35 -1.567 -0.142 1.041 1.00 0.00 O ATOM 0 H GLY A 35 -1.471 1.534 2.572 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.578 -0.714 4.040 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.733 0.126 3.023 1.00 0.00 H new ATOM 446 N GLN A 36 -2.239 -2.110 1.908 1.00 0.00 N ATOM 447 CA GLN A 36 -1.743 -2.899 0.799 1.00 0.00 C ATOM 448 C GLN A 36 -2.861 -3.134 -0.208 1.00 0.00 C ATOM 449 O GLN A 36 -3.885 -3.726 0.125 1.00 0.00 O ATOM 450 CB GLN A 36 -1.201 -4.226 1.323 1.00 0.00 C ATOM 451 CG GLN A 36 -1.227 -5.264 0.205 1.00 0.00 C ATOM 452 CD GLN A 36 -0.874 -6.645 0.739 1.00 0.00 C ATOM 453 OE1 GLN A 36 -1.619 -7.215 1.533 1.00 0.00 O ATOM 454 NE2 GLN A 36 0.267 -7.183 0.301 1.00 0.00 N ATOM 0 H GLN A 36 -2.687 -2.655 2.645 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.936 -2.363 0.298 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.183 -4.096 1.689 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.801 -4.569 2.166 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.216 -5.288 -0.252 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.522 -4.981 -0.577 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.852 -6.670 -0.359 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.553 -8.107 0.626 1.00 0.00 H new ATOM 463 N CYS A 37 -2.661 -2.666 -1.443 1.00 0.00 N ATOM 464 CA CYS A 37 -3.649 -2.827 -2.490 1.00 0.00 C ATOM 465 C CYS A 37 -3.175 -3.873 -3.489 1.00 0.00 C ATOM 466 O CYS A 37 -1.982 -4.160 -3.571 1.00 0.00 O ATOM 467 CB CYS A 37 -3.880 -1.485 -3.181 1.00 0.00 C ATOM 468 SG CYS A 37 -5.259 -0.534 -2.496 1.00 0.00 S ATOM 0 H CYS A 37 -1.817 -2.172 -1.734 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.591 -3.166 -2.058 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.970 -0.889 -3.109 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.064 -1.660 -4.241 1.00 0.00 H new ATOM 473 N ALA A 38 -4.112 -4.443 -4.250 1.00 0.00 N ATOM 474 CA ALA A 38 -3.786 -5.453 -5.236 1.00 0.00 C ATOM 475 C ALA A 38 -4.735 -5.342 -6.421 1.00 0.00 C ATOM 476 O ALA A 38 -5.950 -5.288 -6.243 1.00 0.00 O ATOM 477 CB ALA A 38 -3.879 -6.835 -4.597 1.00 0.00 C ATOM 0 H ALA A 38 -5.105 -4.215 -4.195 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.768 -5.301 -5.595 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.634 -7.596 -5.338 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.177 -6.899 -3.765 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.892 -6.999 -4.230 1.00 0.00 H new ATOM 483 N TRP A 39 -4.179 -5.306 -7.634 1.00 0.00 N ATOM 484 CA TRP A 39 -4.981 -5.203 -8.837 1.00 0.00 C ATOM 485 C TRP A 39 -5.742 -6.501 -9.065 1.00 0.00 C ATOM 486 O TRP A 39 -5.145 -7.575 -9.108 1.00 0.00 O ATOM 487 CB TRP A 39 -4.077 -4.890 -10.025 1.00 0.00 C ATOM 488 CG TRP A 39 -4.559 -5.415 -11.339 1.00 0.00 C ATOM 489 CD1 TRP A 39 -5.854 -5.543 -11.701 1.00 0.00 C ATOM 490 CD2 TRP A 39 -3.778 -5.889 -12.479 1.00 0.00 C ATOM 491 NE1 TRP A 39 -5.928 -6.060 -12.977 1.00 0.00 N ATOM 492 CE2 TRP A 39 -4.675 -6.292 -13.505 1.00 0.00 C ATOM 493 CE3 TRP A 39 -2.404 -6.019 -12.750 1.00 0.00 C ATOM 494 CZ2 TRP A 39 -4.235 -6.797 -14.731 1.00 0.00 C ATOM 495 CZ3 TRP A 39 -1.952 -6.525 -13.978 1.00 0.00 C ATOM 496 CH2 TRP A 39 -2.862 -6.914 -14.968 1.00 0.00 C ATOM 0 H TRP A 39 -3.174 -5.347 -7.801 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.706 -4.396 -8.726 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -3.964 -3.809 -10.102 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.087 -5.301 -9.827 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -6.702 -5.281 -11.085 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -6.801 -6.248 -13.470 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -1.685 -5.724 -12.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -4.947 -7.094 -15.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -0.892 -6.615 -14.161 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -2.505 -7.303 -15.910 1.00 0.00 H new ATOM 507 N VAL A 40 -7.065 -6.401 -9.213 1.00 0.00 N ATOM 508 CA VAL A 40 -7.901 -7.563 -9.436 1.00 0.00 C ATOM 509 C VAL A 40 -8.509 -7.500 -10.830 1.00 0.00 C ATOM 510 O VAL A 40 -8.609 -8.518 -11.512 1.00 0.00 O ATOM 511 CB VAL A 40 -8.992 -7.616 -8.371 1.00 0.00 C ATOM 512 CG1 VAL A 40 -8.396 -8.106 -7.055 1.00 0.00 C ATOM 513 CG2 VAL A 40 -9.579 -6.221 -8.176 1.00 0.00 C ATOM 0 H VAL A 40 -7.574 -5.518 -9.181 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.299 -8.469 -9.365 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.778 -8.300 -8.690 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.176 -8.144 -6.294 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.976 -9.102 -7.194 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.610 -7.423 -6.735 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.359 -6.257 -7.415 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.793 -5.537 -7.857 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.005 -5.871 -9.116 1.00 0.00 H new ATOM 523 N ASP A 41 -8.914 -6.301 -11.252 1.00 0.00 N ATOM 524 CA ASP A 41 -9.510 -6.112 -12.560 1.00 0.00 C ATOM 525 C ASP A 41 -9.131 -4.743 -13.106 1.00 0.00 C ATOM 526 O ASP A 41 -8.413 -3.990 -12.452 1.00 0.00 O ATOM 527 CB ASP A 41 -11.026 -6.252 -12.453 1.00 0.00 C ATOM 528 CG ASP A 41 -11.547 -7.290 -13.435 1.00 0.00 C ATOM 529 OD1 ASP A 41 -11.132 -8.461 -13.297 1.00 0.00 O ATOM 530 OD2 ASP A 41 -12.351 -6.894 -14.306 1.00 0.00 O ATOM 0 H ASP A 41 -8.836 -5.448 -10.699 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.137 -6.871 -13.247 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.298 -6.538 -11.437 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.499 -5.290 -12.650 1.00 0.00 H new ATOM 535 N THR A 42 -9.616 -4.420 -14.307 1.00 0.00 N ATOM 536 CA THR A 42 -9.324 -3.144 -14.928 1.00 0.00 C ATOM 537 C THR A 42 -9.929 -2.016 -14.105 1.00 0.00 C ATOM 538 O THR A 42 -11.149 -1.878 -14.037 1.00 0.00 O ATOM 539 CB THR A 42 -9.879 -3.133 -16.350 1.00 0.00 C ATOM 540 OG1 THR A 42 -9.145 -4.035 -17.148 1.00 0.00 O ATOM 541 CG2 THR A 42 -9.762 -1.727 -16.931 1.00 0.00 C ATOM 0 H THR A 42 -10.213 -5.032 -14.863 1.00 0.00 H new ATOM 0 HA THR A 42 -8.245 -2.996 -14.970 1.00 0.00 H new ATOM 0 HB THR A 42 -10.927 -3.433 -16.334 1.00 0.00 H new ATOM 0 HG1 THR A 42 -9.502 -4.030 -18.061 1.00 0.00 H new ATOM 0 HG21 THR A 42 -10.158 -1.719 -17.946 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.330 -1.030 -16.314 1.00 0.00 H new ATOM 0 HG23 THR A 42 -8.714 -1.426 -16.948 1.00 0.00 H new ATOM 549 N GLY A 43 -9.072 -1.207 -13.478 1.00 0.00 N ATOM 550 CA GLY A 43 -9.529 -0.098 -12.665 1.00 0.00 C ATOM 551 C GLY A 43 -10.177 -0.612 -11.387 1.00 0.00 C ATOM 552 O GLY A 43 -10.768 0.158 -10.633 1.00 0.00 O ATOM 0 H GLY A 43 -8.058 -1.307 -13.523 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.689 0.552 -12.419 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.244 0.503 -13.227 1.00 0.00 H new ATOM 556 N VAL A 44 -10.063 -1.920 -11.144 1.00 0.00 N ATOM 557 CA VAL A 44 -10.636 -2.531 -9.962 1.00 0.00 C ATOM 558 C VAL A 44 -9.525 -2.961 -9.014 1.00 0.00 C ATOM 559 O VAL A 44 -8.860 -3.967 -9.250 1.00 0.00 O ATOM 560 CB VAL A 44 -11.490 -3.728 -10.371 1.00 0.00 C ATOM 561 CG1 VAL A 44 -12.191 -4.298 -9.142 1.00 0.00 C ATOM 562 CG2 VAL A 44 -12.534 -3.282 -11.391 1.00 0.00 C ATOM 0 H VAL A 44 -9.575 -2.571 -11.759 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.269 -1.809 -9.446 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.853 -4.494 -10.813 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -12.801 -5.153 -9.435 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.446 -4.616 -8.413 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.828 -3.533 -8.699 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -13.145 -4.136 -11.684 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -13.170 -2.516 -10.949 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -12.034 -2.875 -12.270 1.00 0.00 H new ATOM 572 N LEU A 45 -9.325 -2.194 -7.939 1.00 0.00 N ATOM 573 CA LEU A 45 -8.298 -2.498 -6.963 1.00 0.00 C ATOM 574 C LEU A 45 -8.938 -3.029 -5.688 1.00 0.00 C ATOM 575 O LEU A 45 -10.102 -2.748 -5.412 1.00 0.00 O ATOM 576 CB LEU A 45 -7.482 -1.241 -6.676 1.00 0.00 C ATOM 577 CG LEU A 45 -6.158 -1.312 -7.431 1.00 0.00 C ATOM 578 CD1 LEU A 45 -5.619 0.100 -7.647 1.00 0.00 C ATOM 579 CD2 LEU A 45 -5.151 -2.122 -6.619 1.00 0.00 C ATOM 0 H LEU A 45 -9.868 -1.356 -7.730 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.632 -3.265 -7.358 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.039 -0.355 -6.980 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.298 -1.150 -5.605 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.316 -1.793 -8.396 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.673 0.050 -8.186 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.337 0.679 -8.227 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.461 0.581 -6.682 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.205 -2.173 -7.159 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.993 -1.642 -5.653 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.535 -3.130 -6.465 1.00 0.00 H new ATOM 591 N ALA A 46 -8.172 -3.797 -4.910 1.00 0.00 N ATOM 592 CA ALA A 46 -8.667 -4.362 -3.671 1.00 0.00 C ATOM 593 C ALA A 46 -7.637 -4.166 -2.567 1.00 0.00 C ATOM 594 O ALA A 46 -6.477 -4.540 -2.725 1.00 0.00 O ATOM 595 CB ALA A 46 -8.967 -5.845 -3.873 1.00 0.00 C ATOM 0 H ALA A 46 -7.204 -4.038 -5.125 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.586 -3.855 -3.377 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.339 -6.271 -2.941 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.721 -5.961 -4.652 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.055 -6.363 -4.170 1.00 0.00 H new ATOM 601 N CYS A 47 -8.063 -3.578 -1.448 1.00 0.00 N ATOM 602 CA CYS A 47 -7.179 -3.335 -0.326 1.00 0.00 C ATOM 603 C CYS A 47 -7.519 -4.286 0.813 1.00 0.00 C ATOM 604 O CYS A 47 -8.625 -4.817 0.870 1.00 0.00 O ATOM 605 CB CYS A 47 -7.315 -1.883 0.123 1.00 0.00 C ATOM 606 SG CYS A 47 -5.984 -0.804 -0.461 1.00 0.00 S ATOM 0 H CYS A 47 -9.022 -3.263 -1.302 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.146 -3.513 -0.626 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.268 -1.491 -0.232 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.343 -1.851 1.212 1.00 0.00 H new ATOM 611 N ASN A 48 -6.563 -4.500 1.720 1.00 0.00 N ATOM 612 CA ASN A 48 -6.768 -5.384 2.849 1.00 0.00 C ATOM 613 C ASN A 48 -6.627 -4.606 4.150 1.00 0.00 C ATOM 614 O ASN A 48 -5.542 -4.128 4.476 1.00 0.00 O ATOM 615 CB ASN A 48 -5.756 -6.525 2.790 1.00 0.00 C ATOM 616 CG ASN A 48 -5.669 -7.244 4.128 1.00 0.00 C ATOM 617 OD1 ASN A 48 -6.673 -7.391 4.822 1.00 0.00 O ATOM 618 ND2 ASN A 48 -4.465 -7.696 4.489 1.00 0.00 N ATOM 0 H ASN A 48 -5.640 -4.068 1.686 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.773 -5.803 2.808 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.043 -7.231 2.011 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.776 -6.133 2.519 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.350 -8.188 5.375 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.661 -7.549 3.878 1.00 0.00 H new ATOM 625 N PRO A 49 -7.728 -4.481 4.894 1.00 0.00 N ATOM 626 CA PRO A 49 -7.783 -3.779 6.158 1.00 0.00 C ATOM 627 C PRO A 49 -7.069 -4.595 7.226 1.00 0.00 C ATOM 628 O PRO A 49 -6.975 -4.169 8.376 1.00 0.00 O ATOM 629 CB PRO A 49 -9.273 -3.652 6.471 1.00 0.00 C ATOM 630 CG PRO A 49 -9.865 -4.893 5.804 1.00 0.00 C ATOM 631 CD PRO A 49 -9.019 -5.031 4.541 1.00 0.00 C ATOM 0 HA PRO A 49 -7.297 -2.804 6.124 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -9.461 -3.641 7.545 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -9.695 -2.733 6.064 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.786 -5.773 6.443 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -10.922 -4.762 5.571 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -8.934 -6.074 4.235 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.464 -4.489 3.706 1.00 0.00 H new ATOM 639 N ALA A 50 -6.567 -5.771 6.845 1.00 0.00 N ATOM 640 CA ALA A 50 -5.867 -6.640 7.770 1.00 0.00 C ATOM 641 C ALA A 50 -4.380 -6.319 7.755 1.00 0.00 C ATOM 642 O ALA A 50 -3.633 -6.787 8.611 1.00 0.00 O ATOM 643 CB ALA A 50 -6.110 -8.096 7.381 1.00 0.00 C ATOM 0 H ALA A 50 -6.637 -6.138 5.896 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.242 -6.480 8.781 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.584 -8.751 8.076 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.178 -8.309 7.419 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.741 -8.269 6.370 1.00 0.00 H new ATOM 649 N ASP A 51 -3.950 -5.517 6.778 1.00 0.00 N ATOM 650 CA ASP A 51 -2.557 -5.139 6.656 1.00 0.00 C ATOM 651 C ASP A 51 -2.446 -3.634 6.465 1.00 0.00 C ATOM 652 O ASP A 51 -1.483 -3.150 5.875 1.00 0.00 O ATOM 653 CB ASP A 51 -1.930 -5.882 5.479 1.00 0.00 C ATOM 654 CG ASP A 51 -1.834 -7.373 5.766 1.00 0.00 C ATOM 655 OD1 ASP A 51 -1.823 -7.721 6.967 1.00 0.00 O ATOM 656 OD2 ASP A 51 -1.773 -8.138 4.780 1.00 0.00 O ATOM 0 H ASP A 51 -4.557 -5.120 6.061 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.022 -5.410 7.566 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.526 -5.718 4.581 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.936 -5.482 5.279 1.00 0.00 H new ATOM 661 N PHE A 52 -3.436 -2.891 6.966 1.00 0.00 N ATOM 662 CA PHE A 52 -3.443 -1.447 6.847 1.00 0.00 C ATOM 663 C PHE A 52 -2.950 -0.820 8.143 1.00 0.00 C ATOM 664 O PHE A 52 -3.522 -1.053 9.205 1.00 0.00 O ATOM 665 CB PHE A 52 -4.855 -0.972 6.518 1.00 0.00 C ATOM 666 CG PHE A 52 -5.559 -0.322 7.685 1.00 0.00 C ATOM 667 CD1 PHE A 52 -5.031 0.838 8.264 1.00 0.00 C ATOM 668 CD2 PHE A 52 -6.743 -0.879 8.186 1.00 0.00 C ATOM 669 CE1 PHE A 52 -5.686 1.441 9.345 1.00 0.00 C ATOM 670 CE2 PHE A 52 -7.397 -0.276 9.266 1.00 0.00 C ATOM 671 CZ PHE A 52 -6.869 0.884 9.846 1.00 0.00 C ATOM 0 H PHE A 52 -4.242 -3.276 7.458 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.774 -1.141 6.042 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.808 -0.263 5.692 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.445 -1.822 6.175 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.119 1.268 7.877 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.151 -1.773 7.739 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.279 2.336 9.792 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.309 -0.705 9.652 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.374 1.349 10.680 1.00 0.00 H new ATOM 681 N SER A 53 -1.884 -0.020 8.054 1.00 0.00 N ATOM 682 CA SER A 53 -1.322 0.636 9.217 1.00 0.00 C ATOM 683 C SER A 53 -1.702 2.110 9.212 1.00 0.00 C ATOM 684 O SER A 53 -2.459 2.556 8.352 1.00 0.00 O ATOM 685 CB SER A 53 0.194 0.468 9.212 1.00 0.00 C ATOM 686 OG SER A 53 0.683 0.579 10.530 1.00 0.00 O ATOM 0 H SER A 53 -1.398 0.184 7.181 1.00 0.00 H new ATOM 0 HA SER A 53 -1.721 0.182 10.124 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.462 -0.502 8.794 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.653 1.226 8.577 1.00 0.00 H new ATOM 0 HG SER A 53 1.657 0.469 10.528 1.00 0.00 H new ATOM 692 N SER A 54 -1.173 2.867 10.176 1.00 0.00 N ATOM 693 CA SER A 54 -1.458 4.284 10.276 1.00 0.00 C ATOM 694 C SER A 54 -0.239 5.019 10.816 1.00 0.00 C ATOM 695 O SER A 54 0.583 4.432 11.517 1.00 0.00 O ATOM 696 CB SER A 54 -2.664 4.498 11.186 1.00 0.00 C ATOM 697 OG SER A 54 -2.295 4.241 12.523 1.00 0.00 O ATOM 0 H SER A 54 -0.544 2.513 10.897 1.00 0.00 H new ATOM 0 HA SER A 54 -1.690 4.682 9.288 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.030 5.520 11.088 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.479 3.838 10.889 1.00 0.00 H new ATOM 0 HG SER A 54 -3.069 4.380 13.108 1.00 0.00 H new ATOM 703 N VAL A 55 -0.123 6.308 10.488 1.00 0.00 N ATOM 704 CA VAL A 55 0.991 7.116 10.940 1.00 0.00 C ATOM 705 C VAL A 55 0.695 8.588 10.692 1.00 0.00 C ATOM 706 O VAL A 55 -0.107 8.923 9.823 1.00 0.00 O ATOM 707 CB VAL A 55 2.259 6.688 10.207 1.00 0.00 C ATOM 708 CG1 VAL A 55 2.038 6.797 8.702 1.00 0.00 C ATOM 709 CG2 VAL A 55 3.415 7.595 10.619 1.00 0.00 C ATOM 0 H VAL A 55 -0.796 6.809 9.907 1.00 0.00 H new ATOM 0 HA VAL A 55 1.139 6.972 12.010 1.00 0.00 H new ATOM 0 HB VAL A 55 2.497 5.656 10.465 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.944 6.491 8.178 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.212 6.149 8.408 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.800 7.829 8.443 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.321 7.290 10.096 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.177 8.627 10.361 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.573 7.517 11.695 1.00 0.00 H new ATOM 719 N THR A 56 1.345 9.468 11.456 1.00 0.00 N ATOM 720 CA THR A 56 1.146 10.896 11.311 1.00 0.00 C ATOM 721 C THR A 56 2.485 11.587 11.100 1.00 0.00 C ATOM 722 O THR A 56 3.380 11.483 11.936 1.00 0.00 O ATOM 723 CB THR A 56 0.446 11.440 12.553 1.00 0.00 C ATOM 724 OG1 THR A 56 -0.743 10.716 12.777 1.00 0.00 O ATOM 725 CG2 THR A 56 0.112 12.914 12.344 1.00 0.00 C ATOM 0 H THR A 56 2.014 9.208 12.181 1.00 0.00 H new ATOM 0 HA THR A 56 0.519 11.092 10.441 1.00 0.00 H new ATOM 0 HB THR A 56 1.104 11.335 13.416 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.192 11.064 13.576 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.388 13.303 13.231 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.031 13.474 12.170 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.546 13.019 11.481 1.00 0.00 H new ATOM 733 N ALA A 57 2.621 12.297 9.977 1.00 0.00 N ATOM 734 CA ALA A 57 3.847 13.001 9.661 1.00 0.00 C ATOM 735 C ALA A 57 4.176 13.987 10.772 1.00 0.00 C ATOM 736 O ALA A 57 3.278 14.503 11.433 1.00 0.00 O ATOM 737 CB ALA A 57 3.689 13.722 8.326 1.00 0.00 C ATOM 0 H ALA A 57 1.888 12.394 9.274 1.00 0.00 H new ATOM 0 HA ALA A 57 4.669 12.290 9.579 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.611 14.252 8.087 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.475 12.995 7.543 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.867 14.435 8.393 1.00 0.00 H new ATOM 743 N ASP A 58 5.469 14.249 10.977 1.00 0.00 N ATOM 744 CA ASP A 58 5.909 15.170 12.006 1.00 0.00 C ATOM 745 C ASP A 58 6.162 16.541 11.396 1.00 0.00 C ATOM 746 O ASP A 58 5.784 16.794 10.254 1.00 0.00 O ATOM 747 CB ASP A 58 7.174 14.629 12.665 1.00 0.00 C ATOM 748 CG ASP A 58 8.311 14.529 11.658 1.00 0.00 C ATOM 749 OD1 ASP A 58 8.080 14.934 10.498 1.00 0.00 O ATOM 750 OD2 ASP A 58 9.391 14.050 12.067 1.00 0.00 O ATOM 0 H ASP A 58 6.226 13.830 10.437 1.00 0.00 H new ATOM 0 HA ASP A 58 5.134 15.270 12.766 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.468 15.281 13.488 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.974 13.647 13.093 1.00 0.00 H new ATOM 755 N ALA A 59 6.804 17.428 12.161 1.00 0.00 N ATOM 756 CA ALA A 59 7.103 18.766 11.693 1.00 0.00 C ATOM 757 C ALA A 59 8.044 18.697 10.499 1.00 0.00 C ATOM 758 O ALA A 59 8.069 19.606 9.672 1.00 0.00 O ATOM 759 CB ALA A 59 7.727 19.573 12.828 1.00 0.00 C ATOM 0 H ALA A 59 7.124 17.234 13.110 1.00 0.00 H new ATOM 0 HA ALA A 59 6.184 19.259 11.377 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.953 20.580 12.477 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.028 19.628 13.663 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.647 19.089 13.156 1.00 0.00 H new ATOM 765 N ASN A 60 8.820 17.614 10.410 1.00 0.00 N ATOM 766 CA ASN A 60 9.756 17.435 9.319 1.00 0.00 C ATOM 767 C ASN A 60 9.037 16.856 8.108 1.00 0.00 C ATOM 768 O ASN A 60 9.664 16.562 7.092 1.00 0.00 O ATOM 769 CB ASN A 60 10.887 16.513 9.767 1.00 0.00 C ATOM 770 CG ASN A 60 11.772 17.200 10.797 1.00 0.00 C ATOM 771 OD1 ASN A 60 11.438 18.278 11.284 1.00 0.00 O ATOM 772 ND2 ASN A 60 12.903 16.573 11.129 1.00 0.00 N ATOM 0 H ASN A 60 8.812 16.851 11.087 1.00 0.00 H new ATOM 0 HA ASN A 60 10.179 18.399 9.037 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.470 15.599 10.191 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.486 16.220 8.905 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.534 16.988 11.815 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.136 15.679 10.697 1.00 0.00 H new ATOM 779 N GLY A 61 7.717 16.693 8.217 1.00 0.00 N ATOM 780 CA GLY A 61 6.925 16.151 7.131 1.00 0.00 C ATOM 781 C GLY A 61 7.366 14.729 6.814 1.00 0.00 C ATOM 782 O GLY A 61 7.287 14.292 5.668 1.00 0.00 O ATOM 0 H GLY A 61 7.181 16.932 9.051 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.869 16.160 7.402 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.032 16.778 6.246 1.00 0.00 H new ATOM 786 N SER A 62 7.833 14.006 7.835 1.00 0.00 N ATOM 787 CA SER A 62 8.283 12.640 7.661 1.00 0.00 C ATOM 788 C SER A 62 7.560 11.729 8.643 1.00 0.00 C ATOM 789 O SER A 62 7.303 12.117 9.781 1.00 0.00 O ATOM 790 CB SER A 62 9.792 12.572 7.871 1.00 0.00 C ATOM 791 OG SER A 62 10.259 11.291 7.511 1.00 0.00 O ATOM 0 H SER A 62 7.906 14.354 8.791 1.00 0.00 H new ATOM 0 HA SER A 62 8.055 12.304 6.650 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.288 13.334 7.270 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.035 12.780 8.913 1.00 0.00 H new ATOM 0 HG SER A 62 9.782 10.982 6.713 1.00 0.00 H new ATOM 797 N ALA A 63 7.232 10.513 8.200 1.00 0.00 N ATOM 798 CA ALA A 63 6.541 9.554 9.039 1.00 0.00 C ATOM 799 C ALA A 63 7.208 8.191 8.921 1.00 0.00 C ATOM 800 O ALA A 63 7.921 7.929 7.955 1.00 0.00 O ATOM 801 CB ALA A 63 5.076 9.477 8.621 1.00 0.00 C ATOM 0 H ALA A 63 7.439 10.176 7.260 1.00 0.00 H new ATOM 0 HA ALA A 63 6.592 9.872 10.080 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.555 8.756 9.251 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.614 10.458 8.733 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.011 9.162 7.580 1.00 0.00 H new ATOM 807 N SER A 64 6.976 7.323 9.908 1.00 0.00 N ATOM 808 CA SER A 64 7.554 5.994 9.908 1.00 0.00 C ATOM 809 C SER A 64 6.509 4.976 10.343 1.00 0.00 C ATOM 810 O SER A 64 5.916 5.110 11.411 1.00 0.00 O ATOM 811 CB SER A 64 8.760 5.965 10.843 1.00 0.00 C ATOM 812 OG SER A 64 8.762 7.127 11.643 1.00 0.00 O ATOM 0 H SER A 64 6.388 7.526 10.717 1.00 0.00 H new ATOM 0 HA SER A 64 7.885 5.737 8.902 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.724 5.076 11.473 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.682 5.908 10.264 1.00 0.00 H new ATOM 0 HG SER A 64 9.535 7.108 12.245 1.00 0.00 H new ATOM 818 N THR A 65 6.285 3.956 9.512 1.00 0.00 N ATOM 819 CA THR A 65 5.316 2.923 9.819 1.00 0.00 C ATOM 820 C THR A 65 5.810 1.579 9.304 1.00 0.00 C ATOM 821 O THR A 65 6.876 1.496 8.698 1.00 0.00 O ATOM 822 CB THR A 65 3.974 3.284 9.188 1.00 0.00 C ATOM 823 OG1 THR A 65 2.982 3.330 10.189 1.00 0.00 O ATOM 824 CG2 THR A 65 3.600 2.230 8.150 1.00 0.00 C ATOM 0 H THR A 65 6.767 3.831 8.622 1.00 0.00 H new ATOM 0 HA THR A 65 5.188 2.849 10.899 1.00 0.00 H new ATOM 0 HB THR A 65 4.050 4.258 8.705 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.147 3.671 9.806 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.642 2.487 7.699 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.367 2.193 7.376 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.524 1.255 8.632 1.00 0.00 H new ATOM 832 N SER A 66 5.029 0.523 9.546 1.00 0.00 N ATOM 833 CA SER A 66 5.389 -0.809 9.106 1.00 0.00 C ATOM 834 C SER A 66 4.222 -1.440 8.359 1.00 0.00 C ATOM 835 O SER A 66 3.129 -1.567 8.906 1.00 0.00 O ATOM 836 CB SER A 66 5.779 -1.656 10.314 1.00 0.00 C ATOM 837 OG SER A 66 5.948 -0.820 11.437 1.00 0.00 O ATOM 0 H SER A 66 4.142 0.575 10.047 1.00 0.00 H new ATOM 0 HA SER A 66 6.241 -0.753 8.428 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.009 -2.401 10.514 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.702 -2.199 10.109 1.00 0.00 H new ATOM 0 HG SER A 66 6.197 -1.363 12.214 1.00 0.00 H new ATOM 843 N LEU A 67 4.457 -1.836 7.106 1.00 0.00 N ATOM 844 CA LEU A 67 3.427 -2.452 6.293 1.00 0.00 C ATOM 845 C LEU A 67 3.720 -3.936 6.124 1.00 0.00 C ATOM 846 O LEU A 67 4.879 -4.345 6.114 1.00 0.00 O ATOM 847 CB LEU A 67 3.368 -1.755 4.936 1.00 0.00 C ATOM 848 CG LEU A 67 1.925 -1.735 4.438 1.00 0.00 C ATOM 849 CD1 LEU A 67 1.553 -3.113 3.900 1.00 0.00 C ATOM 850 CD2 LEU A 67 0.994 -1.370 5.591 1.00 0.00 C ATOM 0 H LEU A 67 5.358 -1.737 6.638 1.00 0.00 H new ATOM 0 HA LEU A 67 2.460 -2.347 6.784 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.749 -0.737 5.021 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.004 -2.275 4.220 1.00 0.00 H new ATOM 0 HG LEU A 67 1.825 -0.996 3.643 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.523 -3.099 3.544 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.218 -3.374 3.076 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.652 -3.853 4.694 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.036 -1.356 5.236 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.093 -2.108 6.387 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.259 -0.385 5.975 1.00 0.00 H new ATOM 862 N THR A 68 2.666 -4.743 5.991 1.00 0.00 N ATOM 863 CA THR A 68 2.819 -6.174 5.823 1.00 0.00 C ATOM 864 C THR A 68 2.400 -6.579 4.417 1.00 0.00 C ATOM 865 O THR A 68 1.451 -6.026 3.865 1.00 0.00 O ATOM 866 CB THR A 68 1.978 -6.901 6.868 1.00 0.00 C ATOM 867 OG1 THR A 68 1.181 -7.876 6.234 1.00 0.00 O ATOM 868 CG2 THR A 68 1.080 -5.898 7.586 1.00 0.00 C ATOM 0 H THR A 68 1.698 -4.421 5.997 1.00 0.00 H new ATOM 0 HA THR A 68 3.865 -6.449 5.961 1.00 0.00 H new ATOM 0 HB THR A 68 2.635 -7.383 7.592 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.755 -8.580 5.867 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.479 -6.417 8.333 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.696 -5.144 8.076 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.423 -5.415 6.863 1.00 0.00 H new ATOM 876 N VAL A 69 3.112 -7.549 3.838 1.00 0.00 N ATOM 877 CA VAL A 69 2.812 -8.024 2.502 1.00 0.00 C ATOM 878 C VAL A 69 2.230 -9.428 2.574 1.00 0.00 C ATOM 879 O VAL A 69 2.832 -10.323 3.162 1.00 0.00 O ATOM 880 CB VAL A 69 4.085 -8.009 1.660 1.00 0.00 C ATOM 881 CG1 VAL A 69 5.299 -8.168 2.570 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.045 -9.159 0.658 1.00 0.00 C ATOM 0 H VAL A 69 3.902 -8.017 4.283 1.00 0.00 H new ATOM 0 HA VAL A 69 2.076 -7.370 2.035 1.00 0.00 H new ATOM 0 HB VAL A 69 4.155 -7.063 1.124 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.208 -8.157 1.969 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.327 -7.346 3.286 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.230 -9.114 3.107 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.954 -9.149 0.056 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.975 -10.106 1.193 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.178 -9.045 0.008 1.00 0.00 H new ATOM 892 N ARG A 70 1.054 -9.620 1.972 1.00 0.00 N ATOM 893 CA ARG A 70 0.396 -10.911 1.970 1.00 0.00 C ATOM 894 C ARG A 70 0.317 -11.448 0.548 1.00 0.00 C ATOM 895 O ARG A 70 0.297 -10.677 -0.408 1.00 0.00 O ATOM 896 CB ARG A 70 -0.998 -10.772 2.574 1.00 0.00 C ATOM 897 CG ARG A 70 -0.941 -11.089 4.066 1.00 0.00 C ATOM 898 CD ARG A 70 0.379 -10.584 4.643 1.00 0.00 C ATOM 899 NE ARG A 70 0.272 -10.366 6.086 1.00 0.00 N ATOM 900 CZ ARG A 70 0.415 -11.352 6.982 1.00 0.00 C ATOM 901 NH1 ARG A 70 0.670 -12.601 6.568 1.00 0.00 N ATOM 902 NH2 ARG A 70 0.305 -11.089 8.291 1.00 0.00 N ATOM 0 H ARG A 70 0.542 -8.888 1.479 1.00 0.00 H new ATOM 0 HA ARG A 70 0.969 -11.616 2.572 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.373 -9.760 2.421 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.692 -11.448 2.074 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -1.779 -10.619 4.581 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.032 -12.164 4.224 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.169 -11.306 4.438 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.663 -9.654 4.151 1.00 0.00 H new ATOM 0 HE ARG A 70 0.080 -9.423 6.424 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.755 -12.801 5.571 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.779 -13.352 7.250 1.00 0.00 H new ATOM 0 HH21 ARG A 70 0.112 -10.138 8.606 1.00 0.00 H new ATOM 0 HH22 ARG A 70 0.414 -11.840 8.973 1.00 0.00 H new ATOM 916 N ARG A 71 0.270 -12.775 0.411 1.00 0.00 N ATOM 917 CA ARG A 71 0.194 -13.408 -0.890 1.00 0.00 C ATOM 918 C ARG A 71 -1.205 -13.236 -1.465 1.00 0.00 C ATOM 919 O ARG A 71 -1.363 -13.033 -2.667 1.00 0.00 O ATOM 920 CB ARG A 71 0.546 -14.886 -0.757 1.00 0.00 C ATOM 921 CG ARG A 71 -0.241 -15.691 -1.787 1.00 0.00 C ATOM 922 CD ARG A 71 0.269 -17.129 -1.808 1.00 0.00 C ATOM 923 NE ARG A 71 -0.102 -17.836 -0.582 1.00 0.00 N ATOM 924 CZ ARG A 71 0.038 -19.161 -0.438 1.00 0.00 C ATOM 925 NH1 ARG A 71 0.537 -19.895 -1.442 1.00 0.00 N ATOM 926 NH2 ARG A 71 -0.322 -19.752 0.710 1.00 0.00 N ATOM 0 H ARG A 71 0.284 -13.427 1.195 1.00 0.00 H new ATOM 0 HA ARG A 71 0.905 -12.939 -1.570 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.616 -15.031 -0.907 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.314 -15.237 0.249 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.303 -15.674 -1.543 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.134 -15.242 -2.774 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.142 -17.652 -2.672 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.353 -17.132 -1.920 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.483 -17.298 0.196 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.810 -19.445 -2.316 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.644 -20.903 -1.332 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.702 -19.193 1.474 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.216 -20.760 0.820 1.00 0.00 H new ATOM 940 N SER A 72 -2.221 -13.318 -0.603 1.00 0.00 N ATOM 941 CA SER A 72 -3.598 -13.170 -1.030 1.00 0.00 C ATOM 942 C SER A 72 -4.434 -12.604 0.110 1.00 0.00 C ATOM 943 O SER A 72 -4.103 -12.792 1.278 1.00 0.00 O ATOM 944 CB SER A 72 -4.139 -14.525 -1.477 1.00 0.00 C ATOM 945 OG SER A 72 -5.453 -14.368 -1.964 1.00 0.00 O ATOM 0 H SER A 72 -2.107 -13.487 0.396 1.00 0.00 H new ATOM 0 HA SER A 72 -3.650 -12.478 -1.870 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.500 -14.946 -2.253 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.130 -15.226 -0.642 1.00 0.00 H new ATOM 0 HG SER A 72 -5.426 -13.939 -2.845 1.00 0.00 H new ATOM 951 N PHE A 73 -5.522 -11.910 -0.233 1.00 0.00 N ATOM 952 CA PHE A 73 -6.397 -11.324 0.761 1.00 0.00 C ATOM 953 C PHE A 73 -7.584 -10.660 0.078 1.00 0.00 C ATOM 954 O PHE A 73 -7.520 -10.339 -1.107 1.00 0.00 O ATOM 955 CB PHE A 73 -5.615 -10.312 1.593 1.00 0.00 C ATOM 956 CG PHE A 73 -4.737 -9.403 0.766 1.00 0.00 C ATOM 957 CD1 PHE A 73 -5.315 -8.416 -0.041 1.00 0.00 C ATOM 958 CD2 PHE A 73 -3.345 -9.545 0.809 1.00 0.00 C ATOM 959 CE1 PHE A 73 -4.501 -7.572 -0.806 1.00 0.00 C ATOM 960 CE2 PHE A 73 -2.531 -8.701 0.044 1.00 0.00 C ATOM 961 CZ PHE A 73 -3.109 -7.715 -0.764 1.00 0.00 C ATOM 0 H PHE A 73 -5.811 -11.745 -1.197 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.775 -12.103 1.423 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.316 -9.705 2.165 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -4.995 -10.847 2.313 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.389 -8.306 -0.074 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.899 -10.306 1.432 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.947 -6.811 -1.429 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.457 -8.811 0.077 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.481 -7.065 -1.355 1.00 0.00 H new ATOM 971 N GLU A 74 -8.669 -10.453 0.828 1.00 0.00 N ATOM 972 CA GLU A 74 -9.860 -9.828 0.289 1.00 0.00 C ATOM 973 C GLU A 74 -9.502 -8.493 -0.350 1.00 0.00 C ATOM 974 O GLU A 74 -9.085 -7.565 0.339 1.00 0.00 O ATOM 975 CB GLU A 74 -10.882 -9.636 1.406 1.00 0.00 C ATOM 976 CG GLU A 74 -10.176 -9.125 2.659 1.00 0.00 C ATOM 977 CD GLU A 74 -10.087 -10.217 3.715 1.00 0.00 C ATOM 978 OE1 GLU A 74 -11.011 -11.059 3.741 1.00 0.00 O ATOM 979 OE2 GLU A 74 -9.097 -10.189 4.478 1.00 0.00 O ATOM 0 H GLU A 74 -8.739 -10.713 1.812 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.294 -10.469 -0.478 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.649 -8.928 1.094 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.386 -10.579 1.618 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.175 -8.780 2.402 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.715 -8.268 3.061 1.00 0.00 H new ATOM 986 N GLY A 75 -9.667 -8.398 -1.671 1.00 0.00 N ATOM 987 CA GLY A 75 -9.361 -7.178 -2.391 1.00 0.00 C ATOM 988 C GLY A 75 -10.398 -6.108 -2.079 1.00 0.00 C ATOM 989 O GLY A 75 -11.443 -6.046 -2.723 1.00 0.00 O ATOM 0 H GLY A 75 -10.012 -9.158 -2.258 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.368 -6.824 -2.115 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.342 -7.375 -3.463 1.00 0.00 H new ATOM 993 N PHE A 76 -10.106 -5.263 -1.088 1.00 0.00 N ATOM 994 CA PHE A 76 -11.013 -4.202 -0.698 1.00 0.00 C ATOM 995 C PHE A 76 -10.819 -2.997 -1.607 1.00 0.00 C ATOM 996 O PHE A 76 -9.888 -2.216 -1.417 1.00 0.00 O ATOM 997 CB PHE A 76 -10.758 -3.827 0.760 1.00 0.00 C ATOM 998 CG PHE A 76 -11.979 -3.962 1.638 1.00 0.00 C ATOM 999 CD1 PHE A 76 -13.076 -3.114 1.447 1.00 0.00 C ATOM 1000 CD2 PHE A 76 -12.013 -4.933 2.646 1.00 0.00 C ATOM 1001 CE1 PHE A 76 -14.207 -3.237 2.263 1.00 0.00 C ATOM 1002 CE2 PHE A 76 -13.144 -5.056 3.462 1.00 0.00 C ATOM 1003 CZ PHE A 76 -14.241 -4.208 3.270 1.00 0.00 C ATOM 0 H PHE A 76 -9.244 -5.300 -0.545 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.043 -4.544 -0.797 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.963 -4.459 1.156 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -10.399 -2.799 0.805 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -13.050 -2.364 0.670 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.167 -5.587 2.794 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -15.053 -2.582 2.115 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -13.170 -5.805 4.240 1.00 0.00 H new ATOM 0 HZ PHE A 76 -15.114 -4.303 3.899 1.00 0.00 H new ATOM 1013 N LEU A 77 -11.702 -2.846 -2.597 1.00 0.00 N ATOM 1014 CA LEU A 77 -11.624 -1.738 -3.529 1.00 0.00 C ATOM 1015 C LEU A 77 -11.705 -0.420 -2.772 1.00 0.00 C ATOM 1016 O LEU A 77 -12.578 -0.239 -1.927 1.00 0.00 O ATOM 1017 CB LEU A 77 -12.757 -1.849 -4.545 1.00 0.00 C ATOM 1018 CG LEU A 77 -13.160 -0.453 -5.011 1.00 0.00 C ATOM 1019 CD1 LEU A 77 -11.993 0.193 -5.753 1.00 0.00 C ATOM 1020 CD2 LEU A 77 -14.363 -0.555 -5.944 1.00 0.00 C ATOM 0 H LEU A 77 -12.479 -3.484 -2.767 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.673 -1.770 -4.060 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -12.439 -2.451 -5.396 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -13.612 -2.356 -4.098 1.00 0.00 H new ATOM 0 HG LEU A 77 -13.422 0.157 -4.146 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.281 1.190 -6.086 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -11.134 0.267 -5.086 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -11.730 -0.416 -6.618 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -14.651 0.442 -6.277 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -14.102 -1.165 -6.809 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -15.197 -1.015 -5.414 1.00 0.00 H new ATOM 1032 N PHE A 78 -10.790 0.503 -3.078 1.00 0.00 N ATOM 1033 CA PHE A 78 -10.765 1.797 -2.427 1.00 0.00 C ATOM 1034 C PHE A 78 -12.167 2.390 -2.400 1.00 0.00 C ATOM 1035 O PHE A 78 -12.548 3.044 -1.432 1.00 0.00 O ATOM 1036 CB PHE A 78 -9.801 2.720 -3.168 1.00 0.00 C ATOM 1037 CG PHE A 78 -8.390 2.672 -2.634 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -8.118 3.118 -1.335 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -7.354 2.181 -3.436 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -6.810 3.072 -0.838 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -6.045 2.135 -2.940 1.00 0.00 C ATOM 1042 CZ PHE A 78 -5.773 2.580 -1.641 1.00 0.00 C ATOM 0 H PHE A 78 -10.058 0.369 -3.776 1.00 0.00 H new ATOM 0 HA PHE A 78 -10.421 1.684 -1.399 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -9.791 2.449 -4.224 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -10.170 3.744 -3.105 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -8.918 3.498 -0.716 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -7.564 1.837 -4.438 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.601 3.416 0.164 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -5.246 1.756 -3.560 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.764 2.544 -1.258 1.00 0.00 H new ATOM 1052 N ASP A 79 -12.935 2.159 -3.467 1.00 0.00 N ATOM 1053 CA ASP A 79 -14.287 2.670 -3.560 1.00 0.00 C ATOM 1054 C ASP A 79 -15.106 2.179 -2.375 1.00 0.00 C ATOM 1055 O ASP A 79 -16.162 2.732 -2.077 1.00 0.00 O ATOM 1056 CB ASP A 79 -14.913 2.216 -4.876 1.00 0.00 C ATOM 1057 CG ASP A 79 -15.782 3.313 -5.473 1.00 0.00 C ATOM 1058 OD1 ASP A 79 -16.389 4.055 -4.671 1.00 0.00 O ATOM 1059 OD2 ASP A 79 -15.824 3.389 -6.720 1.00 0.00 O ATOM 0 H ASP A 79 -12.634 1.618 -4.277 1.00 0.00 H new ATOM 0 HA ASP A 79 -14.270 3.760 -3.538 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -14.128 1.944 -5.582 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -15.514 1.322 -4.708 1.00 0.00 H new ATOM 1064 N GLY A 80 -14.618 1.137 -1.699 1.00 0.00 N ATOM 1065 CA GLY A 80 -15.310 0.581 -0.553 1.00 0.00 C ATOM 1066 C GLY A 80 -16.118 -0.641 -0.966 1.00 0.00 C ATOM 1067 O GLY A 80 -17.126 -0.963 -0.341 1.00 0.00 O ATOM 0 H GLY A 80 -13.744 0.666 -1.932 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -14.589 0.306 0.217 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -15.970 1.332 -0.118 1.00 0.00 H new ATOM 1071 N THR A 81 -15.673 -1.323 -2.024 1.00 0.00 N ATOM 1072 CA THR A 81 -16.357 -2.504 -2.511 1.00 0.00 C ATOM 1073 C THR A 81 -15.476 -3.730 -2.319 1.00 0.00 C ATOM 1074 O THR A 81 -14.259 -3.655 -2.477 1.00 0.00 O ATOM 1075 CB THR A 81 -16.708 -2.316 -3.984 1.00 0.00 C ATOM 1076 OG1 THR A 81 -17.917 -1.598 -4.090 1.00 0.00 O ATOM 1077 CG2 THR A 81 -16.867 -3.681 -4.647 1.00 0.00 C ATOM 0 H THR A 81 -14.840 -1.070 -2.555 1.00 0.00 H new ATOM 0 HA THR A 81 -17.278 -2.653 -1.947 1.00 0.00 H new ATOM 0 HB THR A 81 -15.911 -1.762 -4.480 1.00 0.00 H new ATOM 0 HG1 THR A 81 -18.143 -1.475 -5.036 1.00 0.00 H new ATOM 0 HG21 THR A 81 -17.118 -3.547 -5.699 1.00 0.00 H new ATOM 0 HG22 THR A 81 -15.933 -4.237 -4.564 1.00 0.00 H new ATOM 0 HG23 THR A 81 -17.664 -4.235 -4.152 1.00 0.00 H new ATOM 1085 N ARG A 82 -16.094 -4.863 -1.978 1.00 0.00 N ATOM 1086 CA ARG A 82 -15.367 -6.098 -1.766 1.00 0.00 C ATOM 1087 C ARG A 82 -15.218 -6.842 -3.085 1.00 0.00 C ATOM 1088 O ARG A 82 -16.110 -7.586 -3.484 1.00 0.00 O ATOM 1089 CB ARG A 82 -16.108 -6.954 -0.743 1.00 0.00 C ATOM 1090 CG ARG A 82 -17.542 -7.179 -1.212 1.00 0.00 C ATOM 1091 CD ARG A 82 -18.511 -6.650 -0.159 1.00 0.00 C ATOM 1092 NE ARG A 82 -19.832 -6.403 -0.737 1.00 0.00 N ATOM 1093 CZ ARG A 82 -20.870 -5.960 -0.013 1.00 0.00 C ATOM 1094 NH1 ARG A 82 -20.720 -5.724 1.297 1.00 0.00 N ATOM 1095 NH2 ARG A 82 -22.056 -5.753 -0.600 1.00 0.00 N ATOM 0 H ARG A 82 -17.102 -4.942 -1.844 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.371 -5.877 -1.382 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.601 -7.911 -0.618 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -16.105 -6.462 0.229 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -17.709 -6.672 -2.162 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -17.718 -8.241 -1.382 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -18.596 -7.369 0.656 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -18.120 -5.727 0.269 1.00 0.00 H new ATOM 0 HE ARG A 82 -19.969 -6.575 -1.733 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -19.816 -5.881 1.743 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -21.509 -5.387 1.848 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -22.169 -5.932 -1.598 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -22.846 -5.416 -0.049 1.00 0.00 H new ATOM 1109 N TRP A 83 -14.086 -6.639 -3.764 1.00 0.00 N ATOM 1110 CA TRP A 83 -13.830 -7.294 -5.031 1.00 0.00 C ATOM 1111 C TRP A 83 -13.761 -8.801 -4.831 1.00 0.00 C ATOM 1112 O TRP A 83 -14.526 -9.547 -5.438 1.00 0.00 O ATOM 1113 CB TRP A 83 -12.526 -6.766 -5.621 1.00 0.00 C ATOM 1114 CG TRP A 83 -12.176 -7.316 -6.967 1.00 0.00 C ATOM 1115 CD1 TRP A 83 -11.569 -8.501 -7.192 1.00 0.00 C ATOM 1116 CD2 TRP A 83 -12.398 -6.725 -8.284 1.00 0.00 C ATOM 1117 NE1 TRP A 83 -11.401 -8.684 -8.548 1.00 0.00 N ATOM 1118 CE2 TRP A 83 -11.895 -7.617 -9.270 1.00 0.00 C ATOM 1119 CE3 TRP A 83 -12.972 -5.528 -8.746 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 -11.958 -7.337 -10.638 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 -13.040 -5.237 -10.116 1.00 0.00 C ATOM 1122 CH2 TRP A 83 -12.535 -6.137 -11.063 1.00 0.00 C ATOM 0 H TRP A 83 -13.336 -6.023 -3.449 1.00 0.00 H new ATOM 0 HA TRP A 83 -14.642 -7.078 -5.726 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -12.590 -5.680 -5.694 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -11.714 -6.992 -4.930 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -11.262 -9.199 -6.427 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -10.965 -9.506 -8.966 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -13.368 -4.820 -8.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -11.565 -8.040 -11.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -13.486 -4.310 -10.444 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -12.591 -5.905 -12.116 1.00 0.00 H new ATOM 1133 N GLY A 84 -12.840 -9.250 -3.975 1.00 0.00 N ATOM 1134 CA GLY A 84 -12.679 -10.664 -3.702 1.00 0.00 C ATOM 1135 C GLY A 84 -11.233 -10.969 -3.335 1.00 0.00 C ATOM 1136 O GLY A 84 -10.364 -10.110 -3.459 1.00 0.00 O ATOM 0 H GLY A 84 -12.197 -8.646 -3.462 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.339 -10.962 -2.887 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.970 -11.246 -4.577 1.00 0.00 H new ATOM 1140 N THR A 85 -10.978 -12.199 -2.881 1.00 0.00 N ATOM 1141 CA THR A 85 -9.641 -12.607 -2.500 1.00 0.00 C ATOM 1142 C THR A 85 -8.695 -12.454 -3.683 1.00 0.00 C ATOM 1143 O THR A 85 -8.773 -13.214 -4.646 1.00 0.00 O ATOM 1144 CB THR A 85 -9.670 -14.053 -2.015 1.00 0.00 C ATOM 1145 OG1 THR A 85 -10.985 -14.394 -1.634 1.00 0.00 O ATOM 1146 CG2 THR A 85 -8.738 -14.208 -0.817 1.00 0.00 C ATOM 0 H THR A 85 -11.687 -12.924 -2.772 1.00 0.00 H new ATOM 0 HA THR A 85 -9.282 -11.972 -1.690 1.00 0.00 H new ATOM 0 HB THR A 85 -9.341 -14.712 -2.818 1.00 0.00 H new ATOM 0 HG1 THR A 85 -11.456 -14.786 -2.399 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.759 -15.241 -0.471 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.722 -13.944 -1.110 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.066 -13.549 -0.013 1.00 0.00 H new ATOM 1154 N VAL A 86 -7.799 -11.468 -3.608 1.00 0.00 N ATOM 1155 CA VAL A 86 -6.843 -11.220 -4.669 1.00 0.00 C ATOM 1156 C VAL A 86 -5.576 -12.025 -4.418 1.00 0.00 C ATOM 1157 O VAL A 86 -5.232 -12.304 -3.272 1.00 0.00 O ATOM 1158 CB VAL A 86 -6.532 -9.727 -4.733 1.00 0.00 C ATOM 1159 CG1 VAL A 86 -7.831 -8.943 -4.900 1.00 0.00 C ATOM 1160 CG2 VAL A 86 -5.840 -9.296 -3.444 1.00 0.00 C ATOM 0 H VAL A 86 -7.722 -10.830 -2.816 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.264 -11.531 -5.625 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.877 -9.529 -5.581 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -7.609 -7.877 -4.946 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.326 -9.251 -5.821 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -8.487 -9.141 -4.052 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -5.618 -8.230 -3.489 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -6.495 -9.494 -2.596 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -4.912 -9.855 -3.325 1.00 0.00 H new ATOM 1170 N ASP A 87 -4.881 -12.398 -5.496 1.00 0.00 N ATOM 1171 CA ASP A 87 -3.659 -13.168 -5.387 1.00 0.00 C ATOM 1172 C ASP A 87 -2.466 -12.292 -5.745 1.00 0.00 C ATOM 1173 O ASP A 87 -2.060 -12.237 -6.903 1.00 0.00 O ATOM 1174 CB ASP A 87 -3.737 -14.379 -6.313 1.00 0.00 C ATOM 1175 CG ASP A 87 -4.445 -15.540 -5.629 1.00 0.00 C ATOM 1176 OD1 ASP A 87 -4.421 -15.562 -4.379 1.00 0.00 O ATOM 1177 OD2 ASP A 87 -4.995 -16.384 -6.369 1.00 0.00 O ATOM 0 H ASP A 87 -5.153 -12.174 -6.453 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.535 -13.518 -4.362 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.269 -14.110 -7.226 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.732 -14.683 -6.607 1.00 0.00 H new ATOM 1182 N CYS A 88 -1.905 -11.608 -4.745 1.00 0.00 N ATOM 1183 CA CYS A 88 -0.764 -10.740 -4.958 1.00 0.00 C ATOM 1184 C CYS A 88 0.341 -11.508 -5.670 1.00 0.00 C ATOM 1185 O CYS A 88 1.182 -10.911 -6.339 1.00 0.00 O ATOM 1186 CB CYS A 88 -0.273 -10.208 -3.614 1.00 0.00 C ATOM 1187 SG CYS A 88 -1.068 -8.666 -3.099 1.00 0.00 S ATOM 0 H CYS A 88 -2.230 -11.645 -3.779 1.00 0.00 H new ATOM 0 HA CYS A 88 -1.055 -9.896 -5.584 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -0.445 -10.966 -2.850 1.00 0.00 H new ATOM 0 HB3 CYS A 88 0.804 -10.049 -3.669 1.00 0.00 H new ATOM 1192 N THR A 89 0.338 -12.835 -5.527 1.00 0.00 N ATOM 1193 CA THR A 89 1.338 -13.671 -6.158 1.00 0.00 C ATOM 1194 C THR A 89 0.993 -13.875 -7.626 1.00 0.00 C ATOM 1195 O THR A 89 1.733 -14.530 -8.356 1.00 0.00 O ATOM 1196 CB THR A 89 1.413 -15.010 -5.430 1.00 0.00 C ATOM 1197 OG1 THR A 89 0.120 -15.395 -5.019 1.00 0.00 O ATOM 1198 CG2 THR A 89 2.317 -14.875 -4.208 1.00 0.00 C ATOM 0 H THR A 89 -0.352 -13.346 -4.976 1.00 0.00 H new ATOM 0 HA THR A 89 2.311 -13.184 -6.100 1.00 0.00 H new ATOM 0 HB THR A 89 1.821 -15.766 -6.101 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.141 -16.321 -4.698 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.371 -15.831 -3.688 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.316 -14.578 -4.526 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.910 -14.119 -3.536 1.00 0.00 H new ATOM 1206 N THR A 90 -0.137 -13.310 -8.059 1.00 0.00 N ATOM 1207 CA THR A 90 -0.570 -13.433 -9.436 1.00 0.00 C ATOM 1208 C THR A 90 -0.588 -12.062 -10.099 1.00 0.00 C ATOM 1209 O THR A 90 -0.411 -11.953 -11.310 1.00 0.00 O ATOM 1210 CB THR A 90 -1.955 -14.071 -9.478 1.00 0.00 C ATOM 1211 OG1 THR A 90 -1.825 -15.466 -9.635 1.00 0.00 O ATOM 1212 CG2 THR A 90 -2.745 -13.499 -10.652 1.00 0.00 C ATOM 0 H THR A 90 -0.763 -12.764 -7.468 1.00 0.00 H new ATOM 0 HA THR A 90 0.126 -14.069 -9.983 1.00 0.00 H new ATOM 0 HB THR A 90 -2.481 -13.857 -8.548 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.714 -15.877 -9.660 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.734 -13.955 -10.681 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.846 -12.420 -10.531 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.219 -13.712 -11.583 1.00 0.00 H new ATOM 1220 N ALA A 91 -0.804 -11.015 -9.299 1.00 0.00 N ATOM 1221 CA ALA A 91 -0.845 -9.660 -9.809 1.00 0.00 C ATOM 1222 C ALA A 91 0.259 -8.833 -9.166 1.00 0.00 C ATOM 1223 O ALA A 91 1.174 -9.383 -8.557 1.00 0.00 O ATOM 1224 CB ALA A 91 -2.214 -9.051 -9.521 1.00 0.00 C ATOM 0 H ALA A 91 -0.953 -11.090 -8.293 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.684 -9.668 -10.887 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.246 -8.031 -9.904 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.987 -9.646 -10.008 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.388 -9.040 -8.445 1.00 0.00 H new ATOM 1230 N ALA A 92 0.172 -7.508 -9.303 1.00 0.00 N ATOM 1231 CA ALA A 92 1.162 -6.614 -8.737 1.00 0.00 C ATOM 1232 C ALA A 92 0.674 -6.086 -7.395 1.00 0.00 C ATOM 1233 O ALA A 92 -0.412 -5.517 -7.308 1.00 0.00 O ATOM 1234 CB ALA A 92 1.423 -5.466 -9.707 1.00 0.00 C ATOM 0 H ALA A 92 -0.581 -7.037 -9.805 1.00 0.00 H new ATOM 0 HA ALA A 92 2.095 -7.154 -8.575 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.168 -4.793 -9.282 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.792 -5.865 -10.652 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.496 -4.919 -9.881 1.00 0.00 H new ATOM 1240 N CYS A 93 1.479 -6.278 -6.348 1.00 0.00 N ATOM 1241 CA CYS A 93 1.127 -5.822 -5.018 1.00 0.00 C ATOM 1242 C CYS A 93 1.925 -4.573 -4.674 1.00 0.00 C ATOM 1243 O CYS A 93 3.027 -4.379 -5.182 1.00 0.00 O ATOM 1244 CB CYS A 93 1.402 -6.935 -4.011 1.00 0.00 C ATOM 1245 SG CYS A 93 0.120 -7.113 -2.745 1.00 0.00 S ATOM 0 H CYS A 93 2.382 -6.749 -6.405 1.00 0.00 H new ATOM 0 HA CYS A 93 0.067 -5.572 -4.983 1.00 0.00 H new ATOM 0 HB2 CYS A 93 1.503 -7.879 -4.546 1.00 0.00 H new ATOM 0 HB3 CYS A 93 2.357 -6.742 -3.522 1.00 0.00 H new ATOM 1250 N GLN A 94 1.366 -3.724 -3.808 1.00 0.00 N ATOM 1251 CA GLN A 94 2.027 -2.500 -3.403 1.00 0.00 C ATOM 1252 C GLN A 94 1.304 -1.893 -2.209 1.00 0.00 C ATOM 1253 O GLN A 94 0.088 -2.023 -2.085 1.00 0.00 O ATOM 1254 CB GLN A 94 2.049 -1.524 -4.576 1.00 0.00 C ATOM 1255 CG GLN A 94 1.648 -0.134 -4.090 1.00 0.00 C ATOM 1256 CD GLN A 94 1.629 0.860 -5.242 1.00 0.00 C ATOM 1257 OE1 GLN A 94 2.584 1.610 -5.432 1.00 0.00 O ATOM 1258 NE2 GLN A 94 0.538 0.864 -6.011 1.00 0.00 N ATOM 0 H GLN A 94 0.453 -3.871 -3.377 1.00 0.00 H new ATOM 0 HA GLN A 94 3.054 -2.717 -3.108 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.045 -1.493 -5.018 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.365 -1.860 -5.355 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.663 -0.177 -3.625 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.347 0.204 -3.325 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -0.229 0.221 -5.812 1.00 0.00 H new ATOM 0 HE22 GLN A 94 0.471 1.510 -6.798 1.00 0.00 H new ATOM 1267 N VAL A 95 2.055 -1.227 -1.330 1.00 0.00 N ATOM 1268 CA VAL A 95 1.485 -0.603 -0.153 1.00 0.00 C ATOM 1269 C VAL A 95 1.292 0.886 -0.401 1.00 0.00 C ATOM 1270 O VAL A 95 1.848 1.436 -1.349 1.00 0.00 O ATOM 1271 CB VAL A 95 2.404 -0.838 1.042 1.00 0.00 C ATOM 1272 CG1 VAL A 95 2.131 0.218 2.109 1.00 0.00 C ATOM 1273 CG2 VAL A 95 2.140 -2.225 1.621 1.00 0.00 C ATOM 0 H VAL A 95 3.064 -1.110 -1.419 1.00 0.00 H new ATOM 0 HA VAL A 95 0.512 -1.044 0.062 1.00 0.00 H new ATOM 0 HB VAL A 95 3.443 -0.770 0.720 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.787 0.051 2.963 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.318 1.209 1.696 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.092 0.150 2.431 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.796 -2.394 2.475 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.101 -2.293 1.943 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.334 -2.980 0.859 1.00 0.00 H new ATOM 1283 N GLY A 96 0.502 1.539 0.454 1.00 0.00 N ATOM 1284 CA GLY A 96 0.244 2.959 0.318 1.00 0.00 C ATOM 1285 C GLY A 96 -0.514 3.476 1.534 1.00 0.00 C ATOM 1286 O GLY A 96 -1.132 2.700 2.259 1.00 0.00 O ATOM 0 H GLY A 96 0.033 1.099 1.246 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.185 3.498 0.211 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.335 3.146 -0.587 1.00 0.00 H new ATOM 1290 N LEU A 97 -0.464 4.792 1.754 1.00 0.00 N ATOM 1291 CA LEU A 97 -1.143 5.405 2.878 1.00 0.00 C ATOM 1292 C LEU A 97 -2.452 6.027 2.413 1.00 0.00 C ATOM 1293 O LEU A 97 -2.655 6.233 1.218 1.00 0.00 O ATOM 1294 CB LEU A 97 -0.236 6.460 3.505 1.00 0.00 C ATOM 1295 CG LEU A 97 0.783 5.779 4.414 1.00 0.00 C ATOM 1296 CD1 LEU A 97 2.029 5.427 3.607 1.00 0.00 C ATOM 1297 CD2 LEU A 97 1.162 6.725 5.550 1.00 0.00 C ATOM 0 H LEU A 97 0.044 5.448 1.161 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.370 4.647 3.628 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.276 7.025 2.726 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.830 7.173 4.077 1.00 0.00 H new ATOM 0 HG LEU A 97 0.350 4.869 4.828 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.757 4.941 4.256 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.758 4.752 2.795 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.463 6.337 3.192 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.890 6.240 6.200 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.595 7.635 5.136 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.272 6.977 6.126 1.00 0.00 H new ATOM 1309 N SER A 98 -3.342 6.327 3.362 1.00 0.00 N ATOM 1310 CA SER A 98 -4.624 6.924 3.045 1.00 0.00 C ATOM 1311 C SER A 98 -5.154 7.683 4.253 1.00 0.00 C ATOM 1312 O SER A 98 -5.336 7.104 5.322 1.00 0.00 O ATOM 1313 CB SER A 98 -5.602 5.831 2.621 1.00 0.00 C ATOM 1314 OG SER A 98 -5.010 5.033 1.620 1.00 0.00 O ATOM 0 HA SER A 98 -4.507 7.629 2.222 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.871 5.216 3.480 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.523 6.278 2.247 1.00 0.00 H new ATOM 0 HG SER A 98 -4.336 5.558 1.139 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.402 8.983 4.081 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.908 9.813 5.156 1.00 0.00 C ATOM 1322 C ASP A 99 -7.316 10.284 4.822 1.00 0.00 C ATOM 1323 O ASP A 99 -7.929 9.795 3.876 1.00 0.00 O ATOM 1324 CB ASP A 99 -4.974 11.002 5.362 1.00 0.00 C ATOM 1325 CG ASP A 99 -5.159 12.036 4.260 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -4.823 11.699 3.104 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -5.632 13.144 4.594 1.00 0.00 O ATOM 0 H ASP A 99 -5.257 9.478 3.201 1.00 0.00 H new ATOM 0 HA ASP A 99 -5.948 9.236 6.080 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.170 11.459 6.332 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.939 10.659 5.374 1.00 0.00 H new ATOM 1332 N ALA A 100 -7.830 11.238 5.603 1.00 0.00 N ATOM 1333 CA ALA A 100 -9.161 11.768 5.388 1.00 0.00 C ATOM 1334 C ALA A 100 -9.350 12.105 3.916 1.00 0.00 C ATOM 1335 O ALA A 100 -10.471 12.095 3.414 1.00 0.00 O ATOM 1336 CB ALA A 100 -9.361 13.006 6.257 1.00 0.00 C ATOM 0 H ALA A 100 -7.335 11.655 6.391 1.00 0.00 H new ATOM 0 HA ALA A 100 -9.904 11.021 5.667 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -10.362 13.406 6.096 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.242 12.737 7.307 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.622 13.761 5.990 1.00 0.00 H new ATOM 1342 N ALA A 101 -8.248 12.405 3.225 1.00 0.00 N ATOM 1343 CA ALA A 101 -8.297 12.745 1.817 1.00 0.00 C ATOM 1344 C ALA A 101 -7.938 11.526 0.980 1.00 0.00 C ATOM 1345 O ALA A 101 -8.353 11.418 -0.172 1.00 0.00 O ATOM 1346 CB ALA A 101 -7.334 13.895 1.538 1.00 0.00 C ATOM 0 H ALA A 101 -7.311 12.417 3.627 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.306 13.061 1.550 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.370 14.151 0.479 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -7.622 14.763 2.131 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.321 13.594 1.804 1.00 0.00 H new ATOM 1352 N GLY A 102 -7.164 10.606 1.560 1.00 0.00 N ATOM 1353 CA GLY A 102 -6.757 9.403 0.861 1.00 0.00 C ATOM 1354 C GLY A 102 -5.421 9.625 0.165 1.00 0.00 C ATOM 1355 O GLY A 102 -5.082 8.909 -0.775 1.00 0.00 O ATOM 0 H GLY A 102 -6.810 10.679 2.514 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -6.675 8.575 1.565 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.515 9.125 0.129 1.00 0.00 H new ATOM 1359 N ASN A 103 -4.663 10.621 0.629 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.371 10.930 0.049 1.00 0.00 C ATOM 1361 C ASN A 103 -2.452 9.721 0.157 1.00 0.00 C ATOM 1362 O ASN A 103 -2.913 8.583 0.134 1.00 0.00 O ATOM 1363 CB ASN A 103 -2.768 12.133 0.768 1.00 0.00 C ATOM 1364 CG ASN A 103 -2.201 11.730 2.121 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -1.253 12.344 2.607 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -2.784 10.696 2.731 1.00 0.00 N ATOM 0 H ASN A 103 -4.930 11.224 1.407 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.491 11.175 -1.006 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -1.980 12.570 0.155 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -3.530 12.900 0.903 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -2.445 10.384 3.641 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -3.568 10.218 2.287 1.00 0.00 H new ATOM 1373 N GLY A 104 -1.145 9.971 0.276 1.00 0.00 N ATOM 1374 CA GLY A 104 -0.173 8.902 0.386 1.00 0.00 C ATOM 1375 C GLY A 104 1.085 9.251 -0.396 1.00 0.00 C ATOM 1376 O GLY A 104 1.025 9.990 -1.376 1.00 0.00 O ATOM 0 H GLY A 104 -0.744 10.909 0.298 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.076 8.734 1.434 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.599 7.973 0.007 1.00 0.00 H new ATOM 1380 N PRO A 105 2.228 8.716 0.041 1.00 0.00 N ATOM 1381 CA PRO A 105 3.519 8.934 -0.576 1.00 0.00 C ATOM 1382 C PRO A 105 3.588 8.180 -1.896 1.00 0.00 C ATOM 1383 O PRO A 105 2.800 7.267 -2.133 1.00 0.00 O ATOM 1384 CB PRO A 105 4.530 8.379 0.425 1.00 0.00 C ATOM 1385 CG PRO A 105 3.745 7.264 1.115 1.00 0.00 C ATOM 1386 CD PRO A 105 2.334 7.844 1.190 1.00 0.00 C ATOM 0 HA PRO A 105 3.711 9.984 -0.799 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.423 7.998 -0.071 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.858 9.140 1.133 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.772 6.336 0.543 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.144 7.040 2.104 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.581 7.056 1.159 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.182 8.394 2.119 1.00 0.00 H new ATOM 1394 N GLU A 106 4.533 8.564 -2.757 1.00 0.00 N ATOM 1395 CA GLU A 106 4.696 7.922 -4.046 1.00 0.00 C ATOM 1396 C GLU A 106 4.313 6.452 -3.946 1.00 0.00 C ATOM 1397 O GLU A 106 4.907 5.703 -3.174 1.00 0.00 O ATOM 1398 CB GLU A 106 6.143 8.073 -4.508 1.00 0.00 C ATOM 1399 CG GLU A 106 6.257 9.277 -5.438 1.00 0.00 C ATOM 1400 CD GLU A 106 7.702 9.507 -5.854 1.00 0.00 C ATOM 1401 OE1 GLU A 106 8.556 9.546 -4.942 1.00 0.00 O ATOM 1402 OE2 GLU A 106 7.927 9.641 -7.076 1.00 0.00 O ATOM 0 H GLU A 106 5.194 9.319 -2.576 1.00 0.00 H new ATOM 0 HA GLU A 106 4.042 8.397 -4.777 1.00 0.00 H new ATOM 0 HB2 GLU A 106 6.799 8.201 -3.647 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.467 7.169 -5.024 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.641 9.118 -6.323 1.00 0.00 H new ATOM 0 HG3 GLU A 106 5.873 10.166 -4.938 1.00 0.00 H new ATOM 1409 N GLY A 107 3.315 6.039 -4.732 1.00 0.00 N ATOM 1410 CA GLY A 107 2.862 4.662 -4.725 1.00 0.00 C ATOM 1411 C GLY A 107 4.028 3.724 -4.450 1.00 0.00 C ATOM 1412 O GLY A 107 5.167 4.024 -4.803 1.00 0.00 O ATOM 0 H GLY A 107 2.811 6.646 -5.379 1.00 0.00 H new ATOM 0 HA2 GLY A 107 2.092 4.529 -3.965 1.00 0.00 H new ATOM 0 HA3 GLY A 107 2.408 4.417 -5.685 1.00 0.00 H new ATOM 1416 N VAL A 108 3.742 2.584 -3.816 1.00 0.00 N ATOM 1417 CA VAL A 108 4.765 1.609 -3.497 1.00 0.00 C ATOM 1418 C VAL A 108 4.608 0.387 -4.390 1.00 0.00 C ATOM 1419 O VAL A 108 3.725 -0.439 -4.166 1.00 0.00 O ATOM 1420 CB VAL A 108 4.655 1.222 -2.025 1.00 0.00 C ATOM 1421 CG1 VAL A 108 5.214 -0.184 -1.825 1.00 0.00 C ATOM 1422 CG2 VAL A 108 5.450 2.211 -1.178 1.00 0.00 C ATOM 0 H VAL A 108 2.803 2.321 -3.516 1.00 0.00 H new ATOM 0 HA VAL A 108 5.751 2.038 -3.673 1.00 0.00 H new ATOM 0 HB VAL A 108 3.608 1.243 -1.721 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.136 -0.461 -0.774 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.646 -0.891 -2.430 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.261 -0.206 -2.129 1.00 0.00 H new ATOM 0 HG21 VAL A 108 5.372 1.935 -0.126 1.00 0.00 H new ATOM 0 HG22 VAL A 108 6.497 2.191 -1.481 1.00 0.00 H new ATOM 0 HG23 VAL A 108 5.050 3.215 -1.320 1.00 0.00 H new ATOM 1432 N ALA A 109 5.468 0.272 -5.404 1.00 0.00 N ATOM 1433 CA ALA A 109 5.420 -0.846 -6.325 1.00 0.00 C ATOM 1434 C ALA A 109 6.081 -2.062 -5.693 1.00 0.00 C ATOM 1435 O ALA A 109 7.220 -1.986 -5.238 1.00 0.00 O ATOM 1436 CB ALA A 109 6.121 -0.463 -7.625 1.00 0.00 C ATOM 0 H ALA A 109 6.206 0.947 -5.602 1.00 0.00 H new ATOM 0 HA ALA A 109 4.383 -1.096 -6.548 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.086 -1.303 -8.319 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.619 0.396 -8.070 1.00 0.00 H new ATOM 0 HB3 ALA A 109 7.160 -0.208 -7.417 1.00 0.00 H new ATOM 1442 N ILE A 110 5.363 -3.187 -5.665 1.00 0.00 N ATOM 1443 CA ILE A 110 5.880 -4.413 -5.091 1.00 0.00 C ATOM 1444 C ILE A 110 5.429 -5.603 -5.927 1.00 0.00 C ATOM 1445 O ILE A 110 4.696 -5.438 -6.900 1.00 0.00 O ATOM 1446 CB ILE A 110 5.393 -4.546 -3.651 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.894 -4.834 -3.645 1.00 0.00 C ATOM 1448 CG2 ILE A 110 5.663 -3.245 -2.901 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.528 -5.597 -2.375 1.00 0.00 C ATOM 0 H ILE A 110 4.417 -3.265 -6.038 1.00 0.00 H new ATOM 0 HA ILE A 110 6.970 -4.388 -5.089 1.00 0.00 H new ATOM 0 HB ILE A 110 5.922 -5.364 -3.163 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.333 -3.901 -3.696 1.00 0.00 H new ATOM 0 HG13 ILE A 110 3.621 -5.418 -4.524 1.00 0.00 H new ATOM 0 HG21 ILE A 110 5.315 -3.339 -1.872 1.00 0.00 H new ATOM 0 HG22 ILE A 110 6.733 -3.038 -2.905 1.00 0.00 H new ATOM 0 HG23 ILE A 110 5.134 -2.427 -3.389 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.458 -5.803 -2.370 1.00 0.00 H new ATOM 0 HD12 ILE A 110 4.079 -6.537 -2.344 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.786 -4.996 -1.503 1.00 0.00 H new ATOM 1461 N SER A 111 5.868 -6.804 -5.544 1.00 0.00 N ATOM 1462 CA SER A 111 5.506 -8.012 -6.259 1.00 0.00 C ATOM 1463 C SER A 111 5.977 -9.233 -5.481 1.00 0.00 C ATOM 1464 O SER A 111 6.606 -9.100 -4.434 1.00 0.00 O ATOM 1465 CB SER A 111 6.128 -7.984 -7.652 1.00 0.00 C ATOM 1466 OG SER A 111 5.270 -8.635 -8.562 1.00 0.00 O ATOM 0 H SER A 111 6.476 -6.957 -4.739 1.00 0.00 H new ATOM 0 HA SER A 111 4.422 -8.068 -6.361 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.296 -6.954 -7.967 1.00 0.00 H new ATOM 0 HB3 SER A 111 7.101 -8.475 -7.638 1.00 0.00 H new ATOM 0 HG SER A 111 5.668 -8.616 -9.457 1.00 0.00 H new ATOM 1472 N PHE A 112 5.673 -10.426 -5.998 1.00 0.00 N ATOM 1473 CA PHE A 112 6.068 -11.661 -5.350 1.00 0.00 C ATOM 1474 C PHE A 112 6.741 -12.580 -6.360 1.00 0.00 C ATOM 1475 O PHE A 112 6.106 -13.032 -7.310 1.00 0.00 O ATOM 1476 CB PHE A 112 4.839 -12.331 -4.742 1.00 0.00 C ATOM 1477 CG PHE A 112 3.947 -11.378 -3.984 1.00 0.00 C ATOM 1478 CD1 PHE A 112 3.293 -10.342 -4.662 1.00 0.00 C ATOM 1479 CD2 PHE A 112 3.775 -11.529 -2.603 1.00 0.00 C ATOM 1480 CE1 PHE A 112 2.467 -9.457 -3.959 1.00 0.00 C ATOM 1481 CE2 PHE A 112 2.949 -10.644 -1.900 1.00 0.00 C ATOM 1482 CZ PHE A 112 2.295 -9.608 -2.577 1.00 0.00 C ATOM 0 H PHE A 112 5.153 -10.554 -6.866 1.00 0.00 H new ATOM 0 HA PHE A 112 6.780 -11.447 -4.553 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.261 -12.802 -5.537 1.00 0.00 H new ATOM 0 HB3 PHE A 112 5.163 -13.125 -4.070 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.426 -10.226 -5.727 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.279 -12.328 -2.080 1.00 0.00 H new ATOM 0 HE1 PHE A 112 1.962 -8.658 -4.482 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.816 -10.761 -0.835 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.658 -8.925 -2.034 1.00 0.00 H new ATOM 1492 N ASN A 113 8.030 -12.857 -6.151 1.00 0.00 N ATOM 1493 CA ASN A 113 8.779 -13.721 -7.042 1.00 0.00 C ATOM 1494 C ASN A 113 10.262 -13.655 -6.704 1.00 0.00 C ATOM 1495 O ASN A 113 10.839 -14.634 -6.237 1.00 0.00 O ATOM 1496 CB ASN A 113 8.535 -13.294 -8.486 1.00 0.00 C ATOM 1497 CG ASN A 113 8.661 -11.784 -8.635 1.00 0.00 C ATOM 1498 OD1 ASN A 113 9.759 -11.267 -8.825 1.00 0.00 O ATOM 1499 ND2 ASN A 113 7.531 -11.078 -8.549 1.00 0.00 N ATOM 0 H ASN A 113 8.571 -12.490 -5.368 1.00 0.00 H new ATOM 0 HA ASN A 113 8.446 -14.751 -6.919 1.00 0.00 H new ATOM 0 HB2 ASN A 113 9.251 -13.789 -9.142 1.00 0.00 H new ATOM 0 HB3 ASN A 113 7.541 -13.613 -8.801 1.00 0.00 H new ATOM 0 HD21 ASN A 113 7.556 -10.063 -8.642 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.643 -11.554 -8.390 1.00 0.00 H new TER 1506 ASN A 113