USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 551 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 56 HIS : no HE2:sc= -22.1! C(o=-27!,f=-24!) USER MOD Set 1.2: A 58 TYR OH : rot 15:sc= -4.51! USER MOD Set 2.1: A 14 HIS : no HE2:sc= -3.47! C(o=-5!,f=-4.8!) USER MOD Set 2.2: A 21 GLN : amide:sc= -1.55 K(o=-5,f=-9!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 60:sc= 1.32 USER MOD Single : A 26 HIS : no HD1:sc= -13.7! C(o=-14!,f=-12!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -74:sc= 1.62 USER MOD Single : A 44 SER OG : rot -5:sc= 0.384! USER MOD Single : A 55 SER OG : rot 180:sc= -0.0281 USER MOD Single : A 64 TYR OH : rot 165:sc= -1.05 USER MOD Single : A 65 HIS : no HE2:sc= -1.39 X(o=-1.4,f=-1.5) USER MOD Single : A 67 THR OG1 : rot 180:sc= -1.57! USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 120:sc= -1.39 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 8 -5.479 9.922 -9.474 1.00 0.00 N ATOM 2 CA ALA A 8 -4.615 9.621 -10.649 1.00 0.00 C ATOM 3 C ALA A 8 -5.101 8.335 -11.317 1.00 0.00 C ATOM 4 O ALA A 8 -6.066 7.732 -10.894 1.00 0.00 O ATOM 5 CB ALA A 8 -3.175 9.444 -10.172 1.00 0.00 C ATOM 0 HA ALA A 8 -4.663 10.439 -11.368 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -2.534 9.223 -11.025 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -2.836 10.361 -9.691 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.126 8.621 -9.459 1.00 0.00 H new ATOM 11 N THR A 9 -4.436 7.910 -12.352 1.00 0.00 N ATOM 12 CA THR A 9 -4.850 6.666 -13.040 1.00 0.00 C ATOM 13 C THR A 9 -4.121 5.504 -12.396 1.00 0.00 C ATOM 14 O THR A 9 -2.969 5.620 -12.005 1.00 0.00 O ATOM 15 CB THR A 9 -4.507 6.752 -14.527 1.00 0.00 C ATOM 16 OG1 THR A 9 -5.574 6.204 -15.287 1.00 0.00 O ATOM 17 CG2 THR A 9 -3.224 5.976 -14.819 1.00 0.00 C ATOM 0 H THR A 9 -3.620 8.375 -12.750 1.00 0.00 H new ATOM 0 HA THR A 9 -5.927 6.524 -12.949 1.00 0.00 H new ATOM 0 HB THR A 9 -4.357 7.797 -14.798 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.358 6.259 -16.241 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.991 6.045 -15.882 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.403 6.398 -14.239 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.361 4.930 -14.545 1.00 0.00 H new ATOM 25 N LEU A 10 -4.804 4.403 -12.255 1.00 0.00 N ATOM 26 CA LEU A 10 -4.212 3.208 -11.602 1.00 0.00 C ATOM 27 C LEU A 10 -3.704 2.237 -12.667 1.00 0.00 C ATOM 28 O LEU A 10 -4.462 1.460 -13.212 1.00 0.00 O ATOM 29 CB LEU A 10 -5.301 2.501 -10.783 1.00 0.00 C ATOM 30 CG LEU A 10 -5.729 3.362 -9.590 1.00 0.00 C ATOM 31 CD1 LEU A 10 -6.279 4.709 -10.068 1.00 0.00 C ATOM 32 CD2 LEU A 10 -6.818 2.627 -8.805 1.00 0.00 C ATOM 0 H LEU A 10 -5.766 4.281 -12.572 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.387 3.518 -10.960 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.163 2.295 -11.417 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.929 1.539 -10.429 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.861 3.540 -8.956 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.578 5.306 -9.207 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.508 5.239 -10.627 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.143 4.542 -10.711 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.127 3.235 -7.955 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.676 2.448 -9.453 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.428 1.674 -8.447 1.00 0.00 H new ATOM 44 N VAL A 11 -2.437 2.256 -12.967 1.00 0.00 N ATOM 45 CA VAL A 11 -1.918 1.310 -13.990 1.00 0.00 C ATOM 46 C VAL A 11 -1.051 0.254 -13.304 1.00 0.00 C ATOM 47 O VAL A 11 -0.028 0.558 -12.735 1.00 0.00 O ATOM 48 CB VAL A 11 -1.097 2.073 -15.025 1.00 0.00 C ATOM 49 CG1 VAL A 11 -0.633 1.103 -16.116 1.00 0.00 C ATOM 50 CG2 VAL A 11 -1.970 3.158 -15.655 1.00 0.00 C ATOM 0 H VAL A 11 -1.744 2.879 -12.553 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.750 0.819 -14.494 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.230 2.528 -14.546 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.046 1.644 -16.858 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.021 0.319 -15.670 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.502 0.654 -16.598 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.389 3.708 -16.396 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.831 2.697 -16.138 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.313 3.844 -14.881 1.00 0.00 H new ATOM 60 N GLY A 12 -1.458 -0.988 -13.347 1.00 0.00 N ATOM 61 CA GLY A 12 -0.654 -2.063 -12.692 1.00 0.00 C ATOM 62 C GLY A 12 -0.348 -3.165 -13.712 1.00 0.00 C ATOM 63 O GLY A 12 -0.864 -4.262 -13.613 1.00 0.00 O ATOM 0 H GLY A 12 -2.312 -1.304 -13.807 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.274 -1.649 -12.298 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.202 -2.478 -11.846 1.00 0.00 H new ATOM 67 N PRO A 13 0.476 -2.828 -14.669 1.00 0.00 N ATOM 68 CA PRO A 13 0.876 -3.751 -15.751 1.00 0.00 C ATOM 69 C PRO A 13 1.884 -4.811 -15.282 1.00 0.00 C ATOM 70 O PRO A 13 2.692 -4.585 -14.391 1.00 0.00 O ATOM 71 CB PRO A 13 1.531 -2.829 -16.783 1.00 0.00 C ATOM 72 CG PRO A 13 1.983 -1.571 -16.010 1.00 0.00 C ATOM 73 CD PRO A 13 1.083 -1.485 -14.767 1.00 0.00 C ATOM 0 HA PRO A 13 0.024 -4.314 -16.132 1.00 0.00 H new ATOM 0 HB2 PRO A 13 2.380 -3.319 -17.260 1.00 0.00 H new ATOM 0 HB3 PRO A 13 0.828 -2.568 -17.574 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.033 -1.645 -15.726 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.882 -0.678 -16.627 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.659 -1.241 -13.874 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.323 -0.711 -14.877 1.00 0.00 H new ATOM 81 N HIS A 14 1.840 -5.954 -15.928 1.00 0.00 N ATOM 82 CA HIS A 14 2.774 -7.084 -15.627 1.00 0.00 C ATOM 83 C HIS A 14 2.212 -8.379 -16.212 1.00 0.00 C ATOM 84 O HIS A 14 2.939 -9.231 -16.681 1.00 0.00 O ATOM 85 CB HIS A 14 2.973 -7.285 -14.124 1.00 0.00 C ATOM 86 CG HIS A 14 4.281 -7.993 -13.921 1.00 0.00 C ATOM 87 ND1 HIS A 14 5.499 -7.352 -14.086 1.00 0.00 N ATOM 88 CD2 HIS A 14 4.581 -9.293 -13.609 1.00 0.00 C ATOM 89 CE1 HIS A 14 6.467 -8.261 -13.877 1.00 0.00 C ATOM 90 NE2 HIS A 14 5.962 -9.461 -13.582 1.00 0.00 N ATOM 0 H HIS A 14 1.174 -6.154 -16.674 1.00 0.00 H new ATOM 0 HA HIS A 14 3.737 -6.834 -16.073 1.00 0.00 H new ATOM 0 HB2 HIS A 14 2.975 -6.325 -13.608 1.00 0.00 H new ATOM 0 HB3 HIS A 14 2.154 -7.870 -13.706 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.636 -6.369 -14.323 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.856 -10.069 -13.414 1.00 0.00 H new ATOM 0 HE1 HIS A 14 7.524 -8.047 -13.940 1.00 0.00 H new ATOM 98 N GLY A 15 0.924 -8.530 -16.175 1.00 0.00 N ATOM 99 CA GLY A 15 0.292 -9.769 -16.711 1.00 0.00 C ATOM 100 C GLY A 15 -0.366 -10.526 -15.557 1.00 0.00 C ATOM 101 O GLY A 15 -0.977 -9.926 -14.695 1.00 0.00 O ATOM 0 H GLY A 15 0.272 -7.844 -15.794 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.450 -9.517 -17.468 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.041 -10.396 -17.195 1.00 0.00 H new ATOM 105 N PRO A 16 -0.215 -11.824 -15.568 1.00 0.00 N ATOM 106 CA PRO A 16 -0.779 -12.692 -14.524 1.00 0.00 C ATOM 107 C PRO A 16 0.089 -12.624 -13.266 1.00 0.00 C ATOM 108 O PRO A 16 1.277 -12.377 -13.336 1.00 0.00 O ATOM 109 CB PRO A 16 -0.732 -14.087 -15.151 1.00 0.00 C ATOM 110 CG PRO A 16 0.351 -14.031 -16.255 1.00 0.00 C ATOM 111 CD PRO A 16 0.531 -12.544 -16.619 1.00 0.00 C ATOM 0 HA PRO A 16 -1.786 -12.408 -14.219 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.486 -14.841 -14.403 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.701 -14.358 -15.570 1.00 0.00 H new ATOM 0 HG2 PRO A 16 1.288 -14.459 -15.900 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.046 -14.609 -17.127 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.583 -12.260 -16.627 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.134 -12.325 -17.610 1.00 0.00 H new ATOM 119 N LEU A 17 -0.489 -12.834 -12.116 1.00 0.00 N ATOM 120 CA LEU A 17 0.313 -12.772 -10.865 1.00 0.00 C ATOM 121 C LEU A 17 0.235 -14.109 -10.130 1.00 0.00 C ATOM 122 O LEU A 17 -0.715 -14.390 -9.431 1.00 0.00 O ATOM 123 CB LEU A 17 -0.235 -11.666 -9.958 1.00 0.00 C ATOM 124 CG LEU A 17 0.160 -10.297 -10.514 1.00 0.00 C ATOM 125 CD1 LEU A 17 -0.579 -9.203 -9.742 1.00 0.00 C ATOM 126 CD2 LEU A 17 1.670 -10.096 -10.360 1.00 0.00 C ATOM 0 H LEU A 17 -1.479 -13.045 -11.990 1.00 0.00 H new ATOM 0 HA LEU A 17 1.351 -12.559 -11.119 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.320 -11.742 -9.891 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.156 -11.785 -8.947 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.107 -10.244 -11.570 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.299 -8.226 -10.137 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.654 -9.344 -9.851 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.311 -9.258 -8.687 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.949 -9.120 -10.757 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.938 -10.149 -9.305 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.199 -10.876 -10.909 1.00 0.00 H new ATOM 138 N ALA A 18 1.236 -14.931 -10.269 1.00 0.00 N ATOM 139 CA ALA A 18 1.227 -16.236 -9.559 1.00 0.00 C ATOM 140 C ALA A 18 1.925 -16.054 -8.213 1.00 0.00 C ATOM 141 O ALA A 18 2.507 -15.022 -7.948 1.00 0.00 O ATOM 142 CB ALA A 18 1.976 -17.280 -10.390 1.00 0.00 C ATOM 0 H ALA A 18 2.060 -14.754 -10.844 1.00 0.00 H new ATOM 0 HA ALA A 18 0.202 -16.575 -9.409 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.968 -18.236 -9.866 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.488 -17.392 -11.358 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.006 -16.956 -10.538 1.00 0.00 H new ATOM 148 N SER A 19 1.866 -17.035 -7.358 1.00 0.00 N ATOM 149 CA SER A 19 2.524 -16.904 -6.027 1.00 0.00 C ATOM 150 C SER A 19 3.990 -16.503 -6.210 1.00 0.00 C ATOM 151 O SER A 19 4.764 -17.203 -6.833 1.00 0.00 O ATOM 152 CB SER A 19 2.452 -18.240 -5.291 1.00 0.00 C ATOM 153 OG SER A 19 3.310 -18.195 -4.159 1.00 0.00 O ATOM 0 H SER A 19 1.391 -17.923 -7.522 1.00 0.00 H new ATOM 0 HA SER A 19 2.011 -16.137 -5.447 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.428 -18.442 -4.978 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.749 -19.052 -5.955 1.00 0.00 H new ATOM 0 HG SER A 19 3.023 -17.475 -3.559 1.00 0.00 H new ATOM 159 N GLY A 20 4.374 -15.379 -5.672 1.00 0.00 N ATOM 160 CA GLY A 20 5.786 -14.925 -5.810 1.00 0.00 C ATOM 161 C GLY A 20 5.939 -14.141 -7.113 1.00 0.00 C ATOM 162 O GLY A 20 6.840 -14.381 -7.892 1.00 0.00 O ATOM 0 H GLY A 20 3.769 -14.753 -5.141 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.064 -14.300 -4.961 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.458 -15.783 -5.807 1.00 0.00 H new ATOM 166 N GLN A 21 5.056 -13.212 -7.359 1.00 0.00 N ATOM 167 CA GLN A 21 5.141 -12.417 -8.617 1.00 0.00 C ATOM 168 C GLN A 21 5.410 -10.942 -8.301 1.00 0.00 C ATOM 169 O GLN A 21 4.912 -10.396 -7.333 1.00 0.00 O ATOM 170 CB GLN A 21 3.819 -12.525 -9.377 1.00 0.00 C ATOM 171 CG GLN A 21 4.064 -13.158 -10.749 1.00 0.00 C ATOM 172 CD GLN A 21 4.937 -12.229 -11.589 1.00 0.00 C ATOM 173 OE1 GLN A 21 4.909 -11.028 -11.415 1.00 0.00 O ATOM 174 NE2 GLN A 21 5.717 -12.736 -12.503 1.00 0.00 N ATOM 0 H GLN A 21 4.280 -12.969 -6.744 1.00 0.00 H new ATOM 0 HA GLN A 21 5.958 -12.810 -9.222 1.00 0.00 H new ATOM 0 HB2 GLN A 21 3.110 -13.127 -8.809 1.00 0.00 H new ATOM 0 HB3 GLN A 21 3.375 -11.537 -9.496 1.00 0.00 H new ATOM 0 HG2 GLN A 21 4.551 -14.126 -10.633 1.00 0.00 H new ATOM 0 HG3 GLN A 21 3.115 -13.337 -11.254 1.00 0.00 H new ATOM 0 HE21 GLN A 21 5.741 -13.745 -12.650 1.00 0.00 H new ATOM 0 HE22 GLN A 21 6.303 -12.123 -13.071 1.00 0.00 H new ATOM 183 N LEU A 22 6.187 -10.294 -9.128 1.00 0.00 N ATOM 184 CA LEU A 22 6.493 -8.852 -8.916 1.00 0.00 C ATOM 185 C LEU A 22 5.759 -8.035 -9.980 1.00 0.00 C ATOM 186 O LEU A 22 6.262 -7.825 -11.064 1.00 0.00 O ATOM 187 CB LEU A 22 8.007 -8.636 -9.057 1.00 0.00 C ATOM 188 CG LEU A 22 8.422 -7.261 -8.504 1.00 0.00 C ATOM 189 CD1 LEU A 22 7.905 -6.138 -9.412 1.00 0.00 C ATOM 190 CD2 LEU A 22 7.855 -7.077 -7.095 1.00 0.00 C ATOM 0 H LEU A 22 6.627 -10.708 -9.950 1.00 0.00 H new ATOM 0 HA LEU A 22 6.172 -8.539 -7.923 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.541 -9.423 -8.524 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.292 -8.711 -10.106 1.00 0.00 H new ATOM 0 HG LEU A 22 9.511 -7.215 -8.470 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.208 -5.173 -9.006 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.322 -6.258 -10.412 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.817 -6.184 -9.465 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.152 -6.102 -6.708 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.767 -7.138 -7.130 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.242 -7.860 -6.442 1.00 0.00 H new ATOM 202 N ALA A 23 4.581 -7.562 -9.685 1.00 0.00 N ATOM 203 CA ALA A 23 3.843 -6.749 -10.692 1.00 0.00 C ATOM 204 C ALA A 23 4.479 -5.363 -10.740 1.00 0.00 C ATOM 205 O ALA A 23 5.080 -4.929 -9.784 1.00 0.00 O ATOM 206 CB ALA A 23 2.373 -6.623 -10.285 1.00 0.00 C ATOM 0 H ALA A 23 4.099 -7.701 -8.797 1.00 0.00 H new ATOM 0 HA ALA A 23 3.895 -7.227 -11.670 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.840 -6.027 -11.026 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.925 -7.615 -10.227 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.305 -6.137 -9.312 1.00 0.00 H new ATOM 212 N ALA A 24 4.362 -4.651 -11.827 1.00 0.00 N ATOM 213 CA ALA A 24 4.980 -3.300 -11.862 1.00 0.00 C ATOM 214 C ALA A 24 3.873 -2.280 -12.087 1.00 0.00 C ATOM 215 O ALA A 24 3.211 -2.284 -13.100 1.00 0.00 O ATOM 216 CB ALA A 24 6.024 -3.249 -12.972 1.00 0.00 C ATOM 0 H ALA A 24 3.875 -4.940 -12.675 1.00 0.00 H new ATOM 0 HA ALA A 24 5.485 -3.074 -10.923 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.478 -2.259 -12.999 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.794 -3.996 -12.782 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.547 -3.456 -13.930 1.00 0.00 H new ATOM 222 N PHE A 25 3.636 -1.441 -11.118 1.00 0.00 N ATOM 223 CA PHE A 25 2.530 -0.451 -11.222 1.00 0.00 C ATOM 224 C PHE A 25 3.044 0.937 -11.617 1.00 0.00 C ATOM 225 O PHE A 25 4.230 1.192 -11.684 1.00 0.00 O ATOM 226 CB PHE A 25 1.866 -0.319 -9.852 1.00 0.00 C ATOM 227 CG PHE A 25 1.133 -1.582 -9.463 1.00 0.00 C ATOM 228 CD1 PHE A 25 1.806 -2.811 -9.374 1.00 0.00 C ATOM 229 CD2 PHE A 25 -0.232 -1.510 -9.161 1.00 0.00 C ATOM 230 CE1 PHE A 25 1.106 -3.958 -8.987 1.00 0.00 C ATOM 231 CE2 PHE A 25 -0.926 -2.660 -8.777 1.00 0.00 C ATOM 232 CZ PHE A 25 -0.258 -3.883 -8.688 1.00 0.00 C ATOM 0 H PHE A 25 4.168 -1.399 -10.249 1.00 0.00 H new ATOM 0 HA PHE A 25 1.836 -0.803 -11.985 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.623 -0.091 -9.101 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.168 0.518 -9.865 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.860 -2.870 -9.603 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.749 -0.564 -9.225 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.621 -4.905 -8.919 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.980 -2.603 -8.549 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.795 -4.771 -8.388 1.00 0.00 H new ATOM 242 N HIS A 26 2.123 1.839 -11.836 1.00 0.00 N ATOM 243 CA HIS A 26 2.469 3.241 -12.184 1.00 0.00 C ATOM 244 C HIS A 26 1.189 4.086 -12.088 1.00 0.00 C ATOM 245 O HIS A 26 0.112 3.651 -12.460 1.00 0.00 O ATOM 246 CB HIS A 26 3.110 3.310 -13.586 1.00 0.00 C ATOM 247 CG HIS A 26 2.112 3.687 -14.649 1.00 0.00 C ATOM 248 ND1 HIS A 26 1.901 2.901 -15.771 1.00 0.00 N ATOM 249 CD2 HIS A 26 1.307 4.783 -14.807 1.00 0.00 C ATOM 250 CE1 HIS A 26 1.005 3.536 -16.548 1.00 0.00 C ATOM 251 NE2 HIS A 26 0.612 4.691 -16.007 1.00 0.00 N ATOM 0 H HIS A 26 1.121 1.653 -11.786 1.00 0.00 H new ATOM 0 HA HIS A 26 3.208 3.638 -11.489 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.922 4.038 -13.577 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.551 2.344 -13.830 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.224 5.598 -14.103 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.647 3.157 -17.494 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -0.054 5.361 -16.391 1.00 0.00 H new ATOM 259 N ILE A 27 1.295 5.274 -11.553 1.00 0.00 N ATOM 260 CA ILE A 27 0.093 6.147 -11.388 1.00 0.00 C ATOM 261 C ILE A 27 0.168 7.295 -12.394 1.00 0.00 C ATOM 262 O ILE A 27 1.241 7.716 -12.774 1.00 0.00 O ATOM 263 CB ILE A 27 0.083 6.698 -9.956 1.00 0.00 C ATOM 264 CG1 ILE A 27 0.630 5.634 -9.018 1.00 0.00 C ATOM 265 CG2 ILE A 27 -1.342 7.028 -9.521 1.00 0.00 C ATOM 266 CD1 ILE A 27 -0.244 4.388 -9.140 1.00 0.00 C ATOM 0 H ILE A 27 2.169 5.681 -11.220 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.820 5.579 -11.566 1.00 0.00 H new ATOM 0 HB ILE A 27 0.692 7.602 -9.923 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.663 5.399 -9.273 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.630 5.998 -7.991 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.331 7.418 -8.503 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.763 7.777 -10.192 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.952 6.125 -9.557 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.133 3.612 -8.474 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.270 4.635 -8.866 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.220 4.026 -10.168 1.00 0.00 H new ATOM 278 N ALA A 28 -0.951 7.792 -12.856 1.00 0.00 N ATOM 279 CA ALA A 28 -0.882 8.898 -13.869 1.00 0.00 C ATOM 280 C ALA A 28 -1.835 10.056 -13.533 1.00 0.00 C ATOM 281 O ALA A 28 -3.023 9.879 -13.407 1.00 0.00 O ATOM 282 CB ALA A 28 -1.275 8.344 -15.234 1.00 0.00 C ATOM 0 H ALA A 28 -1.888 7.493 -12.587 1.00 0.00 H new ATOM 0 HA ALA A 28 0.139 9.281 -13.867 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.228 9.140 -15.977 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.588 7.545 -15.514 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.290 7.950 -15.188 1.00 0.00 H new ATOM 288 N ALA A 29 -1.320 11.254 -13.443 1.00 0.00 N ATOM 289 CA ALA A 29 -2.196 12.435 -13.169 1.00 0.00 C ATOM 290 C ALA A 29 -1.335 13.705 -13.121 1.00 0.00 C ATOM 291 O ALA A 29 -1.444 14.548 -13.991 1.00 0.00 O ATOM 292 CB ALA A 29 -2.954 12.257 -11.852 1.00 0.00 C ATOM 0 H ALA A 29 -0.328 11.468 -13.547 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.931 12.524 -13.969 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.584 13.128 -11.674 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.577 11.364 -11.908 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.242 12.151 -11.034 1.00 0.00 H new ATOM 298 N PRO A 30 -0.488 13.808 -12.122 1.00 0.00 N ATOM 299 CA PRO A 30 0.405 14.968 -11.975 1.00 0.00 C ATOM 300 C PRO A 30 1.606 14.803 -12.907 1.00 0.00 C ATOM 301 O PRO A 30 2.700 14.569 -12.453 1.00 0.00 O ATOM 302 CB PRO A 30 0.846 14.898 -10.511 1.00 0.00 C ATOM 303 CG PRO A 30 0.658 13.427 -10.069 1.00 0.00 C ATOM 304 CD PRO A 30 -0.338 12.794 -11.055 1.00 0.00 C ATOM 0 HA PRO A 30 -0.066 15.919 -12.224 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.886 15.206 -10.403 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.249 15.569 -9.893 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.609 12.894 -10.083 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.279 13.375 -9.048 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.039 11.851 -11.452 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.292 12.578 -10.574 1.00 0.00 H new ATOM 312 N LEU A 31 1.380 14.903 -14.201 1.00 0.00 N ATOM 313 CA LEU A 31 2.469 14.733 -15.233 1.00 0.00 C ATOM 314 C LEU A 31 3.879 14.726 -14.613 1.00 0.00 C ATOM 315 O LEU A 31 4.549 13.713 -14.652 1.00 0.00 O ATOM 316 CB LEU A 31 2.364 15.847 -16.280 1.00 0.00 C ATOM 317 CG LEU A 31 1.946 15.248 -17.624 1.00 0.00 C ATOM 318 CD1 LEU A 31 3.044 14.312 -18.132 1.00 0.00 C ATOM 319 CD2 LEU A 31 0.643 14.462 -17.453 1.00 0.00 C ATOM 0 H LEU A 31 0.461 15.101 -14.597 1.00 0.00 H new ATOM 0 HA LEU A 31 2.323 13.760 -15.702 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.636 16.593 -15.961 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.322 16.358 -16.380 1.00 0.00 H new ATOM 0 HG LEU A 31 1.793 16.051 -18.345 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.745 13.886 -19.090 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.970 14.872 -18.258 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.200 13.510 -17.411 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.347 14.036 -18.412 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.794 13.660 -16.731 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.141 15.130 -17.095 1.00 0.00 H new ATOM 331 N PRO A 32 4.298 15.838 -14.059 1.00 0.00 N ATOM 332 CA PRO A 32 5.629 15.939 -13.434 1.00 0.00 C ATOM 333 C PRO A 32 5.612 15.311 -12.032 1.00 0.00 C ATOM 334 O PRO A 32 5.253 15.954 -11.072 1.00 0.00 O ATOM 335 CB PRO A 32 5.863 17.449 -13.340 1.00 0.00 C ATOM 336 CG PRO A 32 4.466 18.112 -13.371 1.00 0.00 C ATOM 337 CD PRO A 32 3.505 17.085 -13.996 1.00 0.00 C ATOM 0 HA PRO A 32 6.406 15.420 -13.995 1.00 0.00 H new ATOM 0 HB2 PRO A 32 6.393 17.703 -12.422 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.477 17.799 -14.170 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.143 18.383 -12.366 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.486 19.031 -13.957 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.609 16.957 -13.389 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.176 17.399 -14.987 1.00 0.00 H new ATOM 345 N VAL A 33 5.997 14.066 -11.901 1.00 0.00 N ATOM 346 CA VAL A 33 5.998 13.431 -10.544 1.00 0.00 C ATOM 347 C VAL A 33 7.422 13.026 -10.170 1.00 0.00 C ATOM 348 O VAL A 33 8.204 12.621 -11.008 1.00 0.00 O ATOM 349 CB VAL A 33 5.111 12.183 -10.534 1.00 0.00 C ATOM 350 CG1 VAL A 33 4.833 11.768 -9.087 1.00 0.00 C ATOM 351 CG2 VAL A 33 3.789 12.490 -11.223 1.00 0.00 C ATOM 0 H VAL A 33 6.308 13.466 -12.665 1.00 0.00 H new ATOM 0 HA VAL A 33 5.610 14.153 -9.825 1.00 0.00 H new ATOM 0 HB VAL A 33 5.621 11.376 -11.060 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.202 10.880 -9.078 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.775 11.549 -8.584 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.324 12.580 -8.567 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.159 11.600 -11.215 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.283 13.298 -10.695 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.977 12.792 -12.253 1.00 0.00 H new ATOM 361 N THR A 34 7.760 13.126 -8.915 1.00 0.00 N ATOM 362 CA THR A 34 9.132 12.742 -8.480 1.00 0.00 C ATOM 363 C THR A 34 9.075 11.504 -7.584 1.00 0.00 C ATOM 364 O THR A 34 10.068 10.830 -7.390 1.00 0.00 O ATOM 365 CB THR A 34 9.774 13.905 -7.717 1.00 0.00 C ATOM 366 OG1 THR A 34 11.118 13.576 -7.398 1.00 0.00 O ATOM 367 CG2 THR A 34 8.991 14.170 -6.429 1.00 0.00 C ATOM 0 H THR A 34 7.145 13.457 -8.171 1.00 0.00 H new ATOM 0 HA THR A 34 9.732 12.511 -9.361 1.00 0.00 H new ATOM 0 HB THR A 34 9.757 14.800 -8.339 1.00 0.00 H new ATOM 0 HG1 THR A 34 11.530 14.320 -6.911 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.450 14.998 -5.888 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.960 14.425 -6.676 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.005 13.277 -5.805 1.00 0.00 H new ATOM 375 N ALA A 35 7.935 11.196 -7.032 1.00 0.00 N ATOM 376 CA ALA A 35 7.839 10.003 -6.152 1.00 0.00 C ATOM 377 C ALA A 35 6.397 9.803 -5.677 1.00 0.00 C ATOM 378 O ALA A 35 5.635 10.742 -5.543 1.00 0.00 O ATOM 379 CB ALA A 35 8.731 10.227 -4.940 1.00 0.00 C ATOM 0 H ALA A 35 7.068 11.719 -7.153 1.00 0.00 H new ATOM 0 HA ALA A 35 8.153 9.119 -6.707 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.674 9.361 -4.281 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.761 10.367 -5.267 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.398 11.115 -4.402 1.00 0.00 H new ATOM 385 N THR A 36 6.032 8.582 -5.393 1.00 0.00 N ATOM 386 CA THR A 36 4.656 8.302 -4.890 1.00 0.00 C ATOM 387 C THR A 36 4.755 7.263 -3.777 1.00 0.00 C ATOM 388 O THR A 36 5.478 6.294 -3.888 1.00 0.00 O ATOM 389 CB THR A 36 3.756 7.745 -6.001 1.00 0.00 C ATOM 390 OG1 THR A 36 3.040 6.625 -5.503 1.00 0.00 O ATOM 391 CG2 THR A 36 4.586 7.313 -7.204 1.00 0.00 C ATOM 0 H THR A 36 6.631 7.762 -5.488 1.00 0.00 H new ATOM 0 HA THR A 36 4.220 9.233 -4.529 1.00 0.00 H new ATOM 0 HB THR A 36 3.065 8.527 -6.316 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.646 5.860 -5.420 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.927 6.921 -7.979 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.135 8.170 -7.594 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.290 6.538 -6.901 1.00 0.00 H new ATOM 399 N ARG A 37 4.035 7.445 -2.708 1.00 0.00 N ATOM 400 CA ARG A 37 4.095 6.450 -1.606 1.00 0.00 C ATOM 401 C ARG A 37 2.983 5.421 -1.809 1.00 0.00 C ATOM 402 O ARG A 37 1.814 5.734 -1.733 1.00 0.00 O ATOM 403 CB ARG A 37 3.912 7.152 -0.259 1.00 0.00 C ATOM 404 CG ARG A 37 4.953 6.628 0.733 1.00 0.00 C ATOM 405 CD ARG A 37 5.214 7.685 1.806 1.00 0.00 C ATOM 406 NE ARG A 37 4.047 7.753 2.729 1.00 0.00 N ATOM 407 CZ ARG A 37 3.676 8.901 3.227 1.00 0.00 C ATOM 408 NH1 ARG A 37 4.556 9.686 3.787 1.00 0.00 N ATOM 409 NH2 ARG A 37 2.424 9.264 3.165 1.00 0.00 N ATOM 0 H ARG A 37 3.410 8.236 -2.550 1.00 0.00 H new ATOM 0 HA ARG A 37 5.065 5.952 -1.613 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.020 8.230 -0.381 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.907 6.973 0.123 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.599 5.706 1.194 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.879 6.388 0.211 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.118 7.438 2.363 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.381 8.657 1.342 1.00 0.00 H new ATOM 0 HE ARG A 37 3.538 6.903 2.972 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.535 9.402 3.836 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.265 10.583 4.176 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.736 8.651 2.728 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.133 10.161 3.554 1.00 0.00 H new ATOM 423 N TRP A 38 3.338 4.195 -2.069 1.00 0.00 N ATOM 424 CA TRP A 38 2.301 3.144 -2.282 1.00 0.00 C ATOM 425 C TRP A 38 2.097 2.367 -0.996 1.00 0.00 C ATOM 426 O TRP A 38 2.732 2.610 0.012 1.00 0.00 O ATOM 427 CB TRP A 38 2.753 2.146 -3.345 1.00 0.00 C ATOM 428 CG TRP A 38 3.038 2.833 -4.630 1.00 0.00 C ATOM 429 CD1 TRP A 38 3.936 3.825 -4.803 1.00 0.00 C ATOM 430 CD2 TRP A 38 2.453 2.575 -5.931 1.00 0.00 C ATOM 431 NE1 TRP A 38 3.939 4.194 -6.132 1.00 0.00 N ATOM 432 CE2 TRP A 38 3.045 3.449 -6.871 1.00 0.00 C ATOM 433 CE3 TRP A 38 1.475 1.670 -6.384 1.00 0.00 C ATOM 434 CZ2 TRP A 38 2.683 3.428 -8.213 1.00 0.00 C ATOM 435 CZ3 TRP A 38 1.108 1.650 -7.733 1.00 0.00 C ATOM 436 CH2 TRP A 38 1.713 2.524 -8.646 1.00 0.00 C ATOM 0 H TRP A 38 4.303 3.873 -2.144 1.00 0.00 H new ATOM 0 HA TRP A 38 1.383 3.639 -2.598 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.646 1.623 -3.002 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.980 1.393 -3.495 1.00 0.00 H new ATOM 0 HD1 TRP A 38 4.551 4.259 -4.028 1.00 0.00 H new ATOM 0 HE1 TRP A 38 4.531 4.928 -6.521 1.00 0.00 H new ATOM 0 HE3 TRP A 38 1.007 0.989 -5.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 3.148 4.105 -8.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 0.353 0.956 -8.074 1.00 0.00 H new ATOM 0 HH2 TRP A 38 1.428 2.498 -9.687 1.00 0.00 H new ATOM 447 N ASP A 39 1.241 1.403 -1.049 1.00 0.00 N ATOM 448 CA ASP A 39 1.001 0.540 0.122 1.00 0.00 C ATOM 449 C ASP A 39 0.570 -0.809 -0.425 1.00 0.00 C ATOM 450 O ASP A 39 -0.547 -0.977 -0.872 1.00 0.00 O ATOM 451 CB ASP A 39 -0.088 1.134 1.012 1.00 0.00 C ATOM 452 CG ASP A 39 0.537 1.610 2.322 1.00 0.00 C ATOM 453 OD1 ASP A 39 0.771 0.776 3.181 1.00 0.00 O ATOM 454 OD2 ASP A 39 0.777 2.800 2.444 1.00 0.00 O ATOM 0 H ASP A 39 0.685 1.171 -1.872 1.00 0.00 H new ATOM 0 HA ASP A 39 1.897 0.448 0.736 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.575 1.966 0.504 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.857 0.388 1.212 1.00 0.00 H new ATOM 459 N PHE A 40 1.452 -1.762 -0.445 1.00 0.00 N ATOM 460 CA PHE A 40 1.072 -3.076 -1.027 1.00 0.00 C ATOM 461 C PHE A 40 0.274 -3.891 -0.015 1.00 0.00 C ATOM 462 O PHE A 40 -0.862 -4.248 -0.252 1.00 0.00 O ATOM 463 CB PHE A 40 2.315 -3.868 -1.442 1.00 0.00 C ATOM 464 CG PHE A 40 3.287 -3.011 -2.226 1.00 0.00 C ATOM 465 CD1 PHE A 40 2.872 -1.820 -2.837 1.00 0.00 C ATOM 466 CD2 PHE A 40 4.616 -3.434 -2.358 1.00 0.00 C ATOM 467 CE1 PHE A 40 3.784 -1.057 -3.575 1.00 0.00 C ATOM 468 CE2 PHE A 40 5.525 -2.670 -3.095 1.00 0.00 C ATOM 469 CZ PHE A 40 5.109 -1.483 -3.703 1.00 0.00 C ATOM 0 H PHE A 40 2.406 -1.693 -0.090 1.00 0.00 H new ATOM 0 HA PHE A 40 0.460 -2.887 -1.909 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.810 -4.261 -0.554 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.016 -4.725 -2.046 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.848 -1.491 -2.738 1.00 0.00 H new ATOM 0 HD2 PHE A 40 4.939 -4.352 -1.889 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.464 -0.139 -4.046 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.549 -2.997 -3.195 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.812 -0.894 -4.273 1.00 0.00 H new ATOM 479 N GLY A 41 0.861 -4.205 1.103 1.00 0.00 N ATOM 480 CA GLY A 41 0.134 -5.017 2.116 1.00 0.00 C ATOM 481 C GLY A 41 0.467 -6.499 1.909 1.00 0.00 C ATOM 482 O GLY A 41 -0.181 -7.372 2.452 1.00 0.00 O ATOM 0 H GLY A 41 1.811 -3.936 1.360 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.418 -4.705 3.121 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.940 -4.857 2.024 1.00 0.00 H new ATOM 486 N ASP A 42 1.492 -6.789 1.148 1.00 0.00 N ATOM 487 CA ASP A 42 1.892 -8.201 0.926 1.00 0.00 C ATOM 488 C ASP A 42 3.086 -8.471 1.835 1.00 0.00 C ATOM 489 O ASP A 42 2.946 -8.602 3.035 1.00 0.00 O ATOM 490 CB ASP A 42 2.266 -8.422 -0.554 1.00 0.00 C ATOM 491 CG ASP A 42 2.935 -7.168 -1.151 1.00 0.00 C ATOM 492 OD1 ASP A 42 3.709 -6.528 -0.455 1.00 0.00 O ATOM 493 OD2 ASP A 42 2.673 -6.878 -2.305 1.00 0.00 O ATOM 0 H ASP A 42 2.070 -6.098 0.669 1.00 0.00 H new ATOM 0 HA ASP A 42 1.074 -8.883 1.157 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.942 -9.273 -0.638 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.371 -8.667 -1.126 1.00 0.00 H new ATOM 498 N GLY A 43 4.264 -8.497 1.292 1.00 0.00 N ATOM 499 CA GLY A 43 5.456 -8.687 2.141 1.00 0.00 C ATOM 500 C GLY A 43 5.899 -7.312 2.652 1.00 0.00 C ATOM 501 O GLY A 43 6.645 -7.202 3.603 1.00 0.00 O ATOM 0 H GLY A 43 4.450 -8.394 0.294 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.227 -9.348 2.977 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.258 -9.158 1.572 1.00 0.00 H new ATOM 505 N SER A 44 5.433 -6.255 2.023 1.00 0.00 N ATOM 506 CA SER A 44 5.814 -4.884 2.469 1.00 0.00 C ATOM 507 C SER A 44 4.567 -3.991 2.485 1.00 0.00 C ATOM 508 O SER A 44 3.819 -3.927 1.528 1.00 0.00 O ATOM 509 CB SER A 44 6.854 -4.305 1.507 1.00 0.00 C ATOM 510 OG SER A 44 6.200 -3.785 0.358 1.00 0.00 O ATOM 0 H SER A 44 4.805 -6.289 1.220 1.00 0.00 H new ATOM 0 HA SER A 44 6.239 -4.929 3.472 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.424 -3.518 2.001 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.565 -5.078 1.215 1.00 0.00 H new ATOM 0 HG SER A 44 5.243 -3.990 0.406 1.00 0.00 H new ATOM 516 N ALA A 45 4.328 -3.309 3.573 1.00 0.00 N ATOM 517 CA ALA A 45 3.129 -2.429 3.652 1.00 0.00 C ATOM 518 C ALA A 45 3.416 -1.093 2.966 1.00 0.00 C ATOM 519 O ALA A 45 3.145 -0.914 1.789 1.00 0.00 O ATOM 520 CB ALA A 45 2.768 -2.196 5.122 1.00 0.00 C ATOM 0 H ALA A 45 4.912 -3.324 4.409 1.00 0.00 H new ATOM 0 HA ALA A 45 2.292 -2.910 3.146 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.891 -1.552 5.184 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.551 -3.152 5.599 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.605 -1.718 5.631 1.00 0.00 H new ATOM 526 N GLU A 46 3.957 -0.160 3.705 1.00 0.00 N ATOM 527 CA GLU A 46 4.277 1.190 3.144 1.00 0.00 C ATOM 528 C GLU A 46 5.198 1.051 1.932 1.00 0.00 C ATOM 529 O GLU A 46 5.957 0.108 1.819 1.00 0.00 O ATOM 530 CB GLU A 46 4.972 2.032 4.217 1.00 0.00 C ATOM 531 CG GLU A 46 6.363 1.459 4.497 1.00 0.00 C ATOM 532 CD GLU A 46 6.583 1.372 6.006 1.00 0.00 C ATOM 533 OE1 GLU A 46 6.117 0.413 6.598 1.00 0.00 O ATOM 534 OE2 GLU A 46 7.212 2.267 6.546 1.00 0.00 O ATOM 0 H GLU A 46 4.195 -0.277 4.690 1.00 0.00 H new ATOM 0 HA GLU A 46 3.352 1.676 2.834 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.054 3.067 3.885 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.379 2.036 5.131 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.458 0.471 4.047 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.127 2.091 4.043 1.00 0.00 H new ATOM 541 N VAL A 47 5.121 1.975 1.010 1.00 0.00 N ATOM 542 CA VAL A 47 5.972 1.885 -0.209 1.00 0.00 C ATOM 543 C VAL A 47 6.504 3.259 -0.608 1.00 0.00 C ATOM 544 O VAL A 47 5.770 4.221 -0.673 1.00 0.00 O ATOM 545 CB VAL A 47 5.119 1.360 -1.355 1.00 0.00 C ATOM 546 CG1 VAL A 47 5.964 1.254 -2.619 1.00 0.00 C ATOM 547 CG2 VAL A 47 4.575 -0.016 -0.996 1.00 0.00 C ATOM 0 H VAL A 47 4.505 2.787 1.050 1.00 0.00 H new ATOM 0 HA VAL A 47 6.813 1.224 0.001 1.00 0.00 H new ATOM 0 HB VAL A 47 4.291 2.047 -1.529 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.350 0.878 -3.437 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.353 2.238 -2.880 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.795 0.570 -2.445 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.964 -0.391 -1.817 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.405 -0.700 -0.819 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.966 0.057 -0.095 1.00 0.00 H new ATOM 557 N ASP A 48 7.768 3.339 -0.919 1.00 0.00 N ATOM 558 CA ASP A 48 8.361 4.632 -1.365 1.00 0.00 C ATOM 559 C ASP A 48 8.806 4.464 -2.820 1.00 0.00 C ATOM 560 O ASP A 48 9.905 4.029 -3.097 1.00 0.00 O ATOM 561 CB ASP A 48 9.568 4.971 -0.489 1.00 0.00 C ATOM 562 CG ASP A 48 9.202 4.765 0.981 1.00 0.00 C ATOM 563 OD1 ASP A 48 8.272 5.408 1.436 1.00 0.00 O ATOM 564 OD2 ASP A 48 9.857 3.964 1.626 1.00 0.00 O ATOM 0 H ASP A 48 8.422 2.557 -0.883 1.00 0.00 H new ATOM 0 HA ASP A 48 7.633 5.439 -1.281 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.415 4.339 -0.757 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.875 6.003 -0.658 1.00 0.00 H new ATOM 569 N ALA A 49 7.942 4.768 -3.750 1.00 0.00 N ATOM 570 CA ALA A 49 8.294 4.583 -5.190 1.00 0.00 C ATOM 571 C ALA A 49 8.843 5.873 -5.803 1.00 0.00 C ATOM 572 O ALA A 49 8.530 6.968 -5.375 1.00 0.00 O ATOM 573 CB ALA A 49 7.042 4.163 -5.949 1.00 0.00 C ATOM 0 H ALA A 49 7.007 5.137 -3.576 1.00 0.00 H new ATOM 0 HA ALA A 49 9.067 3.818 -5.262 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.285 4.024 -7.003 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.664 3.227 -5.537 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.280 4.937 -5.851 1.00 0.00 H new ATOM 579 N ALA A 50 9.654 5.736 -6.823 1.00 0.00 N ATOM 580 CA ALA A 50 10.231 6.930 -7.502 1.00 0.00 C ATOM 581 C ALA A 50 9.289 7.379 -8.625 1.00 0.00 C ATOM 582 O ALA A 50 8.566 6.576 -9.206 1.00 0.00 O ATOM 583 CB ALA A 50 11.595 6.571 -8.097 1.00 0.00 C ATOM 0 H ALA A 50 9.941 4.839 -7.215 1.00 0.00 H new ATOM 0 HA ALA A 50 10.351 7.737 -6.779 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.017 7.445 -8.594 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.265 6.247 -7.301 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.475 5.765 -8.821 1.00 0.00 H new ATOM 589 N GLY A 51 9.281 8.658 -8.925 1.00 0.00 N ATOM 590 CA GLY A 51 8.378 9.175 -9.994 1.00 0.00 C ATOM 591 C GLY A 51 6.988 8.607 -9.753 1.00 0.00 C ATOM 592 O GLY A 51 6.678 8.196 -8.656 1.00 0.00 O ATOM 0 H GLY A 51 9.863 9.363 -8.473 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.352 10.265 -9.977 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.744 8.880 -10.977 1.00 0.00 H new ATOM 596 N PRO A 52 6.196 8.576 -10.781 1.00 0.00 N ATOM 597 CA PRO A 52 4.844 8.019 -10.706 1.00 0.00 C ATOM 598 C PRO A 52 4.882 6.505 -10.981 1.00 0.00 C ATOM 599 O PRO A 52 4.038 5.991 -11.685 1.00 0.00 O ATOM 600 CB PRO A 52 4.110 8.733 -11.843 1.00 0.00 C ATOM 601 CG PRO A 52 5.198 9.190 -12.848 1.00 0.00 C ATOM 602 CD PRO A 52 6.550 9.123 -12.104 1.00 0.00 C ATOM 0 HA PRO A 52 4.375 8.156 -9.732 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.394 8.065 -12.323 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.547 9.587 -11.466 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.208 8.545 -13.727 1.00 0.00 H new ATOM 0 HG3 PRO A 52 4.999 10.203 -13.198 1.00 0.00 H new ATOM 0 HD2 PRO A 52 7.262 8.482 -12.624 1.00 0.00 H new ATOM 0 HD3 PRO A 52 7.010 10.108 -12.020 1.00 0.00 H new ATOM 610 N ALA A 53 5.851 5.775 -10.466 1.00 0.00 N ATOM 611 CA ALA A 53 5.872 4.309 -10.775 1.00 0.00 C ATOM 612 C ALA A 53 6.389 3.483 -9.592 1.00 0.00 C ATOM 613 O ALA A 53 7.242 3.910 -8.841 1.00 0.00 O ATOM 614 CB ALA A 53 6.774 4.067 -11.985 1.00 0.00 C ATOM 0 H ALA A 53 6.602 6.118 -9.867 1.00 0.00 H new ATOM 0 HA ALA A 53 4.850 3.994 -10.984 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.795 3.002 -12.216 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.387 4.617 -12.843 1.00 0.00 H new ATOM 0 HB3 ALA A 53 7.784 4.409 -11.760 1.00 0.00 H new ATOM 620 N ALA A 54 5.878 2.283 -9.450 1.00 0.00 N ATOM 621 CA ALA A 54 6.322 1.374 -8.348 1.00 0.00 C ATOM 622 C ALA A 54 6.091 -0.070 -8.794 1.00 0.00 C ATOM 623 O ALA A 54 5.791 -0.331 -9.941 1.00 0.00 O ATOM 624 CB ALA A 54 5.507 1.640 -7.079 1.00 0.00 C ATOM 0 H ALA A 54 5.162 1.890 -10.061 1.00 0.00 H new ATOM 0 HA ALA A 54 7.376 1.549 -8.133 1.00 0.00 H new ATOM 0 HB1 ALA A 54 5.841 0.971 -6.285 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.649 2.674 -6.766 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.451 1.464 -7.281 1.00 0.00 H new ATOM 630 N SER A 55 6.218 -1.008 -7.902 1.00 0.00 N ATOM 631 CA SER A 55 5.991 -2.430 -8.283 1.00 0.00 C ATOM 632 C SER A 55 5.511 -3.207 -7.059 1.00 0.00 C ATOM 633 O SER A 55 5.906 -2.931 -5.947 1.00 0.00 O ATOM 634 CB SER A 55 7.284 -3.041 -8.810 1.00 0.00 C ATOM 635 OG SER A 55 8.323 -2.072 -8.751 1.00 0.00 O ATOM 0 H SER A 55 6.469 -0.854 -6.925 1.00 0.00 H new ATOM 0 HA SER A 55 5.235 -2.480 -9.067 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.553 -3.916 -8.218 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.147 -3.381 -9.837 1.00 0.00 H new ATOM 0 HG SER A 55 9.155 -2.464 -9.088 1.00 0.00 H new ATOM 641 N HIS A 56 4.647 -4.165 -7.252 1.00 0.00 N ATOM 642 CA HIS A 56 4.121 -4.940 -6.094 1.00 0.00 C ATOM 643 C HIS A 56 4.760 -6.323 -6.019 1.00 0.00 C ATOM 644 O HIS A 56 4.909 -7.009 -7.011 1.00 0.00 O ATOM 645 CB HIS A 56 2.616 -5.104 -6.250 1.00 0.00 C ATOM 646 CG HIS A 56 1.921 -3.964 -5.572 1.00 0.00 C ATOM 647 ND1 HIS A 56 1.969 -2.665 -6.056 1.00 0.00 N ATOM 648 CD2 HIS A 56 1.152 -3.913 -4.444 1.00 0.00 C ATOM 649 CE1 HIS A 56 1.243 -1.898 -5.222 1.00 0.00 C ATOM 650 NE2 HIS A 56 0.719 -2.615 -4.226 1.00 0.00 N ATOM 0 H HIS A 56 4.282 -4.445 -8.163 1.00 0.00 H new ATOM 0 HA HIS A 56 4.360 -4.396 -5.180 1.00 0.00 H new ATOM 0 HB2 HIS A 56 2.349 -5.131 -7.306 1.00 0.00 H new ATOM 0 HB3 HIS A 56 2.295 -6.051 -5.816 1.00 0.00 H new ATOM 0 HD1 HIS A 56 2.464 -2.349 -6.890 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.916 -4.759 -3.815 1.00 0.00 H new ATOM 0 HE1 HIS A 56 1.102 -0.834 -5.344 1.00 0.00 H new ATOM 658 N ARG A 57 5.111 -6.743 -4.834 1.00 0.00 N ATOM 659 CA ARG A 57 5.724 -8.091 -4.658 1.00 0.00 C ATOM 660 C ARG A 57 4.706 -9.005 -3.971 1.00 0.00 C ATOM 661 O ARG A 57 4.660 -9.107 -2.762 1.00 0.00 O ATOM 662 CB ARG A 57 6.995 -7.985 -3.802 1.00 0.00 C ATOM 663 CG ARG A 57 6.716 -7.180 -2.528 1.00 0.00 C ATOM 664 CD ARG A 57 7.717 -6.027 -2.415 1.00 0.00 C ATOM 665 NE ARG A 57 7.559 -5.101 -3.575 1.00 0.00 N ATOM 666 CZ ARG A 57 8.517 -4.268 -3.883 1.00 0.00 C ATOM 667 NH1 ARG A 57 9.152 -3.621 -2.941 1.00 0.00 N ATOM 668 NH2 ARG A 57 8.836 -4.073 -5.134 1.00 0.00 N ATOM 0 H ARG A 57 4.999 -6.206 -3.974 1.00 0.00 H new ATOM 0 HA ARG A 57 5.996 -8.502 -5.630 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.348 -8.982 -3.540 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.789 -7.506 -4.376 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.698 -6.790 -2.549 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.792 -7.827 -1.654 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.558 -5.486 -1.482 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.734 -6.418 -2.387 1.00 0.00 H new ATOM 0 HE ARG A 57 6.702 -5.119 -4.128 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.900 -3.766 -1.963 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.900 -2.971 -3.184 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.337 -4.571 -5.871 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.584 -3.422 -5.374 1.00 0.00 H new ATOM 682 N TYR A 58 3.881 -9.663 -4.737 1.00 0.00 N ATOM 683 CA TYR A 58 2.856 -10.557 -4.132 1.00 0.00 C ATOM 684 C TYR A 58 3.412 -11.975 -4.025 1.00 0.00 C ATOM 685 O TYR A 58 3.761 -12.590 -5.010 1.00 0.00 O ATOM 686 CB TYR A 58 1.604 -10.527 -5.009 1.00 0.00 C ATOM 687 CG TYR A 58 0.938 -9.201 -4.821 1.00 0.00 C ATOM 688 CD1 TYR A 58 0.580 -8.802 -3.536 1.00 0.00 C ATOM 689 CD2 TYR A 58 0.673 -8.378 -5.917 1.00 0.00 C ATOM 690 CE1 TYR A 58 -0.046 -7.578 -3.337 1.00 0.00 C ATOM 691 CE2 TYR A 58 0.041 -7.150 -5.718 1.00 0.00 C ATOM 692 CZ TYR A 58 -0.319 -6.753 -4.423 1.00 0.00 C ATOM 693 OH TYR A 58 -0.958 -5.556 -4.214 1.00 0.00 O ATOM 0 H TYR A 58 3.873 -9.620 -5.756 1.00 0.00 H new ATOM 0 HA TYR A 58 2.598 -10.217 -3.129 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.869 -10.675 -6.056 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.927 -11.336 -4.734 1.00 0.00 H new ATOM 0 HD1 TYR A 58 0.789 -9.445 -2.693 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.955 -8.690 -6.912 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -0.321 -7.267 -2.340 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.170 -6.507 -6.560 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.932 -5.334 -3.260 1.00 0.00 H new ATOM 703 N VAL A 59 3.519 -12.489 -2.827 1.00 0.00 N ATOM 704 CA VAL A 59 4.082 -13.858 -2.651 1.00 0.00 C ATOM 705 C VAL A 59 2.981 -14.866 -2.288 1.00 0.00 C ATOM 706 O VAL A 59 3.091 -16.036 -2.590 1.00 0.00 O ATOM 707 CB VAL A 59 5.129 -13.833 -1.534 1.00 0.00 C ATOM 708 CG1 VAL A 59 5.687 -15.242 -1.325 1.00 0.00 C ATOM 709 CG2 VAL A 59 6.267 -12.885 -1.924 1.00 0.00 C ATOM 0 H VAL A 59 3.241 -12.020 -1.965 1.00 0.00 H new ATOM 0 HA VAL A 59 4.538 -14.167 -3.592 1.00 0.00 H new ATOM 0 HB VAL A 59 4.667 -13.486 -0.610 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.432 -15.224 -0.530 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.877 -15.917 -1.048 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.150 -15.591 -2.248 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.013 -12.866 -1.130 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.729 -13.232 -2.848 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.869 -11.881 -2.072 1.00 0.00 H new ATOM 719 N LEU A 60 1.929 -14.442 -1.636 1.00 0.00 N ATOM 720 CA LEU A 60 0.860 -15.412 -1.265 1.00 0.00 C ATOM 721 C LEU A 60 -0.267 -15.355 -2.299 1.00 0.00 C ATOM 722 O LEU A 60 -0.551 -14.310 -2.845 1.00 0.00 O ATOM 723 CB LEU A 60 0.304 -15.048 0.114 1.00 0.00 C ATOM 724 CG LEU A 60 0.218 -16.299 0.987 1.00 0.00 C ATOM 725 CD1 LEU A 60 1.028 -16.087 2.269 1.00 0.00 C ATOM 726 CD2 LEU A 60 -1.245 -16.564 1.349 1.00 0.00 C ATOM 0 H LEU A 60 1.766 -13.477 -1.348 1.00 0.00 H new ATOM 0 HA LEU A 60 1.276 -16.419 -1.239 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.945 -14.305 0.590 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.683 -14.598 0.010 1.00 0.00 H new ATOM 0 HG LEU A 60 0.621 -17.152 0.441 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.966 -16.980 2.891 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.070 -15.895 2.013 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.626 -15.235 2.817 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.310 -17.456 1.972 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.645 -15.710 1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.824 -16.715 0.438 1.00 0.00 H new ATOM 738 N PRO A 61 -0.882 -16.484 -2.528 1.00 0.00 N ATOM 739 CA PRO A 61 -1.996 -16.597 -3.481 1.00 0.00 C ATOM 740 C PRO A 61 -3.282 -16.063 -2.843 1.00 0.00 C ATOM 741 O PRO A 61 -3.693 -16.510 -1.790 1.00 0.00 O ATOM 742 CB PRO A 61 -2.095 -18.101 -3.741 1.00 0.00 C ATOM 743 CG PRO A 61 -1.438 -18.796 -2.525 1.00 0.00 C ATOM 744 CD PRO A 61 -0.522 -17.751 -1.862 1.00 0.00 C ATOM 0 HA PRO A 61 -1.846 -16.026 -4.397 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.135 -18.409 -3.850 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.584 -18.370 -4.666 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.195 -19.148 -1.824 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -0.866 -19.668 -2.840 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.691 -17.698 -0.786 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.531 -17.993 -2.008 1.00 0.00 H new ATOM 752 N GLY A 62 -3.915 -15.108 -3.466 1.00 0.00 N ATOM 753 CA GLY A 62 -5.168 -14.544 -2.887 1.00 0.00 C ATOM 754 C GLY A 62 -5.416 -13.152 -3.467 1.00 0.00 C ATOM 755 O GLY A 62 -4.899 -12.804 -4.507 1.00 0.00 O ATOM 0 H GLY A 62 -3.620 -14.694 -4.350 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.011 -15.198 -3.110 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.087 -14.488 -1.801 1.00 0.00 H new ATOM 759 N ARG A 63 -6.207 -12.350 -2.806 1.00 0.00 N ATOM 760 CA ARG A 63 -6.483 -10.984 -3.332 1.00 0.00 C ATOM 761 C ARG A 63 -5.841 -9.932 -2.428 1.00 0.00 C ATOM 762 O ARG A 63 -6.066 -9.900 -1.234 1.00 0.00 O ATOM 763 CB ARG A 63 -7.994 -10.756 -3.388 1.00 0.00 C ATOM 764 CG ARG A 63 -8.572 -11.488 -4.600 1.00 0.00 C ATOM 765 CD ARG A 63 -9.999 -11.940 -4.292 1.00 0.00 C ATOM 766 NE ARG A 63 -10.902 -10.754 -4.263 1.00 0.00 N ATOM 767 CZ ARG A 63 -11.463 -10.389 -3.143 1.00 0.00 C ATOM 768 NH1 ARG A 63 -12.330 -11.171 -2.563 1.00 0.00 N ATOM 769 NH2 ARG A 63 -11.155 -9.241 -2.603 1.00 0.00 N ATOM 0 H ARG A 63 -6.672 -12.581 -1.928 1.00 0.00 H new ATOM 0 HA ARG A 63 -6.061 -10.896 -4.333 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -8.462 -11.119 -2.473 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.210 -9.690 -3.456 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.567 -10.832 -5.470 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.952 -12.350 -4.847 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -10.338 -12.650 -5.047 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -10.029 -12.457 -3.333 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.081 -10.228 -5.118 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -12.570 -12.068 -2.985 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -12.769 -10.886 -1.687 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.476 -8.630 -3.057 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.593 -8.955 -1.727 1.00 0.00 H new ATOM 783 N TYR A 64 -5.044 -9.066 -2.992 1.00 0.00 N ATOM 784 CA TYR A 64 -4.385 -8.007 -2.178 1.00 0.00 C ATOM 785 C TYR A 64 -5.011 -6.652 -2.502 1.00 0.00 C ATOM 786 O TYR A 64 -5.571 -6.456 -3.563 1.00 0.00 O ATOM 787 CB TYR A 64 -2.905 -7.923 -2.533 1.00 0.00 C ATOM 788 CG TYR A 64 -2.157 -9.146 -2.065 1.00 0.00 C ATOM 789 CD1 TYR A 64 -2.148 -10.305 -2.852 1.00 0.00 C ATOM 790 CD2 TYR A 64 -1.428 -9.104 -0.871 1.00 0.00 C ATOM 791 CE1 TYR A 64 -1.407 -11.418 -2.444 1.00 0.00 C ATOM 792 CE2 TYR A 64 -0.696 -10.220 -0.458 1.00 0.00 C ATOM 793 CZ TYR A 64 -0.682 -11.378 -1.246 1.00 0.00 C ATOM 794 OH TYR A 64 0.061 -12.470 -0.847 1.00 0.00 O ATOM 0 H TYR A 64 -4.820 -9.047 -3.987 1.00 0.00 H new ATOM 0 HA TYR A 64 -4.511 -8.253 -1.124 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -2.794 -7.817 -3.612 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -2.470 -7.033 -2.079 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -2.712 -10.339 -3.772 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -1.431 -8.208 -0.268 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -1.393 -12.310 -3.053 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -0.141 -10.190 0.468 1.00 0.00 H new ATOM 0 HH TYR A 64 0.682 -12.202 -0.138 1.00 0.00 H new ATOM 804 N HIS A 65 -4.890 -5.708 -1.609 1.00 0.00 N ATOM 805 CA HIS A 65 -5.446 -4.353 -1.870 1.00 0.00 C ATOM 806 C HIS A 65 -4.285 -3.364 -2.002 1.00 0.00 C ATOM 807 O HIS A 65 -3.422 -3.290 -1.150 1.00 0.00 O ATOM 808 CB HIS A 65 -6.354 -3.938 -0.714 1.00 0.00 C ATOM 809 CG HIS A 65 -6.899 -2.562 -0.978 1.00 0.00 C ATOM 810 ND1 HIS A 65 -8.038 -2.352 -1.737 1.00 0.00 N ATOM 811 CD2 HIS A 65 -6.470 -1.316 -0.594 1.00 0.00 C ATOM 812 CE1 HIS A 65 -8.255 -1.025 -1.787 1.00 0.00 C ATOM 813 NE2 HIS A 65 -7.327 -0.347 -1.107 1.00 0.00 N ATOM 0 H HIS A 65 -4.428 -5.819 -0.707 1.00 0.00 H new ATOM 0 HA HIS A 65 -6.031 -4.361 -2.790 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -7.172 -4.651 -0.605 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -5.796 -3.947 0.223 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -8.609 -3.073 -2.178 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -5.600 -1.118 0.014 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -9.079 -0.565 -2.313 1.00 0.00 H new ATOM 821 N VAL A 66 -4.243 -2.616 -3.071 1.00 0.00 N ATOM 822 CA VAL A 66 -3.125 -1.648 -3.267 1.00 0.00 C ATOM 823 C VAL A 66 -3.612 -0.216 -3.071 1.00 0.00 C ATOM 824 O VAL A 66 -4.746 0.109 -3.350 1.00 0.00 O ATOM 825 CB VAL A 66 -2.583 -1.779 -4.690 1.00 0.00 C ATOM 826 CG1 VAL A 66 -1.453 -0.771 -4.904 1.00 0.00 C ATOM 827 CG2 VAL A 66 -2.057 -3.192 -4.904 1.00 0.00 C ATOM 0 H VAL A 66 -4.936 -2.633 -3.819 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.347 -1.870 -2.536 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.383 -1.578 -5.403 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.068 -0.866 -5.919 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.833 0.239 -4.753 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.651 -0.967 -4.192 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.670 -3.286 -5.919 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.258 -3.395 -4.191 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.866 -3.908 -4.756 1.00 0.00 H new ATOM 837 N THR A 67 -2.740 0.644 -2.620 1.00 0.00 N ATOM 838 CA THR A 67 -3.104 2.077 -2.430 1.00 0.00 C ATOM 839 C THR A 67 -1.854 2.915 -2.696 1.00 0.00 C ATOM 840 O THR A 67 -0.745 2.431 -2.577 1.00 0.00 O ATOM 841 CB THR A 67 -3.589 2.326 -0.996 1.00 0.00 C ATOM 842 OG1 THR A 67 -2.482 2.670 -0.176 1.00 0.00 O ATOM 843 CG2 THR A 67 -4.262 1.070 -0.444 1.00 0.00 C ATOM 0 H THR A 67 -1.778 0.411 -2.372 1.00 0.00 H new ATOM 0 HA THR A 67 -3.909 2.347 -3.113 1.00 0.00 H new ATOM 0 HB THR A 67 -4.311 3.143 -1.000 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.791 2.831 0.740 1.00 0.00 H new ATOM 0 HG21 THR A 67 -4.603 1.257 0.574 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.115 0.810 -1.070 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.549 0.246 -0.442 1.00 0.00 H new ATOM 851 N ALA A 68 -2.005 4.157 -3.063 1.00 0.00 N ATOM 852 CA ALA A 68 -0.791 4.984 -3.333 1.00 0.00 C ATOM 853 C ALA A 68 -1.076 6.461 -3.080 1.00 0.00 C ATOM 854 O ALA A 68 -2.205 6.888 -2.978 1.00 0.00 O ATOM 855 CB ALA A 68 -0.354 4.808 -4.793 1.00 0.00 C ATOM 0 H ALA A 68 -2.900 4.631 -3.187 1.00 0.00 H new ATOM 0 HA ALA A 68 0.001 4.652 -2.662 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.532 5.414 -4.983 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.123 3.759 -4.980 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.160 5.126 -5.455 1.00 0.00 H new ATOM 861 N VAL A 69 -0.041 7.242 -3.005 1.00 0.00 N ATOM 862 CA VAL A 69 -0.206 8.700 -2.799 1.00 0.00 C ATOM 863 C VAL A 69 0.852 9.397 -3.645 1.00 0.00 C ATOM 864 O VAL A 69 2.009 9.036 -3.626 1.00 0.00 O ATOM 865 CB VAL A 69 -0.036 9.061 -1.318 1.00 0.00 C ATOM 866 CG1 VAL A 69 1.417 8.859 -0.891 1.00 0.00 C ATOM 867 CG2 VAL A 69 -0.424 10.526 -1.108 1.00 0.00 C ATOM 0 H VAL A 69 0.926 6.926 -3.079 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.206 9.018 -3.095 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.678 8.416 -0.718 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.526 9.118 0.162 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.698 7.816 -1.039 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.065 9.498 -1.491 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.305 10.787 -0.056 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.219 11.163 -1.715 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.463 10.673 -1.403 1.00 0.00 H new ATOM 877 N LEU A 70 0.469 10.369 -4.414 1.00 0.00 N ATOM 878 CA LEU A 70 1.468 11.048 -5.283 1.00 0.00 C ATOM 879 C LEU A 70 2.106 12.185 -4.501 1.00 0.00 C ATOM 880 O LEU A 70 1.440 12.888 -3.774 1.00 0.00 O ATOM 881 CB LEU A 70 0.783 11.658 -6.511 1.00 0.00 C ATOM 882 CG LEU A 70 0.267 10.583 -7.478 1.00 0.00 C ATOM 883 CD1 LEU A 70 1.243 10.456 -8.636 1.00 0.00 C ATOM 884 CD2 LEU A 70 0.124 9.231 -6.778 1.00 0.00 C ATOM 0 H LEU A 70 -0.485 10.724 -4.481 1.00 0.00 H new ATOM 0 HA LEU A 70 2.210 10.315 -5.599 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.049 12.284 -6.188 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.486 12.307 -7.033 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.717 10.881 -7.840 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.887 9.695 -9.330 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.319 11.412 -9.154 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.224 10.170 -8.256 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.243 8.490 -7.489 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.094 8.916 -6.394 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.581 9.322 -5.952 1.00 0.00 H new ATOM 896 N ALA A 71 3.381 12.395 -4.648 1.00 0.00 N ATOM 897 CA ALA A 71 4.003 13.521 -3.912 1.00 0.00 C ATOM 898 C ALA A 71 4.826 14.366 -4.861 1.00 0.00 C ATOM 899 O ALA A 71 5.890 13.989 -5.309 1.00 0.00 O ATOM 900 CB ALA A 71 4.900 13.029 -2.797 1.00 0.00 C ATOM 0 H ALA A 71 4.009 11.846 -5.235 1.00 0.00 H new ATOM 0 HA ALA A 71 3.198 14.113 -3.477 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.339 13.882 -2.280 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.314 12.439 -2.092 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.694 12.411 -3.215 1.00 0.00 H new ATOM 906 N LEU A 72 4.332 15.519 -5.143 1.00 0.00 N ATOM 907 CA LEU A 72 5.044 16.456 -6.041 1.00 0.00 C ATOM 908 C LEU A 72 5.625 17.593 -5.206 1.00 0.00 C ATOM 909 O LEU A 72 6.373 18.419 -5.687 1.00 0.00 O ATOM 910 CB LEU A 72 4.038 17.042 -7.018 1.00 0.00 C ATOM 911 CG LEU A 72 4.476 16.762 -8.455 1.00 0.00 C ATOM 912 CD1 LEU A 72 3.587 17.552 -9.417 1.00 0.00 C ATOM 913 CD2 LEU A 72 5.934 17.197 -8.640 1.00 0.00 C ATOM 0 H LEU A 72 3.443 15.866 -4.783 1.00 0.00 H new ATOM 0 HA LEU A 72 5.840 15.936 -6.575 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.053 16.611 -6.840 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.949 18.117 -6.860 1.00 0.00 H new ATOM 0 HG LEU A 72 4.386 15.696 -8.662 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.896 17.355 -10.443 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.549 17.247 -9.286 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.682 18.618 -9.208 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.246 16.997 -9.665 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.024 18.264 -8.435 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.570 16.640 -7.952 1.00 0.00 H new ATOM 925 N GLY A 73 5.250 17.655 -3.964 1.00 0.00 N ATOM 926 CA GLY A 73 5.734 18.753 -3.086 1.00 0.00 C ATOM 927 C GLY A 73 4.597 19.764 -2.941 1.00 0.00 C ATOM 928 O GLY A 73 4.248 20.176 -1.854 1.00 0.00 O ATOM 0 H GLY A 73 4.624 16.987 -3.514 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.026 18.363 -2.111 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.616 19.227 -3.517 1.00 0.00 H new ATOM 932 N ALA A 74 4.005 20.146 -4.043 1.00 0.00 N ATOM 933 CA ALA A 74 2.870 21.109 -3.997 1.00 0.00 C ATOM 934 C ALA A 74 1.593 20.426 -4.508 1.00 0.00 C ATOM 935 O ALA A 74 0.520 20.995 -4.468 1.00 0.00 O ATOM 936 CB ALA A 74 3.188 22.310 -4.886 1.00 0.00 C ATOM 0 H ALA A 74 4.263 19.829 -4.978 1.00 0.00 H new ATOM 0 HA ALA A 74 2.719 21.441 -2.970 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.358 23.016 -4.854 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.094 22.798 -4.528 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.339 21.974 -5.912 1.00 0.00 H new ATOM 942 N GLY A 75 1.697 19.215 -4.989 1.00 0.00 N ATOM 943 CA GLY A 75 0.490 18.504 -5.503 1.00 0.00 C ATOM 944 C GLY A 75 0.578 17.022 -5.131 1.00 0.00 C ATOM 945 O GLY A 75 1.646 16.491 -4.907 1.00 0.00 O ATOM 0 H GLY A 75 2.568 18.687 -5.048 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.413 18.944 -5.080 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.422 18.616 -6.585 1.00 0.00 H new ATOM 949 N SER A 76 -0.539 16.354 -5.051 1.00 0.00 N ATOM 950 CA SER A 76 -0.520 14.911 -4.683 1.00 0.00 C ATOM 951 C SER A 76 -1.718 14.202 -5.322 1.00 0.00 C ATOM 952 O SER A 76 -2.525 14.808 -5.998 1.00 0.00 O ATOM 953 CB SER A 76 -0.615 14.795 -3.165 1.00 0.00 C ATOM 954 OG SER A 76 -1.973 14.923 -2.768 1.00 0.00 O ATOM 0 H SER A 76 -1.465 16.745 -5.225 1.00 0.00 H new ATOM 0 HA SER A 76 0.401 14.449 -5.039 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.217 13.835 -2.837 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.011 15.569 -2.691 1.00 0.00 H new ATOM 0 HG SER A 76 -2.037 14.847 -1.793 1.00 0.00 H new ATOM 960 N ALA A 77 -1.842 12.924 -5.099 1.00 0.00 N ATOM 961 CA ALA A 77 -2.987 12.164 -5.675 1.00 0.00 C ATOM 962 C ALA A 77 -3.230 10.920 -4.819 1.00 0.00 C ATOM 963 O ALA A 77 -2.441 10.595 -3.955 1.00 0.00 O ATOM 964 CB ALA A 77 -2.659 11.743 -7.109 1.00 0.00 C ATOM 0 H ALA A 77 -1.195 12.369 -4.539 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.879 12.790 -5.685 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.499 11.188 -7.526 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.473 12.630 -7.715 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.771 11.111 -7.109 1.00 0.00 H new ATOM 970 N LEU A 78 -4.310 10.221 -5.044 1.00 0.00 N ATOM 971 CA LEU A 78 -4.583 9.003 -4.227 1.00 0.00 C ATOM 972 C LEU A 78 -4.772 7.796 -5.141 1.00 0.00 C ATOM 973 O LEU A 78 -5.431 7.867 -6.158 1.00 0.00 O ATOM 974 CB LEU A 78 -5.846 9.216 -3.392 1.00 0.00 C ATOM 975 CG LEU A 78 -5.487 9.983 -2.118 1.00 0.00 C ATOM 976 CD1 LEU A 78 -6.164 11.354 -2.138 1.00 0.00 C ATOM 977 CD2 LEU A 78 -5.972 9.201 -0.897 1.00 0.00 C ATOM 0 H LEU A 78 -5.011 10.438 -5.753 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.737 8.821 -3.564 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.587 9.771 -3.968 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.294 8.255 -3.138 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.406 10.109 -2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.908 11.900 -1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.823 11.916 -3.007 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.245 11.225 -2.191 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.716 9.748 0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.053 9.075 -0.952 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.493 8.222 -0.878 1.00 0.00 H new ATOM 989 N LEU A 79 -4.184 6.687 -4.784 1.00 0.00 N ATOM 990 CA LEU A 79 -4.309 5.467 -5.620 1.00 0.00 C ATOM 991 C LEU A 79 -4.966 4.357 -4.813 1.00 0.00 C ATOM 992 O LEU A 79 -4.952 4.366 -3.598 1.00 0.00 O ATOM 993 CB LEU A 79 -2.912 5.014 -6.036 1.00 0.00 C ATOM 994 CG LEU A 79 -2.827 4.797 -7.545 1.00 0.00 C ATOM 995 CD1 LEU A 79 -2.864 3.296 -7.845 1.00 0.00 C ATOM 996 CD2 LEU A 79 -3.994 5.496 -8.244 1.00 0.00 C ATOM 0 H LEU A 79 -3.619 6.576 -3.942 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.916 5.686 -6.498 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.179 5.761 -5.732 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.658 4.089 -5.518 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.893 5.219 -7.916 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.803 3.139 -8.922 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.020 2.807 -7.359 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.795 2.872 -7.468 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.923 5.335 -9.320 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.935 5.087 -7.877 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.956 6.565 -8.034 1.00 0.00 H new ATOM 1008 N GLY A 80 -5.535 3.395 -5.486 1.00 0.00 N ATOM 1009 CA GLY A 80 -6.198 2.272 -4.773 1.00 0.00 C ATOM 1010 C GLY A 80 -6.562 1.163 -5.766 1.00 0.00 C ATOM 1011 O GLY A 80 -7.604 1.200 -6.391 1.00 0.00 O ATOM 0 H GLY A 80 -5.568 3.340 -6.504 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.536 1.878 -4.002 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.096 2.630 -4.269 1.00 0.00 H new ATOM 1015 N THR A 81 -5.717 0.174 -5.918 1.00 0.00 N ATOM 1016 CA THR A 81 -6.023 -0.933 -6.877 1.00 0.00 C ATOM 1017 C THR A 81 -6.205 -2.255 -6.117 1.00 0.00 C ATOM 1018 O THR A 81 -6.238 -2.287 -4.904 1.00 0.00 O ATOM 1019 CB THR A 81 -4.871 -1.080 -7.883 1.00 0.00 C ATOM 1020 OG1 THR A 81 -3.985 -2.102 -7.445 1.00 0.00 O ATOM 1021 CG2 THR A 81 -4.103 0.236 -8.000 1.00 0.00 C ATOM 0 H THR A 81 -4.831 0.085 -5.421 1.00 0.00 H new ATOM 0 HA THR A 81 -6.945 -0.694 -7.408 1.00 0.00 H new ATOM 0 HB THR A 81 -5.284 -1.342 -8.857 1.00 0.00 H new ATOM 0 HG1 THR A 81 -3.942 -2.809 -8.122 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.289 0.120 -8.716 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.777 1.022 -8.342 1.00 0.00 H new ATOM 0 HG23 THR A 81 -3.694 0.507 -7.026 1.00 0.00 H new ATOM 1029 N ASP A 82 -6.321 -3.346 -6.832 1.00 0.00 N ATOM 1030 CA ASP A 82 -6.492 -4.677 -6.175 1.00 0.00 C ATOM 1031 C ASP A 82 -5.884 -5.749 -7.086 1.00 0.00 C ATOM 1032 O ASP A 82 -5.892 -5.614 -8.293 1.00 0.00 O ATOM 1033 CB ASP A 82 -7.982 -4.967 -5.975 1.00 0.00 C ATOM 1034 CG ASP A 82 -8.194 -5.617 -4.608 1.00 0.00 C ATOM 1035 OD1 ASP A 82 -8.249 -4.890 -3.630 1.00 0.00 O ATOM 1036 OD2 ASP A 82 -8.298 -6.832 -4.561 1.00 0.00 O ATOM 0 H ASP A 82 -6.304 -3.371 -7.852 1.00 0.00 H new ATOM 0 HA ASP A 82 -5.996 -4.679 -5.205 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.556 -4.043 -6.043 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.344 -5.626 -6.764 1.00 0.00 H new ATOM 1041 N VAL A 83 -5.352 -6.809 -6.533 1.00 0.00 N ATOM 1042 CA VAL A 83 -4.750 -7.860 -7.402 1.00 0.00 C ATOM 1043 C VAL A 83 -5.233 -9.242 -6.961 1.00 0.00 C ATOM 1044 O VAL A 83 -5.570 -9.455 -5.814 1.00 0.00 O ATOM 1045 CB VAL A 83 -3.215 -7.812 -7.317 1.00 0.00 C ATOM 1046 CG1 VAL A 83 -2.749 -6.832 -6.237 1.00 0.00 C ATOM 1047 CG2 VAL A 83 -2.689 -9.199 -6.960 1.00 0.00 C ATOM 0 H VAL A 83 -5.309 -6.990 -5.530 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.059 -7.674 -8.431 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.834 -7.484 -8.284 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.660 -6.821 -6.202 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.115 -5.832 -6.471 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.140 -7.144 -5.269 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.601 -9.171 -6.898 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.099 -9.507 -5.998 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.991 -9.911 -7.728 1.00 0.00 H new ATOM 1057 N GLN A 84 -5.256 -10.185 -7.865 1.00 0.00 N ATOM 1058 CA GLN A 84 -5.700 -11.562 -7.507 1.00 0.00 C ATOM 1059 C GLN A 84 -4.577 -12.548 -7.842 1.00 0.00 C ATOM 1060 O GLN A 84 -4.506 -13.079 -8.931 1.00 0.00 O ATOM 1061 CB GLN A 84 -6.953 -11.920 -8.308 1.00 0.00 C ATOM 1062 CG GLN A 84 -7.580 -13.191 -7.733 1.00 0.00 C ATOM 1063 CD GLN A 84 -8.818 -13.563 -8.549 1.00 0.00 C ATOM 1064 OE1 GLN A 84 -9.854 -12.941 -8.421 1.00 0.00 O ATOM 1065 NE2 GLN A 84 -8.753 -14.558 -9.389 1.00 0.00 N ATOM 0 H GLN A 84 -4.985 -10.059 -8.840 1.00 0.00 H new ATOM 0 HA GLN A 84 -5.930 -11.612 -6.443 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -7.669 -11.099 -8.270 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -6.697 -12.071 -9.357 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -6.858 -14.007 -7.755 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -7.853 -13.035 -6.689 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -7.883 -15.079 -9.496 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -9.572 -14.815 -9.940 1.00 0.00 H new ATOM 1074 N VAL A 85 -3.693 -12.787 -6.914 1.00 0.00 N ATOM 1075 CA VAL A 85 -2.565 -13.725 -7.172 1.00 0.00 C ATOM 1076 C VAL A 85 -3.049 -15.171 -7.029 1.00 0.00 C ATOM 1077 O VAL A 85 -3.874 -15.480 -6.194 1.00 0.00 O ATOM 1078 CB VAL A 85 -1.446 -13.445 -6.168 1.00 0.00 C ATOM 1079 CG1 VAL A 85 -0.304 -14.446 -6.361 1.00 0.00 C ATOM 1080 CG2 VAL A 85 -0.922 -12.027 -6.395 1.00 0.00 C ATOM 0 H VAL A 85 -3.703 -12.371 -5.983 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.190 -13.581 -8.185 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.835 -13.544 -5.154 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.488 -14.238 -5.641 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.678 -15.458 -6.207 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.092 -14.355 -7.372 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.123 -11.816 -5.684 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.536 -11.940 -7.411 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.733 -11.312 -6.252 1.00 0.00 H new ATOM 1090 N GLU A 86 -2.543 -16.057 -7.847 1.00 0.00 N ATOM 1091 CA GLU A 86 -2.974 -17.483 -7.768 1.00 0.00 C ATOM 1092 C GLU A 86 -1.785 -18.359 -7.366 1.00 0.00 C ATOM 1093 O GLU A 86 -0.665 -17.898 -7.277 1.00 0.00 O ATOM 1094 CB GLU A 86 -3.494 -17.930 -9.136 1.00 0.00 C ATOM 1095 CG GLU A 86 -4.227 -16.767 -9.810 1.00 0.00 C ATOM 1096 CD GLU A 86 -5.126 -17.305 -10.924 1.00 0.00 C ATOM 1097 OE1 GLU A 86 -4.852 -18.389 -11.411 1.00 0.00 O ATOM 1098 OE2 GLU A 86 -6.077 -16.622 -11.272 1.00 0.00 O ATOM 0 H GLU A 86 -1.849 -15.854 -8.567 1.00 0.00 H new ATOM 0 HA GLU A 86 -3.764 -17.583 -7.023 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -2.665 -18.262 -9.761 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.167 -18.780 -9.021 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.824 -16.226 -9.076 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -3.507 -16.059 -10.220 1.00 0.00 H new ATOM 1105 N ALA A 87 -2.018 -19.621 -7.120 1.00 0.00 N ATOM 1106 CA ALA A 87 -0.899 -20.522 -6.723 1.00 0.00 C ATOM 1107 C ALA A 87 -0.954 -21.810 -7.547 1.00 0.00 C ATOM 1108 O ALA A 87 -2.013 -22.308 -7.873 1.00 0.00 O ATOM 1109 CB ALA A 87 -1.023 -20.868 -5.238 1.00 0.00 C ATOM 0 H ALA A 87 -2.934 -20.066 -7.177 1.00 0.00 H new ATOM 0 HA ALA A 87 0.049 -20.016 -6.904 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.204 -21.527 -4.948 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.979 -19.954 -4.646 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.974 -21.370 -5.060 1.00 0.00 H new