USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 540 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 49 HIS :FLIP no HD1:sc= -0.451 F(o=-2.6,f=-0.93) USER MOD Set 1.2: A 63 GLN : amide:sc= -0.484 K(o=-0.93,f=-3.7!) USER MOD Set 2.1: A 32 LYS NZ :NH3+ 155:sc= 0.927 (180deg=0) USER MOD Set 2.2: A 33 ASN : amide:sc= -1.33 K(o=-0.4,f=-8.9!) USER MOD Set 3.1: A 26 CYS SG : rot 180:sc= 0.0305 USER MOD Set 3.2: A 30 TYR OH : rot 160:sc= 0.954 USER MOD Set 3.3: A 62 HIS : no HD1:sc= 0.201 K(o=1.2,f=-4.2) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0943 X(o=-0.094,f=0) USER MOD Single : A 20 MET CE :methyl -106:sc= -0.632 (180deg=-2.64!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0.279 K(o=0.28,f=-0.32) USER MOD Single : A 29 GLN : amide:sc= 0.025 X(o=0.025,f=-0.3) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 116:sc= 0.778 USER MOD Single : A 43 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.013) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.273 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= -0.076 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -6.652 0.039 -10.640 1.00 0.00 N ATOM 60 CA GLY A 7 -6.572 -0.988 -11.662 1.00 0.00 C ATOM 61 C GLY A 7 -7.225 -0.564 -12.963 1.00 0.00 C ATOM 62 O GLY A 7 -6.565 -0.479 -13.998 1.00 0.00 O ATOM 0 HA2 GLY A 7 -5.526 -1.232 -11.847 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.051 -1.897 -11.298 1.00 0.00 H new ATOM 66 N VAL A 8 -8.527 -0.299 -12.910 1.00 0.00 N ATOM 67 CA VAL A 8 -9.270 0.118 -14.094 1.00 0.00 C ATOM 68 C VAL A 8 -8.698 1.405 -14.677 1.00 0.00 C ATOM 69 O VAL A 8 -8.846 1.679 -15.868 1.00 0.00 O ATOM 70 CB VAL A 8 -10.761 0.331 -13.773 1.00 0.00 C ATOM 71 CG1 VAL A 8 -11.533 0.688 -15.034 1.00 0.00 C ATOM 72 CG2 VAL A 8 -11.347 -0.908 -13.113 1.00 0.00 C ATOM 0 H VAL A 8 -9.088 -0.366 -12.061 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.174 -0.683 -14.827 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.848 1.163 -13.074 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.585 0.835 -14.788 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.129 1.606 -15.460 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.440 -0.121 -15.759 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -12.401 -0.739 -12.893 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -11.248 -1.760 -13.786 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -10.812 -1.114 -12.186 1.00 0.00 H new ATOM 82 N SER A 9 -8.042 2.192 -13.830 1.00 0.00 N ATOM 83 CA SER A 9 -7.449 3.453 -14.261 1.00 0.00 C ATOM 84 C SER A 9 -6.183 3.207 -15.076 1.00 0.00 C ATOM 85 O SER A 9 -5.847 3.982 -15.972 1.00 0.00 O ATOM 86 CB SER A 9 -7.127 4.329 -13.049 1.00 0.00 C ATOM 87 OG SER A 9 -7.555 5.664 -13.257 1.00 0.00 O ATOM 0 H SER A 9 -7.908 1.979 -12.842 1.00 0.00 H new ATOM 0 HA SER A 9 -8.172 3.970 -14.892 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.613 3.922 -12.162 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.054 4.313 -12.860 1.00 0.00 H new ATOM 0 HG SER A 9 -7.339 6.203 -12.468 1.00 0.00 H new ATOM 93 N LYS A 10 -5.483 2.123 -14.758 1.00 0.00 N ATOM 94 CA LYS A 10 -4.254 1.772 -15.460 1.00 0.00 C ATOM 95 C LYS A 10 -4.515 0.694 -16.507 1.00 0.00 C ATOM 96 O LYS A 10 -3.605 -0.039 -16.896 1.00 0.00 O ATOM 97 CB LYS A 10 -3.196 1.288 -14.466 1.00 0.00 C ATOM 98 CG LYS A 10 -2.990 2.228 -13.291 1.00 0.00 C ATOM 99 CD LYS A 10 -1.535 2.646 -13.160 1.00 0.00 C ATOM 100 CE LYS A 10 -1.353 3.704 -12.083 1.00 0.00 C ATOM 101 NZ LYS A 10 -0.327 4.714 -12.464 1.00 0.00 N ATOM 0 H LYS A 10 -5.746 1.472 -14.018 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.886 2.664 -15.967 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.485 0.307 -14.089 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.248 1.161 -14.990 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.614 3.113 -13.418 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.313 1.739 -12.372 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.925 1.774 -12.922 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.179 3.033 -14.115 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.304 4.204 -11.901 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.061 3.224 -11.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.233 5.417 -11.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.587 4.241 -12.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.618 5.190 -13.342 1.00 0.00 H new ATOM 115 N TRP A 11 -5.760 0.604 -16.959 1.00 0.00 N ATOM 116 CA TRP A 11 -6.139 -0.385 -17.963 1.00 0.00 C ATOM 117 C TRP A 11 -5.596 -0.002 -19.336 1.00 0.00 C ATOM 118 O TRP A 11 -5.766 1.130 -19.787 1.00 0.00 O ATOM 119 CB TRP A 11 -7.661 -0.523 -18.023 1.00 0.00 C ATOM 120 CG TRP A 11 -8.180 -1.707 -17.266 1.00 0.00 C ATOM 121 CD1 TRP A 11 -7.601 -2.306 -16.183 1.00 0.00 C ATOM 122 CD2 TRP A 11 -9.382 -2.438 -17.535 1.00 0.00 C ATOM 123 NE1 TRP A 11 -8.370 -3.364 -15.763 1.00 0.00 N ATOM 124 CE2 TRP A 11 -9.469 -3.465 -16.576 1.00 0.00 C ATOM 125 CE3 TRP A 11 -10.393 -2.322 -18.492 1.00 0.00 C ATOM 126 CZ2 TRP A 11 -10.527 -4.370 -16.548 1.00 0.00 C ATOM 127 CZ3 TRP A 11 -11.443 -3.221 -18.464 1.00 0.00 C ATOM 128 CH2 TRP A 11 -11.503 -4.234 -17.497 1.00 0.00 C ATOM 0 H TRP A 11 -6.524 1.203 -16.647 1.00 0.00 H new ATOM 0 HA TRP A 11 -5.705 -1.343 -17.676 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -8.117 0.383 -17.623 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -7.971 -0.603 -19.065 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -6.675 -1.993 -15.724 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -8.158 -3.975 -14.974 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -10.355 -1.544 -19.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -10.575 -5.151 -15.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -12.230 -3.141 -19.199 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -12.336 -4.921 -17.501 1.00 0.00 H new ATOM 139 N SER A 12 -4.942 -0.953 -19.995 1.00 0.00 N ATOM 140 CA SER A 12 -4.371 -0.714 -21.315 1.00 0.00 C ATOM 141 C SER A 12 -5.450 -0.281 -22.303 1.00 0.00 C ATOM 142 O SER A 12 -6.643 -0.495 -22.091 1.00 0.00 O ATOM 143 CB SER A 12 -3.670 -1.974 -21.827 1.00 0.00 C ATOM 144 OG SER A 12 -2.276 -1.918 -21.581 1.00 0.00 O ATOM 0 H SER A 12 -4.794 -1.896 -19.636 1.00 0.00 H new ATOM 0 HA SER A 12 -3.640 0.089 -21.227 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.093 -2.853 -21.340 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.850 -2.085 -22.896 1.00 0.00 H new ATOM 0 HG SER A 12 -1.852 -2.735 -21.916 1.00 0.00 H new ATOM 150 N PRO A 13 -5.021 0.342 -23.410 1.00 0.00 N ATOM 151 CA PRO A 13 -5.933 0.818 -24.455 1.00 0.00 C ATOM 152 C PRO A 13 -6.575 -0.327 -25.230 1.00 0.00 C ATOM 153 O PRO A 13 -7.623 -0.157 -25.852 1.00 0.00 O ATOM 154 CB PRO A 13 -5.024 1.642 -25.371 1.00 0.00 C ATOM 155 CG PRO A 13 -3.663 1.073 -25.165 1.00 0.00 C ATOM 156 CD PRO A 13 -3.612 0.630 -23.729 1.00 0.00 C ATOM 0 HA PRO A 13 -6.768 1.383 -24.041 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -5.334 1.561 -26.413 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.054 2.700 -25.111 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.485 0.235 -25.838 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -2.894 1.817 -25.371 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.983 -0.251 -23.603 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.205 1.408 -23.083 1.00 0.00 H new ATOM 164 N SER A 14 -5.939 -1.493 -25.188 1.00 0.00 N ATOM 165 CA SER A 14 -6.446 -2.667 -25.890 1.00 0.00 C ATOM 166 C SER A 14 -7.305 -3.524 -24.965 1.00 0.00 C ATOM 167 O SER A 14 -8.185 -4.254 -25.419 1.00 0.00 O ATOM 168 CB SER A 14 -5.287 -3.498 -26.443 1.00 0.00 C ATOM 169 OG SER A 14 -4.157 -2.684 -26.708 1.00 0.00 O ATOM 0 H SER A 14 -5.071 -1.650 -24.675 1.00 0.00 H new ATOM 0 HA SER A 14 -7.065 -2.324 -26.719 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.019 -4.276 -25.728 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.600 -4.001 -27.358 1.00 0.00 H new ATOM 0 HG SER A 14 -3.429 -3.239 -27.059 1.00 0.00 H new ATOM 175 N GLN A 15 -7.042 -3.427 -23.666 1.00 0.00 N ATOM 176 CA GLN A 15 -7.790 -4.194 -22.676 1.00 0.00 C ATOM 177 C GLN A 15 -9.250 -3.753 -22.636 1.00 0.00 C ATOM 178 O GLN A 15 -10.161 -4.580 -22.679 1.00 0.00 O ATOM 179 CB GLN A 15 -7.159 -4.034 -21.292 1.00 0.00 C ATOM 180 CG GLN A 15 -5.895 -4.857 -21.102 1.00 0.00 C ATOM 181 CD GLN A 15 -6.157 -6.175 -20.400 1.00 0.00 C ATOM 182 OE1 GLN A 15 -5.904 -7.246 -20.951 1.00 0.00 O ATOM 183 NE2 GLN A 15 -6.666 -6.103 -19.175 1.00 0.00 N ATOM 0 H GLN A 15 -6.317 -2.825 -23.274 1.00 0.00 H new ATOM 0 HA GLN A 15 -7.754 -5.245 -22.964 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.926 -2.982 -21.127 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.888 -4.322 -20.534 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -5.443 -5.051 -22.075 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.173 -4.279 -20.525 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -6.860 -5.194 -18.756 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -6.862 -6.957 -18.653 1.00 0.00 H new ATOM 192 N VAL A 16 -9.466 -2.444 -22.552 1.00 0.00 N ATOM 193 CA VAL A 16 -10.815 -1.893 -22.507 1.00 0.00 C ATOM 194 C VAL A 16 -11.667 -2.430 -23.651 1.00 0.00 C ATOM 195 O VAL A 16 -12.884 -2.561 -23.525 1.00 0.00 O ATOM 196 CB VAL A 16 -10.795 -0.354 -22.574 1.00 0.00 C ATOM 197 CG1 VAL A 16 -12.212 0.199 -22.557 1.00 0.00 C ATOM 198 CG2 VAL A 16 -9.976 0.218 -21.427 1.00 0.00 C ATOM 0 H VAL A 16 -8.724 -1.745 -22.514 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.252 -2.202 -21.557 1.00 0.00 H new ATOM 0 HB VAL A 16 -10.325 -0.054 -23.510 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.178 1.287 -22.605 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.763 -0.185 -23.416 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.712 -0.108 -21.638 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.972 1.306 -21.490 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.415 -0.089 -20.478 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.953 -0.152 -21.490 1.00 0.00 H new ATOM 208 N VAL A 17 -11.018 -2.741 -24.769 1.00 0.00 N ATOM 209 CA VAL A 17 -11.716 -3.265 -25.937 1.00 0.00 C ATOM 210 C VAL A 17 -12.346 -4.621 -25.638 1.00 0.00 C ATOM 211 O VAL A 17 -13.472 -4.898 -26.051 1.00 0.00 O ATOM 212 CB VAL A 17 -10.766 -3.408 -27.141 1.00 0.00 C ATOM 213 CG1 VAL A 17 -11.545 -3.774 -28.396 1.00 0.00 C ATOM 214 CG2 VAL A 17 -9.974 -2.126 -27.350 1.00 0.00 C ATOM 0 H VAL A 17 -10.010 -2.639 -24.890 1.00 0.00 H new ATOM 0 HA VAL A 17 -12.500 -2.549 -26.185 1.00 0.00 H new ATOM 0 HB VAL A 17 -10.062 -4.213 -26.932 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.857 -3.871 -29.236 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -12.062 -4.721 -28.240 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -12.274 -2.993 -28.612 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.308 -2.245 -28.205 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.661 -1.301 -27.537 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.385 -1.913 -26.458 1.00 0.00 H new ATOM 224 N ASP A 18 -11.613 -5.461 -24.916 1.00 0.00 N ATOM 225 CA ASP A 18 -12.101 -6.788 -24.559 1.00 0.00 C ATOM 226 C ASP A 18 -13.289 -6.693 -23.606 1.00 0.00 C ATOM 227 O ASP A 18 -14.131 -7.589 -23.557 1.00 0.00 O ATOM 228 CB ASP A 18 -10.982 -7.611 -23.918 1.00 0.00 C ATOM 229 CG ASP A 18 -11.370 -9.064 -23.723 1.00 0.00 C ATOM 230 OD1 ASP A 18 -12.101 -9.602 -24.580 1.00 0.00 O ATOM 231 OD2 ASP A 18 -10.943 -9.662 -22.714 1.00 0.00 O ATOM 0 H ASP A 18 -10.679 -5.247 -24.566 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.430 -7.284 -25.472 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.091 -7.557 -24.544 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.721 -7.175 -22.954 1.00 0.00 H new ATOM 236 N TRP A 19 -13.348 -5.602 -22.851 1.00 0.00 N ATOM 237 CA TRP A 19 -14.432 -5.390 -21.899 1.00 0.00 C ATOM 238 C TRP A 19 -15.753 -5.150 -22.622 1.00 0.00 C ATOM 239 O TRP A 19 -16.784 -5.710 -22.251 1.00 0.00 O ATOM 240 CB TRP A 19 -14.113 -4.204 -20.987 1.00 0.00 C ATOM 241 CG TRP A 19 -15.254 -3.816 -20.096 1.00 0.00 C ATOM 242 CD1 TRP A 19 -15.814 -4.573 -19.106 1.00 0.00 C ATOM 243 CD2 TRP A 19 -15.973 -2.579 -20.114 1.00 0.00 C ATOM 244 NE1 TRP A 19 -16.839 -3.880 -18.508 1.00 0.00 N ATOM 245 CE2 TRP A 19 -16.956 -2.654 -19.107 1.00 0.00 C ATOM 246 CE3 TRP A 19 -15.882 -1.414 -20.880 1.00 0.00 C ATOM 247 CZ2 TRP A 19 -17.840 -1.609 -18.851 1.00 0.00 C ATOM 248 CZ3 TRP A 19 -16.760 -0.378 -20.625 1.00 0.00 C ATOM 249 CH2 TRP A 19 -17.728 -0.481 -19.617 1.00 0.00 C ATOM 0 H TRP A 19 -12.658 -4.851 -22.880 1.00 0.00 H new ATOM 0 HA TRP A 19 -14.530 -6.290 -21.292 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -13.248 -4.451 -20.371 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -13.833 -3.348 -21.601 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -15.498 -5.569 -18.834 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -17.419 -4.223 -17.742 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -15.138 -1.325 -21.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -18.587 -1.686 -18.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -16.699 0.526 -21.212 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -18.399 0.347 -19.441 1.00 0.00 H new ATOM 260 N MET A 20 -15.714 -4.316 -23.655 1.00 0.00 N ATOM 261 CA MET A 20 -16.909 -4.004 -24.431 1.00 0.00 C ATOM 262 C MET A 20 -17.473 -5.259 -25.088 1.00 0.00 C ATOM 263 O MET A 20 -18.659 -5.323 -25.413 1.00 0.00 O ATOM 264 CB MET A 20 -16.591 -2.955 -25.498 1.00 0.00 C ATOM 265 CG MET A 20 -15.994 -1.675 -24.934 1.00 0.00 C ATOM 266 SD MET A 20 -17.220 -0.369 -24.729 1.00 0.00 S ATOM 267 CE MET A 20 -17.646 -0.034 -26.436 1.00 0.00 C ATOM 0 H MET A 20 -14.868 -3.844 -23.975 1.00 0.00 H new ATOM 0 HA MET A 20 -17.660 -3.603 -23.750 1.00 0.00 H new ATOM 0 HB2 MET A 20 -15.896 -3.383 -26.220 1.00 0.00 H new ATOM 0 HB3 MET A 20 -17.505 -2.712 -26.040 1.00 0.00 H new ATOM 0 HG2 MET A 20 -15.531 -1.888 -23.970 1.00 0.00 H new ATOM 0 HG3 MET A 20 -15.203 -1.325 -25.597 1.00 0.00 H new ATOM 0 HE1 MET A 20 -17.200 0.912 -26.743 1.00 0.00 H new ATOM 0 HE2 MET A 20 -17.268 -0.836 -27.070 1.00 0.00 H new ATOM 0 HE3 MET A 20 -18.730 0.027 -26.535 1.00 0.00 H new ATOM 277 N LYS A 21 -16.616 -6.257 -25.282 1.00 0.00 N ATOM 278 CA LYS A 21 -17.029 -7.511 -25.899 1.00 0.00 C ATOM 279 C LYS A 21 -18.009 -8.262 -25.004 1.00 0.00 C ATOM 280 O LYS A 21 -18.667 -9.205 -25.441 1.00 0.00 O ATOM 281 CB LYS A 21 -15.808 -8.389 -26.185 1.00 0.00 C ATOM 282 CG LYS A 21 -14.805 -7.746 -27.127 1.00 0.00 C ATOM 283 CD LYS A 21 -13.839 -8.772 -27.697 1.00 0.00 C ATOM 284 CE LYS A 21 -13.057 -8.207 -28.873 1.00 0.00 C ATOM 285 NZ LYS A 21 -12.241 -9.253 -29.550 1.00 0.00 N ATOM 0 H LYS A 21 -15.631 -6.221 -25.020 1.00 0.00 H new ATOM 0 HA LYS A 21 -17.529 -7.276 -26.839 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.311 -8.624 -25.244 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -16.142 -9.334 -26.613 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.334 -7.251 -27.941 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.247 -6.975 -26.595 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.147 -9.093 -26.919 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.392 -9.656 -28.017 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.749 -7.765 -29.590 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.405 -7.406 -28.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.723 -8.828 -30.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.564 -9.657 -28.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.866 -10.005 -29.905 1.00 0.00 H new ATOM 299 N GLY A 22 -18.102 -7.836 -23.748 1.00 0.00 N ATOM 300 CA GLY A 22 -19.005 -8.479 -22.811 1.00 0.00 C ATOM 301 C GLY A 22 -20.097 -7.546 -22.326 1.00 0.00 C ATOM 302 O GLY A 22 -20.673 -7.755 -21.257 1.00 0.00 O ATOM 0 H GLY A 22 -17.568 -7.057 -23.363 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -19.459 -9.348 -23.287 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -18.437 -8.844 -21.956 1.00 0.00 H new ATOM 306 N LEU A 23 -20.384 -6.514 -23.112 1.00 0.00 N ATOM 307 CA LEU A 23 -21.414 -5.544 -22.756 1.00 0.00 C ATOM 308 C LEU A 23 -22.582 -5.607 -23.735 1.00 0.00 C ATOM 309 O LEU A 23 -22.666 -6.517 -24.559 1.00 0.00 O ATOM 310 CB LEU A 23 -20.826 -4.132 -22.735 1.00 0.00 C ATOM 311 CG LEU A 23 -19.546 -3.950 -21.920 1.00 0.00 C ATOM 312 CD1 LEU A 23 -19.116 -2.491 -21.920 1.00 0.00 C ATOM 313 CD2 LEU A 23 -19.744 -4.449 -20.496 1.00 0.00 C ATOM 0 H LEU A 23 -19.918 -6.327 -24.000 1.00 0.00 H new ATOM 0 HA LEU A 23 -21.784 -5.791 -21.761 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -20.625 -3.829 -23.762 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -21.582 -3.451 -22.344 1.00 0.00 H new ATOM 0 HG LEU A 23 -18.756 -4.541 -22.384 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -18.203 -2.381 -21.335 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -18.932 -2.166 -22.944 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -19.904 -1.879 -21.481 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -18.822 -4.311 -19.931 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -20.548 -3.886 -20.022 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -20.004 -5.507 -20.514 1.00 0.00 H new ATOM 325 N ASP A 24 -23.480 -4.633 -23.638 1.00 0.00 N ATOM 326 CA ASP A 24 -24.643 -4.575 -24.517 1.00 0.00 C ATOM 327 C ASP A 24 -24.224 -4.680 -25.980 1.00 0.00 C ATOM 328 O ASP A 24 -23.198 -4.132 -26.383 1.00 0.00 O ATOM 329 CB ASP A 24 -25.418 -3.277 -24.288 1.00 0.00 C ATOM 330 CG ASP A 24 -26.912 -3.508 -24.170 1.00 0.00 C ATOM 331 OD1 ASP A 24 -27.573 -3.666 -25.218 1.00 0.00 O ATOM 332 OD2 ASP A 24 -27.420 -3.531 -23.029 1.00 0.00 O ATOM 0 H ASP A 24 -23.425 -3.873 -22.960 1.00 0.00 H new ATOM 0 HA ASP A 24 -25.289 -5.421 -24.281 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -25.055 -2.796 -23.380 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -25.223 -2.591 -25.112 1.00 0.00 H new ATOM 337 N ASP A 25 -25.023 -5.389 -26.770 1.00 0.00 N ATOM 338 CA ASP A 25 -24.735 -5.566 -28.188 1.00 0.00 C ATOM 339 C ASP A 25 -24.650 -4.218 -28.898 1.00 0.00 C ATOM 340 O ASP A 25 -23.980 -4.087 -29.923 1.00 0.00 O ATOM 341 CB ASP A 25 -25.810 -6.435 -28.844 1.00 0.00 C ATOM 342 CG ASP A 25 -25.277 -7.225 -30.022 1.00 0.00 C ATOM 343 OD1 ASP A 25 -24.111 -7.668 -29.960 1.00 0.00 O ATOM 344 OD2 ASP A 25 -26.024 -7.400 -31.007 1.00 0.00 O ATOM 0 H ASP A 25 -25.875 -5.850 -26.452 1.00 0.00 H new ATOM 0 HA ASP A 25 -23.770 -6.065 -28.278 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -26.218 -7.123 -28.104 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -26.632 -5.801 -29.177 1.00 0.00 H new ATOM 349 N CYS A 26 -25.333 -3.221 -28.347 1.00 0.00 N ATOM 350 CA CYS A 26 -25.336 -1.883 -28.928 1.00 0.00 C ATOM 351 C CYS A 26 -23.974 -1.216 -28.764 1.00 0.00 C ATOM 352 O CYS A 26 -23.631 -0.292 -29.502 1.00 0.00 O ATOM 353 CB CYS A 26 -26.420 -1.024 -28.277 1.00 0.00 C ATOM 354 SG CYS A 26 -28.049 -1.182 -29.046 1.00 0.00 S ATOM 0 H CYS A 26 -25.892 -3.314 -27.499 1.00 0.00 H new ATOM 0 HA CYS A 26 -25.548 -1.977 -29.993 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -26.499 -1.295 -27.224 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -26.112 0.021 -28.315 1.00 0.00 H new ATOM 0 HG CYS A 26 -28.898 -0.419 -28.424 1.00 0.00 H new ATOM 360 N LEU A 27 -23.203 -1.689 -27.791 1.00 0.00 N ATOM 361 CA LEU A 27 -21.879 -1.137 -27.528 1.00 0.00 C ATOM 362 C LEU A 27 -20.801 -1.943 -28.247 1.00 0.00 C ATOM 363 O LEU A 27 -19.632 -1.914 -27.863 1.00 0.00 O ATOM 364 CB LEU A 27 -21.601 -1.120 -26.024 1.00 0.00 C ATOM 365 CG LEU A 27 -22.751 -0.647 -25.134 1.00 0.00 C ATOM 366 CD1 LEU A 27 -22.355 -0.715 -23.668 1.00 0.00 C ATOM 367 CD2 LEU A 27 -23.169 0.767 -25.511 1.00 0.00 C ATOM 0 H LEU A 27 -23.472 -2.453 -27.171 1.00 0.00 H new ATOM 0 HA LEU A 27 -21.857 -0.115 -27.907 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -21.320 -2.127 -25.715 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -20.739 -0.478 -25.841 1.00 0.00 H new ATOM 0 HG LEU A 27 -23.602 -1.310 -25.289 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -23.186 -0.374 -23.050 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -22.106 -1.743 -23.406 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -21.489 -0.076 -23.495 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -23.988 1.088 -24.868 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -22.323 1.442 -25.385 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -23.496 0.785 -26.551 1.00 0.00 H new ATOM 379 N GLN A 28 -21.203 -2.660 -29.291 1.00 0.00 N ATOM 380 CA GLN A 28 -20.270 -3.472 -30.064 1.00 0.00 C ATOM 381 C GLN A 28 -19.709 -2.683 -31.243 1.00 0.00 C ATOM 382 O GLN A 28 -18.497 -2.638 -31.450 1.00 0.00 O ATOM 383 CB GLN A 28 -20.961 -4.740 -30.567 1.00 0.00 C ATOM 384 CG GLN A 28 -21.510 -5.617 -29.453 1.00 0.00 C ATOM 385 CD GLN A 28 -20.419 -6.191 -28.571 1.00 0.00 C ATOM 386 OE1 GLN A 28 -19.451 -6.772 -29.060 1.00 0.00 O ATOM 387 NE2 GLN A 28 -20.570 -6.030 -27.261 1.00 0.00 N ATOM 0 H GLN A 28 -22.167 -2.695 -29.621 1.00 0.00 H new ATOM 0 HA GLN A 28 -19.443 -3.751 -29.411 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -21.777 -4.459 -31.233 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -20.252 -5.320 -31.159 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -22.197 -5.033 -28.841 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -22.087 -6.433 -29.889 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -21.389 -5.542 -26.898 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -19.867 -6.395 -26.618 1.00 0.00 H new ATOM 396 N GLN A 29 -20.599 -2.064 -32.011 1.00 0.00 N ATOM 397 CA GLN A 29 -20.191 -1.278 -33.170 1.00 0.00 C ATOM 398 C GLN A 29 -19.198 -0.192 -32.769 1.00 0.00 C ATOM 399 O GLN A 29 -18.390 0.256 -33.583 1.00 0.00 O ATOM 400 CB GLN A 29 -21.413 -0.646 -33.839 1.00 0.00 C ATOM 401 CG GLN A 29 -22.242 0.217 -32.902 1.00 0.00 C ATOM 402 CD GLN A 29 -23.650 0.449 -33.414 1.00 0.00 C ATOM 403 OE1 GLN A 29 -23.889 0.466 -34.622 1.00 0.00 O ATOM 404 NE2 GLN A 29 -24.592 0.628 -32.496 1.00 0.00 N ATOM 0 H GLN A 29 -21.606 -2.091 -31.852 1.00 0.00 H new ATOM 0 HA GLN A 29 -19.703 -1.948 -33.878 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -21.082 -0.038 -34.681 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -22.044 -1.437 -34.245 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -22.290 -0.259 -31.923 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -21.746 1.178 -32.766 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -24.350 0.606 -31.505 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -25.558 0.787 -32.781 1.00 0.00 H new ATOM 413 N TYR A 30 -19.263 0.227 -31.510 1.00 0.00 N ATOM 414 CA TYR A 30 -18.371 1.262 -31.002 1.00 0.00 C ATOM 415 C TYR A 30 -16.979 0.699 -30.735 1.00 0.00 C ATOM 416 O TYR A 30 -15.988 1.430 -30.752 1.00 0.00 O ATOM 417 CB TYR A 30 -18.942 1.872 -29.720 1.00 0.00 C ATOM 418 CG TYR A 30 -20.288 2.533 -29.911 1.00 0.00 C ATOM 419 CD1 TYR A 30 -20.537 3.341 -31.013 1.00 0.00 C ATOM 420 CD2 TYR A 30 -21.311 2.350 -28.988 1.00 0.00 C ATOM 421 CE1 TYR A 30 -21.765 3.948 -31.191 1.00 0.00 C ATOM 422 CE2 TYR A 30 -22.542 2.952 -29.159 1.00 0.00 C ATOM 423 CZ TYR A 30 -22.765 3.750 -30.261 1.00 0.00 C ATOM 424 OH TYR A 30 -23.990 4.352 -30.435 1.00 0.00 O ATOM 0 H TYR A 30 -19.924 -0.134 -30.823 1.00 0.00 H new ATOM 0 HA TYR A 30 -18.288 2.040 -31.761 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -19.034 1.091 -28.966 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -18.237 2.608 -29.332 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -19.757 3.497 -31.743 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -21.140 1.727 -28.123 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -21.941 4.574 -32.053 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -23.327 2.798 -28.433 1.00 0.00 H new ATOM 0 HH TYR A 30 -24.665 3.880 -29.903 1.00 0.00 H new ATOM 434 N ILE A 31 -16.913 -0.605 -30.489 1.00 0.00 N ATOM 435 CA ILE A 31 -15.643 -1.268 -30.220 1.00 0.00 C ATOM 436 C ILE A 31 -14.616 -0.948 -31.302 1.00 0.00 C ATOM 437 O ILE A 31 -13.447 -0.695 -31.009 1.00 0.00 O ATOM 438 CB ILE A 31 -15.814 -2.796 -30.127 1.00 0.00 C ATOM 439 CG1 ILE A 31 -16.827 -3.151 -29.037 1.00 0.00 C ATOM 440 CG2 ILE A 31 -14.474 -3.462 -29.851 1.00 0.00 C ATOM 441 CD1 ILE A 31 -17.067 -4.638 -28.897 1.00 0.00 C ATOM 0 H ILE A 31 -17.724 -1.223 -30.470 1.00 0.00 H new ATOM 0 HA ILE A 31 -15.287 -0.891 -29.261 1.00 0.00 H new ATOM 0 HB ILE A 31 -16.191 -3.165 -31.081 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -16.476 -2.756 -28.084 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -17.774 -2.657 -29.257 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -14.610 -4.542 -29.788 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -13.779 -3.231 -30.659 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -14.071 -3.092 -28.908 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -17.796 -4.816 -28.106 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -17.448 -5.035 -29.838 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -16.130 -5.136 -28.646 1.00 0.00 H new ATOM 453 N LYS A 32 -15.061 -0.959 -32.554 1.00 0.00 N ATOM 454 CA LYS A 32 -14.183 -0.667 -33.681 1.00 0.00 C ATOM 455 C LYS A 32 -13.540 0.708 -33.528 1.00 0.00 C ATOM 456 O LYS A 32 -12.422 0.936 -33.988 1.00 0.00 O ATOM 457 CB LYS A 32 -14.965 -0.732 -34.994 1.00 0.00 C ATOM 458 CG LYS A 32 -15.963 0.400 -35.165 1.00 0.00 C ATOM 459 CD LYS A 32 -15.429 1.477 -36.095 1.00 0.00 C ATOM 460 CE LYS A 32 -16.520 2.015 -37.009 1.00 0.00 C ATOM 461 NZ LYS A 32 -17.181 3.219 -36.435 1.00 0.00 N ATOM 0 H LYS A 32 -16.025 -1.167 -32.814 1.00 0.00 H new ATOM 0 HA LYS A 32 -13.394 -1.418 -33.698 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -14.262 -0.714 -35.827 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -15.495 -1.683 -35.045 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -16.898 0.005 -35.563 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -16.189 0.837 -34.192 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -15.011 2.293 -35.506 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.617 1.070 -36.697 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -16.090 2.264 -37.979 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -17.266 1.239 -37.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -17.585 3.792 -37.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -17.939 2.923 -35.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -16.481 3.784 -35.913 1.00 0.00 H new ATOM 475 N ASN A 33 -14.254 1.621 -32.877 1.00 0.00 N ATOM 476 CA ASN A 33 -13.753 2.974 -32.663 1.00 0.00 C ATOM 477 C ASN A 33 -12.768 3.010 -31.498 1.00 0.00 C ATOM 478 O ASN A 33 -11.852 3.833 -31.471 1.00 0.00 O ATOM 479 CB ASN A 33 -14.914 3.934 -32.394 1.00 0.00 C ATOM 480 CG ASN A 33 -15.809 4.112 -33.605 1.00 0.00 C ATOM 481 OD1 ASN A 33 -15.338 4.425 -34.699 1.00 0.00 O ATOM 482 ND2 ASN A 33 -17.108 3.912 -33.415 1.00 0.00 N ATOM 0 H ASN A 33 -15.181 1.448 -32.489 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.232 3.290 -33.567 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -15.507 3.559 -31.560 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -14.518 4.904 -32.093 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -17.759 4.017 -34.193 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -17.454 3.654 -32.491 1.00 0.00 H new ATOM 489 N PHE A 34 -12.962 2.113 -30.537 1.00 0.00 N ATOM 490 CA PHE A 34 -12.092 2.043 -29.370 1.00 0.00 C ATOM 491 C PHE A 34 -10.761 1.386 -29.723 1.00 0.00 C ATOM 492 O PHE A 34 -9.737 1.661 -29.098 1.00 0.00 O ATOM 493 CB PHE A 34 -12.775 1.264 -28.244 1.00 0.00 C ATOM 494 CG PHE A 34 -13.676 2.110 -27.390 1.00 0.00 C ATOM 495 CD1 PHE A 34 -14.812 2.694 -27.926 1.00 0.00 C ATOM 496 CD2 PHE A 34 -13.386 2.321 -26.052 1.00 0.00 C ATOM 497 CE1 PHE A 34 -15.642 3.474 -27.143 1.00 0.00 C ATOM 498 CE2 PHE A 34 -14.213 3.099 -25.263 1.00 0.00 C ATOM 499 CZ PHE A 34 -15.343 3.676 -25.810 1.00 0.00 C ATOM 0 H PHE A 34 -13.714 1.424 -30.544 1.00 0.00 H new ATOM 0 HA PHE A 34 -11.897 3.061 -29.032 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -13.357 0.450 -28.677 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -12.012 0.809 -27.613 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -15.052 2.538 -28.967 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -12.504 1.873 -25.620 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -16.524 3.925 -27.573 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -13.976 3.255 -24.221 1.00 0.00 H new ATOM 0 HZ PHE A 34 -15.991 4.284 -25.196 1.00 0.00 H new ATOM 509 N GLU A 35 -10.784 0.517 -30.728 1.00 0.00 N ATOM 510 CA GLU A 35 -9.580 -0.180 -31.163 1.00 0.00 C ATOM 511 C GLU A 35 -8.643 0.766 -31.909 1.00 0.00 C ATOM 512 O GLU A 35 -7.428 0.571 -31.921 1.00 0.00 O ATOM 513 CB GLU A 35 -9.945 -1.365 -32.060 1.00 0.00 C ATOM 514 CG GLU A 35 -9.535 -2.711 -31.486 1.00 0.00 C ATOM 515 CD GLU A 35 -8.042 -2.957 -31.585 1.00 0.00 C ATOM 516 OE1 GLU A 35 -7.266 -2.027 -31.282 1.00 0.00 O ATOM 517 OE2 GLU A 35 -7.651 -4.080 -31.966 1.00 0.00 O ATOM 0 H GLU A 35 -11.623 0.279 -31.256 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.065 -0.550 -30.276 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.022 -1.364 -32.229 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.470 -1.234 -33.032 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.840 -2.764 -30.441 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.066 -3.504 -32.013 1.00 0.00 H new ATOM 524 N ARG A 36 -9.218 1.791 -32.530 1.00 0.00 N ATOM 525 CA ARG A 36 -8.436 2.766 -33.280 1.00 0.00 C ATOM 526 C ARG A 36 -8.144 3.999 -32.428 1.00 0.00 C ATOM 527 O ARG A 36 -7.153 4.694 -32.647 1.00 0.00 O ATOM 528 CB ARG A 36 -9.178 3.177 -34.553 1.00 0.00 C ATOM 529 CG ARG A 36 -8.257 3.600 -35.685 1.00 0.00 C ATOM 530 CD ARG A 36 -9.028 4.278 -36.807 1.00 0.00 C ATOM 531 NE ARG A 36 -8.140 4.934 -37.763 1.00 0.00 N ATOM 532 CZ ARG A 36 -8.536 5.884 -38.602 1.00 0.00 C ATOM 533 NH1 ARG A 36 -9.800 6.287 -38.603 1.00 0.00 N ATOM 534 NH2 ARG A 36 -7.669 6.434 -39.442 1.00 0.00 N ATOM 0 H ARG A 36 -10.223 1.967 -32.528 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.489 2.301 -33.554 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.794 2.343 -34.890 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.854 3.999 -34.320 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.497 4.280 -35.302 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.735 2.727 -36.077 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -9.637 3.538 -37.327 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -9.712 5.014 -36.384 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.162 4.647 -37.788 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.470 5.867 -37.958 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.102 7.017 -39.248 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.696 6.127 -39.444 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.975 7.164 -40.086 1.00 0.00 H new ATOM 548 N GLU A 37 -9.014 4.261 -31.458 1.00 0.00 N ATOM 549 CA GLU A 37 -8.849 5.410 -30.576 1.00 0.00 C ATOM 550 C GLU A 37 -7.900 5.082 -29.427 1.00 0.00 C ATOM 551 O GLU A 37 -7.324 5.976 -28.808 1.00 0.00 O ATOM 552 CB GLU A 37 -10.205 5.854 -30.021 1.00 0.00 C ATOM 553 CG GLU A 37 -11.020 6.684 -30.999 1.00 0.00 C ATOM 554 CD GLU A 37 -11.220 8.111 -30.527 1.00 0.00 C ATOM 555 OE1 GLU A 37 -10.227 8.741 -30.106 1.00 0.00 O ATOM 556 OE2 GLU A 37 -12.368 8.598 -30.577 1.00 0.00 O ATOM 0 H GLU A 37 -9.839 3.694 -31.263 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.419 6.224 -31.159 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.780 4.972 -29.739 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.044 6.433 -29.112 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.520 6.692 -31.968 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.992 6.214 -31.146 1.00 0.00 H new ATOM 563 N LYS A 38 -7.744 3.793 -29.146 1.00 0.00 N ATOM 564 CA LYS A 38 -6.865 3.344 -28.073 1.00 0.00 C ATOM 565 C LYS A 38 -7.320 3.901 -26.728 1.00 0.00 C ATOM 566 O LYS A 38 -6.503 4.341 -25.919 1.00 0.00 O ATOM 567 CB LYS A 38 -5.423 3.773 -28.353 1.00 0.00 C ATOM 568 CG LYS A 38 -4.893 3.287 -29.691 1.00 0.00 C ATOM 569 CD LYS A 38 -4.255 1.913 -29.572 1.00 0.00 C ATOM 570 CE LYS A 38 -3.774 1.403 -30.922 1.00 0.00 C ATOM 571 NZ LYS A 38 -2.835 0.256 -30.779 1.00 0.00 N ATOM 0 H LYS A 38 -8.215 3.040 -29.647 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.912 2.256 -28.031 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.364 4.861 -28.322 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.780 3.396 -27.558 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.708 3.250 -30.414 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.160 3.998 -30.073 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.415 1.960 -28.879 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.976 1.211 -29.152 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.632 1.098 -31.521 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.280 2.212 -31.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.530 -0.063 -31.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.004 0.554 -30.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.314 -0.525 -30.287 1.00 0.00 H new ATOM 585 N ILE A 39 -8.628 3.877 -26.495 1.00 0.00 N ATOM 586 CA ILE A 39 -9.191 4.378 -25.247 1.00 0.00 C ATOM 587 C ILE A 39 -8.552 3.694 -24.043 1.00 0.00 C ATOM 588 O ILE A 39 -8.787 2.513 -23.790 1.00 0.00 O ATOM 589 CB ILE A 39 -10.716 4.168 -25.193 1.00 0.00 C ATOM 590 CG1 ILE A 39 -11.392 4.871 -26.372 1.00 0.00 C ATOM 591 CG2 ILE A 39 -11.274 4.679 -23.873 1.00 0.00 C ATOM 592 CD1 ILE A 39 -11.110 6.356 -26.432 1.00 0.00 C ATOM 0 H ILE A 39 -9.318 3.516 -27.154 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.978 5.446 -25.211 1.00 0.00 H new ATOM 0 HB ILE A 39 -10.924 3.100 -25.264 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -11.058 4.408 -27.301 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -12.469 4.716 -26.308 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.353 4.524 -23.850 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.811 4.137 -23.048 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -11.058 5.743 -23.774 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.621 6.789 -27.292 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.469 6.832 -25.519 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.036 6.519 -26.528 1.00 0.00 H new ATOM 604 N SER A 40 -7.743 4.447 -23.303 1.00 0.00 N ATOM 605 CA SER A 40 -7.068 3.913 -22.126 1.00 0.00 C ATOM 606 C SER A 40 -7.994 3.933 -20.913 1.00 0.00 C ATOM 607 O SER A 40 -8.953 4.701 -20.863 1.00 0.00 O ATOM 608 CB SER A 40 -5.802 4.719 -21.829 1.00 0.00 C ATOM 609 OG SER A 40 -5.968 6.080 -22.188 1.00 0.00 O ATOM 0 H SER A 40 -7.540 5.427 -23.498 1.00 0.00 H new ATOM 0 HA SER A 40 -6.792 2.879 -22.333 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.561 4.646 -20.768 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.960 4.295 -22.377 1.00 0.00 H new ATOM 0 HG SER A 40 -5.908 6.640 -21.386 1.00 0.00 H new ATOM 615 N GLY A 41 -7.697 3.082 -19.936 1.00 0.00 N ATOM 616 CA GLY A 41 -8.511 3.017 -18.736 1.00 0.00 C ATOM 617 C GLY A 41 -8.621 4.357 -18.036 1.00 0.00 C ATOM 618 O GLY A 41 -9.708 4.764 -17.627 1.00 0.00 O ATOM 0 H GLY A 41 -6.907 2.436 -19.954 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.509 2.664 -18.996 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.083 2.286 -18.050 1.00 0.00 H new ATOM 622 N ASP A 42 -7.492 5.044 -17.897 1.00 0.00 N ATOM 623 CA ASP A 42 -7.466 6.346 -17.241 1.00 0.00 C ATOM 624 C ASP A 42 -8.504 7.282 -17.850 1.00 0.00 C ATOM 625 O ASP A 42 -9.037 8.159 -17.170 1.00 0.00 O ATOM 626 CB ASP A 42 -6.073 6.968 -17.351 1.00 0.00 C ATOM 627 CG ASP A 42 -5.445 6.745 -18.713 1.00 0.00 C ATOM 628 OD1 ASP A 42 -5.791 7.489 -19.654 1.00 0.00 O ATOM 629 OD2 ASP A 42 -4.609 5.825 -18.838 1.00 0.00 O ATOM 0 H ASP A 42 -6.584 4.721 -18.230 1.00 0.00 H new ATOM 0 HA ASP A 42 -7.708 6.200 -16.188 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.140 8.038 -17.156 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.427 6.544 -16.582 1.00 0.00 H new ATOM 634 N GLN A 43 -8.786 7.090 -19.135 1.00 0.00 N ATOM 635 CA GLN A 43 -9.759 7.919 -19.835 1.00 0.00 C ATOM 636 C GLN A 43 -11.170 7.366 -19.663 1.00 0.00 C ATOM 637 O GLN A 43 -12.135 8.122 -19.547 1.00 0.00 O ATOM 638 CB GLN A 43 -9.411 8.006 -21.322 1.00 0.00 C ATOM 639 CG GLN A 43 -8.248 8.938 -21.621 1.00 0.00 C ATOM 640 CD GLN A 43 -8.574 9.948 -22.704 1.00 0.00 C ATOM 641 OE1 GLN A 43 -8.323 11.144 -22.549 1.00 0.00 O ATOM 642 NE2 GLN A 43 -9.135 9.472 -23.809 1.00 0.00 N ATOM 0 H GLN A 43 -8.354 6.368 -19.712 1.00 0.00 H new ATOM 0 HA GLN A 43 -9.725 8.919 -19.402 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -9.170 7.008 -21.689 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.288 8.345 -21.873 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -7.967 9.466 -20.710 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -7.384 8.348 -21.927 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -9.325 8.474 -23.895 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -9.376 10.105 -24.572 1.00 0.00 H new ATOM 651 N LEU A 44 -11.283 6.042 -19.646 1.00 0.00 N ATOM 652 CA LEU A 44 -12.577 5.387 -19.488 1.00 0.00 C ATOM 653 C LEU A 44 -13.165 5.669 -18.109 1.00 0.00 C ATOM 654 O LEU A 44 -14.333 6.041 -17.985 1.00 0.00 O ATOM 655 CB LEU A 44 -12.435 3.878 -19.695 1.00 0.00 C ATOM 656 CG LEU A 44 -13.680 3.040 -19.403 1.00 0.00 C ATOM 657 CD1 LEU A 44 -14.287 2.518 -20.696 1.00 0.00 C ATOM 658 CD2 LEU A 44 -13.341 1.889 -18.467 1.00 0.00 C ATOM 0 H LEU A 44 -10.495 5.402 -19.740 1.00 0.00 H new ATOM 0 HA LEU A 44 -13.255 5.789 -20.241 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -12.136 3.700 -20.728 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.624 3.519 -19.062 1.00 0.00 H new ATOM 0 HG LEU A 44 -14.416 3.676 -18.911 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -15.172 1.924 -20.469 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -14.567 3.358 -21.331 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.557 1.897 -21.216 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -14.239 1.303 -18.270 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.587 1.253 -18.931 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -12.953 2.285 -17.528 1.00 0.00 H new ATOM 670 N LEU A 45 -12.349 5.491 -17.076 1.00 0.00 N ATOM 671 CA LEU A 45 -12.788 5.729 -15.705 1.00 0.00 C ATOM 672 C LEU A 45 -13.322 7.148 -15.543 1.00 0.00 C ATOM 673 O LEU A 45 -14.149 7.415 -14.670 1.00 0.00 O ATOM 674 CB LEU A 45 -11.632 5.492 -14.731 1.00 0.00 C ATOM 675 CG LEU A 45 -11.998 4.822 -13.406 1.00 0.00 C ATOM 676 CD1 LEU A 45 -12.573 3.435 -13.651 1.00 0.00 C ATOM 677 CD2 LEU A 45 -10.782 4.744 -12.494 1.00 0.00 C ATOM 0 H LEU A 45 -11.380 5.183 -17.161 1.00 0.00 H new ATOM 0 HA LEU A 45 -13.594 5.030 -15.480 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.882 4.878 -15.231 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -11.164 6.452 -14.513 1.00 0.00 H new ATOM 0 HG LEU A 45 -12.759 5.427 -12.913 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -12.828 2.973 -12.697 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -13.469 3.516 -14.266 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -11.834 2.821 -14.166 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.061 4.264 -11.556 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.999 4.162 -12.980 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -10.414 5.750 -12.292 1.00 0.00 H new ATOM 689 N ARG A 46 -12.846 8.055 -16.390 1.00 0.00 N ATOM 690 CA ARG A 46 -13.277 9.447 -16.341 1.00 0.00 C ATOM 691 C ARG A 46 -13.908 9.868 -17.665 1.00 0.00 C ATOM 692 O ARG A 46 -13.864 11.040 -18.040 1.00 0.00 O ATOM 693 CB ARG A 46 -12.092 10.359 -16.016 1.00 0.00 C ATOM 694 CG ARG A 46 -11.080 10.468 -17.144 1.00 0.00 C ATOM 695 CD ARG A 46 -9.760 11.044 -16.655 1.00 0.00 C ATOM 696 NE ARG A 46 -9.619 12.456 -16.999 1.00 0.00 N ATOM 697 CZ ARG A 46 -8.684 13.248 -16.485 1.00 0.00 C ATOM 698 NH1 ARG A 46 -7.813 12.767 -15.609 1.00 0.00 N ATOM 699 NH2 ARG A 46 -8.620 14.522 -16.848 1.00 0.00 N ATOM 0 H ARG A 46 -12.162 7.851 -17.118 1.00 0.00 H new ATOM 0 HA ARG A 46 -14.026 9.542 -15.555 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.466 11.355 -15.777 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.590 9.984 -15.124 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.910 9.483 -17.578 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.483 11.100 -17.936 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.691 10.926 -15.574 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.935 10.480 -17.091 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.274 12.856 -17.671 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.860 11.787 -15.328 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.096 13.376 -15.216 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.289 14.894 -17.522 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.902 15.129 -16.453 1.00 0.00 H new ATOM 713 N ILE A 47 -14.494 8.904 -18.367 1.00 0.00 N ATOM 714 CA ILE A 47 -15.135 9.175 -19.648 1.00 0.00 C ATOM 715 C ILE A 47 -16.412 9.987 -19.464 1.00 0.00 C ATOM 716 O ILE A 47 -17.234 9.684 -18.598 1.00 0.00 O ATOM 717 CB ILE A 47 -15.471 7.872 -20.396 1.00 0.00 C ATOM 718 CG1 ILE A 47 -15.973 8.183 -21.808 1.00 0.00 C ATOM 719 CG2 ILE A 47 -16.509 7.071 -19.624 1.00 0.00 C ATOM 720 CD1 ILE A 47 -15.082 7.634 -22.901 1.00 0.00 C ATOM 0 H ILE A 47 -14.538 7.929 -18.071 1.00 0.00 H new ATOM 0 HA ILE A 47 -14.424 9.751 -20.240 1.00 0.00 H new ATOM 0 HB ILE A 47 -14.564 7.273 -20.477 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -16.976 7.772 -21.927 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -16.055 9.263 -21.926 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -16.736 6.153 -20.165 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -16.117 6.823 -18.637 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -17.418 7.663 -19.515 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -15.499 7.892 -23.874 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -14.085 8.064 -22.808 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -15.019 6.550 -22.809 1.00 0.00 H new ATOM 732 N THR A 48 -16.575 11.019 -20.285 1.00 0.00 N ATOM 733 CA THR A 48 -17.753 11.874 -20.213 1.00 0.00 C ATOM 734 C THR A 48 -18.547 11.827 -21.514 1.00 0.00 C ATOM 735 O THR A 48 -18.064 11.326 -22.530 1.00 0.00 O ATOM 736 CB THR A 48 -17.370 13.335 -19.912 1.00 0.00 C ATOM 737 OG1 THR A 48 -18.551 14.133 -19.769 1.00 0.00 O ATOM 738 CG2 THR A 48 -16.498 13.905 -21.020 1.00 0.00 C ATOM 0 H THR A 48 -15.906 11.283 -21.008 1.00 0.00 H new ATOM 0 HA THR A 48 -18.370 11.493 -19.399 1.00 0.00 H new ATOM 0 HB THR A 48 -16.805 13.354 -18.980 1.00 0.00 H new ATOM 0 HG1 THR A 48 -18.298 15.060 -19.576 1.00 0.00 H new ATOM 0 HG21 THR A 48 -16.240 14.938 -20.785 1.00 0.00 H new ATOM 0 HG22 THR A 48 -15.586 13.314 -21.106 1.00 0.00 H new ATOM 0 HG23 THR A 48 -17.042 13.872 -21.964 1.00 0.00 H new ATOM 746 N HIS A 49 -19.767 12.353 -21.477 1.00 0.00 N ATOM 747 CA HIS A 49 -20.628 12.372 -22.654 1.00 0.00 C ATOM 748 C HIS A 49 -19.924 13.040 -23.831 1.00 0.00 C ATOM 749 O HIS A 49 -20.129 12.663 -24.984 1.00 0.00 O ATOM 750 CB HIS A 49 -21.935 13.103 -22.345 1.00 0.00 C ATOM 751 CG HIS A 49 -23.093 12.183 -22.108 1.00 0.00 C ATOM 752 ND1 HIS A 49 -24.073 11.760 -22.942 1.00 0.00 N flip ATOM 753 CD2 HIS A 49 -23.344 11.587 -20.891 1.00 0.00 C flip ATOM 754 CE1 HIS A 49 -24.888 10.924 -22.220 1.00 0.00 C flip ATOM 755 NE2 HIS A 49 -24.427 10.836 -20.986 1.00 0.00 N flip ATOM 0 H HIS A 49 -20.182 12.772 -20.645 1.00 0.00 H new ATOM 0 HA HIS A 49 -20.853 11.341 -22.925 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -21.792 13.729 -21.464 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -22.174 13.769 -23.174 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -22.749 11.714 -19.999 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -25.764 10.420 -22.600 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -24.837 10.282 -20.234 1.00 0.00 H new ATOM 763 N GLN A 50 -19.094 14.034 -23.531 1.00 0.00 N ATOM 764 CA GLN A 50 -18.361 14.756 -24.565 1.00 0.00 C ATOM 765 C GLN A 50 -17.318 13.857 -25.221 1.00 0.00 C ATOM 766 O GLN A 50 -17.007 14.011 -26.401 1.00 0.00 O ATOM 767 CB GLN A 50 -17.685 15.993 -23.971 1.00 0.00 C ATOM 768 CG GLN A 50 -18.141 17.298 -24.603 1.00 0.00 C ATOM 769 CD GLN A 50 -18.753 18.251 -23.596 1.00 0.00 C ATOM 770 OE1 GLN A 50 -18.043 18.904 -22.831 1.00 0.00 O ATOM 771 NE2 GLN A 50 -20.078 18.337 -23.591 1.00 0.00 N ATOM 0 H GLN A 50 -18.912 14.358 -22.581 1.00 0.00 H new ATOM 0 HA GLN A 50 -19.073 15.071 -25.327 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -17.886 16.028 -22.900 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -16.606 15.899 -24.090 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -17.291 17.781 -25.084 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -18.870 17.084 -25.384 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -20.628 17.777 -24.243 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -20.546 18.963 -22.935 1.00 0.00 H new ATOM 780 N GLU A 51 -16.781 12.919 -24.446 1.00 0.00 N ATOM 781 CA GLU A 51 -15.772 11.996 -24.953 1.00 0.00 C ATOM 782 C GLU A 51 -16.412 10.906 -25.809 1.00 0.00 C ATOM 783 O GLU A 51 -15.933 10.596 -26.900 1.00 0.00 O ATOM 784 CB GLU A 51 -15.001 11.363 -23.794 1.00 0.00 C ATOM 785 CG GLU A 51 -13.997 12.301 -23.146 1.00 0.00 C ATOM 786 CD GLU A 51 -12.674 12.343 -23.886 1.00 0.00 C ATOM 787 OE1 GLU A 51 -12.674 12.719 -25.077 1.00 0.00 O ATOM 788 OE2 GLU A 51 -11.641 11.999 -23.276 1.00 0.00 O ATOM 0 H GLU A 51 -17.028 12.779 -23.466 1.00 0.00 H new ATOM 0 HA GLU A 51 -15.079 12.562 -25.575 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.710 11.026 -23.038 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.477 10.479 -24.157 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.418 13.306 -23.105 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -13.823 11.986 -22.117 1.00 0.00 H new ATOM 795 N LEU A 52 -17.497 10.328 -25.305 1.00 0.00 N ATOM 796 CA LEU A 52 -18.204 9.272 -26.022 1.00 0.00 C ATOM 797 C LEU A 52 -18.583 9.728 -27.427 1.00 0.00 C ATOM 798 O LEU A 52 -18.410 8.989 -28.396 1.00 0.00 O ATOM 799 CB LEU A 52 -19.459 8.858 -25.252 1.00 0.00 C ATOM 800 CG LEU A 52 -19.235 7.949 -24.042 1.00 0.00 C ATOM 801 CD1 LEU A 52 -20.533 7.752 -23.275 1.00 0.00 C ATOM 802 CD2 LEU A 52 -18.664 6.608 -24.481 1.00 0.00 C ATOM 0 H LEU A 52 -17.906 10.572 -24.403 1.00 0.00 H new ATOM 0 HA LEU A 52 -17.537 8.414 -26.106 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -19.968 9.761 -24.914 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -20.134 8.351 -25.942 1.00 0.00 H new ATOM 0 HG LEU A 52 -18.515 8.429 -23.379 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -20.354 7.103 -22.418 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -20.901 8.718 -22.928 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -21.276 7.294 -23.928 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -18.511 5.974 -23.608 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -19.360 6.122 -25.164 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -17.711 6.766 -24.986 1.00 0.00 H new ATOM 814 N GLU A 53 -19.099 10.949 -27.529 1.00 0.00 N ATOM 815 CA GLU A 53 -19.501 11.502 -28.817 1.00 0.00 C ATOM 816 C GLU A 53 -18.362 11.411 -29.828 1.00 0.00 C ATOM 817 O GLU A 53 -18.593 11.271 -31.029 1.00 0.00 O ATOM 818 CB GLU A 53 -19.940 12.959 -28.656 1.00 0.00 C ATOM 819 CG GLU A 53 -21.151 13.326 -29.497 1.00 0.00 C ATOM 820 CD GLU A 53 -21.299 14.824 -29.684 1.00 0.00 C ATOM 821 OE1 GLU A 53 -21.141 15.565 -28.692 1.00 0.00 O ATOM 822 OE2 GLU A 53 -21.572 15.254 -30.825 1.00 0.00 O ATOM 0 H GLU A 53 -19.248 11.573 -26.736 1.00 0.00 H new ATOM 0 HA GLU A 53 -20.341 10.916 -29.189 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -20.166 13.148 -27.607 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -19.110 13.612 -28.925 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -21.069 12.848 -30.473 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -22.050 12.932 -29.024 1.00 0.00 H new ATOM 829 N ASP A 54 -17.132 11.492 -29.333 1.00 0.00 N ATOM 830 CA ASP A 54 -15.955 11.418 -30.192 1.00 0.00 C ATOM 831 C ASP A 54 -15.749 9.998 -30.709 1.00 0.00 C ATOM 832 O ASP A 54 -15.358 9.796 -31.860 1.00 0.00 O ATOM 833 CB ASP A 54 -14.712 11.883 -29.431 1.00 0.00 C ATOM 834 CG ASP A 54 -13.564 12.233 -30.357 1.00 0.00 C ATOM 835 OD1 ASP A 54 -13.590 11.794 -31.526 1.00 0.00 O ATOM 836 OD2 ASP A 54 -12.639 12.944 -29.913 1.00 0.00 O ATOM 0 H ASP A 54 -16.924 11.609 -28.341 1.00 0.00 H new ATOM 0 HA ASP A 54 -16.116 12.076 -31.046 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.965 12.753 -28.825 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.395 11.098 -28.744 1.00 0.00 H new ATOM 841 N LEU A 55 -16.012 9.018 -29.853 1.00 0.00 N ATOM 842 CA LEU A 55 -15.854 7.615 -30.223 1.00 0.00 C ATOM 843 C LEU A 55 -16.878 7.213 -31.280 1.00 0.00 C ATOM 844 O LEU A 55 -16.627 6.326 -32.095 1.00 0.00 O ATOM 845 CB LEU A 55 -15.999 6.722 -28.990 1.00 0.00 C ATOM 846 CG LEU A 55 -14.729 6.500 -28.169 1.00 0.00 C ATOM 847 CD1 LEU A 55 -13.744 5.630 -28.934 1.00 0.00 C ATOM 848 CD2 LEU A 55 -14.091 7.832 -27.800 1.00 0.00 C ATOM 0 H LEU A 55 -16.336 9.168 -28.897 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.856 7.485 -30.642 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -16.757 7.157 -28.339 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -16.374 5.750 -29.312 1.00 0.00 H new ATOM 0 HG LEU A 55 -15.001 5.983 -27.249 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -12.846 5.483 -28.334 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -14.201 4.663 -29.146 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -13.478 6.119 -29.871 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -13.188 7.654 -27.216 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -13.834 8.376 -28.709 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -14.794 8.421 -27.211 1.00 0.00 H new ATOM 860 N GLY A 56 -18.032 7.872 -31.260 1.00 0.00 N ATOM 861 CA GLY A 56 -19.075 7.570 -32.222 1.00 0.00 C ATOM 862 C GLY A 56 -20.442 7.451 -31.578 1.00 0.00 C ATOM 863 O GLY A 56 -21.466 7.556 -32.253 1.00 0.00 O ATOM 0 H GLY A 56 -18.263 8.610 -30.595 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -19.102 8.351 -32.982 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.835 6.637 -32.732 1.00 0.00 H new ATOM 867 N VAL A 57 -20.459 7.231 -30.267 1.00 0.00 N ATOM 868 CA VAL A 57 -21.711 7.097 -29.531 1.00 0.00 C ATOM 869 C VAL A 57 -22.494 8.405 -29.535 1.00 0.00 C ATOM 870 O VAL A 57 -22.290 9.265 -28.679 1.00 0.00 O ATOM 871 CB VAL A 57 -21.461 6.666 -28.073 1.00 0.00 C ATOM 872 CG1 VAL A 57 -22.775 6.345 -27.378 1.00 0.00 C ATOM 873 CG2 VAL A 57 -20.518 5.473 -28.025 1.00 0.00 C ATOM 0 H VAL A 57 -19.621 7.142 -29.693 1.00 0.00 H new ATOM 0 HA VAL A 57 -22.294 6.327 -30.036 1.00 0.00 H new ATOM 0 HB VAL A 57 -20.990 7.494 -27.543 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -22.578 6.043 -26.349 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -23.413 7.229 -27.381 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -23.277 5.533 -27.905 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -20.352 5.182 -26.988 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -20.959 4.639 -28.570 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -19.566 5.743 -28.483 1.00 0.00 H new ATOM 883 N SER A 58 -23.391 8.548 -30.506 1.00 0.00 N ATOM 884 CA SER A 58 -24.203 9.753 -30.624 1.00 0.00 C ATOM 885 C SER A 58 -25.518 9.599 -29.865 1.00 0.00 C ATOM 886 O SER A 58 -25.983 10.533 -29.212 1.00 0.00 O ATOM 887 CB SER A 58 -24.484 10.061 -32.096 1.00 0.00 C ATOM 888 OG SER A 58 -25.760 9.581 -32.483 1.00 0.00 O ATOM 0 H SER A 58 -23.573 7.845 -31.222 1.00 0.00 H new ATOM 0 HA SER A 58 -23.646 10.581 -30.186 1.00 0.00 H new ATOM 0 HB2 SER A 58 -24.431 11.137 -32.262 1.00 0.00 H new ATOM 0 HB3 SER A 58 -23.716 9.604 -32.720 1.00 0.00 H new ATOM 0 HG SER A 58 -25.916 9.792 -33.427 1.00 0.00 H new ATOM 894 N ARG A 59 -26.111 8.413 -29.956 1.00 0.00 N ATOM 895 CA ARG A 59 -27.372 8.136 -29.280 1.00 0.00 C ATOM 896 C ARG A 59 -27.274 8.459 -27.792 1.00 0.00 C ATOM 897 O ARG A 59 -26.193 8.755 -27.281 1.00 0.00 O ATOM 898 CB ARG A 59 -27.766 6.670 -29.469 1.00 0.00 C ATOM 899 CG ARG A 59 -29.105 6.484 -30.163 1.00 0.00 C ATOM 900 CD ARG A 59 -28.928 6.085 -31.619 1.00 0.00 C ATOM 901 NE ARG A 59 -28.674 7.240 -32.476 1.00 0.00 N ATOM 902 CZ ARG A 59 -29.630 8.043 -32.929 1.00 0.00 C ATOM 903 NH1 ARG A 59 -30.896 7.819 -32.609 1.00 0.00 N ATOM 904 NH2 ARG A 59 -29.319 9.074 -33.704 1.00 0.00 N ATOM 0 H ARG A 59 -25.738 7.629 -30.491 1.00 0.00 H new ATOM 0 HA ARG A 59 -28.139 8.771 -29.723 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -26.993 6.167 -30.049 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -27.801 6.183 -28.494 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -29.682 5.720 -29.643 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -29.677 7.410 -30.106 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -28.100 5.381 -31.704 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -29.823 5.567 -31.964 1.00 0.00 H new ATOM 0 HE ARG A 59 -27.710 7.441 -32.741 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -31.139 7.028 -32.013 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -31.628 8.438 -32.959 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -28.345 9.250 -33.952 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -30.053 9.690 -34.052 1.00 0.00 H new ATOM 918 N ILE A 60 -28.408 8.400 -27.103 1.00 0.00 N ATOM 919 CA ILE A 60 -28.449 8.686 -25.674 1.00 0.00 C ATOM 920 C ILE A 60 -28.482 7.399 -24.857 1.00 0.00 C ATOM 921 O ILE A 60 -27.708 7.228 -23.916 1.00 0.00 O ATOM 922 CB ILE A 60 -29.672 9.546 -25.306 1.00 0.00 C ATOM 923 CG1 ILE A 60 -29.702 10.819 -26.155 1.00 0.00 C ATOM 924 CG2 ILE A 60 -29.652 9.891 -23.825 1.00 0.00 C ATOM 925 CD1 ILE A 60 -28.491 11.704 -25.959 1.00 0.00 C ATOM 0 H ILE A 60 -29.311 8.157 -27.511 1.00 0.00 H new ATOM 0 HA ILE A 60 -27.541 9.241 -25.437 1.00 0.00 H new ATOM 0 HB ILE A 60 -30.576 8.972 -25.513 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -29.774 10.543 -27.207 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -30.600 11.387 -25.912 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -30.523 10.499 -23.581 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -29.674 8.973 -23.237 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -28.744 10.448 -23.593 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -28.580 12.587 -26.591 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -28.429 12.010 -24.915 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -27.590 11.153 -26.229 1.00 0.00 H new ATOM 937 N GLY A 61 -29.384 6.494 -25.224 1.00 0.00 N ATOM 938 CA GLY A 61 -29.501 5.233 -24.516 1.00 0.00 C ATOM 939 C GLY A 61 -28.195 4.464 -24.482 1.00 0.00 C ATOM 940 O GLY A 61 -27.943 3.693 -23.555 1.00 0.00 O ATOM 0 H GLY A 61 -30.036 6.612 -25.999 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -29.834 5.422 -23.496 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -30.267 4.622 -24.993 1.00 0.00 H new ATOM 944 N HIS A 62 -27.361 4.672 -25.496 1.00 0.00 N ATOM 945 CA HIS A 62 -26.074 3.992 -25.579 1.00 0.00 C ATOM 946 C HIS A 62 -25.050 4.651 -24.660 1.00 0.00 C ATOM 947 O HIS A 62 -24.353 3.974 -23.905 1.00 0.00 O ATOM 948 CB HIS A 62 -25.561 3.998 -27.020 1.00 0.00 C ATOM 949 CG HIS A 62 -26.496 3.345 -27.991 1.00 0.00 C ATOM 950 ND1 HIS A 62 -26.596 3.726 -29.312 1.00 0.00 N ATOM 951 CD2 HIS A 62 -27.375 2.328 -27.826 1.00 0.00 C ATOM 952 CE1 HIS A 62 -27.497 2.974 -29.918 1.00 0.00 C ATOM 953 NE2 HIS A 62 -27.984 2.117 -29.039 1.00 0.00 N ATOM 0 H HIS A 62 -27.554 5.306 -26.271 1.00 0.00 H new ATOM 0 HA HIS A 62 -26.216 2.961 -25.256 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -25.388 5.028 -27.331 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -24.598 3.488 -27.056 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -27.562 1.785 -26.912 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -27.786 3.047 -30.956 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -28.697 1.413 -29.230 1.00 0.00 H new ATOM 961 N GLN A 63 -24.965 5.976 -24.730 1.00 0.00 N ATOM 962 CA GLN A 63 -24.025 6.726 -23.905 1.00 0.00 C ATOM 963 C GLN A 63 -24.173 6.351 -22.434 1.00 0.00 C ATOM 964 O GLN A 63 -23.198 6.350 -21.684 1.00 0.00 O ATOM 965 CB GLN A 63 -24.243 8.229 -24.085 1.00 0.00 C ATOM 966 CG GLN A 63 -23.802 8.750 -25.443 1.00 0.00 C ATOM 967 CD GLN A 63 -24.203 10.193 -25.673 1.00 0.00 C ATOM 968 OE1 GLN A 63 -25.328 10.593 -25.371 1.00 0.00 O ATOM 969 NE2 GLN A 63 -23.283 10.986 -26.211 1.00 0.00 N ATOM 0 H GLN A 63 -25.535 6.552 -25.349 1.00 0.00 H new ATOM 0 HA GLN A 63 -23.015 6.472 -24.226 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -25.300 8.454 -23.945 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -23.698 8.762 -23.306 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -22.719 8.660 -25.528 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -24.236 8.127 -26.225 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -22.363 10.613 -26.446 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -23.497 11.967 -26.389 1.00 0.00 H new ATOM 978 N GLU A 64 -25.399 6.033 -22.030 1.00 0.00 N ATOM 979 CA GLU A 64 -25.673 5.658 -20.648 1.00 0.00 C ATOM 980 C GLU A 64 -25.402 4.173 -20.423 1.00 0.00 C ATOM 981 O GLU A 64 -25.087 3.749 -19.310 1.00 0.00 O ATOM 982 CB GLU A 64 -27.124 5.983 -20.286 1.00 0.00 C ATOM 983 CG GLU A 64 -27.336 7.427 -19.862 1.00 0.00 C ATOM 984 CD GLU A 64 -27.981 7.544 -18.494 1.00 0.00 C ATOM 985 OE1 GLU A 64 -29.160 7.157 -18.358 1.00 0.00 O ATOM 986 OE2 GLU A 64 -27.305 8.023 -17.560 1.00 0.00 O ATOM 0 H GLU A 64 -26.217 6.028 -22.639 1.00 0.00 H new ATOM 0 HA GLU A 64 -25.008 6.233 -20.004 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -27.761 5.768 -21.144 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -27.444 5.325 -19.478 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -26.376 7.944 -19.853 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -27.962 7.930 -20.599 1.00 0.00 H new ATOM 993 N LEU A 65 -25.526 3.388 -21.487 1.00 0.00 N ATOM 994 CA LEU A 65 -25.295 1.949 -21.408 1.00 0.00 C ATOM 995 C LEU A 65 -23.858 1.651 -20.992 1.00 0.00 C ATOM 996 O LEU A 65 -23.616 0.840 -20.098 1.00 0.00 O ATOM 997 CB LEU A 65 -25.597 1.289 -22.754 1.00 0.00 C ATOM 998 CG LEU A 65 -26.947 0.580 -22.867 1.00 0.00 C ATOM 999 CD1 LEU A 65 -27.222 0.182 -24.308 1.00 0.00 C ATOM 1000 CD2 LEU A 65 -26.986 -0.640 -21.958 1.00 0.00 C ATOM 0 H LEU A 65 -25.785 3.723 -22.415 1.00 0.00 H new ATOM 0 HA LEU A 65 -25.965 1.539 -20.652 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -25.544 2.053 -23.530 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -24.810 0.565 -22.965 1.00 0.00 H new ATOM 0 HG LEU A 65 -27.727 1.271 -22.548 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -28.187 -0.321 -24.369 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -27.238 1.073 -24.935 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -26.439 -0.492 -24.655 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -27.954 -1.132 -22.051 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -26.197 -1.334 -22.246 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -26.835 -0.329 -20.924 1.00 0.00 H new ATOM 1012 N ILE A 66 -22.910 2.312 -21.646 1.00 0.00 N ATOM 1013 CA ILE A 66 -21.497 2.120 -21.342 1.00 0.00 C ATOM 1014 C ILE A 66 -21.154 2.661 -19.959 1.00 0.00 C ATOM 1015 O ILE A 66 -20.534 1.973 -19.147 1.00 0.00 O ATOM 1016 CB ILE A 66 -20.598 2.806 -22.387 1.00 0.00 C ATOM 1017 CG1 ILE A 66 -20.988 2.362 -23.798 1.00 0.00 C ATOM 1018 CG2 ILE A 66 -19.134 2.493 -22.114 1.00 0.00 C ATOM 1019 CD1 ILE A 66 -20.271 3.123 -24.892 1.00 0.00 C ATOM 0 H ILE A 66 -23.094 2.985 -22.390 1.00 0.00 H new ATOM 0 HA ILE A 66 -21.312 1.046 -21.365 1.00 0.00 H new ATOM 0 HB ILE A 66 -20.739 3.884 -22.313 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -20.775 1.299 -23.907 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -22.063 2.487 -23.925 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -18.511 2.985 -22.861 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -18.864 2.854 -21.122 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -18.977 1.416 -22.163 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -20.597 2.755 -25.865 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -20.503 4.185 -24.809 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -19.195 2.978 -24.791 1.00 0.00 H new ATOM 1031 N LEU A 67 -21.562 3.898 -19.695 1.00 0.00 N ATOM 1032 CA LEU A 67 -21.300 4.532 -18.408 1.00 0.00 C ATOM 1033 C LEU A 67 -21.884 3.708 -17.266 1.00 0.00 C ATOM 1034 O LEU A 67 -21.208 3.436 -16.275 1.00 0.00 O ATOM 1035 CB LEU A 67 -21.885 5.945 -18.385 1.00 0.00 C ATOM 1036 CG LEU A 67 -21.307 6.929 -19.403 1.00 0.00 C ATOM 1037 CD1 LEU A 67 -22.162 8.184 -19.479 1.00 0.00 C ATOM 1038 CD2 LEU A 67 -19.869 7.280 -19.048 1.00 0.00 C ATOM 0 H LEU A 67 -22.076 4.481 -20.355 1.00 0.00 H new ATOM 0 HA LEU A 67 -20.220 4.591 -18.273 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -22.960 5.874 -18.549 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -21.741 6.360 -17.387 1.00 0.00 H new ATOM 0 HG LEU A 67 -21.312 6.453 -20.383 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -21.735 8.872 -20.209 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -23.174 7.917 -19.782 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -22.191 8.664 -18.501 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -19.474 7.981 -19.783 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -19.840 7.736 -18.059 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -19.263 6.374 -19.048 1.00 0.00 H new ATOM 1050 N GLU A 68 -23.145 3.313 -17.413 1.00 0.00 N ATOM 1051 CA GLU A 68 -23.820 2.518 -16.393 1.00 0.00 C ATOM 1052 C GLU A 68 -22.991 1.292 -16.022 1.00 0.00 C ATOM 1053 O GLU A 68 -23.046 0.812 -14.890 1.00 0.00 O ATOM 1054 CB GLU A 68 -25.202 2.084 -16.885 1.00 0.00 C ATOM 1055 CG GLU A 68 -26.051 1.425 -15.811 1.00 0.00 C ATOM 1056 CD GLU A 68 -27.152 2.333 -15.299 1.00 0.00 C ATOM 1057 OE1 GLU A 68 -26.868 3.175 -14.423 1.00 0.00 O ATOM 1058 OE2 GLU A 68 -28.299 2.200 -15.776 1.00 0.00 O ATOM 0 H GLU A 68 -23.719 3.530 -18.228 1.00 0.00 H new ATOM 0 HA GLU A 68 -23.937 3.138 -15.504 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -25.731 2.955 -17.271 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -25.081 1.390 -17.717 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -26.494 0.513 -16.212 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -25.412 1.130 -14.979 1.00 0.00 H new ATOM 1065 N ALA A 69 -22.224 0.790 -16.984 1.00 0.00 N ATOM 1066 CA ALA A 69 -21.383 -0.378 -16.760 1.00 0.00 C ATOM 1067 C ALA A 69 -20.059 0.014 -16.112 1.00 0.00 C ATOM 1068 O ALA A 69 -19.477 -0.757 -15.348 1.00 0.00 O ATOM 1069 CB ALA A 69 -21.134 -1.110 -18.070 1.00 0.00 C ATOM 0 H ALA A 69 -22.168 1.175 -17.927 1.00 0.00 H new ATOM 0 HA ALA A 69 -21.908 -1.046 -16.078 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -20.504 -1.980 -17.886 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -22.085 -1.433 -18.493 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -20.634 -0.442 -18.771 1.00 0.00 H new ATOM 1075 N VAL A 70 -19.588 1.218 -16.421 1.00 0.00 N ATOM 1076 CA VAL A 70 -18.333 1.713 -15.869 1.00 0.00 C ATOM 1077 C VAL A 70 -18.429 1.887 -14.357 1.00 0.00 C ATOM 1078 O VAL A 70 -17.486 1.583 -13.626 1.00 0.00 O ATOM 1079 CB VAL A 70 -17.931 3.057 -16.505 1.00 0.00 C ATOM 1080 CG1 VAL A 70 -16.636 3.571 -15.894 1.00 0.00 C ATOM 1081 CG2 VAL A 70 -17.799 2.914 -18.013 1.00 0.00 C ATOM 0 H VAL A 70 -20.057 1.869 -17.051 1.00 0.00 H new ATOM 0 HA VAL A 70 -17.571 0.969 -16.099 1.00 0.00 H new ATOM 0 HB VAL A 70 -18.715 3.785 -16.300 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -16.368 4.521 -16.356 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -16.771 3.714 -14.822 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -15.840 2.847 -16.066 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -17.514 3.873 -18.446 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -17.035 2.171 -18.243 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -18.753 2.595 -18.433 1.00 0.00 H new ATOM 1091 N ASP A 71 -19.574 2.376 -13.895 1.00 0.00 N ATOM 1092 CA ASP A 71 -19.794 2.589 -12.469 1.00 0.00 C ATOM 1093 C ASP A 71 -19.487 1.322 -11.677 1.00 0.00 C ATOM 1094 O ASP A 71 -18.993 1.387 -10.550 1.00 0.00 O ATOM 1095 CB ASP A 71 -21.237 3.028 -12.215 1.00 0.00 C ATOM 1096 CG ASP A 71 -21.368 3.901 -10.982 1.00 0.00 C ATOM 1097 OD1 ASP A 71 -21.527 3.345 -9.875 1.00 0.00 O ATOM 1098 OD2 ASP A 71 -21.311 5.140 -11.125 1.00 0.00 O ATOM 0 H ASP A 71 -20.364 2.632 -14.487 1.00 0.00 H new ATOM 0 HA ASP A 71 -19.119 3.377 -12.135 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -21.606 3.573 -13.084 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -21.867 2.146 -12.101 1.00 0.00 H new ATOM 1103 N LEU A 72 -19.783 0.172 -12.272 1.00 0.00 N ATOM 1104 CA LEU A 72 -19.540 -1.111 -11.621 1.00 0.00 C ATOM 1105 C LEU A 72 -18.046 -1.412 -11.553 1.00 0.00 C ATOM 1106 O LEU A 72 -17.558 -1.965 -10.567 1.00 0.00 O ATOM 1107 CB LEU A 72 -20.264 -2.230 -12.370 1.00 0.00 C ATOM 1108 CG LEU A 72 -21.747 -2.408 -12.042 1.00 0.00 C ATOM 1109 CD1 LEU A 72 -22.456 -3.152 -13.163 1.00 0.00 C ATOM 1110 CD2 LEU A 72 -21.917 -3.142 -10.720 1.00 0.00 C ATOM 0 H LEU A 72 -20.192 0.101 -13.204 1.00 0.00 H new ATOM 0 HA LEU A 72 -19.927 -1.054 -10.604 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -20.169 -2.044 -13.440 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -19.751 -3.169 -12.163 1.00 0.00 H new ATOM 0 HG LEU A 72 -22.199 -1.421 -11.946 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -23.510 -3.269 -12.912 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -22.365 -2.586 -14.090 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -22.002 -4.135 -13.292 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -22.979 -3.260 -10.503 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -21.449 -4.124 -10.786 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -21.445 -2.569 -9.922 1.00 0.00 H new ATOM 1122 N LEU A 73 -17.325 -1.043 -12.606 1.00 0.00 N ATOM 1123 CA LEU A 73 -15.886 -1.272 -12.666 1.00 0.00 C ATOM 1124 C LEU A 73 -15.174 -0.568 -11.515 1.00 0.00 C ATOM 1125 O LEU A 73 -14.201 -1.084 -10.964 1.00 0.00 O ATOM 1126 CB LEU A 73 -15.326 -0.782 -14.002 1.00 0.00 C ATOM 1127 CG LEU A 73 -15.213 -1.831 -15.108 1.00 0.00 C ATOM 1128 CD1 LEU A 73 -14.920 -1.169 -16.445 1.00 0.00 C ATOM 1129 CD2 LEU A 73 -14.136 -2.851 -14.768 1.00 0.00 C ATOM 0 H LEU A 73 -17.714 -0.584 -13.430 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.710 -2.344 -12.577 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -15.958 0.030 -14.362 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -14.336 -0.361 -13.826 1.00 0.00 H new ATOM 0 HG LEU A 73 -16.167 -2.352 -15.186 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -14.843 -1.932 -17.220 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -15.726 -0.479 -16.694 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.980 -0.621 -16.381 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -14.070 -3.590 -15.567 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -13.176 -2.345 -14.661 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -14.389 -3.350 -13.832 1.00 0.00 H new