USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=29 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 Set 1.1: A 111 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 113 ASN : amide:sc= -2.59! C(o=-2.6!,f=-3!) USER MOD Set 2.1: A 53 SER OG : rot 180:sc= -0.112 USER MOD Set 2.2: A 65 THR OG1 : rot -170:sc= -0.165 USER MOD Set 3.1: A 36 GLN : amide:sc= -13.3! C(o=-15!,f=-14!) USER MOD Set 3.2: A 48 ASN : amide:sc= -1.59! C(o=-15!,f=-27!) USER MOD Set 4.1: A 37 CYS SG : rot -74:sc= -10.4! USER MOD Set 4.2: A 47 CYS SG : rot -19:sc= -20.4! USER MOD Set 5.1: A 27 GLN : amide:sc= -5.65! C(o=-15!,f=-11!) USER MOD Set 5.2: A 32 TYR OH : rot -30:sc= 0.259 USER MOD Set 5.3: A 103 ASN : amide:sc= -9.54! C(o=-15!,f=-14!) USER MOD Single : A 1 ALA N :NH3+ -100:sc= 0.0739 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -1.79! USER MOD Single : A 8 THR OG1 : rot 180:sc= -5.65! USER MOD Single : A 10 SER OG : rot -160:sc=-0.00466 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 88:sc= 0.689 USER MOD Single : A 20 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.0454) USER MOD Single : A 30 THR OG1 : rot -160:sc= -0.0417 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 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= -0.0114 X(o=-0.011,f=-0.39) USER MOD Single : A 62 SER OG : rot 18:sc= 0.632 USER MOD Single : A 64 SER OG : rot 180:sc= -0.111 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 66:sc= -1.11 USER MOD Single : A 72 SER OG : rot 56:sc= 1.1 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.404 15.616 -5.129 1.00 0.00 N ATOM 2 CA ALA A 1 2.407 14.800 -5.783 1.00 0.00 C ATOM 3 C ALA A 1 2.958 13.775 -4.802 1.00 0.00 C ATOM 4 O ALA A 1 2.953 14.004 -3.594 1.00 0.00 O ATOM 5 CB ALA A 1 3.523 15.695 -6.313 1.00 0.00 C ATOM 0 H1 ALA A 1 0.456 15.273 -5.386 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.526 15.556 -4.098 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.509 16.605 -5.433 1.00 0.00 H new ATOM 0 HA ALA A 1 1.958 14.267 -6.621 1.00 0.00 H new ATOM 0 HB1 ALA A 1 4.278 15.082 -6.805 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.110 16.406 -7.028 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.979 16.237 -5.485 1.00 0.00 H new ATOM 11 N ALA A 2 3.432 12.642 -5.324 1.00 0.00 N ATOM 12 CA ALA A 2 3.981 11.589 -4.493 1.00 0.00 C ATOM 13 C ALA A 2 5.256 12.076 -3.818 1.00 0.00 C ATOM 14 O ALA A 2 6.210 12.457 -4.492 1.00 0.00 O ATOM 15 CB ALA A 2 4.261 10.359 -5.352 1.00 0.00 C ATOM 0 H ALA A 2 3.443 12.438 -6.323 1.00 0.00 H new ATOM 0 HA ALA A 2 3.263 11.320 -3.718 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.674 9.566 -4.728 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.333 10.015 -5.809 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.976 10.616 -6.133 1.00 0.00 H new ATOM 21 N PRO A 3 5.268 12.064 -2.483 1.00 0.00 N ATOM 22 CA PRO A 3 6.390 12.489 -1.674 1.00 0.00 C ATOM 23 C PRO A 3 7.505 11.457 -1.765 1.00 0.00 C ATOM 24 O PRO A 3 7.379 10.466 -2.481 1.00 0.00 O ATOM 25 CB PRO A 3 5.838 12.575 -0.253 1.00 0.00 C ATOM 26 CG PRO A 3 4.741 11.511 -0.251 1.00 0.00 C ATOM 27 CD PRO A 3 4.163 11.623 -1.660 1.00 0.00 C ATOM 0 HA PRO A 3 6.810 13.441 -1.998 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.605 12.366 0.492 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.441 13.566 -0.033 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.142 10.516 -0.056 1.00 0.00 H new ATOM 0 HG3 PRO A 3 3.988 11.707 0.512 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.772 10.665 -2.004 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.338 12.334 -1.693 1.00 0.00 H new ATOM 35 N THR A 4 8.599 11.692 -1.037 1.00 0.00 N ATOM 36 CA THR A 4 9.727 10.781 -1.043 1.00 0.00 C ATOM 37 C THR A 4 9.670 9.878 0.181 1.00 0.00 C ATOM 38 O THR A 4 9.898 10.330 1.301 1.00 0.00 O ATOM 39 CB THR A 4 11.026 11.582 -1.064 1.00 0.00 C ATOM 40 OG1 THR A 4 11.350 11.915 -2.395 1.00 0.00 O ATOM 41 CG2 THR A 4 12.150 10.744 -0.461 1.00 0.00 C ATOM 0 H THR A 4 8.720 12.509 -0.438 1.00 0.00 H new ATOM 0 HA THR A 4 9.687 10.154 -1.933 1.00 0.00 H new ATOM 0 HB THR A 4 10.901 12.494 -0.481 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.183 12.431 -2.410 1.00 0.00 H new ATOM 0 HG21 THR A 4 13.078 11.316 -0.476 1.00 0.00 H new ATOM 0 HG22 THR A 4 11.899 10.485 0.568 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.277 9.832 -1.044 1.00 0.00 H new ATOM 49 N ALA A 5 9.364 8.597 -0.036 1.00 0.00 N ATOM 50 CA ALA A 5 9.278 7.637 1.047 1.00 0.00 C ATOM 51 C ALA A 5 10.208 6.464 0.771 1.00 0.00 C ATOM 52 O ALA A 5 10.410 6.087 -0.381 1.00 0.00 O ATOM 53 CB ALA A 5 7.836 7.162 1.190 1.00 0.00 C ATOM 0 H ALA A 5 9.172 8.207 -0.959 1.00 0.00 H new ATOM 0 HA ALA A 5 9.586 8.107 1.981 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.770 6.440 2.004 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.192 8.014 1.407 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.514 6.692 0.261 1.00 0.00 H new ATOM 59 N THR A 6 10.775 5.886 1.832 1.00 0.00 N ATOM 60 CA THR A 6 11.678 4.761 1.695 1.00 0.00 C ATOM 61 C THR A 6 10.981 3.481 2.131 1.00 0.00 C ATOM 62 O THR A 6 10.639 3.324 3.301 1.00 0.00 O ATOM 63 CB THR A 6 12.928 5.008 2.534 1.00 0.00 C ATOM 64 OG1 THR A 6 12.580 5.726 3.696 1.00 0.00 O ATOM 65 CG2 THR A 6 13.936 5.816 1.720 1.00 0.00 C ATOM 0 H THR A 6 10.619 6.186 2.794 1.00 0.00 H new ATOM 0 HA THR A 6 11.972 4.652 0.651 1.00 0.00 H new ATOM 0 HB THR A 6 13.371 4.053 2.816 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.383 5.883 4.236 1.00 0.00 H new ATOM 0 HG21 THR A 6 14.829 5.993 2.319 1.00 0.00 H new ATOM 0 HG22 THR A 6 14.206 5.262 0.821 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.494 6.771 1.438 1.00 0.00 H new ATOM 73 N VAL A 7 10.771 2.563 1.184 1.00 0.00 N ATOM 74 CA VAL A 7 10.117 1.302 1.473 1.00 0.00 C ATOM 75 C VAL A 7 11.127 0.167 1.385 1.00 0.00 C ATOM 76 O VAL A 7 12.064 0.227 0.592 1.00 0.00 O ATOM 77 CB VAL A 7 8.973 1.086 0.487 1.00 0.00 C ATOM 78 CG1 VAL A 7 8.214 -0.184 0.859 1.00 0.00 C ATOM 79 CG2 VAL A 7 8.024 2.280 0.540 1.00 0.00 C ATOM 0 H VAL A 7 11.049 2.678 0.209 1.00 0.00 H new ATOM 0 HA VAL A 7 9.709 1.322 2.483 1.00 0.00 H new ATOM 0 HB VAL A 7 9.376 0.986 -0.521 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.397 -0.339 0.155 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.892 -1.037 0.822 1.00 0.00 H new ATOM 0 HG13 VAL A 7 7.811 -0.085 1.867 1.00 0.00 H new ATOM 0 HG21 VAL A 7 7.206 2.126 -0.164 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.621 2.380 1.548 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.566 3.188 0.274 1.00 0.00 H new ATOM 89 N THR A 8 10.936 -0.871 2.203 1.00 0.00 N ATOM 90 CA THR A 8 11.830 -2.011 2.209 1.00 0.00 C ATOM 91 C THR A 8 11.709 -2.773 0.898 1.00 0.00 C ATOM 92 O THR A 8 10.881 -2.434 0.054 1.00 0.00 O ATOM 93 CB THR A 8 11.493 -2.914 3.392 1.00 0.00 C ATOM 94 OG1 THR A 8 12.686 -3.402 3.965 1.00 0.00 O ATOM 95 CG2 THR A 8 10.643 -4.086 2.912 1.00 0.00 C ATOM 0 H THR A 8 10.165 -0.937 2.868 1.00 0.00 H new ATOM 0 HA THR A 8 12.860 -1.668 2.311 1.00 0.00 H new ATOM 0 HB THR A 8 10.938 -2.344 4.137 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.471 -3.981 4.726 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.402 -4.731 3.757 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.721 -3.709 2.469 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.197 -4.656 2.167 1.00 0.00 H new ATOM 103 N PRO A 9 12.537 -3.805 0.728 1.00 0.00 N ATOM 104 CA PRO A 9 12.564 -4.644 -0.451 1.00 0.00 C ATOM 105 C PRO A 9 11.333 -5.538 -0.470 1.00 0.00 C ATOM 106 O PRO A 9 11.149 -6.364 0.422 1.00 0.00 O ATOM 107 CB PRO A 9 13.840 -5.473 -0.313 1.00 0.00 C ATOM 108 CG PRO A 9 14.003 -5.592 1.202 1.00 0.00 C ATOM 109 CD PRO A 9 13.522 -4.231 1.699 1.00 0.00 C ATOM 0 HA PRO A 9 12.556 -4.072 -1.379 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.741 -6.449 -0.787 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.695 -4.979 -0.774 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.405 -6.407 1.611 1.00 0.00 H new ATOM 0 HG3 PRO A 9 15.038 -5.783 1.484 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.087 -4.306 2.696 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.346 -3.520 1.763 1.00 0.00 H new ATOM 117 N SER A 10 10.487 -5.371 -1.489 1.00 0.00 N ATOM 118 CA SER A 10 9.280 -6.162 -1.617 1.00 0.00 C ATOM 119 C SER A 10 9.381 -7.065 -2.838 1.00 0.00 C ATOM 120 O SER A 10 8.458 -7.124 -3.647 1.00 0.00 O ATOM 121 CB SER A 10 8.074 -5.233 -1.730 1.00 0.00 C ATOM 122 OG SER A 10 8.333 -4.243 -2.699 1.00 0.00 O ATOM 0 H SER A 10 10.624 -4.690 -2.236 1.00 0.00 H new ATOM 0 HA SER A 10 9.157 -6.790 -0.735 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.187 -5.803 -2.005 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.868 -4.768 -0.766 1.00 0.00 H new ATOM 0 HG SER A 10 7.731 -3.483 -2.559 1.00 0.00 H new ATOM 128 N SER A 11 10.506 -7.771 -2.968 1.00 0.00 N ATOM 129 CA SER A 11 10.720 -8.668 -4.086 1.00 0.00 C ATOM 130 C SER A 11 11.152 -10.036 -3.577 1.00 0.00 C ATOM 131 O SER A 11 12.289 -10.208 -3.144 1.00 0.00 O ATOM 132 CB SER A 11 11.776 -8.078 -5.016 1.00 0.00 C ATOM 133 OG SER A 11 11.494 -6.715 -5.242 1.00 0.00 O ATOM 0 H SER A 11 11.281 -7.733 -2.306 1.00 0.00 H new ATOM 0 HA SER A 11 9.791 -8.788 -4.643 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.767 -8.187 -4.575 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.787 -8.620 -5.962 1.00 0.00 H new ATOM 0 HG SER A 11 12.173 -6.335 -5.838 1.00 0.00 H new ATOM 139 N GLY A 12 10.242 -11.011 -3.630 1.00 0.00 N ATOM 140 CA GLY A 12 10.538 -12.354 -3.174 1.00 0.00 C ATOM 141 C GLY A 12 10.119 -12.523 -1.721 1.00 0.00 C ATOM 142 O GLY A 12 10.697 -13.328 -0.994 1.00 0.00 O ATOM 0 H GLY A 12 9.294 -10.887 -3.986 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.016 -13.080 -3.797 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.605 -12.554 -3.278 1.00 0.00 H new ATOM 146 N LEU A 13 9.108 -11.759 -1.298 1.00 0.00 N ATOM 147 CA LEU A 13 8.616 -11.827 0.064 1.00 0.00 C ATOM 148 C LEU A 13 7.290 -12.573 0.098 1.00 0.00 C ATOM 149 O LEU A 13 6.378 -12.257 -0.662 1.00 0.00 O ATOM 150 CB LEU A 13 8.455 -10.413 0.616 1.00 0.00 C ATOM 151 CG LEU A 13 9.554 -9.518 0.052 1.00 0.00 C ATOM 152 CD1 LEU A 13 9.837 -8.381 1.029 1.00 0.00 C ATOM 153 CD2 LEU A 13 10.824 -10.340 -0.154 1.00 0.00 C ATOM 0 H LEU A 13 8.618 -11.087 -1.888 1.00 0.00 H new ATOM 0 HA LEU A 13 9.330 -12.368 0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.476 -10.016 0.349 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.507 -10.428 1.705 1.00 0.00 H new ATOM 0 HG LEU A 13 9.230 -9.104 -0.903 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.622 -7.742 0.626 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.931 -7.794 1.176 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.160 -8.794 1.984 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.610 -9.701 -0.557 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.148 -10.755 0.801 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.623 -11.152 -0.853 1.00 0.00 H new ATOM 165 N SER A 14 7.186 -13.567 0.983 1.00 0.00 N ATOM 166 CA SER A 14 5.974 -14.351 1.111 1.00 0.00 C ATOM 167 C SER A 14 5.217 -13.930 2.363 1.00 0.00 C ATOM 168 O SER A 14 5.737 -13.175 3.182 1.00 0.00 O ATOM 169 CB SER A 14 6.331 -15.833 1.168 1.00 0.00 C ATOM 170 OG SER A 14 6.440 -16.340 -0.144 1.00 0.00 O ATOM 0 H SER A 14 7.934 -13.842 1.620 1.00 0.00 H new ATOM 0 HA SER A 14 5.332 -14.179 0.247 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.271 -15.972 1.702 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.567 -16.381 1.719 1.00 0.00 H new ATOM 0 HG SER A 14 6.671 -17.292 -0.109 1.00 0.00 H new ATOM 176 N ASP A 15 3.985 -14.422 2.511 1.00 0.00 N ATOM 177 CA ASP A 15 3.165 -14.096 3.660 1.00 0.00 C ATOM 178 C ASP A 15 3.998 -14.187 4.931 1.00 0.00 C ATOM 179 O ASP A 15 4.833 -15.079 5.064 1.00 0.00 O ATOM 180 CB ASP A 15 1.976 -15.051 3.723 1.00 0.00 C ATOM 181 CG ASP A 15 2.415 -16.484 3.454 1.00 0.00 C ATOM 182 OD1 ASP A 15 3.605 -16.658 3.114 1.00 0.00 O ATOM 183 OD2 ASP A 15 1.552 -17.377 3.592 1.00 0.00 O ATOM 0 H ASP A 15 3.540 -15.050 1.842 1.00 0.00 H new ATOM 0 HA ASP A 15 2.791 -13.076 3.567 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.506 -14.989 4.704 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.226 -14.753 2.991 1.00 0.00 H new ATOM 188 N GLY A 16 3.770 -13.262 5.866 1.00 0.00 N ATOM 189 CA GLY A 16 4.503 -13.247 7.116 1.00 0.00 C ATOM 190 C GLY A 16 5.543 -12.136 7.105 1.00 0.00 C ATOM 191 O GLY A 16 5.972 -11.673 8.159 1.00 0.00 O ATOM 0 H GLY A 16 3.081 -12.516 5.773 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.814 -13.101 7.948 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.991 -14.209 7.271 1.00 0.00 H new ATOM 195 N THR A 17 5.949 -11.707 5.907 1.00 0.00 N ATOM 196 CA THR A 17 6.935 -10.654 5.769 1.00 0.00 C ATOM 197 C THR A 17 6.277 -9.298 5.978 1.00 0.00 C ATOM 198 O THR A 17 5.098 -9.123 5.676 1.00 0.00 O ATOM 199 CB THR A 17 7.576 -10.737 4.387 1.00 0.00 C ATOM 200 OG1 THR A 17 8.151 -12.013 4.212 1.00 0.00 O ATOM 201 CG2 THR A 17 8.659 -9.669 4.264 1.00 0.00 C ATOM 0 H THR A 17 5.604 -12.079 5.022 1.00 0.00 H new ATOM 0 HA THR A 17 7.712 -10.777 6.524 1.00 0.00 H new ATOM 0 HB THR A 17 6.816 -10.573 3.623 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.480 -12.627 3.849 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.117 -9.728 3.277 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.215 -8.683 4.400 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.420 -9.832 5.028 1.00 0.00 H new ATOM 209 N VAL A 18 7.044 -8.336 6.496 1.00 0.00 N ATOM 210 CA VAL A 18 6.535 -7.002 6.743 1.00 0.00 C ATOM 211 C VAL A 18 7.374 -5.983 5.985 1.00 0.00 C ATOM 212 O VAL A 18 8.583 -5.899 6.185 1.00 0.00 O ATOM 213 CB VAL A 18 6.562 -6.717 8.242 1.00 0.00 C ATOM 214 CG1 VAL A 18 8.004 -6.744 8.739 1.00 0.00 C ATOM 215 CG2 VAL A 18 5.958 -5.341 8.508 1.00 0.00 C ATOM 0 H VAL A 18 8.023 -8.466 6.751 1.00 0.00 H new ATOM 0 HA VAL A 18 5.506 -6.930 6.392 1.00 0.00 H new ATOM 0 HB VAL A 18 5.983 -7.476 8.767 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.024 -6.540 9.810 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.436 -7.726 8.548 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.584 -5.985 8.215 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.977 -5.136 9.578 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.538 -4.582 7.983 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.928 -5.321 8.153 1.00 0.00 H new ATOM 225 N VAL A 19 6.727 -5.206 5.111 1.00 0.00 N ATOM 226 CA VAL A 19 7.414 -4.199 4.329 1.00 0.00 C ATOM 227 C VAL A 19 7.520 -2.909 5.130 1.00 0.00 C ATOM 228 O VAL A 19 6.691 -2.646 5.998 1.00 0.00 O ATOM 229 CB VAL A 19 6.658 -3.965 3.025 1.00 0.00 C ATOM 230 CG1 VAL A 19 7.517 -3.129 2.081 1.00 0.00 C ATOM 231 CG2 VAL A 19 6.345 -5.309 2.372 1.00 0.00 C ATOM 0 H VAL A 19 5.724 -5.263 4.934 1.00 0.00 H new ATOM 0 HA VAL A 19 8.422 -4.541 4.093 1.00 0.00 H new ATOM 0 HB VAL A 19 5.728 -3.436 3.234 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.977 -2.962 1.149 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.742 -2.170 2.547 1.00 0.00 H new ATOM 0 HG13 VAL A 19 8.447 -3.657 1.871 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.805 -5.144 1.440 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.275 -5.838 2.163 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.731 -5.907 3.046 1.00 0.00 H new ATOM 241 N LYS A 20 8.543 -2.103 4.836 1.00 0.00 N ATOM 242 CA LYS A 20 8.749 -0.847 5.529 1.00 0.00 C ATOM 243 C LYS A 20 8.365 0.314 4.623 1.00 0.00 C ATOM 244 O LYS A 20 8.596 0.266 3.417 1.00 0.00 O ATOM 245 CB LYS A 20 10.209 -0.738 5.959 1.00 0.00 C ATOM 246 CG LYS A 20 10.280 -0.194 7.383 1.00 0.00 C ATOM 247 CD LYS A 20 10.483 1.318 7.341 1.00 0.00 C ATOM 248 CE LYS A 20 11.601 1.708 8.304 1.00 0.00 C ATOM 249 NZ LYS A 20 11.280 2.960 9.006 1.00 0.00 N ATOM 0 H LYS A 20 9.239 -2.306 4.119 1.00 0.00 H new ATOM 0 HA LYS A 20 8.118 -0.811 6.417 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.689 -1.715 5.907 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.751 -0.081 5.280 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.363 -0.434 7.921 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.100 -0.667 7.924 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.734 1.634 6.328 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.559 1.828 7.614 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.756 0.910 9.030 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.535 1.824 7.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.159 3.474 9.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.671 3.549 8.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.783 2.743 9.894 1.00 0.00 H new ATOM 263 N VAL A 21 7.776 1.360 5.208 1.00 0.00 N ATOM 264 CA VAL A 21 7.364 2.526 4.453 1.00 0.00 C ATOM 265 C VAL A 21 7.653 3.787 5.255 1.00 0.00 C ATOM 266 O VAL A 21 7.019 4.033 6.279 1.00 0.00 O ATOM 267 CB VAL A 21 5.876 2.421 4.128 1.00 0.00 C ATOM 268 CG1 VAL A 21 5.694 2.263 2.622 1.00 0.00 C ATOM 269 CG2 VAL A 21 5.285 1.208 4.842 1.00 0.00 C ATOM 0 H VAL A 21 7.577 1.415 6.207 1.00 0.00 H new ATOM 0 HA VAL A 21 7.924 2.576 3.519 1.00 0.00 H new ATOM 0 HB VAL A 21 5.366 3.324 4.462 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.632 2.188 2.390 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.117 3.128 2.112 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.203 1.359 2.287 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.223 1.132 4.611 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.795 0.305 4.507 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.415 1.320 5.918 1.00 0.00 H new ATOM 279 N ALA A 22 8.614 4.586 4.787 1.00 0.00 N ATOM 280 CA ALA A 22 8.983 5.815 5.462 1.00 0.00 C ATOM 281 C ALA A 22 8.866 6.987 4.498 1.00 0.00 C ATOM 282 O ALA A 22 9.563 7.034 3.487 1.00 0.00 O ATOM 283 CB ALA A 22 10.407 5.694 5.996 1.00 0.00 C ATOM 0 H ALA A 22 9.148 4.396 3.939 1.00 0.00 H new ATOM 0 HA ALA A 22 8.309 5.991 6.300 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.685 6.618 6.504 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.463 4.863 6.699 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.092 5.515 5.167 1.00 0.00 H new ATOM 289 N GLY A 23 7.980 7.936 4.812 1.00 0.00 N ATOM 290 CA GLY A 23 7.780 9.099 3.970 1.00 0.00 C ATOM 291 C GLY A 23 8.821 10.164 4.287 1.00 0.00 C ATOM 292 O GLY A 23 9.228 10.315 5.437 1.00 0.00 O ATOM 0 H GLY A 23 7.393 7.914 5.646 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.850 8.813 2.920 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.779 9.501 4.125 1.00 0.00 H new ATOM 296 N ALA A 24 9.250 10.904 3.262 1.00 0.00 N ATOM 297 CA ALA A 24 10.240 11.948 3.434 1.00 0.00 C ATOM 298 C ALA A 24 9.930 13.110 2.502 1.00 0.00 C ATOM 299 O ALA A 24 10.018 12.971 1.284 1.00 0.00 O ATOM 300 CB ALA A 24 11.629 11.383 3.152 1.00 0.00 C ATOM 0 H ALA A 24 8.920 10.792 2.303 1.00 0.00 H new ATOM 0 HA ALA A 24 10.214 12.314 4.460 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.374 12.168 3.281 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.837 10.567 3.844 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.669 11.010 2.129 1.00 0.00 H new ATOM 306 N GLY A 25 9.567 14.260 3.076 1.00 0.00 N ATOM 307 CA GLY A 25 9.247 15.435 2.290 1.00 0.00 C ATOM 308 C GLY A 25 7.743 15.530 2.071 1.00 0.00 C ATOM 309 O GLY A 25 7.287 16.241 1.179 1.00 0.00 O ATOM 0 H GLY A 25 9.490 14.394 4.084 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.605 16.330 2.799 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.759 15.389 1.329 1.00 0.00 H new ATOM 313 N LEU A 26 6.973 14.810 2.890 1.00 0.00 N ATOM 314 CA LEU A 26 5.528 14.816 2.783 1.00 0.00 C ATOM 315 C LEU A 26 4.949 15.907 3.672 1.00 0.00 C ATOM 316 O LEU A 26 5.667 16.508 4.468 1.00 0.00 O ATOM 317 CB LEU A 26 4.983 13.447 3.182 1.00 0.00 C ATOM 318 CG LEU A 26 6.135 12.452 3.287 1.00 0.00 C ATOM 319 CD1 LEU A 26 6.793 12.578 4.658 1.00 0.00 C ATOM 320 CD2 LEU A 26 5.601 11.034 3.106 1.00 0.00 C ATOM 0 H LEU A 26 7.336 14.216 3.635 1.00 0.00 H new ATOM 0 HA LEU A 26 5.237 15.022 1.753 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.460 13.516 4.136 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.258 13.103 2.445 1.00 0.00 H new ATOM 0 HG LEU A 26 6.870 12.664 2.511 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.616 11.867 4.733 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.175 13.591 4.786 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.058 12.366 5.435 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.424 10.323 3.181 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.865 10.821 3.881 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.132 10.944 2.126 1.00 0.00 H new ATOM 332 N GLN A 27 3.645 16.161 3.536 1.00 0.00 N ATOM 333 CA GLN A 27 2.978 17.177 4.325 1.00 0.00 C ATOM 334 C GLN A 27 3.274 16.960 5.803 1.00 0.00 C ATOM 335 O GLN A 27 2.946 15.914 6.357 1.00 0.00 O ATOM 336 CB GLN A 27 1.476 17.119 4.061 1.00 0.00 C ATOM 337 CG GLN A 27 1.187 17.634 2.654 1.00 0.00 C ATOM 338 CD GLN A 27 -0.245 17.318 2.245 1.00 0.00 C ATOM 339 OE1 GLN A 27 -1.076 18.218 2.141 1.00 0.00 O ATOM 340 NE2 GLN A 27 -0.532 16.035 2.013 1.00 0.00 N ATOM 0 H GLN A 27 3.036 15.670 2.882 1.00 0.00 H new ATOM 0 HA GLN A 27 3.347 18.163 4.042 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.117 16.095 4.166 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.943 17.721 4.797 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.352 18.711 2.615 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.881 17.180 1.946 1.00 0.00 H new ATOM 0 HE21 GLN A 27 0.193 15.324 2.113 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.476 15.766 1.736 1.00 0.00 H new ATOM 349 N ALA A 28 3.897 17.954 6.440 1.00 0.00 N ATOM 350 CA ALA A 28 4.235 17.868 7.846 1.00 0.00 C ATOM 351 C ALA A 28 2.975 18.014 8.688 1.00 0.00 C ATOM 352 O ALA A 28 2.195 18.941 8.485 1.00 0.00 O ATOM 353 CB ALA A 28 5.247 18.956 8.193 1.00 0.00 C ATOM 0 H ALA A 28 4.175 18.828 5.994 1.00 0.00 H new ATOM 0 HA ALA A 28 4.680 16.896 8.059 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.502 18.892 9.251 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.147 18.820 7.594 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.816 19.935 7.982 1.00 0.00 H new ATOM 359 N GLY A 29 2.777 17.095 9.636 1.00 0.00 N ATOM 360 CA GLY A 29 1.614 17.130 10.499 1.00 0.00 C ATOM 361 C GLY A 29 0.392 16.605 9.759 1.00 0.00 C ATOM 362 O GLY A 29 -0.724 16.678 10.269 1.00 0.00 O ATOM 0 H GLY A 29 3.414 16.319 9.819 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.795 16.528 11.389 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.433 18.151 10.836 1.00 0.00 H new ATOM 366 N THR A 30 0.604 16.076 8.552 1.00 0.00 N ATOM 367 CA THR A 30 -0.480 15.543 7.753 1.00 0.00 C ATOM 368 C THR A 30 -0.600 14.042 7.974 1.00 0.00 C ATOM 369 O THR A 30 0.406 13.337 8.021 1.00 0.00 O ATOM 370 CB THR A 30 -0.225 15.853 6.280 1.00 0.00 C ATOM 371 OG1 THR A 30 -1.138 16.834 5.842 1.00 0.00 O ATOM 372 CG2 THR A 30 -0.407 14.584 5.454 1.00 0.00 C ATOM 0 H THR A 30 1.522 16.009 8.113 1.00 0.00 H new ATOM 0 HA THR A 30 -1.419 16.009 8.054 1.00 0.00 H new ATOM 0 HB THR A 30 0.793 16.223 6.157 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.200 16.810 4.864 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.225 14.805 4.402 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.298 13.825 5.793 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.425 14.213 5.576 1.00 0.00 H new ATOM 380 N ALA A 31 -1.835 13.555 8.111 1.00 0.00 N ATOM 381 CA ALA A 31 -2.081 12.144 8.328 1.00 0.00 C ATOM 382 C ALA A 31 -2.035 11.403 6.999 1.00 0.00 C ATOM 383 O ALA A 31 -2.317 11.982 5.953 1.00 0.00 O ATOM 384 CB ALA A 31 -3.438 11.962 9.002 1.00 0.00 C ATOM 0 H ALA A 31 -2.678 14.127 8.074 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.310 11.732 8.979 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.624 10.900 9.165 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.441 12.483 9.960 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.220 12.373 8.363 1.00 0.00 H new ATOM 390 N TYR A 32 -1.677 10.117 7.042 1.00 0.00 N ATOM 391 CA TYR A 32 -1.595 9.308 5.843 1.00 0.00 C ATOM 392 C TYR A 32 -2.184 7.930 6.109 1.00 0.00 C ATOM 393 O TYR A 32 -1.990 7.366 7.184 1.00 0.00 O ATOM 394 CB TYR A 32 -0.138 9.197 5.405 1.00 0.00 C ATOM 395 CG TYR A 32 0.408 10.469 4.800 1.00 0.00 C ATOM 396 CD1 TYR A 32 -0.211 11.031 3.676 1.00 0.00 C ATOM 397 CD2 TYR A 32 1.532 11.086 5.362 1.00 0.00 C ATOM 398 CE1 TYR A 32 0.294 12.210 3.116 1.00 0.00 C ATOM 399 CE2 TYR A 32 2.037 12.265 4.801 1.00 0.00 C ATOM 400 CZ TYR A 32 1.418 12.827 3.678 1.00 0.00 C ATOM 401 OH TYR A 32 1.910 13.976 3.132 1.00 0.00 O ATOM 0 H TYR A 32 -1.440 9.621 7.901 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.167 9.778 5.043 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.472 8.922 6.266 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.046 8.390 4.678 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.078 10.555 3.242 1.00 0.00 H new ATOM 0 HD2 TYR A 32 2.009 10.652 6.228 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.184 12.644 2.250 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.904 12.741 5.234 1.00 0.00 H new ATOM 0 HH TYR A 32 1.728 13.984 2.169 1.00 0.00 H new ATOM 411 N ASP A 33 -2.905 7.387 5.126 1.00 0.00 N ATOM 412 CA ASP A 33 -3.518 6.080 5.259 1.00 0.00 C ATOM 413 C ASP A 33 -2.747 5.063 4.431 1.00 0.00 C ATOM 414 O ASP A 33 -2.734 5.140 3.204 1.00 0.00 O ATOM 415 CB ASP A 33 -4.974 6.154 4.806 1.00 0.00 C ATOM 416 CG ASP A 33 -5.886 6.524 5.967 1.00 0.00 C ATOM 417 OD1 ASP A 33 -5.574 6.086 7.096 1.00 0.00 O ATOM 418 OD2 ASP A 33 -6.877 7.239 5.705 1.00 0.00 O ATOM 0 H ASP A 33 -3.074 7.841 4.228 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.491 5.765 6.302 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.074 6.892 4.010 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.279 5.194 4.391 1.00 0.00 H new ATOM 423 N VAL A 34 -2.101 4.108 5.105 1.00 0.00 N ATOM 424 CA VAL A 34 -1.332 3.082 4.430 1.00 0.00 C ATOM 425 C VAL A 34 -2.126 1.784 4.392 1.00 0.00 C ATOM 426 O VAL A 34 -2.892 1.496 5.308 1.00 0.00 O ATOM 427 CB VAL A 34 -0.004 2.883 5.155 1.00 0.00 C ATOM 428 CG1 VAL A 34 1.130 2.832 4.136 1.00 0.00 C ATOM 429 CG2 VAL A 34 0.228 4.044 6.117 1.00 0.00 C ATOM 0 H VAL A 34 -2.101 4.032 6.122 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.128 3.390 3.405 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.032 1.948 5.714 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.078 2.690 4.654 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.964 2.003 3.448 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.159 3.767 3.576 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.176 3.903 6.636 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.256 4.980 5.558 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.582 4.080 6.846 1.00 0.00 H new ATOM 439 N GLY A 35 -1.942 0.999 3.328 1.00 0.00 N ATOM 440 CA GLY A 35 -2.642 -0.261 3.181 1.00 0.00 C ATOM 441 C GLY A 35 -2.117 -1.019 1.970 1.00 0.00 C ATOM 442 O GLY A 35 -1.385 -0.462 1.155 1.00 0.00 O ATOM 0 H GLY A 35 -1.311 1.222 2.559 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.513 -0.864 4.080 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.711 -0.080 3.070 1.00 0.00 H new ATOM 446 N GLN A 36 -2.494 -2.294 1.853 1.00 0.00 N ATOM 447 CA GLN A 36 -2.060 -3.121 0.745 1.00 0.00 C ATOM 448 C GLN A 36 -3.247 -3.453 -0.148 1.00 0.00 C ATOM 449 O GLN A 36 -4.156 -4.169 0.265 1.00 0.00 O ATOM 450 CB GLN A 36 -1.416 -4.395 1.285 1.00 0.00 C ATOM 451 CG GLN A 36 -1.419 -5.467 0.199 1.00 0.00 C ATOM 452 CD GLN A 36 -1.032 -6.823 0.773 1.00 0.00 C ATOM 453 OE1 GLN A 36 -1.751 -7.375 1.604 1.00 0.00 O ATOM 454 NE2 GLN A 36 0.107 -7.358 0.329 1.00 0.00 N ATOM 0 H GLN A 36 -3.102 -2.770 2.520 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.324 -2.581 0.150 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.395 -4.191 1.606 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.961 -4.748 2.161 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.408 -5.528 -0.254 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.722 -5.190 -0.593 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.669 -6.860 -0.362 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.416 -8.265 0.680 1.00 0.00 H new ATOM 463 N CYS A 37 -3.235 -2.931 -1.377 1.00 0.00 N ATOM 464 CA CYS A 37 -4.307 -3.173 -2.322 1.00 0.00 C ATOM 465 C CYS A 37 -3.782 -3.984 -3.498 1.00 0.00 C ATOM 466 O CYS A 37 -2.657 -3.774 -3.946 1.00 0.00 O ATOM 467 CB CYS A 37 -4.878 -1.840 -2.795 1.00 0.00 C ATOM 468 SG CYS A 37 -5.271 -0.690 -1.454 1.00 0.00 S ATOM 0 H CYS A 37 -2.487 -2.336 -1.734 1.00 0.00 H new ATOM 0 HA CYS A 37 -5.102 -3.742 -1.840 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -4.161 -1.367 -3.467 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.782 -2.029 -3.375 1.00 0.00 H new ATOM 0 HG CYS A 37 -6.352 -1.083 -0.848 1.00 0.00 H new ATOM 473 N ALA A 38 -4.601 -4.912 -3.999 1.00 0.00 N ATOM 474 CA ALA A 38 -4.216 -5.748 -5.117 1.00 0.00 C ATOM 475 C ALA A 38 -5.209 -5.574 -6.257 1.00 0.00 C ATOM 476 O ALA A 38 -6.416 -5.681 -6.052 1.00 0.00 O ATOM 477 CB ALA A 38 -4.159 -7.205 -4.666 1.00 0.00 C ATOM 0 H ALA A 38 -5.538 -5.097 -3.640 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.229 -5.453 -5.474 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.869 -7.835 -5.507 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.427 -7.310 -3.865 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.140 -7.512 -4.303 1.00 0.00 H new ATOM 483 N TRP A 39 -4.700 -5.306 -7.462 1.00 0.00 N ATOM 484 CA TRP A 39 -5.547 -5.122 -8.623 1.00 0.00 C ATOM 485 C TRP A 39 -6.284 -6.415 -8.937 1.00 0.00 C ATOM 486 O TRP A 39 -5.668 -7.473 -9.045 1.00 0.00 O ATOM 487 CB TRP A 39 -4.694 -4.683 -9.809 1.00 0.00 C ATOM 488 CG TRP A 39 -5.105 -5.257 -11.127 1.00 0.00 C ATOM 489 CD1 TRP A 39 -6.380 -5.422 -11.542 1.00 0.00 C ATOM 490 CD2 TRP A 39 -4.265 -5.748 -12.215 1.00 0.00 C ATOM 491 NE1 TRP A 39 -6.386 -5.978 -12.804 1.00 0.00 N ATOM 492 CE2 TRP A 39 -5.105 -6.200 -13.268 1.00 0.00 C ATOM 493 CE3 TRP A 39 -2.878 -5.857 -12.421 1.00 0.00 C ATOM 494 CZ2 TRP A 39 -4.600 -6.731 -14.458 1.00 0.00 C ATOM 495 CZ3 TRP A 39 -2.360 -6.389 -13.611 1.00 0.00 C ATOM 496 CH2 TRP A 39 -3.216 -6.826 -14.629 1.00 0.00 C ATOM 0 H TRP A 39 -3.702 -5.213 -7.650 1.00 0.00 H new ATOM 0 HA TRP A 39 -6.287 -4.348 -8.418 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -4.725 -3.596 -9.877 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.658 -4.961 -9.615 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -7.259 -5.159 -10.973 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -7.232 -6.198 -13.329 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -2.200 -5.525 -11.649 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.271 -7.064 -15.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.291 -6.462 -13.743 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -2.809 -7.235 -15.542 1.00 0.00 H new ATOM 507 N VAL A 40 -7.608 -6.328 -9.085 1.00 0.00 N ATOM 508 CA VAL A 40 -8.422 -7.489 -9.386 1.00 0.00 C ATOM 509 C VAL A 40 -8.945 -7.394 -10.812 1.00 0.00 C ATOM 510 O VAL A 40 -8.925 -8.378 -11.549 1.00 0.00 O ATOM 511 CB VAL A 40 -9.576 -7.571 -8.391 1.00 0.00 C ATOM 512 CG1 VAL A 40 -9.041 -7.987 -7.023 1.00 0.00 C ATOM 513 CG2 VAL A 40 -10.250 -6.207 -8.279 1.00 0.00 C ATOM 0 H VAL A 40 -8.133 -5.458 -8.999 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.820 -8.394 -9.300 1.00 0.00 H new ATOM 0 HB VAL A 40 -10.301 -8.308 -8.737 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.865 -8.046 -6.312 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -8.560 -8.962 -7.102 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.315 -7.251 -6.677 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.074 -6.266 -7.568 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.525 -5.470 -7.934 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.633 -5.909 -9.255 1.00 0.00 H new ATOM 523 N ASP A 41 -9.415 -6.207 -11.200 1.00 0.00 N ATOM 524 CA ASP A 41 -9.940 -5.991 -12.534 1.00 0.00 C ATOM 525 C ASP A 41 -9.517 -4.619 -13.038 1.00 0.00 C ATOM 526 O ASP A 41 -9.160 -3.749 -12.248 1.00 0.00 O ATOM 527 CB ASP A 41 -11.461 -6.113 -12.506 1.00 0.00 C ATOM 528 CG ASP A 41 -11.925 -7.320 -13.308 1.00 0.00 C ATOM 529 OD1 ASP A 41 -12.108 -7.151 -14.533 1.00 0.00 O ATOM 530 OD2 ASP A 41 -12.088 -8.389 -12.681 1.00 0.00 O ATOM 0 H ASP A 41 -9.439 -5.382 -10.601 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.541 -6.744 -13.214 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.803 -6.203 -11.475 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.910 -5.207 -12.913 1.00 0.00 H new ATOM 535 N THR A 42 -9.558 -4.427 -14.359 1.00 0.00 N ATOM 536 CA THR A 42 -9.180 -3.162 -14.956 1.00 0.00 C ATOM 537 C THR A 42 -10.000 -2.034 -14.346 1.00 0.00 C ATOM 538 O THR A 42 -11.213 -1.972 -14.535 1.00 0.00 O ATOM 539 CB THR A 42 -9.393 -3.229 -16.465 1.00 0.00 C ATOM 540 OG1 THR A 42 -8.427 -4.083 -17.038 1.00 0.00 O ATOM 541 CG2 THR A 42 -9.254 -1.832 -17.062 1.00 0.00 C ATOM 0 H THR A 42 -9.851 -5.138 -15.029 1.00 0.00 H new ATOM 0 HA THR A 42 -8.126 -2.965 -14.758 1.00 0.00 H new ATOM 0 HB THR A 42 -10.391 -3.615 -16.674 1.00 0.00 H new ATOM 0 HG1 THR A 42 -8.564 -4.128 -18.007 1.00 0.00 H new ATOM 0 HG21 THR A 42 -9.406 -1.880 -18.140 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.000 -1.171 -16.619 1.00 0.00 H new ATOM 0 HG23 THR A 42 -8.257 -1.445 -16.853 1.00 0.00 H new ATOM 549 N GLY A 43 -9.334 -1.140 -13.611 1.00 0.00 N ATOM 550 CA GLY A 43 -10.007 -0.022 -12.980 1.00 0.00 C ATOM 551 C GLY A 43 -10.689 -0.474 -11.696 1.00 0.00 C ATOM 552 O GLY A 43 -11.436 0.287 -11.086 1.00 0.00 O ATOM 0 H GLY A 43 -8.329 -1.176 -13.443 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.288 0.767 -12.760 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.744 0.400 -13.663 1.00 0.00 H new ATOM 556 N VAL A 44 -10.428 -1.718 -11.286 1.00 0.00 N ATOM 557 CA VAL A 44 -11.016 -2.265 -10.080 1.00 0.00 C ATOM 558 C VAL A 44 -9.930 -2.889 -9.216 1.00 0.00 C ATOM 559 O VAL A 44 -9.384 -3.935 -9.561 1.00 0.00 O ATOM 560 CB VAL A 44 -12.072 -3.300 -10.454 1.00 0.00 C ATOM 561 CG1 VAL A 44 -12.706 -3.862 -9.185 1.00 0.00 C ATOM 562 CG2 VAL A 44 -13.148 -2.642 -11.312 1.00 0.00 C ATOM 0 H VAL A 44 -9.809 -2.361 -11.780 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.494 -1.469 -9.509 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.605 -4.109 -11.015 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -13.461 -4.602 -9.452 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.937 -4.333 -8.572 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -13.173 -3.053 -8.623 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -13.903 -3.382 -11.579 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -13.616 -1.832 -10.752 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -12.695 -2.241 -12.219 1.00 0.00 H new ATOM 572 N LEU A 45 -9.617 -2.245 -8.089 1.00 0.00 N ATOM 573 CA LEU A 45 -8.600 -2.739 -7.182 1.00 0.00 C ATOM 574 C LEU A 45 -9.221 -3.049 -5.828 1.00 0.00 C ATOM 575 O LEU A 45 -10.128 -2.347 -5.383 1.00 0.00 O ATOM 576 CB LEU A 45 -7.493 -1.698 -7.044 1.00 0.00 C ATOM 577 CG LEU A 45 -6.916 -1.754 -5.632 1.00 0.00 C ATOM 578 CD1 LEU A 45 -5.955 -2.934 -5.521 1.00 0.00 C ATOM 579 CD2 LEU A 45 -6.167 -0.458 -5.337 1.00 0.00 C ATOM 0 H LEU A 45 -10.061 -1.377 -7.789 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.169 -3.658 -7.580 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.708 -1.886 -7.777 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.887 -0.703 -7.248 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.726 -1.877 -4.913 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.543 -2.974 -4.513 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.490 -3.860 -5.731 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.145 -2.812 -6.240 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.755 -0.497 -4.329 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.357 -0.334 -6.056 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.854 0.385 -5.416 1.00 0.00 H new ATOM 591 N ALA A 46 -8.731 -4.103 -5.171 1.00 0.00 N ATOM 592 CA ALA A 46 -9.240 -4.500 -3.874 1.00 0.00 C ATOM 593 C ALA A 46 -8.241 -4.120 -2.790 1.00 0.00 C ATOM 594 O ALA A 46 -7.033 -4.198 -3.002 1.00 0.00 O ATOM 595 CB ALA A 46 -9.498 -6.004 -3.868 1.00 0.00 C ATOM 0 H ALA A 46 -7.979 -4.694 -5.526 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.178 -3.983 -3.673 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.881 -6.304 -2.892 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.230 -6.251 -4.637 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.567 -6.534 -4.071 1.00 0.00 H new ATOM 601 N CYS A 47 -8.748 -3.707 -1.627 1.00 0.00 N ATOM 602 CA CYS A 47 -7.901 -3.317 -0.518 1.00 0.00 C ATOM 603 C CYS A 47 -8.006 -4.348 0.597 1.00 0.00 C ATOM 604 O CYS A 47 -9.026 -5.020 0.730 1.00 0.00 O ATOM 605 CB CYS A 47 -8.319 -1.937 -0.019 1.00 0.00 C ATOM 606 SG CYS A 47 -7.637 -0.568 -0.987 1.00 0.00 S ATOM 0 H CYS A 47 -9.748 -3.637 -1.436 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.863 -3.270 -0.847 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.407 -1.871 -0.032 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -8.005 -1.827 1.019 1.00 0.00 H new ATOM 0 HG CYS A 47 -6.616 -0.988 -1.673 1.00 0.00 H new ATOM 611 N ASN A 48 -6.946 -4.472 1.400 1.00 0.00 N ATOM 612 CA ASN A 48 -6.927 -5.419 2.497 1.00 0.00 C ATOM 613 C ASN A 48 -6.931 -4.676 3.825 1.00 0.00 C ATOM 614 O ASN A 48 -5.930 -4.071 4.203 1.00 0.00 O ATOM 615 CB ASN A 48 -5.692 -6.308 2.378 1.00 0.00 C ATOM 616 CG ASN A 48 -5.638 -7.317 3.516 1.00 0.00 C ATOM 617 OD1 ASN A 48 -6.606 -7.472 4.258 1.00 0.00 O ATOM 618 ND2 ASN A 48 -4.502 -8.006 3.652 1.00 0.00 N ATOM 0 H ASN A 48 -6.092 -3.923 1.303 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.817 -6.046 2.455 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.707 -6.832 1.422 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.793 -5.692 2.390 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.410 -8.697 4.397 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.726 -7.842 3.011 1.00 0.00 H new ATOM 625 N PRO A 49 -8.061 -4.722 4.533 1.00 0.00 N ATOM 626 CA PRO A 49 -8.248 -4.078 5.816 1.00 0.00 C ATOM 627 C PRO A 49 -7.465 -4.830 6.883 1.00 0.00 C ATOM 628 O PRO A 49 -7.474 -4.444 8.050 1.00 0.00 O ATOM 629 CB PRO A 49 -9.750 -4.159 6.080 1.00 0.00 C ATOM 630 CG PRO A 49 -10.152 -5.443 5.355 1.00 0.00 C ATOM 631 CD PRO A 49 -9.257 -5.424 4.118 1.00 0.00 C ATOM 0 HA PRO A 49 -7.895 -3.047 5.829 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -9.971 -4.210 7.146 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.277 -3.290 5.686 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.976 -6.327 5.969 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.209 -5.444 5.090 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.025 -6.435 3.783 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.744 -4.916 3.286 1.00 0.00 H new ATOM 639 N ALA A 50 -6.787 -5.908 6.480 1.00 0.00 N ATOM 640 CA ALA A 50 -6.007 -6.708 7.402 1.00 0.00 C ATOM 641 C ALA A 50 -4.568 -6.213 7.424 1.00 0.00 C ATOM 642 O ALA A 50 -3.785 -6.611 8.284 1.00 0.00 O ATOM 643 CB ALA A 50 -6.068 -8.173 6.979 1.00 0.00 C ATOM 0 H ALA A 50 -6.769 -6.240 5.516 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.418 -6.616 8.408 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.481 -8.776 7.672 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.104 -8.512 6.990 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.662 -8.278 5.973 1.00 0.00 H new ATOM 649 N ASP A 51 -4.220 -5.341 6.475 1.00 0.00 N ATOM 650 CA ASP A 51 -2.879 -4.798 6.390 1.00 0.00 C ATOM 651 C ASP A 51 -2.944 -3.281 6.282 1.00 0.00 C ATOM 652 O ASP A 51 -1.986 -2.647 5.847 1.00 0.00 O ATOM 653 CB ASP A 51 -2.165 -5.396 5.182 1.00 0.00 C ATOM 654 CG ASP A 51 -1.946 -6.891 5.365 1.00 0.00 C ATOM 655 OD1 ASP A 51 -2.036 -7.339 6.529 1.00 0.00 O ATOM 656 OD2 ASP A 51 -1.694 -7.558 4.338 1.00 0.00 O ATOM 0 H ASP A 51 -4.858 -5.000 5.756 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.320 -5.055 7.290 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.754 -5.218 4.282 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.206 -4.899 5.039 1.00 0.00 H new ATOM 661 N PHE A 52 -4.078 -2.699 6.680 1.00 0.00 N ATOM 662 CA PHE A 52 -4.259 -1.263 6.624 1.00 0.00 C ATOM 663 C PHE A 52 -3.657 -0.618 7.865 1.00 0.00 C ATOM 664 O PHE A 52 -4.207 -0.739 8.958 1.00 0.00 O ATOM 665 CB PHE A 52 -5.747 -0.942 6.515 1.00 0.00 C ATOM 666 CG PHE A 52 -6.090 -0.068 5.333 1.00 0.00 C ATOM 667 CD1 PHE A 52 -5.621 1.249 5.277 1.00 0.00 C ATOM 668 CD2 PHE A 52 -6.880 -0.575 4.294 1.00 0.00 C ATOM 669 CE1 PHE A 52 -5.940 2.060 4.181 1.00 0.00 C ATOM 670 CE2 PHE A 52 -7.200 0.236 3.198 1.00 0.00 C ATOM 671 CZ PHE A 52 -6.730 1.554 3.142 1.00 0.00 C ATOM 0 H PHE A 52 -4.882 -3.210 7.044 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.750 -0.862 5.748 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.307 -1.874 6.442 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.071 -0.446 7.430 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.013 1.640 6.079 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.243 -1.591 4.338 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.577 3.076 4.137 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.809 -0.155 2.396 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.977 2.180 2.297 1.00 0.00 H new ATOM 681 N SER A 53 -2.525 0.068 7.694 1.00 0.00 N ATOM 682 CA SER A 53 -1.857 0.727 8.799 1.00 0.00 C ATOM 683 C SER A 53 -2.160 2.218 8.769 1.00 0.00 C ATOM 684 O SER A 53 -2.774 2.711 7.826 1.00 0.00 O ATOM 685 CB SER A 53 -0.355 0.477 8.706 1.00 0.00 C ATOM 686 OG SER A 53 0.271 0.939 9.882 1.00 0.00 O ATOM 0 H SER A 53 -2.057 0.177 6.794 1.00 0.00 H new ATOM 0 HA SER A 53 -2.221 0.322 9.743 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.160 -0.587 8.571 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.057 0.989 7.836 1.00 0.00 H new ATOM 0 HG SER A 53 1.236 0.777 9.824 1.00 0.00 H new ATOM 692 N SER A 54 -1.724 2.937 9.806 1.00 0.00 N ATOM 693 CA SER A 54 -1.948 4.366 9.892 1.00 0.00 C ATOM 694 C SER A 54 -0.768 5.034 10.583 1.00 0.00 C ATOM 695 O SER A 54 -0.122 4.429 11.436 1.00 0.00 O ATOM 696 CB SER A 54 -3.243 4.633 10.655 1.00 0.00 C ATOM 697 OG SER A 54 -2.979 4.641 12.040 1.00 0.00 O ATOM 0 H SER A 54 -1.213 2.543 10.596 1.00 0.00 H new ATOM 0 HA SER A 54 -2.040 4.783 8.889 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.667 5.589 10.349 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.981 3.867 10.419 1.00 0.00 H new ATOM 0 HG SER A 54 -3.810 4.814 12.530 1.00 0.00 H new ATOM 703 N VAL A 55 -0.488 6.286 10.213 1.00 0.00 N ATOM 704 CA VAL A 55 0.610 7.029 10.798 1.00 0.00 C ATOM 705 C VAL A 55 0.488 8.501 10.431 1.00 0.00 C ATOM 706 O VAL A 55 -0.189 8.848 9.465 1.00 0.00 O ATOM 707 CB VAL A 55 1.933 6.455 10.301 1.00 0.00 C ATOM 708 CG1 VAL A 55 1.917 6.383 8.777 1.00 0.00 C ATOM 709 CG2 VAL A 55 3.080 7.354 10.755 1.00 0.00 C ATOM 0 H VAL A 55 -1.014 6.801 9.507 1.00 0.00 H new ATOM 0 HA VAL A 55 0.577 6.942 11.884 1.00 0.00 H new ATOM 0 HB VAL A 55 2.071 5.454 10.710 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.862 5.973 8.422 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.098 5.741 8.452 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.779 7.383 8.367 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.026 6.944 10.400 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.942 8.355 10.346 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.093 7.406 11.844 1.00 0.00 H new ATOM 719 N THR A 56 1.147 9.368 11.203 1.00 0.00 N ATOM 720 CA THR A 56 1.107 10.794 10.951 1.00 0.00 C ATOM 721 C THR A 56 2.523 11.348 10.880 1.00 0.00 C ATOM 722 O THR A 56 3.372 10.996 11.697 1.00 0.00 O ATOM 723 CB THR A 56 0.313 11.483 12.057 1.00 0.00 C ATOM 724 OG1 THR A 56 -0.976 10.915 12.133 1.00 0.00 O ATOM 725 CG2 THR A 56 0.194 12.973 11.746 1.00 0.00 C ATOM 0 H THR A 56 1.713 9.098 12.007 1.00 0.00 H new ATOM 0 HA THR A 56 0.617 10.983 9.996 1.00 0.00 H new ATOM 0 HB THR A 56 0.826 11.350 13.009 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.486 11.356 12.844 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.373 13.465 12.536 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.190 13.413 11.686 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.319 13.106 10.794 1.00 0.00 H new ATOM 733 N ALA A 57 2.776 12.218 9.900 1.00 0.00 N ATOM 734 CA ALA A 57 4.085 12.815 9.726 1.00 0.00 C ATOM 735 C ALA A 57 4.327 13.853 10.813 1.00 0.00 C ATOM 736 O ALA A 57 3.409 14.571 11.203 1.00 0.00 O ATOM 737 CB ALA A 57 4.173 13.451 8.342 1.00 0.00 C ATOM 0 H ALA A 57 2.082 12.521 9.216 1.00 0.00 H new ATOM 0 HA ALA A 57 4.854 12.046 9.808 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.157 13.900 8.210 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.018 12.687 7.580 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.407 14.220 8.246 1.00 0.00 H new ATOM 743 N ASP A 58 5.566 13.930 11.302 1.00 0.00 N ATOM 744 CA ASP A 58 5.921 14.877 12.340 1.00 0.00 C ATOM 745 C ASP A 58 6.163 16.248 11.726 1.00 0.00 C ATOM 746 O ASP A 58 5.915 16.451 10.539 1.00 0.00 O ATOM 747 CB ASP A 58 7.165 14.384 13.073 1.00 0.00 C ATOM 748 CG ASP A 58 8.328 14.203 12.108 1.00 0.00 C ATOM 749 OD1 ASP A 58 8.237 14.768 10.997 1.00 0.00 O ATOM 750 OD2 ASP A 58 9.287 13.503 12.500 1.00 0.00 O ATOM 0 H ASP A 58 6.338 13.341 10.989 1.00 0.00 H new ATOM 0 HA ASP A 58 5.104 14.962 13.056 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.440 15.097 13.851 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.949 13.438 13.569 1.00 0.00 H new ATOM 755 N ALA A 59 6.650 17.190 12.537 1.00 0.00 N ATOM 756 CA ALA A 59 6.921 18.535 12.070 1.00 0.00 C ATOM 757 C ALA A 59 8.005 18.500 11.002 1.00 0.00 C ATOM 758 O ALA A 59 8.115 19.422 10.197 1.00 0.00 O ATOM 759 CB ALA A 59 7.350 19.404 13.249 1.00 0.00 C ATOM 0 H ALA A 59 6.863 17.037 13.523 1.00 0.00 H new ATOM 0 HA ALA A 59 6.019 18.962 11.630 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.554 20.416 12.900 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.552 19.430 13.991 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.251 18.987 13.700 1.00 0.00 H new ATOM 765 N ASN A 60 8.808 17.434 10.997 1.00 0.00 N ATOM 766 CA ASN A 60 9.876 17.287 10.030 1.00 0.00 C ATOM 767 C ASN A 60 9.316 16.770 8.712 1.00 0.00 C ATOM 768 O ASN A 60 10.067 16.503 7.777 1.00 0.00 O ATOM 769 CB ASN A 60 10.932 16.332 10.580 1.00 0.00 C ATOM 770 CG ASN A 60 12.226 17.072 10.888 1.00 0.00 C ATOM 771 OD1 ASN A 60 12.197 18.192 11.394 1.00 0.00 O ATOM 772 ND2 ASN A 60 13.363 16.442 10.585 1.00 0.00 N ATOM 0 H ASN A 60 8.731 16.661 11.659 1.00 0.00 H new ATOM 0 HA ASN A 60 10.340 18.256 9.848 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.558 15.852 11.485 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.125 15.540 9.856 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.260 16.890 10.773 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.335 15.512 10.166 1.00 0.00 H new ATOM 779 N GLY A 61 7.991 16.628 8.640 1.00 0.00 N ATOM 780 CA GLY A 61 7.342 16.144 7.438 1.00 0.00 C ATOM 781 C GLY A 61 7.835 14.745 7.099 1.00 0.00 C ATOM 782 O GLY A 61 7.901 14.373 5.929 1.00 0.00 O ATOM 0 H GLY A 61 7.353 16.844 9.406 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.261 16.132 7.580 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.547 16.820 6.608 1.00 0.00 H new ATOM 786 N SER A 62 8.183 13.968 8.127 1.00 0.00 N ATOM 787 CA SER A 62 8.667 12.616 7.933 1.00 0.00 C ATOM 788 C SER A 62 7.872 11.653 8.803 1.00 0.00 C ATOM 789 O SER A 62 7.651 11.915 9.983 1.00 0.00 O ATOM 790 CB SER A 62 10.153 12.554 8.278 1.00 0.00 C ATOM 791 OG SER A 62 10.715 11.387 7.722 1.00 0.00 O ATOM 0 H SER A 62 8.135 14.261 9.103 1.00 0.00 H new ATOM 0 HA SER A 62 8.536 12.325 6.891 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.664 13.436 7.892 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.287 12.555 9.360 1.00 0.00 H new ATOM 0 HG SER A 62 10.125 11.042 7.020 1.00 0.00 H new ATOM 797 N ALA A 63 7.442 10.533 8.216 1.00 0.00 N ATOM 798 CA ALA A 63 6.674 9.538 8.937 1.00 0.00 C ATOM 799 C ALA A 63 7.371 8.187 8.850 1.00 0.00 C ATOM 800 O ALA A 63 8.255 7.996 8.019 1.00 0.00 O ATOM 801 CB ALA A 63 5.267 9.460 8.352 1.00 0.00 C ATOM 0 H ALA A 63 7.618 10.300 7.239 1.00 0.00 H new ATOM 0 HA ALA A 63 6.601 9.820 9.987 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.689 8.712 8.894 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.780 10.431 8.444 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.325 9.181 7.300 1.00 0.00 H new ATOM 807 N SER A 64 6.969 7.250 9.711 1.00 0.00 N ATOM 808 CA SER A 64 7.555 5.925 9.726 1.00 0.00 C ATOM 809 C SER A 64 6.499 4.897 10.104 1.00 0.00 C ATOM 810 O SER A 64 5.794 5.064 11.097 1.00 0.00 O ATOM 811 CB SER A 64 8.718 5.894 10.714 1.00 0.00 C ATOM 812 OG SER A 64 9.332 7.163 10.755 1.00 0.00 O ATOM 0 H SER A 64 6.237 7.394 10.406 1.00 0.00 H new ATOM 0 HA SER A 64 7.932 5.680 8.733 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.360 5.619 11.706 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.443 5.137 10.416 1.00 0.00 H new ATOM 0 HG SER A 64 10.078 7.145 11.390 1.00 0.00 H new ATOM 818 N THR A 65 6.390 3.829 9.310 1.00 0.00 N ATOM 819 CA THR A 65 5.423 2.782 9.570 1.00 0.00 C ATOM 820 C THR A 65 5.875 1.484 8.918 1.00 0.00 C ATOM 821 O THR A 65 6.758 1.490 8.063 1.00 0.00 O ATOM 822 CB THR A 65 4.058 3.208 9.035 1.00 0.00 C ATOM 823 OG1 THR A 65 3.158 3.359 10.110 1.00 0.00 O ATOM 824 CG2 THR A 65 3.532 2.144 8.077 1.00 0.00 C ATOM 0 H THR A 65 6.965 3.675 8.482 1.00 0.00 H new ATOM 0 HA THR A 65 5.344 2.616 10.644 1.00 0.00 H new ATOM 0 HB THR A 65 4.155 4.156 8.506 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.249 3.477 9.762 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.557 2.448 7.695 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.227 2.027 7.246 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.435 1.195 8.605 1.00 0.00 H new ATOM 832 N SER A 66 5.267 0.367 9.325 1.00 0.00 N ATOM 833 CA SER A 66 5.609 -0.931 8.779 1.00 0.00 C ATOM 834 C SER A 66 4.357 -1.611 8.241 1.00 0.00 C ATOM 835 O SER A 66 3.424 -1.883 8.992 1.00 0.00 O ATOM 836 CB SER A 66 6.262 -1.782 9.864 1.00 0.00 C ATOM 837 OG SER A 66 7.650 -1.863 9.625 1.00 0.00 O ATOM 0 H SER A 66 4.534 0.345 10.034 1.00 0.00 H new ATOM 0 HA SER A 66 6.314 -0.810 7.957 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.076 -1.345 10.845 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.824 -2.780 9.871 1.00 0.00 H new ATOM 0 HG SER A 66 8.071 -2.408 10.322 1.00 0.00 H new ATOM 843 N LEU A 67 4.341 -1.885 6.934 1.00 0.00 N ATOM 844 CA LEU A 67 3.208 -2.532 6.303 1.00 0.00 C ATOM 845 C LEU A 67 3.474 -4.025 6.168 1.00 0.00 C ATOM 846 O LEU A 67 4.626 -4.453 6.147 1.00 0.00 O ATOM 847 CB LEU A 67 2.961 -1.902 4.935 1.00 0.00 C ATOM 848 CG LEU A 67 1.463 -1.888 4.645 1.00 0.00 C ATOM 849 CD1 LEU A 67 1.099 -0.601 3.910 1.00 0.00 C ATOM 850 CD2 LEU A 67 1.102 -3.090 3.777 1.00 0.00 C ATOM 0 H LEU A 67 5.107 -1.664 6.298 1.00 0.00 H new ATOM 0 HA LEU A 67 2.319 -2.396 6.918 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.356 -0.886 4.914 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.487 -2.465 4.163 1.00 0.00 H new ATOM 0 HG LEU A 67 0.911 -1.939 5.583 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.029 -0.591 3.703 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.357 0.258 4.530 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.651 -0.549 2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.032 -3.081 3.569 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.654 -3.040 2.839 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.362 -4.009 4.302 1.00 0.00 H new ATOM 862 N THR A 68 2.404 -4.818 6.077 1.00 0.00 N ATOM 863 CA THR A 68 2.531 -6.255 5.945 1.00 0.00 C ATOM 864 C THR A 68 2.055 -6.693 4.567 1.00 0.00 C ATOM 865 O THR A 68 0.991 -6.279 4.114 1.00 0.00 O ATOM 866 CB THR A 68 1.719 -6.940 7.040 1.00 0.00 C ATOM 867 OG1 THR A 68 1.096 -8.090 6.513 1.00 0.00 O ATOM 868 CG2 THR A 68 0.654 -5.978 7.560 1.00 0.00 C ATOM 0 H THR A 68 1.442 -4.480 6.093 1.00 0.00 H new ATOM 0 HA THR A 68 3.577 -6.541 6.053 1.00 0.00 H new ATOM 0 HB THR A 68 2.380 -7.227 7.858 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.779 -8.747 6.265 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.073 -6.467 8.342 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.135 -5.088 7.967 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.008 -5.691 6.743 1.00 0.00 H new ATOM 876 N VAL A 69 2.849 -7.535 3.900 1.00 0.00 N ATOM 877 CA VAL A 69 2.508 -8.025 2.580 1.00 0.00 C ATOM 878 C VAL A 69 2.072 -9.480 2.669 1.00 0.00 C ATOM 879 O VAL A 69 2.780 -10.309 3.237 1.00 0.00 O ATOM 880 CB VAL A 69 3.713 -7.876 1.656 1.00 0.00 C ATOM 881 CG1 VAL A 69 4.973 -7.673 2.491 1.00 0.00 C ATOM 882 CG2 VAL A 69 3.862 -9.137 0.809 1.00 0.00 C ATOM 0 H VAL A 69 3.735 -7.888 4.263 1.00 0.00 H new ATOM 0 HA VAL A 69 1.682 -7.443 2.173 1.00 0.00 H new ATOM 0 HB VAL A 69 3.567 -7.015 1.004 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.834 -7.567 1.831 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.867 -6.773 3.097 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.120 -8.534 3.143 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.723 -9.032 0.148 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.008 -9.998 1.461 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.962 -9.283 0.212 1.00 0.00 H new ATOM 892 N ARG A 70 0.902 -9.790 2.104 1.00 0.00 N ATOM 893 CA ARG A 70 0.378 -11.141 2.122 1.00 0.00 C ATOM 894 C ARG A 70 0.401 -11.722 0.716 1.00 0.00 C ATOM 895 O ARG A 70 0.538 -10.986 -0.259 1.00 0.00 O ATOM 896 CB ARG A 70 -1.043 -11.127 2.678 1.00 0.00 C ATOM 897 CG ARG A 70 -1.003 -11.385 4.182 1.00 0.00 C ATOM 898 CD ARG A 70 0.074 -10.511 4.820 1.00 0.00 C ATOM 899 NE ARG A 70 -0.159 -10.356 6.256 1.00 0.00 N ATOM 900 CZ ARG A 70 0.163 -11.302 7.149 1.00 0.00 C ATOM 901 NH1 ARG A 70 0.723 -12.448 6.740 1.00 0.00 N ATOM 902 NH2 ARG A 70 -0.076 -11.102 8.453 1.00 0.00 N ATOM 0 H ARG A 70 0.304 -9.114 1.629 1.00 0.00 H new ATOM 0 HA ARG A 70 0.999 -11.767 2.763 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.515 -10.165 2.476 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.646 -11.888 2.183 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -1.974 -11.166 4.625 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -0.795 -12.437 4.376 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.055 -10.956 4.653 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.083 -9.532 4.342 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.584 -9.492 6.592 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.905 -12.601 5.748 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.968 -13.167 7.420 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.503 -10.230 8.765 1.00 0.00 H new ATOM 0 HH22 ARG A 70 0.169 -11.822 9.133 1.00 0.00 H new ATOM 916 N ARG A 71 0.265 -13.046 0.613 1.00 0.00 N ATOM 917 CA ARG A 71 0.271 -13.718 -0.671 1.00 0.00 C ATOM 918 C ARG A 71 -1.153 -13.846 -1.193 1.00 0.00 C ATOM 919 O ARG A 71 -1.363 -14.227 -2.342 1.00 0.00 O ATOM 920 CB ARG A 71 0.917 -15.092 -0.522 1.00 0.00 C ATOM 921 CG ARG A 71 0.045 -15.970 0.371 1.00 0.00 C ATOM 922 CD ARG A 71 -0.071 -17.363 -0.242 1.00 0.00 C ATOM 923 NE ARG A 71 -0.527 -18.336 0.750 1.00 0.00 N ATOM 924 CZ ARG A 71 -0.784 -19.616 0.445 1.00 0.00 C ATOM 925 NH1 ARG A 71 -0.623 -20.051 -0.812 1.00 0.00 N ATOM 926 NH2 ARG A 71 -1.201 -20.461 1.398 1.00 0.00 N ATOM 0 H ARG A 71 0.149 -13.669 1.412 1.00 0.00 H new ATOM 0 HA ARG A 71 0.849 -13.135 -1.388 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.038 -15.557 -1.500 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.913 -14.992 -0.091 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.478 -16.035 1.369 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.944 -15.526 0.481 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.768 -17.339 -1.080 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.896 -17.670 -0.641 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.655 -18.028 1.714 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.305 -19.408 -1.537 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.819 -21.025 -1.044 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.323 -20.130 2.355 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.397 -21.435 1.166 1.00 0.00 H new ATOM 940 N SER A 72 -2.133 -13.525 -0.344 1.00 0.00 N ATOM 941 CA SER A 72 -3.529 -13.604 -0.725 1.00 0.00 C ATOM 942 C SER A 72 -4.401 -13.058 0.396 1.00 0.00 C ATOM 943 O SER A 72 -4.091 -13.238 1.572 1.00 0.00 O ATOM 944 CB SER A 72 -3.889 -15.055 -1.033 1.00 0.00 C ATOM 945 OG SER A 72 -5.162 -15.104 -1.638 1.00 0.00 O ATOM 0 H SER A 72 -1.975 -13.208 0.613 1.00 0.00 H new ATOM 0 HA SER A 72 -3.702 -13.003 -1.618 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.143 -15.494 -1.695 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.887 -15.644 -0.116 1.00 0.00 H new ATOM 0 HG SER A 72 -5.167 -14.535 -2.436 1.00 0.00 H new ATOM 951 N PHE A 73 -5.497 -12.389 0.030 1.00 0.00 N ATOM 952 CA PHE A 73 -6.407 -11.823 1.005 1.00 0.00 C ATOM 953 C PHE A 73 -7.609 -11.214 0.298 1.00 0.00 C ATOM 954 O PHE A 73 -7.533 -10.877 -0.882 1.00 0.00 O ATOM 955 CB PHE A 73 -5.674 -10.769 1.831 1.00 0.00 C ATOM 956 CG PHE A 73 -4.891 -9.785 0.995 1.00 0.00 C ATOM 957 CD1 PHE A 73 -5.558 -8.762 0.310 1.00 0.00 C ATOM 958 CD2 PHE A 73 -3.498 -9.895 0.907 1.00 0.00 C ATOM 959 CE1 PHE A 73 -4.831 -7.849 -0.463 1.00 0.00 C ATOM 960 CE2 PHE A 73 -2.772 -8.981 0.133 1.00 0.00 C ATOM 961 CZ PHE A 73 -3.438 -7.958 -0.552 1.00 0.00 C ATOM 0 H PHE A 73 -5.769 -12.230 -0.940 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.764 -12.607 1.673 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.399 -10.224 2.435 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -4.994 -11.268 2.522 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.633 -8.677 0.378 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.984 -10.684 1.436 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.345 -7.060 -0.991 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.697 -9.066 0.065 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.878 -7.253 -1.149 1.00 0.00 H new ATOM 971 N GLU A 74 -8.722 -11.073 1.022 1.00 0.00 N ATOM 972 CA GLU A 74 -9.931 -10.505 0.458 1.00 0.00 C ATOM 973 C GLU A 74 -9.631 -9.140 -0.146 1.00 0.00 C ATOM 974 O GLU A 74 -9.240 -8.216 0.564 1.00 0.00 O ATOM 975 CB GLU A 74 -10.994 -10.392 1.547 1.00 0.00 C ATOM 976 CG GLU A 74 -10.433 -9.600 2.725 1.00 0.00 C ATOM 977 CD GLU A 74 -10.533 -10.401 4.015 1.00 0.00 C ATOM 978 OE1 GLU A 74 -11.682 -10.660 4.435 1.00 0.00 O ATOM 979 OE2 GLU A 74 -9.459 -10.739 4.558 1.00 0.00 O ATOM 0 H GLU A 74 -8.803 -11.347 2.001 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.306 -11.154 -0.333 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.882 -9.898 1.153 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.300 -11.385 1.876 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.392 -9.342 2.532 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.979 -8.663 2.831 1.00 0.00 H new ATOM 986 N GLY A 75 -9.815 -9.015 -1.462 1.00 0.00 N ATOM 987 CA GLY A 75 -9.563 -7.764 -2.150 1.00 0.00 C ATOM 988 C GLY A 75 -10.740 -6.816 -1.969 1.00 0.00 C ATOM 989 O GLY A 75 -11.756 -6.946 -2.649 1.00 0.00 O ATOM 0 H GLY A 75 -10.138 -9.771 -2.066 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.654 -7.304 -1.762 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.398 -7.951 -3.211 1.00 0.00 H new ATOM 993 N PHE A 76 -10.602 -5.859 -1.048 1.00 0.00 N ATOM 994 CA PHE A 76 -11.653 -4.897 -0.784 1.00 0.00 C ATOM 995 C PHE A 76 -11.576 -3.759 -1.791 1.00 0.00 C ATOM 996 O PHE A 76 -10.758 -2.853 -1.646 1.00 0.00 O ATOM 997 CB PHE A 76 -11.512 -4.370 0.642 1.00 0.00 C ATOM 998 CG PHE A 76 -12.548 -4.920 1.593 1.00 0.00 C ATOM 999 CD1 PHE A 76 -13.812 -4.325 1.671 1.00 0.00 C ATOM 1000 CD2 PHE A 76 -12.244 -6.027 2.395 1.00 0.00 C ATOM 1001 CE1 PHE A 76 -14.773 -4.836 2.552 1.00 0.00 C ATOM 1002 CE2 PHE A 76 -13.204 -6.538 3.276 1.00 0.00 C ATOM 1003 CZ PHE A 76 -14.469 -5.943 3.354 1.00 0.00 C ATOM 0 H PHE A 76 -9.767 -5.737 -0.476 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.626 -5.378 -0.885 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.519 -4.618 1.016 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.584 -3.283 0.628 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -14.046 -3.472 1.052 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.269 -6.487 2.334 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -15.748 -4.376 2.613 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -12.969 -7.391 3.895 1.00 0.00 H new ATOM 0 HZ PHE A 76 -15.210 -6.338 4.033 1.00 0.00 H new ATOM 1013 N LEU A 77 -12.432 -3.806 -2.814 1.00 0.00 N ATOM 1014 CA LEU A 77 -12.457 -2.781 -3.839 1.00 0.00 C ATOM 1015 C LEU A 77 -12.623 -1.411 -3.195 1.00 0.00 C ATOM 1016 O LEU A 77 -13.429 -1.246 -2.282 1.00 0.00 O ATOM 1017 CB LEU A 77 -13.598 -3.062 -4.812 1.00 0.00 C ATOM 1018 CG LEU A 77 -14.160 -1.743 -5.332 1.00 0.00 C ATOM 1019 CD1 LEU A 77 -13.118 -1.058 -6.213 1.00 0.00 C ATOM 1020 CD2 LEU A 77 -15.419 -2.013 -6.150 1.00 0.00 C ATOM 0 H LEU A 77 -13.117 -4.550 -2.948 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.517 -2.790 -4.390 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.240 -3.670 -5.643 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.382 -3.633 -4.314 1.00 0.00 H new ATOM 0 HG LEU A 77 -14.406 -1.096 -4.490 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -13.519 -0.115 -6.585 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.218 -0.864 -5.629 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.872 -1.705 -7.055 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -15.821 -1.070 -6.522 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -15.174 -2.660 -6.992 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -16.163 -2.502 -5.521 1.00 0.00 H new ATOM 1032 N PHE A 78 -11.857 -0.428 -3.673 1.00 0.00 N ATOM 1033 CA PHE A 78 -11.925 0.919 -3.142 1.00 0.00 C ATOM 1034 C PHE A 78 -13.380 1.346 -3.002 1.00 0.00 C ATOM 1035 O PHE A 78 -13.747 1.991 -2.023 1.00 0.00 O ATOM 1036 CB PHE A 78 -11.169 1.867 -4.068 1.00 0.00 C ATOM 1037 CG PHE A 78 -9.763 2.167 -3.606 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -8.910 1.121 -3.235 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -9.312 3.492 -3.552 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -7.606 1.400 -2.809 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -8.008 3.770 -3.125 1.00 0.00 C ATOM 1042 CZ PHE A 78 -7.155 2.724 -2.754 1.00 0.00 C ATOM 0 H PHE A 78 -11.183 -0.549 -4.429 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.463 0.950 -2.155 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -11.130 1.432 -5.067 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -11.724 2.802 -4.149 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -9.258 0.099 -3.277 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -9.970 4.299 -3.840 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.948 0.593 -2.523 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -7.660 4.792 -3.082 1.00 0.00 H new ATOM 0 HZ PHE A 78 -6.149 2.938 -2.425 1.00 0.00 H new ATOM 1052 N ASP A 79 -14.207 0.984 -3.985 1.00 0.00 N ATOM 1053 CA ASP A 79 -15.614 1.331 -3.966 1.00 0.00 C ATOM 1054 C ASP A 79 -16.259 0.801 -2.694 1.00 0.00 C ATOM 1055 O ASP A 79 -17.343 1.239 -2.316 1.00 0.00 O ATOM 1056 CB ASP A 79 -16.297 0.751 -5.201 1.00 0.00 C ATOM 1057 CG ASP A 79 -17.389 1.683 -5.707 1.00 0.00 C ATOM 1058 OD1 ASP A 79 -17.635 2.696 -5.018 1.00 0.00 O ATOM 1059 OD2 ASP A 79 -17.956 1.365 -6.775 1.00 0.00 O ATOM 0 H ASP A 79 -13.917 0.449 -4.803 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.725 2.415 -3.981 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.559 0.589 -5.987 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.726 -0.222 -4.961 1.00 0.00 H new ATOM 1064 N GLY A 80 -15.589 -0.146 -2.032 1.00 0.00 N ATOM 1065 CA GLY A 80 -16.104 -0.727 -0.808 1.00 0.00 C ATOM 1066 C GLY A 80 -16.830 -2.031 -1.108 1.00 0.00 C ATOM 1067 O GLY A 80 -17.745 -2.417 -0.383 1.00 0.00 O ATOM 0 H GLY A 80 -14.689 -0.521 -2.330 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.286 -0.910 -0.112 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.784 -0.027 -0.323 1.00 0.00 H new ATOM 1071 N THR A 81 -16.420 -2.711 -2.181 1.00 0.00 N ATOM 1072 CA THR A 81 -17.034 -3.966 -2.567 1.00 0.00 C ATOM 1073 C THR A 81 -16.045 -5.107 -2.380 1.00 0.00 C ATOM 1074 O THR A 81 -14.860 -4.960 -2.672 1.00 0.00 O ATOM 1075 CB THR A 81 -17.492 -3.881 -4.021 1.00 0.00 C ATOM 1076 OG1 THR A 81 -18.786 -3.323 -4.074 1.00 0.00 O ATOM 1077 CG2 THR A 81 -17.515 -5.280 -4.629 1.00 0.00 C ATOM 0 H THR A 81 -15.664 -2.406 -2.794 1.00 0.00 H new ATOM 0 HA THR A 81 -17.901 -4.158 -1.936 1.00 0.00 H new ATOM 0 HB THR A 81 -16.802 -3.252 -4.584 1.00 0.00 H new ATOM 0 HG1 THR A 81 -19.080 -3.267 -5.007 1.00 0.00 H new ATOM 0 HG21 THR A 81 -17.842 -5.220 -5.667 1.00 0.00 H new ATOM 0 HG22 THR A 81 -16.515 -5.711 -4.588 1.00 0.00 H new ATOM 0 HG23 THR A 81 -18.205 -5.910 -4.067 1.00 0.00 H new ATOM 1085 N ARG A 82 -16.535 -6.248 -1.889 1.00 0.00 N ATOM 1086 CA ARG A 82 -15.695 -7.407 -1.664 1.00 0.00 C ATOM 1087 C ARG A 82 -15.461 -8.138 -2.978 1.00 0.00 C ATOM 1088 O ARG A 82 -16.272 -8.968 -3.381 1.00 0.00 O ATOM 1089 CB ARG A 82 -16.362 -8.327 -0.645 1.00 0.00 C ATOM 1090 CG ARG A 82 -17.757 -8.702 -1.136 1.00 0.00 C ATOM 1091 CD ARG A 82 -18.775 -8.433 -0.031 1.00 0.00 C ATOM 1092 NE ARG A 82 -20.140 -8.657 -0.508 1.00 0.00 N ATOM 1093 CZ ARG A 82 -20.791 -7.778 -1.282 1.00 0.00 C ATOM 1094 NH1 ARG A 82 -20.192 -6.638 -1.652 1.00 0.00 N ATOM 1095 NH2 ARG A 82 -22.042 -8.040 -1.686 1.00 0.00 N ATOM 0 H ARG A 82 -17.515 -6.385 -1.641 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.729 -7.090 -1.271 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.761 -9.225 -0.502 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -16.427 -7.829 0.323 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -18.009 -8.124 -2.025 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -17.783 -9.754 -1.421 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -18.573 -9.083 0.821 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -18.673 -7.406 0.320 1.00 0.00 H new ATOM 0 HE ARG A 82 -20.616 -9.518 -0.240 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -19.240 -6.439 -1.344 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -20.688 -5.969 -2.241 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -22.498 -8.908 -1.404 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -22.538 -7.371 -2.275 1.00 0.00 H new ATOM 1109 N TRP A 83 -14.349 -7.827 -3.647 1.00 0.00 N ATOM 1110 CA TRP A 83 -14.018 -8.459 -4.909 1.00 0.00 C ATOM 1111 C TRP A 83 -13.831 -9.956 -4.706 1.00 0.00 C ATOM 1112 O TRP A 83 -14.488 -10.761 -5.363 1.00 0.00 O ATOM 1113 CB TRP A 83 -12.750 -7.827 -5.476 1.00 0.00 C ATOM 1114 CG TRP A 83 -12.827 -7.447 -6.920 1.00 0.00 C ATOM 1115 CD1 TRP A 83 -12.671 -6.197 -7.407 1.00 0.00 C ATOM 1116 CD2 TRP A 83 -13.078 -8.298 -8.080 1.00 0.00 C ATOM 1117 NE1 TRP A 83 -12.807 -6.215 -8.779 1.00 0.00 N ATOM 1118 CE2 TRP A 83 -13.060 -7.489 -9.247 1.00 0.00 C ATOM 1119 CE3 TRP A 83 -13.319 -9.671 -8.264 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 -13.269 -8.010 -10.527 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 -13.530 -10.205 -9.544 1.00 0.00 C ATOM 1122 CH2 TRP A 83 -13.506 -9.380 -10.674 1.00 0.00 C ATOM 0 H TRP A 83 -13.667 -7.139 -3.329 1.00 0.00 H new ATOM 0 HA TRP A 83 -14.832 -8.309 -5.618 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -12.513 -6.937 -4.893 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -11.923 -8.524 -5.343 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -12.470 -5.318 -6.813 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -12.730 -5.390 -9.374 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -13.342 -10.326 -7.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -13.248 -7.363 -11.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -13.713 -11.263 -9.658 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -13.670 -9.800 -11.656 1.00 0.00 H new ATOM 1133 N GLY A 84 -12.931 -10.328 -3.793 1.00 0.00 N ATOM 1134 CA GLY A 84 -12.666 -11.725 -3.512 1.00 0.00 C ATOM 1135 C GLY A 84 -11.219 -11.910 -3.076 1.00 0.00 C ATOM 1136 O GLY A 84 -10.427 -10.972 -3.130 1.00 0.00 O ATOM 0 H GLY A 84 -12.377 -9.674 -3.240 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.337 -12.079 -2.730 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.865 -12.326 -4.399 1.00 0.00 H new ATOM 1140 N THR A 85 -10.875 -13.125 -2.644 1.00 0.00 N ATOM 1141 CA THR A 85 -9.527 -13.423 -2.203 1.00 0.00 C ATOM 1142 C THR A 85 -8.554 -13.259 -3.362 1.00 0.00 C ATOM 1143 O THR A 85 -8.525 -14.083 -4.273 1.00 0.00 O ATOM 1144 CB THR A 85 -9.475 -14.845 -1.652 1.00 0.00 C ATOM 1145 OG1 THR A 85 -10.763 -15.231 -1.227 1.00 0.00 O ATOM 1146 CG2 THR A 85 -8.512 -14.898 -0.469 1.00 0.00 C ATOM 0 H THR A 85 -11.519 -13.914 -2.593 1.00 0.00 H new ATOM 0 HA THR A 85 -9.239 -12.729 -1.413 1.00 0.00 H new ATOM 0 HB THR A 85 -9.130 -15.524 -2.431 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.731 -16.145 -0.875 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.475 -15.914 -0.075 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.516 -14.599 -0.797 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.856 -14.219 0.311 1.00 0.00 H new ATOM 1154 N VAL A 86 -7.756 -12.189 -3.325 1.00 0.00 N ATOM 1155 CA VAL A 86 -6.788 -11.921 -4.369 1.00 0.00 C ATOM 1156 C VAL A 86 -5.513 -12.709 -4.103 1.00 0.00 C ATOM 1157 O VAL A 86 -5.202 -13.021 -2.956 1.00 0.00 O ATOM 1158 CB VAL A 86 -6.497 -10.424 -4.420 1.00 0.00 C ATOM 1159 CG1 VAL A 86 -7.687 -9.655 -3.854 1.00 0.00 C ATOM 1160 CG2 VAL A 86 -5.253 -10.119 -3.589 1.00 0.00 C ATOM 0 H VAL A 86 -7.768 -11.497 -2.576 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.191 -12.232 -5.333 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.327 -10.122 -5.453 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -7.480 -8.586 -3.890 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.576 -9.873 -4.446 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -7.857 -9.957 -2.821 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -5.045 -9.050 -3.625 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.423 -10.421 -2.556 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -4.402 -10.668 -3.992 1.00 0.00 H new ATOM 1170 N ASP A 87 -4.776 -13.032 -5.168 1.00 0.00 N ATOM 1171 CA ASP A 87 -3.542 -13.782 -5.045 1.00 0.00 C ATOM 1172 C ASP A 87 -2.357 -12.876 -5.349 1.00 0.00 C ATOM 1173 O ASP A 87 -2.041 -12.634 -6.512 1.00 0.00 O ATOM 1174 CB ASP A 87 -3.573 -14.972 -6.000 1.00 0.00 C ATOM 1175 CG ASP A 87 -3.940 -16.251 -5.262 1.00 0.00 C ATOM 1176 OD1 ASP A 87 -3.882 -16.223 -4.014 1.00 0.00 O ATOM 1177 OD2 ASP A 87 -4.271 -17.234 -5.960 1.00 0.00 O ATOM 0 H ASP A 87 -5.021 -12.781 -6.126 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.437 -14.155 -4.026 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.295 -14.786 -6.795 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.599 -15.088 -6.475 1.00 0.00 H new ATOM 1182 N CYS A 88 -1.700 -12.376 -4.299 1.00 0.00 N ATOM 1183 CA CYS A 88 -0.556 -11.502 -4.459 1.00 0.00 C ATOM 1184 C CYS A 88 0.472 -12.160 -5.369 1.00 0.00 C ATOM 1185 O CYS A 88 1.269 -11.474 -6.006 1.00 0.00 O ATOM 1186 CB CYS A 88 0.048 -11.202 -3.090 1.00 0.00 C ATOM 1187 SG CYS A 88 -0.499 -9.632 -2.373 1.00 0.00 S ATOM 0 H CYS A 88 -1.949 -12.568 -3.329 1.00 0.00 H new ATOM 0 HA CYS A 88 -0.870 -10.564 -4.917 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -0.208 -12.011 -2.406 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.134 -11.191 -3.178 1.00 0.00 H new ATOM 1192 N THR A 89 0.452 -13.493 -5.431 1.00 0.00 N ATOM 1193 CA THR A 89 1.381 -14.230 -6.263 1.00 0.00 C ATOM 1194 C THR A 89 0.855 -14.302 -7.690 1.00 0.00 C ATOM 1195 O THR A 89 1.484 -14.905 -8.557 1.00 0.00 O ATOM 1196 CB THR A 89 1.577 -15.630 -5.689 1.00 0.00 C ATOM 1197 OG1 THR A 89 0.396 -16.381 -5.868 1.00 0.00 O ATOM 1198 CG2 THR A 89 1.894 -15.530 -4.200 1.00 0.00 C ATOM 0 H THR A 89 -0.202 -14.077 -4.910 1.00 0.00 H new ATOM 0 HA THR A 89 2.343 -13.719 -6.278 1.00 0.00 H new ATOM 0 HB THR A 89 2.402 -16.121 -6.204 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.522 -17.281 -5.501 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.034 -16.530 -3.790 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.806 -14.950 -4.060 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.069 -15.039 -3.685 1.00 0.00 H new ATOM 1206 N THR A 90 -0.302 -13.683 -7.932 1.00 0.00 N ATOM 1207 CA THR A 90 -0.902 -13.680 -9.251 1.00 0.00 C ATOM 1208 C THR A 90 -1.011 -12.253 -9.769 1.00 0.00 C ATOM 1209 O THR A 90 -0.993 -12.024 -10.976 1.00 0.00 O ATOM 1210 CB THR A 90 -2.278 -14.337 -9.184 1.00 0.00 C ATOM 1211 OG1 THR A 90 -2.130 -15.739 -9.199 1.00 0.00 O ATOM 1212 CG2 THR A 90 -3.110 -13.901 -10.387 1.00 0.00 C ATOM 0 H THR A 90 -0.837 -13.179 -7.225 1.00 0.00 H new ATOM 0 HA THR A 90 -0.275 -14.246 -9.939 1.00 0.00 H new ATOM 0 HB THR A 90 -2.781 -14.034 -8.266 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.013 -16.162 -9.154 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.093 -14.370 -10.339 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.225 -12.817 -10.377 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.608 -14.204 -11.306 1.00 0.00 H new ATOM 1220 N ALA A 91 -1.125 -11.291 -8.850 1.00 0.00 N ATOM 1221 CA ALA A 91 -1.237 -9.894 -9.216 1.00 0.00 C ATOM 1222 C ALA A 91 -0.160 -9.087 -8.504 1.00 0.00 C ATOM 1223 O ALA A 91 0.607 -9.633 -7.714 1.00 0.00 O ATOM 1224 CB ALA A 91 -2.627 -9.383 -8.849 1.00 0.00 C ATOM 0 H ALA A 91 -1.141 -11.464 -7.845 1.00 0.00 H new ATOM 0 HA ALA A 91 -1.096 -9.783 -10.291 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.712 -8.332 -9.124 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.380 -9.961 -9.385 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.783 -9.491 -7.776 1.00 0.00 H new ATOM 1230 N ALA A 92 -0.105 -7.783 -8.787 1.00 0.00 N ATOM 1231 CA ALA A 92 0.877 -6.910 -8.175 1.00 0.00 C ATOM 1232 C ALA A 92 0.258 -6.194 -6.983 1.00 0.00 C ATOM 1233 O ALA A 92 -0.777 -5.545 -7.115 1.00 0.00 O ATOM 1234 CB ALA A 92 1.376 -5.905 -9.209 1.00 0.00 C ATOM 0 H ALA A 92 -0.735 -7.316 -9.439 1.00 0.00 H new ATOM 0 HA ALA A 92 1.723 -7.499 -7.821 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.115 -5.248 -8.750 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.832 -6.438 -10.043 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.538 -5.311 -9.573 1.00 0.00 H new ATOM 1240 N CYS A 93 0.895 -6.315 -5.816 1.00 0.00 N ATOM 1241 CA CYS A 93 0.406 -5.681 -4.608 1.00 0.00 C ATOM 1242 C CYS A 93 1.257 -4.461 -4.286 1.00 0.00 C ATOM 1243 O CYS A 93 2.428 -4.404 -4.655 1.00 0.00 O ATOM 1244 CB CYS A 93 0.441 -6.684 -3.459 1.00 0.00 C ATOM 1245 SG CYS A 93 -0.387 -8.252 -3.825 1.00 0.00 S ATOM 0 H CYS A 93 1.754 -6.851 -5.691 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.623 -5.353 -4.755 1.00 0.00 H new ATOM 0 HB2 CYS A 93 1.480 -6.886 -3.198 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -0.026 -6.234 -2.583 1.00 0.00 H new ATOM 1250 N GLN A 94 0.666 -3.484 -3.594 1.00 0.00 N ATOM 1251 CA GLN A 94 1.371 -2.272 -3.228 1.00 0.00 C ATOM 1252 C GLN A 94 0.792 -1.707 -1.939 1.00 0.00 C ATOM 1253 O GLN A 94 -0.405 -1.825 -1.690 1.00 0.00 O ATOM 1254 CB GLN A 94 1.259 -1.258 -4.363 1.00 0.00 C ATOM 1255 CG GLN A 94 0.160 -0.250 -4.038 1.00 0.00 C ATOM 1256 CD GLN A 94 -0.405 0.366 -5.310 1.00 0.00 C ATOM 1257 OE1 GLN A 94 0.281 0.433 -6.327 1.00 0.00 O ATOM 1258 NE2 GLN A 94 -1.660 0.817 -5.250 1.00 0.00 N ATOM 0 H GLN A 94 -0.303 -3.517 -3.279 1.00 0.00 H new ATOM 0 HA GLN A 94 2.425 -2.495 -3.061 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.210 -0.744 -4.500 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.034 -1.768 -5.300 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.638 -0.742 -3.482 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.559 0.535 -3.395 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -2.189 0.739 -4.382 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -2.090 1.240 -6.073 1.00 0.00 H new ATOM 1267 N VAL A 95 1.647 -1.090 -1.120 1.00 0.00 N ATOM 1268 CA VAL A 95 1.218 -0.509 0.137 1.00 0.00 C ATOM 1269 C VAL A 95 1.181 1.008 0.017 1.00 0.00 C ATOM 1270 O VAL A 95 1.905 1.586 -0.790 1.00 0.00 O ATOM 1271 CB VAL A 95 2.171 -0.941 1.247 1.00 0.00 C ATOM 1272 CG1 VAL A 95 1.993 -0.025 2.455 1.00 0.00 C ATOM 1273 CG2 VAL A 95 1.863 -2.380 1.650 1.00 0.00 C ATOM 0 H VAL A 95 2.643 -0.984 -1.313 1.00 0.00 H new ATOM 0 HA VAL A 95 0.215 -0.859 0.381 1.00 0.00 H new ATOM 0 HB VAL A 95 3.199 -0.876 0.890 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.674 -0.333 3.249 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.213 1.003 2.167 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.965 -0.090 2.813 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.544 -2.689 2.443 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.835 -2.446 2.008 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.990 -3.034 0.788 1.00 0.00 H new ATOM 1283 N GLY A 96 0.333 1.653 0.822 1.00 0.00 N ATOM 1284 CA GLY A 96 0.211 3.096 0.798 1.00 0.00 C ATOM 1285 C GLY A 96 -0.637 3.573 1.970 1.00 0.00 C ATOM 1286 O GLY A 96 -1.314 2.776 2.614 1.00 0.00 O ATOM 0 H GLY A 96 -0.276 1.190 1.496 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.200 3.552 0.846 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.242 3.414 -0.141 1.00 0.00 H new ATOM 1290 N LEU A 97 -0.598 4.879 2.244 1.00 0.00 N ATOM 1291 CA LEU A 97 -1.360 5.456 3.333 1.00 0.00 C ATOM 1292 C LEU A 97 -2.156 6.651 2.831 1.00 0.00 C ATOM 1293 O LEU A 97 -1.615 7.519 2.149 1.00 0.00 O ATOM 1294 CB LEU A 97 -0.410 5.871 4.453 1.00 0.00 C ATOM 1295 CG LEU A 97 0.554 6.934 3.934 1.00 0.00 C ATOM 1296 CD1 LEU A 97 0.707 8.036 4.979 1.00 0.00 C ATOM 1297 CD2 LEU A 97 1.914 6.298 3.661 1.00 0.00 C ATOM 0 H LEU A 97 -0.041 5.553 1.719 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.060 4.717 3.723 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.976 6.260 5.299 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.146 5.005 4.813 1.00 0.00 H new ATOM 0 HG LEU A 97 0.161 7.361 3.011 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.396 8.796 4.609 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.264 8.491 5.173 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.099 7.610 5.902 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.603 7.057 3.290 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.307 5.870 4.583 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.805 5.512 2.914 1.00 0.00 H new ATOM 1309 N SER A 98 -3.447 6.695 3.170 1.00 0.00 N ATOM 1310 CA SER A 98 -4.309 7.783 2.753 1.00 0.00 C ATOM 1311 C SER A 98 -4.722 8.608 3.964 1.00 0.00 C ATOM 1312 O SER A 98 -4.810 8.085 5.073 1.00 0.00 O ATOM 1313 CB SER A 98 -5.534 7.216 2.041 1.00 0.00 C ATOM 1314 OG SER A 98 -6.177 8.244 1.322 1.00 0.00 O ATOM 0 H SER A 98 -3.911 5.983 3.734 1.00 0.00 H new ATOM 0 HA SER A 98 -3.772 8.433 2.062 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.236 6.415 1.364 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.221 6.781 2.767 1.00 0.00 H new ATOM 0 HG SER A 98 -6.963 7.880 0.863 1.00 0.00 H new ATOM 1320 N ASP A 99 -4.977 9.900 3.748 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.380 10.789 4.820 1.00 0.00 C ATOM 1322 C ASP A 99 -6.820 11.233 4.608 1.00 0.00 C ATOM 1323 O ASP A 99 -7.546 10.632 3.820 1.00 0.00 O ATOM 1324 CB ASP A 99 -4.442 11.992 4.860 1.00 0.00 C ATOM 1325 CG ASP A 99 -4.985 13.133 4.012 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -4.822 13.048 2.775 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -5.553 14.069 4.615 1.00 0.00 O ATOM 0 H ASP A 99 -4.909 10.348 2.834 1.00 0.00 H new ATOM 0 HA ASP A 99 -5.320 10.266 5.775 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.317 12.327 5.890 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.456 11.702 4.497 1.00 0.00 H new ATOM 1332 N ALA A 100 -7.231 12.290 5.313 1.00 0.00 N ATOM 1333 CA ALA A 100 -8.579 12.807 5.199 1.00 0.00 C ATOM 1334 C ALA A 100 -8.791 13.392 3.810 1.00 0.00 C ATOM 1335 O ALA A 100 -9.787 13.094 3.154 1.00 0.00 O ATOM 1336 CB ALA A 100 -8.809 13.866 6.273 1.00 0.00 C ATOM 0 H ALA A 100 -6.640 12.800 5.969 1.00 0.00 H new ATOM 0 HA ALA A 100 -9.296 11.999 5.345 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -9.823 14.256 6.188 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.673 13.420 7.258 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.095 14.679 6.141 1.00 0.00 H new ATOM 1342 N ALA A 101 -7.851 14.228 3.363 1.00 0.00 N ATOM 1343 CA ALA A 101 -7.940 14.851 2.058 1.00 0.00 C ATOM 1344 C ALA A 101 -7.810 13.793 0.972 1.00 0.00 C ATOM 1345 O ALA A 101 -8.273 13.991 -0.149 1.00 0.00 O ATOM 1346 CB ALA A 101 -6.844 15.904 1.922 1.00 0.00 C ATOM 0 H ALA A 101 -7.019 14.484 3.895 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.909 15.338 1.948 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -6.910 16.373 0.940 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -6.969 16.662 2.696 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.869 15.430 2.033 1.00 0.00 H new ATOM 1352 N GLY A 102 -7.177 12.665 1.306 1.00 0.00 N ATOM 1353 CA GLY A 102 -6.992 11.587 0.355 1.00 0.00 C ATOM 1354 C GLY A 102 -5.653 11.733 -0.354 1.00 0.00 C ATOM 1355 O GLY A 102 -5.594 11.735 -1.581 1.00 0.00 O ATOM 0 H GLY A 102 -6.787 12.483 2.231 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -7.036 10.627 0.870 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.801 11.594 -0.376 1.00 0.00 H new ATOM 1359 N ASN A 103 -4.575 11.855 0.424 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.245 12.001 -0.133 1.00 0.00 C ATOM 1361 C ASN A 103 -2.286 11.038 0.554 1.00 0.00 C ATOM 1362 O ASN A 103 -2.647 10.397 1.539 1.00 0.00 O ATOM 1363 CB ASN A 103 -2.778 13.443 0.039 1.00 0.00 C ATOM 1364 CG ASN A 103 -1.883 13.582 1.262 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -0.753 14.054 1.156 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -2.392 13.172 2.426 1.00 0.00 N ATOM 0 H ASN A 103 -4.606 11.855 1.444 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.265 11.763 -1.197 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -2.236 13.763 -0.851 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -3.642 14.100 0.139 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -1.837 13.244 3.279 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -3.336 12.787 2.463 1.00 0.00 H new ATOM 1373 N GLY A 104 -1.061 10.939 0.033 1.00 0.00 N ATOM 1374 CA GLY A 104 -0.062 10.056 0.601 1.00 0.00 C ATOM 1375 C GLY A 104 1.274 10.250 -0.102 1.00 0.00 C ATOM 1376 O GLY A 104 1.371 11.018 -1.056 1.00 0.00 O ATOM 0 H GLY A 104 -0.745 11.464 -0.783 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.047 10.257 1.667 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.385 9.020 0.504 1.00 0.00 H new ATOM 1380 N PRO A 105 2.306 9.549 0.372 1.00 0.00 N ATOM 1381 CA PRO A 105 3.647 9.603 -0.169 1.00 0.00 C ATOM 1382 C PRO A 105 3.686 8.886 -1.511 1.00 0.00 C ATOM 1383 O PRO A 105 2.762 8.149 -1.850 1.00 0.00 O ATOM 1384 CB PRO A 105 4.515 8.884 0.861 1.00 0.00 C ATOM 1385 CG PRO A 105 3.548 7.868 1.468 1.00 0.00 C ATOM 1386 CD PRO A 105 2.228 8.636 1.492 1.00 0.00 C ATOM 0 HA PRO A 105 3.993 10.622 -0.342 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.374 8.398 0.398 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.904 9.571 1.612 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.479 6.963 0.864 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.857 7.562 2.467 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.377 7.962 1.393 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.101 9.174 2.432 1.00 0.00 H new ATOM 1394 N GLU A 106 4.757 9.104 -2.277 1.00 0.00 N ATOM 1395 CA GLU A 106 4.907 8.478 -3.575 1.00 0.00 C ATOM 1396 C GLU A 106 4.379 7.051 -3.527 1.00 0.00 C ATOM 1397 O GLU A 106 4.643 6.320 -2.575 1.00 0.00 O ATOM 1398 CB GLU A 106 6.378 8.497 -3.981 1.00 0.00 C ATOM 1399 CG GLU A 106 7.208 7.783 -2.919 1.00 0.00 C ATOM 1400 CD GLU A 106 8.394 8.637 -2.493 1.00 0.00 C ATOM 1401 OE1 GLU A 106 9.276 8.852 -3.352 1.00 0.00 O ATOM 1402 OE2 GLU A 106 8.397 9.057 -1.315 1.00 0.00 O ATOM 0 H GLU A 106 5.531 9.713 -2.012 1.00 0.00 H new ATOM 0 HA GLU A 106 4.331 9.031 -4.317 1.00 0.00 H new ATOM 0 HB2 GLU A 106 6.506 8.009 -4.947 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.721 9.525 -4.096 1.00 0.00 H new ATOM 0 HG2 GLU A 106 6.585 7.561 -2.053 1.00 0.00 H new ATOM 0 HG3 GLU A 106 7.563 6.829 -3.309 1.00 0.00 H new ATOM 1409 N GLY A 107 3.630 6.655 -4.559 1.00 0.00 N ATOM 1410 CA GLY A 107 3.073 5.319 -4.626 1.00 0.00 C ATOM 1411 C GLY A 107 4.155 4.282 -4.361 1.00 0.00 C ATOM 1412 O GLY A 107 5.321 4.501 -4.684 1.00 0.00 O ATOM 0 H GLY A 107 3.400 7.248 -5.356 1.00 0.00 H new ATOM 0 HA2 GLY A 107 2.272 5.214 -3.894 1.00 0.00 H new ATOM 0 HA3 GLY A 107 2.631 5.151 -5.608 1.00 0.00 H new ATOM 1416 N VAL A 108 3.766 3.149 -3.772 1.00 0.00 N ATOM 1417 CA VAL A 108 4.701 2.085 -3.466 1.00 0.00 C ATOM 1418 C VAL A 108 4.236 0.789 -4.115 1.00 0.00 C ATOM 1419 O VAL A 108 3.282 0.168 -3.652 1.00 0.00 O ATOM 1420 CB VAL A 108 4.810 1.923 -1.953 1.00 0.00 C ATOM 1421 CG1 VAL A 108 5.387 0.549 -1.628 1.00 0.00 C ATOM 1422 CG2 VAL A 108 5.728 3.006 -1.391 1.00 0.00 C ATOM 0 H VAL A 108 2.803 2.952 -3.500 1.00 0.00 H new ATOM 0 HA VAL A 108 5.685 2.335 -3.862 1.00 0.00 H new ATOM 0 HB VAL A 108 3.820 2.016 -1.506 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.465 0.433 -0.547 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.733 -0.225 -2.029 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.377 0.455 -2.075 1.00 0.00 H new ATOM 0 HG21 VAL A 108 5.807 2.891 -0.310 1.00 0.00 H new ATOM 0 HG22 VAL A 108 6.717 2.913 -1.839 1.00 0.00 H new ATOM 0 HG23 VAL A 108 5.316 3.988 -1.623 1.00 0.00 H new ATOM 1432 N ALA A 109 4.915 0.381 -5.190 1.00 0.00 N ATOM 1433 CA ALA A 109 4.568 -0.836 -5.896 1.00 0.00 C ATOM 1434 C ALA A 109 5.344 -2.009 -5.313 1.00 0.00 C ATOM 1435 O ALA A 109 6.470 -1.842 -4.851 1.00 0.00 O ATOM 1436 CB ALA A 109 4.878 -0.667 -7.381 1.00 0.00 C ATOM 0 H ALA A 109 5.710 0.884 -5.585 1.00 0.00 H new ATOM 0 HA ALA A 109 3.503 -1.037 -5.781 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.618 -1.582 -7.913 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.297 0.164 -7.782 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.941 -0.462 -7.510 1.00 0.00 H new ATOM 1442 N ILE A 110 4.737 -3.198 -5.335 1.00 0.00 N ATOM 1443 CA ILE A 110 5.370 -4.391 -4.811 1.00 0.00 C ATOM 1444 C ILE A 110 5.595 -5.391 -5.936 1.00 0.00 C ATOM 1445 O ILE A 110 4.948 -5.311 -6.979 1.00 0.00 O ATOM 1446 CB ILE A 110 4.492 -4.994 -3.718 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.641 -3.897 -3.085 1.00 0.00 C ATOM 1448 CG2 ILE A 110 5.377 -5.631 -2.650 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.169 -4.351 -1.707 1.00 0.00 C ATOM 0 H ILE A 110 3.803 -3.351 -5.714 1.00 0.00 H new ATOM 0 HA ILE A 110 6.338 -4.135 -4.380 1.00 0.00 H new ATOM 0 HB ILE A 110 3.841 -5.753 -4.152 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.220 -2.977 -2.998 1.00 0.00 H new ATOM 0 HG13 ILE A 110 2.783 -3.675 -3.720 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.751 -6.062 -1.869 1.00 0.00 H new ATOM 0 HG22 ILE A 110 5.985 -6.415 -3.102 1.00 0.00 H new ATOM 0 HG23 ILE A 110 6.028 -4.872 -2.216 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.561 -3.568 -1.254 1.00 0.00 H new ATOM 0 HD12 ILE A 110 2.575 -5.259 -1.807 1.00 0.00 H new ATOM 0 HD13 ILE A 110 4.033 -4.551 -1.074 1.00 0.00 H new ATOM 1461 N SER A 111 6.515 -6.335 -5.724 1.00 0.00 N ATOM 1462 CA SER A 111 6.817 -7.343 -6.720 1.00 0.00 C ATOM 1463 C SER A 111 7.082 -8.679 -6.039 1.00 0.00 C ATOM 1464 O SER A 111 8.082 -8.836 -5.342 1.00 0.00 O ATOM 1465 CB SER A 111 8.029 -6.903 -7.536 1.00 0.00 C ATOM 1466 OG SER A 111 7.708 -6.936 -8.909 1.00 0.00 O ATOM 0 H SER A 111 7.061 -6.415 -4.866 1.00 0.00 H new ATOM 0 HA SER A 111 5.967 -7.462 -7.391 1.00 0.00 H new ATOM 0 HB2 SER A 111 8.330 -5.896 -7.246 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.875 -7.560 -7.333 1.00 0.00 H new ATOM 0 HG SER A 111 8.485 -6.652 -9.434 1.00 0.00 H new ATOM 1472 N PHE A 112 6.181 -9.643 -6.243 1.00 0.00 N ATOM 1473 CA PHE A 112 6.324 -10.958 -5.650 1.00 0.00 C ATOM 1474 C PHE A 112 7.165 -11.845 -6.556 1.00 0.00 C ATOM 1475 O PHE A 112 6.724 -12.226 -7.638 1.00 0.00 O ATOM 1476 CB PHE A 112 4.942 -11.566 -5.427 1.00 0.00 C ATOM 1477 CG PHE A 112 4.036 -10.708 -4.577 1.00 0.00 C ATOM 1478 CD1 PHE A 112 3.304 -9.669 -5.162 1.00 0.00 C ATOM 1479 CD2 PHE A 112 3.925 -10.955 -3.203 1.00 0.00 C ATOM 1480 CE1 PHE A 112 2.462 -8.875 -4.374 1.00 0.00 C ATOM 1481 CE2 PHE A 112 3.083 -10.162 -2.415 1.00 0.00 C ATOM 1482 CZ PHE A 112 2.351 -9.121 -3.000 1.00 0.00 C ATOM 0 H PHE A 112 5.346 -9.529 -6.817 1.00 0.00 H new ATOM 0 HA PHE A 112 6.830 -10.875 -4.688 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.468 -11.734 -6.394 1.00 0.00 H new ATOM 0 HB3 PHE A 112 5.055 -12.541 -4.953 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.388 -9.479 -6.222 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.489 -11.758 -2.751 1.00 0.00 H new ATOM 0 HE1 PHE A 112 1.898 -8.073 -4.826 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.998 -10.353 -1.355 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.702 -8.509 -2.392 1.00 0.00 H new ATOM 1492 N ASN A 113 8.380 -12.174 -6.111 1.00 0.00 N ATOM 1493 CA ASN A 113 9.273 -13.014 -6.884 1.00 0.00 C ATOM 1494 C ASN A 113 10.701 -12.854 -6.380 1.00 0.00 C ATOM 1495 O ASN A 113 11.495 -13.790 -6.450 1.00 0.00 O ATOM 1496 CB ASN A 113 9.175 -12.637 -8.359 1.00 0.00 C ATOM 1497 CG ASN A 113 9.228 -11.127 -8.538 1.00 0.00 C ATOM 1498 OD1 ASN A 113 10.308 -10.542 -8.577 1.00 0.00 O ATOM 1499 ND2 ASN A 113 8.057 -10.495 -8.650 1.00 0.00 N ATOM 0 H ASN A 113 8.761 -11.866 -5.216 1.00 0.00 H new ATOM 0 HA ASN A 113 8.984 -14.059 -6.769 1.00 0.00 H new ATOM 0 HB2 ASN A 113 9.991 -13.102 -8.912 1.00 0.00 H new ATOM 0 HB3 ASN A 113 8.246 -13.024 -8.777 1.00 0.00 H new ATOM 0 HD21 ASN A 113 8.034 -9.483 -8.774 1.00 0.00 H new ATOM 0 HD22 ASN A 113 7.186 -11.024 -8.612 1.00 0.00 H new TER 1506 ASN A 113