USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 771 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 30 CYS SG : rot 132:sc= 1.58 USER MOD Set 1.2: A 79 CYS SG : rot -146:sc= 0.48 USER MOD Set 2.1: A 9 SER OG : rot 39:sc= 0.111 USER MOD Set 2.2: A 81 CYS SG : rot 51:sc= -1.11 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -116:sc= -0.226 (180deg=-1.78!) USER MOD Single : A 17 ASN : amide:sc= -0.45 X(o=-0.45,f=-0.73) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 130:sc= -0.97 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.153 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -156:sc= -0.117 (180deg=-0.567) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -3.33! C(o=-3.3!,f=-4.2!) USER MOD Single : A 54 SER OG : rot 6:sc= 0.197 USER MOD Single : A 57 GLN : amide:sc= -5.47! C(o=-5.5!,f=-10!) USER MOD Single : A 60 SER OG : rot 180:sc= -0.0301 USER MOD Single : A 62 CYS SG : rot 4:sc= -4.56! USER MOD Single : A 65 GLN : amide:sc= -0.222 K(o=-0.22,f=-1.7!) USER MOD Single : A 77 TYR OH : rot -29:sc= 0.348 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.744 K(o=-0.74,f=-2.9!) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0607 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 21:sc= 0.149 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.470 27.779 17.387 1.00 0.00 N ATOM 2 CA GLY A 1 2.779 27.152 17.349 1.00 0.00 C ATOM 3 C GLY A 1 3.398 27.188 15.966 1.00 0.00 C ATOM 4 O GLY A 1 4.481 27.743 15.777 1.00 0.00 O ATOM 0 H1 GLY A 1 1.089 27.729 18.353 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.554 28.775 17.099 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.828 27.283 16.736 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.441 27.656 18.053 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.692 26.117 17.678 1.00 0.00 H new ATOM 8 N SER A 2 2.712 26.593 14.996 1.00 0.00 N ATOM 9 CA SER A 2 3.204 26.554 13.624 1.00 0.00 C ATOM 10 C SER A 2 2.152 27.083 12.654 1.00 0.00 C ATOM 11 O SER A 2 0.951 26.986 12.909 1.00 0.00 O ATOM 12 CB SER A 2 3.595 25.125 13.240 1.00 0.00 C ATOM 13 OG SER A 2 4.395 25.112 12.071 1.00 0.00 O ATOM 0 H SER A 2 1.813 26.131 15.135 1.00 0.00 H new ATOM 0 HA SER A 2 4.085 27.193 13.562 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.139 24.660 14.062 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.696 24.530 13.076 1.00 0.00 H new ATOM 0 HG SER A 2 4.633 24.188 11.848 1.00 0.00 H new ATOM 19 N SER A 3 2.612 27.644 11.540 1.00 0.00 N ATOM 20 CA SER A 3 1.711 28.192 10.532 1.00 0.00 C ATOM 21 C SER A 3 2.388 28.237 9.166 1.00 0.00 C ATOM 22 O SER A 3 3.614 28.217 9.067 1.00 0.00 O ATOM 23 CB SER A 3 1.256 29.596 10.935 1.00 0.00 C ATOM 24 OG SER A 3 2.323 30.525 10.840 1.00 0.00 O ATOM 0 H SER A 3 3.603 27.731 11.313 1.00 0.00 H new ATOM 0 HA SER A 3 0.840 27.540 10.465 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.435 29.914 10.293 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.874 29.579 11.956 1.00 0.00 H new ATOM 0 HG SER A 3 2.006 31.415 11.101 1.00 0.00 H new ATOM 30 N GLY A 4 1.579 28.298 8.113 1.00 0.00 N ATOM 31 CA GLY A 4 2.116 28.344 6.765 1.00 0.00 C ATOM 32 C GLY A 4 1.030 28.382 5.709 1.00 0.00 C ATOM 33 O GLY A 4 0.971 27.515 4.838 1.00 0.00 O ATOM 0 H GLY A 4 0.561 28.316 8.169 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.751 29.224 6.660 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.749 27.472 6.600 1.00 0.00 H new ATOM 37 N SER A 5 0.166 29.390 5.787 1.00 0.00 N ATOM 38 CA SER A 5 -0.928 29.534 4.833 1.00 0.00 C ATOM 39 C SER A 5 -0.482 29.130 3.431 1.00 0.00 C ATOM 40 O SER A 5 -0.987 28.162 2.862 1.00 0.00 O ATOM 41 CB SER A 5 -1.436 30.977 4.823 1.00 0.00 C ATOM 42 OG SER A 5 -2.525 31.128 3.929 1.00 0.00 O ATOM 0 H SER A 5 0.202 30.118 6.500 1.00 0.00 H new ATOM 0 HA SER A 5 -1.738 28.873 5.142 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.744 31.264 5.828 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.628 31.648 4.533 1.00 0.00 H new ATOM 0 HG SER A 5 -2.832 32.058 3.942 1.00 0.00 H new ATOM 48 N SER A 6 0.467 29.880 2.879 1.00 0.00 N ATOM 49 CA SER A 6 0.979 29.603 1.542 1.00 0.00 C ATOM 50 C SER A 6 1.592 28.208 1.473 1.00 0.00 C ATOM 51 O SER A 6 2.614 27.935 2.100 1.00 0.00 O ATOM 52 CB SER A 6 2.021 30.650 1.145 1.00 0.00 C ATOM 53 OG SER A 6 1.426 31.927 0.985 1.00 0.00 O ATOM 0 H SER A 6 0.897 30.684 3.337 1.00 0.00 H new ATOM 0 HA SER A 6 0.144 29.649 0.843 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.799 30.701 1.907 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.505 30.352 0.215 1.00 0.00 H new ATOM 0 HG SER A 6 2.113 32.579 0.733 1.00 0.00 H new ATOM 59 N GLY A 7 0.958 27.327 0.704 1.00 0.00 N ATOM 60 CA GLY A 7 1.454 25.970 0.566 1.00 0.00 C ATOM 61 C GLY A 7 0.381 24.931 0.825 1.00 0.00 C ATOM 62 O GLY A 7 0.192 24.470 1.951 1.00 0.00 O ATOM 0 H GLY A 7 0.110 27.529 0.174 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.853 25.833 -0.439 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.280 25.816 1.261 1.00 0.00 H new ATOM 66 N PRO A 8 -0.346 24.548 -0.235 1.00 0.00 N ATOM 67 CA PRO A 8 -1.419 23.554 -0.142 1.00 0.00 C ATOM 68 C PRO A 8 -0.887 22.150 0.124 1.00 0.00 C ATOM 69 O PRO A 8 0.310 21.894 -0.009 1.00 0.00 O ATOM 70 CB PRO A 8 -2.085 23.622 -1.519 1.00 0.00 C ATOM 71 CG PRO A 8 -1.020 24.125 -2.431 1.00 0.00 C ATOM 72 CD PRO A 8 -0.175 25.056 -1.607 1.00 0.00 C ATOM 0 HA PRO A 8 -2.097 23.762 0.686 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.445 22.642 -1.833 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.946 24.290 -1.510 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.423 23.302 -2.825 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.452 24.644 -3.287 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.870 25.031 -1.917 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.510 26.089 -1.698 1.00 0.00 H new ATOM 80 N SER A 9 -1.783 21.244 0.499 1.00 0.00 N ATOM 81 CA SER A 9 -1.403 19.866 0.787 1.00 0.00 C ATOM 82 C SER A 9 -0.877 19.174 -0.467 1.00 0.00 C ATOM 83 O SER A 9 -1.598 19.017 -1.453 1.00 0.00 O ATOM 84 CB SER A 9 -2.597 19.091 1.348 1.00 0.00 C ATOM 85 OG SER A 9 -3.757 19.302 0.560 1.00 0.00 O ATOM 0 H SER A 9 -2.778 21.439 0.611 1.00 0.00 H new ATOM 0 HA SER A 9 -0.608 19.883 1.532 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.362 18.027 1.378 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.788 19.404 2.374 1.00 0.00 H new ATOM 0 HG SER A 9 -3.509 19.326 -0.388 1.00 0.00 H new ATOM 91 N LYS A 10 0.385 18.762 -0.422 1.00 0.00 N ATOM 92 CA LYS A 10 1.010 18.085 -1.553 1.00 0.00 C ATOM 93 C LYS A 10 1.851 16.903 -1.082 1.00 0.00 C ATOM 94 O LYS A 10 2.748 17.057 -0.252 1.00 0.00 O ATOM 95 CB LYS A 10 1.883 19.065 -2.340 1.00 0.00 C ATOM 96 CG LYS A 10 1.099 19.943 -3.299 1.00 0.00 C ATOM 97 CD LYS A 10 2.013 20.879 -4.073 1.00 0.00 C ATOM 98 CE LYS A 10 2.376 22.107 -3.252 1.00 0.00 C ATOM 99 NZ LYS A 10 3.570 21.867 -2.394 1.00 0.00 N ATOM 0 H LYS A 10 0.996 18.885 0.386 1.00 0.00 H new ATOM 0 HA LYS A 10 0.219 17.709 -2.203 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.424 19.700 -1.639 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.629 18.503 -2.902 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.544 19.316 -3.997 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.366 20.527 -2.742 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.922 20.349 -4.358 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.522 21.189 -4.995 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.571 22.946 -3.920 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.529 22.389 -2.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.297 21.932 -1.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.952 20.919 -2.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.296 22.582 -2.602 1.00 0.00 H new ATOM 113 N PHE A 11 1.557 15.723 -1.618 1.00 0.00 N ATOM 114 CA PHE A 11 2.287 14.514 -1.253 1.00 0.00 C ATOM 115 C PHE A 11 3.791 14.717 -1.417 1.00 0.00 C ATOM 116 O PHE A 11 4.265 15.081 -2.494 1.00 0.00 O ATOM 117 CB PHE A 11 1.824 13.335 -2.110 1.00 0.00 C ATOM 118 CG PHE A 11 0.356 13.043 -1.984 1.00 0.00 C ATOM 119 CD1 PHE A 11 -0.184 12.649 -0.770 1.00 0.00 C ATOM 120 CD2 PHE A 11 -0.484 13.161 -3.079 1.00 0.00 C ATOM 121 CE1 PHE A 11 -1.535 12.380 -0.650 1.00 0.00 C ATOM 122 CE2 PHE A 11 -1.836 12.893 -2.966 1.00 0.00 C ATOM 123 CZ PHE A 11 -2.361 12.501 -1.750 1.00 0.00 C ATOM 0 H PHE A 11 0.819 15.578 -2.306 1.00 0.00 H new ATOM 0 HA PHE A 11 2.079 14.296 -0.205 1.00 0.00 H new ATOM 0 HB2 PHE A 11 2.057 13.542 -3.155 1.00 0.00 H new ATOM 0 HB3 PHE A 11 2.389 12.447 -1.827 1.00 0.00 H new ATOM 0 HD1 PHE A 11 0.458 12.551 0.093 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.078 13.466 -4.032 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.943 12.076 0.302 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -2.480 12.990 -3.827 1.00 0.00 H new ATOM 0 HZ PHE A 11 -3.416 12.289 -1.660 1.00 0.00 H new ATOM 133 N ILE A 12 4.534 14.479 -0.342 1.00 0.00 N ATOM 134 CA ILE A 12 5.983 14.634 -0.366 1.00 0.00 C ATOM 135 C ILE A 12 6.662 13.381 -0.909 1.00 0.00 C ATOM 136 O ILE A 12 7.280 13.410 -1.973 1.00 0.00 O ATOM 137 CB ILE A 12 6.541 14.938 1.037 1.00 0.00 C ATOM 138 CG1 ILE A 12 5.547 15.789 1.831 1.00 0.00 C ATOM 139 CG2 ILE A 12 7.884 15.645 0.931 1.00 0.00 C ATOM 140 CD1 ILE A 12 5.108 17.041 1.105 1.00 0.00 C ATOM 0 H ILE A 12 4.157 14.178 0.557 1.00 0.00 H new ATOM 0 HA ILE A 12 6.198 15.476 -1.024 1.00 0.00 H new ATOM 0 HB ILE A 12 6.689 13.996 1.565 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.669 15.186 2.062 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.000 16.070 2.782 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.265 15.853 1.931 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.590 15.007 0.399 1.00 0.00 H new ATOM 0 HG23 ILE A 12 7.760 16.582 0.388 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.404 17.594 1.727 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.977 17.665 0.897 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.625 16.767 0.167 1.00 0.00 H new ATOM 152 N GLU A 13 6.539 12.281 -0.172 1.00 0.00 N ATOM 153 CA GLU A 13 7.140 11.017 -0.581 1.00 0.00 C ATOM 154 C GLU A 13 6.236 10.278 -1.565 1.00 0.00 C ATOM 155 O GLU A 13 6.712 9.635 -2.499 1.00 0.00 O ATOM 156 CB GLU A 13 7.410 10.136 0.640 1.00 0.00 C ATOM 157 CG GLU A 13 8.506 9.108 0.419 1.00 0.00 C ATOM 158 CD GLU A 13 9.732 9.698 -0.252 1.00 0.00 C ATOM 159 OE1 GLU A 13 10.596 10.244 0.465 1.00 0.00 O ATOM 160 OE2 GLU A 13 9.826 9.613 -1.494 1.00 0.00 O ATOM 0 H GLU A 13 6.029 12.240 0.710 1.00 0.00 H new ATOM 0 HA GLU A 13 8.085 11.237 -1.077 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.684 10.771 1.482 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.490 9.620 0.916 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.793 8.677 1.378 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.118 8.294 -0.193 1.00 0.00 H new ATOM 167 N GLY A 14 4.928 10.376 -1.346 1.00 0.00 N ATOM 168 CA GLY A 14 3.978 9.712 -2.220 1.00 0.00 C ATOM 169 C GLY A 14 3.962 8.210 -2.023 1.00 0.00 C ATOM 170 O GLY A 14 4.917 7.634 -1.499 1.00 0.00 O ATOM 0 H GLY A 14 4.510 10.903 -0.579 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.980 10.110 -2.036 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.225 9.937 -3.258 1.00 0.00 H new ATOM 174 N LEU A 15 2.874 7.572 -2.442 1.00 0.00 N ATOM 175 CA LEU A 15 2.736 6.126 -2.307 1.00 0.00 C ATOM 176 C LEU A 15 3.780 5.398 -3.148 1.00 0.00 C ATOM 177 O LEU A 15 4.165 5.867 -4.220 1.00 0.00 O ATOM 178 CB LEU A 15 1.332 5.687 -2.726 1.00 0.00 C ATOM 179 CG LEU A 15 0.175 6.289 -1.927 1.00 0.00 C ATOM 180 CD1 LEU A 15 -1.159 5.915 -2.556 1.00 0.00 C ATOM 181 CD2 LEU A 15 0.231 5.829 -0.478 1.00 0.00 C ATOM 0 H LEU A 15 2.075 8.033 -2.878 1.00 0.00 H new ATOM 0 HA LEU A 15 2.895 5.867 -1.260 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.192 5.940 -3.777 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.274 4.601 -2.649 1.00 0.00 H new ATOM 0 HG LEU A 15 0.271 7.375 -1.946 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.971 6.352 -1.974 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.199 6.295 -3.577 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.264 4.830 -2.568 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.600 6.267 0.075 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.160 4.742 -0.438 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.173 6.148 -0.031 1.00 0.00 H new ATOM 193 N ARG A 16 4.234 4.250 -2.656 1.00 0.00 N ATOM 194 CA ARG A 16 5.232 3.457 -3.363 1.00 0.00 C ATOM 195 C ARG A 16 4.784 2.004 -3.489 1.00 0.00 C ATOM 196 O ARG A 16 4.092 1.480 -2.617 1.00 0.00 O ATOM 197 CB ARG A 16 6.577 3.526 -2.636 1.00 0.00 C ATOM 198 CG ARG A 16 6.469 3.312 -1.136 1.00 0.00 C ATOM 199 CD ARG A 16 6.597 1.841 -0.772 1.00 0.00 C ATOM 200 NE ARG A 16 7.992 1.428 -0.642 1.00 0.00 N ATOM 201 CZ ARG A 16 8.367 0.184 -0.366 1.00 0.00 C ATOM 202 NH1 ARG A 16 7.457 -0.764 -0.192 1.00 0.00 N ATOM 203 NH2 ARG A 16 9.656 -0.113 -0.264 1.00 0.00 N ATOM 0 H ARG A 16 3.926 3.848 -1.770 1.00 0.00 H new ATOM 0 HA ARG A 16 5.346 3.872 -4.365 1.00 0.00 H new ATOM 0 HB2 ARG A 16 7.246 2.774 -3.055 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.033 4.498 -2.824 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.247 3.882 -0.629 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.512 3.694 -0.781 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.075 1.653 0.166 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.109 1.235 -1.536 1.00 0.00 H new ATOM 0 HE ARG A 16 8.718 2.133 -0.770 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.465 -0.539 -0.270 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.749 -1.718 0.020 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.359 0.614 -0.397 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.944 -1.068 -0.052 1.00 0.00 H new ATOM 217 N ASN A 17 5.182 1.360 -4.581 1.00 0.00 N ATOM 218 CA ASN A 17 4.820 -0.032 -4.821 1.00 0.00 C ATOM 219 C ASN A 17 4.886 -0.843 -3.530 1.00 0.00 C ATOM 220 O ASN A 17 5.913 -0.865 -2.853 1.00 0.00 O ATOM 221 CB ASN A 17 5.747 -0.648 -5.871 1.00 0.00 C ATOM 222 CG ASN A 17 6.995 -1.253 -5.257 1.00 0.00 C ATOM 223 OD1 ASN A 17 7.013 -2.428 -4.891 1.00 0.00 O ATOM 224 ND2 ASN A 17 8.046 -0.449 -5.142 1.00 0.00 N ATOM 0 H ASN A 17 5.755 1.779 -5.313 1.00 0.00 H new ATOM 0 HA ASN A 17 3.795 -0.056 -5.191 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.207 -1.418 -6.422 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.034 0.117 -6.592 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.914 -0.799 -4.737 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.985 0.519 -5.459 1.00 0.00 H new ATOM 231 N GLU A 18 3.784 -1.507 -3.198 1.00 0.00 N ATOM 232 CA GLU A 18 3.718 -2.319 -1.988 1.00 0.00 C ATOM 233 C GLU A 18 3.576 -3.798 -2.332 1.00 0.00 C ATOM 234 O GLU A 18 2.532 -4.237 -2.815 1.00 0.00 O ATOM 235 CB GLU A 18 2.544 -1.873 -1.112 1.00 0.00 C ATOM 236 CG GLU A 18 2.586 -2.441 0.296 1.00 0.00 C ATOM 237 CD GLU A 18 2.443 -3.951 0.321 1.00 0.00 C ATOM 238 OE1 GLU A 18 1.674 -4.487 -0.504 1.00 0.00 O ATOM 239 OE2 GLU A 18 3.099 -4.596 1.165 1.00 0.00 O ATOM 0 H GLU A 18 2.925 -1.499 -3.749 1.00 0.00 H new ATOM 0 HA GLU A 18 4.648 -2.180 -1.437 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.537 -0.784 -1.056 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.611 -2.174 -1.589 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.527 -2.161 0.769 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.787 -1.994 0.888 1.00 0.00 H new ATOM 246 N GLU A 19 4.635 -4.562 -2.081 1.00 0.00 N ATOM 247 CA GLU A 19 4.629 -5.992 -2.366 1.00 0.00 C ATOM 248 C GLU A 19 4.451 -6.802 -1.085 1.00 0.00 C ATOM 249 O GLU A 19 5.309 -6.783 -0.202 1.00 0.00 O ATOM 250 CB GLU A 19 5.928 -6.401 -3.064 1.00 0.00 C ATOM 251 CG GLU A 19 6.073 -7.902 -3.250 1.00 0.00 C ATOM 252 CD GLU A 19 7.502 -8.319 -3.538 1.00 0.00 C ATOM 253 OE1 GLU A 19 8.266 -7.487 -4.073 1.00 0.00 O ATOM 254 OE2 GLU A 19 7.857 -9.476 -3.230 1.00 0.00 O ATOM 0 H GLU A 19 5.507 -4.215 -1.681 1.00 0.00 H new ATOM 0 HA GLU A 19 3.788 -6.201 -3.027 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.975 -5.916 -4.039 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.774 -6.032 -2.484 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.724 -8.411 -2.352 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.432 -8.226 -4.070 1.00 0.00 H new ATOM 261 N ALA A 20 3.331 -7.510 -0.991 1.00 0.00 N ATOM 262 CA ALA A 20 3.040 -8.327 0.181 1.00 0.00 C ATOM 263 C ALA A 20 2.638 -9.742 -0.222 1.00 0.00 C ATOM 264 O ALA A 20 2.556 -10.062 -1.409 1.00 0.00 O ATOM 265 CB ALA A 20 1.944 -7.682 1.015 1.00 0.00 C ATOM 0 H ALA A 20 2.610 -7.535 -1.712 1.00 0.00 H new ATOM 0 HA ALA A 20 3.947 -8.393 0.782 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.737 -8.303 1.887 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.269 -6.694 1.342 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.039 -7.586 0.415 1.00 0.00 H new ATOM 271 N THR A 21 2.388 -10.588 0.773 1.00 0.00 N ATOM 272 CA THR A 21 1.996 -11.969 0.522 1.00 0.00 C ATOM 273 C THR A 21 0.506 -12.171 0.770 1.00 0.00 C ATOM 274 O THR A 21 -0.031 -11.718 1.780 1.00 0.00 O ATOM 275 CB THR A 21 2.790 -12.948 1.407 1.00 0.00 C ATOM 276 OG1 THR A 21 4.182 -12.889 1.076 1.00 0.00 O ATOM 277 CG2 THR A 21 2.282 -14.371 1.231 1.00 0.00 C ATOM 0 H THR A 21 2.450 -10.340 1.761 1.00 0.00 H new ATOM 0 HA THR A 21 2.218 -12.176 -0.525 1.00 0.00 H new ATOM 0 HB THR A 21 2.652 -12.656 2.448 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.680 -13.513 1.644 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.858 -15.044 1.866 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.230 -14.419 1.512 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.394 -14.671 0.189 1.00 0.00 H new ATOM 285 N GLU A 22 -0.157 -12.855 -0.157 1.00 0.00 N ATOM 286 CA GLU A 22 -1.586 -13.117 -0.037 1.00 0.00 C ATOM 287 C GLU A 22 -1.938 -13.578 1.374 1.00 0.00 C ATOM 288 O GLU A 22 -1.329 -14.506 1.905 1.00 0.00 O ATOM 289 CB GLU A 22 -2.021 -14.174 -1.055 1.00 0.00 C ATOM 290 CG GLU A 22 -3.512 -14.466 -1.030 1.00 0.00 C ATOM 291 CD GLU A 22 -3.850 -15.826 -1.609 1.00 0.00 C ATOM 292 OE1 GLU A 22 -3.736 -15.991 -2.842 1.00 0.00 O ATOM 293 OE2 GLU A 22 -4.228 -16.725 -0.829 1.00 0.00 O ATOM 0 H GLU A 22 0.273 -13.238 -0.999 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.118 -12.188 -0.240 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.741 -13.841 -2.054 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.475 -15.098 -0.863 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.872 -14.413 -0.002 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.039 -13.695 -1.592 1.00 0.00 H new ATOM 300 N GLY A 23 -2.926 -12.923 1.976 1.00 0.00 N ATOM 301 CA GLY A 23 -3.342 -13.278 3.319 1.00 0.00 C ATOM 302 C GLY A 23 -2.836 -12.300 4.361 1.00 0.00 C ATOM 303 O GLY A 23 -3.518 -12.027 5.349 1.00 0.00 O ATOM 0 H GLY A 23 -3.446 -12.152 1.556 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.431 -13.317 3.360 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.978 -14.278 3.556 1.00 0.00 H new ATOM 307 N ASP A 24 -1.637 -11.773 4.142 1.00 0.00 N ATOM 308 CA ASP A 24 -1.039 -10.820 5.070 1.00 0.00 C ATOM 309 C ASP A 24 -1.843 -9.524 5.110 1.00 0.00 C ATOM 310 O ASP A 24 -2.872 -9.397 4.446 1.00 0.00 O ATOM 311 CB ASP A 24 0.408 -10.526 4.671 1.00 0.00 C ATOM 312 CG ASP A 24 1.262 -11.777 4.629 1.00 0.00 C ATOM 313 OD1 ASP A 24 0.694 -12.880 4.491 1.00 0.00 O ATOM 314 OD2 ASP A 24 2.500 -11.653 4.734 1.00 0.00 O ATOM 0 H ASP A 24 -1.059 -11.989 3.330 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.049 -11.264 6.066 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.422 -10.047 3.692 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.840 -9.818 5.378 1.00 0.00 H new ATOM 319 N THR A 25 -1.366 -8.562 5.895 1.00 0.00 N ATOM 320 CA THR A 25 -2.041 -7.276 6.024 1.00 0.00 C ATOM 321 C THR A 25 -1.149 -6.137 5.543 1.00 0.00 C ATOM 322 O THR A 25 -0.271 -5.675 6.271 1.00 0.00 O ATOM 323 CB THR A 25 -2.460 -7.006 7.481 1.00 0.00 C ATOM 324 OG1 THR A 25 -3.366 -8.021 7.927 1.00 0.00 O ATOM 325 CG2 THR A 25 -3.117 -5.640 7.610 1.00 0.00 C ATOM 0 H THR A 25 -0.515 -8.649 6.451 1.00 0.00 H new ATOM 0 HA THR A 25 -2.934 -7.323 5.400 1.00 0.00 H new ATOM 0 HB THR A 25 -1.565 -7.021 8.102 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.061 -8.377 8.788 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.405 -5.471 8.648 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.414 -4.867 7.298 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.003 -5.601 6.977 1.00 0.00 H new ATOM 333 N ALA A 26 -1.380 -5.689 4.314 1.00 0.00 N ATOM 334 CA ALA A 26 -0.599 -4.601 3.738 1.00 0.00 C ATOM 335 C ALA A 26 -0.897 -3.280 4.440 1.00 0.00 C ATOM 336 O ALA A 26 -1.965 -3.103 5.026 1.00 0.00 O ATOM 337 CB ALA A 26 -0.878 -4.483 2.247 1.00 0.00 C ATOM 0 H ALA A 26 -2.102 -6.062 3.698 1.00 0.00 H new ATOM 0 HA ALA A 26 0.457 -4.829 3.882 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.288 -3.667 1.830 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.608 -5.416 1.751 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.938 -4.282 2.090 1.00 0.00 H new ATOM 343 N THR A 27 0.055 -2.354 4.376 1.00 0.00 N ATOM 344 CA THR A 27 -0.104 -1.050 5.007 1.00 0.00 C ATOM 345 C THR A 27 0.697 0.018 4.271 1.00 0.00 C ATOM 346 O THR A 27 1.927 0.043 4.338 1.00 0.00 O ATOM 347 CB THR A 27 0.338 -1.082 6.482 1.00 0.00 C ATOM 348 OG1 THR A 27 -0.487 -1.989 7.222 1.00 0.00 O ATOM 349 CG2 THR A 27 0.257 0.306 7.101 1.00 0.00 C ATOM 0 H THR A 27 0.944 -2.483 3.893 1.00 0.00 H new ATOM 0 HA THR A 27 -1.164 -0.803 4.959 1.00 0.00 H new ATOM 0 HB THR A 27 1.373 -1.420 6.521 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.198 -2.004 8.158 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.574 0.259 8.143 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.909 0.987 6.554 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.770 0.668 7.050 1.00 0.00 H new ATOM 357 N LEU A 28 -0.006 0.900 3.570 1.00 0.00 N ATOM 358 CA LEU A 28 0.640 1.972 2.821 1.00 0.00 C ATOM 359 C LEU A 28 0.681 3.259 3.639 1.00 0.00 C ATOM 360 O LEU A 28 0.132 3.325 4.739 1.00 0.00 O ATOM 361 CB LEU A 28 -0.096 2.216 1.503 1.00 0.00 C ATOM 362 CG LEU A 28 0.215 1.238 0.369 1.00 0.00 C ATOM 363 CD1 LEU A 28 -0.720 0.040 0.426 1.00 0.00 C ATOM 364 CD2 LEU A 28 0.111 1.934 -0.980 1.00 0.00 C ATOM 0 H LEU A 28 -1.024 0.894 3.504 1.00 0.00 H new ATOM 0 HA LEU A 28 1.664 1.666 2.607 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.168 2.186 1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.138 3.224 1.161 1.00 0.00 H new ATOM 0 HG LEU A 28 1.238 0.881 0.493 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.484 -0.645 -0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.596 -0.473 1.379 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.751 0.378 0.328 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.336 1.223 -1.775 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.900 2.320 -1.113 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.822 2.759 -1.020 1.00 0.00 H new ATOM 376 N TRP A 29 1.334 4.279 3.094 1.00 0.00 N ATOM 377 CA TRP A 29 1.445 5.566 3.772 1.00 0.00 C ATOM 378 C TRP A 29 2.018 6.626 2.839 1.00 0.00 C ATOM 379 O TRP A 29 2.805 6.317 1.943 1.00 0.00 O ATOM 380 CB TRP A 29 2.324 5.435 5.017 1.00 0.00 C ATOM 381 CG TRP A 29 3.775 5.232 4.701 1.00 0.00 C ATOM 382 CD1 TRP A 29 4.460 4.051 4.718 1.00 0.00 C ATOM 383 CD2 TRP A 29 4.718 6.241 4.323 1.00 0.00 C ATOM 384 NE1 TRP A 29 5.773 4.264 4.373 1.00 0.00 N ATOM 385 CE2 TRP A 29 5.957 5.599 4.125 1.00 0.00 C ATOM 386 CE3 TRP A 29 4.637 7.622 4.131 1.00 0.00 C ATOM 387 CZ2 TRP A 29 7.102 6.294 3.746 1.00 0.00 C ATOM 388 CZ3 TRP A 29 5.775 8.310 3.755 1.00 0.00 C ATOM 389 CH2 TRP A 29 6.994 7.646 3.565 1.00 0.00 C ATOM 0 H TRP A 29 1.795 4.240 2.185 1.00 0.00 H new ATOM 0 HA TRP A 29 0.445 5.877 4.073 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.214 6.332 5.626 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.969 4.597 5.617 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.033 3.091 4.966 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.494 3.545 4.311 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.702 8.143 4.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 8.043 5.784 3.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 5.724 9.378 3.605 1.00 0.00 H new ATOM 0 HH2 TRP A 29 7.865 8.212 3.270 1.00 0.00 H new ATOM 400 N CYS A 30 1.621 7.875 3.054 1.00 0.00 N ATOM 401 CA CYS A 30 2.096 8.981 2.231 1.00 0.00 C ATOM 402 C CYS A 30 2.273 10.244 3.067 1.00 0.00 C ATOM 403 O CYS A 30 1.372 10.643 3.804 1.00 0.00 O ATOM 404 CB CYS A 30 1.119 9.247 1.084 1.00 0.00 C ATOM 405 SG CYS A 30 -0.415 10.056 1.594 1.00 0.00 S ATOM 0 H CYS A 30 0.971 8.147 3.792 1.00 0.00 H new ATOM 0 HA CYS A 30 3.065 8.703 1.816 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.613 9.867 0.336 1.00 0.00 H new ATOM 0 HB3 CYS A 30 0.875 8.300 0.602 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.657 11.062 0.807 1.00 0.00 H new ATOM 411 N GLU A 31 3.441 10.868 2.947 1.00 0.00 N ATOM 412 CA GLU A 31 3.737 12.085 3.695 1.00 0.00 C ATOM 413 C GLU A 31 3.045 13.291 3.066 1.00 0.00 C ATOM 414 O GLU A 31 2.790 13.317 1.861 1.00 0.00 O ATOM 415 CB GLU A 31 5.247 12.321 3.751 1.00 0.00 C ATOM 416 CG GLU A 31 5.642 13.544 4.562 1.00 0.00 C ATOM 417 CD GLU A 31 7.012 13.404 5.198 1.00 0.00 C ATOM 418 OE1 GLU A 31 7.102 12.803 6.288 1.00 0.00 O ATOM 419 OE2 GLU A 31 7.994 13.897 4.604 1.00 0.00 O ATOM 0 H GLU A 31 4.197 10.551 2.340 1.00 0.00 H new ATOM 0 HA GLU A 31 3.359 11.959 4.710 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.728 11.441 4.178 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.627 12.431 2.735 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.633 14.422 3.916 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.899 13.714 5.341 1.00 0.00 H new ATOM 426 N LEU A 32 2.743 14.288 3.890 1.00 0.00 N ATOM 427 CA LEU A 32 2.081 15.498 3.417 1.00 0.00 C ATOM 428 C LEU A 32 2.782 16.746 3.945 1.00 0.00 C ATOM 429 O LEU A 32 3.350 16.735 5.036 1.00 0.00 O ATOM 430 CB LEU A 32 0.613 15.502 3.849 1.00 0.00 C ATOM 431 CG LEU A 32 -0.341 16.319 2.977 1.00 0.00 C ATOM 432 CD1 LEU A 32 -0.330 15.803 1.546 1.00 0.00 C ATOM 433 CD2 LEU A 32 -1.751 16.280 3.549 1.00 0.00 C ATOM 0 H LEU A 32 2.946 14.282 4.890 1.00 0.00 H new ATOM 0 HA LEU A 32 2.133 15.509 2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.259 14.471 3.873 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.556 15.882 4.869 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.001 17.355 2.971 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.015 16.396 0.940 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.678 15.883 1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.645 14.760 1.533 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.417 16.867 2.916 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.101 15.248 3.585 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.747 16.697 4.556 1.00 0.00 H new ATOM 445 N SER A 33 2.735 17.820 3.164 1.00 0.00 N ATOM 446 CA SER A 33 3.367 19.075 3.552 1.00 0.00 C ATOM 447 C SER A 33 2.427 19.914 4.412 1.00 0.00 C ATOM 448 O SER A 33 2.866 20.762 5.189 1.00 0.00 O ATOM 449 CB SER A 33 3.783 19.867 2.310 1.00 0.00 C ATOM 450 OG SER A 33 3.748 21.262 2.559 1.00 0.00 O ATOM 0 H SER A 33 2.266 17.846 2.259 1.00 0.00 H new ATOM 0 HA SER A 33 4.255 18.839 4.139 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.788 19.574 2.008 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.118 19.626 1.481 1.00 0.00 H new ATOM 0 HG SER A 33 4.019 21.745 1.751 1.00 0.00 H new ATOM 456 N LYS A 34 1.129 19.671 4.267 1.00 0.00 N ATOM 457 CA LYS A 34 0.123 20.401 5.030 1.00 0.00 C ATOM 458 C LYS A 34 -0.918 19.449 5.609 1.00 0.00 C ATOM 459 O LYS A 34 -1.783 18.949 4.891 1.00 0.00 O ATOM 460 CB LYS A 34 -0.561 21.444 4.144 1.00 0.00 C ATOM 461 CG LYS A 34 -1.875 21.955 4.710 1.00 0.00 C ATOM 462 CD LYS A 34 -1.656 22.789 5.961 1.00 0.00 C ATOM 463 CE LYS A 34 -2.791 23.779 6.177 1.00 0.00 C ATOM 464 NZ LYS A 34 -2.849 24.800 5.095 1.00 0.00 N ATOM 0 H LYS A 34 0.748 18.973 3.627 1.00 0.00 H new ATOM 0 HA LYS A 34 0.625 20.907 5.855 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.115 22.287 4.001 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.743 21.010 3.161 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.388 22.554 3.957 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.525 21.111 4.943 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.574 22.133 6.827 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.712 23.328 5.880 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.738 23.242 6.221 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.662 24.276 7.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.323 25.655 5.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.883 25.040 4.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.381 24.419 4.286 1.00 0.00 H new ATOM 478 N ALA A 35 -0.829 19.203 6.913 1.00 0.00 N ATOM 479 CA ALA A 35 -1.766 18.314 7.588 1.00 0.00 C ATOM 480 C ALA A 35 -3.174 18.471 7.026 1.00 0.00 C ATOM 481 O ALA A 35 -3.787 19.531 7.146 1.00 0.00 O ATOM 482 CB ALA A 35 -1.761 18.582 9.086 1.00 0.00 C ATOM 0 H ALA A 35 -0.118 19.607 7.522 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.445 17.287 7.412 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.465 17.911 9.578 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.760 18.412 9.483 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.054 19.615 9.272 1.00 0.00 H new ATOM 488 N ALA A 36 -3.682 17.408 6.411 1.00 0.00 N ATOM 489 CA ALA A 36 -5.019 17.427 5.831 1.00 0.00 C ATOM 490 C ALA A 36 -5.563 16.013 5.657 1.00 0.00 C ATOM 491 O ALA A 36 -4.814 15.049 5.496 1.00 0.00 O ATOM 492 CB ALA A 36 -5.005 18.157 4.496 1.00 0.00 C ATOM 0 H ALA A 36 -3.187 16.523 6.302 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.678 17.959 6.517 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.010 18.163 4.074 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.668 19.183 4.646 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.327 17.649 3.810 1.00 0.00 H new ATOM 498 N PRO A 37 -6.898 15.883 5.690 1.00 0.00 N ATOM 499 CA PRO A 37 -7.571 14.590 5.539 1.00 0.00 C ATOM 500 C PRO A 37 -7.455 14.039 4.122 1.00 0.00 C ATOM 501 O PRO A 37 -8.177 14.462 3.219 1.00 0.00 O ATOM 502 CB PRO A 37 -9.031 14.910 5.870 1.00 0.00 C ATOM 503 CG PRO A 37 -9.181 16.360 5.563 1.00 0.00 C ATOM 504 CD PRO A 37 -7.852 16.989 5.878 1.00 0.00 C ATOM 0 HA PRO A 37 -7.132 13.824 6.179 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.714 14.306 5.272 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.254 14.702 6.916 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.447 16.512 4.517 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -9.975 16.806 6.162 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.635 17.824 5.212 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.822 17.377 6.896 1.00 0.00 H new ATOM 512 N VAL A 38 -6.541 13.092 3.933 1.00 0.00 N ATOM 513 CA VAL A 38 -6.332 12.481 2.626 1.00 0.00 C ATOM 514 C VAL A 38 -7.381 11.412 2.344 1.00 0.00 C ATOM 515 O VAL A 38 -8.106 10.988 3.244 1.00 0.00 O ATOM 516 CB VAL A 38 -4.930 11.851 2.519 1.00 0.00 C ATOM 517 CG1 VAL A 38 -3.862 12.849 2.939 1.00 0.00 C ATOM 518 CG2 VAL A 38 -4.850 10.586 3.361 1.00 0.00 C ATOM 0 H VAL A 38 -5.934 12.732 4.669 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.422 13.277 1.887 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.750 11.580 1.479 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.879 12.386 2.857 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.906 13.724 2.290 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.034 13.154 3.971 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.853 10.154 3.274 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.050 10.830 4.404 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.589 9.867 3.008 1.00 0.00 H new ATOM 528 N GLU A 39 -7.456 10.980 1.089 1.00 0.00 N ATOM 529 CA GLU A 39 -8.417 9.959 0.689 1.00 0.00 C ATOM 530 C GLU A 39 -7.762 8.917 -0.212 1.00 0.00 C ATOM 531 O GLU A 39 -6.885 9.238 -1.014 1.00 0.00 O ATOM 532 CB GLU A 39 -9.604 10.600 -0.033 1.00 0.00 C ATOM 533 CG GLU A 39 -10.587 9.591 -0.603 1.00 0.00 C ATOM 534 CD GLU A 39 -11.613 10.229 -1.520 1.00 0.00 C ATOM 535 OE1 GLU A 39 -12.602 10.790 -1.003 1.00 0.00 O ATOM 536 OE2 GLU A 39 -11.427 10.168 -2.753 1.00 0.00 O ATOM 0 H GLU A 39 -6.863 11.321 0.332 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.774 9.461 1.590 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.130 11.255 0.661 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.230 11.228 -0.842 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.039 8.827 -1.154 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.101 9.087 0.216 1.00 0.00 H new ATOM 543 N TRP A 40 -8.192 7.668 -0.072 1.00 0.00 N ATOM 544 CA TRP A 40 -7.646 6.578 -0.872 1.00 0.00 C ATOM 545 C TRP A 40 -8.688 6.047 -1.850 1.00 0.00 C ATOM 546 O TRP A 40 -9.890 6.114 -1.589 1.00 0.00 O ATOM 547 CB TRP A 40 -7.157 5.447 0.034 1.00 0.00 C ATOM 548 CG TRP A 40 -6.280 5.921 1.154 1.00 0.00 C ATOM 549 CD1 TRP A 40 -6.664 6.647 2.245 1.00 0.00 C ATOM 550 CD2 TRP A 40 -4.871 5.703 1.289 1.00 0.00 C ATOM 551 NE1 TRP A 40 -5.579 6.894 3.051 1.00 0.00 N ATOM 552 CE2 TRP A 40 -4.467 6.325 2.487 1.00 0.00 C ATOM 553 CE3 TRP A 40 -3.912 5.043 0.517 1.00 0.00 C ATOM 554 CZ2 TRP A 40 -3.147 6.304 2.927 1.00 0.00 C ATOM 555 CZ3 TRP A 40 -2.602 5.024 0.955 1.00 0.00 C ATOM 556 CH2 TRP A 40 -2.229 5.650 2.151 1.00 0.00 C ATOM 0 H TRP A 40 -8.917 7.385 0.588 1.00 0.00 H new ATOM 0 HA TRP A 40 -6.803 6.967 -1.443 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -8.019 4.927 0.452 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -6.608 4.722 -0.566 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.672 6.978 2.445 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -5.598 7.416 3.927 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -4.190 4.556 -0.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.857 6.787 3.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -1.852 4.518 0.365 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -1.197 5.616 2.467 1.00 0.00 H new ATOM 567 N ARG A 41 -8.221 5.518 -2.977 1.00 0.00 N ATOM 568 CA ARG A 41 -9.114 4.976 -3.994 1.00 0.00 C ATOM 569 C ARG A 41 -8.551 3.684 -4.579 1.00 0.00 C ATOM 570 O ARG A 41 -7.373 3.609 -4.928 1.00 0.00 O ATOM 571 CB ARG A 41 -9.333 6.000 -5.109 1.00 0.00 C ATOM 572 CG ARG A 41 -10.066 7.251 -4.652 1.00 0.00 C ATOM 573 CD ARG A 41 -10.008 8.347 -5.705 1.00 0.00 C ATOM 574 NE ARG A 41 -11.066 8.206 -6.701 1.00 0.00 N ATOM 575 CZ ARG A 41 -11.332 9.122 -7.626 1.00 0.00 C ATOM 576 NH1 ARG A 41 -10.620 10.239 -7.681 1.00 0.00 N ATOM 577 NH2 ARG A 41 -12.311 8.921 -8.498 1.00 0.00 N ATOM 0 H ARG A 41 -7.230 5.453 -3.208 1.00 0.00 H new ATOM 0 HA ARG A 41 -10.071 4.754 -3.521 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.366 6.286 -5.523 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -9.898 5.532 -5.915 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.106 7.006 -4.437 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.625 7.613 -3.723 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.094 9.320 -5.221 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -9.038 8.322 -6.201 1.00 0.00 H new ATOM 0 HE ARG A 41 -11.632 7.358 -6.686 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.866 10.397 -7.012 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.826 10.941 -8.392 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -12.861 8.063 -8.459 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -12.514 9.625 -9.208 1.00 0.00 H new ATOM 591 N LYS A 42 -9.401 2.668 -4.683 1.00 0.00 N ATOM 592 CA LYS A 42 -8.990 1.379 -5.226 1.00 0.00 C ATOM 593 C LYS A 42 -9.930 0.934 -6.342 1.00 0.00 C ATOM 594 O LYS A 42 -10.854 0.154 -6.115 1.00 0.00 O ATOM 595 CB LYS A 42 -8.960 0.322 -4.119 1.00 0.00 C ATOM 596 CG LYS A 42 -8.615 -1.071 -4.617 1.00 0.00 C ATOM 597 CD LYS A 42 -8.686 -2.096 -3.498 1.00 0.00 C ATOM 598 CE LYS A 42 -8.897 -3.501 -4.042 1.00 0.00 C ATOM 599 NZ LYS A 42 -10.330 -3.768 -4.345 1.00 0.00 N ATOM 0 H LYS A 42 -10.379 2.713 -4.398 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.988 1.491 -5.641 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.232 0.619 -3.364 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.933 0.293 -3.629 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.302 -1.354 -5.415 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.613 -1.067 -5.045 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.765 -2.065 -2.915 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.501 -1.841 -2.820 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.304 -3.633 -4.947 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.537 -4.230 -3.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.433 -4.735 -4.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.893 -3.667 -3.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.667 -3.089 -5.057 1.00 0.00 H new ATOM 613 N GLY A 43 -9.686 1.435 -7.549 1.00 0.00 N ATOM 614 CA GLY A 43 -10.518 1.077 -8.683 1.00 0.00 C ATOM 615 C GLY A 43 -11.888 1.724 -8.624 1.00 0.00 C ATOM 616 O GLY A 43 -12.817 1.174 -8.031 1.00 0.00 O ATOM 0 H GLY A 43 -8.927 2.082 -7.762 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.018 1.375 -9.605 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.632 -0.006 -8.718 1.00 0.00 H new ATOM 620 N HIS A 44 -12.015 2.896 -9.239 1.00 0.00 N ATOM 621 CA HIS A 44 -13.281 3.619 -9.252 1.00 0.00 C ATOM 622 C HIS A 44 -14.040 3.411 -7.945 1.00 0.00 C ATOM 623 O HIS A 44 -15.255 3.219 -7.946 1.00 0.00 O ATOM 624 CB HIS A 44 -14.140 3.163 -10.432 1.00 0.00 C ATOM 625 CG HIS A 44 -13.398 3.120 -11.732 1.00 0.00 C ATOM 626 ND1 HIS A 44 -12.732 4.208 -12.254 1.00 0.00 N ATOM 627 CD2 HIS A 44 -13.219 2.111 -12.616 1.00 0.00 C ATOM 628 CE1 HIS A 44 -12.176 3.871 -13.404 1.00 0.00 C ATOM 629 NE2 HIS A 44 -12.456 2.603 -13.646 1.00 0.00 N ATOM 0 H HIS A 44 -11.257 3.365 -9.735 1.00 0.00 H new ATOM 0 HA HIS A 44 -13.063 4.682 -9.359 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -14.539 2.172 -10.218 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -14.992 3.835 -10.532 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -13.605 1.106 -12.528 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -11.592 4.521 -14.038 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -12.154 2.075 -14.465 1.00 0.00 H new ATOM 638 N GLU A 45 -13.313 3.451 -6.832 1.00 0.00 N ATOM 639 CA GLU A 45 -13.919 3.265 -5.519 1.00 0.00 C ATOM 640 C GLU A 45 -13.066 3.911 -4.430 1.00 0.00 C ATOM 641 O GLU A 45 -11.836 3.891 -4.495 1.00 0.00 O ATOM 642 CB GLU A 45 -14.101 1.775 -5.222 1.00 0.00 C ATOM 643 CG GLU A 45 -14.984 1.498 -4.017 1.00 0.00 C ATOM 644 CD GLU A 45 -14.992 0.033 -3.625 1.00 0.00 C ATOM 645 OE1 GLU A 45 -13.909 -0.503 -3.309 1.00 0.00 O ATOM 646 OE2 GLU A 45 -16.081 -0.577 -3.634 1.00 0.00 O ATOM 0 H GLU A 45 -12.306 3.610 -6.814 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.896 3.748 -5.527 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.532 1.289 -6.097 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.123 1.324 -5.056 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.638 2.094 -3.173 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.003 1.817 -4.237 1.00 0.00 H new ATOM 653 N THR A 46 -13.728 4.484 -3.430 1.00 0.00 N ATOM 654 CA THR A 46 -13.033 5.137 -2.328 1.00 0.00 C ATOM 655 C THR A 46 -12.983 4.238 -1.098 1.00 0.00 C ATOM 656 O THR A 46 -14.008 3.714 -0.658 1.00 0.00 O ATOM 657 CB THR A 46 -13.707 6.470 -1.949 1.00 0.00 C ATOM 658 OG1 THR A 46 -13.776 7.327 -3.094 1.00 0.00 O ATOM 659 CG2 THR A 46 -12.941 7.165 -0.834 1.00 0.00 C ATOM 0 H THR A 46 -14.745 4.509 -3.361 1.00 0.00 H new ATOM 0 HA THR A 46 -12.017 5.336 -2.670 1.00 0.00 H new ATOM 0 HB THR A 46 -14.716 6.255 -1.596 1.00 0.00 H new ATOM 0 HG1 THR A 46 -14.207 8.171 -2.845 1.00 0.00 H new ATOM 0 HG21 THR A 46 -13.435 8.104 -0.583 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.916 6.522 0.046 1.00 0.00 H new ATOM 0 HG23 THR A 46 -11.922 7.368 -1.164 1.00 0.00 H new ATOM 667 N LEU A 47 -11.788 4.063 -0.547 1.00 0.00 N ATOM 668 CA LEU A 47 -11.605 3.226 0.634 1.00 0.00 C ATOM 669 C LEU A 47 -12.109 3.936 1.887 1.00 0.00 C ATOM 670 O LEU A 47 -12.109 5.165 1.959 1.00 0.00 O ATOM 671 CB LEU A 47 -10.129 2.859 0.800 1.00 0.00 C ATOM 672 CG LEU A 47 -9.482 2.131 -0.378 1.00 0.00 C ATOM 673 CD1 LEU A 47 -7.976 2.036 -0.185 1.00 0.00 C ATOM 674 CD2 LEU A 47 -10.088 0.745 -0.546 1.00 0.00 C ATOM 0 H LEU A 47 -10.931 4.489 -0.899 1.00 0.00 H new ATOM 0 HA LEU A 47 -12.186 2.314 0.497 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.567 3.774 0.989 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.028 2.234 1.687 1.00 0.00 H new ATOM 0 HG LEU A 47 -9.676 2.703 -1.285 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.533 1.515 -1.033 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.554 3.039 -0.114 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.761 1.487 0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -9.616 0.241 -1.389 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.925 0.164 0.362 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -11.158 0.836 -0.731 1.00 0.00 H new ATOM 686 N ARG A 48 -12.535 3.153 2.873 1.00 0.00 N ATOM 687 CA ARG A 48 -13.040 3.707 4.124 1.00 0.00 C ATOM 688 C ARG A 48 -12.717 2.785 5.296 1.00 0.00 C ATOM 689 O ARG A 48 -12.292 1.645 5.104 1.00 0.00 O ATOM 690 CB ARG A 48 -14.551 3.926 4.035 1.00 0.00 C ATOM 691 CG ARG A 48 -14.953 5.004 3.041 1.00 0.00 C ATOM 692 CD ARG A 48 -16.465 5.099 2.903 1.00 0.00 C ATOM 693 NE ARG A 48 -16.861 5.713 1.639 1.00 0.00 N ATOM 694 CZ ARG A 48 -18.123 5.817 1.237 1.00 0.00 C ATOM 695 NH1 ARG A 48 -19.105 5.350 1.995 1.00 0.00 N ATOM 696 NH2 ARG A 48 -18.405 6.389 0.073 1.00 0.00 N ATOM 0 H ARG A 48 -12.541 2.134 2.830 1.00 0.00 H new ATOM 0 HA ARG A 48 -12.550 4.666 4.293 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -15.030 2.988 3.754 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -14.929 4.194 5.021 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -14.555 5.966 3.365 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -14.511 4.787 2.069 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -16.899 4.102 2.973 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -16.869 5.681 3.731 1.00 0.00 H new ATOM 0 HE ARG A 48 -16.129 6.082 1.032 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -18.893 4.909 2.890 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -20.073 5.432 1.683 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -17.652 6.749 -0.514 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -19.374 6.468 -0.235 1.00 0.00 H new ATOM 710 N ASP A 49 -12.920 3.286 6.509 1.00 0.00 N ATOM 711 CA ASP A 49 -12.651 2.508 7.713 1.00 0.00 C ATOM 712 C ASP A 49 -13.778 1.515 7.981 1.00 0.00 C ATOM 713 O ASP A 49 -14.832 1.882 8.499 1.00 0.00 O ATOM 714 CB ASP A 49 -12.474 3.435 8.916 1.00 0.00 C ATOM 715 CG ASP A 49 -13.768 4.114 9.319 1.00 0.00 C ATOM 716 OD1 ASP A 49 -14.358 4.816 8.472 1.00 0.00 O ATOM 717 OD2 ASP A 49 -14.190 3.945 10.483 1.00 0.00 O ATOM 0 H ASP A 49 -13.270 4.228 6.685 1.00 0.00 H new ATOM 0 HA ASP A 49 -11.728 1.949 7.556 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -12.090 2.861 9.760 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.727 4.193 8.680 1.00 0.00 H new ATOM 722 N GLY A 50 -13.548 0.255 7.624 1.00 0.00 N ATOM 723 CA GLY A 50 -14.553 -0.770 7.834 1.00 0.00 C ATOM 724 C GLY A 50 -14.068 -1.880 8.745 1.00 0.00 C ATOM 725 O GLY A 50 -13.208 -1.661 9.598 1.00 0.00 O ATOM 0 H GLY A 50 -12.684 -0.074 7.193 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -15.446 -0.316 8.263 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -14.842 -1.194 6.872 1.00 0.00 H new ATOM 729 N ASP A 51 -14.622 -3.074 8.567 1.00 0.00 N ATOM 730 CA ASP A 51 -14.241 -4.223 9.381 1.00 0.00 C ATOM 731 C ASP A 51 -12.814 -4.661 9.069 1.00 0.00 C ATOM 732 O ASP A 51 -12.026 -4.933 9.975 1.00 0.00 O ATOM 733 CB ASP A 51 -15.207 -5.385 9.145 1.00 0.00 C ATOM 734 CG ASP A 51 -16.539 -5.180 9.839 1.00 0.00 C ATOM 735 OD1 ASP A 51 -16.601 -5.368 11.072 1.00 0.00 O ATOM 736 OD2 ASP A 51 -17.521 -4.833 9.149 1.00 0.00 O ATOM 0 H ASP A 51 -15.336 -3.272 7.866 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.290 -3.927 10.429 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -15.373 -5.504 8.074 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -14.753 -6.309 9.502 1.00 0.00 H new ATOM 741 N ARG A 52 -12.488 -4.727 7.782 1.00 0.00 N ATOM 742 CA ARG A 52 -11.156 -5.134 7.351 1.00 0.00 C ATOM 743 C ARG A 52 -10.434 -3.983 6.657 1.00 0.00 C ATOM 744 O ARG A 52 -9.879 -4.148 5.570 1.00 0.00 O ATOM 745 CB ARG A 52 -11.248 -6.335 6.407 1.00 0.00 C ATOM 746 CG ARG A 52 -11.233 -7.675 7.124 1.00 0.00 C ATOM 747 CD ARG A 52 -11.694 -8.800 6.212 1.00 0.00 C ATOM 748 NE ARG A 52 -13.139 -8.773 5.997 1.00 0.00 N ATOM 749 CZ ARG A 52 -13.843 -9.830 5.607 1.00 0.00 C ATOM 750 NH1 ARG A 52 -13.240 -10.991 5.392 1.00 0.00 N ATOM 751 NH2 ARG A 52 -15.155 -9.727 5.434 1.00 0.00 N ATOM 0 H ARG A 52 -13.128 -4.504 7.020 1.00 0.00 H new ATOM 0 HA ARG A 52 -10.586 -5.418 8.236 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.163 -6.256 5.821 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -10.415 -6.299 5.704 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -10.225 -7.886 7.483 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -11.880 -7.627 8.000 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -11.183 -8.721 5.252 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -11.410 -9.758 6.647 1.00 0.00 H new ATOM 0 HE ARG A 52 -13.634 -7.895 6.155 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.232 -11.075 5.526 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -13.784 -11.800 5.093 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -15.623 -8.836 5.600 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -15.695 -10.539 5.135 1.00 0.00 H new ATOM 765 N HIS A 53 -10.445 -2.815 7.293 1.00 0.00 N ATOM 766 CA HIS A 53 -9.791 -1.636 6.737 1.00 0.00 C ATOM 767 C HIS A 53 -9.581 -0.574 7.812 1.00 0.00 C ATOM 768 O HIS A 53 -10.337 -0.500 8.781 1.00 0.00 O ATOM 769 CB HIS A 53 -10.620 -1.060 5.589 1.00 0.00 C ATOM 770 CG HIS A 53 -10.662 -1.941 4.379 1.00 0.00 C ATOM 771 ND1 HIS A 53 -11.702 -2.808 4.114 1.00 0.00 N ATOM 772 CD2 HIS A 53 -9.784 -2.086 3.359 1.00 0.00 C ATOM 773 CE1 HIS A 53 -11.461 -3.448 2.984 1.00 0.00 C ATOM 774 NE2 HIS A 53 -10.304 -3.028 2.505 1.00 0.00 N ATOM 0 H HIS A 53 -10.899 -2.660 8.193 1.00 0.00 H new ATOM 0 HA HIS A 53 -8.816 -1.938 6.354 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -11.638 -0.888 5.938 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.211 -0.090 5.308 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.849 -1.559 3.239 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -12.101 -4.189 2.529 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -9.868 -3.351 1.641 1.00 0.00 H new ATOM 783 N SER A 54 -8.551 0.247 7.634 1.00 0.00 N ATOM 784 CA SER A 54 -8.239 1.302 8.591 1.00 0.00 C ATOM 785 C SER A 54 -7.605 2.500 7.891 1.00 0.00 C ATOM 786 O SER A 54 -6.489 2.413 7.375 1.00 0.00 O ATOM 787 CB SER A 54 -7.299 0.774 9.676 1.00 0.00 C ATOM 788 OG SER A 54 -7.976 -0.112 10.551 1.00 0.00 O ATOM 0 H SER A 54 -7.918 0.202 6.835 1.00 0.00 H new ATOM 0 HA SER A 54 -9.171 1.626 9.054 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.457 0.260 9.213 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.889 1.609 10.244 1.00 0.00 H new ATOM 0 HG SER A 54 -8.885 -0.269 10.219 1.00 0.00 H new ATOM 794 N LEU A 55 -8.323 3.617 7.877 1.00 0.00 N ATOM 795 CA LEU A 55 -7.831 4.835 7.241 1.00 0.00 C ATOM 796 C LEU A 55 -7.643 5.947 8.267 1.00 0.00 C ATOM 797 O LEU A 55 -8.614 6.521 8.761 1.00 0.00 O ATOM 798 CB LEU A 55 -8.801 5.291 6.150 1.00 0.00 C ATOM 799 CG LEU A 55 -8.707 4.550 4.816 1.00 0.00 C ATOM 800 CD1 LEU A 55 -9.354 3.178 4.920 1.00 0.00 C ATOM 801 CD2 LEU A 55 -9.356 5.365 3.706 1.00 0.00 C ATOM 0 H LEU A 55 -9.248 3.705 8.298 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.863 4.615 6.790 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.818 5.188 6.529 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.636 6.353 5.966 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.653 4.414 4.572 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.277 2.666 3.961 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.845 2.593 5.686 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.405 3.290 5.188 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.280 4.822 2.764 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.406 5.533 3.944 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.847 6.325 3.614 1.00 0.00 H new ATOM 813 N ARG A 56 -6.387 6.248 8.582 1.00 0.00 N ATOM 814 CA ARG A 56 -6.072 7.293 9.549 1.00 0.00 C ATOM 815 C ARG A 56 -4.732 7.948 9.224 1.00 0.00 C ATOM 816 O ARG A 56 -3.874 7.341 8.584 1.00 0.00 O ATOM 817 CB ARG A 56 -6.038 6.715 10.965 1.00 0.00 C ATOM 818 CG ARG A 56 -5.317 5.380 11.060 1.00 0.00 C ATOM 819 CD ARG A 56 -5.090 4.972 12.508 1.00 0.00 C ATOM 820 NE ARG A 56 -4.060 5.785 13.150 1.00 0.00 N ATOM 821 CZ ARG A 56 -2.757 5.582 12.989 1.00 0.00 C ATOM 822 NH1 ARG A 56 -2.327 4.599 12.211 1.00 0.00 N ATOM 823 NH2 ARG A 56 -1.882 6.365 13.608 1.00 0.00 N ATOM 0 H ARG A 56 -5.572 5.783 8.182 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.852 8.052 9.492 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.551 7.430 11.629 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.060 6.593 11.323 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.901 4.613 10.552 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.359 5.445 10.544 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.024 5.066 13.062 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.800 3.922 12.548 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.358 6.550 13.755 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.997 3.996 11.734 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.326 4.446 12.089 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.210 7.122 14.207 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.882 6.209 13.484 1.00 0.00 H new ATOM 837 N GLN A 57 -4.563 9.189 9.668 1.00 0.00 N ATOM 838 CA GLN A 57 -3.329 9.926 9.423 1.00 0.00 C ATOM 839 C GLN A 57 -2.983 10.819 10.610 1.00 0.00 C ATOM 840 O GLN A 57 -3.860 11.443 11.206 1.00 0.00 O ATOM 841 CB GLN A 57 -3.458 10.771 8.154 1.00 0.00 C ATOM 842 CG GLN A 57 -4.148 12.106 8.381 1.00 0.00 C ATOM 843 CD GLN A 57 -4.254 12.931 7.113 1.00 0.00 C ATOM 844 OE1 GLN A 57 -5.234 12.831 6.374 1.00 0.00 O ATOM 845 NE2 GLN A 57 -3.244 13.752 6.854 1.00 0.00 N ATOM 0 H GLN A 57 -5.265 9.705 10.199 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.524 9.203 9.289 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -2.464 10.950 7.744 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.014 10.206 7.406 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -5.147 11.931 8.781 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.598 12.672 9.133 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.451 13.803 7.494 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.260 14.332 6.015 1.00 0.00 H new ATOM 854 N ASP A 58 -1.699 10.874 10.947 1.00 0.00 N ATOM 855 CA ASP A 58 -1.237 11.691 12.063 1.00 0.00 C ATOM 856 C ASP A 58 -1.139 13.159 11.658 1.00 0.00 C ATOM 857 O ASP A 58 -0.131 13.817 11.910 1.00 0.00 O ATOM 858 CB ASP A 58 0.123 11.195 12.558 1.00 0.00 C ATOM 859 CG ASP A 58 0.462 11.717 13.940 1.00 0.00 C ATOM 860 OD1 ASP A 58 -0.470 11.894 14.753 1.00 0.00 O ATOM 861 OD2 ASP A 58 1.659 11.949 14.209 1.00 0.00 O ATOM 0 H ASP A 58 -0.960 10.363 10.464 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.964 11.602 12.871 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.125 10.105 12.574 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.897 11.505 11.856 1.00 0.00 H new ATOM 866 N GLY A 59 -2.195 13.665 11.027 1.00 0.00 N ATOM 867 CA GLY A 59 -2.207 15.051 10.597 1.00 0.00 C ATOM 868 C GLY A 59 -1.737 15.217 9.165 1.00 0.00 C ATOM 869 O GLY A 59 -2.517 15.587 8.288 1.00 0.00 O ATOM 0 H GLY A 59 -3.041 13.140 10.806 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.217 15.450 10.693 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.568 15.639 11.256 1.00 0.00 H new ATOM 873 N SER A 60 -0.458 14.944 8.929 1.00 0.00 N ATOM 874 CA SER A 60 0.117 15.071 7.594 1.00 0.00 C ATOM 875 C SER A 60 0.514 13.706 7.042 1.00 0.00 C ATOM 876 O SER A 60 0.573 13.508 5.828 1.00 0.00 O ATOM 877 CB SER A 60 1.336 15.995 7.627 1.00 0.00 C ATOM 878 OG SER A 60 1.143 17.062 8.540 1.00 0.00 O ATOM 0 H SER A 60 0.200 14.634 9.644 1.00 0.00 H new ATOM 0 HA SER A 60 -0.639 15.503 6.938 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.221 15.425 7.911 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.521 16.394 6.630 1.00 0.00 H new ATOM 0 HG SER A 60 1.937 17.637 8.544 1.00 0.00 H new ATOM 884 N ARG A 61 0.787 12.767 7.942 1.00 0.00 N ATOM 885 CA ARG A 61 1.180 11.420 7.546 1.00 0.00 C ATOM 886 C ARG A 61 -0.002 10.459 7.639 1.00 0.00 C ATOM 887 O ARG A 61 -0.599 10.295 8.703 1.00 0.00 O ATOM 888 CB ARG A 61 2.327 10.921 8.427 1.00 0.00 C ATOM 889 CG ARG A 61 3.247 9.935 7.727 1.00 0.00 C ATOM 890 CD ARG A 61 4.021 9.089 8.727 1.00 0.00 C ATOM 891 NE ARG A 61 4.322 7.760 8.202 1.00 0.00 N ATOM 892 CZ ARG A 61 5.336 7.014 8.626 1.00 0.00 C ATOM 893 NH1 ARG A 61 6.142 7.466 9.577 1.00 0.00 N ATOM 894 NH2 ARG A 61 5.545 5.815 8.099 1.00 0.00 N ATOM 0 H ARG A 61 0.743 12.914 8.950 1.00 0.00 H new ATOM 0 HA ARG A 61 1.516 11.456 6.510 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.913 11.776 8.764 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.911 10.448 9.317 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.660 9.286 7.077 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.946 10.477 7.089 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.951 9.595 8.987 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.442 8.993 9.646 1.00 0.00 H new ATOM 0 HE ARG A 61 3.720 7.384 7.469 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.984 8.388 9.984 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.920 6.892 9.901 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.927 5.465 7.367 1.00 0.00 H new ATOM 0 HH22 ARG A 61 6.324 5.243 8.425 1.00 0.00 H new ATOM 908 N CYS A 62 -0.334 9.828 6.518 1.00 0.00 N ATOM 909 CA CYS A 62 -1.445 8.885 6.472 1.00 0.00 C ATOM 910 C CYS A 62 -0.937 7.448 6.415 1.00 0.00 C ATOM 911 O CYS A 62 0.187 7.194 5.983 1.00 0.00 O ATOM 912 CB CYS A 62 -2.335 9.172 5.261 1.00 0.00 C ATOM 913 SG CYS A 62 -4.028 8.558 5.428 1.00 0.00 S ATOM 0 H CYS A 62 0.150 9.953 5.629 1.00 0.00 H new ATOM 0 HA CYS A 62 -2.031 9.008 7.383 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -2.365 10.248 5.093 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -1.883 8.723 4.377 1.00 0.00 H new ATOM 0 HG CYS A 62 -4.191 8.051 6.614 1.00 0.00 H new ATOM 919 N GLU A 63 -1.772 6.513 6.857 1.00 0.00 N ATOM 920 CA GLU A 63 -1.404 5.101 6.859 1.00 0.00 C ATOM 921 C GLU A 63 -2.639 4.218 6.705 1.00 0.00 C ATOM 922 O GLU A 63 -3.417 4.049 7.646 1.00 0.00 O ATOM 923 CB GLU A 63 -0.667 4.745 8.151 1.00 0.00 C ATOM 924 CG GLU A 63 0.310 3.591 7.997 1.00 0.00 C ATOM 925 CD GLU A 63 0.791 3.051 9.329 1.00 0.00 C ATOM 926 OE1 GLU A 63 0.912 3.847 10.284 1.00 0.00 O ATOM 927 OE2 GLU A 63 1.047 1.832 9.417 1.00 0.00 O ATOM 0 H GLU A 63 -2.706 6.707 7.218 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.742 4.923 6.011 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.126 5.623 8.504 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.398 4.491 8.918 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.168 2.788 7.435 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.168 3.922 7.412 1.00 0.00 H new ATOM 934 N LEU A 64 -2.813 3.657 5.514 1.00 0.00 N ATOM 935 CA LEU A 64 -3.953 2.791 5.235 1.00 0.00 C ATOM 936 C LEU A 64 -3.619 1.335 5.541 1.00 0.00 C ATOM 937 O LEU A 64 -2.466 0.918 5.436 1.00 0.00 O ATOM 938 CB LEU A 64 -4.380 2.931 3.773 1.00 0.00 C ATOM 939 CG LEU A 64 -5.274 1.819 3.225 1.00 0.00 C ATOM 940 CD1 LEU A 64 -6.712 2.018 3.677 1.00 0.00 C ATOM 941 CD2 LEU A 64 -5.194 1.769 1.706 1.00 0.00 C ATOM 0 H LEU A 64 -2.179 3.786 4.725 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.777 3.099 5.879 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -4.903 3.880 3.658 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.482 2.985 3.157 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.919 0.867 3.620 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.333 1.217 3.277 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.757 2.003 4.766 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.078 2.978 3.312 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.837 0.971 1.334 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.523 2.723 1.293 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.165 1.577 1.402 1.00 0.00 H new ATOM 953 N GLN A 65 -4.635 0.566 5.919 1.00 0.00 N ATOM 954 CA GLN A 65 -4.448 -0.844 6.239 1.00 0.00 C ATOM 955 C GLN A 65 -5.520 -1.700 5.573 1.00 0.00 C ATOM 956 O GLN A 65 -6.709 -1.388 5.641 1.00 0.00 O ATOM 957 CB GLN A 65 -4.480 -1.053 7.754 1.00 0.00 C ATOM 958 CG GLN A 65 -3.786 -2.328 8.207 1.00 0.00 C ATOM 959 CD GLN A 65 -4.244 -2.787 9.577 1.00 0.00 C ATOM 960 OE1 GLN A 65 -5.149 -3.614 9.696 1.00 0.00 O ATOM 961 NE2 GLN A 65 -3.621 -2.252 10.620 1.00 0.00 N ATOM 0 H GLN A 65 -5.596 0.896 6.011 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.474 -1.152 5.857 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.007 -0.200 8.240 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.517 -1.076 8.087 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.976 -3.118 7.481 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.709 -2.164 8.224 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.876 -1.570 10.475 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.887 -2.523 11.567 1.00 0.00 H new ATOM 970 N ILE A 66 -5.091 -2.780 4.928 1.00 0.00 N ATOM 971 CA ILE A 66 -6.015 -3.681 4.250 1.00 0.00 C ATOM 972 C ILE A 66 -5.873 -5.108 4.771 1.00 0.00 C ATOM 973 O ILE A 66 -5.149 -5.920 4.195 1.00 0.00 O ATOM 974 CB ILE A 66 -5.789 -3.678 2.727 1.00 0.00 C ATOM 975 CG1 ILE A 66 -6.036 -2.280 2.156 1.00 0.00 C ATOM 976 CG2 ILE A 66 -6.695 -4.698 2.054 1.00 0.00 C ATOM 977 CD1 ILE A 66 -5.480 -2.090 0.762 1.00 0.00 C ATOM 0 H ILE A 66 -4.110 -3.052 4.861 1.00 0.00 H new ATOM 0 HA ILE A 66 -7.021 -3.318 4.460 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.754 -3.954 2.528 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -7.109 -2.087 2.140 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.589 -1.541 2.821 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -6.523 -4.683 0.978 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.476 -5.692 2.443 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.737 -4.450 2.258 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.692 -1.077 0.421 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.402 -2.251 0.775 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.945 -2.806 0.084 1.00 0.00 H new ATOM 989 N ARG A 67 -6.569 -5.405 5.863 1.00 0.00 N ATOM 990 CA ARG A 67 -6.521 -6.734 6.461 1.00 0.00 C ATOM 991 C ARG A 67 -6.917 -7.802 5.445 1.00 0.00 C ATOM 992 O ARG A 67 -7.660 -7.532 4.503 1.00 0.00 O ATOM 993 CB ARG A 67 -7.448 -6.803 7.676 1.00 0.00 C ATOM 994 CG ARG A 67 -6.767 -6.430 8.983 1.00 0.00 C ATOM 995 CD ARG A 67 -6.146 -7.646 9.654 1.00 0.00 C ATOM 996 NE ARG A 67 -6.117 -7.513 11.108 1.00 0.00 N ATOM 997 CZ ARG A 67 -7.177 -7.707 11.885 1.00 0.00 C ATOM 998 NH1 ARG A 67 -8.343 -8.041 11.350 1.00 0.00 N ATOM 999 NH2 ARG A 67 -7.071 -7.567 13.200 1.00 0.00 N ATOM 0 H ARG A 67 -7.173 -4.744 6.352 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.497 -6.924 6.782 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.295 -6.137 7.514 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -7.849 -7.813 7.760 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.995 -5.684 8.793 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -7.493 -5.973 9.655 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.711 -8.538 9.383 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.131 -7.786 9.282 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.235 -7.257 11.551 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.428 -8.150 10.339 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.155 -8.189 11.949 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -6.175 -7.310 13.615 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -7.885 -7.716 13.796 1.00 0.00 H new ATOM 1013 N GLY A 68 -6.413 -9.016 5.644 1.00 0.00 N ATOM 1014 CA GLY A 68 -6.723 -10.106 4.737 1.00 0.00 C ATOM 1015 C GLY A 68 -6.446 -9.753 3.289 1.00 0.00 C ATOM 1016 O GLY A 68 -7.368 -9.468 2.524 1.00 0.00 O ATOM 0 H GLY A 68 -5.796 -9.264 6.417 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.136 -10.982 5.013 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -7.773 -10.378 4.847 1.00 0.00 H new ATOM 1020 N LEU A 69 -5.173 -9.770 2.912 1.00 0.00 N ATOM 1021 CA LEU A 69 -4.776 -9.447 1.546 1.00 0.00 C ATOM 1022 C LEU A 69 -5.251 -10.522 0.572 1.00 0.00 C ATOM 1023 O LEU A 69 -5.659 -11.607 0.982 1.00 0.00 O ATOM 1024 CB LEU A 69 -3.256 -9.299 1.457 1.00 0.00 C ATOM 1025 CG LEU A 69 -2.703 -7.894 1.697 1.00 0.00 C ATOM 1026 CD1 LEU A 69 -1.186 -7.892 1.594 1.00 0.00 C ATOM 1027 CD2 LEU A 69 -3.308 -6.907 0.708 1.00 0.00 C ATOM 0 H LEU A 69 -4.398 -10.004 3.532 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.244 -8.501 1.272 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.802 -9.975 2.182 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.936 -9.630 0.469 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.978 -7.583 2.705 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.811 -6.883 1.768 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.770 -8.568 2.341 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.888 -8.223 0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.903 -5.912 0.893 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.064 -7.215 -0.309 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.391 -6.887 0.830 1.00 0.00 H new ATOM 1039 N ALA A 70 -5.192 -10.211 -0.719 1.00 0.00 N ATOM 1040 CA ALA A 70 -5.612 -11.151 -1.750 1.00 0.00 C ATOM 1041 C ALA A 70 -4.967 -10.818 -3.092 1.00 0.00 C ATOM 1042 O ALA A 70 -4.264 -9.816 -3.222 1.00 0.00 O ATOM 1043 CB ALA A 70 -7.128 -11.152 -1.877 1.00 0.00 C ATOM 0 H ALA A 70 -4.857 -9.316 -1.075 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.282 -12.147 -1.455 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.428 -11.859 -2.651 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.573 -11.445 -0.926 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.471 -10.153 -2.145 1.00 0.00 H new ATOM 1049 N VAL A 71 -5.209 -11.666 -4.086 1.00 0.00 N ATOM 1050 CA VAL A 71 -4.652 -11.462 -5.418 1.00 0.00 C ATOM 1051 C VAL A 71 -5.409 -10.372 -6.169 1.00 0.00 C ATOM 1052 O VAL A 71 -4.861 -9.721 -7.058 1.00 0.00 O ATOM 1053 CB VAL A 71 -4.688 -12.760 -6.246 1.00 0.00 C ATOM 1054 CG1 VAL A 71 -4.209 -12.500 -7.667 1.00 0.00 C ATOM 1055 CG2 VAL A 71 -3.847 -13.839 -5.581 1.00 0.00 C ATOM 0 H VAL A 71 -5.787 -12.501 -3.994 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.615 -11.154 -5.284 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.719 -13.112 -6.294 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.241 -13.428 -8.237 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.856 -11.761 -8.140 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.186 -12.124 -7.643 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.884 -14.749 -6.179 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.815 -13.498 -5.502 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -4.239 -14.044 -4.585 1.00 0.00 H new ATOM 1065 N VAL A 72 -6.673 -10.178 -5.804 1.00 0.00 N ATOM 1066 CA VAL A 72 -7.505 -9.165 -6.442 1.00 0.00 C ATOM 1067 C VAL A 72 -7.174 -7.772 -5.920 1.00 0.00 C ATOM 1068 O VAL A 72 -7.373 -6.774 -6.613 1.00 0.00 O ATOM 1069 CB VAL A 72 -9.003 -9.444 -6.213 1.00 0.00 C ATOM 1070 CG1 VAL A 72 -9.428 -10.709 -6.943 1.00 0.00 C ATOM 1071 CG2 VAL A 72 -9.303 -9.551 -4.726 1.00 0.00 C ATOM 0 H VAL A 72 -7.142 -10.709 -5.070 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.293 -9.209 -7.510 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.576 -8.610 -6.617 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -10.489 -10.890 -6.770 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -9.250 -10.590 -8.012 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.850 -11.555 -6.571 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.365 -9.748 -4.582 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -8.721 -10.366 -4.295 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -9.038 -8.616 -4.233 1.00 0.00 H new ATOM 1081 N ASP A 73 -6.666 -7.711 -4.694 1.00 0.00 N ATOM 1082 CA ASP A 73 -6.304 -6.440 -4.078 1.00 0.00 C ATOM 1083 C ASP A 73 -5.077 -5.838 -4.755 1.00 0.00 C ATOM 1084 O ASP A 73 -4.963 -4.619 -4.884 1.00 0.00 O ATOM 1085 CB ASP A 73 -6.036 -6.631 -2.584 1.00 0.00 C ATOM 1086 CG ASP A 73 -7.264 -7.102 -1.831 1.00 0.00 C ATOM 1087 OD1 ASP A 73 -8.164 -7.685 -2.470 1.00 0.00 O ATOM 1088 OD2 ASP A 73 -7.326 -6.887 -0.602 1.00 0.00 O ATOM 0 H ASP A 73 -6.496 -8.528 -4.107 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.140 -5.752 -4.204 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.232 -7.355 -2.452 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.690 -5.690 -2.157 1.00 0.00 H new ATOM 1093 N ALA A 74 -4.162 -6.700 -5.185 1.00 0.00 N ATOM 1094 CA ALA A 74 -2.944 -6.253 -5.849 1.00 0.00 C ATOM 1095 C ALA A 74 -3.251 -5.674 -7.226 1.00 0.00 C ATOM 1096 O ALA A 74 -3.482 -6.412 -8.183 1.00 0.00 O ATOM 1097 CB ALA A 74 -1.955 -7.403 -5.967 1.00 0.00 C ATOM 0 H ALA A 74 -4.241 -7.712 -5.085 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.497 -5.465 -5.243 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.050 -7.055 -6.465 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.703 -7.770 -4.972 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.402 -8.209 -6.549 1.00 0.00 H new ATOM 1103 N GLY A 75 -3.252 -4.348 -7.319 1.00 0.00 N ATOM 1104 CA GLY A 75 -3.533 -3.693 -8.583 1.00 0.00 C ATOM 1105 C GLY A 75 -2.920 -2.309 -8.667 1.00 0.00 C ATOM 1106 O GLY A 75 -1.832 -2.138 -9.214 1.00 0.00 O ATOM 0 H GLY A 75 -3.063 -3.715 -6.541 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.151 -4.306 -9.399 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.612 -3.618 -8.718 1.00 0.00 H new ATOM 1110 N GLU A 76 -3.623 -1.318 -8.126 1.00 0.00 N ATOM 1111 CA GLU A 76 -3.141 0.058 -8.145 1.00 0.00 C ATOM 1112 C GLU A 76 -3.990 0.944 -7.238 1.00 0.00 C ATOM 1113 O GLU A 76 -5.173 1.166 -7.499 1.00 0.00 O ATOM 1114 CB GLU A 76 -3.157 0.607 -9.573 1.00 0.00 C ATOM 1115 CG GLU A 76 -2.859 2.095 -9.656 1.00 0.00 C ATOM 1116 CD GLU A 76 -2.243 2.493 -10.983 1.00 0.00 C ATOM 1117 OE1 GLU A 76 -1.307 1.799 -11.434 1.00 0.00 O ATOM 1118 OE2 GLU A 76 -2.695 3.498 -11.571 1.00 0.00 O ATOM 0 H GLU A 76 -4.527 -1.443 -7.670 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.116 0.063 -7.773 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.424 0.064 -10.170 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.134 0.415 -10.016 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.782 2.656 -9.505 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.182 2.372 -8.848 1.00 0.00 H new ATOM 1125 N TYR A 77 -3.378 1.447 -6.172 1.00 0.00 N ATOM 1126 CA TYR A 77 -4.077 2.306 -5.224 1.00 0.00 C ATOM 1127 C TYR A 77 -3.683 3.767 -5.419 1.00 0.00 C ATOM 1128 O TYR A 77 -2.515 4.081 -5.647 1.00 0.00 O ATOM 1129 CB TYR A 77 -3.773 1.872 -3.789 1.00 0.00 C ATOM 1130 CG TYR A 77 -4.307 0.499 -3.446 1.00 0.00 C ATOM 1131 CD1 TYR A 77 -3.798 -0.639 -4.058 1.00 0.00 C ATOM 1132 CD2 TYR A 77 -5.320 0.341 -2.507 1.00 0.00 C ATOM 1133 CE1 TYR A 77 -4.284 -1.895 -3.748 1.00 0.00 C ATOM 1134 CE2 TYR A 77 -5.810 -0.910 -2.190 1.00 0.00 C ATOM 1135 CZ TYR A 77 -5.290 -2.025 -2.813 1.00 0.00 C ATOM 1136 OH TYR A 77 -5.775 -3.274 -2.500 1.00 0.00 O ATOM 0 H TYR A 77 -2.399 1.275 -5.943 1.00 0.00 H new ATOM 0 HA TYR A 77 -5.147 2.209 -5.407 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.694 1.882 -3.636 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -4.199 2.601 -3.100 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -3.009 -0.541 -4.789 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.730 1.212 -2.017 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.879 -2.770 -4.235 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.597 -1.015 -1.458 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.682 -3.865 -3.276 1.00 0.00 H new ATOM 1146 N SER A 78 -4.667 4.656 -5.327 1.00 0.00 N ATOM 1147 CA SER A 78 -4.425 6.084 -5.496 1.00 0.00 C ATOM 1148 C SER A 78 -4.774 6.849 -4.223 1.00 0.00 C ATOM 1149 O SER A 78 -5.683 6.466 -3.485 1.00 0.00 O ATOM 1150 CB SER A 78 -5.243 6.625 -6.671 1.00 0.00 C ATOM 1151 OG SER A 78 -4.891 5.977 -7.880 1.00 0.00 O ATOM 0 H SER A 78 -5.639 4.413 -5.136 1.00 0.00 H new ATOM 0 HA SER A 78 -3.365 6.226 -5.704 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.306 6.482 -6.474 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.078 7.698 -6.769 1.00 0.00 H new ATOM 0 HG SER A 78 -5.429 6.340 -8.614 1.00 0.00 H new ATOM 1157 N CYS A 79 -4.046 7.931 -3.973 1.00 0.00 N ATOM 1158 CA CYS A 79 -4.277 8.751 -2.789 1.00 0.00 C ATOM 1159 C CYS A 79 -4.247 10.234 -3.140 1.00 0.00 C ATOM 1160 O CYS A 79 -3.195 10.785 -3.467 1.00 0.00 O ATOM 1161 CB CYS A 79 -3.226 8.446 -1.720 1.00 0.00 C ATOM 1162 SG CYS A 79 -3.622 9.111 -0.085 1.00 0.00 S ATOM 0 H CYS A 79 -3.291 8.261 -4.574 1.00 0.00 H new ATOM 0 HA CYS A 79 -5.265 8.510 -2.397 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -3.106 7.365 -1.642 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -2.267 8.851 -2.043 1.00 0.00 H new ATOM 0 HG CYS A 79 -2.526 9.467 0.516 1.00 0.00 H new ATOM 1168 N VAL A 80 -5.409 10.877 -3.072 1.00 0.00 N ATOM 1169 CA VAL A 80 -5.516 12.297 -3.384 1.00 0.00 C ATOM 1170 C VAL A 80 -6.179 13.061 -2.243 1.00 0.00 C ATOM 1171 O VAL A 80 -7.246 12.678 -1.762 1.00 0.00 O ATOM 1172 CB VAL A 80 -6.321 12.529 -4.677 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -7.506 11.578 -4.746 1.00 0.00 C ATOM 1174 CG2 VAL A 80 -6.781 13.976 -4.765 1.00 0.00 C ATOM 0 H VAL A 80 -6.289 10.437 -2.804 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.501 12.667 -3.525 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.673 12.326 -5.530 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.063 11.757 -5.666 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.148 10.549 -4.733 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.158 11.746 -3.889 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.348 14.122 -5.684 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.413 14.210 -3.908 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.912 14.635 -4.766 1.00 0.00 H new ATOM 1184 N CYS A 81 -5.539 14.144 -1.814 1.00 0.00 N ATOM 1185 CA CYS A 81 -6.066 14.963 -0.728 1.00 0.00 C ATOM 1186 C CYS A 81 -6.317 16.392 -1.198 1.00 0.00 C ATOM 1187 O CYS A 81 -5.831 17.349 -0.596 1.00 0.00 O ATOM 1188 CB CYS A 81 -5.096 14.965 0.454 1.00 0.00 C ATOM 1189 SG CYS A 81 -3.529 15.804 0.123 1.00 0.00 S ATOM 0 H CYS A 81 -4.655 14.475 -2.201 1.00 0.00 H new ATOM 0 HA CYS A 81 -7.015 14.533 -0.409 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.579 15.444 1.306 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -4.890 13.934 0.743 1.00 0.00 H new ATOM 0 HG CYS A 81 -3.764 16.983 -0.372 1.00 0.00 H new ATOM 1195 N GLY A 82 -7.079 16.530 -2.279 1.00 0.00 N ATOM 1196 CA GLY A 82 -7.379 17.845 -2.813 1.00 0.00 C ATOM 1197 C GLY A 82 -7.299 17.890 -4.326 1.00 0.00 C ATOM 1198 O GLY A 82 -8.264 17.559 -5.014 1.00 0.00 O ATOM 0 H GLY A 82 -7.494 15.754 -2.794 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.379 18.143 -2.496 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.682 18.571 -2.394 1.00 0.00 H new ATOM 1202 N GLN A 83 -6.146 18.301 -4.844 1.00 0.00 N ATOM 1203 CA GLN A 83 -5.945 18.389 -6.285 1.00 0.00 C ATOM 1204 C GLN A 83 -4.926 17.357 -6.757 1.00 0.00 C ATOM 1205 O GLN A 83 -5.096 16.740 -7.809 1.00 0.00 O ATOM 1206 CB GLN A 83 -5.480 19.795 -6.671 1.00 0.00 C ATOM 1207 CG GLN A 83 -6.597 20.826 -6.668 1.00 0.00 C ATOM 1208 CD GLN A 83 -7.596 20.609 -7.787 1.00 0.00 C ATOM 1209 OE1 GLN A 83 -8.334 19.623 -7.794 1.00 0.00 O ATOM 1210 NE2 GLN A 83 -7.625 21.531 -8.742 1.00 0.00 N ATOM 0 H GLN A 83 -5.337 18.578 -4.287 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.898 18.181 -6.773 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -4.700 20.114 -5.979 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -5.031 19.761 -7.664 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -7.117 20.790 -5.710 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.166 21.823 -6.759 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -6.996 22.332 -8.697 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -8.277 21.438 -9.521 1.00 0.00 H new ATOM 1219 N GLU A 84 -3.869 17.174 -5.973 1.00 0.00 N ATOM 1220 CA GLU A 84 -2.822 16.217 -6.312 1.00 0.00 C ATOM 1221 C GLU A 84 -3.286 14.788 -6.048 1.00 0.00 C ATOM 1222 O GLU A 84 -3.827 14.486 -4.984 1.00 0.00 O ATOM 1223 CB GLU A 84 -1.553 16.509 -5.510 1.00 0.00 C ATOM 1224 CG GLU A 84 -0.791 17.730 -5.999 1.00 0.00 C ATOM 1225 CD GLU A 84 -1.658 18.972 -6.062 1.00 0.00 C ATOM 1226 OE1 GLU A 84 -2.067 19.466 -4.990 1.00 0.00 O ATOM 1227 OE2 GLU A 84 -1.927 19.451 -7.183 1.00 0.00 O ATOM 0 H GLU A 84 -3.715 17.676 -5.098 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.602 16.319 -7.375 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.820 16.653 -4.463 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.897 15.640 -5.555 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.055 17.915 -5.337 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.382 17.526 -6.989 1.00 0.00 H new ATOM 1234 N ARG A 85 -3.071 13.912 -7.024 1.00 0.00 N ATOM 1235 CA ARG A 85 -3.468 12.515 -6.899 1.00 0.00 C ATOM 1236 C ARG A 85 -2.336 11.587 -7.329 1.00 0.00 C ATOM 1237 O ARG A 85 -1.929 11.583 -8.492 1.00 0.00 O ATOM 1238 CB ARG A 85 -4.715 12.240 -7.741 1.00 0.00 C ATOM 1239 CG ARG A 85 -5.228 10.813 -7.622 1.00 0.00 C ATOM 1240 CD ARG A 85 -6.384 10.556 -8.576 1.00 0.00 C ATOM 1241 NE ARG A 85 -6.052 10.924 -9.950 1.00 0.00 N ATOM 1242 CZ ARG A 85 -6.192 12.152 -10.436 1.00 0.00 C ATOM 1243 NH1 ARG A 85 -6.654 13.125 -9.664 1.00 0.00 N ATOM 1244 NH2 ARG A 85 -5.869 12.409 -11.697 1.00 0.00 N ATOM 0 H ARG A 85 -2.624 14.145 -7.911 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.695 12.321 -5.851 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -5.505 12.928 -7.440 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -4.491 12.451 -8.787 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -4.418 10.115 -7.834 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.551 10.625 -6.598 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -6.657 9.501 -8.539 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -7.256 11.123 -8.250 1.00 0.00 H new ATOM 0 HE ARG A 85 -5.693 10.198 -10.570 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -6.903 12.932 -8.694 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -6.761 14.067 -10.040 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -5.513 11.663 -12.294 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -5.977 13.353 -12.069 1.00 0.00 H new ATOM 1258 N THR A 86 -1.830 10.802 -6.383 1.00 0.00 N ATOM 1259 CA THR A 86 -0.744 9.871 -6.663 1.00 0.00 C ATOM 1260 C THR A 86 -1.277 8.470 -6.938 1.00 0.00 C ATOM 1261 O THR A 86 -2.480 8.225 -6.849 1.00 0.00 O ATOM 1262 CB THR A 86 0.257 9.807 -5.494 1.00 0.00 C ATOM 1263 OG1 THR A 86 1.428 9.083 -5.890 1.00 0.00 O ATOM 1264 CG2 THR A 86 -0.372 9.139 -4.280 1.00 0.00 C ATOM 0 H THR A 86 -2.155 10.793 -5.416 1.00 0.00 H new ATOM 0 HA THR A 86 -0.231 10.242 -7.551 1.00 0.00 H new ATOM 0 HB THR A 86 0.535 10.826 -5.226 1.00 0.00 H new ATOM 0 HG1 THR A 86 2.060 9.048 -5.142 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.353 9.105 -3.467 1.00 0.00 H new ATOM 0 HG22 THR A 86 -1.246 9.709 -3.963 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.675 8.124 -4.539 1.00 0.00 H new ATOM 1272 N SER A 87 -0.375 7.552 -7.272 1.00 0.00 N ATOM 1273 CA SER A 87 -0.756 6.175 -7.562 1.00 0.00 C ATOM 1274 C SER A 87 0.399 5.220 -7.278 1.00 0.00 C ATOM 1275 O SER A 87 1.564 5.617 -7.292 1.00 0.00 O ATOM 1276 CB SER A 87 -1.195 6.042 -9.022 1.00 0.00 C ATOM 1277 OG SER A 87 -0.198 6.532 -9.901 1.00 0.00 O ATOM 0 H SER A 87 0.625 7.738 -7.348 1.00 0.00 H new ATOM 0 HA SER A 87 -1.591 5.911 -6.913 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.402 4.996 -9.249 1.00 0.00 H new ATOM 0 HB3 SER A 87 -2.123 6.592 -9.177 1.00 0.00 H new ATOM 0 HG SER A 87 -0.502 6.434 -10.828 1.00 0.00 H new ATOM 1283 N ALA A 88 0.067 3.959 -7.021 1.00 0.00 N ATOM 1284 CA ALA A 88 1.076 2.947 -6.736 1.00 0.00 C ATOM 1285 C ALA A 88 0.520 1.543 -6.949 1.00 0.00 C ATOM 1286 O ALA A 88 -0.645 1.273 -6.654 1.00 0.00 O ATOM 1287 CB ALA A 88 1.591 3.101 -5.313 1.00 0.00 C ATOM 0 H ALA A 88 -0.893 3.614 -7.004 1.00 0.00 H new ATOM 0 HA ALA A 88 1.905 3.091 -7.429 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.344 2.338 -5.114 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.034 4.089 -5.191 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.764 2.986 -4.612 1.00 0.00 H new ATOM 1293 N THR A 89 1.360 0.651 -7.465 1.00 0.00 N ATOM 1294 CA THR A 89 0.952 -0.725 -7.721 1.00 0.00 C ATOM 1295 C THR A 89 1.204 -1.608 -6.504 1.00 0.00 C ATOM 1296 O THR A 89 2.248 -1.510 -5.858 1.00 0.00 O ATOM 1297 CB THR A 89 1.696 -1.316 -8.932 1.00 0.00 C ATOM 1298 OG1 THR A 89 1.390 -0.562 -10.111 1.00 0.00 O ATOM 1299 CG2 THR A 89 1.315 -2.774 -9.143 1.00 0.00 C ATOM 0 H THR A 89 2.327 0.857 -7.714 1.00 0.00 H new ATOM 0 HA THR A 89 -0.116 -0.703 -7.936 1.00 0.00 H new ATOM 0 HB THR A 89 2.767 -1.262 -8.734 1.00 0.00 H new ATOM 0 HG1 THR A 89 1.869 -0.943 -10.877 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.853 -3.170 -10.004 1.00 0.00 H new ATOM 0 HG22 THR A 89 1.576 -3.350 -8.256 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.242 -2.848 -9.321 1.00 0.00 H new ATOM 1307 N LEU A 90 0.241 -2.470 -6.195 1.00 0.00 N ATOM 1308 CA LEU A 90 0.359 -3.372 -5.054 1.00 0.00 C ATOM 1309 C LEU A 90 0.467 -4.822 -5.516 1.00 0.00 C ATOM 1310 O LEU A 90 -0.367 -5.305 -6.281 1.00 0.00 O ATOM 1311 CB LEU A 90 -0.844 -3.209 -4.124 1.00 0.00 C ATOM 1312 CG LEU A 90 -0.774 -3.967 -2.798 1.00 0.00 C ATOM 1313 CD1 LEU A 90 -1.547 -3.226 -1.718 1.00 0.00 C ATOM 1314 CD2 LEU A 90 -1.310 -5.382 -2.964 1.00 0.00 C ATOM 0 H LEU A 90 -0.630 -2.563 -6.718 1.00 0.00 H new ATOM 0 HA LEU A 90 1.268 -3.115 -4.510 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.969 -2.148 -3.907 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.737 -3.533 -4.658 1.00 0.00 H new ATOM 0 HG LEU A 90 0.270 -4.029 -2.491 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.486 -3.780 -0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.119 -2.233 -1.580 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.591 -3.133 -2.017 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.253 -5.907 -2.010 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.348 -5.341 -3.294 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.714 -5.912 -3.707 1.00 0.00 H new ATOM 1326 N THR A 91 1.501 -5.512 -5.043 1.00 0.00 N ATOM 1327 CA THR A 91 1.718 -6.907 -5.406 1.00 0.00 C ATOM 1328 C THR A 91 1.300 -7.840 -4.276 1.00 0.00 C ATOM 1329 O THR A 91 1.522 -7.548 -3.101 1.00 0.00 O ATOM 1330 CB THR A 91 3.194 -7.173 -5.756 1.00 0.00 C ATOM 1331 OG1 THR A 91 3.603 -6.321 -6.832 1.00 0.00 O ATOM 1332 CG2 THR A 91 3.404 -8.628 -6.147 1.00 0.00 C ATOM 0 H THR A 91 2.201 -5.127 -4.408 1.00 0.00 H new ATOM 0 HA THR A 91 1.103 -7.105 -6.284 1.00 0.00 H new ATOM 0 HB THR A 91 3.798 -6.960 -4.874 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.543 -6.495 -7.048 1.00 0.00 H new ATOM 0 HG21 THR A 91 4.454 -8.792 -6.390 1.00 0.00 H new ATOM 0 HG22 THR A 91 3.119 -9.273 -5.316 1.00 0.00 H new ATOM 0 HG23 THR A 91 2.790 -8.864 -7.016 1.00 0.00 H new ATOM 1340 N VAL A 92 0.693 -8.966 -4.638 1.00 0.00 N ATOM 1341 CA VAL A 92 0.245 -9.944 -3.654 1.00 0.00 C ATOM 1342 C VAL A 92 0.555 -11.365 -4.111 1.00 0.00 C ATOM 1343 O VAL A 92 -0.109 -11.902 -4.998 1.00 0.00 O ATOM 1344 CB VAL A 92 -1.267 -9.821 -3.388 1.00 0.00 C ATOM 1345 CG1 VAL A 92 -1.716 -10.856 -2.368 1.00 0.00 C ATOM 1346 CG2 VAL A 92 -1.612 -8.415 -2.920 1.00 0.00 C ATOM 0 H VAL A 92 0.500 -9.223 -5.606 1.00 0.00 H new ATOM 0 HA VAL A 92 0.787 -9.735 -2.732 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.799 -10.010 -4.320 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.787 -10.754 -2.193 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.504 -11.856 -2.747 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.179 -10.701 -1.432 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.684 -8.345 -2.737 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.071 -8.195 -1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.328 -7.696 -3.688 1.00 0.00 H new ATOM 1356 N ARG A 93 1.568 -11.970 -3.499 1.00 0.00 N ATOM 1357 CA ARG A 93 1.967 -13.329 -3.843 1.00 0.00 C ATOM 1358 C ARG A 93 0.976 -14.345 -3.283 1.00 0.00 C ATOM 1359 O ARG A 93 0.867 -14.516 -2.069 1.00 0.00 O ATOM 1360 CB ARG A 93 3.371 -13.622 -3.310 1.00 0.00 C ATOM 1361 CG ARG A 93 4.359 -12.491 -3.543 1.00 0.00 C ATOM 1362 CD ARG A 93 5.077 -12.645 -4.875 1.00 0.00 C ATOM 1363 NE ARG A 93 5.980 -13.793 -4.881 1.00 0.00 N ATOM 1364 CZ ARG A 93 6.615 -14.223 -5.966 1.00 0.00 C ATOM 1365 NH1 ARG A 93 6.447 -13.603 -7.125 1.00 0.00 N ATOM 1366 NH2 ARG A 93 7.420 -15.275 -5.891 1.00 0.00 N ATOM 0 H ARG A 93 2.127 -11.540 -2.762 1.00 0.00 H new ATOM 0 HA ARG A 93 1.973 -13.415 -4.930 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.310 -13.825 -2.241 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.749 -14.527 -3.785 1.00 0.00 H new ATOM 0 HG2 ARG A 93 3.833 -11.536 -3.520 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.090 -12.472 -2.734 1.00 0.00 H new ATOM 0 HD2 ARG A 93 4.342 -12.758 -5.672 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.642 -11.738 -5.089 1.00 0.00 H new ATOM 0 HE ARG A 93 6.131 -14.292 -4.004 1.00 0.00 H new ATOM 0 HH11 ARG A 93 5.829 -12.794 -7.186 1.00 0.00 H new ATOM 0 HH12 ARG A 93 6.936 -13.935 -7.957 1.00 0.00 H new ATOM 0 HH21 ARG A 93 7.552 -15.754 -5.000 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.907 -15.605 -6.724 1.00 0.00 H new ATOM 1380 N ALA A 94 0.257 -15.017 -4.176 1.00 0.00 N ATOM 1381 CA ALA A 94 -0.724 -16.017 -3.771 1.00 0.00 C ATOM 1382 C ALA A 94 -0.071 -17.126 -2.953 1.00 0.00 C ATOM 1383 O ALA A 94 0.915 -17.727 -3.380 1.00 0.00 O ATOM 1384 CB ALA A 94 -1.420 -16.598 -4.993 1.00 0.00 C ATOM 0 H ALA A 94 0.335 -14.887 -5.185 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.468 -15.528 -3.142 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.150 -17.343 -4.676 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.928 -15.801 -5.536 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.682 -17.067 -5.644 1.00 0.00 H new ATOM 1390 N LEU A 95 -0.627 -17.391 -1.776 1.00 0.00 N ATOM 1391 CA LEU A 95 -0.098 -18.429 -0.897 1.00 0.00 C ATOM 1392 C LEU A 95 -0.129 -19.791 -1.583 1.00 0.00 C ATOM 1393 O LEU A 95 -0.976 -20.067 -2.433 1.00 0.00 O ATOM 1394 CB LEU A 95 -0.902 -18.481 0.403 1.00 0.00 C ATOM 1395 CG LEU A 95 -0.711 -17.302 1.358 1.00 0.00 C ATOM 1396 CD1 LEU A 95 -1.855 -17.235 2.358 1.00 0.00 C ATOM 1397 CD2 LEU A 95 0.624 -17.411 2.079 1.00 0.00 C ATOM 0 H LEU A 95 -1.443 -16.902 -1.408 1.00 0.00 H new ATOM 0 HA LEU A 95 0.939 -18.183 -0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.960 -18.550 0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.640 -19.397 0.932 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.712 -16.382 0.774 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.702 -16.390 3.029 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.797 -17.109 1.825 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.886 -18.158 2.937 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.743 -16.564 2.754 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.654 -18.338 2.651 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.433 -17.409 1.349 1.00 0.00 H new ATOM 1409 N PRO A 96 0.815 -20.666 -1.204 1.00 0.00 N ATOM 1410 CA PRO A 96 0.915 -22.015 -1.768 1.00 0.00 C ATOM 1411 C PRO A 96 -0.234 -22.915 -1.327 1.00 0.00 C ATOM 1412 O PRO A 96 -0.956 -22.598 -0.382 1.00 0.00 O ATOM 1413 CB PRO A 96 2.244 -22.534 -1.212 1.00 0.00 C ATOM 1414 CG PRO A 96 2.455 -21.763 0.045 1.00 0.00 C ATOM 1415 CD PRO A 96 1.856 -20.405 -0.196 1.00 0.00 C ATOM 0 HA PRO A 96 0.867 -22.006 -2.857 1.00 0.00 H new ATOM 0 HB2 PRO A 96 2.200 -23.605 -1.017 1.00 0.00 H new ATOM 0 HB3 PRO A 96 3.059 -22.372 -1.918 1.00 0.00 H new ATOM 0 HG2 PRO A 96 1.976 -22.256 0.890 1.00 0.00 H new ATOM 0 HG3 PRO A 96 3.516 -21.685 0.281 1.00 0.00 H new ATOM 0 HD2 PRO A 96 1.435 -19.984 0.717 1.00 0.00 H new ATOM 0 HD3 PRO A 96 2.600 -19.697 -0.561 1.00 0.00 H new ATOM 1423 N ALA A 97 -0.399 -24.038 -2.017 1.00 0.00 N ATOM 1424 CA ALA A 97 -1.459 -24.985 -1.695 1.00 0.00 C ATOM 1425 C ALA A 97 -0.885 -26.353 -1.343 1.00 0.00 C ATOM 1426 O ALA A 97 -0.411 -27.081 -2.216 1.00 0.00 O ATOM 1427 CB ALA A 97 -2.434 -25.102 -2.858 1.00 0.00 C ATOM 0 H ALA A 97 0.189 -24.315 -2.804 1.00 0.00 H new ATOM 0 HA ALA A 97 -1.995 -24.610 -0.823 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.220 -25.813 -2.603 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.878 -24.127 -3.060 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.903 -25.450 -3.744 1.00 0.00 H new ATOM 1433 N ARG A 98 -0.931 -26.697 -0.060 1.00 0.00 N ATOM 1434 CA ARG A 98 -0.414 -27.978 0.407 1.00 0.00 C ATOM 1435 C ARG A 98 -0.812 -29.104 -0.544 1.00 0.00 C ATOM 1436 O ARG A 98 -1.944 -29.154 -1.023 1.00 0.00 O ATOM 1437 CB ARG A 98 -0.931 -28.278 1.815 1.00 0.00 C ATOM 1438 CG ARG A 98 -0.154 -27.570 2.913 1.00 0.00 C ATOM 1439 CD ARG A 98 -0.740 -27.859 4.286 1.00 0.00 C ATOM 1440 NE ARG A 98 -0.287 -26.899 5.288 1.00 0.00 N ATOM 1441 CZ ARG A 98 -0.527 -27.025 6.588 1.00 0.00 C ATOM 1442 NH1 ARG A 98 -1.213 -28.066 7.041 1.00 0.00 N ATOM 1443 NH2 ARG A 98 -0.081 -26.109 7.439 1.00 0.00 N ATOM 0 H ARG A 98 -1.321 -26.107 0.675 1.00 0.00 H new ATOM 0 HA ARG A 98 0.674 -27.915 0.433 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -1.979 -27.986 1.878 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -0.888 -29.353 1.987 1.00 0.00 H new ATOM 0 HG2 ARG A 98 0.888 -27.889 2.887 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -0.163 -26.495 2.731 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -1.828 -27.836 4.228 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -0.459 -28.866 4.595 1.00 0.00 H new ATOM 0 HE ARG A 98 0.243 -26.087 4.972 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -1.557 -28.772 6.390 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -1.396 -28.161 8.040 1.00 0.00 H new ATOM 0 HH21 ARG A 98 0.447 -25.307 7.095 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -0.266 -26.207 8.437 1.00 0.00 H new ATOM 1457 N PHE A 99 0.128 -30.004 -0.812 1.00 0.00 N ATOM 1458 CA PHE A 99 -0.123 -31.128 -1.706 1.00 0.00 C ATOM 1459 C PHE A 99 0.238 -32.449 -1.033 1.00 0.00 C ATOM 1460 O PHE A 99 1.127 -32.503 -0.183 1.00 0.00 O ATOM 1461 CB PHE A 99 0.677 -30.967 -3.000 1.00 0.00 C ATOM 1462 CG PHE A 99 2.164 -31.036 -2.798 1.00 0.00 C ATOM 1463 CD1 PHE A 99 2.887 -29.897 -2.483 1.00 0.00 C ATOM 1464 CD2 PHE A 99 2.839 -32.240 -2.923 1.00 0.00 C ATOM 1465 CE1 PHE A 99 4.255 -29.956 -2.296 1.00 0.00 C ATOM 1466 CE2 PHE A 99 4.207 -32.305 -2.737 1.00 0.00 C ATOM 1467 CZ PHE A 99 4.916 -31.162 -2.424 1.00 0.00 C ATOM 0 H PHE A 99 1.070 -29.977 -0.423 1.00 0.00 H new ATOM 0 HA PHE A 99 -1.187 -31.140 -1.944 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.377 -31.745 -3.702 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.424 -30.010 -3.457 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.375 -28.951 -2.382 1.00 0.00 H new ATOM 0 HD2 PHE A 99 2.290 -33.137 -3.168 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.806 -29.060 -2.050 1.00 0.00 H new ATOM 0 HE2 PHE A 99 4.721 -33.249 -2.836 1.00 0.00 H new ATOM 0 HZ PHE A 99 5.985 -31.211 -2.280 1.00 0.00 H new ATOM 1477 N ILE A 100 -0.460 -33.513 -1.418 1.00 0.00 N ATOM 1478 CA ILE A 100 -0.213 -34.833 -0.853 1.00 0.00 C ATOM 1479 C ILE A 100 0.813 -35.602 -1.678 1.00 0.00 C ATOM 1480 O ILE A 100 0.921 -35.408 -2.889 1.00 0.00 O ATOM 1481 CB ILE A 100 -1.510 -35.660 -0.768 1.00 0.00 C ATOM 1482 CG1 ILE A 100 -2.099 -35.871 -2.164 1.00 0.00 C ATOM 1483 CG2 ILE A 100 -2.519 -34.972 0.140 1.00 0.00 C ATOM 1484 CD1 ILE A 100 -3.075 -37.024 -2.241 1.00 0.00 C ATOM 0 H ILE A 100 -1.201 -33.486 -2.119 1.00 0.00 H new ATOM 0 HA ILE A 100 0.177 -34.677 0.153 1.00 0.00 H new ATOM 0 HB ILE A 100 -1.274 -36.635 -0.343 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.603 -34.957 -2.478 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.287 -36.046 -2.869 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -3.430 -35.569 0.190 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.098 -34.869 1.140 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.753 -33.985 -0.258 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.452 -37.114 -3.260 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.570 -37.948 -1.958 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.907 -36.842 -1.561 1.00 0.00 H new ATOM 1496 N GLU A 101 1.564 -36.475 -1.015 1.00 0.00 N ATOM 1497 CA GLU A 101 2.581 -37.274 -1.688 1.00 0.00 C ATOM 1498 C GLU A 101 2.296 -38.765 -1.529 1.00 0.00 C ATOM 1499 O GLU A 101 2.459 -39.326 -0.446 1.00 0.00 O ATOM 1500 CB GLU A 101 3.969 -36.947 -1.132 1.00 0.00 C ATOM 1501 CG GLU A 101 5.107 -37.431 -2.014 1.00 0.00 C ATOM 1502 CD GLU A 101 6.471 -37.161 -1.407 1.00 0.00 C ATOM 1503 OE1 GLU A 101 6.756 -37.710 -0.322 1.00 0.00 O ATOM 1504 OE2 GLU A 101 7.252 -36.401 -2.017 1.00 0.00 O ATOM 0 H GLU A 101 1.487 -36.647 -0.013 1.00 0.00 H new ATOM 0 HA GLU A 101 2.555 -37.028 -2.750 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.054 -35.868 -1.003 1.00 0.00 H new ATOM 0 HB3 GLU A 101 4.070 -37.396 -0.144 1.00 0.00 H new ATOM 0 HG2 GLU A 101 4.997 -38.501 -2.189 1.00 0.00 H new ATOM 0 HG3 GLU A 101 5.042 -36.941 -2.986 1.00 0.00 H new ATOM 1511 N SER A 102 1.870 -39.399 -2.616 1.00 0.00 N ATOM 1512 CA SER A 102 1.558 -40.823 -2.598 1.00 0.00 C ATOM 1513 C SER A 102 1.858 -41.463 -3.949 1.00 0.00 C ATOM 1514 O SER A 102 2.120 -40.771 -4.932 1.00 0.00 O ATOM 1515 CB SER A 102 0.088 -41.040 -2.234 1.00 0.00 C ATOM 1516 OG SER A 102 -0.097 -41.030 -0.829 1.00 0.00 O ATOM 0 H SER A 102 1.733 -38.949 -3.521 1.00 0.00 H new ATOM 0 HA SER A 102 2.186 -41.297 -1.844 1.00 0.00 H new ATOM 0 HB2 SER A 102 -0.522 -40.260 -2.690 1.00 0.00 H new ATOM 0 HB3 SER A 102 -0.254 -41.991 -2.642 1.00 0.00 H new ATOM 0 HG SER A 102 0.652 -40.562 -0.404 1.00 0.00 H new ATOM 1522 N GLY A 103 1.819 -42.792 -3.990 1.00 0.00 N ATOM 1523 CA GLY A 103 2.090 -43.504 -5.225 1.00 0.00 C ATOM 1524 C GLY A 103 3.511 -44.026 -5.294 1.00 0.00 C ATOM 1525 O GLY A 103 4.358 -43.489 -6.008 1.00 0.00 O ATOM 0 H GLY A 103 1.605 -43.388 -3.190 1.00 0.00 H new ATOM 0 HA2 GLY A 103 1.395 -44.338 -5.320 1.00 0.00 H new ATOM 0 HA3 GLY A 103 1.909 -42.840 -6.071 1.00 0.00 H new ATOM 1529 N PRO A 104 3.790 -45.097 -4.537 1.00 0.00 N ATOM 1530 CA PRO A 104 5.119 -45.715 -4.498 1.00 0.00 C ATOM 1531 C PRO A 104 5.468 -46.423 -5.802 1.00 0.00 C ATOM 1532 O PRO A 104 4.599 -46.669 -6.638 1.00 0.00 O ATOM 1533 CB PRO A 104 5.007 -46.725 -3.354 1.00 0.00 C ATOM 1534 CG PRO A 104 3.555 -47.048 -3.274 1.00 0.00 C ATOM 1535 CD PRO A 104 2.829 -45.789 -3.662 1.00 0.00 C ATOM 0 HA PRO A 104 5.908 -44.976 -4.357 1.00 0.00 H new ATOM 0 HB2 PRO A 104 5.600 -47.617 -3.554 1.00 0.00 H new ATOM 0 HB3 PRO A 104 5.371 -46.304 -2.417 1.00 0.00 H new ATOM 0 HG2 PRO A 104 3.300 -47.868 -3.945 1.00 0.00 H new ATOM 0 HG3 PRO A 104 3.280 -47.363 -2.267 1.00 0.00 H new ATOM 0 HD2 PRO A 104 1.896 -46.007 -4.182 1.00 0.00 H new ATOM 0 HD3 PRO A 104 2.574 -45.187 -2.790 1.00 0.00 H new ATOM 1543 N SER A 105 6.746 -46.749 -5.969 1.00 0.00 N ATOM 1544 CA SER A 105 7.211 -47.427 -7.174 1.00 0.00 C ATOM 1545 C SER A 105 8.195 -48.539 -6.826 1.00 0.00 C ATOM 1546 O SER A 105 8.827 -48.516 -5.770 1.00 0.00 O ATOM 1547 CB SER A 105 7.869 -46.426 -8.125 1.00 0.00 C ATOM 1548 OG SER A 105 9.004 -45.824 -7.527 1.00 0.00 O ATOM 0 H SER A 105 7.478 -46.555 -5.285 1.00 0.00 H new ATOM 0 HA SER A 105 6.347 -47.872 -7.668 1.00 0.00 H new ATOM 0 HB2 SER A 105 8.164 -46.933 -9.044 1.00 0.00 H new ATOM 0 HB3 SER A 105 7.149 -45.656 -8.403 1.00 0.00 H new ATOM 0 HG SER A 105 9.407 -45.190 -8.156 1.00 0.00 H new ATOM 1554 N SER A 106 8.319 -49.513 -7.722 1.00 0.00 N ATOM 1555 CA SER A 106 9.223 -50.637 -7.510 1.00 0.00 C ATOM 1556 C SER A 106 10.347 -50.633 -8.542 1.00 0.00 C ATOM 1557 O SER A 106 10.179 -50.142 -9.657 1.00 0.00 O ATOM 1558 CB SER A 106 8.455 -51.958 -7.581 1.00 0.00 C ATOM 1559 OG SER A 106 7.686 -52.164 -6.408 1.00 0.00 O ATOM 0 H SER A 106 7.804 -49.546 -8.602 1.00 0.00 H new ATOM 0 HA SER A 106 9.663 -50.534 -6.518 1.00 0.00 H new ATOM 0 HB2 SER A 106 7.801 -51.956 -8.453 1.00 0.00 H new ATOM 0 HB3 SER A 106 9.155 -52.783 -7.710 1.00 0.00 H new ATOM 0 HG SER A 106 7.203 -53.014 -6.478 1.00 0.00 H new ATOM 1565 N GLY A 107 11.495 -51.186 -8.161 1.00 0.00 N ATOM 1566 CA GLY A 107 12.630 -51.236 -9.064 1.00 0.00 C ATOM 1567 C GLY A 107 13.807 -50.425 -8.560 1.00 0.00 C ATOM 1568 O GLY A 107 14.925 -50.570 -9.054 1.00 0.00 O ATOM 0 H GLY A 107 11.659 -51.600 -7.243 1.00 0.00 H new ATOM 0 HA2 GLY A 107 12.938 -52.273 -9.199 1.00 0.00 H new ATOM 0 HA3 GLY A 107 12.328 -50.863 -10.043 1.00 0.00 H new TER 1572 GLY A 107