USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 628 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 60 TYR OH : rot 180:sc= 0.994 USER MOD Set 1.2: A 70 SER OG : rot 120:sc= 1.15 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -162:sc= -0.0762 (180deg=-0.374) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00128 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -157:sc= -0.113 (180deg=-0.747) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -4.78! X(o=-4.8!,f=-5.1) USER MOD Single : A 39 MET CE :methyl -173:sc=-0.00137 (180deg=-0.0167) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -108:sc= -0.332 (180deg=-1.73) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -160:sc= -0.0823 (180deg=-0.619) USER MOD Single : A 64 GLN : amide:sc= -8.25! C(o=-8.2!,f=-8!) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0979 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 70.334 0.961 -10.349 1.00 0.00 N ATOM 2 CA MET A 1 69.077 0.223 -10.040 1.00 0.00 C ATOM 3 C MET A 1 69.368 -1.265 -9.907 1.00 0.00 C ATOM 4 O MET A 1 68.802 -2.084 -10.630 1.00 0.00 O ATOM 5 CB MET A 1 68.066 0.463 -11.161 1.00 0.00 C ATOM 6 CG MET A 1 67.580 1.910 -11.102 1.00 0.00 C ATOM 7 SD MET A 1 66.416 2.211 -12.454 1.00 0.00 S ATOM 8 CE MET A 1 66.335 4.012 -12.288 1.00 0.00 C ATOM 0 H1 MET A 1 70.203 1.972 -10.141 1.00 0.00 H new ATOM 0 H2 MET A 1 71.109 0.585 -9.767 1.00 0.00 H new ATOM 0 H3 MET A 1 70.568 0.842 -11.355 1.00 0.00 H new ATOM 0 HA MET A 1 68.665 0.582 -9.097 1.00 0.00 H new ATOM 0 HB2 MET A 1 68.524 0.261 -12.129 1.00 0.00 H new ATOM 0 HB3 MET A 1 67.223 -0.220 -11.058 1.00 0.00 H new ATOM 0 HG2 MET A 1 67.099 2.104 -10.144 1.00 0.00 H new ATOM 0 HG3 MET A 1 68.426 2.593 -11.178 1.00 0.00 H new ATOM 0 HE1 MET A 1 65.658 4.417 -13.041 1.00 0.00 H new ATOM 0 HE2 MET A 1 65.969 4.270 -11.294 1.00 0.00 H new ATOM 0 HE3 MET A 1 67.329 4.435 -12.429 1.00 0.00 H new ATOM 20 N TYR A 2 70.251 -1.613 -8.979 1.00 0.00 N ATOM 21 CA TYR A 2 70.597 -3.014 -8.769 1.00 0.00 C ATOM 22 C TYR A 2 69.457 -3.715 -8.042 1.00 0.00 C ATOM 23 O TYR A 2 68.940 -3.211 -7.044 1.00 0.00 O ATOM 24 CB TYR A 2 71.893 -3.128 -7.955 1.00 0.00 C ATOM 25 CG TYR A 2 72.478 -4.525 -8.096 1.00 0.00 C ATOM 26 CD1 TYR A 2 72.049 -5.566 -7.254 1.00 0.00 C ATOM 27 CD2 TYR A 2 73.460 -4.781 -9.070 1.00 0.00 C ATOM 28 CE1 TYR A 2 72.598 -6.849 -7.388 1.00 0.00 C ATOM 29 CE2 TYR A 2 74.003 -6.064 -9.200 1.00 0.00 C ATOM 30 CZ TYR A 2 73.572 -7.097 -8.361 1.00 0.00 C ATOM 31 OH TYR A 2 74.110 -8.360 -8.491 1.00 0.00 O ATOM 0 H TYR A 2 70.735 -0.955 -8.368 1.00 0.00 H new ATOM 0 HA TYR A 2 70.755 -3.491 -9.736 1.00 0.00 H new ATOM 0 HB2 TYR A 2 72.614 -2.387 -8.299 1.00 0.00 H new ATOM 0 HB3 TYR A 2 71.692 -2.914 -6.905 1.00 0.00 H new ATOM 0 HD1 TYR A 2 71.296 -5.377 -6.503 1.00 0.00 H new ATOM 0 HD2 TYR A 2 73.796 -3.986 -9.719 1.00 0.00 H new ATOM 0 HE1 TYR A 2 72.269 -7.647 -6.739 1.00 0.00 H new ATOM 0 HE2 TYR A 2 74.756 -6.257 -9.949 1.00 0.00 H new ATOM 0 HH TYR A 2 74.771 -8.361 -9.214 1.00 0.00 H new ATOM 41 N GLU A 3 69.057 -4.876 -8.553 1.00 0.00 N ATOM 42 CA GLU A 3 67.957 -5.635 -7.953 1.00 0.00 C ATOM 43 C GLU A 3 68.492 -6.701 -7.007 1.00 0.00 C ATOM 44 O GLU A 3 69.315 -7.530 -7.394 1.00 0.00 O ATOM 45 CB GLU A 3 67.127 -6.304 -9.056 1.00 0.00 C ATOM 46 CG GLU A 3 66.639 -5.245 -10.059 1.00 0.00 C ATOM 47 CD GLU A 3 67.745 -4.917 -11.059 1.00 0.00 C ATOM 48 OE1 GLU A 3 68.840 -5.427 -10.893 1.00 0.00 O ATOM 49 OE2 GLU A 3 67.475 -4.167 -11.983 1.00 0.00 O ATOM 0 H GLU A 3 69.473 -5.312 -9.376 1.00 0.00 H new ATOM 0 HA GLU A 3 67.331 -4.945 -7.387 1.00 0.00 H new ATOM 0 HB2 GLU A 3 67.727 -7.055 -9.570 1.00 0.00 H new ATOM 0 HB3 GLU A 3 66.274 -6.823 -8.618 1.00 0.00 H new ATOM 0 HG2 GLU A 3 65.759 -5.612 -10.587 1.00 0.00 H new ATOM 0 HG3 GLU A 3 66.339 -4.342 -9.528 1.00 0.00 H new ATOM 56 N PHE A 4 68.008 -6.687 -5.763 1.00 0.00 N ATOM 57 CA PHE A 4 68.444 -7.680 -4.773 1.00 0.00 C ATOM 58 C PHE A 4 67.460 -8.846 -4.753 1.00 0.00 C ATOM 59 O PHE A 4 66.327 -8.707 -4.294 1.00 0.00 O ATOM 60 CB PHE A 4 68.551 -7.030 -3.370 1.00 0.00 C ATOM 61 CG PHE A 4 68.491 -8.071 -2.248 1.00 0.00 C ATOM 62 CD1 PHE A 4 69.308 -9.218 -2.282 1.00 0.00 C ATOM 63 CD2 PHE A 4 67.598 -7.890 -1.172 1.00 0.00 C ATOM 64 CE1 PHE A 4 69.229 -10.167 -1.259 1.00 0.00 C ATOM 65 CE2 PHE A 4 67.533 -8.844 -0.149 1.00 0.00 C ATOM 66 CZ PHE A 4 68.343 -9.982 -0.196 1.00 0.00 C ATOM 0 H PHE A 4 67.325 -6.012 -5.419 1.00 0.00 H new ATOM 0 HA PHE A 4 69.430 -8.054 -5.049 1.00 0.00 H new ATOM 0 HB2 PHE A 4 69.486 -6.474 -3.299 1.00 0.00 H new ATOM 0 HB3 PHE A 4 67.742 -6.311 -3.241 1.00 0.00 H new ATOM 0 HD1 PHE A 4 69.997 -9.364 -3.101 1.00 0.00 H new ATOM 0 HD2 PHE A 4 66.964 -7.016 -1.137 1.00 0.00 H new ATOM 0 HE1 PHE A 4 69.855 -11.046 -1.291 1.00 0.00 H new ATOM 0 HE2 PHE A 4 66.855 -8.700 0.679 1.00 0.00 H new ATOM 0 HZ PHE A 4 68.283 -10.719 0.591 1.00 0.00 H new ATOM 76 N LYS A 5 67.905 -9.994 -5.260 1.00 0.00 N ATOM 77 CA LYS A 5 67.065 -11.192 -5.307 1.00 0.00 C ATOM 78 C LYS A 5 67.522 -12.193 -4.253 1.00 0.00 C ATOM 79 O LYS A 5 68.703 -12.245 -3.908 1.00 0.00 O ATOM 80 CB LYS A 5 67.141 -11.834 -6.698 1.00 0.00 C ATOM 81 CG LYS A 5 66.566 -10.862 -7.731 1.00 0.00 C ATOM 82 CD LYS A 5 66.582 -11.507 -9.119 1.00 0.00 C ATOM 83 CE LYS A 5 65.982 -10.529 -10.130 1.00 0.00 C ATOM 84 NZ LYS A 5 65.982 -11.145 -11.488 1.00 0.00 N ATOM 0 H LYS A 5 68.841 -10.121 -5.644 1.00 0.00 H new ATOM 0 HA LYS A 5 66.034 -10.905 -5.103 1.00 0.00 H new ATOM 0 HB2 LYS A 5 68.175 -12.076 -6.944 1.00 0.00 H new ATOM 0 HB3 LYS A 5 66.583 -12.770 -6.711 1.00 0.00 H new ATOM 0 HG2 LYS A 5 65.546 -10.590 -7.459 1.00 0.00 H new ATOM 0 HG3 LYS A 5 67.150 -9.942 -7.741 1.00 0.00 H new ATOM 0 HD2 LYS A 5 67.603 -11.763 -9.403 1.00 0.00 H new ATOM 0 HD3 LYS A 5 66.011 -12.436 -9.109 1.00 0.00 H new ATOM 0 HE2 LYS A 5 64.964 -10.269 -9.839 1.00 0.00 H new ATOM 0 HE3 LYS A 5 66.557 -9.603 -10.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 65.573 -10.477 -12.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 66.958 -11.372 -11.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 65.415 -12.016 -11.474 1.00 0.00 H new ATOM 98 N LEU A 6 66.587 -12.990 -3.748 1.00 0.00 N ATOM 99 CA LEU A 6 66.944 -13.988 -2.733 1.00 0.00 C ATOM 100 C LEU A 6 67.821 -15.067 -3.403 1.00 0.00 C ATOM 101 O LEU A 6 67.355 -15.745 -4.320 1.00 0.00 O ATOM 102 CB LEU A 6 65.676 -14.640 -2.099 1.00 0.00 C ATOM 103 CG LEU A 6 65.904 -14.921 -0.586 1.00 0.00 C ATOM 104 CD1 LEU A 6 65.505 -13.697 0.249 1.00 0.00 C ATOM 105 CD2 LEU A 6 65.052 -16.115 -0.141 1.00 0.00 C ATOM 0 H LEU A 6 65.602 -12.972 -4.012 1.00 0.00 H new ATOM 0 HA LEU A 6 67.490 -13.498 -1.927 1.00 0.00 H new ATOM 0 HB2 LEU A 6 64.818 -13.980 -2.227 1.00 0.00 H new ATOM 0 HB3 LEU A 6 65.442 -15.570 -2.616 1.00 0.00 H new ATOM 0 HG LEU A 6 66.961 -15.140 -0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 6 65.670 -13.908 1.306 1.00 0.00 H new ATOM 0 HD12 LEU A 6 66.110 -12.841 -0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 6 64.451 -13.472 0.084 1.00 0.00 H new ATOM 0 HD21 LEU A 6 65.218 -16.305 0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 6 63.998 -15.893 -0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 6 65.333 -16.997 -0.716 1.00 0.00 H new ATOM 117 N PRO A 7 69.072 -15.235 -3.011 1.00 0.00 N ATOM 118 CA PRO A 7 69.970 -16.243 -3.654 1.00 0.00 C ATOM 119 C PRO A 7 69.619 -17.681 -3.277 1.00 0.00 C ATOM 120 O PRO A 7 69.152 -17.952 -2.171 1.00 0.00 O ATOM 121 CB PRO A 7 71.366 -15.839 -3.163 1.00 0.00 C ATOM 122 CG PRO A 7 71.131 -15.216 -1.827 1.00 0.00 C ATOM 123 CD PRO A 7 69.767 -14.518 -1.922 1.00 0.00 C ATOM 0 HA PRO A 7 69.883 -16.239 -4.741 1.00 0.00 H new ATOM 0 HB2 PRO A 7 72.025 -16.704 -3.086 1.00 0.00 H new ATOM 0 HB3 PRO A 7 71.840 -15.137 -3.850 1.00 0.00 H new ATOM 0 HG2 PRO A 7 71.130 -15.970 -1.039 1.00 0.00 H new ATOM 0 HG3 PRO A 7 71.919 -14.503 -1.585 1.00 0.00 H new ATOM 0 HD2 PRO A 7 69.217 -14.588 -0.984 1.00 0.00 H new ATOM 0 HD3 PRO A 7 69.877 -13.458 -2.149 1.00 0.00 H new ATOM 131 N ASP A 8 69.843 -18.596 -4.220 1.00 0.00 N ATOM 132 CA ASP A 8 69.547 -20.012 -4.008 1.00 0.00 C ATOM 133 C ASP A 8 70.713 -20.746 -3.338 1.00 0.00 C ATOM 134 O ASP A 8 70.782 -21.973 -3.388 1.00 0.00 O ATOM 135 CB ASP A 8 69.228 -20.674 -5.348 1.00 0.00 C ATOM 136 CG ASP A 8 67.906 -20.139 -5.887 1.00 0.00 C ATOM 137 OD1 ASP A 8 67.203 -19.488 -5.129 1.00 0.00 O ATOM 138 OD2 ASP A 8 67.615 -20.386 -7.045 1.00 0.00 O ATOM 0 H ASP A 8 70.229 -18.381 -5.139 1.00 0.00 H new ATOM 0 HA ASP A 8 68.687 -20.076 -3.342 1.00 0.00 H new ATOM 0 HB2 ASP A 8 70.028 -20.477 -6.061 1.00 0.00 H new ATOM 0 HB3 ASP A 8 69.170 -21.755 -5.225 1.00 0.00 H new ATOM 143 N ILE A 9 71.622 -20.001 -2.714 1.00 0.00 N ATOM 144 CA ILE A 9 72.766 -20.622 -2.044 1.00 0.00 C ATOM 145 C ILE A 9 72.294 -21.421 -0.835 1.00 0.00 C ATOM 146 O ILE A 9 72.978 -22.336 -0.374 1.00 0.00 O ATOM 147 CB ILE A 9 73.780 -19.558 -1.577 1.00 0.00 C ATOM 148 CG1 ILE A 9 74.346 -18.798 -2.783 1.00 0.00 C ATOM 149 CG2 ILE A 9 74.927 -20.258 -0.844 1.00 0.00 C ATOM 150 CD1 ILE A 9 75.158 -17.581 -2.303 1.00 0.00 C ATOM 0 H ILE A 9 71.593 -18.983 -2.657 1.00 0.00 H new ATOM 0 HA ILE A 9 73.253 -21.284 -2.760 1.00 0.00 H new ATOM 0 HB ILE A 9 73.280 -18.851 -0.915 1.00 0.00 H new ATOM 0 HG12 ILE A 9 74.980 -19.458 -3.375 1.00 0.00 H new ATOM 0 HG13 ILE A 9 73.533 -18.471 -3.431 1.00 0.00 H new ATOM 0 HG21 ILE A 9 75.651 -19.516 -0.509 1.00 0.00 H new ATOM 0 HG22 ILE A 9 74.533 -20.796 0.018 1.00 0.00 H new ATOM 0 HG23 ILE A 9 75.415 -20.961 -1.519 1.00 0.00 H new ATOM 0 HD11 ILE A 9 75.557 -17.047 -3.165 1.00 0.00 H new ATOM 0 HD12 ILE A 9 74.512 -16.915 -1.730 1.00 0.00 H new ATOM 0 HD13 ILE A 9 75.981 -17.918 -1.673 1.00 0.00 H new ATOM 162 N GLY A 10 71.129 -21.055 -0.322 1.00 0.00 N ATOM 163 CA GLY A 10 70.569 -21.726 0.844 1.00 0.00 C ATOM 164 C GLY A 10 70.277 -23.196 0.552 1.00 0.00 C ATOM 165 O GLY A 10 70.315 -23.633 -0.599 1.00 0.00 O ATOM 0 H GLY A 10 70.553 -20.299 -0.693 1.00 0.00 H new ATOM 0 HA2 GLY A 10 71.266 -21.650 1.679 1.00 0.00 H new ATOM 0 HA3 GLY A 10 69.651 -21.224 1.149 1.00 0.00 H new ATOM 169 N GLU A 11 69.994 -23.954 1.607 1.00 0.00 N ATOM 170 CA GLU A 11 69.705 -25.378 1.466 1.00 0.00 C ATOM 171 C GLU A 11 68.493 -25.588 0.563 1.00 0.00 C ATOM 172 O GLU A 11 68.464 -26.511 -0.251 1.00 0.00 O ATOM 173 CB GLU A 11 69.430 -25.986 2.844 1.00 0.00 C ATOM 174 CG GLU A 11 69.221 -27.497 2.715 1.00 0.00 C ATOM 175 CD GLU A 11 68.982 -28.108 4.091 1.00 0.00 C ATOM 176 OE1 GLU A 11 68.787 -27.353 5.028 1.00 0.00 O ATOM 177 OE2 GLU A 11 69.000 -29.324 4.187 1.00 0.00 O ATOM 0 H GLU A 11 69.959 -23.608 2.566 1.00 0.00 H new ATOM 0 HA GLU A 11 70.568 -25.868 1.016 1.00 0.00 H new ATOM 0 HB2 GLU A 11 70.265 -25.782 3.514 1.00 0.00 H new ATOM 0 HB3 GLU A 11 68.547 -25.524 3.285 1.00 0.00 H new ATOM 0 HG2 GLU A 11 68.370 -27.701 2.064 1.00 0.00 H new ATOM 0 HG3 GLU A 11 70.094 -27.955 2.251 1.00 0.00 H new ATOM 184 N GLY A 12 67.498 -24.727 0.719 1.00 0.00 N ATOM 185 CA GLY A 12 66.282 -24.817 -0.080 1.00 0.00 C ATOM 186 C GLY A 12 65.377 -23.624 0.196 1.00 0.00 C ATOM 187 O GLY A 12 65.447 -23.018 1.265 1.00 0.00 O ATOM 0 H GLY A 12 67.507 -23.959 1.390 1.00 0.00 H new ATOM 0 HA2 GLY A 12 66.537 -24.851 -1.139 1.00 0.00 H new ATOM 0 HA3 GLY A 12 65.755 -25.743 0.151 1.00 0.00 H new ATOM 191 N VAL A 13 64.531 -23.289 -0.774 1.00 0.00 N ATOM 192 CA VAL A 13 63.612 -22.164 -0.624 1.00 0.00 C ATOM 193 C VAL A 13 62.369 -22.372 -1.486 1.00 0.00 C ATOM 194 O VAL A 13 62.317 -21.943 -2.638 1.00 0.00 O ATOM 195 CB VAL A 13 64.308 -20.850 -1.014 1.00 0.00 C ATOM 196 CG1 VAL A 13 63.288 -19.702 -1.015 1.00 0.00 C ATOM 197 CG2 VAL A 13 65.424 -20.539 -0.004 1.00 0.00 C ATOM 0 H VAL A 13 64.462 -23.777 -1.667 1.00 0.00 H new ATOM 0 HA VAL A 13 63.308 -22.105 0.421 1.00 0.00 H new ATOM 0 HB VAL A 13 64.736 -20.954 -2.011 1.00 0.00 H new ATOM 0 HG11 VAL A 13 63.786 -18.773 -1.292 1.00 0.00 H new ATOM 0 HG12 VAL A 13 62.498 -19.918 -1.734 1.00 0.00 H new ATOM 0 HG13 VAL A 13 62.855 -19.599 -0.020 1.00 0.00 H new ATOM 0 HG21 VAL A 13 65.917 -19.607 -0.282 1.00 0.00 H new ATOM 0 HG22 VAL A 13 64.995 -20.440 0.993 1.00 0.00 H new ATOM 0 HG23 VAL A 13 66.153 -21.349 -0.006 1.00 0.00 H new ATOM 207 N THR A 14 61.366 -23.026 -0.909 1.00 0.00 N ATOM 208 CA THR A 14 60.118 -23.280 -1.618 1.00 0.00 C ATOM 209 C THR A 14 59.410 -21.964 -1.914 1.00 0.00 C ATOM 210 O THR A 14 58.714 -21.833 -2.919 1.00 0.00 O ATOM 211 CB THR A 14 59.205 -24.181 -0.776 1.00 0.00 C ATOM 212 OG1 THR A 14 59.976 -25.232 -0.208 1.00 0.00 O ATOM 213 CG2 THR A 14 58.103 -24.791 -1.652 1.00 0.00 C ATOM 0 H THR A 14 61.393 -23.388 0.044 1.00 0.00 H new ATOM 0 HA THR A 14 60.345 -23.784 -2.557 1.00 0.00 H new ATOM 0 HB THR A 14 58.747 -23.581 0.011 1.00 0.00 H new ATOM 0 HG1 THR A 14 59.396 -25.808 0.332 1.00 0.00 H new ATOM 0 HG21 THR A 14 57.463 -25.428 -1.041 1.00 0.00 H new ATOM 0 HG22 THR A 14 57.506 -23.993 -2.093 1.00 0.00 H new ATOM 0 HG23 THR A 14 58.556 -25.386 -2.445 1.00 0.00 H new ATOM 221 N GLU A 15 59.594 -20.995 -1.020 1.00 0.00 N ATOM 222 CA GLU A 15 58.971 -19.685 -1.183 1.00 0.00 C ATOM 223 C GLU A 15 59.636 -18.669 -0.260 1.00 0.00 C ATOM 224 O GLU A 15 60.209 -19.036 0.767 1.00 0.00 O ATOM 225 CB GLU A 15 57.457 -19.773 -0.913 1.00 0.00 C ATOM 226 CG GLU A 15 57.159 -19.876 0.593 1.00 0.00 C ATOM 227 CD GLU A 15 55.665 -20.077 0.809 1.00 0.00 C ATOM 228 OE1 GLU A 15 54.926 -19.976 -0.157 1.00 0.00 O ATOM 229 OE2 GLU A 15 55.279 -20.326 1.938 1.00 0.00 O ATOM 0 H GLU A 15 60.166 -21.092 -0.181 1.00 0.00 H new ATOM 0 HA GLU A 15 59.109 -19.352 -2.212 1.00 0.00 H new ATOM 0 HB2 GLU A 15 56.961 -18.894 -1.324 1.00 0.00 H new ATOM 0 HB3 GLU A 15 57.044 -20.641 -1.427 1.00 0.00 H new ATOM 0 HG2 GLU A 15 57.714 -20.708 1.027 1.00 0.00 H new ATOM 0 HG3 GLU A 15 57.491 -18.971 1.102 1.00 0.00 H new ATOM 236 N GLY A 16 59.582 -17.394 -0.644 1.00 0.00 N ATOM 237 CA GLY A 16 60.205 -16.334 0.147 1.00 0.00 C ATOM 238 C GLY A 16 59.175 -15.620 1.019 1.00 0.00 C ATOM 239 O GLY A 16 58.315 -14.907 0.502 1.00 0.00 O ATOM 0 H GLY A 16 59.116 -17.072 -1.492 1.00 0.00 H new ATOM 0 HA2 GLY A 16 60.987 -16.758 0.776 1.00 0.00 H new ATOM 0 HA3 GLY A 16 60.685 -15.615 -0.517 1.00 0.00 H new ATOM 243 N GLU A 17 59.268 -15.799 2.344 1.00 0.00 N ATOM 244 CA GLU A 17 58.339 -15.152 3.273 1.00 0.00 C ATOM 245 C GLU A 17 59.099 -14.220 4.209 1.00 0.00 C ATOM 246 O GLU A 17 60.046 -14.628 4.880 1.00 0.00 O ATOM 247 CB GLU A 17 57.594 -16.207 4.092 1.00 0.00 C ATOM 248 CG GLU A 17 56.551 -15.525 4.982 1.00 0.00 C ATOM 249 CD GLU A 17 55.756 -16.578 5.745 1.00 0.00 C ATOM 250 OE1 GLU A 17 55.841 -17.736 5.376 1.00 0.00 O ATOM 251 OE2 GLU A 17 55.077 -16.212 6.690 1.00 0.00 O ATOM 0 H GLU A 17 59.974 -16.383 2.792 1.00 0.00 H new ATOM 0 HA GLU A 17 57.618 -14.571 2.698 1.00 0.00 H new ATOM 0 HB2 GLU A 17 57.108 -16.921 3.427 1.00 0.00 H new ATOM 0 HB3 GLU A 17 58.298 -16.770 4.705 1.00 0.00 H new ATOM 0 HG2 GLU A 17 57.043 -14.849 5.682 1.00 0.00 H new ATOM 0 HG3 GLU A 17 55.880 -14.920 4.373 1.00 0.00 H new ATOM 258 N ILE A 18 58.678 -12.960 4.240 1.00 0.00 N ATOM 259 CA ILE A 18 59.318 -11.948 5.083 1.00 0.00 C ATOM 260 C ILE A 18 58.494 -11.672 6.337 1.00 0.00 C ATOM 261 O ILE A 18 57.340 -11.250 6.252 1.00 0.00 O ATOM 262 CB ILE A 18 59.472 -10.655 4.266 1.00 0.00 C ATOM 263 CG1 ILE A 18 60.524 -10.859 3.158 1.00 0.00 C ATOM 264 CG2 ILE A 18 59.883 -9.485 5.165 1.00 0.00 C ATOM 265 CD1 ILE A 18 61.954 -10.674 3.710 1.00 0.00 C ATOM 0 H ILE A 18 57.893 -12.611 3.690 1.00 0.00 H new ATOM 0 HA ILE A 18 60.294 -12.316 5.400 1.00 0.00 H new ATOM 0 HB ILE A 18 58.509 -10.418 3.814 1.00 0.00 H new ATOM 0 HG12 ILE A 18 60.421 -11.858 2.733 1.00 0.00 H new ATOM 0 HG13 ILE A 18 60.348 -10.149 2.350 1.00 0.00 H new ATOM 0 HG21 ILE A 18 59.985 -8.582 4.563 1.00 0.00 H new ATOM 0 HG22 ILE A 18 59.121 -9.328 5.928 1.00 0.00 H new ATOM 0 HG23 ILE A 18 60.835 -9.711 5.644 1.00 0.00 H new ATOM 0 HD11 ILE A 18 62.676 -10.824 2.907 1.00 0.00 H new ATOM 0 HD12 ILE A 18 62.061 -9.666 4.112 1.00 0.00 H new ATOM 0 HD13 ILE A 18 62.135 -11.401 4.501 1.00 0.00 H new ATOM 277 N VAL A 19 59.100 -11.902 7.506 1.00 0.00 N ATOM 278 CA VAL A 19 58.410 -11.668 8.778 1.00 0.00 C ATOM 279 C VAL A 19 58.949 -10.436 9.510 1.00 0.00 C ATOM 280 O VAL A 19 58.237 -9.849 10.326 1.00 0.00 O ATOM 281 CB VAL A 19 58.568 -12.884 9.688 1.00 0.00 C ATOM 282 CG1 VAL A 19 57.880 -14.095 9.060 1.00 0.00 C ATOM 283 CG2 VAL A 19 60.055 -13.189 9.881 1.00 0.00 C ATOM 0 H VAL A 19 60.056 -12.246 7.598 1.00 0.00 H new ATOM 0 HA VAL A 19 57.359 -11.496 8.544 1.00 0.00 H new ATOM 0 HB VAL A 19 58.110 -12.670 10.654 1.00 0.00 H new ATOM 0 HG11 VAL A 19 57.996 -14.959 9.714 1.00 0.00 H new ATOM 0 HG12 VAL A 19 56.820 -13.882 8.925 1.00 0.00 H new ATOM 0 HG13 VAL A 19 58.333 -14.309 8.092 1.00 0.00 H new ATOM 0 HG21 VAL A 19 60.167 -14.057 10.531 1.00 0.00 H new ATOM 0 HG22 VAL A 19 60.512 -13.398 8.914 1.00 0.00 H new ATOM 0 HG23 VAL A 19 60.547 -12.329 10.336 1.00 0.00 H new ATOM 293 N ARG A 20 60.212 -10.056 9.267 1.00 0.00 N ATOM 294 CA ARG A 20 60.786 -8.903 9.981 1.00 0.00 C ATOM 295 C ARG A 20 61.694 -8.037 9.100 1.00 0.00 C ATOM 296 O ARG A 20 62.631 -8.531 8.472 1.00 0.00 O ATOM 297 CB ARG A 20 61.586 -9.420 11.178 1.00 0.00 C ATOM 298 CG ARG A 20 62.122 -8.250 12.009 1.00 0.00 C ATOM 299 CD ARG A 20 62.876 -8.804 13.221 1.00 0.00 C ATOM 300 NE ARG A 20 63.259 -7.725 14.123 1.00 0.00 N ATOM 301 CZ ARG A 20 64.212 -7.903 15.033 1.00 0.00 C ATOM 302 NH1 ARG A 20 64.804 -9.061 15.136 1.00 0.00 N ATOM 303 NH2 ARG A 20 64.555 -6.924 15.824 1.00 0.00 N ATOM 0 H ARG A 20 60.839 -10.512 8.604 1.00 0.00 H new ATOM 0 HA ARG A 20 59.958 -8.268 10.297 1.00 0.00 H new ATOM 0 HB2 ARG A 20 60.954 -10.055 11.799 1.00 0.00 H new ATOM 0 HB3 ARG A 20 62.415 -10.037 10.830 1.00 0.00 H new ATOM 0 HG2 ARG A 20 62.785 -7.631 11.404 1.00 0.00 H new ATOM 0 HG3 ARG A 20 61.300 -7.613 12.336 1.00 0.00 H new ATOM 0 HD2 ARG A 20 62.249 -9.522 13.749 1.00 0.00 H new ATOM 0 HD3 ARG A 20 63.765 -9.341 12.889 1.00 0.00 H new ATOM 0 HE ARG A 20 62.790 -6.822 14.055 1.00 0.00 H new ATOM 0 HH11 ARG A 20 64.536 -9.828 14.519 1.00 0.00 H new ATOM 0 HH12 ARG A 20 65.535 -9.200 15.833 1.00 0.00 H new ATOM 0 HH21 ARG A 20 64.092 -6.019 15.745 1.00 0.00 H new ATOM 0 HH22 ARG A 20 65.286 -7.064 16.521 1.00 0.00 H new ATOM 317 N TRP A 21 61.439 -6.721 9.123 1.00 0.00 N ATOM 318 CA TRP A 21 62.264 -5.744 8.392 1.00 0.00 C ATOM 319 C TRP A 21 62.995 -4.890 9.437 1.00 0.00 C ATOM 320 O TRP A 21 62.402 -4.529 10.454 1.00 0.00 O ATOM 321 CB TRP A 21 61.401 -4.814 7.509 1.00 0.00 C ATOM 322 CG TRP A 21 61.083 -5.441 6.181 1.00 0.00 C ATOM 323 CD1 TRP A 21 59.837 -5.784 5.780 1.00 0.00 C ATOM 324 CD2 TRP A 21 61.976 -5.766 5.065 1.00 0.00 C ATOM 325 NE1 TRP A 21 59.908 -6.317 4.505 1.00 0.00 N ATOM 326 CE2 TRP A 21 61.200 -6.327 4.022 1.00 0.00 C ATOM 327 CE3 TRP A 21 63.366 -5.640 4.856 1.00 0.00 C ATOM 328 CZ2 TRP A 21 61.780 -6.739 2.818 1.00 0.00 C ATOM 329 CZ3 TRP A 21 63.950 -6.054 3.641 1.00 0.00 C ATOM 330 CH2 TRP A 21 63.157 -6.604 2.627 1.00 0.00 C ATOM 0 H TRP A 21 60.665 -6.306 9.642 1.00 0.00 H new ATOM 0 HA TRP A 21 62.956 -6.277 7.739 1.00 0.00 H new ATOM 0 HB2 TRP A 21 60.474 -4.576 8.030 1.00 0.00 H new ATOM 0 HB3 TRP A 21 61.927 -3.873 7.350 1.00 0.00 H new ATOM 0 HD1 TRP A 21 58.934 -5.662 6.360 1.00 0.00 H new ATOM 0 HE1 TRP A 21 59.101 -6.661 3.984 1.00 0.00 H new ATOM 0 HE3 TRP A 21 63.988 -5.223 5.634 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 61.164 -7.161 2.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 65.014 -5.946 3.492 1.00 0.00 H new ATOM 0 HH2 TRP A 21 63.609 -6.923 1.699 1.00 0.00 H new ATOM 341 N ASP A 22 64.270 -4.567 9.204 1.00 0.00 N ATOM 342 CA ASP A 22 65.037 -3.758 10.168 1.00 0.00 C ATOM 343 C ASP A 22 65.362 -2.368 9.624 1.00 0.00 C ATOM 344 O ASP A 22 66.033 -1.582 10.293 1.00 0.00 O ATOM 345 CB ASP A 22 66.338 -4.469 10.517 1.00 0.00 C ATOM 346 CG ASP A 22 67.082 -4.840 9.239 1.00 0.00 C ATOM 347 OD1 ASP A 22 66.433 -4.973 8.216 1.00 0.00 O ATOM 348 OD2 ASP A 22 68.287 -4.982 9.302 1.00 0.00 O ATOM 0 H ASP A 22 64.790 -4.845 8.372 1.00 0.00 H new ATOM 0 HA ASP A 22 64.416 -3.638 11.056 1.00 0.00 H new ATOM 0 HB2 ASP A 22 66.961 -3.824 11.137 1.00 0.00 H new ATOM 0 HB3 ASP A 22 66.128 -5.366 11.100 1.00 0.00 H new ATOM 353 N VAL A 23 64.894 -2.058 8.417 1.00 0.00 N ATOM 354 CA VAL A 23 65.157 -0.746 7.813 1.00 0.00 C ATOM 355 C VAL A 23 63.889 -0.179 7.182 1.00 0.00 C ATOM 356 O VAL A 23 62.928 -0.907 6.935 1.00 0.00 O ATOM 357 CB VAL A 23 66.264 -0.875 6.760 1.00 0.00 C ATOM 358 CG1 VAL A 23 67.565 -1.328 7.437 1.00 0.00 C ATOM 359 CG2 VAL A 23 65.853 -1.911 5.713 1.00 0.00 C ATOM 0 H VAL A 23 64.336 -2.687 7.840 1.00 0.00 H new ATOM 0 HA VAL A 23 65.484 -0.059 8.594 1.00 0.00 H new ATOM 0 HB VAL A 23 66.420 0.090 6.278 1.00 0.00 H new ATOM 0 HG11 VAL A 23 68.352 -1.420 6.688 1.00 0.00 H new ATOM 0 HG12 VAL A 23 67.860 -0.593 8.186 1.00 0.00 H new ATOM 0 HG13 VAL A 23 67.408 -2.293 7.918 1.00 0.00 H new ATOM 0 HG21 VAL A 23 66.640 -2.003 4.964 1.00 0.00 H new ATOM 0 HG22 VAL A 23 65.698 -2.875 6.197 1.00 0.00 H new ATOM 0 HG23 VAL A 23 64.928 -1.594 5.231 1.00 0.00 H new ATOM 369 N LYS A 24 63.886 1.138 6.951 1.00 0.00 N ATOM 370 CA LYS A 24 62.722 1.820 6.378 1.00 0.00 C ATOM 371 C LYS A 24 63.132 2.724 5.220 1.00 0.00 C ATOM 372 O LYS A 24 64.259 3.209 5.160 1.00 0.00 O ATOM 373 CB LYS A 24 62.046 2.657 7.466 1.00 0.00 C ATOM 374 CG LYS A 24 61.502 1.728 8.551 1.00 0.00 C ATOM 375 CD LYS A 24 60.830 2.560 9.645 1.00 0.00 C ATOM 376 CE LYS A 24 60.274 1.635 10.731 1.00 0.00 C ATOM 377 NZ LYS A 24 59.641 2.455 11.802 1.00 0.00 N ATOM 0 H LYS A 24 64.676 1.752 7.152 1.00 0.00 H new ATOM 0 HA LYS A 24 62.030 1.069 5.996 1.00 0.00 H new ATOM 0 HB2 LYS A 24 62.759 3.360 7.897 1.00 0.00 H new ATOM 0 HB3 LYS A 24 61.236 3.247 7.037 1.00 0.00 H new ATOM 0 HG2 LYS A 24 60.786 1.028 8.120 1.00 0.00 H new ATOM 0 HG3 LYS A 24 62.311 1.135 8.976 1.00 0.00 H new ATOM 0 HD2 LYS A 24 61.549 3.255 10.079 1.00 0.00 H new ATOM 0 HD3 LYS A 24 60.026 3.159 9.217 1.00 0.00 H new ATOM 0 HE2 LYS A 24 59.543 0.950 10.302 1.00 0.00 H new ATOM 0 HE3 LYS A 24 61.074 1.025 11.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 59.263 1.829 12.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 60.351 3.091 12.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 58.867 3.018 11.396 1.00 0.00 H new ATOM 391 N GLU A 25 62.196 2.939 4.304 1.00 0.00 N ATOM 392 CA GLU A 25 62.436 3.782 3.137 1.00 0.00 C ATOM 393 C GLU A 25 62.973 5.154 3.542 1.00 0.00 C ATOM 394 O GLU A 25 62.508 5.747 4.515 1.00 0.00 O ATOM 395 CB GLU A 25 61.115 3.975 2.384 1.00 0.00 C ATOM 396 CG GLU A 25 61.356 4.723 1.067 1.00 0.00 C ATOM 397 CD GLU A 25 61.530 6.218 1.321 1.00 0.00 C ATOM 398 OE1 GLU A 25 60.908 6.721 2.244 1.00 0.00 O ATOM 399 OE2 GLU A 25 62.282 6.838 0.589 1.00 0.00 O ATOM 0 H GLU A 25 61.259 2.539 4.346 1.00 0.00 H new ATOM 0 HA GLU A 25 63.178 3.291 2.507 1.00 0.00 H new ATOM 0 HB2 GLU A 25 60.659 3.006 2.181 1.00 0.00 H new ATOM 0 HB3 GLU A 25 60.414 4.533 3.004 1.00 0.00 H new ATOM 0 HG2 GLU A 25 62.244 4.327 0.575 1.00 0.00 H new ATOM 0 HG3 GLU A 25 60.517 4.559 0.391 1.00 0.00 H new ATOM 406 N GLY A 26 63.925 5.677 2.767 1.00 0.00 N ATOM 407 CA GLY A 26 64.475 7.008 3.039 1.00 0.00 C ATOM 408 C GLY A 26 65.635 6.993 4.034 1.00 0.00 C ATOM 409 O GLY A 26 66.080 8.056 4.469 1.00 0.00 O ATOM 0 H GLY A 26 64.328 5.207 1.956 1.00 0.00 H new ATOM 0 HA2 GLY A 26 64.815 7.451 2.103 1.00 0.00 H new ATOM 0 HA3 GLY A 26 63.682 7.649 3.426 1.00 0.00 H new ATOM 413 N ASP A 27 66.124 5.807 4.403 1.00 0.00 N ATOM 414 CA ASP A 27 67.239 5.707 5.361 1.00 0.00 C ATOM 415 C ASP A 27 68.484 5.135 4.683 1.00 0.00 C ATOM 416 O ASP A 27 68.386 4.345 3.746 1.00 0.00 O ATOM 417 CB ASP A 27 66.838 4.817 6.537 1.00 0.00 C ATOM 418 CG ASP A 27 66.691 3.371 6.078 1.00 0.00 C ATOM 419 OD1 ASP A 27 66.706 3.146 4.880 1.00 0.00 O ATOM 420 OD2 ASP A 27 66.562 2.510 6.934 1.00 0.00 O ATOM 0 H ASP A 27 65.775 4.911 4.062 1.00 0.00 H new ATOM 0 HA ASP A 27 67.470 6.708 5.726 1.00 0.00 H new ATOM 0 HB2 ASP A 27 67.589 4.882 7.324 1.00 0.00 H new ATOM 0 HB3 ASP A 27 65.898 5.168 6.964 1.00 0.00 H new ATOM 425 N MET A 28 69.658 5.540 5.171 1.00 0.00 N ATOM 426 CA MET A 28 70.930 5.065 4.614 1.00 0.00 C ATOM 427 C MET A 28 71.478 3.914 5.453 1.00 0.00 C ATOM 428 O MET A 28 71.247 3.857 6.661 1.00 0.00 O ATOM 429 CB MET A 28 71.950 6.208 4.587 1.00 0.00 C ATOM 430 CG MET A 28 71.488 7.284 3.602 1.00 0.00 C ATOM 431 SD MET A 28 72.729 8.604 3.529 1.00 0.00 S ATOM 432 CE MET A 28 72.431 9.321 5.167 1.00 0.00 C ATOM 0 H MET A 28 69.756 6.193 5.948 1.00 0.00 H new ATOM 0 HA MET A 28 70.754 4.713 3.597 1.00 0.00 H new ATOM 0 HB2 MET A 28 72.059 6.636 5.584 1.00 0.00 H new ATOM 0 HB3 MET A 28 72.929 5.829 4.294 1.00 0.00 H new ATOM 0 HG2 MET A 28 71.344 6.850 2.613 1.00 0.00 H new ATOM 0 HG3 MET A 28 70.526 7.691 3.915 1.00 0.00 H new ATOM 0 HE1 MET A 28 72.773 10.356 5.179 1.00 0.00 H new ATOM 0 HE2 MET A 28 71.364 9.289 5.390 1.00 0.00 H new ATOM 0 HE3 MET A 28 72.976 8.750 5.919 1.00 0.00 H new ATOM 442 N VAL A 29 72.210 2.998 4.813 1.00 0.00 N ATOM 443 CA VAL A 29 72.794 1.856 5.526 1.00 0.00 C ATOM 444 C VAL A 29 74.153 1.477 4.939 1.00 0.00 C ATOM 445 O VAL A 29 74.342 1.489 3.722 1.00 0.00 O ATOM 446 CB VAL A 29 71.846 0.644 5.474 1.00 0.00 C ATOM 447 CG1 VAL A 29 71.874 -0.006 4.084 1.00 0.00 C ATOM 448 CG2 VAL A 29 72.291 -0.387 6.516 1.00 0.00 C ATOM 0 H VAL A 29 72.412 3.022 3.813 1.00 0.00 H new ATOM 0 HA VAL A 29 72.937 2.152 6.565 1.00 0.00 H new ATOM 0 HB VAL A 29 70.832 0.983 5.684 1.00 0.00 H new ATOM 0 HG11 VAL A 29 71.197 -0.860 4.068 1.00 0.00 H new ATOM 0 HG12 VAL A 29 71.558 0.721 3.336 1.00 0.00 H new ATOM 0 HG13 VAL A 29 72.887 -0.341 3.859 1.00 0.00 H new ATOM 0 HG21 VAL A 29 71.623 -1.248 6.484 1.00 0.00 H new ATOM 0 HG22 VAL A 29 73.309 -0.709 6.297 1.00 0.00 H new ATOM 0 HG23 VAL A 29 72.258 0.061 7.509 1.00 0.00 H new ATOM 458 N GLU A 30 75.091 1.136 5.818 1.00 0.00 N ATOM 459 CA GLU A 30 76.438 0.744 5.402 1.00 0.00 C ATOM 460 C GLU A 30 76.474 -0.756 5.103 1.00 0.00 C ATOM 461 O GLU A 30 75.558 -1.482 5.485 1.00 0.00 O ATOM 462 CB GLU A 30 77.421 1.087 6.527 1.00 0.00 C ATOM 463 CG GLU A 30 77.473 2.608 6.695 1.00 0.00 C ATOM 464 CD GLU A 30 78.361 2.977 7.879 1.00 0.00 C ATOM 465 OE1 GLU A 30 78.926 2.073 8.475 1.00 0.00 O ATOM 466 OE2 GLU A 30 78.462 4.155 8.174 1.00 0.00 O ATOM 0 H GLU A 30 74.944 1.123 6.827 1.00 0.00 H new ATOM 0 HA GLU A 30 76.719 1.282 4.497 1.00 0.00 H new ATOM 0 HB2 GLU A 30 77.107 0.616 7.458 1.00 0.00 H new ATOM 0 HB3 GLU A 30 78.412 0.700 6.292 1.00 0.00 H new ATOM 0 HG2 GLU A 30 77.858 3.069 5.785 1.00 0.00 H new ATOM 0 HG3 GLU A 30 76.467 2.999 6.850 1.00 0.00 H new ATOM 473 N LYS A 31 77.519 -1.212 4.405 1.00 0.00 N ATOM 474 CA LYS A 31 77.636 -2.630 4.054 1.00 0.00 C ATOM 475 C LYS A 31 77.632 -3.492 5.312 1.00 0.00 C ATOM 476 O LYS A 31 78.664 -4.008 5.734 1.00 0.00 O ATOM 477 CB LYS A 31 78.925 -2.874 3.261 1.00 0.00 C ATOM 478 CG LYS A 31 78.987 -4.336 2.803 1.00 0.00 C ATOM 479 CD LYS A 31 80.239 -4.556 1.950 1.00 0.00 C ATOM 480 CE LYS A 31 80.300 -6.021 1.513 1.00 0.00 C ATOM 481 NZ LYS A 31 81.497 -6.240 0.653 1.00 0.00 N ATOM 0 H LYS A 31 78.287 -0.628 4.075 1.00 0.00 H new ATOM 0 HA LYS A 31 76.780 -2.904 3.437 1.00 0.00 H new ATOM 0 HB2 LYS A 31 78.961 -2.211 2.396 1.00 0.00 H new ATOM 0 HB3 LYS A 31 79.792 -2.640 3.879 1.00 0.00 H new ATOM 0 HG2 LYS A 31 79.004 -4.998 3.669 1.00 0.00 H new ATOM 0 HG3 LYS A 31 78.095 -4.585 2.228 1.00 0.00 H new ATOM 0 HD2 LYS A 31 80.217 -3.904 1.077 1.00 0.00 H new ATOM 0 HD3 LYS A 31 81.132 -4.297 2.519 1.00 0.00 H new ATOM 0 HE2 LYS A 31 80.345 -6.670 2.388 1.00 0.00 H new ATOM 0 HE3 LYS A 31 79.395 -6.285 0.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 81.535 -7.237 0.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 81.436 -5.632 -0.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 82.357 -6.004 1.188 1.00 0.00 H new ATOM 495 N ASP A 32 76.448 -3.629 5.896 1.00 0.00 N ATOM 496 CA ASP A 32 76.256 -4.416 7.110 1.00 0.00 C ATOM 497 C ASP A 32 74.858 -4.177 7.658 1.00 0.00 C ATOM 498 O ASP A 32 74.675 -3.416 8.609 1.00 0.00 O ATOM 499 CB ASP A 32 77.287 -4.045 8.188 1.00 0.00 C ATOM 500 CG ASP A 32 77.396 -2.530 8.326 1.00 0.00 C ATOM 501 OD1 ASP A 32 76.824 -1.833 7.506 1.00 0.00 O ATOM 502 OD2 ASP A 32 78.051 -2.091 9.257 1.00 0.00 O ATOM 0 H ASP A 32 75.594 -3.198 5.542 1.00 0.00 H new ATOM 0 HA ASP A 32 76.387 -5.467 6.852 1.00 0.00 H new ATOM 0 HB2 ASP A 32 76.997 -4.483 9.143 1.00 0.00 H new ATOM 0 HB3 ASP A 32 78.260 -4.463 7.928 1.00 0.00 H new ATOM 507 N GLN A 33 73.868 -4.821 7.054 1.00 0.00 N ATOM 508 CA GLN A 33 72.493 -4.649 7.500 1.00 0.00 C ATOM 509 C GLN A 33 72.409 -4.768 9.019 1.00 0.00 C ATOM 510 O GLN A 33 73.366 -5.182 9.675 1.00 0.00 O ATOM 511 CB GLN A 33 71.590 -5.694 6.822 1.00 0.00 C ATOM 512 CG GLN A 33 70.180 -5.128 6.587 1.00 0.00 C ATOM 513 CD GLN A 33 70.219 -3.999 5.562 1.00 0.00 C ATOM 514 OE1 GLN A 33 71.075 -3.987 4.677 1.00 0.00 O ATOM 515 NE2 GLN A 33 69.330 -3.046 5.628 1.00 0.00 N ATOM 0 H GLN A 33 73.988 -5.458 6.266 1.00 0.00 H new ATOM 0 HA GLN A 33 72.149 -3.654 7.218 1.00 0.00 H new ATOM 0 HB2 GLN A 33 72.028 -5.997 5.871 1.00 0.00 H new ATOM 0 HB3 GLN A 33 71.529 -6.587 7.444 1.00 0.00 H new ATOM 0 HG2 GLN A 33 69.518 -5.920 6.238 1.00 0.00 H new ATOM 0 HG3 GLN A 33 69.769 -4.759 7.527 1.00 0.00 H new ATOM 0 HE21 GLN A 33 68.622 -3.059 6.362 1.00 0.00 H new ATOM 0 HE22 GLN A 33 69.343 -2.288 4.945 1.00 0.00 H new ATOM 524 N ASP A 34 71.266 -4.386 9.571 1.00 0.00 N ATOM 525 CA ASP A 34 71.068 -4.430 11.019 1.00 0.00 C ATOM 526 C ASP A 34 70.551 -5.787 11.464 1.00 0.00 C ATOM 527 O ASP A 34 70.900 -6.262 12.542 1.00 0.00 O ATOM 528 CB ASP A 34 70.093 -3.329 11.444 1.00 0.00 C ATOM 529 CG ASP A 34 70.770 -1.966 11.329 1.00 0.00 C ATOM 530 OD1 ASP A 34 71.981 -1.942 11.184 1.00 0.00 O ATOM 531 OD2 ASP A 34 70.074 -0.967 11.399 1.00 0.00 O ATOM 0 H ASP A 34 70.463 -4.043 9.044 1.00 0.00 H new ATOM 0 HA ASP A 34 72.032 -4.265 11.500 1.00 0.00 H new ATOM 0 HB2 ASP A 34 69.202 -3.357 10.816 1.00 0.00 H new ATOM 0 HB3 ASP A 34 69.765 -3.497 12.470 1.00 0.00 H new ATOM 536 N LEU A 35 69.732 -6.398 10.620 1.00 0.00 N ATOM 537 CA LEU A 35 69.154 -7.721 10.898 1.00 0.00 C ATOM 538 C LEU A 35 67.902 -7.956 10.046 1.00 0.00 C ATOM 539 O LEU A 35 66.833 -7.419 10.327 1.00 0.00 O ATOM 540 CB LEU A 35 68.791 -7.876 12.408 1.00 0.00 C ATOM 541 CG LEU A 35 69.870 -8.703 13.159 1.00 0.00 C ATOM 542 CD1 LEU A 35 69.901 -8.296 14.635 1.00 0.00 C ATOM 543 CD2 LEU A 35 69.534 -10.198 13.069 1.00 0.00 C ATOM 0 H LEU A 35 69.446 -6.000 9.726 1.00 0.00 H new ATOM 0 HA LEU A 35 69.909 -8.465 10.642 1.00 0.00 H new ATOM 0 HB2 LEU A 35 68.699 -6.891 12.866 1.00 0.00 H new ATOM 0 HB3 LEU A 35 67.821 -8.365 12.504 1.00 0.00 H new ATOM 0 HG LEU A 35 70.840 -8.512 12.701 1.00 0.00 H new ATOM 0 HD11 LEU A 35 70.659 -8.879 15.157 1.00 0.00 H new ATOM 0 HD12 LEU A 35 70.140 -7.235 14.715 1.00 0.00 H new ATOM 0 HD13 LEU A 35 68.926 -8.483 15.085 1.00 0.00 H new ATOM 0 HD21 LEU A 35 70.294 -10.774 13.597 1.00 0.00 H new ATOM 0 HD22 LEU A 35 68.560 -10.380 13.523 1.00 0.00 H new ATOM 0 HD23 LEU A 35 69.510 -10.503 12.023 1.00 0.00 H new ATOM 555 N VAL A 36 68.041 -8.803 9.035 1.00 0.00 N ATOM 556 CA VAL A 36 66.925 -9.168 8.156 1.00 0.00 C ATOM 557 C VAL A 36 66.690 -10.668 8.310 1.00 0.00 C ATOM 558 O VAL A 36 67.636 -11.456 8.277 1.00 0.00 O ATOM 559 CB VAL A 36 67.254 -8.793 6.689 1.00 0.00 C ATOM 560 CG1 VAL A 36 68.767 -8.850 6.486 1.00 0.00 C ATOM 561 CG2 VAL A 36 66.575 -9.770 5.713 1.00 0.00 C ATOM 0 H VAL A 36 68.923 -9.257 8.797 1.00 0.00 H new ATOM 0 HA VAL A 36 66.020 -8.625 8.428 1.00 0.00 H new ATOM 0 HB VAL A 36 66.883 -7.787 6.491 1.00 0.00 H new ATOM 0 HG11 VAL A 36 69.006 -8.587 5.456 1.00 0.00 H new ATOM 0 HG12 VAL A 36 69.252 -8.145 7.162 1.00 0.00 H new ATOM 0 HG13 VAL A 36 69.124 -9.858 6.696 1.00 0.00 H new ATOM 0 HG21 VAL A 36 66.819 -9.489 4.688 1.00 0.00 H new ATOM 0 HG22 VAL A 36 66.930 -10.782 5.906 1.00 0.00 H new ATOM 0 HG23 VAL A 36 65.495 -9.732 5.852 1.00 0.00 H new ATOM 571 N GLU A 37 65.431 -11.056 8.508 1.00 0.00 N ATOM 572 CA GLU A 37 65.093 -12.470 8.699 1.00 0.00 C ATOM 573 C GLU A 37 64.169 -12.975 7.600 1.00 0.00 C ATOM 574 O GLU A 37 63.073 -12.452 7.404 1.00 0.00 O ATOM 575 CB GLU A 37 64.412 -12.646 10.060 1.00 0.00 C ATOM 576 CG GLU A 37 64.108 -14.127 10.309 1.00 0.00 C ATOM 577 CD GLU A 37 63.481 -14.304 11.687 1.00 0.00 C ATOM 578 OE1 GLU A 37 63.537 -13.369 12.468 1.00 0.00 O ATOM 579 OE2 GLU A 37 62.968 -15.380 11.947 1.00 0.00 O ATOM 0 H GLU A 37 64.634 -10.420 8.541 1.00 0.00 H new ATOM 0 HA GLU A 37 66.014 -13.051 8.659 1.00 0.00 H new ATOM 0 HB2 GLU A 37 65.057 -12.261 10.850 1.00 0.00 H new ATOM 0 HB3 GLU A 37 63.489 -12.067 10.091 1.00 0.00 H new ATOM 0 HG2 GLU A 37 63.431 -14.502 9.541 1.00 0.00 H new ATOM 0 HG3 GLU A 37 65.025 -14.712 10.239 1.00 0.00 H new ATOM 586 N VAL A 38 64.613 -14.028 6.916 1.00 0.00 N ATOM 587 CA VAL A 38 63.821 -14.656 5.858 1.00 0.00 C ATOM 588 C VAL A 38 63.707 -16.151 6.149 1.00 0.00 C ATOM 589 O VAL A 38 64.711 -16.824 6.397 1.00 0.00 O ATOM 590 CB VAL A 38 64.480 -14.435 4.477 1.00 0.00 C ATOM 591 CG1 VAL A 38 65.961 -14.816 4.524 1.00 0.00 C ATOM 592 CG2 VAL A 38 63.776 -15.288 3.414 1.00 0.00 C ATOM 0 H VAL A 38 65.520 -14.466 7.076 1.00 0.00 H new ATOM 0 HA VAL A 38 62.829 -14.204 5.835 1.00 0.00 H new ATOM 0 HB VAL A 38 64.388 -13.380 4.220 1.00 0.00 H new ATOM 0 HG11 VAL A 38 66.410 -14.654 3.544 1.00 0.00 H new ATOM 0 HG12 VAL A 38 66.472 -14.199 5.263 1.00 0.00 H new ATOM 0 HG13 VAL A 38 66.058 -15.866 4.799 1.00 0.00 H new ATOM 0 HG21 VAL A 38 64.248 -15.125 2.445 1.00 0.00 H new ATOM 0 HG22 VAL A 38 63.854 -16.341 3.683 1.00 0.00 H new ATOM 0 HG23 VAL A 38 62.725 -15.005 3.358 1.00 0.00 H new ATOM 602 N MET A 39 62.478 -16.662 6.137 1.00 0.00 N ATOM 603 CA MET A 39 62.229 -18.083 6.412 1.00 0.00 C ATOM 604 C MET A 39 61.271 -18.670 5.377 1.00 0.00 C ATOM 605 O MET A 39 60.193 -18.125 5.138 1.00 0.00 O ATOM 606 CB MET A 39 61.634 -18.235 7.819 1.00 0.00 C ATOM 607 CG MET A 39 61.088 -19.656 8.022 1.00 0.00 C ATOM 608 SD MET A 39 59.388 -19.734 7.405 1.00 0.00 S ATOM 609 CE MET A 39 58.579 -19.112 8.902 1.00 0.00 C ATOM 0 H MET A 39 61.638 -16.118 5.941 1.00 0.00 H new ATOM 0 HA MET A 39 63.173 -18.624 6.354 1.00 0.00 H new ATOM 0 HB2 MET A 39 62.397 -18.022 8.568 1.00 0.00 H new ATOM 0 HB3 MET A 39 60.835 -17.508 7.963 1.00 0.00 H new ATOM 0 HG2 MET A 39 61.712 -20.377 7.495 1.00 0.00 H new ATOM 0 HG3 MET A 39 61.117 -19.922 9.079 1.00 0.00 H new ATOM 0 HE1 MET A 39 57.498 -19.192 8.791 1.00 0.00 H new ATOM 0 HE2 MET A 39 58.900 -19.701 9.761 1.00 0.00 H new ATOM 0 HE3 MET A 39 58.852 -18.068 9.056 1.00 0.00 H new ATOM 619 N THR A 40 61.673 -19.779 4.766 1.00 0.00 N ATOM 620 CA THR A 40 60.833 -20.422 3.758 1.00 0.00 C ATOM 621 C THR A 40 59.606 -21.063 4.404 1.00 0.00 C ATOM 622 O THR A 40 58.487 -20.915 3.911 1.00 0.00 O ATOM 623 CB THR A 40 61.631 -21.492 2.986 1.00 0.00 C ATOM 624 OG1 THR A 40 60.796 -22.613 2.722 1.00 0.00 O ATOM 625 CG2 THR A 40 62.841 -21.950 3.804 1.00 0.00 C ATOM 0 H THR A 40 62.561 -20.247 4.946 1.00 0.00 H new ATOM 0 HA THR A 40 60.503 -19.653 3.059 1.00 0.00 H new ATOM 0 HB THR A 40 61.978 -21.058 2.048 1.00 0.00 H new ATOM 0 HG1 THR A 40 61.305 -23.291 2.230 1.00 0.00 H new ATOM 0 HG21 THR A 40 63.393 -22.705 3.245 1.00 0.00 H new ATOM 0 HG22 THR A 40 63.491 -21.097 4.001 1.00 0.00 H new ATOM 0 HG23 THR A 40 62.502 -22.374 4.749 1.00 0.00 H new ATOM 633 N ASP A 41 59.818 -21.790 5.499 1.00 0.00 N ATOM 634 CA ASP A 41 58.704 -22.460 6.186 1.00 0.00 C ATOM 635 C ASP A 41 58.991 -22.641 7.677 1.00 0.00 C ATOM 636 O ASP A 41 58.200 -22.222 8.521 1.00 0.00 O ATOM 637 CB ASP A 41 58.456 -23.828 5.543 1.00 0.00 C ATOM 638 CG ASP A 41 59.756 -24.622 5.464 1.00 0.00 C ATOM 639 OD1 ASP A 41 60.799 -24.045 5.722 1.00 0.00 O ATOM 640 OD2 ASP A 41 59.691 -25.793 5.131 1.00 0.00 O ATOM 0 H ASP A 41 60.733 -21.932 5.928 1.00 0.00 H new ATOM 0 HA ASP A 41 57.819 -21.832 6.086 1.00 0.00 H new ATOM 0 HB2 ASP A 41 57.719 -24.382 6.124 1.00 0.00 H new ATOM 0 HB3 ASP A 41 58.041 -23.697 4.544 1.00 0.00 H new ATOM 645 N LYS A 42 60.121 -23.271 7.996 1.00 0.00 N ATOM 646 CA LYS A 42 60.496 -23.509 9.394 1.00 0.00 C ATOM 647 C LYS A 42 62.009 -23.432 9.579 1.00 0.00 C ATOM 648 O LYS A 42 62.596 -24.246 10.294 1.00 0.00 O ATOM 649 CB LYS A 42 59.998 -24.892 9.824 1.00 0.00 C ATOM 650 CG LYS A 42 60.579 -25.946 8.881 1.00 0.00 C ATOM 651 CD LYS A 42 60.026 -27.323 9.250 1.00 0.00 C ATOM 652 CE LYS A 42 60.610 -28.377 8.306 1.00 0.00 C ATOM 653 NZ LYS A 42 60.076 -29.719 8.671 1.00 0.00 N ATOM 0 H LYS A 42 60.790 -23.625 7.312 1.00 0.00 H new ATOM 0 HA LYS A 42 60.037 -22.737 10.011 1.00 0.00 H new ATOM 0 HB2 LYS A 42 60.300 -25.098 10.851 1.00 0.00 H new ATOM 0 HB3 LYS A 42 58.909 -24.924 9.799 1.00 0.00 H new ATOM 0 HG2 LYS A 42 60.325 -25.705 7.849 1.00 0.00 H new ATOM 0 HG3 LYS A 42 61.667 -25.949 8.949 1.00 0.00 H new ATOM 0 HD2 LYS A 42 60.279 -27.564 10.282 1.00 0.00 H new ATOM 0 HD3 LYS A 42 58.938 -27.320 9.181 1.00 0.00 H new ATOM 0 HE2 LYS A 42 60.352 -28.139 7.274 1.00 0.00 H new ATOM 0 HE3 LYS A 42 61.698 -28.376 8.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 60.472 -30.436 8.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 60.343 -29.944 9.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 59.039 -29.715 8.587 1.00 0.00 H new ATOM 667 N VAL A 43 62.636 -22.447 8.936 1.00 0.00 N ATOM 668 CA VAL A 43 64.085 -22.265 9.034 1.00 0.00 C ATOM 669 C VAL A 43 64.420 -20.785 9.184 1.00 0.00 C ATOM 670 O VAL A 43 63.833 -19.936 8.512 1.00 0.00 O ATOM 671 CB VAL A 43 64.766 -22.820 7.785 1.00 0.00 C ATOM 672 CG1 VAL A 43 66.283 -22.702 7.932 1.00 0.00 C ATOM 673 CG2 VAL A 43 64.372 -24.285 7.604 1.00 0.00 C ATOM 0 H VAL A 43 62.165 -21.764 8.343 1.00 0.00 H new ATOM 0 HA VAL A 43 64.446 -22.803 9.910 1.00 0.00 H new ATOM 0 HB VAL A 43 64.449 -22.251 6.911 1.00 0.00 H new ATOM 0 HG11 VAL A 43 66.767 -23.099 7.040 1.00 0.00 H new ATOM 0 HG12 VAL A 43 66.556 -21.654 8.058 1.00 0.00 H new ATOM 0 HG13 VAL A 43 66.609 -23.269 8.804 1.00 0.00 H new ATOM 0 HG21 VAL A 43 64.856 -24.685 6.713 1.00 0.00 H new ATOM 0 HG22 VAL A 43 64.688 -24.857 8.476 1.00 0.00 H new ATOM 0 HG23 VAL A 43 63.290 -24.360 7.493 1.00 0.00 H new ATOM 683 N THR A 44 65.366 -20.477 10.067 1.00 0.00 N ATOM 684 CA THR A 44 65.775 -19.082 10.294 1.00 0.00 C ATOM 685 C THR A 44 67.110 -18.809 9.604 1.00 0.00 C ATOM 686 O THR A 44 68.120 -19.440 9.915 1.00 0.00 O ATOM 687 CB THR A 44 65.923 -18.810 11.799 1.00 0.00 C ATOM 688 OG1 THR A 44 64.834 -19.395 12.500 1.00 0.00 O ATOM 689 CG2 THR A 44 65.929 -17.300 12.063 1.00 0.00 C ATOM 0 H THR A 44 65.863 -21.163 10.635 1.00 0.00 H new ATOM 0 HA THR A 44 65.009 -18.426 9.881 1.00 0.00 H new ATOM 0 HB THR A 44 66.862 -19.244 12.142 1.00 0.00 H new ATOM 0 HG1 THR A 44 64.932 -19.222 13.460 1.00 0.00 H new ATOM 0 HG21 THR A 44 66.034 -17.118 13.133 1.00 0.00 H new ATOM 0 HG22 THR A 44 66.764 -16.841 11.533 1.00 0.00 H new ATOM 0 HG23 THR A 44 64.993 -16.865 11.711 1.00 0.00 H new ATOM 697 N VAL A 45 67.111 -17.864 8.664 1.00 0.00 N ATOM 698 CA VAL A 45 68.335 -17.512 7.926 1.00 0.00 C ATOM 699 C VAL A 45 68.626 -16.012 8.041 1.00 0.00 C ATOM 700 O VAL A 45 67.830 -15.185 7.598 1.00 0.00 O ATOM 701 CB VAL A 45 68.158 -17.886 6.440 1.00 0.00 C ATOM 702 CG1 VAL A 45 69.519 -18.114 5.769 1.00 0.00 C ATOM 703 CG2 VAL A 45 67.326 -19.162 6.336 1.00 0.00 C ATOM 0 H VAL A 45 66.286 -17.329 8.393 1.00 0.00 H new ATOM 0 HA VAL A 45 69.172 -18.063 8.354 1.00 0.00 H new ATOM 0 HB VAL A 45 67.652 -17.064 5.933 1.00 0.00 H new ATOM 0 HG11 VAL A 45 69.369 -18.377 4.722 1.00 0.00 H new ATOM 0 HG12 VAL A 45 70.113 -17.203 5.833 1.00 0.00 H new ATOM 0 HG13 VAL A 45 70.043 -18.925 6.275 1.00 0.00 H new ATOM 0 HG21 VAL A 45 67.199 -19.429 5.287 1.00 0.00 H new ATOM 0 HG22 VAL A 45 67.836 -19.972 6.858 1.00 0.00 H new ATOM 0 HG23 VAL A 45 66.349 -18.997 6.789 1.00 0.00 H new ATOM 713 N LYS A 46 69.781 -15.666 8.617 1.00 0.00 N ATOM 714 CA LYS A 46 70.172 -14.261 8.759 1.00 0.00 C ATOM 715 C LYS A 46 71.137 -13.879 7.639 1.00 0.00 C ATOM 716 O LYS A 46 72.255 -14.392 7.573 1.00 0.00 O ATOM 717 CB LYS A 46 70.862 -14.031 10.106 1.00 0.00 C ATOM 718 CG LYS A 46 69.858 -14.215 11.247 1.00 0.00 C ATOM 719 CD LYS A 46 70.578 -14.029 12.585 1.00 0.00 C ATOM 720 CE LYS A 46 69.605 -14.283 13.739 1.00 0.00 C ATOM 721 NZ LYS A 46 68.566 -13.214 13.765 1.00 0.00 N ATOM 0 H LYS A 46 70.456 -16.333 8.990 1.00 0.00 H new ATOM 0 HA LYS A 46 69.274 -13.646 8.704 1.00 0.00 H new ATOM 0 HB2 LYS A 46 71.690 -14.730 10.223 1.00 0.00 H new ATOM 0 HB3 LYS A 46 71.284 -13.027 10.141 1.00 0.00 H new ATOM 0 HG2 LYS A 46 69.047 -13.493 11.153 1.00 0.00 H new ATOM 0 HG3 LYS A 46 69.409 -15.207 11.196 1.00 0.00 H new ATOM 0 HD2 LYS A 46 71.423 -14.715 12.652 1.00 0.00 H new ATOM 0 HD3 LYS A 46 70.982 -13.019 12.654 1.00 0.00 H new ATOM 0 HE2 LYS A 46 69.134 -15.259 13.622 1.00 0.00 H new ATOM 0 HE3 LYS A 46 70.145 -14.302 14.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 68.733 -12.587 14.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 68.614 -12.661 12.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 67.624 -13.647 13.850 1.00 0.00 H new ATOM 735 N ILE A 47 70.694 -13.000 6.742 1.00 0.00 N ATOM 736 CA ILE A 47 71.520 -12.580 5.600 1.00 0.00 C ATOM 737 C ILE A 47 71.576 -11.041 5.468 1.00 0.00 C ATOM 738 O ILE A 47 70.579 -10.428 5.092 1.00 0.00 O ATOM 739 CB ILE A 47 70.921 -13.153 4.312 1.00 0.00 C ATOM 740 CG1 ILE A 47 70.641 -14.655 4.485 1.00 0.00 C ATOM 741 CG2 ILE A 47 71.910 -12.954 3.164 1.00 0.00 C ATOM 742 CD1 ILE A 47 69.818 -15.166 3.300 1.00 0.00 C ATOM 0 H ILE A 47 69.773 -12.564 6.779 1.00 0.00 H new ATOM 0 HA ILE A 47 72.532 -12.951 5.765 1.00 0.00 H new ATOM 0 HB ILE A 47 69.986 -12.637 4.091 1.00 0.00 H new ATOM 0 HG12 ILE A 47 71.580 -15.204 4.552 1.00 0.00 H new ATOM 0 HG13 ILE A 47 70.102 -14.829 5.416 1.00 0.00 H new ATOM 0 HG21 ILE A 47 71.487 -13.361 2.245 1.00 0.00 H new ATOM 0 HG22 ILE A 47 72.106 -11.890 3.033 1.00 0.00 H new ATOM 0 HG23 ILE A 47 72.843 -13.470 3.394 1.00 0.00 H new ATOM 0 HD11 ILE A 47 69.621 -16.231 3.426 1.00 0.00 H new ATOM 0 HD12 ILE A 47 68.873 -14.625 3.253 1.00 0.00 H new ATOM 0 HD13 ILE A 47 70.373 -15.006 2.376 1.00 0.00 H new ATOM 754 N PRO A 48 72.706 -10.404 5.741 1.00 0.00 N ATOM 755 CA PRO A 48 72.839 -8.915 5.616 1.00 0.00 C ATOM 756 C PRO A 48 73.076 -8.484 4.157 1.00 0.00 C ATOM 757 O PRO A 48 73.696 -9.214 3.384 1.00 0.00 O ATOM 758 CB PRO A 48 74.054 -8.604 6.503 1.00 0.00 C ATOM 759 CG PRO A 48 74.919 -9.821 6.412 1.00 0.00 C ATOM 760 CD PRO A 48 73.976 -11.015 6.183 1.00 0.00 C ATOM 0 HA PRO A 48 71.939 -8.379 5.917 1.00 0.00 H new ATOM 0 HB2 PRO A 48 74.582 -7.717 6.153 1.00 0.00 H new ATOM 0 HB3 PRO A 48 73.752 -8.410 7.532 1.00 0.00 H new ATOM 0 HG2 PRO A 48 75.633 -9.729 5.593 1.00 0.00 H new ATOM 0 HG3 PRO A 48 75.498 -9.954 7.326 1.00 0.00 H new ATOM 0 HD2 PRO A 48 74.373 -11.695 5.429 1.00 0.00 H new ATOM 0 HD3 PRO A 48 73.841 -11.595 7.096 1.00 0.00 H new ATOM 768 N SER A 49 72.573 -7.301 3.787 1.00 0.00 N ATOM 769 CA SER A 49 72.729 -6.796 2.423 1.00 0.00 C ATOM 770 C SER A 49 74.218 -6.680 2.039 1.00 0.00 C ATOM 771 O SER A 49 74.963 -5.953 2.696 1.00 0.00 O ATOM 772 CB SER A 49 72.087 -5.412 2.309 1.00 0.00 C ATOM 773 OG SER A 49 71.890 -5.102 0.937 1.00 0.00 O ATOM 0 H SER A 49 72.058 -6.680 4.411 1.00 0.00 H new ATOM 0 HA SER A 49 72.242 -7.500 1.748 1.00 0.00 H new ATOM 0 HB2 SER A 49 71.135 -5.395 2.839 1.00 0.00 H new ATOM 0 HB3 SER A 49 72.725 -4.662 2.776 1.00 0.00 H new ATOM 0 HG SER A 49 71.477 -4.217 0.858 1.00 0.00 H new ATOM 779 N PRO A 50 74.676 -7.363 1.005 1.00 0.00 N ATOM 780 CA PRO A 50 76.111 -7.292 0.576 1.00 0.00 C ATOM 781 C PRO A 50 76.484 -5.996 -0.175 1.00 0.00 C ATOM 782 O PRO A 50 77.646 -5.809 -0.531 1.00 0.00 O ATOM 783 CB PRO A 50 76.268 -8.525 -0.332 1.00 0.00 C ATOM 784 CG PRO A 50 74.913 -8.749 -0.921 1.00 0.00 C ATOM 785 CD PRO A 50 73.903 -8.289 0.135 1.00 0.00 C ATOM 0 HA PRO A 50 76.779 -7.282 1.437 1.00 0.00 H new ATOM 0 HB2 PRO A 50 77.012 -8.350 -1.109 1.00 0.00 H new ATOM 0 HB3 PRO A 50 76.599 -9.394 0.237 1.00 0.00 H new ATOM 0 HG2 PRO A 50 74.793 -8.184 -1.846 1.00 0.00 H new ATOM 0 HG3 PRO A 50 74.765 -9.800 -1.168 1.00 0.00 H new ATOM 0 HD2 PRO A 50 73.051 -7.787 -0.322 1.00 0.00 H new ATOM 0 HD3 PRO A 50 73.509 -9.132 0.703 1.00 0.00 H new ATOM 793 N VAL A 51 75.510 -5.110 -0.424 1.00 0.00 N ATOM 794 CA VAL A 51 75.789 -3.852 -1.145 1.00 0.00 C ATOM 795 C VAL A 51 75.126 -2.657 -0.441 1.00 0.00 C ATOM 796 O VAL A 51 73.921 -2.667 -0.193 1.00 0.00 O ATOM 797 CB VAL A 51 75.273 -3.965 -2.592 1.00 0.00 C ATOM 798 CG1 VAL A 51 75.937 -2.907 -3.483 1.00 0.00 C ATOM 799 CG2 VAL A 51 75.597 -5.364 -3.135 1.00 0.00 C ATOM 0 H VAL A 51 74.537 -5.233 -0.144 1.00 0.00 H new ATOM 0 HA VAL A 51 76.866 -3.685 -1.153 1.00 0.00 H new ATOM 0 HB VAL A 51 74.195 -3.802 -2.597 1.00 0.00 H new ATOM 0 HG11 VAL A 51 75.561 -3.001 -4.502 1.00 0.00 H new ATOM 0 HG12 VAL A 51 75.706 -1.913 -3.101 1.00 0.00 H new ATOM 0 HG13 VAL A 51 77.017 -3.054 -3.480 1.00 0.00 H new ATOM 0 HG21 VAL A 51 75.234 -5.450 -4.159 1.00 0.00 H new ATOM 0 HG22 VAL A 51 76.676 -5.520 -3.118 1.00 0.00 H new ATOM 0 HG23 VAL A 51 75.112 -6.117 -2.514 1.00 0.00 H new ATOM 809 N ARG A 52 75.924 -1.629 -0.111 1.00 0.00 N ATOM 810 CA ARG A 52 75.408 -0.438 0.570 1.00 0.00 C ATOM 811 C ARG A 52 75.115 0.683 -0.430 1.00 0.00 C ATOM 812 O ARG A 52 75.728 0.749 -1.496 1.00 0.00 O ATOM 813 CB ARG A 52 76.447 0.028 1.597 1.00 0.00 C ATOM 814 CG ARG A 52 77.746 0.431 0.889 1.00 0.00 C ATOM 815 CD ARG A 52 78.760 0.911 1.931 1.00 0.00 C ATOM 816 NE ARG A 52 79.981 1.363 1.277 1.00 0.00 N ATOM 817 CZ ARG A 52 81.008 1.825 1.984 1.00 0.00 C ATOM 818 NH1 ARG A 52 80.942 1.858 3.287 1.00 0.00 N ATOM 819 NH2 ARG A 52 82.082 2.247 1.375 1.00 0.00 N ATOM 0 H ARG A 52 76.925 -1.601 -0.305 1.00 0.00 H new ATOM 0 HA ARG A 52 74.472 -0.688 1.070 1.00 0.00 H new ATOM 0 HB2 ARG A 52 76.056 0.873 2.164 1.00 0.00 H new ATOM 0 HB3 ARG A 52 76.646 -0.770 2.312 1.00 0.00 H new ATOM 0 HG2 ARG A 52 78.150 -0.416 0.335 1.00 0.00 H new ATOM 0 HG3 ARG A 52 77.549 1.221 0.165 1.00 0.00 H new ATOM 0 HD2 ARG A 52 78.332 1.723 2.518 1.00 0.00 H new ATOM 0 HD3 ARG A 52 78.989 0.102 2.625 1.00 0.00 H new ATOM 0 HE ARG A 52 80.049 1.324 0.260 1.00 0.00 H new ATOM 0 HH11 ARG A 52 80.102 1.529 3.764 1.00 0.00 H new ATOM 0 HH12 ARG A 52 81.730 2.213 3.829 1.00 0.00 H new ATOM 0 HH21 ARG A 52 82.134 2.223 0.357 1.00 0.00 H new ATOM 0 HH22 ARG A 52 82.870 2.601 1.917 1.00 0.00 H new ATOM 833 N GLY A 53 74.182 1.570 -0.084 1.00 0.00 N ATOM 834 CA GLY A 53 73.844 2.679 -0.973 1.00 0.00 C ATOM 835 C GLY A 53 72.637 3.464 -0.460 1.00 0.00 C ATOM 836 O GLY A 53 72.600 3.867 0.702 1.00 0.00 O ATOM 0 H GLY A 53 73.656 1.544 0.789 1.00 0.00 H new ATOM 0 HA2 GLY A 53 74.701 3.347 -1.065 1.00 0.00 H new ATOM 0 HA3 GLY A 53 73.631 2.295 -1.971 1.00 0.00 H new ATOM 840 N LYS A 54 71.649 3.688 -1.339 1.00 0.00 N ATOM 841 CA LYS A 54 70.441 4.439 -0.971 1.00 0.00 C ATOM 842 C LYS A 54 69.187 3.631 -1.309 1.00 0.00 C ATOM 843 O LYS A 54 69.074 3.074 -2.399 1.00 0.00 O ATOM 844 CB LYS A 54 70.407 5.767 -1.742 1.00 0.00 C ATOM 845 CG LYS A 54 69.312 6.668 -1.168 1.00 0.00 C ATOM 846 CD LYS A 54 69.354 8.029 -1.863 1.00 0.00 C ATOM 847 CE LYS A 54 68.271 8.937 -1.278 1.00 0.00 C ATOM 848 NZ LYS A 54 68.349 10.280 -1.916 1.00 0.00 N ATOM 0 H LYS A 54 71.663 3.361 -2.305 1.00 0.00 H new ATOM 0 HA LYS A 54 70.463 4.632 0.102 1.00 0.00 H new ATOM 0 HB2 LYS A 54 71.374 6.264 -1.672 1.00 0.00 H new ATOM 0 HB3 LYS A 54 70.220 5.580 -2.800 1.00 0.00 H new ATOM 0 HG2 LYS A 54 68.335 6.206 -1.309 1.00 0.00 H new ATOM 0 HG3 LYS A 54 69.454 6.792 -0.094 1.00 0.00 H new ATOM 0 HD2 LYS A 54 70.335 8.485 -1.732 1.00 0.00 H new ATOM 0 HD3 LYS A 54 69.200 7.906 -2.935 1.00 0.00 H new ATOM 0 HE2 LYS A 54 67.286 8.500 -1.445 1.00 0.00 H new ATOM 0 HE3 LYS A 54 68.401 9.027 -0.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 67.612 10.897 -1.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 69.285 10.697 -1.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 68.205 10.186 -2.942 1.00 0.00 H new ATOM 862 N ILE A 55 68.246 3.570 -0.366 1.00 0.00 N ATOM 863 CA ILE A 55 67.005 2.826 -0.583 1.00 0.00 C ATOM 864 C ILE A 55 65.977 3.731 -1.274 1.00 0.00 C ATOM 865 O ILE A 55 65.668 4.816 -0.781 1.00 0.00 O ATOM 866 CB ILE A 55 66.458 2.346 0.772 1.00 0.00 C ATOM 867 CG1 ILE A 55 67.621 1.879 1.661 1.00 0.00 C ATOM 868 CG2 ILE A 55 65.485 1.182 0.567 1.00 0.00 C ATOM 869 CD1 ILE A 55 68.459 0.820 0.937 1.00 0.00 C ATOM 0 H ILE A 55 68.318 4.021 0.546 1.00 0.00 H new ATOM 0 HA ILE A 55 67.200 1.962 -1.219 1.00 0.00 H new ATOM 0 HB ILE A 55 65.934 3.173 1.252 1.00 0.00 H new ATOM 0 HG12 ILE A 55 68.249 2.730 1.925 1.00 0.00 H new ATOM 0 HG13 ILE A 55 67.232 1.469 2.593 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.105 0.851 1.533 1.00 0.00 H new ATOM 0 HG22 ILE A 55 64.654 1.508 -0.058 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.003 0.356 0.079 1.00 0.00 H new ATOM 0 HD11 ILE A 55 69.278 0.501 1.582 1.00 0.00 H new ATOM 0 HD12 ILE A 55 67.832 -0.038 0.696 1.00 0.00 H new ATOM 0 HD13 ILE A 55 68.864 1.243 0.018 1.00 0.00 H new ATOM 881 N VAL A 56 65.470 3.295 -2.430 1.00 0.00 N ATOM 882 CA VAL A 56 64.498 4.102 -3.182 1.00 0.00 C ATOM 883 C VAL A 56 63.075 3.914 -2.650 1.00 0.00 C ATOM 884 O VAL A 56 62.384 4.892 -2.364 1.00 0.00 O ATOM 885 CB VAL A 56 64.556 3.731 -4.682 1.00 0.00 C ATOM 886 CG1 VAL A 56 63.301 4.232 -5.417 1.00 0.00 C ATOM 887 CG2 VAL A 56 65.785 4.385 -5.322 1.00 0.00 C ATOM 0 H VAL A 56 65.710 2.403 -2.863 1.00 0.00 H new ATOM 0 HA VAL A 56 64.764 5.151 -3.054 1.00 0.00 H new ATOM 0 HB VAL A 56 64.612 2.646 -4.764 1.00 0.00 H new ATOM 0 HG11 VAL A 56 63.363 3.960 -6.471 1.00 0.00 H new ATOM 0 HG12 VAL A 56 62.415 3.776 -4.976 1.00 0.00 H new ATOM 0 HG13 VAL A 56 63.234 5.316 -5.326 1.00 0.00 H new ATOM 0 HG21 VAL A 56 65.827 4.124 -6.379 1.00 0.00 H new ATOM 0 HG22 VAL A 56 65.717 5.468 -5.218 1.00 0.00 H new ATOM 0 HG23 VAL A 56 66.687 4.029 -4.825 1.00 0.00 H new ATOM 897 N LYS A 57 62.632 2.665 -2.535 1.00 0.00 N ATOM 898 CA LYS A 57 61.278 2.400 -2.058 1.00 0.00 C ATOM 899 C LYS A 57 61.126 0.942 -1.644 1.00 0.00 C ATOM 900 O LYS A 57 61.899 0.085 -2.065 1.00 0.00 O ATOM 901 CB LYS A 57 60.269 2.741 -3.162 1.00 0.00 C ATOM 902 CG LYS A 57 58.840 2.620 -2.624 1.00 0.00 C ATOM 903 CD LYS A 57 57.854 3.111 -3.686 1.00 0.00 C ATOM 904 CE LYS A 57 56.428 3.020 -3.140 1.00 0.00 C ATOM 905 NZ LYS A 57 56.110 1.598 -2.823 1.00 0.00 N ATOM 0 H LYS A 57 63.179 1.834 -2.761 1.00 0.00 H new ATOM 0 HA LYS A 57 61.086 3.024 -1.185 1.00 0.00 H new ATOM 0 HB2 LYS A 57 60.444 3.753 -3.526 1.00 0.00 H new ATOM 0 HB3 LYS A 57 60.405 2.070 -4.010 1.00 0.00 H new ATOM 0 HG2 LYS A 57 58.624 1.584 -2.363 1.00 0.00 H new ATOM 0 HG3 LYS A 57 58.732 3.207 -1.712 1.00 0.00 H new ATOM 0 HD2 LYS A 57 58.084 4.140 -3.963 1.00 0.00 H new ATOM 0 HD3 LYS A 57 57.948 2.509 -4.590 1.00 0.00 H new ATOM 0 HE2 LYS A 57 56.329 3.635 -2.245 1.00 0.00 H new ATOM 0 HE3 LYS A 57 55.721 3.408 -3.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 55.078 1.474 -2.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 56.503 0.981 -3.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 56.527 1.346 -1.904 1.00 0.00 H new ATOM 919 N ILE A 58 60.125 0.669 -0.809 1.00 0.00 N ATOM 920 CA ILE A 58 59.878 -0.687 -0.332 1.00 0.00 C ATOM 921 C ILE A 58 58.898 -1.410 -1.258 1.00 0.00 C ATOM 922 O ILE A 58 57.734 -1.032 -1.376 1.00 0.00 O ATOM 923 CB ILE A 58 59.343 -0.618 1.114 1.00 0.00 C ATOM 924 CG1 ILE A 58 59.604 -1.953 1.819 1.00 0.00 C ATOM 925 CG2 ILE A 58 57.844 -0.296 1.129 1.00 0.00 C ATOM 926 CD1 ILE A 58 58.849 -2.015 3.154 1.00 0.00 C ATOM 0 H ILE A 58 59.474 1.368 -0.451 1.00 0.00 H new ATOM 0 HA ILE A 58 60.807 -1.257 -0.337 1.00 0.00 H new ATOM 0 HB ILE A 58 59.864 0.181 1.642 1.00 0.00 H new ATOM 0 HG12 ILE A 58 59.289 -2.777 1.178 1.00 0.00 H new ATOM 0 HG13 ILE A 58 60.673 -2.076 1.993 1.00 0.00 H new ATOM 0 HG21 ILE A 58 57.491 -0.253 2.159 1.00 0.00 H new ATOM 0 HG22 ILE A 58 57.674 0.667 0.647 1.00 0.00 H new ATOM 0 HG23 ILE A 58 57.300 -1.072 0.591 1.00 0.00 H new ATOM 0 HD11 ILE A 58 59.047 -2.970 3.640 1.00 0.00 H new ATOM 0 HD12 ILE A 58 59.184 -1.203 3.800 1.00 0.00 H new ATOM 0 HD13 ILE A 58 57.779 -1.915 2.972 1.00 0.00 H new ATOM 938 N LEU A 59 59.387 -2.456 -1.926 1.00 0.00 N ATOM 939 CA LEU A 59 58.543 -3.224 -2.849 1.00 0.00 C ATOM 940 C LEU A 59 57.861 -4.388 -2.129 1.00 0.00 C ATOM 941 O LEU A 59 56.807 -4.858 -2.557 1.00 0.00 O ATOM 942 CB LEU A 59 59.384 -3.753 -4.016 1.00 0.00 C ATOM 943 CG LEU A 59 59.893 -2.579 -4.868 1.00 0.00 C ATOM 944 CD1 LEU A 59 60.912 -3.104 -5.889 1.00 0.00 C ATOM 945 CD2 LEU A 59 58.721 -1.897 -5.610 1.00 0.00 C ATOM 0 H LEU A 59 60.348 -2.789 -1.849 1.00 0.00 H new ATOM 0 HA LEU A 59 57.770 -2.559 -3.235 1.00 0.00 H new ATOM 0 HB2 LEU A 59 60.227 -4.330 -3.636 1.00 0.00 H new ATOM 0 HB3 LEU A 59 58.787 -4.427 -4.630 1.00 0.00 H new ATOM 0 HG LEU A 59 60.363 -1.844 -4.215 1.00 0.00 H new ATOM 0 HD11 LEU A 59 61.277 -2.276 -6.497 1.00 0.00 H new ATOM 0 HD12 LEU A 59 61.748 -3.565 -5.364 1.00 0.00 H new ATOM 0 HD13 LEU A 59 60.435 -3.844 -6.532 1.00 0.00 H new ATOM 0 HD21 LEU A 59 59.102 -1.069 -6.208 1.00 0.00 H new ATOM 0 HD22 LEU A 59 58.233 -2.621 -6.263 1.00 0.00 H new ATOM 0 HD23 LEU A 59 58.001 -1.520 -4.884 1.00 0.00 H new ATOM 957 N TYR A 60 58.459 -4.845 -1.024 1.00 0.00 N ATOM 958 CA TYR A 60 57.894 -5.957 -0.242 1.00 0.00 C ATOM 959 C TYR A 60 57.428 -5.482 1.137 1.00 0.00 C ATOM 960 O TYR A 60 58.086 -4.676 1.790 1.00 0.00 O ATOM 961 CB TYR A 60 58.946 -7.074 -0.079 1.00 0.00 C ATOM 962 CG TYR A 60 58.917 -7.995 -1.292 1.00 0.00 C ATOM 963 CD1 TYR A 60 59.174 -7.475 -2.572 1.00 0.00 C ATOM 964 CD2 TYR A 60 58.627 -9.364 -1.144 1.00 0.00 C ATOM 965 CE1 TYR A 60 59.146 -8.320 -3.690 1.00 0.00 C ATOM 966 CE2 TYR A 60 58.599 -10.201 -2.266 1.00 0.00 C ATOM 967 CZ TYR A 60 58.857 -9.679 -3.536 1.00 0.00 C ATOM 968 OH TYR A 60 58.837 -10.508 -4.638 1.00 0.00 O ATOM 0 H TYR A 60 59.329 -4.467 -0.650 1.00 0.00 H new ATOM 0 HA TYR A 60 57.030 -6.345 -0.781 1.00 0.00 H new ATOM 0 HB2 TYR A 60 59.938 -6.637 0.033 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.745 -7.645 0.827 1.00 0.00 H new ATOM 0 HD1 TYR A 60 59.393 -6.425 -2.694 1.00 0.00 H new ATOM 0 HD2 TYR A 60 58.426 -9.770 -0.164 1.00 0.00 H new ATOM 0 HE1 TYR A 60 59.348 -7.920 -4.673 1.00 0.00 H new ATOM 0 HE2 TYR A 60 58.378 -11.252 -2.150 1.00 0.00 H new ATOM 0 HH TYR A 60 58.621 -11.421 -4.356 1.00 0.00 H new ATOM 978 N ARG A 61 56.282 -6.011 1.574 1.00 0.00 N ATOM 979 CA ARG A 61 55.708 -5.660 2.879 1.00 0.00 C ATOM 980 C ARG A 61 55.705 -6.870 3.808 1.00 0.00 C ATOM 981 O ARG A 61 55.917 -8.002 3.375 1.00 0.00 O ATOM 982 CB ARG A 61 54.277 -5.151 2.695 1.00 0.00 C ATOM 983 CG ARG A 61 54.304 -3.855 1.882 1.00 0.00 C ATOM 984 CD ARG A 61 52.873 -3.375 1.636 1.00 0.00 C ATOM 985 NE ARG A 61 52.176 -4.314 0.764 1.00 0.00 N ATOM 986 CZ ARG A 61 52.312 -4.262 -0.557 1.00 0.00 C ATOM 987 NH1 ARG A 61 53.056 -3.343 -1.107 1.00 0.00 N ATOM 988 NH2 ARG A 61 51.705 -5.142 -1.308 1.00 0.00 N ATOM 0 H ARG A 61 55.731 -6.686 1.043 1.00 0.00 H new ATOM 0 HA ARG A 61 56.320 -4.877 3.327 1.00 0.00 H new ATOM 0 HB2 ARG A 61 53.674 -5.902 2.184 1.00 0.00 H new ATOM 0 HB3 ARG A 61 53.813 -4.976 3.666 1.00 0.00 H new ATOM 0 HG2 ARG A 61 54.868 -3.090 2.416 1.00 0.00 H new ATOM 0 HG3 ARG A 61 54.812 -4.020 0.932 1.00 0.00 H new ATOM 0 HD2 ARG A 61 52.343 -3.284 2.584 1.00 0.00 H new ATOM 0 HD3 ARG A 61 52.886 -2.384 1.182 1.00 0.00 H new ATOM 0 HE ARG A 61 51.572 -5.025 1.177 1.00 0.00 H new ATOM 0 HH11 ARG A 61 53.537 -2.659 -0.523 1.00 0.00 H new ATOM 0 HH12 ARG A 61 53.157 -3.308 -2.121 1.00 0.00 H new ATOM 0 HH21 ARG A 61 51.128 -5.867 -0.880 1.00 0.00 H new ATOM 0 HH22 ARG A 61 51.808 -5.104 -2.322 1.00 0.00 H new ATOM 1002 N GLU A 62 55.472 -6.614 5.092 1.00 0.00 N ATOM 1003 CA GLU A 62 55.454 -7.678 6.090 1.00 0.00 C ATOM 1004 C GLU A 62 54.351 -8.695 5.816 1.00 0.00 C ATOM 1005 O GLU A 62 53.184 -8.335 5.657 1.00 0.00 O ATOM 1006 CB GLU A 62 55.238 -7.091 7.489 1.00 0.00 C ATOM 1007 CG GLU A 62 56.457 -6.263 7.897 1.00 0.00 C ATOM 1008 CD GLU A 62 56.231 -5.635 9.267 1.00 0.00 C ATOM 1009 OE1 GLU A 62 55.145 -5.796 9.800 1.00 0.00 O ATOM 1010 OE2 GLU A 62 57.147 -5.000 9.761 1.00 0.00 O ATOM 0 H GLU A 62 55.294 -5.682 5.465 1.00 0.00 H new ATOM 0 HA GLU A 62 56.419 -8.183 6.034 1.00 0.00 H new ATOM 0 HB2 GLU A 62 54.344 -6.468 7.498 1.00 0.00 H new ATOM 0 HB3 GLU A 62 55.074 -7.893 8.209 1.00 0.00 H new ATOM 0 HG2 GLU A 62 57.344 -6.896 7.921 1.00 0.00 H new ATOM 0 HG3 GLU A 62 56.641 -5.484 7.157 1.00 0.00 H new ATOM 1017 N GLY A 63 54.729 -9.974 5.808 1.00 0.00 N ATOM 1018 CA GLY A 63 53.759 -11.055 5.599 1.00 0.00 C ATOM 1019 C GLY A 63 53.596 -11.427 4.129 1.00 0.00 C ATOM 1020 O GLY A 63 52.748 -12.254 3.793 1.00 0.00 O ATOM 0 H GLY A 63 55.690 -10.287 5.942 1.00 0.00 H new ATOM 0 HA2 GLY A 63 54.076 -11.935 6.159 1.00 0.00 H new ATOM 0 HA3 GLY A 63 52.792 -10.753 6.002 1.00 0.00 H new ATOM 1024 N GLN A 64 54.399 -10.832 3.249 1.00 0.00 N ATOM 1025 CA GLN A 64 54.292 -11.153 1.827 1.00 0.00 C ATOM 1026 C GLN A 64 55.027 -12.446 1.498 1.00 0.00 C ATOM 1027 O GLN A 64 56.165 -12.658 1.921 1.00 0.00 O ATOM 1028 CB GLN A 64 54.850 -10.021 0.960 1.00 0.00 C ATOM 1029 CG GLN A 64 53.883 -8.835 0.969 1.00 0.00 C ATOM 1030 CD GLN A 64 54.369 -7.771 -0.009 1.00 0.00 C ATOM 1031 OE1 GLN A 64 55.358 -7.983 -0.712 1.00 0.00 O ATOM 1032 NE2 GLN A 64 53.735 -6.635 -0.098 1.00 0.00 N ATOM 0 H GLN A 64 55.113 -10.143 3.486 1.00 0.00 H new ATOM 0 HA GLN A 64 53.232 -11.280 1.607 1.00 0.00 H new ATOM 0 HB2 GLN A 64 55.825 -9.710 1.336 1.00 0.00 H new ATOM 0 HB3 GLN A 64 54.999 -10.372 -0.061 1.00 0.00 H new ATOM 0 HG2 GLN A 64 52.882 -9.167 0.693 1.00 0.00 H new ATOM 0 HG3 GLN A 64 53.815 -8.416 1.973 1.00 0.00 H new ATOM 0 HE21 GLN A 64 52.916 -6.461 0.485 1.00 0.00 H new ATOM 0 HE22 GLN A 64 54.058 -5.921 -0.750 1.00 0.00 H new ATOM 1041 N VAL A 65 54.367 -13.300 0.717 1.00 0.00 N ATOM 1042 CA VAL A 65 54.949 -14.577 0.296 1.00 0.00 C ATOM 1043 C VAL A 65 54.919 -14.672 -1.225 1.00 0.00 C ATOM 1044 O VAL A 65 53.863 -14.534 -1.843 1.00 0.00 O ATOM 1045 CB VAL A 65 54.166 -15.744 0.919 1.00 0.00 C ATOM 1046 CG1 VAL A 65 52.661 -15.548 0.718 1.00 0.00 C ATOM 1047 CG2 VAL A 65 54.598 -17.065 0.271 1.00 0.00 C ATOM 0 H VAL A 65 53.426 -13.131 0.361 1.00 0.00 H new ATOM 0 HA VAL A 65 55.983 -14.633 0.637 1.00 0.00 H new ATOM 0 HB VAL A 65 54.380 -15.773 1.987 1.00 0.00 H new ATOM 0 HG11 VAL A 65 52.122 -16.383 1.165 1.00 0.00 H new ATOM 0 HG12 VAL A 65 52.348 -14.618 1.194 1.00 0.00 H new ATOM 0 HG13 VAL A 65 52.439 -15.502 -0.348 1.00 0.00 H new ATOM 0 HG21 VAL A 65 54.040 -17.888 0.716 1.00 0.00 H new ATOM 0 HG22 VAL A 65 54.397 -17.028 -0.800 1.00 0.00 H new ATOM 0 HG23 VAL A 65 55.665 -17.219 0.435 1.00 0.00 H new ATOM 1057 N VAL A 66 56.089 -14.891 -1.827 1.00 0.00 N ATOM 1058 CA VAL A 66 56.191 -14.983 -3.288 1.00 0.00 C ATOM 1059 C VAL A 66 57.299 -15.971 -3.694 1.00 0.00 C ATOM 1060 O VAL A 66 58.372 -15.962 -3.088 1.00 0.00 O ATOM 1061 CB VAL A 66 56.525 -13.594 -3.853 1.00 0.00 C ATOM 1062 CG1 VAL A 66 56.243 -13.556 -5.356 1.00 0.00 C ATOM 1063 CG2 VAL A 66 55.662 -12.538 -3.157 1.00 0.00 C ATOM 0 H VAL A 66 56.973 -15.007 -1.332 1.00 0.00 H new ATOM 0 HA VAL A 66 55.241 -15.339 -3.687 1.00 0.00 H new ATOM 0 HB VAL A 66 57.581 -13.387 -3.678 1.00 0.00 H new ATOM 0 HG11 VAL A 66 56.483 -12.567 -5.746 1.00 0.00 H new ATOM 0 HG12 VAL A 66 56.855 -14.304 -5.860 1.00 0.00 H new ATOM 0 HG13 VAL A 66 55.189 -13.770 -5.534 1.00 0.00 H new ATOM 0 HG21 VAL A 66 55.899 -11.553 -3.558 1.00 0.00 H new ATOM 0 HG22 VAL A 66 54.608 -12.757 -3.331 1.00 0.00 H new ATOM 0 HG23 VAL A 66 55.863 -12.552 -2.086 1.00 0.00 H new ATOM 1073 N PRO A 67 57.101 -16.814 -4.701 1.00 0.00 N ATOM 1074 CA PRO A 67 58.168 -17.771 -5.130 1.00 0.00 C ATOM 1075 C PRO A 67 59.481 -17.050 -5.460 1.00 0.00 C ATOM 1076 O PRO A 67 59.476 -15.906 -5.915 1.00 0.00 O ATOM 1077 CB PRO A 67 57.599 -18.463 -6.383 1.00 0.00 C ATOM 1078 CG PRO A 67 56.117 -18.230 -6.354 1.00 0.00 C ATOM 1079 CD PRO A 67 55.869 -16.970 -5.511 1.00 0.00 C ATOM 0 HA PRO A 67 58.410 -18.478 -4.336 1.00 0.00 H new ATOM 0 HB2 PRO A 67 58.040 -18.050 -7.290 1.00 0.00 H new ATOM 0 HB3 PRO A 67 57.826 -19.529 -6.375 1.00 0.00 H new ATOM 0 HG2 PRO A 67 55.729 -18.099 -7.364 1.00 0.00 H new ATOM 0 HG3 PRO A 67 55.601 -19.088 -5.923 1.00 0.00 H new ATOM 0 HD2 PRO A 67 55.696 -16.098 -6.142 1.00 0.00 H new ATOM 0 HD3 PRO A 67 54.990 -17.084 -4.877 1.00 0.00 H new ATOM 1087 N VAL A 68 60.599 -17.731 -5.226 1.00 0.00 N ATOM 1088 CA VAL A 68 61.915 -17.154 -5.496 1.00 0.00 C ATOM 1089 C VAL A 68 62.058 -16.773 -6.973 1.00 0.00 C ATOM 1090 O VAL A 68 61.796 -17.578 -7.867 1.00 0.00 O ATOM 1091 CB VAL A 68 63.000 -18.173 -5.098 1.00 0.00 C ATOM 1092 CG1 VAL A 68 62.616 -19.562 -5.613 1.00 0.00 C ATOM 1093 CG2 VAL A 68 64.362 -17.776 -5.689 1.00 0.00 C ATOM 0 H VAL A 68 60.622 -18.679 -4.851 1.00 0.00 H new ATOM 0 HA VAL A 68 62.031 -16.243 -4.908 1.00 0.00 H new ATOM 0 HB VAL A 68 63.076 -18.186 -4.011 1.00 0.00 H new ATOM 0 HG11 VAL A 68 63.385 -20.280 -5.330 1.00 0.00 H new ATOM 0 HG12 VAL A 68 61.663 -19.861 -5.177 1.00 0.00 H new ATOM 0 HG13 VAL A 68 62.526 -19.535 -6.699 1.00 0.00 H new ATOM 0 HG21 VAL A 68 65.114 -18.509 -5.396 1.00 0.00 H new ATOM 0 HG22 VAL A 68 64.291 -17.744 -6.776 1.00 0.00 H new ATOM 0 HG23 VAL A 68 64.648 -16.793 -5.315 1.00 0.00 H new ATOM 1103 N GLY A 69 62.493 -15.535 -7.214 1.00 0.00 N ATOM 1104 CA GLY A 69 62.695 -15.039 -8.582 1.00 0.00 C ATOM 1105 C GLY A 69 62.107 -13.642 -8.779 1.00 0.00 C ATOM 1106 O GLY A 69 61.378 -13.404 -9.744 1.00 0.00 O ATOM 0 H GLY A 69 62.712 -14.857 -6.484 1.00 0.00 H new ATOM 0 HA2 GLY A 69 63.762 -15.018 -8.806 1.00 0.00 H new ATOM 0 HA3 GLY A 69 62.234 -15.729 -9.289 1.00 0.00 H new ATOM 1110 N SER A 70 62.417 -12.715 -7.873 1.00 0.00 N ATOM 1111 CA SER A 70 61.902 -11.352 -7.991 1.00 0.00 C ATOM 1112 C SER A 70 62.747 -10.381 -7.177 1.00 0.00 C ATOM 1113 O SER A 70 63.520 -10.793 -6.312 1.00 0.00 O ATOM 1114 CB SER A 70 60.455 -11.296 -7.508 1.00 0.00 C ATOM 1115 OG SER A 70 60.385 -11.806 -6.183 1.00 0.00 O ATOM 0 H SER A 70 63.013 -12.879 -7.061 1.00 0.00 H new ATOM 0 HA SER A 70 61.948 -11.061 -9.040 1.00 0.00 H new ATOM 0 HB2 SER A 70 60.089 -10.270 -7.535 1.00 0.00 H new ATOM 0 HB3 SER A 70 59.815 -11.880 -8.170 1.00 0.00 H new ATOM 0 HG SER A 70 60.038 -11.113 -5.584 1.00 0.00 H new ATOM 1121 N THR A 71 62.599 -9.085 -7.456 1.00 0.00 N ATOM 1122 CA THR A 71 63.362 -8.066 -6.737 1.00 0.00 C ATOM 1123 C THR A 71 62.635 -7.662 -5.456 1.00 0.00 C ATOM 1124 O THR A 71 61.544 -7.092 -5.493 1.00 0.00 O ATOM 1125 CB THR A 71 63.573 -6.835 -7.632 1.00 0.00 C ATOM 1126 OG1 THR A 71 64.560 -5.996 -7.044 1.00 0.00 O ATOM 1127 CG2 THR A 71 62.261 -6.051 -7.785 1.00 0.00 C ATOM 0 H THR A 71 61.965 -8.720 -8.167 1.00 0.00 H new ATOM 0 HA THR A 71 64.334 -8.482 -6.471 1.00 0.00 H new ATOM 0 HB THR A 71 63.901 -7.164 -8.618 1.00 0.00 H new ATOM 0 HG1 THR A 71 64.701 -5.209 -7.611 1.00 0.00 H new ATOM 0 HG21 THR A 71 62.428 -5.182 -8.422 1.00 0.00 H new ATOM 0 HG22 THR A 71 61.505 -6.692 -8.237 1.00 0.00 H new ATOM 0 HG23 THR A 71 61.918 -5.721 -6.804 1.00 0.00 H new ATOM 1135 N LEU A 72 63.246 -7.973 -4.324 1.00 0.00 N ATOM 1136 CA LEU A 72 62.647 -7.647 -3.036 1.00 0.00 C ATOM 1137 C LEU A 72 62.558 -6.137 -2.828 1.00 0.00 C ATOM 1138 O LEU A 72 61.574 -5.630 -2.296 1.00 0.00 O ATOM 1139 CB LEU A 72 63.480 -8.252 -1.911 1.00 0.00 C ATOM 1140 CG LEU A 72 63.388 -9.784 -1.944 1.00 0.00 C ATOM 1141 CD1 LEU A 72 64.383 -10.364 -0.930 1.00 0.00 C ATOM 1142 CD2 LEU A 72 61.949 -10.243 -1.622 1.00 0.00 C ATOM 0 H LEU A 72 64.148 -8.446 -4.268 1.00 0.00 H new ATOM 0 HA LEU A 72 61.639 -8.060 -3.025 1.00 0.00 H new ATOM 0 HB2 LEU A 72 64.520 -7.941 -2.012 1.00 0.00 H new ATOM 0 HB3 LEU A 72 63.128 -7.880 -0.949 1.00 0.00 H new ATOM 0 HG LEU A 72 63.638 -10.145 -2.941 1.00 0.00 H new ATOM 0 HD11 LEU A 72 64.326 -11.452 -0.946 1.00 0.00 H new ATOM 0 HD12 LEU A 72 65.394 -10.050 -1.192 1.00 0.00 H new ATOM 0 HD13 LEU A 72 64.138 -10.002 0.068 1.00 0.00 H new ATOM 0 HD21 LEU A 72 61.900 -11.332 -1.649 1.00 0.00 H new ATOM 0 HD22 LEU A 72 61.669 -9.892 -0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 72 61.262 -9.830 -2.360 1.00 0.00 H new ATOM 1154 N LEU A 73 63.615 -5.437 -3.218 1.00 0.00 N ATOM 1155 CA LEU A 73 63.685 -3.985 -3.048 1.00 0.00 C ATOM 1156 C LEU A 73 64.600 -3.406 -4.139 1.00 0.00 C ATOM 1157 O LEU A 73 65.460 -4.113 -4.664 1.00 0.00 O ATOM 1158 CB LEU A 73 64.166 -3.702 -1.588 1.00 0.00 C ATOM 1159 CG LEU A 73 65.203 -2.566 -1.480 1.00 0.00 C ATOM 1160 CD1 LEU A 73 64.543 -1.194 -1.680 1.00 0.00 C ATOM 1161 CD2 LEU A 73 65.849 -2.617 -0.084 1.00 0.00 C ATOM 0 H LEU A 73 64.439 -5.849 -3.656 1.00 0.00 H new ATOM 0 HA LEU A 73 62.719 -3.495 -3.170 1.00 0.00 H new ATOM 0 HB2 LEU A 73 63.301 -3.451 -0.974 1.00 0.00 H new ATOM 0 HB3 LEU A 73 64.597 -4.614 -1.175 1.00 0.00 H new ATOM 0 HG LEU A 73 65.954 -2.702 -2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 73 65.298 -0.412 -1.599 1.00 0.00 H new ATOM 0 HD12 LEU A 73 64.082 -1.152 -2.667 1.00 0.00 H new ATOM 0 HD13 LEU A 73 63.780 -1.043 -0.917 1.00 0.00 H new ATOM 0 HD21 LEU A 73 66.585 -1.818 0.006 1.00 0.00 H new ATOM 0 HD22 LEU A 73 65.080 -2.489 0.678 1.00 0.00 H new ATOM 0 HD23 LEU A 73 66.340 -3.580 0.055 1.00 0.00 H new ATOM 1173 N GLN A 74 64.397 -2.136 -4.506 1.00 0.00 N ATOM 1174 CA GLN A 74 65.208 -1.513 -5.567 1.00 0.00 C ATOM 1175 C GLN A 74 66.262 -0.586 -4.975 1.00 0.00 C ATOM 1176 O GLN A 74 65.964 0.265 -4.142 1.00 0.00 O ATOM 1177 CB GLN A 74 64.311 -0.712 -6.513 1.00 0.00 C ATOM 1178 CG GLN A 74 65.147 -0.189 -7.686 1.00 0.00 C ATOM 1179 CD GLN A 74 64.255 0.541 -8.686 1.00 0.00 C ATOM 1180 OE1 GLN A 74 63.632 1.546 -8.346 1.00 0.00 O ATOM 1181 NE2 GLN A 74 64.158 0.092 -9.907 1.00 0.00 N ATOM 0 H GLN A 74 63.691 -1.525 -4.094 1.00 0.00 H new ATOM 0 HA GLN A 74 65.708 -2.310 -6.118 1.00 0.00 H new ATOM 0 HB2 GLN A 74 63.500 -1.340 -6.882 1.00 0.00 H new ATOM 0 HB3 GLN A 74 63.852 0.120 -5.979 1.00 0.00 H new ATOM 0 HG2 GLN A 74 65.921 0.485 -7.318 1.00 0.00 H new ATOM 0 HG3 GLN A 74 65.655 -1.018 -8.178 1.00 0.00 H new ATOM 0 HE21 GLN A 74 64.675 -0.741 -10.187 1.00 0.00 H new ATOM 0 HE22 GLN A 74 63.565 0.574 -10.582 1.00 0.00 H new ATOM 1190 N ILE A 75 67.509 -0.776 -5.411 1.00 0.00 N ATOM 1191 CA ILE A 75 68.637 0.022 -4.915 1.00 0.00 C ATOM 1192 C ILE A 75 69.451 0.617 -6.058 1.00 0.00 C ATOM 1193 O ILE A 75 69.874 -0.089 -6.973 1.00 0.00 O ATOM 1194 CB ILE A 75 69.535 -0.875 -4.060 1.00 0.00 C ATOM 1195 CG1 ILE A 75 68.772 -1.322 -2.811 1.00 0.00 C ATOM 1196 CG2 ILE A 75 70.797 -0.128 -3.625 1.00 0.00 C ATOM 1197 CD1 ILE A 75 69.522 -2.476 -2.142 1.00 0.00 C ATOM 0 H ILE A 75 67.765 -1.476 -6.107 1.00 0.00 H new ATOM 0 HA ILE A 75 68.243 0.848 -4.324 1.00 0.00 H new ATOM 0 HB ILE A 75 69.823 -1.739 -4.659 1.00 0.00 H new ATOM 0 HG12 ILE A 75 68.670 -0.489 -2.116 1.00 0.00 H new ATOM 0 HG13 ILE A 75 67.764 -1.637 -3.081 1.00 0.00 H new ATOM 0 HG21 ILE A 75 71.419 -0.787 -3.019 1.00 0.00 H new ATOM 0 HG22 ILE A 75 71.355 0.188 -4.507 1.00 0.00 H new ATOM 0 HG23 ILE A 75 70.518 0.748 -3.039 1.00 0.00 H new ATOM 0 HD11 ILE A 75 68.979 -2.795 -1.252 1.00 0.00 H new ATOM 0 HD12 ILE A 75 69.601 -3.311 -2.838 1.00 0.00 H new ATOM 0 HD13 ILE A 75 70.521 -2.145 -1.858 1.00 0.00 H new ATOM 1209 N ASP A 76 69.682 1.925 -5.976 1.00 0.00 N ATOM 1210 CA ASP A 76 70.471 2.635 -6.985 1.00 0.00 C ATOM 1211 C ASP A 76 71.915 2.761 -6.513 1.00 0.00 C ATOM 1212 O ASP A 76 72.192 3.441 -5.526 1.00 0.00 O ATOM 1213 CB ASP A 76 69.909 4.038 -7.207 1.00 0.00 C ATOM 1214 CG ASP A 76 68.479 3.966 -7.726 1.00 0.00 C ATOM 1215 OD1 ASP A 76 68.094 2.913 -8.202 1.00 0.00 O ATOM 1216 OD2 ASP A 76 67.790 4.970 -7.646 1.00 0.00 O ATOM 0 H ASP A 76 69.335 2.517 -5.221 1.00 0.00 H new ATOM 0 HA ASP A 76 70.427 2.071 -7.917 1.00 0.00 H new ATOM 0 HB2 ASP A 76 69.935 4.598 -6.272 1.00 0.00 H new ATOM 0 HB3 ASP A 76 70.533 4.577 -7.919 1.00 0.00 H new ATOM 1221 N THR A 77 72.831 2.109 -7.217 1.00 0.00 N ATOM 1222 CA THR A 77 74.242 2.166 -6.850 1.00 0.00 C ATOM 1223 C THR A 77 74.785 3.581 -7.018 1.00 0.00 C ATOM 1224 O THR A 77 74.337 4.266 -7.923 1.00 0.00 O ATOM 1225 CB THR A 77 75.045 1.199 -7.722 1.00 0.00 C ATOM 1226 OG1 THR A 77 76.428 1.322 -7.422 1.00 0.00 O ATOM 1227 CG2 THR A 77 74.815 1.524 -9.198 1.00 0.00 C ATOM 1228 OXT THR A 77 75.646 3.957 -6.241 1.00 0.00 O ATOM 0 H THR A 77 72.627 1.539 -8.038 1.00 0.00 H new ATOM 0 HA THR A 77 74.339 1.878 -5.803 1.00 0.00 H new ATOM 0 HB THR A 77 74.718 0.179 -7.520 1.00 0.00 H new ATOM 0 HG1 THR A 77 76.940 0.701 -7.980 1.00 0.00 H new ATOM 0 HG21 THR A 77 75.388 0.833 -9.816 1.00 0.00 H new ATOM 0 HG22 THR A 77 73.755 1.425 -9.431 1.00 0.00 H new ATOM 0 HG23 THR A 77 75.138 2.545 -9.400 1.00 0.00 H new TER 1236 THR A 77