USER MOD reduce.3.24.130724 H: found=0, std=0, add=1024, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1022 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 93 ASN : amide:sc= -0.121 K(o=-0.12,f=-2!) USER MOD Set 1.2: A 127 SER OG : rot -170:sc= 0 USER MOD Set 2.1: A 91 HIS : no HD1:sc= -9.15! C(o=-9.8!,f=-19!) USER MOD Set 2.2: A 94 MET CE :methyl -176:sc= -0.668 (180deg=-0.53) USER MOD Set 3.1: A 28 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 21:sc= 0.438 USER MOD Single : A 11 ASN : amide:sc= -0.0305 K(o=-0.03,f=-1.8!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -2.51! C(o=-2.5!,f=-3.6!) USER MOD Single : A 18 ASN :FLIP amide:sc= 0 F(o=-0.5,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -127:sc= -0.763 (180deg=-2.14!) USER MOD Single : A 30 GLN : amide:sc= -2.26 K(o=-2.3,f=-9.9!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.172) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -55:sc= 0.0468 USER MOD Single : A 49 CYS SG : rot -127:sc= 0.352 USER MOD Single : A 52 TYR OH : rot 180:sc= -0.823 USER MOD Single : A 53 TYR OH : rot 90:sc= -1.3 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0.00191 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.0661 X(o=-0.066,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.188 X(o=-0.19,f=0.033) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 136:sc= 0.874 (180deg=0.078) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 CYS SG : rot -99:sc= 0.252 USER MOD Single : A 101 THR OG1 : rot 117:sc= -0.482 USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.42! USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 111 MET CE :methyl -156:sc= -0.166 (180deg=-0.669) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 MET CE :methyl 136:sc= -1.25 (180deg=-2.85!) USER MOD Single : A 121 GLN : amide:sc= -0.989 X(o=-0.99,f=-0.78) USER MOD Single : A 122 THR OG1 : rot -53:sc= 0.663 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -35.658 -0.784 -20.248 1.00 0.00 N ATOM 2 CA GLY A 1 -37.011 -0.862 -19.728 1.00 0.00 C ATOM 3 C GLY A 1 -37.083 -0.536 -18.250 1.00 0.00 C ATOM 4 O GLY A 1 -37.643 0.488 -17.859 1.00 0.00 O ATOM 0 H1 GLY A 1 -35.662 -1.015 -21.262 1.00 0.00 H new ATOM 0 H2 GLY A 1 -35.290 0.179 -20.114 1.00 0.00 H new ATOM 0 H3 GLY A 1 -35.052 -1.460 -19.741 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -37.650 -0.173 -20.281 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -37.404 -1.865 -19.895 1.00 0.00 H new ATOM 8 N SER A 2 -36.517 -1.411 -17.425 1.00 0.00 N ATOM 9 CA SER A 2 -36.524 -1.214 -15.980 1.00 0.00 C ATOM 10 C SER A 2 -35.432 -0.235 -15.559 1.00 0.00 C ATOM 11 O SER A 2 -34.269 -0.610 -15.413 1.00 0.00 O ATOM 12 CB SER A 2 -36.331 -2.551 -15.261 1.00 0.00 C ATOM 13 OG SER A 2 -37.538 -3.292 -15.228 1.00 0.00 O ATOM 0 H SER A 2 -36.048 -2.263 -17.732 1.00 0.00 H new ATOM 0 HA SER A 2 -37.491 -0.795 -15.700 1.00 0.00 H new ATOM 0 HB2 SER A 2 -35.559 -3.131 -15.766 1.00 0.00 H new ATOM 0 HB3 SER A 2 -35.982 -2.373 -14.244 1.00 0.00 H new ATOM 0 HG SER A 2 -37.387 -4.142 -14.765 1.00 0.00 H new ATOM 19 N SER A 3 -35.817 1.023 -15.366 1.00 0.00 N ATOM 20 CA SER A 3 -34.871 2.058 -14.966 1.00 0.00 C ATOM 21 C SER A 3 -34.286 1.757 -13.589 1.00 0.00 C ATOM 22 O SER A 3 -35.007 1.706 -12.594 1.00 0.00 O ATOM 23 CB SER A 3 -35.556 3.426 -14.953 1.00 0.00 C ATOM 24 OG SER A 3 -36.048 3.762 -16.239 1.00 0.00 O ATOM 0 H SER A 3 -36.777 1.349 -15.480 1.00 0.00 H new ATOM 0 HA SER A 3 -34.058 2.073 -15.692 1.00 0.00 H new ATOM 0 HB2 SER A 3 -36.377 3.418 -14.237 1.00 0.00 H new ATOM 0 HB3 SER A 3 -34.850 4.187 -14.620 1.00 0.00 H new ATOM 0 HG SER A 3 -36.483 4.640 -16.204 1.00 0.00 H new ATOM 30 N GLY A 4 -32.972 1.558 -13.542 1.00 0.00 N ATOM 31 CA GLY A 4 -32.311 1.264 -12.284 1.00 0.00 C ATOM 32 C GLY A 4 -30.868 1.727 -12.266 1.00 0.00 C ATOM 33 O GLY A 4 -30.381 2.302 -13.239 1.00 0.00 O ATOM 0 H GLY A 4 -32.354 1.595 -14.353 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -32.854 1.745 -11.471 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -32.347 0.190 -12.100 1.00 0.00 H new ATOM 37 N SER A 5 -30.183 1.479 -11.154 1.00 0.00 N ATOM 38 CA SER A 5 -28.788 1.879 -11.010 1.00 0.00 C ATOM 39 C SER A 5 -28.072 0.998 -9.991 1.00 0.00 C ATOM 40 O SER A 5 -28.694 0.452 -9.081 1.00 0.00 O ATOM 41 CB SER A 5 -28.698 3.346 -10.586 1.00 0.00 C ATOM 42 OG SER A 5 -29.157 3.522 -9.257 1.00 0.00 O ATOM 0 H SER A 5 -30.571 1.003 -10.340 1.00 0.00 H new ATOM 0 HA SER A 5 -28.299 1.757 -11.976 1.00 0.00 H new ATOM 0 HB2 SER A 5 -27.666 3.688 -10.666 1.00 0.00 H new ATOM 0 HB3 SER A 5 -29.291 3.961 -11.263 1.00 0.00 H new ATOM 0 HG SER A 5 -29.088 4.468 -9.009 1.00 0.00 H new ATOM 48 N SER A 6 -26.759 0.865 -10.153 1.00 0.00 N ATOM 49 CA SER A 6 -25.957 0.047 -9.250 1.00 0.00 C ATOM 50 C SER A 6 -25.427 0.881 -8.088 1.00 0.00 C ATOM 51 O SER A 6 -25.464 0.454 -6.935 1.00 0.00 O ATOM 52 CB SER A 6 -24.792 -0.593 -10.007 1.00 0.00 C ATOM 53 OG SER A 6 -23.913 -1.262 -9.119 1.00 0.00 O ATOM 0 H SER A 6 -26.229 1.313 -10.900 1.00 0.00 H new ATOM 0 HA SER A 6 -26.595 -0.740 -8.848 1.00 0.00 H new ATOM 0 HB2 SER A 6 -25.177 -1.299 -10.743 1.00 0.00 H new ATOM 0 HB3 SER A 6 -24.245 0.174 -10.556 1.00 0.00 H new ATOM 0 HG SER A 6 -23.178 -1.664 -9.627 1.00 0.00 H new ATOM 59 N GLY A 7 -24.934 2.076 -8.401 1.00 0.00 N ATOM 60 CA GLY A 7 -24.402 2.952 -7.374 1.00 0.00 C ATOM 61 C GLY A 7 -23.545 4.064 -7.946 1.00 0.00 C ATOM 62 O GLY A 7 -23.200 4.047 -9.128 1.00 0.00 O ATOM 0 H GLY A 7 -24.894 2.453 -9.348 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -25.227 3.387 -6.809 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -23.809 2.365 -6.672 1.00 0.00 H new ATOM 66 N LYS A 8 -23.201 5.035 -7.107 1.00 0.00 N ATOM 67 CA LYS A 8 -22.380 6.161 -7.535 1.00 0.00 C ATOM 68 C LYS A 8 -21.294 5.705 -8.504 1.00 0.00 C ATOM 69 O LYS A 8 -20.799 4.581 -8.413 1.00 0.00 O ATOM 70 CB LYS A 8 -21.742 6.843 -6.322 1.00 0.00 C ATOM 71 CG LYS A 8 -20.792 5.945 -5.549 1.00 0.00 C ATOM 72 CD LYS A 8 -19.835 6.754 -4.690 1.00 0.00 C ATOM 73 CE LYS A 8 -20.491 7.199 -3.392 1.00 0.00 C ATOM 74 NZ LYS A 8 -19.680 8.230 -2.687 1.00 0.00 N ATOM 0 H LYS A 8 -23.478 5.065 -6.126 1.00 0.00 H new ATOM 0 HA LYS A 8 -23.025 6.874 -8.049 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -21.201 7.728 -6.656 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -22.531 7.186 -5.652 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -21.365 5.266 -4.917 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -20.224 5.329 -6.246 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -18.952 6.156 -4.466 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -19.496 7.628 -5.246 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -21.482 7.599 -3.604 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -20.629 6.336 -2.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -20.160 8.508 -1.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -18.743 7.840 -2.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -19.570 9.064 -3.299 1.00 0.00 H new ATOM 88 N ARG A 9 -20.928 6.584 -9.432 1.00 0.00 N ATOM 89 CA ARG A 9 -19.900 6.271 -10.418 1.00 0.00 C ATOM 90 C ARG A 9 -18.987 7.470 -10.650 1.00 0.00 C ATOM 91 O ARG A 9 -19.435 8.617 -10.634 1.00 0.00 O ATOM 92 CB ARG A 9 -20.544 5.843 -11.738 1.00 0.00 C ATOM 93 CG ARG A 9 -20.812 4.349 -11.829 1.00 0.00 C ATOM 94 CD ARG A 9 -20.805 3.869 -13.272 1.00 0.00 C ATOM 95 NE ARG A 9 -21.210 2.470 -13.385 1.00 0.00 N ATOM 96 CZ ARG A 9 -21.527 1.888 -14.536 1.00 0.00 C ATOM 97 NH1 ARG A 9 -21.485 2.580 -15.666 1.00 0.00 N ATOM 98 NH2 ARG A 9 -21.886 0.611 -14.558 1.00 0.00 N ATOM 0 H ARG A 9 -21.328 7.518 -9.522 1.00 0.00 H new ATOM 0 HA ARG A 9 -19.299 5.448 -10.031 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -21.484 6.380 -11.865 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -19.894 6.138 -12.562 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -20.056 3.807 -11.260 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -21.776 4.123 -11.374 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -21.477 4.490 -13.864 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -19.806 3.992 -13.690 1.00 0.00 H new ATOM 0 HE ARG A 9 -21.252 1.910 -12.534 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -21.209 3.562 -15.653 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -21.729 2.131 -16.549 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -21.919 0.075 -13.691 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -22.129 0.165 -15.442 1.00 0.00 H new ATOM 112 N SER A 10 -17.704 7.198 -10.866 1.00 0.00 N ATOM 113 CA SER A 10 -16.726 8.254 -11.097 1.00 0.00 C ATOM 114 C SER A 10 -15.555 7.739 -11.928 1.00 0.00 C ATOM 115 O SER A 10 -15.119 6.600 -11.766 1.00 0.00 O ATOM 116 CB SER A 10 -16.216 8.808 -9.765 1.00 0.00 C ATOM 117 OG SER A 10 -17.138 9.729 -9.209 1.00 0.00 O ATOM 0 H SER A 10 -17.318 6.254 -10.886 1.00 0.00 H new ATOM 0 HA SER A 10 -17.218 9.054 -11.651 1.00 0.00 H new ATOM 0 HB2 SER A 10 -16.050 7.988 -9.066 1.00 0.00 H new ATOM 0 HB3 SER A 10 -15.254 9.298 -9.916 1.00 0.00 H new ATOM 0 HG SER A 10 -18.025 9.577 -9.596 1.00 0.00 H new ATOM 123 N ASN A 11 -15.051 8.586 -12.819 1.00 0.00 N ATOM 124 CA ASN A 11 -13.931 8.217 -13.677 1.00 0.00 C ATOM 125 C ASN A 11 -12.840 7.514 -12.875 1.00 0.00 C ATOM 126 O ASN A 11 -12.421 6.408 -13.214 1.00 0.00 O ATOM 127 CB ASN A 11 -13.356 9.458 -14.363 1.00 0.00 C ATOM 128 CG ASN A 11 -14.222 9.937 -15.512 1.00 0.00 C ATOM 129 OD1 ASN A 11 -15.101 9.216 -15.985 1.00 0.00 O ATOM 130 ND2 ASN A 11 -13.977 11.161 -15.967 1.00 0.00 N ATOM 0 H ASN A 11 -15.400 9.533 -12.966 1.00 0.00 H new ATOM 0 HA ASN A 11 -14.300 7.528 -14.437 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -13.252 10.259 -13.631 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -12.356 9.234 -14.734 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -14.528 11.538 -16.738 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -13.238 11.724 -15.545 1.00 0.00 H new ATOM 137 N SER A 12 -12.385 8.164 -11.809 1.00 0.00 N ATOM 138 CA SER A 12 -11.341 7.604 -10.959 1.00 0.00 C ATOM 139 C SER A 12 -11.929 6.618 -9.954 1.00 0.00 C ATOM 140 O SER A 12 -13.141 6.404 -9.915 1.00 0.00 O ATOM 141 CB SER A 12 -10.600 8.721 -10.222 1.00 0.00 C ATOM 142 OG SER A 12 -10.052 9.658 -11.133 1.00 0.00 O ATOM 0 H SER A 12 -12.723 9.080 -11.513 1.00 0.00 H new ATOM 0 HA SER A 12 -10.636 7.069 -11.596 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.284 9.228 -9.542 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.804 8.293 -9.613 1.00 0.00 H new ATOM 0 HG SER A 12 -9.585 10.362 -10.637 1.00 0.00 H new ATOM 148 N ILE A 13 -11.062 6.021 -9.144 1.00 0.00 N ATOM 149 CA ILE A 13 -11.494 5.059 -8.138 1.00 0.00 C ATOM 150 C ILE A 13 -11.364 5.636 -6.733 1.00 0.00 C ATOM 151 O ILE A 13 -10.345 6.235 -6.388 1.00 0.00 O ATOM 152 CB ILE A 13 -10.682 3.753 -8.222 1.00 0.00 C ATOM 153 CG1 ILE A 13 -10.768 3.162 -9.631 1.00 0.00 C ATOM 154 CG2 ILE A 13 -11.181 2.752 -7.191 1.00 0.00 C ATOM 155 CD1 ILE A 13 -9.593 2.279 -9.989 1.00 0.00 C ATOM 0 H ILE A 13 -10.056 6.187 -9.165 1.00 0.00 H new ATOM 0 HA ILE A 13 -12.542 4.839 -8.342 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.638 3.978 -8.006 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -11.687 2.583 -9.718 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -10.834 3.975 -10.354 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -10.597 1.834 -7.263 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.072 3.174 -6.192 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -12.231 2.530 -7.379 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -9.721 1.895 -11.001 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.672 2.859 -9.935 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -9.538 1.445 -9.289 1.00 0.00 H new ATOM 167 N LYS A 14 -12.402 5.452 -5.925 1.00 0.00 N ATOM 168 CA LYS A 14 -12.405 5.951 -4.555 1.00 0.00 C ATOM 169 C LYS A 14 -12.472 4.800 -3.557 1.00 0.00 C ATOM 170 O LYS A 14 -13.313 3.909 -3.679 1.00 0.00 O ATOM 171 CB LYS A 14 -13.586 6.899 -4.338 1.00 0.00 C ATOM 172 CG LYS A 14 -13.531 7.646 -3.017 1.00 0.00 C ATOM 173 CD LYS A 14 -12.541 8.797 -3.068 1.00 0.00 C ATOM 174 CE LYS A 14 -12.882 9.873 -2.048 1.00 0.00 C ATOM 175 NZ LYS A 14 -12.342 9.549 -0.699 1.00 0.00 N ATOM 0 H LYS A 14 -13.254 4.960 -6.196 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.475 6.496 -4.391 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -13.616 7.622 -5.154 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.513 6.328 -4.384 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -14.522 8.028 -2.773 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.249 6.958 -2.220 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.535 8.421 -2.879 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.537 9.231 -4.068 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.479 10.830 -2.381 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.964 9.987 -1.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.595 10.306 -0.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.746 8.649 -0.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -11.307 9.465 -0.750 1.00 0.00 H new ATOM 189 N ARG A 15 -11.584 4.826 -2.569 1.00 0.00 N ATOM 190 CA ARG A 15 -11.543 3.785 -1.549 1.00 0.00 C ATOM 191 C ARG A 15 -12.849 3.745 -0.761 1.00 0.00 C ATOM 192 O ARG A 15 -13.379 4.783 -0.367 1.00 0.00 O ATOM 193 CB ARG A 15 -10.368 4.017 -0.599 1.00 0.00 C ATOM 194 CG ARG A 15 -9.795 2.737 -0.013 1.00 0.00 C ATOM 195 CD ARG A 15 -8.734 3.029 1.035 1.00 0.00 C ATOM 196 NE ARG A 15 -9.266 3.806 2.152 1.00 0.00 N ATOM 197 CZ ARG A 15 -9.349 5.131 2.152 1.00 0.00 C ATOM 198 NH1 ARG A 15 -8.937 5.825 1.100 1.00 0.00 N ATOM 199 NH2 ARG A 15 -9.846 5.766 3.206 1.00 0.00 N ATOM 0 H ARG A 15 -10.882 5.557 -2.453 1.00 0.00 H new ATOM 0 HA ARG A 15 -11.411 2.826 -2.050 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.579 4.547 -1.133 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -10.693 4.665 0.215 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -10.597 2.150 0.434 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.363 2.132 -0.810 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -8.326 2.090 1.409 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -7.910 3.574 0.574 1.00 0.00 H new ATOM 0 HE ARG A 15 -9.592 3.303 2.977 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.555 5.341 0.288 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -9.002 6.843 1.103 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -10.165 5.236 4.017 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -9.909 6.784 3.205 1.00 0.00 H new ATOM 213 N ASN A 16 -13.362 2.540 -0.535 1.00 0.00 N ATOM 214 CA ASN A 16 -14.606 2.365 0.206 1.00 0.00 C ATOM 215 C ASN A 16 -14.338 2.265 1.704 1.00 0.00 C ATOM 216 O ASN A 16 -13.359 1.662 2.146 1.00 0.00 O ATOM 217 CB ASN A 16 -15.340 1.113 -0.277 1.00 0.00 C ATOM 218 CG ASN A 16 -16.845 1.238 -0.146 1.00 0.00 C ATOM 219 OD1 ASN A 16 -17.430 2.253 -0.523 1.00 0.00 O ATOM 220 ND2 ASN A 16 -17.480 0.203 0.393 1.00 0.00 N ATOM 0 H ASN A 16 -12.936 1.670 -0.854 1.00 0.00 H new ATOM 0 HA ASN A 16 -15.233 3.238 0.025 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -15.083 0.924 -1.319 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -14.999 0.251 0.296 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -18.493 0.230 0.508 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -16.954 -0.619 0.692 1.00 0.00 H new ATOM 227 N PRO A 17 -15.227 2.870 2.506 1.00 0.00 N ATOM 228 CA PRO A 17 -15.108 2.862 3.968 1.00 0.00 C ATOM 229 C PRO A 17 -15.594 1.553 4.581 1.00 0.00 C ATOM 230 O PRO A 17 -14.936 0.984 5.452 1.00 0.00 O ATOM 231 CB PRO A 17 -16.007 4.022 4.403 1.00 0.00 C ATOM 232 CG PRO A 17 -17.034 4.129 3.329 1.00 0.00 C ATOM 233 CD PRO A 17 -16.416 3.607 2.049 1.00 0.00 C ATOM 0 HA PRO A 17 -14.073 2.962 4.294 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -16.466 3.825 5.372 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -15.439 4.947 4.502 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -17.921 3.551 3.589 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -17.352 5.164 3.206 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -17.105 2.958 1.508 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -16.148 4.420 1.374 1.00 0.00 H new ATOM 241 N ASN A 18 -16.748 1.082 4.122 1.00 0.00 N ATOM 242 CA ASN A 18 -17.321 -0.161 4.627 1.00 0.00 C ATOM 243 C ASN A 18 -16.387 -1.338 4.362 1.00 0.00 C ATOM 244 O ASN A 18 -16.346 -2.295 5.134 1.00 0.00 O ATOM 245 CB ASN A 18 -18.682 -0.419 3.977 1.00 0.00 C ATOM 246 CG ASN A 18 -19.812 0.288 4.700 1.00 0.00 C ATOM 247 OD1 ASN A 18 -19.779 1.615 4.694 1.00 0.00 O flip ATOM 248 ND2 ASN A 18 -20.704 -0.352 5.258 1.00 0.00 N flip ATOM 0 H ASN A 18 -17.305 1.541 3.402 1.00 0.00 H new ATOM 0 HA ASN A 18 -17.453 -0.061 5.704 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -18.655 -0.087 2.939 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -18.878 -1.491 3.964 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -20.689 -1.372 5.237 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -21.457 0.138 5.741 1.00 0.00 H new ATOM 255 N ALA A 19 -15.639 -1.258 3.267 1.00 0.00 N ATOM 256 CA ALA A 19 -14.704 -2.315 2.902 1.00 0.00 C ATOM 257 C ALA A 19 -13.703 -2.573 4.024 1.00 0.00 C ATOM 258 O ALA A 19 -13.142 -1.649 4.613 1.00 0.00 O ATOM 259 CB ALA A 19 -13.976 -1.954 1.616 1.00 0.00 C ATOM 0 H ALA A 19 -15.662 -0.472 2.617 1.00 0.00 H new ATOM 0 HA ALA A 19 -15.273 -3.230 2.740 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -13.281 -2.752 1.355 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.700 -1.826 0.812 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -13.424 -1.025 1.759 1.00 0.00 H new ATOM 265 N PRO A 20 -13.473 -3.859 4.327 1.00 0.00 N ATOM 266 CA PRO A 20 -12.539 -4.269 5.380 1.00 0.00 C ATOM 267 C PRO A 20 -11.087 -4.230 4.915 1.00 0.00 C ATOM 268 O PRO A 20 -10.692 -4.976 4.019 1.00 0.00 O ATOM 269 CB PRO A 20 -12.963 -5.707 5.691 1.00 0.00 C ATOM 270 CG PRO A 20 -13.561 -6.207 4.421 1.00 0.00 C ATOM 271 CD PRO A 20 -14.106 -5.012 3.666 1.00 0.00 C ATOM 0 HA PRO A 20 -12.579 -3.603 6.242 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.110 -6.315 5.994 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -13.684 -5.740 6.508 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -12.812 -6.727 3.824 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.356 -6.923 4.629 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -13.849 -5.057 2.608 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.193 -4.961 3.728 1.00 0.00 H new ATOM 279 N VAL A 21 -10.297 -3.356 5.530 1.00 0.00 N ATOM 280 CA VAL A 21 -8.888 -3.221 5.180 1.00 0.00 C ATOM 281 C VAL A 21 -8.105 -4.473 5.559 1.00 0.00 C ATOM 282 O VAL A 21 -8.100 -4.888 6.719 1.00 0.00 O ATOM 283 CB VAL A 21 -8.252 -2.002 5.873 1.00 0.00 C ATOM 284 CG1 VAL A 21 -6.792 -1.859 5.469 1.00 0.00 C ATOM 285 CG2 VAL A 21 -9.030 -0.737 5.544 1.00 0.00 C ATOM 0 H VAL A 21 -10.609 -2.731 6.273 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.842 -3.081 4.100 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.292 -2.157 6.951 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.359 -0.992 5.969 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.245 -2.756 5.759 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.725 -1.726 4.389 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.567 0.115 6.042 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.023 -0.575 4.466 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.059 -0.843 5.888 1.00 0.00 H new ATOM 295 N VAL A 22 -7.444 -5.072 4.574 1.00 0.00 N ATOM 296 CA VAL A 22 -6.655 -6.277 4.804 1.00 0.00 C ATOM 297 C VAL A 22 -5.429 -5.976 5.658 1.00 0.00 C ATOM 298 O VAL A 22 -5.231 -6.580 6.713 1.00 0.00 O ATOM 299 CB VAL A 22 -6.200 -6.912 3.477 1.00 0.00 C ATOM 300 CG1 VAL A 22 -5.378 -8.164 3.738 1.00 0.00 C ATOM 301 CG2 VAL A 22 -7.400 -7.226 2.597 1.00 0.00 C ATOM 0 H VAL A 22 -7.439 -4.743 3.609 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.298 -6.981 5.332 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.570 -6.196 2.950 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.066 -8.599 2.788 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.497 -7.905 4.326 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.981 -8.887 4.287 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.059 -7.674 1.664 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.059 -7.923 3.115 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.943 -6.306 2.381 1.00 0.00 H new ATOM 311 N ARG A 23 -4.608 -5.038 5.196 1.00 0.00 N ATOM 312 CA ARG A 23 -3.400 -4.657 5.917 1.00 0.00 C ATOM 313 C ARG A 23 -2.809 -3.371 5.348 1.00 0.00 C ATOM 314 O ARG A 23 -2.829 -3.150 4.137 1.00 0.00 O ATOM 315 CB ARG A 23 -2.364 -5.781 5.849 1.00 0.00 C ATOM 316 CG ARG A 23 -1.186 -5.582 6.789 1.00 0.00 C ATOM 317 CD ARG A 23 -1.482 -6.131 8.176 1.00 0.00 C ATOM 318 NE ARG A 23 -0.274 -6.243 8.990 1.00 0.00 N ATOM 319 CZ ARG A 23 0.325 -5.206 9.563 1.00 0.00 C ATOM 320 NH1 ARG A 23 -0.169 -3.984 9.413 1.00 0.00 N ATOM 321 NH2 ARG A 23 1.421 -5.388 10.288 1.00 0.00 N ATOM 0 H ARG A 23 -4.758 -4.528 4.325 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.669 -4.482 6.959 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.851 -6.727 6.086 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.993 -5.860 4.827 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.305 -6.078 6.381 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.950 -4.520 6.859 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.198 -5.481 8.678 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.950 -7.111 8.086 1.00 0.00 H new ATOM 0 HE ARG A 23 0.132 -7.169 9.126 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.011 -3.839 8.856 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.293 -3.189 9.854 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.805 -6.326 10.406 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.880 -4.590 10.728 1.00 0.00 H new ATOM 335 N ARG A 24 -2.285 -2.525 6.229 1.00 0.00 N ATOM 336 CA ARG A 24 -1.691 -1.260 5.814 1.00 0.00 C ATOM 337 C ARG A 24 -0.338 -1.049 6.487 1.00 0.00 C ATOM 338 O ARG A 24 -0.219 -1.143 7.708 1.00 0.00 O ATOM 339 CB ARG A 24 -2.627 -0.098 6.150 1.00 0.00 C ATOM 340 CG ARG A 24 -3.053 -0.062 7.608 1.00 0.00 C ATOM 341 CD ARG A 24 -3.843 1.198 7.927 1.00 0.00 C ATOM 342 NE ARG A 24 -3.722 1.580 9.331 1.00 0.00 N ATOM 343 CZ ARG A 24 -4.133 2.748 9.813 1.00 0.00 C ATOM 344 NH1 ARG A 24 -4.689 3.642 9.008 1.00 0.00 N ATOM 345 NH2 ARG A 24 -3.988 3.022 11.103 1.00 0.00 N ATOM 0 H ARG A 24 -2.260 -2.693 7.235 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.540 -1.295 4.735 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.131 0.840 5.902 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.515 -0.165 5.522 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.659 -0.939 7.833 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.171 -0.112 8.247 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.491 2.015 7.298 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.894 1.038 7.684 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.299 0.914 9.977 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.802 3.434 8.016 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.004 4.538 9.381 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.561 2.336 11.725 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.304 3.919 11.473 1.00 0.00 H new ATOM 359 N GLY A 25 0.680 -0.762 5.681 1.00 0.00 N ATOM 360 CA GLY A 25 2.011 -0.543 6.216 1.00 0.00 C ATOM 361 C GLY A 25 2.893 0.250 5.271 1.00 0.00 C ATOM 362 O GLY A 25 2.640 0.294 4.067 1.00 0.00 O ATOM 0 H GLY A 25 0.606 -0.677 4.667 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.935 -0.015 7.166 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.479 -1.505 6.423 1.00 0.00 H new ATOM 366 N TRP A 26 3.927 0.878 5.817 1.00 0.00 N ATOM 367 CA TRP A 26 4.848 1.675 5.014 1.00 0.00 C ATOM 368 C TRP A 26 5.701 0.783 4.118 1.00 0.00 C ATOM 369 O TRP A 26 6.786 0.351 4.509 1.00 0.00 O ATOM 370 CB TRP A 26 5.747 2.519 5.919 1.00 0.00 C ATOM 371 CG TRP A 26 5.053 3.715 6.497 1.00 0.00 C ATOM 372 CD1 TRP A 26 4.397 3.783 7.693 1.00 0.00 C ATOM 373 CD2 TRP A 26 4.945 5.013 5.903 1.00 0.00 C ATOM 374 NE1 TRP A 26 3.887 5.045 7.878 1.00 0.00 N ATOM 375 CE2 TRP A 26 4.211 5.819 6.795 1.00 0.00 C ATOM 376 CE3 TRP A 26 5.399 5.574 4.706 1.00 0.00 C ATOM 377 CZ2 TRP A 26 3.920 7.154 6.525 1.00 0.00 C ATOM 378 CZ3 TRP A 26 5.109 6.898 4.439 1.00 0.00 C ATOM 379 CH2 TRP A 26 4.377 7.677 5.345 1.00 0.00 C ATOM 0 H TRP A 26 4.149 0.851 6.812 1.00 0.00 H new ATOM 0 HA TRP A 26 4.258 2.337 4.380 1.00 0.00 H new ATOM 0 HB2 TRP A 26 6.119 1.896 6.732 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.615 2.852 5.349 1.00 0.00 H new ATOM 0 HD1 TRP A 26 4.294 2.965 8.391 1.00 0.00 H new ATOM 0 HE1 TRP A 26 3.354 5.355 8.690 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.966 4.983 4.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 3.354 7.755 7.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 5.453 7.341 3.516 1.00 0.00 H new ATOM 0 HH2 TRP A 26 4.169 8.710 5.108 1.00 0.00 H new ATOM 390 N LEU A 27 5.204 0.511 2.917 1.00 0.00 N ATOM 391 CA LEU A 27 5.922 -0.330 1.965 1.00 0.00 C ATOM 392 C LEU A 27 6.867 0.504 1.106 1.00 0.00 C ATOM 393 O LEU A 27 6.680 1.711 0.952 1.00 0.00 O ATOM 394 CB LEU A 27 4.933 -1.082 1.072 1.00 0.00 C ATOM 395 CG LEU A 27 5.547 -2.024 0.036 1.00 0.00 C ATOM 396 CD1 LEU A 27 6.245 -3.189 0.720 1.00 0.00 C ATOM 397 CD2 LEU A 27 4.479 -2.529 -0.924 1.00 0.00 C ATOM 0 H LEU A 27 4.307 0.860 2.579 1.00 0.00 H new ATOM 0 HA LEU A 27 6.514 -1.051 2.529 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.266 -1.661 1.710 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.318 -0.350 0.549 1.00 0.00 H new ATOM 0 HG LEU A 27 6.290 -1.469 -0.537 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.676 -3.848 -0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.037 -2.810 1.366 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.523 -3.745 1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.934 -3.198 -1.655 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.713 -3.068 -0.366 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.024 -1.683 -1.440 1.00 0.00 H new ATOM 409 N TYR A 28 7.880 -0.148 0.547 1.00 0.00 N ATOM 410 CA TYR A 28 8.855 0.533 -0.297 1.00 0.00 C ATOM 411 C TYR A 28 8.565 0.284 -1.774 1.00 0.00 C ATOM 412 O TYR A 28 8.306 -0.847 -2.187 1.00 0.00 O ATOM 413 CB TYR A 28 10.271 0.064 0.043 1.00 0.00 C ATOM 414 CG TYR A 28 10.599 0.148 1.516 1.00 0.00 C ATOM 415 CD1 TYR A 28 10.894 1.367 2.115 1.00 0.00 C ATOM 416 CD2 TYR A 28 10.613 -0.992 2.310 1.00 0.00 C ATOM 417 CE1 TYR A 28 11.195 1.447 3.460 1.00 0.00 C ATOM 418 CE2 TYR A 28 10.912 -0.921 3.657 1.00 0.00 C ATOM 419 CZ TYR A 28 11.203 0.301 4.227 1.00 0.00 C ATOM 420 OH TYR A 28 11.501 0.377 5.569 1.00 0.00 O ATOM 0 H TYR A 28 8.048 -1.147 0.663 1.00 0.00 H new ATOM 0 HA TYR A 28 8.779 1.603 -0.106 1.00 0.00 H new ATOM 0 HB2 TYR A 28 10.393 -0.967 -0.290 1.00 0.00 H new ATOM 0 HB3 TYR A 28 10.988 0.666 -0.515 1.00 0.00 H new ATOM 0 HD1 TYR A 28 10.888 2.267 1.518 1.00 0.00 H new ATOM 0 HD2 TYR A 28 10.386 -1.950 1.867 1.00 0.00 H new ATOM 0 HE1 TYR A 28 11.423 2.402 3.909 1.00 0.00 H new ATOM 0 HE2 TYR A 28 10.918 -1.817 4.260 1.00 0.00 H new ATOM 0 HH TYR A 28 11.462 -0.519 5.964 1.00 0.00 H new ATOM 430 N LYS A 29 8.611 1.349 -2.567 1.00 0.00 N ATOM 431 CA LYS A 29 8.356 1.249 -3.999 1.00 0.00 C ATOM 432 C LYS A 29 9.478 1.904 -4.798 1.00 0.00 C ATOM 433 O LYS A 29 10.139 2.824 -4.318 1.00 0.00 O ATOM 434 CB LYS A 29 7.018 1.906 -4.347 1.00 0.00 C ATOM 435 CG LYS A 29 6.773 2.032 -5.840 1.00 0.00 C ATOM 436 CD LYS A 29 5.293 2.181 -6.151 1.00 0.00 C ATOM 437 CE LYS A 29 4.871 3.642 -6.170 1.00 0.00 C ATOM 438 NZ LYS A 29 4.823 4.223 -4.799 1.00 0.00 N ATOM 0 H LYS A 29 8.823 2.292 -2.242 1.00 0.00 H new ATOM 0 HA LYS A 29 8.314 0.192 -4.262 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.211 1.324 -3.903 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.982 2.898 -3.896 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.316 2.894 -6.227 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.166 1.152 -6.350 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.076 1.726 -7.117 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.708 1.642 -5.406 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.568 4.214 -6.783 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.890 3.731 -6.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.893 4.661 -4.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.976 3.471 -4.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.566 4.944 -4.701 1.00 0.00 H new ATOM 452 N GLN A 30 9.687 1.423 -6.020 1.00 0.00 N ATOM 453 CA GLN A 30 10.729 1.963 -6.885 1.00 0.00 C ATOM 454 C GLN A 30 10.302 3.300 -7.483 1.00 0.00 C ATOM 455 O GLN A 30 9.164 3.735 -7.305 1.00 0.00 O ATOM 456 CB GLN A 30 11.056 0.973 -8.004 1.00 0.00 C ATOM 457 CG GLN A 30 12.160 -0.008 -7.644 1.00 0.00 C ATOM 458 CD GLN A 30 13.522 0.653 -7.553 1.00 0.00 C ATOM 459 OE1 GLN A 30 13.711 1.777 -8.019 1.00 0.00 O ATOM 460 NE2 GLN A 30 14.479 -0.042 -6.950 1.00 0.00 N ATOM 0 H GLN A 30 9.149 0.661 -6.433 1.00 0.00 H new ATOM 0 HA GLN A 30 11.621 2.124 -6.279 1.00 0.00 H new ATOM 0 HB2 GLN A 30 10.155 0.415 -8.260 1.00 0.00 H new ATOM 0 HB3 GLN A 30 11.351 1.528 -8.895 1.00 0.00 H new ATOM 0 HG2 GLN A 30 11.925 -0.480 -6.690 1.00 0.00 H new ATOM 0 HG3 GLN A 30 12.194 -0.801 -8.391 1.00 0.00 H new ATOM 0 HE21 GLN A 30 14.278 -0.970 -6.578 1.00 0.00 H new ATOM 0 HE22 GLN A 30 15.415 0.352 -6.858 1.00 0.00 H new ATOM 469 N ASP A 31 11.221 3.947 -8.191 1.00 0.00 N ATOM 470 CA ASP A 31 10.940 5.234 -8.815 1.00 0.00 C ATOM 471 C ASP A 31 11.089 5.147 -10.331 1.00 0.00 C ATOM 472 O ASP A 31 10.224 5.605 -11.077 1.00 0.00 O ATOM 473 CB ASP A 31 11.874 6.310 -8.259 1.00 0.00 C ATOM 474 CG ASP A 31 11.360 6.911 -6.966 1.00 0.00 C ATOM 475 OD1 ASP A 31 10.832 6.151 -6.127 1.00 0.00 O ATOM 476 OD2 ASP A 31 11.484 8.142 -6.793 1.00 0.00 O ATOM 0 H ASP A 31 12.168 3.601 -8.347 1.00 0.00 H new ATOM 0 HA ASP A 31 9.910 5.504 -8.584 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.860 5.878 -8.089 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.996 7.100 -9.000 1.00 0.00 H new ATOM 481 N SER A 32 12.193 4.557 -10.779 1.00 0.00 N ATOM 482 CA SER A 32 12.458 4.414 -12.205 1.00 0.00 C ATOM 483 C SER A 32 12.487 5.776 -12.892 1.00 0.00 C ATOM 484 O SER A 32 11.901 5.961 -13.959 1.00 0.00 O ATOM 485 CB SER A 32 11.397 3.525 -12.857 1.00 0.00 C ATOM 486 OG SER A 32 11.343 2.254 -12.232 1.00 0.00 O ATOM 0 H SER A 32 12.918 4.171 -10.174 1.00 0.00 H new ATOM 0 HA SER A 32 13.436 3.946 -12.321 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.422 4.008 -12.791 1.00 0.00 H new ATOM 0 HB3 SER A 32 11.621 3.403 -13.917 1.00 0.00 H new ATOM 0 HG SER A 32 10.656 1.705 -12.665 1.00 0.00 H new ATOM 492 N THR A 33 13.174 6.730 -12.271 1.00 0.00 N ATOM 493 CA THR A 33 13.280 8.076 -12.819 1.00 0.00 C ATOM 494 C THR A 33 14.737 8.509 -12.936 1.00 0.00 C ATOM 495 O THR A 33 15.065 9.679 -12.740 1.00 0.00 O ATOM 496 CB THR A 33 12.521 9.098 -11.951 1.00 0.00 C ATOM 497 OG1 THR A 33 12.904 8.955 -10.579 1.00 0.00 O ATOM 498 CG2 THR A 33 11.017 8.910 -12.086 1.00 0.00 C ATOM 0 H THR A 33 13.665 6.595 -11.388 1.00 0.00 H new ATOM 0 HA THR A 33 12.831 8.049 -13.812 1.00 0.00 H new ATOM 0 HB THR A 33 12.779 10.099 -12.297 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.419 9.609 -10.034 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.502 9.642 -11.464 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.725 9.048 -13.127 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.746 7.905 -11.763 1.00 0.00 H new ATOM 506 N GLY A 34 15.609 7.558 -13.258 1.00 0.00 N ATOM 507 CA GLY A 34 17.021 7.862 -13.396 1.00 0.00 C ATOM 508 C GLY A 34 17.894 6.957 -12.549 1.00 0.00 C ATOM 509 O GLY A 34 18.900 6.432 -13.025 1.00 0.00 O ATOM 0 H GLY A 34 15.362 6.583 -13.426 1.00 0.00 H new ATOM 0 HA2 GLY A 34 17.310 7.765 -14.443 1.00 0.00 H new ATOM 0 HA3 GLY A 34 17.196 8.900 -13.112 1.00 0.00 H new ATOM 513 N MET A 35 17.510 6.775 -11.290 1.00 0.00 N ATOM 514 CA MET A 35 18.266 5.927 -10.376 1.00 0.00 C ATOM 515 C MET A 35 17.356 4.901 -9.707 1.00 0.00 C ATOM 516 O MET A 35 16.517 5.249 -8.876 1.00 0.00 O ATOM 517 CB MET A 35 18.960 6.780 -9.312 1.00 0.00 C ATOM 518 CG MET A 35 20.042 7.689 -9.873 1.00 0.00 C ATOM 519 SD MET A 35 20.395 9.093 -8.799 1.00 0.00 S ATOM 520 CE MET A 35 21.987 8.616 -8.130 1.00 0.00 C ATOM 0 H MET A 35 16.680 7.203 -10.880 1.00 0.00 H new ATOM 0 HA MET A 35 19.021 5.394 -10.955 1.00 0.00 H new ATOM 0 HB2 MET A 35 18.213 7.389 -8.802 1.00 0.00 H new ATOM 0 HB3 MET A 35 19.401 6.123 -8.562 1.00 0.00 H new ATOM 0 HG2 MET A 35 20.955 7.112 -10.022 1.00 0.00 H new ATOM 0 HG3 MET A 35 19.733 8.054 -10.852 1.00 0.00 H new ATOM 0 HE1 MET A 35 22.339 9.387 -7.445 1.00 0.00 H new ATOM 0 HE2 MET A 35 21.888 7.672 -7.595 1.00 0.00 H new ATOM 0 HE3 MET A 35 22.703 8.499 -8.943 1.00 0.00 H new ATOM 530 N LYS A 36 17.527 3.636 -10.076 1.00 0.00 N ATOM 531 CA LYS A 36 16.722 2.559 -9.512 1.00 0.00 C ATOM 532 C LYS A 36 16.867 2.509 -7.995 1.00 0.00 C ATOM 533 O LYS A 36 17.601 1.678 -7.458 1.00 0.00 O ATOM 534 CB LYS A 36 17.133 1.216 -10.119 1.00 0.00 C ATOM 535 CG LYS A 36 15.990 0.222 -10.228 1.00 0.00 C ATOM 536 CD LYS A 36 15.273 0.341 -11.562 1.00 0.00 C ATOM 537 CE LYS A 36 13.890 -0.290 -11.510 1.00 0.00 C ATOM 538 NZ LYS A 36 13.935 -1.751 -11.793 1.00 0.00 N ATOM 0 H LYS A 36 18.216 3.331 -10.763 1.00 0.00 H new ATOM 0 HA LYS A 36 15.677 2.755 -9.753 1.00 0.00 H new ATOM 0 HB2 LYS A 36 17.550 1.388 -11.111 1.00 0.00 H new ATOM 0 HB3 LYS A 36 17.926 0.780 -9.511 1.00 0.00 H new ATOM 0 HG2 LYS A 36 16.375 -0.791 -10.110 1.00 0.00 H new ATOM 0 HG3 LYS A 36 15.282 0.390 -9.417 1.00 0.00 H new ATOM 0 HD2 LYS A 36 15.184 1.392 -11.836 1.00 0.00 H new ATOM 0 HD3 LYS A 36 15.865 -0.142 -12.339 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.452 -0.124 -10.526 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.240 0.200 -12.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.037 -2.188 -11.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 14.083 -1.903 -12.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.717 -2.184 -11.261 1.00 0.00 H new ATOM 552 N LEU A 37 16.163 3.402 -7.308 1.00 0.00 N ATOM 553 CA LEU A 37 16.212 3.458 -5.851 1.00 0.00 C ATOM 554 C LEU A 37 14.854 3.116 -5.247 1.00 0.00 C ATOM 555 O LEU A 37 13.853 3.020 -5.958 1.00 0.00 O ATOM 556 CB LEU A 37 16.652 4.848 -5.389 1.00 0.00 C ATOM 557 CG LEU A 37 17.929 5.395 -6.029 1.00 0.00 C ATOM 558 CD1 LEU A 37 18.158 6.840 -5.614 1.00 0.00 C ATOM 559 CD2 LEU A 37 19.126 4.534 -5.650 1.00 0.00 C ATOM 0 H LEU A 37 15.552 4.097 -7.736 1.00 0.00 H new ATOM 0 HA LEU A 37 16.938 2.721 -5.508 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.841 5.549 -5.588 1.00 0.00 H new ATOM 0 HB3 LEU A 37 16.793 4.822 -4.309 1.00 0.00 H new ATOM 0 HG LEU A 37 17.812 5.364 -7.112 1.00 0.00 H new ATOM 0 HD11 LEU A 37 19.071 7.212 -6.079 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.313 7.449 -5.935 1.00 0.00 H new ATOM 0 HD13 LEU A 37 18.254 6.896 -4.530 1.00 0.00 H new ATOM 0 HD21 LEU A 37 20.026 4.938 -6.114 1.00 0.00 H new ATOM 0 HD22 LEU A 37 19.245 4.533 -4.567 1.00 0.00 H new ATOM 0 HD23 LEU A 37 18.965 3.514 -5.998 1.00 0.00 H new ATOM 571 N TRP A 38 14.826 2.935 -3.931 1.00 0.00 N ATOM 572 CA TRP A 38 13.590 2.606 -3.231 1.00 0.00 C ATOM 573 C TRP A 38 13.130 3.771 -2.361 1.00 0.00 C ATOM 574 O TRP A 38 13.911 4.329 -1.590 1.00 0.00 O ATOM 575 CB TRP A 38 13.784 1.357 -2.370 1.00 0.00 C ATOM 576 CG TRP A 38 14.333 0.189 -3.134 1.00 0.00 C ATOM 577 CD1 TRP A 38 15.650 -0.094 -3.363 1.00 0.00 C ATOM 578 CD2 TRP A 38 13.581 -0.850 -3.769 1.00 0.00 C ATOM 579 NE1 TRP A 38 15.760 -1.247 -4.103 1.00 0.00 N ATOM 580 CE2 TRP A 38 14.506 -1.730 -4.364 1.00 0.00 C ATOM 581 CE3 TRP A 38 12.216 -1.123 -3.892 1.00 0.00 C ATOM 582 CZ2 TRP A 38 14.107 -2.861 -5.071 1.00 0.00 C ATOM 583 CZ3 TRP A 38 11.822 -2.246 -4.594 1.00 0.00 C ATOM 584 CH2 TRP A 38 12.765 -3.105 -5.176 1.00 0.00 C ATOM 0 H TRP A 38 15.645 3.011 -3.328 1.00 0.00 H new ATOM 0 HA TRP A 38 12.821 2.408 -3.978 1.00 0.00 H new ATOM 0 HB2 TRP A 38 14.458 1.593 -1.547 1.00 0.00 H new ATOM 0 HB3 TRP A 38 12.828 1.076 -1.929 1.00 0.00 H new ATOM 0 HD1 TRP A 38 16.482 0.500 -3.014 1.00 0.00 H new ATOM 0 HE1 TRP A 38 16.635 -1.674 -4.408 1.00 0.00 H new ATOM 0 HE3 TRP A 38 11.482 -0.468 -3.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 14.832 -3.523 -5.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 10.770 -2.466 -4.696 1.00 0.00 H new ATOM 0 HH2 TRP A 38 12.426 -3.976 -5.717 1.00 0.00 H new ATOM 595 N LYS A 39 11.858 4.133 -2.489 1.00 0.00 N ATOM 596 CA LYS A 39 11.293 5.231 -1.714 1.00 0.00 C ATOM 597 C LYS A 39 10.226 4.723 -0.749 1.00 0.00 C ATOM 598 O LYS A 39 9.565 3.718 -1.011 1.00 0.00 O ATOM 599 CB LYS A 39 10.692 6.285 -2.646 1.00 0.00 C ATOM 600 CG LYS A 39 11.726 7.018 -3.483 1.00 0.00 C ATOM 601 CD LYS A 39 12.521 8.006 -2.647 1.00 0.00 C ATOM 602 CE LYS A 39 13.801 8.430 -3.351 1.00 0.00 C ATOM 603 NZ LYS A 39 13.589 9.626 -4.214 1.00 0.00 N ATOM 0 H LYS A 39 11.198 3.681 -3.123 1.00 0.00 H new ATOM 0 HA LYS A 39 12.097 5.684 -1.134 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.974 5.804 -3.310 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.138 7.011 -2.051 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.404 6.297 -3.938 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.229 7.546 -4.297 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.910 8.885 -2.441 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.766 7.556 -1.685 1.00 0.00 H new ATOM 0 HE2 LYS A 39 14.568 8.649 -2.609 1.00 0.00 H new ATOM 0 HE3 LYS A 39 14.172 7.605 -3.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.484 9.884 -4.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.875 9.409 -4.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.259 10.421 -3.630 1.00 0.00 H new ATOM 617 N LYS A 40 10.063 5.424 0.368 1.00 0.00 N ATOM 618 CA LYS A 40 9.074 5.047 1.371 1.00 0.00 C ATOM 619 C LYS A 40 7.756 5.778 1.138 1.00 0.00 C ATOM 620 O LYS A 40 7.742 6.966 0.818 1.00 0.00 O ATOM 621 CB LYS A 40 9.599 5.356 2.775 1.00 0.00 C ATOM 622 CG LYS A 40 8.988 4.484 3.858 1.00 0.00 C ATOM 623 CD LYS A 40 9.721 4.640 5.180 1.00 0.00 C ATOM 624 CE LYS A 40 9.130 3.741 6.255 1.00 0.00 C ATOM 625 NZ LYS A 40 10.153 3.321 7.252 1.00 0.00 N ATOM 0 H LYS A 40 10.604 6.257 0.602 1.00 0.00 H new ATOM 0 HA LYS A 40 8.895 3.975 1.283 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.681 5.229 2.785 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.399 6.402 3.007 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.939 4.748 3.990 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.018 3.440 3.546 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.775 4.400 5.043 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.670 5.679 5.505 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.322 4.266 6.764 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.693 2.858 5.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.710 2.710 7.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.912 2.797 6.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.552 4.162 7.715 1.00 0.00 H new ATOM 639 N ARG A 41 6.650 5.059 1.301 1.00 0.00 N ATOM 640 CA ARG A 41 5.326 5.640 1.109 1.00 0.00 C ATOM 641 C ARG A 41 4.263 4.822 1.836 1.00 0.00 C ATOM 642 O ARG A 41 4.422 3.619 2.038 1.00 0.00 O ATOM 643 CB ARG A 41 4.993 5.720 -0.382 1.00 0.00 C ATOM 644 CG ARG A 41 3.828 6.644 -0.697 1.00 0.00 C ATOM 645 CD ARG A 41 4.295 8.074 -0.915 1.00 0.00 C ATOM 646 NE ARG A 41 5.264 8.174 -2.003 1.00 0.00 N ATOM 647 CZ ARG A 41 4.926 8.205 -3.287 1.00 0.00 C ATOM 648 NH1 ARG A 41 3.650 8.144 -3.642 1.00 0.00 N ATOM 649 NH2 ARG A 41 5.866 8.297 -4.220 1.00 0.00 N ATOM 0 H ARG A 41 6.644 4.074 1.565 1.00 0.00 H new ATOM 0 HA ARG A 41 5.334 6.647 1.527 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.874 6.062 -0.925 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.762 4.720 -0.748 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.311 6.289 -1.589 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.108 6.616 0.121 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.435 8.706 -1.136 1.00 0.00 H new ATOM 0 HD3 ARG A 41 4.742 8.453 0.004 1.00 0.00 H new ATOM 0 HE ARG A 41 6.254 8.223 -1.764 1.00 0.00 H new ATOM 0 HH11 ARG A 41 2.925 8.073 -2.928 1.00 0.00 H new ATOM 0 HH12 ARG A 41 3.394 8.168 -4.629 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.849 8.344 -3.951 1.00 0.00 H new ATOM 0 HH22 ARG A 41 5.605 8.321 -5.206 1.00 0.00 H new ATOM 663 N TRP A 42 3.179 5.484 2.226 1.00 0.00 N ATOM 664 CA TRP A 42 2.090 4.819 2.931 1.00 0.00 C ATOM 665 C TRP A 42 1.212 4.035 1.961 1.00 0.00 C ATOM 666 O TRP A 42 0.675 4.594 1.005 1.00 0.00 O ATOM 667 CB TRP A 42 1.245 5.843 3.690 1.00 0.00 C ATOM 668 CG TRP A 42 0.288 5.221 4.661 1.00 0.00 C ATOM 669 CD1 TRP A 42 -1.055 5.451 4.750 1.00 0.00 C ATOM 670 CD2 TRP A 42 0.602 4.269 5.683 1.00 0.00 C ATOM 671 NE1 TRP A 42 -1.595 4.699 5.765 1.00 0.00 N ATOM 672 CE2 TRP A 42 -0.599 3.964 6.352 1.00 0.00 C ATOM 673 CE3 TRP A 42 1.781 3.642 6.096 1.00 0.00 C ATOM 674 CZ2 TRP A 42 -0.653 3.062 7.412 1.00 0.00 C ATOM 675 CZ3 TRP A 42 1.726 2.747 7.147 1.00 0.00 C ATOM 676 CH2 TRP A 42 0.517 2.463 7.795 1.00 0.00 C ATOM 0 H TRP A 42 3.031 6.480 2.066 1.00 0.00 H new ATOM 0 HA TRP A 42 2.526 4.119 3.644 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.907 6.522 4.228 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.685 6.444 2.973 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.611 6.125 4.116 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.578 4.689 6.037 1.00 0.00 H new ATOM 0 HE3 TRP A 42 2.718 3.853 5.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.584 2.843 7.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 2.631 2.258 7.475 1.00 0.00 H new ATOM 0 HH2 TRP A 42 0.508 1.758 8.613 1.00 0.00 H new ATOM 687 N PHE A 43 1.070 2.738 2.214 1.00 0.00 N ATOM 688 CA PHE A 43 0.257 1.878 1.362 1.00 0.00 C ATOM 689 C PHE A 43 -0.890 1.256 2.153 1.00 0.00 C ATOM 690 O PHE A 43 -0.900 1.290 3.384 1.00 0.00 O ATOM 691 CB PHE A 43 1.120 0.777 0.741 1.00 0.00 C ATOM 692 CG PHE A 43 1.867 1.220 -0.484 1.00 0.00 C ATOM 693 CD1 PHE A 43 1.255 1.205 -1.727 1.00 0.00 C ATOM 694 CD2 PHE A 43 3.180 1.652 -0.393 1.00 0.00 C ATOM 695 CE1 PHE A 43 1.941 1.611 -2.857 1.00 0.00 C ATOM 696 CE2 PHE A 43 3.870 2.060 -1.518 1.00 0.00 C ATOM 697 CZ PHE A 43 3.250 2.040 -2.752 1.00 0.00 C ATOM 0 H PHE A 43 1.507 2.260 3.002 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.165 2.492 0.566 1.00 0.00 H new ATOM 0 HB2 PHE A 43 1.835 0.424 1.485 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.484 -0.070 0.483 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.231 0.873 -1.814 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.670 1.670 0.569 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.454 1.593 -3.821 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.893 2.394 -1.433 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.787 2.359 -3.633 1.00 0.00 H new ATOM 707 N VAL A 44 -1.856 0.689 1.437 1.00 0.00 N ATOM 708 CA VAL A 44 -3.007 0.058 2.071 1.00 0.00 C ATOM 709 C VAL A 44 -3.636 -0.985 1.154 1.00 0.00 C ATOM 710 O VAL A 44 -3.876 -0.727 -0.026 1.00 0.00 O ATOM 711 CB VAL A 44 -4.076 1.099 2.455 1.00 0.00 C ATOM 712 CG1 VAL A 44 -5.334 0.410 2.963 1.00 0.00 C ATOM 713 CG2 VAL A 44 -3.529 2.063 3.497 1.00 0.00 C ATOM 0 H VAL A 44 -1.864 0.654 0.418 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.643 -0.430 2.975 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.338 1.671 1.565 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.078 1.161 3.229 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.735 -0.237 2.183 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.092 -0.188 3.841 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.297 2.792 3.757 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.238 1.508 4.389 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.659 2.581 3.093 1.00 0.00 H new ATOM 723 N LEU A 45 -3.902 -2.165 1.705 1.00 0.00 N ATOM 724 CA LEU A 45 -4.504 -3.249 0.937 1.00 0.00 C ATOM 725 C LEU A 45 -5.978 -3.415 1.293 1.00 0.00 C ATOM 726 O LEU A 45 -6.318 -4.053 2.289 1.00 0.00 O ATOM 727 CB LEU A 45 -3.756 -4.558 1.192 1.00 0.00 C ATOM 728 CG LEU A 45 -3.731 -5.555 0.032 1.00 0.00 C ATOM 729 CD1 LEU A 45 -5.050 -6.307 -0.053 1.00 0.00 C ATOM 730 CD2 LEU A 45 -3.437 -4.840 -1.279 1.00 0.00 C ATOM 0 H LEU A 45 -3.710 -2.395 2.680 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.431 -2.996 -0.121 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.727 -4.319 1.461 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.206 -5.048 2.056 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.935 -6.277 0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.014 -7.012 -0.884 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.220 -6.850 0.877 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.863 -5.599 -0.213 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.423 -5.564 -2.093 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.210 -4.096 -1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.467 -4.347 -1.215 1.00 0.00 H new ATOM 742 N SER A 46 -6.849 -2.838 0.471 1.00 0.00 N ATOM 743 CA SER A 46 -8.287 -2.921 0.700 1.00 0.00 C ATOM 744 C SER A 46 -9.025 -3.246 -0.595 1.00 0.00 C ATOM 745 O SER A 46 -8.583 -2.877 -1.684 1.00 0.00 O ATOM 746 CB SER A 46 -8.808 -1.605 1.281 1.00 0.00 C ATOM 747 OG SER A 46 -9.191 -0.709 0.252 1.00 0.00 O ATOM 0 H SER A 46 -6.584 -2.308 -0.359 1.00 0.00 H new ATOM 0 HA SER A 46 -8.471 -3.724 1.414 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.660 -1.803 1.931 1.00 0.00 H new ATOM 0 HB3 SER A 46 -8.036 -1.146 1.899 1.00 0.00 H new ATOM 0 HG SER A 46 -8.440 -0.579 -0.364 1.00 0.00 H new ATOM 753 N ASP A 47 -10.152 -3.938 -0.468 1.00 0.00 N ATOM 754 CA ASP A 47 -10.953 -4.313 -1.627 1.00 0.00 C ATOM 755 C ASP A 47 -10.070 -4.859 -2.745 1.00 0.00 C ATOM 756 O ASP A 47 -10.231 -4.496 -3.911 1.00 0.00 O ATOM 757 CB ASP A 47 -11.752 -3.110 -2.133 1.00 0.00 C ATOM 758 CG ASP A 47 -12.967 -3.520 -2.941 1.00 0.00 C ATOM 759 OD1 ASP A 47 -13.539 -4.591 -2.649 1.00 0.00 O ATOM 760 OD2 ASP A 47 -13.345 -2.771 -3.866 1.00 0.00 O ATOM 0 H ASP A 47 -10.531 -4.250 0.426 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.646 -5.097 -1.320 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.071 -2.506 -1.283 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.107 -2.481 -2.746 1.00 0.00 H new ATOM 765 N LEU A 48 -9.137 -5.732 -2.382 1.00 0.00 N ATOM 766 CA LEU A 48 -8.227 -6.328 -3.354 1.00 0.00 C ATOM 767 C LEU A 48 -7.654 -5.265 -4.286 1.00 0.00 C ATOM 768 O LEU A 48 -7.617 -5.448 -5.504 1.00 0.00 O ATOM 769 CB LEU A 48 -8.951 -7.400 -4.169 1.00 0.00 C ATOM 770 CG LEU A 48 -9.305 -8.687 -3.422 1.00 0.00 C ATOM 771 CD1 LEU A 48 -8.074 -9.264 -2.741 1.00 0.00 C ATOM 772 CD2 LEU A 48 -10.406 -8.427 -2.405 1.00 0.00 C ATOM 0 H LEU A 48 -8.991 -6.043 -1.422 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.403 -6.789 -2.809 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.871 -6.968 -4.564 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.328 -7.660 -5.025 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.670 -9.416 -4.145 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.345 -10.179 -2.215 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.315 -9.488 -3.490 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.679 -8.539 -2.029 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -10.645 -9.353 -1.883 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -10.068 -7.682 -1.685 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -11.295 -8.059 -2.917 1.00 0.00 H new ATOM 784 N CYS A 49 -7.207 -4.156 -3.707 1.00 0.00 N ATOM 785 CA CYS A 49 -6.634 -3.064 -4.486 1.00 0.00 C ATOM 786 C CYS A 49 -5.583 -2.311 -3.676 1.00 0.00 C ATOM 787 O CYS A 49 -5.578 -2.364 -2.445 1.00 0.00 O ATOM 788 CB CYS A 49 -7.732 -2.102 -4.938 1.00 0.00 C ATOM 789 SG CYS A 49 -7.179 -0.856 -6.127 1.00 0.00 S ATOM 0 H CYS A 49 -7.230 -3.989 -2.701 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.151 -3.492 -5.365 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.544 -2.678 -5.382 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -8.141 -1.597 -4.063 1.00 0.00 H new ATOM 0 HG CYS A 49 -7.501 0.328 -5.697 1.00 0.00 H new ATOM 795 N LEU A 50 -4.694 -1.613 -4.373 1.00 0.00 N ATOM 796 CA LEU A 50 -3.637 -0.850 -3.719 1.00 0.00 C ATOM 797 C LEU A 50 -4.023 0.620 -3.595 1.00 0.00 C ATOM 798 O LEU A 50 -4.570 1.210 -4.528 1.00 0.00 O ATOM 799 CB LEU A 50 -2.328 -0.981 -4.500 1.00 0.00 C ATOM 800 CG LEU A 50 -1.419 -2.142 -4.095 1.00 0.00 C ATOM 801 CD1 LEU A 50 -0.141 -2.131 -4.920 1.00 0.00 C ATOM 802 CD2 LEU A 50 -1.097 -2.074 -2.609 1.00 0.00 C ATOM 0 H LEU A 50 -4.684 -1.559 -5.392 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.497 -1.256 -2.717 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.568 -1.086 -5.558 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.768 -0.052 -4.391 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.946 -3.076 -4.290 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.494 -2.964 -4.618 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.389 -2.228 -5.977 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.389 -1.193 -4.757 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.449 -2.908 -2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.590 -1.134 -2.389 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.021 -2.131 -2.034 1.00 0.00 H new ATOM 814 N PHE A 51 -3.734 1.208 -2.439 1.00 0.00 N ATOM 815 CA PHE A 51 -4.049 2.610 -2.194 1.00 0.00 C ATOM 816 C PHE A 51 -2.979 3.264 -1.324 1.00 0.00 C ATOM 817 O PHE A 51 -2.680 2.792 -0.227 1.00 0.00 O ATOM 818 CB PHE A 51 -5.417 2.736 -1.520 1.00 0.00 C ATOM 819 CG PHE A 51 -6.553 2.251 -2.374 1.00 0.00 C ATOM 820 CD1 PHE A 51 -6.849 2.874 -3.576 1.00 0.00 C ATOM 821 CD2 PHE A 51 -7.326 1.172 -1.975 1.00 0.00 C ATOM 822 CE1 PHE A 51 -7.894 2.430 -4.365 1.00 0.00 C ATOM 823 CE2 PHE A 51 -8.371 0.723 -2.760 1.00 0.00 C ATOM 824 CZ PHE A 51 -8.656 1.354 -3.955 1.00 0.00 C ATOM 0 H PHE A 51 -3.282 0.735 -1.657 1.00 0.00 H new ATOM 0 HA PHE A 51 -4.075 3.124 -3.155 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.407 2.171 -0.588 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.590 3.780 -1.259 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.256 3.717 -3.900 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.109 0.677 -1.040 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -8.114 2.924 -5.300 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -8.964 -0.121 -2.439 1.00 0.00 H new ATOM 0 HZ PHE A 51 -9.474 1.006 -4.568 1.00 0.00 H new ATOM 834 N TYR A 52 -2.406 4.354 -1.823 1.00 0.00 N ATOM 835 CA TYR A 52 -1.367 5.072 -1.094 1.00 0.00 C ATOM 836 C TYR A 52 -1.709 6.555 -0.978 1.00 0.00 C ATOM 837 O TYR A 52 -2.527 7.076 -1.737 1.00 0.00 O ATOM 838 CB TYR A 52 -0.016 4.902 -1.790 1.00 0.00 C ATOM 839 CG TYR A 52 -0.059 5.188 -3.274 1.00 0.00 C ATOM 840 CD1 TYR A 52 -0.029 6.493 -3.751 1.00 0.00 C ATOM 841 CD2 TYR A 52 -0.129 4.155 -4.200 1.00 0.00 C ATOM 842 CE1 TYR A 52 -0.069 6.760 -5.105 1.00 0.00 C ATOM 843 CE2 TYR A 52 -0.168 4.412 -5.557 1.00 0.00 C ATOM 844 CZ TYR A 52 -0.138 5.716 -6.004 1.00 0.00 C ATOM 845 OH TYR A 52 -0.177 5.977 -7.355 1.00 0.00 O ATOM 0 H TYR A 52 -2.643 4.759 -2.728 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.306 4.652 -0.090 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.711 5.566 -1.322 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.337 3.883 -1.635 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.027 7.313 -3.050 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.153 3.133 -3.853 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.046 7.780 -5.458 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.222 3.597 -6.263 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.224 5.133 -7.850 1.00 0.00 H new ATOM 855 N TYR A 53 -1.076 7.228 -0.024 1.00 0.00 N ATOM 856 CA TYR A 53 -1.312 8.650 0.193 1.00 0.00 C ATOM 857 C TYR A 53 -0.008 9.378 0.504 1.00 0.00 C ATOM 858 O TYR A 53 1.057 8.765 0.571 1.00 0.00 O ATOM 859 CB TYR A 53 -2.308 8.854 1.337 1.00 0.00 C ATOM 860 CG TYR A 53 -3.391 7.800 1.391 1.00 0.00 C ATOM 861 CD1 TYR A 53 -3.078 6.463 1.602 1.00 0.00 C ATOM 862 CD2 TYR A 53 -4.729 8.142 1.232 1.00 0.00 C ATOM 863 CE1 TYR A 53 -4.064 5.497 1.652 1.00 0.00 C ATOM 864 CE2 TYR A 53 -5.722 7.183 1.281 1.00 0.00 C ATOM 865 CZ TYR A 53 -5.385 5.862 1.491 1.00 0.00 C ATOM 866 OH TYR A 53 -6.370 4.903 1.541 1.00 0.00 O ATOM 0 H TYR A 53 -0.395 6.812 0.611 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.730 9.067 -0.723 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.767 8.856 2.283 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.772 9.835 1.233 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -2.045 6.174 1.729 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.997 9.175 1.067 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.803 4.462 1.816 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.757 7.466 1.156 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.680 4.800 2.465 1.00 0.00 H new ATOM 876 N ARG A 54 -0.102 10.690 0.694 1.00 0.00 N ATOM 877 CA ARG A 54 1.070 11.503 0.998 1.00 0.00 C ATOM 878 C ARG A 54 1.811 10.957 2.215 1.00 0.00 C ATOM 879 O ARG A 54 3.029 10.781 2.185 1.00 0.00 O ATOM 880 CB ARG A 54 0.658 12.955 1.248 1.00 0.00 C ATOM 881 CG ARG A 54 0.433 13.753 -0.027 1.00 0.00 C ATOM 882 CD ARG A 54 0.082 15.201 0.277 1.00 0.00 C ATOM 883 NE ARG A 54 0.113 16.034 -0.922 1.00 0.00 N ATOM 884 CZ ARG A 54 -0.296 17.298 -0.950 1.00 0.00 C ATOM 885 NH1 ARG A 54 -0.765 17.870 0.150 1.00 0.00 N ATOM 886 NH2 ARG A 54 -0.237 17.991 -2.080 1.00 0.00 N ATOM 0 H ARG A 54 -0.977 11.212 0.643 1.00 0.00 H new ATOM 0 HA ARG A 54 1.740 11.464 0.139 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.257 12.967 1.840 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.429 13.445 1.842 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.331 13.717 -0.643 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.370 13.297 -0.606 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.911 15.247 0.725 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.782 15.597 1.012 1.00 0.00 H new ATOM 0 HE ARG A 54 0.468 15.623 -1.785 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.812 17.340 1.020 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.078 18.840 0.126 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.123 17.554 -2.928 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.551 18.961 -2.100 1.00 0.00 H new ATOM 900 N ASP A 55 1.067 10.691 3.283 1.00 0.00 N ATOM 901 CA ASP A 55 1.653 10.164 4.510 1.00 0.00 C ATOM 902 C ASP A 55 0.627 9.357 5.299 1.00 0.00 C ATOM 903 O ASP A 55 -0.497 9.149 4.842 1.00 0.00 O ATOM 904 CB ASP A 55 2.195 11.305 5.373 1.00 0.00 C ATOM 905 CG ASP A 55 1.228 12.469 5.468 1.00 0.00 C ATOM 906 OD1 ASP A 55 0.121 12.368 4.898 1.00 0.00 O ATOM 907 OD2 ASP A 55 1.578 13.481 6.111 1.00 0.00 O ATOM 0 H ASP A 55 0.058 10.832 3.324 1.00 0.00 H new ATOM 0 HA ASP A 55 2.476 9.504 4.236 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.407 10.930 6.374 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.140 11.654 4.957 1.00 0.00 H new ATOM 912 N GLU A 56 1.022 8.903 6.484 1.00 0.00 N ATOM 913 CA GLU A 56 0.137 8.117 7.335 1.00 0.00 C ATOM 914 C GLU A 56 -1.221 8.797 7.484 1.00 0.00 C ATOM 915 O GLU A 56 -2.249 8.135 7.620 1.00 0.00 O ATOM 916 CB GLU A 56 0.769 7.908 8.713 1.00 0.00 C ATOM 917 CG GLU A 56 0.951 9.195 9.500 1.00 0.00 C ATOM 918 CD GLU A 56 2.129 10.016 9.012 1.00 0.00 C ATOM 919 OE1 GLU A 56 3.163 9.415 8.653 1.00 0.00 O ATOM 920 OE2 GLU A 56 2.016 11.260 8.989 1.00 0.00 O ATOM 0 H GLU A 56 1.949 9.066 6.876 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.012 7.147 6.861 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.146 7.224 9.289 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.739 7.427 8.589 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.042 9.792 9.428 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.092 8.955 10.554 1.00 0.00 H new ATOM 927 N LYS A 57 -1.216 10.126 7.458 1.00 0.00 N ATOM 928 CA LYS A 57 -2.445 10.899 7.589 1.00 0.00 C ATOM 929 C LYS A 57 -3.533 10.351 6.671 1.00 0.00 C ATOM 930 O LYS A 57 -4.723 10.513 6.939 1.00 0.00 O ATOM 931 CB LYS A 57 -2.183 12.371 7.264 1.00 0.00 C ATOM 932 CG LYS A 57 -1.068 12.987 8.091 1.00 0.00 C ATOM 933 CD LYS A 57 -1.455 13.097 9.556 1.00 0.00 C ATOM 934 CE LYS A 57 -2.250 14.364 9.830 1.00 0.00 C ATOM 935 NZ LYS A 57 -1.366 15.509 10.181 1.00 0.00 N ATOM 0 H LYS A 57 -0.373 10.690 7.347 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.788 10.816 8.620 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.933 12.462 6.207 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.100 12.939 7.425 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.167 12.381 7.996 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.829 13.977 7.702 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.045 12.227 9.844 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.556 13.090 10.172 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.842 14.619 8.951 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.951 14.184 10.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.946 16.353 10.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.820 15.277 11.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.714 15.698 9.393 1.00 0.00 H new ATOM 949 N GLU A 58 -3.116 9.701 5.589 1.00 0.00 N ATOM 950 CA GLU A 58 -4.056 9.129 4.632 1.00 0.00 C ATOM 951 C GLU A 58 -5.022 10.191 4.117 1.00 0.00 C ATOM 952 O GLU A 58 -6.216 9.937 3.965 1.00 0.00 O ATOM 953 CB GLU A 58 -4.838 7.982 5.276 1.00 0.00 C ATOM 954 CG GLU A 58 -4.097 6.656 5.261 1.00 0.00 C ATOM 955 CD GLU A 58 -4.790 5.591 6.090 1.00 0.00 C ATOM 956 OE1 GLU A 58 -5.359 5.937 7.145 1.00 0.00 O ATOM 957 OE2 GLU A 58 -4.762 4.411 5.681 1.00 0.00 O ATOM 0 H GLU A 58 -2.134 9.557 5.353 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.485 8.742 3.788 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.071 8.247 6.307 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.788 7.864 4.755 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.004 6.307 4.232 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.086 6.805 5.639 1.00 0.00 H new ATOM 964 N GLU A 59 -4.495 11.382 3.850 1.00 0.00 N ATOM 965 CA GLU A 59 -5.311 12.484 3.353 1.00 0.00 C ATOM 966 C GLU A 59 -5.323 12.507 1.827 1.00 0.00 C ATOM 967 O GLU A 59 -4.325 12.848 1.193 1.00 0.00 O ATOM 968 CB GLU A 59 -4.788 13.818 3.890 1.00 0.00 C ATOM 969 CG GLU A 59 -4.548 13.818 5.390 1.00 0.00 C ATOM 970 CD GLU A 59 -4.750 15.186 6.013 1.00 0.00 C ATOM 971 OE1 GLU A 59 -5.831 15.777 5.808 1.00 0.00 O ATOM 972 OE2 GLU A 59 -3.827 15.665 6.704 1.00 0.00 O ATOM 0 H GLU A 59 -3.508 11.608 3.969 1.00 0.00 H new ATOM 0 HA GLU A 59 -6.332 12.334 3.705 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.856 14.064 3.381 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.502 14.604 3.645 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.223 13.105 5.862 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.532 13.477 5.592 1.00 0.00 H new ATOM 979 N GLY A 60 -6.460 12.140 1.244 1.00 0.00 N ATOM 980 CA GLY A 60 -6.581 12.125 -0.202 1.00 0.00 C ATOM 981 C GLY A 60 -5.602 11.170 -0.856 1.00 0.00 C ATOM 982 O GLY A 60 -4.419 11.154 -0.514 1.00 0.00 O ATOM 0 H GLY A 60 -7.299 11.853 1.747 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.597 11.842 -0.476 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.415 13.131 -0.588 1.00 0.00 H new ATOM 986 N ILE A 61 -6.095 10.372 -1.797 1.00 0.00 N ATOM 987 CA ILE A 61 -5.254 9.410 -2.499 1.00 0.00 C ATOM 988 C ILE A 61 -4.573 10.051 -3.703 1.00 0.00 C ATOM 989 O ILE A 61 -5.232 10.634 -4.565 1.00 0.00 O ATOM 990 CB ILE A 61 -6.068 8.191 -2.972 1.00 0.00 C ATOM 991 CG1 ILE A 61 -6.787 7.541 -1.788 1.00 0.00 C ATOM 992 CG2 ILE A 61 -5.160 7.185 -3.664 1.00 0.00 C ATOM 993 CD1 ILE A 61 -7.657 6.367 -2.181 1.00 0.00 C ATOM 0 H ILE A 61 -7.072 10.372 -2.091 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.495 9.077 -1.790 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.818 8.528 -3.688 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.046 7.207 -1.062 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.404 8.290 -1.292 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.749 6.329 -3.993 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.689 7.654 -4.528 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.391 6.850 -2.968 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.136 5.955 -1.292 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.421 6.699 -2.884 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.042 5.599 -2.650 1.00 0.00 H new ATOM 1005 N LEU A 62 -3.251 9.938 -3.758 1.00 0.00 N ATOM 1006 CA LEU A 62 -2.479 10.505 -4.859 1.00 0.00 C ATOM 1007 C LEU A 62 -2.612 9.649 -6.114 1.00 0.00 C ATOM 1008 O LEU A 62 -2.622 10.164 -7.231 1.00 0.00 O ATOM 1009 CB LEU A 62 -1.006 10.628 -4.465 1.00 0.00 C ATOM 1010 CG LEU A 62 -0.726 10.855 -2.979 1.00 0.00 C ATOM 1011 CD1 LEU A 62 0.749 11.148 -2.754 1.00 0.00 C ATOM 1012 CD2 LEU A 62 -1.585 11.990 -2.442 1.00 0.00 C ATOM 0 H LEU A 62 -2.691 9.459 -3.053 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.875 11.497 -5.075 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.490 9.720 -4.777 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.568 11.453 -5.027 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.982 9.945 -2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.930 11.307 -1.691 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.345 10.304 -3.102 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.031 12.043 -3.308 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.373 12.138 -1.383 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.360 12.906 -2.988 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.638 11.741 -2.569 1.00 0.00 H new ATOM 1024 N GLY A 63 -2.716 8.337 -5.922 1.00 0.00 N ATOM 1025 CA GLY A 63 -2.849 7.431 -7.048 1.00 0.00 C ATOM 1026 C GLY A 63 -3.208 6.022 -6.618 1.00 0.00 C ATOM 1027 O GLY A 63 -2.699 5.523 -5.615 1.00 0.00 O ATOM 0 H GLY A 63 -2.710 7.886 -5.007 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.616 7.808 -7.725 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.913 7.410 -7.606 1.00 0.00 H new ATOM 1031 N SER A 64 -4.088 5.379 -7.379 1.00 0.00 N ATOM 1032 CA SER A 64 -4.518 4.021 -7.068 1.00 0.00 C ATOM 1033 C SER A 64 -3.867 3.015 -8.012 1.00 0.00 C ATOM 1034 O SER A 64 -3.597 3.322 -9.174 1.00 0.00 O ATOM 1035 CB SER A 64 -6.042 3.912 -7.161 1.00 0.00 C ATOM 1036 OG SER A 64 -6.527 4.545 -8.333 1.00 0.00 O ATOM 0 H SER A 64 -4.517 5.776 -8.215 1.00 0.00 H new ATOM 0 HA SER A 64 -4.205 3.792 -6.049 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.335 2.862 -7.163 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.497 4.369 -6.282 1.00 0.00 H new ATOM 0 HG SER A 64 -7.503 4.460 -8.371 1.00 0.00 H new ATOM 1042 N ILE A 65 -3.616 1.813 -7.505 1.00 0.00 N ATOM 1043 CA ILE A 65 -2.997 0.761 -8.302 1.00 0.00 C ATOM 1044 C ILE A 65 -3.834 -0.514 -8.275 1.00 0.00 C ATOM 1045 O ILE A 65 -4.152 -1.038 -7.207 1.00 0.00 O ATOM 1046 CB ILE A 65 -1.576 0.440 -7.804 1.00 0.00 C ATOM 1047 CG1 ILE A 65 -0.598 1.531 -8.245 1.00 0.00 C ATOM 1048 CG2 ILE A 65 -1.129 -0.920 -8.320 1.00 0.00 C ATOM 1049 CD1 ILE A 65 0.701 1.527 -7.471 1.00 0.00 C ATOM 0 H ILE A 65 -3.832 1.543 -6.545 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.939 1.133 -9.325 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.587 0.408 -6.715 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.380 1.405 -9.306 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.076 2.504 -8.131 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.123 -1.133 -7.960 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.813 -1.688 -7.961 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.130 -0.914 -9.410 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.345 2.326 -7.837 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.494 1.684 -6.412 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.201 0.568 -7.605 1.00 0.00 H new ATOM 1061 N LEU A 66 -4.186 -1.008 -9.456 1.00 0.00 N ATOM 1062 CA LEU A 66 -4.985 -2.224 -9.569 1.00 0.00 C ATOM 1063 C LEU A 66 -4.098 -3.464 -9.517 1.00 0.00 C ATOM 1064 O LEU A 66 -3.335 -3.734 -10.445 1.00 0.00 O ATOM 1065 CB LEU A 66 -5.788 -2.211 -10.871 1.00 0.00 C ATOM 1066 CG LEU A 66 -7.191 -1.610 -10.788 1.00 0.00 C ATOM 1067 CD1 LEU A 66 -8.085 -2.461 -9.899 1.00 0.00 C ATOM 1068 CD2 LEU A 66 -7.129 -0.180 -10.271 1.00 0.00 C ATOM 0 H LEU A 66 -3.931 -0.586 -10.349 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.674 -2.257 -8.725 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.221 -1.657 -11.619 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.874 -3.236 -11.231 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.618 -1.595 -11.791 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.080 -2.017 -9.852 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.156 -3.468 -10.311 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.661 -2.509 -8.896 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.137 0.232 -10.218 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.681 -0.171 -9.277 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.524 0.425 -10.947 1.00 0.00 H new ATOM 1080 N LEU A 67 -4.206 -4.217 -8.428 1.00 0.00 N ATOM 1081 CA LEU A 67 -3.416 -5.431 -8.256 1.00 0.00 C ATOM 1082 C LEU A 67 -3.841 -6.503 -9.254 1.00 0.00 C ATOM 1083 O LEU A 67 -3.013 -7.174 -9.872 1.00 0.00 O ATOM 1084 CB LEU A 67 -3.564 -5.961 -6.828 1.00 0.00 C ATOM 1085 CG LEU A 67 -2.538 -5.453 -5.814 1.00 0.00 C ATOM 1086 CD1 LEU A 67 -2.793 -6.065 -4.445 1.00 0.00 C ATOM 1087 CD2 LEU A 67 -1.125 -5.763 -6.285 1.00 0.00 C ATOM 0 H LEU A 67 -4.833 -4.008 -7.651 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.370 -5.184 -8.439 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.560 -5.703 -6.467 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.508 -7.049 -6.858 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.642 -4.371 -5.730 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.053 -5.692 -3.736 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.792 -5.792 -4.105 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.717 -7.150 -4.512 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.408 -5.394 -5.551 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.007 -6.841 -6.398 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.946 -5.276 -7.244 1.00 0.00 H new ATOM 1099 N PRO A 68 -5.161 -6.669 -9.420 1.00 0.00 N ATOM 1100 CA PRO A 68 -5.725 -7.656 -10.345 1.00 0.00 C ATOM 1101 C PRO A 68 -5.071 -7.602 -11.721 1.00 0.00 C ATOM 1102 O PRO A 68 -5.056 -8.592 -12.452 1.00 0.00 O ATOM 1103 CB PRO A 68 -7.199 -7.254 -10.438 1.00 0.00 C ATOM 1104 CG PRO A 68 -7.483 -6.555 -9.153 1.00 0.00 C ATOM 1105 CD PRO A 68 -6.205 -5.905 -8.717 1.00 0.00 C ATOM 0 HA PRO A 68 -5.568 -8.677 -9.996 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.378 -6.601 -11.292 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.840 -8.126 -10.564 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -8.269 -5.811 -9.284 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.834 -7.260 -8.400 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -6.180 -4.850 -8.990 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.079 -5.958 -7.636 1.00 0.00 H new ATOM 1113 N SER A 69 -4.529 -6.438 -12.068 1.00 0.00 N ATOM 1114 CA SER A 69 -3.875 -6.254 -13.358 1.00 0.00 C ATOM 1115 C SER A 69 -2.379 -6.535 -13.254 1.00 0.00 C ATOM 1116 O SER A 69 -1.719 -6.824 -14.253 1.00 0.00 O ATOM 1117 CB SER A 69 -4.104 -4.831 -13.871 1.00 0.00 C ATOM 1118 OG SER A 69 -5.466 -4.623 -14.206 1.00 0.00 O ATOM 0 H SER A 69 -4.530 -5.609 -11.474 1.00 0.00 H new ATOM 0 HA SER A 69 -4.311 -6.961 -14.063 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.800 -4.113 -13.109 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.479 -4.651 -14.746 1.00 0.00 H new ATOM 0 HG SER A 69 -5.587 -3.706 -14.530 1.00 0.00 H new ATOM 1124 N PHE A 70 -1.850 -6.447 -12.038 1.00 0.00 N ATOM 1125 CA PHE A 70 -0.432 -6.690 -11.802 1.00 0.00 C ATOM 1126 C PHE A 70 -0.160 -8.179 -11.609 1.00 0.00 C ATOM 1127 O PHE A 70 -1.039 -8.930 -11.188 1.00 0.00 O ATOM 1128 CB PHE A 70 0.043 -5.909 -10.575 1.00 0.00 C ATOM 1129 CG PHE A 70 0.558 -4.536 -10.901 1.00 0.00 C ATOM 1130 CD1 PHE A 70 1.761 -4.373 -11.569 1.00 0.00 C ATOM 1131 CD2 PHE A 70 -0.161 -3.409 -10.539 1.00 0.00 C ATOM 1132 CE1 PHE A 70 2.237 -3.111 -11.869 1.00 0.00 C ATOM 1133 CE2 PHE A 70 0.310 -2.144 -10.837 1.00 0.00 C ATOM 1134 CZ PHE A 70 1.511 -1.995 -11.503 1.00 0.00 C ATOM 0 H PHE A 70 -2.382 -6.209 -11.201 1.00 0.00 H new ATOM 0 HA PHE A 70 0.121 -6.349 -12.677 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.782 -5.821 -9.869 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.830 -6.475 -10.076 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.333 -5.242 -11.858 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.100 -3.520 -10.018 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.176 -2.998 -12.390 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.260 -1.273 -10.549 1.00 0.00 H new ATOM 0 HZ PHE A 70 1.881 -1.008 -11.737 1.00 0.00 H new ATOM 1144 N GLN A 71 1.063 -8.596 -11.920 1.00 0.00 N ATOM 1145 CA GLN A 71 1.450 -9.995 -11.781 1.00 0.00 C ATOM 1146 C GLN A 71 2.558 -10.153 -10.745 1.00 0.00 C ATOM 1147 O GLN A 71 3.705 -9.777 -10.986 1.00 0.00 O ATOM 1148 CB GLN A 71 1.912 -10.554 -13.128 1.00 0.00 C ATOM 1149 CG GLN A 71 2.933 -11.674 -13.004 1.00 0.00 C ATOM 1150 CD GLN A 71 3.074 -12.479 -14.281 1.00 0.00 C ATOM 1151 OE1 GLN A 71 2.677 -13.643 -14.342 1.00 0.00 O ATOM 1152 NE2 GLN A 71 3.641 -11.861 -15.311 1.00 0.00 N ATOM 0 H GLN A 71 1.802 -7.986 -12.269 1.00 0.00 H new ATOM 0 HA GLN A 71 0.578 -10.555 -11.442 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.045 -10.923 -13.676 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.342 -9.746 -13.719 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.901 -11.250 -12.737 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.641 -12.338 -12.191 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.955 -10.895 -15.216 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.762 -12.352 -16.197 1.00 0.00 H new ATOM 1161 N ILE A 72 2.206 -10.711 -9.591 1.00 0.00 N ATOM 1162 CA ILE A 72 3.171 -10.919 -8.519 1.00 0.00 C ATOM 1163 C ILE A 72 4.014 -12.164 -8.771 1.00 0.00 C ATOM 1164 O ILE A 72 3.514 -13.287 -8.711 1.00 0.00 O ATOM 1165 CB ILE A 72 2.474 -11.053 -7.152 1.00 0.00 C ATOM 1166 CG1 ILE A 72 1.273 -10.108 -7.073 1.00 0.00 C ATOM 1167 CG2 ILE A 72 3.455 -10.767 -6.026 1.00 0.00 C ATOM 1168 CD1 ILE A 72 1.617 -8.667 -7.374 1.00 0.00 C ATOM 0 H ILE A 72 1.260 -11.027 -9.375 1.00 0.00 H new ATOM 0 HA ILE A 72 3.818 -10.042 -8.504 1.00 0.00 H new ATOM 0 HB ILE A 72 2.115 -12.076 -7.043 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.509 -10.445 -7.774 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.839 -10.168 -6.075 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.947 -10.866 -5.067 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.281 -11.477 -6.074 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.842 -9.753 -6.129 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.718 -8.055 -7.299 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.358 -8.312 -6.657 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.024 -8.593 -8.383 1.00 0.00 H new ATOM 1180 N ALA A 73 5.296 -11.957 -9.053 1.00 0.00 N ATOM 1181 CA ALA A 73 6.209 -13.064 -9.312 1.00 0.00 C ATOM 1182 C ALA A 73 7.595 -12.775 -8.745 1.00 0.00 C ATOM 1183 O ALA A 73 8.132 -11.680 -8.918 1.00 0.00 O ATOM 1184 CB ALA A 73 6.295 -13.340 -10.805 1.00 0.00 C ATOM 0 H ALA A 73 5.726 -11.034 -9.108 1.00 0.00 H new ATOM 0 HA ALA A 73 5.817 -13.950 -8.813 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.980 -14.169 -10.983 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.307 -13.598 -11.185 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.660 -12.451 -11.319 1.00 0.00 H new ATOM 1190 N LEU A 74 8.169 -13.762 -8.066 1.00 0.00 N ATOM 1191 CA LEU A 74 9.494 -13.613 -7.473 1.00 0.00 C ATOM 1192 C LEU A 74 10.515 -13.184 -8.521 1.00 0.00 C ATOM 1193 O LEU A 74 10.543 -13.717 -9.631 1.00 0.00 O ATOM 1194 CB LEU A 74 9.933 -14.927 -6.823 1.00 0.00 C ATOM 1195 CG LEU A 74 9.452 -15.161 -5.391 1.00 0.00 C ATOM 1196 CD1 LEU A 74 10.008 -14.094 -4.460 1.00 0.00 C ATOM 1197 CD2 LEU A 74 7.932 -15.181 -5.335 1.00 0.00 C ATOM 0 H LEU A 74 7.738 -14.674 -7.912 1.00 0.00 H new ATOM 0 HA LEU A 74 9.439 -12.837 -6.709 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.580 -15.751 -7.443 1.00 0.00 H new ATOM 0 HB3 LEU A 74 11.022 -14.966 -6.830 1.00 0.00 H new ATOM 0 HG LEU A 74 9.820 -16.132 -5.059 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.655 -14.277 -3.445 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.097 -14.128 -4.477 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.671 -13.111 -4.790 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.608 -15.349 -4.308 1.00 0.00 H new ATOM 0 HD22 LEU A 74 7.542 -14.226 -5.687 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.555 -15.983 -5.970 1.00 0.00 H new ATOM 1209 N LEU A 75 11.355 -12.220 -8.161 1.00 0.00 N ATOM 1210 CA LEU A 75 12.381 -11.720 -9.070 1.00 0.00 C ATOM 1211 C LEU A 75 13.133 -12.872 -9.729 1.00 0.00 C ATOM 1212 O LEU A 75 13.106 -14.004 -9.244 1.00 0.00 O ATOM 1213 CB LEU A 75 13.363 -10.820 -8.317 1.00 0.00 C ATOM 1214 CG LEU A 75 12.744 -9.674 -7.516 1.00 0.00 C ATOM 1215 CD1 LEU A 75 13.821 -8.897 -6.776 1.00 0.00 C ATOM 1216 CD2 LEU A 75 11.951 -8.751 -8.431 1.00 0.00 C ATOM 0 H LEU A 75 11.346 -11.769 -7.246 1.00 0.00 H new ATOM 0 HA LEU A 75 11.889 -11.138 -9.849 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.944 -11.441 -7.635 1.00 0.00 H new ATOM 0 HB3 LEU A 75 14.063 -10.397 -9.038 1.00 0.00 H new ATOM 0 HG LEU A 75 12.061 -10.098 -6.780 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.361 -8.086 -6.212 1.00 0.00 H new ATOM 0 HD12 LEU A 75 14.345 -9.564 -6.091 1.00 0.00 H new ATOM 0 HD13 LEU A 75 14.530 -8.484 -7.494 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.518 -7.941 -7.844 1.00 0.00 H new ATOM 0 HD22 LEU A 75 12.613 -8.335 -9.190 1.00 0.00 H new ATOM 0 HD23 LEU A 75 11.154 -9.315 -8.915 1.00 0.00 H new ATOM 1228 N THR A 76 13.805 -12.577 -10.837 1.00 0.00 N ATOM 1229 CA THR A 76 14.565 -13.587 -11.563 1.00 0.00 C ATOM 1230 C THR A 76 15.825 -12.990 -12.177 1.00 0.00 C ATOM 1231 O THR A 76 16.053 -11.782 -12.101 1.00 0.00 O ATOM 1232 CB THR A 76 13.720 -14.233 -12.677 1.00 0.00 C ATOM 1233 OG1 THR A 76 13.021 -13.221 -13.411 1.00 0.00 O ATOM 1234 CG2 THR A 76 12.723 -15.223 -12.095 1.00 0.00 C ATOM 0 H THR A 76 13.838 -11.646 -11.252 1.00 0.00 H new ATOM 0 HA THR A 76 14.845 -14.353 -10.840 1.00 0.00 H new ATOM 0 HB THR A 76 14.392 -14.769 -13.347 1.00 0.00 H new ATOM 0 HG1 THR A 76 12.487 -13.640 -14.118 1.00 0.00 H new ATOM 0 HG21 THR A 76 12.138 -15.666 -12.901 1.00 0.00 H new ATOM 0 HG22 THR A 76 13.259 -16.008 -11.561 1.00 0.00 H new ATOM 0 HG23 THR A 76 12.057 -14.705 -11.405 1.00 0.00 H new ATOM 1242 N SER A 77 16.642 -13.843 -12.788 1.00 0.00 N ATOM 1243 CA SER A 77 17.882 -13.400 -13.414 1.00 0.00 C ATOM 1244 C SER A 77 17.648 -12.152 -14.259 1.00 0.00 C ATOM 1245 O SER A 77 18.397 -11.180 -14.171 1.00 0.00 O ATOM 1246 CB SER A 77 18.467 -14.515 -14.281 1.00 0.00 C ATOM 1247 OG SER A 77 19.815 -14.241 -14.624 1.00 0.00 O ATOM 0 H SER A 77 16.467 -14.845 -12.863 1.00 0.00 H new ATOM 0 HA SER A 77 18.592 -13.154 -12.624 1.00 0.00 H new ATOM 0 HB2 SER A 77 18.410 -15.463 -13.747 1.00 0.00 H new ATOM 0 HB3 SER A 77 17.873 -14.624 -15.188 1.00 0.00 H new ATOM 0 HG SER A 77 20.166 -14.970 -15.177 1.00 0.00 H new ATOM 1253 N GLU A 78 16.602 -12.188 -15.080 1.00 0.00 N ATOM 1254 CA GLU A 78 16.269 -11.061 -15.943 1.00 0.00 C ATOM 1255 C GLU A 78 16.396 -9.741 -15.187 1.00 0.00 C ATOM 1256 O GLU A 78 17.013 -8.793 -15.672 1.00 0.00 O ATOM 1257 CB GLU A 78 14.849 -11.212 -16.492 1.00 0.00 C ATOM 1258 CG GLU A 78 14.755 -12.151 -17.683 1.00 0.00 C ATOM 1259 CD GLU A 78 15.625 -11.710 -18.844 1.00 0.00 C ATOM 1260 OE1 GLU A 78 15.474 -10.556 -19.295 1.00 0.00 O ATOM 1261 OE2 GLU A 78 16.459 -12.520 -19.300 1.00 0.00 O ATOM 0 H GLU A 78 15.971 -12.985 -15.165 1.00 0.00 H new ATOM 0 HA GLU A 78 16.973 -11.053 -16.775 1.00 0.00 H new ATOM 0 HB2 GLU A 78 14.198 -11.579 -15.698 1.00 0.00 H new ATOM 0 HB3 GLU A 78 14.474 -10.231 -16.783 1.00 0.00 H new ATOM 0 HG2 GLU A 78 15.049 -13.154 -17.374 1.00 0.00 H new ATOM 0 HG3 GLU A 78 13.718 -12.210 -18.013 1.00 0.00 H new ATOM 1268 N ASP A 79 15.807 -9.689 -13.997 1.00 0.00 N ATOM 1269 CA ASP A 79 15.853 -8.487 -13.173 1.00 0.00 C ATOM 1270 C ASP A 79 17.290 -8.144 -12.792 1.00 0.00 C ATOM 1271 O ASP A 79 17.989 -8.951 -12.178 1.00 0.00 O ATOM 1272 CB ASP A 79 15.009 -8.674 -11.912 1.00 0.00 C ATOM 1273 CG ASP A 79 13.628 -9.222 -12.216 1.00 0.00 C ATOM 1274 OD1 ASP A 79 13.143 -9.013 -13.347 1.00 0.00 O ATOM 1275 OD2 ASP A 79 13.032 -9.859 -11.321 1.00 0.00 O ATOM 0 H ASP A 79 15.292 -10.465 -13.582 1.00 0.00 H new ATOM 0 HA ASP A 79 15.443 -7.662 -13.755 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.524 -9.352 -11.231 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.912 -7.718 -11.398 1.00 0.00 H new ATOM 1280 N HIS A 80 17.725 -6.944 -13.162 1.00 0.00 N ATOM 1281 CA HIS A 80 19.079 -6.495 -12.859 1.00 0.00 C ATOM 1282 C HIS A 80 19.155 -5.909 -11.452 1.00 0.00 C ATOM 1283 O HIS A 80 19.880 -4.943 -11.210 1.00 0.00 O ATOM 1284 CB HIS A 80 19.535 -5.454 -13.882 1.00 0.00 C ATOM 1285 CG HIS A 80 20.112 -6.053 -15.128 1.00 0.00 C ATOM 1286 ND1 HIS A 80 21.113 -5.448 -15.859 1.00 0.00 N ATOM 1287 CD2 HIS A 80 19.826 -7.209 -15.770 1.00 0.00 C ATOM 1288 CE1 HIS A 80 21.415 -6.206 -16.898 1.00 0.00 C ATOM 1289 NE2 HIS A 80 20.649 -7.281 -16.867 1.00 0.00 N ATOM 0 H HIS A 80 17.160 -6.265 -13.672 1.00 0.00 H new ATOM 0 HA HIS A 80 19.742 -7.359 -12.911 1.00 0.00 H new ATOM 0 HB2 HIS A 80 18.687 -4.824 -14.150 1.00 0.00 H new ATOM 0 HB3 HIS A 80 20.280 -4.806 -13.421 1.00 0.00 H new ATOM 0 HD2 HIS A 80 19.088 -7.940 -15.475 1.00 0.00 H new ATOM 0 HE1 HIS A 80 22.162 -5.984 -17.646 1.00 0.00 H new ATOM 0 HE2 HIS A 80 20.666 -8.041 -17.547 1.00 0.00 H new ATOM 1298 N ILE A 81 18.404 -6.499 -10.529 1.00 0.00 N ATOM 1299 CA ILE A 81 18.387 -6.036 -9.147 1.00 0.00 C ATOM 1300 C ILE A 81 19.033 -7.057 -8.217 1.00 0.00 C ATOM 1301 O ILE A 81 18.593 -8.203 -8.135 1.00 0.00 O ATOM 1302 CB ILE A 81 16.952 -5.755 -8.665 1.00 0.00 C ATOM 1303 CG1 ILE A 81 16.246 -4.797 -9.627 1.00 0.00 C ATOM 1304 CG2 ILE A 81 16.969 -5.181 -7.256 1.00 0.00 C ATOM 1305 CD1 ILE A 81 14.762 -4.661 -9.363 1.00 0.00 C ATOM 0 H ILE A 81 17.799 -7.299 -10.713 1.00 0.00 H new ATOM 0 HA ILE A 81 18.959 -5.109 -9.118 1.00 0.00 H new ATOM 0 HB ILE A 81 16.400 -6.695 -8.647 1.00 0.00 H new ATOM 0 HG12 ILE A 81 16.711 -3.814 -9.555 1.00 0.00 H new ATOM 0 HG13 ILE A 81 16.395 -5.146 -10.649 1.00 0.00 H new ATOM 0 HG21 ILE A 81 15.947 -4.988 -6.930 1.00 0.00 H new ATOM 0 HG22 ILE A 81 17.438 -5.894 -6.578 1.00 0.00 H new ATOM 0 HG23 ILE A 81 17.534 -4.249 -7.250 1.00 0.00 H new ATOM 0 HD11 ILE A 81 14.327 -3.967 -10.082 1.00 0.00 H new ATOM 0 HD12 ILE A 81 14.284 -5.635 -9.464 1.00 0.00 H new ATOM 0 HD13 ILE A 81 14.605 -4.283 -8.353 1.00 0.00 H new ATOM 1317 N ASN A 82 20.080 -6.632 -7.517 1.00 0.00 N ATOM 1318 CA ASN A 82 20.787 -7.510 -6.590 1.00 0.00 C ATOM 1319 C ASN A 82 20.210 -7.393 -5.183 1.00 0.00 C ATOM 1320 O ASN A 82 20.945 -7.419 -4.196 1.00 0.00 O ATOM 1321 CB ASN A 82 22.278 -7.171 -6.572 1.00 0.00 C ATOM 1322 CG ASN A 82 22.863 -7.059 -7.967 1.00 0.00 C ATOM 1323 OD1 ASN A 82 23.017 -5.961 -8.501 1.00 0.00 O ATOM 1324 ND2 ASN A 82 23.192 -8.199 -8.563 1.00 0.00 N ATOM 0 H ASN A 82 20.458 -5.686 -7.574 1.00 0.00 H new ATOM 0 HA ASN A 82 20.659 -8.537 -6.931 1.00 0.00 H new ATOM 0 HB2 ASN A 82 22.427 -6.230 -6.042 1.00 0.00 H new ATOM 0 HB3 ASN A 82 22.816 -7.939 -6.016 1.00 0.00 H new ATOM 0 HD21 ASN A 82 23.590 -8.187 -9.502 1.00 0.00 H new ATOM 0 HD22 ASN A 82 23.047 -9.087 -8.082 1.00 0.00 H new ATOM 1331 N ARG A 83 18.890 -7.265 -5.099 1.00 0.00 N ATOM 1332 CA ARG A 83 18.214 -7.143 -3.813 1.00 0.00 C ATOM 1333 C ARG A 83 17.668 -8.493 -3.356 1.00 0.00 C ATOM 1334 O ARG A 83 17.479 -9.404 -4.162 1.00 0.00 O ATOM 1335 CB ARG A 83 17.075 -6.125 -3.905 1.00 0.00 C ATOM 1336 CG ARG A 83 17.552 -4.694 -4.093 1.00 0.00 C ATOM 1337 CD ARG A 83 18.128 -4.126 -2.806 1.00 0.00 C ATOM 1338 NE ARG A 83 19.552 -4.421 -2.666 1.00 0.00 N ATOM 1339 CZ ARG A 83 20.304 -3.960 -1.673 1.00 0.00 C ATOM 1340 NH1 ARG A 83 19.771 -3.186 -0.737 1.00 0.00 N ATOM 1341 NH2 ARG A 83 21.592 -4.272 -1.614 1.00 0.00 N ATOM 0 H ARG A 83 18.267 -7.243 -5.906 1.00 0.00 H new ATOM 0 HA ARG A 83 18.942 -6.797 -3.080 1.00 0.00 H new ATOM 0 HB2 ARG A 83 16.424 -6.395 -4.737 1.00 0.00 H new ATOM 0 HB3 ARG A 83 16.473 -6.182 -2.998 1.00 0.00 H new ATOM 0 HG2 ARG A 83 18.308 -4.661 -4.877 1.00 0.00 H new ATOM 0 HG3 ARG A 83 16.721 -4.073 -4.426 1.00 0.00 H new ATOM 0 HD2 ARG A 83 17.978 -3.047 -2.787 1.00 0.00 H new ATOM 0 HD3 ARG A 83 17.587 -4.538 -1.954 1.00 0.00 H new ATOM 0 HE ARG A 83 19.993 -5.014 -3.369 1.00 0.00 H new ATOM 0 HH11 ARG A 83 18.781 -2.943 -0.779 1.00 0.00 H new ATOM 0 HH12 ARG A 83 20.351 -2.833 0.024 1.00 0.00 H new ATOM 0 HH21 ARG A 83 22.006 -4.867 -2.332 1.00 0.00 H new ATOM 0 HH22 ARG A 83 22.168 -3.917 -0.851 1.00 0.00 H new ATOM 1355 N LYS A 84 17.417 -8.614 -2.057 1.00 0.00 N ATOM 1356 CA LYS A 84 16.892 -9.851 -1.491 1.00 0.00 C ATOM 1357 C LYS A 84 15.570 -9.603 -0.771 1.00 0.00 C ATOM 1358 O LYS A 84 15.305 -8.495 -0.305 1.00 0.00 O ATOM 1359 CB LYS A 84 17.906 -10.463 -0.521 1.00 0.00 C ATOM 1360 CG LYS A 84 18.177 -9.600 0.699 1.00 0.00 C ATOM 1361 CD LYS A 84 19.331 -10.146 1.523 1.00 0.00 C ATOM 1362 CE LYS A 84 18.922 -11.387 2.302 1.00 0.00 C ATOM 1363 NZ LYS A 84 19.924 -11.744 3.344 1.00 0.00 N ATOM 0 H LYS A 84 17.569 -7.870 -1.376 1.00 0.00 H new ATOM 0 HA LYS A 84 16.714 -10.548 -2.310 1.00 0.00 H new ATOM 0 HB2 LYS A 84 17.541 -11.436 -0.193 1.00 0.00 H new ATOM 0 HB3 LYS A 84 18.844 -10.635 -1.049 1.00 0.00 H new ATOM 0 HG2 LYS A 84 18.404 -8.582 0.382 1.00 0.00 H new ATOM 0 HG3 LYS A 84 17.280 -9.549 1.316 1.00 0.00 H new ATOM 0 HD2 LYS A 84 20.167 -10.387 0.866 1.00 0.00 H new ATOM 0 HD3 LYS A 84 19.680 -9.379 2.215 1.00 0.00 H new ATOM 0 HE2 LYS A 84 17.954 -11.217 2.773 1.00 0.00 H new ATOM 0 HE3 LYS A 84 18.800 -12.224 1.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 19.608 -12.595 3.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 20.842 -11.931 2.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 20.022 -10.956 4.016 1.00 0.00 H new ATOM 1377 N TYR A 85 14.745 -10.640 -0.684 1.00 0.00 N ATOM 1378 CA TYR A 85 13.451 -10.534 -0.022 1.00 0.00 C ATOM 1379 C TYR A 85 12.590 -9.460 -0.680 1.00 0.00 C ATOM 1380 O TYR A 85 11.931 -8.674 0.001 1.00 0.00 O ATOM 1381 CB TYR A 85 13.638 -10.216 1.462 1.00 0.00 C ATOM 1382 CG TYR A 85 14.293 -11.333 2.243 1.00 0.00 C ATOM 1383 CD1 TYR A 85 15.602 -11.717 1.979 1.00 0.00 C ATOM 1384 CD2 TYR A 85 13.602 -12.006 3.243 1.00 0.00 C ATOM 1385 CE1 TYR A 85 16.204 -12.737 2.689 1.00 0.00 C ATOM 1386 CE2 TYR A 85 14.196 -13.027 3.959 1.00 0.00 C ATOM 1387 CZ TYR A 85 15.497 -13.389 3.678 1.00 0.00 C ATOM 1388 OH TYR A 85 16.093 -14.406 4.389 1.00 0.00 O ATOM 0 H TYR A 85 14.950 -11.564 -1.064 1.00 0.00 H new ATOM 0 HA TYR A 85 12.942 -11.493 -0.119 1.00 0.00 H new ATOM 0 HB2 TYR A 85 14.242 -9.314 1.558 1.00 0.00 H new ATOM 0 HB3 TYR A 85 12.666 -9.997 1.903 1.00 0.00 H new ATOM 0 HD1 TYR A 85 16.158 -11.209 1.205 1.00 0.00 H new ATOM 0 HD2 TYR A 85 12.583 -11.726 3.464 1.00 0.00 H new ATOM 0 HE1 TYR A 85 17.223 -13.023 2.471 1.00 0.00 H new ATOM 0 HE2 TYR A 85 13.645 -13.539 4.734 1.00 0.00 H new ATOM 0 HH TYR A 85 15.460 -14.759 5.049 1.00 0.00 H new ATOM 1398 N ALA A 86 12.600 -9.433 -2.008 1.00 0.00 N ATOM 1399 CA ALA A 86 11.819 -8.458 -2.759 1.00 0.00 C ATOM 1400 C ALA A 86 11.133 -9.108 -3.955 1.00 0.00 C ATOM 1401 O ALA A 86 11.591 -10.130 -4.467 1.00 0.00 O ATOM 1402 CB ALA A 86 12.706 -7.310 -3.217 1.00 0.00 C ATOM 0 H ALA A 86 13.141 -10.076 -2.587 1.00 0.00 H new ATOM 0 HA ALA A 86 11.046 -8.064 -2.099 1.00 0.00 H new ATOM 0 HB1 ALA A 86 12.109 -6.590 -3.777 1.00 0.00 H new ATOM 0 HB2 ALA A 86 13.145 -6.820 -2.348 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.501 -7.696 -3.855 1.00 0.00 H new ATOM 1408 N PHE A 87 10.031 -8.510 -4.397 1.00 0.00 N ATOM 1409 CA PHE A 87 9.280 -9.033 -5.533 1.00 0.00 C ATOM 1410 C PHE A 87 8.969 -7.925 -6.535 1.00 0.00 C ATOM 1411 O PHE A 87 9.218 -6.748 -6.274 1.00 0.00 O ATOM 1412 CB PHE A 87 7.981 -9.685 -5.056 1.00 0.00 C ATOM 1413 CG PHE A 87 7.311 -8.938 -3.938 1.00 0.00 C ATOM 1414 CD1 PHE A 87 7.797 -9.019 -2.643 1.00 0.00 C ATOM 1415 CD2 PHE A 87 6.193 -8.156 -4.182 1.00 0.00 C ATOM 1416 CE1 PHE A 87 7.183 -8.333 -1.612 1.00 0.00 C ATOM 1417 CE2 PHE A 87 5.575 -7.468 -3.155 1.00 0.00 C ATOM 1418 CZ PHE A 87 6.070 -7.558 -1.869 1.00 0.00 C ATOM 0 H PHE A 87 9.638 -7.663 -3.986 1.00 0.00 H new ATOM 0 HA PHE A 87 9.894 -9.785 -6.028 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.291 -9.760 -5.897 1.00 0.00 H new ATOM 0 HB3 PHE A 87 8.194 -10.702 -4.727 1.00 0.00 H new ATOM 0 HD1 PHE A 87 8.666 -9.626 -2.437 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.801 -8.084 -5.186 1.00 0.00 H new ATOM 0 HE1 PHE A 87 7.573 -8.403 -0.607 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.706 -6.860 -3.358 1.00 0.00 H new ATOM 0 HZ PHE A 87 5.587 -7.023 -1.065 1.00 0.00 H new ATOM 1428 N LYS A 88 8.422 -8.310 -7.682 1.00 0.00 N ATOM 1429 CA LYS A 88 8.075 -7.352 -8.725 1.00 0.00 C ATOM 1430 C LYS A 88 6.682 -7.633 -9.280 1.00 0.00 C ATOM 1431 O LYS A 88 6.217 -8.772 -9.269 1.00 0.00 O ATOM 1432 CB LYS A 88 9.105 -7.401 -9.855 1.00 0.00 C ATOM 1433 CG LYS A 88 9.076 -8.695 -10.649 1.00 0.00 C ATOM 1434 CD LYS A 88 9.853 -8.570 -11.949 1.00 0.00 C ATOM 1435 CE LYS A 88 9.386 -9.587 -12.978 1.00 0.00 C ATOM 1436 NZ LYS A 88 10.434 -9.866 -13.999 1.00 0.00 N ATOM 0 H LYS A 88 8.209 -9.280 -7.914 1.00 0.00 H new ATOM 0 HA LYS A 88 8.077 -6.356 -8.283 1.00 0.00 H new ATOM 0 HB2 LYS A 88 8.929 -6.565 -10.532 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.101 -7.265 -9.433 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.498 -9.501 -10.048 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.043 -8.966 -10.866 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.733 -7.564 -12.350 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.916 -8.711 -11.754 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.114 -10.515 -12.474 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.487 -9.217 -13.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.489 -10.890 -14.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.193 -9.380 -14.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 11.354 -9.523 -13.655 1.00 0.00 H new ATOM 1450 N ALA A 89 6.022 -6.587 -9.766 1.00 0.00 N ATOM 1451 CA ALA A 89 4.684 -6.722 -10.329 1.00 0.00 C ATOM 1452 C ALA A 89 4.648 -6.253 -11.780 1.00 0.00 C ATOM 1453 O ALA A 89 4.950 -5.098 -12.076 1.00 0.00 O ATOM 1454 CB ALA A 89 3.679 -5.941 -9.495 1.00 0.00 C ATOM 0 H ALA A 89 6.392 -5.637 -9.781 1.00 0.00 H new ATOM 0 HA ALA A 89 4.414 -7.778 -10.309 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.684 -6.051 -9.927 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.676 -6.325 -8.475 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.956 -4.887 -9.485 1.00 0.00 H new ATOM 1460 N ALA A 90 4.279 -7.158 -12.680 1.00 0.00 N ATOM 1461 CA ALA A 90 4.203 -6.836 -14.100 1.00 0.00 C ATOM 1462 C ALA A 90 2.799 -6.384 -14.486 1.00 0.00 C ATOM 1463 O ALA A 90 1.806 -6.967 -14.050 1.00 0.00 O ATOM 1464 CB ALA A 90 4.621 -8.036 -14.936 1.00 0.00 C ATOM 0 H ALA A 90 4.028 -8.120 -12.451 1.00 0.00 H new ATOM 0 HA ALA A 90 4.889 -6.012 -14.298 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.559 -7.781 -15.994 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.646 -8.313 -14.688 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.958 -8.875 -14.725 1.00 0.00 H new ATOM 1470 N HIS A 91 2.723 -5.340 -15.306 1.00 0.00 N ATOM 1471 CA HIS A 91 1.439 -4.809 -15.750 1.00 0.00 C ATOM 1472 C HIS A 91 1.406 -4.667 -17.269 1.00 0.00 C ATOM 1473 O HIS A 91 2.383 -4.262 -17.900 1.00 0.00 O ATOM 1474 CB HIS A 91 1.168 -3.455 -15.094 1.00 0.00 C ATOM 1475 CG HIS A 91 -0.278 -3.065 -15.100 1.00 0.00 C ATOM 1476 ND1 HIS A 91 -0.905 -2.517 -16.199 1.00 0.00 N ATOM 1477 CD2 HIS A 91 -1.222 -3.149 -14.133 1.00 0.00 C ATOM 1478 CE1 HIS A 91 -2.171 -2.279 -15.907 1.00 0.00 C ATOM 1479 NE2 HIS A 91 -2.389 -2.653 -14.659 1.00 0.00 N ATOM 0 H HIS A 91 3.535 -4.846 -15.676 1.00 0.00 H new ATOM 0 HA HIS A 91 0.661 -5.511 -15.451 1.00 0.00 H new ATOM 0 HB2 HIS A 91 1.524 -3.482 -14.064 1.00 0.00 H new ATOM 0 HB3 HIS A 91 1.745 -2.688 -15.611 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -1.083 -3.534 -13.134 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.904 -1.851 -16.575 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -3.279 -2.584 -14.166 1.00 0.00 H new ATOM 1488 N PRO A 92 0.258 -5.008 -17.872 1.00 0.00 N ATOM 1489 CA PRO A 92 0.071 -4.927 -19.323 1.00 0.00 C ATOM 1490 C PRO A 92 -0.072 -3.489 -19.810 1.00 0.00 C ATOM 1491 O PRO A 92 0.588 -3.079 -20.764 1.00 0.00 O ATOM 1492 CB PRO A 92 -1.229 -5.702 -19.557 1.00 0.00 C ATOM 1493 CG PRO A 92 -1.984 -5.569 -18.280 1.00 0.00 C ATOM 1494 CD PRO A 92 -0.947 -5.499 -17.182 1.00 0.00 C ATOM 0 HA PRO A 92 0.926 -5.328 -19.867 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -1.791 -5.288 -20.394 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.030 -6.748 -19.792 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -2.605 -4.673 -18.287 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -2.651 -6.418 -18.132 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.254 -4.824 -16.383 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -0.779 -6.475 -16.727 1.00 0.00 H new ATOM 1502 N ASN A 93 -0.936 -2.728 -19.147 1.00 0.00 N ATOM 1503 CA ASN A 93 -1.165 -1.334 -19.513 1.00 0.00 C ATOM 1504 C ASN A 93 -0.261 -0.405 -18.708 1.00 0.00 C ATOM 1505 O ASN A 93 -0.509 0.797 -18.623 1.00 0.00 O ATOM 1506 CB ASN A 93 -2.631 -0.960 -19.288 1.00 0.00 C ATOM 1507 CG ASN A 93 -3.078 0.184 -20.177 1.00 0.00 C ATOM 1508 OD1 ASN A 93 -2.488 0.437 -21.227 1.00 0.00 O ATOM 1509 ND2 ASN A 93 -4.127 0.883 -19.758 1.00 0.00 N ATOM 0 H ASN A 93 -1.489 -3.052 -18.354 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.926 -1.218 -20.570 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -3.259 -1.831 -19.478 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.777 -0.684 -18.244 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.474 1.665 -20.314 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.586 0.638 -18.881 1.00 0.00 H new ATOM 1516 N MET A 94 0.787 -0.972 -18.119 1.00 0.00 N ATOM 1517 CA MET A 94 1.728 -0.194 -17.322 1.00 0.00 C ATOM 1518 C MET A 94 3.096 -0.868 -17.285 1.00 0.00 C ATOM 1519 O MET A 94 3.302 -1.909 -17.908 1.00 0.00 O ATOM 1520 CB MET A 94 1.197 -0.014 -15.898 1.00 0.00 C ATOM 1521 CG MET A 94 0.327 1.220 -15.725 1.00 0.00 C ATOM 1522 SD MET A 94 -0.001 1.602 -13.994 1.00 0.00 S ATOM 1523 CE MET A 94 -0.688 0.048 -13.428 1.00 0.00 C ATOM 0 H MET A 94 1.006 -1.967 -18.179 1.00 0.00 H new ATOM 0 HA MET A 94 1.837 0.785 -17.788 1.00 0.00 H new ATOM 0 HB2 MET A 94 0.621 -0.896 -15.620 1.00 0.00 H new ATOM 0 HB3 MET A 94 2.040 0.047 -15.210 1.00 0.00 H new ATOM 0 HG2 MET A 94 0.816 2.073 -16.195 1.00 0.00 H new ATOM 0 HG3 MET A 94 -0.619 1.069 -16.245 1.00 0.00 H new ATOM 0 HE1 MET A 94 -1.007 0.148 -12.391 1.00 0.00 H new ATOM 0 HE2 MET A 94 -1.544 -0.218 -14.047 1.00 0.00 H new ATOM 0 HE3 MET A 94 0.069 -0.733 -13.501 1.00 0.00 H new ATOM 1533 N ARG A 95 4.027 -0.266 -16.553 1.00 0.00 N ATOM 1534 CA ARG A 95 5.376 -0.807 -16.437 1.00 0.00 C ATOM 1535 C ARG A 95 5.460 -1.820 -15.298 1.00 0.00 C ATOM 1536 O ARG A 95 4.476 -2.070 -14.601 1.00 0.00 O ATOM 1537 CB ARG A 95 6.383 0.321 -16.205 1.00 0.00 C ATOM 1538 CG ARG A 95 6.062 1.185 -14.997 1.00 0.00 C ATOM 1539 CD ARG A 95 7.155 2.211 -14.740 1.00 0.00 C ATOM 1540 NE ARG A 95 7.054 3.356 -15.641 1.00 0.00 N ATOM 1541 CZ ARG A 95 7.577 3.379 -16.862 1.00 0.00 C ATOM 1542 NH1 ARG A 95 8.235 2.325 -17.325 1.00 0.00 N ATOM 1543 NH2 ARG A 95 7.443 4.458 -17.622 1.00 0.00 N ATOM 0 H ARG A 95 3.872 0.597 -16.031 1.00 0.00 H new ATOM 0 HA ARG A 95 5.618 -1.315 -17.371 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.376 -0.110 -16.079 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.420 0.952 -17.093 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.112 1.696 -15.155 1.00 0.00 H new ATOM 0 HG3 ARG A 95 5.941 0.552 -14.118 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.093 2.556 -13.708 1.00 0.00 H new ATOM 0 HD3 ARG A 95 8.130 1.740 -14.861 1.00 0.00 H new ATOM 0 HE ARG A 95 6.555 4.183 -15.315 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.341 1.494 -16.743 1.00 0.00 H new ATOM 0 HH12 ARG A 95 8.636 2.345 -18.263 1.00 0.00 H new ATOM 0 HH21 ARG A 95 6.938 5.271 -17.269 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.845 4.475 -18.559 1.00 0.00 H new ATOM 1557 N THR A 96 6.641 -2.401 -15.116 1.00 0.00 N ATOM 1558 CA THR A 96 6.854 -3.387 -14.064 1.00 0.00 C ATOM 1559 C THR A 96 7.277 -2.719 -12.761 1.00 0.00 C ATOM 1560 O THR A 96 8.300 -2.036 -12.706 1.00 0.00 O ATOM 1561 CB THR A 96 7.923 -4.420 -14.469 1.00 0.00 C ATOM 1562 OG1 THR A 96 7.585 -5.005 -15.731 1.00 0.00 O ATOM 1563 CG2 THR A 96 8.048 -5.510 -13.416 1.00 0.00 C ATOM 0 H THR A 96 7.465 -2.206 -15.684 1.00 0.00 H new ATOM 0 HA THR A 96 5.903 -3.899 -13.915 1.00 0.00 H new ATOM 0 HB THR A 96 8.881 -3.906 -14.552 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.270 -5.659 -15.982 1.00 0.00 H new ATOM 0 HG21 THR A 96 8.808 -6.228 -13.724 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.334 -5.064 -12.463 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.091 -6.020 -13.305 1.00 0.00 H new ATOM 1571 N TYR A 97 6.485 -2.921 -11.713 1.00 0.00 N ATOM 1572 CA TYR A 97 6.777 -2.336 -10.410 1.00 0.00 C ATOM 1573 C TYR A 97 7.665 -3.262 -9.584 1.00 0.00 C ATOM 1574 O TYR A 97 7.819 -4.441 -9.903 1.00 0.00 O ATOM 1575 CB TYR A 97 5.479 -2.047 -9.655 1.00 0.00 C ATOM 1576 CG TYR A 97 4.771 -0.797 -10.123 1.00 0.00 C ATOM 1577 CD1 TYR A 97 4.633 -0.518 -11.477 1.00 0.00 C ATOM 1578 CD2 TYR A 97 4.238 0.107 -9.211 1.00 0.00 C ATOM 1579 CE1 TYR A 97 3.987 0.624 -11.910 1.00 0.00 C ATOM 1580 CE2 TYR A 97 3.589 1.251 -9.635 1.00 0.00 C ATOM 1581 CZ TYR A 97 3.467 1.505 -10.985 1.00 0.00 C ATOM 1582 OH TYR A 97 2.822 2.643 -11.412 1.00 0.00 O ATOM 0 H TYR A 97 5.636 -3.486 -11.741 1.00 0.00 H new ATOM 0 HA TYR A 97 7.311 -1.400 -10.571 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.807 -2.898 -9.766 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.700 -1.952 -8.592 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.038 -1.206 -12.204 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.333 -0.088 -8.153 1.00 0.00 H new ATOM 0 HE1 TYR A 97 3.890 0.826 -12.967 1.00 0.00 H new ATOM 0 HE2 TYR A 97 3.180 1.942 -8.913 1.00 0.00 H new ATOM 0 HH TYR A 97 2.514 3.155 -10.635 1.00 0.00 H new ATOM 1592 N TYR A 98 8.246 -2.719 -8.520 1.00 0.00 N ATOM 1593 CA TYR A 98 9.120 -3.494 -7.648 1.00 0.00 C ATOM 1594 C TYR A 98 8.947 -3.075 -6.191 1.00 0.00 C ATOM 1595 O TYR A 98 8.960 -1.887 -5.869 1.00 0.00 O ATOM 1596 CB TYR A 98 10.580 -3.321 -8.070 1.00 0.00 C ATOM 1597 CG TYR A 98 10.902 -3.945 -9.409 1.00 0.00 C ATOM 1598 CD1 TYR A 98 10.442 -3.376 -10.590 1.00 0.00 C ATOM 1599 CD2 TYR A 98 11.664 -5.103 -9.493 1.00 0.00 C ATOM 1600 CE1 TYR A 98 10.732 -3.942 -11.816 1.00 0.00 C ATOM 1601 CE2 TYR A 98 11.961 -5.676 -10.715 1.00 0.00 C ATOM 1602 CZ TYR A 98 11.492 -5.092 -11.874 1.00 0.00 C ATOM 1603 OH TYR A 98 11.784 -5.660 -13.093 1.00 0.00 O ATOM 0 H TYR A 98 8.127 -1.745 -8.241 1.00 0.00 H new ATOM 0 HA TYR A 98 8.844 -4.544 -7.740 1.00 0.00 H new ATOM 0 HB2 TYR A 98 10.814 -2.257 -8.109 1.00 0.00 H new ATOM 0 HB3 TYR A 98 11.224 -3.762 -7.309 1.00 0.00 H new ATOM 0 HD1 TYR A 98 9.847 -2.475 -10.549 1.00 0.00 H new ATOM 0 HD2 TYR A 98 12.031 -5.564 -8.588 1.00 0.00 H new ATOM 0 HE1 TYR A 98 10.366 -3.487 -12.724 1.00 0.00 H new ATOM 0 HE2 TYR A 98 12.557 -6.576 -10.763 1.00 0.00 H new ATOM 0 HH TYR A 98 12.329 -6.463 -12.958 1.00 0.00 H new ATOM 1613 N PHE A 99 8.785 -4.061 -5.314 1.00 0.00 N ATOM 1614 CA PHE A 99 8.609 -3.796 -3.891 1.00 0.00 C ATOM 1615 C PHE A 99 9.484 -4.723 -3.053 1.00 0.00 C ATOM 1616 O PHE A 99 9.694 -5.884 -3.406 1.00 0.00 O ATOM 1617 CB PHE A 99 7.141 -3.969 -3.497 1.00 0.00 C ATOM 1618 CG PHE A 99 6.179 -3.422 -4.513 1.00 0.00 C ATOM 1619 CD1 PHE A 99 6.014 -2.055 -4.665 1.00 0.00 C ATOM 1620 CD2 PHE A 99 5.439 -4.276 -5.316 1.00 0.00 C ATOM 1621 CE1 PHE A 99 5.130 -1.549 -5.600 1.00 0.00 C ATOM 1622 CE2 PHE A 99 4.554 -3.776 -6.252 1.00 0.00 C ATOM 1623 CZ PHE A 99 4.399 -2.410 -6.393 1.00 0.00 C ATOM 0 H PHE A 99 8.772 -5.050 -5.564 1.00 0.00 H new ATOM 0 HA PHE A 99 8.912 -2.767 -3.698 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.936 -5.029 -3.348 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.969 -3.473 -2.542 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.582 -1.377 -4.046 1.00 0.00 H new ATOM 0 HD2 PHE A 99 5.556 -5.344 -5.209 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.012 -0.481 -5.710 1.00 0.00 H new ATOM 0 HE2 PHE A 99 3.984 -4.452 -6.873 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.707 -2.017 -7.123 1.00 0.00 H new ATOM 1633 N CYS A 100 9.994 -4.202 -1.942 1.00 0.00 N ATOM 1634 CA CYS A 100 10.848 -4.982 -1.054 1.00 0.00 C ATOM 1635 C CYS A 100 10.482 -4.736 0.406 1.00 0.00 C ATOM 1636 O CYS A 100 9.816 -3.753 0.734 1.00 0.00 O ATOM 1637 CB CYS A 100 12.318 -4.632 -1.290 1.00 0.00 C ATOM 1638 SG CYS A 100 12.796 -2.999 -0.679 1.00 0.00 S ATOM 0 H CYS A 100 9.831 -3.243 -1.635 1.00 0.00 H new ATOM 0 HA CYS A 100 10.693 -6.038 -1.275 1.00 0.00 H new ATOM 0 HB2 CYS A 100 12.941 -5.385 -0.808 1.00 0.00 H new ATOM 0 HB3 CYS A 100 12.525 -4.683 -2.359 1.00 0.00 H new ATOM 0 HG CYS A 100 12.805 -2.152 -1.665 1.00 0.00 H new ATOM 1644 N THR A 101 10.921 -5.636 1.281 1.00 0.00 N ATOM 1645 CA THR A 101 10.638 -5.518 2.706 1.00 0.00 C ATOM 1646 C THR A 101 11.906 -5.690 3.534 1.00 0.00 C ATOM 1647 O THR A 101 12.995 -5.869 2.990 1.00 0.00 O ATOM 1648 CB THR A 101 9.597 -6.560 3.159 1.00 0.00 C ATOM 1649 OG1 THR A 101 9.952 -7.855 2.662 1.00 0.00 O ATOM 1650 CG2 THR A 101 8.207 -6.185 2.667 1.00 0.00 C ATOM 0 H THR A 101 11.474 -6.455 1.027 1.00 0.00 H new ATOM 0 HA THR A 101 10.235 -4.518 2.867 1.00 0.00 H new ATOM 0 HB THR A 101 9.586 -6.581 4.249 1.00 0.00 H new ATOM 0 HG1 THR A 101 10.136 -8.455 3.415 1.00 0.00 H new ATOM 0 HG21 THR A 101 7.489 -6.935 2.999 1.00 0.00 H new ATOM 0 HG22 THR A 101 7.928 -5.212 3.071 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.207 -6.139 1.578 1.00 0.00 H new ATOM 1658 N ASP A 102 11.757 -5.634 4.853 1.00 0.00 N ATOM 1659 CA ASP A 102 12.891 -5.785 5.758 1.00 0.00 C ATOM 1660 C ASP A 102 13.283 -7.253 5.897 1.00 0.00 C ATOM 1661 O ASP A 102 14.465 -7.596 5.877 1.00 0.00 O ATOM 1662 CB ASP A 102 12.556 -5.201 7.131 1.00 0.00 C ATOM 1663 CG ASP A 102 12.798 -3.706 7.199 1.00 0.00 C ATOM 1664 OD1 ASP A 102 12.160 -2.966 6.422 1.00 0.00 O ATOM 1665 OD2 ASP A 102 13.627 -3.276 8.029 1.00 0.00 O ATOM 0 H ASP A 102 10.862 -5.485 5.319 1.00 0.00 H new ATOM 0 HA ASP A 102 13.736 -5.240 5.337 1.00 0.00 H new ATOM 0 HB2 ASP A 102 11.512 -5.408 7.366 1.00 0.00 H new ATOM 0 HB3 ASP A 102 13.158 -5.699 7.891 1.00 0.00 H new ATOM 1670 N THR A 103 12.282 -8.117 6.040 1.00 0.00 N ATOM 1671 CA THR A 103 12.522 -9.547 6.185 1.00 0.00 C ATOM 1672 C THR A 103 11.454 -10.360 5.463 1.00 0.00 C ATOM 1673 O THR A 103 10.540 -9.802 4.856 1.00 0.00 O ATOM 1674 CB THR A 103 12.553 -9.964 7.668 1.00 0.00 C ATOM 1675 OG1 THR A 103 12.679 -11.386 7.774 1.00 0.00 O ATOM 1676 CG2 THR A 103 11.293 -9.505 8.385 1.00 0.00 C ATOM 0 H THR A 103 11.298 -7.851 6.058 1.00 0.00 H new ATOM 0 HA THR A 103 13.495 -9.751 5.737 1.00 0.00 H new ATOM 0 HB THR A 103 13.413 -9.488 8.139 1.00 0.00 H new ATOM 0 HG1 THR A 103 12.700 -11.643 8.719 1.00 0.00 H new ATOM 0 HG21 THR A 103 11.337 -9.811 9.430 1.00 0.00 H new ATOM 0 HG22 THR A 103 11.217 -8.419 8.327 1.00 0.00 H new ATOM 0 HG23 THR A 103 10.421 -9.956 7.912 1.00 0.00 H new ATOM 1684 N GLY A 104 11.574 -11.682 5.534 1.00 0.00 N ATOM 1685 CA GLY A 104 10.610 -12.550 4.882 1.00 0.00 C ATOM 1686 C GLY A 104 9.192 -12.299 5.354 1.00 0.00 C ATOM 1687 O GLY A 104 8.254 -12.302 4.556 1.00 0.00 O ATOM 0 H GLY A 104 12.321 -12.167 6.031 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.662 -12.401 3.804 1.00 0.00 H new ATOM 0 HA3 GLY A 104 10.875 -13.590 5.073 1.00 0.00 H new ATOM 1691 N LYS A 105 9.032 -12.084 6.655 1.00 0.00 N ATOM 1692 CA LYS A 105 7.718 -11.831 7.234 1.00 0.00 C ATOM 1693 C LYS A 105 7.052 -10.632 6.567 1.00 0.00 C ATOM 1694 O LYS A 105 6.019 -10.770 5.912 1.00 0.00 O ATOM 1695 CB LYS A 105 7.840 -11.587 8.740 1.00 0.00 C ATOM 1696 CG LYS A 105 6.517 -11.264 9.413 1.00 0.00 C ATOM 1697 CD LYS A 105 6.191 -9.783 9.321 1.00 0.00 C ATOM 1698 CE LYS A 105 5.354 -9.322 10.504 1.00 0.00 C ATOM 1699 NZ LYS A 105 5.570 -7.881 10.808 1.00 0.00 N ATOM 0 H LYS A 105 9.797 -12.080 7.329 1.00 0.00 H new ATOM 0 HA LYS A 105 7.098 -12.711 7.064 1.00 0.00 H new ATOM 0 HB2 LYS A 105 8.270 -12.472 9.209 1.00 0.00 H new ATOM 0 HB3 LYS A 105 8.535 -10.765 8.911 1.00 0.00 H new ATOM 0 HG2 LYS A 105 5.720 -11.843 8.946 1.00 0.00 H new ATOM 0 HG3 LYS A 105 6.558 -11.564 10.460 1.00 0.00 H new ATOM 0 HD2 LYS A 105 7.116 -9.208 9.282 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.653 -9.585 8.394 1.00 0.00 H new ATOM 0 HE2 LYS A 105 4.299 -9.494 10.291 1.00 0.00 H new ATOM 0 HE3 LYS A 105 5.604 -9.920 11.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 4.982 -7.606 11.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 6.572 -7.721 11.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 5.307 -7.308 9.980 1.00 0.00 H new ATOM 1713 N GLU A 106 7.651 -9.457 6.737 1.00 0.00 N ATOM 1714 CA GLU A 106 7.114 -8.235 6.149 1.00 0.00 C ATOM 1715 C GLU A 106 6.739 -8.453 4.687 1.00 0.00 C ATOM 1716 O GLU A 106 5.946 -7.702 4.120 1.00 0.00 O ATOM 1717 CB GLU A 106 8.133 -7.099 6.262 1.00 0.00 C ATOM 1718 CG GLU A 106 8.235 -6.509 7.659 1.00 0.00 C ATOM 1719 CD GLU A 106 8.665 -5.055 7.648 1.00 0.00 C ATOM 1720 OE1 GLU A 106 9.143 -4.585 6.595 1.00 0.00 O ATOM 1721 OE2 GLU A 106 8.524 -4.388 8.694 1.00 0.00 O ATOM 0 H GLU A 106 8.507 -9.326 7.276 1.00 0.00 H new ATOM 0 HA GLU A 106 6.213 -7.963 6.699 1.00 0.00 H new ATOM 0 HB2 GLU A 106 9.113 -7.470 5.961 1.00 0.00 H new ATOM 0 HB3 GLU A 106 7.862 -6.309 5.562 1.00 0.00 H new ATOM 0 HG2 GLU A 106 7.269 -6.595 8.157 1.00 0.00 H new ATOM 0 HG3 GLU A 106 8.948 -7.090 8.244 1.00 0.00 H new ATOM 1728 N MET A 107 7.316 -9.487 4.082 1.00 0.00 N ATOM 1729 CA MET A 107 7.042 -9.805 2.685 1.00 0.00 C ATOM 1730 C MET A 107 5.834 -10.729 2.565 1.00 0.00 C ATOM 1731 O MET A 107 4.989 -10.549 1.688 1.00 0.00 O ATOM 1732 CB MET A 107 8.265 -10.458 2.039 1.00 0.00 C ATOM 1733 CG MET A 107 7.941 -11.237 0.775 1.00 0.00 C ATOM 1734 SD MET A 107 9.372 -11.436 -0.304 1.00 0.00 S ATOM 1735 CE MET A 107 9.415 -13.218 -0.484 1.00 0.00 C ATOM 0 H MET A 107 7.976 -10.118 4.537 1.00 0.00 H new ATOM 0 HA MET A 107 6.819 -8.874 2.163 1.00 0.00 H new ATOM 0 HB2 MET A 107 8.997 -9.686 1.802 1.00 0.00 H new ATOM 0 HB3 MET A 107 8.732 -11.129 2.760 1.00 0.00 H new ATOM 0 HG2 MET A 107 7.557 -12.220 1.047 1.00 0.00 H new ATOM 0 HG3 MET A 107 7.148 -10.724 0.230 1.00 0.00 H new ATOM 0 HE1 MET A 107 10.249 -13.499 -1.127 1.00 0.00 H new ATOM 0 HE2 MET A 107 9.540 -13.680 0.495 1.00 0.00 H new ATOM 0 HE3 MET A 107 8.482 -13.561 -0.930 1.00 0.00 H new ATOM 1745 N GLU A 108 5.760 -11.717 3.451 1.00 0.00 N ATOM 1746 CA GLU A 108 4.656 -12.669 3.442 1.00 0.00 C ATOM 1747 C GLU A 108 3.326 -11.963 3.692 1.00 0.00 C ATOM 1748 O GLU A 108 2.294 -12.343 3.138 1.00 0.00 O ATOM 1749 CB GLU A 108 4.878 -13.752 4.500 1.00 0.00 C ATOM 1750 CG GLU A 108 4.274 -13.414 5.853 1.00 0.00 C ATOM 1751 CD GLU A 108 4.400 -14.551 6.848 1.00 0.00 C ATOM 1752 OE1 GLU A 108 5.509 -15.113 6.967 1.00 0.00 O ATOM 1753 OE2 GLU A 108 3.392 -14.877 7.508 1.00 0.00 O ATOM 0 H GLU A 108 6.451 -11.879 4.184 1.00 0.00 H new ATOM 0 HA GLU A 108 4.621 -13.135 2.457 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.450 -14.689 4.144 1.00 0.00 H new ATOM 0 HB3 GLU A 108 5.949 -13.916 4.620 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.765 -12.528 6.255 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.221 -13.164 5.724 1.00 0.00 H new ATOM 1760 N LEU A 109 3.359 -10.934 4.531 1.00 0.00 N ATOM 1761 CA LEU A 109 2.157 -10.173 4.856 1.00 0.00 C ATOM 1762 C LEU A 109 1.622 -9.448 3.626 1.00 0.00 C ATOM 1763 O LEU A 109 0.414 -9.408 3.393 1.00 0.00 O ATOM 1764 CB LEU A 109 2.453 -9.166 5.968 1.00 0.00 C ATOM 1765 CG LEU A 109 2.967 -9.750 7.284 1.00 0.00 C ATOM 1766 CD1 LEU A 109 3.013 -8.679 8.363 1.00 0.00 C ATOM 1767 CD2 LEU A 109 2.097 -10.918 7.726 1.00 0.00 C ATOM 0 H LEU A 109 4.204 -10.607 4.999 1.00 0.00 H new ATOM 0 HA LEU A 109 1.396 -10.873 5.201 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.190 -8.453 5.598 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.542 -8.605 6.174 1.00 0.00 H new ATOM 0 HG LEU A 109 3.980 -10.118 7.124 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.381 -9.114 9.292 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.679 -7.875 8.050 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.011 -8.279 8.522 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.478 -11.321 8.664 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.072 -10.575 7.868 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.117 -11.696 6.963 1.00 0.00 H new ATOM 1779 N TRP A 110 2.529 -8.877 2.842 1.00 0.00 N ATOM 1780 CA TRP A 110 2.148 -8.154 1.633 1.00 0.00 C ATOM 1781 C TRP A 110 1.768 -9.121 0.518 1.00 0.00 C ATOM 1782 O TRP A 110 0.703 -8.997 -0.087 1.00 0.00 O ATOM 1783 CB TRP A 110 3.293 -7.250 1.173 1.00 0.00 C ATOM 1784 CG TRP A 110 3.246 -5.878 1.775 1.00 0.00 C ATOM 1785 CD1 TRP A 110 4.223 -5.273 2.513 1.00 0.00 C ATOM 1786 CD2 TRP A 110 2.165 -4.943 1.692 1.00 0.00 C ATOM 1787 NE1 TRP A 110 3.815 -4.018 2.894 1.00 0.00 N ATOM 1788 CE2 TRP A 110 2.557 -3.791 2.402 1.00 0.00 C ATOM 1789 CE3 TRP A 110 0.907 -4.965 1.085 1.00 0.00 C ATOM 1790 CZ2 TRP A 110 1.732 -2.675 2.521 1.00 0.00 C ATOM 1791 CZ3 TRP A 110 0.090 -3.857 1.205 1.00 0.00 C ATOM 1792 CH2 TRP A 110 0.505 -2.724 1.917 1.00 0.00 C ATOM 0 H TRP A 110 3.533 -8.900 3.021 1.00 0.00 H new ATOM 0 HA TRP A 110 1.279 -7.538 1.866 1.00 0.00 H new ATOM 0 HB2 TRP A 110 4.243 -7.719 1.430 1.00 0.00 H new ATOM 0 HB3 TRP A 110 3.264 -7.163 0.087 1.00 0.00 H new ATOM 0 HD1 TRP A 110 5.176 -5.716 2.761 1.00 0.00 H new ATOM 0 HE1 TRP A 110 4.360 -3.362 3.453 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.579 -5.833 0.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 2.050 -1.801 3.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -0.886 -3.865 0.742 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -0.156 -1.873 1.991 1.00 0.00 H new ATOM 1803 N MET A 111 2.644 -10.085 0.251 1.00 0.00 N ATOM 1804 CA MET A 111 2.397 -11.074 -0.792 1.00 0.00 C ATOM 1805 C MET A 111 1.088 -11.815 -0.539 1.00 0.00 C ATOM 1806 O MET A 111 0.178 -11.789 -1.368 1.00 0.00 O ATOM 1807 CB MET A 111 3.556 -12.070 -0.864 1.00 0.00 C ATOM 1808 CG MET A 111 4.821 -11.488 -1.472 1.00 0.00 C ATOM 1809 SD MET A 111 4.662 -11.179 -3.242 1.00 0.00 S ATOM 1810 CE MET A 111 5.790 -12.404 -3.902 1.00 0.00 C ATOM 0 H MET A 111 3.530 -10.202 0.742 1.00 0.00 H new ATOM 0 HA MET A 111 2.318 -10.550 -1.745 1.00 0.00 H new ATOM 0 HB2 MET A 111 3.778 -12.430 0.141 1.00 0.00 H new ATOM 0 HB3 MET A 111 3.245 -12.935 -1.451 1.00 0.00 H new ATOM 0 HG2 MET A 111 5.067 -10.555 -0.965 1.00 0.00 H new ATOM 0 HG3 MET A 111 5.651 -12.173 -1.300 1.00 0.00 H new ATOM 0 HE1 MET A 111 6.134 -12.089 -4.887 1.00 0.00 H new ATOM 0 HE2 MET A 111 6.646 -12.507 -3.235 1.00 0.00 H new ATOM 0 HE3 MET A 111 5.278 -13.362 -3.986 1.00 0.00 H new ATOM 1820 N LYS A 112 1.000 -12.476 0.610 1.00 0.00 N ATOM 1821 CA LYS A 112 -0.198 -13.225 0.973 1.00 0.00 C ATOM 1822 C LYS A 112 -1.456 -12.489 0.522 1.00 0.00 C ATOM 1823 O LYS A 112 -2.400 -13.103 0.025 1.00 0.00 O ATOM 1824 CB LYS A 112 -0.242 -13.454 2.485 1.00 0.00 C ATOM 1825 CG LYS A 112 0.692 -14.553 2.961 1.00 0.00 C ATOM 1826 CD LYS A 112 0.164 -15.930 2.595 1.00 0.00 C ATOM 1827 CE LYS A 112 0.628 -16.987 3.586 1.00 0.00 C ATOM 1828 NZ LYS A 112 2.073 -17.308 3.418 1.00 0.00 N ATOM 0 H LYS A 112 1.744 -12.509 1.307 1.00 0.00 H new ATOM 0 HA LYS A 112 -0.161 -14.190 0.467 1.00 0.00 H new ATOM 0 HB2 LYS A 112 0.016 -12.524 2.992 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.262 -13.704 2.777 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.678 -14.411 2.519 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.815 -14.485 4.042 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -0.925 -15.908 2.569 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.502 -16.196 1.593 1.00 0.00 H new ATOM 0 HE2 LYS A 112 0.450 -16.635 4.602 1.00 0.00 H new ATOM 0 HE3 LYS A 112 0.037 -17.893 3.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 2.351 -18.032 4.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 2.239 -17.668 2.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 2.639 -16.449 3.569 1.00 0.00 H new ATOM 1842 N ALA A 113 -1.461 -11.172 0.699 1.00 0.00 N ATOM 1843 CA ALA A 113 -2.602 -10.354 0.307 1.00 0.00 C ATOM 1844 C ALA A 113 -2.550 -10.016 -1.179 1.00 0.00 C ATOM 1845 O ALA A 113 -3.403 -10.449 -1.953 1.00 0.00 O ATOM 1846 CB ALA A 113 -2.648 -9.081 1.139 1.00 0.00 C ATOM 0 H ALA A 113 -0.688 -10.649 1.111 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.510 -10.928 0.490 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -3.505 -8.479 0.836 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.741 -9.339 2.194 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -1.732 -8.512 0.984 1.00 0.00 H new ATOM 1852 N MET A 114 -1.546 -9.238 -1.570 1.00 0.00 N ATOM 1853 CA MET A 114 -1.384 -8.843 -2.964 1.00 0.00 C ATOM 1854 C MET A 114 -1.834 -9.959 -3.902 1.00 0.00 C ATOM 1855 O MET A 114 -2.700 -9.755 -4.754 1.00 0.00 O ATOM 1856 CB MET A 114 0.076 -8.481 -3.247 1.00 0.00 C ATOM 1857 CG MET A 114 0.509 -7.167 -2.618 1.00 0.00 C ATOM 1858 SD MET A 114 2.018 -6.509 -3.353 1.00 0.00 S ATOM 1859 CE MET A 114 2.606 -5.452 -2.031 1.00 0.00 C ATOM 0 H MET A 114 -0.833 -8.869 -0.941 1.00 0.00 H new ATOM 0 HA MET A 114 -2.010 -7.968 -3.143 1.00 0.00 H new ATOM 0 HB2 MET A 114 0.718 -9.280 -2.877 1.00 0.00 H new ATOM 0 HB3 MET A 114 0.225 -8.425 -4.325 1.00 0.00 H new ATOM 0 HG2 MET A 114 -0.292 -6.436 -2.726 1.00 0.00 H new ATOM 0 HG3 MET A 114 0.664 -7.314 -1.549 1.00 0.00 H new ATOM 0 HE1 MET A 114 3.679 -5.593 -1.903 1.00 0.00 H new ATOM 0 HE2 MET A 114 2.404 -4.410 -2.281 1.00 0.00 H new ATOM 0 HE3 MET A 114 2.093 -5.709 -1.104 1.00 0.00 H new ATOM 1869 N LEU A 115 -1.242 -11.137 -3.739 1.00 0.00 N ATOM 1870 CA LEU A 115 -1.582 -12.285 -4.572 1.00 0.00 C ATOM 1871 C LEU A 115 -3.090 -12.515 -4.593 1.00 0.00 C ATOM 1872 O LEU A 115 -3.669 -12.808 -5.639 1.00 0.00 O ATOM 1873 CB LEU A 115 -0.871 -13.539 -4.061 1.00 0.00 C ATOM 1874 CG LEU A 115 0.518 -13.807 -4.642 1.00 0.00 C ATOM 1875 CD1 LEU A 115 0.452 -13.901 -6.159 1.00 0.00 C ATOM 1876 CD2 LEU A 115 1.494 -12.721 -4.215 1.00 0.00 C ATOM 0 H LEU A 115 -0.525 -11.322 -3.038 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.251 -12.076 -5.589 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.781 -13.465 -2.977 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -1.503 -14.402 -4.271 1.00 0.00 H new ATOM 0 HG LEU A 115 0.875 -14.761 -4.254 1.00 0.00 H new ATOM 0 HD11 LEU A 115 1.449 -14.092 -6.555 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -0.214 -14.715 -6.444 1.00 0.00 H new ATOM 0 HD13 LEU A 115 0.073 -12.963 -6.566 1.00 0.00 H new ATOM 0 HD21 LEU A 115 2.477 -12.928 -4.638 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.142 -11.754 -4.573 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.564 -12.702 -3.127 1.00 0.00 H new ATOM 1888 N ASP A 116 -3.720 -12.378 -3.431 1.00 0.00 N ATOM 1889 CA ASP A 116 -5.161 -12.568 -3.316 1.00 0.00 C ATOM 1890 C ASP A 116 -5.911 -11.605 -4.232 1.00 0.00 C ATOM 1891 O ASP A 116 -7.023 -11.892 -4.674 1.00 0.00 O ATOM 1892 CB ASP A 116 -5.610 -12.366 -1.868 1.00 0.00 C ATOM 1893 CG ASP A 116 -6.832 -13.193 -1.519 1.00 0.00 C ATOM 1894 OD1 ASP A 116 -7.635 -13.479 -2.432 1.00 0.00 O ATOM 1895 OD2 ASP A 116 -6.984 -13.555 -0.334 1.00 0.00 O ATOM 0 H ASP A 116 -3.255 -12.136 -2.556 1.00 0.00 H new ATOM 0 HA ASP A 116 -5.393 -13.588 -3.622 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -4.793 -12.630 -1.197 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -5.830 -11.311 -1.703 1.00 0.00 H new ATOM 1900 N ALA A 117 -5.294 -10.462 -4.513 1.00 0.00 N ATOM 1901 CA ALA A 117 -5.902 -9.458 -5.376 1.00 0.00 C ATOM 1902 C ALA A 117 -5.502 -9.671 -6.832 1.00 0.00 C ATOM 1903 O ALA A 117 -6.341 -9.615 -7.731 1.00 0.00 O ATOM 1904 CB ALA A 117 -5.509 -8.061 -4.919 1.00 0.00 C ATOM 0 H ALA A 117 -4.373 -10.209 -4.155 1.00 0.00 H new ATOM 0 HA ALA A 117 -6.985 -9.561 -5.304 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -5.970 -7.321 -5.573 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -5.850 -7.904 -3.896 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -4.425 -7.956 -4.961 1.00 0.00 H new ATOM 1910 N ALA A 118 -4.216 -9.917 -7.058 1.00 0.00 N ATOM 1911 CA ALA A 118 -3.705 -10.140 -8.405 1.00 0.00 C ATOM 1912 C ALA A 118 -4.346 -11.371 -9.038 1.00 0.00 C ATOM 1913 O ALA A 118 -4.876 -11.306 -10.148 1.00 0.00 O ATOM 1914 CB ALA A 118 -2.191 -10.286 -8.379 1.00 0.00 C ATOM 0 H ALA A 118 -3.508 -9.967 -6.325 1.00 0.00 H new ATOM 0 HA ALA A 118 -3.964 -9.273 -9.013 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -1.824 -10.452 -9.392 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -1.745 -9.377 -7.976 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -1.918 -11.134 -7.751 1.00 0.00 H new ATOM 1920 N LEU A 119 -4.294 -12.491 -8.326 1.00 0.00 N ATOM 1921 CA LEU A 119 -4.870 -13.738 -8.818 1.00 0.00 C ATOM 1922 C LEU A 119 -6.160 -13.475 -9.588 1.00 0.00 C ATOM 1923 O LEU A 119 -6.486 -14.190 -10.536 1.00 0.00 O ATOM 1924 CB LEU A 119 -5.143 -14.691 -7.654 1.00 0.00 C ATOM 1925 CG LEU A 119 -6.462 -14.483 -6.910 1.00 0.00 C ATOM 1926 CD1 LEU A 119 -7.575 -15.290 -7.561 1.00 0.00 C ATOM 1927 CD2 LEU A 119 -6.314 -14.861 -5.444 1.00 0.00 C ATOM 0 H LEU A 119 -3.859 -12.562 -7.406 1.00 0.00 H new ATOM 0 HA LEU A 119 -4.151 -14.199 -9.496 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -5.121 -15.712 -8.034 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -4.327 -14.600 -6.937 1.00 0.00 H new ATOM 0 HG LEU A 119 -6.726 -13.427 -6.967 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -8.506 -15.129 -7.018 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.699 -14.971 -8.596 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.319 -16.349 -7.537 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -7.263 -14.706 -4.931 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.026 -15.909 -5.366 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -5.547 -14.239 -4.983 1.00 0.00 H new ATOM 1939 N VAL A 120 -6.890 -12.444 -9.176 1.00 0.00 N ATOM 1940 CA VAL A 120 -8.143 -12.084 -9.829 1.00 0.00 C ATOM 1941 C VAL A 120 -8.005 -12.132 -11.347 1.00 0.00 C ATOM 1942 O VAL A 120 -6.997 -11.695 -11.902 1.00 0.00 O ATOM 1943 CB VAL A 120 -8.611 -10.678 -9.411 1.00 0.00 C ATOM 1944 CG1 VAL A 120 -9.901 -10.309 -10.127 1.00 0.00 C ATOM 1945 CG2 VAL A 120 -8.788 -10.602 -7.902 1.00 0.00 C ATOM 0 H VAL A 120 -6.635 -11.843 -8.392 1.00 0.00 H new ATOM 0 HA VAL A 120 -8.887 -12.815 -9.511 1.00 0.00 H new ATOM 0 HB VAL A 120 -7.845 -9.958 -9.700 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -10.216 -9.312 -9.819 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -9.735 -10.320 -11.204 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -10.678 -11.030 -9.872 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -9.119 -9.601 -7.624 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -9.534 -11.332 -7.586 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -7.838 -10.819 -7.413 1.00 0.00 H new ATOM 1955 N GLN A 121 -9.025 -12.664 -12.012 1.00 0.00 N ATOM 1956 CA GLN A 121 -9.017 -12.769 -13.466 1.00 0.00 C ATOM 1957 C GLN A 121 -9.936 -11.724 -14.092 1.00 0.00 C ATOM 1958 O GLN A 121 -10.735 -12.034 -14.976 1.00 0.00 O ATOM 1959 CB GLN A 121 -9.449 -14.170 -13.900 1.00 0.00 C ATOM 1960 CG GLN A 121 -8.566 -15.277 -13.348 1.00 0.00 C ATOM 1961 CD GLN A 121 -7.108 -15.103 -13.725 1.00 0.00 C ATOM 1962 OE1 GLN A 121 -6.788 -14.680 -14.836 1.00 0.00 O ATOM 1963 NE2 GLN A 121 -6.214 -15.428 -12.798 1.00 0.00 N ATOM 0 H GLN A 121 -9.867 -13.029 -11.567 1.00 0.00 H new ATOM 0 HA GLN A 121 -8.000 -12.587 -13.813 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -10.476 -14.341 -13.577 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -9.444 -14.222 -14.989 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -8.656 -15.301 -12.262 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -8.921 -16.239 -13.719 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -6.524 -15.775 -11.890 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -5.218 -15.331 -12.994 1.00 0.00 H new ATOM 1972 N THR A 122 -9.817 -10.484 -13.628 1.00 0.00 N ATOM 1973 CA THR A 122 -10.637 -9.394 -14.140 1.00 0.00 C ATOM 1974 C THR A 122 -9.968 -8.715 -15.330 1.00 0.00 C ATOM 1975 O THR A 122 -10.156 -7.521 -15.562 1.00 0.00 O ATOM 1976 CB THR A 122 -10.914 -8.340 -13.052 1.00 0.00 C ATOM 1977 OG1 THR A 122 -11.899 -7.408 -13.512 1.00 0.00 O ATOM 1978 CG2 THR A 122 -9.640 -7.597 -12.681 1.00 0.00 C ATOM 0 H THR A 122 -9.160 -10.210 -12.898 1.00 0.00 H new ATOM 0 HA THR A 122 -11.582 -9.833 -14.459 1.00 0.00 H new ATOM 0 HB THR A 122 -11.287 -8.854 -12.166 1.00 0.00 H new ATOM 0 HG1 THR A 122 -11.626 -7.045 -14.380 1.00 0.00 H new ATOM 0 HG21 THR A 122 -9.861 -6.858 -11.911 1.00 0.00 H new ATOM 0 HG22 THR A 122 -8.903 -8.305 -12.303 1.00 0.00 H new ATOM 0 HG23 THR A 122 -9.242 -7.094 -13.563 1.00 0.00 H new ATOM 1986 N SER A 123 -9.186 -9.484 -16.081 1.00 0.00 N ATOM 1987 CA SER A 123 -8.486 -8.955 -17.246 1.00 0.00 C ATOM 1988 C SER A 123 -9.475 -8.532 -18.328 1.00 0.00 C ATOM 1989 O SER A 123 -10.403 -9.268 -18.659 1.00 0.00 O ATOM 1990 CB SER A 123 -7.518 -10.001 -17.804 1.00 0.00 C ATOM 1991 OG SER A 123 -6.338 -10.072 -17.023 1.00 0.00 O ATOM 0 H SER A 123 -9.021 -10.475 -15.904 1.00 0.00 H new ATOM 0 HA SER A 123 -7.920 -8.078 -16.932 1.00 0.00 H new ATOM 0 HB2 SER A 123 -8.004 -10.977 -17.824 1.00 0.00 H new ATOM 0 HB3 SER A 123 -7.262 -9.751 -18.834 1.00 0.00 H new ATOM 0 HG SER A 123 -5.737 -10.748 -17.399 1.00 0.00 H new ATOM 1997 N GLY A 124 -9.268 -7.338 -18.876 1.00 0.00 N ATOM 1998 CA GLY A 124 -10.148 -6.836 -19.915 1.00 0.00 C ATOM 1999 C GLY A 124 -9.393 -6.131 -21.024 1.00 0.00 C ATOM 2000 O GLY A 124 -9.079 -4.944 -20.933 1.00 0.00 O ATOM 0 H GLY A 124 -8.507 -6.710 -18.619 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -10.717 -7.665 -20.337 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -10.868 -6.146 -19.475 1.00 0.00 H new ATOM 2004 N PRO A 125 -9.088 -6.870 -22.101 1.00 0.00 N ATOM 2005 CA PRO A 125 -8.360 -6.329 -23.252 1.00 0.00 C ATOM 2006 C PRO A 125 -8.890 -4.966 -23.684 1.00 0.00 C ATOM 2007 O PRO A 125 -8.128 -4.103 -24.122 1.00 0.00 O ATOM 2008 CB PRO A 125 -8.605 -7.369 -24.348 1.00 0.00 C ATOM 2009 CG PRO A 125 -8.819 -8.648 -23.614 1.00 0.00 C ATOM 2010 CD PRO A 125 -9.430 -8.291 -22.277 1.00 0.00 C ATOM 0 HA PRO A 125 -7.306 -6.167 -23.027 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -9.474 -7.110 -24.953 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -7.754 -7.439 -25.025 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -9.479 -9.310 -24.176 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -7.876 -9.178 -23.478 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -10.509 -8.445 -22.277 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -9.020 -8.903 -21.474 1.00 0.00 H new ATOM 2018 N SER A 126 -10.199 -4.778 -23.559 1.00 0.00 N ATOM 2019 CA SER A 126 -10.831 -3.520 -23.940 1.00 0.00 C ATOM 2020 C SER A 126 -10.554 -2.437 -22.902 1.00 0.00 C ATOM 2021 O SER A 126 -11.338 -2.235 -21.974 1.00 0.00 O ATOM 2022 CB SER A 126 -12.340 -3.712 -24.102 1.00 0.00 C ATOM 2023 OG SER A 126 -12.629 -4.628 -25.145 1.00 0.00 O ATOM 0 H SER A 126 -10.843 -5.481 -23.197 1.00 0.00 H new ATOM 0 HA SER A 126 -10.407 -3.203 -24.893 1.00 0.00 H new ATOM 0 HB2 SER A 126 -12.766 -4.075 -23.167 1.00 0.00 H new ATOM 0 HB3 SER A 126 -12.811 -2.752 -24.316 1.00 0.00 H new ATOM 0 HG SER A 126 -13.600 -4.735 -25.227 1.00 0.00 H new ATOM 2029 N SER A 127 -9.432 -1.742 -23.066 1.00 0.00 N ATOM 2030 CA SER A 127 -9.048 -0.682 -22.142 1.00 0.00 C ATOM 2031 C SER A 127 -9.608 0.663 -22.596 1.00 0.00 C ATOM 2032 O SER A 127 -9.014 1.347 -23.428 1.00 0.00 O ATOM 2033 CB SER A 127 -7.524 -0.601 -22.031 1.00 0.00 C ATOM 2034 OG SER A 127 -7.128 0.524 -21.265 1.00 0.00 O ATOM 0 H SER A 127 -8.774 -1.894 -23.830 1.00 0.00 H new ATOM 0 HA SER A 127 -9.465 -0.918 -21.163 1.00 0.00 H new ATOM 0 HB2 SER A 127 -7.141 -1.512 -21.571 1.00 0.00 H new ATOM 0 HB3 SER A 127 -7.086 -0.539 -23.027 1.00 0.00 H new ATOM 0 HG SER A 127 -6.158 0.645 -21.339 1.00 0.00 H new ATOM 2040 N GLY A 128 -10.758 1.036 -22.041 1.00 0.00 N ATOM 2041 CA GLY A 128 -11.380 2.297 -22.400 1.00 0.00 C ATOM 2042 C GLY A 128 -12.710 2.107 -23.103 1.00 0.00 C ATOM 2043 O GLY A 128 -13.658 1.580 -22.521 1.00 0.00 O ATOM 0 H GLY A 128 -11.269 0.487 -21.350 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -11.530 2.894 -21.500 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -10.707 2.859 -23.047 1.00 0.00 H new TER 2047 GLY A 128