USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=13 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= -20.9! C(o=-26!,f=-23!) USER MOD Set 1.2: A 58 TYR OH : rot 17:sc= -4.62! USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -4.69! C(o=-4.7!,f=-3.1!) USER MOD Single : A 19 SER OG : rot 38:sc= 1.26 USER MOD Single : A 21 GLN : amide:sc= -1.89 K(o=-1.9,f=-7.2!) USER MOD Single : A 26 HIS : no HE2:sc= -13.9! C(o=-14!,f=-16!) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0101 USER MOD Single : A 36 THR OG1 : rot -111:sc= -0.247 USER MOD Single : A 44 SER OG : rot 40:sc= 0.0604 USER MOD Single : A 55 SER OG : rot 180:sc= -0.0161 USER MOD Single : A 64 TYR OH : rot 4:sc= -0.39 USER MOD Single : A 65 HIS : no HD1:sc= -1.36 K(o=-1.4,f=-0.71) USER MOD Single : A 67 THR OG1 : rot 180:sc= -1.24 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 120:sc= -1.68! USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 8 -4.591 10.049 -9.225 1.00 0.00 N ATOM 2 CA ALA A 8 -3.873 9.618 -10.457 1.00 0.00 C ATOM 3 C ALA A 8 -4.483 8.308 -10.956 1.00 0.00 C ATOM 4 O ALA A 8 -5.060 7.554 -10.200 1.00 0.00 O ATOM 5 CB ALA A 8 -2.385 9.431 -10.141 1.00 0.00 C ATOM 0 HA ALA A 8 -3.972 10.376 -11.234 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.859 9.116 -11.042 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -1.967 10.374 -9.788 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -2.270 8.671 -9.369 1.00 0.00 H new ATOM 11 N THR A 9 -4.378 8.042 -12.227 1.00 0.00 N ATOM 12 CA THR A 9 -4.966 6.794 -12.780 1.00 0.00 C ATOM 13 C THR A 9 -4.180 5.598 -12.266 1.00 0.00 C ATOM 14 O THR A 9 -2.988 5.681 -12.020 1.00 0.00 O ATOM 15 CB THR A 9 -4.938 6.833 -14.307 1.00 0.00 C ATOM 16 OG1 THR A 9 -6.124 6.239 -14.814 1.00 0.00 O ATOM 17 CG2 THR A 9 -3.722 6.071 -14.833 1.00 0.00 C ATOM 0 H THR A 9 -3.908 8.638 -12.908 1.00 0.00 H new ATOM 0 HA THR A 9 -6.003 6.706 -12.457 1.00 0.00 H new ATOM 0 HB THR A 9 -4.874 7.870 -14.635 1.00 0.00 H new ATOM 0 HG1 THR A 9 -6.110 6.264 -15.794 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.714 6.106 -15.922 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.811 6.529 -14.448 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.773 5.033 -14.504 1.00 0.00 H new ATOM 25 N LEU A 10 -4.862 4.503 -12.080 1.00 0.00 N ATOM 26 CA LEU A 10 -4.227 3.270 -11.544 1.00 0.00 C ATOM 27 C LEU A 10 -3.749 2.381 -12.689 1.00 0.00 C ATOM 28 O LEU A 10 -4.546 1.775 -13.377 1.00 0.00 O ATOM 29 CB LEU A 10 -5.276 2.482 -10.745 1.00 0.00 C ATOM 30 CG LEU A 10 -5.739 3.271 -9.515 1.00 0.00 C ATOM 31 CD1 LEU A 10 -6.493 4.540 -9.932 1.00 0.00 C ATOM 32 CD2 LEU A 10 -6.672 2.390 -8.684 1.00 0.00 C ATOM 0 H LEU A 10 -5.857 4.411 -12.283 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.381 3.553 -10.917 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.132 2.260 -11.382 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.856 1.526 -10.431 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.863 3.560 -8.934 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.811 5.083 -9.042 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.837 5.174 -10.528 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.367 4.266 -10.522 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.007 2.942 -7.806 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.535 2.106 -9.285 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.139 1.493 -8.367 1.00 0.00 H new ATOM 44 N VAL A 11 -2.467 2.268 -12.893 1.00 0.00 N ATOM 45 CA VAL A 11 -1.983 1.383 -13.982 1.00 0.00 C ATOM 46 C VAL A 11 -1.021 0.357 -13.389 1.00 0.00 C ATOM 47 O VAL A 11 0.094 0.674 -13.038 1.00 0.00 O ATOM 48 CB VAL A 11 -1.269 2.207 -15.042 1.00 0.00 C ATOM 49 CG1 VAL A 11 -1.231 1.412 -16.350 1.00 0.00 C ATOM 50 CG2 VAL A 11 -2.029 3.516 -15.265 1.00 0.00 C ATOM 0 H VAL A 11 -1.742 2.745 -12.358 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.828 0.874 -14.446 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.253 2.429 -14.715 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.721 1.996 -17.116 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.696 0.475 -16.191 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.249 1.198 -16.675 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.519 4.108 -16.025 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.043 3.296 -15.598 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.067 4.078 -14.332 1.00 0.00 H new ATOM 60 N GLY A 12 -1.446 -0.871 -13.260 1.00 0.00 N ATOM 61 CA GLY A 12 -0.552 -1.909 -12.675 1.00 0.00 C ATOM 62 C GLY A 12 -0.304 -3.021 -13.700 1.00 0.00 C ATOM 63 O GLY A 12 -0.871 -4.090 -13.600 1.00 0.00 O ATOM 0 H GLY A 12 -2.372 -1.199 -13.534 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.395 -1.460 -12.377 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.004 -2.326 -11.775 1.00 0.00 H new ATOM 67 N PRO A 13 0.541 -2.729 -14.657 1.00 0.00 N ATOM 68 CA PRO A 13 0.896 -3.682 -15.726 1.00 0.00 C ATOM 69 C PRO A 13 1.813 -4.805 -15.217 1.00 0.00 C ATOM 70 O PRO A 13 2.603 -4.632 -14.302 1.00 0.00 O ATOM 71 CB PRO A 13 1.619 -2.813 -16.759 1.00 0.00 C ATOM 72 CG PRO A 13 2.126 -1.569 -15.997 1.00 0.00 C ATOM 73 CD PRO A 13 1.218 -1.420 -14.765 1.00 0.00 C ATOM 0 HA PRO A 13 0.021 -4.192 -16.129 1.00 0.00 H new ATOM 0 HB2 PRO A 13 2.448 -3.356 -17.213 1.00 0.00 H new ATOM 0 HB3 PRO A 13 0.945 -2.527 -17.567 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.168 -1.692 -15.700 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.077 -0.680 -16.626 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.796 -1.195 -13.869 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.501 -0.609 -14.894 1.00 0.00 H new ATOM 81 N HIS A 14 1.702 -5.954 -15.833 1.00 0.00 N ATOM 82 CA HIS A 14 2.535 -7.133 -15.452 1.00 0.00 C ATOM 83 C HIS A 14 1.945 -8.388 -16.088 1.00 0.00 C ATOM 84 O HIS A 14 2.652 -9.273 -16.530 1.00 0.00 O ATOM 85 CB HIS A 14 2.547 -7.320 -13.934 1.00 0.00 C ATOM 86 CG HIS A 14 3.244 -8.611 -13.607 1.00 0.00 C ATOM 87 ND1 HIS A 14 2.551 -9.766 -13.284 1.00 0.00 N ATOM 88 CD2 HIS A 14 4.574 -8.945 -13.560 1.00 0.00 C ATOM 89 CE1 HIS A 14 3.459 -10.733 -13.058 1.00 0.00 C ATOM 90 NE2 HIS A 14 4.708 -10.285 -13.213 1.00 0.00 N ATOM 0 H HIS A 14 1.054 -6.127 -16.601 1.00 0.00 H new ATOM 0 HA HIS A 14 3.554 -6.964 -15.800 1.00 0.00 H new ATOM 0 HB2 HIS A 14 3.058 -6.484 -13.455 1.00 0.00 H new ATOM 0 HB3 HIS A 14 1.528 -7.334 -13.548 1.00 0.00 H new ATOM 0 HD2 HIS A 14 5.392 -8.270 -13.762 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.209 -11.747 -12.785 1.00 0.00 H new ATOM 0 HE2 HIS A 14 5.574 -10.812 -13.101 1.00 0.00 H new ATOM 98 N GLY A 15 0.651 -8.468 -16.116 1.00 0.00 N ATOM 99 CA GLY A 15 -0.025 -9.661 -16.697 1.00 0.00 C ATOM 100 C GLY A 15 -0.652 -10.458 -15.555 1.00 0.00 C ATOM 101 O GLY A 15 -1.220 -9.885 -14.647 1.00 0.00 O ATOM 0 H GLY A 15 0.021 -7.750 -15.757 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.789 -9.355 -17.411 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.691 -10.276 -17.241 1.00 0.00 H new ATOM 105 N PRO A 16 -0.517 -11.755 -15.618 1.00 0.00 N ATOM 106 CA PRO A 16 -1.049 -12.649 -14.582 1.00 0.00 C ATOM 107 C PRO A 16 -0.123 -12.625 -13.368 1.00 0.00 C ATOM 108 O PRO A 16 1.069 -12.437 -13.493 1.00 0.00 O ATOM 109 CB PRO A 16 -1.044 -14.022 -15.248 1.00 0.00 C ATOM 110 CG PRO A 16 -0.006 -13.944 -16.394 1.00 0.00 C ATOM 111 CD PRO A 16 0.175 -12.448 -16.722 1.00 0.00 C ATOM 0 HA PRO A 16 -2.041 -12.368 -14.228 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.776 -14.800 -14.533 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.032 -14.270 -15.635 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.940 -14.392 -16.091 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.353 -14.494 -17.269 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.229 -12.174 -16.767 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.262 -12.195 -17.688 1.00 0.00 H new ATOM 119 N LEU A 17 -0.655 -12.805 -12.194 1.00 0.00 N ATOM 120 CA LEU A 17 0.209 -12.779 -10.983 1.00 0.00 C ATOM 121 C LEU A 17 0.154 -14.129 -10.274 1.00 0.00 C ATOM 122 O LEU A 17 -0.767 -14.419 -9.543 1.00 0.00 O ATOM 123 CB LEU A 17 -0.277 -11.685 -10.029 1.00 0.00 C ATOM 124 CG LEU A 17 0.184 -10.319 -10.541 1.00 0.00 C ATOM 125 CD1 LEU A 17 -0.610 -9.217 -9.838 1.00 0.00 C ATOM 126 CD2 LEU A 17 1.675 -10.139 -10.244 1.00 0.00 C ATOM 0 H LEU A 17 -1.647 -12.968 -12.020 1.00 0.00 H new ATOM 0 HA LEU A 17 1.236 -12.573 -11.284 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.364 -11.709 -9.955 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.115 -11.861 -9.027 1.00 0.00 H new ATOM 0 HG LEU A 17 0.017 -10.259 -11.616 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.282 -8.243 -10.202 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.672 -9.344 -10.047 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.442 -9.277 -8.763 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.004 -9.166 -10.609 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.842 -10.199 -9.168 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.243 -10.924 -10.743 1.00 0.00 H new ATOM 138 N ALA A 18 1.140 -14.954 -10.474 1.00 0.00 N ATOM 139 CA ALA A 18 1.148 -16.275 -9.794 1.00 0.00 C ATOM 140 C ALA A 18 1.786 -16.105 -8.415 1.00 0.00 C ATOM 141 O ALA A 18 2.311 -15.059 -8.096 1.00 0.00 O ATOM 142 CB ALA A 18 1.961 -17.275 -10.619 1.00 0.00 C ATOM 0 H ALA A 18 1.941 -14.771 -11.079 1.00 0.00 H new ATOM 0 HA ALA A 18 0.129 -16.649 -9.692 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.965 -18.243 -10.117 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.513 -17.380 -11.607 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.985 -16.915 -10.721 1.00 0.00 H new ATOM 148 N SER A 19 1.732 -17.112 -7.590 1.00 0.00 N ATOM 149 CA SER A 19 2.329 -16.994 -6.230 1.00 0.00 C ATOM 150 C SER A 19 3.795 -16.565 -6.341 1.00 0.00 C ATOM 151 O SER A 19 4.584 -17.183 -7.028 1.00 0.00 O ATOM 152 CB SER A 19 2.247 -18.344 -5.520 1.00 0.00 C ATOM 153 OG SER A 19 2.899 -18.251 -4.260 1.00 0.00 O ATOM 0 H SER A 19 1.300 -18.012 -7.798 1.00 0.00 H new ATOM 0 HA SER A 19 1.778 -16.246 -5.660 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.205 -18.633 -5.383 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.715 -19.117 -6.129 1.00 0.00 H new ATOM 0 HG SER A 19 2.721 -17.373 -3.863 1.00 0.00 H new ATOM 159 N GLY A 20 4.162 -15.511 -5.664 1.00 0.00 N ATOM 160 CA GLY A 20 5.574 -15.037 -5.721 1.00 0.00 C ATOM 161 C GLY A 20 5.807 -14.293 -7.035 1.00 0.00 C ATOM 162 O GLY A 20 6.731 -14.587 -7.767 1.00 0.00 O ATOM 0 H GLY A 20 3.543 -14.957 -5.072 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.783 -14.380 -4.877 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.257 -15.883 -5.643 1.00 0.00 H new ATOM 166 N GLN A 21 4.971 -13.341 -7.345 1.00 0.00 N ATOM 167 CA GLN A 21 5.146 -12.592 -8.623 1.00 0.00 C ATOM 168 C GLN A 21 5.465 -11.120 -8.352 1.00 0.00 C ATOM 169 O GLN A 21 5.038 -10.543 -7.367 1.00 0.00 O ATOM 170 CB GLN A 21 3.862 -12.683 -9.444 1.00 0.00 C ATOM 171 CG GLN A 21 4.191 -13.217 -10.838 1.00 0.00 C ATOM 172 CD GLN A 21 4.451 -14.723 -10.765 1.00 0.00 C ATOM 173 OE1 GLN A 21 4.680 -15.264 -9.701 1.00 0.00 O ATOM 174 NE2 GLN A 21 4.424 -15.429 -11.861 1.00 0.00 N ATOM 0 H GLN A 21 4.178 -13.050 -6.773 1.00 0.00 H new ATOM 0 HA GLN A 21 5.977 -13.035 -9.172 1.00 0.00 H new ATOM 0 HB2 GLN A 21 3.146 -13.340 -8.950 1.00 0.00 H new ATOM 0 HB3 GLN A 21 3.394 -11.701 -9.519 1.00 0.00 H new ATOM 0 HG2 GLN A 21 3.366 -13.013 -11.520 1.00 0.00 H new ATOM 0 HG3 GLN A 21 5.067 -12.706 -11.236 1.00 0.00 H new ATOM 0 HE21 GLN A 21 4.232 -14.976 -12.755 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.595 -16.434 -11.825 1.00 0.00 H new ATOM 183 N LEU A 22 6.209 -10.513 -9.240 1.00 0.00 N ATOM 184 CA LEU A 22 6.572 -9.078 -9.083 1.00 0.00 C ATOM 185 C LEU A 22 5.824 -8.259 -10.134 1.00 0.00 C ATOM 186 O LEU A 22 6.258 -8.138 -11.262 1.00 0.00 O ATOM 187 CB LEU A 22 8.084 -8.915 -9.294 1.00 0.00 C ATOM 188 CG LEU A 22 8.568 -7.545 -8.785 1.00 0.00 C ATOM 189 CD1 LEU A 22 7.980 -6.412 -9.636 1.00 0.00 C ATOM 190 CD2 LEU A 22 8.138 -7.354 -7.330 1.00 0.00 C ATOM 0 H LEU A 22 6.584 -10.959 -10.077 1.00 0.00 H new ATOM 0 HA LEU A 22 6.302 -8.733 -8.085 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.616 -9.710 -8.771 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.320 -9.017 -10.353 1.00 0.00 H new ATOM 0 HG LEU A 22 9.655 -7.516 -8.858 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.335 -5.453 -9.259 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.295 -6.534 -10.672 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.892 -6.443 -9.582 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.482 -6.383 -6.973 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.051 -7.401 -7.263 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.574 -8.142 -6.715 1.00 0.00 H new ATOM 202 N ALA A 23 4.712 -7.680 -9.778 1.00 0.00 N ATOM 203 CA ALA A 23 3.964 -6.856 -10.767 1.00 0.00 C ATOM 204 C ALA A 23 4.615 -5.477 -10.825 1.00 0.00 C ATOM 205 O ALA A 23 5.254 -5.057 -9.887 1.00 0.00 O ATOM 206 CB ALA A 23 2.504 -6.715 -10.331 1.00 0.00 C ATOM 0 H ALA A 23 4.291 -7.741 -8.851 1.00 0.00 H new ATOM 0 HA ALA A 23 3.991 -7.332 -11.747 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.963 -6.111 -11.060 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.046 -7.702 -10.267 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.461 -6.231 -9.355 1.00 0.00 H new ATOM 212 N ALA A 24 4.470 -4.758 -11.902 1.00 0.00 N ATOM 213 CA ALA A 24 5.098 -3.413 -11.958 1.00 0.00 C ATOM 214 C ALA A 24 3.994 -2.383 -12.156 1.00 0.00 C ATOM 215 O ALA A 24 3.278 -2.411 -13.130 1.00 0.00 O ATOM 216 CB ALA A 24 6.108 -3.376 -13.103 1.00 0.00 C ATOM 0 H ALA A 24 3.951 -5.039 -12.734 1.00 0.00 H new ATOM 0 HA ALA A 24 5.632 -3.188 -11.034 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.571 -2.390 -13.148 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.876 -4.131 -12.935 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.598 -3.580 -14.045 1.00 0.00 H new ATOM 222 N PHE A 25 3.815 -1.510 -11.204 1.00 0.00 N ATOM 223 CA PHE A 25 2.709 -0.516 -11.294 1.00 0.00 C ATOM 224 C PHE A 25 3.215 0.882 -11.660 1.00 0.00 C ATOM 225 O PHE A 25 4.394 1.174 -11.632 1.00 0.00 O ATOM 226 CB PHE A 25 2.045 -0.400 -9.923 1.00 0.00 C ATOM 227 CG PHE A 25 1.284 -1.651 -9.557 1.00 0.00 C ATOM 228 CD1 PHE A 25 1.928 -2.897 -9.492 1.00 0.00 C ATOM 229 CD2 PHE A 25 -0.076 -1.551 -9.245 1.00 0.00 C ATOM 230 CE1 PHE A 25 1.202 -4.035 -9.118 1.00 0.00 C ATOM 231 CE2 PHE A 25 -0.798 -2.690 -8.876 1.00 0.00 C ATOM 232 CZ PHE A 25 -0.159 -3.931 -8.811 1.00 0.00 C ATOM 0 H PHE A 25 4.390 -1.442 -10.364 1.00 0.00 H new ATOM 0 HA PHE A 25 2.023 -0.862 -12.067 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.805 -0.204 -9.167 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.365 0.452 -9.920 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.979 -2.978 -9.729 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.570 -0.591 -9.289 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.694 -4.995 -9.066 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.849 -2.611 -8.641 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.716 -4.810 -8.524 1.00 0.00 H new ATOM 242 N HIS A 26 2.285 1.757 -11.948 1.00 0.00 N ATOM 243 CA HIS A 26 2.609 3.172 -12.261 1.00 0.00 C ATOM 244 C HIS A 26 1.293 3.963 -12.223 1.00 0.00 C ATOM 245 O HIS A 26 0.225 3.431 -12.488 1.00 0.00 O ATOM 246 CB HIS A 26 3.317 3.291 -13.622 1.00 0.00 C ATOM 247 CG HIS A 26 2.341 3.277 -14.765 1.00 0.00 C ATOM 248 ND1 HIS A 26 1.451 4.313 -15.004 1.00 0.00 N ATOM 249 CD2 HIS A 26 2.145 2.376 -15.781 1.00 0.00 C ATOM 250 CE1 HIS A 26 0.769 4.012 -16.122 1.00 0.00 C ATOM 251 NE2 HIS A 26 1.156 2.843 -16.639 1.00 0.00 N ATOM 0 H HIS A 26 1.289 1.538 -11.979 1.00 0.00 H new ATOM 0 HA HIS A 26 3.304 3.580 -11.527 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.896 4.214 -13.650 1.00 0.00 H new ATOM 0 HB3 HIS A 26 4.023 2.468 -13.737 1.00 0.00 H new ATOM 0 HD1 HIS A 26 1.335 5.151 -14.435 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.679 1.444 -15.897 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.001 4.639 -16.550 1.00 0.00 H new ATOM 259 N ILE A 27 1.350 5.213 -11.856 1.00 0.00 N ATOM 260 CA ILE A 27 0.101 6.025 -11.762 1.00 0.00 C ATOM 261 C ILE A 27 0.125 7.112 -12.838 1.00 0.00 C ATOM 262 O ILE A 27 1.162 7.411 -13.395 1.00 0.00 O ATOM 263 CB ILE A 27 0.017 6.668 -10.370 1.00 0.00 C ATOM 264 CG1 ILE A 27 0.889 5.887 -9.380 1.00 0.00 C ATOM 265 CG2 ILE A 27 -1.426 6.634 -9.874 1.00 0.00 C ATOM 266 CD1 ILE A 27 0.110 4.678 -8.871 1.00 0.00 C ATOM 0 H ILE A 27 2.208 5.709 -11.616 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.769 5.387 -11.915 1.00 0.00 H new ATOM 0 HB ILE A 27 0.366 7.698 -10.440 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.810 5.563 -9.865 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.176 6.527 -8.546 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.482 7.091 -8.886 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.062 7.186 -10.566 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.766 5.600 -9.815 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.726 4.119 -8.166 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.798 5.015 -8.372 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.154 4.036 -9.711 1.00 0.00 H new ATOM 278 N ALA A 28 -1.004 7.692 -13.165 1.00 0.00 N ATOM 279 CA ALA A 28 -0.990 8.737 -14.242 1.00 0.00 C ATOM 280 C ALA A 28 -1.888 9.937 -13.907 1.00 0.00 C ATOM 281 O ALA A 28 -3.086 9.812 -13.793 1.00 0.00 O ATOM 282 CB ALA A 28 -1.492 8.111 -15.537 1.00 0.00 C ATOM 0 H ALA A 28 -1.914 7.496 -12.747 1.00 0.00 H new ATOM 0 HA ALA A 28 0.034 9.098 -14.337 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.487 8.860 -16.329 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.841 7.283 -15.817 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.507 7.742 -15.393 1.00 0.00 H new ATOM 288 N ALA A 29 -1.316 11.110 -13.807 1.00 0.00 N ATOM 289 CA ALA A 29 -2.134 12.334 -13.534 1.00 0.00 C ATOM 290 C ALA A 29 -1.204 13.536 -13.304 1.00 0.00 C ATOM 291 O ALA A 29 -1.152 14.434 -14.124 1.00 0.00 O ATOM 292 CB ALA A 29 -3.031 12.124 -12.313 1.00 0.00 C ATOM 0 H ALA A 29 -0.314 11.275 -13.903 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.771 12.529 -14.397 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.617 13.025 -12.132 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.703 11.285 -12.495 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.414 11.912 -11.440 1.00 0.00 H new ATOM 298 N PRO A 30 -0.484 13.525 -12.208 1.00 0.00 N ATOM 299 CA PRO A 30 0.448 14.616 -11.884 1.00 0.00 C ATOM 300 C PRO A 30 1.710 14.474 -12.735 1.00 0.00 C ATOM 301 O PRO A 30 2.721 13.997 -12.280 1.00 0.00 O ATOM 302 CB PRO A 30 0.750 14.407 -10.399 1.00 0.00 C ATOM 303 CG PRO A 30 0.435 12.927 -10.095 1.00 0.00 C ATOM 304 CD PRO A 30 -0.517 12.443 -11.202 1.00 0.00 C ATOM 0 HA PRO A 30 0.049 15.611 -12.083 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.793 14.635 -10.179 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.142 15.068 -9.782 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.348 12.332 -10.082 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.028 12.823 -9.114 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -0.186 11.495 -11.626 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.525 12.286 -10.819 1.00 0.00 H new ATOM 312 N LEU A 31 1.631 14.870 -13.976 1.00 0.00 N ATOM 313 CA LEU A 31 2.800 14.757 -14.907 1.00 0.00 C ATOM 314 C LEU A 31 4.146 14.949 -14.178 1.00 0.00 C ATOM 315 O LEU A 31 5.013 14.105 -14.280 1.00 0.00 O ATOM 316 CB LEU A 31 2.665 15.802 -16.016 1.00 0.00 C ATOM 317 CG LEU A 31 2.376 15.097 -17.343 1.00 0.00 C ATOM 318 CD1 LEU A 31 0.926 15.359 -17.756 1.00 0.00 C ATOM 319 CD2 LEU A 31 3.319 15.637 -18.420 1.00 0.00 C ATOM 0 H LEU A 31 0.793 15.274 -14.395 1.00 0.00 H new ATOM 0 HA LEU A 31 2.795 13.751 -15.327 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.861 16.499 -15.779 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.581 16.387 -16.094 1.00 0.00 H new ATOM 0 HG LEU A 31 2.531 14.024 -17.227 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.720 14.857 -18.701 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.254 14.976 -16.988 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.769 16.431 -17.873 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.115 15.136 -19.366 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.163 16.710 -18.536 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.352 15.450 -18.126 1.00 0.00 H new ATOM 331 N PRO A 32 4.294 16.049 -13.475 1.00 0.00 N ATOM 332 CA PRO A 32 5.543 16.353 -12.745 1.00 0.00 C ATOM 333 C PRO A 32 5.630 15.595 -11.407 1.00 0.00 C ATOM 334 O PRO A 32 5.767 16.196 -10.361 1.00 0.00 O ATOM 335 CB PRO A 32 5.447 17.863 -12.499 1.00 0.00 C ATOM 336 CG PRO A 32 3.945 18.227 -12.577 1.00 0.00 C ATOM 337 CD PRO A 32 3.252 17.089 -13.348 1.00 0.00 C ATOM 0 HA PRO A 32 6.430 16.054 -13.303 1.00 0.00 H new ATOM 0 HB2 PRO A 32 5.859 18.124 -11.524 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.019 18.415 -13.245 1.00 0.00 H new ATOM 0 HG2 PRO A 32 3.520 18.332 -11.579 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.804 19.181 -13.086 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.381 16.716 -12.809 1.00 0.00 H new ATOM 0 HD3 PRO A 32 2.903 17.425 -14.325 1.00 0.00 H new ATOM 345 N VAL A 33 5.578 14.287 -11.425 1.00 0.00 N ATOM 346 CA VAL A 33 5.682 13.527 -10.140 1.00 0.00 C ATOM 347 C VAL A 33 7.153 13.392 -9.747 1.00 0.00 C ATOM 348 O VAL A 33 8.024 13.291 -10.589 1.00 0.00 O ATOM 349 CB VAL A 33 5.095 12.121 -10.290 1.00 0.00 C ATOM 350 CG1 VAL A 33 5.319 11.349 -8.990 1.00 0.00 C ATOM 351 CG2 VAL A 33 3.598 12.206 -10.559 1.00 0.00 C ATOM 0 H VAL A 33 5.469 13.717 -12.264 1.00 0.00 H new ATOM 0 HA VAL A 33 5.126 14.071 -9.377 1.00 0.00 H new ATOM 0 HB VAL A 33 5.583 11.615 -11.123 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.904 10.346 -9.087 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.388 11.282 -8.786 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.825 11.868 -8.169 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.190 11.201 -10.664 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.107 12.712 -9.728 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.425 12.766 -11.478 1.00 0.00 H new ATOM 361 N THR A 34 7.436 13.378 -8.474 1.00 0.00 N ATOM 362 CA THR A 34 8.851 13.235 -8.021 1.00 0.00 C ATOM 363 C THR A 34 8.979 12.010 -7.119 1.00 0.00 C ATOM 364 O THR A 34 9.962 11.297 -7.152 1.00 0.00 O ATOM 365 CB THR A 34 9.270 14.489 -7.249 1.00 0.00 C ATOM 366 OG1 THR A 34 8.451 14.629 -6.096 1.00 0.00 O ATOM 367 CG2 THR A 34 9.108 15.719 -8.143 1.00 0.00 C ATOM 0 H THR A 34 6.748 13.459 -7.725 1.00 0.00 H new ATOM 0 HA THR A 34 9.499 13.112 -8.889 1.00 0.00 H new ATOM 0 HB THR A 34 10.313 14.398 -6.946 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.719 15.430 -5.600 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.407 16.611 -7.592 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.736 15.611 -9.027 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.066 15.813 -8.448 1.00 0.00 H new ATOM 375 N ALA A 35 7.991 11.765 -6.320 1.00 0.00 N ATOM 376 CA ALA A 35 8.031 10.590 -5.410 1.00 0.00 C ATOM 377 C ALA A 35 6.603 10.166 -5.084 1.00 0.00 C ATOM 378 O ALA A 35 5.746 10.984 -4.808 1.00 0.00 O ATOM 379 CB ALA A 35 8.760 10.965 -4.120 1.00 0.00 C ATOM 0 H ALA A 35 7.146 12.332 -6.254 1.00 0.00 H new ATOM 0 HA ALA A 35 8.559 9.768 -5.894 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.788 10.102 -3.454 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.778 11.276 -4.355 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.234 11.784 -3.630 1.00 0.00 H new ATOM 385 N THR A 36 6.344 8.893 -5.109 1.00 0.00 N ATOM 386 CA THR A 36 4.976 8.401 -4.798 1.00 0.00 C ATOM 387 C THR A 36 5.065 7.415 -3.641 1.00 0.00 C ATOM 388 O THR A 36 6.053 6.727 -3.480 1.00 0.00 O ATOM 389 CB THR A 36 4.395 7.681 -6.012 1.00 0.00 C ATOM 390 OG1 THR A 36 3.223 6.976 -5.624 1.00 0.00 O ATOM 391 CG2 THR A 36 5.421 6.696 -6.559 1.00 0.00 C ATOM 0 H THR A 36 7.024 8.167 -5.333 1.00 0.00 H new ATOM 0 HA THR A 36 4.337 9.244 -4.536 1.00 0.00 H new ATOM 0 HB THR A 36 4.145 8.410 -6.783 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.395 6.012 -5.658 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.006 6.182 -7.426 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.322 7.235 -6.854 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.671 5.966 -5.789 1.00 0.00 H new ATOM 399 N ARG A 37 4.045 7.323 -2.845 1.00 0.00 N ATOM 400 CA ARG A 37 4.087 6.361 -1.719 1.00 0.00 C ATOM 401 C ARG A 37 3.016 5.300 -1.938 1.00 0.00 C ATOM 402 O ARG A 37 1.847 5.530 -1.726 1.00 0.00 O ATOM 403 CB ARG A 37 3.841 7.088 -0.397 1.00 0.00 C ATOM 404 CG ARG A 37 5.103 7.006 0.463 1.00 0.00 C ATOM 405 CD ARG A 37 5.522 8.413 0.892 1.00 0.00 C ATOM 406 NE ARG A 37 4.734 8.820 2.089 1.00 0.00 N ATOM 407 CZ ARG A 37 5.286 8.798 3.272 1.00 0.00 C ATOM 408 NH1 ARG A 37 5.897 7.722 3.690 1.00 0.00 N ATOM 409 NH2 ARG A 37 5.224 9.852 4.040 1.00 0.00 N ATOM 0 H ARG A 37 3.187 7.869 -2.924 1.00 0.00 H new ATOM 0 HA ARG A 37 5.069 5.890 -1.676 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.581 8.130 -0.584 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.998 6.638 0.128 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.918 6.387 1.341 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.908 6.531 -0.098 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.588 8.433 1.120 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.357 9.118 0.077 1.00 0.00 H new ATOM 0 HE ARG A 37 3.763 9.116 1.984 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.944 6.897 3.092 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.328 7.707 4.614 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.745 10.692 3.716 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.655 9.836 4.964 1.00 0.00 H new ATOM 423 N TRP A 38 3.407 4.132 -2.361 1.00 0.00 N ATOM 424 CA TRP A 38 2.405 3.059 -2.594 1.00 0.00 C ATOM 425 C TRP A 38 2.182 2.297 -1.299 1.00 0.00 C ATOM 426 O TRP A 38 2.808 2.554 -0.289 1.00 0.00 O ATOM 427 CB TRP A 38 2.919 2.047 -3.621 1.00 0.00 C ATOM 428 CG TRP A 38 3.239 2.690 -4.925 1.00 0.00 C ATOM 429 CD1 TRP A 38 4.240 3.574 -5.145 1.00 0.00 C ATOM 430 CD2 TRP A 38 2.588 2.484 -6.207 1.00 0.00 C ATOM 431 NE1 TRP A 38 4.249 3.905 -6.486 1.00 0.00 N ATOM 432 CE2 TRP A 38 3.249 3.266 -7.179 1.00 0.00 C ATOM 433 CE3 TRP A 38 1.499 1.699 -6.617 1.00 0.00 C ATOM 434 CZ2 TRP A 38 2.850 3.272 -8.509 1.00 0.00 C ATOM 435 CZ3 TRP A 38 1.089 1.704 -7.957 1.00 0.00 C ATOM 436 CH2 TRP A 38 1.767 2.488 -8.902 1.00 0.00 C ATOM 0 H TRP A 38 4.375 3.875 -2.555 1.00 0.00 H new ATOM 0 HA TRP A 38 1.489 3.527 -2.953 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.810 1.555 -3.231 1.00 0.00 H new ATOM 0 HB3 TRP A 38 2.168 1.272 -3.774 1.00 0.00 H new ATOM 0 HD1 TRP A 38 4.918 3.957 -4.397 1.00 0.00 H new ATOM 0 HE1 TRP A 38 4.918 4.547 -6.911 1.00 0.00 H new ATOM 0 HE3 TRP A 38 0.975 1.089 -5.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 3.374 3.879 -9.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 0.247 1.101 -8.264 1.00 0.00 H new ATOM 0 HH2 TRP A 38 1.450 2.484 -9.934 1.00 0.00 H new ATOM 447 N ASP A 39 1.318 1.338 -1.341 1.00 0.00 N ATOM 448 CA ASP A 39 1.065 0.506 -0.145 1.00 0.00 C ATOM 449 C ASP A 39 0.684 -0.880 -0.641 1.00 0.00 C ATOM 450 O ASP A 39 -0.411 -1.095 -1.120 1.00 0.00 O ATOM 451 CB ASP A 39 -0.070 1.099 0.689 1.00 0.00 C ATOM 452 CG ASP A 39 0.515 1.869 1.872 1.00 0.00 C ATOM 453 OD1 ASP A 39 0.883 1.232 2.846 1.00 0.00 O ATOM 454 OD2 ASP A 39 0.587 3.084 1.785 1.00 0.00 O ATOM 0 H ASP A 39 0.768 1.090 -2.163 1.00 0.00 H new ATOM 0 HA ASP A 39 1.950 0.464 0.489 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.679 1.763 0.075 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.726 0.305 1.047 1.00 0.00 H new ATOM 459 N PHE A 40 1.585 -1.817 -0.575 1.00 0.00 N ATOM 460 CA PHE A 40 1.253 -3.172 -1.101 1.00 0.00 C ATOM 461 C PHE A 40 0.448 -3.959 -0.067 1.00 0.00 C ATOM 462 O PHE A 40 -0.688 -4.318 -0.300 1.00 0.00 O ATOM 463 CB PHE A 40 2.523 -3.955 -1.459 1.00 0.00 C ATOM 464 CG PHE A 40 3.491 -3.111 -2.264 1.00 0.00 C ATOM 465 CD1 PHE A 40 3.067 -1.928 -2.887 1.00 0.00 C ATOM 466 CD2 PHE A 40 4.821 -3.530 -2.401 1.00 0.00 C ATOM 467 CE1 PHE A 40 3.971 -1.172 -3.641 1.00 0.00 C ATOM 468 CE2 PHE A 40 5.722 -2.773 -3.155 1.00 0.00 C ATOM 469 CZ PHE A 40 5.297 -1.595 -3.774 1.00 0.00 C ATOM 0 H PHE A 40 2.522 -1.709 -0.187 1.00 0.00 H new ATOM 0 HA PHE A 40 0.658 -3.040 -2.005 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.010 -4.297 -0.546 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.254 -4.844 -2.029 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.043 -1.601 -2.785 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.151 -4.440 -1.923 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.644 -0.261 -4.121 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.746 -3.099 -3.259 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.994 -1.010 -4.356 1.00 0.00 H new ATOM 479 N GLY A 41 1.027 -4.246 1.066 1.00 0.00 N ATOM 480 CA GLY A 41 0.282 -5.030 2.096 1.00 0.00 C ATOM 481 C GLY A 41 0.600 -6.525 1.940 1.00 0.00 C ATOM 482 O GLY A 41 0.018 -7.365 2.595 1.00 0.00 O ATOM 0 H GLY A 41 1.976 -3.975 1.324 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.559 -4.692 3.095 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.790 -4.863 1.989 1.00 0.00 H new ATOM 486 N ASP A 42 1.531 -6.856 1.082 1.00 0.00 N ATOM 487 CA ASP A 42 1.917 -8.285 0.874 1.00 0.00 C ATOM 488 C ASP A 42 3.180 -8.572 1.682 1.00 0.00 C ATOM 489 O ASP A 42 4.032 -9.339 1.280 1.00 0.00 O ATOM 490 CB ASP A 42 2.235 -8.488 -0.607 1.00 0.00 C ATOM 491 CG ASP A 42 3.209 -7.389 -1.081 1.00 0.00 C ATOM 492 OD1 ASP A 42 3.985 -6.899 -0.264 1.00 0.00 O ATOM 493 OD2 ASP A 42 3.159 -7.047 -2.251 1.00 0.00 O ATOM 0 H ASP A 42 2.047 -6.188 0.509 1.00 0.00 H new ATOM 0 HA ASP A 42 1.108 -8.946 1.187 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.677 -9.472 -0.763 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.318 -8.454 -1.195 1.00 0.00 H new ATOM 498 N GLY A 43 3.333 -7.905 2.781 1.00 0.00 N ATOM 499 CA GLY A 43 4.565 -8.054 3.587 1.00 0.00 C ATOM 500 C GLY A 43 5.209 -6.675 3.600 1.00 0.00 C ATOM 501 O GLY A 43 5.678 -6.199 4.614 1.00 0.00 O ATOM 0 H GLY A 43 2.647 -7.253 3.161 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.335 -8.390 4.598 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.233 -8.796 3.150 1.00 0.00 H new ATOM 505 N SER A 44 5.184 -6.007 2.467 1.00 0.00 N ATOM 506 CA SER A 44 5.739 -4.631 2.400 1.00 0.00 C ATOM 507 C SER A 44 4.558 -3.660 2.311 1.00 0.00 C ATOM 508 O SER A 44 3.960 -3.484 1.266 1.00 0.00 O ATOM 509 CB SER A 44 6.627 -4.486 1.164 1.00 0.00 C ATOM 510 OG SER A 44 6.023 -5.149 0.063 1.00 0.00 O ATOM 0 H SER A 44 4.801 -6.363 1.591 1.00 0.00 H new ATOM 0 HA SER A 44 6.344 -4.419 3.281 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.773 -3.431 0.931 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.612 -4.909 1.360 1.00 0.00 H new ATOM 0 HG SER A 44 5.055 -4.995 0.079 1.00 0.00 H new ATOM 516 N ALA A 45 4.194 -3.051 3.404 1.00 0.00 N ATOM 517 CA ALA A 45 3.034 -2.117 3.383 1.00 0.00 C ATOM 518 C ALA A 45 3.442 -0.794 2.738 1.00 0.00 C ATOM 519 O ALA A 45 3.322 -0.620 1.539 1.00 0.00 O ATOM 520 CB ALA A 45 2.547 -1.875 4.812 1.00 0.00 C ATOM 0 H ALA A 45 4.649 -3.159 4.311 1.00 0.00 H new ATOM 0 HA ALA A 45 2.227 -2.558 2.799 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.698 -1.191 4.796 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.242 -2.822 5.258 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.353 -1.439 5.402 1.00 0.00 H new ATOM 526 N GLU A 46 3.916 0.129 3.532 1.00 0.00 N ATOM 527 CA GLU A 46 4.340 1.462 3.003 1.00 0.00 C ATOM 528 C GLU A 46 5.301 1.270 1.831 1.00 0.00 C ATOM 529 O GLU A 46 6.114 0.367 1.823 1.00 0.00 O ATOM 530 CB GLU A 46 5.040 2.250 4.113 1.00 0.00 C ATOM 531 CG GLU A 46 6.200 1.423 4.680 1.00 0.00 C ATOM 532 CD GLU A 46 6.361 1.706 6.177 1.00 0.00 C ATOM 533 OE1 GLU A 46 5.402 2.146 6.789 1.00 0.00 O ATOM 534 OE2 GLU A 46 7.445 1.476 6.688 1.00 0.00 O ATOM 0 H GLU A 46 4.030 0.016 4.539 1.00 0.00 H new ATOM 0 HA GLU A 46 3.462 2.011 2.662 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.413 3.196 3.721 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.331 2.490 4.905 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.013 0.361 4.520 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.123 1.667 4.154 1.00 0.00 H new ATOM 541 N VAL A 47 5.197 2.099 0.828 1.00 0.00 N ATOM 542 CA VAL A 47 6.084 1.946 -0.357 1.00 0.00 C ATOM 543 C VAL A 47 6.650 3.295 -0.788 1.00 0.00 C ATOM 544 O VAL A 47 5.933 4.151 -1.253 1.00 0.00 O ATOM 545 CB VAL A 47 5.258 1.373 -1.504 1.00 0.00 C ATOM 546 CG1 VAL A 47 6.127 1.234 -2.747 1.00 0.00 C ATOM 547 CG2 VAL A 47 4.727 0.002 -1.107 1.00 0.00 C ATOM 0 H VAL A 47 4.536 2.875 0.779 1.00 0.00 H new ATOM 0 HA VAL A 47 6.912 1.285 -0.100 1.00 0.00 H new ATOM 0 HB VAL A 47 4.426 2.044 -1.718 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.532 0.824 -3.563 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.511 2.213 -3.034 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.961 0.565 -2.535 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.136 -0.410 -1.925 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.563 -0.664 -0.892 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.101 0.097 -0.220 1.00 0.00 H new ATOM 557 N ASP A 48 7.934 3.483 -0.668 1.00 0.00 N ATOM 558 CA ASP A 48 8.540 4.770 -1.105 1.00 0.00 C ATOM 559 C ASP A 48 9.051 4.601 -2.538 1.00 0.00 C ATOM 560 O ASP A 48 10.105 4.041 -2.767 1.00 0.00 O ATOM 561 CB ASP A 48 9.701 5.133 -0.178 1.00 0.00 C ATOM 562 CG ASP A 48 9.161 5.874 1.048 1.00 0.00 C ATOM 563 OD1 ASP A 48 8.273 5.341 1.694 1.00 0.00 O ATOM 564 OD2 ASP A 48 9.643 6.960 1.318 1.00 0.00 O ATOM 0 H ASP A 48 8.590 2.801 -0.286 1.00 0.00 H new ATOM 0 HA ASP A 48 7.798 5.568 -1.066 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.229 4.231 0.132 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.421 5.758 -0.706 1.00 0.00 H new ATOM 569 N ALA A 49 8.299 5.056 -3.504 1.00 0.00 N ATOM 570 CA ALA A 49 8.729 4.894 -4.925 1.00 0.00 C ATOM 571 C ALA A 49 9.104 6.243 -5.542 1.00 0.00 C ATOM 572 O ALA A 49 8.829 7.294 -4.995 1.00 0.00 O ATOM 573 CB ALA A 49 7.580 4.289 -5.726 1.00 0.00 C ATOM 0 H ALA A 49 7.407 5.532 -3.372 1.00 0.00 H new ATOM 0 HA ALA A 49 9.603 4.243 -4.951 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.885 4.167 -6.765 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.318 3.317 -5.309 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.715 4.950 -5.677 1.00 0.00 H new ATOM 579 N ALA A 50 9.728 6.209 -6.691 1.00 0.00 N ATOM 580 CA ALA A 50 10.129 7.471 -7.371 1.00 0.00 C ATOM 581 C ALA A 50 9.121 7.800 -8.479 1.00 0.00 C ATOM 582 O ALA A 50 8.462 6.918 -9.026 1.00 0.00 O ATOM 583 CB ALA A 50 11.518 7.302 -7.986 1.00 0.00 C ATOM 0 H ALA A 50 9.977 5.354 -7.188 1.00 0.00 H new ATOM 0 HA ALA A 50 10.148 8.282 -6.643 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.811 8.227 -8.484 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.238 7.069 -7.201 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.498 6.490 -8.713 1.00 0.00 H new ATOM 589 N GLY A 51 8.991 9.064 -8.809 1.00 0.00 N ATOM 590 CA GLY A 51 8.029 9.469 -9.870 1.00 0.00 C ATOM 591 C GLY A 51 6.700 8.761 -9.629 1.00 0.00 C ATOM 592 O GLY A 51 6.405 8.359 -8.525 1.00 0.00 O ATOM 0 H GLY A 51 9.514 9.830 -8.385 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.888 10.550 -9.858 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.421 9.210 -10.853 1.00 0.00 H new ATOM 596 N PRO A 52 5.943 8.624 -10.669 1.00 0.00 N ATOM 597 CA PRO A 52 4.651 7.942 -10.610 1.00 0.00 C ATOM 598 C PRO A 52 4.830 6.437 -10.872 1.00 0.00 C ATOM 599 O PRO A 52 4.039 5.847 -11.576 1.00 0.00 O ATOM 600 CB PRO A 52 3.878 8.575 -11.769 1.00 0.00 C ATOM 601 CG PRO A 52 4.942 9.120 -12.760 1.00 0.00 C ATOM 602 CD PRO A 52 6.279 9.168 -11.996 1.00 0.00 C ATOM 0 HA PRO A 52 4.157 8.040 -9.643 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.235 7.840 -12.254 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.232 9.377 -11.413 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.020 8.476 -13.636 1.00 0.00 H new ATOM 0 HG3 PRO A 52 4.665 10.112 -13.117 1.00 0.00 H new ATOM 0 HD2 PRO A 52 7.045 8.571 -12.491 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.664 10.185 -11.926 1.00 0.00 H new ATOM 610 N ALA A 53 5.859 5.793 -10.357 1.00 0.00 N ATOM 611 CA ALA A 53 5.994 4.335 -10.678 1.00 0.00 C ATOM 612 C ALA A 53 6.517 3.516 -9.492 1.00 0.00 C ATOM 613 O ALA A 53 7.178 4.016 -8.608 1.00 0.00 O ATOM 614 CB ALA A 53 6.944 4.168 -11.862 1.00 0.00 C ATOM 0 H ALA A 53 6.579 6.194 -9.756 1.00 0.00 H new ATOM 0 HA ALA A 53 4.999 3.960 -10.920 1.00 0.00 H new ATOM 0 HB1 ALA A 53 7.046 3.109 -12.100 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.544 4.697 -12.727 1.00 0.00 H new ATOM 0 HB3 ALA A 53 7.921 4.578 -11.605 1.00 0.00 H new ATOM 620 N ALA A 54 6.218 2.238 -9.504 1.00 0.00 N ATOM 621 CA ALA A 54 6.674 1.312 -8.423 1.00 0.00 C ATOM 622 C ALA A 54 6.360 -0.121 -8.861 1.00 0.00 C ATOM 623 O ALA A 54 5.960 -0.356 -9.981 1.00 0.00 O ATOM 624 CB ALA A 54 5.931 1.615 -7.120 1.00 0.00 C ATOM 0 H ALA A 54 5.665 1.791 -10.235 1.00 0.00 H new ATOM 0 HA ALA A 54 7.743 1.439 -8.254 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.272 0.934 -6.340 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.132 2.643 -6.817 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.860 1.484 -7.273 1.00 0.00 H new ATOM 630 N SER A 55 6.527 -1.080 -7.994 1.00 0.00 N ATOM 631 CA SER A 55 6.220 -2.489 -8.382 1.00 0.00 C ATOM 632 C SER A 55 5.743 -3.265 -7.159 1.00 0.00 C ATOM 633 O SER A 55 6.116 -2.973 -6.045 1.00 0.00 O ATOM 634 CB SER A 55 7.460 -3.157 -8.962 1.00 0.00 C ATOM 635 OG SER A 55 8.505 -2.201 -9.076 1.00 0.00 O ATOM 0 H SER A 55 6.861 -0.953 -7.039 1.00 0.00 H new ATOM 0 HA SER A 55 5.435 -2.485 -9.138 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.775 -3.981 -8.322 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.233 -3.582 -9.940 1.00 0.00 H new ATOM 0 HG SER A 55 9.303 -2.631 -9.448 1.00 0.00 H new ATOM 641 N HIS A 56 4.905 -4.244 -7.360 1.00 0.00 N ATOM 642 CA HIS A 56 4.377 -5.032 -6.215 1.00 0.00 C ATOM 643 C HIS A 56 5.022 -6.413 -6.158 1.00 0.00 C ATOM 644 O HIS A 56 5.266 -7.041 -7.166 1.00 0.00 O ATOM 645 CB HIS A 56 2.877 -5.207 -6.390 1.00 0.00 C ATOM 646 CG HIS A 56 2.169 -4.096 -5.684 1.00 0.00 C ATOM 647 ND1 HIS A 56 2.174 -2.795 -6.155 1.00 0.00 N ATOM 648 CD2 HIS A 56 1.423 -4.078 -4.539 1.00 0.00 C ATOM 649 CE1 HIS A 56 1.446 -2.057 -5.301 1.00 0.00 C ATOM 650 NE2 HIS A 56 0.962 -2.793 -4.301 1.00 0.00 N ATOM 0 H HIS A 56 4.562 -4.533 -8.276 1.00 0.00 H new ATOM 0 HA HIS A 56 4.604 -4.498 -5.292 1.00 0.00 H new ATOM 0 HB2 HIS A 56 2.619 -5.204 -7.449 1.00 0.00 H new ATOM 0 HB3 HIS A 56 2.561 -6.170 -5.988 1.00 0.00 H new ATOM 0 HD1 HIS A 56 2.644 -2.459 -6.996 1.00 0.00 H new ATOM 0 HD2 HIS A 56 1.223 -4.936 -3.914 1.00 0.00 H new ATOM 0 HE1 HIS A 56 1.274 -0.997 -5.411 1.00 0.00 H new ATOM 658 N ARG A 57 5.262 -6.895 -4.972 1.00 0.00 N ATOM 659 CA ARG A 57 5.863 -8.247 -4.809 1.00 0.00 C ATOM 660 C ARG A 57 4.865 -9.123 -4.048 1.00 0.00 C ATOM 661 O ARG A 57 4.873 -9.181 -2.835 1.00 0.00 O ATOM 662 CB ARG A 57 7.178 -8.144 -4.026 1.00 0.00 C ATOM 663 CG ARG A 57 6.999 -7.244 -2.797 1.00 0.00 C ATOM 664 CD ARG A 57 8.024 -6.107 -2.839 1.00 0.00 C ATOM 665 NE ARG A 57 7.723 -5.198 -3.984 1.00 0.00 N ATOM 666 CZ ARG A 57 8.688 -4.537 -4.562 1.00 0.00 C ATOM 667 NH1 ARG A 57 9.644 -4.009 -3.844 1.00 0.00 N ATOM 668 NH2 ARG A 57 8.695 -4.395 -5.859 1.00 0.00 N ATOM 0 H ARG A 57 5.065 -6.405 -4.099 1.00 0.00 H new ATOM 0 HA ARG A 57 6.078 -8.684 -5.784 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.501 -9.137 -3.714 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.961 -7.741 -4.669 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.989 -6.836 -2.777 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.125 -7.827 -1.885 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.000 -5.549 -1.903 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.030 -6.515 -2.941 1.00 0.00 H new ATOM 0 HE ARG A 57 6.764 -5.094 -4.314 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.637 -4.113 -2.829 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.397 -3.493 -4.298 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.946 -4.801 -6.420 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.449 -3.878 -6.311 1.00 0.00 H new ATOM 682 N TYR A 58 3.992 -9.789 -4.751 1.00 0.00 N ATOM 683 CA TYR A 58 2.976 -10.638 -4.069 1.00 0.00 C ATOM 684 C TYR A 58 3.506 -12.065 -3.919 1.00 0.00 C ATOM 685 O TYR A 58 4.140 -12.592 -4.807 1.00 0.00 O ATOM 686 CB TYR A 58 1.692 -10.616 -4.900 1.00 0.00 C ATOM 687 CG TYR A 58 1.060 -9.265 -4.761 1.00 0.00 C ATOM 688 CD1 TYR A 58 0.685 -8.817 -3.495 1.00 0.00 C ATOM 689 CD2 TYR A 58 0.838 -8.469 -5.886 1.00 0.00 C ATOM 690 CE1 TYR A 58 0.078 -7.573 -3.348 1.00 0.00 C ATOM 691 CE2 TYR A 58 0.234 -7.219 -5.738 1.00 0.00 C ATOM 692 CZ TYR A 58 -0.149 -6.774 -4.466 1.00 0.00 C ATOM 693 OH TYR A 58 -0.768 -5.556 -4.316 1.00 0.00 O ATOM 0 H TYR A 58 3.938 -9.782 -5.770 1.00 0.00 H new ATOM 0 HA TYR A 58 2.767 -10.253 -3.071 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.914 -10.824 -5.947 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.007 -11.392 -4.559 1.00 0.00 H new ATOM 0 HD1 TYR A 58 0.866 -9.435 -2.628 1.00 0.00 H new ATOM 0 HD2 TYR A 58 1.132 -8.818 -6.865 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -0.217 -7.228 -2.368 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.062 -6.596 -6.603 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.736 -5.287 -3.374 1.00 0.00 H new ATOM 703 N VAL A 59 3.273 -12.683 -2.791 1.00 0.00 N ATOM 704 CA VAL A 59 3.793 -14.067 -2.584 1.00 0.00 C ATOM 705 C VAL A 59 2.663 -15.040 -2.219 1.00 0.00 C ATOM 706 O VAL A 59 2.686 -16.189 -2.607 1.00 0.00 O ATOM 707 CB VAL A 59 4.837 -14.050 -1.464 1.00 0.00 C ATOM 708 CG1 VAL A 59 4.250 -13.388 -0.215 1.00 0.00 C ATOM 709 CG2 VAL A 59 5.250 -15.485 -1.129 1.00 0.00 C ATOM 0 H VAL A 59 2.748 -12.292 -2.008 1.00 0.00 H new ATOM 0 HA VAL A 59 4.245 -14.408 -3.516 1.00 0.00 H new ATOM 0 HB VAL A 59 5.708 -13.485 -1.796 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.998 -13.379 0.578 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.957 -12.364 -0.449 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.376 -13.948 0.117 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.993 -15.473 -0.332 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.376 -16.048 -0.802 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.675 -15.957 -2.014 1.00 0.00 H new ATOM 719 N LEU A 60 1.681 -14.612 -1.471 1.00 0.00 N ATOM 720 CA LEU A 60 0.579 -15.547 -1.095 1.00 0.00 C ATOM 721 C LEU A 60 -0.494 -15.542 -2.187 1.00 0.00 C ATOM 722 O LEU A 60 -0.739 -14.527 -2.808 1.00 0.00 O ATOM 723 CB LEU A 60 -0.039 -15.093 0.229 1.00 0.00 C ATOM 724 CG LEU A 60 -0.087 -16.264 1.210 1.00 0.00 C ATOM 725 CD1 LEU A 60 0.689 -15.898 2.476 1.00 0.00 C ATOM 726 CD2 LEU A 60 -1.545 -16.558 1.573 1.00 0.00 C ATOM 0 H LEU A 60 1.593 -13.663 -1.106 1.00 0.00 H new ATOM 0 HA LEU A 60 0.978 -16.555 -0.986 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.546 -14.277 0.652 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.045 -14.709 0.058 1.00 0.00 H new ATOM 0 HG LEU A 60 0.361 -17.146 0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.656 -16.732 3.177 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.726 -15.682 2.218 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.239 -15.019 2.937 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.585 -17.393 2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.990 -15.676 2.034 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.100 -16.814 0.671 1.00 0.00 H new ATOM 738 N PRO A 61 -1.108 -16.679 -2.384 1.00 0.00 N ATOM 739 CA PRO A 61 -2.171 -16.839 -3.388 1.00 0.00 C ATOM 740 C PRO A 61 -3.485 -16.259 -2.857 1.00 0.00 C ATOM 741 O PRO A 61 -4.022 -16.715 -1.867 1.00 0.00 O ATOM 742 CB PRO A 61 -2.268 -18.357 -3.567 1.00 0.00 C ATOM 743 CG PRO A 61 -1.682 -18.986 -2.280 1.00 0.00 C ATOM 744 CD PRO A 61 -0.799 -17.907 -1.625 1.00 0.00 C ATOM 0 HA PRO A 61 -1.967 -16.322 -4.325 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.303 -18.666 -3.714 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.711 -18.681 -4.446 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.478 -19.298 -1.604 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.097 -19.875 -2.515 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.031 -17.790 -0.566 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.259 -18.162 -1.693 1.00 0.00 H new ATOM 752 N GLY A 62 -4.005 -15.253 -3.506 1.00 0.00 N ATOM 753 CA GLY A 62 -5.280 -14.640 -3.037 1.00 0.00 C ATOM 754 C GLY A 62 -5.436 -13.254 -3.663 1.00 0.00 C ATOM 755 O GLY A 62 -5.006 -13.016 -4.768 1.00 0.00 O ATOM 0 H GLY A 62 -3.602 -14.829 -4.341 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.124 -15.273 -3.312 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.281 -14.563 -1.950 1.00 0.00 H new ATOM 759 N ARG A 63 -6.050 -12.336 -2.966 1.00 0.00 N ATOM 760 CA ARG A 63 -6.224 -10.969 -3.535 1.00 0.00 C ATOM 761 C ARG A 63 -5.611 -9.935 -2.588 1.00 0.00 C ATOM 762 O ARG A 63 -5.714 -10.045 -1.382 1.00 0.00 O ATOM 763 CB ARG A 63 -7.714 -10.679 -3.725 1.00 0.00 C ATOM 764 CG ARG A 63 -8.261 -11.567 -4.844 1.00 0.00 C ATOM 765 CD ARG A 63 -9.363 -10.823 -5.601 1.00 0.00 C ATOM 766 NE ARG A 63 -10.688 -11.388 -5.225 1.00 0.00 N ATOM 767 CZ ARG A 63 -11.195 -11.137 -4.049 1.00 0.00 C ATOM 768 NH1 ARG A 63 -11.767 -9.988 -3.817 1.00 0.00 N ATOM 769 NH2 ARG A 63 -11.127 -12.035 -3.105 1.00 0.00 N ATOM 0 H ARG A 63 -6.437 -12.472 -2.032 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.721 -10.912 -4.500 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -8.255 -10.868 -2.798 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.863 -9.628 -3.973 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.458 -11.842 -5.528 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -8.655 -12.493 -4.426 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.328 -9.760 -5.364 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -9.207 -10.915 -6.676 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.200 -11.972 -5.887 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.818 -9.286 -4.555 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -12.163 -9.792 -2.898 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.678 -12.933 -3.286 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.523 -11.839 -2.186 1.00 0.00 H new ATOM 783 N TYR A 64 -4.967 -8.934 -3.126 1.00 0.00 N ATOM 784 CA TYR A 64 -4.339 -7.893 -2.260 1.00 0.00 C ATOM 785 C TYR A 64 -4.939 -6.526 -2.573 1.00 0.00 C ATOM 786 O TYR A 64 -5.552 -6.326 -3.604 1.00 0.00 O ATOM 787 CB TYR A 64 -2.840 -7.817 -2.543 1.00 0.00 C ATOM 788 CG TYR A 64 -2.141 -9.076 -2.102 1.00 0.00 C ATOM 789 CD1 TYR A 64 -2.202 -10.224 -2.898 1.00 0.00 C ATOM 790 CD2 TYR A 64 -1.396 -9.082 -0.915 1.00 0.00 C ATOM 791 CE1 TYR A 64 -1.517 -11.378 -2.510 1.00 0.00 C ATOM 792 CE2 TYR A 64 -0.719 -10.240 -0.523 1.00 0.00 C ATOM 793 CZ TYR A 64 -0.777 -11.386 -1.322 1.00 0.00 C ATOM 794 OH TYR A 64 -0.094 -12.522 -0.946 1.00 0.00 O ATOM 0 H TYR A 64 -4.848 -8.792 -4.129 1.00 0.00 H new ATOM 0 HA TYR A 64 -4.519 -8.160 -1.218 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -2.675 -7.660 -3.609 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -2.412 -6.959 -2.025 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -2.778 -10.219 -3.812 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -1.345 -8.193 -0.304 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -1.558 -12.264 -3.127 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -0.152 -10.250 0.396 1.00 0.00 H new ATOM 0 HH TYR A 64 -0.179 -13.202 -1.647 1.00 0.00 H new ATOM 804 N HIS A 65 -4.731 -5.575 -1.701 1.00 0.00 N ATOM 805 CA HIS A 65 -5.252 -4.201 -1.941 1.00 0.00 C ATOM 806 C HIS A 65 -4.064 -3.246 -2.080 1.00 0.00 C ATOM 807 O HIS A 65 -3.185 -3.208 -1.244 1.00 0.00 O ATOM 808 CB HIS A 65 -6.128 -3.764 -0.765 1.00 0.00 C ATOM 809 CG HIS A 65 -6.578 -2.346 -0.982 1.00 0.00 C ATOM 810 ND1 HIS A 65 -7.743 -2.036 -1.667 1.00 0.00 N ATOM 811 CD2 HIS A 65 -6.026 -1.142 -0.620 1.00 0.00 C ATOM 812 CE1 HIS A 65 -7.853 -0.695 -1.695 1.00 0.00 C ATOM 813 NE2 HIS A 65 -6.833 -0.101 -1.071 1.00 0.00 N ATOM 0 H HIS A 65 -4.219 -5.694 -0.827 1.00 0.00 H new ATOM 0 HA HIS A 65 -5.852 -4.187 -2.851 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -6.992 -4.422 -0.676 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -5.570 -3.842 0.168 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -5.105 -1.021 -0.069 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -8.667 -0.164 -2.165 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -6.678 0.900 -0.951 1.00 0.00 H new ATOM 821 N VAL A 66 -4.025 -2.487 -3.138 1.00 0.00 N ATOM 822 CA VAL A 66 -2.888 -1.547 -3.350 1.00 0.00 C ATOM 823 C VAL A 66 -3.352 -0.100 -3.184 1.00 0.00 C ATOM 824 O VAL A 66 -4.494 0.223 -3.427 1.00 0.00 O ATOM 825 CB VAL A 66 -2.354 -1.728 -4.769 1.00 0.00 C ATOM 826 CG1 VAL A 66 -1.191 -0.764 -5.009 1.00 0.00 C ATOM 827 CG2 VAL A 66 -1.874 -3.164 -4.951 1.00 0.00 C ATOM 0 H VAL A 66 -4.735 -2.477 -3.870 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.112 -1.761 -2.615 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.149 -1.517 -5.484 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.812 -0.896 -6.023 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.536 0.262 -4.881 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.394 -0.970 -4.294 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.493 -3.295 -5.964 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.081 -3.376 -4.234 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.705 -3.849 -4.785 1.00 0.00 H new ATOM 837 N THR A 67 -2.462 0.773 -2.794 1.00 0.00 N ATOM 838 CA THR A 67 -2.822 2.211 -2.635 1.00 0.00 C ATOM 839 C THR A 67 -1.596 3.052 -2.994 1.00 0.00 C ATOM 840 O THR A 67 -0.484 2.564 -2.966 1.00 0.00 O ATOM 841 CB THR A 67 -3.230 2.502 -1.186 1.00 0.00 C ATOM 842 OG1 THR A 67 -2.192 3.226 -0.542 1.00 0.00 O ATOM 843 CG2 THR A 67 -3.480 1.192 -0.438 1.00 0.00 C ATOM 0 H THR A 67 -1.491 0.548 -2.577 1.00 0.00 H new ATOM 0 HA THR A 67 -3.661 2.454 -3.287 1.00 0.00 H new ATOM 0 HB THR A 67 -4.146 3.092 -1.183 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.451 3.415 0.384 1.00 0.00 H new ATOM 0 HG21 THR A 67 -3.769 1.410 0.590 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.280 0.639 -0.931 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.570 0.593 -0.440 1.00 0.00 H new ATOM 851 N ALA A 68 -1.774 4.303 -3.338 1.00 0.00 N ATOM 852 CA ALA A 68 -0.579 5.132 -3.696 1.00 0.00 C ATOM 853 C ALA A 68 -0.839 6.623 -3.476 1.00 0.00 C ATOM 854 O ALA A 68 -1.663 7.227 -4.123 1.00 0.00 O ATOM 855 CB ALA A 68 -0.218 4.923 -5.164 1.00 0.00 C ATOM 0 H ALA A 68 -2.674 4.780 -3.387 1.00 0.00 H new ATOM 0 HA ALA A 68 0.238 4.814 -3.049 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.652 5.530 -5.415 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.011 3.871 -5.336 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.059 5.218 -5.791 1.00 0.00 H new ATOM 861 N VAL A 69 -0.096 7.228 -2.604 1.00 0.00 N ATOM 862 CA VAL A 69 -0.252 8.691 -2.372 1.00 0.00 C ATOM 863 C VAL A 69 0.973 9.392 -2.959 1.00 0.00 C ATOM 864 O VAL A 69 2.073 9.255 -2.464 1.00 0.00 O ATOM 865 CB VAL A 69 -0.358 8.982 -0.870 1.00 0.00 C ATOM 866 CG1 VAL A 69 0.882 8.461 -0.140 1.00 0.00 C ATOM 867 CG2 VAL A 69 -0.471 10.495 -0.656 1.00 0.00 C ATOM 0 H VAL A 69 0.619 6.774 -2.036 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.162 9.054 -2.850 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.241 8.481 -0.473 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.794 8.674 0.925 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.966 7.385 -0.289 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.771 8.953 -0.536 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.547 10.707 0.411 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.413 10.987 -1.062 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.360 10.869 -1.164 1.00 0.00 H new ATOM 877 N LEU A 70 0.808 10.124 -4.025 1.00 0.00 N ATOM 878 CA LEU A 70 1.993 10.794 -4.629 1.00 0.00 C ATOM 879 C LEU A 70 2.193 12.165 -4.001 1.00 0.00 C ATOM 880 O LEU A 70 1.264 12.788 -3.533 1.00 0.00 O ATOM 881 CB LEU A 70 1.819 11.002 -6.139 1.00 0.00 C ATOM 882 CG LEU A 70 0.675 10.173 -6.721 1.00 0.00 C ATOM 883 CD1 LEU A 70 0.633 10.437 -8.220 1.00 0.00 C ATOM 884 CD2 LEU A 70 0.908 8.681 -6.494 1.00 0.00 C ATOM 0 H LEU A 70 -0.081 10.286 -4.498 1.00 0.00 H new ATOM 0 HA LEU A 70 2.851 10.147 -4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.634 12.058 -6.337 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.747 10.740 -6.647 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.260 10.452 -6.234 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.175 9.859 -8.669 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.462 11.499 -8.398 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.582 10.143 -8.668 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.079 8.115 -6.918 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.838 8.380 -6.977 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.974 8.482 -5.424 1.00 0.00 H new ATOM 896 N ALA A 71 3.402 12.653 -4.017 1.00 0.00 N ATOM 897 CA ALA A 71 3.663 14.002 -3.455 1.00 0.00 C ATOM 898 C ALA A 71 4.519 14.788 -4.438 1.00 0.00 C ATOM 899 O ALA A 71 5.646 14.439 -4.726 1.00 0.00 O ATOM 900 CB ALA A 71 4.396 13.906 -2.125 1.00 0.00 C ATOM 0 H ALA A 71 4.219 12.174 -4.396 1.00 0.00 H new ATOM 0 HA ALA A 71 2.709 14.502 -3.290 1.00 0.00 H new ATOM 0 HB1 ALA A 71 4.575 14.908 -1.735 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.790 13.343 -1.415 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.349 13.398 -2.271 1.00 0.00 H new ATOM 906 N LEU A 72 3.984 15.848 -4.946 1.00 0.00 N ATOM 907 CA LEU A 72 4.736 16.690 -5.913 1.00 0.00 C ATOM 908 C LEU A 72 5.193 17.968 -5.218 1.00 0.00 C ATOM 909 O LEU A 72 5.995 18.721 -5.735 1.00 0.00 O ATOM 910 CB LEU A 72 3.807 17.067 -7.062 1.00 0.00 C ATOM 911 CG LEU A 72 3.476 15.830 -7.898 1.00 0.00 C ATOM 912 CD1 LEU A 72 2.266 15.108 -7.300 1.00 0.00 C ATOM 913 CD2 LEU A 72 3.146 16.265 -9.325 1.00 0.00 C ATOM 0 H LEU A 72 3.043 16.177 -4.733 1.00 0.00 H new ATOM 0 HA LEU A 72 5.600 16.140 -6.287 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.890 17.506 -6.669 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.280 17.823 -7.689 1.00 0.00 H new ATOM 0 HG LEU A 72 4.332 15.156 -7.902 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.035 14.228 -7.900 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.493 14.802 -6.279 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.407 15.779 -7.295 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.909 15.388 -9.927 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.289 16.938 -9.311 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.005 16.780 -9.756 1.00 0.00 H new ATOM 925 N GLY A 73 4.662 18.230 -4.061 1.00 0.00 N ATOM 926 CA GLY A 73 5.026 19.473 -3.328 1.00 0.00 C ATOM 927 C GLY A 73 3.853 20.444 -3.439 1.00 0.00 C ATOM 928 O GLY A 73 3.441 21.056 -2.474 1.00 0.00 O ATOM 0 H GLY A 73 3.985 17.632 -3.586 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.240 19.251 -2.283 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.928 19.915 -3.751 1.00 0.00 H new ATOM 932 N ALA A 74 3.301 20.572 -4.617 1.00 0.00 N ATOM 933 CA ALA A 74 2.139 21.482 -4.810 1.00 0.00 C ATOM 934 C ALA A 74 0.890 20.664 -5.166 1.00 0.00 C ATOM 935 O ALA A 74 -0.198 21.194 -5.268 1.00 0.00 O ATOM 936 CB ALA A 74 2.441 22.458 -5.946 1.00 0.00 C ATOM 0 H ALA A 74 3.609 20.082 -5.457 1.00 0.00 H new ATOM 0 HA ALA A 74 1.959 22.034 -3.887 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.591 23.125 -6.088 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.325 23.045 -5.696 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.623 21.901 -6.865 1.00 0.00 H new ATOM 942 N GLY A 75 1.033 19.378 -5.360 1.00 0.00 N ATOM 943 CA GLY A 75 -0.151 18.541 -5.711 1.00 0.00 C ATOM 944 C GLY A 75 0.083 17.098 -5.257 1.00 0.00 C ATOM 945 O GLY A 75 1.186 16.712 -4.927 1.00 0.00 O ATOM 0 H GLY A 75 1.917 18.873 -5.291 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.046 18.942 -5.234 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.323 18.570 -6.787 1.00 0.00 H new ATOM 949 N SER A 76 -0.951 16.299 -5.232 1.00 0.00 N ATOM 950 CA SER A 76 -0.796 14.880 -4.796 1.00 0.00 C ATOM 951 C SER A 76 -1.845 14.015 -5.498 1.00 0.00 C ATOM 952 O SER A 76 -2.743 14.516 -6.144 1.00 0.00 O ATOM 953 CB SER A 76 -0.996 14.794 -3.282 1.00 0.00 C ATOM 954 OG SER A 76 -2.354 14.473 -3.006 1.00 0.00 O ATOM 0 H SER A 76 -1.899 16.569 -5.495 1.00 0.00 H new ATOM 0 HA SER A 76 0.201 14.523 -5.055 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.338 14.035 -2.859 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.732 15.742 -2.814 1.00 0.00 H new ATOM 0 HG SER A 76 -2.486 14.415 -2.037 1.00 0.00 H new ATOM 960 N ALA A 77 -1.739 12.719 -5.376 1.00 0.00 N ATOM 961 CA ALA A 77 -2.734 11.828 -6.039 1.00 0.00 C ATOM 962 C ALA A 77 -2.974 10.590 -5.168 1.00 0.00 C ATOM 963 O ALA A 77 -2.049 9.993 -4.658 1.00 0.00 O ATOM 964 CB ALA A 77 -2.192 11.401 -7.400 1.00 0.00 C ATOM 0 H ALA A 77 -1.009 12.240 -4.848 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.676 12.361 -6.171 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.914 10.749 -7.891 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.022 12.283 -8.017 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.252 10.865 -7.266 1.00 0.00 H new ATOM 970 N LEU A 78 -4.210 10.204 -4.987 1.00 0.00 N ATOM 971 CA LEU A 78 -4.505 9.010 -4.140 1.00 0.00 C ATOM 972 C LEU A 78 -4.785 7.796 -5.027 1.00 0.00 C ATOM 973 O LEU A 78 -5.553 7.864 -5.967 1.00 0.00 O ATOM 974 CB LEU A 78 -5.727 9.295 -3.265 1.00 0.00 C ATOM 975 CG LEU A 78 -5.272 9.637 -1.845 1.00 0.00 C ATOM 976 CD1 LEU A 78 -4.204 10.732 -1.891 1.00 0.00 C ATOM 977 CD2 LEU A 78 -6.471 10.135 -1.036 1.00 0.00 C ATOM 0 H LEU A 78 -5.027 10.663 -5.389 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.643 8.799 -3.508 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.301 10.122 -3.683 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.385 8.426 -3.248 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.854 8.746 -1.377 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.884 10.971 -0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.348 10.382 -2.468 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.618 11.624 -2.361 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.150 10.380 -0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.886 11.025 -1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.233 9.356 -0.997 1.00 0.00 H new ATOM 989 N LEU A 79 -4.153 6.689 -4.742 1.00 0.00 N ATOM 990 CA LEU A 79 -4.357 5.472 -5.568 1.00 0.00 C ATOM 991 C LEU A 79 -4.947 4.355 -4.721 1.00 0.00 C ATOM 992 O LEU A 79 -4.773 4.314 -3.519 1.00 0.00 O ATOM 993 CB LEU A 79 -3.002 5.015 -6.098 1.00 0.00 C ATOM 994 CG LEU A 79 -2.966 5.016 -7.625 1.00 0.00 C ATOM 995 CD1 LEU A 79 -2.784 3.582 -8.125 1.00 0.00 C ATOM 996 CD2 LEU A 79 -4.257 5.597 -8.196 1.00 0.00 C ATOM 0 H LEU A 79 -3.500 6.579 -3.966 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.039 5.701 -6.387 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.221 5.671 -5.715 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.786 4.012 -5.729 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.133 5.635 -7.957 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.758 3.577 -9.215 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.849 3.178 -7.738 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.616 2.968 -7.779 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.210 5.588 -9.285 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.104 4.996 -7.865 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.380 6.622 -7.847 1.00 0.00 H new ATOM 1008 N GLY A 80 -5.628 3.442 -5.356 1.00 0.00 N ATOM 1009 CA GLY A 80 -6.235 2.301 -4.622 1.00 0.00 C ATOM 1010 C GLY A 80 -6.563 1.172 -5.609 1.00 0.00 C ATOM 1011 O GLY A 80 -7.664 1.084 -6.114 1.00 0.00 O ATOM 0 H GLY A 80 -5.790 3.439 -6.363 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.548 1.941 -3.856 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.141 2.625 -4.110 1.00 0.00 H new ATOM 1015 N THR A 81 -5.621 0.305 -5.888 1.00 0.00 N ATOM 1016 CA THR A 81 -5.892 -0.811 -6.848 1.00 0.00 C ATOM 1017 C THR A 81 -6.039 -2.132 -6.084 1.00 0.00 C ATOM 1018 O THR A 81 -6.062 -2.159 -4.873 1.00 0.00 O ATOM 1019 CB THR A 81 -4.739 -0.939 -7.858 1.00 0.00 C ATOM 1020 OG1 THR A 81 -3.870 -1.988 -7.458 1.00 0.00 O ATOM 1021 CG2 THR A 81 -3.946 0.368 -7.937 1.00 0.00 C ATOM 0 H THR A 81 -4.680 0.321 -5.495 1.00 0.00 H new ATOM 0 HA THR A 81 -6.816 -0.590 -7.383 1.00 0.00 H new ATOM 0 HB THR A 81 -5.160 -1.158 -8.839 1.00 0.00 H new ATOM 0 HG1 THR A 81 -3.836 -2.670 -8.161 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.135 0.258 -8.656 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.606 1.175 -8.255 1.00 0.00 H new ATOM 0 HG23 THR A 81 -3.532 0.602 -6.956 1.00 0.00 H new ATOM 1029 N ASP A 82 -6.135 -3.228 -6.795 1.00 0.00 N ATOM 1030 CA ASP A 82 -6.268 -4.562 -6.140 1.00 0.00 C ATOM 1031 C ASP A 82 -5.654 -5.614 -7.070 1.00 0.00 C ATOM 1032 O ASP A 82 -5.618 -5.431 -8.270 1.00 0.00 O ATOM 1033 CB ASP A 82 -7.749 -4.882 -5.916 1.00 0.00 C ATOM 1034 CG ASP A 82 -8.213 -4.273 -4.591 1.00 0.00 C ATOM 1035 OD1 ASP A 82 -8.046 -4.922 -3.573 1.00 0.00 O ATOM 1036 OD2 ASP A 82 -8.728 -3.168 -4.617 1.00 0.00 O ATOM 0 H ASP A 82 -6.127 -3.253 -7.815 1.00 0.00 H new ATOM 0 HA ASP A 82 -5.757 -4.561 -5.177 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.345 -4.486 -6.738 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -7.900 -5.961 -5.904 1.00 0.00 H new ATOM 1041 N VAL A 83 -5.168 -6.709 -6.545 1.00 0.00 N ATOM 1042 CA VAL A 83 -4.564 -7.739 -7.439 1.00 0.00 C ATOM 1043 C VAL A 83 -5.101 -9.124 -7.074 1.00 0.00 C ATOM 1044 O VAL A 83 -5.518 -9.365 -5.960 1.00 0.00 O ATOM 1045 CB VAL A 83 -3.032 -7.735 -7.309 1.00 0.00 C ATOM 1046 CG1 VAL A 83 -2.571 -6.788 -6.200 1.00 0.00 C ATOM 1047 CG2 VAL A 83 -2.545 -9.141 -6.964 1.00 0.00 C ATOM 0 H VAL A 83 -5.163 -6.932 -5.550 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.832 -7.502 -8.469 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.619 -7.401 -8.261 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.483 -6.808 -6.133 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.902 -5.774 -6.426 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.999 -7.106 -5.249 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.459 -9.137 -6.872 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.988 -9.458 -6.020 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.840 -9.832 -7.754 1.00 0.00 H new ATOM 1057 N GLN A 84 -5.084 -10.038 -8.010 1.00 0.00 N ATOM 1058 CA GLN A 84 -5.582 -11.414 -7.732 1.00 0.00 C ATOM 1059 C GLN A 84 -4.463 -12.422 -8.013 1.00 0.00 C ATOM 1060 O GLN A 84 -4.342 -12.941 -9.105 1.00 0.00 O ATOM 1061 CB GLN A 84 -6.780 -11.718 -8.634 1.00 0.00 C ATOM 1062 CG GLN A 84 -7.450 -13.015 -8.173 1.00 0.00 C ATOM 1063 CD GLN A 84 -8.326 -13.565 -9.299 1.00 0.00 C ATOM 1064 OE1 GLN A 84 -8.749 -12.833 -10.170 1.00 0.00 O ATOM 1065 NE2 GLN A 84 -8.617 -14.837 -9.318 1.00 0.00 N ATOM 0 H GLN A 84 -4.744 -9.887 -8.960 1.00 0.00 H new ATOM 0 HA GLN A 84 -5.888 -11.487 -6.689 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -7.494 -10.895 -8.598 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -6.454 -11.813 -9.670 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -6.693 -13.749 -7.895 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -8.055 -12.829 -7.285 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -8.262 -15.452 -8.586 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -9.200 -15.216 -10.065 1.00 0.00 H new ATOM 1074 N VAL A 85 -3.643 -12.701 -7.037 1.00 0.00 N ATOM 1075 CA VAL A 85 -2.532 -13.671 -7.247 1.00 0.00 C ATOM 1076 C VAL A 85 -3.063 -15.100 -7.102 1.00 0.00 C ATOM 1077 O VAL A 85 -3.876 -15.387 -6.246 1.00 0.00 O ATOM 1078 CB VAL A 85 -1.437 -13.414 -6.209 1.00 0.00 C ATOM 1079 CG1 VAL A 85 -0.351 -14.487 -6.322 1.00 0.00 C ATOM 1080 CG2 VAL A 85 -0.818 -12.038 -6.463 1.00 0.00 C ATOM 0 H VAL A 85 -3.695 -12.298 -6.101 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.119 -13.546 -8.248 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.871 -13.447 -5.210 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.425 -14.298 -5.581 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.790 -15.469 -6.146 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.086 -14.459 -7.320 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.037 -11.849 -5.727 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.387 -12.012 -7.464 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.588 -11.271 -6.380 1.00 0.00 H new ATOM 1090 N GLU A 86 -2.613 -15.998 -7.940 1.00 0.00 N ATOM 1091 CA GLU A 86 -3.094 -17.408 -7.862 1.00 0.00 C ATOM 1092 C GLU A 86 -1.921 -18.335 -7.535 1.00 0.00 C ATOM 1093 O GLU A 86 -0.777 -17.932 -7.552 1.00 0.00 O ATOM 1094 CB GLU A 86 -3.691 -17.812 -9.209 1.00 0.00 C ATOM 1095 CG GLU A 86 -4.884 -16.910 -9.534 1.00 0.00 C ATOM 1096 CD GLU A 86 -6.185 -17.667 -9.262 1.00 0.00 C ATOM 1097 OE1 GLU A 86 -6.568 -17.747 -8.107 1.00 0.00 O ATOM 1098 OE2 GLU A 86 -6.773 -18.155 -10.212 1.00 0.00 O ATOM 0 H GLU A 86 -1.932 -15.814 -8.676 1.00 0.00 H new ATOM 0 HA GLU A 86 -3.850 -17.489 -7.081 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -2.937 -17.730 -9.992 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.008 -18.854 -9.180 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.844 -16.004 -8.929 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -4.844 -16.598 -10.578 1.00 0.00 H new ATOM 1105 N ALA A 87 -2.194 -19.578 -7.246 1.00 0.00 N ATOM 1106 CA ALA A 87 -1.093 -20.530 -6.927 1.00 0.00 C ATOM 1107 C ALA A 87 -0.992 -21.579 -8.037 1.00 0.00 C ATOM 1108 O ALA A 87 -1.548 -22.655 -7.939 1.00 0.00 O ATOM 1109 CB ALA A 87 -1.383 -21.222 -5.593 1.00 0.00 C ATOM 0 H ALA A 87 -3.133 -19.976 -7.217 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.152 -19.986 -6.853 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.577 -21.918 -5.361 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.455 -20.474 -4.803 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.324 -21.767 -5.663 1.00 0.00 H new TER 1115 ALA A 87