USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 567 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 50 ASN :FLIP amide:sc= -3.3! F(o=-4.2,f=-3.6!) USER MOD Set 1.2: A 87 ASN :FLIP amide:sc= -0.104 F(o=-6.2,f=-3.6) USER MOD Set 1.3: A 89 ASN :FLIP amide:sc= -0.201 F(o=-4.2,f=-3.6) USER MOD Set 2.1: A 83 SER OG : rot -114:sc= 1.18 USER MOD Set 2.2: A 85 THR OG1 : rot 180:sc= 1 USER MOD Set 3.1: A 17 TYR OH : rot 180:sc= 0.0496 USER MOD Set 3.2: A 66 ASN :FLIP amide:sc= -2.63 F(o=-3.2,f=-2.6) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 18:sc= 0.911 USER MOD Single : A 25 SER OG : rot 180:sc= 0.165 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0213) USER MOD Single : A 40 ASN : amide:sc= -0.201 K(o=-0.2,f=-1.6) USER MOD Single : A 41 THR OG1 : rot -168:sc= -3.27! USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.486 K(o=-0.49,f=-3.4!) USER MOD Single : A 53 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.547) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -63:sc= 0.347 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -3.37 K(o=-3.4,f=-4.8!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0228 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 68:sc= 0.323 USER MOD ----------------------------------------------------------------- ATOM 11 N ILE A 2 2.898 -2.095 -2.768 1.00 4.54 N ATOM 12 CA ILE A 2 3.302 -3.283 -3.508 1.00 62.31 C ATOM 13 C ILE A 2 4.573 -3.026 -4.310 1.00 43.23 C ATOM 14 O ILE A 2 5.058 -1.897 -4.379 1.00 4.44 O ATOM 15 CB ILE A 2 2.191 -3.755 -4.465 1.00 44.20 C ATOM 16 CG1 ILE A 2 1.956 -2.713 -5.561 1.00 33.04 C ATOM 17 CG2 ILE A 2 0.907 -4.021 -3.695 1.00 33.32 C ATOM 18 CD1 ILE A 2 0.889 -3.113 -6.556 1.00 21.33 C ATOM 0 HA ILE A 2 3.492 -4.064 -2.771 1.00 62.31 H new ATOM 0 HB ILE A 2 2.508 -4.685 -4.936 1.00 44.20 H new ATOM 0 HG12 ILE A 2 1.673 -1.768 -5.098 1.00 33.04 H new ATOM 0 HG13 ILE A 2 2.891 -2.540 -6.093 1.00 33.04 H new ATOM 0 HG21 ILE A 2 0.131 -4.354 -4.385 1.00 33.32 H new ATOM 0 HG22 ILE A 2 1.084 -4.795 -2.948 1.00 33.32 H new ATOM 0 HG23 ILE A 2 0.584 -3.106 -3.200 1.00 33.32 H new ATOM 0 HD11 ILE A 2 0.776 -2.328 -7.304 1.00 21.33 H new ATOM 0 HD12 ILE A 2 1.179 -4.042 -7.047 1.00 21.33 H new ATOM 0 HD13 ILE A 2 -0.058 -3.258 -6.036 1.00 21.33 H new ATOM 30 N SER A 3 5.107 -4.081 -4.918 1.00 0.33 N ATOM 31 CA SER A 3 6.323 -3.970 -5.714 1.00 43.24 C ATOM 32 C SER A 3 5.994 -3.913 -7.203 1.00 43.21 C ATOM 33 O SER A 3 5.480 -4.875 -7.775 1.00 10.34 O ATOM 34 CB SER A 3 7.253 -5.151 -5.431 1.00 5.10 C ATOM 35 OG SER A 3 8.089 -4.886 -4.318 1.00 4.12 O ATOM 0 H SER A 3 4.716 -5.022 -4.874 1.00 0.33 H new ATOM 0 HA SER A 3 6.827 -3.045 -5.435 1.00 43.24 H new ATOM 0 HB2 SER A 3 6.661 -6.046 -5.240 1.00 5.10 H new ATOM 0 HB3 SER A 3 7.865 -5.355 -6.310 1.00 5.10 H new ATOM 0 HG SER A 3 8.673 -5.656 -4.156 1.00 4.12 H new ATOM 41 N CYS A 4 6.295 -2.778 -7.826 1.00 33.11 N ATOM 42 CA CYS A 4 6.031 -2.593 -9.248 1.00 4.22 C ATOM 43 C CYS A 4 6.614 -3.743 -10.063 1.00 61.44 C ATOM 44 O CYS A 4 6.079 -4.112 -11.108 1.00 14.50 O ATOM 45 CB CYS A 4 6.619 -1.264 -9.728 1.00 21.23 C ATOM 46 SG CYS A 4 5.868 -0.629 -11.261 1.00 72.51 S ATOM 0 H CYS A 4 6.722 -1.973 -7.368 1.00 33.11 H new ATOM 0 HA CYS A 4 4.951 -2.579 -9.393 1.00 4.22 H new ATOM 0 HB2 CYS A 4 6.497 -0.520 -8.941 1.00 21.23 H new ATOM 0 HB3 CYS A 4 7.690 -1.389 -9.886 1.00 21.23 H new ATOM 51 N GLY A 5 7.716 -4.308 -9.577 1.00 54.14 N ATOM 52 CA GLY A 5 8.353 -5.411 -10.273 1.00 11.41 C ATOM 53 C GLY A 5 7.467 -6.639 -10.347 1.00 43.42 C ATOM 54 O GLY A 5 7.531 -7.401 -11.311 1.00 43.22 O ATOM 0 H GLY A 5 8.178 -4.021 -8.714 1.00 54.14 H new ATOM 0 HA2 GLY A 5 8.617 -5.096 -11.283 1.00 11.41 H new ATOM 0 HA3 GLY A 5 9.283 -5.668 -9.766 1.00 11.41 H new ATOM 58 N ALA A 6 6.640 -6.832 -9.326 1.00 15.14 N ATOM 59 CA ALA A 6 5.737 -7.976 -9.279 1.00 43.33 C ATOM 60 C ALA A 6 4.447 -7.688 -10.039 1.00 14.12 C ATOM 61 O ALA A 6 3.675 -8.599 -10.339 1.00 50.24 O ATOM 62 CB ALA A 6 5.431 -8.348 -7.836 1.00 70.33 C ATOM 0 H ALA A 6 6.576 -6.211 -8.519 1.00 15.14 H new ATOM 0 HA ALA A 6 6.232 -8.819 -9.762 1.00 43.33 H new ATOM 0 HB1 ALA A 6 4.756 -9.203 -7.816 1.00 70.33 H new ATOM 0 HB2 ALA A 6 6.357 -8.605 -7.322 1.00 70.33 H new ATOM 0 HB3 ALA A 6 4.960 -7.503 -7.334 1.00 70.33 H new ATOM 68 N VAL A 7 4.217 -6.415 -10.346 1.00 23.01 N ATOM 69 CA VAL A 7 3.020 -6.007 -11.071 1.00 32.22 C ATOM 70 C VAL A 7 3.093 -6.428 -12.534 1.00 45.33 C ATOM 71 O VAL A 7 2.165 -7.038 -13.065 1.00 32.45 O ATOM 72 CB VAL A 7 2.810 -4.483 -10.996 1.00 21.22 C ATOM 73 CG1 VAL A 7 1.520 -4.086 -11.698 1.00 24.31 C ATOM 74 CG2 VAL A 7 2.804 -4.017 -9.548 1.00 34.33 C ATOM 0 H VAL A 7 4.845 -5.648 -10.104 1.00 23.01 H new ATOM 0 HA VAL A 7 2.176 -6.506 -10.594 1.00 32.22 H new ATOM 0 HB VAL A 7 3.639 -3.994 -11.508 1.00 21.22 H new ATOM 0 HG11 VAL A 7 1.389 -3.006 -11.635 1.00 24.31 H new ATOM 0 HG12 VAL A 7 1.569 -4.385 -12.745 1.00 24.31 H new ATOM 0 HG13 VAL A 7 0.677 -4.583 -11.218 1.00 24.31 H new ATOM 0 HG21 VAL A 7 2.655 -2.938 -9.514 1.00 34.33 H new ATOM 0 HG22 VAL A 7 1.996 -4.513 -9.010 1.00 34.33 H new ATOM 0 HG23 VAL A 7 3.757 -4.266 -9.082 1.00 34.33 H new ATOM 84 N THR A 8 4.205 -6.097 -13.184 1.00 62.22 N ATOM 85 CA THR A 8 4.401 -6.440 -14.587 1.00 51.52 C ATOM 86 C THR A 8 4.720 -7.921 -14.752 1.00 40.03 C ATOM 87 O THR A 8 4.171 -8.590 -15.627 1.00 72.24 O ATOM 88 CB THR A 8 5.536 -5.608 -15.215 1.00 74.54 C ATOM 89 OG1 THR A 8 6.796 -6.003 -14.662 1.00 70.32 O ATOM 90 CG2 THR A 8 5.314 -4.123 -14.976 1.00 42.43 C ATOM 0 H THR A 8 4.983 -5.592 -12.761 1.00 62.22 H new ATOM 0 HA THR A 8 3.467 -6.214 -15.101 1.00 51.52 H new ATOM 0 HB THR A 8 5.539 -5.790 -16.290 1.00 74.54 H new ATOM 0 HG1 THR A 8 7.512 -5.471 -15.067 1.00 70.32 H new ATOM 0 HG21 THR A 8 6.128 -3.556 -15.428 1.00 42.43 H new ATOM 0 HG22 THR A 8 4.368 -3.820 -15.424 1.00 42.43 H new ATOM 0 HG23 THR A 8 5.287 -3.927 -13.904 1.00 42.43 H new ATOM 98 N SER A 9 5.611 -8.428 -13.906 1.00 14.33 N ATOM 99 CA SER A 9 6.005 -9.830 -13.960 1.00 62.42 C ATOM 100 C SER A 9 4.782 -10.741 -13.912 1.00 70.02 C ATOM 101 O SER A 9 4.700 -11.727 -14.644 1.00 73.43 O ATOM 102 CB SER A 9 6.948 -10.162 -12.802 1.00 31.42 C ATOM 103 OG SER A 9 7.831 -11.215 -13.149 1.00 31.15 O ATOM 0 H SER A 9 6.074 -7.888 -13.175 1.00 14.33 H new ATOM 0 HA SER A 9 6.525 -9.999 -14.903 1.00 62.42 H new ATOM 0 HB2 SER A 9 7.522 -9.276 -12.531 1.00 31.42 H new ATOM 0 HB3 SER A 9 6.366 -10.445 -11.925 1.00 31.42 H new ATOM 0 HG SER A 9 8.424 -11.407 -12.393 1.00 31.15 H new ATOM 109 N ASP A 10 3.834 -10.403 -13.045 1.00 42.41 N ATOM 110 CA ASP A 10 2.614 -11.188 -12.901 1.00 30.10 C ATOM 111 C ASP A 10 1.881 -11.302 -14.234 1.00 35.12 C ATOM 112 O ASP A 10 1.107 -12.235 -14.451 1.00 34.52 O ATOM 113 CB ASP A 10 1.697 -10.557 -11.852 1.00 53.03 C ATOM 114 CG ASP A 10 2.107 -10.910 -10.436 1.00 64.13 C ATOM 115 OD1 ASP A 10 1.381 -10.529 -9.495 1.00 14.42 O ATOM 116 OD2 ASP A 10 3.155 -11.569 -10.270 1.00 11.24 O ATOM 0 H ASP A 10 3.887 -9.590 -12.431 1.00 42.41 H new ATOM 0 HA ASP A 10 2.892 -12.190 -12.573 1.00 30.10 H new ATOM 0 HB2 ASP A 10 1.706 -9.473 -11.970 1.00 53.03 H new ATOM 0 HB3 ASP A 10 0.673 -10.887 -12.023 1.00 53.03 H new ATOM 121 N LEU A 11 2.128 -10.347 -15.123 1.00 12.52 N ATOM 122 CA LEU A 11 1.490 -10.339 -16.435 1.00 2.31 C ATOM 123 C LEU A 11 2.467 -10.786 -17.518 1.00 30.13 C ATOM 124 O LEU A 11 2.258 -10.525 -18.702 1.00 45.43 O ATOM 125 CB LEU A 11 0.959 -8.941 -16.757 1.00 41.22 C ATOM 126 CG LEU A 11 -0.309 -8.517 -16.016 1.00 34.42 C ATOM 127 CD1 LEU A 11 -0.822 -7.189 -16.550 1.00 43.11 C ATOM 128 CD2 LEU A 11 -1.381 -9.591 -16.136 1.00 21.34 C ATOM 0 H LEU A 11 2.766 -9.568 -14.960 1.00 12.52 H new ATOM 0 HA LEU A 11 0.657 -11.041 -16.411 1.00 2.31 H new ATOM 0 HB2 LEU A 11 1.743 -8.217 -16.537 1.00 41.22 H new ATOM 0 HB3 LEU A 11 0.765 -8.886 -17.828 1.00 41.22 H new ATOM 0 HG LEU A 11 -0.064 -8.391 -14.961 1.00 34.42 H new ATOM 0 HD11 LEU A 11 -1.725 -6.904 -16.010 1.00 43.11 H new ATOM 0 HD12 LEU A 11 -0.060 -6.422 -16.412 1.00 43.11 H new ATOM 0 HD13 LEU A 11 -1.050 -7.287 -17.611 1.00 43.11 H new ATOM 0 HD21 LEU A 11 -2.277 -9.272 -15.603 1.00 21.34 H new ATOM 0 HD22 LEU A 11 -1.622 -9.749 -17.187 1.00 21.34 H new ATOM 0 HD23 LEU A 11 -1.013 -10.522 -15.704 1.00 21.34 H new ATOM 140 N SER A 12 3.532 -11.464 -17.103 1.00 5.12 N ATOM 141 CA SER A 12 4.543 -11.947 -18.037 1.00 54.21 C ATOM 142 C SER A 12 3.909 -12.809 -19.124 1.00 72.33 C ATOM 143 O SER A 12 3.989 -12.510 -20.316 1.00 1.32 O ATOM 144 CB SER A 12 5.613 -12.748 -17.294 1.00 44.01 C ATOM 145 OG SER A 12 6.741 -11.942 -16.999 1.00 53.40 O ATOM 0 H SER A 12 3.717 -11.691 -16.126 1.00 5.12 H new ATOM 0 HA SER A 12 5.010 -11.082 -18.509 1.00 54.21 H new ATOM 0 HB2 SER A 12 5.196 -13.148 -16.370 1.00 44.01 H new ATOM 0 HB3 SER A 12 5.920 -13.600 -17.900 1.00 44.01 H new ATOM 0 HG SER A 12 7.410 -12.477 -16.522 1.00 53.40 H new ATOM 151 N PRO A 13 3.263 -13.908 -18.705 1.00 52.35 N ATOM 152 CA PRO A 13 2.602 -14.837 -19.627 1.00 12.14 C ATOM 153 C PRO A 13 1.358 -14.231 -20.268 1.00 43.11 C ATOM 154 O PRO A 13 0.830 -14.762 -21.245 1.00 52.14 O ATOM 155 CB PRO A 13 2.220 -16.015 -18.728 1.00 35.52 C ATOM 156 CG PRO A 13 2.108 -15.430 -17.363 1.00 13.05 C ATOM 157 CD PRO A 13 3.127 -14.327 -17.300 1.00 44.43 C ATOM 0 HA PRO A 13 3.247 -15.111 -20.462 1.00 12.14 H new ATOM 0 HB2 PRO A 13 1.279 -16.465 -19.044 1.00 35.52 H new ATOM 0 HB3 PRO A 13 2.976 -16.800 -18.761 1.00 35.52 H new ATOM 0 HG2 PRO A 13 1.104 -15.044 -17.185 1.00 13.05 H new ATOM 0 HG3 PRO A 13 2.300 -16.183 -16.599 1.00 13.05 H new ATOM 0 HD2 PRO A 13 2.792 -13.506 -16.666 1.00 44.43 H new ATOM 0 HD3 PRO A 13 4.075 -14.678 -16.892 1.00 44.43 H new ATOM 165 N CYS A 14 0.895 -13.116 -19.713 1.00 4.11 N ATOM 166 CA CYS A 14 -0.286 -12.437 -20.230 1.00 53.15 C ATOM 167 C CYS A 14 0.092 -11.447 -21.328 1.00 43.22 C ATOM 168 O CYS A 14 -0.698 -11.173 -22.232 1.00 70.15 O ATOM 169 CB CYS A 14 -1.017 -11.708 -19.101 1.00 71.10 C ATOM 170 SG CYS A 14 -1.574 -12.797 -17.751 1.00 65.30 S ATOM 0 H CYS A 14 1.321 -12.663 -18.904 1.00 4.11 H new ATOM 0 HA CYS A 14 -0.949 -13.190 -20.656 1.00 53.15 H new ATOM 0 HB2 CYS A 14 -0.357 -10.945 -18.689 1.00 71.10 H new ATOM 0 HB3 CYS A 14 -1.882 -11.191 -19.517 1.00 71.10 H new ATOM 175 N LEU A 15 1.306 -10.913 -21.243 1.00 32.13 N ATOM 176 CA LEU A 15 1.791 -9.953 -22.229 1.00 33.34 C ATOM 177 C LEU A 15 1.458 -10.412 -23.645 1.00 21.23 C ATOM 178 O LEU A 15 1.064 -9.611 -24.493 1.00 5.10 O ATOM 179 CB LEU A 15 3.301 -9.763 -22.084 1.00 5.44 C ATOM 180 CG LEU A 15 3.866 -8.446 -22.619 1.00 23.32 C ATOM 181 CD1 LEU A 15 3.180 -7.262 -21.956 1.00 30.22 C ATOM 182 CD2 LEU A 15 5.371 -8.384 -22.401 1.00 0.34 C ATOM 0 H LEU A 15 1.972 -11.129 -20.501 1.00 32.13 H new ATOM 0 HA LEU A 15 1.292 -9.001 -22.049 1.00 33.34 H new ATOM 0 HB2 LEU A 15 3.557 -9.843 -21.028 1.00 5.44 H new ATOM 0 HB3 LEU A 15 3.801 -10.585 -22.596 1.00 5.44 H new ATOM 0 HG LEU A 15 3.672 -8.398 -23.690 1.00 23.32 H new ATOM 0 HD11 LEU A 15 3.595 -6.334 -22.349 1.00 30.22 H new ATOM 0 HD12 LEU A 15 2.111 -7.298 -22.164 1.00 30.22 H new ATOM 0 HD13 LEU A 15 3.342 -7.304 -20.879 1.00 30.22 H new ATOM 0 HD21 LEU A 15 5.756 -7.440 -22.788 1.00 0.34 H new ATOM 0 HD22 LEU A 15 5.587 -8.455 -21.335 1.00 0.34 H new ATOM 0 HD23 LEU A 15 5.849 -9.212 -22.924 1.00 0.34 H new ATOM 194 N THR A 16 1.617 -11.708 -23.894 1.00 20.40 N ATOM 195 CA THR A 16 1.333 -12.275 -25.206 1.00 51.24 C ATOM 196 C THR A 16 -0.089 -11.949 -25.650 1.00 3.11 C ATOM 197 O THR A 16 -0.295 -11.244 -26.638 1.00 1.42 O ATOM 198 CB THR A 16 1.523 -13.803 -25.212 1.00 35.43 C ATOM 199 OG1 THR A 16 2.884 -14.129 -24.911 1.00 21.21 O ATOM 200 CG2 THR A 16 1.141 -14.391 -26.562 1.00 24.30 C ATOM 0 H THR A 16 1.941 -12.385 -23.203 1.00 20.40 H new ATOM 0 HA THR A 16 2.041 -11.826 -25.903 1.00 51.24 H new ATOM 0 HB THR A 16 0.871 -14.231 -24.450 1.00 35.43 H new ATOM 0 HG1 THR A 16 2.996 -15.103 -24.915 1.00 21.21 H new ATOM 0 HG21 THR A 16 1.284 -15.471 -26.542 1.00 24.30 H new ATOM 0 HG22 THR A 16 0.096 -14.167 -26.774 1.00 24.30 H new ATOM 0 HG23 THR A 16 1.770 -13.957 -27.339 1.00 24.30 H new ATOM 208 N TYR A 17 -1.066 -12.466 -24.914 1.00 10.24 N ATOM 209 CA TYR A 17 -2.469 -12.231 -25.233 1.00 12.25 C ATOM 210 C TYR A 17 -2.805 -10.745 -25.150 1.00 52.14 C ATOM 211 O TYR A 17 -3.658 -10.247 -25.887 1.00 32.23 O ATOM 212 CB TYR A 17 -3.369 -13.022 -24.282 1.00 14.21 C ATOM 213 CG TYR A 17 -4.829 -12.637 -24.370 1.00 30.24 C ATOM 214 CD1 TYR A 17 -5.468 -12.012 -23.306 1.00 21.14 C ATOM 215 CD2 TYR A 17 -5.569 -12.899 -25.515 1.00 75.45 C ATOM 216 CE1 TYR A 17 -6.802 -11.659 -23.381 1.00 25.43 C ATOM 217 CE2 TYR A 17 -6.903 -12.549 -25.600 1.00 40.11 C ATOM 218 CZ TYR A 17 -7.515 -11.929 -24.530 1.00 65.42 C ATOM 219 OH TYR A 17 -8.843 -11.580 -24.610 1.00 31.00 O ATOM 0 H TYR A 17 -0.912 -13.051 -24.092 1.00 10.24 H new ATOM 0 HA TYR A 17 -2.645 -12.568 -26.254 1.00 12.25 H new ATOM 0 HB2 TYR A 17 -3.268 -14.085 -24.500 1.00 14.21 H new ATOM 0 HB3 TYR A 17 -3.023 -12.872 -23.259 1.00 14.21 H new ATOM 0 HD1 TYR A 17 -4.912 -11.798 -22.405 1.00 21.14 H new ATOM 0 HD2 TYR A 17 -5.094 -13.385 -26.354 1.00 75.45 H new ATOM 0 HE1 TYR A 17 -7.283 -11.174 -22.544 1.00 25.43 H new ATOM 0 HE2 TYR A 17 -7.463 -12.760 -26.499 1.00 40.11 H new ATOM 0 HH TYR A 17 -9.197 -11.839 -25.486 1.00 31.00 H new ATOM 229 N LEU A 18 -2.128 -10.041 -24.250 1.00 30.10 N ATOM 230 CA LEU A 18 -2.352 -8.611 -24.070 1.00 55.24 C ATOM 231 C LEU A 18 -1.782 -7.819 -25.242 1.00 44.42 C ATOM 232 O LEU A 18 -2.188 -6.684 -25.496 1.00 60.11 O ATOM 233 CB LEU A 18 -1.719 -8.136 -22.762 1.00 1.43 C ATOM 234 CG LEU A 18 -2.374 -8.642 -21.476 1.00 41.11 C ATOM 235 CD1 LEU A 18 -1.716 -8.012 -20.258 1.00 72.11 C ATOM 236 CD2 LEU A 18 -3.868 -8.351 -21.488 1.00 45.12 C ATOM 0 H LEU A 18 -1.419 -10.437 -23.633 1.00 30.10 H new ATOM 0 HA LEU A 18 -3.428 -8.439 -24.028 1.00 55.24 H new ATOM 0 HB2 LEU A 18 -0.672 -8.440 -22.757 1.00 1.43 H new ATOM 0 HB3 LEU A 18 -1.734 -7.046 -22.749 1.00 1.43 H new ATOM 0 HG LEU A 18 -2.235 -9.722 -21.421 1.00 41.11 H new ATOM 0 HD11 LEU A 18 -2.195 -8.384 -19.352 1.00 72.11 H new ATOM 0 HD12 LEU A 18 -0.657 -8.272 -20.241 1.00 72.11 H new ATOM 0 HD13 LEU A 18 -1.823 -6.928 -20.306 1.00 72.11 H new ATOM 0 HD21 LEU A 18 -4.318 -8.718 -20.565 1.00 45.12 H new ATOM 0 HD22 LEU A 18 -4.029 -7.276 -21.567 1.00 45.12 H new ATOM 0 HD23 LEU A 18 -4.329 -8.851 -22.340 1.00 45.12 H new ATOM 248 N THR A 19 -0.838 -8.425 -25.956 1.00 3.42 N ATOM 249 CA THR A 19 -0.212 -7.777 -27.101 1.00 44.05 C ATOM 250 C THR A 19 -0.844 -8.241 -28.409 1.00 3.13 C ATOM 251 O THR A 19 -0.213 -8.199 -29.464 1.00 24.31 O ATOM 252 CB THR A 19 1.302 -8.059 -27.148 1.00 41.41 C ATOM 253 OG1 THR A 19 1.540 -9.469 -27.083 1.00 62.14 O ATOM 254 CG2 THR A 19 2.017 -7.365 -25.998 1.00 62.23 C ATOM 0 H THR A 19 -0.491 -9.364 -25.761 1.00 3.42 H new ATOM 0 HA THR A 19 -0.371 -6.705 -26.983 1.00 44.05 H new ATOM 0 HB THR A 19 1.693 -7.668 -28.087 1.00 41.41 H new ATOM 0 HG1 THR A 19 0.715 -9.950 -27.303 1.00 62.14 H new ATOM 0 HG21 THR A 19 3.085 -7.578 -26.052 1.00 62.23 H new ATOM 0 HG22 THR A 19 1.858 -6.289 -26.067 1.00 62.23 H new ATOM 0 HG23 THR A 19 1.621 -7.730 -25.050 1.00 62.23 H new ATOM 262 N GLY A 20 -2.096 -8.683 -28.331 1.00 45.25 N ATOM 263 CA GLY A 20 -2.792 -9.148 -29.516 1.00 54.24 C ATOM 264 C GLY A 20 -2.636 -10.640 -29.733 1.00 14.03 C ATOM 265 O GLY A 20 -3.314 -11.226 -30.576 1.00 24.32 O ATOM 0 H GLY A 20 -2.640 -8.727 -27.469 1.00 45.25 H new ATOM 0 HA2 GLY A 20 -3.851 -8.905 -29.430 1.00 54.24 H new ATOM 0 HA3 GLY A 20 -2.413 -8.616 -30.388 1.00 54.24 H new ATOM 269 N GLY A 21 -1.739 -11.257 -28.969 1.00 41.44 N ATOM 270 CA GLY A 21 -1.511 -12.684 -29.098 1.00 42.14 C ATOM 271 C GLY A 21 -2.712 -13.504 -28.670 1.00 5.01 C ATOM 272 O GLY A 21 -3.721 -12.971 -28.209 1.00 32.54 O ATOM 0 H GLY A 21 -1.167 -10.794 -28.263 1.00 41.44 H new ATOM 0 HA2 GLY A 21 -1.266 -12.917 -30.134 1.00 42.14 H new ATOM 0 HA3 GLY A 21 -0.648 -12.967 -28.495 1.00 42.14 H new ATOM 276 N PRO A 22 -2.611 -14.833 -28.823 1.00 43.33 N ATOM 277 CA PRO A 22 -3.688 -15.756 -28.456 1.00 14.03 C ATOM 278 C PRO A 22 -3.885 -15.847 -26.946 1.00 45.53 C ATOM 279 O PRO A 22 -2.941 -15.673 -26.176 1.00 42.24 O ATOM 280 CB PRO A 22 -3.211 -17.099 -29.014 1.00 50.35 C ATOM 281 CG PRO A 22 -1.727 -16.981 -29.068 1.00 1.24 C ATOM 282 CD PRO A 22 -1.437 -15.536 -29.367 1.00 23.02 C ATOM 0 HA PRO A 22 -4.652 -15.433 -28.850 1.00 14.03 H new ATOM 0 HB2 PRO A 22 -3.519 -17.926 -28.374 1.00 50.35 H new ATOM 0 HB3 PRO A 22 -3.629 -17.288 -30.003 1.00 50.35 H new ATOM 0 HG2 PRO A 22 -1.277 -17.282 -28.122 1.00 1.24 H new ATOM 0 HG3 PRO A 22 -1.312 -17.630 -29.839 1.00 1.24 H new ATOM 0 HD2 PRO A 22 -0.514 -15.205 -28.891 1.00 23.02 H new ATOM 0 HD3 PRO A 22 -1.324 -15.362 -30.437 1.00 23.02 H new ATOM 290 N GLY A 23 -5.117 -16.120 -26.529 1.00 71.34 N ATOM 291 CA GLY A 23 -5.414 -16.230 -25.113 1.00 51.41 C ATOM 292 C GLY A 23 -6.814 -15.757 -24.776 1.00 54.22 C ATOM 293 O GLY A 23 -7.686 -15.665 -25.640 1.00 75.24 O ATOM 0 H GLY A 23 -5.915 -16.267 -27.147 1.00 71.34 H new ATOM 0 HA2 GLY A 23 -5.299 -17.268 -24.800 1.00 51.41 H new ATOM 0 HA3 GLY A 23 -4.690 -15.645 -24.546 1.00 51.41 H new ATOM 297 N PRO A 24 -7.046 -15.448 -23.492 1.00 21.34 N ATOM 298 CA PRO A 24 -6.016 -15.554 -22.454 1.00 42.10 C ATOM 299 C PRO A 24 -5.653 -17.002 -22.143 1.00 2.22 C ATOM 300 O PRO A 24 -6.528 -17.831 -21.894 1.00 64.31 O ATOM 301 CB PRO A 24 -6.669 -14.893 -21.237 1.00 44.15 C ATOM 302 CG PRO A 24 -8.133 -15.045 -21.464 1.00 51.11 C ATOM 303 CD PRO A 24 -8.331 -14.973 -22.953 1.00 34.11 C ATOM 0 HA PRO A 24 -5.080 -15.086 -22.759 1.00 42.10 H new ATOM 0 HB2 PRO A 24 -6.360 -15.376 -20.310 1.00 44.15 H new ATOM 0 HB3 PRO A 24 -6.387 -13.843 -21.158 1.00 44.15 H new ATOM 0 HG2 PRO A 24 -8.493 -15.995 -21.068 1.00 51.11 H new ATOM 0 HG3 PRO A 24 -8.690 -14.257 -20.958 1.00 51.11 H new ATOM 0 HD2 PRO A 24 -9.160 -15.601 -23.279 1.00 34.11 H new ATOM 0 HD3 PRO A 24 -8.553 -13.957 -23.280 1.00 34.11 H new ATOM 311 N SER A 25 -4.357 -17.299 -22.158 1.00 13.22 N ATOM 312 CA SER A 25 -3.879 -18.648 -21.880 1.00 70.13 C ATOM 313 C SER A 25 -4.161 -19.037 -20.432 1.00 72.33 C ATOM 314 O SER A 25 -4.434 -18.194 -19.578 1.00 31.02 O ATOM 315 CB SER A 25 -2.379 -18.749 -22.164 1.00 51.23 C ATOM 316 OG SER A 25 -1.620 -18.491 -20.996 1.00 13.43 O ATOM 0 H SER A 25 -3.620 -16.623 -22.360 1.00 13.22 H new ATOM 0 HA SER A 25 -4.413 -19.338 -22.534 1.00 70.13 H new ATOM 0 HB2 SER A 25 -2.144 -19.744 -22.542 1.00 51.23 H new ATOM 0 HB3 SER A 25 -2.105 -18.039 -22.944 1.00 51.23 H new ATOM 0 HG SER A 25 -0.665 -18.563 -21.204 1.00 13.43 H new ATOM 322 N PRO A 26 -4.094 -20.347 -20.149 1.00 14.42 N ATOM 323 CA PRO A 26 -4.339 -20.879 -18.805 1.00 62.00 C ATOM 324 C PRO A 26 -3.230 -20.510 -17.825 1.00 35.21 C ATOM 325 O PRO A 26 -3.473 -20.364 -16.627 1.00 63.42 O ATOM 326 CB PRO A 26 -4.376 -22.393 -19.025 1.00 32.41 C ATOM 327 CG PRO A 26 -3.561 -22.618 -20.252 1.00 32.35 C ATOM 328 CD PRO A 26 -3.775 -21.408 -21.118 1.00 65.01 C ATOM 0 HA PRO A 26 -5.252 -20.476 -18.366 1.00 62.00 H new ATOM 0 HB2 PRO A 26 -3.961 -22.927 -18.171 1.00 32.41 H new ATOM 0 HB3 PRO A 26 -5.398 -22.749 -19.158 1.00 32.41 H new ATOM 0 HG2 PRO A 26 -2.507 -22.739 -20.004 1.00 32.35 H new ATOM 0 HG3 PRO A 26 -3.873 -23.527 -20.767 1.00 32.35 H new ATOM 0 HD2 PRO A 26 -2.885 -21.167 -21.699 1.00 65.01 H new ATOM 0 HD3 PRO A 26 -4.587 -21.561 -21.828 1.00 65.01 H new ATOM 336 N GLN A 27 -2.015 -20.361 -18.342 1.00 12.41 N ATOM 337 CA GLN A 27 -0.870 -20.009 -17.511 1.00 0.22 C ATOM 338 C GLN A 27 -0.894 -18.527 -17.150 1.00 21.21 C ATOM 339 O GLN A 27 -0.381 -18.123 -16.106 1.00 31.32 O ATOM 340 CB GLN A 27 0.435 -20.349 -18.233 1.00 52.11 C ATOM 341 CG GLN A 27 0.534 -21.806 -18.656 1.00 2.40 C ATOM 342 CD GLN A 27 1.775 -22.091 -19.480 1.00 14.14 C ATOM 343 OE1 GLN A 27 2.790 -22.549 -18.955 1.00 60.54 O ATOM 344 NE2 GLN A 27 1.699 -21.820 -20.777 1.00 72.55 N ATOM 0 H GLN A 27 -1.798 -20.478 -19.332 1.00 12.41 H new ATOM 0 HA GLN A 27 -0.929 -20.589 -16.590 1.00 0.22 H new ATOM 0 HB2 GLN A 27 0.528 -19.716 -19.115 1.00 52.11 H new ATOM 0 HB3 GLN A 27 1.275 -20.111 -17.580 1.00 52.11 H new ATOM 0 HG2 GLN A 27 0.539 -22.439 -17.768 1.00 2.40 H new ATOM 0 HG3 GLN A 27 -0.351 -22.074 -19.234 1.00 2.40 H new ATOM 0 HE21 GLN A 27 0.837 -21.441 -21.169 1.00 72.55 H new ATOM 0 HE22 GLN A 27 2.503 -21.991 -21.382 1.00 72.55 H new ATOM 353 N CYS A 28 -1.492 -17.721 -18.020 1.00 54.12 N ATOM 354 CA CYS A 28 -1.583 -16.283 -17.795 1.00 20.54 C ATOM 355 C CYS A 28 -2.595 -15.968 -16.697 1.00 51.20 C ATOM 356 O CYS A 28 -2.296 -15.236 -15.753 1.00 1.00 O ATOM 357 CB CYS A 28 -1.976 -15.567 -19.088 1.00 15.12 C ATOM 358 SG CYS A 28 -2.896 -14.016 -18.828 1.00 74.12 S ATOM 0 H CYS A 28 -1.922 -18.039 -18.889 1.00 54.12 H new ATOM 0 HA CYS A 28 -0.604 -15.927 -17.475 1.00 20.54 H new ATOM 0 HB2 CYS A 28 -1.074 -15.350 -19.660 1.00 15.12 H new ATOM 0 HB3 CYS A 28 -2.583 -16.240 -19.694 1.00 15.12 H new ATOM 363 N CYS A 29 -3.794 -16.525 -16.828 1.00 32.22 N ATOM 364 CA CYS A 29 -4.852 -16.304 -15.849 1.00 24.33 C ATOM 365 C CYS A 29 -4.342 -16.553 -14.432 1.00 62.00 C ATOM 366 O CYS A 29 -4.741 -15.872 -13.489 1.00 12.14 O ATOM 367 CB CYS A 29 -6.045 -17.217 -16.141 1.00 5.43 C ATOM 368 SG CYS A 29 -7.108 -16.637 -17.502 1.00 30.34 S ATOM 0 H CYS A 29 -4.058 -17.133 -17.603 1.00 32.22 H new ATOM 0 HA CYS A 29 -5.171 -15.265 -15.924 1.00 24.33 H new ATOM 0 HB2 CYS A 29 -5.676 -18.214 -16.382 1.00 5.43 H new ATOM 0 HB3 CYS A 29 -6.648 -17.310 -15.238 1.00 5.43 H new ATOM 373 N GLY A 30 -3.456 -17.535 -14.291 1.00 42.45 N ATOM 374 CA GLY A 30 -2.906 -17.856 -12.988 1.00 25.13 C ATOM 375 C GLY A 30 -2.280 -16.653 -12.310 1.00 24.41 C ATOM 376 O GLY A 30 -2.455 -16.447 -11.110 1.00 32.11 O ATOM 0 H GLY A 30 -3.110 -18.113 -15.057 1.00 42.45 H new ATOM 0 HA2 GLY A 30 -3.696 -18.257 -12.353 1.00 25.13 H new ATOM 0 HA3 GLY A 30 -2.156 -18.639 -13.097 1.00 25.13 H new ATOM 380 N GLY A 31 -1.545 -15.857 -13.081 1.00 22.22 N ATOM 381 CA GLY A 31 -0.900 -14.680 -12.530 1.00 11.34 C ATOM 382 C GLY A 31 -1.876 -13.547 -12.282 1.00 12.15 C ATOM 383 O GLY A 31 -1.798 -12.863 -11.261 1.00 52.41 O ATOM 0 H GLY A 31 -1.385 -16.007 -14.077 1.00 22.22 H new ATOM 0 HA2 GLY A 31 -0.408 -14.944 -11.594 1.00 11.34 H new ATOM 0 HA3 GLY A 31 -0.122 -14.342 -13.214 1.00 11.34 H new ATOM 387 N VAL A 32 -2.798 -13.346 -13.218 1.00 70.30 N ATOM 388 CA VAL A 32 -3.793 -12.288 -13.097 1.00 14.23 C ATOM 389 C VAL A 32 -4.490 -12.342 -11.742 1.00 14.41 C ATOM 390 O VAL A 32 -4.695 -11.314 -11.095 1.00 24.23 O ATOM 391 CB VAL A 32 -4.853 -12.383 -14.211 1.00 24.02 C ATOM 392 CG1 VAL A 32 -5.901 -11.293 -14.046 1.00 22.22 C ATOM 393 CG2 VAL A 32 -4.195 -12.298 -15.580 1.00 25.43 C ATOM 0 H VAL A 32 -2.876 -13.903 -14.069 1.00 70.30 H new ATOM 0 HA VAL A 32 -3.261 -11.341 -13.192 1.00 14.23 H new ATOM 0 HB VAL A 32 -5.353 -13.349 -14.132 1.00 24.02 H new ATOM 0 HG11 VAL A 32 -6.641 -11.376 -14.842 1.00 22.22 H new ATOM 0 HG12 VAL A 32 -6.393 -11.405 -13.080 1.00 22.22 H new ATOM 0 HG13 VAL A 32 -5.421 -10.316 -14.098 1.00 22.22 H new ATOM 0 HG21 VAL A 32 -4.958 -12.367 -16.355 1.00 25.43 H new ATOM 0 HG22 VAL A 32 -3.668 -11.348 -15.672 1.00 25.43 H new ATOM 0 HG23 VAL A 32 -3.486 -13.118 -15.695 1.00 25.43 H new ATOM 403 N LYS A 33 -4.854 -13.547 -11.317 1.00 43.01 N ATOM 404 CA LYS A 33 -5.527 -13.737 -10.038 1.00 23.23 C ATOM 405 C LYS A 33 -4.612 -13.353 -8.879 1.00 61.12 C ATOM 406 O LYS A 33 -5.041 -12.707 -7.923 1.00 51.54 O ATOM 407 CB LYS A 33 -5.976 -15.192 -9.886 1.00 31.21 C ATOM 408 CG LYS A 33 -6.981 -15.631 -10.937 1.00 64.51 C ATOM 409 CD LYS A 33 -6.821 -17.103 -11.280 1.00 73.11 C ATOM 410 CE LYS A 33 -7.855 -17.552 -12.302 1.00 25.31 C ATOM 411 NZ LYS A 33 -8.380 -18.912 -11.998 1.00 60.24 N ATOM 0 H LYS A 33 -4.694 -14.408 -11.841 1.00 43.01 H new ATOM 0 HA LYS A 33 -6.403 -13.088 -10.017 1.00 23.23 H new ATOM 0 HB2 LYS A 33 -5.102 -15.841 -9.938 1.00 31.21 H new ATOM 0 HB3 LYS A 33 -6.414 -15.327 -8.897 1.00 31.21 H new ATOM 0 HG2 LYS A 33 -7.992 -15.449 -10.573 1.00 64.51 H new ATOM 0 HG3 LYS A 33 -6.853 -15.030 -11.838 1.00 64.51 H new ATOM 0 HD2 LYS A 33 -5.819 -17.280 -11.672 1.00 73.11 H new ATOM 0 HD3 LYS A 33 -6.919 -17.702 -10.374 1.00 73.11 H new ATOM 0 HE2 LYS A 33 -8.680 -16.840 -12.321 1.00 25.31 H new ATOM 0 HE3 LYS A 33 -7.408 -17.549 -13.296 1.00 25.31 H new ATOM 0 HZ1 LYS A 33 -9.082 -19.182 -12.717 1.00 60.24 H new ATOM 0 HZ2 LYS A 33 -7.597 -19.596 -12.005 1.00 60.24 H new ATOM 0 HZ3 LYS A 33 -8.829 -18.909 -11.060 1.00 60.24 H new ATOM 425 N LYS A 34 -3.348 -13.754 -8.971 1.00 54.11 N ATOM 426 CA LYS A 34 -2.371 -13.450 -7.933 1.00 13.35 C ATOM 427 C LYS A 34 -2.149 -11.945 -7.819 1.00 24.02 C ATOM 428 O LYS A 34 -2.006 -11.410 -6.719 1.00 4.42 O ATOM 429 CB LYS A 34 -1.044 -14.151 -8.231 1.00 33.22 C ATOM 430 CG LYS A 34 0.083 -13.743 -7.298 1.00 33.12 C ATOM 431 CD LYS A 34 1.140 -14.829 -7.192 1.00 30.21 C ATOM 432 CE LYS A 34 2.408 -14.310 -6.532 1.00 43.02 C ATOM 433 NZ LYS A 34 2.157 -13.836 -5.143 1.00 52.11 N ATOM 0 H LYS A 34 -2.977 -14.291 -9.755 1.00 54.11 H new ATOM 0 HA LYS A 34 -2.762 -13.815 -6.983 1.00 13.35 H new ATOM 0 HB2 LYS A 34 -1.189 -15.229 -8.162 1.00 33.22 H new ATOM 0 HB3 LYS A 34 -0.751 -13.934 -9.258 1.00 33.22 H new ATOM 0 HG2 LYS A 34 0.541 -12.822 -7.660 1.00 33.12 H new ATOM 0 HG3 LYS A 34 -0.322 -13.530 -6.309 1.00 33.12 H new ATOM 0 HD2 LYS A 34 0.746 -15.667 -6.617 1.00 30.21 H new ATOM 0 HD3 LYS A 34 1.375 -15.208 -8.187 1.00 30.21 H new ATOM 0 HE2 LYS A 34 3.158 -15.100 -6.516 1.00 43.02 H new ATOM 0 HE3 LYS A 34 2.818 -13.493 -7.126 1.00 43.02 H new ATOM 0 HZ1 LYS A 34 3.055 -13.538 -4.710 1.00 52.11 H new ATOM 0 HZ2 LYS A 34 1.499 -13.031 -5.164 1.00 52.11 H new ATOM 0 HZ3 LYS A 34 1.742 -14.608 -4.583 1.00 52.11 H new ATOM 447 N LEU A 35 -2.122 -11.268 -8.961 1.00 42.33 N ATOM 448 CA LEU A 35 -1.918 -9.823 -8.990 1.00 32.41 C ATOM 449 C LEU A 35 -3.093 -9.095 -8.345 1.00 31.10 C ATOM 450 O LEU A 35 -2.910 -8.275 -7.445 1.00 12.53 O ATOM 451 CB LEU A 35 -1.734 -9.343 -10.430 1.00 52.14 C ATOM 452 CG LEU A 35 -1.918 -7.843 -10.666 1.00 61.34 C ATOM 453 CD1 LEU A 35 -1.056 -7.042 -9.703 1.00 51.12 C ATOM 454 CD2 LEU A 35 -1.585 -7.485 -12.107 1.00 65.54 C ATOM 0 H LEU A 35 -2.239 -11.696 -9.880 1.00 42.33 H new ATOM 0 HA LEU A 35 -1.017 -9.596 -8.420 1.00 32.41 H new ATOM 0 HB2 LEU A 35 -0.733 -9.622 -10.760 1.00 52.14 H new ATOM 0 HB3 LEU A 35 -2.440 -9.880 -11.064 1.00 52.14 H new ATOM 0 HG LEU A 35 -2.962 -7.591 -10.482 1.00 61.34 H new ATOM 0 HD11 LEU A 35 -1.200 -5.977 -9.886 1.00 51.12 H new ATOM 0 HD12 LEU A 35 -1.342 -7.276 -8.678 1.00 51.12 H new ATOM 0 HD13 LEU A 35 -0.007 -7.298 -9.855 1.00 51.12 H new ATOM 0 HD21 LEU A 35 -1.722 -6.414 -12.257 1.00 65.54 H new ATOM 0 HD22 LEU A 35 -0.549 -7.752 -12.318 1.00 65.54 H new ATOM 0 HD23 LEU A 35 -2.245 -8.032 -12.780 1.00 65.54 H new ATOM 466 N LEU A 36 -4.299 -9.402 -8.809 1.00 53.44 N ATOM 467 CA LEU A 36 -5.506 -8.778 -8.276 1.00 44.15 C ATOM 468 C LEU A 36 -5.724 -9.171 -6.819 1.00 63.50 C ATOM 469 O LEU A 36 -6.208 -8.374 -6.016 1.00 72.34 O ATOM 470 CB LEU A 36 -6.722 -9.178 -9.112 1.00 75.43 C ATOM 471 CG LEU A 36 -6.777 -8.613 -10.532 1.00 70.21 C ATOM 472 CD1 LEU A 36 -7.841 -9.328 -11.350 1.00 54.55 C ATOM 473 CD2 LEU A 36 -7.043 -7.115 -10.500 1.00 25.22 C ATOM 0 H LEU A 36 -4.468 -10.079 -9.553 1.00 53.44 H new ATOM 0 HA LEU A 36 -5.379 -7.697 -8.326 1.00 44.15 H new ATOM 0 HB2 LEU A 36 -6.753 -10.266 -9.174 1.00 75.43 H new ATOM 0 HB3 LEU A 36 -7.621 -8.863 -8.582 1.00 75.43 H new ATOM 0 HG LEU A 36 -5.810 -8.780 -11.007 1.00 70.21 H new ATOM 0 HD11 LEU A 36 -7.866 -8.913 -12.357 1.00 54.55 H new ATOM 0 HD12 LEU A 36 -7.607 -10.391 -11.402 1.00 54.55 H new ATOM 0 HD13 LEU A 36 -8.814 -9.193 -10.878 1.00 54.55 H new ATOM 0 HD21 LEU A 36 -7.079 -6.730 -11.519 1.00 25.22 H new ATOM 0 HD22 LEU A 36 -7.996 -6.925 -10.007 1.00 25.22 H new ATOM 0 HD23 LEU A 36 -6.245 -6.615 -9.951 1.00 25.22 H new ATOM 485 N ALA A 37 -5.361 -10.405 -6.484 1.00 25.21 N ATOM 486 CA ALA A 37 -5.512 -10.903 -5.122 1.00 74.04 C ATOM 487 C ALA A 37 -4.620 -10.134 -4.154 1.00 70.20 C ATOM 488 O ALA A 37 -4.893 -10.077 -2.955 1.00 72.25 O ATOM 489 CB ALA A 37 -5.197 -12.390 -5.066 1.00 72.41 C ATOM 0 H ALA A 37 -4.960 -11.078 -7.137 1.00 25.21 H new ATOM 0 HA ALA A 37 -6.548 -10.751 -4.819 1.00 74.04 H new ATOM 0 HB1 ALA A 37 -5.314 -12.748 -4.043 1.00 72.41 H new ATOM 0 HB2 ALA A 37 -5.880 -12.932 -5.720 1.00 72.41 H new ATOM 0 HB3 ALA A 37 -4.171 -12.557 -5.394 1.00 72.41 H new ATOM 495 N ALA A 38 -3.552 -9.545 -4.682 1.00 11.34 N ATOM 496 CA ALA A 38 -2.620 -8.778 -3.864 1.00 34.34 C ATOM 497 C ALA A 38 -3.103 -7.343 -3.681 1.00 24.22 C ATOM 498 O ALA A 38 -2.922 -6.749 -2.619 1.00 14.54 O ATOM 499 CB ALA A 38 -1.233 -8.795 -4.488 1.00 22.44 C ATOM 0 H ALA A 38 -3.311 -9.584 -5.672 1.00 11.34 H new ATOM 0 HA ALA A 38 -2.569 -9.245 -2.880 1.00 34.34 H new ATOM 0 HB1 ALA A 38 -0.547 -8.219 -3.867 1.00 22.44 H new ATOM 0 HB2 ALA A 38 -0.879 -9.823 -4.561 1.00 22.44 H new ATOM 0 HB3 ALA A 38 -1.277 -8.355 -5.484 1.00 22.44 H new ATOM 505 N ALA A 39 -3.716 -6.792 -4.723 1.00 64.55 N ATOM 506 CA ALA A 39 -4.225 -5.427 -4.677 1.00 23.52 C ATOM 507 C ALA A 39 -5.545 -5.360 -3.917 1.00 51.31 C ATOM 508 O ALA A 39 -6.602 -5.142 -4.508 1.00 63.35 O ATOM 509 CB ALA A 39 -4.396 -4.880 -6.086 1.00 4.51 C ATOM 0 H ALA A 39 -3.872 -7.270 -5.610 1.00 64.55 H new ATOM 0 HA ALA A 39 -3.499 -4.811 -4.146 1.00 23.52 H new ATOM 0 HB1 ALA A 39 -4.777 -3.860 -6.037 1.00 4.51 H new ATOM 0 HB2 ALA A 39 -3.433 -4.884 -6.597 1.00 4.51 H new ATOM 0 HB3 ALA A 39 -5.101 -5.504 -6.636 1.00 4.51 H new ATOM 515 N ASN A 40 -5.477 -5.548 -2.603 1.00 61.02 N ATOM 516 CA ASN A 40 -6.668 -5.509 -1.763 1.00 30.54 C ATOM 517 C ASN A 40 -6.806 -4.154 -1.076 1.00 24.01 C ATOM 518 O ASN A 40 -7.848 -3.839 -0.501 1.00 31.22 O ATOM 519 CB ASN A 40 -6.614 -6.622 -0.714 1.00 3.04 C ATOM 520 CG ASN A 40 -7.887 -6.708 0.105 1.00 54.51 C ATOM 521 OD1 ASN A 40 -8.955 -6.287 -0.341 1.00 43.53 O ATOM 522 ND2 ASN A 40 -7.780 -7.254 1.310 1.00 32.53 N ATOM 0 H ASN A 40 -4.610 -5.729 -2.097 1.00 61.02 H new ATOM 0 HA ASN A 40 -7.538 -5.662 -2.402 1.00 30.54 H new ATOM 0 HB2 ASN A 40 -6.439 -7.577 -1.210 1.00 3.04 H new ATOM 0 HB3 ASN A 40 -5.768 -6.449 -0.048 1.00 3.04 H new ATOM 0 HD21 ASN A 40 -8.603 -7.338 1.907 1.00 32.53 H new ATOM 0 HD22 ASN A 40 -6.875 -7.590 1.639 1.00 32.53 H new ATOM 529 N THR A 41 -5.746 -3.354 -1.140 1.00 41.34 N ATOM 530 CA THR A 41 -5.747 -2.033 -0.525 1.00 54.41 C ATOM 531 C THR A 41 -5.903 -0.938 -1.574 1.00 43.42 C ATOM 532 O THR A 41 -5.766 -1.187 -2.773 1.00 10.25 O ATOM 533 CB THR A 41 -4.454 -1.783 0.273 1.00 22.21 C ATOM 534 OG1 THR A 41 -3.419 -2.660 -0.185 1.00 45.24 O ATOM 535 CG2 THR A 41 -4.686 -1.999 1.761 1.00 41.10 C ATOM 0 H THR A 41 -4.875 -3.599 -1.612 1.00 41.34 H new ATOM 0 HA THR A 41 -6.597 -2.003 0.157 1.00 54.41 H new ATOM 0 HB THR A 41 -4.150 -0.748 0.115 1.00 22.21 H new ATOM 0 HG1 THR A 41 -2.666 -2.633 0.442 1.00 45.24 H new ATOM 0 HG21 THR A 41 -3.759 -1.817 2.304 1.00 41.10 H new ATOM 0 HG22 THR A 41 -5.454 -1.311 2.113 1.00 41.10 H new ATOM 0 HG23 THR A 41 -5.012 -3.025 1.933 1.00 41.10 H new ATOM 543 N THR A 42 -6.189 0.278 -1.117 1.00 24.40 N ATOM 544 CA THR A 42 -6.363 1.411 -2.016 1.00 41.22 C ATOM 545 C THR A 42 -5.047 1.787 -2.689 1.00 34.05 C ATOM 546 O THR A 42 -4.952 1.879 -3.913 1.00 31.14 O ATOM 547 CB THR A 42 -6.915 2.641 -1.270 1.00 64.40 C ATOM 548 OG1 THR A 42 -8.328 2.506 -1.081 1.00 64.14 O ATOM 549 CG2 THR A 42 -6.620 3.919 -2.041 1.00 33.40 C ATOM 0 H THR A 42 -6.305 0.502 -0.129 1.00 24.40 H new ATOM 0 HA THR A 42 -7.081 1.104 -2.776 1.00 41.22 H new ATOM 0 HB THR A 42 -6.424 2.700 -0.299 1.00 64.40 H new ATOM 0 HG1 THR A 42 -8.671 3.291 -0.605 1.00 64.14 H new ATOM 0 HG21 THR A 42 -7.019 4.774 -1.495 1.00 33.40 H new ATOM 0 HG22 THR A 42 -5.542 4.034 -2.157 1.00 33.40 H new ATOM 0 HG23 THR A 42 -7.087 3.867 -3.025 1.00 33.40 H new ATOM 557 N PRO A 43 -4.007 2.009 -1.872 1.00 1.31 N ATOM 558 CA PRO A 43 -2.677 2.378 -2.366 1.00 70.34 C ATOM 559 C PRO A 43 -1.988 1.226 -3.091 1.00 34.15 C ATOM 560 O PRO A 43 -0.940 1.408 -3.710 1.00 73.14 O ATOM 561 CB PRO A 43 -1.912 2.741 -1.091 1.00 74.01 C ATOM 562 CG PRO A 43 -2.599 1.982 -0.009 1.00 22.34 C ATOM 563 CD PRO A 43 -4.048 1.918 -0.403 1.00 35.23 C ATOM 0 HA PRO A 43 -2.723 3.186 -3.096 1.00 70.34 H new ATOM 0 HB2 PRO A 43 -0.861 2.460 -1.166 1.00 74.01 H new ATOM 0 HB3 PRO A 43 -1.943 3.814 -0.903 1.00 74.01 H new ATOM 0 HG2 PRO A 43 -2.178 0.982 0.094 1.00 22.34 H new ATOM 0 HG3 PRO A 43 -2.478 2.479 0.954 1.00 22.34 H new ATOM 0 HD2 PRO A 43 -4.514 0.990 -0.071 1.00 35.23 H new ATOM 0 HD3 PRO A 43 -4.620 2.736 0.034 1.00 35.23 H new ATOM 571 N ASP A 44 -2.584 0.041 -3.008 1.00 43.34 N ATOM 572 CA ASP A 44 -2.028 -1.140 -3.658 1.00 30.44 C ATOM 573 C ASP A 44 -2.522 -1.253 -5.097 1.00 3.44 C ATOM 574 O ASP A 44 -1.774 -1.649 -5.991 1.00 30.34 O ATOM 575 CB ASP A 44 -2.403 -2.401 -2.877 1.00 22.21 C ATOM 576 CG ASP A 44 -1.363 -2.769 -1.837 1.00 43.11 C ATOM 577 OD1 ASP A 44 -0.592 -1.876 -1.427 1.00 0.24 O ATOM 578 OD2 ASP A 44 -1.320 -3.949 -1.433 1.00 20.50 O ATOM 0 H ASP A 44 -3.451 -0.127 -2.498 1.00 43.34 H new ATOM 0 HA ASP A 44 -0.943 -1.039 -3.673 1.00 30.44 H new ATOM 0 HB2 ASP A 44 -3.365 -2.249 -2.387 1.00 22.21 H new ATOM 0 HB3 ASP A 44 -2.527 -3.232 -3.572 1.00 22.21 H new ATOM 583 N ARG A 45 -3.785 -0.902 -5.312 1.00 52.34 N ATOM 584 CA ARG A 45 -4.379 -0.965 -6.642 1.00 74.22 C ATOM 585 C ARG A 45 -3.899 0.195 -7.508 1.00 43.45 C ATOM 586 O ARG A 45 -3.593 0.017 -8.687 1.00 73.22 O ATOM 587 CB ARG A 45 -5.906 -0.944 -6.544 1.00 2.13 C ATOM 588 CG ARG A 45 -6.461 -1.887 -5.489 1.00 12.11 C ATOM 589 CD ARG A 45 -7.438 -2.884 -6.092 1.00 71.11 C ATOM 590 NE ARG A 45 -8.471 -2.226 -6.887 1.00 51.24 N ATOM 591 CZ ARG A 45 -9.381 -2.882 -7.598 1.00 71.24 C ATOM 592 NH1 ARG A 45 -9.386 -4.208 -7.613 1.00 0.01 N ATOM 593 NH2 ARG A 45 -10.289 -2.212 -8.297 1.00 30.34 N ATOM 0 H ARG A 45 -4.417 -0.571 -4.583 1.00 52.34 H new ATOM 0 HA ARG A 45 -4.064 -1.899 -7.108 1.00 74.22 H new ATOM 0 HB2 ARG A 45 -6.233 0.071 -6.320 1.00 2.13 H new ATOM 0 HB3 ARG A 45 -6.328 -1.208 -7.514 1.00 2.13 H new ATOM 0 HG2 ARG A 45 -5.641 -2.423 -5.011 1.00 12.11 H new ATOM 0 HG3 ARG A 45 -6.961 -1.310 -4.711 1.00 12.11 H new ATOM 0 HD2 ARG A 45 -6.894 -3.591 -6.718 1.00 71.11 H new ATOM 0 HD3 ARG A 45 -7.907 -3.460 -5.294 1.00 71.11 H new ATOM 0 HE ARG A 45 -8.495 -1.206 -6.897 1.00 51.24 H new ATOM 0 HH11 ARG A 45 -8.690 -4.727 -7.078 1.00 0.01 H new ATOM 0 HH12 ARG A 45 -10.086 -4.709 -8.160 1.00 0.01 H new ATOM 0 HH21 ARG A 45 -10.288 -1.192 -8.289 1.00 30.34 H new ATOM 0 HH22 ARG A 45 -10.987 -2.717 -8.843 1.00 30.34 H new ATOM 607 N GLN A 46 -3.835 1.383 -6.915 1.00 52.13 N ATOM 608 CA GLN A 46 -3.393 2.572 -7.634 1.00 10.54 C ATOM 609 C GLN A 46 -2.023 2.349 -8.265 1.00 41.01 C ATOM 610 O GLN A 46 -1.826 2.609 -9.452 1.00 21.13 O ATOM 611 CB GLN A 46 -3.343 3.775 -6.689 1.00 64.15 C ATOM 612 CG GLN A 46 -4.685 4.110 -6.059 1.00 25.35 C ATOM 613 CD GLN A 46 -4.551 5.007 -4.844 1.00 42.32 C ATOM 614 OE1 GLN A 46 -3.509 5.032 -4.188 1.00 50.41 O ATOM 615 NE2 GLN A 46 -5.607 5.751 -4.538 1.00 75.11 N ATOM 0 H GLN A 46 -4.083 1.548 -5.939 1.00 52.13 H new ATOM 0 HA GLN A 46 -4.110 2.773 -8.430 1.00 10.54 H new ATOM 0 HB2 GLN A 46 -2.620 3.576 -5.898 1.00 64.15 H new ATOM 0 HB3 GLN A 46 -2.982 4.644 -7.239 1.00 64.15 H new ATOM 0 HG2 GLN A 46 -5.318 4.600 -6.799 1.00 25.35 H new ATOM 0 HG3 GLN A 46 -5.188 3.187 -5.771 1.00 25.35 H new ATOM 0 HE21 GLN A 46 -6.450 5.699 -5.109 1.00 75.11 H new ATOM 0 HE22 GLN A 46 -5.575 6.375 -3.732 1.00 75.11 H new ATOM 624 N ALA A 47 -1.079 1.866 -7.464 1.00 11.12 N ATOM 625 CA ALA A 47 0.272 1.606 -7.945 1.00 1.32 C ATOM 626 C ALA A 47 0.276 0.508 -9.003 1.00 44.41 C ATOM 627 O ALA A 47 0.943 0.627 -10.031 1.00 31.42 O ATOM 628 CB ALA A 47 1.182 1.228 -6.785 1.00 75.22 C ATOM 0 H ALA A 47 -1.225 1.647 -6.479 1.00 11.12 H new ATOM 0 HA ALA A 47 0.649 2.519 -8.405 1.00 1.32 H new ATOM 0 HB1 ALA A 47 2.188 1.037 -7.159 1.00 75.22 H new ATOM 0 HB2 ALA A 47 1.212 2.046 -6.065 1.00 75.22 H new ATOM 0 HB3 ALA A 47 0.799 0.331 -6.299 1.00 75.22 H new ATOM 634 N ALA A 48 -0.471 -0.560 -8.744 1.00 51.52 N ATOM 635 CA ALA A 48 -0.554 -1.678 -9.675 1.00 51.14 C ATOM 636 C ALA A 48 -0.901 -1.198 -11.081 1.00 3.44 C ATOM 637 O ALA A 48 -0.201 -1.509 -12.045 1.00 24.14 O ATOM 638 CB ALA A 48 -1.582 -2.691 -9.193 1.00 42.13 C ATOM 0 H ALA A 48 -1.027 -0.674 -7.897 1.00 51.52 H new ATOM 0 HA ALA A 48 0.423 -2.159 -9.714 1.00 51.14 H new ATOM 0 HB1 ALA A 48 -1.634 -3.521 -9.898 1.00 42.13 H new ATOM 0 HB2 ALA A 48 -1.291 -3.066 -8.212 1.00 42.13 H new ATOM 0 HB3 ALA A 48 -2.559 -2.213 -9.123 1.00 42.13 H new ATOM 644 N CYS A 49 -1.985 -0.438 -11.190 1.00 74.15 N ATOM 645 CA CYS A 49 -2.426 0.085 -12.478 1.00 73.30 C ATOM 646 C CYS A 49 -1.409 1.073 -13.041 1.00 13.42 C ATOM 647 O CYS A 49 -0.908 0.899 -14.150 1.00 44.24 O ATOM 648 CB CYS A 49 -3.790 0.764 -12.336 1.00 61.13 C ATOM 649 SG CYS A 49 -4.452 1.435 -13.895 1.00 45.51 S ATOM 0 H CYS A 49 -2.575 -0.170 -10.402 1.00 74.15 H new ATOM 0 HA CYS A 49 -2.515 -0.752 -13.171 1.00 73.30 H new ATOM 0 HB2 CYS A 49 -4.502 0.045 -11.931 1.00 61.13 H new ATOM 0 HB3 CYS A 49 -3.707 1.573 -11.611 1.00 61.13 H new ATOM 654 N ASN A 50 -1.110 2.111 -12.266 1.00 53.34 N ATOM 655 CA ASN A 50 -0.153 3.128 -12.687 1.00 54.42 C ATOM 656 C ASN A 50 1.143 2.488 -13.173 1.00 22.43 C ATOM 657 O ASN A 50 1.841 3.040 -14.024 1.00 75.45 O ATOM 658 CB ASN A 50 0.140 4.090 -11.534 1.00 44.11 C ATOM 659 CG ASN A 50 -1.096 4.840 -11.078 1.00 0.34 C ATOM 660 OD1 ASN A 50 -1.120 5.224 -9.806 1.00 4.40 O flip ATOM 661 ND2 ASN A 50 -2.019 5.072 -11.859 1.00 65.34 N flip ATOM 0 H ASN A 50 -1.516 2.270 -11.344 1.00 53.34 H new ATOM 0 HA ASN A 50 -0.593 3.686 -13.514 1.00 54.42 H new ATOM 0 HB2 ASN A 50 0.553 3.531 -10.694 1.00 44.11 H new ATOM 0 HB3 ASN A 50 0.901 4.805 -11.846 1.00 44.11 H new ATOM 0 HD21 ASN A 50 -1.958 4.758 -12.828 1.00 65.34 H new ATOM 0 HD22 ASN A 50 -2.844 5.578 -11.537 1.00 65.34 H new ATOM 668 N CYS A 51 1.460 1.319 -12.626 1.00 23.15 N ATOM 669 CA CYS A 51 2.672 0.602 -13.002 1.00 24.42 C ATOM 670 C CYS A 51 2.544 0.016 -14.405 1.00 65.01 C ATOM 671 O CYS A 51 3.377 0.273 -15.276 1.00 2.25 O ATOM 672 CB CYS A 51 2.963 -0.514 -11.996 1.00 74.31 C ATOM 673 SG CYS A 51 4.014 -0.002 -10.600 1.00 4.12 S ATOM 0 H CYS A 51 0.894 0.848 -11.920 1.00 23.15 H new ATOM 0 HA CYS A 51 3.500 1.311 -12.997 1.00 24.42 H new ATOM 0 HB2 CYS A 51 2.018 -0.892 -11.606 1.00 74.31 H new ATOM 0 HB3 CYS A 51 3.446 -1.341 -12.517 1.00 74.31 H new ATOM 678 N LEU A 52 1.496 -0.772 -14.618 1.00 25.12 N ATOM 679 CA LEU A 52 1.258 -1.395 -15.915 1.00 42.44 C ATOM 680 C LEU A 52 0.962 -0.342 -16.978 1.00 51.44 C ATOM 681 O LEU A 52 1.568 -0.338 -18.050 1.00 53.32 O ATOM 682 CB LEU A 52 0.095 -2.384 -15.823 1.00 11.43 C ATOM 683 CG LEU A 52 0.371 -3.675 -15.051 1.00 43.44 C ATOM 684 CD1 LEU A 52 -0.906 -4.483 -14.889 1.00 34.23 C ATOM 685 CD2 LEU A 52 1.440 -4.498 -15.755 1.00 72.14 C ATOM 0 H LEU A 52 0.797 -0.995 -13.909 1.00 25.12 H new ATOM 0 HA LEU A 52 2.161 -1.933 -16.203 1.00 42.44 H new ATOM 0 HB2 LEU A 52 -0.750 -1.878 -15.355 1.00 11.43 H new ATOM 0 HB3 LEU A 52 -0.212 -2.648 -16.835 1.00 11.43 H new ATOM 0 HG LEU A 52 0.738 -3.412 -14.059 1.00 43.44 H new ATOM 0 HD11 LEU A 52 -0.690 -5.398 -14.337 1.00 34.23 H new ATOM 0 HD12 LEU A 52 -1.642 -3.894 -14.341 1.00 34.23 H new ATOM 0 HD13 LEU A 52 -1.303 -4.737 -15.872 1.00 34.23 H new ATOM 0 HD21 LEU A 52 1.624 -5.413 -15.192 1.00 72.14 H new ATOM 0 HD22 LEU A 52 1.101 -4.752 -16.759 1.00 72.14 H new ATOM 0 HD23 LEU A 52 2.362 -3.919 -15.818 1.00 72.14 H new ATOM 697 N LYS A 53 0.027 0.552 -16.674 1.00 3.42 N ATOM 698 CA LYS A 53 -0.348 1.614 -17.600 1.00 71.34 C ATOM 699 C LYS A 53 0.889 2.306 -18.164 1.00 55.31 C ATOM 700 O LYS A 53 1.080 2.364 -19.379 1.00 14.32 O ATOM 701 CB LYS A 53 -1.244 2.637 -16.900 1.00 12.42 C ATOM 702 CG LYS A 53 -2.647 2.715 -17.478 1.00 65.02 C ATOM 703 CD LYS A 53 -3.563 3.559 -16.608 1.00 22.31 C ATOM 704 CE LYS A 53 -3.414 5.041 -16.915 1.00 21.11 C ATOM 705 NZ LYS A 53 -2.384 5.685 -16.054 1.00 24.10 N ATOM 0 H LYS A 53 -0.486 0.562 -15.792 1.00 3.42 H new ATOM 0 HA LYS A 53 -0.899 1.164 -18.426 1.00 71.34 H new ATOM 0 HB2 LYS A 53 -1.310 2.385 -15.841 1.00 12.42 H new ATOM 0 HB3 LYS A 53 -0.778 3.620 -16.966 1.00 12.42 H new ATOM 0 HG2 LYS A 53 -2.605 3.139 -18.481 1.00 65.02 H new ATOM 0 HG3 LYS A 53 -3.059 1.710 -17.573 1.00 65.02 H new ATOM 0 HD2 LYS A 53 -4.598 3.256 -16.766 1.00 22.31 H new ATOM 0 HD3 LYS A 53 -3.336 3.379 -15.557 1.00 22.31 H new ATOM 0 HE2 LYS A 53 -3.143 5.169 -17.963 1.00 21.11 H new ATOM 0 HE3 LYS A 53 -4.372 5.540 -16.770 1.00 21.11 H new ATOM 0 HZ1 LYS A 53 -2.824 6.444 -15.496 1.00 24.10 H new ATOM 0 HZ2 LYS A 53 -1.975 4.976 -15.413 1.00 24.10 H new ATOM 0 HZ3 LYS A 53 -1.633 6.085 -16.652 1.00 24.10 H new ATOM 719 N SER A 54 1.726 2.829 -17.274 1.00 51.00 N ATOM 720 CA SER A 54 2.943 3.520 -17.683 1.00 62.33 C ATOM 721 C SER A 54 3.792 2.634 -18.590 1.00 71.51 C ATOM 722 O SER A 54 4.268 3.073 -19.637 1.00 34.44 O ATOM 723 CB SER A 54 3.755 3.938 -16.456 1.00 13.22 C ATOM 724 OG SER A 54 4.998 4.503 -16.835 1.00 12.44 O ATOM 0 H SER A 54 1.584 2.787 -16.265 1.00 51.00 H new ATOM 0 HA SER A 54 2.655 4.411 -18.240 1.00 62.33 H new ATOM 0 HB2 SER A 54 3.187 4.660 -15.869 1.00 13.22 H new ATOM 0 HB3 SER A 54 3.926 3.072 -15.817 1.00 13.22 H new ATOM 0 HG SER A 54 5.497 4.763 -16.033 1.00 12.44 H new ATOM 730 N ALA A 55 3.977 1.383 -18.180 1.00 10.12 N ATOM 731 CA ALA A 55 4.766 0.434 -18.955 1.00 30.32 C ATOM 732 C ALA A 55 4.105 0.136 -20.296 1.00 53.33 C ATOM 733 O ALA A 55 4.767 -0.276 -21.248 1.00 4.32 O ATOM 734 CB ALA A 55 4.967 -0.852 -18.167 1.00 25.31 C ATOM 0 H ALA A 55 3.591 1.004 -17.315 1.00 10.12 H new ATOM 0 HA ALA A 55 5.739 0.884 -19.151 1.00 30.32 H new ATOM 0 HB1 ALA A 55 5.558 -1.552 -18.758 1.00 25.31 H new ATOM 0 HB2 ALA A 55 5.490 -0.631 -17.237 1.00 25.31 H new ATOM 0 HB3 ALA A 55 3.997 -1.296 -17.942 1.00 25.31 H new ATOM 740 N ALA A 56 2.794 0.347 -20.364 1.00 43.35 N ATOM 741 CA ALA A 56 2.044 0.103 -21.590 1.00 70.10 C ATOM 742 C ALA A 56 2.293 1.204 -22.615 1.00 43.01 C ATOM 743 O ALA A 56 2.298 0.955 -23.820 1.00 30.42 O ATOM 744 CB ALA A 56 0.558 -0.010 -21.285 1.00 74.41 C ATOM 0 H ALA A 56 2.230 0.686 -19.585 1.00 43.35 H new ATOM 0 HA ALA A 56 2.389 -0.839 -22.017 1.00 70.10 H new ATOM 0 HB1 ALA A 56 0.010 -0.192 -22.209 1.00 74.41 H new ATOM 0 HB2 ALA A 56 0.390 -0.837 -20.595 1.00 74.41 H new ATOM 0 HB3 ALA A 56 0.208 0.918 -20.832 1.00 74.41 H new ATOM 750 N GLY A 57 2.500 2.424 -22.128 1.00 54.12 N ATOM 751 CA GLY A 57 2.746 3.545 -23.016 1.00 52.22 C ATOM 752 C GLY A 57 3.957 3.329 -23.901 1.00 62.22 C ATOM 753 O GLY A 57 4.070 3.931 -24.969 1.00 2.23 O ATOM 0 H GLY A 57 2.502 2.656 -21.135 1.00 54.12 H new ATOM 0 HA2 GLY A 57 1.868 3.709 -23.641 1.00 52.22 H new ATOM 0 HA3 GLY A 57 2.889 4.449 -22.424 1.00 52.22 H new ATOM 757 N SER A 58 4.867 2.467 -23.457 1.00 13.44 N ATOM 758 CA SER A 58 6.079 2.177 -24.213 1.00 50.23 C ATOM 759 C SER A 58 5.867 0.987 -25.143 1.00 73.44 C ATOM 760 O SER A 58 6.795 0.539 -25.818 1.00 55.33 O ATOM 761 CB SER A 58 7.244 1.895 -23.262 1.00 73.24 C ATOM 762 OG SER A 58 7.239 0.543 -22.838 1.00 23.21 O ATOM 0 H SER A 58 4.787 1.957 -22.577 1.00 13.44 H new ATOM 0 HA SER A 58 6.318 3.051 -24.819 1.00 50.23 H new ATOM 0 HB2 SER A 58 8.187 2.120 -23.760 1.00 73.24 H new ATOM 0 HB3 SER A 58 7.177 2.552 -22.395 1.00 73.24 H new ATOM 0 HG SER A 58 6.425 0.365 -22.322 1.00 23.21 H new ATOM 768 N ILE A 59 4.639 0.478 -25.173 1.00 4.41 N ATOM 769 CA ILE A 59 4.304 -0.659 -26.020 1.00 63.23 C ATOM 770 C ILE A 59 3.479 -0.222 -27.226 1.00 20.51 C ATOM 771 O ILE A 59 2.551 0.577 -27.101 1.00 10.41 O ATOM 772 CB ILE A 59 3.523 -1.732 -25.239 1.00 62.32 C ATOM 773 CG1 ILE A 59 4.121 -1.914 -23.842 1.00 53.43 C ATOM 774 CG2 ILE A 59 3.530 -3.050 -25.999 1.00 74.31 C ATOM 775 CD1 ILE A 59 3.428 -2.980 -23.023 1.00 2.45 C ATOM 0 H ILE A 59 3.860 0.836 -24.620 1.00 4.41 H new ATOM 0 HA ILE A 59 5.247 -1.085 -26.363 1.00 63.23 H new ATOM 0 HB ILE A 59 2.490 -1.402 -25.131 1.00 62.32 H new ATOM 0 HG12 ILE A 59 5.176 -2.169 -23.938 1.00 53.43 H new ATOM 0 HG13 ILE A 59 4.070 -0.966 -23.307 1.00 53.43 H new ATOM 0 HG21 ILE A 59 2.974 -3.799 -25.434 1.00 74.31 H new ATOM 0 HG22 ILE A 59 3.063 -2.910 -26.974 1.00 74.31 H new ATOM 0 HG23 ILE A 59 4.558 -3.387 -26.134 1.00 74.31 H new ATOM 0 HD11 ILE A 59 3.904 -3.055 -22.045 1.00 2.45 H new ATOM 0 HD12 ILE A 59 2.378 -2.716 -22.896 1.00 2.45 H new ATOM 0 HD13 ILE A 59 3.502 -3.939 -23.536 1.00 2.45 H new ATOM 787 N THR A 60 3.822 -0.754 -28.395 1.00 72.41 N ATOM 788 CA THR A 60 3.113 -0.421 -29.624 1.00 12.31 C ATOM 789 C THR A 60 2.134 -1.523 -30.011 1.00 31.43 C ATOM 790 O THR A 60 1.110 -1.265 -30.644 1.00 64.44 O ATOM 791 CB THR A 60 4.091 -0.186 -30.791 1.00 12.44 C ATOM 792 OG1 THR A 60 3.429 0.511 -31.852 1.00 54.10 O ATOM 793 CG2 THR A 60 4.641 -1.505 -31.309 1.00 65.44 C ATOM 0 H THR A 60 4.587 -1.418 -28.516 1.00 72.41 H new ATOM 0 HA THR A 60 2.562 0.499 -29.430 1.00 12.31 H new ATOM 0 HB THR A 60 4.922 0.417 -30.424 1.00 12.44 H new ATOM 0 HG1 THR A 60 4.058 0.658 -32.589 1.00 54.10 H new ATOM 0 HG21 THR A 60 5.329 -1.314 -32.133 1.00 65.44 H new ATOM 0 HG22 THR A 60 5.170 -2.019 -30.506 1.00 65.44 H new ATOM 0 HG23 THR A 60 3.819 -2.129 -31.660 1.00 65.44 H new ATOM 801 N LYS A 61 2.454 -2.754 -29.625 1.00 33.00 N ATOM 802 CA LYS A 61 1.602 -3.897 -29.929 1.00 73.42 C ATOM 803 C LYS A 61 0.604 -4.148 -28.803 1.00 4.05 C ATOM 804 O LYS A 61 -0.034 -5.200 -28.748 1.00 14.34 O ATOM 805 CB LYS A 61 2.454 -5.148 -30.158 1.00 14.10 C ATOM 806 CG LYS A 61 3.468 -4.996 -31.278 1.00 24.11 C ATOM 807 CD LYS A 61 3.833 -6.340 -31.886 1.00 54.14 C ATOM 808 CE LYS A 61 4.422 -6.180 -33.279 1.00 50.34 C ATOM 809 NZ LYS A 61 4.269 -7.418 -34.092 1.00 55.24 N ATOM 0 H LYS A 61 3.298 -2.985 -29.101 1.00 33.00 H new ATOM 0 HA LYS A 61 1.046 -3.671 -30.839 1.00 73.42 H new ATOM 0 HB2 LYS A 61 2.979 -5.394 -29.235 1.00 14.10 H new ATOM 0 HB3 LYS A 61 1.798 -5.988 -30.385 1.00 14.10 H new ATOM 0 HG2 LYS A 61 3.062 -4.344 -32.051 1.00 24.11 H new ATOM 0 HG3 LYS A 61 4.367 -4.513 -30.894 1.00 24.11 H new ATOM 0 HD2 LYS A 61 4.551 -6.849 -31.243 1.00 54.14 H new ATOM 0 HD3 LYS A 61 2.946 -6.971 -31.935 1.00 54.14 H new ATOM 0 HE2 LYS A 61 3.932 -5.349 -33.787 1.00 50.34 H new ATOM 0 HE3 LYS A 61 5.479 -5.926 -33.199 1.00 50.34 H new ATOM 0 HZ1 LYS A 61 4.683 -7.268 -35.034 1.00 55.24 H new ATOM 0 HZ2 LYS A 61 4.758 -8.206 -33.620 1.00 55.24 H new ATOM 0 HZ3 LYS A 61 3.259 -7.646 -34.190 1.00 55.24 H new ATOM 823 N LEU A 62 0.475 -3.176 -27.907 1.00 14.24 N ATOM 824 CA LEU A 62 -0.447 -3.290 -26.781 1.00 62.34 C ATOM 825 C LEU A 62 -1.893 -3.334 -27.264 1.00 70.22 C ATOM 826 O LEU A 62 -2.352 -2.432 -27.964 1.00 64.52 O ATOM 827 CB LEU A 62 -0.254 -2.118 -25.818 1.00 32.13 C ATOM 828 CG LEU A 62 -1.258 -2.023 -24.668 1.00 5.42 C ATOM 829 CD1 LEU A 62 -0.896 -3.002 -23.562 1.00 15.13 C ATOM 830 CD2 LEU A 62 -1.315 -0.601 -24.127 1.00 30.52 C ATOM 0 H LEU A 62 0.997 -2.300 -27.938 1.00 14.24 H new ATOM 0 HA LEU A 62 -0.230 -4.221 -26.258 1.00 62.34 H new ATOM 0 HB2 LEU A 62 0.748 -2.183 -25.395 1.00 32.13 H new ATOM 0 HB3 LEU A 62 -0.299 -1.192 -26.391 1.00 32.13 H new ATOM 0 HG LEU A 62 -2.245 -2.286 -25.049 1.00 5.42 H new ATOM 0 HD11 LEU A 62 -1.621 -2.920 -22.752 1.00 15.13 H new ATOM 0 HD12 LEU A 62 -0.906 -4.018 -23.957 1.00 15.13 H new ATOM 0 HD13 LEU A 62 0.099 -2.770 -23.183 1.00 15.13 H new ATOM 0 HD21 LEU A 62 -2.034 -0.551 -23.309 1.00 30.52 H new ATOM 0 HD22 LEU A 62 -0.330 -0.311 -23.762 1.00 30.52 H new ATOM 0 HD23 LEU A 62 -1.622 0.079 -24.922 1.00 30.52 H new ATOM 842 N ASN A 63 -2.607 -4.389 -26.883 1.00 41.51 N ATOM 843 CA ASN A 63 -4.002 -4.549 -27.276 1.00 33.22 C ATOM 844 C ASN A 63 -4.934 -4.262 -26.102 1.00 71.14 C ATOM 845 O ASN A 63 -5.275 -5.160 -25.331 1.00 53.23 O ATOM 846 CB ASN A 63 -4.246 -5.965 -27.801 1.00 32.53 C ATOM 847 CG ASN A 63 -3.619 -6.193 -29.162 1.00 62.54 C ATOM 848 OD1 ASN A 63 -2.402 -6.098 -29.321 1.00 63.42 O ATOM 849 ND2 ASN A 63 -4.450 -6.496 -30.153 1.00 43.12 N ATOM 0 H ASN A 63 -2.243 -5.145 -26.303 1.00 41.51 H new ATOM 0 HA ASN A 63 -4.215 -3.833 -28.070 1.00 33.22 H new ATOM 0 HB2 ASN A 63 -3.841 -6.687 -27.092 1.00 32.53 H new ATOM 0 HB3 ASN A 63 -5.319 -6.147 -27.863 1.00 32.53 H new ATOM 0 HD21 ASN A 63 -4.086 -6.661 -31.092 1.00 43.12 H new ATOM 0 HD22 ASN A 63 -5.452 -6.564 -29.975 1.00 43.12 H new ATOM 856 N THR A 64 -5.344 -3.004 -25.973 1.00 42.10 N ATOM 857 CA THR A 64 -6.236 -2.598 -24.894 1.00 45.42 C ATOM 858 C THR A 64 -7.466 -3.496 -24.830 1.00 4.30 C ATOM 859 O THR A 64 -8.057 -3.679 -23.767 1.00 10.21 O ATOM 860 CB THR A 64 -6.690 -1.135 -25.062 1.00 23.35 C ATOM 861 OG1 THR A 64 -7.519 -1.009 -26.222 1.00 64.54 O ATOM 862 CG2 THR A 64 -5.491 -0.207 -25.185 1.00 61.11 C ATOM 0 H THR A 64 -5.072 -2.249 -26.602 1.00 42.10 H new ATOM 0 HA THR A 64 -5.673 -2.692 -23.965 1.00 45.42 H new ATOM 0 HB THR A 64 -7.260 -0.851 -24.177 1.00 23.35 H new ATOM 0 HG1 THR A 64 -7.804 -0.077 -26.320 1.00 64.54 H new ATOM 0 HG21 THR A 64 -5.836 0.820 -25.303 1.00 61.11 H new ATOM 0 HG22 THR A 64 -4.878 -0.283 -24.287 1.00 61.11 H new ATOM 0 HG23 THR A 64 -4.898 -0.492 -26.054 1.00 61.11 H new ATOM 870 N ASN A 65 -7.845 -4.054 -25.975 1.00 33.23 N ATOM 871 CA ASN A 65 -9.006 -4.934 -26.048 1.00 30.22 C ATOM 872 C ASN A 65 -8.780 -6.202 -25.230 1.00 63.21 C ATOM 873 O ASN A 65 -9.671 -6.660 -24.517 1.00 12.04 O ATOM 874 CB ASN A 65 -9.305 -5.299 -27.503 1.00 64.04 C ATOM 875 CG ASN A 65 -10.265 -4.325 -28.158 1.00 45.24 C ATOM 876 OD1 ASN A 65 -11.425 -4.651 -28.406 1.00 34.51 O ATOM 877 ND2 ASN A 65 -9.783 -3.120 -28.443 1.00 24.52 N ATOM 0 H ASN A 65 -7.366 -3.913 -26.864 1.00 33.23 H new ATOM 0 HA ASN A 65 -9.861 -4.401 -25.631 1.00 30.22 H new ATOM 0 HB2 ASN A 65 -8.373 -5.322 -28.068 1.00 64.04 H new ATOM 0 HB3 ASN A 65 -9.727 -6.303 -27.543 1.00 64.04 H new ATOM 0 HD21 ASN A 65 -10.382 -2.423 -28.885 1.00 24.52 H new ATOM 0 HD22 ASN A 65 -8.814 -2.892 -28.220 1.00 24.52 H new ATOM 884 N ASN A 66 -7.580 -6.764 -25.339 1.00 72.04 N ATOM 885 CA ASN A 66 -7.236 -7.979 -24.610 1.00 71.32 C ATOM 886 C ASN A 66 -6.974 -7.675 -23.138 1.00 50.24 C ATOM 887 O ASN A 66 -7.034 -8.564 -22.290 1.00 25.11 O ATOM 888 CB ASN A 66 -6.005 -8.641 -25.233 1.00 31.23 C ATOM 889 CG ASN A 66 -6.299 -9.246 -26.592 1.00 10.00 C ATOM 890 OD1 ASN A 66 -5.420 -8.993 -27.555 1.00 14.21 O flip ATOM 891 ND2 ASN A 66 -7.304 -9.933 -26.774 1.00 1.14 N flip ATOM 0 H ASN A 66 -6.830 -6.397 -25.925 1.00 72.04 H new ATOM 0 HA ASN A 66 -8.081 -8.664 -24.676 1.00 71.32 H new ATOM 0 HB2 ASN A 66 -5.210 -7.902 -25.332 1.00 31.23 H new ATOM 0 HB3 ASN A 66 -5.637 -9.419 -24.564 1.00 31.23 H new ATOM 0 HD21 ASN A 66 -7.953 -10.102 -26.005 1.00 1.14 H new ATOM 0 HD22 ASN A 66 -7.488 -10.334 -27.694 1.00 1.14 H new ATOM 898 N ALA A 67 -6.684 -6.412 -22.844 1.00 14.43 N ATOM 899 CA ALA A 67 -6.416 -5.989 -21.475 1.00 0.12 C ATOM 900 C ALA A 67 -7.702 -5.923 -20.658 1.00 72.13 C ATOM 901 O ALA A 67 -7.719 -6.276 -19.480 1.00 30.44 O ATOM 902 CB ALA A 67 -5.714 -4.639 -21.467 1.00 51.13 C ATOM 0 H ALA A 67 -6.629 -5.664 -23.535 1.00 14.43 H new ATOM 0 HA ALA A 67 -5.762 -6.729 -21.015 1.00 0.12 H new ATOM 0 HB1 ALA A 67 -5.520 -4.336 -20.438 1.00 51.13 H new ATOM 0 HB2 ALA A 67 -4.770 -4.717 -22.006 1.00 51.13 H new ATOM 0 HB3 ALA A 67 -6.348 -3.896 -21.951 1.00 51.13 H new ATOM 908 N ALA A 68 -8.778 -5.468 -21.293 1.00 4.23 N ATOM 909 CA ALA A 68 -10.069 -5.357 -20.625 1.00 24.10 C ATOM 910 C ALA A 68 -10.723 -6.725 -20.464 1.00 62.24 C ATOM 911 O ALA A 68 -11.350 -7.008 -19.444 1.00 51.31 O ATOM 912 CB ALA A 68 -10.984 -4.420 -21.398 1.00 51.34 C ATOM 0 H ALA A 68 -8.781 -5.171 -22.269 1.00 4.23 H new ATOM 0 HA ALA A 68 -9.901 -4.944 -19.630 1.00 24.10 H new ATOM 0 HB1 ALA A 68 -11.944 -4.347 -20.888 1.00 51.34 H new ATOM 0 HB2 ALA A 68 -10.528 -3.432 -21.456 1.00 51.34 H new ATOM 0 HB3 ALA A 68 -11.137 -4.809 -22.405 1.00 51.34 H new ATOM 918 N ALA A 69 -10.573 -7.570 -21.479 1.00 25.52 N ATOM 919 CA ALA A 69 -11.148 -8.909 -21.449 1.00 62.50 C ATOM 920 C ALA A 69 -10.214 -9.893 -20.752 1.00 1.23 C ATOM 921 O ALA A 69 -10.597 -11.025 -20.454 1.00 55.12 O ATOM 922 CB ALA A 69 -11.456 -9.383 -22.862 1.00 13.13 C ATOM 0 H ALA A 69 -10.058 -7.351 -22.332 1.00 25.52 H new ATOM 0 HA ALA A 69 -12.077 -8.865 -20.881 1.00 62.50 H new ATOM 0 HB1 ALA A 69 -11.885 -10.384 -22.824 1.00 13.13 H new ATOM 0 HB2 ALA A 69 -12.167 -8.701 -23.328 1.00 13.13 H new ATOM 0 HB3 ALA A 69 -10.537 -9.404 -23.447 1.00 13.13 H new ATOM 928 N LEU A 70 -8.987 -9.454 -20.494 1.00 24.51 N ATOM 929 CA LEU A 70 -7.997 -10.297 -19.831 1.00 42.25 C ATOM 930 C LEU A 70 -8.527 -10.814 -18.498 1.00 5.43 C ATOM 931 O LEU A 70 -8.636 -12.019 -18.270 1.00 41.41 O ATOM 932 CB LEU A 70 -6.700 -9.516 -19.610 1.00 60.22 C ATOM 933 CG LEU A 70 -5.869 -9.927 -18.394 1.00 45.24 C ATOM 934 CD1 LEU A 70 -5.471 -11.392 -18.489 1.00 54.34 C ATOM 935 CD2 LEU A 70 -4.635 -9.045 -18.270 1.00 2.24 C ATOM 0 H LEU A 70 -8.654 -8.520 -20.733 1.00 24.51 H new ATOM 0 HA LEU A 70 -7.794 -11.152 -20.475 1.00 42.25 H new ATOM 0 HB2 LEU A 70 -6.080 -9.620 -20.501 1.00 60.22 H new ATOM 0 HB3 LEU A 70 -6.947 -8.459 -19.516 1.00 60.22 H new ATOM 0 HG LEU A 70 -6.478 -9.795 -17.500 1.00 45.24 H new ATOM 0 HD11 LEU A 70 -4.880 -11.666 -17.615 1.00 54.34 H new ATOM 0 HD12 LEU A 70 -6.367 -12.011 -18.530 1.00 54.34 H new ATOM 0 HD13 LEU A 70 -4.880 -11.551 -19.391 1.00 54.34 H new ATOM 0 HD21 LEU A 70 -4.055 -9.351 -17.399 1.00 2.24 H new ATOM 0 HD22 LEU A 70 -4.024 -9.146 -19.167 1.00 2.24 H new ATOM 0 HD23 LEU A 70 -4.941 -8.005 -18.155 1.00 2.24 H new ATOM 947 N PRO A 71 -8.866 -9.882 -17.594 1.00 43.14 N ATOM 948 CA PRO A 71 -9.393 -10.219 -16.269 1.00 24.32 C ATOM 949 C PRO A 71 -10.798 -10.807 -16.336 1.00 13.51 C ATOM 950 O PRO A 71 -11.204 -11.572 -15.462 1.00 51.14 O ATOM 951 CB PRO A 71 -9.410 -8.873 -15.541 1.00 3.04 C ATOM 952 CG PRO A 71 -9.511 -7.857 -16.625 1.00 43.14 C ATOM 953 CD PRO A 71 -8.762 -8.427 -17.798 1.00 24.20 C ATOM 0 HA PRO A 71 -8.791 -10.980 -15.772 1.00 24.32 H new ATOM 0 HB2 PRO A 71 -10.254 -8.805 -14.855 1.00 3.04 H new ATOM 0 HB3 PRO A 71 -8.506 -8.732 -14.949 1.00 3.04 H new ATOM 0 HG2 PRO A 71 -10.552 -7.664 -16.883 1.00 43.14 H new ATOM 0 HG3 PRO A 71 -9.079 -6.907 -16.311 1.00 43.14 H new ATOM 0 HD2 PRO A 71 -9.206 -8.121 -18.745 1.00 24.20 H new ATOM 0 HD3 PRO A 71 -7.724 -8.096 -17.811 1.00 24.20 H new ATOM 961 N GLY A 72 -11.538 -10.443 -17.380 1.00 25.14 N ATOM 962 CA GLY A 72 -12.890 -10.944 -17.541 1.00 40.11 C ATOM 963 C GLY A 72 -12.923 -12.408 -17.931 1.00 72.33 C ATOM 964 O GLY A 72 -13.643 -13.204 -17.327 1.00 53.44 O ATOM 0 H GLY A 72 -11.225 -9.810 -18.116 1.00 25.14 H new ATOM 0 HA2 GLY A 72 -13.438 -10.807 -16.609 1.00 40.11 H new ATOM 0 HA3 GLY A 72 -13.404 -10.357 -18.302 1.00 40.11 H new ATOM 968 N LYS A 73 -12.143 -12.766 -18.946 1.00 31.55 N ATOM 969 CA LYS A 73 -12.085 -14.145 -19.417 1.00 54.12 C ATOM 970 C LYS A 73 -11.497 -15.061 -18.349 1.00 61.32 C ATOM 971 O LYS A 73 -11.679 -16.278 -18.392 1.00 32.42 O ATOM 972 CB LYS A 73 -11.250 -14.233 -20.697 1.00 34.33 C ATOM 973 CG LYS A 73 -12.065 -14.062 -21.967 1.00 63.34 C ATOM 974 CD LYS A 73 -11.207 -13.559 -23.116 1.00 3.41 C ATOM 975 CE LYS A 73 -12.026 -12.751 -24.111 1.00 61.21 C ATOM 976 NZ LYS A 73 -12.902 -13.621 -24.943 1.00 73.23 N ATOM 0 H LYS A 73 -11.542 -12.120 -19.458 1.00 31.55 H new ATOM 0 HA LYS A 73 -13.102 -14.473 -19.631 1.00 54.12 H new ATOM 0 HB2 LYS A 73 -10.474 -13.469 -20.668 1.00 34.33 H new ATOM 0 HB3 LYS A 73 -10.745 -15.199 -20.726 1.00 34.33 H new ATOM 0 HG2 LYS A 73 -12.519 -15.015 -22.240 1.00 63.34 H new ATOM 0 HG3 LYS A 73 -12.880 -13.361 -21.786 1.00 63.34 H new ATOM 0 HD2 LYS A 73 -10.397 -12.943 -22.724 1.00 3.41 H new ATOM 0 HD3 LYS A 73 -10.746 -14.405 -23.625 1.00 3.41 H new ATOM 0 HE2 LYS A 73 -12.638 -12.026 -23.574 1.00 61.21 H new ATOM 0 HE3 LYS A 73 -11.356 -12.185 -24.758 1.00 61.21 H new ATOM 0 HZ1 LYS A 73 -13.444 -13.033 -25.608 1.00 73.23 H new ATOM 0 HZ2 LYS A 73 -12.316 -14.296 -25.475 1.00 73.23 H new ATOM 0 HZ3 LYS A 73 -13.559 -14.142 -24.328 1.00 73.23 H new ATOM 990 N CYS A 74 -10.792 -14.469 -17.391 1.00 65.23 N ATOM 991 CA CYS A 74 -10.177 -15.231 -16.311 1.00 60.42 C ATOM 992 C CYS A 74 -11.100 -15.296 -15.098 1.00 22.04 C ATOM 993 O CYS A 74 -10.661 -15.589 -13.986 1.00 75.21 O ATOM 994 CB CYS A 74 -8.838 -14.606 -15.915 1.00 12.20 C ATOM 995 SG CYS A 74 -7.555 -14.717 -17.203 1.00 71.33 S ATOM 0 H CYS A 74 -10.632 -13.463 -17.341 1.00 65.23 H new ATOM 0 HA CYS A 74 -10.004 -16.246 -16.669 1.00 60.42 H new ATOM 0 HB2 CYS A 74 -8.998 -13.557 -15.667 1.00 12.20 H new ATOM 0 HB3 CYS A 74 -8.474 -15.095 -15.012 1.00 12.20 H new ATOM 1000 N GLY A 75 -12.381 -15.020 -15.320 1.00 34.00 N ATOM 1001 CA GLY A 75 -13.346 -15.052 -14.236 1.00 70.23 C ATOM 1002 C GLY A 75 -12.950 -14.155 -13.081 1.00 11.43 C ATOM 1003 O GLY A 75 -12.598 -14.636 -12.004 1.00 13.35 O ATOM 0 H GLY A 75 -12.768 -14.775 -16.231 1.00 34.00 H new ATOM 0 HA2 GLY A 75 -14.321 -14.745 -14.613 1.00 70.23 H new ATOM 0 HA3 GLY A 75 -13.451 -16.076 -13.877 1.00 70.23 H new ATOM 1007 N VAL A 76 -13.005 -12.845 -13.304 1.00 74.54 N ATOM 1008 CA VAL A 76 -12.649 -11.878 -12.273 1.00 71.04 C ATOM 1009 C VAL A 76 -13.619 -10.702 -12.265 1.00 43.52 C ATOM 1010 O VAL A 76 -14.134 -10.301 -13.308 1.00 63.42 O ATOM 1011 CB VAL A 76 -11.217 -11.347 -12.473 1.00 21.45 C ATOM 1012 CG1 VAL A 76 -10.783 -10.519 -11.273 1.00 25.31 C ATOM 1013 CG2 VAL A 76 -10.252 -12.498 -12.714 1.00 63.11 C ATOM 0 H VAL A 76 -13.293 -12.430 -14.190 1.00 74.54 H new ATOM 0 HA VAL A 76 -12.705 -12.398 -11.317 1.00 71.04 H new ATOM 0 HB VAL A 76 -11.205 -10.703 -13.352 1.00 21.45 H new ATOM 0 HG11 VAL A 76 -9.769 -10.152 -11.432 1.00 25.31 H new ATOM 0 HG12 VAL A 76 -11.460 -9.673 -11.150 1.00 25.31 H new ATOM 0 HG13 VAL A 76 -10.809 -11.137 -10.376 1.00 25.31 H new ATOM 0 HG21 VAL A 76 -9.245 -12.105 -12.853 1.00 63.11 H new ATOM 0 HG22 VAL A 76 -10.264 -13.169 -11.855 1.00 63.11 H new ATOM 0 HG23 VAL A 76 -10.555 -13.046 -13.607 1.00 63.11 H new ATOM 1132 N SER A 83 -10.105 1.168 -19.134 1.00 23.35 N ATOM 1133 CA SER A 83 -9.570 2.187 -20.029 1.00 63.51 C ATOM 1134 C SER A 83 -8.368 2.885 -19.401 1.00 3.13 C ATOM 1135 O SER A 83 -8.442 3.387 -18.278 1.00 71.34 O ATOM 1136 CB SER A 83 -10.650 3.214 -20.370 1.00 54.32 C ATOM 1137 OG SER A 83 -10.272 4.001 -21.486 1.00 61.15 O ATOM 0 HA SER A 83 -9.244 1.695 -20.946 1.00 63.51 H new ATOM 0 HB2 SER A 83 -11.588 2.702 -20.583 1.00 54.32 H new ATOM 0 HB3 SER A 83 -10.827 3.859 -19.510 1.00 54.32 H new ATOM 0 HG SER A 83 -10.148 4.931 -21.203 1.00 61.15 H new ATOM 1143 N THR A 84 -7.258 2.914 -20.133 1.00 54.10 N ATOM 1144 CA THR A 84 -6.039 3.549 -19.649 1.00 14.41 C ATOM 1145 C THR A 84 -6.237 5.049 -19.463 1.00 54.44 C ATOM 1146 O THR A 84 -5.418 5.722 -18.837 1.00 44.23 O ATOM 1147 CB THR A 84 -4.862 3.314 -20.614 1.00 21.14 C ATOM 1148 OG1 THR A 84 -5.311 3.418 -21.969 1.00 40.13 O ATOM 1149 CG2 THR A 84 -4.240 1.945 -20.384 1.00 24.11 C ATOM 0 H THR A 84 -7.179 2.505 -21.064 1.00 54.10 H new ATOM 0 HA THR A 84 -5.806 3.094 -18.686 1.00 14.41 H new ATOM 0 HB THR A 84 -4.106 4.076 -20.423 1.00 21.14 H new ATOM 0 HG1 THR A 84 -4.556 3.269 -22.576 1.00 40.13 H new ATOM 0 HG21 THR A 84 -3.411 1.801 -21.077 1.00 24.11 H new ATOM 0 HG22 THR A 84 -3.873 1.880 -19.360 1.00 24.11 H new ATOM 0 HG23 THR A 84 -4.990 1.172 -20.550 1.00 24.11 H new ATOM 1157 N THR A 85 -7.331 5.570 -20.011 1.00 35.40 N ATOM 1158 CA THR A 85 -7.637 6.991 -19.906 1.00 71.32 C ATOM 1159 C THR A 85 -8.107 7.350 -18.501 1.00 72.13 C ATOM 1160 O THR A 85 -8.062 8.513 -18.098 1.00 32.40 O ATOM 1161 CB THR A 85 -8.719 7.409 -20.920 1.00 22.01 C ATOM 1162 OG1 THR A 85 -9.910 6.643 -20.709 1.00 13.43 O ATOM 1163 CG2 THR A 85 -8.229 7.211 -22.346 1.00 40.15 C ATOM 0 H THR A 85 -8.020 5.028 -20.532 1.00 35.40 H new ATOM 0 HA THR A 85 -6.716 7.530 -20.126 1.00 71.32 H new ATOM 0 HB THR A 85 -8.937 8.467 -20.771 1.00 22.01 H new ATOM 0 HG1 THR A 85 -10.593 6.916 -21.356 1.00 13.43 H new ATOM 0 HG21 THR A 85 -9.010 7.513 -23.044 1.00 40.15 H new ATOM 0 HG22 THR A 85 -7.339 7.818 -22.512 1.00 40.15 H new ATOM 0 HG23 THR A 85 -7.987 6.160 -22.505 1.00 40.15 H new ATOM 1171 N THR A 86 -8.558 6.344 -17.758 1.00 15.20 N ATOM 1172 CA THR A 86 -9.038 6.554 -16.398 1.00 5.23 C ATOM 1173 C THR A 86 -7.876 6.751 -15.430 1.00 32.20 C ATOM 1174 O THR A 86 -6.799 6.186 -15.615 1.00 73.42 O ATOM 1175 CB THR A 86 -9.898 5.371 -15.916 1.00 24.41 C ATOM 1176 OG1 THR A 86 -10.992 5.162 -16.815 1.00 51.34 O ATOM 1177 CG2 THR A 86 -10.429 5.623 -14.513 1.00 5.21 C ATOM 0 H THR A 86 -8.601 5.376 -18.076 1.00 15.20 H new ATOM 0 HA THR A 86 -9.651 7.455 -16.415 1.00 5.23 H new ATOM 0 HB THR A 86 -9.270 4.480 -15.895 1.00 24.41 H new ATOM 0 HG1 THR A 86 -11.533 4.407 -16.502 1.00 51.34 H new ATOM 0 HG21 THR A 86 -11.033 4.774 -14.195 1.00 5.21 H new ATOM 0 HG22 THR A 86 -9.593 5.752 -13.825 1.00 5.21 H new ATOM 0 HG23 THR A 86 -11.042 6.525 -14.512 1.00 5.21 H new ATOM 1185 N ASN A 87 -8.103 7.555 -14.397 1.00 2.44 N ATOM 1186 CA ASN A 87 -7.074 7.826 -13.399 1.00 11.21 C ATOM 1187 C ASN A 87 -7.087 6.765 -12.303 1.00 2.24 C ATOM 1188 O ASN A 87 -7.966 6.757 -11.441 1.00 55.40 O ATOM 1189 CB ASN A 87 -7.282 9.212 -12.785 1.00 42.32 C ATOM 1190 CG ASN A 87 -5.972 9.894 -12.440 1.00 22.22 C ATOM 1191 OD1 ASN A 87 -4.930 9.099 -12.226 1.00 71.51 O flip ATOM 1192 ND2 ASN A 87 -5.898 11.121 -12.366 1.00 62.13 N flip ATOM 0 H ASN A 87 -8.990 8.030 -14.229 1.00 2.44 H new ATOM 0 HA ASN A 87 -6.104 7.798 -13.896 1.00 11.21 H new ATOM 0 HB2 ASN A 87 -7.840 9.836 -13.483 1.00 42.32 H new ATOM 0 HB3 ASN A 87 -7.889 9.120 -11.884 1.00 42.32 H new ATOM 0 HD21 ASN A 87 -6.725 11.693 -12.538 1.00 62.13 H new ATOM 0 HD22 ASN A 87 -5.010 11.565 -12.132 1.00 62.13 H new ATOM 1199 N CYS A 88 -6.105 5.871 -12.341 1.00 23.10 N ATOM 1200 CA CYS A 88 -6.001 4.805 -11.352 1.00 14.02 C ATOM 1201 C CYS A 88 -5.472 5.343 -10.026 1.00 2.14 C ATOM 1202 O CYS A 88 -5.351 4.605 -9.049 1.00 0.33 O ATOM 1203 CB CYS A 88 -5.086 3.692 -11.865 1.00 31.51 C ATOM 1204 SG CYS A 88 -5.535 3.061 -13.514 1.00 42.11 S ATOM 0 H CYS A 88 -5.369 5.864 -13.047 1.00 23.10 H new ATOM 0 HA CYS A 88 -6.999 4.398 -11.187 1.00 14.02 H new ATOM 0 HB2 CYS A 88 -4.062 4.064 -11.897 1.00 31.51 H new ATOM 0 HB3 CYS A 88 -5.103 2.866 -11.154 1.00 31.51 H new ATOM 1209 N ASN A 89 -5.158 6.634 -10.000 1.00 41.34 N ATOM 1210 CA ASN A 89 -4.641 7.272 -8.795 1.00 30.22 C ATOM 1211 C ASN A 89 -5.781 7.721 -7.886 1.00 2.14 C ATOM 1212 O ASN A 89 -5.590 7.925 -6.686 1.00 53.22 O ATOM 1213 CB ASN A 89 -3.764 8.471 -9.163 1.00 32.55 C ATOM 1214 CG ASN A 89 -2.457 8.054 -9.808 1.00 42.12 C ATOM 1215 OD1 ASN A 89 -2.521 7.668 -11.077 1.00 12.14 O flip ATOM 1216 ND2 ASN A 89 -1.402 8.080 -9.174 1.00 65.51 N flip ATOM 0 H ASN A 89 -5.253 7.259 -10.800 1.00 41.34 H new ATOM 0 HA ASN A 89 -4.037 6.541 -8.257 1.00 30.22 H new ATOM 0 HB2 ASN A 89 -4.311 9.122 -9.845 1.00 32.55 H new ATOM 0 HB3 ASN A 89 -3.554 9.053 -8.266 1.00 32.55 H new ATOM 0 HD21 ASN A 89 -1.400 8.384 -8.200 1.00 65.51 H new ATOM 0 HD22 ASN A 89 -0.530 7.798 -9.622 1.00 65.51 H new ATOM 1223 N THR A 90 -6.968 7.873 -8.465 1.00 21.02 N ATOM 1224 CA THR A 90 -8.139 8.298 -7.708 1.00 44.31 C ATOM 1225 C THR A 90 -9.083 7.129 -7.453 1.00 51.23 C ATOM 1226 O THR A 90 -10.301 7.303 -7.396 1.00 64.41 O ATOM 1227 CB THR A 90 -8.907 9.414 -8.442 1.00 21.32 C ATOM 1228 OG1 THR A 90 -9.680 8.855 -9.510 1.00 45.23 O ATOM 1229 CG2 THR A 90 -7.948 10.458 -8.994 1.00 75.13 C ATOM 0 H THR A 90 -7.144 7.708 -9.456 1.00 21.02 H new ATOM 0 HA THR A 90 -7.777 8.683 -6.755 1.00 44.31 H new ATOM 0 HB THR A 90 -9.573 9.898 -7.727 1.00 21.32 H new ATOM 0 HG1 THR A 90 -10.405 8.310 -9.139 1.00 45.23 H new ATOM 0 HG21 THR A 90 -8.513 11.236 -9.508 1.00 75.13 H new ATOM 0 HG22 THR A 90 -7.382 10.902 -8.175 1.00 75.13 H new ATOM 0 HG23 THR A 90 -7.260 9.986 -9.696 1.00 75.13 H new ATOM 1237 N VAL A 91 -8.514 5.938 -7.300 1.00 34.51 N ATOM 1238 CA VAL A 91 -9.306 4.739 -7.049 1.00 52.20 C ATOM 1239 C VAL A 91 -9.149 4.269 -5.608 1.00 21.55 C ATOM 1240 O VAL A 91 -8.070 4.370 -5.024 1.00 22.25 O ATOM 1241 CB VAL A 91 -8.907 3.594 -7.998 1.00 63.30 C ATOM 1242 CG1 VAL A 91 -8.816 4.095 -9.431 1.00 62.44 C ATOM 1243 CG2 VAL A 91 -7.590 2.972 -7.557 1.00 71.04 C ATOM 0 H VAL A 91 -7.508 5.777 -7.345 1.00 34.51 H new ATOM 0 HA VAL A 91 -10.348 5.004 -7.230 1.00 52.20 H new ATOM 0 HB VAL A 91 -9.678 2.825 -7.956 1.00 63.30 H new ATOM 0 HG11 VAL A 91 -8.533 3.272 -10.087 1.00 62.44 H new ATOM 0 HG12 VAL A 91 -9.784 4.489 -9.741 1.00 62.44 H new ATOM 0 HG13 VAL A 91 -8.066 4.883 -9.494 1.00 62.44 H new ATOM 0 HG21 VAL A 91 -7.323 2.164 -8.239 1.00 71.04 H new ATOM 0 HG22 VAL A 91 -6.807 3.731 -7.569 1.00 71.04 H new ATOM 0 HG23 VAL A 91 -7.695 2.575 -6.547 1.00 71.04 H new