USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 580 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 18 HIS : no HD1:sc= 0 X(o=1,f=0.55) USER MOD Set 1.2: A 22 THR OG1 : rot -36:sc= 1.04 USER MOD Set 1.3: A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 1 MET N :NH3+ 141:sc=-0.00829 (180deg=0) USER MOD Set 2.2: A 5 THR OG1 : rot -67:sc= 1.04 USER MOD Set 2.3: A 8 GLN : amide:sc= 1.13 K(o=2.2,f=0.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0.0315 X(o=0.031,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0.335 K(o=0.33,f=-3.4!) USER MOD Single : A 27 THR OG1 : rot -170:sc= 1.29 USER MOD Single : A 33 GLN : amide:sc= 0.579 K(o=0.58,f=-0.082) USER MOD Single : A 39 SER OG : rot 11:sc= 1.04 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.0377 X(o=-0.038,f=-0.52) USER MOD Single : A 48 LYS NZ :NH3+ 151:sc= 0.187 (180deg=0.0175) USER MOD Single : A 53 LYS NZ :NH3+ -159:sc= -0.0269 (180deg=-0.365) USER MOD Single : A 60 SER OG : rot 44:sc= 0.603 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0.6 K(o=0.6,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.311 -6.247 -8.294 1.00 0.00 N ATOM 2 CA MET A 1 -4.505 -6.788 -9.421 1.00 0.00 C ATOM 3 C MET A 1 -5.211 -6.537 -10.785 1.00 0.00 C ATOM 4 O MET A 1 -6.072 -7.306 -11.219 1.00 0.00 O ATOM 5 CB MET A 1 -4.068 -8.249 -9.161 1.00 0.00 C ATOM 6 CG MET A 1 -5.155 -9.305 -8.933 1.00 0.00 C ATOM 7 SD MET A 1 -4.364 -10.882 -8.573 1.00 0.00 S ATOM 8 CE MET A 1 -5.832 -11.877 -8.272 1.00 0.00 C ATOM 0 H1 MET A 1 -5.261 -6.900 -7.486 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.935 -5.319 -8.012 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.301 -6.143 -8.594 1.00 0.00 H new ATOM 0 HA MET A 1 -3.567 -6.236 -9.486 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.465 -8.571 -10.010 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.416 -8.250 -8.288 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.801 -9.009 -8.106 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.787 -9.393 -9.816 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.536 -12.898 -8.031 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.393 -11.455 -7.438 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.458 -11.882 -9.165 1.00 0.00 H new ATOM 19 N LYS A 2 -4.864 -5.416 -11.445 1.00 0.00 N ATOM 20 CA LYS A 2 -5.565 -4.911 -12.670 1.00 0.00 C ATOM 21 C LYS A 2 -7.001 -4.365 -12.402 1.00 0.00 C ATOM 22 O LYS A 2 -7.194 -3.151 -12.302 1.00 0.00 O ATOM 23 CB LYS A 2 -5.365 -5.844 -13.888 1.00 0.00 C ATOM 24 CG LYS A 2 -5.687 -5.179 -15.242 1.00 0.00 C ATOM 25 CD LYS A 2 -5.430 -6.144 -16.412 1.00 0.00 C ATOM 26 CE LYS A 2 -5.650 -5.521 -17.798 1.00 0.00 C ATOM 27 NZ LYS A 2 -7.080 -5.294 -18.091 1.00 0.00 N ATOM 0 H LYS A 2 -4.087 -4.823 -11.153 1.00 0.00 H new ATOM 0 HA LYS A 2 -5.062 -3.996 -12.983 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -4.332 -6.192 -13.901 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -5.996 -6.724 -13.767 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -6.729 -4.859 -15.254 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -5.077 -4.284 -15.365 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -4.405 -6.510 -16.349 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -6.085 -7.009 -16.306 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -5.115 -4.573 -17.857 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -5.225 -6.175 -18.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -7.178 -4.873 -19.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -7.589 -6.201 -18.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -7.482 -4.649 -17.381 1.00 0.00 H new ATOM 40 N ALA A 3 -7.972 -5.267 -12.241 1.00 0.00 N ATOM 41 CA ALA A 3 -9.303 -4.920 -11.685 1.00 0.00 C ATOM 42 C ALA A 3 -9.308 -5.033 -10.127 1.00 0.00 C ATOM 43 O ALA A 3 -9.544 -6.095 -9.544 1.00 0.00 O ATOM 44 CB ALA A 3 -10.319 -5.845 -12.366 1.00 0.00 C ATOM 0 H ALA A 3 -7.870 -6.252 -12.486 1.00 0.00 H new ATOM 0 HA ALA A 3 -9.567 -3.882 -11.889 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -11.318 -5.628 -11.989 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -10.294 -5.682 -13.443 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -10.067 -6.883 -12.150 1.00 0.00 H new ATOM 50 N LEU A 4 -8.993 -3.913 -9.474 1.00 0.00 N ATOM 51 CA LEU A 4 -8.712 -3.868 -8.018 1.00 0.00 C ATOM 52 C LEU A 4 -9.960 -3.657 -7.117 1.00 0.00 C ATOM 53 O LEU A 4 -10.908 -2.941 -7.447 1.00 0.00 O ATOM 54 CB LEU A 4 -7.523 -2.912 -7.778 1.00 0.00 C ATOM 55 CG LEU A 4 -7.597 -1.387 -7.931 1.00 0.00 C ATOM 56 CD1 LEU A 4 -8.204 -0.870 -9.232 1.00 0.00 C ATOM 57 CD2 LEU A 4 -8.262 -0.699 -6.737 1.00 0.00 C ATOM 0 H LEU A 4 -8.923 -3.004 -9.931 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.407 -4.859 -7.681 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.185 -3.098 -6.759 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -6.727 -3.245 -8.444 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.543 -1.111 -7.968 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -8.203 0.220 -9.226 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.615 -1.229 -10.076 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.228 -1.232 -9.325 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.285 0.378 -6.904 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.281 -1.070 -6.624 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -7.695 -0.914 -5.831 1.00 0.00 H new ATOM 69 N THR A 5 -9.944 -4.319 -5.956 1.00 0.00 N ATOM 70 CA THR A 5 -11.095 -4.347 -5.012 1.00 0.00 C ATOM 71 C THR A 5 -11.198 -3.081 -4.086 1.00 0.00 C ATOM 72 O THR A 5 -10.221 -2.369 -3.843 1.00 0.00 O ATOM 73 CB THR A 5 -11.077 -5.652 -4.133 1.00 0.00 C ATOM 74 OG1 THR A 5 -9.936 -5.731 -3.282 1.00 0.00 O ATOM 75 CG2 THR A 5 -11.137 -6.957 -4.921 1.00 0.00 C ATOM 0 H THR A 5 -9.138 -4.855 -5.633 1.00 0.00 H new ATOM 0 HA THR A 5 -11.982 -4.341 -5.646 1.00 0.00 H new ATOM 0 HB THR A 5 -11.992 -5.553 -3.549 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.129 -5.843 -3.826 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.120 -7.800 -4.230 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.056 -6.986 -5.507 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.278 -7.018 -5.590 1.00 0.00 H new ATOM 83 N ALA A 6 -12.392 -2.831 -3.523 1.00 0.00 N ATOM 84 CA ALA A 6 -12.624 -1.683 -2.603 1.00 0.00 C ATOM 85 C ALA A 6 -11.754 -1.586 -1.301 1.00 0.00 C ATOM 86 O ALA A 6 -11.350 -0.479 -0.939 1.00 0.00 O ATOM 87 CB ALA A 6 -14.126 -1.683 -2.280 1.00 0.00 C ATOM 0 H ALA A 6 -13.220 -3.405 -3.684 1.00 0.00 H new ATOM 0 HA ALA A 6 -12.288 -0.792 -3.134 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -14.353 -0.857 -1.605 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.696 -1.566 -3.201 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.396 -2.626 -1.804 1.00 0.00 H new ATOM 93 N ARG A 7 -11.443 -2.707 -0.623 1.00 0.00 N ATOM 94 CA ARG A 7 -10.488 -2.697 0.526 1.00 0.00 C ATOM 95 C ARG A 7 -8.985 -2.484 0.144 1.00 0.00 C ATOM 96 O ARG A 7 -8.321 -1.720 0.844 1.00 0.00 O ATOM 97 CB ARG A 7 -10.743 -3.944 1.399 1.00 0.00 C ATOM 98 CG ARG A 7 -10.116 -3.925 2.813 1.00 0.00 C ATOM 99 CD ARG A 7 -10.729 -2.885 3.762 1.00 0.00 C ATOM 100 NE ARG A 7 -10.129 -3.042 5.109 1.00 0.00 N ATOM 101 CZ ARG A 7 -10.186 -2.144 6.088 1.00 0.00 C ATOM 102 NH1 ARG A 7 -10.809 -1.006 6.014 1.00 0.00 N ATOM 103 NH2 ARG A 7 -9.590 -2.420 7.194 1.00 0.00 N ATOM 0 H ARG A 7 -11.829 -3.626 -0.840 1.00 0.00 H new ATOM 0 HA ARG A 7 -10.693 -1.803 1.115 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -11.820 -4.075 1.503 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -10.365 -4.818 0.868 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -10.223 -4.914 3.259 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -9.047 -3.731 2.721 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -10.547 -1.879 3.385 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -11.810 -3.015 3.815 1.00 0.00 H new ATOM 0 HE ARG A 7 -9.631 -3.911 5.300 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -11.301 -0.749 5.158 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -10.806 -0.370 6.811 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -9.094 -3.305 7.299 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -9.613 -1.754 7.966 1.00 0.00 H new ATOM 116 N GLN A 8 -8.449 -3.066 -0.949 1.00 0.00 N ATOM 117 CA GLN A 8 -7.130 -2.625 -1.499 1.00 0.00 C ATOM 118 C GLN A 8 -7.060 -1.166 -2.081 1.00 0.00 C ATOM 119 O GLN A 8 -6.000 -0.549 -1.992 1.00 0.00 O ATOM 120 CB GLN A 8 -6.538 -3.691 -2.448 1.00 0.00 C ATOM 121 CG GLN A 8 -7.214 -3.823 -3.814 1.00 0.00 C ATOM 122 CD GLN A 8 -6.818 -5.033 -4.634 1.00 0.00 C ATOM 123 OE1 GLN A 8 -7.602 -5.957 -4.822 1.00 0.00 O ATOM 124 NE2 GLN A 8 -5.647 -5.044 -5.210 1.00 0.00 N ATOM 0 H GLN A 8 -8.890 -3.827 -1.466 1.00 0.00 H new ATOM 0 HA GLN A 8 -6.485 -2.544 -0.624 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.484 -3.462 -2.607 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -6.582 -4.659 -1.948 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -8.293 -3.848 -3.663 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -6.994 -2.927 -4.395 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.995 -4.276 -5.054 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.384 -5.821 -5.816 1.00 0.00 H new ATOM 133 N GLN A 9 -8.158 -0.596 -2.607 1.00 0.00 N ATOM 134 CA GLN A 9 -8.278 0.875 -2.827 1.00 0.00 C ATOM 135 C GLN A 9 -8.214 1.763 -1.534 1.00 0.00 C ATOM 136 O GLN A 9 -7.550 2.800 -1.568 1.00 0.00 O ATOM 137 CB GLN A 9 -9.552 1.125 -3.664 1.00 0.00 C ATOM 138 CG GLN A 9 -9.794 2.572 -4.146 1.00 0.00 C ATOM 139 CD GLN A 9 -8.722 3.194 -5.025 1.00 0.00 C ATOM 140 OE1 GLN A 9 -8.689 3.024 -6.236 1.00 0.00 O ATOM 141 NE2 GLN A 9 -7.812 3.945 -4.461 1.00 0.00 N ATOM 0 H GLN A 9 -8.983 -1.124 -2.892 1.00 0.00 H new ATOM 0 HA GLN A 9 -7.390 1.201 -3.369 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.516 0.477 -4.539 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.414 0.815 -3.073 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -10.736 2.594 -4.694 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -9.921 3.205 -3.268 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.828 4.095 -3.452 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.086 4.381 -5.030 1.00 0.00 H new ATOM 150 N GLU A 10 -8.836 1.367 -0.414 1.00 0.00 N ATOM 151 CA GLU A 10 -8.550 1.968 0.923 1.00 0.00 C ATOM 152 C GLU A 10 -7.060 1.850 1.414 1.00 0.00 C ATOM 153 O GLU A 10 -6.494 2.855 1.850 1.00 0.00 O ATOM 154 CB GLU A 10 -9.523 1.358 1.959 1.00 0.00 C ATOM 155 CG GLU A 10 -10.989 1.809 1.808 1.00 0.00 C ATOM 156 CD GLU A 10 -11.267 3.225 2.276 1.00 0.00 C ATOM 157 OE1 GLU A 10 -11.281 4.200 1.534 1.00 0.00 O ATOM 158 OE2 GLU A 10 -11.488 3.294 3.616 1.00 0.00 O ATOM 0 H GLU A 10 -9.544 0.633 -0.394 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.706 3.042 0.816 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.481 0.272 1.881 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.178 1.619 2.959 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.275 1.724 0.760 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.625 1.124 2.368 1.00 0.00 H new ATOM 166 N VAL A 11 -6.424 0.671 1.273 1.00 0.00 N ATOM 167 CA VAL A 11 -4.932 0.519 1.375 1.00 0.00 C ATOM 168 C VAL A 11 -4.134 1.509 0.446 1.00 0.00 C ATOM 169 O VAL A 11 -3.226 2.181 0.935 1.00 0.00 O ATOM 170 CB VAL A 11 -4.518 -0.976 1.139 1.00 0.00 C ATOM 171 CG1 VAL A 11 -2.997 -1.236 1.207 1.00 0.00 C ATOM 172 CG2 VAL A 11 -5.151 -1.961 2.146 1.00 0.00 C ATOM 0 H VAL A 11 -6.912 -0.205 1.086 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.653 0.799 2.391 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.889 -1.151 0.129 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.801 -2.294 1.033 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.492 -0.643 0.445 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.624 -0.955 2.192 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.820 -2.975 1.921 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.844 -1.695 3.157 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.237 -1.910 2.072 1.00 0.00 H new ATOM 182 N PHE A 12 -4.492 1.622 -0.842 1.00 0.00 N ATOM 183 CA PHE A 12 -3.876 2.601 -1.768 1.00 0.00 C ATOM 184 C PHE A 12 -4.085 4.116 -1.461 1.00 0.00 C ATOM 185 O PHE A 12 -3.120 4.875 -1.561 1.00 0.00 O ATOM 186 CB PHE A 12 -4.272 2.228 -3.218 1.00 0.00 C ATOM 187 CG PHE A 12 -3.345 2.854 -4.279 1.00 0.00 C ATOM 188 CD1 PHE A 12 -1.944 2.691 -4.222 1.00 0.00 C ATOM 189 CD2 PHE A 12 -3.881 3.674 -5.279 1.00 0.00 C ATOM 190 CE1 PHE A 12 -1.111 3.380 -5.095 1.00 0.00 C ATOM 191 CE2 PHE A 12 -3.046 4.336 -6.178 1.00 0.00 C ATOM 192 CZ PHE A 12 -1.663 4.197 -6.074 1.00 0.00 C ATOM 0 H PHE A 12 -5.212 1.044 -1.275 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.801 2.508 -1.615 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.256 1.143 -3.325 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.296 2.551 -3.403 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.514 2.022 -3.491 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.952 3.795 -5.355 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.039 3.281 -5.013 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.470 4.956 -6.954 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.017 4.727 -6.758 1.00 0.00 H new ATOM 202 N ASP A 13 -5.282 4.545 -1.039 1.00 0.00 N ATOM 203 CA ASP A 13 -5.486 5.906 -0.471 1.00 0.00 C ATOM 204 C ASP A 13 -4.573 6.255 0.767 1.00 0.00 C ATOM 205 O ASP A 13 -4.005 7.349 0.804 1.00 0.00 O ATOM 206 CB ASP A 13 -6.993 6.049 -0.150 1.00 0.00 C ATOM 207 CG ASP A 13 -7.452 7.494 -0.086 1.00 0.00 C ATOM 208 OD1 ASP A 13 -7.928 8.098 -1.039 1.00 0.00 O ATOM 209 OD2 ASP A 13 -7.254 8.048 1.140 1.00 0.00 O ATOM 0 H ASP A 13 -6.129 3.978 -1.076 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.172 6.638 -1.215 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.572 5.523 -0.909 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.203 5.564 0.803 1.00 0.00 H new ATOM 215 N LEU A 14 -4.391 5.330 1.723 1.00 0.00 N ATOM 216 CA LEU A 14 -3.331 5.451 2.763 1.00 0.00 C ATOM 217 C LEU A 14 -1.845 5.373 2.259 1.00 0.00 C ATOM 218 O LEU A 14 -1.013 6.101 2.799 1.00 0.00 O ATOM 219 CB LEU A 14 -3.672 4.447 3.887 1.00 0.00 C ATOM 220 CG LEU A 14 -2.877 4.606 5.202 1.00 0.00 C ATOM 221 CD1 LEU A 14 -3.055 5.983 5.849 1.00 0.00 C ATOM 222 CD2 LEU A 14 -3.343 3.556 6.221 1.00 0.00 C ATOM 0 H LEU A 14 -4.959 4.487 1.806 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.349 6.472 3.144 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.734 4.535 4.115 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.510 3.438 3.507 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.827 4.480 4.938 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.472 6.031 6.768 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.712 6.755 5.161 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.108 6.144 6.079 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.779 3.672 7.147 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.405 3.692 6.423 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.175 2.558 5.817 1.00 0.00 H new ATOM 234 N ILE A 15 -1.512 4.585 1.223 1.00 0.00 N ATOM 235 CA ILE A 15 -0.195 4.685 0.499 1.00 0.00 C ATOM 236 C ILE A 15 0.076 6.102 -0.117 1.00 0.00 C ATOM 237 O ILE A 15 1.109 6.696 0.195 1.00 0.00 O ATOM 238 CB ILE A 15 -0.049 3.508 -0.536 1.00 0.00 C ATOM 239 CG1 ILE A 15 0.097 2.134 0.177 1.00 0.00 C ATOM 240 CG2 ILE A 15 1.137 3.663 -1.517 1.00 0.00 C ATOM 241 CD1 ILE A 15 -0.197 0.921 -0.701 1.00 0.00 C ATOM 0 H ILE A 15 -2.128 3.862 0.852 1.00 0.00 H new ATOM 0 HA ILE A 15 0.597 4.569 1.239 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.972 3.551 -1.115 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.113 2.047 0.563 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.573 2.114 1.036 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.163 2.809 -2.194 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.015 4.580 -2.094 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.070 3.710 -0.955 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.069 0.010 -0.117 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.222 0.977 -1.067 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.490 0.909 -1.547 1.00 0.00 H new ATOM 253 N ARG A 16 -0.826 6.635 -0.952 1.00 0.00 N ATOM 254 CA ARG A 16 -0.717 8.022 -1.485 1.00 0.00 C ATOM 255 C ARG A 16 -0.679 9.163 -0.396 1.00 0.00 C ATOM 256 O ARG A 16 0.142 10.074 -0.504 1.00 0.00 O ATOM 257 CB ARG A 16 -1.865 8.286 -2.493 1.00 0.00 C ATOM 258 CG ARG A 16 -1.856 7.395 -3.754 1.00 0.00 C ATOM 259 CD ARG A 16 -2.942 7.770 -4.775 1.00 0.00 C ATOM 260 NE ARG A 16 -4.294 7.439 -4.268 1.00 0.00 N ATOM 261 CZ ARG A 16 -5.404 7.436 -4.984 1.00 0.00 C ATOM 262 NH1 ARG A 16 -5.467 7.703 -6.256 1.00 0.00 N ATOM 263 NH2 ARG A 16 -6.502 7.158 -4.368 1.00 0.00 N ATOM 0 H ARG A 16 -1.649 6.131 -1.282 1.00 0.00 H new ATOM 0 HA ARG A 16 0.256 8.068 -1.975 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.816 8.149 -1.979 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.819 9.329 -2.805 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.879 7.465 -4.232 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.992 6.355 -3.456 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.885 8.836 -4.995 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.763 7.241 -5.711 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.375 7.192 -3.282 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.618 7.936 -6.771 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.366 7.679 -6.738 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.488 6.952 -3.369 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.384 7.144 -4.880 1.00 0.00 H new ATOM 276 N ASP A 17 -1.514 9.067 0.653 1.00 0.00 N ATOM 277 CA ASP A 17 -1.400 9.920 1.863 1.00 0.00 C ATOM 278 C ASP A 17 -0.047 9.795 2.653 1.00 0.00 C ATOM 279 O ASP A 17 0.580 10.825 2.888 1.00 0.00 O ATOM 280 CB ASP A 17 -2.613 9.639 2.783 1.00 0.00 C ATOM 281 CG ASP A 17 -3.860 10.429 2.428 1.00 0.00 C ATOM 282 OD1 ASP A 17 -4.094 11.539 2.894 1.00 0.00 O ATOM 283 OD2 ASP A 17 -4.678 9.770 1.558 1.00 0.00 O ATOM 0 H ASP A 17 -2.286 8.401 0.693 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.401 10.953 1.514 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.847 8.575 2.742 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.334 9.865 3.812 1.00 0.00 H new ATOM 289 N HIS A 18 0.407 8.598 3.047 1.00 0.00 N ATOM 290 CA HIS A 18 1.702 8.426 3.774 1.00 0.00 C ATOM 291 C HIS A 18 3.012 8.719 2.957 1.00 0.00 C ATOM 292 O HIS A 18 3.945 9.285 3.532 1.00 0.00 O ATOM 293 CB HIS A 18 1.674 7.023 4.416 1.00 0.00 C ATOM 294 CG HIS A 18 2.761 6.786 5.477 1.00 0.00 C ATOM 295 ND1 HIS A 18 3.820 5.924 5.260 1.00 0.00 N ATOM 296 CD2 HIS A 18 2.911 7.441 6.722 1.00 0.00 C ATOM 297 CE1 HIS A 18 4.547 6.155 6.393 1.00 0.00 C ATOM 298 NE2 HIS A 18 4.069 7.018 7.340 1.00 0.00 N ATOM 0 H HIS A 18 -0.093 7.725 2.881 1.00 0.00 H new ATOM 0 HA HIS A 18 1.767 9.207 4.532 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.697 6.866 4.873 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.782 6.275 3.630 1.00 0.00 H new ATOM 0 HD2 HIS A 18 2.221 8.165 7.128 1.00 0.00 H new ATOM 0 HE1 HIS A 18 5.495 5.659 6.540 1.00 0.00 H new ATOM 0 HE2 HIS A 18 4.459 7.276 8.247 1.00 0.00 H new ATOM 306 N ILE A 19 3.073 8.411 1.651 1.00 0.00 N ATOM 307 CA ILE A 19 4.159 8.917 0.743 1.00 0.00 C ATOM 308 C ILE A 19 4.150 10.490 0.594 1.00 0.00 C ATOM 309 O ILE A 19 5.221 11.092 0.669 1.00 0.00 O ATOM 310 CB ILE A 19 4.124 8.152 -0.639 1.00 0.00 C ATOM 311 CG1 ILE A 19 4.480 6.643 -0.443 1.00 0.00 C ATOM 312 CG2 ILE A 19 5.110 8.745 -1.680 1.00 0.00 C ATOM 313 CD1 ILE A 19 4.179 5.751 -1.646 1.00 0.00 C ATOM 0 H ILE A 19 2.390 7.815 1.184 1.00 0.00 H new ATOM 0 HA ILE A 19 5.118 8.694 1.210 1.00 0.00 H new ATOM 0 HB ILE A 19 3.108 8.266 -1.017 1.00 0.00 H new ATOM 0 HG12 ILE A 19 5.541 6.563 -0.206 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.931 6.264 0.419 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.042 8.179 -2.609 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.855 9.787 -1.870 1.00 0.00 H new ATOM 0 HG23 ILE A 19 6.127 8.686 -1.293 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.459 4.723 -1.416 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.114 5.795 -1.874 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.749 6.098 -2.508 1.00 0.00 H new ATOM 325 N SER A 20 2.992 11.150 0.412 1.00 0.00 N ATOM 326 CA SER A 20 2.909 12.639 0.476 1.00 0.00 C ATOM 327 C SER A 20 3.150 13.321 1.875 1.00 0.00 C ATOM 328 O SER A 20 3.656 14.443 1.904 1.00 0.00 O ATOM 329 CB SER A 20 1.538 13.063 -0.101 1.00 0.00 C ATOM 330 OG SER A 20 1.469 14.479 -0.280 1.00 0.00 O ATOM 0 H SER A 20 2.102 10.690 0.220 1.00 0.00 H new ATOM 0 HA SER A 20 3.753 13.000 -0.112 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.372 12.564 -1.056 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.742 12.739 0.570 1.00 0.00 H new ATOM 0 HG SER A 20 0.593 14.720 -0.647 1.00 0.00 H new ATOM 336 N GLN A 21 2.769 12.686 2.989 1.00 0.00 N ATOM 337 CA GLN A 21 3.096 13.161 4.362 1.00 0.00 C ATOM 338 C GLN A 21 4.585 12.911 4.832 1.00 0.00 C ATOM 339 O GLN A 21 5.137 13.762 5.530 1.00 0.00 O ATOM 340 CB GLN A 21 2.136 12.459 5.373 1.00 0.00 C ATOM 341 CG GLN A 21 0.663 12.920 5.317 1.00 0.00 C ATOM 342 CD GLN A 21 -0.308 12.025 6.084 1.00 0.00 C ATOM 343 OE1 GLN A 21 0.010 11.327 7.043 1.00 0.00 O ATOM 344 NE2 GLN A 21 -1.560 12.023 5.705 1.00 0.00 N ATOM 0 H GLN A 21 2.223 11.824 2.977 1.00 0.00 H new ATOM 0 HA GLN A 21 2.971 14.243 4.335 1.00 0.00 H new ATOM 0 HB2 GLN A 21 2.170 11.384 5.194 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.513 12.626 6.382 1.00 0.00 H new ATOM 0 HG2 GLN A 21 0.597 13.932 5.715 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.349 12.966 4.274 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -1.854 12.593 4.912 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -2.243 11.452 6.203 1.00 0.00 H new ATOM 353 N THR A 22 5.170 11.749 4.511 1.00 0.00 N ATOM 354 CA THR A 22 6.516 11.336 4.997 1.00 0.00 C ATOM 355 C THR A 22 7.529 10.973 3.849 1.00 0.00 C ATOM 356 O THR A 22 8.671 11.432 3.894 1.00 0.00 O ATOM 357 CB THR A 22 6.452 10.157 6.031 1.00 0.00 C ATOM 358 OG1 THR A 22 5.957 8.948 5.460 1.00 0.00 O ATOM 359 CG2 THR A 22 5.619 10.442 7.276 1.00 0.00 C ATOM 0 H THR A 22 4.729 11.058 3.904 1.00 0.00 H new ATOM 0 HA THR A 22 6.896 12.226 5.499 1.00 0.00 H new ATOM 0 HB THR A 22 7.495 10.047 6.328 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.262 9.158 4.802 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.634 9.571 7.931 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.036 11.300 7.804 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.591 10.659 6.984 1.00 0.00 H new ATOM 367 N GLY A 23 7.133 10.129 2.884 1.00 0.00 N ATOM 368 CA GLY A 23 8.033 9.644 1.808 1.00 0.00 C ATOM 369 C GLY A 23 7.932 8.146 1.445 1.00 0.00 C ATOM 370 O GLY A 23 7.963 7.798 0.265 1.00 0.00 O ATOM 0 H GLY A 23 6.184 9.760 2.821 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.834 10.227 0.909 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.061 9.855 2.103 1.00 0.00 H new ATOM 374 N MET A 24 7.875 7.270 2.451 1.00 0.00 N ATOM 375 CA MET A 24 8.025 5.805 2.271 1.00 0.00 C ATOM 376 C MET A 24 6.703 4.997 2.024 1.00 0.00 C ATOM 377 O MET A 24 5.701 5.301 2.676 1.00 0.00 O ATOM 378 CB MET A 24 8.836 5.246 3.476 1.00 0.00 C ATOM 379 CG MET A 24 8.188 5.346 4.865 1.00 0.00 C ATOM 380 SD MET A 24 9.363 4.775 6.105 1.00 0.00 S ATOM 381 CE MET A 24 8.476 5.268 7.592 1.00 0.00 C ATOM 0 H MET A 24 7.723 7.547 3.421 1.00 0.00 H new ATOM 0 HA MET A 24 8.562 5.661 1.333 1.00 0.00 H new ATOM 0 HB2 MET A 24 9.053 4.196 3.279 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.792 5.768 3.511 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.895 6.376 5.070 1.00 0.00 H new ATOM 0 HG3 MET A 24 7.280 4.743 4.901 1.00 0.00 H new ATOM 0 HE1 MET A 24 9.058 4.992 8.471 1.00 0.00 H new ATOM 0 HE2 MET A 24 8.322 6.347 7.583 1.00 0.00 H new ATOM 0 HE3 MET A 24 7.510 4.764 7.623 1.00 0.00 H new ATOM 391 N PRO A 25 6.647 3.943 1.155 1.00 0.00 N ATOM 392 CA PRO A 25 5.445 3.056 1.024 1.00 0.00 C ATOM 393 C PRO A 25 5.028 2.244 2.293 1.00 0.00 C ATOM 394 O PRO A 25 5.807 1.384 2.718 1.00 0.00 O ATOM 395 CB PRO A 25 5.844 2.106 -0.146 1.00 0.00 C ATOM 396 CG PRO A 25 6.906 2.874 -0.950 1.00 0.00 C ATOM 397 CD PRO A 25 7.663 3.673 0.120 1.00 0.00 C ATOM 0 HA PRO A 25 4.554 3.661 0.856 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.242 1.164 0.231 1.00 0.00 H new ATOM 0 HB3 PRO A 25 4.981 1.863 -0.766 1.00 0.00 H new ATOM 0 HG2 PRO A 25 7.569 2.196 -1.488 1.00 0.00 H new ATOM 0 HG3 PRO A 25 6.450 3.530 -1.692 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.501 3.105 0.523 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.072 4.597 -0.288 1.00 0.00 H new ATOM 405 N PRO A 26 3.831 2.417 2.915 1.00 0.00 N ATOM 406 CA PRO A 26 3.476 1.680 4.172 1.00 0.00 C ATOM 407 C PRO A 26 3.098 0.187 3.971 1.00 0.00 C ATOM 408 O PRO A 26 2.115 -0.149 3.306 1.00 0.00 O ATOM 409 CB PRO A 26 2.310 2.534 4.731 1.00 0.00 C ATOM 410 CG PRO A 26 1.674 3.192 3.491 1.00 0.00 C ATOM 411 CD PRO A 26 2.884 3.506 2.599 1.00 0.00 C ATOM 0 HA PRO A 26 4.324 1.589 4.850 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.588 1.916 5.265 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.671 3.284 5.435 1.00 0.00 H new ATOM 0 HG2 PRO A 26 0.972 2.522 2.995 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.122 4.095 3.753 1.00 0.00 H new ATOM 0 HD2 PRO A 26 2.615 3.511 1.543 1.00 0.00 H new ATOM 0 HD3 PRO A 26 3.307 4.485 2.825 1.00 0.00 H new ATOM 419 N THR A 27 3.875 -0.701 4.599 1.00 0.00 N ATOM 420 CA THR A 27 3.690 -2.177 4.481 1.00 0.00 C ATOM 421 C THR A 27 3.303 -2.784 5.864 1.00 0.00 C ATOM 422 O THR A 27 4.147 -2.978 6.743 1.00 0.00 O ATOM 423 CB THR A 27 4.945 -2.884 3.874 1.00 0.00 C ATOM 424 OG1 THR A 27 6.140 -2.605 4.597 1.00 0.00 O ATOM 425 CG2 THR A 27 5.201 -2.489 2.423 1.00 0.00 C ATOM 0 H THR A 27 4.651 -0.433 5.204 1.00 0.00 H new ATOM 0 HA THR A 27 2.871 -2.355 3.784 1.00 0.00 H new ATOM 0 HB THR A 27 4.706 -3.946 3.939 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.912 -2.941 4.095 1.00 0.00 H new ATOM 0 HG21 THR A 27 6.084 -3.010 2.054 1.00 0.00 H new ATOM 0 HG22 THR A 27 4.339 -2.761 1.814 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.363 -1.413 2.362 1.00 0.00 H new ATOM 433 N ARG A 28 1.995 -3.013 6.064 1.00 0.00 N ATOM 434 CA ARG A 28 1.385 -3.479 7.338 1.00 0.00 C ATOM 435 C ARG A 28 1.464 -2.520 8.566 1.00 0.00 C ATOM 436 O ARG A 28 0.437 -2.276 9.199 1.00 0.00 O ATOM 437 CB ARG A 28 1.699 -4.974 7.570 1.00 0.00 C ATOM 438 CG ARG A 28 0.782 -5.672 8.595 1.00 0.00 C ATOM 439 CD ARG A 28 1.306 -5.551 10.028 1.00 0.00 C ATOM 440 NE ARG A 28 0.221 -5.900 10.970 1.00 0.00 N ATOM 441 CZ ARG A 28 0.148 -5.512 12.234 1.00 0.00 C ATOM 442 NH1 ARG A 28 1.090 -4.874 12.866 1.00 0.00 N ATOM 443 NH2 ARG A 28 -0.940 -5.765 12.877 1.00 0.00 N ATOM 0 H ARG A 28 1.304 -2.877 5.326 1.00 0.00 H new ATOM 0 HA ARG A 28 0.305 -3.415 7.207 1.00 0.00 H new ATOM 0 HB2 ARG A 28 1.624 -5.499 6.618 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.732 -5.067 7.904 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.216 -5.238 8.539 1.00 0.00 H new ATOM 0 HG3 ARG A 28 0.687 -6.726 8.334 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.159 -6.214 10.174 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.656 -4.536 10.216 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.534 -6.488 10.617 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.959 -4.640 12.385 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.960 -4.608 13.842 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.707 -6.249 12.411 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.034 -5.482 13.852 1.00 0.00 H new ATOM 456 N ALA A 29 2.646 -1.995 8.908 1.00 0.00 N ATOM 457 CA ALA A 29 2.847 -1.129 10.101 1.00 0.00 C ATOM 458 C ALA A 29 1.966 0.162 10.214 1.00 0.00 C ATOM 459 O ALA A 29 1.368 0.404 11.263 1.00 0.00 O ATOM 460 CB ALA A 29 4.350 -0.816 10.159 1.00 0.00 C ATOM 0 H ALA A 29 3.499 -2.152 8.371 1.00 0.00 H new ATOM 0 HA ALA A 29 2.495 -1.687 10.968 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.556 -0.180 11.020 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.912 -1.745 10.252 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.650 -0.300 9.247 1.00 0.00 H new ATOM 466 N GLU A 30 1.858 0.946 9.137 1.00 0.00 N ATOM 467 CA GLU A 30 0.821 2.014 9.018 1.00 0.00 C ATOM 468 C GLU A 30 -0.593 1.505 8.540 1.00 0.00 C ATOM 469 O GLU A 30 -1.609 1.980 9.050 1.00 0.00 O ATOM 470 CB GLU A 30 1.397 3.130 8.110 1.00 0.00 C ATOM 471 CG GLU A 30 1.347 4.549 8.700 1.00 0.00 C ATOM 472 CD GLU A 30 0.082 5.326 8.412 1.00 0.00 C ATOM 473 OE1 GLU A 30 -0.137 5.875 7.337 1.00 0.00 O ATOM 474 OE2 GLU A 30 -0.755 5.375 9.482 1.00 0.00 O ATOM 0 H GLU A 30 2.471 0.872 8.325 1.00 0.00 H new ATOM 0 HA GLU A 30 0.613 2.405 10.014 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.434 2.887 7.878 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.850 3.127 7.167 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.473 4.480 9.780 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.196 5.114 8.316 1.00 0.00 H new ATOM 482 N ILE A 31 -0.646 0.543 7.601 1.00 0.00 N ATOM 483 CA ILE A 31 -1.916 -0.008 7.031 1.00 0.00 C ATOM 484 C ILE A 31 -2.861 -0.694 8.073 1.00 0.00 C ATOM 485 O ILE A 31 -4.018 -0.285 8.182 1.00 0.00 O ATOM 486 CB ILE A 31 -1.582 -0.933 5.805 1.00 0.00 C ATOM 487 CG1 ILE A 31 -0.819 -0.232 4.648 1.00 0.00 C ATOM 488 CG2 ILE A 31 -2.806 -1.656 5.194 1.00 0.00 C ATOM 489 CD1 ILE A 31 -1.460 1.014 4.044 1.00 0.00 C ATOM 0 H ILE A 31 0.191 0.115 7.205 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.506 0.842 6.687 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.924 -1.669 6.267 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.171 0.041 5.013 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.675 -0.959 3.849 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.483 -2.272 4.354 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.270 -2.289 5.951 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.528 -0.918 4.846 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.824 1.401 3.248 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.437 0.758 3.635 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.578 1.774 4.817 1.00 0.00 H new ATOM 501 N ALA A 32 -2.401 -1.715 8.812 1.00 0.00 N ATOM 502 CA ALA A 32 -3.228 -2.376 9.854 1.00 0.00 C ATOM 503 C ALA A 32 -3.745 -1.503 11.045 1.00 0.00 C ATOM 504 O ALA A 32 -4.868 -1.710 11.508 1.00 0.00 O ATOM 505 CB ALA A 32 -2.440 -3.596 10.341 1.00 0.00 C ATOM 0 H ALA A 32 -1.464 -2.106 8.714 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.170 -2.639 9.373 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.012 -4.115 11.111 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.261 -4.272 9.504 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.485 -3.271 10.755 1.00 0.00 H new ATOM 511 N GLN A 33 -2.935 -0.544 11.502 1.00 0.00 N ATOM 512 CA GLN A 33 -3.274 0.350 12.630 1.00 0.00 C ATOM 513 C GLN A 33 -4.199 1.557 12.247 1.00 0.00 C ATOM 514 O GLN A 33 -5.196 1.762 12.941 1.00 0.00 O ATOM 515 CB GLN A 33 -1.947 0.809 13.291 1.00 0.00 C ATOM 516 CG GLN A 33 -1.285 -0.194 14.267 1.00 0.00 C ATOM 517 CD GLN A 33 -0.857 -1.562 13.764 1.00 0.00 C ATOM 518 OE1 GLN A 33 -1.365 -2.599 14.174 1.00 0.00 O ATOM 519 NE2 GLN A 33 0.104 -1.648 12.883 1.00 0.00 N ATOM 0 H GLN A 33 -2.016 -0.359 11.101 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.879 -0.214 13.341 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.233 1.040 12.501 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.136 1.737 13.830 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.402 0.291 14.683 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.980 -0.353 15.092 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.545 -0.801 12.525 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.414 -2.562 12.554 1.00 0.00 H new ATOM 528 N ARG A 34 -3.902 2.344 11.194 1.00 0.00 N ATOM 529 CA ARG A 34 -4.772 3.494 10.790 1.00 0.00 C ATOM 530 C ARG A 34 -6.071 3.142 9.985 1.00 0.00 C ATOM 531 O ARG A 34 -7.069 3.843 10.166 1.00 0.00 O ATOM 532 CB ARG A 34 -3.861 4.574 10.149 1.00 0.00 C ATOM 533 CG ARG A 34 -4.543 5.939 9.910 1.00 0.00 C ATOM 534 CD ARG A 34 -3.676 7.180 10.189 1.00 0.00 C ATOM 535 NE ARG A 34 -2.675 7.429 9.128 1.00 0.00 N ATOM 536 CZ ARG A 34 -2.059 8.585 8.902 1.00 0.00 C ATOM 537 NH1 ARG A 34 -2.239 9.667 9.601 1.00 0.00 N ATOM 538 NH2 ARG A 34 -1.217 8.642 7.926 1.00 0.00 N ATOM 0 H ARG A 34 -3.078 2.216 10.606 1.00 0.00 H new ATOM 0 HA ARG A 34 -5.237 3.899 11.689 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.993 4.725 10.791 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.490 4.197 9.196 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.879 5.979 8.874 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.434 5.993 10.536 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.320 8.054 10.287 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.164 7.053 11.143 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.437 6.647 8.518 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.891 9.665 10.385 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -1.728 10.518 9.365 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.041 7.815 7.355 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.727 9.514 7.725 1.00 0.00 H new ATOM 551 N LEU A 35 -6.104 2.086 9.155 1.00 0.00 N ATOM 552 CA LEU A 35 -7.388 1.555 8.590 1.00 0.00 C ATOM 553 C LEU A 35 -8.198 0.538 9.485 1.00 0.00 C ATOM 554 O LEU A 35 -9.383 0.336 9.207 1.00 0.00 O ATOM 555 CB LEU A 35 -7.111 0.891 7.211 1.00 0.00 C ATOM 556 CG LEU A 35 -6.795 1.871 6.065 1.00 0.00 C ATOM 557 CD1 LEU A 35 -6.130 1.123 4.906 1.00 0.00 C ATOM 558 CD2 LEU A 35 -8.046 2.593 5.555 1.00 0.00 C ATOM 0 H LEU A 35 -5.273 1.577 8.854 1.00 0.00 H new ATOM 0 HA LEU A 35 -8.027 2.435 8.520 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.274 0.201 7.319 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.980 0.296 6.930 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.117 2.625 6.464 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.910 1.823 4.100 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.203 0.665 5.252 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.803 0.348 4.540 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.771 3.272 4.748 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -8.763 1.861 5.184 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.496 3.161 6.369 1.00 0.00 H new ATOM 570 N GLY A 36 -7.587 -0.107 10.492 1.00 0.00 N ATOM 571 CA GLY A 36 -8.300 -1.054 11.385 1.00 0.00 C ATOM 572 C GLY A 36 -8.549 -2.454 10.805 1.00 0.00 C ATOM 573 O GLY A 36 -9.685 -2.790 10.469 1.00 0.00 O ATOM 0 H GLY A 36 -6.598 0.006 10.714 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.726 -1.159 12.306 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.261 -0.616 11.656 1.00 0.00 H new ATOM 577 N PHE A 37 -7.493 -3.264 10.701 1.00 0.00 N ATOM 578 CA PHE A 37 -7.581 -4.616 10.097 1.00 0.00 C ATOM 579 C PHE A 37 -7.741 -5.750 11.162 1.00 0.00 C ATOM 580 O PHE A 37 -6.977 -5.855 12.124 1.00 0.00 O ATOM 581 CB PHE A 37 -6.305 -4.872 9.243 1.00 0.00 C ATOM 582 CG PHE A 37 -6.427 -4.389 7.791 1.00 0.00 C ATOM 583 CD1 PHE A 37 -6.129 -3.072 7.399 1.00 0.00 C ATOM 584 CD2 PHE A 37 -6.867 -5.293 6.817 1.00 0.00 C ATOM 585 CE1 PHE A 37 -6.246 -2.685 6.062 1.00 0.00 C ATOM 586 CE2 PHE A 37 -7.002 -4.899 5.486 1.00 0.00 C ATOM 587 CZ PHE A 37 -6.681 -3.600 5.108 1.00 0.00 C ATOM 0 H PHE A 37 -6.559 -3.015 11.026 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.476 -4.641 9.475 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -5.458 -4.372 9.713 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -6.086 -5.940 9.244 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.807 -2.353 8.138 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -7.105 -6.308 7.100 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.999 -1.675 5.769 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.356 -5.604 4.748 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.769 -3.301 4.074 1.00 0.00 H new ATOM 597 N ARG A 38 -8.669 -6.666 10.889 1.00 0.00 N ATOM 598 CA ARG A 38 -8.846 -7.930 11.651 1.00 0.00 C ATOM 599 C ARG A 38 -7.695 -8.992 11.672 1.00 0.00 C ATOM 600 O ARG A 38 -7.744 -9.914 12.490 1.00 0.00 O ATOM 601 CB ARG A 38 -10.200 -8.542 11.201 1.00 0.00 C ATOM 602 CG ARG A 38 -10.346 -9.173 9.800 1.00 0.00 C ATOM 603 CD ARG A 38 -10.066 -8.313 8.557 1.00 0.00 C ATOM 604 NE ARG A 38 -10.870 -7.069 8.560 1.00 0.00 N ATOM 605 CZ ARG A 38 -10.862 -6.132 7.628 1.00 0.00 C ATOM 606 NH1 ARG A 38 -10.174 -6.186 6.528 1.00 0.00 N ATOM 607 NH2 ARG A 38 -11.577 -5.082 7.836 1.00 0.00 N ATOM 0 H ARG A 38 -9.335 -6.562 10.124 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.822 -7.635 12.700 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.464 -9.309 11.929 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.951 -7.756 11.280 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.682 -10.036 9.758 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.365 -9.551 9.715 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -9.006 -8.061 8.520 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.289 -8.888 7.658 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.489 -6.921 9.357 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.585 -6.996 6.334 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.223 -5.419 5.858 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.121 -4.997 8.695 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.599 -4.335 7.142 1.00 0.00 H new ATOM 620 N SER A 39 -6.690 -8.901 10.788 1.00 0.00 N ATOM 621 CA SER A 39 -5.491 -9.777 10.826 1.00 0.00 C ATOM 622 C SER A 39 -4.256 -9.126 10.099 1.00 0.00 C ATOM 623 O SER A 39 -4.454 -8.531 9.031 1.00 0.00 O ATOM 624 CB SER A 39 -5.809 -11.146 10.165 1.00 0.00 C ATOM 625 OG SER A 39 -6.691 -11.917 10.980 1.00 0.00 O ATOM 0 H SER A 39 -6.678 -8.223 10.026 1.00 0.00 H new ATOM 0 HA SER A 39 -5.230 -9.917 11.875 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.261 -10.985 9.186 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.884 -11.698 10.002 1.00 0.00 H new ATOM 0 HG SER A 39 -7.054 -11.353 11.694 1.00 0.00 H new ATOM 631 N PRO A 40 -2.979 -9.287 10.555 1.00 0.00 N ATOM 632 CA PRO A 40 -1.761 -8.954 9.723 1.00 0.00 C ATOM 633 C PRO A 40 -1.702 -9.511 8.269 1.00 0.00 C ATOM 634 O PRO A 40 -1.382 -8.777 7.331 1.00 0.00 O ATOM 635 CB PRO A 40 -0.588 -9.477 10.600 1.00 0.00 C ATOM 636 CG PRO A 40 -1.145 -9.481 12.037 1.00 0.00 C ATOM 637 CD PRO A 40 -2.625 -9.855 11.874 1.00 0.00 C ATOM 0 HA PRO A 40 -1.745 -7.885 9.511 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.279 -10.476 10.293 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.287 -8.832 10.516 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.620 -10.202 12.664 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.032 -8.505 12.509 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.772 -10.935 11.899 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.236 -9.432 12.671 1.00 0.00 H new ATOM 645 N ASN A 41 -2.068 -10.790 8.094 1.00 0.00 N ATOM 646 CA ASN A 41 -2.229 -11.435 6.767 1.00 0.00 C ATOM 647 C ASN A 41 -3.339 -10.831 5.825 1.00 0.00 C ATOM 648 O ASN A 41 -3.135 -10.839 4.612 1.00 0.00 O ATOM 649 CB ASN A 41 -2.493 -12.954 6.961 1.00 0.00 C ATOM 650 CG ASN A 41 -1.358 -13.730 7.610 1.00 0.00 C ATOM 651 OD1 ASN A 41 -1.243 -13.794 8.827 1.00 0.00 O ATOM 652 ND2 ASN A 41 -0.483 -14.332 6.849 1.00 0.00 N ATOM 0 H ASN A 41 -2.264 -11.418 8.873 1.00 0.00 H new ATOM 0 HA ASN A 41 -1.290 -11.239 6.250 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -3.390 -13.076 7.569 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -2.705 -13.397 5.988 1.00 0.00 H new ATOM 0 HD21 ASN A 41 0.288 -14.850 7.270 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -0.571 -14.284 5.834 1.00 0.00 H new ATOM 659 N ALA A 42 -4.460 -10.311 6.356 1.00 0.00 N ATOM 660 CA ALA A 42 -5.430 -9.517 5.552 1.00 0.00 C ATOM 661 C ALA A 42 -4.885 -8.169 4.969 1.00 0.00 C ATOM 662 O ALA A 42 -5.048 -7.932 3.770 1.00 0.00 O ATOM 663 CB ALA A 42 -6.679 -9.319 6.424 1.00 0.00 C ATOM 0 H ALA A 42 -4.724 -10.421 7.335 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.659 -10.079 4.646 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.420 -8.740 5.873 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.099 -10.291 6.684 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.406 -8.786 7.335 1.00 0.00 H new ATOM 669 N ALA A 43 -4.201 -7.342 5.779 1.00 0.00 N ATOM 670 CA ALA A 43 -3.413 -6.187 5.271 1.00 0.00 C ATOM 671 C ALA A 43 -2.283 -6.531 4.239 1.00 0.00 C ATOM 672 O ALA A 43 -2.240 -5.922 3.169 1.00 0.00 O ATOM 673 CB ALA A 43 -2.865 -5.455 6.508 1.00 0.00 C ATOM 0 H ALA A 43 -4.173 -7.446 6.793 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.077 -5.556 4.679 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.276 -4.595 6.190 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.695 -5.117 7.128 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.235 -6.134 7.083 1.00 0.00 H new ATOM 679 N GLU A 44 -1.431 -7.526 4.536 1.00 0.00 N ATOM 680 CA GLU A 44 -0.430 -8.063 3.577 1.00 0.00 C ATOM 681 C GLU A 44 -0.990 -8.629 2.226 1.00 0.00 C ATOM 682 O GLU A 44 -0.483 -8.238 1.179 1.00 0.00 O ATOM 683 CB GLU A 44 0.440 -9.120 4.309 1.00 0.00 C ATOM 684 CG GLU A 44 1.476 -8.546 5.302 1.00 0.00 C ATOM 685 CD GLU A 44 2.649 -7.853 4.631 1.00 0.00 C ATOM 686 OE1 GLU A 44 2.715 -6.642 4.441 1.00 0.00 O ATOM 687 OE2 GLU A 44 3.599 -8.739 4.230 1.00 0.00 O ATOM 0 H GLU A 44 -1.410 -7.986 5.446 1.00 0.00 H new ATOM 0 HA GLU A 44 0.162 -7.206 3.256 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.220 -9.799 4.849 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.967 -9.714 3.562 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.978 -7.838 5.964 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.853 -9.355 5.927 1.00 0.00 H new ATOM 695 N GLU A 45 -2.022 -9.484 2.230 1.00 0.00 N ATOM 696 CA GLU A 45 -2.709 -9.952 0.981 1.00 0.00 C ATOM 697 C GLU A 45 -3.222 -8.831 0.020 1.00 0.00 C ATOM 698 O GLU A 45 -2.933 -8.892 -1.177 1.00 0.00 O ATOM 699 CB GLU A 45 -3.825 -10.925 1.444 1.00 0.00 C ATOM 700 CG GLU A 45 -4.516 -11.781 0.371 1.00 0.00 C ATOM 701 CD GLU A 45 -5.492 -11.155 -0.615 1.00 0.00 C ATOM 702 OE1 GLU A 45 -5.619 -11.561 -1.764 1.00 0.00 O ATOM 703 OE2 GLU A 45 -6.230 -10.142 -0.074 1.00 0.00 O ATOM 0 H GLU A 45 -2.415 -9.878 3.085 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.979 -10.449 0.342 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.396 -11.599 2.186 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.592 -10.339 1.951 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.729 -12.257 -0.215 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.051 -12.576 0.891 1.00 0.00 H new ATOM 711 N HIS A 46 -3.937 -7.819 0.539 1.00 0.00 N ATOM 712 CA HIS A 46 -4.296 -6.610 -0.257 1.00 0.00 C ATOM 713 C HIS A 46 -3.082 -5.762 -0.783 1.00 0.00 C ATOM 714 O HIS A 46 -3.116 -5.344 -1.939 1.00 0.00 O ATOM 715 CB HIS A 46 -5.278 -5.731 0.552 1.00 0.00 C ATOM 716 CG HIS A 46 -6.697 -6.312 0.677 1.00 0.00 C ATOM 717 ND1 HIS A 46 -7.500 -6.628 -0.411 1.00 0.00 N ATOM 718 CD2 HIS A 46 -7.362 -6.622 1.873 1.00 0.00 C ATOM 719 CE1 HIS A 46 -8.588 -7.135 0.242 1.00 0.00 C ATOM 720 NE2 HIS A 46 -8.600 -7.165 1.609 1.00 0.00 N ATOM 0 H HIS A 46 -4.281 -7.804 1.499 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.771 -6.984 -1.164 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.871 -5.579 1.552 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.341 -4.750 0.081 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.960 -6.458 2.862 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -9.432 -7.509 -0.318 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -9.321 -7.495 2.251 1.00 0.00 H new ATOM 728 N LEU A 47 -2.016 -5.570 0.011 1.00 0.00 N ATOM 729 CA LEU A 47 -0.706 -5.074 -0.498 1.00 0.00 C ATOM 730 C LEU A 47 -0.035 -5.907 -1.654 1.00 0.00 C ATOM 731 O LEU A 47 0.476 -5.290 -2.590 1.00 0.00 O ATOM 732 CB LEU A 47 0.282 -4.948 0.699 1.00 0.00 C ATOM 733 CG LEU A 47 0.010 -3.770 1.658 1.00 0.00 C ATOM 734 CD1 LEU A 47 0.657 -4.031 3.022 1.00 0.00 C ATOM 735 CD2 LEU A 47 0.561 -2.459 1.088 1.00 0.00 C ATOM 0 H LEU A 47 -2.026 -5.749 1.015 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.929 -4.113 -0.961 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.253 -5.875 1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.293 -4.848 0.305 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.070 -3.682 1.774 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.456 -3.191 3.687 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.242 -4.942 3.453 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.734 -4.146 2.898 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.356 -1.645 1.784 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.637 -2.549 0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.082 -2.248 0.132 1.00 0.00 H new ATOM 747 N LYS A 48 -0.038 -7.251 -1.613 1.00 0.00 N ATOM 748 CA LYS A 48 0.572 -8.089 -2.684 1.00 0.00 C ATOM 749 C LYS A 48 -0.171 -8.036 -4.074 1.00 0.00 C ATOM 750 O LYS A 48 0.486 -7.825 -5.095 1.00 0.00 O ATOM 751 CB LYS A 48 0.781 -9.566 -2.259 1.00 0.00 C ATOM 752 CG LYS A 48 1.452 -9.898 -0.916 1.00 0.00 C ATOM 753 CD LYS A 48 2.671 -9.054 -0.530 1.00 0.00 C ATOM 754 CE LYS A 48 3.174 -9.392 0.877 1.00 0.00 C ATOM 755 NZ LYS A 48 4.315 -8.514 1.206 1.00 0.00 N ATOM 0 H LYS A 48 -0.454 -7.789 -0.853 1.00 0.00 H new ATOM 0 HA LYS A 48 1.547 -7.623 -2.829 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.199 -10.043 -2.257 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.368 -10.047 -3.041 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.705 -9.798 -0.128 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.755 -10.945 -0.936 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.471 -9.220 -1.252 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.411 -7.997 -0.579 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.374 -9.257 1.605 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.478 -10.438 0.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.352 -8.364 2.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.199 -8.960 0.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.198 -7.598 0.727 1.00 0.00 H new ATOM 768 N ALA A 49 -1.507 -8.179 -4.103 1.00 0.00 N ATOM 769 CA ALA A 49 -2.319 -7.874 -5.313 1.00 0.00 C ATOM 770 C ALA A 49 -2.249 -6.400 -5.859 1.00 0.00 C ATOM 771 O ALA A 49 -2.166 -6.198 -7.071 1.00 0.00 O ATOM 772 CB ALA A 49 -3.760 -8.289 -4.978 1.00 0.00 C ATOM 0 H ALA A 49 -2.056 -8.503 -3.307 1.00 0.00 H new ATOM 0 HA ALA A 49 -1.895 -8.436 -6.145 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.405 -8.087 -5.833 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.787 -9.354 -4.746 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.111 -7.721 -4.117 1.00 0.00 H new ATOM 778 N LEU A 50 -2.239 -5.397 -4.976 1.00 0.00 N ATOM 779 CA LEU A 50 -2.002 -3.974 -5.351 1.00 0.00 C ATOM 780 C LEU A 50 -0.584 -3.656 -5.942 1.00 0.00 C ATOM 781 O LEU A 50 -0.502 -3.034 -7.002 1.00 0.00 O ATOM 782 CB LEU A 50 -2.317 -3.182 -4.059 1.00 0.00 C ATOM 783 CG LEU A 50 -2.424 -1.656 -4.184 1.00 0.00 C ATOM 784 CD1 LEU A 50 -3.671 -1.218 -4.954 1.00 0.00 C ATOM 785 CD2 LEU A 50 -2.455 -1.060 -2.769 1.00 0.00 C ATOM 0 H LEU A 50 -2.394 -5.535 -3.977 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.640 -3.691 -6.188 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.258 -3.555 -3.654 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.543 -3.408 -3.326 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.562 -1.296 -4.746 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.698 -0.130 -5.014 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.643 -1.636 -5.960 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.562 -1.576 -4.438 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.531 0.025 -2.833 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.316 -1.453 -2.228 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.540 -1.329 -2.241 1.00 0.00 H new ATOM 797 N ALA A 51 0.504 -4.114 -5.302 1.00 0.00 N ATOM 798 CA ALA A 51 1.862 -4.125 -5.912 1.00 0.00 C ATOM 799 C ALA A 51 2.025 -4.873 -7.285 1.00 0.00 C ATOM 800 O ALA A 51 2.713 -4.353 -8.164 1.00 0.00 O ATOM 801 CB ALA A 51 2.807 -4.703 -4.847 1.00 0.00 C ATOM 0 H ALA A 51 0.478 -4.487 -4.353 1.00 0.00 H new ATOM 0 HA ALA A 51 2.097 -3.098 -6.191 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.823 -4.735 -5.241 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.782 -4.073 -3.958 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.487 -5.712 -4.586 1.00 0.00 H new ATOM 807 N ARG A 52 1.357 -6.022 -7.484 1.00 0.00 N ATOM 808 CA ARG A 52 1.204 -6.668 -8.825 1.00 0.00 C ATOM 809 C ARG A 52 0.570 -5.799 -9.973 1.00 0.00 C ATOM 810 O ARG A 52 0.976 -5.956 -11.125 1.00 0.00 O ATOM 811 CB ARG A 52 0.427 -7.985 -8.564 1.00 0.00 C ATOM 812 CG ARG A 52 0.304 -8.939 -9.767 1.00 0.00 C ATOM 813 CD ARG A 52 -0.455 -10.219 -9.385 1.00 0.00 C ATOM 814 NE ARG A 52 -0.619 -11.040 -10.604 1.00 0.00 N ATOM 815 CZ ARG A 52 -1.233 -12.208 -10.670 1.00 0.00 C ATOM 816 NH1 ARG A 52 -1.770 -12.817 -9.654 1.00 0.00 N ATOM 817 NH2 ARG A 52 -1.299 -12.774 -11.826 1.00 0.00 N ATOM 0 H ARG A 52 0.904 -6.538 -6.730 1.00 0.00 H new ATOM 0 HA ARG A 52 2.198 -6.835 -9.240 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.917 -8.519 -7.749 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.576 -7.731 -8.221 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.215 -8.435 -10.583 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.298 -9.198 -10.133 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.094 -10.774 -8.624 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.428 -9.972 -8.960 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.224 -10.672 -11.469 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.733 -12.392 -8.727 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.228 -13.719 -9.784 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.887 -12.319 -12.641 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.763 -13.677 -11.926 1.00 0.00 H new ATOM 830 N LYS A 53 -0.358 -4.874 -9.678 1.00 0.00 N ATOM 831 CA LYS A 53 -0.769 -3.813 -10.650 1.00 0.00 C ATOM 832 C LYS A 53 0.315 -2.725 -11.044 1.00 0.00 C ATOM 833 O LYS A 53 0.128 -2.022 -12.041 1.00 0.00 O ATOM 834 CB LYS A 53 -2.050 -3.155 -10.055 1.00 0.00 C ATOM 835 CG LYS A 53 -2.912 -2.410 -11.089 1.00 0.00 C ATOM 836 CD LYS A 53 -4.245 -1.879 -10.538 1.00 0.00 C ATOM 837 CE LYS A 53 -4.197 -0.482 -9.904 1.00 0.00 C ATOM 838 NZ LYS A 53 -3.626 -0.494 -8.543 1.00 0.00 N ATOM 0 H LYS A 53 -0.844 -4.828 -8.782 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.936 -4.303 -11.609 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.656 -3.928 -9.582 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.756 -2.456 -9.272 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.338 -1.573 -11.487 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.119 -3.081 -11.923 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.972 -1.864 -11.350 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.615 -2.583 -9.793 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.605 0.179 -10.536 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.205 -0.069 -9.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.930 0.359 -8.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.958 -1.339 -8.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.588 -0.511 -8.602 1.00 0.00 H new ATOM 851 N GLY A 54 1.412 -2.579 -10.285 1.00 0.00 N ATOM 852 CA GLY A 54 2.514 -1.643 -10.620 1.00 0.00 C ATOM 853 C GLY A 54 2.374 -0.239 -10.020 1.00 0.00 C ATOM 854 O GLY A 54 2.141 0.715 -10.764 1.00 0.00 O ATOM 0 H GLY A 54 1.567 -3.101 -9.423 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.455 -2.076 -10.279 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.578 -1.554 -11.704 1.00 0.00 H new ATOM 858 N VAL A 55 2.509 -0.131 -8.689 1.00 0.00 N ATOM 859 CA VAL A 55 2.217 1.140 -7.961 1.00 0.00 C ATOM 860 C VAL A 55 3.331 1.672 -6.983 1.00 0.00 C ATOM 861 O VAL A 55 3.376 2.887 -6.774 1.00 0.00 O ATOM 862 CB VAL A 55 0.820 1.162 -7.256 1.00 0.00 C ATOM 863 CG1 VAL A 55 -0.359 0.942 -8.221 1.00 0.00 C ATOM 864 CG2 VAL A 55 0.646 0.222 -6.061 1.00 0.00 C ATOM 0 H VAL A 55 2.816 -0.896 -8.088 1.00 0.00 H new ATOM 0 HA VAL A 55 2.203 1.848 -8.790 1.00 0.00 H new ATOM 0 HB VAL A 55 0.803 2.179 -6.865 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.295 0.970 -7.664 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.363 1.728 -8.976 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.255 -0.028 -8.707 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.361 0.328 -5.658 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.802 -0.808 -6.382 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.373 0.475 -5.290 1.00 0.00 H new ATOM 874 N ILE A 56 4.170 0.827 -6.360 1.00 0.00 N ATOM 875 CA ILE A 56 5.212 1.283 -5.389 1.00 0.00 C ATOM 876 C ILE A 56 6.598 0.574 -5.611 1.00 0.00 C ATOM 877 O ILE A 56 6.663 -0.618 -5.925 1.00 0.00 O ATOM 878 CB ILE A 56 4.794 1.191 -3.877 1.00 0.00 C ATOM 879 CG1 ILE A 56 4.551 -0.205 -3.268 1.00 0.00 C ATOM 880 CG2 ILE A 56 3.687 2.193 -3.510 1.00 0.00 C ATOM 881 CD1 ILE A 56 3.264 -0.943 -3.613 1.00 0.00 C ATOM 0 H ILE A 56 4.156 -0.183 -6.504 1.00 0.00 H new ATOM 0 HA ILE A 56 5.318 2.344 -5.613 1.00 0.00 H new ATOM 0 HB ILE A 56 5.718 1.486 -3.380 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.385 -0.842 -3.561 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.593 -0.104 -2.184 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.436 2.087 -2.455 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.037 3.208 -3.700 1.00 0.00 H new ATOM 0 HG23 ILE A 56 2.802 1.995 -4.115 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.250 -1.907 -3.104 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.407 -0.350 -3.292 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.213 -1.101 -4.690 1.00 0.00 H new ATOM 893 N GLU A 57 7.700 1.305 -5.373 1.00 0.00 N ATOM 894 CA GLU A 57 9.062 0.713 -5.338 1.00 0.00 C ATOM 895 C GLU A 57 9.401 0.220 -3.890 1.00 0.00 C ATOM 896 O GLU A 57 9.573 1.034 -2.978 1.00 0.00 O ATOM 897 CB GLU A 57 10.089 1.776 -5.821 1.00 0.00 C ATOM 898 CG GLU A 57 11.405 1.233 -6.419 1.00 0.00 C ATOM 899 CD GLU A 57 12.235 0.308 -5.553 1.00 0.00 C ATOM 900 OE1 GLU A 57 13.033 0.688 -4.704 1.00 0.00 O ATOM 901 OE2 GLU A 57 11.955 -1.001 -5.800 1.00 0.00 O ATOM 0 H GLU A 57 7.681 2.310 -5.201 1.00 0.00 H new ATOM 0 HA GLU A 57 9.107 -0.150 -6.002 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.606 2.403 -6.570 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.337 2.421 -4.978 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.163 0.704 -7.341 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.027 2.085 -6.694 1.00 0.00 H new ATOM 909 N ILE A 58 9.529 -1.096 -3.708 1.00 0.00 N ATOM 910 CA ILE A 58 10.013 -1.699 -2.425 1.00 0.00 C ATOM 911 C ILE A 58 11.536 -2.068 -2.593 1.00 0.00 C ATOM 912 O ILE A 58 11.955 -2.634 -3.609 1.00 0.00 O ATOM 913 CB ILE A 58 9.132 -2.936 -2.004 1.00 0.00 C ATOM 914 CG1 ILE A 58 7.625 -2.564 -1.838 1.00 0.00 C ATOM 915 CG2 ILE A 58 9.618 -3.549 -0.661 1.00 0.00 C ATOM 916 CD1 ILE A 58 6.670 -3.762 -1.834 1.00 0.00 C ATOM 0 H ILE A 58 9.307 -1.784 -4.427 1.00 0.00 H new ATOM 0 HA ILE A 58 9.915 -0.979 -1.612 1.00 0.00 H new ATOM 0 HB ILE A 58 9.240 -3.659 -2.813 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.501 -2.014 -0.905 1.00 0.00 H new ATOM 0 HG13 ILE A 58 7.339 -1.891 -2.646 1.00 0.00 H new ATOM 0 HG21 ILE A 58 8.988 -4.400 -0.400 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.651 -3.880 -0.765 1.00 0.00 H new ATOM 0 HG23 ILE A 58 9.556 -2.797 0.126 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.645 -3.410 -1.714 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.760 -4.302 -2.776 1.00 0.00 H new ATOM 0 HD13 ILE A 58 6.924 -4.427 -1.009 1.00 0.00 H new ATOM 928 N VAL A 59 12.354 -1.725 -1.592 1.00 0.00 N ATOM 929 CA VAL A 59 13.818 -2.044 -1.590 1.00 0.00 C ATOM 930 C VAL A 59 14.125 -3.393 -0.864 1.00 0.00 C ATOM 931 O VAL A 59 13.480 -3.754 0.127 1.00 0.00 O ATOM 932 CB VAL A 59 14.599 -0.804 -1.050 1.00 0.00 C ATOM 933 CG1 VAL A 59 14.456 -0.513 0.450 1.00 0.00 C ATOM 934 CG2 VAL A 59 16.104 -0.858 -1.385 1.00 0.00 C ATOM 0 H VAL A 59 12.041 -1.223 -0.761 1.00 0.00 H new ATOM 0 HA VAL A 59 14.170 -2.224 -2.606 1.00 0.00 H new ATOM 0 HB VAL A 59 14.110 0.013 -1.580 1.00 0.00 H new ATOM 0 HG11 VAL A 59 15.042 0.369 0.707 1.00 0.00 H new ATOM 0 HG12 VAL A 59 13.407 -0.334 0.688 1.00 0.00 H new ATOM 0 HG13 VAL A 59 14.817 -1.368 1.022 1.00 0.00 H new ATOM 0 HG21 VAL A 59 16.598 0.028 -0.986 1.00 0.00 H new ATOM 0 HG22 VAL A 59 16.544 -1.750 -0.939 1.00 0.00 H new ATOM 0 HG23 VAL A 59 16.235 -0.890 -2.467 1.00 0.00 H new ATOM 944 N SER A 60 15.133 -4.132 -1.349 1.00 0.00 N ATOM 945 CA SER A 60 15.549 -5.427 -0.747 1.00 0.00 C ATOM 946 C SER A 60 16.350 -5.274 0.589 1.00 0.00 C ATOM 947 O SER A 60 17.580 -5.165 0.594 1.00 0.00 O ATOM 948 CB SER A 60 16.352 -6.204 -1.826 1.00 0.00 C ATOM 949 OG SER A 60 17.596 -5.573 -2.144 1.00 0.00 O ATOM 0 H SER A 60 15.685 -3.860 -2.163 1.00 0.00 H new ATOM 0 HA SER A 60 14.659 -5.984 -0.455 1.00 0.00 H new ATOM 0 HB2 SER A 60 16.542 -7.217 -1.473 1.00 0.00 H new ATOM 0 HB3 SER A 60 15.750 -6.290 -2.731 1.00 0.00 H new ATOM 0 HG SER A 60 18.035 -5.280 -1.318 1.00 0.00 H new ATOM 955 N GLY A 61 15.617 -5.248 1.705 1.00 0.00 N ATOM 956 CA GLY A 61 16.196 -4.978 3.044 1.00 0.00 C ATOM 957 C GLY A 61 15.222 -4.202 3.941 1.00 0.00 C ATOM 958 O GLY A 61 14.494 -4.804 4.734 1.00 0.00 O ATOM 0 H GLY A 61 14.610 -5.411 1.717 1.00 0.00 H new ATOM 0 HA2 GLY A 61 16.458 -5.921 3.523 1.00 0.00 H new ATOM 0 HA3 GLY A 61 17.119 -4.409 2.933 1.00 0.00 H new ATOM 962 N ALA A 62 15.172 -2.872 3.777 1.00 0.00 N ATOM 963 CA ALA A 62 14.135 -2.030 4.427 1.00 0.00 C ATOM 964 C ALA A 62 12.730 -2.218 3.769 1.00 0.00 C ATOM 965 O ALA A 62 12.405 -1.610 2.747 1.00 0.00 O ATOM 966 CB ALA A 62 14.629 -0.577 4.356 1.00 0.00 C ATOM 0 H ALA A 62 15.833 -2.349 3.202 1.00 0.00 H new ATOM 0 HA ALA A 62 13.996 -2.327 5.467 1.00 0.00 H new ATOM 0 HB1 ALA A 62 13.896 0.080 4.824 1.00 0.00 H new ATOM 0 HB2 ALA A 62 15.581 -0.490 4.881 1.00 0.00 H new ATOM 0 HB3 ALA A 62 14.762 -0.288 3.313 1.00 0.00 H new ATOM 972 N SER A 63 11.914 -3.097 4.360 1.00 0.00 N ATOM 973 CA SER A 63 10.700 -3.640 3.679 1.00 0.00 C ATOM 974 C SER A 63 9.410 -2.748 3.596 1.00 0.00 C ATOM 975 O SER A 63 8.351 -3.244 3.205 1.00 0.00 O ATOM 976 CB SER A 63 10.421 -5.019 4.331 1.00 0.00 C ATOM 977 OG SER A 63 11.485 -5.946 4.086 1.00 0.00 O ATOM 0 H SER A 63 12.058 -3.456 5.304 1.00 0.00 H new ATOM 0 HA SER A 63 10.943 -3.694 2.618 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.288 -4.893 5.406 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.488 -5.424 3.940 1.00 0.00 H new ATOM 0 HG SER A 63 11.277 -6.803 4.513 1.00 0.00 H new ATOM 983 N ARG A 64 9.508 -1.439 3.865 1.00 0.00 N ATOM 984 CA ARG A 64 8.544 -0.429 3.350 1.00 0.00 C ATOM 985 C ARG A 64 8.880 -0.001 1.890 1.00 0.00 C ATOM 986 O ARG A 64 8.170 -0.409 0.969 1.00 0.00 O ATOM 987 CB ARG A 64 8.417 0.731 4.369 1.00 0.00 C ATOM 988 CG ARG A 64 7.462 0.358 5.527 1.00 0.00 C ATOM 989 CD ARG A 64 7.177 1.505 6.497 1.00 0.00 C ATOM 990 NE ARG A 64 8.279 1.726 7.460 1.00 0.00 N ATOM 991 CZ ARG A 64 8.462 1.081 8.600 1.00 0.00 C ATOM 992 NH1 ARG A 64 7.717 0.101 9.021 1.00 0.00 N ATOM 993 NH2 ARG A 64 9.451 1.453 9.336 1.00 0.00 N ATOM 0 H ARG A 64 10.250 -1.041 4.441 1.00 0.00 H new ATOM 0 HA ARG A 64 7.550 -0.868 3.265 1.00 0.00 H new ATOM 0 HB2 ARG A 64 9.401 0.975 4.770 1.00 0.00 H new ATOM 0 HB3 ARG A 64 8.048 1.624 3.864 1.00 0.00 H new ATOM 0 HG2 ARG A 64 6.519 0.009 5.107 1.00 0.00 H new ATOM 0 HG3 ARG A 64 7.891 -0.475 6.083 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.006 2.420 5.931 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.259 1.293 7.044 1.00 0.00 H new ATOM 0 HE ARG A 64 8.963 2.444 7.222 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.928 -0.218 8.458 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.922 -0.348 9.914 1.00 0.00 H new ATOM 0 HH21 ARG A 64 10.055 2.216 9.031 1.00 0.00 H new ATOM 0 HH22 ARG A 64 9.631 0.984 10.224 1.00 0.00 H new ATOM 1006 N GLY A 65 9.970 0.745 1.672 1.00 0.00 N ATOM 1007 CA GLY A 65 10.478 1.013 0.309 1.00 0.00 C ATOM 1008 C GLY A 65 11.079 2.400 0.060 1.00 0.00 C ATOM 1009 O GLY A 65 11.702 2.999 0.936 1.00 0.00 O ATOM 0 H GLY A 65 10.520 1.175 2.416 1.00 0.00 H new ATOM 0 HA2 GLY A 65 11.237 0.266 0.076 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.659 0.866 -0.395 1.00 0.00 H new ATOM 1013 N ILE A 66 10.894 2.875 -1.176 1.00 0.00 N ATOM 1014 CA ILE A 66 11.466 4.164 -1.654 1.00 0.00 C ATOM 1015 C ILE A 66 10.338 5.171 -2.088 1.00 0.00 C ATOM 1016 O ILE A 66 10.313 6.289 -1.574 1.00 0.00 O ATOM 1017 CB ILE A 66 12.546 3.955 -2.778 1.00 0.00 C ATOM 1018 CG1 ILE A 66 13.681 2.952 -2.435 1.00 0.00 C ATOM 1019 CG2 ILE A 66 13.190 5.283 -3.252 1.00 0.00 C ATOM 1020 CD1 ILE A 66 14.570 3.272 -1.236 1.00 0.00 C ATOM 0 H ILE A 66 10.345 2.386 -1.883 1.00 0.00 H new ATOM 0 HA ILE A 66 11.988 4.616 -0.810 1.00 0.00 H new ATOM 0 HB ILE A 66 11.958 3.515 -3.584 1.00 0.00 H new ATOM 0 HG12 ILE A 66 13.226 1.976 -2.265 1.00 0.00 H new ATOM 0 HG13 ILE A 66 14.321 2.857 -3.312 1.00 0.00 H new ATOM 0 HG21 ILE A 66 13.927 5.074 -4.028 1.00 0.00 H new ATOM 0 HG22 ILE A 66 12.418 5.939 -3.653 1.00 0.00 H new ATOM 0 HG23 ILE A 66 13.679 5.771 -2.409 1.00 0.00 H new ATOM 0 HD11 ILE A 66 15.316 2.487 -1.116 1.00 0.00 H new ATOM 0 HD12 ILE A 66 15.071 4.226 -1.399 1.00 0.00 H new ATOM 0 HD13 ILE A 66 13.959 3.332 -0.336 1.00 0.00 H new ATOM 1032 N ARG A 67 9.474 4.825 -3.063 1.00 0.00 N ATOM 1033 CA ARG A 67 8.628 5.827 -3.780 1.00 0.00 C ATOM 1034 C ARG A 67 7.300 5.247 -4.387 1.00 0.00 C ATOM 1035 O ARG A 67 7.105 4.032 -4.488 1.00 0.00 O ATOM 1036 CB ARG A 67 9.503 6.547 -4.860 1.00 0.00 C ATOM 1037 CG ARG A 67 10.026 5.664 -6.009 1.00 0.00 C ATOM 1038 CD ARG A 67 10.929 6.443 -6.973 1.00 0.00 C ATOM 1039 NE ARG A 67 11.452 5.530 -8.018 1.00 0.00 N ATOM 1040 CZ ARG A 67 12.570 4.826 -7.955 1.00 0.00 C ATOM 1041 NH1 ARG A 67 13.377 4.814 -6.935 1.00 0.00 N ATOM 1042 NH2 ARG A 67 12.870 4.100 -8.976 1.00 0.00 N ATOM 0 H ARG A 67 9.337 3.865 -3.379 1.00 0.00 H new ATOM 0 HA ARG A 67 8.281 6.547 -3.039 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.917 7.359 -5.291 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.358 7.002 -4.361 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.581 4.822 -5.595 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.182 5.249 -6.560 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.368 7.256 -7.434 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.756 6.896 -6.426 1.00 0.00 H new ATOM 0 HE ARG A 67 10.896 5.436 -8.868 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.164 5.374 -6.110 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.223 4.244 -6.960 1.00 0.00 H new ATOM 0 HH21 ARG A 67 12.255 4.085 -9.789 1.00 0.00 H new ATOM 0 HH22 ARG A 67 13.723 3.541 -8.971 1.00 0.00 H new ATOM 1055 N LEU A 68 6.415 6.147 -4.842 1.00 0.00 N ATOM 1056 CA LEU A 68 5.266 5.786 -5.724 1.00 0.00 C ATOM 1057 C LEU A 68 5.728 5.661 -7.222 1.00 0.00 C ATOM 1058 O LEU A 68 6.272 6.608 -7.796 1.00 0.00 O ATOM 1059 CB LEU A 68 4.204 6.908 -5.546 1.00 0.00 C ATOM 1060 CG LEU A 68 2.804 6.615 -6.135 1.00 0.00 C ATOM 1061 CD1 LEU A 68 2.000 5.655 -5.251 1.00 0.00 C ATOM 1062 CD2 LEU A 68 2.011 7.929 -6.257 1.00 0.00 C ATOM 0 H LEU A 68 6.464 7.141 -4.618 1.00 0.00 H new ATOM 0 HA LEU A 68 4.848 4.816 -5.453 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.093 7.111 -4.481 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.586 7.819 -6.006 1.00 0.00 H new ATOM 0 HG LEU A 68 2.953 6.152 -7.111 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.024 5.477 -5.702 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.535 4.710 -5.159 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.868 6.095 -4.262 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.025 7.722 -6.672 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.902 8.381 -5.271 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.544 8.616 -6.914 1.00 0.00 H new ATOM 1074 N LEU A 69 5.501 4.496 -7.831 1.00 0.00 N ATOM 1075 CA LEU A 69 5.794 4.259 -9.266 1.00 0.00 C ATOM 1076 C LEU A 69 4.461 4.348 -10.081 1.00 0.00 C ATOM 1077 O LEU A 69 3.568 3.518 -9.911 1.00 0.00 O ATOM 1078 CB LEU A 69 6.400 2.842 -9.476 1.00 0.00 C ATOM 1079 CG LEU A 69 7.797 2.582 -8.888 1.00 0.00 C ATOM 1080 CD1 LEU A 69 8.144 1.093 -9.082 1.00 0.00 C ATOM 1081 CD2 LEU A 69 8.894 3.431 -9.531 1.00 0.00 C ATOM 0 H LEU A 69 5.109 3.684 -7.354 1.00 0.00 H new ATOM 0 HA LEU A 69 6.508 5.011 -9.603 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.712 2.113 -9.048 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.443 2.648 -10.548 1.00 0.00 H new ATOM 0 HG LEU A 69 7.758 2.856 -7.834 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.133 0.893 -8.670 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.405 0.477 -8.568 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.139 0.854 -10.145 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.853 3.197 -9.069 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.943 3.215 -10.598 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.669 4.487 -9.385 1.00 0.00 H new ATOM 1093 N GLN A 70 4.342 5.365 -10.937 1.00 0.00 N ATOM 1094 CA GLN A 70 3.222 5.511 -11.927 1.00 0.00 C ATOM 1095 C GLN A 70 1.726 5.683 -11.481 1.00 0.00 C ATOM 1096 O GLN A 70 0.885 6.081 -12.290 1.00 0.00 O ATOM 1097 CB GLN A 70 3.404 4.581 -13.154 1.00 0.00 C ATOM 1098 CG GLN A 70 3.058 3.089 -12.982 1.00 0.00 C ATOM 1099 CD GLN A 70 3.275 2.274 -14.250 1.00 0.00 C ATOM 1100 OE1 GLN A 70 4.390 2.097 -14.727 1.00 0.00 O ATOM 1101 NE2 GLN A 70 2.243 1.731 -14.839 1.00 0.00 N ATOM 0 H GLN A 70 5.017 6.129 -10.979 1.00 0.00 H new ATOM 0 HA GLN A 70 3.381 6.555 -12.197 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.793 4.975 -13.966 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.444 4.649 -13.475 1.00 0.00 H new ATOM 0 HG2 GLN A 70 3.667 2.671 -12.180 1.00 0.00 H new ATOM 0 HG3 GLN A 70 2.017 2.997 -12.672 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.307 1.867 -14.456 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.373 1.171 -15.681 1.00 0.00 H new ATOM 1110 N GLU A 71 1.425 5.388 -10.219 1.00 0.00 N ATOM 1111 CA GLU A 71 0.061 5.427 -9.622 1.00 0.00 C ATOM 1112 C GLU A 71 -0.939 4.288 -10.015 1.00 0.00 C ATOM 1113 O GLU A 71 -1.694 3.845 -9.149 1.00 0.00 O ATOM 1114 CB GLU A 71 -0.550 6.856 -9.640 1.00 0.00 C ATOM 1115 CG GLU A 71 -1.606 7.086 -8.540 1.00 0.00 C ATOM 1116 CD GLU A 71 -2.181 8.487 -8.489 1.00 0.00 C ATOM 1117 OE1 GLU A 71 -3.341 8.760 -8.774 1.00 0.00 O ATOM 1118 OE2 GLU A 71 -1.279 9.404 -8.046 1.00 0.00 O ATOM 0 H GLU A 71 2.138 5.103 -9.547 1.00 0.00 H new ATOM 0 HA GLU A 71 0.243 5.166 -8.579 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.250 7.587 -9.523 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.006 7.036 -10.614 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.423 6.379 -8.687 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.158 6.858 -7.573 1.00 0.00 H new ATOM 1126 N GLU A 72 -0.970 3.818 -11.269 1.00 0.00 N ATOM 1127 CA GLU A 72 -1.795 2.647 -11.671 1.00 0.00 C ATOM 1128 C GLU A 72 -0.887 1.536 -12.271 1.00 0.00 C ATOM 1129 O GLU A 72 -0.309 1.621 -13.352 1.00 0.00 O ATOM 1130 CB GLU A 72 -2.896 3.084 -12.668 1.00 0.00 C ATOM 1131 CG GLU A 72 -4.044 3.874 -12.001 1.00 0.00 C ATOM 1132 CD GLU A 72 -5.107 4.338 -12.980 1.00 0.00 C ATOM 1133 OE1 GLU A 72 -6.171 3.755 -13.152 1.00 0.00 O ATOM 1134 OE2 GLU A 72 -4.734 5.475 -13.635 1.00 0.00 O ATOM 0 H GLU A 72 -0.433 4.227 -12.034 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.290 2.236 -10.791 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.447 3.698 -13.449 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -3.307 2.200 -13.155 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.510 3.249 -11.240 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.628 4.742 -11.490 1.00 0.00 H new TER 1142 GLU A 72