USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 670 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 31 ASN : amide:sc= -8.28! C(o=-9.1!,f=-7.8!) USER MOD Set 1.2: A 37 HIS : no HD1:sc= -1.54 K(o=-9.1,f=-9.8) USER MOD Set 1.3: A 82 CYS SG : rot -149:sc= 0.188 USER MOD Set 1.4: A 85 HIS : no HD1:sc= 0.519 K(o=-9.1,f=-9.9) USER MOD Single : A 1 ALA N :NH3+ -171:sc= 0.184 (180deg=0.161) USER MOD Single : A 4 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0212) USER MOD Single : A 7 SER OG : rot 180:sc= -0.0372 USER MOD Single : A 15 SER OG : rot 180:sc= -0.403 USER MOD Single : A 17 SER OG : rot 180:sc= 0.152 USER MOD Single : A 18 SER OG : rot -5:sc= 0.479! USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 153:sc= -2.48! (180deg=-3.77!) USER MOD Single : A 28 THR OG1 : rot 52:sc= 0.743 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.0656 X(o=-0.066,f=0.19) USER MOD Single : A 38 ASN : amide:sc= -7.73! C(o=-7.7!,f=-2.3!) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 80:sc= 2.05 USER MOD Single : A 57 GLN : amide:sc= -7.75! C(o=-7.8!,f=-8.4!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -1.8 K(o=-1.8,f=-0.56) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.63 USER MOD Single : A 75 LYS NZ :NH3+ -150:sc= -0.0208 (180deg=-0.635) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot -32:sc= 0.0665 USER MOD Single : A 79 LYS NZ :NH3+ 139:sc= 0.261 (180deg=-2.31!) USER MOD Single : A 81 TYR OH : rot -45:sc=0.000327 USER MOD Single : A 90 MET CE :methyl 140:sc= -1.43 (180deg=-3.29) USER MOD Single : A 91 LYS NZ :NH3+ 148:sc= -0.0703 (180deg=-0.665) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -3.18 K(o=-3.2,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -2.801 6.064 -31.193 1.00 0.00 N ATOM 2 CA ALA A 1 -3.605 7.204 -30.694 1.00 0.00 C ATOM 3 C ALA A 1 -4.866 6.696 -30.014 1.00 0.00 C ATOM 4 O ALA A 1 -5.700 6.069 -30.639 1.00 0.00 O ATOM 5 CB ALA A 1 -4.018 8.108 -31.867 1.00 0.00 C ATOM 0 H1 ALA A 1 -1.875 6.408 -31.518 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.665 5.374 -30.427 1.00 0.00 H new ATOM 0 H3 ALA A 1 -3.298 5.609 -31.985 1.00 0.00 H new ATOM 0 HA ALA A 1 -3.000 7.766 -29.983 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -4.609 8.944 -31.492 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -3.126 8.489 -32.365 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -4.612 7.533 -32.577 1.00 0.00 H new ATOM 13 N GLU A 2 -4.980 6.978 -28.740 1.00 0.00 N ATOM 14 CA GLU A 2 -6.179 6.528 -27.982 1.00 0.00 C ATOM 15 C GLU A 2 -7.021 7.720 -27.560 1.00 0.00 C ATOM 16 O GLU A 2 -6.565 8.572 -26.821 1.00 0.00 O ATOM 17 CB GLU A 2 -5.707 5.789 -26.721 1.00 0.00 C ATOM 18 CG GLU A 2 -4.925 4.534 -27.131 1.00 0.00 C ATOM 19 CD GLU A 2 -3.436 4.872 -27.218 1.00 0.00 C ATOM 20 OE1 GLU A 2 -2.871 5.107 -26.162 1.00 0.00 O ATOM 21 OE2 GLU A 2 -2.946 4.875 -28.335 1.00 0.00 O ATOM 0 H GLU A 2 -4.293 7.500 -28.196 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.780 5.876 -28.616 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -5.078 6.442 -26.117 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.563 5.513 -26.105 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -5.087 3.737 -26.405 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.283 4.166 -28.093 1.00 0.00 H new ATOM 28 N VAL A 3 -8.240 7.757 -28.034 1.00 0.00 N ATOM 29 CA VAL A 3 -9.134 8.889 -27.675 1.00 0.00 C ATOM 30 C VAL A 3 -10.128 8.470 -26.610 1.00 0.00 C ATOM 31 O VAL A 3 -10.915 7.567 -26.807 1.00 0.00 O ATOM 32 CB VAL A 3 -9.902 9.328 -28.932 1.00 0.00 C ATOM 33 CG1 VAL A 3 -10.846 10.478 -28.572 1.00 0.00 C ATOM 34 CG2 VAL A 3 -8.906 9.810 -29.990 1.00 0.00 C ATOM 0 H VAL A 3 -8.650 7.055 -28.650 1.00 0.00 H new ATOM 0 HA VAL A 3 -8.530 9.709 -27.286 1.00 0.00 H new ATOM 0 HB VAL A 3 -10.476 8.488 -29.322 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -11.392 10.792 -29.461 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -11.552 10.145 -27.811 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -10.267 11.317 -28.187 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -9.447 10.122 -30.883 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.337 10.653 -29.597 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -8.224 8.999 -30.244 1.00 0.00 H new ATOM 44 N LYS A 4 -10.073 9.137 -25.500 1.00 0.00 N ATOM 45 CA LYS A 4 -10.993 8.798 -24.402 1.00 0.00 C ATOM 46 C LYS A 4 -12.310 9.546 -24.545 1.00 0.00 C ATOM 47 O LYS A 4 -12.354 10.758 -24.397 1.00 0.00 O ATOM 48 CB LYS A 4 -10.338 9.236 -23.077 1.00 0.00 C ATOM 49 CG LYS A 4 -9.919 8.000 -22.260 1.00 0.00 C ATOM 50 CD LYS A 4 -8.753 7.278 -22.954 1.00 0.00 C ATOM 51 CE LYS A 4 -7.917 6.557 -21.893 1.00 0.00 C ATOM 52 NZ LYS A 4 -6.831 5.765 -22.534 1.00 0.00 N ATOM 0 H LYS A 4 -9.428 9.903 -25.309 1.00 0.00 H new ATOM 0 HA LYS A 4 -11.189 7.726 -24.423 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -9.467 9.859 -23.281 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -11.036 9.843 -22.501 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.624 8.302 -21.255 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.765 7.321 -22.153 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.133 6.564 -23.685 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.136 7.993 -23.498 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -7.487 7.284 -21.204 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.556 5.899 -21.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -6.327 5.216 -21.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -7.242 5.117 -23.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -6.164 6.409 -23.006 1.00 0.00 H new ATOM 66 N LEU A 5 -13.359 8.829 -24.857 1.00 0.00 N ATOM 67 CA LEU A 5 -14.668 9.496 -24.963 1.00 0.00 C ATOM 68 C LEU A 5 -15.210 9.779 -23.582 1.00 0.00 C ATOM 69 O LEU A 5 -15.681 8.890 -22.897 1.00 0.00 O ATOM 70 CB LEU A 5 -15.647 8.593 -25.693 1.00 0.00 C ATOM 71 CG LEU A 5 -15.162 8.362 -27.125 1.00 0.00 C ATOM 72 CD1 LEU A 5 -15.678 7.009 -27.621 1.00 0.00 C ATOM 73 CD2 LEU A 5 -15.710 9.472 -28.024 1.00 0.00 C ATOM 0 H LEU A 5 -13.357 7.825 -25.039 1.00 0.00 H new ATOM 0 HA LEU A 5 -14.543 10.429 -25.512 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -15.738 7.640 -25.171 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -16.638 9.047 -25.703 1.00 0.00 H new ATOM 0 HG LEU A 5 -14.072 8.370 -27.151 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -15.334 6.841 -28.642 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -15.300 6.216 -26.975 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -16.768 7.005 -27.600 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -15.368 9.314 -29.047 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -16.800 9.456 -27.999 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -15.353 10.438 -27.668 1.00 0.00 H new ATOM 85 N GLY A 6 -15.130 11.007 -23.202 1.00 0.00 N ATOM 86 CA GLY A 6 -15.620 11.406 -21.851 1.00 0.00 C ATOM 87 C GLY A 6 -14.440 11.635 -20.907 1.00 0.00 C ATOM 88 O GLY A 6 -13.791 10.700 -20.483 1.00 0.00 O ATOM 0 H GLY A 6 -14.745 11.766 -23.765 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -16.216 12.315 -21.927 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -16.271 10.630 -21.449 1.00 0.00 H new ATOM 92 N SER A 7 -14.184 12.875 -20.594 1.00 0.00 N ATOM 93 CA SER A 7 -13.058 13.173 -19.682 1.00 0.00 C ATOM 94 C SER A 7 -13.266 12.486 -18.337 1.00 0.00 C ATOM 95 O SER A 7 -14.364 12.452 -17.822 1.00 0.00 O ATOM 96 CB SER A 7 -13.008 14.691 -19.463 1.00 0.00 C ATOM 97 OG SER A 7 -14.007 14.932 -18.485 1.00 0.00 O ATOM 0 H SER A 7 -14.704 13.685 -20.930 1.00 0.00 H new ATOM 0 HA SER A 7 -12.128 12.811 -20.121 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.025 15.012 -19.117 1.00 0.00 H new ATOM 0 HB3 SER A 7 -13.214 15.234 -20.385 1.00 0.00 H new ATOM 0 HG SER A 7 -14.042 15.890 -18.282 1.00 0.00 H new ATOM 141 N LEU A 12 -17.948 16.154 -21.325 1.00 0.00 N ATOM 142 CA LEU A 12 -18.054 15.189 -22.447 1.00 0.00 C ATOM 143 C LEU A 12 -17.348 15.738 -23.673 1.00 0.00 C ATOM 144 O LEU A 12 -17.868 16.599 -24.353 1.00 0.00 O ATOM 145 CB LEU A 12 -19.540 14.995 -22.785 1.00 0.00 C ATOM 146 CG LEU A 12 -20.216 14.229 -21.651 1.00 0.00 C ATOM 147 CD1 LEU A 12 -21.542 14.905 -21.307 1.00 0.00 C ATOM 148 CD2 LEU A 12 -20.488 12.794 -22.102 1.00 0.00 C ATOM 0 HA LEU A 12 -17.595 14.244 -22.157 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -20.023 15.962 -22.925 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -19.644 14.448 -23.722 1.00 0.00 H new ATOM 0 HG LEU A 12 -19.567 14.223 -20.776 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -22.028 14.361 -20.497 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -21.356 15.932 -20.994 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -22.189 14.905 -22.184 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -20.971 12.244 -21.294 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -21.141 12.804 -22.975 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -19.546 12.309 -22.359 1.00 0.00 H new ATOM 160 N VAL A 13 -16.163 15.249 -23.928 1.00 0.00 N ATOM 161 CA VAL A 13 -15.422 15.743 -25.103 1.00 0.00 C ATOM 162 C VAL A 13 -14.522 14.666 -25.667 1.00 0.00 C ATOM 163 O VAL A 13 -14.209 13.693 -24.995 1.00 0.00 O ATOM 164 CB VAL A 13 -14.529 16.922 -24.659 1.00 0.00 C ATOM 165 CG1 VAL A 13 -15.405 18.147 -24.351 1.00 0.00 C ATOM 166 CG2 VAL A 13 -13.736 16.519 -23.400 1.00 0.00 C ATOM 0 H VAL A 13 -15.688 14.536 -23.374 1.00 0.00 H new ATOM 0 HA VAL A 13 -16.140 16.047 -25.865 1.00 0.00 H new ATOM 0 HB VAL A 13 -13.833 17.172 -25.460 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.772 18.977 -24.038 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -15.961 18.431 -25.245 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -16.104 17.902 -23.552 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -13.105 17.351 -23.086 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -14.430 16.267 -22.598 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -13.111 15.654 -23.625 1.00 0.00 H new ATOM 176 N PHE A 14 -14.136 14.841 -26.894 1.00 0.00 N ATOM 177 CA PHE A 14 -13.208 13.875 -27.490 1.00 0.00 C ATOM 178 C PHE A 14 -11.828 14.217 -26.977 1.00 0.00 C ATOM 179 O PHE A 14 -11.309 15.269 -27.286 1.00 0.00 O ATOM 180 CB PHE A 14 -13.227 14.039 -29.019 1.00 0.00 C ATOM 181 CG PHE A 14 -14.514 13.428 -29.601 1.00 0.00 C ATOM 182 CD1 PHE A 14 -15.705 14.141 -29.598 1.00 0.00 C ATOM 183 CD2 PHE A 14 -14.502 12.152 -30.142 1.00 0.00 C ATOM 184 CE1 PHE A 14 -16.853 13.581 -30.125 1.00 0.00 C ATOM 185 CE2 PHE A 14 -15.653 11.601 -30.666 1.00 0.00 C ATOM 186 CZ PHE A 14 -16.824 12.315 -30.656 1.00 0.00 C ATOM 0 H PHE A 14 -14.425 15.609 -27.500 1.00 0.00 H new ATOM 0 HA PHE A 14 -13.484 12.852 -27.234 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -13.167 15.096 -29.280 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -12.355 13.553 -29.455 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -15.734 15.137 -29.182 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -13.583 11.584 -30.153 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -17.776 14.141 -30.119 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -15.632 10.606 -31.085 1.00 0.00 H new ATOM 0 HZ PHE A 14 -17.724 11.881 -31.066 1.00 0.00 H new ATOM 196 N SER A 15 -11.264 13.345 -26.184 1.00 0.00 N ATOM 197 CA SER A 15 -9.930 13.645 -25.605 1.00 0.00 C ATOM 198 C SER A 15 -8.837 12.664 -26.123 1.00 0.00 C ATOM 199 O SER A 15 -8.864 11.503 -25.779 1.00 0.00 O ATOM 200 CB SER A 15 -10.079 13.465 -24.084 1.00 0.00 C ATOM 201 OG SER A 15 -11.220 14.246 -23.758 1.00 0.00 O ATOM 0 H SER A 15 -11.668 12.447 -25.916 1.00 0.00 H new ATOM 0 HA SER A 15 -9.619 14.651 -25.887 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.222 12.418 -23.818 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.193 13.811 -23.552 1.00 0.00 H new ATOM 0 HG SER A 15 -11.392 14.187 -22.795 1.00 0.00 H new ATOM 207 N PRO A 16 -7.870 13.141 -26.957 1.00 0.00 N ATOM 208 CA PRO A 16 -7.764 14.542 -27.432 1.00 0.00 C ATOM 209 C PRO A 16 -8.941 14.927 -28.327 1.00 0.00 C ATOM 210 O PRO A 16 -9.778 14.105 -28.642 1.00 0.00 O ATOM 211 CB PRO A 16 -6.473 14.575 -28.278 1.00 0.00 C ATOM 212 CG PRO A 16 -5.886 13.135 -28.298 1.00 0.00 C ATOM 213 CD PRO A 16 -6.813 12.250 -27.451 1.00 0.00 C ATOM 0 HA PRO A 16 -7.758 15.236 -26.591 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.688 14.915 -29.291 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.754 15.275 -27.853 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.825 12.760 -29.319 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.874 13.127 -27.894 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.231 11.439 -28.047 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.269 11.792 -26.625 1.00 0.00 H new ATOM 221 N SER A 17 -8.972 16.173 -28.729 1.00 0.00 N ATOM 222 CA SER A 17 -10.078 16.637 -29.612 1.00 0.00 C ATOM 223 C SER A 17 -9.645 16.598 -31.075 1.00 0.00 C ATOM 224 O SER A 17 -10.236 15.903 -31.885 1.00 0.00 O ATOM 225 CB SER A 17 -10.420 18.088 -29.231 1.00 0.00 C ATOM 226 OG SER A 17 -9.156 18.691 -28.989 1.00 0.00 O ATOM 0 H SER A 17 -8.282 16.883 -28.484 1.00 0.00 H new ATOM 0 HA SER A 17 -10.943 15.985 -29.485 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.956 18.595 -30.033 1.00 0.00 H new ATOM 0 HB3 SER A 17 -11.057 18.128 -28.347 1.00 0.00 H new ATOM 0 HG SER A 17 -9.284 19.630 -28.739 1.00 0.00 H new ATOM 232 N SER A 18 -8.621 17.357 -31.382 1.00 0.00 N ATOM 233 CA SER A 18 -8.100 17.384 -32.777 1.00 0.00 C ATOM 234 C SER A 18 -6.620 17.022 -32.781 1.00 0.00 C ATOM 235 O SER A 18 -5.870 17.490 -31.949 1.00 0.00 O ATOM 236 CB SER A 18 -8.262 18.812 -33.329 1.00 0.00 C ATOM 237 OG SER A 18 -7.273 19.563 -32.642 1.00 0.00 O ATOM 0 H SER A 18 -8.126 17.958 -30.723 1.00 0.00 H new ATOM 0 HA SER A 18 -8.649 16.669 -33.389 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.108 18.842 -34.408 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.262 19.202 -33.139 1.00 0.00 H new ATOM 0 HG SER A 18 -6.837 18.995 -31.973 1.00 0.00 H new ATOM 243 N PHE A 19 -6.213 16.197 -33.712 1.00 0.00 N ATOM 244 CA PHE A 19 -4.782 15.809 -33.740 1.00 0.00 C ATOM 245 C PHE A 19 -4.397 15.205 -35.078 1.00 0.00 C ATOM 246 O PHE A 19 -5.188 14.539 -35.715 1.00 0.00 O ATOM 247 CB PHE A 19 -4.548 14.761 -32.643 1.00 0.00 C ATOM 248 CG PHE A 19 -5.609 13.667 -32.756 1.00 0.00 C ATOM 249 CD1 PHE A 19 -6.847 13.824 -32.158 1.00 0.00 C ATOM 250 CD2 PHE A 19 -5.346 12.504 -33.460 1.00 0.00 C ATOM 251 CE1 PHE A 19 -7.803 12.835 -32.263 1.00 0.00 C ATOM 252 CE2 PHE A 19 -6.305 11.518 -33.563 1.00 0.00 C ATOM 253 CZ PHE A 19 -7.531 11.683 -32.965 1.00 0.00 C ATOM 0 H PHE A 19 -6.800 15.786 -34.438 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.174 16.699 -33.579 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.552 14.329 -32.743 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.595 15.230 -31.660 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.066 14.726 -31.606 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.384 12.368 -33.931 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.767 12.965 -31.793 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.092 10.614 -34.115 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.280 10.909 -33.046 1.00 0.00 H new ATOM 263 N THR A 20 -3.180 15.447 -35.481 1.00 0.00 N ATOM 264 CA THR A 20 -2.721 14.898 -36.768 1.00 0.00 C ATOM 265 C THR A 20 -2.106 13.516 -36.586 1.00 0.00 C ATOM 266 O THR A 20 -1.602 13.191 -35.529 1.00 0.00 O ATOM 267 CB THR A 20 -1.655 15.838 -37.333 1.00 0.00 C ATOM 268 OG1 THR A 20 -0.422 15.329 -36.867 1.00 0.00 O ATOM 269 CG2 THR A 20 -1.763 17.230 -36.696 1.00 0.00 C ATOM 0 H THR A 20 -2.492 16.000 -34.970 1.00 0.00 H new ATOM 0 HA THR A 20 -3.573 14.811 -37.442 1.00 0.00 H new ATOM 0 HB THR A 20 -1.757 15.904 -38.416 1.00 0.00 H new ATOM 0 HG1 THR A 20 0.310 15.890 -37.198 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.995 17.882 -37.113 1.00 0.00 H new ATOM 0 HG22 THR A 20 -2.747 17.650 -36.904 1.00 0.00 H new ATOM 0 HG23 THR A 20 -1.624 17.149 -35.618 1.00 0.00 H new ATOM 277 N VAL A 21 -2.157 12.723 -37.625 1.00 0.00 N ATOM 278 CA VAL A 21 -1.576 11.360 -37.533 1.00 0.00 C ATOM 279 C VAL A 21 -0.975 10.941 -38.869 1.00 0.00 C ATOM 280 O VAL A 21 -1.065 11.656 -39.845 1.00 0.00 O ATOM 281 CB VAL A 21 -2.694 10.371 -37.166 1.00 0.00 C ATOM 282 CG1 VAL A 21 -3.419 10.870 -35.916 1.00 0.00 C ATOM 283 CG2 VAL A 21 -3.689 10.283 -38.326 1.00 0.00 C ATOM 0 H VAL A 21 -2.574 12.962 -38.525 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.792 11.360 -36.775 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.266 9.387 -36.973 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.213 10.171 -35.652 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.711 10.944 -35.090 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.850 11.851 -36.113 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.484 9.583 -38.071 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.118 11.267 -38.513 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.174 9.936 -39.222 1.00 0.00 H new ATOM 293 N ALA A 22 -0.370 9.785 -38.887 1.00 0.00 N ATOM 294 CA ALA A 22 0.237 9.304 -40.150 1.00 0.00 C ATOM 295 C ALA A 22 -0.763 8.472 -40.942 1.00 0.00 C ATOM 296 O ALA A 22 -1.635 7.845 -40.375 1.00 0.00 O ATOM 297 CB ALA A 22 1.450 8.424 -39.804 1.00 0.00 C ATOM 0 H ALA A 22 -0.272 9.160 -38.086 1.00 0.00 H new ATOM 0 HA ALA A 22 0.537 10.162 -40.752 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.910 8.061 -40.723 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.177 9.011 -39.242 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.124 7.576 -39.201 1.00 0.00 H new ATOM 303 N ALA A 23 -0.621 8.486 -42.239 1.00 0.00 N ATOM 304 CA ALA A 23 -1.556 7.702 -43.085 1.00 0.00 C ATOM 305 C ALA A 23 -1.268 6.208 -42.978 1.00 0.00 C ATOM 306 O ALA A 23 -0.848 5.584 -43.932 1.00 0.00 O ATOM 307 CB ALA A 23 -1.367 8.139 -44.544 1.00 0.00 C ATOM 0 H ALA A 23 0.098 9.004 -42.744 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.577 7.883 -42.748 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.045 7.575 -45.184 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.583 9.203 -44.636 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.338 7.950 -44.850 1.00 0.00 H new ATOM 313 N GLY A 24 -1.503 5.663 -41.817 1.00 0.00 N ATOM 314 CA GLY A 24 -1.251 4.210 -41.622 1.00 0.00 C ATOM 315 C GLY A 24 -1.279 3.874 -40.134 1.00 0.00 C ATOM 316 O GLY A 24 -0.895 2.795 -39.728 1.00 0.00 O ATOM 0 H GLY A 24 -1.857 6.159 -40.999 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.006 3.627 -42.150 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.284 3.939 -42.047 1.00 0.00 H new ATOM 320 N GLU A 25 -1.740 4.813 -39.351 1.00 0.00 N ATOM 321 CA GLU A 25 -1.799 4.586 -37.886 1.00 0.00 C ATOM 322 C GLU A 25 -3.195 4.157 -37.454 1.00 0.00 C ATOM 323 O GLU A 25 -4.171 4.450 -38.114 1.00 0.00 O ATOM 324 CB GLU A 25 -1.454 5.910 -37.189 1.00 0.00 C ATOM 325 CG GLU A 25 -1.012 5.627 -35.749 1.00 0.00 C ATOM 326 CD GLU A 25 -0.491 6.919 -35.119 1.00 0.00 C ATOM 327 OE1 GLU A 25 0.352 7.531 -35.756 1.00 0.00 O ATOM 328 OE2 GLU A 25 -0.965 7.223 -34.037 1.00 0.00 O ATOM 0 H GLU A 25 -2.076 5.723 -39.665 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.097 3.797 -37.617 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.659 6.423 -37.731 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.320 6.572 -37.192 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.849 5.237 -35.169 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.234 4.864 -35.738 1.00 0.00 H new ATOM 335 N LYS A 26 -3.263 3.465 -36.348 1.00 0.00 N ATOM 336 CA LYS A 26 -4.584 3.005 -35.851 1.00 0.00 C ATOM 337 C LYS A 26 -5.149 3.976 -34.818 1.00 0.00 C ATOM 338 O LYS A 26 -4.452 4.392 -33.914 1.00 0.00 O ATOM 339 CB LYS A 26 -4.396 1.632 -35.187 1.00 0.00 C ATOM 340 CG LYS A 26 -3.981 0.615 -36.252 1.00 0.00 C ATOM 341 CD LYS A 26 -2.798 -0.218 -35.736 1.00 0.00 C ATOM 342 CE LYS A 26 -3.188 -0.937 -34.434 1.00 0.00 C ATOM 343 NZ LYS A 26 -4.661 -1.152 -34.363 1.00 0.00 N ATOM 0 H LYS A 26 -2.463 3.201 -35.773 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.279 2.948 -36.689 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -3.636 1.692 -34.408 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.322 1.317 -34.706 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.820 -0.037 -36.493 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.703 1.130 -37.172 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.501 -0.948 -36.489 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.937 0.427 -35.561 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.674 -1.896 -34.376 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.861 -0.348 -33.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.862 -1.984 -33.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.114 -0.314 -33.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.036 -1.308 -35.321 1.00 0.00 H new ATOM 357 N ILE A 27 -6.409 4.312 -34.975 1.00 0.00 N ATOM 358 CA ILE A 27 -7.056 5.249 -34.014 1.00 0.00 C ATOM 359 C ILE A 27 -8.159 4.527 -33.263 1.00 0.00 C ATOM 360 O ILE A 27 -9.148 4.128 -33.844 1.00 0.00 O ATOM 361 CB ILE A 27 -7.663 6.412 -34.798 1.00 0.00 C ATOM 362 CG1 ILE A 27 -6.576 7.422 -35.131 1.00 0.00 C ATOM 363 CG2 ILE A 27 -8.718 7.102 -33.914 1.00 0.00 C ATOM 364 CD1 ILE A 27 -6.907 8.097 -36.461 1.00 0.00 C ATOM 0 H ILE A 27 -7.012 3.976 -35.726 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.316 5.618 -33.303 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.115 6.040 -35.717 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -6.501 8.168 -34.340 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -5.608 6.925 -35.193 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -9.161 7.935 -34.459 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.496 6.386 -33.650 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -8.244 7.474 -33.006 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -6.130 8.822 -36.704 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.960 7.344 -37.248 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -7.867 8.607 -36.381 1.00 0.00 H new ATOM 376 N THR A 28 -7.970 4.376 -31.979 1.00 0.00 N ATOM 377 CA THR A 28 -8.978 3.653 -31.166 1.00 0.00 C ATOM 378 C THR A 28 -9.789 4.587 -30.284 1.00 0.00 C ATOM 379 O THR A 28 -9.258 5.237 -29.407 1.00 0.00 O ATOM 380 CB THR A 28 -8.231 2.668 -30.265 1.00 0.00 C ATOM 381 OG1 THR A 28 -7.341 3.460 -29.506 1.00 0.00 O ATOM 382 CG2 THR A 28 -7.320 1.753 -31.098 1.00 0.00 C ATOM 0 H THR A 28 -7.161 4.723 -31.463 1.00 0.00 H new ATOM 0 HA THR A 28 -9.670 3.153 -31.844 1.00 0.00 H new ATOM 0 HB THR A 28 -8.943 2.077 -29.689 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.835 4.191 -29.080 1.00 0.00 H new ATOM 0 HG21 THR A 28 -6.798 1.060 -30.438 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.923 1.190 -31.811 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.592 2.358 -31.637 1.00 0.00 H new ATOM 390 N PHE A 29 -11.069 4.632 -30.536 1.00 0.00 N ATOM 391 CA PHE A 29 -11.940 5.479 -29.696 1.00 0.00 C ATOM 392 C PHE A 29 -12.314 4.690 -28.464 1.00 0.00 C ATOM 393 O PHE A 29 -13.108 3.786 -28.538 1.00 0.00 O ATOM 394 CB PHE A 29 -13.221 5.810 -30.479 1.00 0.00 C ATOM 395 CG PHE A 29 -12.855 6.488 -31.799 1.00 0.00 C ATOM 396 CD1 PHE A 29 -12.344 7.773 -31.812 1.00 0.00 C ATOM 397 CD2 PHE A 29 -13.031 5.824 -33.000 1.00 0.00 C ATOM 398 CE1 PHE A 29 -12.015 8.382 -33.005 1.00 0.00 C ATOM 399 CE2 PHE A 29 -12.700 6.436 -34.190 1.00 0.00 C ATOM 400 CZ PHE A 29 -12.193 7.713 -34.192 1.00 0.00 C ATOM 0 H PHE A 29 -11.540 4.121 -31.283 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.426 6.400 -29.422 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -13.787 4.899 -30.671 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -13.862 6.464 -29.888 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.202 8.303 -30.882 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -13.430 4.820 -33.005 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -11.617 9.386 -33.006 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -12.840 5.910 -35.123 1.00 0.00 H new ATOM 0 HZ PHE A 29 -11.935 8.191 -35.126 1.00 0.00 H new ATOM 410 N LYS A 30 -11.745 5.049 -27.347 1.00 0.00 N ATOM 411 CA LYS A 30 -12.029 4.278 -26.115 1.00 0.00 C ATOM 412 C LYS A 30 -13.112 4.931 -25.299 1.00 0.00 C ATOM 413 O LYS A 30 -13.189 6.133 -25.218 1.00 0.00 O ATOM 414 CB LYS A 30 -10.739 4.227 -25.278 1.00 0.00 C ATOM 415 CG LYS A 30 -10.748 2.983 -24.381 1.00 0.00 C ATOM 416 CD LYS A 30 -9.372 2.827 -23.740 1.00 0.00 C ATOM 417 CE LYS A 30 -8.510 1.926 -24.628 1.00 0.00 C ATOM 418 NZ LYS A 30 -7.066 2.188 -24.393 1.00 0.00 N ATOM 0 H LYS A 30 -11.103 5.834 -27.238 1.00 0.00 H new ATOM 0 HA LYS A 30 -12.366 3.279 -26.391 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.869 4.206 -25.935 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.656 5.126 -24.667 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.514 3.079 -23.611 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.994 2.097 -24.967 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.899 3.802 -23.621 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.467 2.395 -22.744 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.734 0.880 -24.420 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.751 2.101 -25.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.497 1.568 -25.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.853 3.182 -24.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.836 1.998 -23.397 1.00 0.00 H new ATOM 432 N ASN A 31 -13.930 4.121 -24.706 1.00 0.00 N ATOM 433 CA ASN A 31 -15.024 4.659 -23.880 1.00 0.00 C ATOM 434 C ASN A 31 -14.659 4.598 -22.410 1.00 0.00 C ATOM 435 O ASN A 31 -14.384 3.532 -21.890 1.00 0.00 O ATOM 436 CB ASN A 31 -16.259 3.792 -24.122 1.00 0.00 C ATOM 437 CG ASN A 31 -17.383 4.278 -23.236 1.00 0.00 C ATOM 438 OD1 ASN A 31 -17.250 4.343 -22.033 1.00 0.00 O ATOM 439 ND2 ASN A 31 -18.508 4.631 -23.785 1.00 0.00 N ATOM 0 H ASN A 31 -13.885 3.103 -24.760 1.00 0.00 H new ATOM 0 HA ASN A 31 -15.212 5.699 -24.148 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -16.556 3.844 -25.169 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -16.034 2.748 -23.906 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -19.278 4.962 -23.203 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -18.621 4.577 -24.797 1.00 0.00 H new ATOM 446 N ASN A 32 -14.651 5.747 -21.753 1.00 0.00 N ATOM 447 CA ASN A 32 -14.290 5.749 -20.307 1.00 0.00 C ATOM 448 C ASN A 32 -15.270 6.567 -19.471 1.00 0.00 C ATOM 449 O ASN A 32 -15.209 6.537 -18.258 1.00 0.00 O ATOM 450 CB ASN A 32 -12.892 6.365 -20.163 1.00 0.00 C ATOM 451 CG ASN A 32 -12.997 7.884 -20.275 1.00 0.00 C ATOM 452 OD1 ASN A 32 -13.072 8.435 -21.356 1.00 0.00 O ATOM 453 ND2 ASN A 32 -13.006 8.600 -19.186 1.00 0.00 N ATOM 0 H ASN A 32 -14.875 6.658 -22.154 1.00 0.00 H new ATOM 0 HA ASN A 32 -14.319 4.721 -19.946 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -12.457 6.089 -19.202 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -12.229 5.977 -20.936 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -13.076 9.616 -19.244 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -12.943 8.144 -18.276 1.00 0.00 H new ATOM 460 N ALA A 33 -16.158 7.284 -20.110 1.00 0.00 N ATOM 461 CA ALA A 33 -17.112 8.086 -19.308 1.00 0.00 C ATOM 462 C ALA A 33 -18.257 8.650 -20.145 1.00 0.00 C ATOM 463 O ALA A 33 -18.052 9.199 -21.204 1.00 0.00 O ATOM 464 CB ALA A 33 -16.338 9.263 -18.697 1.00 0.00 C ATOM 0 H ALA A 33 -16.259 7.346 -21.123 1.00 0.00 H new ATOM 0 HA ALA A 33 -17.548 7.434 -18.550 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -17.015 9.873 -18.100 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -15.538 8.882 -18.063 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -15.911 9.871 -19.495 1.00 0.00 H new ATOM 470 N GLY A 34 -19.451 8.483 -19.649 1.00 0.00 N ATOM 471 CA GLY A 34 -20.634 9.053 -20.354 1.00 0.00 C ATOM 472 C GLY A 34 -21.082 8.235 -21.574 1.00 0.00 C ATOM 473 O GLY A 34 -21.098 8.744 -22.678 1.00 0.00 O ATOM 0 H GLY A 34 -19.659 7.978 -18.788 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -21.464 9.124 -19.651 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -20.400 10.068 -20.675 1.00 0.00 H new ATOM 477 N PHE A 35 -21.439 6.991 -21.361 1.00 0.00 N ATOM 478 CA PHE A 35 -21.949 6.179 -22.505 1.00 0.00 C ATOM 479 C PHE A 35 -23.484 6.212 -22.476 1.00 0.00 C ATOM 480 O PHE A 35 -24.063 6.595 -21.480 1.00 0.00 O ATOM 481 CB PHE A 35 -21.485 4.714 -22.357 1.00 0.00 C ATOM 482 CG PHE A 35 -20.635 4.511 -21.108 1.00 0.00 C ATOM 483 CD1 PHE A 35 -19.441 5.185 -20.952 1.00 0.00 C ATOM 484 CD2 PHE A 35 -21.045 3.636 -20.116 1.00 0.00 C ATOM 485 CE1 PHE A 35 -18.667 4.980 -19.831 1.00 0.00 C ATOM 486 CE2 PHE A 35 -20.272 3.436 -18.997 1.00 0.00 C ATOM 487 CZ PHE A 35 -19.083 4.106 -18.856 1.00 0.00 C ATOM 0 H PHE A 35 -21.400 6.512 -20.461 1.00 0.00 H new ATOM 0 HA PHE A 35 -21.569 6.587 -23.442 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -22.356 4.060 -22.314 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -20.912 4.424 -23.238 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -19.112 5.877 -21.713 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -21.980 3.106 -20.222 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -17.731 5.507 -19.718 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -20.601 2.752 -18.229 1.00 0.00 H new ATOM 0 HZ PHE A 35 -18.474 3.946 -17.978 1.00 0.00 H new ATOM 497 N PRO A 36 -24.132 5.811 -23.566 1.00 0.00 N ATOM 498 CA PRO A 36 -23.480 5.351 -24.807 1.00 0.00 C ATOM 499 C PRO A 36 -22.950 6.502 -25.664 1.00 0.00 C ATOM 500 O PRO A 36 -23.518 7.575 -25.688 1.00 0.00 O ATOM 501 CB PRO A 36 -24.612 4.655 -25.594 1.00 0.00 C ATOM 502 CG PRO A 36 -25.951 4.970 -24.860 1.00 0.00 C ATOM 503 CD PRO A 36 -25.595 5.739 -23.578 1.00 0.00 C ATOM 0 HA PRO A 36 -22.625 4.718 -24.571 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -24.643 5.016 -26.622 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -24.443 3.579 -25.639 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -26.608 5.564 -25.495 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -26.485 4.050 -24.621 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -26.038 6.735 -23.581 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -25.971 5.225 -22.693 1.00 0.00 H new ATOM 511 N HIS A 37 -21.863 6.244 -26.351 1.00 0.00 N ATOM 512 CA HIS A 37 -21.289 7.277 -27.256 1.00 0.00 C ATOM 513 C HIS A 37 -21.626 6.956 -28.704 1.00 0.00 C ATOM 514 O HIS A 37 -22.202 5.928 -28.996 1.00 0.00 O ATOM 515 CB HIS A 37 -19.766 7.292 -27.106 1.00 0.00 C ATOM 516 CG HIS A 37 -19.383 8.170 -25.934 1.00 0.00 C ATOM 517 ND1 HIS A 37 -19.670 9.499 -25.892 1.00 0.00 N ATOM 518 CD2 HIS A 37 -18.685 7.820 -24.810 1.00 0.00 C ATOM 519 CE1 HIS A 37 -19.118 9.849 -24.741 1.00 0.00 C ATOM 520 NE2 HIS A 37 -18.572 8.871 -24.153 1.00 0.00 N ATOM 0 H HIS A 37 -21.352 5.362 -26.321 1.00 0.00 H new ATOM 0 HA HIS A 37 -21.709 8.247 -26.989 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -19.395 6.279 -26.952 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -19.304 7.665 -28.020 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -18.312 6.841 -24.549 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -19.132 10.855 -24.349 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -18.098 8.936 -23.252 1.00 0.00 H new ATOM 528 N ASN A 38 -21.262 7.838 -29.589 1.00 0.00 N ATOM 529 CA ASN A 38 -21.552 7.588 -31.021 1.00 0.00 C ATOM 530 C ASN A 38 -20.512 8.258 -31.907 1.00 0.00 C ATOM 531 O ASN A 38 -20.287 9.443 -31.804 1.00 0.00 O ATOM 532 CB ASN A 38 -22.931 8.180 -31.343 1.00 0.00 C ATOM 533 CG ASN A 38 -23.498 7.487 -32.581 1.00 0.00 C ATOM 534 OD1 ASN A 38 -24.690 7.491 -32.817 1.00 0.00 O ATOM 535 ND2 ASN A 38 -22.679 6.882 -33.397 1.00 0.00 N ATOM 0 H ASN A 38 -20.780 8.713 -29.383 1.00 0.00 H new ATOM 0 HA ASN A 38 -21.531 6.515 -31.209 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -23.604 8.046 -30.496 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -22.848 9.253 -31.518 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -23.040 6.415 -34.229 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -21.678 6.876 -33.203 1.00 0.00 H new ATOM 542 N ILE A 39 -19.886 7.479 -32.761 1.00 0.00 N ATOM 543 CA ILE A 39 -18.854 8.057 -33.671 1.00 0.00 C ATOM 544 C ILE A 39 -19.371 8.119 -35.100 1.00 0.00 C ATOM 545 O ILE A 39 -19.638 7.103 -35.709 1.00 0.00 O ATOM 546 CB ILE A 39 -17.596 7.159 -33.663 1.00 0.00 C ATOM 547 CG1 ILE A 39 -17.590 6.199 -32.459 1.00 0.00 C ATOM 548 CG2 ILE A 39 -16.342 8.060 -33.588 1.00 0.00 C ATOM 549 CD1 ILE A 39 -17.484 6.990 -31.146 1.00 0.00 C ATOM 0 H ILE A 39 -20.046 6.477 -32.864 1.00 0.00 H new ATOM 0 HA ILE A 39 -18.618 9.061 -33.319 1.00 0.00 H new ATOM 0 HB ILE A 39 -17.597 6.562 -34.575 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -18.501 5.600 -32.458 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -16.753 5.506 -32.542 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -15.447 7.438 -33.582 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -16.318 8.722 -34.453 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -16.376 8.656 -32.676 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -17.481 6.298 -30.304 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -16.560 7.569 -31.144 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -18.335 7.665 -31.058 1.00 0.00 H new ATOM 561 N VAL A 40 -19.508 9.312 -35.609 1.00 0.00 N ATOM 562 CA VAL A 40 -19.994 9.460 -37.008 1.00 0.00 C ATOM 563 C VAL A 40 -19.235 10.572 -37.712 1.00 0.00 C ATOM 564 O VAL A 40 -18.931 11.590 -37.117 1.00 0.00 O ATOM 565 CB VAL A 40 -21.488 9.816 -36.972 1.00 0.00 C ATOM 566 CG1 VAL A 40 -22.110 9.513 -38.336 1.00 0.00 C ATOM 567 CG2 VAL A 40 -22.182 8.969 -35.902 1.00 0.00 C ATOM 0 H VAL A 40 -19.306 10.184 -35.121 1.00 0.00 H new ATOM 0 HA VAL A 40 -19.836 8.527 -37.548 1.00 0.00 H new ATOM 0 HB VAL A 40 -21.609 10.874 -36.739 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -23.171 9.764 -38.316 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -21.611 10.106 -39.103 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -21.992 8.453 -38.562 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -23.243 9.218 -35.872 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -22.064 7.912 -36.141 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -21.734 9.173 -34.929 1.00 0.00 H new ATOM 577 N PHE A 41 -18.940 10.359 -38.971 1.00 0.00 N ATOM 578 CA PHE A 41 -18.185 11.387 -39.727 1.00 0.00 C ATOM 579 C PHE A 41 -19.097 12.237 -40.589 1.00 0.00 C ATOM 580 O PHE A 41 -19.812 11.734 -41.433 1.00 0.00 O ATOM 581 CB PHE A 41 -17.175 10.678 -40.632 1.00 0.00 C ATOM 582 CG PHE A 41 -15.930 10.335 -39.813 1.00 0.00 C ATOM 583 CD1 PHE A 41 -15.945 9.265 -38.942 1.00 0.00 C ATOM 584 CD2 PHE A 41 -14.773 11.088 -39.931 1.00 0.00 C ATOM 585 CE1 PHE A 41 -14.825 8.947 -38.203 1.00 0.00 C ATOM 586 CE2 PHE A 41 -13.655 10.763 -39.189 1.00 0.00 C ATOM 587 CZ PHE A 41 -13.684 9.695 -38.329 1.00 0.00 C ATOM 0 H PHE A 41 -19.190 9.522 -39.498 1.00 0.00 H new ATOM 0 HA PHE A 41 -17.689 12.043 -39.011 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -17.614 9.771 -41.048 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -16.908 11.318 -41.473 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -16.841 8.672 -38.838 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -14.746 11.931 -40.605 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -14.847 8.107 -37.524 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.755 11.352 -39.286 1.00 0.00 H new ATOM 0 HZ PHE A 41 -12.807 9.444 -37.751 1.00 0.00 H new ATOM 597 N ASP A 42 -19.057 13.521 -40.358 1.00 0.00 N ATOM 598 CA ASP A 42 -19.898 14.428 -41.162 1.00 0.00 C ATOM 599 C ASP A 42 -19.453 14.400 -42.613 1.00 0.00 C ATOM 600 O ASP A 42 -18.377 14.857 -42.942 1.00 0.00 O ATOM 601 CB ASP A 42 -19.729 15.857 -40.622 1.00 0.00 C ATOM 602 CG ASP A 42 -21.094 16.546 -40.569 1.00 0.00 C ATOM 603 OD1 ASP A 42 -21.555 16.917 -41.635 1.00 0.00 O ATOM 604 OD2 ASP A 42 -21.598 16.664 -39.464 1.00 0.00 O ATOM 0 H ASP A 42 -18.479 13.972 -39.649 1.00 0.00 H new ATOM 0 HA ASP A 42 -20.939 14.111 -41.098 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -19.284 15.831 -39.627 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -19.049 16.421 -41.261 1.00 0.00 H new ATOM 609 N GLU A 43 -20.282 13.865 -43.459 1.00 0.00 N ATOM 610 CA GLU A 43 -19.911 13.803 -44.890 1.00 0.00 C ATOM 611 C GLU A 43 -19.837 15.201 -45.500 1.00 0.00 C ATOM 612 O GLU A 43 -19.746 15.351 -46.702 1.00 0.00 O ATOM 613 CB GLU A 43 -20.985 12.994 -45.631 1.00 0.00 C ATOM 614 CG GLU A 43 -22.336 13.211 -44.946 1.00 0.00 C ATOM 615 CD GLU A 43 -23.460 12.926 -45.945 1.00 0.00 C ATOM 616 OE1 GLU A 43 -23.632 13.760 -46.820 1.00 0.00 O ATOM 617 OE2 GLU A 43 -24.082 11.889 -45.779 1.00 0.00 O ATOM 0 H GLU A 43 -21.193 13.472 -43.222 1.00 0.00 H new ATOM 0 HA GLU A 43 -18.931 13.335 -44.982 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -21.038 13.306 -46.674 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -20.727 11.935 -45.628 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -22.428 12.555 -44.081 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -22.411 14.235 -44.579 1.00 0.00 H new ATOM 624 N ASP A 44 -19.878 16.203 -44.658 1.00 0.00 N ATOM 625 CA ASP A 44 -19.812 17.591 -45.177 1.00 0.00 C ATOM 626 C ASP A 44 -18.375 18.108 -45.189 1.00 0.00 C ATOM 627 O ASP A 44 -18.080 19.099 -45.827 1.00 0.00 O ATOM 628 CB ASP A 44 -20.653 18.487 -44.254 1.00 0.00 C ATOM 629 CG ASP A 44 -22.139 18.215 -44.502 1.00 0.00 C ATOM 630 OD1 ASP A 44 -22.506 18.236 -45.666 1.00 0.00 O ATOM 631 OD2 ASP A 44 -22.823 18.002 -43.515 1.00 0.00 O ATOM 0 H ASP A 44 -19.954 16.116 -43.645 1.00 0.00 H new ATOM 0 HA ASP A 44 -20.191 17.606 -46.199 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -20.404 18.290 -43.211 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -20.427 19.537 -44.442 1.00 0.00 H new ATOM 636 N GLU A 45 -17.505 17.426 -44.483 1.00 0.00 N ATOM 637 CA GLU A 45 -16.091 17.860 -44.447 1.00 0.00 C ATOM 638 C GLU A 45 -15.157 16.647 -44.476 1.00 0.00 C ATOM 639 O GLU A 45 -14.260 16.521 -43.666 1.00 0.00 O ATOM 640 CB GLU A 45 -15.872 18.647 -43.146 1.00 0.00 C ATOM 641 CG GLU A 45 -16.269 20.106 -43.376 1.00 0.00 C ATOM 642 CD GLU A 45 -16.051 20.898 -42.086 1.00 0.00 C ATOM 643 OE1 GLU A 45 -16.978 20.905 -41.294 1.00 0.00 O ATOM 644 OE2 GLU A 45 -14.969 21.451 -41.966 1.00 0.00 O ATOM 0 H GLU A 45 -17.721 16.593 -43.936 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.871 18.480 -45.316 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.467 18.217 -42.341 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.828 18.584 -42.839 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.675 20.534 -44.184 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.313 20.167 -43.682 1.00 0.00 H new ATOM 651 N VAL A 46 -15.403 15.776 -45.420 1.00 0.00 N ATOM 652 CA VAL A 46 -14.559 14.558 -45.558 1.00 0.00 C ATOM 653 C VAL A 46 -14.070 14.448 -47.027 1.00 0.00 C ATOM 654 O VAL A 46 -14.795 14.805 -47.935 1.00 0.00 O ATOM 655 CB VAL A 46 -15.462 13.335 -45.185 1.00 0.00 C ATOM 656 CG1 VAL A 46 -15.396 12.235 -46.265 1.00 0.00 C ATOM 657 CG2 VAL A 46 -14.995 12.749 -43.848 1.00 0.00 C ATOM 0 H VAL A 46 -16.156 15.859 -46.103 1.00 0.00 H new ATOM 0 HA VAL A 46 -13.684 14.594 -44.909 1.00 0.00 H new ATOM 0 HB VAL A 46 -16.492 13.685 -45.112 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -16.034 11.401 -45.974 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -15.739 12.639 -47.218 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -14.368 11.887 -46.367 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -15.622 11.897 -43.585 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -13.958 12.423 -43.936 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -15.072 13.509 -43.071 1.00 0.00 H new ATOM 667 N PRO A 47 -12.845 13.956 -47.247 1.00 0.00 N ATOM 668 CA PRO A 47 -12.318 13.838 -48.605 1.00 0.00 C ATOM 669 C PRO A 47 -13.318 13.176 -49.550 1.00 0.00 C ATOM 670 O PRO A 47 -14.128 12.368 -49.140 1.00 0.00 O ATOM 671 CB PRO A 47 -11.056 12.961 -48.467 1.00 0.00 C ATOM 672 CG PRO A 47 -10.807 12.744 -46.943 1.00 0.00 C ATOM 673 CD PRO A 47 -11.936 13.470 -46.190 1.00 0.00 C ATOM 0 HA PRO A 47 -12.107 14.819 -49.031 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -11.194 12.006 -48.974 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -10.198 13.447 -48.931 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -10.804 11.681 -46.701 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.834 13.140 -46.652 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -12.451 12.797 -45.505 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -11.547 14.295 -45.594 1.00 0.00 H new ATOM 681 N ALA A 48 -13.238 13.539 -50.805 1.00 0.00 N ATOM 682 CA ALA A 48 -14.171 12.954 -51.800 1.00 0.00 C ATOM 683 C ALA A 48 -13.716 11.563 -52.220 1.00 0.00 C ATOM 684 O ALA A 48 -13.666 11.248 -53.392 1.00 0.00 O ATOM 685 CB ALA A 48 -14.187 13.864 -53.041 1.00 0.00 C ATOM 0 H ALA A 48 -12.568 14.212 -51.177 1.00 0.00 H new ATOM 0 HA ALA A 48 -15.163 12.876 -51.355 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -14.868 13.452 -53.786 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -14.522 14.862 -52.756 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -13.183 13.924 -53.461 1.00 0.00 H new ATOM 691 N GLY A 49 -13.392 10.755 -51.253 1.00 0.00 N ATOM 692 CA GLY A 49 -12.938 9.374 -51.574 1.00 0.00 C ATOM 693 C GLY A 49 -13.141 8.464 -50.365 1.00 0.00 C ATOM 694 O GLY A 49 -13.615 7.352 -50.492 1.00 0.00 O ATOM 0 H GLY A 49 -13.421 10.987 -50.260 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -13.495 8.988 -52.428 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.886 9.385 -51.859 1.00 0.00 H new ATOM 698 N VAL A 50 -12.778 8.958 -49.218 1.00 0.00 N ATOM 699 CA VAL A 50 -12.944 8.149 -47.993 1.00 0.00 C ATOM 700 C VAL A 50 -14.366 8.279 -47.462 1.00 0.00 C ATOM 701 O VAL A 50 -14.640 9.082 -46.591 1.00 0.00 O ATOM 702 CB VAL A 50 -11.954 8.667 -46.941 1.00 0.00 C ATOM 703 CG1 VAL A 50 -12.080 7.829 -45.667 1.00 0.00 C ATOM 704 CG2 VAL A 50 -10.532 8.534 -47.493 1.00 0.00 C ATOM 0 H VAL A 50 -12.375 9.885 -49.080 1.00 0.00 H new ATOM 0 HA VAL A 50 -12.754 7.099 -48.215 1.00 0.00 H new ATOM 0 HB VAL A 50 -12.170 9.711 -46.712 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.377 8.196 -44.919 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -13.096 7.907 -45.279 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.857 6.786 -45.894 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.819 8.899 -46.754 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.323 7.487 -47.712 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.440 9.121 -48.407 1.00 0.00 H new ATOM 714 N ASN A 51 -15.249 7.480 -48.001 1.00 0.00 N ATOM 715 CA ASN A 51 -16.664 7.537 -47.558 1.00 0.00 C ATOM 716 C ASN A 51 -16.763 7.612 -46.041 1.00 0.00 C ATOM 717 O ASN A 51 -15.996 6.988 -45.334 1.00 0.00 O ATOM 718 CB ASN A 51 -17.369 6.261 -48.038 1.00 0.00 C ATOM 719 CG ASN A 51 -17.780 6.430 -49.502 1.00 0.00 C ATOM 720 OD1 ASN A 51 -18.714 7.141 -49.818 1.00 0.00 O ATOM 721 ND2 ASN A 51 -17.109 5.798 -50.426 1.00 0.00 N ATOM 0 H ASN A 51 -15.047 6.793 -48.727 1.00 0.00 H new ATOM 0 HA ASN A 51 -17.130 8.429 -47.977 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -16.705 5.403 -47.932 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -18.247 6.063 -47.423 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -17.369 5.902 -51.407 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -16.324 5.200 -50.167 1.00 0.00 H new ATOM 728 N ALA A 52 -17.710 8.374 -45.568 1.00 0.00 N ATOM 729 CA ALA A 52 -17.875 8.504 -44.102 1.00 0.00 C ATOM 730 C ALA A 52 -18.768 7.397 -43.556 1.00 0.00 C ATOM 731 O ALA A 52 -18.883 7.223 -42.361 1.00 0.00 O ATOM 732 CB ALA A 52 -18.535 9.860 -43.808 1.00 0.00 C ATOM 0 H ALA A 52 -18.371 8.907 -46.133 1.00 0.00 H new ATOM 0 HA ALA A 52 -16.897 8.430 -43.626 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -18.666 9.975 -42.732 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -17.901 10.663 -44.185 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -19.507 9.905 -44.298 1.00 0.00 H new ATOM 738 N GLU A 53 -19.385 6.665 -44.444 1.00 0.00 N ATOM 739 CA GLU A 53 -20.275 5.566 -43.991 1.00 0.00 C ATOM 740 C GLU A 53 -19.479 4.288 -43.748 1.00 0.00 C ATOM 741 O GLU A 53 -19.979 3.342 -43.173 1.00 0.00 O ATOM 742 CB GLU A 53 -21.313 5.301 -45.093 1.00 0.00 C ATOM 743 CG GLU A 53 -22.598 6.066 -44.766 1.00 0.00 C ATOM 744 CD GLU A 53 -23.580 5.926 -45.931 1.00 0.00 C ATOM 745 OE1 GLU A 53 -23.880 4.788 -46.252 1.00 0.00 O ATOM 746 OE2 GLU A 53 -23.975 6.965 -46.434 1.00 0.00 O ATOM 0 H GLU A 53 -19.310 6.781 -45.455 1.00 0.00 H new ATOM 0 HA GLU A 53 -20.757 5.858 -43.058 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -20.923 5.617 -46.061 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -21.519 4.233 -45.166 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.044 5.677 -43.851 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -22.374 7.118 -44.589 1.00 0.00 H new ATOM 753 N LYS A 54 -18.253 4.284 -44.193 1.00 0.00 N ATOM 754 CA LYS A 54 -17.411 3.079 -43.999 1.00 0.00 C ATOM 755 C LYS A 54 -16.583 3.189 -42.718 1.00 0.00 C ATOM 756 O LYS A 54 -16.368 2.210 -42.031 1.00 0.00 O ATOM 757 CB LYS A 54 -16.446 2.961 -45.199 1.00 0.00 C ATOM 758 CG LYS A 54 -16.996 1.944 -46.214 1.00 0.00 C ATOM 759 CD LYS A 54 -18.282 2.497 -46.851 1.00 0.00 C ATOM 760 CE LYS A 54 -19.453 1.553 -46.549 1.00 0.00 C ATOM 761 NZ LYS A 54 -20.658 1.951 -47.333 1.00 0.00 N ATOM 0 H LYS A 54 -17.803 5.060 -44.679 1.00 0.00 H new ATOM 0 HA LYS A 54 -18.058 2.205 -43.923 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -16.323 3.934 -45.675 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -15.460 2.648 -44.855 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -16.252 1.746 -46.985 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -17.202 0.995 -45.719 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -18.494 3.492 -46.461 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -18.152 2.598 -47.928 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -19.174 0.528 -46.794 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -19.681 1.576 -45.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -21.442 1.303 -47.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -20.932 2.922 -47.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -20.441 1.907 -48.349 1.00 0.00 H new ATOM 775 N ILE A 55 -16.135 4.380 -42.417 1.00 0.00 N ATOM 776 CA ILE A 55 -15.317 4.560 -41.186 1.00 0.00 C ATOM 777 C ILE A 55 -16.199 4.881 -39.978 1.00 0.00 C ATOM 778 O ILE A 55 -15.796 4.687 -38.848 1.00 0.00 O ATOM 779 CB ILE A 55 -14.327 5.718 -41.414 1.00 0.00 C ATOM 780 CG1 ILE A 55 -14.906 6.714 -42.417 1.00 0.00 C ATOM 781 CG2 ILE A 55 -13.023 5.128 -41.995 1.00 0.00 C ATOM 782 CD1 ILE A 55 -14.290 8.107 -42.182 1.00 0.00 C ATOM 0 H ILE A 55 -16.299 5.225 -42.964 1.00 0.00 H new ATOM 0 HA ILE A 55 -14.783 3.632 -40.982 1.00 0.00 H new ATOM 0 HB ILE A 55 -14.138 6.231 -40.471 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -14.700 6.382 -43.434 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -15.990 6.763 -42.311 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -12.305 5.930 -42.165 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -12.604 4.409 -41.291 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -13.239 4.628 -42.939 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -14.706 8.814 -42.900 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -14.519 8.440 -41.170 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -13.209 8.053 -42.310 1.00 0.00 H new ATOM 794 N SER A 56 -17.384 5.368 -40.235 1.00 0.00 N ATOM 795 CA SER A 56 -18.297 5.692 -39.113 1.00 0.00 C ATOM 796 C SER A 56 -18.883 4.424 -38.496 1.00 0.00 C ATOM 797 O SER A 56 -18.619 3.326 -38.945 1.00 0.00 O ATOM 798 CB SER A 56 -19.452 6.544 -39.662 1.00 0.00 C ATOM 799 OG SER A 56 -18.850 7.792 -39.972 1.00 0.00 O ATOM 0 H SER A 56 -17.753 5.553 -41.168 1.00 0.00 H new ATOM 0 HA SER A 56 -17.736 6.226 -38.346 1.00 0.00 H new ATOM 0 HB2 SER A 56 -19.898 6.087 -40.545 1.00 0.00 H new ATOM 0 HB3 SER A 56 -20.247 6.658 -38.926 1.00 0.00 H new ATOM 0 HG SER A 56 -18.382 7.725 -40.831 1.00 0.00 H new ATOM 805 N GLN A 57 -19.672 4.607 -37.475 1.00 0.00 N ATOM 806 CA GLN A 57 -20.301 3.443 -36.806 1.00 0.00 C ATOM 807 C GLN A 57 -21.537 3.895 -36.018 1.00 0.00 C ATOM 808 O GLN A 57 -21.488 4.022 -34.810 1.00 0.00 O ATOM 809 CB GLN A 57 -19.286 2.835 -35.818 1.00 0.00 C ATOM 810 CG GLN A 57 -18.722 3.935 -34.919 1.00 0.00 C ATOM 811 CD GLN A 57 -17.221 4.073 -35.178 1.00 0.00 C ATOM 812 OE1 GLN A 57 -16.798 4.448 -36.253 1.00 0.00 O ATOM 813 NE2 GLN A 57 -16.386 3.780 -34.219 1.00 0.00 N ATOM 0 H GLN A 57 -19.907 5.516 -37.076 1.00 0.00 H new ATOM 0 HA GLN A 57 -20.597 2.711 -37.557 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -19.768 2.068 -35.212 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -18.478 2.348 -36.365 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -19.227 4.880 -35.120 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -18.902 3.694 -33.871 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -16.738 3.465 -33.315 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -15.381 3.866 -34.373 1.00 0.00 H new ATOM 822 N PRO A 58 -22.644 4.138 -36.720 1.00 0.00 N ATOM 823 CA PRO A 58 -23.864 4.596 -36.067 1.00 0.00 C ATOM 824 C PRO A 58 -24.328 3.616 -34.995 1.00 0.00 C ATOM 825 O PRO A 58 -25.328 3.837 -34.342 1.00 0.00 O ATOM 826 CB PRO A 58 -24.911 4.697 -37.195 1.00 0.00 C ATOM 827 CG PRO A 58 -24.170 4.414 -38.536 1.00 0.00 C ATOM 828 CD PRO A 58 -22.745 3.959 -38.180 1.00 0.00 C ATOM 0 HA PRO A 58 -23.708 5.547 -35.559 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -25.715 3.977 -37.040 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -25.368 5.687 -37.209 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -24.688 3.644 -39.107 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -24.144 5.309 -39.158 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -22.580 2.919 -38.463 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -21.997 4.555 -38.704 1.00 0.00 H new ATOM 836 N GLU A 59 -23.594 2.547 -34.834 1.00 0.00 N ATOM 837 CA GLU A 59 -23.970 1.563 -33.792 1.00 0.00 C ATOM 838 C GLU A 59 -23.484 2.035 -32.429 1.00 0.00 C ATOM 839 O GLU A 59 -22.366 1.765 -32.037 1.00 0.00 O ATOM 840 CB GLU A 59 -23.302 0.220 -34.120 1.00 0.00 C ATOM 841 CG GLU A 59 -23.777 -0.254 -35.494 1.00 0.00 C ATOM 842 CD GLU A 59 -24.637 -1.508 -35.327 1.00 0.00 C ATOM 843 OE1 GLU A 59 -25.614 -1.401 -34.604 1.00 0.00 O ATOM 844 OE2 GLU A 59 -24.270 -2.502 -35.931 1.00 0.00 O ATOM 0 H GLU A 59 -22.760 2.319 -35.375 1.00 0.00 H new ATOM 0 HA GLU A 59 -25.054 1.456 -33.769 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -22.217 0.328 -34.114 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -23.553 -0.520 -33.360 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -24.351 0.532 -35.984 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -22.921 -0.469 -36.133 1.00 0.00 H new ATOM 851 N TYR A 60 -24.337 2.735 -31.734 1.00 0.00 N ATOM 852 CA TYR A 60 -23.959 3.254 -30.400 1.00 0.00 C ATOM 853 C TYR A 60 -23.169 2.224 -29.603 1.00 0.00 C ATOM 854 O TYR A 60 -23.186 1.050 -29.913 1.00 0.00 O ATOM 855 CB TYR A 60 -25.249 3.575 -29.645 1.00 0.00 C ATOM 856 CG TYR A 60 -26.153 4.429 -30.535 1.00 0.00 C ATOM 857 CD1 TYR A 60 -26.035 5.805 -30.537 1.00 0.00 C ATOM 858 CD2 TYR A 60 -27.096 3.838 -31.349 1.00 0.00 C ATOM 859 CE1 TYR A 60 -26.850 6.576 -31.340 1.00 0.00 C ATOM 860 CE2 TYR A 60 -27.911 4.609 -32.153 1.00 0.00 C ATOM 861 CZ TYR A 60 -27.793 5.983 -32.155 1.00 0.00 C ATOM 862 OH TYR A 60 -28.608 6.755 -32.960 1.00 0.00 O ATOM 0 H TYR A 60 -25.282 2.968 -32.038 1.00 0.00 H new ATOM 0 HA TYR A 60 -23.332 4.137 -30.525 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -25.760 2.654 -29.365 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -25.021 4.106 -28.721 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -25.299 6.281 -29.905 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -27.198 2.763 -31.358 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -26.749 7.651 -31.331 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -28.646 4.133 -32.785 1.00 0.00 H new ATOM 0 HH TYR A 60 -29.212 6.174 -33.468 1.00 0.00 H new ATOM 872 N LEU A 61 -22.487 2.693 -28.585 1.00 0.00 N ATOM 873 CA LEU A 61 -21.684 1.769 -27.742 1.00 0.00 C ATOM 874 C LEU A 61 -21.900 2.070 -26.269 1.00 0.00 C ATOM 875 O LEU A 61 -21.443 3.077 -25.767 1.00 0.00 O ATOM 876 CB LEU A 61 -20.192 1.963 -28.070 1.00 0.00 C ATOM 877 CG LEU A 61 -19.901 3.449 -28.273 1.00 0.00 C ATOM 878 CD1 LEU A 61 -18.521 3.773 -27.696 1.00 0.00 C ATOM 879 CD2 LEU A 61 -19.901 3.761 -29.770 1.00 0.00 C ATOM 0 H LEU A 61 -22.455 3.674 -28.307 1.00 0.00 H new ATOM 0 HA LEU A 61 -21.994 0.744 -27.947 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -19.577 1.569 -27.261 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -19.931 1.405 -28.969 1.00 0.00 H new ATOM 0 HG LEU A 61 -20.663 4.045 -27.771 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -18.307 4.832 -27.838 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -18.508 3.539 -26.631 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -17.764 3.178 -28.207 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -19.694 4.820 -29.921 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -19.133 3.167 -30.265 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -20.876 3.518 -30.192 1.00 0.00 H new ATOM 891 N ASN A 62 -22.597 1.184 -25.602 1.00 0.00 N ATOM 892 CA ASN A 62 -22.865 1.389 -24.154 1.00 0.00 C ATOM 893 C ASN A 62 -21.991 0.477 -23.304 1.00 0.00 C ATOM 894 O ASN A 62 -22.108 0.452 -22.095 1.00 0.00 O ATOM 895 CB ASN A 62 -24.337 1.046 -23.888 1.00 0.00 C ATOM 896 CG ASN A 62 -24.906 0.302 -25.097 1.00 0.00 C ATOM 897 OD1 ASN A 62 -25.002 -0.908 -25.105 1.00 0.00 O ATOM 898 ND2 ASN A 62 -25.294 0.988 -26.138 1.00 0.00 N ATOM 0 H ASN A 62 -22.989 0.331 -26.000 1.00 0.00 H new ATOM 0 HA ASN A 62 -22.644 2.424 -23.893 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -24.423 0.430 -22.993 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -24.908 1.956 -23.704 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -25.676 0.507 -26.952 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -25.216 2.005 -26.137 1.00 0.00 H new ATOM 905 N GLY A 63 -21.128 -0.257 -23.951 1.00 0.00 N ATOM 906 CA GLY A 63 -20.237 -1.179 -23.191 1.00 0.00 C ATOM 907 C GLY A 63 -19.149 -0.391 -22.456 1.00 0.00 C ATOM 908 O GLY A 63 -18.332 0.269 -23.068 1.00 0.00 O ATOM 0 H GLY A 63 -21.001 -0.259 -24.963 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.825 -1.753 -22.475 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.778 -1.894 -23.873 1.00 0.00 H new ATOM 912 N ALA A 64 -19.162 -0.481 -21.154 1.00 0.00 N ATOM 913 CA ALA A 64 -18.143 0.249 -20.357 1.00 0.00 C ATOM 914 C ALA A 64 -16.734 -0.194 -20.734 1.00 0.00 C ATOM 915 O ALA A 64 -16.324 -1.295 -20.422 1.00 0.00 O ATOM 916 CB ALA A 64 -18.378 -0.068 -18.873 1.00 0.00 C ATOM 0 H ALA A 64 -19.832 -1.027 -20.612 1.00 0.00 H new ATOM 0 HA ALA A 64 -18.235 1.317 -20.554 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -17.640 0.458 -18.267 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -19.379 0.254 -18.586 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -18.282 -1.142 -18.711 1.00 0.00 H new ATOM 922 N GLY A 65 -16.020 0.673 -21.403 1.00 0.00 N ATOM 923 CA GLY A 65 -14.627 0.324 -21.804 1.00 0.00 C ATOM 924 C GLY A 65 -14.579 -0.130 -23.266 1.00 0.00 C ATOM 925 O GLY A 65 -13.517 -0.351 -23.810 1.00 0.00 O ATOM 0 H GLY A 65 -16.338 1.600 -21.687 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.977 1.188 -21.665 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.246 -0.468 -21.160 1.00 0.00 H new ATOM 929 N GLU A 66 -15.729 -0.262 -23.873 1.00 0.00 N ATOM 930 CA GLU A 66 -15.748 -0.700 -25.297 1.00 0.00 C ATOM 931 C GLU A 66 -15.034 0.314 -26.181 1.00 0.00 C ATOM 932 O GLU A 66 -15.022 1.493 -25.882 1.00 0.00 O ATOM 933 CB GLU A 66 -17.207 -0.814 -25.758 1.00 0.00 C ATOM 934 CG GLU A 66 -17.288 -1.811 -26.918 1.00 0.00 C ATOM 935 CD GLU A 66 -18.718 -1.840 -27.462 1.00 0.00 C ATOM 936 OE1 GLU A 66 -19.530 -1.137 -26.888 1.00 0.00 O ATOM 937 OE2 GLU A 66 -18.915 -2.566 -28.424 1.00 0.00 O ATOM 0 H GLU A 66 -16.642 -0.088 -23.452 1.00 0.00 H new ATOM 0 HA GLU A 66 -15.239 -1.660 -25.378 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -17.838 -1.145 -24.933 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.579 0.161 -26.073 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.592 -1.525 -27.707 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.995 -2.805 -26.579 1.00 0.00 H new ATOM 944 N THR A 67 -14.447 -0.162 -27.256 1.00 0.00 N ATOM 945 CA THR A 67 -13.724 0.767 -28.166 1.00 0.00 C ATOM 946 C THR A 67 -13.942 0.402 -29.631 1.00 0.00 C ATOM 947 O THR A 67 -14.390 -0.683 -29.944 1.00 0.00 O ATOM 948 CB THR A 67 -12.223 0.673 -27.869 1.00 0.00 C ATOM 949 OG1 THR A 67 -11.712 -0.233 -28.827 1.00 0.00 O ATOM 950 CG2 THR A 67 -11.968 -0.013 -26.517 1.00 0.00 C ATOM 0 H THR A 67 -14.440 -1.143 -27.535 1.00 0.00 H new ATOM 0 HA THR A 67 -14.105 1.774 -27.997 1.00 0.00 H new ATOM 0 HB THR A 67 -11.783 1.670 -27.877 1.00 0.00 H new ATOM 0 HG1 THR A 67 -10.747 -0.340 -28.694 1.00 0.00 H new ATOM 0 HG21 THR A 67 -10.895 -0.066 -26.332 1.00 0.00 H new ATOM 0 HG22 THR A 67 -12.445 0.561 -25.722 1.00 0.00 H new ATOM 0 HG23 THR A 67 -12.383 -1.021 -26.536 1.00 0.00 H new ATOM 958 N TYR A 68 -13.617 1.330 -30.502 1.00 0.00 N ATOM 959 CA TYR A 68 -13.780 1.071 -31.960 1.00 0.00 C ATOM 960 C TYR A 68 -12.544 1.569 -32.703 1.00 0.00 C ATOM 961 O TYR A 68 -12.119 2.690 -32.506 1.00 0.00 O ATOM 962 CB TYR A 68 -15.013 1.840 -32.461 1.00 0.00 C ATOM 963 CG TYR A 68 -15.386 1.346 -33.867 1.00 0.00 C ATOM 964 CD1 TYR A 68 -14.639 1.711 -34.972 1.00 0.00 C ATOM 965 CD2 TYR A 68 -16.483 0.527 -34.046 1.00 0.00 C ATOM 966 CE1 TYR A 68 -14.988 1.259 -36.233 1.00 0.00 C ATOM 967 CE2 TYR A 68 -16.830 0.079 -35.304 1.00 0.00 C ATOM 968 CZ TYR A 68 -16.085 0.441 -36.407 1.00 0.00 C ATOM 969 OH TYR A 68 -16.434 -0.004 -37.666 1.00 0.00 O ATOM 0 H TYR A 68 -13.248 2.250 -30.263 1.00 0.00 H new ATOM 0 HA TYR A 68 -13.905 0.003 -32.137 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -15.850 1.693 -31.778 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -14.804 2.910 -32.483 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -13.779 2.352 -34.851 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -17.076 0.234 -33.192 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -14.396 1.549 -37.088 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -17.692 -0.560 -35.426 1.00 0.00 H new ATOM 0 HH TYR A 68 -17.231 -0.571 -37.603 1.00 0.00 H new ATOM 979 N GLU A 69 -11.989 0.735 -33.541 1.00 0.00 N ATOM 980 CA GLU A 69 -10.765 1.155 -34.278 1.00 0.00 C ATOM 981 C GLU A 69 -11.087 1.722 -35.654 1.00 0.00 C ATOM 982 O GLU A 69 -12.099 1.406 -36.247 1.00 0.00 O ATOM 983 CB GLU A 69 -9.860 -0.068 -34.458 1.00 0.00 C ATOM 984 CG GLU A 69 -9.809 -0.855 -33.146 1.00 0.00 C ATOM 985 CD GLU A 69 -10.823 -1.997 -33.200 1.00 0.00 C ATOM 986 OE1 GLU A 69 -10.558 -2.923 -33.948 1.00 0.00 O ATOM 987 OE2 GLU A 69 -11.807 -1.881 -32.487 1.00 0.00 O ATOM 0 H GLU A 69 -12.325 -0.206 -33.745 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.276 1.937 -33.697 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.239 -0.701 -35.261 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.857 0.246 -34.746 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.806 -1.251 -32.986 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.030 -0.197 -32.306 1.00 0.00 H new ATOM 994 N VAL A 70 -10.204 2.557 -36.125 1.00 0.00 N ATOM 995 CA VAL A 70 -10.381 3.166 -37.457 1.00 0.00 C ATOM 996 C VAL A 70 -9.016 3.502 -38.024 1.00 0.00 C ATOM 997 O VAL A 70 -8.204 4.112 -37.355 1.00 0.00 O ATOM 998 CB VAL A 70 -11.223 4.458 -37.304 1.00 0.00 C ATOM 999 CG1 VAL A 70 -10.718 5.547 -38.260 1.00 0.00 C ATOM 1000 CG2 VAL A 70 -12.681 4.146 -37.643 1.00 0.00 C ATOM 0 H VAL A 70 -9.358 2.842 -35.631 1.00 0.00 H new ATOM 0 HA VAL A 70 -10.892 2.477 -38.130 1.00 0.00 H new ATOM 0 HB VAL A 70 -11.135 4.815 -36.278 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -11.321 6.447 -38.138 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.676 5.775 -38.034 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -10.797 5.194 -39.288 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -13.281 5.050 -37.538 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -12.747 3.784 -38.669 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -13.057 3.381 -36.964 1.00 0.00 H new ATOM 1010 N THR A 71 -8.791 3.104 -39.245 1.00 0.00 N ATOM 1011 CA THR A 71 -7.469 3.364 -39.872 1.00 0.00 C ATOM 1012 C THR A 71 -7.602 4.194 -41.141 1.00 0.00 C ATOM 1013 O THR A 71 -7.988 3.693 -42.178 1.00 0.00 O ATOM 1014 CB THR A 71 -6.859 2.013 -40.236 1.00 0.00 C ATOM 1015 OG1 THR A 71 -7.125 1.176 -39.128 1.00 0.00 O ATOM 1016 CG2 THR A 71 -5.327 2.098 -40.296 1.00 0.00 C ATOM 0 H THR A 71 -9.464 2.612 -39.833 1.00 0.00 H new ATOM 0 HA THR A 71 -6.846 3.919 -39.171 1.00 0.00 H new ATOM 0 HB THR A 71 -7.258 1.674 -41.192 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.758 0.283 -39.297 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.918 1.122 -40.557 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.032 2.828 -41.050 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.941 2.404 -39.324 1.00 0.00 H new ATOM 1024 N LEU A 72 -7.279 5.456 -41.035 1.00 0.00 N ATOM 1025 CA LEU A 72 -7.357 6.325 -42.230 1.00 0.00 C ATOM 1026 C LEU A 72 -6.060 6.241 -43.010 1.00 0.00 C ATOM 1027 O LEU A 72 -5.035 5.874 -42.473 1.00 0.00 O ATOM 1028 CB LEU A 72 -7.568 7.775 -41.777 1.00 0.00 C ATOM 1029 CG LEU A 72 -8.828 7.854 -40.899 1.00 0.00 C ATOM 1030 CD1 LEU A 72 -8.948 9.258 -40.307 1.00 0.00 C ATOM 1031 CD2 LEU A 72 -10.070 7.568 -41.752 1.00 0.00 C ATOM 0 H LEU A 72 -6.968 5.913 -40.178 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.184 6.000 -42.861 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.699 8.124 -41.219 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.673 8.427 -42.644 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.753 7.118 -40.099 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.841 9.315 -39.684 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.068 9.474 -39.701 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.021 9.988 -41.113 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.961 7.625 -41.127 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.140 8.305 -42.552 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.993 6.570 -42.184 1.00 0.00 H new ATOM 1043 N THR A 73 -6.120 6.579 -44.260 1.00 0.00 N ATOM 1044 CA THR A 73 -4.890 6.506 -45.079 1.00 0.00 C ATOM 1045 C THR A 73 -4.906 7.526 -46.205 1.00 0.00 C ATOM 1046 O THR A 73 -4.506 7.224 -47.312 1.00 0.00 O ATOM 1047 CB THR A 73 -4.803 5.106 -45.693 1.00 0.00 C ATOM 1048 OG1 THR A 73 -5.414 4.245 -44.754 1.00 0.00 O ATOM 1049 CG2 THR A 73 -3.344 4.632 -45.763 1.00 0.00 C ATOM 0 H THR A 73 -6.958 6.899 -44.746 1.00 0.00 H new ATOM 0 HA THR A 73 -4.034 6.717 -44.438 1.00 0.00 H new ATOM 0 HB THR A 73 -5.252 5.110 -46.686 1.00 0.00 H new ATOM 0 HG1 THR A 73 -5.392 3.325 -45.091 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.306 3.635 -46.202 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.766 5.322 -46.378 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.923 4.602 -44.758 1.00 0.00 H new ATOM 1057 N GLU A 74 -5.370 8.719 -45.917 1.00 0.00 N ATOM 1058 CA GLU A 74 -5.394 9.755 -46.984 1.00 0.00 C ATOM 1059 C GLU A 74 -5.065 11.122 -46.415 1.00 0.00 C ATOM 1060 O GLU A 74 -5.893 11.762 -45.797 1.00 0.00 O ATOM 1061 CB GLU A 74 -6.800 9.787 -47.611 1.00 0.00 C ATOM 1062 CG GLU A 74 -6.855 8.798 -48.775 1.00 0.00 C ATOM 1063 CD GLU A 74 -6.007 9.326 -49.935 1.00 0.00 C ATOM 1064 OE1 GLU A 74 -6.512 10.197 -50.622 1.00 0.00 O ATOM 1065 OE2 GLU A 74 -4.900 8.827 -50.067 1.00 0.00 O ATOM 0 H GLU A 74 -5.725 9.011 -45.007 1.00 0.00 H new ATOM 0 HA GLU A 74 -4.646 9.507 -47.737 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.550 9.529 -46.864 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.032 10.793 -47.962 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -6.486 7.823 -48.455 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -7.886 8.658 -49.099 1.00 0.00 H new ATOM 1072 N LYS A 75 -3.851 11.542 -46.635 1.00 0.00 N ATOM 1073 CA LYS A 75 -3.424 12.859 -46.117 1.00 0.00 C ATOM 1074 C LYS A 75 -4.498 13.912 -46.341 1.00 0.00 C ATOM 1075 O LYS A 75 -4.809 14.257 -47.464 1.00 0.00 O ATOM 1076 CB LYS A 75 -2.152 13.282 -46.867 1.00 0.00 C ATOM 1077 CG LYS A 75 -1.307 12.039 -47.163 1.00 0.00 C ATOM 1078 CD LYS A 75 0.126 12.468 -47.481 1.00 0.00 C ATOM 1079 CE LYS A 75 0.673 11.594 -48.611 1.00 0.00 C ATOM 1080 NZ LYS A 75 0.421 10.152 -48.322 1.00 0.00 N ATOM 0 H LYS A 75 -3.139 11.026 -47.152 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.242 12.775 -45.045 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.414 13.788 -47.796 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.581 13.991 -46.268 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.316 11.366 -46.306 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.730 11.489 -48.004 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.148 13.518 -47.774 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.753 12.371 -46.594 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.201 11.870 -49.554 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.743 11.767 -48.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.171 9.575 -48.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.416 10.000 -47.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.500 9.875 -48.717 1.00 0.00 H new ATOM 1094 N GLY A 76 -5.047 14.407 -45.268 1.00 0.00 N ATOM 1095 CA GLY A 76 -6.103 15.444 -45.401 1.00 0.00 C ATOM 1096 C GLY A 76 -6.713 15.745 -44.039 1.00 0.00 C ATOM 1097 O GLY A 76 -6.031 15.712 -43.032 1.00 0.00 O ATOM 0 H GLY A 76 -4.812 14.140 -44.312 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.679 16.353 -45.828 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.877 15.100 -46.087 1.00 0.00 H new ATOM 1101 N THR A 77 -7.987 16.029 -44.030 1.00 0.00 N ATOM 1102 CA THR A 77 -8.656 16.334 -42.744 1.00 0.00 C ATOM 1103 C THR A 77 -10.074 15.783 -42.726 1.00 0.00 C ATOM 1104 O THR A 77 -10.853 16.040 -43.623 1.00 0.00 O ATOM 1105 CB THR A 77 -8.714 17.856 -42.578 1.00 0.00 C ATOM 1106 OG1 THR A 77 -8.204 18.385 -43.787 1.00 0.00 O ATOM 1107 CG2 THR A 77 -7.723 18.327 -41.502 1.00 0.00 C ATOM 0 H THR A 77 -8.586 16.062 -44.855 1.00 0.00 H new ATOM 0 HA THR A 77 -8.094 15.872 -41.932 1.00 0.00 H new ATOM 0 HB THR A 77 -9.729 18.161 -42.322 1.00 0.00 H new ATOM 0 HG1 THR A 77 -8.216 19.364 -43.746 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.782 19.411 -41.402 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.972 17.861 -40.549 1.00 0.00 H new ATOM 0 HG23 THR A 77 -6.711 18.044 -41.791 1.00 0.00 H new ATOM 1115 N TYR A 78 -10.378 15.034 -41.693 1.00 0.00 N ATOM 1116 CA TYR A 78 -11.733 14.448 -41.570 1.00 0.00 C ATOM 1117 C TYR A 78 -12.425 15.048 -40.366 1.00 0.00 C ATOM 1118 O TYR A 78 -11.783 15.676 -39.536 1.00 0.00 O ATOM 1119 CB TYR A 78 -11.612 12.928 -41.349 1.00 0.00 C ATOM 1120 CG TYR A 78 -10.586 12.321 -42.314 1.00 0.00 C ATOM 1121 CD1 TYR A 78 -9.241 12.616 -42.197 1.00 0.00 C ATOM 1122 CD2 TYR A 78 -10.994 11.466 -43.315 1.00 0.00 C ATOM 1123 CE1 TYR A 78 -8.329 12.069 -43.067 1.00 0.00 C ATOM 1124 CE2 TYR A 78 -10.078 10.916 -44.181 1.00 0.00 C ATOM 1125 CZ TYR A 78 -8.735 11.217 -44.063 1.00 0.00 C ATOM 1126 OH TYR A 78 -7.813 10.667 -44.925 1.00 0.00 O ATOM 0 H TYR A 78 -9.738 14.808 -40.932 1.00 0.00 H new ATOM 0 HA TYR A 78 -12.301 14.654 -42.477 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -11.314 12.728 -40.320 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -12.583 12.455 -41.498 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -8.904 13.281 -41.416 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -12.042 11.226 -43.420 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -7.282 12.312 -42.966 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -10.411 10.244 -44.958 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.075 11.298 -45.061 1.00 0.00 H new ATOM 1136 N LYS A 79 -13.710 14.831 -40.273 1.00 0.00 N ATOM 1137 CA LYS A 79 -14.466 15.406 -39.132 1.00 0.00 C ATOM 1138 C LYS A 79 -15.416 14.405 -38.508 1.00 0.00 C ATOM 1139 O LYS A 79 -16.264 13.860 -39.179 1.00 0.00 O ATOM 1140 CB LYS A 79 -15.300 16.577 -39.665 1.00 0.00 C ATOM 1141 CG LYS A 79 -14.415 17.826 -39.782 1.00 0.00 C ATOM 1142 CD LYS A 79 -14.339 18.532 -38.422 1.00 0.00 C ATOM 1143 CE LYS A 79 -13.701 19.909 -38.612 1.00 0.00 C ATOM 1144 NZ LYS A 79 -14.586 20.784 -39.432 1.00 0.00 N ATOM 0 H LYS A 79 -14.262 14.284 -40.934 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.750 15.714 -38.370 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -15.721 16.324 -40.638 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -16.138 16.774 -38.997 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -13.415 17.546 -40.114 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -14.822 18.504 -40.533 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -15.336 18.635 -37.995 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.752 17.938 -37.722 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.522 20.371 -37.641 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.731 19.803 -39.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.589 21.745 -39.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.234 20.815 -40.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -15.554 20.403 -39.425 1.00 0.00 H new ATOM 1158 N PHE A 80 -15.254 14.186 -37.221 1.00 0.00 N ATOM 1159 CA PHE A 80 -16.165 13.255 -36.512 1.00 0.00 C ATOM 1160 C PHE A 80 -16.654 13.876 -35.227 1.00 0.00 C ATOM 1161 O PHE A 80 -16.078 14.820 -34.726 1.00 0.00 O ATOM 1162 CB PHE A 80 -15.438 11.931 -36.195 1.00 0.00 C ATOM 1163 CG PHE A 80 -14.013 12.200 -35.709 1.00 0.00 C ATOM 1164 CD1 PHE A 80 -13.052 12.676 -36.581 1.00 0.00 C ATOM 1165 CD2 PHE A 80 -13.665 11.963 -34.387 1.00 0.00 C ATOM 1166 CE1 PHE A 80 -11.770 12.912 -36.142 1.00 0.00 C ATOM 1167 CE2 PHE A 80 -12.379 12.202 -33.951 1.00 0.00 C ATOM 1168 CZ PHE A 80 -11.432 12.678 -34.828 1.00 0.00 C ATOM 0 H PHE A 80 -14.531 14.614 -36.642 1.00 0.00 H new ATOM 0 HA PHE A 80 -17.017 13.052 -37.160 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -15.990 11.381 -35.433 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -15.411 11.303 -37.085 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -13.309 12.864 -37.613 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -14.406 11.589 -33.696 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -11.025 13.282 -36.831 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -12.115 12.015 -32.921 1.00 0.00 H new ATOM 0 HZ PHE A 80 -10.425 12.868 -34.486 1.00 0.00 H new ATOM 1178 N TYR A 81 -17.710 13.335 -34.722 1.00 0.00 N ATOM 1179 CA TYR A 81 -18.289 13.881 -33.482 1.00 0.00 C ATOM 1180 C TYR A 81 -19.366 12.957 -32.951 1.00 0.00 C ATOM 1181 O TYR A 81 -19.571 11.872 -33.477 1.00 0.00 O ATOM 1182 CB TYR A 81 -18.932 15.236 -33.816 1.00 0.00 C ATOM 1183 CG TYR A 81 -20.061 15.029 -34.828 1.00 0.00 C ATOM 1184 CD1 TYR A 81 -19.778 14.857 -36.167 1.00 0.00 C ATOM 1185 CD2 TYR A 81 -21.378 15.012 -34.415 1.00 0.00 C ATOM 1186 CE1 TYR A 81 -20.796 14.672 -37.081 1.00 0.00 C ATOM 1187 CE2 TYR A 81 -22.396 14.825 -35.330 1.00 0.00 C ATOM 1188 CZ TYR A 81 -22.114 14.655 -36.668 1.00 0.00 C ATOM 1189 OH TYR A 81 -23.131 14.471 -37.583 1.00 0.00 O ATOM 0 H TYR A 81 -18.201 12.533 -35.117 1.00 0.00 H new ATOM 0 HA TYR A 81 -17.507 13.986 -32.730 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -19.322 15.699 -32.910 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -18.183 15.915 -34.224 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -18.752 14.867 -36.503 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -21.614 15.146 -33.370 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -20.560 14.540 -38.127 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -23.422 14.812 -34.994 1.00 0.00 H new ATOM 0 HH TYR A 81 -22.967 15.030 -38.371 1.00 0.00 H new ATOM 1199 N CYS A 82 -20.037 13.401 -31.914 1.00 0.00 N ATOM 1200 CA CYS A 82 -21.118 12.576 -31.329 1.00 0.00 C ATOM 1201 C CYS A 82 -22.473 13.245 -31.536 1.00 0.00 C ATOM 1202 O CYS A 82 -22.621 14.432 -31.319 1.00 0.00 O ATOM 1203 CB CYS A 82 -20.850 12.441 -29.832 1.00 0.00 C ATOM 1204 SG CYS A 82 -21.392 10.910 -29.029 1.00 0.00 S ATOM 0 H CYS A 82 -19.876 14.298 -31.455 1.00 0.00 H new ATOM 0 HA CYS A 82 -21.137 11.599 -31.813 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -19.777 12.546 -29.670 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -21.332 13.277 -29.326 1.00 0.00 H new ATOM 0 HG CYS A 82 -21.716 11.159 -27.795 1.00 0.00 H new ATOM 1209 N GLU A 83 -23.440 12.470 -31.954 1.00 0.00 N ATOM 1210 CA GLU A 83 -24.786 13.044 -32.194 1.00 0.00 C ATOM 1211 C GLU A 83 -25.563 13.326 -30.886 1.00 0.00 C ATOM 1212 O GLU A 83 -26.143 14.381 -30.737 1.00 0.00 O ATOM 1213 CB GLU A 83 -25.595 12.055 -33.054 1.00 0.00 C ATOM 1214 CG GLU A 83 -25.970 12.724 -34.378 1.00 0.00 C ATOM 1215 CD GLU A 83 -26.666 11.702 -35.282 1.00 0.00 C ATOM 1216 OE1 GLU A 83 -27.292 10.818 -34.720 1.00 0.00 O ATOM 1217 OE2 GLU A 83 -26.531 11.863 -36.484 1.00 0.00 O ATOM 0 H GLU A 83 -23.352 11.470 -32.137 1.00 0.00 H new ATOM 0 HA GLU A 83 -24.651 14.000 -32.700 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -25.009 11.155 -33.241 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -26.495 11.745 -32.523 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -26.628 13.573 -34.196 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -25.077 13.112 -34.868 1.00 0.00 H new ATOM 1224 N PRO A 84 -25.571 12.372 -29.953 1.00 0.00 N ATOM 1225 CA PRO A 84 -26.298 12.556 -28.696 1.00 0.00 C ATOM 1226 C PRO A 84 -25.672 13.640 -27.818 1.00 0.00 C ATOM 1227 O PRO A 84 -26.371 14.440 -27.228 1.00 0.00 O ATOM 1228 CB PRO A 84 -26.197 11.196 -27.973 1.00 0.00 C ATOM 1229 CG PRO A 84 -25.324 10.261 -28.861 1.00 0.00 C ATOM 1230 CD PRO A 84 -24.889 11.071 -30.092 1.00 0.00 C ATOM 0 HA PRO A 84 -27.323 12.870 -28.890 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -25.749 11.318 -26.987 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -27.188 10.767 -27.822 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -24.454 9.908 -28.307 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -25.890 9.379 -29.162 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -23.806 11.194 -30.121 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -25.178 10.571 -31.016 1.00 0.00 H new ATOM 1238 N HIS A 85 -24.368 13.649 -27.745 1.00 0.00 N ATOM 1239 CA HIS A 85 -23.693 14.663 -26.895 1.00 0.00 C ATOM 1240 C HIS A 85 -23.296 15.894 -27.704 1.00 0.00 C ATOM 1241 O HIS A 85 -22.431 16.647 -27.305 1.00 0.00 O ATOM 1242 CB HIS A 85 -22.425 14.030 -26.306 1.00 0.00 C ATOM 1243 CG HIS A 85 -22.811 12.769 -25.516 1.00 0.00 C ATOM 1244 ND1 HIS A 85 -22.261 11.549 -25.759 1.00 0.00 N ATOM 1245 CD2 HIS A 85 -23.737 12.652 -24.496 1.00 0.00 C ATOM 1246 CE1 HIS A 85 -22.891 10.785 -24.874 1.00 0.00 C ATOM 1247 NE2 HIS A 85 -23.722 11.442 -24.173 1.00 0.00 N ATOM 0 H HIS A 85 -23.748 13.003 -28.234 1.00 0.00 H new ATOM 0 HA HIS A 85 -24.382 14.977 -26.111 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -21.727 13.775 -27.103 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -21.918 14.741 -25.654 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -24.344 13.437 -24.069 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -22.717 9.725 -24.763 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -24.303 11.036 -23.440 1.00 0.00 H new ATOM 1255 N ALA A 86 -23.934 16.079 -28.828 1.00 0.00 N ATOM 1256 CA ALA A 86 -23.603 17.262 -29.660 1.00 0.00 C ATOM 1257 C ALA A 86 -24.173 18.529 -29.038 1.00 0.00 C ATOM 1258 O ALA A 86 -23.842 19.626 -29.442 1.00 0.00 O ATOM 1259 CB ALA A 86 -24.225 17.072 -31.053 1.00 0.00 C ATOM 0 H ALA A 86 -24.661 15.468 -29.200 1.00 0.00 H new ATOM 0 HA ALA A 86 -22.519 17.358 -29.728 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -23.990 17.934 -31.677 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -23.820 16.171 -31.513 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -25.307 16.976 -30.959 1.00 0.00 H new ATOM 1265 N GLY A 87 -25.025 18.354 -28.063 1.00 0.00 N ATOM 1266 CA GLY A 87 -25.629 19.543 -27.399 1.00 0.00 C ATOM 1267 C GLY A 87 -24.608 20.210 -26.478 1.00 0.00 C ATOM 1268 O GLY A 87 -24.762 21.354 -26.100 1.00 0.00 O ATOM 0 H GLY A 87 -25.326 17.449 -27.701 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -25.970 20.254 -28.151 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -26.505 19.242 -26.825 1.00 0.00 H new ATOM 1272 N ALA A 88 -23.585 19.476 -26.134 1.00 0.00 N ATOM 1273 CA ALA A 88 -22.544 20.044 -25.243 1.00 0.00 C ATOM 1274 C ALA A 88 -21.394 20.614 -26.061 1.00 0.00 C ATOM 1275 O ALA A 88 -20.972 21.734 -25.846 1.00 0.00 O ATOM 1276 CB ALA A 88 -22.005 18.917 -24.349 1.00 0.00 C ATOM 0 H ALA A 88 -23.429 18.513 -26.432 1.00 0.00 H new ATOM 0 HA ALA A 88 -22.980 20.843 -24.644 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -21.237 19.315 -23.685 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -22.819 18.503 -23.755 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -21.575 18.132 -24.972 1.00 0.00 H new ATOM 1282 N GLY A 89 -20.907 19.833 -26.985 1.00 0.00 N ATOM 1283 CA GLY A 89 -19.781 20.311 -27.831 1.00 0.00 C ATOM 1284 C GLY A 89 -18.826 19.162 -28.148 1.00 0.00 C ATOM 1285 O GLY A 89 -17.667 19.379 -28.437 1.00 0.00 O ATOM 0 H GLY A 89 -21.238 18.890 -27.189 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -20.169 20.736 -28.757 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -19.243 21.107 -27.316 1.00 0.00 H new ATOM 1289 N MET A 90 -19.329 17.959 -28.084 1.00 0.00 N ATOM 1290 CA MET A 90 -18.463 16.795 -28.378 1.00 0.00 C ATOM 1291 C MET A 90 -18.140 16.713 -29.874 1.00 0.00 C ATOM 1292 O MET A 90 -18.969 16.298 -30.668 1.00 0.00 O ATOM 1293 CB MET A 90 -19.219 15.519 -27.952 1.00 0.00 C ATOM 1294 CG MET A 90 -18.308 14.654 -27.081 1.00 0.00 C ATOM 1295 SD MET A 90 -18.809 12.951 -26.792 1.00 0.00 S ATOM 1296 CE MET A 90 -17.164 12.217 -26.893 1.00 0.00 C ATOM 0 H MET A 90 -20.295 17.738 -27.842 1.00 0.00 H new ATOM 0 HA MET A 90 -17.524 16.897 -27.833 1.00 0.00 H new ATOM 0 HB2 MET A 90 -20.121 15.785 -27.401 1.00 0.00 H new ATOM 0 HB3 MET A 90 -19.536 14.960 -28.833 1.00 0.00 H new ATOM 0 HG2 MET A 90 -17.319 14.641 -27.538 1.00 0.00 H new ATOM 0 HG3 MET A 90 -18.205 15.143 -26.112 1.00 0.00 H new ATOM 0 HE1 MET A 90 -17.063 11.445 -26.131 1.00 0.00 H new ATOM 0 HE2 MET A 90 -17.023 11.774 -27.879 1.00 0.00 H new ATOM 0 HE3 MET A 90 -16.411 12.988 -26.730 1.00 0.00 H new ATOM 1306 N LYS A 91 -16.930 17.108 -30.228 1.00 0.00 N ATOM 1307 CA LYS A 91 -16.527 17.067 -31.666 1.00 0.00 C ATOM 1308 C LYS A 91 -15.175 16.387 -31.845 1.00 0.00 C ATOM 1309 O LYS A 91 -14.469 16.153 -30.892 1.00 0.00 O ATOM 1310 CB LYS A 91 -16.431 18.512 -32.181 1.00 0.00 C ATOM 1311 CG LYS A 91 -17.736 19.242 -31.859 1.00 0.00 C ATOM 1312 CD LYS A 91 -17.745 20.600 -32.564 1.00 0.00 C ATOM 1313 CE LYS A 91 -18.827 20.597 -33.649 1.00 0.00 C ATOM 1314 NZ LYS A 91 -20.177 20.409 -33.043 1.00 0.00 N ATOM 0 H LYS A 91 -16.217 17.452 -29.585 1.00 0.00 H new ATOM 0 HA LYS A 91 -17.270 16.497 -32.224 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -15.589 19.023 -31.715 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -16.252 18.518 -33.256 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -18.589 18.646 -32.183 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -17.833 19.378 -30.782 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -17.937 21.396 -31.844 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -16.769 20.800 -33.007 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -18.798 21.536 -34.202 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -18.629 19.799 -34.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -20.886 20.918 -33.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -20.411 19.396 -33.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -20.177 20.782 -32.072 1.00 0.00 H new ATOM 1328 N GLY A 92 -14.834 16.088 -33.078 1.00 0.00 N ATOM 1329 CA GLY A 92 -13.532 15.401 -33.329 1.00 0.00 C ATOM 1330 C GLY A 92 -12.995 15.701 -34.742 1.00 0.00 C ATOM 1331 O GLY A 92 -13.753 15.879 -35.673 1.00 0.00 O ATOM 0 H GLY A 92 -15.393 16.288 -33.907 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -12.802 15.722 -32.586 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -13.658 14.325 -33.208 1.00 0.00 H new ATOM 1335 N GLU A 93 -11.683 15.753 -34.860 1.00 0.00 N ATOM 1336 CA GLU A 93 -11.065 16.018 -36.188 1.00 0.00 C ATOM 1337 C GLU A 93 -9.671 15.389 -36.251 1.00 0.00 C ATOM 1338 O GLU A 93 -8.979 15.327 -35.255 1.00 0.00 O ATOM 1339 CB GLU A 93 -10.933 17.538 -36.371 1.00 0.00 C ATOM 1340 CG GLU A 93 -10.570 17.846 -37.822 1.00 0.00 C ATOM 1341 CD GLU A 93 -9.888 19.216 -37.894 1.00 0.00 C ATOM 1342 OE1 GLU A 93 -8.710 19.252 -37.579 1.00 0.00 O ATOM 1343 OE2 GLU A 93 -10.584 20.149 -38.259 1.00 0.00 O ATOM 0 H GLU A 93 -11.024 15.623 -34.093 1.00 0.00 H new ATOM 0 HA GLU A 93 -11.688 15.589 -36.973 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -11.869 18.030 -36.107 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -10.167 17.931 -35.702 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.906 17.076 -38.214 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -11.466 17.840 -38.442 1.00 0.00 H new ATOM 1350 N VAL A 94 -9.285 14.926 -37.420 1.00 0.00 N ATOM 1351 CA VAL A 94 -7.935 14.298 -37.543 1.00 0.00 C ATOM 1352 C VAL A 94 -7.238 14.742 -38.818 1.00 0.00 C ATOM 1353 O VAL A 94 -7.788 14.654 -39.895 1.00 0.00 O ATOM 1354 CB VAL A 94 -8.105 12.761 -37.569 1.00 0.00 C ATOM 1355 CG1 VAL A 94 -8.976 12.372 -38.759 1.00 0.00 C ATOM 1356 CG2 VAL A 94 -6.728 12.086 -37.702 1.00 0.00 C ATOM 0 H VAL A 94 -9.837 14.956 -38.277 1.00 0.00 H new ATOM 0 HA VAL A 94 -7.326 14.607 -36.694 1.00 0.00 H new ATOM 0 HB VAL A 94 -8.577 12.434 -36.643 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -9.099 11.289 -38.782 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -9.953 12.846 -38.665 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -8.500 12.702 -39.682 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.854 11.003 -37.720 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -6.251 12.411 -38.627 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.103 12.365 -36.854 1.00 0.00 H new ATOM 1366 N THR A 95 -6.036 15.222 -38.666 1.00 0.00 N ATOM 1367 CA THR A 95 -5.266 15.664 -39.858 1.00 0.00 C ATOM 1368 C THR A 95 -4.233 14.611 -40.242 1.00 0.00 C ATOM 1369 O THR A 95 -3.158 14.564 -39.689 1.00 0.00 O ATOM 1370 CB THR A 95 -4.542 16.964 -39.510 1.00 0.00 C ATOM 1371 OG1 THR A 95 -5.551 17.842 -39.057 1.00 0.00 O ATOM 1372 CG2 THR A 95 -3.989 17.630 -40.775 1.00 0.00 C ATOM 0 H THR A 95 -5.556 15.327 -37.772 1.00 0.00 H new ATOM 0 HA THR A 95 -5.948 15.812 -40.695 1.00 0.00 H new ATOM 0 HB THR A 95 -3.739 16.765 -38.800 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.151 18.703 -38.813 1.00 0.00 H new ATOM 0 HG21 THR A 95 -3.477 18.554 -40.506 1.00 0.00 H new ATOM 0 HG22 THR A 95 -3.286 16.955 -41.264 1.00 0.00 H new ATOM 0 HG23 THR A 95 -4.810 17.855 -41.456 1.00 0.00 H new ATOM 1380 N VAL A 96 -4.564 13.797 -41.202 1.00 0.00 N ATOM 1381 CA VAL A 96 -3.609 12.739 -41.598 1.00 0.00 C ATOM 1382 C VAL A 96 -2.523 13.311 -42.495 1.00 0.00 C ATOM 1383 O VAL A 96 -2.765 14.213 -43.272 1.00 0.00 O ATOM 1384 CB VAL A 96 -4.379 11.636 -42.357 1.00 0.00 C ATOM 1385 CG1 VAL A 96 -3.424 10.482 -42.688 1.00 0.00 C ATOM 1386 CG2 VAL A 96 -5.510 11.099 -41.465 1.00 0.00 C ATOM 0 H VAL A 96 -5.442 13.820 -41.721 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.138 12.325 -40.706 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.793 12.052 -43.276 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.967 9.703 -43.224 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.610 10.851 -43.311 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.016 10.071 -41.765 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.055 10.320 -41.998 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.086 10.684 -40.550 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.192 11.911 -41.213 1.00 0.00 H new ATOM 1396 N ASN A 97 -1.336 12.783 -42.361 1.00 0.00 N ATOM 1397 CA ASN A 97 -0.217 13.280 -43.194 1.00 0.00 C ATOM 1398 C ASN A 97 0.905 12.250 -43.257 1.00 0.00 C ATOM 1399 O ASN A 97 1.056 11.679 -44.324 1.00 0.00 O ATOM 1400 CB ASN A 97 0.330 14.567 -42.555 1.00 0.00 C ATOM 1401 CG ASN A 97 -0.513 15.759 -43.014 1.00 0.00 C ATOM 1402 OD1 ASN A 97 -0.530 16.111 -44.176 1.00 0.00 O ATOM 1403 ND2 ASN A 97 -1.225 16.407 -42.134 1.00 0.00 N ATOM 1404 OXT ASN A 97 1.548 12.088 -42.232 1.00 0.00 O ATOM 0 H ASN A 97 -1.099 12.033 -41.712 1.00 0.00 H new ATOM 0 HA ASN A 97 -0.580 13.468 -44.205 1.00 0.00 H new ATOM 0 HB2 ASN A 97 0.304 14.486 -41.468 1.00 0.00 H new ATOM 0 HB3 ASN A 97 1.372 14.713 -42.839 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -1.792 17.204 -42.424 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.215 16.117 -41.156 1.00 0.00 H new