USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 742 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 10 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 100 HIS : no HD1:sc= 0 X(o=0,f=0.004) USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.176 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 17 SER OG : rot 160:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN :FLIP amide:sc= -0.764 F(o=-1.7!,f=-0.76) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 1.05 K(o=1.1,f=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= -0.0022 X(o=-0.0022,f=-0.0022) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.125 USER MOD Single : A 46 SER OG : rot 180:sc= -0.0359 USER MOD Single : A 49 HIS : no HE2:sc= -3.28 K(o=-3.3,f=-4.7!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 65 ASN : amide:sc= 0.938 K(o=0.94,f=-6.6!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 ASN :FLIP amide:sc= -0.587 F(o=-1.6,f=-0.59) USER MOD Single : A 70 THR OG1 : rot 96:sc= 1.26 USER MOD Single : A 71 THR OG1 : rot 152:sc= -1.83! USER MOD Single : A 73 ASN : amide:sc= 2.2 K(o=2.2,f=-6.8!) USER MOD Single : A 74 ASN : amide:sc= -0.122 K(o=-0.12,f=-0.91) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 GLN : amide:sc= -0.345 X(o=-0.34,f=-0.13) USER MOD Single : A 92 HIS : no HE2:sc= 1.02 K(o=1,f=-3.1!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -178:sc= 0 (180deg=-0.00965) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.415 -13.970 -13.315 1.00 11.00 N ATOM 2 CA GLY A 1 -5.677 -14.342 -12.674 1.00 43.05 C ATOM 3 C GLY A 1 -6.109 -13.261 -11.736 1.00 10.52 C ATOM 4 O GLY A 1 -5.475 -12.206 -11.689 1.00 50.51 O ATOM 0 H1 GLY A 1 -4.499 -14.093 -14.344 1.00 11.00 H new ATOM 0 H2 GLY A 1 -4.197 -12.976 -13.102 1.00 11.00 H new ATOM 0 H3 GLY A 1 -3.651 -14.577 -12.955 1.00 11.00 H new ATOM 0 HA2 GLY A 1 -6.444 -14.507 -13.430 1.00 43.05 H new ATOM 0 HA3 GLY A 1 -5.557 -15.280 -12.132 1.00 43.05 H new ATOM 10 N HIS A 2 -7.168 -13.475 -10.990 1.00 41.33 N ATOM 11 CA HIS A 2 -7.568 -12.488 -10.020 1.00 15.32 C ATOM 12 C HIS A 2 -7.342 -13.067 -8.642 1.00 12.44 C ATOM 13 O HIS A 2 -7.256 -14.305 -8.485 1.00 21.20 O ATOM 14 CB HIS A 2 -9.042 -12.000 -10.201 1.00 44.23 C ATOM 15 CG HIS A 2 -10.121 -12.905 -9.654 1.00 72.54 C ATOM 16 ND1 HIS A 2 -10.827 -12.627 -8.497 1.00 2.11 N ATOM 17 CD2 HIS A 2 -10.614 -14.073 -10.117 1.00 22.24 C ATOM 18 CE1 HIS A 2 -11.699 -13.609 -8.296 1.00 55.23 C ATOM 19 NE2 HIS A 2 -11.614 -14.517 -9.255 1.00 11.42 N ATOM 0 H HIS A 2 -7.756 -14.307 -11.035 1.00 41.33 H new ATOM 0 HA HIS A 2 -6.959 -11.596 -10.164 1.00 15.32 H new ATOM 0 HB2 HIS A 2 -9.140 -11.025 -9.724 1.00 44.23 H new ATOM 0 HB3 HIS A 2 -9.225 -11.854 -11.266 1.00 44.23 H new ATOM 0 HD2 HIS A 2 -10.286 -14.581 -11.012 1.00 22.24 H new ATOM 0 HE1 HIS A 2 -12.384 -13.659 -7.463 1.00 55.23 H new ATOM 0 HE2 HIS A 2 -12.168 -15.369 -9.345 1.00 11.42 H new ATOM 27 N GLY A 3 -7.204 -12.230 -7.685 1.00 33.21 N ATOM 28 CA GLY A 3 -7.003 -12.683 -6.362 1.00 34.34 C ATOM 29 C GLY A 3 -6.767 -11.539 -5.454 1.00 30.44 C ATOM 30 O GLY A 3 -6.754 -10.377 -5.896 1.00 21.53 O ATOM 0 H GLY A 3 -7.227 -11.216 -7.795 1.00 33.21 H new ATOM 0 HA2 GLY A 3 -7.874 -13.247 -6.028 1.00 34.34 H new ATOM 0 HA3 GLY A 3 -6.152 -13.363 -6.329 1.00 34.34 H new ATOM 34 N SER A 4 -6.586 -11.831 -4.215 1.00 64.03 N ATOM 35 CA SER A 4 -6.357 -10.826 -3.236 1.00 61.12 C ATOM 36 C SER A 4 -4.869 -10.495 -3.197 1.00 23.31 C ATOM 37 O SER A 4 -4.024 -11.339 -3.540 1.00 24.41 O ATOM 38 CB SER A 4 -6.807 -11.360 -1.876 1.00 11.21 C ATOM 39 OG SER A 4 -8.105 -11.935 -1.970 1.00 63.41 O ATOM 0 H SER A 4 -6.593 -12.783 -3.848 1.00 64.03 H new ATOM 0 HA SER A 4 -6.917 -9.923 -3.480 1.00 61.12 H new ATOM 0 HB2 SER A 4 -6.097 -12.106 -1.519 1.00 11.21 H new ATOM 0 HB3 SER A 4 -6.813 -10.551 -1.145 1.00 11.21 H new ATOM 0 HG SER A 4 -8.377 -12.273 -1.092 1.00 63.41 H new ATOM 45 N ALA A 5 -4.548 -9.287 -2.819 1.00 42.24 N ATOM 46 CA ALA A 5 -3.171 -8.893 -2.627 1.00 34.51 C ATOM 47 C ALA A 5 -2.713 -9.408 -1.269 1.00 41.50 C ATOM 48 O ALA A 5 -1.527 -9.460 -0.960 1.00 64.13 O ATOM 49 CB ALA A 5 -3.036 -7.376 -2.703 1.00 63.15 C ATOM 0 H ALA A 5 -5.227 -8.548 -2.635 1.00 42.24 H new ATOM 0 HA ALA A 5 -2.547 -9.318 -3.413 1.00 34.51 H new ATOM 0 HB1 ALA A 5 -1.993 -7.096 -2.556 1.00 63.15 H new ATOM 0 HB2 ALA A 5 -3.371 -7.029 -3.681 1.00 63.15 H new ATOM 0 HB3 ALA A 5 -3.648 -6.917 -1.926 1.00 63.15 H new ATOM 55 N GLY A 6 -3.688 -9.764 -0.452 1.00 31.55 N ATOM 56 CA GLY A 6 -3.442 -10.321 0.855 1.00 44.31 C ATOM 57 C GLY A 6 -3.781 -9.314 1.899 1.00 13.24 C ATOM 58 O GLY A 6 -4.313 -9.630 2.962 1.00 34.24 O ATOM 0 H GLY A 6 -4.677 -9.672 -0.683 1.00 31.55 H new ATOM 0 HA2 GLY A 6 -4.040 -11.221 0.996 1.00 44.31 H new ATOM 0 HA3 GLY A 6 -2.396 -10.615 0.945 1.00 44.31 H new ATOM 62 N THR A 7 -3.475 -8.112 1.584 1.00 44.22 N ATOM 63 CA THR A 7 -3.738 -6.984 2.390 1.00 30.11 C ATOM 64 C THR A 7 -4.018 -5.835 1.436 1.00 21.22 C ATOM 65 O THR A 7 -3.334 -5.706 0.428 1.00 4.40 O ATOM 66 CB THR A 7 -2.492 -6.667 3.259 1.00 52.21 C ATOM 67 OG1 THR A 7 -2.207 -7.779 4.146 1.00 60.33 O ATOM 68 CG2 THR A 7 -2.684 -5.395 4.069 1.00 64.12 C ATOM 0 H THR A 7 -3.008 -7.877 0.708 1.00 44.22 H new ATOM 0 HA THR A 7 -4.581 -7.153 3.060 1.00 30.11 H new ATOM 0 HB THR A 7 -1.648 -6.513 2.586 1.00 52.21 H new ATOM 0 HG1 THR A 7 -1.418 -7.570 4.689 1.00 60.33 H new ATOM 0 HG21 THR A 7 -1.791 -5.205 4.665 1.00 64.12 H new ATOM 0 HG22 THR A 7 -2.855 -4.556 3.394 1.00 64.12 H new ATOM 0 HG23 THR A 7 -3.543 -5.510 4.729 1.00 64.12 H new ATOM 76 N SER A 8 -5.028 -5.071 1.684 1.00 52.35 N ATOM 77 CA SER A 8 -5.275 -3.943 0.860 1.00 53.51 C ATOM 78 C SER A 8 -4.910 -2.695 1.646 1.00 4.43 C ATOM 79 O SER A 8 -5.525 -2.375 2.652 1.00 14.15 O ATOM 80 CB SER A 8 -6.734 -3.937 0.446 1.00 74.22 C ATOM 81 OG SER A 8 -7.089 -5.185 -0.141 1.00 3.41 O ATOM 0 H SER A 8 -5.691 -5.208 2.447 1.00 52.35 H new ATOM 0 HA SER A 8 -4.673 -3.976 -0.048 1.00 53.51 H new ATOM 0 HB2 SER A 8 -7.364 -3.744 1.314 1.00 74.22 H new ATOM 0 HB3 SER A 8 -6.914 -3.130 -0.264 1.00 74.22 H new ATOM 0 HG SER A 8 -8.034 -5.167 -0.402 1.00 3.41 H new ATOM 87 N VAL A 9 -3.911 -2.006 1.203 1.00 3.31 N ATOM 88 CA VAL A 9 -3.448 -0.837 1.902 1.00 50.22 C ATOM 89 C VAL A 9 -4.023 0.411 1.251 1.00 23.32 C ATOM 90 O VAL A 9 -3.917 0.613 0.041 1.00 72.42 O ATOM 91 CB VAL A 9 -1.892 -0.810 2.029 1.00 21.23 C ATOM 92 CG1 VAL A 9 -1.221 -0.970 0.691 1.00 72.04 C ATOM 93 CG2 VAL A 9 -1.412 0.455 2.722 1.00 43.21 C ATOM 0 H VAL A 9 -3.391 -2.229 0.354 1.00 3.31 H new ATOM 0 HA VAL A 9 -3.814 -0.868 2.928 1.00 50.22 H new ATOM 0 HB VAL A 9 -1.609 -1.662 2.647 1.00 21.23 H new ATOM 0 HG11 VAL A 9 -0.139 -0.946 0.821 1.00 72.04 H new ATOM 0 HG12 VAL A 9 -1.512 -1.923 0.250 1.00 72.04 H new ATOM 0 HG13 VAL A 9 -1.525 -0.157 0.032 1.00 72.04 H new ATOM 0 HG21 VAL A 9 -0.324 0.440 2.793 1.00 43.21 H new ATOM 0 HG22 VAL A 9 -1.726 1.326 2.147 1.00 43.21 H new ATOM 0 HG23 VAL A 9 -1.841 0.507 3.723 1.00 43.21 H new ATOM 103 N THR A 10 -4.677 1.199 2.039 1.00 21.20 N ATOM 104 CA THR A 10 -5.387 2.337 1.560 1.00 61.14 C ATOM 105 C THR A 10 -4.983 3.569 2.355 1.00 73.41 C ATOM 106 O THR A 10 -4.945 3.537 3.593 1.00 51.25 O ATOM 107 CB THR A 10 -6.902 2.066 1.689 1.00 43.12 C ATOM 108 OG1 THR A 10 -7.184 0.799 1.065 1.00 70.20 O ATOM 109 CG2 THR A 10 -7.724 3.148 1.011 1.00 20.11 C ATOM 0 H THR A 10 -4.734 1.068 3.049 1.00 21.20 H new ATOM 0 HA THR A 10 -5.146 2.520 0.513 1.00 61.14 H new ATOM 0 HB THR A 10 -7.169 2.057 2.746 1.00 43.12 H new ATOM 0 HG1 THR A 10 -8.142 0.605 1.136 1.00 70.20 H new ATOM 0 HG21 THR A 10 -8.785 2.923 1.123 1.00 20.11 H new ATOM 0 HG22 THR A 10 -7.507 4.112 1.471 1.00 20.11 H new ATOM 0 HG23 THR A 10 -7.471 3.187 -0.049 1.00 20.11 H new ATOM 117 N LEU A 11 -4.646 4.620 1.652 1.00 51.40 N ATOM 118 CA LEU A 11 -4.256 5.849 2.272 1.00 55.21 C ATOM 119 C LEU A 11 -5.492 6.705 2.524 1.00 2.53 C ATOM 120 O LEU A 11 -6.393 6.770 1.677 1.00 73.31 O ATOM 121 CB LEU A 11 -3.137 6.559 1.450 1.00 62.01 C ATOM 122 CG LEU A 11 -3.414 6.953 -0.025 1.00 11.23 C ATOM 123 CD1 LEU A 11 -4.212 8.250 -0.137 1.00 61.55 C ATOM 124 CD2 LEU A 11 -2.113 7.058 -0.805 1.00 2.13 C ATOM 0 H LEU A 11 -4.636 4.642 0.632 1.00 51.40 H new ATOM 0 HA LEU A 11 -3.808 5.656 3.247 1.00 55.21 H new ATOM 0 HB2 LEU A 11 -2.863 7.468 1.986 1.00 62.01 H new ATOM 0 HB3 LEU A 11 -2.262 5.909 1.457 1.00 62.01 H new ATOM 0 HG LEU A 11 -4.024 6.161 -0.459 1.00 11.23 H new ATOM 0 HD11 LEU A 11 -4.381 8.484 -1.188 1.00 61.55 H new ATOM 0 HD12 LEU A 11 -5.171 8.132 0.367 1.00 61.55 H new ATOM 0 HD13 LEU A 11 -3.655 9.062 0.330 1.00 61.55 H new ATOM 0 HD21 LEU A 11 -2.329 7.335 -1.837 1.00 2.13 H new ATOM 0 HD22 LEU A 11 -1.477 7.817 -0.351 1.00 2.13 H new ATOM 0 HD23 LEU A 11 -1.600 6.097 -0.787 1.00 2.13 H new ATOM 136 N GLN A 12 -5.551 7.289 3.687 1.00 12.21 N ATOM 137 CA GLN A 12 -6.696 8.042 4.146 1.00 24.23 C ATOM 138 C GLN A 12 -6.295 9.473 4.505 1.00 41.50 C ATOM 139 O GLN A 12 -5.291 9.680 5.196 1.00 63.42 O ATOM 140 CB GLN A 12 -7.185 7.387 5.411 1.00 32.25 C ATOM 141 CG GLN A 12 -8.511 7.902 5.916 1.00 12.44 C ATOM 142 CD GLN A 12 -8.875 7.331 7.264 1.00 0.21 C ATOM 143 OE1 GLN A 12 -8.514 6.208 7.609 1.00 21.41 O ATOM 144 NE2 GLN A 12 -9.580 8.094 8.030 1.00 23.33 N ATOM 0 H GLN A 12 -4.788 7.257 4.363 1.00 12.21 H new ATOM 0 HA GLN A 12 -7.452 8.063 3.361 1.00 24.23 H new ATOM 0 HB2 GLN A 12 -7.269 6.314 5.239 1.00 32.25 H new ATOM 0 HB3 GLN A 12 -6.436 7.528 6.190 1.00 32.25 H new ATOM 0 HG2 GLN A 12 -8.473 8.989 5.983 1.00 12.44 H new ATOM 0 HG3 GLN A 12 -9.292 7.654 5.197 1.00 12.44 H new ATOM 0 HE21 GLN A 12 -9.861 9.020 7.708 1.00 23.33 H new ATOM 0 HE22 GLN A 12 -9.856 7.771 8.957 1.00 23.33 H new ATOM 153 N LEU A 13 -7.067 10.437 4.058 1.00 63.12 N ATOM 154 CA LEU A 13 -6.849 11.840 4.402 1.00 24.41 C ATOM 155 C LEU A 13 -8.200 12.488 4.430 1.00 50.24 C ATOM 156 O LEU A 13 -9.083 12.090 3.672 1.00 52.24 O ATOM 157 CB LEU A 13 -5.909 12.564 3.387 1.00 62.01 C ATOM 158 CG LEU A 13 -6.483 12.918 2.003 1.00 53.00 C ATOM 159 CD1 LEU A 13 -7.019 14.353 1.962 1.00 21.53 C ATOM 160 CD2 LEU A 13 -5.473 12.669 0.896 1.00 73.24 C ATOM 0 H LEU A 13 -7.867 10.280 3.445 1.00 63.12 H new ATOM 0 HA LEU A 13 -6.349 11.912 5.368 1.00 24.41 H new ATOM 0 HB2 LEU A 13 -5.562 13.487 3.852 1.00 62.01 H new ATOM 0 HB3 LEU A 13 -5.032 11.935 3.235 1.00 62.01 H new ATOM 0 HG LEU A 13 -7.328 12.252 1.827 1.00 53.00 H new ATOM 0 HD11 LEU A 13 -7.416 14.565 0.969 1.00 21.53 H new ATOM 0 HD12 LEU A 13 -7.812 14.466 2.701 1.00 21.53 H new ATOM 0 HD13 LEU A 13 -6.211 15.050 2.187 1.00 21.53 H new ATOM 0 HD21 LEU A 13 -5.915 12.931 -0.065 1.00 73.24 H new ATOM 0 HD22 LEU A 13 -4.588 13.281 1.067 1.00 73.24 H new ATOM 0 HD23 LEU A 13 -5.191 11.616 0.891 1.00 73.24 H new ATOM 172 N ASP A 14 -8.404 13.434 5.269 1.00 22.31 N ATOM 173 CA ASP A 14 -9.686 14.059 5.310 1.00 32.01 C ATOM 174 C ASP A 14 -9.648 15.412 4.694 1.00 72.44 C ATOM 175 O ASP A 14 -8.911 16.300 5.128 1.00 13.12 O ATOM 176 CB ASP A 14 -10.316 14.106 6.693 1.00 32.02 C ATOM 177 CG ASP A 14 -11.651 14.814 6.631 1.00 41.04 C ATOM 178 OD1 ASP A 14 -12.424 14.563 5.686 1.00 2.04 O ATOM 179 OD2 ASP A 14 -11.918 15.683 7.475 1.00 52.12 O ATOM 0 H ASP A 14 -7.716 13.794 5.931 1.00 22.31 H new ATOM 0 HA ASP A 14 -10.336 13.418 4.715 1.00 32.01 H new ATOM 0 HB2 ASP A 14 -10.450 13.094 7.075 1.00 32.02 H new ATOM 0 HB3 ASP A 14 -9.653 14.623 7.386 1.00 32.02 H new ATOM 184 N ASP A 15 -10.415 15.548 3.660 1.00 12.45 N ATOM 185 CA ASP A 15 -10.536 16.787 2.935 1.00 44.25 C ATOM 186 C ASP A 15 -11.968 17.327 3.110 1.00 52.41 C ATOM 187 O ASP A 15 -12.361 18.316 2.513 1.00 23.53 O ATOM 188 CB ASP A 15 -10.206 16.522 1.457 1.00 24.03 C ATOM 189 CG ASP A 15 -10.255 17.742 0.551 1.00 63.12 C ATOM 190 OD1 ASP A 15 -9.303 18.566 0.566 1.00 32.41 O ATOM 191 OD2 ASP A 15 -11.220 17.874 -0.230 1.00 63.10 O ATOM 0 H ASP A 15 -10.988 14.792 3.284 1.00 12.45 H new ATOM 0 HA ASP A 15 -9.842 17.537 3.314 1.00 44.25 H new ATOM 0 HB2 ASP A 15 -9.209 16.085 1.397 1.00 24.03 H new ATOM 0 HB3 ASP A 15 -10.904 15.777 1.074 1.00 24.03 H new ATOM 196 N GLY A 16 -12.734 16.667 3.961 1.00 44.34 N ATOM 197 CA GLY A 16 -14.099 17.074 4.193 1.00 32.04 C ATOM 198 C GLY A 16 -15.088 15.959 3.944 1.00 31.14 C ATOM 199 O GLY A 16 -16.222 16.223 3.511 1.00 71.44 O ATOM 0 H GLY A 16 -12.432 15.853 4.497 1.00 44.34 H new ATOM 0 HA2 GLY A 16 -14.201 17.422 5.221 1.00 32.04 H new ATOM 0 HA3 GLY A 16 -14.338 17.918 3.546 1.00 32.04 H new ATOM 203 N SER A 17 -14.672 14.724 4.234 1.00 13.42 N ATOM 204 CA SER A 17 -15.483 13.526 4.048 1.00 72.42 C ATOM 205 C SER A 17 -14.674 12.274 4.406 1.00 4.00 C ATOM 206 O SER A 17 -15.188 11.321 5.017 1.00 15.03 O ATOM 207 CB SER A 17 -15.973 13.430 2.597 1.00 60.15 C ATOM 208 OG SER A 17 -14.885 13.463 1.671 1.00 21.30 O ATOM 0 H SER A 17 -13.745 14.529 4.611 1.00 13.42 H new ATOM 0 HA SER A 17 -16.347 13.591 4.709 1.00 72.42 H new ATOM 0 HB2 SER A 17 -16.537 12.507 2.463 1.00 60.15 H new ATOM 0 HB3 SER A 17 -16.655 14.254 2.387 1.00 60.15 H new ATOM 0 HG SER A 17 -15.174 13.088 0.813 1.00 21.30 H new ATOM 214 N GLY A 18 -13.417 12.293 4.027 1.00 60.54 N ATOM 215 CA GLY A 18 -12.545 11.177 4.232 1.00 73.33 C ATOM 216 C GLY A 18 -12.202 10.546 2.909 1.00 2.11 C ATOM 217 O GLY A 18 -12.946 9.709 2.405 1.00 25.04 O ATOM 0 H GLY A 18 -12.976 13.089 3.567 1.00 60.54 H new ATOM 0 HA2 GLY A 18 -11.635 11.503 4.736 1.00 73.33 H new ATOM 0 HA3 GLY A 18 -13.024 10.444 4.881 1.00 73.33 H new ATOM 221 N ARG A 19 -11.094 10.960 2.335 1.00 54.44 N ATOM 222 CA ARG A 19 -10.665 10.468 1.041 1.00 71.44 C ATOM 223 C ARG A 19 -9.849 9.259 1.258 1.00 44.24 C ATOM 224 O ARG A 19 -9.121 9.174 2.254 1.00 44.11 O ATOM 225 CB ARG A 19 -9.743 11.428 0.339 1.00 22.20 C ATOM 226 CG ARG A 19 -10.210 12.840 0.197 1.00 0.04 C ATOM 227 CD ARG A 19 -11.427 13.006 -0.685 1.00 74.31 C ATOM 228 NE ARG A 19 -11.778 14.431 -0.793 1.00 60.10 N ATOM 229 CZ ARG A 19 -13.009 14.920 -0.946 1.00 64.20 C ATOM 230 NH1 ARG A 19 -14.020 14.103 -1.228 1.00 73.25 N ATOM 231 NH2 ARG A 19 -13.218 16.230 -0.864 1.00 24.24 N ATOM 0 H ARG A 19 -10.464 11.647 2.750 1.00 54.44 H new ATOM 0 HA ARG A 19 -11.565 10.305 0.448 1.00 71.44 H new ATOM 0 HB2 ARG A 19 -8.794 11.438 0.875 1.00 22.20 H new ATOM 0 HB3 ARG A 19 -9.542 11.036 -0.658 1.00 22.20 H new ATOM 0 HG2 ARG A 19 -10.436 13.237 1.187 1.00 0.04 H new ATOM 0 HG3 ARG A 19 -9.396 13.441 -0.209 1.00 0.04 H new ATOM 0 HD2 ARG A 19 -11.228 12.596 -1.675 1.00 74.31 H new ATOM 0 HD3 ARG A 19 -12.266 12.446 -0.271 1.00 74.31 H new ATOM 0 HE ARG A 19 -11.013 15.104 -0.747 1.00 60.10 H new ATOM 0 HH11 ARG A 19 -13.854 13.102 -1.327 1.00 73.25 H new ATOM 0 HH12 ARG A 19 -14.961 14.478 -1.345 1.00 73.25 H new ATOM 0 HH21 ARG A 19 -12.437 16.861 -0.684 1.00 24.24 H new ATOM 0 HH22 ARG A 19 -14.160 16.605 -0.981 1.00 24.24 H new ATOM 245 N THR A 20 -9.897 8.370 0.327 1.00 44.53 N ATOM 246 CA THR A 20 -9.151 7.145 0.420 1.00 11.33 C ATOM 247 C THR A 20 -8.683 6.681 -0.957 1.00 55.42 C ATOM 248 O THR A 20 -9.460 6.662 -1.921 1.00 54.00 O ATOM 249 CB THR A 20 -9.972 6.028 1.111 1.00 73.14 C ATOM 250 OG1 THR A 20 -11.270 5.930 0.503 1.00 63.52 O ATOM 251 CG2 THR A 20 -10.132 6.292 2.594 1.00 72.14 C ATOM 0 H THR A 20 -10.452 8.464 -0.524 1.00 44.53 H new ATOM 0 HA THR A 20 -8.274 7.349 1.035 1.00 11.33 H new ATOM 0 HB THR A 20 -9.429 5.091 0.987 1.00 73.14 H new ATOM 0 HG1 THR A 20 -11.784 5.221 0.943 1.00 63.52 H new ATOM 0 HG21 THR A 20 -10.713 5.488 3.046 1.00 72.14 H new ATOM 0 HG22 THR A 20 -9.149 6.338 3.064 1.00 72.14 H new ATOM 0 HG23 THR A 20 -10.649 7.240 2.741 1.00 72.14 H new ATOM 259 N TYR A 21 -7.438 6.333 -1.052 1.00 55.03 N ATOM 260 CA TYR A 21 -6.868 5.848 -2.288 1.00 20.40 C ATOM 261 C TYR A 21 -6.152 4.566 -1.973 1.00 65.32 C ATOM 262 O TYR A 21 -5.314 4.526 -1.061 1.00 1.23 O ATOM 263 CB TYR A 21 -5.899 6.884 -2.873 1.00 2.11 C ATOM 264 CG TYR A 21 -5.350 6.569 -4.256 1.00 72.53 C ATOM 265 CD1 TYR A 21 -6.010 7.009 -5.397 1.00 3.12 C ATOM 266 CD2 TYR A 21 -4.156 5.872 -4.419 1.00 61.45 C ATOM 267 CE1 TYR A 21 -5.501 6.763 -6.656 1.00 64.02 C ATOM 268 CE2 TYR A 21 -3.644 5.615 -5.678 1.00 22.51 C ATOM 269 CZ TYR A 21 -4.318 6.069 -6.793 1.00 32.33 C ATOM 270 OH TYR A 21 -3.803 5.832 -8.052 1.00 2.22 O ATOM 0 H TYR A 21 -6.778 6.374 -0.275 1.00 55.03 H new ATOM 0 HA TYR A 21 -7.645 5.677 -3.033 1.00 20.40 H new ATOM 0 HB2 TYR A 21 -6.408 7.847 -2.915 1.00 2.11 H new ATOM 0 HB3 TYR A 21 -5.060 6.997 -2.187 1.00 2.11 H new ATOM 0 HD1 TYR A 21 -6.938 7.553 -5.297 1.00 3.12 H new ATOM 0 HD2 TYR A 21 -3.620 5.526 -3.547 1.00 61.45 H new ATOM 0 HE1 TYR A 21 -6.028 7.113 -7.531 1.00 64.02 H new ATOM 0 HE2 TYR A 21 -2.723 5.062 -5.788 1.00 22.51 H new ATOM 0 HH TYR A 21 -2.964 5.332 -7.973 1.00 2.22 H new ATOM 280 N GLN A 22 -6.494 3.526 -2.655 1.00 71.42 N ATOM 281 CA GLN A 22 -5.904 2.253 -2.392 1.00 25.10 C ATOM 282 C GLN A 22 -4.709 2.025 -3.284 1.00 55.24 C ATOM 283 O GLN A 22 -4.772 2.239 -4.498 1.00 40.21 O ATOM 284 CB GLN A 22 -6.934 1.148 -2.545 1.00 74.03 C ATOM 285 CG GLN A 22 -6.416 -0.236 -2.215 1.00 73.24 C ATOM 286 CD GLN A 22 -7.501 -1.269 -2.282 1.00 32.14 C ATOM 287 OE1 GLN A 22 -8.173 -1.472 -1.182 1.00 44.12 O flip ATOM 288 NE2 GLN A 22 -7.746 -1.865 -3.330 1.00 22.45 N flip ATOM 0 H GLN A 22 -7.185 3.531 -3.405 1.00 71.42 H new ATOM 0 HA GLN A 22 -5.551 2.238 -1.361 1.00 25.10 H new ATOM 0 HB2 GLN A 22 -7.785 1.368 -1.900 1.00 74.03 H new ATOM 0 HB3 GLN A 22 -7.303 1.150 -3.571 1.00 74.03 H new ATOM 0 HG2 GLN A 22 -5.619 -0.501 -2.910 1.00 73.24 H new ATOM 0 HG3 GLN A 22 -5.980 -0.232 -1.216 1.00 73.24 H new ATOM 0 HE21 GLN A 22 -7.194 -1.674 -4.166 1.00 22.45 H new ATOM 0 HE22 GLN A 22 -8.501 -2.550 -3.363 1.00 22.45 H new ATOM 297 N LEU A 23 -3.631 1.608 -2.675 1.00 52.42 N ATOM 298 CA LEU A 23 -2.405 1.324 -3.366 1.00 10.12 C ATOM 299 C LEU A 23 -2.533 -0.005 -4.056 1.00 41.14 C ATOM 300 O LEU A 23 -3.122 -0.942 -3.507 1.00 33.52 O ATOM 301 CB LEU A 23 -1.257 1.240 -2.374 1.00 34.53 C ATOM 302 CG LEU A 23 -0.947 2.498 -1.559 1.00 40.14 C ATOM 303 CD1 LEU A 23 0.091 2.180 -0.509 1.00 30.34 C ATOM 304 CD2 LEU A 23 -0.441 3.615 -2.457 1.00 43.32 C ATOM 0 H LEU A 23 -3.581 1.454 -1.668 1.00 52.42 H new ATOM 0 HA LEU A 23 -2.209 2.117 -4.088 1.00 10.12 H new ATOM 0 HB2 LEU A 23 -1.471 0.429 -1.677 1.00 34.53 H new ATOM 0 HB3 LEU A 23 -0.357 0.961 -2.921 1.00 34.53 H new ATOM 0 HG LEU A 23 -1.866 2.832 -1.078 1.00 40.14 H new ATOM 0 HD11 LEU A 23 0.310 3.077 0.070 1.00 30.34 H new ATOM 0 HD12 LEU A 23 -0.289 1.404 0.155 1.00 30.34 H new ATOM 0 HD13 LEU A 23 1.002 1.829 -0.993 1.00 30.34 H new ATOM 0 HD21 LEU A 23 -0.228 4.498 -1.854 1.00 43.32 H new ATOM 0 HD22 LEU A 23 0.469 3.292 -2.962 1.00 43.32 H new ATOM 0 HD23 LEU A 23 -1.201 3.857 -3.200 1.00 43.32 H new ATOM 316 N ARG A 24 -2.016 -0.089 -5.241 1.00 31.44 N ATOM 317 CA ARG A 24 -2.054 -1.321 -5.970 1.00 71.35 C ATOM 318 C ARG A 24 -0.657 -1.864 -6.019 1.00 11.12 C ATOM 319 O ARG A 24 0.291 -1.147 -5.648 1.00 25.52 O ATOM 320 CB ARG A 24 -2.619 -1.157 -7.393 1.00 73.33 C ATOM 321 CG ARG A 24 -4.007 -0.519 -7.469 1.00 13.03 C ATOM 322 CD ARG A 24 -3.921 1.001 -7.418 1.00 21.31 C ATOM 323 NE ARG A 24 -5.239 1.640 -7.337 1.00 10.14 N ATOM 324 CZ ARG A 24 -5.888 2.213 -8.360 1.00 63.51 C ATOM 325 NH1 ARG A 24 -5.414 2.115 -9.601 1.00 33.12 N ATOM 326 NH2 ARG A 24 -7.030 2.858 -8.144 1.00 63.41 N ATOM 0 H ARG A 24 -1.560 0.683 -5.727 1.00 31.44 H new ATOM 0 HA ARG A 24 -2.727 -2.010 -5.460 1.00 71.35 H new ATOM 0 HB2 ARG A 24 -1.925 -0.551 -7.975 1.00 73.33 H new ATOM 0 HB3 ARG A 24 -2.660 -2.138 -7.866 1.00 73.33 H new ATOM 0 HG2 ARG A 24 -4.501 -0.827 -8.391 1.00 13.03 H new ATOM 0 HG3 ARG A 24 -4.621 -0.879 -6.643 1.00 13.03 H new ATOM 0 HD2 ARG A 24 -3.324 1.298 -6.556 1.00 21.31 H new ATOM 0 HD3 ARG A 24 -3.401 1.361 -8.306 1.00 21.31 H new ATOM 0 HE ARG A 24 -5.700 1.649 -6.427 1.00 10.14 H new ATOM 0 HH11 ARG A 24 -4.551 1.601 -9.778 1.00 33.12 H new ATOM 0 HH12 ARG A 24 -5.914 2.554 -10.374 1.00 33.12 H new ATOM 0 HH21 ARG A 24 -7.412 2.917 -7.200 1.00 63.41 H new ATOM 0 HH22 ARG A 24 -7.524 3.294 -8.922 1.00 63.41 H new ATOM 340 N GLU A 25 -0.514 -3.089 -6.469 1.00 73.51 N ATOM 341 CA GLU A 25 0.783 -3.735 -6.518 1.00 32.42 C ATOM 342 C GLU A 25 1.738 -3.010 -7.461 1.00 41.23 C ATOM 343 O GLU A 25 1.383 -2.650 -8.605 1.00 75.42 O ATOM 344 CB GLU A 25 0.660 -5.222 -6.845 1.00 61.33 C ATOM 345 CG GLU A 25 -0.100 -5.531 -8.115 1.00 72.23 C ATOM 346 CD GLU A 25 -0.144 -6.998 -8.395 1.00 52.40 C ATOM 347 OE1 GLU A 25 0.802 -7.518 -9.010 1.00 51.21 O ATOM 348 OE2 GLU A 25 -1.131 -7.669 -8.013 1.00 65.24 O ATOM 0 H GLU A 25 -1.284 -3.664 -6.809 1.00 73.51 H new ATOM 0 HA GLU A 25 1.219 -3.669 -5.521 1.00 32.42 H new ATOM 0 HB2 GLU A 25 1.661 -5.646 -6.925 1.00 61.33 H new ATOM 0 HB3 GLU A 25 0.167 -5.723 -6.012 1.00 61.33 H new ATOM 0 HG2 GLU A 25 -1.117 -5.147 -8.032 1.00 72.23 H new ATOM 0 HG3 GLU A 25 0.369 -5.015 -8.953 1.00 72.23 H new ATOM 355 N GLY A 26 2.905 -2.760 -6.962 1.00 52.51 N ATOM 356 CA GLY A 26 3.897 -2.018 -7.669 1.00 12.42 C ATOM 357 C GLY A 26 4.272 -0.825 -6.849 1.00 70.32 C ATOM 358 O GLY A 26 3.862 -0.723 -5.678 1.00 65.13 O ATOM 0 H GLY A 26 3.200 -3.071 -6.036 1.00 52.51 H new ATOM 0 HA2 GLY A 26 4.773 -2.639 -7.856 1.00 12.42 H new ATOM 0 HA3 GLY A 26 3.515 -1.705 -8.641 1.00 12.42 H new ATOM 362 N SER A 27 5.021 0.076 -7.396 1.00 24.54 N ATOM 363 CA SER A 27 5.351 1.233 -6.648 1.00 71.20 C ATOM 364 C SER A 27 4.461 2.394 -7.048 1.00 73.33 C ATOM 365 O SER A 27 4.282 2.694 -8.237 1.00 74.32 O ATOM 366 CB SER A 27 6.829 1.563 -6.744 1.00 64.21 C ATOM 367 OG SER A 27 7.238 1.752 -8.098 1.00 2.42 O ATOM 0 H SER A 27 5.407 0.032 -8.339 1.00 24.54 H new ATOM 0 HA SER A 27 5.161 1.028 -5.594 1.00 71.20 H new ATOM 0 HB2 SER A 27 7.039 2.466 -6.171 1.00 64.21 H new ATOM 0 HB3 SER A 27 7.412 0.758 -6.296 1.00 64.21 H new ATOM 0 HG SER A 27 8.194 1.965 -8.124 1.00 2.42 H new ATOM 373 N ASN A 28 3.891 3.013 -6.079 1.00 72.34 N ATOM 374 CA ASN A 28 2.985 4.088 -6.296 1.00 23.41 C ATOM 375 C ASN A 28 3.675 5.355 -5.876 1.00 33.42 C ATOM 376 O ASN A 28 3.950 5.563 -4.699 1.00 32.42 O ATOM 377 CB ASN A 28 1.679 3.865 -5.504 1.00 25.23 C ATOM 378 CG ASN A 28 0.960 2.563 -5.890 1.00 23.03 C ATOM 379 OD1 ASN A 28 0.116 2.539 -6.789 1.00 74.13 O ATOM 380 ND2 ASN A 28 1.290 1.479 -5.217 1.00 75.03 N ATOM 0 H ASN A 28 4.041 2.786 -5.096 1.00 72.34 H new ATOM 0 HA ASN A 28 2.707 4.151 -7.348 1.00 23.41 H new ATOM 0 HB2 ASN A 28 1.905 3.847 -4.438 1.00 25.23 H new ATOM 0 HB3 ASN A 28 1.009 4.708 -5.673 1.00 25.23 H new ATOM 0 HD21 ASN A 28 0.843 0.588 -5.434 1.00 75.03 H new ATOM 0 HD22 ASN A 28 1.992 1.531 -4.479 1.00 75.03 H new ATOM 387 N ILE A 29 4.003 6.158 -6.844 1.00 31.34 N ATOM 388 CA ILE A 29 4.724 7.395 -6.627 1.00 53.24 C ATOM 389 C ILE A 29 3.743 8.502 -6.306 1.00 62.54 C ATOM 390 O ILE A 29 2.741 8.654 -6.996 1.00 72.13 O ATOM 391 CB ILE A 29 5.528 7.783 -7.892 1.00 31.14 C ATOM 392 CG1 ILE A 29 6.433 6.621 -8.314 1.00 50.32 C ATOM 393 CG2 ILE A 29 6.359 9.048 -7.646 1.00 61.10 C ATOM 394 CD1 ILE A 29 7.164 6.857 -9.611 1.00 70.42 C ATOM 0 H ILE A 29 3.778 5.978 -7.822 1.00 31.34 H new ATOM 0 HA ILE A 29 5.414 7.254 -5.795 1.00 53.24 H new ATOM 0 HB ILE A 29 4.824 7.994 -8.697 1.00 31.14 H new ATOM 0 HG12 ILE A 29 7.162 6.436 -7.525 1.00 50.32 H new ATOM 0 HG13 ILE A 29 5.829 5.718 -8.407 1.00 50.32 H new ATOM 0 HG21 ILE A 29 6.915 9.300 -8.549 1.00 61.10 H new ATOM 0 HG22 ILE A 29 5.697 9.874 -7.385 1.00 61.10 H new ATOM 0 HG23 ILE A 29 7.057 8.871 -6.828 1.00 61.10 H new ATOM 0 HD11 ILE A 29 7.784 5.991 -9.842 1.00 70.42 H new ATOM 0 HD12 ILE A 29 6.442 7.011 -10.413 1.00 70.42 H new ATOM 0 HD13 ILE A 29 7.796 7.740 -9.517 1.00 70.42 H new ATOM 406 N ILE A 30 4.027 9.237 -5.279 1.00 11.23 N ATOM 407 CA ILE A 30 3.212 10.331 -4.854 1.00 61.35 C ATOM 408 C ILE A 30 3.932 11.641 -5.158 1.00 75.01 C ATOM 409 O ILE A 30 5.134 11.804 -4.826 1.00 30.54 O ATOM 410 CB ILE A 30 2.874 10.234 -3.330 1.00 3.23 C ATOM 411 CG1 ILE A 30 2.090 8.936 -3.035 1.00 12.34 C ATOM 412 CG2 ILE A 30 2.116 11.467 -2.852 1.00 71.14 C ATOM 413 CD1 ILE A 30 1.689 8.754 -1.580 1.00 70.10 C ATOM 0 H ILE A 30 4.852 9.090 -4.698 1.00 11.23 H new ATOM 0 HA ILE A 30 2.269 10.295 -5.399 1.00 61.35 H new ATOM 0 HB ILE A 30 3.810 10.198 -2.772 1.00 3.23 H new ATOM 0 HG12 ILE A 30 1.190 8.923 -3.650 1.00 12.34 H new ATOM 0 HG13 ILE A 30 2.697 8.084 -3.340 1.00 12.34 H new ATOM 0 HG21 ILE A 30 1.896 11.369 -1.789 1.00 71.14 H new ATOM 0 HG22 ILE A 30 2.726 12.355 -3.016 1.00 71.14 H new ATOM 0 HG23 ILE A 30 1.183 11.559 -3.409 1.00 71.14 H new ATOM 0 HD11 ILE A 30 1.144 7.817 -1.467 1.00 70.10 H new ATOM 0 HD12 ILE A 30 2.583 8.731 -0.956 1.00 70.10 H new ATOM 0 HD13 ILE A 30 1.053 9.583 -1.271 1.00 70.10 H new ATOM 425 N GLY A 31 3.227 12.524 -5.829 1.00 63.52 N ATOM 426 CA GLY A 31 3.737 13.820 -6.159 1.00 14.41 C ATOM 427 C GLY A 31 2.929 14.446 -7.239 1.00 11.23 C ATOM 428 O GLY A 31 1.881 13.935 -7.590 1.00 2.33 O ATOM 0 H GLY A 31 2.277 12.354 -6.160 1.00 63.52 H new ATOM 0 HA2 GLY A 31 3.725 14.457 -5.274 1.00 14.41 H new ATOM 0 HA3 GLY A 31 4.776 13.737 -6.478 1.00 14.41 H new ATOM 432 N ARG A 32 3.372 15.546 -7.759 1.00 13.13 N ATOM 433 CA ARG A 32 2.642 16.191 -8.814 1.00 61.22 C ATOM 434 C ARG A 32 3.397 16.076 -10.100 1.00 50.52 C ATOM 435 O ARG A 32 4.446 16.698 -10.275 1.00 22.55 O ATOM 436 CB ARG A 32 2.343 17.655 -8.526 1.00 74.32 C ATOM 437 CG ARG A 32 1.413 17.921 -7.360 1.00 63.41 C ATOM 438 CD ARG A 32 0.988 19.384 -7.393 1.00 11.15 C ATOM 439 NE ARG A 32 0.056 19.785 -6.323 1.00 24.15 N ATOM 440 CZ ARG A 32 -0.920 20.706 -6.487 1.00 12.32 C ATOM 441 NH1 ARG A 32 -1.268 21.098 -7.714 1.00 55.34 N ATOM 442 NH2 ARG A 32 -1.579 21.185 -5.431 1.00 64.24 N ATOM 0 H ARG A 32 4.231 16.018 -7.475 1.00 13.13 H new ATOM 0 HA ARG A 32 1.683 15.679 -8.889 1.00 61.22 H new ATOM 0 HB2 ARG A 32 3.286 18.169 -8.339 1.00 74.32 H new ATOM 0 HB3 ARG A 32 1.909 18.101 -9.421 1.00 74.32 H new ATOM 0 HG2 ARG A 32 0.539 17.273 -7.419 1.00 63.41 H new ATOM 0 HG3 ARG A 32 1.914 17.695 -6.419 1.00 63.41 H new ATOM 0 HD2 ARG A 32 1.880 20.008 -7.330 1.00 11.15 H new ATOM 0 HD3 ARG A 32 0.522 19.590 -8.357 1.00 11.15 H new ATOM 0 HE ARG A 32 0.153 19.343 -5.409 1.00 24.15 H new ATOM 0 HH11 ARG A 32 -0.798 20.703 -8.528 1.00 55.34 H new ATOM 0 HH12 ARG A 32 -2.004 21.793 -7.838 1.00 55.34 H new ATOM 0 HH21 ARG A 32 -1.348 20.857 -4.493 1.00 64.24 H new ATOM 0 HH22 ARG A 32 -2.314 21.880 -5.561 1.00 64.24 H new ATOM 456 N GLY A 33 2.903 15.259 -10.967 1.00 63.32 N ATOM 457 CA GLY A 33 3.496 15.088 -12.233 1.00 64.25 C ATOM 458 C GLY A 33 2.772 14.038 -12.988 1.00 24.51 C ATOM 459 O GLY A 33 1.851 13.418 -12.454 1.00 22.10 O ATOM 0 H GLY A 33 2.071 14.691 -10.808 1.00 63.32 H new ATOM 0 HA2 GLY A 33 3.473 16.027 -12.785 1.00 64.25 H new ATOM 0 HA3 GLY A 33 4.544 14.810 -12.120 1.00 64.25 H new ATOM 463 N GLN A 34 3.180 13.819 -14.197 1.00 4.51 N ATOM 464 CA GLN A 34 2.622 12.780 -15.026 1.00 33.23 C ATOM 465 C GLN A 34 3.369 11.481 -14.717 1.00 0.43 C ATOM 466 O GLN A 34 2.871 10.378 -14.939 1.00 62.44 O ATOM 467 CB GLN A 34 2.795 13.151 -16.506 1.00 24.13 C ATOM 468 CG GLN A 34 2.162 14.480 -16.901 1.00 54.53 C ATOM 469 CD GLN A 34 0.651 14.479 -16.782 1.00 1.24 C ATOM 470 OE1 GLN A 34 0.090 14.796 -15.735 1.00 4.31 O ATOM 471 NE2 GLN A 34 -0.013 14.160 -17.857 1.00 62.00 N ATOM 0 H GLN A 34 3.918 14.359 -14.649 1.00 4.51 H new ATOM 0 HA GLN A 34 1.558 12.658 -14.825 1.00 33.23 H new ATOM 0 HB2 GLN A 34 3.860 13.187 -16.737 1.00 24.13 H new ATOM 0 HB3 GLN A 34 2.363 12.360 -17.119 1.00 24.13 H new ATOM 0 HG2 GLN A 34 2.569 15.271 -16.271 1.00 54.53 H new ATOM 0 HG3 GLN A 34 2.439 14.716 -17.928 1.00 54.53 H new ATOM 0 HE21 GLN A 34 0.487 13.902 -18.708 1.00 62.00 H new ATOM 0 HE22 GLN A 34 -1.033 14.168 -17.848 1.00 62.00 H new ATOM 480 N ASP A 35 4.577 11.643 -14.200 1.00 41.21 N ATOM 481 CA ASP A 35 5.450 10.522 -13.818 1.00 62.40 C ATOM 482 C ASP A 35 4.953 9.937 -12.493 1.00 71.52 C ATOM 483 O ASP A 35 5.102 8.748 -12.211 1.00 11.15 O ATOM 484 CB ASP A 35 6.893 11.041 -13.669 1.00 22.44 C ATOM 485 CG ASP A 35 7.951 9.957 -13.512 1.00 21.12 C ATOM 486 OD1 ASP A 35 8.491 9.487 -14.543 1.00 24.21 O ATOM 487 OD2 ASP A 35 8.324 9.608 -12.374 1.00 11.32 O ATOM 0 H ASP A 35 4.991 12.559 -14.029 1.00 41.21 H new ATOM 0 HA ASP A 35 5.430 9.744 -14.581 1.00 62.40 H new ATOM 0 HB2 ASP A 35 7.139 11.644 -14.543 1.00 22.44 H new ATOM 0 HB3 ASP A 35 6.939 11.701 -12.803 1.00 22.44 H new ATOM 492 N ALA A 36 4.312 10.795 -11.717 1.00 23.13 N ATOM 493 CA ALA A 36 3.750 10.431 -10.434 1.00 52.51 C ATOM 494 C ALA A 36 2.431 9.692 -10.621 1.00 4.33 C ATOM 495 O ALA A 36 1.600 10.078 -11.457 1.00 44.01 O ATOM 496 CB ALA A 36 3.529 11.670 -9.595 1.00 75.14 C ATOM 0 H ALA A 36 4.167 11.774 -11.966 1.00 23.13 H new ATOM 0 HA ALA A 36 4.452 9.772 -9.922 1.00 52.51 H new ATOM 0 HB1 ALA A 36 3.106 11.386 -8.631 1.00 75.14 H new ATOM 0 HB2 ALA A 36 4.481 12.178 -9.438 1.00 75.14 H new ATOM 0 HB3 ALA A 36 2.841 12.340 -10.110 1.00 75.14 H new ATOM 502 N GLN A 37 2.231 8.669 -9.822 1.00 62.50 N ATOM 503 CA GLN A 37 1.058 7.823 -9.904 1.00 40.22 C ATOM 504 C GLN A 37 -0.106 8.476 -9.167 1.00 32.41 C ATOM 505 O GLN A 37 -1.224 8.535 -9.662 1.00 5.11 O ATOM 506 CB GLN A 37 1.368 6.461 -9.272 1.00 0.04 C ATOM 507 CG GLN A 37 2.564 5.730 -9.878 1.00 25.30 C ATOM 508 CD GLN A 37 2.380 5.385 -11.334 1.00 74.14 C ATOM 509 OE1 GLN A 37 2.732 6.150 -12.215 1.00 74.12 O ATOM 510 NE2 GLN A 37 1.827 4.241 -11.585 1.00 25.24 N ATOM 0 H GLN A 37 2.884 8.396 -9.088 1.00 62.50 H new ATOM 0 HA GLN A 37 0.785 7.687 -10.950 1.00 40.22 H new ATOM 0 HB2 GLN A 37 1.549 6.604 -8.207 1.00 0.04 H new ATOM 0 HB3 GLN A 37 0.487 5.825 -9.363 1.00 0.04 H new ATOM 0 HG2 GLN A 37 3.453 6.351 -9.769 1.00 25.30 H new ATOM 0 HG3 GLN A 37 2.744 4.814 -9.315 1.00 25.30 H new ATOM 0 HE21 GLN A 37 1.547 3.630 -10.817 1.00 25.24 H new ATOM 0 HE22 GLN A 37 1.671 3.951 -12.550 1.00 25.24 H new ATOM 519 N PHE A 38 0.175 8.969 -7.994 1.00 11.20 N ATOM 520 CA PHE A 38 -0.800 9.633 -7.172 1.00 34.41 C ATOM 521 C PHE A 38 -0.379 11.072 -6.993 1.00 72.40 C ATOM 522 O PHE A 38 0.765 11.352 -6.642 1.00 22.32 O ATOM 523 CB PHE A 38 -0.931 8.920 -5.816 1.00 12.21 C ATOM 524 CG PHE A 38 -1.834 9.607 -4.817 1.00 74.55 C ATOM 525 CD1 PHE A 38 -3.210 9.552 -4.941 1.00 63.04 C ATOM 526 CD2 PHE A 38 -1.294 10.306 -3.752 1.00 34.14 C ATOM 527 CE1 PHE A 38 -4.024 10.181 -4.018 1.00 41.04 C ATOM 528 CE2 PHE A 38 -2.091 10.930 -2.833 1.00 24.04 C ATOM 529 CZ PHE A 38 -3.463 10.873 -2.961 1.00 10.44 C ATOM 0 H PHE A 38 1.103 8.921 -7.574 1.00 11.20 H new ATOM 0 HA PHE A 38 -1.778 9.602 -7.653 1.00 34.41 H new ATOM 0 HB2 PHE A 38 -1.306 7.911 -5.988 1.00 12.21 H new ATOM 0 HB3 PHE A 38 0.062 8.821 -5.377 1.00 12.21 H new ATOM 0 HD1 PHE A 38 -3.652 9.013 -5.766 1.00 63.04 H new ATOM 0 HD2 PHE A 38 -0.221 10.360 -3.644 1.00 34.14 H new ATOM 0 HE1 PHE A 38 -5.098 10.132 -4.123 1.00 41.04 H new ATOM 0 HE2 PHE A 38 -1.647 11.467 -2.008 1.00 24.04 H new ATOM 0 HZ PHE A 38 -4.096 11.367 -2.239 1.00 10.44 H new ATOM 539 N ARG A 39 -1.284 11.966 -7.253 1.00 71.34 N ATOM 540 CA ARG A 39 -1.012 13.372 -7.167 1.00 22.50 C ATOM 541 C ARG A 39 -1.581 13.947 -5.887 1.00 4.52 C ATOM 542 O ARG A 39 -2.663 13.562 -5.451 1.00 0.12 O ATOM 543 CB ARG A 39 -1.546 14.137 -8.405 1.00 61.34 C ATOM 544 CG ARG A 39 -0.717 13.974 -9.699 1.00 21.31 C ATOM 545 CD ARG A 39 -0.669 12.544 -10.243 1.00 24.52 C ATOM 546 NE ARG A 39 -1.979 12.064 -10.714 1.00 32.35 N ATOM 547 CZ ARG A 39 -2.149 11.095 -11.631 1.00 71.54 C ATOM 548 NH1 ARG A 39 -1.104 10.429 -12.108 1.00 32.25 N ATOM 549 NH2 ARG A 39 -3.376 10.784 -12.048 1.00 40.23 N ATOM 0 H ARG A 39 -2.239 11.741 -7.533 1.00 71.34 H new ATOM 0 HA ARG A 39 0.070 13.499 -7.151 1.00 22.50 H new ATOM 0 HB2 ARG A 39 -2.565 13.805 -8.603 1.00 61.34 H new ATOM 0 HB3 ARG A 39 -1.599 15.198 -8.160 1.00 61.34 H new ATOM 0 HG2 ARG A 39 -1.131 14.628 -10.466 1.00 21.31 H new ATOM 0 HG3 ARG A 39 0.302 14.312 -9.508 1.00 21.31 H new ATOM 0 HD2 ARG A 39 0.046 12.497 -11.065 1.00 24.52 H new ATOM 0 HD3 ARG A 39 -0.302 11.876 -9.463 1.00 24.52 H new ATOM 0 HE ARG A 39 -2.814 12.496 -10.318 1.00 32.35 H new ATOM 0 HH11 ARG A 39 -0.164 10.651 -11.779 1.00 32.25 H new ATOM 0 HH12 ARG A 39 -1.241 9.695 -12.803 1.00 32.25 H new ATOM 0 HH21 ARG A 39 -4.184 11.281 -11.672 1.00 40.23 H new ATOM 0 HH22 ARG A 39 -3.507 10.049 -12.743 1.00 40.23 H new ATOM 563 N LEU A 40 -0.840 14.836 -5.268 1.00 4.11 N ATOM 564 CA LEU A 40 -1.285 15.473 -4.042 1.00 21.10 C ATOM 565 C LEU A 40 -2.072 16.730 -4.338 1.00 35.31 C ATOM 566 O LEU A 40 -1.794 17.425 -5.317 1.00 65.52 O ATOM 567 CB LEU A 40 -0.111 15.831 -3.127 1.00 32.11 C ATOM 568 CG LEU A 40 0.606 14.690 -2.426 1.00 60.44 C ATOM 569 CD1 LEU A 40 1.726 15.251 -1.578 1.00 64.33 C ATOM 570 CD2 LEU A 40 -0.363 13.911 -1.545 1.00 12.13 C ATOM 0 H LEU A 40 0.079 15.138 -5.592 1.00 4.11 H new ATOM 0 HA LEU A 40 -1.923 14.751 -3.532 1.00 21.10 H new ATOM 0 HB2 LEU A 40 0.624 16.376 -3.720 1.00 32.11 H new ATOM 0 HB3 LEU A 40 -0.477 16.518 -2.364 1.00 32.11 H new ATOM 0 HG LEU A 40 1.013 14.013 -3.177 1.00 60.44 H new ATOM 0 HD11 LEU A 40 2.243 14.435 -1.073 1.00 64.33 H new ATOM 0 HD12 LEU A 40 2.429 15.789 -2.214 1.00 64.33 H new ATOM 0 HD13 LEU A 40 1.313 15.934 -0.835 1.00 64.33 H new ATOM 0 HD21 LEU A 40 0.168 13.098 -1.051 1.00 12.13 H new ATOM 0 HD22 LEU A 40 -0.787 14.577 -0.793 1.00 12.13 H new ATOM 0 HD23 LEU A 40 -1.164 13.501 -2.160 1.00 12.13 H new ATOM 582 N PRO A 41 -3.055 17.053 -3.492 1.00 54.12 N ATOM 583 CA PRO A 41 -3.842 18.276 -3.619 1.00 63.23 C ATOM 584 C PRO A 41 -3.143 19.461 -2.916 1.00 51.13 C ATOM 585 O PRO A 41 -3.699 20.562 -2.786 1.00 4.12 O ATOM 586 CB PRO A 41 -5.144 17.908 -2.911 1.00 30.33 C ATOM 587 CG PRO A 41 -4.735 16.949 -1.838 1.00 35.32 C ATOM 588 CD PRO A 41 -3.517 16.223 -2.346 1.00 44.32 C ATOM 0 HA PRO A 41 -3.985 18.596 -4.651 1.00 63.23 H new ATOM 0 HB2 PRO A 41 -5.629 18.789 -2.491 1.00 30.33 H new ATOM 0 HB3 PRO A 41 -5.854 17.452 -3.600 1.00 30.33 H new ATOM 0 HG2 PRO A 41 -4.512 17.478 -0.911 1.00 35.32 H new ATOM 0 HG3 PRO A 41 -5.540 16.248 -1.619 1.00 35.32 H new ATOM 0 HD2 PRO A 41 -2.750 16.143 -1.576 1.00 44.32 H new ATOM 0 HD3 PRO A 41 -3.760 15.208 -2.660 1.00 44.32 H new ATOM 596 N ASP A 42 -1.918 19.216 -2.490 1.00 1.24 N ATOM 597 CA ASP A 42 -1.079 20.192 -1.814 1.00 62.42 C ATOM 598 C ASP A 42 0.128 20.463 -2.662 1.00 2.34 C ATOM 599 O ASP A 42 0.437 19.661 -3.560 1.00 10.33 O ATOM 600 CB ASP A 42 -0.656 19.689 -0.429 1.00 32.32 C ATOM 601 CG ASP A 42 -1.785 19.733 0.567 1.00 41.13 C ATOM 602 OD1 ASP A 42 -2.045 20.827 1.137 1.00 20.05 O ATOM 603 OD2 ASP A 42 -2.451 18.707 0.786 1.00 10.12 O ATOM 0 H ASP A 42 -1.466 18.309 -2.607 1.00 1.24 H new ATOM 0 HA ASP A 42 -1.645 21.112 -1.671 1.00 62.42 H new ATOM 0 HB2 ASP A 42 -0.289 18.666 -0.513 1.00 32.32 H new ATOM 0 HB3 ASP A 42 0.172 20.295 -0.062 1.00 32.32 H new ATOM 608 N THR A 43 0.791 21.570 -2.440 1.00 5.14 N ATOM 609 CA THR A 43 1.953 21.906 -3.229 1.00 4.44 C ATOM 610 C THR A 43 3.227 21.832 -2.364 1.00 44.04 C ATOM 611 O THR A 43 3.167 21.470 -1.185 1.00 70.41 O ATOM 612 CB THR A 43 1.813 23.292 -3.948 1.00 73.23 C ATOM 613 OG1 THR A 43 2.914 23.489 -4.855 1.00 11.43 O ATOM 614 CG2 THR A 43 1.775 24.438 -2.946 1.00 63.44 C ATOM 0 H THR A 43 0.548 22.253 -1.722 1.00 5.14 H new ATOM 0 HA THR A 43 2.036 21.166 -4.025 1.00 4.44 H new ATOM 0 HB THR A 43 0.873 23.286 -4.500 1.00 73.23 H new ATOM 0 HG1 THR A 43 2.819 24.356 -5.302 1.00 11.43 H new ATOM 0 HG21 THR A 43 1.677 25.384 -3.479 1.00 63.44 H new ATOM 0 HG22 THR A 43 0.924 24.309 -2.277 1.00 63.44 H new ATOM 0 HG23 THR A 43 2.696 24.443 -2.364 1.00 63.44 H new ATOM 622 N GLY A 44 4.366 22.161 -2.956 1.00 22.34 N ATOM 623 CA GLY A 44 5.657 22.021 -2.291 1.00 12.20 C ATOM 624 C GLY A 44 6.258 20.677 -2.628 1.00 73.40 C ATOM 625 O GLY A 44 7.441 20.416 -2.419 1.00 51.32 O ATOM 0 H GLY A 44 4.424 22.530 -3.905 1.00 22.34 H new ATOM 0 HA2 GLY A 44 6.328 22.820 -2.606 1.00 12.20 H new ATOM 0 HA3 GLY A 44 5.534 22.115 -1.212 1.00 12.20 H new ATOM 629 N VAL A 45 5.430 19.869 -3.204 1.00 64.52 N ATOM 630 CA VAL A 45 5.717 18.515 -3.574 1.00 31.41 C ATOM 631 C VAL A 45 6.373 18.474 -4.981 1.00 25.41 C ATOM 632 O VAL A 45 6.154 19.376 -5.803 1.00 64.20 O ATOM 633 CB VAL A 45 4.376 17.712 -3.538 1.00 2.12 C ATOM 634 CG1 VAL A 45 3.358 18.288 -4.492 1.00 32.41 C ATOM 635 CG2 VAL A 45 4.571 16.249 -3.801 1.00 71.20 C ATOM 0 H VAL A 45 4.479 20.149 -3.444 1.00 64.52 H new ATOM 0 HA VAL A 45 6.425 18.064 -2.878 1.00 31.41 H new ATOM 0 HB VAL A 45 3.993 17.811 -2.522 1.00 2.12 H new ATOM 0 HG11 VAL A 45 2.439 17.704 -4.440 1.00 32.41 H new ATOM 0 HG12 VAL A 45 3.147 19.322 -4.218 1.00 32.41 H new ATOM 0 HG13 VAL A 45 3.752 18.255 -5.508 1.00 32.41 H new ATOM 0 HG21 VAL A 45 3.607 15.741 -3.764 1.00 71.20 H new ATOM 0 HG22 VAL A 45 5.015 16.113 -4.787 1.00 71.20 H new ATOM 0 HG23 VAL A 45 5.232 15.828 -3.044 1.00 71.20 H new ATOM 645 N SER A 46 7.221 17.493 -5.214 1.00 11.52 N ATOM 646 CA SER A 46 7.877 17.305 -6.506 1.00 44.15 C ATOM 647 C SER A 46 7.078 16.241 -7.297 1.00 55.31 C ATOM 648 O SER A 46 6.006 15.832 -6.843 1.00 1.51 O ATOM 649 CB SER A 46 9.339 16.844 -6.265 1.00 72.52 C ATOM 650 OG SER A 46 10.088 16.740 -7.475 1.00 24.55 O ATOM 0 H SER A 46 7.480 16.797 -4.514 1.00 11.52 H new ATOM 0 HA SER A 46 7.902 18.232 -7.079 1.00 44.15 H new ATOM 0 HB2 SER A 46 9.833 17.549 -5.596 1.00 72.52 H new ATOM 0 HB3 SER A 46 9.333 15.877 -5.762 1.00 72.52 H new ATOM 0 HG SER A 46 11.001 16.449 -7.271 1.00 24.55 H new ATOM 656 N ARG A 47 7.561 15.818 -8.472 1.00 34.41 N ATOM 657 CA ARG A 47 6.886 14.742 -9.208 1.00 1.43 C ATOM 658 C ARG A 47 7.181 13.431 -8.494 1.00 31.51 C ATOM 659 O ARG A 47 6.339 12.560 -8.380 1.00 71.44 O ATOM 660 CB ARG A 47 7.321 14.673 -10.692 1.00 54.23 C ATOM 661 CG ARG A 47 8.765 14.264 -10.918 1.00 10.13 C ATOM 662 CD ARG A 47 9.127 14.217 -12.380 1.00 12.42 C ATOM 663 NE ARG A 47 9.183 15.547 -12.989 1.00 41.42 N ATOM 664 CZ ARG A 47 10.117 15.945 -13.875 1.00 41.15 C ATOM 665 NH1 ARG A 47 11.128 15.130 -14.202 1.00 43.44 N ATOM 666 NH2 ARG A 47 10.057 17.165 -14.405 1.00 31.51 N ATOM 0 H ARG A 47 8.395 16.193 -8.924 1.00 34.41 H new ATOM 0 HA ARG A 47 5.814 14.941 -9.222 1.00 1.43 H new ATOM 0 HB2 ARG A 47 6.673 13.967 -11.213 1.00 54.23 H new ATOM 0 HB3 ARG A 47 7.160 15.650 -11.148 1.00 54.23 H new ATOM 0 HG2 ARG A 47 9.423 14.966 -10.406 1.00 10.13 H new ATOM 0 HG3 ARG A 47 8.936 13.284 -10.472 1.00 10.13 H new ATOM 0 HD2 ARG A 47 10.094 13.728 -12.496 1.00 12.42 H new ATOM 0 HD3 ARG A 47 8.396 13.608 -12.912 1.00 12.42 H new ATOM 0 HE ARG A 47 8.464 16.220 -12.724 1.00 41.42 H new ATOM 0 HH11 ARG A 47 11.193 14.204 -13.780 1.00 43.44 H new ATOM 0 HH12 ARG A 47 11.833 15.435 -14.873 1.00 43.44 H new ATOM 0 HH21 ARG A 47 9.303 17.799 -14.140 1.00 31.51 H new ATOM 0 HH22 ARG A 47 10.765 17.465 -15.076 1.00 31.51 H new ATOM 680 N ARG A 48 8.395 13.327 -8.005 1.00 43.41 N ATOM 681 CA ARG A 48 8.819 12.232 -7.203 1.00 3.12 C ATOM 682 C ARG A 48 9.138 12.766 -5.847 1.00 13.22 C ATOM 683 O ARG A 48 10.193 13.345 -5.631 1.00 14.53 O ATOM 684 CB ARG A 48 10.021 11.496 -7.802 1.00 74.41 C ATOM 685 CG ARG A 48 9.678 10.557 -8.953 1.00 52.23 C ATOM 686 CD ARG A 48 10.928 9.850 -9.484 1.00 13.15 C ATOM 687 NE ARG A 48 11.719 9.223 -8.402 1.00 75.34 N ATOM 688 CZ ARG A 48 11.473 8.037 -7.825 1.00 21.22 C ATOM 689 NH1 ARG A 48 10.517 7.243 -8.290 1.00 15.13 N ATOM 690 NH2 ARG A 48 12.229 7.629 -6.820 1.00 62.52 N ATOM 0 H ARG A 48 9.122 14.024 -8.165 1.00 43.41 H new ATOM 0 HA ARG A 48 8.019 11.493 -7.150 1.00 3.12 H new ATOM 0 HB2 ARG A 48 10.744 12.232 -8.154 1.00 74.41 H new ATOM 0 HB3 ARG A 48 10.509 10.922 -7.014 1.00 74.41 H new ATOM 0 HG2 ARG A 48 8.953 9.816 -8.617 1.00 52.23 H new ATOM 0 HG3 ARG A 48 9.207 11.121 -9.758 1.00 52.23 H new ATOM 0 HD2 ARG A 48 10.633 9.087 -10.205 1.00 13.15 H new ATOM 0 HD3 ARG A 48 11.551 10.568 -10.017 1.00 13.15 H new ATOM 0 HE ARG A 48 12.529 9.742 -8.062 1.00 75.34 H new ATOM 0 HH11 ARG A 48 9.960 7.532 -9.094 1.00 15.13 H new ATOM 0 HH12 ARG A 48 10.339 6.343 -7.843 1.00 15.13 H new ATOM 0 HH21 ARG A 48 12.995 8.215 -6.487 1.00 62.52 H new ATOM 0 HH22 ARG A 48 12.047 6.728 -6.378 1.00 62.52 H new ATOM 704 N HIS A 49 8.166 12.699 -4.995 1.00 14.24 N ATOM 705 CA HIS A 49 8.284 13.169 -3.632 1.00 74.34 C ATOM 706 C HIS A 49 8.400 11.989 -2.701 1.00 23.54 C ATOM 707 O HIS A 49 9.094 12.028 -1.696 1.00 73.12 O ATOM 708 CB HIS A 49 7.069 14.026 -3.273 1.00 13.15 C ATOM 709 CG HIS A 49 7.071 14.580 -1.876 1.00 33.52 C ATOM 710 ND1 HIS A 49 7.408 15.882 -1.621 1.00 53.34 N ATOM 711 CD2 HIS A 49 6.767 13.961 -0.712 1.00 41.32 C ATOM 712 CE1 HIS A 49 7.304 16.014 -0.310 1.00 71.30 C ATOM 713 NE2 HIS A 49 6.924 14.874 0.279 1.00 73.31 N ATOM 0 H HIS A 49 7.249 12.312 -5.220 1.00 14.24 H new ATOM 0 HA HIS A 49 9.179 13.782 -3.531 1.00 74.34 H new ATOM 0 HB2 HIS A 49 7.009 14.856 -3.977 1.00 13.15 H new ATOM 0 HB3 HIS A 49 6.168 13.427 -3.409 1.00 13.15 H new ATOM 0 HD1 HIS A 49 7.680 16.596 -2.297 1.00 53.34 H new ATOM 0 HD2 HIS A 49 6.457 12.933 -0.594 1.00 41.32 H new ATOM 0 HE1 HIS A 49 7.502 16.932 0.222 1.00 71.30 H new ATOM 721 N LEU A 50 7.681 10.964 -3.014 1.00 70.22 N ATOM 722 CA LEU A 50 7.697 9.777 -2.233 1.00 63.15 C ATOM 723 C LEU A 50 7.152 8.660 -3.063 1.00 42.31 C ATOM 724 O LEU A 50 6.406 8.905 -4.002 1.00 54.55 O ATOM 725 CB LEU A 50 6.893 10.022 -0.917 1.00 24.10 C ATOM 726 CG LEU A 50 6.640 8.840 0.021 1.00 2.44 C ATOM 727 CD1 LEU A 50 6.472 9.359 1.429 1.00 65.11 C ATOM 728 CD2 LEU A 50 5.362 8.116 -0.374 1.00 30.12 C ATOM 0 H LEU A 50 7.062 10.928 -3.824 1.00 70.22 H new ATOM 0 HA LEU A 50 8.708 9.499 -1.935 1.00 63.15 H new ATOM 0 HB2 LEU A 50 7.417 10.789 -0.348 1.00 24.10 H new ATOM 0 HB3 LEU A 50 5.924 10.437 -1.194 1.00 24.10 H new ATOM 0 HG LEU A 50 7.484 8.153 -0.043 1.00 2.44 H new ATOM 0 HD11 LEU A 50 6.291 8.524 2.106 1.00 65.11 H new ATOM 0 HD12 LEU A 50 7.378 9.883 1.734 1.00 65.11 H new ATOM 0 HD13 LEU A 50 5.626 10.045 1.465 1.00 65.11 H new ATOM 0 HD21 LEU A 50 5.195 7.278 0.302 1.00 30.12 H new ATOM 0 HD22 LEU A 50 4.520 8.805 -0.313 1.00 30.12 H new ATOM 0 HD23 LEU A 50 5.454 7.746 -1.395 1.00 30.12 H new ATOM 740 N GLU A 51 7.563 7.467 -2.787 1.00 40.21 N ATOM 741 CA GLU A 51 7.041 6.328 -3.481 1.00 25.41 C ATOM 742 C GLU A 51 6.754 5.222 -2.504 1.00 32.24 C ATOM 743 O GLU A 51 7.495 5.013 -1.539 1.00 71.30 O ATOM 744 CB GLU A 51 7.983 5.848 -4.593 1.00 62.15 C ATOM 745 CG GLU A 51 9.360 5.431 -4.113 1.00 11.05 C ATOM 746 CD GLU A 51 10.252 4.987 -5.239 1.00 54.44 C ATOM 747 OE1 GLU A 51 9.884 4.062 -5.983 1.00 0.24 O ATOM 748 OE2 GLU A 51 11.331 5.578 -5.432 1.00 13.03 O ATOM 0 H GLU A 51 8.265 7.251 -2.080 1.00 40.21 H new ATOM 0 HA GLU A 51 6.111 6.627 -3.965 1.00 25.41 H new ATOM 0 HB2 GLU A 51 7.520 5.005 -5.106 1.00 62.15 H new ATOM 0 HB3 GLU A 51 8.094 6.646 -5.327 1.00 62.15 H new ATOM 0 HG2 GLU A 51 9.828 6.266 -3.591 1.00 11.05 H new ATOM 0 HG3 GLU A 51 9.260 4.620 -3.392 1.00 11.05 H new ATOM 755 N ILE A 52 5.661 4.568 -2.697 1.00 41.44 N ATOM 756 CA ILE A 52 5.329 3.451 -1.886 1.00 43.24 C ATOM 757 C ILE A 52 5.422 2.202 -2.714 1.00 53.34 C ATOM 758 O ILE A 52 4.653 2.020 -3.658 1.00 74.14 O ATOM 759 CB ILE A 52 3.915 3.549 -1.279 1.00 55.42 C ATOM 760 CG1 ILE A 52 3.781 4.827 -0.435 1.00 61.35 C ATOM 761 CG2 ILE A 52 3.660 2.308 -0.429 1.00 55.54 C ATOM 762 CD1 ILE A 52 2.398 5.059 0.143 1.00 12.33 C ATOM 0 H ILE A 52 4.976 4.792 -3.418 1.00 41.44 H new ATOM 0 HA ILE A 52 6.036 3.430 -1.057 1.00 43.24 H new ATOM 0 HB ILE A 52 3.173 3.600 -2.076 1.00 55.42 H new ATOM 0 HG12 ILE A 52 4.500 4.784 0.383 1.00 61.35 H new ATOM 0 HG13 ILE A 52 4.051 5.684 -1.052 1.00 61.35 H new ATOM 0 HG21 ILE A 52 2.663 2.364 0.007 1.00 55.54 H new ATOM 0 HG22 ILE A 52 3.733 1.418 -1.054 1.00 55.54 H new ATOM 0 HG23 ILE A 52 4.402 2.254 0.368 1.00 55.54 H new ATOM 0 HD11 ILE A 52 2.396 5.982 0.723 1.00 12.33 H new ATOM 0 HD12 ILE A 52 1.674 5.138 -0.668 1.00 12.33 H new ATOM 0 HD13 ILE A 52 2.129 4.224 0.790 1.00 12.33 H new ATOM 774 N ARG A 53 6.337 1.354 -2.381 1.00 32.22 N ATOM 775 CA ARG A 53 6.474 0.116 -3.075 1.00 21.03 C ATOM 776 C ARG A 53 5.621 -0.909 -2.376 1.00 25.13 C ATOM 777 O ARG A 53 5.900 -1.309 -1.238 1.00 33.33 O ATOM 778 CB ARG A 53 7.930 -0.351 -3.145 1.00 14.22 C ATOM 779 CG ARG A 53 8.057 -1.746 -3.714 1.00 30.43 C ATOM 780 CD ARG A 53 9.465 -2.272 -3.673 1.00 40.21 C ATOM 781 NE ARG A 53 9.496 -3.705 -3.995 1.00 63.20 N ATOM 782 CZ ARG A 53 10.585 -4.427 -4.241 1.00 64.41 C ATOM 783 NH1 ARG A 53 11.783 -3.855 -4.265 1.00 2.21 N ATOM 784 NH2 ARG A 53 10.465 -5.728 -4.468 1.00 74.02 N ATOM 0 H ARG A 53 7.007 1.497 -1.625 1.00 32.22 H new ATOM 0 HA ARG A 53 6.145 0.250 -4.106 1.00 21.03 H new ATOM 0 HB2 ARG A 53 8.503 0.343 -3.759 1.00 14.22 H new ATOM 0 HB3 ARG A 53 8.366 -0.327 -2.146 1.00 14.22 H new ATOM 0 HG2 ARG A 53 7.407 -2.420 -3.156 1.00 30.43 H new ATOM 0 HG3 ARG A 53 7.705 -1.745 -4.746 1.00 30.43 H new ATOM 0 HD2 ARG A 53 10.084 -1.722 -4.382 1.00 40.21 H new ATOM 0 HD3 ARG A 53 9.891 -2.108 -2.683 1.00 40.21 H new ATOM 0 HE ARG A 53 8.600 -4.191 -4.033 1.00 63.20 H new ATOM 0 HH11 ARG A 53 11.874 -2.854 -4.094 1.00 2.21 H new ATOM 0 HH12 ARG A 53 12.613 -4.417 -4.455 1.00 2.21 H new ATOM 0 HH21 ARG A 53 9.544 -6.165 -4.453 1.00 74.02 H new ATOM 0 HH22 ARG A 53 11.294 -6.291 -4.658 1.00 74.02 H new ATOM 798 N TRP A 54 4.571 -1.288 -3.021 1.00 34.02 N ATOM 799 CA TRP A 54 3.666 -2.218 -2.464 1.00 10.44 C ATOM 800 C TRP A 54 3.778 -3.564 -3.154 1.00 12.12 C ATOM 801 O TRP A 54 3.532 -3.693 -4.365 1.00 24.12 O ATOM 802 CB TRP A 54 2.222 -1.672 -2.504 1.00 71.53 C ATOM 803 CG TRP A 54 1.162 -2.670 -2.087 1.00 14.22 C ATOM 804 CD1 TRP A 54 0.109 -3.096 -2.833 1.00 50.34 C ATOM 805 CD2 TRP A 54 1.075 -3.382 -0.842 1.00 72.14 C ATOM 806 NE1 TRP A 54 -0.629 -4.013 -2.128 1.00 11.53 N ATOM 807 CE2 TRP A 54 -0.053 -4.208 -0.911 1.00 51.41 C ATOM 808 CE3 TRP A 54 1.836 -3.400 0.314 1.00 33.22 C ATOM 809 CZ2 TRP A 54 -0.432 -5.038 0.135 1.00 4.20 C ATOM 810 CZ3 TRP A 54 1.458 -4.225 1.353 1.00 23.54 C ATOM 811 CH2 TRP A 54 0.339 -5.033 1.256 1.00 4.25 C ATOM 0 H TRP A 54 4.320 -0.957 -3.953 1.00 34.02 H new ATOM 0 HA TRP A 54 3.930 -2.367 -1.417 1.00 10.44 H new ATOM 0 HB2 TRP A 54 2.158 -0.800 -1.853 1.00 71.53 H new ATOM 0 HB3 TRP A 54 2.004 -1.331 -3.516 1.00 71.53 H new ATOM 0 HD1 TRP A 54 -0.114 -2.761 -3.835 1.00 50.34 H new ATOM 0 HE1 TRP A 54 -1.475 -4.475 -2.463 1.00 11.53 H new ATOM 0 HE3 TRP A 54 2.714 -2.777 0.401 1.00 33.22 H new ATOM 0 HZ2 TRP A 54 -1.308 -5.666 0.062 1.00 4.20 H new ATOM 0 HZ3 TRP A 54 2.046 -4.240 2.259 1.00 23.54 H new ATOM 0 HH2 TRP A 54 0.073 -5.671 2.085 1.00 4.25 H new ATOM 822 N ASP A 55 4.207 -4.530 -2.398 1.00 73.45 N ATOM 823 CA ASP A 55 4.237 -5.914 -2.811 1.00 0.11 C ATOM 824 C ASP A 55 3.453 -6.684 -1.792 1.00 62.13 C ATOM 825 O ASP A 55 3.142 -6.140 -0.727 1.00 44.41 O ATOM 826 CB ASP A 55 5.668 -6.486 -2.964 1.00 22.52 C ATOM 827 CG ASP A 55 6.366 -6.043 -4.241 1.00 53.44 C ATOM 828 OD1 ASP A 55 6.032 -6.554 -5.324 1.00 1.12 O ATOM 829 OD2 ASP A 55 7.263 -5.169 -4.199 1.00 44.23 O ATOM 0 H ASP A 55 4.556 -4.380 -1.451 1.00 73.45 H new ATOM 0 HA ASP A 55 3.801 -6.000 -3.806 1.00 0.11 H new ATOM 0 HB2 ASP A 55 6.267 -6.179 -2.107 1.00 22.52 H new ATOM 0 HB3 ASP A 55 5.619 -7.575 -2.945 1.00 22.52 H new ATOM 834 N GLY A 56 3.132 -7.914 -2.074 1.00 54.43 N ATOM 835 CA GLY A 56 2.278 -8.684 -1.195 1.00 51.43 C ATOM 836 C GLY A 56 2.955 -9.166 0.078 1.00 4.11 C ATOM 837 O GLY A 56 3.282 -10.360 0.204 1.00 10.34 O ATOM 0 H GLY A 56 3.446 -8.413 -2.907 1.00 54.43 H new ATOM 0 HA2 GLY A 56 1.414 -8.077 -0.925 1.00 51.43 H new ATOM 0 HA3 GLY A 56 1.901 -9.549 -1.741 1.00 51.43 H new ATOM 841 N GLN A 57 3.195 -8.242 0.987 1.00 12.12 N ATOM 842 CA GLN A 57 3.716 -8.526 2.307 1.00 24.30 C ATOM 843 C GLN A 57 3.592 -7.272 3.162 1.00 61.41 C ATOM 844 O GLN A 57 2.746 -7.191 4.044 1.00 75.22 O ATOM 845 CB GLN A 57 5.183 -8.986 2.283 1.00 34.30 C ATOM 846 CG GLN A 57 5.644 -9.524 3.627 1.00 71.52 C ATOM 847 CD GLN A 57 7.118 -9.813 3.703 1.00 71.43 C ATOM 848 OE1 GLN A 57 7.767 -10.135 2.706 1.00 24.41 O ATOM 849 NE2 GLN A 57 7.649 -9.729 4.880 1.00 40.04 N ATOM 0 H GLN A 57 3.029 -7.249 0.823 1.00 12.12 H new ATOM 0 HA GLN A 57 3.132 -9.347 2.724 1.00 24.30 H new ATOM 0 HB2 GLN A 57 5.306 -9.759 1.524 1.00 34.30 H new ATOM 0 HB3 GLN A 57 5.818 -8.149 1.992 1.00 34.30 H new ATOM 0 HG2 GLN A 57 5.386 -8.802 4.402 1.00 71.52 H new ATOM 0 HG3 GLN A 57 5.094 -10.439 3.847 1.00 71.52 H new ATOM 0 HE21 GLN A 57 7.076 -9.459 5.680 1.00 40.04 H new ATOM 0 HE22 GLN A 57 8.640 -9.933 5.008 1.00 40.04 H new ATOM 858 N VAL A 58 4.413 -6.287 2.860 1.00 73.14 N ATOM 859 CA VAL A 58 4.446 -5.027 3.582 1.00 42.44 C ATOM 860 C VAL A 58 4.600 -3.909 2.583 1.00 50.02 C ATOM 861 O VAL A 58 5.058 -4.142 1.457 1.00 1.02 O ATOM 862 CB VAL A 58 5.616 -4.943 4.629 1.00 24.14 C ATOM 863 CG1 VAL A 58 5.421 -5.933 5.769 1.00 11.42 C ATOM 864 CG2 VAL A 58 6.977 -5.162 3.965 1.00 73.53 C ATOM 0 H VAL A 58 5.086 -6.338 2.096 1.00 73.14 H new ATOM 0 HA VAL A 58 3.514 -4.945 4.141 1.00 42.44 H new ATOM 0 HB VAL A 58 5.595 -3.936 5.046 1.00 24.14 H new ATOM 0 HG11 VAL A 58 6.249 -5.846 6.472 1.00 11.42 H new ATOM 0 HG12 VAL A 58 4.484 -5.717 6.283 1.00 11.42 H new ATOM 0 HG13 VAL A 58 5.390 -6.947 5.369 1.00 11.42 H new ATOM 0 HG21 VAL A 58 7.763 -5.097 4.717 1.00 73.53 H new ATOM 0 HG22 VAL A 58 7.000 -6.147 3.499 1.00 73.53 H new ATOM 0 HG23 VAL A 58 7.138 -4.398 3.205 1.00 73.53 H new ATOM 874 N ALA A 59 4.199 -2.725 2.956 1.00 2.23 N ATOM 875 CA ALA A 59 4.313 -1.592 2.077 1.00 51.41 C ATOM 876 C ALA A 59 5.551 -0.815 2.421 1.00 63.04 C ATOM 877 O ALA A 59 5.708 -0.323 3.551 1.00 22.34 O ATOM 878 CB ALA A 59 3.074 -0.721 2.145 1.00 63.32 C ATOM 0 H ALA A 59 3.789 -2.518 3.867 1.00 2.23 H new ATOM 0 HA ALA A 59 4.397 -1.945 1.049 1.00 51.41 H new ATOM 0 HB1 ALA A 59 3.188 0.128 1.470 1.00 63.32 H new ATOM 0 HB2 ALA A 59 2.202 -1.305 1.849 1.00 63.32 H new ATOM 0 HB3 ALA A 59 2.939 -0.359 3.164 1.00 63.32 H new ATOM 884 N LEU A 60 6.425 -0.724 1.474 1.00 62.33 N ATOM 885 CA LEU A 60 7.678 -0.064 1.645 1.00 10.23 C ATOM 886 C LEU A 60 7.478 1.417 1.343 1.00 71.35 C ATOM 887 O LEU A 60 7.213 1.804 0.204 1.00 41.43 O ATOM 888 CB LEU A 60 8.704 -0.727 0.699 1.00 23.23 C ATOM 889 CG LEU A 60 10.210 -0.401 0.842 1.00 15.00 C ATOM 890 CD1 LEU A 60 10.993 -1.312 -0.079 1.00 41.43 C ATOM 891 CD2 LEU A 60 10.526 1.043 0.487 1.00 61.32 C ATOM 0 H LEU A 60 6.286 -1.114 0.542 1.00 62.33 H new ATOM 0 HA LEU A 60 8.056 -0.151 2.664 1.00 10.23 H new ATOM 0 HB2 LEU A 60 8.594 -1.806 0.806 1.00 23.23 H new ATOM 0 HB3 LEU A 60 8.413 -0.477 -0.321 1.00 23.23 H new ATOM 0 HG LEU A 60 10.487 -0.554 1.885 1.00 15.00 H new ATOM 0 HD11 LEU A 60 12.057 -1.093 0.011 1.00 41.43 H new ATOM 0 HD12 LEU A 60 10.811 -2.351 0.196 1.00 41.43 H new ATOM 0 HD13 LEU A 60 10.675 -1.149 -1.109 1.00 41.43 H new ATOM 0 HD21 LEU A 60 11.595 1.221 0.604 1.00 61.32 H new ATOM 0 HD22 LEU A 60 10.237 1.235 -0.546 1.00 61.32 H new ATOM 0 HD23 LEU A 60 9.973 1.710 1.149 1.00 61.32 H new ATOM 903 N LEU A 61 7.562 2.206 2.358 1.00 42.42 N ATOM 904 CA LEU A 61 7.412 3.631 2.268 1.00 0.00 C ATOM 905 C LEU A 61 8.790 4.216 2.028 1.00 13.33 C ATOM 906 O LEU A 61 9.671 4.083 2.869 1.00 23.33 O ATOM 907 CB LEU A 61 6.784 4.132 3.609 1.00 24.25 C ATOM 908 CG LEU A 61 6.412 5.633 3.801 1.00 23.11 C ATOM 909 CD1 LEU A 61 7.617 6.567 3.831 1.00 0.10 C ATOM 910 CD2 LEU A 61 5.409 6.069 2.753 1.00 54.15 C ATOM 0 H LEU A 61 7.742 1.875 3.306 1.00 42.42 H new ATOM 0 HA LEU A 61 6.757 3.937 1.452 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.876 3.553 3.774 1.00 24.25 H new ATOM 0 HB3 LEU A 61 7.479 3.869 4.407 1.00 24.25 H new ATOM 0 HG LEU A 61 5.957 5.711 4.788 1.00 23.11 H new ATOM 0 HD11 LEU A 61 7.278 7.594 3.968 1.00 0.10 H new ATOM 0 HD12 LEU A 61 8.273 6.289 4.656 1.00 0.10 H new ATOM 0 HD13 LEU A 61 8.163 6.487 2.891 1.00 0.10 H new ATOM 0 HD21 LEU A 61 5.160 7.120 2.902 1.00 54.15 H new ATOM 0 HD22 LEU A 61 5.839 5.935 1.760 1.00 54.15 H new ATOM 0 HD23 LEU A 61 4.505 5.466 2.841 1.00 54.15 H new ATOM 922 N ALA A 62 8.990 4.809 0.881 1.00 50.53 N ATOM 923 CA ALA A 62 10.258 5.407 0.562 1.00 12.52 C ATOM 924 C ALA A 62 10.098 6.892 0.294 1.00 34.31 C ATOM 925 O ALA A 62 9.410 7.298 -0.654 1.00 53.42 O ATOM 926 CB ALA A 62 10.892 4.714 -0.633 1.00 45.41 C ATOM 0 H ALA A 62 8.285 4.891 0.148 1.00 50.53 H new ATOM 0 HA ALA A 62 10.918 5.283 1.420 1.00 12.52 H new ATOM 0 HB1 ALA A 62 11.851 5.181 -0.858 1.00 45.41 H new ATOM 0 HB2 ALA A 62 11.047 3.660 -0.402 1.00 45.41 H new ATOM 0 HB3 ALA A 62 10.233 4.803 -1.497 1.00 45.41 H new ATOM 932 N ASP A 63 10.703 7.688 1.135 1.00 74.42 N ATOM 933 CA ASP A 63 10.680 9.137 0.987 1.00 14.02 C ATOM 934 C ASP A 63 11.665 9.549 -0.076 1.00 70.02 C ATOM 935 O ASP A 63 12.796 9.023 -0.120 1.00 1.23 O ATOM 936 CB ASP A 63 11.034 9.817 2.312 1.00 24.54 C ATOM 937 CG ASP A 63 11.284 11.310 2.168 1.00 22.31 C ATOM 938 OD1 ASP A 63 10.321 12.082 2.077 1.00 42.41 O ATOM 939 OD2 ASP A 63 12.464 11.719 2.173 1.00 50.45 O ATOM 0 H ASP A 63 11.228 7.360 1.945 1.00 74.42 H new ATOM 0 HA ASP A 63 9.676 9.446 0.695 1.00 14.02 H new ATOM 0 HB2 ASP A 63 10.224 9.657 3.023 1.00 24.54 H new ATOM 0 HB3 ASP A 63 11.923 9.344 2.730 1.00 24.54 H new ATOM 944 N LEU A 64 11.268 10.449 -0.929 1.00 74.33 N ATOM 945 CA LEU A 64 12.126 10.900 -1.984 1.00 44.33 C ATOM 946 C LEU A 64 12.076 12.436 -2.019 1.00 13.00 C ATOM 947 O LEU A 64 11.421 13.034 -2.877 1.00 65.21 O ATOM 948 CB LEU A 64 11.593 10.283 -3.316 1.00 31.14 C ATOM 949 CG LEU A 64 12.507 10.218 -4.566 1.00 71.32 C ATOM 950 CD1 LEU A 64 12.935 11.581 -5.075 1.00 61.35 C ATOM 951 CD2 LEU A 64 13.709 9.320 -4.317 1.00 22.33 C ATOM 0 H LEU A 64 10.347 10.888 -0.913 1.00 74.33 H new ATOM 0 HA LEU A 64 13.161 10.592 -1.836 1.00 44.33 H new ATOM 0 HB2 LEU A 64 11.274 9.264 -3.095 1.00 31.14 H new ATOM 0 HB3 LEU A 64 10.701 10.842 -3.597 1.00 31.14 H new ATOM 0 HG LEU A 64 11.903 9.780 -5.360 1.00 71.32 H new ATOM 0 HD11 LEU A 64 13.572 11.459 -5.951 1.00 61.35 H new ATOM 0 HD12 LEU A 64 12.053 12.161 -5.346 1.00 61.35 H new ATOM 0 HD13 LEU A 64 13.488 12.104 -4.294 1.00 61.35 H new ATOM 0 HD21 LEU A 64 14.334 9.292 -5.210 1.00 22.33 H new ATOM 0 HD22 LEU A 64 14.289 9.711 -3.481 1.00 22.33 H new ATOM 0 HD23 LEU A 64 13.368 8.312 -4.082 1.00 22.33 H new ATOM 963 N ASN A 65 12.757 13.071 -1.096 1.00 33.51 N ATOM 964 CA ASN A 65 12.819 14.522 -1.051 1.00 30.42 C ATOM 965 C ASN A 65 13.780 14.936 0.035 1.00 32.31 C ATOM 966 O ASN A 65 13.906 14.256 1.044 1.00 11.34 O ATOM 967 CB ASN A 65 11.438 15.156 -0.785 1.00 34.45 C ATOM 968 CG ASN A 65 11.412 16.616 -1.191 1.00 72.01 C ATOM 969 OD1 ASN A 65 11.732 17.504 -0.414 1.00 64.24 O ATOM 970 ND2 ASN A 65 11.053 16.873 -2.416 1.00 32.23 N ATOM 0 H ASN A 65 13.283 12.605 -0.357 1.00 33.51 H new ATOM 0 HA ASN A 65 13.159 14.876 -2.024 1.00 30.42 H new ATOM 0 HB2 ASN A 65 10.673 14.610 -1.337 1.00 34.45 H new ATOM 0 HB3 ASN A 65 11.193 15.067 0.273 1.00 34.45 H new ATOM 0 HD21 ASN A 65 11.034 17.836 -2.750 1.00 32.23 H new ATOM 0 HD22 ASN A 65 10.791 16.111 -3.041 1.00 32.23 H new ATOM 977 N SER A 66 14.476 16.017 -0.166 1.00 30.20 N ATOM 978 CA SER A 66 15.446 16.455 0.805 1.00 12.14 C ATOM 979 C SER A 66 14.928 17.628 1.672 1.00 64.11 C ATOM 980 O SER A 66 15.258 17.724 2.849 1.00 23.12 O ATOM 981 CB SER A 66 16.747 16.816 0.085 1.00 34.21 C ATOM 982 OG SER A 66 17.196 15.717 -0.724 1.00 3.44 O ATOM 0 H SER A 66 14.393 16.613 -0.990 1.00 30.20 H new ATOM 0 HA SER A 66 15.633 15.636 1.499 1.00 12.14 H new ATOM 0 HB2 SER A 66 16.592 17.696 -0.540 1.00 34.21 H new ATOM 0 HB3 SER A 66 17.514 17.075 0.815 1.00 34.21 H new ATOM 0 HG SER A 66 18.028 15.964 -1.179 1.00 3.44 H new ATOM 988 N THR A 67 14.102 18.496 1.103 1.00 4.43 N ATOM 989 CA THR A 67 13.612 19.655 1.846 1.00 30.54 C ATOM 990 C THR A 67 12.290 19.369 2.605 1.00 74.33 C ATOM 991 O THR A 67 12.106 19.809 3.730 1.00 2.15 O ATOM 992 CB THR A 67 13.509 20.938 0.947 1.00 52.24 C ATOM 993 OG1 THR A 67 12.973 22.054 1.681 1.00 11.41 O ATOM 994 CG2 THR A 67 12.665 20.692 -0.298 1.00 10.22 C ATOM 0 H THR A 67 13.760 18.425 0.145 1.00 4.43 H new ATOM 0 HA THR A 67 14.363 19.862 2.609 1.00 30.54 H new ATOM 0 HB THR A 67 14.525 21.178 0.633 1.00 52.24 H new ATOM 0 HG1 THR A 67 12.923 22.838 1.095 1.00 11.41 H new ATOM 0 HG21 THR A 67 12.619 21.604 -0.893 1.00 10.22 H new ATOM 0 HG22 THR A 67 13.114 19.895 -0.891 1.00 10.22 H new ATOM 0 HG23 THR A 67 11.657 20.400 -0.003 1.00 10.22 H new ATOM 1002 N ASN A 68 11.419 18.597 1.993 1.00 72.23 N ATOM 1003 CA ASN A 68 10.094 18.273 2.537 1.00 14.22 C ATOM 1004 C ASN A 68 10.066 16.840 3.018 1.00 14.50 C ATOM 1005 O ASN A 68 8.995 16.214 3.019 1.00 45.14 O ATOM 1006 CB ASN A 68 8.986 18.444 1.471 1.00 42.14 C ATOM 1007 CG ASN A 68 8.720 19.869 1.038 1.00 1.24 C ATOM 1008 OD1 ASN A 68 9.345 20.288 -0.035 1.00 32.12 O flip ATOM 1009 ND2 ASN A 68 7.904 20.577 1.644 1.00 1.20 N flip ATOM 0 H ASN A 68 11.603 18.164 1.088 1.00 72.23 H new ATOM 0 HA ASN A 68 9.907 18.960 3.363 1.00 14.22 H new ATOM 0 HB2 ASN A 68 9.257 17.859 0.592 1.00 42.14 H new ATOM 0 HB3 ASN A 68 8.060 18.022 1.862 1.00 42.14 H new ATOM 0 HD21 ASN A 68 7.436 20.218 2.476 1.00 1.20 H new ATOM 0 HD22 ASN A 68 7.700 21.519 1.311 1.00 1.20 H new ATOM 1016 N GLY A 69 11.240 16.337 3.429 1.00 24.31 N ATOM 1017 CA GLY A 69 11.416 14.938 3.859 1.00 4.42 C ATOM 1018 C GLY A 69 10.302 14.434 4.766 1.00 51.33 C ATOM 1019 O GLY A 69 9.988 15.046 5.802 1.00 74.22 O ATOM 0 H GLY A 69 12.097 16.889 3.473 1.00 24.31 H new ATOM 0 HA2 GLY A 69 11.472 14.300 2.977 1.00 4.42 H new ATOM 0 HA3 GLY A 69 12.368 14.844 4.381 1.00 4.42 H new ATOM 1023 N THR A 70 9.707 13.368 4.360 1.00 34.45 N ATOM 1024 CA THR A 70 8.562 12.781 4.997 1.00 31.53 C ATOM 1025 C THR A 70 8.875 12.183 6.398 1.00 31.13 C ATOM 1026 O THR A 70 9.978 11.682 6.667 1.00 64.30 O ATOM 1027 CB THR A 70 7.991 11.710 4.058 1.00 61.33 C ATOM 1028 OG1 THR A 70 7.793 12.300 2.758 1.00 4.42 O ATOM 1029 CG2 THR A 70 6.676 11.174 4.561 1.00 62.41 C ATOM 0 H THR A 70 10.014 12.851 3.536 1.00 34.45 H new ATOM 0 HA THR A 70 7.830 13.568 5.178 1.00 31.53 H new ATOM 0 HB THR A 70 8.696 10.880 4.010 1.00 61.33 H new ATOM 0 HG1 THR A 70 8.567 12.106 2.189 1.00 4.42 H new ATOM 0 HG21 THR A 70 6.303 10.418 3.870 1.00 62.41 H new ATOM 0 HG22 THR A 70 6.818 10.728 5.545 1.00 62.41 H new ATOM 0 HG23 THR A 70 5.955 11.988 4.632 1.00 62.41 H new ATOM 1037 N THR A 71 7.897 12.274 7.277 1.00 31.21 N ATOM 1038 CA THR A 71 7.990 11.744 8.603 1.00 73.23 C ATOM 1039 C THR A 71 6.959 10.658 8.808 1.00 72.44 C ATOM 1040 O THR A 71 5.834 10.760 8.328 1.00 20.14 O ATOM 1041 CB THR A 71 7.763 12.837 9.657 1.00 14.33 C ATOM 1042 OG1 THR A 71 6.589 13.590 9.343 1.00 40.11 O ATOM 1043 CG2 THR A 71 8.943 13.751 9.750 1.00 24.35 C ATOM 0 H THR A 71 7.005 12.727 7.077 1.00 31.21 H new ATOM 0 HA THR A 71 8.994 11.336 8.720 1.00 73.23 H new ATOM 0 HB THR A 71 7.631 12.350 10.623 1.00 14.33 H new ATOM 0 HG1 THR A 71 6.198 13.946 10.168 1.00 40.11 H new ATOM 0 HG21 THR A 71 8.753 14.515 10.504 1.00 24.35 H new ATOM 0 HG22 THR A 71 9.827 13.177 10.029 1.00 24.35 H new ATOM 0 HG23 THR A 71 9.110 14.228 8.785 1.00 24.35 H new ATOM 1051 N VAL A 72 7.333 9.639 9.495 1.00 74.33 N ATOM 1052 CA VAL A 72 6.440 8.576 9.827 1.00 74.42 C ATOM 1053 C VAL A 72 6.168 8.639 11.310 1.00 53.42 C ATOM 1054 O VAL A 72 7.085 8.587 12.118 1.00 73.20 O ATOM 1055 CB VAL A 72 7.003 7.196 9.415 1.00 11.14 C ATOM 1056 CG1 VAL A 72 7.142 7.130 7.905 1.00 71.13 C ATOM 1057 CG2 VAL A 72 8.354 6.929 10.065 1.00 22.25 C ATOM 0 H VAL A 72 8.281 9.514 9.850 1.00 74.33 H new ATOM 0 HA VAL A 72 5.510 8.698 9.271 1.00 74.42 H new ATOM 0 HB VAL A 72 6.305 6.432 9.757 1.00 11.14 H new ATOM 0 HG11 VAL A 72 7.539 6.156 7.618 1.00 71.13 H new ATOM 0 HG12 VAL A 72 6.165 7.274 7.443 1.00 71.13 H new ATOM 0 HG13 VAL A 72 7.822 7.912 7.568 1.00 71.13 H new ATOM 0 HG21 VAL A 72 8.720 5.951 9.754 1.00 22.25 H new ATOM 0 HG22 VAL A 72 9.064 7.697 9.758 1.00 22.25 H new ATOM 0 HG23 VAL A 72 8.246 6.948 11.149 1.00 22.25 H new ATOM 1067 N ASN A 73 4.925 8.876 11.658 1.00 13.33 N ATOM 1068 CA ASN A 73 4.499 9.034 13.050 1.00 71.35 C ATOM 1069 C ASN A 73 5.247 10.214 13.676 1.00 64.35 C ATOM 1070 O ASN A 73 5.516 10.251 14.879 1.00 64.35 O ATOM 1071 CB ASN A 73 4.703 7.714 13.828 1.00 43.43 C ATOM 1072 CG ASN A 73 3.803 6.605 13.296 1.00 64.53 C ATOM 1073 OD1 ASN A 73 2.673 6.859 12.864 1.00 40.14 O ATOM 1074 ND2 ASN A 73 4.293 5.394 13.275 1.00 63.43 N ATOM 0 H ASN A 73 4.165 8.967 10.984 1.00 13.33 H new ATOM 0 HA ASN A 73 3.433 9.257 13.095 1.00 71.35 H new ATOM 0 HB2 ASN A 73 5.746 7.405 13.754 1.00 43.43 H new ATOM 0 HB3 ASN A 73 4.494 7.878 14.885 1.00 43.43 H new ATOM 0 HD21 ASN A 73 3.739 4.626 12.895 1.00 63.43 H new ATOM 0 HD22 ASN A 73 5.229 5.216 13.639 1.00 63.43 H new ATOM 1081 N ASN A 74 5.578 11.182 12.788 1.00 61.20 N ATOM 1082 CA ASN A 74 6.287 12.434 13.084 1.00 24.52 C ATOM 1083 C ASN A 74 7.812 12.196 13.242 1.00 43.13 C ATOM 1084 O ASN A 74 8.571 13.088 13.610 1.00 65.41 O ATOM 1085 CB ASN A 74 5.673 13.188 14.295 1.00 70.42 C ATOM 1086 CG ASN A 74 6.187 14.615 14.450 1.00 75.15 C ATOM 1087 OD1 ASN A 74 6.524 15.287 13.470 1.00 64.35 O ATOM 1088 ND2 ASN A 74 6.239 15.089 15.661 1.00 53.15 N ATOM 0 H ASN A 74 5.343 11.099 11.799 1.00 61.20 H new ATOM 0 HA ASN A 74 6.154 13.091 12.225 1.00 24.52 H new ATOM 0 HB2 ASN A 74 4.589 13.211 14.186 1.00 70.42 H new ATOM 0 HB3 ASN A 74 5.890 12.632 15.207 1.00 70.42 H new ATOM 0 HD21 ASN A 74 6.565 16.042 15.822 1.00 53.15 H new ATOM 0 HD22 ASN A 74 5.953 14.508 16.449 1.00 53.15 H new ATOM 1095 N ALA A 75 8.256 10.996 12.926 1.00 2.44 N ATOM 1096 CA ALA A 75 9.669 10.659 12.977 1.00 23.52 C ATOM 1097 C ALA A 75 10.264 10.697 11.563 1.00 14.54 C ATOM 1098 O ALA A 75 9.771 10.018 10.664 1.00 65.42 O ATOM 1099 CB ALA A 75 9.868 9.285 13.608 1.00 14.33 C ATOM 0 H ALA A 75 7.653 10.229 12.628 1.00 2.44 H new ATOM 0 HA ALA A 75 10.186 11.393 13.595 1.00 23.52 H new ATOM 0 HB1 ALA A 75 10.932 9.049 13.638 1.00 14.33 H new ATOM 0 HB2 ALA A 75 9.468 9.289 14.622 1.00 14.33 H new ATOM 0 HB3 ALA A 75 9.346 8.533 13.015 1.00 14.33 H new ATOM 1105 N PRO A 76 11.295 11.516 11.338 1.00 21.21 N ATOM 1106 CA PRO A 76 11.930 11.647 10.014 1.00 1.04 C ATOM 1107 C PRO A 76 12.699 10.383 9.622 1.00 24.54 C ATOM 1108 O PRO A 76 13.538 9.902 10.385 1.00 44.21 O ATOM 1109 CB PRO A 76 12.894 12.830 10.200 1.00 71.22 C ATOM 1110 CG PRO A 76 13.172 12.884 11.664 1.00 64.33 C ATOM 1111 CD PRO A 76 11.930 12.389 12.348 1.00 3.13 C ATOM 0 HA PRO A 76 11.201 11.798 9.218 1.00 1.04 H new ATOM 0 HB2 PRO A 76 13.812 12.683 9.630 1.00 71.22 H new ATOM 0 HB3 PRO A 76 12.447 13.760 9.850 1.00 71.22 H new ATOM 0 HG2 PRO A 76 14.030 12.263 11.920 1.00 64.33 H new ATOM 0 HG3 PRO A 76 13.409 13.901 11.977 1.00 64.33 H new ATOM 0 HD2 PRO A 76 12.167 11.840 13.259 1.00 3.13 H new ATOM 0 HD3 PRO A 76 11.275 13.212 12.633 1.00 3.13 H new ATOM 1119 N VAL A 77 12.411 9.844 8.447 1.00 52.33 N ATOM 1120 CA VAL A 77 13.067 8.622 7.956 1.00 42.22 C ATOM 1121 C VAL A 77 13.259 8.696 6.449 1.00 32.15 C ATOM 1122 O VAL A 77 12.709 9.581 5.792 1.00 55.13 O ATOM 1123 CB VAL A 77 12.242 7.328 8.260 1.00 35.25 C ATOM 1124 CG1 VAL A 77 12.135 7.042 9.755 1.00 3.14 C ATOM 1125 CG2 VAL A 77 10.860 7.417 7.627 1.00 42.30 C ATOM 0 H VAL A 77 11.721 10.232 7.803 1.00 52.33 H new ATOM 0 HA VAL A 77 14.022 8.563 8.478 1.00 42.22 H new ATOM 0 HB VAL A 77 12.782 6.491 7.817 1.00 35.25 H new ATOM 0 HG11 VAL A 77 11.553 6.134 9.911 1.00 3.14 H new ATOM 0 HG12 VAL A 77 13.133 6.909 10.172 1.00 3.14 H new ATOM 0 HG13 VAL A 77 11.642 7.878 10.251 1.00 3.14 H new ATOM 0 HG21 VAL A 77 10.299 6.509 7.848 1.00 42.30 H new ATOM 0 HG22 VAL A 77 10.329 8.279 8.032 1.00 42.30 H new ATOM 0 HG23 VAL A 77 10.961 7.527 6.547 1.00 42.30 H new ATOM 1135 N GLN A 78 14.044 7.781 5.916 1.00 24.14 N ATOM 1136 CA GLN A 78 14.225 7.652 4.485 1.00 51.02 C ATOM 1137 C GLN A 78 13.310 6.556 3.957 1.00 21.33 C ATOM 1138 O GLN A 78 12.789 6.642 2.837 1.00 70.35 O ATOM 1139 CB GLN A 78 15.676 7.330 4.154 1.00 3.10 C ATOM 1140 CG GLN A 78 16.646 8.442 4.500 1.00 12.10 C ATOM 1141 CD GLN A 78 18.078 8.046 4.236 1.00 74.43 C ATOM 1142 OE1 GLN A 78 18.596 8.231 3.137 1.00 51.52 O ATOM 1143 NE2 GLN A 78 18.733 7.517 5.237 1.00 61.54 N ATOM 0 H GLN A 78 14.575 7.105 6.465 1.00 24.14 H new ATOM 0 HA GLN A 78 13.970 8.599 4.009 1.00 51.02 H new ATOM 0 HB2 GLN A 78 15.969 6.426 4.689 1.00 3.10 H new ATOM 0 HB3 GLN A 78 15.755 7.110 3.089 1.00 3.10 H new ATOM 0 HG2 GLN A 78 16.402 9.330 3.917 1.00 12.10 H new ATOM 0 HG3 GLN A 78 16.532 8.709 5.551 1.00 12.10 H new ATOM 0 HE21 GLN A 78 18.268 7.379 6.135 1.00 61.54 H new ATOM 0 HE22 GLN A 78 19.708 7.242 5.120 1.00 61.54 H new ATOM 1152 N GLU A 79 13.114 5.530 4.766 1.00 14.42 N ATOM 1153 CA GLU A 79 12.238 4.436 4.424 1.00 71.45 C ATOM 1154 C GLU A 79 11.602 3.875 5.685 1.00 22.13 C ATOM 1155 O GLU A 79 12.169 3.996 6.782 1.00 12.05 O ATOM 1156 CB GLU A 79 12.972 3.332 3.648 1.00 5.21 C ATOM 1157 CG GLU A 79 14.117 2.674 4.396 1.00 55.20 C ATOM 1158 CD GLU A 79 14.725 1.554 3.606 1.00 75.22 C ATOM 1159 OE1 GLU A 79 14.198 0.426 3.652 1.00 30.43 O ATOM 1160 OE2 GLU A 79 15.726 1.777 2.907 1.00 2.23 O ATOM 0 H GLU A 79 13.561 5.437 5.678 1.00 14.42 H new ATOM 0 HA GLU A 79 11.458 4.821 3.767 1.00 71.45 H new ATOM 0 HB2 GLU A 79 12.251 2.564 3.370 1.00 5.21 H new ATOM 0 HB3 GLU A 79 13.359 3.756 2.722 1.00 5.21 H new ATOM 0 HG2 GLU A 79 14.881 3.418 4.619 1.00 55.20 H new ATOM 0 HG3 GLU A 79 13.756 2.292 5.351 1.00 55.20 H new ATOM 1167 N TRP A 80 10.453 3.289 5.531 1.00 45.24 N ATOM 1168 CA TRP A 80 9.692 2.745 6.629 1.00 62.11 C ATOM 1169 C TRP A 80 8.757 1.694 6.082 1.00 33.34 C ATOM 1170 O TRP A 80 8.381 1.751 4.919 1.00 51.24 O ATOM 1171 CB TRP A 80 8.899 3.899 7.282 1.00 43.31 C ATOM 1172 CG TRP A 80 7.963 3.547 8.407 1.00 10.31 C ATOM 1173 CD1 TRP A 80 6.619 3.329 8.315 1.00 54.11 C ATOM 1174 CD2 TRP A 80 8.291 3.434 9.791 1.00 32.10 C ATOM 1175 NE1 TRP A 80 6.093 3.074 9.551 1.00 53.30 N ATOM 1176 CE2 TRP A 80 7.097 3.132 10.478 1.00 65.10 C ATOM 1177 CE3 TRP A 80 9.479 3.550 10.519 1.00 4.45 C ATOM 1178 CZ2 TRP A 80 7.058 2.955 11.850 1.00 75.12 C ATOM 1179 CZ3 TRP A 80 9.433 3.375 11.885 1.00 12.52 C ATOM 1180 CH2 TRP A 80 8.230 3.079 12.535 1.00 72.41 C ATOM 0 H TRP A 80 10.004 3.170 4.623 1.00 45.24 H new ATOM 0 HA TRP A 80 10.339 2.288 7.378 1.00 62.11 H new ATOM 0 HB2 TRP A 80 9.615 4.630 7.656 1.00 43.31 H new ATOM 0 HB3 TRP A 80 8.318 4.392 6.502 1.00 43.31 H new ATOM 0 HD1 TRP A 80 6.052 3.354 7.396 1.00 54.11 H new ATOM 0 HE1 TRP A 80 5.113 2.873 9.749 1.00 53.30 H new ATOM 0 HE3 TRP A 80 10.412 3.772 10.022 1.00 4.45 H new ATOM 0 HZ2 TRP A 80 6.133 2.727 12.359 1.00 75.12 H new ATOM 0 HZ3 TRP A 80 10.340 3.468 12.463 1.00 12.52 H new ATOM 0 HH2 TRP A 80 8.230 2.945 13.607 1.00 72.41 H new ATOM 1191 N GLN A 81 8.423 0.730 6.871 1.00 70.35 N ATOM 1192 CA GLN A 81 7.453 -0.222 6.465 1.00 23.24 C ATOM 1193 C GLN A 81 6.100 0.073 7.088 1.00 74.50 C ATOM 1194 O GLN A 81 5.909 -0.036 8.289 1.00 32.13 O ATOM 1195 CB GLN A 81 7.939 -1.692 6.560 1.00 51.51 C ATOM 1196 CG GLN A 81 8.654 -2.155 7.845 1.00 61.33 C ATOM 1197 CD GLN A 81 7.791 -2.217 9.092 1.00 51.11 C ATOM 1198 OE1 GLN A 81 7.130 -3.226 9.348 1.00 1.04 O ATOM 1199 NE2 GLN A 81 7.862 -1.213 9.919 1.00 24.31 N ATOM 0 H GLN A 81 8.810 0.582 7.803 1.00 70.35 H new ATOM 0 HA GLN A 81 7.303 -0.105 5.392 1.00 23.24 H new ATOM 0 HB2 GLN A 81 7.072 -2.337 6.414 1.00 51.51 H new ATOM 0 HB3 GLN A 81 8.614 -1.871 5.723 1.00 51.51 H new ATOM 0 HG2 GLN A 81 9.076 -3.144 7.668 1.00 61.33 H new ATOM 0 HG3 GLN A 81 9.490 -1.482 8.037 1.00 61.33 H new ATOM 0 HE21 GLN A 81 8.417 -0.392 9.678 1.00 24.31 H new ATOM 0 HE22 GLN A 81 7.362 -1.248 10.807 1.00 24.31 H new ATOM 1208 N LEU A 82 5.198 0.523 6.255 1.00 23.21 N ATOM 1209 CA LEU A 82 3.866 0.951 6.674 1.00 74.11 C ATOM 1210 C LEU A 82 3.109 -0.135 7.407 1.00 64.04 C ATOM 1211 O LEU A 82 3.229 -1.328 7.082 1.00 74.51 O ATOM 1212 CB LEU A 82 3.039 1.355 5.467 1.00 51.54 C ATOM 1213 CG LEU A 82 3.600 2.466 4.596 1.00 32.20 C ATOM 1214 CD1 LEU A 82 2.692 2.733 3.407 1.00 65.12 C ATOM 1215 CD2 LEU A 82 3.783 3.717 5.413 1.00 53.35 C ATOM 0 H LEU A 82 5.359 0.608 5.251 1.00 23.21 H new ATOM 0 HA LEU A 82 4.016 1.793 7.350 1.00 74.11 H new ATOM 0 HB2 LEU A 82 2.895 0.473 4.843 1.00 51.54 H new ATOM 0 HB3 LEU A 82 2.053 1.662 5.817 1.00 51.54 H new ATOM 0 HG LEU A 82 4.570 2.150 4.213 1.00 32.20 H new ATOM 0 HD11 LEU A 82 3.115 3.532 2.798 1.00 65.12 H new ATOM 0 HD12 LEU A 82 2.603 1.828 2.806 1.00 65.12 H new ATOM 0 HD13 LEU A 82 1.705 3.031 3.762 1.00 65.12 H new ATOM 0 HD21 LEU A 82 4.186 4.509 4.781 1.00 53.35 H new ATOM 0 HD22 LEU A 82 2.821 4.030 5.819 1.00 53.35 H new ATOM 0 HD23 LEU A 82 4.475 3.519 6.232 1.00 53.35 H new ATOM 1227 N ALA A 83 2.359 0.281 8.383 1.00 1.41 N ATOM 1228 CA ALA A 83 1.468 -0.567 9.118 1.00 32.13 C ATOM 1229 C ALA A 83 0.141 0.152 9.236 1.00 21.45 C ATOM 1230 O ALA A 83 0.047 1.348 8.899 1.00 63.24 O ATOM 1231 CB ALA A 83 2.029 -0.880 10.498 1.00 11.35 C ATOM 0 H ALA A 83 2.350 1.250 8.700 1.00 1.41 H new ATOM 0 HA ALA A 83 1.342 -1.517 8.598 1.00 32.13 H new ATOM 0 HB1 ALA A 83 1.334 -1.525 11.036 1.00 11.35 H new ATOM 0 HB2 ALA A 83 2.988 -1.387 10.394 1.00 11.35 H new ATOM 0 HB3 ALA A 83 2.167 0.048 11.054 1.00 11.35 H new ATOM 1237 N ASP A 84 -0.867 -0.547 9.691 1.00 30.13 N ATOM 1238 CA ASP A 84 -2.195 0.022 9.842 1.00 24.10 C ATOM 1239 C ASP A 84 -2.210 0.988 11.009 1.00 2.45 C ATOM 1240 O ASP A 84 -2.029 0.586 12.163 1.00 34.43 O ATOM 1241 CB ASP A 84 -3.240 -1.088 10.051 1.00 13.52 C ATOM 1242 CG ASP A 84 -4.661 -0.565 10.151 1.00 30.32 C ATOM 1243 OD1 ASP A 84 -5.153 0.015 9.187 1.00 11.12 O ATOM 1244 OD2 ASP A 84 -5.328 -0.769 11.189 1.00 23.01 O ATOM 0 H ASP A 84 -0.798 -1.526 9.969 1.00 30.13 H new ATOM 0 HA ASP A 84 -2.451 0.562 8.931 1.00 24.10 H new ATOM 0 HB2 ASP A 84 -3.178 -1.796 9.224 1.00 13.52 H new ATOM 0 HB3 ASP A 84 -2.998 -1.638 10.960 1.00 13.52 H new ATOM 1249 N GLY A 85 -2.372 2.251 10.708 1.00 14.40 N ATOM 1250 CA GLY A 85 -2.424 3.256 11.737 1.00 14.33 C ATOM 1251 C GLY A 85 -1.190 4.141 11.779 1.00 61.24 C ATOM 1252 O GLY A 85 -0.971 4.851 12.766 1.00 61.44 O ATOM 0 H GLY A 85 -2.470 2.608 9.757 1.00 14.40 H new ATOM 0 HA2 GLY A 85 -3.304 3.880 11.581 1.00 14.33 H new ATOM 0 HA3 GLY A 85 -2.546 2.769 12.704 1.00 14.33 H new ATOM 1256 N ASP A 86 -0.364 4.096 10.747 1.00 71.53 N ATOM 1257 CA ASP A 86 0.812 4.973 10.709 1.00 42.23 C ATOM 1258 C ASP A 86 0.465 6.312 10.103 1.00 63.22 C ATOM 1259 O ASP A 86 -0.323 6.388 9.142 1.00 32.45 O ATOM 1260 CB ASP A 86 2.025 4.360 9.975 1.00 61.54 C ATOM 1261 CG ASP A 86 2.765 3.298 10.763 1.00 73.23 C ATOM 1262 OD1 ASP A 86 2.839 3.397 12.020 1.00 23.14 O ATOM 1263 OD2 ASP A 86 3.348 2.378 10.138 1.00 54.41 O ATOM 0 H ASP A 86 -0.474 3.482 9.940 1.00 71.53 H new ATOM 0 HA ASP A 86 1.112 5.105 11.748 1.00 42.23 H new ATOM 0 HB2 ASP A 86 1.684 3.925 9.035 1.00 61.54 H new ATOM 0 HB3 ASP A 86 2.722 5.159 9.722 1.00 61.54 H new ATOM 1268 N VAL A 87 1.027 7.365 10.669 1.00 21.23 N ATOM 1269 CA VAL A 87 0.806 8.719 10.192 1.00 33.21 C ATOM 1270 C VAL A 87 1.995 9.142 9.362 1.00 24.13 C ATOM 1271 O VAL A 87 3.083 9.293 9.874 1.00 62.42 O ATOM 1272 CB VAL A 87 0.651 9.731 11.365 1.00 15.55 C ATOM 1273 CG1 VAL A 87 0.272 11.109 10.841 1.00 72.02 C ATOM 1274 CG2 VAL A 87 -0.360 9.241 12.393 1.00 51.44 C ATOM 0 H VAL A 87 1.651 7.306 11.474 1.00 21.23 H new ATOM 0 HA VAL A 87 -0.115 8.721 9.608 1.00 33.21 H new ATOM 0 HB VAL A 87 1.616 9.810 11.866 1.00 15.55 H new ATOM 0 HG11 VAL A 87 0.169 11.801 11.677 1.00 72.02 H new ATOM 0 HG12 VAL A 87 1.049 11.468 10.167 1.00 72.02 H new ATOM 0 HG13 VAL A 87 -0.674 11.046 10.303 1.00 72.02 H new ATOM 0 HG21 VAL A 87 -0.444 9.971 13.198 1.00 51.44 H new ATOM 0 HG22 VAL A 87 -1.332 9.114 11.916 1.00 51.44 H new ATOM 0 HG23 VAL A 87 -0.029 8.286 12.802 1.00 51.44 H new ATOM 1284 N ILE A 88 1.800 9.330 8.111 1.00 75.42 N ATOM 1285 CA ILE A 88 2.879 9.718 7.245 1.00 15.24 C ATOM 1286 C ILE A 88 2.733 11.206 6.895 1.00 14.12 C ATOM 1287 O ILE A 88 1.825 11.594 6.170 1.00 14.32 O ATOM 1288 CB ILE A 88 2.947 8.811 5.946 1.00 14.52 C ATOM 1289 CG1 ILE A 88 3.508 7.399 6.239 1.00 51.42 C ATOM 1290 CG2 ILE A 88 3.762 9.453 4.841 1.00 72.22 C ATOM 1291 CD1 ILE A 88 2.686 6.529 7.164 1.00 21.41 C ATOM 0 H ILE A 88 0.898 9.223 7.647 1.00 75.42 H new ATOM 0 HA ILE A 88 3.824 9.569 7.768 1.00 15.24 H new ATOM 0 HB ILE A 88 1.915 8.711 5.610 1.00 14.52 H new ATOM 0 HG12 ILE A 88 3.626 6.874 5.291 1.00 51.42 H new ATOM 0 HG13 ILE A 88 4.504 7.509 6.668 1.00 51.42 H new ATOM 0 HG21 ILE A 88 3.780 8.795 3.972 1.00 72.22 H new ATOM 0 HG22 ILE A 88 3.312 10.407 4.564 1.00 72.22 H new ATOM 0 HG23 ILE A 88 4.781 9.620 5.190 1.00 72.22 H new ATOM 0 HD11 ILE A 88 3.180 5.566 7.293 1.00 21.41 H new ATOM 0 HD12 ILE A 88 2.588 7.019 8.133 1.00 21.41 H new ATOM 0 HD13 ILE A 88 1.696 6.374 6.734 1.00 21.41 H new ATOM 1303 N ARG A 89 3.587 12.033 7.452 1.00 64.41 N ATOM 1304 CA ARG A 89 3.520 13.450 7.195 1.00 35.25 C ATOM 1305 C ARG A 89 4.540 13.859 6.170 1.00 65.15 C ATOM 1306 O ARG A 89 5.759 13.815 6.413 1.00 63.35 O ATOM 1307 CB ARG A 89 3.656 14.289 8.473 1.00 64.33 C ATOM 1308 CG ARG A 89 3.734 15.795 8.210 1.00 50.02 C ATOM 1309 CD ARG A 89 3.852 16.590 9.495 1.00 23.11 C ATOM 1310 NE ARG A 89 2.626 16.527 10.288 1.00 30.13 N ATOM 1311 CZ ARG A 89 2.561 16.555 11.626 1.00 2.55 C ATOM 1312 NH1 ARG A 89 3.677 16.645 12.367 1.00 54.41 N ATOM 1313 NH2 ARG A 89 1.378 16.502 12.217 1.00 2.22 N ATOM 0 H ARG A 89 4.335 11.748 8.085 1.00 64.41 H new ATOM 0 HA ARG A 89 2.527 13.650 6.794 1.00 35.25 H new ATOM 0 HB2 ARG A 89 2.806 14.086 9.124 1.00 64.33 H new ATOM 0 HB3 ARG A 89 4.551 13.975 9.010 1.00 64.33 H new ATOM 0 HG2 ARG A 89 4.592 16.008 7.572 1.00 50.02 H new ATOM 0 HG3 ARG A 89 2.845 16.115 7.666 1.00 50.02 H new ATOM 0 HD2 ARG A 89 4.686 16.207 10.084 1.00 23.11 H new ATOM 0 HD3 ARG A 89 4.079 17.630 9.259 1.00 23.11 H new ATOM 0 HE ARG A 89 1.745 16.456 9.780 1.00 30.13 H new ATOM 0 HH11 ARG A 89 4.589 16.693 11.912 1.00 54.41 H new ATOM 0 HH12 ARG A 89 3.613 16.665 13.385 1.00 54.41 H new ATOM 0 HH21 ARG A 89 0.529 16.441 11.655 1.00 2.22 H new ATOM 0 HH22 ARG A 89 1.315 16.523 13.235 1.00 2.22 H new ATOM 1327 N LEU A 90 4.036 14.241 5.047 1.00 55.15 N ATOM 1328 CA LEU A 90 4.801 14.702 3.934 1.00 40.12 C ATOM 1329 C LEU A 90 4.436 16.150 3.702 1.00 4.11 C ATOM 1330 O LEU A 90 3.471 16.616 4.298 1.00 72.40 O ATOM 1331 CB LEU A 90 4.644 13.817 2.651 1.00 31.13 C ATOM 1332 CG LEU A 90 3.250 13.630 1.996 1.00 33.53 C ATOM 1333 CD1 LEU A 90 3.422 12.941 0.654 1.00 61.34 C ATOM 1334 CD2 LEU A 90 2.326 12.775 2.854 1.00 1.14 C ATOM 0 H LEU A 90 3.032 14.241 4.869 1.00 55.15 H new ATOM 0 HA LEU A 90 5.862 14.617 4.167 1.00 40.12 H new ATOM 0 HB2 LEU A 90 5.305 14.231 1.890 1.00 31.13 H new ATOM 0 HB3 LEU A 90 5.022 12.824 2.895 1.00 31.13 H new ATOM 0 HG LEU A 90 2.803 14.618 1.884 1.00 33.53 H new ATOM 0 HD11 LEU A 90 2.447 12.806 0.187 1.00 61.34 H new ATOM 0 HD12 LEU A 90 4.052 13.553 0.009 1.00 61.34 H new ATOM 0 HD13 LEU A 90 3.891 11.968 0.802 1.00 61.34 H new ATOM 0 HD21 LEU A 90 1.362 12.670 2.357 1.00 1.14 H new ATOM 0 HD22 LEU A 90 2.770 11.790 2.996 1.00 1.14 H new ATOM 0 HD23 LEU A 90 2.185 13.252 3.824 1.00 1.14 H new ATOM 1346 N GLY A 91 5.248 16.861 2.933 1.00 45.40 N ATOM 1347 CA GLY A 91 5.081 18.304 2.691 1.00 63.24 C ATOM 1348 C GLY A 91 3.633 18.802 2.577 1.00 5.32 C ATOM 1349 O GLY A 91 2.997 18.648 1.536 1.00 71.40 O ATOM 0 H GLY A 91 6.051 16.458 2.451 1.00 45.40 H new ATOM 0 HA2 GLY A 91 5.569 18.847 3.500 1.00 63.24 H new ATOM 0 HA3 GLY A 91 5.607 18.562 1.772 1.00 63.24 H new ATOM 1353 N HIS A 92 3.142 19.371 3.696 1.00 34.30 N ATOM 1354 CA HIS A 92 1.817 20.016 3.844 1.00 63.43 C ATOM 1355 C HIS A 92 0.651 19.060 4.124 1.00 43.53 C ATOM 1356 O HIS A 92 -0.480 19.527 4.333 1.00 0.13 O ATOM 1357 CB HIS A 92 1.472 20.977 2.681 1.00 55.40 C ATOM 1358 CG HIS A 92 2.407 22.139 2.539 1.00 53.41 C ATOM 1359 ND1 HIS A 92 3.223 22.342 1.448 1.00 34.12 N ATOM 1360 CD2 HIS A 92 2.635 23.177 3.371 1.00 50.52 C ATOM 1361 CE1 HIS A 92 3.912 23.463 1.646 1.00 73.31 C ATOM 1362 NE2 HIS A 92 3.592 24.016 2.805 1.00 73.33 N ATOM 0 H HIS A 92 3.681 19.396 4.562 1.00 34.30 H new ATOM 0 HA HIS A 92 1.937 20.609 4.750 1.00 63.43 H new ATOM 0 HB2 HIS A 92 1.469 20.413 1.748 1.00 55.40 H new ATOM 0 HB3 HIS A 92 0.461 21.356 2.827 1.00 55.40 H new ATOM 0 HD1 HIS A 92 3.288 21.737 0.629 1.00 34.12 H new ATOM 0 HD2 HIS A 92 2.152 23.332 4.324 1.00 50.52 H new ATOM 0 HE1 HIS A 92 4.635 23.867 0.954 1.00 73.31 H new ATOM 1370 N SER A 93 0.884 17.766 4.187 1.00 74.14 N ATOM 1371 CA SER A 93 -0.228 16.865 4.401 1.00 5.03 C ATOM 1372 C SER A 93 0.205 15.596 5.148 1.00 54.02 C ATOM 1373 O SER A 93 1.264 15.030 4.889 1.00 33.42 O ATOM 1374 CB SER A 93 -0.872 16.516 3.046 1.00 13.53 C ATOM 1375 OG SER A 93 -2.162 15.923 3.195 1.00 12.04 O ATOM 0 H SER A 93 1.800 17.326 4.097 1.00 74.14 H new ATOM 0 HA SER A 93 -0.964 17.366 5.030 1.00 5.03 H new ATOM 0 HB2 SER A 93 -0.958 17.420 2.444 1.00 13.53 H new ATOM 0 HB3 SER A 93 -0.221 15.832 2.502 1.00 13.53 H new ATOM 0 HG SER A 93 -2.533 15.720 2.311 1.00 12.04 H new ATOM 1381 N GLU A 94 -0.606 15.168 6.088 1.00 73.11 N ATOM 1382 CA GLU A 94 -0.344 13.939 6.802 1.00 13.33 C ATOM 1383 C GLU A 94 -1.375 12.889 6.406 1.00 0.33 C ATOM 1384 O GLU A 94 -2.594 13.088 6.554 1.00 52.25 O ATOM 1385 CB GLU A 94 -0.230 14.154 8.334 1.00 12.24 C ATOM 1386 CG GLU A 94 -1.450 14.747 9.013 1.00 64.41 C ATOM 1387 CD GLU A 94 -1.152 15.211 10.423 1.00 4.42 C ATOM 1388 OE1 GLU A 94 -1.214 14.406 11.374 1.00 44.51 O ATOM 1389 OE2 GLU A 94 -0.841 16.424 10.605 1.00 23.13 O ATOM 0 H GLU A 94 -1.455 15.654 6.377 1.00 73.11 H new ATOM 0 HA GLU A 94 0.637 13.564 6.510 1.00 13.33 H new ATOM 0 HB2 GLU A 94 -0.009 13.194 8.801 1.00 12.24 H new ATOM 0 HB3 GLU A 94 0.622 14.806 8.527 1.00 12.24 H new ATOM 0 HG2 GLU A 94 -1.817 15.589 8.426 1.00 64.41 H new ATOM 0 HG3 GLU A 94 -2.247 14.004 9.038 1.00 64.41 H new ATOM 1396 N ILE A 95 -0.893 11.818 5.864 1.00 42.40 N ATOM 1397 CA ILE A 95 -1.720 10.778 5.320 1.00 21.41 C ATOM 1398 C ILE A 95 -1.748 9.594 6.298 1.00 42.25 C ATOM 1399 O ILE A 95 -0.726 9.277 6.930 1.00 32.14 O ATOM 1400 CB ILE A 95 -1.168 10.349 3.904 1.00 71.13 C ATOM 1401 CG1 ILE A 95 -2.113 9.432 3.173 1.00 32.02 C ATOM 1402 CG2 ILE A 95 0.202 9.711 3.977 1.00 45.32 C ATOM 1403 CD1 ILE A 95 -3.383 10.104 2.768 1.00 2.22 C ATOM 0 H ILE A 95 0.107 11.633 5.783 1.00 42.40 H new ATOM 0 HA ILE A 95 -2.741 11.136 5.186 1.00 21.41 H new ATOM 0 HB ILE A 95 -1.080 11.278 3.341 1.00 71.13 H new ATOM 0 HG12 ILE A 95 -1.616 9.041 2.285 1.00 32.02 H new ATOM 0 HG13 ILE A 95 -2.347 8.579 3.809 1.00 32.02 H new ATOM 0 HG21 ILE A 95 0.530 9.437 2.974 1.00 45.32 H new ATOM 0 HG22 ILE A 95 0.910 10.418 4.410 1.00 45.32 H new ATOM 0 HG23 ILE A 95 0.155 8.818 4.600 1.00 45.32 H new ATOM 0 HD11 ILE A 95 -4.021 9.391 2.246 1.00 2.22 H new ATOM 0 HD12 ILE A 95 -3.899 10.471 3.655 1.00 2.22 H new ATOM 0 HD13 ILE A 95 -3.157 10.941 2.107 1.00 2.22 H new ATOM 1415 N ILE A 96 -2.904 8.978 6.470 1.00 22.05 N ATOM 1416 CA ILE A 96 -3.015 7.872 7.378 1.00 35.01 C ATOM 1417 C ILE A 96 -3.045 6.613 6.573 1.00 72.25 C ATOM 1418 O ILE A 96 -3.787 6.509 5.604 1.00 1.14 O ATOM 1419 CB ILE A 96 -4.297 7.965 8.254 1.00 13.24 C ATOM 1420 CG1 ILE A 96 -4.352 9.305 8.989 1.00 72.12 C ATOM 1421 CG2 ILE A 96 -4.382 6.803 9.250 1.00 30.41 C ATOM 1422 CD1 ILE A 96 -3.187 9.567 9.923 1.00 2.23 C ATOM 0 H ILE A 96 -3.769 9.230 5.992 1.00 22.05 H new ATOM 0 HA ILE A 96 -2.161 7.885 8.055 1.00 35.01 H new ATOM 0 HB ILE A 96 -5.157 7.897 7.588 1.00 13.24 H new ATOM 0 HG12 ILE A 96 -4.395 10.106 8.251 1.00 72.12 H new ATOM 0 HG13 ILE A 96 -5.277 9.350 9.564 1.00 72.12 H new ATOM 0 HG21 ILE A 96 -5.290 6.900 9.845 1.00 30.41 H new ATOM 0 HG22 ILE A 96 -4.404 5.859 8.706 1.00 30.41 H new ATOM 0 HG23 ILE A 96 -3.513 6.823 9.908 1.00 30.41 H new ATOM 0 HD11 ILE A 96 -3.313 10.540 10.398 1.00 2.23 H new ATOM 0 HD12 ILE A 96 -3.152 8.791 10.688 1.00 2.23 H new ATOM 0 HD13 ILE A 96 -2.257 9.559 9.355 1.00 2.23 H new ATOM 1434 N VAL A 97 -2.226 5.697 6.926 1.00 51.41 N ATOM 1435 CA VAL A 97 -2.164 4.450 6.231 1.00 52.21 C ATOM 1436 C VAL A 97 -3.007 3.411 6.933 1.00 65.33 C ATOM 1437 O VAL A 97 -2.802 3.125 8.117 1.00 2.45 O ATOM 1438 CB VAL A 97 -0.712 3.959 6.084 1.00 72.33 C ATOM 1439 CG1 VAL A 97 -0.677 2.566 5.492 1.00 74.23 C ATOM 1440 CG2 VAL A 97 0.062 4.910 5.197 1.00 65.21 C ATOM 0 H VAL A 97 -1.574 5.781 7.706 1.00 51.41 H new ATOM 0 HA VAL A 97 -2.564 4.607 5.229 1.00 52.21 H new ATOM 0 HB VAL A 97 -0.254 3.929 7.073 1.00 72.33 H new ATOM 0 HG11 VAL A 97 0.358 2.237 5.396 1.00 74.23 H new ATOM 0 HG12 VAL A 97 -1.217 1.880 6.144 1.00 74.23 H new ATOM 0 HG13 VAL A 97 -1.147 2.577 4.508 1.00 74.23 H new ATOM 0 HG21 VAL A 97 1.089 4.559 5.096 1.00 65.21 H new ATOM 0 HG22 VAL A 97 -0.406 4.952 4.213 1.00 65.21 H new ATOM 0 HG23 VAL A 97 0.061 5.905 5.642 1.00 65.21 H new ATOM 1450 N ARG A 98 -3.975 2.887 6.227 1.00 10.34 N ATOM 1451 CA ARG A 98 -4.807 1.853 6.745 1.00 12.20 C ATOM 1452 C ARG A 98 -4.626 0.610 5.921 1.00 25.45 C ATOM 1453 O ARG A 98 -4.305 0.678 4.725 1.00 64.14 O ATOM 1454 CB ARG A 98 -6.280 2.249 6.742 1.00 70.35 C ATOM 1455 CG ARG A 98 -6.626 3.499 7.535 1.00 61.44 C ATOM 1456 CD ARG A 98 -6.123 3.464 8.978 1.00 21.43 C ATOM 1457 NE ARG A 98 -6.485 2.241 9.698 1.00 70.31 N ATOM 1458 CZ ARG A 98 -7.322 2.164 10.726 1.00 4.13 C ATOM 1459 NH1 ARG A 98 -8.074 3.200 11.066 1.00 65.42 N ATOM 1460 NH2 ARG A 98 -7.403 1.035 11.411 1.00 32.11 N ATOM 0 H ARG A 98 -4.202 3.172 5.274 1.00 10.34 H new ATOM 0 HA ARG A 98 -4.512 1.674 7.779 1.00 12.20 H new ATOM 0 HB2 ARG A 98 -6.596 2.397 5.709 1.00 70.35 H new ATOM 0 HB3 ARG A 98 -6.862 1.417 7.138 1.00 70.35 H new ATOM 0 HG2 ARG A 98 -6.202 4.368 7.032 1.00 61.44 H new ATOM 0 HG3 ARG A 98 -7.708 3.629 7.539 1.00 61.44 H new ATOM 0 HD2 ARG A 98 -5.038 3.567 8.978 1.00 21.43 H new ATOM 0 HD3 ARG A 98 -6.525 4.323 9.515 1.00 21.43 H new ATOM 0 HE ARG A 98 -6.056 1.371 9.382 1.00 70.31 H new ATOM 0 HH11 ARG A 98 -8.014 4.069 10.536 1.00 65.42 H new ATOM 0 HH12 ARG A 98 -8.713 3.128 11.858 1.00 65.42 H new ATOM 0 HH21 ARG A 98 -6.826 0.236 11.147 1.00 32.11 H new ATOM 0 HH22 ARG A 98 -8.042 0.964 12.203 1.00 32.11 H new ATOM 1474 N MET A 99 -4.811 -0.499 6.541 1.00 41.00 N ATOM 1475 CA MET A 99 -4.705 -1.778 5.896 1.00 14.13 C ATOM 1476 C MET A 99 -5.952 -2.588 6.123 1.00 42.44 C ATOM 1477 O MET A 99 -6.363 -2.845 7.263 1.00 71.20 O ATOM 1478 CB MET A 99 -3.458 -2.553 6.331 1.00 61.12 C ATOM 1479 CG MET A 99 -2.156 -1.937 5.859 1.00 2.20 C ATOM 1480 SD MET A 99 -0.710 -2.931 6.274 1.00 24.12 S ATOM 1481 CE MET A 99 0.567 -1.999 5.438 1.00 14.34 C ATOM 0 H MET A 99 -5.046 -0.555 7.532 1.00 41.00 H new ATOM 0 HA MET A 99 -4.598 -1.592 4.827 1.00 14.13 H new ATOM 0 HB2 MET A 99 -3.444 -2.619 7.419 1.00 61.12 H new ATOM 0 HB3 MET A 99 -3.525 -3.572 5.951 1.00 61.12 H new ATOM 0 HG2 MET A 99 -2.197 -1.800 4.778 1.00 2.20 H new ATOM 0 HG3 MET A 99 -2.048 -0.947 6.302 1.00 2.20 H new ATOM 0 HE1 MET A 99 1.526 -2.501 5.565 1.00 14.34 H new ATOM 0 HE2 MET A 99 0.331 -1.930 4.376 1.00 14.34 H new ATOM 0 HE3 MET A 99 0.623 -0.997 5.863 1.00 14.34 H new ATOM 1491 N HIS A 100 -6.551 -2.961 5.049 1.00 52.10 N ATOM 1492 CA HIS A 100 -7.771 -3.701 5.035 1.00 51.02 C ATOM 1493 C HIS A 100 -7.445 -5.115 4.610 1.00 1.32 C ATOM 1494 O HIS A 100 -7.490 -6.021 5.455 1.00 23.21 O ATOM 1495 CB HIS A 100 -8.783 -3.061 4.052 1.00 2.12 C ATOM 1496 CG HIS A 100 -9.096 -1.604 4.331 1.00 71.21 C ATOM 1497 ND1 HIS A 100 -10.225 -1.168 4.979 1.00 41.53 N ATOM 1498 CD2 HIS A 100 -8.395 -0.479 4.017 1.00 31.50 C ATOM 1499 CE1 HIS A 100 -10.186 0.166 5.041 1.00 44.42 C ATOM 1500 NE2 HIS A 100 -9.089 0.639 4.470 1.00 30.10 N ATOM 1501 OXT HIS A 100 -7.065 -5.321 3.439 1.00 39.03 O ATOM 0 H HIS A 100 -6.194 -2.753 4.117 1.00 52.10 H new ATOM 0 HA HIS A 100 -8.227 -3.697 6.025 1.00 51.02 H new ATOM 0 HB2 HIS A 100 -8.390 -3.147 3.039 1.00 2.12 H new ATOM 0 HB3 HIS A 100 -9.711 -3.631 4.084 1.00 2.12 H new ATOM 0 HD2 HIS A 100 -7.448 -0.458 3.498 1.00 31.50 H new ATOM 0 HE1 HIS A 100 -10.950 0.779 5.497 1.00 44.42 H new ATOM 0 HE2 HIS A 100 -8.811 1.616 4.381 1.00 30.10 H new TER 1509 HIS A 100