USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 644 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 76 GLN :FLIP amide:sc= 0.0578 F(o=1.3,f=2.1) USER MOD Set 1.2: A 83 CYS SG : rot 88:sc= 1.73 USER MOD Set 1.3: A 85 TYR OH : rot -47:sc= 0.35 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 12 HIS : no HD1:sc= -0.155 X(o=-0.16,f=-0.46) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 19 THR OG1 : rot 40:sc= 0.111 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot -35:sc= 0.474 USER MOD Single : A 24 MET CE :methyl -161:sc= 0 (180deg=-0.21) USER MOD Single : A 27 CYS SG : rot 128:sc= -0.389 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -140:sc= 1.18 (180deg=0.322) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0.31) USER MOD Single : A 48 SER OG : rot 180:sc=-0.00635 USER MOD Single : A 55 ASN : amide:sc= -1.11 X(o=-1.1,f=-1.1) USER MOD Single : A 59 HIS : no HD1:sc= -0.398 X(o=-0.4,f=-0.008) USER MOD Single : A 67 THR OG1 : rot 84:sc= 0.296 USER MOD Single : A 68 GLN : amide:sc= 0.0446 X(o=0.045,f=0) USER MOD Single : A 70 SER OG : rot 82:sc= 0.323 USER MOD Single : A 77 CYS SG : rot 111:sc= -2.66! USER MOD Single : A 87 THR OG1 : rot -87:sc= 0.0238 USER MOD Single : A 89 THR OG1 : rot 180:sc=-0.00823 USER MOD ----------------------------------------------------------------- ATOM 50 N VAL A 4 -10.863 -12.008 -2.172 1.00 24.23 N ATOM 51 CA VAL A 4 -9.541 -11.530 -1.718 1.00 35.54 C ATOM 52 C VAL A 4 -9.622 -10.770 -0.368 1.00 11.02 C ATOM 53 O VAL A 4 -10.507 -9.936 -0.160 1.00 70.34 O ATOM 54 CB VAL A 4 -8.864 -10.618 -2.809 1.00 75.50 C ATOM 55 CG1 VAL A 4 -9.766 -9.418 -3.210 1.00 73.50 C ATOM 56 CG2 VAL A 4 -7.456 -10.151 -2.350 1.00 11.13 C ATOM 0 HA VAL A 4 -8.926 -12.416 -1.564 1.00 35.54 H new ATOM 0 HB VAL A 4 -8.737 -11.225 -3.706 1.00 75.50 H new ATOM 0 HG11 VAL A 4 -9.258 -8.817 -3.964 1.00 73.50 H new ATOM 0 HG12 VAL A 4 -10.707 -9.790 -3.615 1.00 73.50 H new ATOM 0 HG13 VAL A 4 -9.966 -8.804 -2.332 1.00 73.50 H new ATOM 0 HG21 VAL A 4 -7.011 -9.523 -3.122 1.00 11.13 H new ATOM 0 HG22 VAL A 4 -7.545 -9.581 -1.425 1.00 11.13 H new ATOM 0 HG23 VAL A 4 -6.822 -11.021 -2.180 1.00 11.13 H new ATOM 66 N HIS A 5 -8.688 -11.087 0.549 1.00 30.40 N ATOM 67 CA HIS A 5 -8.492 -10.333 1.805 1.00 34.20 C ATOM 68 C HIS A 5 -7.027 -9.851 1.939 1.00 24.24 C ATOM 69 O HIS A 5 -6.095 -10.526 1.492 1.00 44.20 O ATOM 70 CB HIS A 5 -8.963 -11.169 3.032 1.00 45.15 C ATOM 71 CG HIS A 5 -8.353 -12.544 3.165 1.00 73.13 C ATOM 72 ND1 HIS A 5 -9.006 -13.698 2.775 1.00 4.40 N ATOM 73 CD2 HIS A 5 -7.166 -12.952 3.682 1.00 63.23 C ATOM 74 CE1 HIS A 5 -8.254 -14.743 3.045 1.00 65.43 C ATOM 75 NE2 HIS A 5 -7.136 -14.318 3.593 1.00 21.03 N ATOM 0 H HIS A 5 -8.047 -11.873 0.441 1.00 30.40 H new ATOM 0 HA HIS A 5 -9.114 -9.438 1.775 1.00 34.20 H new ATOM 0 HB2 HIS A 5 -8.742 -10.605 3.938 1.00 45.15 H new ATOM 0 HB3 HIS A 5 -10.046 -11.277 2.980 1.00 45.15 H new ATOM 0 HD2 HIS A 5 -6.391 -12.318 4.087 1.00 63.23 H new ATOM 0 HE1 HIS A 5 -8.511 -15.774 2.850 1.00 65.43 H new ATOM 0 HE2 HIS A 5 -6.367 -14.913 3.903 1.00 21.03 H new ATOM 84 N ILE A 6 -6.834 -8.654 2.525 1.00 65.04 N ATOM 85 CA ILE A 6 -5.491 -8.054 2.698 1.00 62.44 C ATOM 86 C ILE A 6 -4.757 -8.745 3.882 1.00 24.32 C ATOM 87 O ILE A 6 -5.100 -8.545 5.054 1.00 10.45 O ATOM 88 CB ILE A 6 -5.565 -6.467 2.860 1.00 74.12 C ATOM 89 CG1 ILE A 6 -5.775 -5.751 1.468 1.00 1.32 C ATOM 90 CG2 ILE A 6 -4.304 -5.892 3.558 1.00 11.32 C ATOM 91 CD1 ILE A 6 -7.038 -6.122 0.699 1.00 62.34 C ATOM 0 H ILE A 6 -7.593 -8.079 2.889 1.00 65.04 H new ATOM 0 HA ILE A 6 -4.908 -8.229 1.794 1.00 62.44 H new ATOM 0 HB ILE A 6 -6.428 -6.265 3.494 1.00 74.12 H new ATOM 0 HG12 ILE A 6 -5.781 -4.674 1.635 1.00 1.32 H new ATOM 0 HG13 ILE A 6 -4.914 -5.971 0.837 1.00 1.32 H new ATOM 0 HG21 ILE A 6 -4.399 -4.810 3.646 1.00 11.32 H new ATOM 0 HG22 ILE A 6 -4.206 -6.330 4.551 1.00 11.32 H new ATOM 0 HG23 ILE A 6 -3.420 -6.132 2.967 1.00 11.32 H new ATOM 0 HD11 ILE A 6 -7.070 -5.567 -0.238 1.00 62.34 H new ATOM 0 HD12 ILE A 6 -7.034 -7.191 0.487 1.00 62.34 H new ATOM 0 HD13 ILE A 6 -7.915 -5.874 1.298 1.00 62.34 H new ATOM 103 N VAL A 7 -3.791 -9.619 3.541 1.00 33.30 N ATOM 104 CA VAL A 7 -2.945 -10.333 4.527 1.00 42.02 C ATOM 105 C VAL A 7 -1.846 -9.410 5.106 1.00 13.00 C ATOM 106 O VAL A 7 -1.413 -9.584 6.248 1.00 3.33 O ATOM 107 CB VAL A 7 -2.294 -11.625 3.891 1.00 71.01 C ATOM 108 CG1 VAL A 7 -3.386 -12.656 3.516 1.00 73.33 C ATOM 109 CG2 VAL A 7 -1.399 -11.282 2.661 1.00 24.31 C ATOM 0 H VAL A 7 -3.572 -9.853 2.573 1.00 33.30 H new ATOM 0 HA VAL A 7 -3.596 -10.641 5.345 1.00 42.02 H new ATOM 0 HB VAL A 7 -1.643 -12.070 4.644 1.00 71.01 H new ATOM 0 HG11 VAL A 7 -2.919 -13.539 3.080 1.00 73.33 H new ATOM 0 HG12 VAL A 7 -3.938 -12.943 4.411 1.00 73.33 H new ATOM 0 HG13 VAL A 7 -4.071 -12.213 2.793 1.00 73.33 H new ATOM 0 HG21 VAL A 7 -0.972 -12.199 2.255 1.00 24.31 H new ATOM 0 HG22 VAL A 7 -2.003 -10.794 1.896 1.00 24.31 H new ATOM 0 HG23 VAL A 7 -0.596 -10.613 2.971 1.00 24.31 H new ATOM 119 N ASP A 8 -1.413 -8.428 4.301 1.00 4.20 N ATOM 120 CA ASP A 8 -0.369 -7.469 4.683 1.00 44.41 C ATOM 121 C ASP A 8 -0.701 -6.071 4.080 1.00 4.41 C ATOM 122 O ASP A 8 -0.799 -5.953 2.874 1.00 42.23 O ATOM 123 CB ASP A 8 1.008 -7.987 4.201 1.00 32.31 C ATOM 124 CG ASP A 8 2.168 -7.108 4.671 1.00 61.45 C ATOM 125 OD1 ASP A 8 2.349 -6.962 5.897 1.00 65.25 O ATOM 126 OD2 ASP A 8 2.884 -6.533 3.833 1.00 1.22 O ATOM 0 H ASP A 8 -1.780 -8.277 3.361 1.00 4.20 H new ATOM 0 HA ASP A 8 -0.330 -7.366 5.767 1.00 44.41 H new ATOM 0 HB2 ASP A 8 1.157 -9.003 4.566 1.00 32.31 H new ATOM 0 HB3 ASP A 8 1.012 -8.035 3.112 1.00 32.31 H new ATOM 131 N PRO A 9 -0.942 -4.994 4.901 1.00 53.42 N ATOM 132 CA PRO A 9 -0.944 -5.052 6.374 1.00 15.42 C ATOM 133 C PRO A 9 -2.317 -5.518 6.950 1.00 60.32 C ATOM 134 O PRO A 9 -3.368 -4.930 6.674 1.00 33.54 O ATOM 135 CB PRO A 9 -0.598 -3.599 6.754 1.00 2.22 C ATOM 136 CG PRO A 9 -1.249 -2.762 5.690 1.00 32.51 C ATOM 137 CD PRO A 9 -1.248 -3.610 4.423 1.00 60.11 C ATOM 0 HA PRO A 9 -0.245 -5.782 6.783 1.00 15.42 H new ATOM 0 HB2 PRO A 9 -0.978 -3.347 7.744 1.00 2.22 H new ATOM 0 HB3 PRO A 9 0.480 -3.442 6.777 1.00 2.22 H new ATOM 0 HG2 PRO A 9 -2.265 -2.490 5.976 1.00 32.51 H new ATOM 0 HG3 PRO A 9 -0.701 -1.832 5.537 1.00 32.51 H new ATOM 0 HD2 PRO A 9 -2.212 -3.569 3.917 1.00 60.11 H new ATOM 0 HD3 PRO A 9 -0.499 -3.261 3.712 1.00 60.11 H new ATOM 145 N ARG A 10 -2.278 -6.606 7.734 1.00 33.35 N ATOM 146 CA ARG A 10 -3.451 -7.149 8.456 1.00 61.35 C ATOM 147 C ARG A 10 -3.992 -6.127 9.506 1.00 75.14 C ATOM 148 O ARG A 10 -5.174 -6.145 9.871 1.00 3.15 O ATOM 149 CB ARG A 10 -3.022 -8.511 9.078 1.00 12.45 C ATOM 150 CG ARG A 10 -4.075 -9.250 9.946 1.00 2.15 C ATOM 151 CD ARG A 10 -3.972 -8.910 11.448 1.00 5.23 C ATOM 152 NE ARG A 10 -2.613 -9.168 11.974 1.00 52.53 N ATOM 153 CZ ARG A 10 -2.248 -9.150 13.238 1.00 72.11 C ATOM 154 NH1 ARG A 10 -3.104 -8.986 14.191 1.00 20.22 N ATOM 155 NH2 ARG A 10 -1.003 -9.315 13.539 1.00 4.23 N ATOM 0 H ARG A 10 -1.425 -7.143 7.890 1.00 33.35 H new ATOM 0 HA ARG A 10 -4.288 -7.319 7.779 1.00 61.35 H new ATOM 0 HB2 ARG A 10 -2.725 -9.176 8.267 1.00 12.45 H new ATOM 0 HB3 ARG A 10 -2.137 -8.340 9.691 1.00 12.45 H new ATOM 0 HG2 ARG A 10 -5.073 -8.995 9.590 1.00 2.15 H new ATOM 0 HG3 ARG A 10 -3.955 -10.325 9.814 1.00 2.15 H new ATOM 0 HD2 ARG A 10 -4.230 -7.862 11.603 1.00 5.23 H new ATOM 0 HD3 ARG A 10 -4.697 -9.502 12.006 1.00 5.23 H new ATOM 0 HE ARG A 10 -1.888 -9.381 11.289 1.00 52.53 H new ATOM 0 HH11 ARG A 10 -4.093 -8.866 13.973 1.00 20.22 H new ATOM 0 HH12 ARG A 10 -2.791 -8.977 15.162 1.00 20.22 H new ATOM 0 HH21 ARG A 10 -0.314 -9.457 12.800 1.00 4.23 H new ATOM 0 HH22 ARG A 10 -0.708 -9.303 14.515 1.00 4.23 H new ATOM 169 N GLU A 11 -3.100 -5.235 9.951 1.00 21.15 N ATOM 170 CA GLU A 11 -3.399 -4.119 10.877 1.00 21.33 C ATOM 171 C GLU A 11 -3.293 -2.762 10.128 1.00 33.13 C ATOM 172 O GLU A 11 -2.596 -2.660 9.112 1.00 31.31 O ATOM 173 CB GLU A 11 -2.416 -4.144 12.093 1.00 60.42 C ATOM 174 CG GLU A 11 -0.902 -3.969 11.764 1.00 15.21 C ATOM 175 CD GLU A 11 -0.221 -5.237 11.200 1.00 71.14 C ATOM 176 OE1 GLU A 11 0.211 -6.095 11.997 1.00 13.31 O ATOM 177 OE2 GLU A 11 -0.119 -5.390 9.960 1.00 73.10 O ATOM 0 H GLU A 11 -2.119 -5.264 9.673 1.00 21.15 H new ATOM 0 HA GLU A 11 -4.416 -4.236 11.250 1.00 21.33 H new ATOM 0 HB2 GLU A 11 -2.709 -3.355 12.785 1.00 60.42 H new ATOM 0 HB3 GLU A 11 -2.545 -5.091 12.617 1.00 60.42 H new ATOM 0 HG2 GLU A 11 -0.791 -3.160 11.042 1.00 15.21 H new ATOM 0 HG3 GLU A 11 -0.379 -3.663 12.670 1.00 15.21 H new ATOM 184 N HIS A 12 -3.984 -1.718 10.625 1.00 71.44 N ATOM 185 CA HIS A 12 -3.922 -0.356 10.015 1.00 71.10 C ATOM 186 C HIS A 12 -2.681 0.415 10.546 1.00 30.14 C ATOM 187 O HIS A 12 -2.649 0.867 11.695 1.00 74.14 O ATOM 188 CB HIS A 12 -5.248 0.437 10.242 1.00 21.34 C ATOM 189 CG HIS A 12 -5.724 0.517 11.668 1.00 32.53 C ATOM 190 ND1 HIS A 12 -5.366 1.533 12.520 1.00 65.44 N ATOM 191 CD2 HIS A 12 -6.529 -0.304 12.387 1.00 74.44 C ATOM 192 CE1 HIS A 12 -5.922 1.337 13.693 1.00 4.25 C ATOM 193 NE2 HIS A 12 -6.632 0.233 13.644 1.00 71.30 N ATOM 0 H HIS A 12 -4.591 -1.781 11.442 1.00 71.44 H new ATOM 0 HA HIS A 12 -3.811 -0.467 8.936 1.00 71.10 H new ATOM 0 HB2 HIS A 12 -5.112 1.451 9.866 1.00 21.34 H new ATOM 0 HB3 HIS A 12 -6.033 -0.023 9.642 1.00 21.34 H new ATOM 0 HD2 HIS A 12 -7.000 -1.210 12.036 1.00 74.44 H new ATOM 0 HE1 HIS A 12 -5.814 1.978 14.556 1.00 4.25 H new ATOM 0 HE2 HIS A 12 -7.172 -0.160 14.415 1.00 71.30 H new ATOM 202 N VAL A 13 -1.666 0.559 9.675 1.00 33.32 N ATOM 203 CA VAL A 13 -0.324 1.067 10.058 1.00 40.34 C ATOM 204 C VAL A 13 -0.244 2.613 10.000 1.00 21.44 C ATOM 205 O VAL A 13 -0.550 3.228 8.972 1.00 11.52 O ATOM 206 CB VAL A 13 0.792 0.437 9.131 1.00 41.34 C ATOM 207 CG1 VAL A 13 2.217 0.955 9.485 1.00 31.23 C ATOM 208 CG2 VAL A 13 0.725 -1.112 9.181 1.00 74.05 C ATOM 0 H VAL A 13 -1.747 0.328 8.685 1.00 33.32 H new ATOM 0 HA VAL A 13 -0.152 0.765 11.091 1.00 40.34 H new ATOM 0 HB VAL A 13 0.591 0.760 8.110 1.00 41.34 H new ATOM 0 HG11 VAL A 13 2.947 0.493 8.821 1.00 31.23 H new ATOM 0 HG12 VAL A 13 2.251 2.038 9.365 1.00 31.23 H new ATOM 0 HG13 VAL A 13 2.452 0.697 10.518 1.00 31.23 H new ATOM 0 HG21 VAL A 13 1.499 -1.531 8.538 1.00 74.05 H new ATOM 0 HG22 VAL A 13 0.882 -1.450 10.205 1.00 74.05 H new ATOM 0 HG23 VAL A 13 -0.253 -1.445 8.835 1.00 74.05 H new ATOM 218 N PHE A 14 0.153 3.232 11.130 1.00 65.32 N ATOM 219 CA PHE A 14 0.507 4.664 11.185 1.00 74.13 C ATOM 220 C PHE A 14 1.962 4.874 10.691 1.00 11.22 C ATOM 221 O PHE A 14 2.878 4.145 11.089 1.00 71.32 O ATOM 222 CB PHE A 14 0.340 5.223 12.628 1.00 4.25 C ATOM 223 CG PHE A 14 0.821 6.672 12.801 1.00 72.44 C ATOM 224 CD1 PHE A 14 0.073 7.734 12.296 1.00 11.42 C ATOM 225 CD2 PHE A 14 2.034 6.966 13.437 1.00 20.32 C ATOM 226 CE1 PHE A 14 0.516 9.036 12.418 1.00 42.41 C ATOM 227 CE2 PHE A 14 2.471 8.270 13.561 1.00 44.41 C ATOM 228 CZ PHE A 14 1.716 9.304 13.050 1.00 3.13 C ATOM 0 H PHE A 14 0.237 2.755 12.027 1.00 65.32 H new ATOM 0 HA PHE A 14 -0.171 5.210 10.529 1.00 74.13 H new ATOM 0 HB2 PHE A 14 -0.712 5.165 12.909 1.00 4.25 H new ATOM 0 HB3 PHE A 14 0.890 4.584 13.319 1.00 4.25 H new ATOM 0 HD1 PHE A 14 -0.867 7.536 11.802 1.00 11.42 H new ATOM 0 HD2 PHE A 14 2.635 6.162 13.836 1.00 20.32 H new ATOM 0 HE1 PHE A 14 -0.076 9.846 12.019 1.00 42.41 H new ATOM 0 HE2 PHE A 14 3.406 8.480 14.059 1.00 44.41 H new ATOM 0 HZ PHE A 14 2.062 10.323 13.143 1.00 3.13 H new ATOM 238 N VAL A 15 2.151 5.876 9.823 1.00 52.00 N ATOM 239 CA VAL A 15 3.473 6.301 9.326 1.00 54.54 C ATOM 240 C VAL A 15 3.692 7.796 9.655 1.00 61.40 C ATOM 241 O VAL A 15 2.838 8.626 9.358 1.00 20.10 O ATOM 242 CB VAL A 15 3.614 6.075 7.769 1.00 74.54 C ATOM 243 CG1 VAL A 15 5.028 6.473 7.271 1.00 71.32 C ATOM 244 CG2 VAL A 15 3.266 4.610 7.379 1.00 52.53 C ATOM 0 H VAL A 15 1.381 6.424 9.439 1.00 52.00 H new ATOM 0 HA VAL A 15 4.229 5.692 9.821 1.00 54.54 H new ATOM 0 HB VAL A 15 2.895 6.726 7.272 1.00 74.54 H new ATOM 0 HG11 VAL A 15 5.095 6.307 6.196 1.00 71.32 H new ATOM 0 HG12 VAL A 15 5.207 7.526 7.487 1.00 71.32 H new ATOM 0 HG13 VAL A 15 5.777 5.866 7.780 1.00 71.32 H new ATOM 0 HG21 VAL A 15 3.372 4.485 6.301 1.00 52.53 H new ATOM 0 HG22 VAL A 15 3.943 3.926 7.892 1.00 52.53 H new ATOM 0 HG23 VAL A 15 2.239 4.390 7.670 1.00 52.53 H new ATOM 254 N HIS A 16 4.818 8.132 10.304 1.00 3.30 N ATOM 255 CA HIS A 16 5.225 9.537 10.513 1.00 11.34 C ATOM 256 C HIS A 16 6.397 9.880 9.572 1.00 0.13 C ATOM 257 O HIS A 16 7.527 9.431 9.785 1.00 31.45 O ATOM 258 CB HIS A 16 5.609 9.803 11.988 1.00 45.51 C ATOM 259 CG HIS A 16 5.987 11.238 12.262 1.00 64.44 C ATOM 260 ND1 HIS A 16 7.293 11.668 12.368 1.00 21.32 N ATOM 261 CD2 HIS A 16 5.220 12.344 12.406 1.00 15.42 C ATOM 262 CE1 HIS A 16 7.311 12.969 12.558 1.00 43.44 C ATOM 263 NE2 HIS A 16 6.069 13.406 12.585 1.00 11.35 N ATOM 0 H HIS A 16 5.467 7.450 10.696 1.00 3.30 H new ATOM 0 HA HIS A 16 4.377 10.181 10.280 1.00 11.34 H new ATOM 0 HB2 HIS A 16 4.771 9.528 12.629 1.00 45.51 H new ATOM 0 HB3 HIS A 16 6.444 9.157 12.260 1.00 45.51 H new ATOM 0 HD2 HIS A 16 4.141 12.383 12.384 1.00 15.42 H new ATOM 0 HE1 HIS A 16 8.196 13.577 12.673 1.00 43.44 H new ATOM 0 HE2 HIS A 16 5.785 14.377 12.718 1.00 11.35 H new ATOM 272 N ALA A 17 6.112 10.674 8.530 1.00 63.22 N ATOM 273 CA ALA A 17 7.108 11.060 7.514 1.00 61.12 C ATOM 274 C ALA A 17 7.787 12.404 7.854 1.00 62.01 C ATOM 275 O ALA A 17 7.302 13.178 8.685 1.00 25.44 O ATOM 276 CB ALA A 17 6.430 11.131 6.140 1.00 2.45 C ATOM 0 H ALA A 17 5.186 11.068 8.366 1.00 63.22 H new ATOM 0 HA ALA A 17 7.892 10.303 7.498 1.00 61.12 H new ATOM 0 HB1 ALA A 17 7.164 11.416 5.386 1.00 2.45 H new ATOM 0 HB2 ALA A 17 6.013 10.156 5.889 1.00 2.45 H new ATOM 0 HB3 ALA A 17 5.631 11.872 6.167 1.00 2.45 H new ATOM 282 N ILE A 18 8.934 12.645 7.212 1.00 13.12 N ATOM 283 CA ILE A 18 9.660 13.937 7.251 1.00 2.20 C ATOM 284 C ILE A 18 9.554 14.605 5.847 1.00 45.24 C ATOM 285 O ILE A 18 9.166 13.945 4.865 1.00 0.03 O ATOM 286 CB ILE A 18 11.176 13.692 7.670 1.00 41.22 C ATOM 287 CG1 ILE A 18 11.255 12.905 9.023 1.00 14.52 C ATOM 288 CG2 ILE A 18 12.012 14.998 7.750 1.00 70.14 C ATOM 289 CD1 ILE A 18 10.640 13.614 10.223 1.00 52.11 C ATOM 0 H ILE A 18 9.400 11.942 6.638 1.00 13.12 H new ATOM 0 HA ILE A 18 9.219 14.603 7.992 1.00 2.20 H new ATOM 0 HB ILE A 18 11.619 13.091 6.876 1.00 41.22 H new ATOM 0 HG12 ILE A 18 10.758 11.944 8.895 1.00 14.52 H new ATOM 0 HG13 ILE A 18 12.302 12.696 9.242 1.00 14.52 H new ATOM 0 HG21 ILE A 18 13.035 14.758 8.041 1.00 70.14 H new ATOM 0 HG22 ILE A 18 12.017 15.487 6.776 1.00 70.14 H new ATOM 0 HG23 ILE A 18 11.572 15.667 8.490 1.00 70.14 H new ATOM 0 HD11 ILE A 18 10.746 12.988 11.109 1.00 52.11 H new ATOM 0 HD12 ILE A 18 11.151 14.563 10.386 1.00 52.11 H new ATOM 0 HD13 ILE A 18 9.583 13.799 10.034 1.00 52.11 H new ATOM 301 N THR A 19 9.854 15.913 5.762 1.00 41.32 N ATOM 302 CA THR A 19 9.921 16.649 4.481 1.00 43.25 C ATOM 303 C THR A 19 10.927 15.976 3.496 1.00 63.22 C ATOM 304 O THR A 19 12.100 15.790 3.833 1.00 72.30 O ATOM 305 CB THR A 19 10.326 18.149 4.713 1.00 11.22 C ATOM 306 OG1 THR A 19 11.597 18.220 5.384 1.00 73.52 O ATOM 307 CG2 THR A 19 9.268 18.912 5.538 1.00 4.15 C ATOM 0 H THR A 19 10.057 16.492 6.577 1.00 41.32 H new ATOM 0 HA THR A 19 8.926 16.619 4.037 1.00 43.25 H new ATOM 0 HB THR A 19 10.395 18.621 3.733 1.00 11.22 H new ATOM 0 HG1 THR A 19 12.197 17.535 5.022 1.00 73.52 H new ATOM 0 HG21 THR A 19 9.589 19.945 5.674 1.00 4.15 H new ATOM 0 HG22 THR A 19 8.314 18.895 5.011 1.00 4.15 H new ATOM 0 HG23 THR A 19 9.153 18.436 6.512 1.00 4.15 H new ATOM 315 N SER A 20 10.412 15.573 2.311 1.00 12.02 N ATOM 316 CA SER A 20 11.178 14.909 1.210 1.00 23.30 C ATOM 317 C SER A 20 11.616 13.448 1.532 1.00 44.45 C ATOM 318 O SER A 20 12.352 12.839 0.747 1.00 14.34 O ATOM 319 CB SER A 20 12.415 15.744 0.776 1.00 53.12 C ATOM 320 OG SER A 20 12.056 17.052 0.352 1.00 32.14 O ATOM 0 H SER A 20 9.427 15.700 2.080 1.00 12.02 H new ATOM 0 HA SER A 20 10.472 14.854 0.381 1.00 23.30 H new ATOM 0 HB2 SER A 20 13.115 15.813 1.608 1.00 53.12 H new ATOM 0 HB3 SER A 20 12.932 15.230 -0.034 1.00 53.12 H new ATOM 0 HG SER A 20 12.862 17.544 0.090 1.00 32.14 H new ATOM 326 N GLU A 21 11.136 12.880 2.655 1.00 63.12 N ATOM 327 CA GLU A 21 11.540 11.520 3.121 1.00 25.50 C ATOM 328 C GLU A 21 10.756 10.415 2.354 1.00 54.42 C ATOM 329 O GLU A 21 9.612 10.626 1.944 1.00 52.11 O ATOM 330 CB GLU A 21 11.329 11.414 4.678 1.00 22.24 C ATOM 331 CG GLU A 21 12.465 10.717 5.478 1.00 51.03 C ATOM 332 CD GLU A 21 12.548 9.195 5.270 1.00 23.40 C ATOM 333 OE1 GLU A 21 11.843 8.455 5.980 1.00 52.04 O ATOM 334 OE2 GLU A 21 13.316 8.729 4.399 1.00 63.04 O ATOM 0 H GLU A 21 10.462 13.339 3.268 1.00 63.12 H new ATOM 0 HA GLU A 21 12.597 11.364 2.907 1.00 25.50 H new ATOM 0 HB2 GLU A 21 11.198 12.420 5.075 1.00 22.24 H new ATOM 0 HB3 GLU A 21 10.400 10.875 4.862 1.00 22.24 H new ATOM 0 HG2 GLU A 21 13.418 11.163 5.194 1.00 51.03 H new ATOM 0 HG3 GLU A 21 12.322 10.919 6.540 1.00 51.03 H new ATOM 341 N CYS A 22 11.395 9.244 2.163 1.00 5.41 N ATOM 342 CA CYS A 22 10.821 8.110 1.403 1.00 5.11 C ATOM 343 C CYS A 22 9.890 7.224 2.276 1.00 1.41 C ATOM 344 O CYS A 22 10.326 6.620 3.261 1.00 12.34 O ATOM 345 CB CYS A 22 11.963 7.258 0.792 1.00 73.30 C ATOM 346 SG CYS A 22 13.098 6.550 2.006 1.00 22.33 S ATOM 0 H CYS A 22 12.327 9.055 2.532 1.00 5.41 H new ATOM 0 HA CYS A 22 10.206 8.525 0.605 1.00 5.11 H new ATOM 0 HB2 CYS A 22 11.524 6.449 0.208 1.00 73.30 H new ATOM 0 HB3 CYS A 22 12.532 7.878 0.099 1.00 73.30 H new ATOM 0 HG CYS A 22 13.254 7.383 2.992 1.00 22.33 H new ATOM 352 N VAL A 23 8.594 7.175 1.907 1.00 1.24 N ATOM 353 CA VAL A 23 7.589 6.270 2.520 1.00 15.44 C ATOM 354 C VAL A 23 7.129 5.206 1.496 1.00 15.40 C ATOM 355 O VAL A 23 6.482 5.536 0.501 1.00 12.25 O ATOM 356 CB VAL A 23 6.333 7.076 3.038 1.00 22.31 C ATOM 357 CG1 VAL A 23 5.234 6.135 3.590 1.00 35.42 C ATOM 358 CG2 VAL A 23 6.750 8.129 4.094 1.00 33.54 C ATOM 0 H VAL A 23 8.208 7.765 1.170 1.00 1.24 H new ATOM 0 HA VAL A 23 8.062 5.779 3.370 1.00 15.44 H new ATOM 0 HB VAL A 23 5.907 7.602 2.184 1.00 22.31 H new ATOM 0 HG11 VAL A 23 4.387 6.728 3.936 1.00 35.42 H new ATOM 0 HG12 VAL A 23 4.905 5.458 2.802 1.00 35.42 H new ATOM 0 HG13 VAL A 23 5.635 5.555 4.421 1.00 35.42 H new ATOM 0 HG21 VAL A 23 5.868 8.671 4.435 1.00 33.54 H new ATOM 0 HG22 VAL A 23 7.219 7.629 4.941 1.00 33.54 H new ATOM 0 HG23 VAL A 23 7.457 8.830 3.650 1.00 33.54 H new ATOM 368 N MET A 24 7.456 3.927 1.743 1.00 25.23 N ATOM 369 CA MET A 24 6.953 2.809 0.920 1.00 55.31 C ATOM 370 C MET A 24 5.761 2.129 1.640 1.00 34.32 C ATOM 371 O MET A 24 5.939 1.408 2.629 1.00 74.44 O ATOM 372 CB MET A 24 8.087 1.791 0.606 1.00 21.51 C ATOM 373 CG MET A 24 7.666 0.631 -0.314 1.00 51.24 C ATOM 374 SD MET A 24 9.046 -0.453 -0.751 1.00 32.00 S ATOM 375 CE MET A 24 8.254 -1.651 -1.830 1.00 4.50 C ATOM 0 H MET A 24 8.067 3.639 2.507 1.00 25.23 H new ATOM 0 HA MET A 24 6.603 3.200 -0.035 1.00 55.31 H new ATOM 0 HB2 MET A 24 8.918 2.323 0.142 1.00 21.51 H new ATOM 0 HB3 MET A 24 8.457 1.378 1.544 1.00 21.51 H new ATOM 0 HG2 MET A 24 6.891 0.044 0.180 1.00 51.24 H new ATOM 0 HG3 MET A 24 7.226 1.037 -1.225 1.00 51.24 H new ATOM 0 HE1 MET A 24 8.875 -2.544 -1.900 1.00 4.50 H new ATOM 0 HE2 MET A 24 7.279 -1.918 -1.423 1.00 4.50 H new ATOM 0 HE3 MET A 24 8.127 -1.219 -2.823 1.00 4.50 H new ATOM 385 N LEU A 25 4.548 2.400 1.135 1.00 22.35 N ATOM 386 CA LEU A 25 3.291 1.852 1.676 1.00 64.03 C ATOM 387 C LEU A 25 3.124 0.387 1.230 1.00 74.04 C ATOM 388 O LEU A 25 2.786 0.105 0.077 1.00 72.05 O ATOM 389 CB LEU A 25 2.110 2.719 1.185 1.00 25.25 C ATOM 390 CG LEU A 25 2.181 4.224 1.575 1.00 24.32 C ATOM 391 CD1 LEU A 25 1.132 5.042 0.810 1.00 72.32 C ATOM 392 CD2 LEU A 25 2.034 4.417 3.103 1.00 24.54 C ATOM 0 H LEU A 25 4.409 3.012 0.331 1.00 22.35 H new ATOM 0 HA LEU A 25 3.313 1.872 2.766 1.00 64.03 H new ATOM 0 HB2 LEU A 25 2.053 2.645 0.099 1.00 25.25 H new ATOM 0 HB3 LEU A 25 1.185 2.301 1.582 1.00 25.25 H new ATOM 0 HG LEU A 25 3.166 4.594 1.290 1.00 24.32 H new ATOM 0 HD11 LEU A 25 1.204 6.090 1.102 1.00 72.32 H new ATOM 0 HD12 LEU A 25 1.310 4.951 -0.261 1.00 72.32 H new ATOM 0 HD13 LEU A 25 0.136 4.667 1.046 1.00 72.32 H new ATOM 0 HD21 LEU A 25 2.088 5.479 3.342 1.00 24.54 H new ATOM 0 HD22 LEU A 25 1.073 4.020 3.429 1.00 24.54 H new ATOM 0 HD23 LEU A 25 2.838 3.888 3.615 1.00 24.54 H new ATOM 404 N ALA A 26 3.378 -0.533 2.166 1.00 23.10 N ATOM 405 CA ALA A 26 3.491 -1.970 1.879 1.00 53.44 C ATOM 406 C ALA A 26 2.108 -2.667 1.921 1.00 10.01 C ATOM 407 O ALA A 26 1.499 -2.771 2.981 1.00 5.32 O ATOM 408 CB ALA A 26 4.469 -2.609 2.888 1.00 22.52 C ATOM 0 H ALA A 26 3.512 -0.302 3.150 1.00 23.10 H new ATOM 0 HA ALA A 26 3.878 -2.101 0.869 1.00 53.44 H new ATOM 0 HB1 ALA A 26 4.559 -3.676 2.682 1.00 22.52 H new ATOM 0 HB2 ALA A 26 5.447 -2.138 2.795 1.00 22.52 H new ATOM 0 HB3 ALA A 26 4.092 -2.465 3.901 1.00 22.52 H new ATOM 414 N CYS A 27 1.618 -3.124 0.747 1.00 61.44 N ATOM 415 CA CYS A 27 0.365 -3.920 0.628 1.00 51.20 C ATOM 416 C CYS A 27 0.579 -5.200 -0.208 1.00 41.33 C ATOM 417 O CYS A 27 1.346 -5.218 -1.172 1.00 35.14 O ATOM 418 CB CYS A 27 -0.800 -3.081 0.050 1.00 74.25 C ATOM 419 SG CYS A 27 -1.419 -1.828 1.190 1.00 4.31 S ATOM 0 H CYS A 27 2.077 -2.954 -0.148 1.00 61.44 H new ATOM 0 HA CYS A 27 0.090 -4.220 1.639 1.00 51.20 H new ATOM 0 HB2 CYS A 27 -0.467 -2.594 -0.867 1.00 74.25 H new ATOM 0 HB3 CYS A 27 -1.618 -3.748 -0.223 1.00 74.25 H new ATOM 0 HG CYS A 27 -1.443 -0.673 0.594 1.00 4.31 H new ATOM 425 N GLU A 28 -0.104 -6.268 0.209 1.00 33.24 N ATOM 426 CA GLU A 28 -0.045 -7.594 -0.406 1.00 35.23 C ATOM 427 C GLU A 28 -1.414 -8.283 -0.253 1.00 63.34 C ATOM 428 O GLU A 28 -1.944 -8.414 0.862 1.00 44.42 O ATOM 429 CB GLU A 28 1.078 -8.448 0.238 1.00 15.32 C ATOM 430 CG GLU A 28 1.337 -9.792 -0.472 1.00 2.14 C ATOM 431 CD GLU A 28 2.635 -10.462 -0.010 1.00 4.32 C ATOM 432 OE1 GLU A 28 3.726 -9.980 -0.397 1.00 11.13 O ATOM 433 OE2 GLU A 28 2.581 -11.461 0.734 1.00 1.02 O ATOM 0 H GLU A 28 -0.734 -6.232 1.010 1.00 33.24 H new ATOM 0 HA GLU A 28 0.187 -7.490 -1.466 1.00 35.23 H new ATOM 0 HB2 GLU A 28 2.001 -7.869 0.243 1.00 15.32 H new ATOM 0 HB3 GLU A 28 0.819 -8.644 1.278 1.00 15.32 H new ATOM 0 HG2 GLU A 28 0.499 -10.464 -0.286 1.00 2.14 H new ATOM 0 HG3 GLU A 28 1.381 -9.627 -1.549 1.00 2.14 H new ATOM 440 N VAL A 29 -1.984 -8.700 -1.387 1.00 74.11 N ATOM 441 CA VAL A 29 -3.315 -9.324 -1.457 1.00 72.34 C ATOM 442 C VAL A 29 -3.213 -10.871 -1.389 1.00 64.43 C ATOM 443 O VAL A 29 -2.239 -11.461 -1.867 1.00 14.34 O ATOM 444 CB VAL A 29 -4.069 -8.862 -2.766 1.00 30.00 C ATOM 445 CG1 VAL A 29 -4.364 -7.339 -2.724 1.00 74.14 C ATOM 446 CG2 VAL A 29 -3.290 -9.243 -4.054 1.00 11.34 C ATOM 0 H VAL A 29 -1.530 -8.614 -2.297 1.00 74.11 H new ATOM 0 HA VAL A 29 -3.893 -8.995 -0.593 1.00 72.34 H new ATOM 0 HB VAL A 29 -5.019 -9.396 -2.798 1.00 30.00 H new ATOM 0 HG11 VAL A 29 -4.884 -7.044 -3.636 1.00 74.14 H new ATOM 0 HG12 VAL A 29 -4.990 -7.113 -1.860 1.00 74.14 H new ATOM 0 HG13 VAL A 29 -3.426 -6.789 -2.646 1.00 74.14 H new ATOM 0 HG21 VAL A 29 -3.846 -8.906 -4.929 1.00 11.34 H new ATOM 0 HG22 VAL A 29 -2.310 -8.766 -4.041 1.00 11.34 H new ATOM 0 HG23 VAL A 29 -3.166 -10.325 -4.098 1.00 11.34 H new ATOM 456 N ASP A 30 -4.222 -11.507 -0.765 1.00 61.32 N ATOM 457 CA ASP A 30 -4.301 -12.986 -0.623 1.00 31.33 C ATOM 458 C ASP A 30 -4.510 -13.691 -1.993 1.00 42.14 C ATOM 459 O ASP A 30 -4.090 -14.834 -2.189 1.00 75.32 O ATOM 460 CB ASP A 30 -5.457 -13.337 0.346 1.00 14.13 C ATOM 461 CG ASP A 30 -5.558 -14.835 0.673 1.00 52.21 C ATOM 462 OD1 ASP A 30 -4.752 -15.323 1.493 1.00 43.40 O ATOM 463 OD2 ASP A 30 -6.439 -15.525 0.121 1.00 3.22 O ATOM 0 H ASP A 30 -5.010 -11.016 -0.342 1.00 61.32 H new ATOM 0 HA ASP A 30 -3.354 -13.345 -0.221 1.00 31.33 H new ATOM 0 HB2 ASP A 30 -5.323 -12.780 1.273 1.00 14.13 H new ATOM 0 HB3 ASP A 30 -6.399 -13.006 -0.091 1.00 14.13 H new ATOM 468 N ARG A 31 -5.168 -12.981 -2.928 1.00 62.23 N ATOM 469 CA ARG A 31 -5.534 -13.509 -4.257 1.00 43.45 C ATOM 470 C ARG A 31 -4.759 -12.766 -5.367 1.00 41.03 C ATOM 471 O ARG A 31 -4.915 -11.549 -5.535 1.00 24.52 O ATOM 472 CB ARG A 31 -7.065 -13.345 -4.467 1.00 42.35 C ATOM 473 CG ARG A 31 -7.619 -13.943 -5.774 1.00 42.41 C ATOM 474 CD ARG A 31 -9.120 -13.672 -5.964 1.00 32.34 C ATOM 475 NE ARG A 31 -9.642 -14.380 -7.143 1.00 71.41 N ATOM 476 CZ ARG A 31 -10.624 -13.978 -7.921 1.00 43.13 C ATOM 477 NH1 ARG A 31 -11.197 -12.834 -7.742 1.00 24.52 N ATOM 478 NH2 ARG A 31 -11.001 -14.733 -8.901 1.00 13.11 N ATOM 0 H ARG A 31 -5.464 -12.016 -2.782 1.00 62.23 H new ATOM 0 HA ARG A 31 -5.271 -14.565 -4.309 1.00 43.45 H new ATOM 0 HB2 ARG A 31 -7.582 -13.809 -3.627 1.00 42.35 H new ATOM 0 HB3 ARG A 31 -7.307 -12.282 -4.442 1.00 42.35 H new ATOM 0 HG2 ARG A 31 -7.070 -13.528 -6.619 1.00 42.41 H new ATOM 0 HG3 ARG A 31 -7.445 -15.019 -5.778 1.00 42.41 H new ATOM 0 HD2 ARG A 31 -9.665 -13.989 -5.075 1.00 32.34 H new ATOM 0 HD3 ARG A 31 -9.288 -12.601 -6.076 1.00 32.34 H new ATOM 0 HE ARG A 31 -9.200 -15.268 -7.380 1.00 71.41 H new ATOM 0 HH11 ARG A 31 -10.890 -12.223 -6.986 1.00 24.52 H new ATOM 0 HH12 ARG A 31 -11.957 -12.542 -8.357 1.00 24.52 H new ATOM 0 HH21 ARG A 31 -10.538 -15.628 -9.063 1.00 13.11 H new ATOM 0 HH22 ARG A 31 -11.761 -14.434 -9.512 1.00 13.11 H new ATOM 492 N GLU A 32 -3.933 -13.515 -6.122 1.00 74.22 N ATOM 493 CA GLU A 32 -3.167 -12.986 -7.273 1.00 40.53 C ATOM 494 C GLU A 32 -4.145 -12.675 -8.434 1.00 44.21 C ATOM 495 O GLU A 32 -4.351 -13.510 -9.325 1.00 61.14 O ATOM 496 CB GLU A 32 -2.069 -13.997 -7.755 1.00 75.32 C ATOM 497 CG GLU A 32 -1.034 -14.446 -6.698 1.00 62.40 C ATOM 498 CD GLU A 32 -1.585 -15.420 -5.640 1.00 33.53 C ATOM 499 OE1 GLU A 32 -1.727 -16.624 -5.948 1.00 71.44 O ATOM 500 OE2 GLU A 32 -1.897 -14.988 -4.510 1.00 74.22 O ATOM 0 H GLU A 32 -3.776 -14.508 -5.952 1.00 74.22 H new ATOM 0 HA GLU A 32 -2.658 -12.076 -6.956 1.00 40.53 H new ATOM 0 HB2 GLU A 32 -2.569 -14.885 -8.142 1.00 75.32 H new ATOM 0 HB3 GLU A 32 -1.531 -13.545 -8.589 1.00 75.32 H new ATOM 0 HG2 GLU A 32 -0.195 -14.919 -7.208 1.00 62.40 H new ATOM 0 HG3 GLU A 32 -0.643 -13.563 -6.192 1.00 62.40 H new ATOM 507 N ASP A 33 -4.763 -11.477 -8.383 1.00 13.13 N ATOM 508 CA ASP A 33 -5.888 -11.091 -9.272 1.00 75.43 C ATOM 509 C ASP A 33 -6.407 -9.671 -8.922 1.00 71.32 C ATOM 510 O ASP A 33 -6.732 -8.879 -9.815 1.00 42.23 O ATOM 511 CB ASP A 33 -7.064 -12.107 -9.137 1.00 71.42 C ATOM 512 CG ASP A 33 -8.211 -11.858 -10.132 1.00 70.44 C ATOM 513 OD1 ASP A 33 -8.064 -12.223 -11.320 1.00 62.20 O ATOM 514 OD2 ASP A 33 -9.254 -11.293 -9.741 1.00 31.33 O ATOM 0 H ASP A 33 -4.498 -10.745 -7.724 1.00 13.13 H new ATOM 0 HA ASP A 33 -5.516 -11.095 -10.297 1.00 75.43 H new ATOM 0 HB2 ASP A 33 -6.680 -13.116 -9.284 1.00 71.42 H new ATOM 0 HB3 ASP A 33 -7.458 -12.061 -8.122 1.00 71.42 H new ATOM 519 N ALA A 34 -6.490 -9.391 -7.603 1.00 11.04 N ATOM 520 CA ALA A 34 -7.138 -8.179 -7.037 1.00 23.23 C ATOM 521 C ALA A 34 -6.528 -6.834 -7.532 1.00 41.41 C ATOM 522 O ALA A 34 -5.387 -6.505 -7.165 1.00 31.21 O ATOM 523 CB ALA A 34 -7.077 -8.242 -5.505 1.00 54.52 C ATOM 0 H ALA A 34 -6.104 -10.007 -6.888 1.00 11.04 H new ATOM 0 HA ALA A 34 -8.168 -8.187 -7.393 1.00 23.23 H new ATOM 0 HB1 ALA A 34 -7.551 -7.355 -5.085 1.00 54.52 H new ATOM 0 HB2 ALA A 34 -7.600 -9.132 -5.156 1.00 54.52 H new ATOM 0 HB3 ALA A 34 -6.036 -8.284 -5.184 1.00 54.52 H new ATOM 529 N PRO A 35 -7.281 -6.028 -8.369 1.00 62.11 N ATOM 530 CA PRO A 35 -6.823 -4.695 -8.843 1.00 14.23 C ATOM 531 C PRO A 35 -6.969 -3.617 -7.735 1.00 32.01 C ATOM 532 O PRO A 35 -8.074 -3.130 -7.484 1.00 35.24 O ATOM 533 CB PRO A 35 -7.747 -4.397 -10.078 1.00 4.04 C ATOM 534 CG PRO A 35 -8.585 -5.641 -10.271 1.00 70.33 C ATOM 535 CD PRO A 35 -8.625 -6.331 -8.925 1.00 23.24 C ATOM 0 HA PRO A 35 -5.765 -4.682 -9.106 1.00 14.23 H new ATOM 0 HB2 PRO A 35 -8.376 -3.526 -9.895 1.00 4.04 H new ATOM 0 HB3 PRO A 35 -7.155 -4.182 -10.967 1.00 4.04 H new ATOM 0 HG2 PRO A 35 -9.590 -5.386 -10.609 1.00 70.33 H new ATOM 0 HG3 PRO A 35 -8.149 -6.291 -11.030 1.00 70.33 H new ATOM 0 HD2 PRO A 35 -9.423 -5.942 -8.293 1.00 23.24 H new ATOM 0 HD3 PRO A 35 -8.791 -7.404 -9.024 1.00 23.24 H new ATOM 543 N VAL A 36 -5.855 -3.266 -7.060 1.00 20.00 N ATOM 544 CA VAL A 36 -5.886 -2.311 -5.928 1.00 61.21 C ATOM 545 C VAL A 36 -6.091 -0.851 -6.413 1.00 73.05 C ATOM 546 O VAL A 36 -5.680 -0.478 -7.520 1.00 54.21 O ATOM 547 CB VAL A 36 -4.594 -2.414 -5.034 1.00 53.10 C ATOM 548 CG1 VAL A 36 -4.425 -3.853 -4.475 1.00 0.33 C ATOM 549 CG2 VAL A 36 -3.324 -1.947 -5.796 1.00 20.11 C ATOM 0 H VAL A 36 -4.926 -3.627 -7.276 1.00 20.00 H new ATOM 0 HA VAL A 36 -6.742 -2.589 -5.314 1.00 61.21 H new ATOM 0 HB VAL A 36 -4.722 -1.737 -4.190 1.00 53.10 H new ATOM 0 HG11 VAL A 36 -3.526 -3.901 -3.860 1.00 0.33 H new ATOM 0 HG12 VAL A 36 -5.293 -4.112 -3.869 1.00 0.33 H new ATOM 0 HG13 VAL A 36 -4.337 -4.557 -5.303 1.00 0.33 H new ATOM 0 HG21 VAL A 36 -2.455 -2.034 -5.143 1.00 20.11 H new ATOM 0 HG22 VAL A 36 -3.179 -2.571 -6.678 1.00 20.11 H new ATOM 0 HG23 VAL A 36 -3.445 -0.908 -6.102 1.00 20.11 H new ATOM 559 N ARG A 37 -6.745 -0.047 -5.566 1.00 45.13 N ATOM 560 CA ARG A 37 -7.001 1.386 -5.812 1.00 0.21 C ATOM 561 C ARG A 37 -6.563 2.184 -4.573 1.00 23.40 C ATOM 562 O ARG A 37 -7.225 2.136 -3.536 1.00 55.34 O ATOM 563 CB ARG A 37 -8.512 1.643 -6.105 1.00 54.24 C ATOM 564 CG ARG A 37 -9.080 0.876 -7.319 1.00 61.02 C ATOM 565 CD ARG A 37 -10.572 1.177 -7.571 1.00 75.43 C ATOM 566 NE ARG A 37 -10.808 2.596 -7.889 1.00 42.20 N ATOM 567 CZ ARG A 37 -11.987 3.153 -8.057 1.00 61.13 C ATOM 568 NH1 ARG A 37 -13.083 2.495 -7.869 1.00 42.04 N ATOM 569 NH2 ARG A 37 -12.051 4.392 -8.383 1.00 73.00 N ATOM 0 H ARG A 37 -7.119 -0.374 -4.675 1.00 45.13 H new ATOM 0 HA ARG A 37 -6.433 1.705 -6.686 1.00 0.21 H new ATOM 0 HB2 ARG A 37 -9.089 1.373 -5.221 1.00 54.24 H new ATOM 0 HB3 ARG A 37 -8.659 2.711 -6.268 1.00 54.24 H new ATOM 0 HG2 ARG A 37 -8.506 1.136 -8.208 1.00 61.02 H new ATOM 0 HG3 ARG A 37 -8.952 -0.195 -7.159 1.00 61.02 H new ATOM 0 HD2 ARG A 37 -10.932 0.558 -8.393 1.00 75.43 H new ATOM 0 HD3 ARG A 37 -11.150 0.903 -6.688 1.00 75.43 H new ATOM 0 HE ARG A 37 -9.989 3.196 -7.987 1.00 42.20 H new ATOM 0 HH11 ARG A 37 -13.048 1.517 -7.582 1.00 42.04 H new ATOM 0 HH12 ARG A 37 -13.983 2.954 -8.007 1.00 42.04 H new ATOM 0 HH21 ARG A 37 -11.194 4.931 -8.508 1.00 73.00 H new ATOM 0 HH22 ARG A 37 -12.959 4.838 -8.517 1.00 73.00 H new ATOM 583 N TRP A 38 -5.458 2.921 -4.687 1.00 4.32 N ATOM 584 CA TRP A 38 -4.917 3.718 -3.576 1.00 31.31 C ATOM 585 C TRP A 38 -5.647 5.071 -3.526 1.00 43.31 C ATOM 586 O TRP A 38 -5.997 5.613 -4.562 1.00 74.33 O ATOM 587 CB TRP A 38 -3.396 3.930 -3.776 1.00 43.11 C ATOM 588 CG TRP A 38 -2.582 2.663 -3.672 1.00 3.50 C ATOM 589 CD1 TRP A 38 -2.282 1.773 -4.670 1.00 2.21 C ATOM 590 CD2 TRP A 38 -1.960 2.158 -2.489 1.00 55.20 C ATOM 591 NE1 TRP A 38 -1.509 0.756 -4.173 1.00 62.31 N ATOM 592 CE2 TRP A 38 -1.300 0.966 -2.834 1.00 22.11 C ATOM 593 CE3 TRP A 38 -1.903 2.607 -1.167 1.00 60.35 C ATOM 594 CZ2 TRP A 38 -0.584 0.219 -1.905 1.00 30.44 C ATOM 595 CZ3 TRP A 38 -1.195 1.868 -0.247 1.00 72.31 C ATOM 596 CH2 TRP A 38 -0.544 0.683 -0.617 1.00 52.13 C ATOM 0 H TRP A 38 -4.912 2.985 -5.546 1.00 4.32 H new ATOM 0 HA TRP A 38 -5.071 3.193 -2.633 1.00 31.31 H new ATOM 0 HB2 TRP A 38 -3.227 4.379 -4.755 1.00 43.11 H new ATOM 0 HB3 TRP A 38 -3.038 4.642 -3.033 1.00 43.11 H new ATOM 0 HD1 TRP A 38 -2.607 1.860 -5.696 1.00 2.21 H new ATOM 0 HE1 TRP A 38 -1.147 -0.031 -4.712 1.00 62.31 H new ATOM 0 HE3 TRP A 38 -2.405 3.517 -0.873 1.00 60.35 H new ATOM 0 HZ2 TRP A 38 -0.079 -0.692 -2.188 1.00 30.44 H new ATOM 0 HZ3 TRP A 38 -1.140 2.207 0.777 1.00 72.31 H new ATOM 0 HH2 TRP A 38 0.001 0.124 0.129 1.00 52.13 H new ATOM 607 N TYR A 39 -5.924 5.575 -2.317 1.00 73.21 N ATOM 608 CA TYR A 39 -6.604 6.874 -2.109 1.00 3.31 C ATOM 609 C TYR A 39 -5.788 7.762 -1.171 1.00 2.20 C ATOM 610 O TYR A 39 -5.380 7.316 -0.115 1.00 0.32 O ATOM 611 CB TYR A 39 -8.024 6.667 -1.529 1.00 14.34 C ATOM 612 CG TYR A 39 -9.028 6.088 -2.525 1.00 40.32 C ATOM 613 CD1 TYR A 39 -9.648 6.910 -3.473 1.00 31.01 C ATOM 614 CD2 TYR A 39 -9.359 4.729 -2.522 1.00 11.15 C ATOM 615 CE1 TYR A 39 -10.561 6.391 -4.371 1.00 61.34 C ATOM 616 CE2 TYR A 39 -10.272 4.215 -3.422 1.00 74.25 C ATOM 617 CZ TYR A 39 -10.868 5.049 -4.340 1.00 4.20 C ATOM 618 OH TYR A 39 -11.778 4.537 -5.236 1.00 61.12 O ATOM 0 H TYR A 39 -5.685 5.097 -1.448 1.00 73.21 H new ATOM 0 HA TYR A 39 -6.691 7.365 -3.078 1.00 3.31 H new ATOM 0 HB2 TYR A 39 -7.959 6.003 -0.667 1.00 14.34 H new ATOM 0 HB3 TYR A 39 -8.399 7.624 -1.166 1.00 14.34 H new ATOM 0 HD1 TYR A 39 -9.410 7.963 -3.503 1.00 31.01 H new ATOM 0 HD2 TYR A 39 -8.893 4.071 -1.804 1.00 11.15 H new ATOM 0 HE1 TYR A 39 -11.033 7.037 -5.096 1.00 61.34 H new ATOM 0 HE2 TYR A 39 -10.517 3.163 -3.405 1.00 74.25 H new ATOM 0 HH TYR A 39 -11.882 3.575 -5.083 1.00 61.12 H new ATOM 628 N LYS A 40 -5.548 9.018 -1.579 1.00 52.14 N ATOM 629 CA LYS A 40 -4.921 10.038 -0.715 1.00 0.44 C ATOM 630 C LYS A 40 -6.035 10.696 0.177 1.00 11.35 C ATOM 631 O LYS A 40 -6.762 9.982 0.873 1.00 53.44 O ATOM 632 CB LYS A 40 -4.157 11.051 -1.628 1.00 12.23 C ATOM 633 CG LYS A 40 -3.137 11.962 -0.899 1.00 2.01 C ATOM 634 CD LYS A 40 -2.480 12.978 -1.863 1.00 60.42 C ATOM 635 CE LYS A 40 -1.491 13.928 -1.165 1.00 72.31 C ATOM 636 NZ LYS A 40 -2.126 14.705 -0.069 1.00 12.43 N ATOM 0 H LYS A 40 -5.781 9.357 -2.512 1.00 52.14 H new ATOM 0 HA LYS A 40 -4.188 9.611 -0.031 1.00 0.44 H new ATOM 0 HB2 LYS A 40 -3.631 10.492 -2.402 1.00 12.23 H new ATOM 0 HB3 LYS A 40 -4.888 11.683 -2.132 1.00 12.23 H new ATOM 0 HG2 LYS A 40 -3.639 12.498 -0.094 1.00 2.01 H new ATOM 0 HG3 LYS A 40 -2.364 11.346 -0.439 1.00 2.01 H new ATOM 0 HD2 LYS A 40 -1.957 12.435 -2.651 1.00 60.42 H new ATOM 0 HD3 LYS A 40 -3.260 13.567 -2.345 1.00 60.42 H new ATOM 0 HE2 LYS A 40 -0.660 13.350 -0.762 1.00 72.31 H new ATOM 0 HE3 LYS A 40 -1.074 14.617 -1.900 1.00 72.31 H new ATOM 0 HZ1 LYS A 40 -1.768 15.681 -0.083 1.00 12.43 H new ATOM 0 HZ2 LYS A 40 -3.158 14.713 -0.201 1.00 12.43 H new ATOM 0 HZ3 LYS A 40 -1.898 14.266 0.846 1.00 12.43 H new ATOM 650 N ASP A 41 -6.211 12.030 0.122 1.00 71.51 N ATOM 651 CA ASP A 41 -7.268 12.753 0.872 1.00 71.22 C ATOM 652 C ASP A 41 -8.576 12.847 0.027 1.00 32.54 C ATOM 653 O ASP A 41 -9.243 13.888 -0.024 1.00 53.41 O ATOM 654 CB ASP A 41 -6.720 14.146 1.292 1.00 33.22 C ATOM 655 CG ASP A 41 -6.189 14.986 0.115 1.00 24.00 C ATOM 656 OD1 ASP A 41 -5.080 14.693 -0.382 1.00 61.52 O ATOM 657 OD2 ASP A 41 -6.873 15.929 -0.324 1.00 22.30 O ATOM 0 H ASP A 41 -5.625 12.643 -0.444 1.00 71.51 H new ATOM 0 HA ASP A 41 -7.532 12.206 1.777 1.00 71.22 H new ATOM 0 HB2 ASP A 41 -7.512 14.701 1.794 1.00 33.22 H new ATOM 0 HB3 ASP A 41 -5.919 14.007 2.018 1.00 33.22 H new ATOM 662 N GLY A 42 -8.954 11.706 -0.597 1.00 23.11 N ATOM 663 CA GLY A 42 -10.100 11.640 -1.526 1.00 31.25 C ATOM 664 C GLY A 42 -9.697 11.697 -3.010 1.00 52.33 C ATOM 665 O GLY A 42 -10.529 11.464 -3.895 1.00 22.34 O ATOM 0 H GLY A 42 -8.476 10.814 -0.470 1.00 23.11 H new ATOM 0 HA2 GLY A 42 -10.652 10.718 -1.344 1.00 31.25 H new ATOM 0 HA3 GLY A 42 -10.779 12.465 -1.311 1.00 31.25 H new ATOM 669 N GLN A 43 -8.410 11.999 -3.277 1.00 45.43 N ATOM 670 CA GLN A 43 -7.882 12.240 -4.647 1.00 41.40 C ATOM 671 C GLN A 43 -7.718 10.950 -5.494 1.00 52.31 C ATOM 672 O GLN A 43 -7.920 10.983 -6.717 1.00 4.04 O ATOM 673 CB GLN A 43 -6.518 12.998 -4.537 1.00 61.20 C ATOM 674 CG GLN A 43 -5.807 13.331 -5.875 1.00 11.23 C ATOM 675 CD GLN A 43 -6.632 14.229 -6.811 1.00 21.21 C ATOM 676 OE1 GLN A 43 -7.380 13.754 -7.662 1.00 44.01 O ATOM 677 NE2 GLN A 43 -6.506 15.530 -6.664 1.00 40.33 N ATOM 0 H GLN A 43 -7.700 12.084 -2.549 1.00 45.43 H new ATOM 0 HA GLN A 43 -8.620 12.843 -5.175 1.00 41.40 H new ATOM 0 HB2 GLN A 43 -6.687 13.930 -3.998 1.00 61.20 H new ATOM 0 HB3 GLN A 43 -5.841 12.397 -3.930 1.00 61.20 H new ATOM 0 HG2 GLN A 43 -4.858 13.822 -5.659 1.00 11.23 H new ATOM 0 HG3 GLN A 43 -5.573 12.401 -6.393 1.00 11.23 H new ATOM 0 HE21 GLN A 43 -5.880 15.904 -5.951 1.00 40.33 H new ATOM 0 HE22 GLN A 43 -7.035 16.164 -7.263 1.00 40.33 H new ATOM 686 N GLU A 44 -7.377 9.833 -4.824 1.00 5.51 N ATOM 687 CA GLU A 44 -6.924 8.568 -5.467 1.00 11.21 C ATOM 688 C GLU A 44 -5.505 8.711 -6.073 1.00 75.42 C ATOM 689 O GLU A 44 -5.257 9.568 -6.929 1.00 54.21 O ATOM 690 CB GLU A 44 -7.935 8.013 -6.516 1.00 44.53 C ATOM 691 CG GLU A 44 -7.543 6.663 -7.155 1.00 71.30 C ATOM 692 CD GLU A 44 -8.647 6.069 -8.044 1.00 50.32 C ATOM 693 OE1 GLU A 44 -9.529 5.359 -7.521 1.00 62.13 O ATOM 694 OE2 GLU A 44 -8.649 6.328 -9.264 1.00 73.22 O ATOM 0 H GLU A 44 -7.406 9.775 -3.806 1.00 5.51 H new ATOM 0 HA GLU A 44 -6.877 7.828 -4.668 1.00 11.21 H new ATOM 0 HB2 GLU A 44 -8.907 7.901 -6.036 1.00 44.53 H new ATOM 0 HB3 GLU A 44 -8.054 8.751 -7.309 1.00 44.53 H new ATOM 0 HG2 GLU A 44 -6.640 6.799 -7.751 1.00 71.30 H new ATOM 0 HG3 GLU A 44 -7.300 5.952 -6.365 1.00 71.30 H new ATOM 701 N VAL A 45 -4.586 7.853 -5.610 1.00 61.11 N ATOM 702 CA VAL A 45 -3.160 7.906 -5.977 1.00 13.13 C ATOM 703 C VAL A 45 -2.872 7.023 -7.214 1.00 41.25 C ATOM 704 O VAL A 45 -3.030 5.797 -7.172 1.00 75.11 O ATOM 705 CB VAL A 45 -2.241 7.447 -4.786 1.00 45.13 C ATOM 706 CG1 VAL A 45 -0.740 7.712 -5.085 1.00 10.24 C ATOM 707 CG2 VAL A 45 -2.681 8.107 -3.463 1.00 24.14 C ATOM 0 H VAL A 45 -4.811 7.096 -4.965 1.00 61.11 H new ATOM 0 HA VAL A 45 -2.932 8.945 -6.216 1.00 13.13 H new ATOM 0 HB VAL A 45 -2.358 6.369 -4.675 1.00 45.13 H new ATOM 0 HG11 VAL A 45 -0.137 7.382 -4.239 1.00 10.24 H new ATOM 0 HG12 VAL A 45 -0.444 7.162 -5.978 1.00 10.24 H new ATOM 0 HG13 VAL A 45 -0.584 8.778 -5.247 1.00 10.24 H new ATOM 0 HG21 VAL A 45 -2.029 7.773 -2.655 1.00 24.14 H new ATOM 0 HG22 VAL A 45 -2.615 9.191 -3.558 1.00 24.14 H new ATOM 0 HG23 VAL A 45 -3.710 7.824 -3.240 1.00 24.14 H new ATOM 717 N GLU A 46 -2.467 7.673 -8.309 1.00 31.31 N ATOM 718 CA GLU A 46 -1.974 7.009 -9.541 1.00 64.44 C ATOM 719 C GLU A 46 -0.482 7.347 -9.747 1.00 62.32 C ATOM 720 O GLU A 46 0.070 8.194 -9.031 1.00 2.33 O ATOM 721 CB GLU A 46 -2.837 7.448 -10.757 1.00 20.05 C ATOM 722 CG GLU A 46 -2.998 8.977 -10.919 1.00 74.43 C ATOM 723 CD GLU A 46 -3.986 9.382 -12.030 1.00 15.42 C ATOM 724 OE1 GLU A 46 -5.135 8.894 -12.018 1.00 41.21 O ATOM 725 OE2 GLU A 46 -3.626 10.196 -12.908 1.00 31.30 O ATOM 0 H GLU A 46 -2.469 8.691 -8.375 1.00 31.31 H new ATOM 0 HA GLU A 46 -2.064 5.927 -9.444 1.00 64.44 H new ATOM 0 HB2 GLU A 46 -2.390 7.045 -11.666 1.00 20.05 H new ATOM 0 HB3 GLU A 46 -3.826 7.000 -10.663 1.00 20.05 H new ATOM 0 HG2 GLU A 46 -3.336 9.400 -9.973 1.00 74.43 H new ATOM 0 HG3 GLU A 46 -2.023 9.415 -11.134 1.00 74.43 H new ATOM 732 N GLU A 47 0.170 6.684 -10.722 1.00 40.12 N ATOM 733 CA GLU A 47 1.616 6.873 -10.988 1.00 0.11 C ATOM 734 C GLU A 47 1.898 8.321 -11.467 1.00 72.43 C ATOM 735 O GLU A 47 1.242 8.824 -12.385 1.00 44.23 O ATOM 736 CB GLU A 47 2.143 5.840 -12.030 1.00 55.31 C ATOM 737 CG GLU A 47 1.967 4.342 -11.640 1.00 45.12 C ATOM 738 CD GLU A 47 0.615 3.734 -12.083 1.00 31.23 C ATOM 739 OE1 GLU A 47 -0.411 3.947 -11.403 1.00 63.34 O ATOM 740 OE2 GLU A 47 0.568 3.073 -13.139 1.00 61.03 O ATOM 0 H GLU A 47 -0.280 6.010 -11.342 1.00 40.12 H new ATOM 0 HA GLU A 47 2.150 6.705 -10.053 1.00 0.11 H new ATOM 0 HB2 GLU A 47 1.632 6.013 -12.977 1.00 55.31 H new ATOM 0 HB3 GLU A 47 3.203 6.031 -12.200 1.00 55.31 H new ATOM 0 HG2 GLU A 47 2.777 3.763 -12.084 1.00 45.12 H new ATOM 0 HG3 GLU A 47 2.061 4.245 -10.558 1.00 45.12 H new ATOM 747 N SER A 48 2.877 8.973 -10.830 1.00 51.11 N ATOM 748 CA SER A 48 3.186 10.408 -11.033 1.00 23.32 C ATOM 749 C SER A 48 4.717 10.640 -11.012 1.00 53.12 C ATOM 750 O SER A 48 5.499 9.686 -10.921 1.00 14.30 O ATOM 751 CB SER A 48 2.466 11.234 -9.926 1.00 64.45 C ATOM 752 OG SER A 48 2.687 12.628 -10.054 1.00 30.41 O ATOM 0 H SER A 48 3.488 8.521 -10.150 1.00 51.11 H new ATOM 0 HA SER A 48 2.826 10.735 -12.009 1.00 23.32 H new ATOM 0 HB2 SER A 48 1.395 11.035 -9.968 1.00 64.45 H new ATOM 0 HB3 SER A 48 2.814 10.903 -8.947 1.00 64.45 H new ATOM 0 HG SER A 48 2.214 13.101 -9.338 1.00 30.41 H new ATOM 758 N ASP A 49 5.138 11.916 -11.101 1.00 31.25 N ATOM 759 CA ASP A 49 6.564 12.315 -11.089 1.00 72.42 C ATOM 760 C ASP A 49 7.270 11.909 -9.757 1.00 62.01 C ATOM 761 O ASP A 49 8.464 11.588 -9.746 1.00 55.02 O ATOM 762 CB ASP A 49 6.662 13.843 -11.332 1.00 74.21 C ATOM 763 CG ASP A 49 8.100 14.339 -11.557 1.00 2.35 C ATOM 764 OD1 ASP A 49 8.633 14.165 -12.673 1.00 1.02 O ATOM 765 OD2 ASP A 49 8.704 14.902 -10.626 1.00 11.51 O ATOM 0 H ASP A 49 4.497 12.705 -11.184 1.00 31.25 H new ATOM 0 HA ASP A 49 7.083 11.786 -11.888 1.00 72.42 H new ATOM 0 HB2 ASP A 49 6.056 14.104 -12.200 1.00 74.21 H new ATOM 0 HB3 ASP A 49 6.235 14.367 -10.476 1.00 74.21 H new ATOM 770 N PHE A 50 6.507 11.917 -8.642 1.00 70.04 N ATOM 771 CA PHE A 50 7.001 11.510 -7.299 1.00 50.44 C ATOM 772 C PHE A 50 6.286 10.231 -6.779 1.00 24.24 C ATOM 773 O PHE A 50 6.387 9.903 -5.596 1.00 63.22 O ATOM 774 CB PHE A 50 6.821 12.684 -6.290 1.00 75.33 C ATOM 775 CG PHE A 50 7.601 13.948 -6.661 1.00 70.32 C ATOM 776 CD1 PHE A 50 8.956 14.063 -6.348 1.00 34.10 C ATOM 777 CD2 PHE A 50 6.987 15.012 -7.326 1.00 65.42 C ATOM 778 CE1 PHE A 50 9.669 15.198 -6.682 1.00 4.13 C ATOM 779 CE2 PHE A 50 7.705 16.147 -7.659 1.00 21.25 C ATOM 780 CZ PHE A 50 9.044 16.239 -7.337 1.00 34.42 C ATOM 0 H PHE A 50 5.529 12.206 -8.643 1.00 70.04 H new ATOM 0 HA PHE A 50 8.061 11.271 -7.391 1.00 50.44 H new ATOM 0 HB2 PHE A 50 5.762 12.930 -6.220 1.00 75.33 H new ATOM 0 HB3 PHE A 50 7.137 12.351 -5.301 1.00 75.33 H new ATOM 0 HD1 PHE A 50 9.455 13.253 -5.837 1.00 34.10 H new ATOM 0 HD2 PHE A 50 5.940 14.948 -7.583 1.00 65.42 H new ATOM 0 HE1 PHE A 50 10.717 15.271 -6.430 1.00 4.13 H new ATOM 0 HE2 PHE A 50 7.217 16.962 -8.172 1.00 21.25 H new ATOM 0 HZ PHE A 50 9.602 17.126 -7.598 1.00 34.42 H new ATOM 790 N VAL A 51 5.580 9.490 -7.670 1.00 32.53 N ATOM 791 CA VAL A 51 4.832 8.254 -7.288 1.00 64.30 C ATOM 792 C VAL A 51 5.122 7.100 -8.276 1.00 51.01 C ATOM 793 O VAL A 51 4.955 7.265 -9.488 1.00 61.24 O ATOM 794 CB VAL A 51 3.263 8.477 -7.257 1.00 42.32 C ATOM 795 CG1 VAL A 51 2.533 7.208 -6.738 1.00 75.41 C ATOM 796 CG2 VAL A 51 2.864 9.736 -6.442 1.00 33.03 C ATOM 0 H VAL A 51 5.510 9.723 -8.660 1.00 32.53 H new ATOM 0 HA VAL A 51 5.178 8.000 -6.286 1.00 64.30 H new ATOM 0 HB VAL A 51 2.942 8.656 -8.283 1.00 42.32 H new ATOM 0 HG11 VAL A 51 1.458 7.386 -6.726 1.00 75.41 H new ATOM 0 HG12 VAL A 51 2.754 6.367 -7.395 1.00 75.41 H new ATOM 0 HG13 VAL A 51 2.874 6.979 -5.728 1.00 75.41 H new ATOM 0 HG21 VAL A 51 1.780 9.846 -6.450 1.00 33.03 H new ATOM 0 HG22 VAL A 51 3.210 9.629 -5.414 1.00 33.03 H new ATOM 0 HG23 VAL A 51 3.322 10.619 -6.889 1.00 33.03 H new ATOM 806 N VAL A 52 5.542 5.928 -7.752 1.00 42.12 N ATOM 807 CA VAL A 52 5.631 4.665 -8.535 1.00 44.04 C ATOM 808 C VAL A 52 4.941 3.512 -7.757 1.00 72.23 C ATOM 809 O VAL A 52 4.934 3.508 -6.521 1.00 3.15 O ATOM 810 CB VAL A 52 7.123 4.266 -8.904 1.00 12.51 C ATOM 811 CG1 VAL A 52 7.795 5.339 -9.802 1.00 42.12 C ATOM 812 CG2 VAL A 52 7.976 3.979 -7.642 1.00 40.34 C ATOM 0 H VAL A 52 5.829 5.825 -6.779 1.00 42.12 H new ATOM 0 HA VAL A 52 5.114 4.838 -9.479 1.00 44.04 H new ATOM 0 HB VAL A 52 7.070 3.340 -9.476 1.00 12.51 H new ATOM 0 HG11 VAL A 52 8.815 5.032 -10.034 1.00 42.12 H new ATOM 0 HG12 VAL A 52 7.229 5.446 -10.727 1.00 42.12 H new ATOM 0 HG13 VAL A 52 7.814 6.294 -9.276 1.00 42.12 H new ATOM 0 HG21 VAL A 52 8.989 3.710 -7.941 1.00 40.34 H new ATOM 0 HG22 VAL A 52 8.007 4.869 -7.014 1.00 40.34 H new ATOM 0 HG23 VAL A 52 7.532 3.156 -7.082 1.00 40.34 H new ATOM 822 N LEU A 53 4.337 2.556 -8.485 1.00 65.22 N ATOM 823 CA LEU A 53 3.665 1.372 -7.884 1.00 52.22 C ATOM 824 C LEU A 53 4.431 0.071 -8.237 1.00 15.43 C ATOM 825 O LEU A 53 4.845 -0.122 -9.383 1.00 63.33 O ATOM 826 CB LEU A 53 2.185 1.265 -8.373 1.00 22.35 C ATOM 827 CG LEU A 53 1.234 2.458 -8.018 1.00 11.34 C ATOM 828 CD1 LEU A 53 -0.202 2.213 -8.544 1.00 23.15 C ATOM 829 CD2 LEU A 53 1.227 2.740 -6.500 1.00 41.44 C ATOM 0 H LEU A 53 4.297 2.575 -9.504 1.00 65.22 H new ATOM 0 HA LEU A 53 3.667 1.500 -6.802 1.00 52.22 H new ATOM 0 HB2 LEU A 53 2.193 1.149 -9.457 1.00 22.35 H new ATOM 0 HB3 LEU A 53 1.755 0.353 -7.958 1.00 22.35 H new ATOM 0 HG LEU A 53 1.624 3.344 -8.519 1.00 11.34 H new ATOM 0 HD11 LEU A 53 -0.835 3.060 -8.280 1.00 23.15 H new ATOM 0 HD12 LEU A 53 -0.178 2.101 -9.628 1.00 23.15 H new ATOM 0 HD13 LEU A 53 -0.604 1.305 -8.094 1.00 23.15 H new ATOM 0 HD21 LEU A 53 0.557 3.573 -6.288 1.00 41.44 H new ATOM 0 HD22 LEU A 53 0.883 1.854 -5.967 1.00 41.44 H new ATOM 0 HD23 LEU A 53 2.235 2.992 -6.172 1.00 41.44 H new ATOM 841 N GLU A 54 4.619 -0.811 -7.238 1.00 62.12 N ATOM 842 CA GLU A 54 5.208 -2.157 -7.428 1.00 13.31 C ATOM 843 C GLU A 54 4.092 -3.211 -7.538 1.00 23.20 C ATOM 844 O GLU A 54 3.394 -3.496 -6.558 1.00 63.20 O ATOM 845 CB GLU A 54 6.161 -2.504 -6.249 1.00 43.22 C ATOM 846 CG GLU A 54 7.409 -1.606 -6.151 1.00 2.40 C ATOM 847 CD GLU A 54 8.223 -1.562 -7.459 1.00 14.42 C ATOM 848 OE1 GLU A 54 8.810 -2.603 -7.839 1.00 31.13 O ATOM 849 OE2 GLU A 54 8.249 -0.507 -8.127 1.00 12.23 O ATOM 0 H GLU A 54 4.366 -0.612 -6.270 1.00 62.12 H new ATOM 0 HA GLU A 54 5.786 -2.158 -8.352 1.00 13.31 H new ATOM 0 HB2 GLU A 54 5.604 -2.433 -5.315 1.00 43.22 H new ATOM 0 HB3 GLU A 54 6.482 -3.541 -6.351 1.00 43.22 H new ATOM 0 HG2 GLU A 54 7.102 -0.594 -5.886 1.00 2.40 H new ATOM 0 HG3 GLU A 54 8.047 -1.967 -5.344 1.00 2.40 H new ATOM 856 N ASN A 55 3.926 -3.787 -8.743 1.00 51.13 N ATOM 857 CA ASN A 55 2.836 -4.739 -9.045 1.00 63.41 C ATOM 858 C ASN A 55 3.412 -6.028 -9.677 1.00 45.44 C ATOM 859 O ASN A 55 3.928 -5.996 -10.800 1.00 61.05 O ATOM 860 CB ASN A 55 1.806 -4.080 -9.999 1.00 42.01 C ATOM 861 CG ASN A 55 1.261 -2.747 -9.471 1.00 24.10 C ATOM 862 OD1 ASN A 55 1.801 -1.685 -9.760 1.00 12.35 O ATOM 863 ND2 ASN A 55 0.201 -2.789 -8.684 1.00 43.11 N ATOM 0 H ASN A 55 4.542 -3.607 -9.536 1.00 51.13 H new ATOM 0 HA ASN A 55 2.331 -5.006 -8.117 1.00 63.41 H new ATOM 0 HB2 ASN A 55 2.273 -3.915 -10.970 1.00 42.01 H new ATOM 0 HB3 ASN A 55 0.975 -4.768 -10.158 1.00 42.01 H new ATOM 0 HD21 ASN A 55 -0.186 -1.926 -8.303 1.00 43.11 H new ATOM 0 HD22 ASN A 55 -0.231 -3.685 -8.458 1.00 43.11 H new ATOM 870 N GLU A 56 3.318 -7.153 -8.942 1.00 42.13 N ATOM 871 CA GLU A 56 3.796 -8.480 -9.397 1.00 62.24 C ATOM 872 C GLU A 56 3.140 -9.617 -8.560 1.00 44.41 C ATOM 873 O GLU A 56 3.377 -9.726 -7.361 1.00 73.52 O ATOM 874 CB GLU A 56 5.360 -8.558 -9.334 1.00 62.21 C ATOM 875 CG GLU A 56 5.987 -8.153 -7.977 1.00 43.30 C ATOM 876 CD GLU A 56 7.509 -8.363 -7.926 1.00 33.32 C ATOM 877 OE1 GLU A 56 7.944 -9.529 -7.789 1.00 55.43 O ATOM 878 OE2 GLU A 56 8.271 -7.379 -8.029 1.00 44.14 O ATOM 0 H GLU A 56 2.906 -7.170 -8.009 1.00 42.13 H new ATOM 0 HA GLU A 56 3.498 -8.615 -10.437 1.00 62.24 H new ATOM 0 HB2 GLU A 56 5.667 -9.578 -9.568 1.00 62.21 H new ATOM 0 HB3 GLU A 56 5.771 -7.915 -10.112 1.00 62.21 H new ATOM 0 HG2 GLU A 56 5.765 -7.104 -7.780 1.00 43.30 H new ATOM 0 HG3 GLU A 56 5.520 -8.733 -7.181 1.00 43.30 H new ATOM 885 N GLY A 57 2.291 -10.443 -9.205 1.00 5.03 N ATOM 886 CA GLY A 57 1.589 -11.560 -8.531 1.00 61.10 C ATOM 887 C GLY A 57 0.632 -11.122 -7.395 1.00 72.34 C ATOM 888 O GLY A 57 -0.407 -10.523 -7.675 1.00 43.14 O ATOM 0 H GLY A 57 2.073 -10.358 -10.198 1.00 5.03 H new ATOM 0 HA2 GLY A 57 1.019 -12.117 -9.275 1.00 61.10 H new ATOM 0 HA3 GLY A 57 2.331 -12.245 -8.120 1.00 61.10 H new ATOM 892 N PRO A 58 0.932 -11.446 -6.091 1.00 42.44 N ATOM 893 CA PRO A 58 0.174 -10.901 -4.935 1.00 35.20 C ATOM 894 C PRO A 58 0.725 -9.532 -4.421 1.00 15.14 C ATOM 895 O PRO A 58 0.070 -8.855 -3.622 1.00 60.14 O ATOM 896 CB PRO A 58 0.345 -12.021 -3.886 1.00 62.12 C ATOM 897 CG PRO A 58 1.720 -12.573 -4.146 1.00 71.54 C ATOM 898 CD PRO A 58 1.972 -12.422 -5.643 1.00 51.14 C ATOM 0 HA PRO A 58 -0.863 -10.671 -5.180 1.00 35.20 H new ATOM 0 HB2 PRO A 58 0.259 -11.631 -2.872 1.00 62.12 H new ATOM 0 HB3 PRO A 58 -0.419 -12.790 -3.998 1.00 62.12 H new ATOM 0 HG2 PRO A 58 2.471 -12.032 -3.570 1.00 71.54 H new ATOM 0 HG3 PRO A 58 1.781 -13.619 -3.846 1.00 71.54 H new ATOM 0 HD2 PRO A 58 2.978 -12.052 -5.843 1.00 51.14 H new ATOM 0 HD3 PRO A 58 1.874 -13.375 -6.162 1.00 51.14 H new ATOM 906 N HIS A 59 1.925 -9.134 -4.896 1.00 50.41 N ATOM 907 CA HIS A 59 2.616 -7.898 -4.451 1.00 63.01 C ATOM 908 C HIS A 59 2.027 -6.629 -5.115 1.00 32.21 C ATOM 909 O HIS A 59 2.083 -6.483 -6.333 1.00 31.34 O ATOM 910 CB HIS A 59 4.146 -7.994 -4.734 1.00 14.23 C ATOM 911 CG HIS A 59 4.889 -8.990 -3.872 1.00 62.43 C ATOM 912 ND1 HIS A 59 5.953 -8.637 -3.068 1.00 44.13 N ATOM 913 CD2 HIS A 59 4.720 -10.322 -3.685 1.00 1.32 C ATOM 914 CE1 HIS A 59 6.399 -9.697 -2.433 1.00 43.35 C ATOM 915 NE2 HIS A 59 5.672 -10.734 -2.788 1.00 75.34 N ATOM 0 H HIS A 59 2.445 -9.659 -5.599 1.00 50.41 H new ATOM 0 HA HIS A 59 2.456 -7.810 -3.376 1.00 63.01 H new ATOM 0 HB2 HIS A 59 4.292 -8.261 -5.781 1.00 14.23 H new ATOM 0 HB3 HIS A 59 4.590 -7.009 -4.591 1.00 14.23 H new ATOM 0 HD2 HIS A 59 3.973 -10.944 -4.156 1.00 1.32 H new ATOM 0 HE1 HIS A 59 7.224 -9.714 -1.736 1.00 43.35 H new ATOM 0 HE2 HIS A 59 5.796 -11.689 -2.451 1.00 75.34 H new ATOM 924 N ARG A 60 1.416 -5.745 -4.293 1.00 62.53 N ATOM 925 CA ARG A 60 0.890 -4.421 -4.732 1.00 64.44 C ATOM 926 C ARG A 60 1.309 -3.313 -3.717 1.00 25.21 C ATOM 927 O ARG A 60 0.473 -2.787 -2.971 1.00 42.21 O ATOM 928 CB ARG A 60 -0.670 -4.437 -4.911 1.00 55.23 C ATOM 929 CG ARG A 60 -1.212 -5.057 -6.232 1.00 11.22 C ATOM 930 CD ARG A 60 -1.272 -6.594 -6.237 1.00 40.52 C ATOM 931 NE ARG A 60 -1.773 -7.108 -7.525 1.00 71.44 N ATOM 932 CZ ARG A 60 -1.035 -7.625 -8.490 1.00 64.43 C ATOM 933 NH1 ARG A 60 0.259 -7.696 -8.406 1.00 72.24 N ATOM 934 NH2 ARG A 60 -1.621 -8.059 -9.556 1.00 41.45 N ATOM 0 H ARG A 60 1.271 -5.926 -3.300 1.00 62.53 H new ATOM 0 HA ARG A 60 1.326 -4.201 -5.706 1.00 64.44 H new ATOM 0 HB2 ARG A 60 -1.104 -4.985 -4.074 1.00 55.23 H new ATOM 0 HB3 ARG A 60 -1.032 -3.411 -4.842 1.00 55.23 H new ATOM 0 HG2 ARG A 60 -2.212 -4.666 -6.418 1.00 11.22 H new ATOM 0 HG3 ARG A 60 -0.582 -4.728 -7.058 1.00 11.22 H new ATOM 0 HD2 ARG A 60 -0.279 -6.999 -6.043 1.00 40.52 H new ATOM 0 HD3 ARG A 60 -1.919 -6.937 -5.430 1.00 40.52 H new ATOM 0 HE ARG A 60 -2.779 -7.060 -7.685 1.00 71.44 H new ATOM 0 HH11 ARG A 60 0.736 -7.346 -7.575 1.00 72.24 H new ATOM 0 HH12 ARG A 60 0.798 -8.102 -9.171 1.00 72.24 H new ATOM 0 HH21 ARG A 60 -2.636 -7.999 -9.641 1.00 41.45 H new ATOM 0 HH22 ARG A 60 -1.069 -8.462 -10.313 1.00 41.45 H new ATOM 948 N ARG A 61 2.615 -2.978 -3.679 1.00 74.22 N ATOM 949 CA ARG A 61 3.169 -2.002 -2.702 1.00 1.40 C ATOM 950 C ARG A 61 3.431 -0.627 -3.367 1.00 11.53 C ATOM 951 O ARG A 61 4.117 -0.552 -4.381 1.00 60.43 O ATOM 952 CB ARG A 61 4.492 -2.538 -2.077 1.00 35.42 C ATOM 953 CG ARG A 61 4.389 -3.931 -1.402 1.00 44.32 C ATOM 954 CD ARG A 61 5.603 -4.257 -0.492 1.00 22.34 C ATOM 955 NE ARG A 61 5.584 -5.619 0.106 1.00 31.45 N ATOM 956 CZ ARG A 61 4.756 -6.060 1.045 1.00 33.22 C ATOM 957 NH1 ARG A 61 3.690 -5.410 1.368 1.00 53.13 N ATOM 958 NH2 ARG A 61 4.957 -7.210 1.599 1.00 74.11 N ATOM 0 H ARG A 61 3.312 -3.367 -4.313 1.00 74.22 H new ATOM 0 HA ARG A 61 2.426 -1.872 -1.915 1.00 1.40 H new ATOM 0 HB2 ARG A 61 5.250 -2.586 -2.858 1.00 35.42 H new ATOM 0 HB3 ARG A 61 4.842 -1.819 -1.337 1.00 35.42 H new ATOM 0 HG2 ARG A 61 3.476 -3.974 -0.809 1.00 44.32 H new ATOM 0 HG3 ARG A 61 4.304 -4.697 -2.173 1.00 44.32 H new ATOM 0 HD2 ARG A 61 6.517 -4.144 -1.075 1.00 22.34 H new ATOM 0 HD3 ARG A 61 5.644 -3.522 0.312 1.00 22.34 H new ATOM 0 HE ARG A 61 6.278 -6.281 -0.241 1.00 31.45 H new ATOM 0 HH11 ARG A 61 3.465 -4.533 0.898 1.00 53.13 H new ATOM 0 HH12 ARG A 61 3.072 -5.773 2.094 1.00 53.13 H new ATOM 0 HH21 ARG A 61 5.753 -7.781 1.315 1.00 74.11 H new ATOM 0 HH22 ARG A 61 4.319 -7.547 2.320 1.00 74.11 H new ATOM 972 N LEU A 62 2.889 0.455 -2.777 1.00 43.02 N ATOM 973 CA LEU A 62 3.149 1.841 -3.229 1.00 5.42 C ATOM 974 C LEU A 62 4.540 2.307 -2.744 1.00 15.43 C ATOM 975 O LEU A 62 4.901 2.086 -1.591 1.00 71.54 O ATOM 976 CB LEU A 62 2.008 2.771 -2.704 1.00 60.42 C ATOM 977 CG LEU A 62 1.945 4.264 -3.222 1.00 63.41 C ATOM 978 CD1 LEU A 62 0.522 4.846 -3.065 1.00 55.30 C ATOM 979 CD2 LEU A 62 2.963 5.191 -2.521 1.00 22.41 C ATOM 0 H LEU A 62 2.260 0.397 -1.976 1.00 43.02 H new ATOM 0 HA LEU A 62 3.155 1.886 -4.318 1.00 5.42 H new ATOM 0 HB2 LEU A 62 1.057 2.297 -2.947 1.00 60.42 H new ATOM 0 HB3 LEU A 62 2.080 2.801 -1.617 1.00 60.42 H new ATOM 0 HG LEU A 62 2.211 4.225 -4.278 1.00 63.41 H new ATOM 0 HD11 LEU A 62 0.507 5.873 -3.429 1.00 55.30 H new ATOM 0 HD12 LEU A 62 -0.182 4.246 -3.642 1.00 55.30 H new ATOM 0 HD13 LEU A 62 0.236 4.829 -2.013 1.00 55.30 H new ATOM 0 HD21 LEU A 62 2.870 6.201 -2.920 1.00 22.41 H new ATOM 0 HD22 LEU A 62 2.765 5.205 -1.449 1.00 22.41 H new ATOM 0 HD23 LEU A 62 3.973 4.822 -2.698 1.00 22.41 H new ATOM 991 N VAL A 63 5.317 2.942 -3.635 1.00 12.55 N ATOM 992 CA VAL A 63 6.612 3.568 -3.284 1.00 20.25 C ATOM 993 C VAL A 63 6.527 5.101 -3.502 1.00 34.30 C ATOM 994 O VAL A 63 6.342 5.573 -4.634 1.00 3.33 O ATOM 995 CB VAL A 63 7.803 2.973 -4.130 1.00 3.02 C ATOM 996 CG1 VAL A 63 9.175 3.550 -3.682 1.00 11.11 C ATOM 997 CG2 VAL A 63 7.804 1.425 -4.093 1.00 20.20 C ATOM 0 H VAL A 63 5.070 3.039 -4.620 1.00 12.55 H new ATOM 0 HA VAL A 63 6.812 3.352 -2.235 1.00 20.25 H new ATOM 0 HB VAL A 63 7.647 3.279 -5.164 1.00 3.02 H new ATOM 0 HG11 VAL A 63 9.969 3.115 -4.289 1.00 11.11 H new ATOM 0 HG12 VAL A 63 9.173 4.633 -3.809 1.00 11.11 H new ATOM 0 HG13 VAL A 63 9.347 3.308 -2.633 1.00 11.11 H new ATOM 0 HG21 VAL A 63 8.637 1.047 -4.686 1.00 20.20 H new ATOM 0 HG22 VAL A 63 7.909 1.086 -3.062 1.00 20.20 H new ATOM 0 HG23 VAL A 63 6.867 1.051 -4.505 1.00 20.20 H new ATOM 1007 N LEU A 64 6.633 5.870 -2.400 1.00 33.45 N ATOM 1008 CA LEU A 64 6.648 7.356 -2.431 1.00 42.01 C ATOM 1009 C LEU A 64 8.082 7.860 -2.064 1.00 10.02 C ATOM 1010 O LEU A 64 8.402 7.991 -0.880 1.00 3.44 O ATOM 1011 CB LEU A 64 5.556 7.939 -1.451 1.00 2.40 C ATOM 1012 CG LEU A 64 4.749 9.194 -1.943 1.00 53.11 C ATOM 1013 CD1 LEU A 64 5.669 10.329 -2.427 1.00 54.10 C ATOM 1014 CD2 LEU A 64 3.724 8.800 -3.023 1.00 35.22 C ATOM 0 H LEU A 64 6.711 5.483 -1.460 1.00 33.45 H new ATOM 0 HA LEU A 64 6.402 7.708 -3.433 1.00 42.01 H new ATOM 0 HB2 LEU A 64 4.843 7.145 -1.228 1.00 2.40 H new ATOM 0 HB3 LEU A 64 6.047 8.199 -0.513 1.00 2.40 H new ATOM 0 HG LEU A 64 4.203 9.582 -1.083 1.00 53.11 H new ATOM 0 HD11 LEU A 64 5.063 11.173 -2.756 1.00 54.10 H new ATOM 0 HD12 LEU A 64 6.318 10.645 -1.610 1.00 54.10 H new ATOM 0 HD13 LEU A 64 6.279 9.974 -3.258 1.00 54.10 H new ATOM 0 HD21 LEU A 64 3.178 9.686 -3.347 1.00 35.22 H new ATOM 0 HD22 LEU A 64 4.244 8.362 -3.875 1.00 35.22 H new ATOM 0 HD23 LEU A 64 3.024 8.073 -2.612 1.00 35.22 H new ATOM 1026 N PRO A 65 8.971 8.126 -3.083 1.00 2.22 N ATOM 1027 CA PRO A 65 10.377 8.586 -2.852 1.00 4.34 C ATOM 1028 C PRO A 65 10.489 9.946 -2.092 1.00 21.12 C ATOM 1029 O PRO A 65 11.341 10.094 -1.210 1.00 52.43 O ATOM 1030 CB PRO A 65 10.961 8.678 -4.291 1.00 33.04 C ATOM 1031 CG PRO A 65 9.757 8.824 -5.173 1.00 3.51 C ATOM 1032 CD PRO A 65 8.696 7.966 -4.538 1.00 62.32 C ATOM 0 HA PRO A 65 10.918 7.901 -2.200 1.00 4.34 H new ATOM 0 HB2 PRO A 65 11.634 9.529 -4.393 1.00 33.04 H new ATOM 0 HB3 PRO A 65 11.534 7.786 -4.545 1.00 33.04 H new ATOM 0 HG2 PRO A 65 9.438 9.864 -5.234 1.00 3.51 H new ATOM 0 HG3 PRO A 65 9.972 8.496 -6.190 1.00 3.51 H new ATOM 0 HD2 PRO A 65 7.693 8.303 -4.800 1.00 62.32 H new ATOM 0 HD3 PRO A 65 8.775 6.925 -4.853 1.00 62.32 H new ATOM 1040 N ALA A 66 9.636 10.932 -2.435 1.00 3.32 N ATOM 1041 CA ALA A 66 9.625 12.257 -1.764 1.00 45.32 C ATOM 1042 C ALA A 66 8.202 12.602 -1.274 1.00 11.50 C ATOM 1043 O ALA A 66 7.415 13.230 -1.996 1.00 63.42 O ATOM 1044 CB ALA A 66 10.180 13.342 -2.709 1.00 4.02 C ATOM 0 H ALA A 66 8.941 10.839 -3.176 1.00 3.32 H new ATOM 0 HA ALA A 66 10.274 12.216 -0.889 1.00 45.32 H new ATOM 0 HB1 ALA A 66 10.165 14.307 -2.203 1.00 4.02 H new ATOM 0 HB2 ALA A 66 11.204 13.093 -2.987 1.00 4.02 H new ATOM 0 HB3 ALA A 66 9.563 13.393 -3.606 1.00 4.02 H new ATOM 1050 N THR A 67 7.876 12.150 -0.046 1.00 41.10 N ATOM 1051 CA THR A 67 6.525 12.307 0.556 1.00 14.45 C ATOM 1052 C THR A 67 6.202 13.775 0.912 1.00 21.10 C ATOM 1053 O THR A 67 5.033 14.164 0.907 1.00 21.43 O ATOM 1054 CB THR A 67 6.351 11.377 1.810 1.00 45.52 C ATOM 1055 OG1 THR A 67 6.707 10.032 1.448 1.00 53.30 O ATOM 1056 CG2 THR A 67 4.907 11.367 2.365 1.00 30.45 C ATOM 0 H THR A 67 8.538 11.665 0.561 1.00 41.10 H new ATOM 0 HA THR A 67 5.808 11.999 -0.205 1.00 14.45 H new ATOM 0 HB THR A 67 7.001 11.772 2.591 1.00 45.52 H new ATOM 0 HG1 THR A 67 7.678 9.920 1.519 1.00 53.30 H new ATOM 0 HG21 THR A 67 4.854 10.706 3.230 1.00 30.45 H new ATOM 0 HG22 THR A 67 4.625 12.377 2.662 1.00 30.45 H new ATOM 0 HG23 THR A 67 4.223 11.011 1.594 1.00 30.45 H new ATOM 1064 N GLN A 68 7.244 14.588 1.241 1.00 73.30 N ATOM 1065 CA GLN A 68 7.096 16.072 1.409 1.00 65.12 C ATOM 1066 C GLN A 68 6.078 16.446 2.545 1.00 64.51 C ATOM 1067 O GLN A 68 5.609 15.554 3.247 1.00 13.30 O ATOM 1068 CB GLN A 68 6.713 16.686 0.018 1.00 63.52 C ATOM 1069 CG GLN A 68 7.803 16.514 -1.059 1.00 32.22 C ATOM 1070 CD GLN A 68 7.377 17.009 -2.440 1.00 31.40 C ATOM 1071 OE1 GLN A 68 7.571 18.171 -2.789 1.00 31.41 O ATOM 1072 NE2 GLN A 68 6.788 16.133 -3.231 1.00 31.43 N ATOM 0 H GLN A 68 8.193 14.248 1.396 1.00 73.30 H new ATOM 0 HA GLN A 68 8.043 16.500 1.738 1.00 65.12 H new ATOM 0 HB2 GLN A 68 5.792 16.221 -0.333 1.00 63.52 H new ATOM 0 HB3 GLN A 68 6.505 17.748 0.145 1.00 63.52 H new ATOM 0 HG2 GLN A 68 8.698 17.053 -0.748 1.00 32.22 H new ATOM 0 HG3 GLN A 68 8.073 15.460 -1.127 1.00 32.22 H new ATOM 0 HE21 GLN A 68 6.641 15.175 -2.912 1.00 31.43 H new ATOM 0 HE22 GLN A 68 6.479 16.413 -4.162 1.00 31.43 H new ATOM 1081 N PRO A 69 5.775 17.764 2.826 1.00 64.33 N ATOM 1082 CA PRO A 69 4.576 18.130 3.638 1.00 23.40 C ATOM 1083 C PRO A 69 3.248 17.830 2.889 1.00 64.24 C ATOM 1084 O PRO A 69 2.243 17.444 3.490 1.00 13.15 O ATOM 1085 CB PRO A 69 4.749 19.653 3.901 1.00 62.13 C ATOM 1086 CG PRO A 69 6.187 19.945 3.587 1.00 41.35 C ATOM 1087 CD PRO A 69 6.585 18.968 2.505 1.00 2.55 C ATOM 0 HA PRO A 69 4.512 17.549 4.558 1.00 23.40 H new ATOM 0 HB2 PRO A 69 4.081 20.240 3.270 1.00 62.13 H new ATOM 0 HB3 PRO A 69 4.513 19.903 4.935 1.00 62.13 H new ATOM 0 HG2 PRO A 69 6.311 20.974 3.248 1.00 41.35 H new ATOM 0 HG3 PRO A 69 6.812 19.823 4.472 1.00 41.35 H new ATOM 0 HD2 PRO A 69 6.359 19.353 1.511 1.00 2.55 H new ATOM 0 HD3 PRO A 69 7.653 18.753 2.528 1.00 2.55 H new ATOM 1095 N SER A 70 3.290 17.998 1.557 1.00 63.22 N ATOM 1096 CA SER A 70 2.115 17.911 0.667 1.00 64.11 C ATOM 1097 C SER A 70 1.623 16.449 0.425 1.00 4.12 C ATOM 1098 O SER A 70 0.472 16.120 0.750 1.00 63.34 O ATOM 1099 CB SER A 70 2.459 18.607 -0.673 1.00 41.05 C ATOM 1100 OG SER A 70 3.670 18.101 -1.228 1.00 74.14 O ATOM 0 H SER A 70 4.156 18.202 1.057 1.00 63.22 H new ATOM 0 HA SER A 70 1.285 18.417 1.160 1.00 64.11 H new ATOM 0 HB2 SER A 70 1.643 18.459 -1.381 1.00 41.05 H new ATOM 0 HB3 SER A 70 2.552 19.681 -0.513 1.00 41.05 H new ATOM 0 HG SER A 70 3.486 17.267 -1.709 1.00 74.14 H new ATOM 1106 N ASP A 71 2.511 15.562 -0.092 1.00 11.53 N ATOM 1107 CA ASP A 71 2.128 14.192 -0.577 1.00 24.34 C ATOM 1108 C ASP A 71 1.857 13.163 0.576 1.00 53.32 C ATOM 1109 O ASP A 71 1.847 11.948 0.341 1.00 22.31 O ATOM 1110 CB ASP A 71 3.207 13.642 -1.561 1.00 30.52 C ATOM 1111 CG ASP A 71 3.322 14.466 -2.849 1.00 71.10 C ATOM 1112 OD1 ASP A 71 3.943 15.553 -2.817 1.00 24.04 O ATOM 1113 OD2 ASP A 71 2.745 14.066 -3.883 1.00 43.53 O ATOM 0 H ASP A 71 3.506 15.764 -0.188 1.00 11.53 H new ATOM 0 HA ASP A 71 1.179 14.311 -1.101 1.00 24.34 H new ATOM 0 HB2 ASP A 71 4.174 13.627 -1.059 1.00 30.52 H new ATOM 0 HB3 ASP A 71 2.965 12.611 -1.817 1.00 30.52 H new ATOM 1118 N GLY A 72 1.630 13.662 1.807 1.00 13.41 N ATOM 1119 CA GLY A 72 1.137 12.841 2.930 1.00 74.22 C ATOM 1120 C GLY A 72 -0.391 12.656 2.926 1.00 51.21 C ATOM 1121 O GLY A 72 -1.039 12.740 1.875 1.00 42.32 O ATOM 0 H GLY A 72 1.782 14.641 2.050 1.00 13.41 H new ATOM 0 HA2 GLY A 72 1.614 11.862 2.892 1.00 74.22 H new ATOM 0 HA3 GLY A 72 1.437 13.305 3.869 1.00 74.22 H new ATOM 1125 N GLY A 73 -0.969 12.408 4.111 1.00 14.00 N ATOM 1126 CA GLY A 73 -2.412 12.125 4.250 1.00 62.00 C ATOM 1127 C GLY A 73 -2.693 10.657 4.579 1.00 52.31 C ATOM 1128 O GLY A 73 -1.765 9.866 4.760 1.00 42.15 O ATOM 0 H GLY A 73 -0.458 12.397 4.994 1.00 14.00 H new ATOM 0 HA2 GLY A 73 -2.829 12.756 5.035 1.00 62.00 H new ATOM 0 HA3 GLY A 73 -2.922 12.390 3.324 1.00 62.00 H new ATOM 1132 N GLU A 74 -3.976 10.286 4.669 1.00 73.50 N ATOM 1133 CA GLU A 74 -4.383 8.890 4.931 1.00 54.34 C ATOM 1134 C GLU A 74 -4.521 8.105 3.607 1.00 75.10 C ATOM 1135 O GLU A 74 -5.233 8.537 2.704 1.00 70.43 O ATOM 1136 CB GLU A 74 -5.703 8.872 5.736 1.00 32.11 C ATOM 1137 CG GLU A 74 -5.590 9.547 7.125 1.00 64.21 C ATOM 1138 CD GLU A 74 -6.825 9.324 8.010 1.00 44.44 C ATOM 1139 OE1 GLU A 74 -6.927 8.249 8.640 1.00 53.45 O ATOM 1140 OE2 GLU A 74 -7.700 10.217 8.076 1.00 2.03 O ATOM 0 H GLU A 74 -4.758 10.933 4.564 1.00 73.50 H new ATOM 0 HA GLU A 74 -3.612 8.399 5.524 1.00 54.34 H new ATOM 0 HB2 GLU A 74 -6.478 9.376 5.158 1.00 32.11 H new ATOM 0 HB3 GLU A 74 -6.024 7.839 5.868 1.00 32.11 H new ATOM 0 HG2 GLU A 74 -4.709 9.161 7.638 1.00 64.21 H new ATOM 0 HG3 GLU A 74 -5.437 10.618 6.990 1.00 64.21 H new ATOM 1147 N PHE A 75 -3.819 6.959 3.492 1.00 72.20 N ATOM 1148 CA PHE A 75 -3.788 6.149 2.250 1.00 22.12 C ATOM 1149 C PHE A 75 -4.561 4.822 2.409 1.00 12.24 C ATOM 1150 O PHE A 75 -4.181 3.959 3.195 1.00 61.41 O ATOM 1151 CB PHE A 75 -2.326 5.894 1.818 1.00 51.23 C ATOM 1152 CG PHE A 75 -1.591 7.163 1.373 1.00 35.12 C ATOM 1153 CD1 PHE A 75 -0.923 7.973 2.288 1.00 60.11 C ATOM 1154 CD2 PHE A 75 -1.573 7.542 0.032 1.00 72.25 C ATOM 1155 CE1 PHE A 75 -0.264 9.118 1.878 1.00 2.11 C ATOM 1156 CE2 PHE A 75 -0.913 8.688 -0.375 1.00 20.32 C ATOM 1157 CZ PHE A 75 -0.260 9.473 0.546 1.00 33.20 C ATOM 0 H PHE A 75 -3.260 6.568 4.250 1.00 72.20 H new ATOM 0 HA PHE A 75 -4.291 6.716 1.467 1.00 22.12 H new ATOM 0 HB2 PHE A 75 -1.784 5.442 2.648 1.00 51.23 H new ATOM 0 HB3 PHE A 75 -2.317 5.173 1.001 1.00 51.23 H new ATOM 0 HD1 PHE A 75 -0.919 7.703 3.334 1.00 60.11 H new ATOM 0 HD2 PHE A 75 -2.082 6.932 -0.700 1.00 72.25 H new ATOM 0 HE1 PHE A 75 0.248 9.734 2.602 1.00 2.11 H new ATOM 0 HE2 PHE A 75 -0.911 8.967 -1.418 1.00 20.32 H new ATOM 0 HZ PHE A 75 0.255 10.367 0.226 1.00 33.20 H new ATOM 1167 N GLN A 76 -5.651 4.675 1.634 1.00 73.45 N ATOM 1168 CA GLN A 76 -6.516 3.473 1.646 1.00 52.11 C ATOM 1169 C GLN A 76 -6.378 2.687 0.316 1.00 3.32 C ATOM 1170 O GLN A 76 -6.664 3.222 -0.756 1.00 4.21 O ATOM 1171 CB GLN A 76 -7.990 3.897 1.878 1.00 54.21 C ATOM 1172 CG GLN A 76 -9.002 2.730 1.919 1.00 15.04 C ATOM 1173 CD GLN A 76 -10.469 3.169 2.058 1.00 1.10 C ATOM 1174 OE1 GLN A 76 -10.828 4.314 1.503 1.00 31.11 O flip ATOM 1175 NE2 GLN A 76 -11.282 2.462 2.637 1.00 12.24 N flip ATOM 0 H GLN A 76 -5.962 5.390 0.976 1.00 73.45 H new ATOM 0 HA GLN A 76 -6.202 2.817 2.458 1.00 52.11 H new ATOM 0 HB2 GLN A 76 -8.052 4.446 2.818 1.00 54.21 H new ATOM 0 HB3 GLN A 76 -8.284 4.586 1.086 1.00 54.21 H new ATOM 0 HG2 GLN A 76 -8.896 2.141 1.008 1.00 15.04 H new ATOM 0 HG3 GLN A 76 -8.750 2.075 2.753 1.00 15.04 H new ATOM 0 HE21 GLN A 76 -10.984 1.582 3.058 1.00 12.24 H new ATOM 0 HE22 GLN A 76 -12.258 2.752 2.698 1.00 12.24 H new ATOM 1184 N CYS A 77 -5.940 1.415 0.407 1.00 32.41 N ATOM 1185 CA CYS A 77 -5.729 0.530 -0.767 1.00 43.43 C ATOM 1186 C CYS A 77 -6.913 -0.456 -0.943 1.00 0.23 C ATOM 1187 O CYS A 77 -6.950 -1.513 -0.311 1.00 13.24 O ATOM 1188 CB CYS A 77 -4.403 -0.243 -0.585 1.00 23.00 C ATOM 1189 SG CYS A 77 -4.007 -1.393 -1.918 1.00 72.14 S ATOM 0 H CYS A 77 -5.721 0.967 1.297 1.00 32.41 H new ATOM 0 HA CYS A 77 -5.675 1.142 -1.667 1.00 43.43 H new ATOM 0 HB2 CYS A 77 -3.590 0.476 -0.491 1.00 23.00 H new ATOM 0 HB3 CYS A 77 -4.448 -0.797 0.352 1.00 23.00 H new ATOM 0 HG CYS A 77 -2.986 -0.947 -2.587 1.00 72.14 H new ATOM 1195 N VAL A 78 -7.875 -0.102 -1.816 1.00 62.52 N ATOM 1196 CA VAL A 78 -9.101 -0.902 -2.061 1.00 32.01 C ATOM 1197 C VAL A 78 -8.880 -1.930 -3.204 1.00 25.05 C ATOM 1198 O VAL A 78 -8.843 -1.565 -4.381 1.00 4.20 O ATOM 1199 CB VAL A 78 -10.327 0.031 -2.404 1.00 33.41 C ATOM 1200 CG1 VAL A 78 -11.641 -0.781 -2.578 1.00 62.33 C ATOM 1201 CG2 VAL A 78 -10.492 1.145 -1.335 1.00 30.14 C ATOM 0 H VAL A 78 -7.828 0.749 -2.376 1.00 62.52 H new ATOM 0 HA VAL A 78 -9.324 -1.447 -1.144 1.00 32.01 H new ATOM 0 HB VAL A 78 -10.116 0.508 -3.361 1.00 33.41 H new ATOM 0 HG11 VAL A 78 -12.460 -0.101 -2.813 1.00 62.33 H new ATOM 0 HG12 VAL A 78 -11.520 -1.499 -3.390 1.00 62.33 H new ATOM 0 HG13 VAL A 78 -11.865 -1.313 -1.653 1.00 62.33 H new ATOM 0 HG21 VAL A 78 -11.343 1.775 -1.594 1.00 30.14 H new ATOM 0 HG22 VAL A 78 -10.660 0.690 -0.359 1.00 30.14 H new ATOM 0 HG23 VAL A 78 -9.588 1.753 -1.301 1.00 30.14 H new ATOM 1211 N ALA A 79 -8.733 -3.211 -2.831 1.00 35.34 N ATOM 1212 CA ALA A 79 -8.475 -4.317 -3.785 1.00 72.02 C ATOM 1213 C ALA A 79 -9.789 -4.881 -4.371 1.00 2.11 C ATOM 1214 O ALA A 79 -9.947 -5.010 -5.592 1.00 4.45 O ATOM 1215 CB ALA A 79 -7.679 -5.421 -3.072 1.00 45.03 C ATOM 0 H ALA A 79 -8.789 -3.516 -1.859 1.00 35.34 H new ATOM 0 HA ALA A 79 -7.894 -3.929 -4.621 1.00 72.02 H new ATOM 0 HB1 ALA A 79 -7.486 -6.237 -3.768 1.00 45.03 H new ATOM 0 HB2 ALA A 79 -6.732 -5.015 -2.717 1.00 45.03 H new ATOM 0 HB3 ALA A 79 -8.254 -5.795 -2.225 1.00 45.03 H new ATOM 1221 N GLY A 80 -10.726 -5.201 -3.468 1.00 34.13 N ATOM 1222 CA GLY A 80 -12.012 -5.819 -3.826 1.00 44.23 C ATOM 1223 C GLY A 80 -12.659 -6.468 -2.597 1.00 74.54 C ATOM 1224 O GLY A 80 -12.127 -7.461 -2.088 1.00 63.13 O ATOM 0 H GLY A 80 -10.614 -5.039 -2.467 1.00 34.13 H new ATOM 0 HA2 GLY A 80 -12.681 -5.065 -4.241 1.00 44.23 H new ATOM 0 HA3 GLY A 80 -11.858 -6.569 -4.601 1.00 44.23 H new ATOM 1228 N ASP A 81 -13.790 -5.887 -2.124 1.00 20.43 N ATOM 1229 CA ASP A 81 -14.417 -6.189 -0.804 1.00 2.51 C ATOM 1230 C ASP A 81 -13.544 -5.637 0.358 1.00 52.43 C ATOM 1231 O ASP A 81 -13.944 -4.718 1.079 1.00 51.22 O ATOM 1232 CB ASP A 81 -14.724 -7.709 -0.623 1.00 20.40 C ATOM 1233 CG ASP A 81 -15.352 -8.050 0.746 1.00 1.40 C ATOM 1234 OD1 ASP A 81 -16.583 -7.928 0.888 1.00 22.33 O ATOM 1235 OD2 ASP A 81 -14.617 -8.442 1.684 1.00 71.33 O ATOM 0 H ASP A 81 -14.304 -5.183 -2.655 1.00 20.43 H new ATOM 0 HA ASP A 81 -15.380 -5.679 -0.778 1.00 2.51 H new ATOM 0 HB2 ASP A 81 -15.400 -8.032 -1.415 1.00 20.40 H new ATOM 0 HB3 ASP A 81 -13.800 -8.275 -0.742 1.00 20.40 H new ATOM 1240 N GLU A 82 -12.352 -6.220 0.507 1.00 21.03 N ATOM 1241 CA GLU A 82 -11.350 -5.827 1.514 1.00 3.31 C ATOM 1242 C GLU A 82 -10.466 -4.649 1.025 1.00 34.20 C ATOM 1243 O GLU A 82 -10.279 -4.432 -0.184 1.00 61.20 O ATOM 1244 CB GLU A 82 -10.483 -7.066 1.854 1.00 33.33 C ATOM 1245 CG GLU A 82 -11.160 -8.097 2.789 1.00 51.22 C ATOM 1246 CD GLU A 82 -10.965 -7.759 4.277 1.00 50.42 C ATOM 1247 OE1 GLU A 82 -9.835 -7.952 4.785 1.00 72.51 O ATOM 1248 OE2 GLU A 82 -11.913 -7.266 4.927 1.00 62.14 O ATOM 0 H GLU A 82 -12.045 -6.996 -0.080 1.00 21.03 H new ATOM 0 HA GLU A 82 -11.865 -5.475 2.408 1.00 3.31 H new ATOM 0 HB2 GLU A 82 -10.208 -7.565 0.925 1.00 33.33 H new ATOM 0 HB3 GLU A 82 -9.558 -6.727 2.320 1.00 33.33 H new ATOM 0 HG2 GLU A 82 -12.226 -8.140 2.566 1.00 51.22 H new ATOM 0 HG3 GLU A 82 -10.752 -9.088 2.588 1.00 51.22 H new ATOM 1255 N CYS A 83 -9.912 -3.919 2.007 1.00 21.21 N ATOM 1256 CA CYS A 83 -9.064 -2.737 1.781 1.00 35.22 C ATOM 1257 C CYS A 83 -8.072 -2.534 2.948 1.00 63.11 C ATOM 1258 O CYS A 83 -8.389 -2.828 4.108 1.00 13.10 O ATOM 1259 CB CYS A 83 -9.945 -1.480 1.624 1.00 31.41 C ATOM 1260 SG CYS A 83 -10.997 -1.136 3.051 1.00 13.30 S ATOM 0 H CYS A 83 -10.043 -4.137 2.995 1.00 21.21 H new ATOM 0 HA CYS A 83 -8.492 -2.899 0.867 1.00 35.22 H new ATOM 0 HB2 CYS A 83 -9.302 -0.619 1.444 1.00 31.41 H new ATOM 0 HB3 CYS A 83 -10.574 -1.598 0.742 1.00 31.41 H new ATOM 0 HG CYS A 83 -10.343 -0.409 3.907 1.00 13.30 H new ATOM 1266 N ALA A 84 -6.871 -2.025 2.619 1.00 73.25 N ATOM 1267 CA ALA A 84 -5.811 -1.695 3.598 1.00 54.43 C ATOM 1268 C ALA A 84 -5.881 -0.204 3.994 1.00 22.04 C ATOM 1269 O ALA A 84 -6.353 0.626 3.215 1.00 44.13 O ATOM 1270 CB ALA A 84 -4.434 -2.028 3.002 1.00 22.14 C ATOM 0 H ALA A 84 -6.603 -1.828 1.655 1.00 73.25 H new ATOM 0 HA ALA A 84 -5.964 -2.292 4.497 1.00 54.43 H new ATOM 0 HB1 ALA A 84 -3.656 -1.784 3.725 1.00 22.14 H new ATOM 0 HB2 ALA A 84 -4.388 -3.091 2.764 1.00 22.14 H new ATOM 0 HB3 ALA A 84 -4.280 -1.446 2.093 1.00 22.14 H new ATOM 1276 N TYR A 85 -5.408 0.122 5.208 1.00 13.53 N ATOM 1277 CA TYR A 85 -5.444 1.500 5.758 1.00 33.43 C ATOM 1278 C TYR A 85 -4.051 1.943 6.264 1.00 14.22 C ATOM 1279 O TYR A 85 -3.361 1.203 6.978 1.00 22.22 O ATOM 1280 CB TYR A 85 -6.480 1.605 6.911 1.00 34.43 C ATOM 1281 CG TYR A 85 -7.949 1.500 6.469 1.00 73.25 C ATOM 1282 CD1 TYR A 85 -8.576 0.259 6.307 1.00 14.20 C ATOM 1283 CD2 TYR A 85 -8.711 2.646 6.215 1.00 31.31 C ATOM 1284 CE1 TYR A 85 -9.897 0.170 5.915 1.00 21.44 C ATOM 1285 CE2 TYR A 85 -10.036 2.556 5.824 1.00 55.54 C ATOM 1286 CZ TYR A 85 -10.622 1.317 5.676 1.00 31.41 C ATOM 1287 OH TYR A 85 -11.943 1.222 5.280 1.00 10.41 O ATOM 0 H TYR A 85 -4.988 -0.558 5.841 1.00 13.53 H new ATOM 0 HA TYR A 85 -5.743 2.166 4.948 1.00 33.43 H new ATOM 0 HB2 TYR A 85 -6.276 0.817 7.637 1.00 34.43 H new ATOM 0 HB3 TYR A 85 -6.337 2.556 7.424 1.00 34.43 H new ATOM 0 HD1 TYR A 85 -8.016 -0.646 6.492 1.00 14.20 H new ATOM 0 HD2 TYR A 85 -8.257 3.619 6.326 1.00 31.31 H new ATOM 0 HE1 TYR A 85 -10.361 -0.798 5.796 1.00 21.44 H new ATOM 0 HE2 TYR A 85 -10.608 3.453 5.636 1.00 55.54 H new ATOM 0 HH TYR A 85 -12.021 0.565 4.557 1.00 10.41 H new ATOM 1297 N PHE A 86 -3.656 3.161 5.868 1.00 12.03 N ATOM 1298 CA PHE A 86 -2.452 3.855 6.358 1.00 41.45 C ATOM 1299 C PHE A 86 -2.834 5.282 6.788 1.00 21.40 C ATOM 1300 O PHE A 86 -3.779 5.869 6.250 1.00 41.44 O ATOM 1301 CB PHE A 86 -1.352 3.934 5.264 1.00 44.20 C ATOM 1302 CG PHE A 86 -0.814 2.586 4.792 1.00 75.33 C ATOM 1303 CD1 PHE A 86 0.243 1.964 5.460 1.00 31.33 C ATOM 1304 CD2 PHE A 86 -1.356 1.947 3.675 1.00 13.11 C ATOM 1305 CE1 PHE A 86 0.737 0.748 5.026 1.00 73.12 C ATOM 1306 CE2 PHE A 86 -0.859 0.735 3.245 1.00 41.15 C ATOM 1307 CZ PHE A 86 0.189 0.139 3.917 1.00 34.44 C ATOM 0 H PHE A 86 -4.176 3.706 5.181 1.00 12.03 H new ATOM 0 HA PHE A 86 -2.054 3.290 7.201 1.00 41.45 H new ATOM 0 HB2 PHE A 86 -1.754 4.469 4.404 1.00 44.20 H new ATOM 0 HB3 PHE A 86 -0.521 4.526 5.648 1.00 44.20 H new ATOM 0 HD1 PHE A 86 0.680 2.439 6.326 1.00 31.33 H new ATOM 0 HD2 PHE A 86 -2.174 2.408 3.142 1.00 13.11 H new ATOM 0 HE1 PHE A 86 1.551 0.275 5.555 1.00 73.12 H new ATOM 0 HE2 PHE A 86 -1.290 0.251 2.381 1.00 41.15 H new ATOM 0 HZ PHE A 86 0.581 -0.807 3.573 1.00 34.44 H new ATOM 1317 N THR A 87 -2.095 5.833 7.755 1.00 42.22 N ATOM 1318 CA THR A 87 -2.223 7.253 8.149 1.00 21.41 C ATOM 1319 C THR A 87 -0.824 7.890 8.163 1.00 72.44 C ATOM 1320 O THR A 87 -0.054 7.680 9.100 1.00 11.14 O ATOM 1321 CB THR A 87 -2.906 7.400 9.557 1.00 44.25 C ATOM 1322 OG1 THR A 87 -4.187 6.736 9.556 1.00 0.34 O ATOM 1323 CG2 THR A 87 -3.096 8.877 9.967 1.00 51.33 C ATOM 0 H THR A 87 -1.394 5.318 8.288 1.00 42.22 H new ATOM 0 HA THR A 87 -2.859 7.765 7.427 1.00 21.41 H new ATOM 0 HB THR A 87 -2.241 6.936 10.285 1.00 44.25 H new ATOM 0 HG1 THR A 87 -4.876 7.355 9.236 1.00 0.34 H new ATOM 0 HG21 THR A 87 -3.572 8.924 10.947 1.00 51.33 H new ATOM 0 HG22 THR A 87 -2.125 9.370 10.011 1.00 51.33 H new ATOM 0 HG23 THR A 87 -3.726 9.380 9.233 1.00 51.33 H new ATOM 1331 N VAL A 88 -0.483 8.644 7.105 1.00 55.42 N ATOM 1332 CA VAL A 88 0.839 9.291 6.982 1.00 51.52 C ATOM 1333 C VAL A 88 0.749 10.765 7.442 1.00 62.23 C ATOM 1334 O VAL A 88 0.264 11.635 6.710 1.00 22.43 O ATOM 1335 CB VAL A 88 1.406 9.197 5.512 1.00 11.50 C ATOM 1336 CG1 VAL A 88 2.817 9.836 5.392 1.00 22.20 C ATOM 1337 CG2 VAL A 88 1.416 7.726 5.016 1.00 63.22 C ATOM 0 H VAL A 88 -1.106 8.823 6.318 1.00 55.42 H new ATOM 0 HA VAL A 88 1.536 8.757 7.628 1.00 51.52 H new ATOM 0 HB VAL A 88 0.738 9.770 4.869 1.00 11.50 H new ATOM 0 HG11 VAL A 88 3.169 9.749 4.364 1.00 22.20 H new ATOM 0 HG12 VAL A 88 2.765 10.889 5.670 1.00 22.20 H new ATOM 0 HG13 VAL A 88 3.508 9.319 6.057 1.00 22.20 H new ATOM 0 HG21 VAL A 88 1.811 7.687 4.001 1.00 63.22 H new ATOM 0 HG22 VAL A 88 2.044 7.125 5.673 1.00 63.22 H new ATOM 0 HG23 VAL A 88 0.400 7.332 5.025 1.00 63.22 H new ATOM 1347 N THR A 89 1.200 11.020 8.678 1.00 2.00 N ATOM 1348 CA THR A 89 1.307 12.382 9.247 1.00 70.45 C ATOM 1349 C THR A 89 2.764 12.865 9.111 1.00 42.04 C ATOM 1350 O THR A 89 3.689 12.165 9.522 1.00 75.00 O ATOM 1351 CB THR A 89 0.868 12.411 10.754 1.00 63.20 C ATOM 1352 OG1 THR A 89 -0.467 11.889 10.880 1.00 54.35 O ATOM 1353 CG2 THR A 89 0.914 13.829 11.363 1.00 22.04 C ATOM 0 H THR A 89 1.504 10.287 9.319 1.00 2.00 H new ATOM 0 HA THR A 89 0.638 13.045 8.698 1.00 70.45 H new ATOM 0 HB THR A 89 1.579 11.794 11.303 1.00 63.20 H new ATOM 0 HG1 THR A 89 -0.738 11.907 11.822 1.00 54.35 H new ATOM 0 HG21 THR A 89 0.600 13.787 12.406 1.00 22.04 H new ATOM 0 HG22 THR A 89 1.931 14.217 11.305 1.00 22.04 H new ATOM 0 HG23 THR A 89 0.243 14.485 10.808 1.00 22.04 H new ATOM 1361 N ILE A 90 2.967 14.064 8.539 1.00 51.10 N ATOM 1362 CA ILE A 90 4.322 14.588 8.240 1.00 51.32 C ATOM 1363 C ILE A 90 4.970 15.258 9.472 1.00 62.44 C ATOM 1364 O ILE A 90 4.567 15.042 10.613 1.00 4.55 O ATOM 1365 CB ILE A 90 4.289 15.612 7.048 1.00 64.45 C ATOM 1366 CG1 ILE A 90 3.456 15.049 5.846 1.00 3.22 C ATOM 1367 CG2 ILE A 90 5.728 15.999 6.600 1.00 75.24 C ATOM 1368 CD1 ILE A 90 3.971 13.747 5.253 1.00 23.45 C ATOM 0 H ILE A 90 2.211 14.694 8.272 1.00 51.10 H new ATOM 0 HA ILE A 90 4.928 13.727 7.957 1.00 51.32 H new ATOM 0 HB ILE A 90 3.796 16.518 7.401 1.00 64.45 H new ATOM 0 HG12 ILE A 90 2.428 14.897 6.177 1.00 3.22 H new ATOM 0 HG13 ILE A 90 3.430 15.802 5.059 1.00 3.22 H new ATOM 0 HG21 ILE A 90 5.674 16.708 5.774 1.00 75.24 H new ATOM 0 HG22 ILE A 90 6.259 16.455 7.436 1.00 75.24 H new ATOM 0 HG23 ILE A 90 6.261 15.105 6.276 1.00 75.24 H new ATOM 0 HD11 ILE A 90 3.326 13.442 4.429 1.00 23.45 H new ATOM 0 HD12 ILE A 90 4.987 13.892 4.885 1.00 23.45 H new ATOM 0 HD13 ILE A 90 3.970 12.972 6.020 1.00 23.45 H new