USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 756 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 76 SER OG : rot -12:sc= -0.417 USER MOD Set 1.2: A 78 TYR OH : rot -35:sc= 1.04 USER MOD Single : A 1 GLY N :NH3+ -108:sc= 0.0629 (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 12 LYS NZ :NH3+ -150:sc= -0.185 (180deg=-1.35!) USER MOD Single : A 18 TYR OH : rot 180:sc= -0.216 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.194 USER MOD Single : A 43 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.118) USER MOD Single : A 44 ASN : amide:sc= -1.06 K(o=-1.1,f=-3.7!) USER MOD Single : A 46 GLN : amide:sc= -0.207 K(o=-0.21,f=-2.3!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -0.955 K(o=-0.96,f=-2.3!) USER MOD Single : A 59 LYS NZ :NH3+ -178:sc= -0.155 (180deg=-0.161) USER MOD Single : A 61 CYS SG : rot 180:sc= -0.0962 USER MOD Single : A 62 GLN : amide:sc= -0.351 X(o=-0.35,f=0) USER MOD Single : A 68 ASN : amide:sc= -0.485 K(o=-0.48,f=-8.6!) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 70 CYS SG : rot 9:sc= -3.17! USER MOD Single : A 71 GLN : amide:sc= -1.57 K(o=-1.6,f=-7.6!) USER MOD Single : A 72 MET CE :methyl -139:sc= -1.03 (180deg=-2.52!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 97:sc= 0.166 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -165:sc=-0.00468 (180deg=-0.17) USER MOD Single : A 87 CYS SG : rot -126:sc= -1.12 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot -166:sc= 1.75 USER MOD Single : A 95 SER OG : rot 180:sc= -0.229 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.590 12.115 -14.897 1.00 0.00 N ATOM 2 CA GLY A 1 -9.182 11.140 -15.794 1.00 0.00 C ATOM 3 C GLY A 1 -9.768 9.953 -15.056 1.00 0.00 C ATOM 4 O GLY A 1 -9.428 9.703 -13.900 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.192 12.962 -14.859 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.508 11.706 -13.944 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.645 12.377 -15.243 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.964 11.620 -16.382 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.425 10.790 -16.496 1.00 0.00 H new ATOM 8 N SER A 2 -10.654 9.221 -15.725 1.00 0.00 N ATOM 9 CA SER A 2 -11.294 8.058 -15.123 1.00 0.00 C ATOM 10 C SER A 2 -11.267 6.868 -16.078 1.00 0.00 C ATOM 11 O SER A 2 -11.724 6.961 -17.217 1.00 0.00 O ATOM 12 CB SER A 2 -12.738 8.385 -14.739 1.00 0.00 C ATOM 13 OG SER A 2 -13.360 7.281 -14.104 1.00 0.00 O ATOM 0 H SER A 2 -10.944 9.413 -16.684 1.00 0.00 H new ATOM 0 HA SER A 2 -10.738 7.793 -14.224 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.754 9.248 -14.073 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.301 8.660 -15.631 1.00 0.00 H new ATOM 0 HG SER A 2 -14.281 7.516 -13.867 1.00 0.00 H new ATOM 19 N SER A 3 -10.726 5.750 -15.604 1.00 0.00 N ATOM 20 CA SER A 3 -10.635 4.542 -16.416 1.00 0.00 C ATOM 21 C SER A 3 -11.329 3.371 -15.727 1.00 0.00 C ATOM 22 O SER A 3 -10.751 2.713 -14.863 1.00 0.00 O ATOM 23 CB SER A 3 -9.170 4.193 -16.687 1.00 0.00 C ATOM 24 OG SER A 3 -9.051 3.313 -17.791 1.00 0.00 O ATOM 0 H SER A 3 -10.344 5.656 -14.663 1.00 0.00 H new ATOM 0 HA SER A 3 -11.137 4.733 -17.364 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.606 5.105 -16.882 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.733 3.732 -15.801 1.00 0.00 H new ATOM 0 HG SER A 3 -8.105 3.107 -17.945 1.00 0.00 H new ATOM 30 N GLY A 4 -12.574 3.116 -16.118 1.00 0.00 N ATOM 31 CA GLY A 4 -13.328 2.024 -15.529 1.00 0.00 C ATOM 32 C GLY A 4 -14.807 2.100 -15.853 1.00 0.00 C ATOM 33 O GLY A 4 -15.430 3.150 -15.699 1.00 0.00 O ATOM 0 H GLY A 4 -13.074 3.646 -16.832 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.929 1.076 -15.888 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.195 2.037 -14.447 1.00 0.00 H new ATOM 37 N SER A 5 -15.370 0.984 -16.304 1.00 0.00 N ATOM 38 CA SER A 5 -16.784 0.930 -16.656 1.00 0.00 C ATOM 39 C SER A 5 -17.442 -0.316 -16.070 1.00 0.00 C ATOM 40 O SER A 5 -18.556 -0.256 -15.549 1.00 0.00 O ATOM 41 CB SER A 5 -16.954 0.943 -18.176 1.00 0.00 C ATOM 42 OG SER A 5 -16.587 2.199 -18.719 1.00 0.00 O ATOM 0 H SER A 5 -14.869 0.105 -16.434 1.00 0.00 H new ATOM 0 HA SER A 5 -17.272 1.810 -16.236 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.342 0.158 -18.620 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.990 0.722 -18.431 1.00 0.00 H new ATOM 0 HG SER A 5 -16.703 2.181 -19.692 1.00 0.00 H new ATOM 48 N SER A 6 -16.745 -1.444 -16.160 1.00 0.00 N ATOM 49 CA SER A 6 -17.262 -2.705 -15.642 1.00 0.00 C ATOM 50 C SER A 6 -16.433 -3.186 -14.455 1.00 0.00 C ATOM 51 O SER A 6 -16.969 -3.480 -13.388 1.00 0.00 O ATOM 52 CB SER A 6 -17.263 -3.769 -16.742 1.00 0.00 C ATOM 53 OG SER A 6 -18.479 -3.750 -17.469 1.00 0.00 O ATOM 0 H SER A 6 -15.821 -1.510 -16.587 1.00 0.00 H new ATOM 0 HA SER A 6 -18.285 -2.539 -15.305 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.427 -3.596 -17.420 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.116 -4.754 -16.299 1.00 0.00 H new ATOM 0 HG SER A 6 -18.454 -4.438 -18.167 1.00 0.00 H new ATOM 59 N GLY A 7 -15.120 -3.263 -14.650 1.00 0.00 N ATOM 60 CA GLY A 7 -14.237 -3.708 -13.587 1.00 0.00 C ATOM 61 C GLY A 7 -13.255 -2.635 -13.161 1.00 0.00 C ATOM 62 O GLY A 7 -12.281 -2.362 -13.861 1.00 0.00 O ATOM 0 H GLY A 7 -14.652 -3.025 -15.525 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.834 -4.012 -12.727 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.687 -4.588 -13.921 1.00 0.00 H new ATOM 66 N ALA A 8 -13.513 -2.022 -12.010 1.00 0.00 N ATOM 67 CA ALA A 8 -12.644 -0.973 -11.492 1.00 0.00 C ATOM 68 C ALA A 8 -12.996 -0.633 -10.048 1.00 0.00 C ATOM 69 O ALA A 8 -14.063 -0.088 -9.770 1.00 0.00 O ATOM 70 CB ALA A 8 -12.738 0.269 -12.366 1.00 0.00 C ATOM 0 H ALA A 8 -14.317 -2.234 -11.419 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.618 -1.342 -11.512 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.084 1.045 -11.968 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.431 0.023 -13.383 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.766 0.631 -12.375 1.00 0.00 H new ATOM 76 N ALA A 9 -12.090 -0.960 -9.131 1.00 0.00 N ATOM 77 CA ALA A 9 -12.305 -0.688 -7.715 1.00 0.00 C ATOM 78 C ALA A 9 -11.328 0.366 -7.205 1.00 0.00 C ATOM 79 O ALA A 9 -11.594 1.046 -6.213 1.00 0.00 O ATOM 80 CB ALA A 9 -12.172 -1.969 -6.905 1.00 0.00 C ATOM 0 H ALA A 9 -11.201 -1.413 -9.344 1.00 0.00 H new ATOM 0 HA ALA A 9 -13.316 -0.298 -7.594 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -12.335 -1.751 -5.850 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -12.913 -2.693 -7.245 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.173 -2.383 -7.040 1.00 0.00 H new ATOM 86 N PHE A 10 -10.195 0.497 -7.888 1.00 0.00 N ATOM 87 CA PHE A 10 -9.178 1.467 -7.502 1.00 0.00 C ATOM 88 C PHE A 10 -9.277 2.728 -8.355 1.00 0.00 C ATOM 89 O PHE A 10 -9.134 2.677 -9.576 1.00 0.00 O ATOM 90 CB PHE A 10 -7.782 0.855 -7.637 1.00 0.00 C ATOM 91 CG PHE A 10 -7.407 -0.042 -6.493 1.00 0.00 C ATOM 92 CD1 PHE A 10 -7.033 0.492 -5.270 1.00 0.00 C ATOM 93 CD2 PHE A 10 -7.430 -1.420 -6.639 1.00 0.00 C ATOM 94 CE1 PHE A 10 -6.687 -0.332 -4.216 1.00 0.00 C ATOM 95 CE2 PHE A 10 -7.086 -2.249 -5.588 1.00 0.00 C ATOM 96 CZ PHE A 10 -6.714 -1.704 -4.375 1.00 0.00 C ATOM 0 H PHE A 10 -9.959 -0.057 -8.711 1.00 0.00 H new ATOM 0 HA PHE A 10 -9.349 1.740 -6.461 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.732 0.286 -8.566 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.048 1.657 -7.715 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -7.012 1.564 -5.139 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -7.720 -1.851 -7.586 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -6.396 0.096 -3.268 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -7.108 -3.321 -5.715 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.445 -2.349 -3.552 1.00 0.00 H new ATOM 106 N ALA A 11 -9.525 3.859 -7.703 1.00 0.00 N ATOM 107 CA ALA A 11 -9.643 5.134 -8.400 1.00 0.00 C ATOM 108 C ALA A 11 -8.271 5.677 -8.786 1.00 0.00 C ATOM 109 O ALA A 11 -8.119 6.332 -9.818 1.00 0.00 O ATOM 110 CB ALA A 11 -10.388 6.141 -7.537 1.00 0.00 C ATOM 0 H ALA A 11 -9.648 3.918 -6.692 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.210 4.968 -9.316 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.468 7.088 -8.070 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.386 5.763 -7.316 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.844 6.294 -6.605 1.00 0.00 H new ATOM 116 N LYS A 12 -7.275 5.402 -7.951 1.00 0.00 N ATOM 117 CA LYS A 12 -5.915 5.862 -8.205 1.00 0.00 C ATOM 118 C LYS A 12 -4.894 4.861 -7.675 1.00 0.00 C ATOM 119 O LYS A 12 -4.732 4.708 -6.464 1.00 0.00 O ATOM 120 CB LYS A 12 -5.688 7.230 -7.556 1.00 0.00 C ATOM 121 CG LYS A 12 -4.405 7.909 -8.002 1.00 0.00 C ATOM 122 CD LYS A 12 -4.533 8.478 -9.405 1.00 0.00 C ATOM 123 CE LYS A 12 -5.105 9.887 -9.385 1.00 0.00 C ATOM 124 NZ LYS A 12 -6.594 9.882 -9.417 1.00 0.00 N ATOM 0 H LYS A 12 -7.384 4.863 -7.092 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.784 5.951 -9.283 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.533 7.878 -7.790 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.668 7.110 -6.473 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.155 8.709 -7.305 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.584 7.193 -7.973 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.555 8.488 -9.885 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.175 7.832 -10.004 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.763 10.405 -8.489 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.725 10.445 -10.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.934 10.741 -9.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.927 9.043 -9.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.962 9.859 -8.445 1.00 0.00 H new ATOM 138 N ILE A 13 -4.207 4.183 -8.588 1.00 0.00 N ATOM 139 CA ILE A 13 -3.200 3.199 -8.211 1.00 0.00 C ATOM 140 C ILE A 13 -1.898 3.876 -7.795 1.00 0.00 C ATOM 141 O ILE A 13 -1.740 5.088 -7.947 1.00 0.00 O ATOM 142 CB ILE A 13 -2.910 2.220 -9.364 1.00 0.00 C ATOM 143 CG1 ILE A 13 -2.316 2.967 -10.560 1.00 0.00 C ATOM 144 CG2 ILE A 13 -4.181 1.488 -9.769 1.00 0.00 C ATOM 145 CD1 ILE A 13 -1.541 2.076 -11.505 1.00 0.00 C ATOM 0 H ILE A 13 -4.329 4.297 -9.594 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.604 2.643 -7.365 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.183 1.484 -9.021 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.121 3.453 -11.111 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.658 3.755 -10.195 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.960 0.800 -10.585 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.566 0.929 -8.916 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.929 2.211 -10.096 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.149 2.673 -12.329 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.714 1.609 -10.969 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.200 1.303 -11.899 1.00 0.00 H new ATOM 157 N LEU A 14 -0.968 3.085 -7.272 1.00 0.00 N ATOM 158 CA LEU A 14 0.322 3.607 -6.835 1.00 0.00 C ATOM 159 C LEU A 14 1.266 3.787 -8.020 1.00 0.00 C ATOM 160 O LEU A 14 0.972 3.350 -9.132 1.00 0.00 O ATOM 161 CB LEU A 14 0.952 2.668 -5.805 1.00 0.00 C ATOM 162 CG LEU A 14 0.074 2.295 -4.610 1.00 0.00 C ATOM 163 CD1 LEU A 14 -0.711 1.025 -4.900 1.00 0.00 C ATOM 164 CD2 LEU A 14 0.921 2.126 -3.357 1.00 0.00 C ATOM 0 H LEU A 14 -1.083 2.080 -7.140 1.00 0.00 H new ATOM 0 HA LEU A 14 0.155 4.581 -6.375 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.248 1.750 -6.313 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.864 3.133 -5.429 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.635 3.105 -4.438 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.330 0.775 -4.038 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.347 1.182 -5.771 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.019 0.207 -5.099 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.279 1.861 -2.517 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.654 1.335 -3.517 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.437 3.061 -3.138 1.00 0.00 H new ATOM 176 N ASP A 15 2.401 4.432 -7.772 1.00 0.00 N ATOM 177 CA ASP A 15 3.390 4.668 -8.818 1.00 0.00 C ATOM 178 C ASP A 15 4.033 3.358 -9.262 1.00 0.00 C ATOM 179 O ASP A 15 4.007 2.353 -8.552 1.00 0.00 O ATOM 180 CB ASP A 15 4.465 5.637 -8.323 1.00 0.00 C ATOM 181 CG ASP A 15 4.107 7.085 -8.594 1.00 0.00 C ATOM 182 OD1 ASP A 15 3.797 7.412 -9.758 1.00 0.00 O ATOM 183 OD2 ASP A 15 4.137 7.891 -7.641 1.00 0.00 O ATOM 0 H ASP A 15 2.659 4.801 -6.857 1.00 0.00 H new ATOM 0 HA ASP A 15 2.880 5.110 -9.674 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.612 5.496 -7.252 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.413 5.403 -8.808 1.00 0.00 H new ATOM 188 N PRO A 16 4.625 3.367 -10.465 1.00 0.00 N ATOM 189 CA PRO A 16 5.287 2.188 -11.032 1.00 0.00 C ATOM 190 C PRO A 16 6.573 1.834 -10.293 1.00 0.00 C ATOM 191 O PRO A 16 7.159 0.776 -10.521 1.00 0.00 O ATOM 192 CB PRO A 16 5.595 2.611 -12.470 1.00 0.00 C ATOM 193 CG PRO A 16 5.678 4.097 -12.419 1.00 0.00 C ATOM 194 CD PRO A 16 4.695 4.530 -11.366 1.00 0.00 C ATOM 0 HA PRO A 16 4.664 1.297 -10.960 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.531 2.174 -12.819 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.814 2.282 -13.155 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.687 4.423 -12.168 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.432 4.535 -13.386 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.035 5.424 -10.843 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.721 4.764 -11.797 1.00 0.00 H new ATOM 202 N ALA A 17 7.006 2.725 -9.408 1.00 0.00 N ATOM 203 CA ALA A 17 8.221 2.505 -8.634 1.00 0.00 C ATOM 204 C ALA A 17 8.427 3.614 -7.607 1.00 0.00 C ATOM 205 O ALA A 17 8.033 4.759 -7.829 1.00 0.00 O ATOM 206 CB ALA A 17 9.426 2.410 -9.559 1.00 0.00 C ATOM 0 H ALA A 17 6.533 3.607 -9.209 1.00 0.00 H new ATOM 0 HA ALA A 17 8.114 1.563 -8.096 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.327 2.246 -8.968 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.289 1.579 -10.250 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.526 3.338 -10.122 1.00 0.00 H new ATOM 212 N TYR A 18 9.045 3.266 -6.484 1.00 0.00 N ATOM 213 CA TYR A 18 9.299 4.231 -5.421 1.00 0.00 C ATOM 214 C TYR A 18 10.784 4.279 -5.073 1.00 0.00 C ATOM 215 O TYR A 18 11.545 3.381 -5.432 1.00 0.00 O ATOM 216 CB TYR A 18 8.483 3.879 -4.177 1.00 0.00 C ATOM 217 CG TYR A 18 7.012 4.206 -4.305 1.00 0.00 C ATOM 218 CD1 TYR A 18 6.207 3.533 -5.216 1.00 0.00 C ATOM 219 CD2 TYR A 18 6.427 5.187 -3.515 1.00 0.00 C ATOM 220 CE1 TYR A 18 4.864 3.829 -5.337 1.00 0.00 C ATOM 221 CE2 TYR A 18 5.084 5.489 -3.628 1.00 0.00 C ATOM 222 CZ TYR A 18 4.306 4.807 -4.541 1.00 0.00 C ATOM 223 OH TYR A 18 2.968 5.104 -4.657 1.00 0.00 O ATOM 0 H TYR A 18 9.379 2.323 -6.286 1.00 0.00 H new ATOM 0 HA TYR A 18 8.996 5.215 -5.778 1.00 0.00 H new ATOM 0 HB2 TYR A 18 8.593 2.815 -3.970 1.00 0.00 H new ATOM 0 HB3 TYR A 18 8.892 4.415 -3.321 1.00 0.00 H new ATOM 0 HD1 TYR A 18 6.639 2.765 -5.840 1.00 0.00 H new ATOM 0 HD2 TYR A 18 7.033 5.723 -2.800 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.253 3.297 -6.052 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.645 6.255 -3.005 1.00 0.00 H new ATOM 0 HH TYR A 18 2.735 5.815 -4.024 1.00 0.00 H new ATOM 233 N GLN A 19 11.187 5.332 -4.370 1.00 0.00 N ATOM 234 CA GLN A 19 12.580 5.497 -3.972 1.00 0.00 C ATOM 235 C GLN A 19 12.684 6.272 -2.662 1.00 0.00 C ATOM 236 O GLN A 19 12.122 7.359 -2.525 1.00 0.00 O ATOM 237 CB GLN A 19 13.363 6.220 -5.069 1.00 0.00 C ATOM 238 CG GLN A 19 13.407 5.462 -6.386 1.00 0.00 C ATOM 239 CD GLN A 19 13.844 6.333 -7.547 1.00 0.00 C ATOM 240 OE1 GLN A 19 14.635 7.262 -7.378 1.00 0.00 O ATOM 241 NE2 GLN A 19 13.330 6.039 -8.735 1.00 0.00 N ATOM 0 H GLN A 19 10.569 6.084 -4.064 1.00 0.00 H new ATOM 0 HA GLN A 19 13.009 4.506 -3.822 1.00 0.00 H new ATOM 0 HB2 GLN A 19 12.915 7.199 -5.238 1.00 0.00 H new ATOM 0 HB3 GLN A 19 14.383 6.391 -4.724 1.00 0.00 H new ATOM 0 HG2 GLN A 19 14.091 4.618 -6.292 1.00 0.00 H new ATOM 0 HG3 GLN A 19 12.420 5.051 -6.597 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.678 5.260 -8.830 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.587 6.592 -9.553 1.00 0.00 H new ATOM 250 N VAL A 20 13.406 5.705 -1.701 1.00 0.00 N ATOM 251 CA VAL A 20 13.584 6.342 -0.402 1.00 0.00 C ATOM 252 C VAL A 20 15.020 6.195 0.090 1.00 0.00 C ATOM 253 O VAL A 20 15.775 5.361 -0.409 1.00 0.00 O ATOM 254 CB VAL A 20 12.629 5.747 0.651 1.00 0.00 C ATOM 255 CG1 VAL A 20 13.023 4.316 0.981 1.00 0.00 C ATOM 256 CG2 VAL A 20 12.617 6.608 1.905 1.00 0.00 C ATOM 0 H VAL A 20 13.877 4.806 -1.798 1.00 0.00 H new ATOM 0 HA VAL A 20 13.354 7.399 -0.534 1.00 0.00 H new ATOM 0 HB VAL A 20 11.621 5.734 0.237 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.337 3.912 1.726 1.00 0.00 H new ATOM 0 HG12 VAL A 20 12.976 3.708 0.078 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.039 4.300 1.376 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.938 6.173 2.638 1.00 0.00 H new ATOM 0 HG22 VAL A 20 13.622 6.654 2.324 1.00 0.00 H new ATOM 0 HG23 VAL A 20 12.283 7.614 1.652 1.00 0.00 H new ATOM 266 N ASP A 21 15.389 7.011 1.071 1.00 0.00 N ATOM 267 CA ASP A 21 16.735 6.971 1.632 1.00 0.00 C ATOM 268 C ASP A 21 16.859 5.857 2.666 1.00 0.00 C ATOM 269 O ASP A 21 15.937 5.610 3.444 1.00 0.00 O ATOM 270 CB ASP A 21 17.084 8.317 2.269 1.00 0.00 C ATOM 271 CG ASP A 21 16.030 8.782 3.255 1.00 0.00 C ATOM 272 OD1 ASP A 21 15.024 9.376 2.812 1.00 0.00 O ATOM 273 OD2 ASP A 21 16.210 8.551 4.469 1.00 0.00 O ATOM 0 H ASP A 21 14.776 7.708 1.494 1.00 0.00 H new ATOM 0 HA ASP A 21 17.435 6.769 0.821 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.044 8.236 2.779 1.00 0.00 H new ATOM 0 HB3 ASP A 21 17.201 9.067 1.486 1.00 0.00 H new ATOM 278 N LYS A 22 18.006 5.185 2.669 1.00 0.00 N ATOM 279 CA LYS A 22 18.253 4.097 3.607 1.00 0.00 C ATOM 280 C LYS A 22 17.642 4.404 4.971 1.00 0.00 C ATOM 281 O LYS A 22 17.559 5.563 5.377 1.00 0.00 O ATOM 282 CB LYS A 22 19.757 3.854 3.754 1.00 0.00 C ATOM 283 CG LYS A 22 20.103 2.777 4.768 1.00 0.00 C ATOM 284 CD LYS A 22 21.513 2.953 5.308 1.00 0.00 C ATOM 285 CE LYS A 22 21.976 1.719 6.067 1.00 0.00 C ATOM 286 NZ LYS A 22 23.378 1.860 6.550 1.00 0.00 N ATOM 0 H LYS A 22 18.779 5.375 2.032 1.00 0.00 H new ATOM 0 HA LYS A 22 17.782 3.197 3.212 1.00 0.00 H new ATOM 0 HB2 LYS A 22 20.168 3.573 2.784 1.00 0.00 H new ATOM 0 HB3 LYS A 22 20.240 4.786 4.047 1.00 0.00 H new ATOM 0 HG2 LYS A 22 19.390 2.809 5.592 1.00 0.00 H new ATOM 0 HG3 LYS A 22 20.010 1.795 4.304 1.00 0.00 H new ATOM 0 HD2 LYS A 22 22.197 3.153 4.484 1.00 0.00 H new ATOM 0 HD3 LYS A 22 21.546 3.821 5.967 1.00 0.00 H new ATOM 0 HE2 LYS A 22 21.315 1.545 6.916 1.00 0.00 H new ATOM 0 HE3 LYS A 22 21.901 0.845 5.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 23.657 0.999 7.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 24.012 2.001 5.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 23.445 2.679 7.187 1.00 0.00 H new ATOM 300 N GLY A 23 17.218 3.359 5.674 1.00 0.00 N ATOM 301 CA GLY A 23 16.622 3.539 6.985 1.00 0.00 C ATOM 302 C GLY A 23 15.712 4.749 7.047 1.00 0.00 C ATOM 303 O GLY A 23 15.577 5.380 8.094 1.00 0.00 O ATOM 0 H GLY A 23 17.276 2.391 5.359 1.00 0.00 H new ATOM 0 HA2 GLY A 23 16.053 2.647 7.248 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.412 3.644 7.729 1.00 0.00 H new ATOM 307 N GLY A 24 15.087 5.076 5.920 1.00 0.00 N ATOM 308 CA GLY A 24 14.195 6.220 5.871 1.00 0.00 C ATOM 309 C GLY A 24 12.739 5.826 6.025 1.00 0.00 C ATOM 310 O GLY A 24 12.413 4.910 6.780 1.00 0.00 O ATOM 0 H GLY A 24 15.182 4.569 5.040 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.464 6.921 6.661 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.329 6.741 4.923 1.00 0.00 H new ATOM 314 N ARG A 25 11.861 6.522 5.310 1.00 0.00 N ATOM 315 CA ARG A 25 10.431 6.242 5.374 1.00 0.00 C ATOM 316 C ARG A 25 9.775 6.454 4.012 1.00 0.00 C ATOM 317 O ARG A 25 9.890 7.525 3.416 1.00 0.00 O ATOM 318 CB ARG A 25 9.761 7.134 6.420 1.00 0.00 C ATOM 319 CG ARG A 25 8.468 6.558 6.974 1.00 0.00 C ATOM 320 CD ARG A 25 7.718 7.579 7.814 1.00 0.00 C ATOM 321 NE ARG A 25 8.376 7.824 9.094 1.00 0.00 N ATOM 322 CZ ARG A 25 7.814 8.498 10.092 1.00 0.00 C ATOM 323 NH1 ARG A 25 6.590 8.990 9.958 1.00 0.00 N ATOM 324 NH2 ARG A 25 8.476 8.679 11.227 1.00 0.00 N ATOM 0 H ARG A 25 12.114 7.283 4.680 1.00 0.00 H new ATOM 0 HA ARG A 25 10.303 5.199 5.662 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.457 7.300 7.243 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.554 8.108 5.976 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.834 6.226 6.151 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.690 5.679 7.580 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.640 8.515 7.262 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.702 7.227 7.990 1.00 0.00 H new ATOM 0 HE ARG A 25 9.318 7.458 9.230 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.077 8.852 9.087 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.161 9.507 10.726 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.417 8.301 11.334 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.044 9.196 11.992 1.00 0.00 H new ATOM 338 N VAL A 26 9.087 5.426 3.526 1.00 0.00 N ATOM 339 CA VAL A 26 8.412 5.500 2.236 1.00 0.00 C ATOM 340 C VAL A 26 6.961 5.941 2.399 1.00 0.00 C ATOM 341 O VAL A 26 6.436 5.984 3.512 1.00 0.00 O ATOM 342 CB VAL A 26 8.445 4.144 1.506 1.00 0.00 C ATOM 343 CG1 VAL A 26 9.880 3.726 1.222 1.00 0.00 C ATOM 344 CG2 VAL A 26 7.724 3.082 2.322 1.00 0.00 C ATOM 0 H VAL A 26 8.982 4.532 4.006 1.00 0.00 H new ATOM 0 HA VAL A 26 8.949 6.238 1.640 1.00 0.00 H new ATOM 0 HB VAL A 26 7.927 4.251 0.553 1.00 0.00 H new ATOM 0 HG11 VAL A 26 9.884 2.766 0.706 1.00 0.00 H new ATOM 0 HG12 VAL A 26 10.360 4.477 0.595 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.425 3.635 2.161 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.757 2.131 1.791 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.212 2.974 3.291 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.686 3.379 2.470 1.00 0.00 H new ATOM 354 N ARG A 27 6.318 6.267 1.283 1.00 0.00 N ATOM 355 CA ARG A 27 4.928 6.706 1.302 1.00 0.00 C ATOM 356 C ARG A 27 4.094 5.912 0.301 1.00 0.00 C ATOM 357 O ARG A 27 4.474 5.763 -0.861 1.00 0.00 O ATOM 358 CB ARG A 27 4.838 8.200 0.986 1.00 0.00 C ATOM 359 CG ARG A 27 3.424 8.752 1.053 1.00 0.00 C ATOM 360 CD ARG A 27 3.386 10.232 0.705 1.00 0.00 C ATOM 361 NE ARG A 27 3.738 10.475 -0.692 1.00 0.00 N ATOM 362 CZ ARG A 27 2.867 10.406 -1.692 1.00 0.00 C ATOM 363 NH1 ARG A 27 1.598 10.104 -1.451 1.00 0.00 N ATOM 364 NH2 ARG A 27 3.263 10.641 -2.936 1.00 0.00 N ATOM 0 H ARG A 27 6.738 6.235 0.354 1.00 0.00 H new ATOM 0 HA ARG A 27 4.531 6.529 2.301 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.467 8.749 1.686 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.241 8.377 -0.011 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.784 8.199 0.366 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.021 8.602 2.055 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.388 10.625 0.901 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.075 10.774 1.352 1.00 0.00 H new ATOM 0 HE ARG A 27 4.706 10.711 -0.911 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.289 9.924 -0.496 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.931 10.052 -2.221 1.00 0.00 H new ATOM 0 HH21 ARG A 27 4.238 10.875 -3.125 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.593 10.588 -3.703 1.00 0.00 H new ATOM 378 N PHE A 28 2.955 5.403 0.759 1.00 0.00 N ATOM 379 CA PHE A 28 2.067 4.623 -0.095 1.00 0.00 C ATOM 380 C PHE A 28 0.607 4.981 0.167 1.00 0.00 C ATOM 381 O PHE A 28 0.057 4.661 1.220 1.00 0.00 O ATOM 382 CB PHE A 28 2.287 3.127 0.137 1.00 0.00 C ATOM 383 CG PHE A 28 3.629 2.638 -0.327 1.00 0.00 C ATOM 384 CD1 PHE A 28 4.037 2.832 -1.637 1.00 0.00 C ATOM 385 CD2 PHE A 28 4.484 1.985 0.546 1.00 0.00 C ATOM 386 CE1 PHE A 28 5.272 2.385 -2.068 1.00 0.00 C ATOM 387 CE2 PHE A 28 5.720 1.536 0.122 1.00 0.00 C ATOM 388 CZ PHE A 28 6.114 1.735 -1.187 1.00 0.00 C ATOM 0 H PHE A 28 2.625 5.517 1.717 1.00 0.00 H new ATOM 0 HA PHE A 28 2.300 4.861 -1.133 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.179 2.913 1.200 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.507 2.569 -0.381 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.382 3.339 -2.330 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.181 1.825 1.570 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.578 2.544 -3.092 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.378 1.030 0.813 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.079 1.383 -1.521 1.00 0.00 H new ATOM 398 N VAL A 29 -0.014 5.648 -0.800 1.00 0.00 N ATOM 399 CA VAL A 29 -1.411 6.050 -0.676 1.00 0.00 C ATOM 400 C VAL A 29 -2.221 5.601 -1.887 1.00 0.00 C ATOM 401 O VAL A 29 -1.812 5.801 -3.030 1.00 0.00 O ATOM 402 CB VAL A 29 -1.543 7.577 -0.520 1.00 0.00 C ATOM 403 CG1 VAL A 29 -0.697 8.295 -1.560 1.00 0.00 C ATOM 404 CG2 VAL A 29 -3.002 7.997 -0.624 1.00 0.00 C ATOM 0 H VAL A 29 0.427 5.922 -1.678 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.803 5.566 0.219 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.177 7.858 0.467 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.803 9.373 -1.434 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.349 8.016 -1.434 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.030 8.012 -2.558 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.078 9.079 -0.512 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.396 7.705 -1.597 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.578 7.509 0.162 1.00 0.00 H new ATOM 414 N VAL A 30 -3.375 4.994 -1.627 1.00 0.00 N ATOM 415 CA VAL A 30 -4.245 4.517 -2.696 1.00 0.00 C ATOM 416 C VAL A 30 -5.683 4.973 -2.477 1.00 0.00 C ATOM 417 O VAL A 30 -6.112 5.184 -1.343 1.00 0.00 O ATOM 418 CB VAL A 30 -4.215 2.981 -2.801 1.00 0.00 C ATOM 419 CG1 VAL A 30 -2.807 2.494 -3.108 1.00 0.00 C ATOM 420 CG2 VAL A 30 -4.739 2.349 -1.520 1.00 0.00 C ATOM 0 H VAL A 30 -3.729 4.821 -0.686 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.869 4.944 -3.626 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.866 2.678 -3.621 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.806 1.406 -3.178 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.473 2.919 -4.054 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.132 2.807 -2.311 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.711 1.263 -1.612 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.116 2.658 -0.681 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.766 2.672 -1.349 1.00 0.00 H new ATOM 430 N GLU A 31 -6.424 5.122 -3.571 1.00 0.00 N ATOM 431 CA GLU A 31 -7.815 5.554 -3.498 1.00 0.00 C ATOM 432 C GLU A 31 -8.760 4.404 -3.835 1.00 0.00 C ATOM 433 O GLU A 31 -8.365 3.428 -4.475 1.00 0.00 O ATOM 434 CB GLU A 31 -8.060 6.725 -4.450 1.00 0.00 C ATOM 435 CG GLU A 31 -7.800 8.085 -3.823 1.00 0.00 C ATOM 436 CD GLU A 31 -7.555 9.167 -4.856 1.00 0.00 C ATOM 437 OE1 GLU A 31 -8.392 9.312 -5.772 1.00 0.00 O ATOM 438 OE2 GLU A 31 -6.528 9.869 -4.750 1.00 0.00 O ATOM 0 H GLU A 31 -6.085 4.950 -4.517 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.014 5.878 -2.477 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.421 6.610 -5.326 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.091 6.687 -4.801 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.653 8.365 -3.205 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.936 8.017 -3.162 1.00 0.00 H new ATOM 445 N LEU A 32 -10.009 4.525 -3.400 1.00 0.00 N ATOM 446 CA LEU A 32 -11.011 3.496 -3.655 1.00 0.00 C ATOM 447 C LEU A 32 -12.294 4.110 -4.205 1.00 0.00 C ATOM 448 O LEU A 32 -12.879 5.003 -3.593 1.00 0.00 O ATOM 449 CB LEU A 32 -11.313 2.721 -2.371 1.00 0.00 C ATOM 450 CG LEU A 32 -10.099 2.270 -1.558 1.00 0.00 C ATOM 451 CD1 LEU A 32 -10.442 2.204 -0.078 1.00 0.00 C ATOM 452 CD2 LEU A 32 -9.597 0.921 -2.052 1.00 0.00 C ATOM 0 H LEU A 32 -10.352 5.325 -2.869 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.610 2.810 -4.401 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.941 3.344 -1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.898 1.839 -2.632 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.303 3.003 -1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.566 1.881 0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.752 3.190 0.268 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.254 1.493 0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.733 0.616 -1.462 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.388 0.178 -1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.310 1.001 -3.101 1.00 0.00 H new ATOM 464 N ALA A 33 -12.728 3.623 -5.363 1.00 0.00 N ATOM 465 CA ALA A 33 -13.944 4.121 -5.994 1.00 0.00 C ATOM 466 C ALA A 33 -15.096 4.177 -4.996 1.00 0.00 C ATOM 467 O ALA A 33 -15.988 5.018 -5.110 1.00 0.00 O ATOM 468 CB ALA A 33 -14.316 3.250 -7.184 1.00 0.00 C ATOM 0 H ALA A 33 -12.255 2.884 -5.883 1.00 0.00 H new ATOM 0 HA ALA A 33 -13.753 5.135 -6.346 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -15.226 3.634 -7.645 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -13.506 3.264 -7.913 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -14.483 2.227 -6.848 1.00 0.00 H new ATOM 474 N ASP A 34 -15.072 3.276 -4.020 1.00 0.00 N ATOM 475 CA ASP A 34 -16.114 3.224 -3.002 1.00 0.00 C ATOM 476 C ASP A 34 -15.536 2.812 -1.652 1.00 0.00 C ATOM 477 O ASP A 34 -14.660 1.951 -1.561 1.00 0.00 O ATOM 478 CB ASP A 34 -17.214 2.246 -3.419 1.00 0.00 C ATOM 479 CG ASP A 34 -18.569 2.624 -2.853 1.00 0.00 C ATOM 480 OD1 ASP A 34 -19.095 3.690 -3.235 1.00 0.00 O ATOM 481 OD2 ASP A 34 -19.103 1.854 -2.027 1.00 0.00 O ATOM 0 H ASP A 34 -14.342 2.572 -3.913 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.542 4.222 -2.904 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -17.274 2.213 -4.507 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -16.950 1.243 -3.084 1.00 0.00 H new ATOM 486 N PRO A 35 -16.034 3.441 -0.578 1.00 0.00 N ATOM 487 CA PRO A 35 -15.580 3.157 0.787 1.00 0.00 C ATOM 488 C PRO A 35 -16.019 1.778 1.269 1.00 0.00 C ATOM 489 O PRO A 35 -15.471 1.242 2.232 1.00 0.00 O ATOM 490 CB PRO A 35 -16.251 4.253 1.619 1.00 0.00 C ATOM 491 CG PRO A 35 -17.457 4.640 0.834 1.00 0.00 C ATOM 492 CD PRO A 35 -17.079 4.478 -0.612 1.00 0.00 C ATOM 0 HA PRO A 35 -14.493 3.151 0.862 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -16.524 3.887 2.609 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -15.584 5.103 1.765 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -18.308 4.008 1.088 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -17.749 5.668 1.048 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -17.931 4.170 -1.218 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -16.706 5.410 -1.037 1.00 0.00 H new ATOM 500 N LYS A 36 -17.011 1.209 0.593 1.00 0.00 N ATOM 501 CA LYS A 36 -17.524 -0.109 0.950 1.00 0.00 C ATOM 502 C LYS A 36 -16.448 -1.176 0.775 1.00 0.00 C ATOM 503 O LYS A 36 -16.325 -2.088 1.595 1.00 0.00 O ATOM 504 CB LYS A 36 -18.744 -0.454 0.093 1.00 0.00 C ATOM 505 CG LYS A 36 -19.984 0.348 0.449 1.00 0.00 C ATOM 506 CD LYS A 36 -21.255 -0.388 0.059 1.00 0.00 C ATOM 507 CE LYS A 36 -22.449 0.553 0.006 1.00 0.00 C ATOM 508 NZ LYS A 36 -23.037 0.779 1.355 1.00 0.00 N ATOM 0 H LYS A 36 -17.476 1.640 -0.206 1.00 0.00 H new ATOM 0 HA LYS A 36 -17.820 -0.085 1.999 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -18.500 -0.284 -0.956 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -18.965 -1.516 0.201 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -19.993 0.549 1.520 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -19.952 1.313 -0.056 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -21.119 -0.861 -0.914 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -21.450 -1.185 0.776 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -22.140 1.508 -0.420 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -23.209 0.139 -0.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -23.848 1.425 1.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -23.355 -0.128 1.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -22.320 1.198 1.981 1.00 0.00 H new ATOM 522 N LEU A 37 -15.671 -1.057 -0.296 1.00 0.00 N ATOM 523 CA LEU A 37 -14.604 -2.012 -0.577 1.00 0.00 C ATOM 524 C LEU A 37 -13.538 -1.973 0.513 1.00 0.00 C ATOM 525 O LEU A 37 -13.377 -0.966 1.202 1.00 0.00 O ATOM 526 CB LEU A 37 -13.971 -1.712 -1.937 1.00 0.00 C ATOM 527 CG LEU A 37 -14.829 -2.032 -3.162 1.00 0.00 C ATOM 528 CD1 LEU A 37 -14.160 -1.523 -4.429 1.00 0.00 C ATOM 529 CD2 LEU A 37 -15.085 -3.529 -3.257 1.00 0.00 C ATOM 0 H LEU A 37 -15.760 -0.309 -0.984 1.00 0.00 H new ATOM 0 HA LEU A 37 -15.039 -3.011 -0.598 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.709 -0.654 -1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.040 -2.273 -2.014 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.788 -1.526 -3.053 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -14.785 -1.760 -5.290 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.028 -0.443 -4.362 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.187 -2.001 -4.544 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -15.697 -3.739 -4.134 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -14.135 -4.056 -3.343 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.607 -3.866 -2.362 1.00 0.00 H new ATOM 541 N GLU A 38 -12.811 -3.076 0.662 1.00 0.00 N ATOM 542 CA GLU A 38 -11.759 -3.167 1.667 1.00 0.00 C ATOM 543 C GLU A 38 -10.382 -3.219 1.011 1.00 0.00 C ATOM 544 O GLU A 38 -10.241 -3.662 -0.128 1.00 0.00 O ATOM 545 CB GLU A 38 -11.965 -4.405 2.543 1.00 0.00 C ATOM 546 CG GLU A 38 -11.144 -4.389 3.822 1.00 0.00 C ATOM 547 CD GLU A 38 -11.355 -5.631 4.665 1.00 0.00 C ATOM 548 OE1 GLU A 38 -12.525 -5.979 4.928 1.00 0.00 O ATOM 549 OE2 GLU A 38 -10.349 -6.256 5.063 1.00 0.00 O ATOM 0 H GLU A 38 -12.931 -3.918 0.100 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.812 -2.275 2.292 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -13.021 -4.486 2.800 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.708 -5.294 1.967 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.087 -4.300 3.570 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.407 -3.508 4.407 1.00 0.00 H new ATOM 556 N VAL A 39 -9.369 -2.761 1.739 1.00 0.00 N ATOM 557 CA VAL A 39 -8.003 -2.755 1.229 1.00 0.00 C ATOM 558 C VAL A 39 -7.106 -3.674 2.050 1.00 0.00 C ATOM 559 O VAL A 39 -7.287 -3.820 3.260 1.00 0.00 O ATOM 560 CB VAL A 39 -7.407 -1.334 1.237 1.00 0.00 C ATOM 561 CG1 VAL A 39 -8.207 -0.415 0.326 1.00 0.00 C ATOM 562 CG2 VAL A 39 -7.359 -0.784 2.654 1.00 0.00 C ATOM 0 H VAL A 39 -9.468 -2.389 2.684 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.047 -3.117 0.202 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.386 -1.384 0.857 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.772 0.584 0.344 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.184 -0.802 -0.693 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.239 -0.367 0.673 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.935 0.220 2.640 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.368 -0.747 3.064 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.739 -1.431 3.275 1.00 0.00 H new ATOM 572 N LYS A 40 -6.136 -4.294 1.386 1.00 0.00 N ATOM 573 CA LYS A 40 -5.208 -5.199 2.053 1.00 0.00 C ATOM 574 C LYS A 40 -3.796 -5.035 1.499 1.00 0.00 C ATOM 575 O LYS A 40 -3.571 -5.175 0.297 1.00 0.00 O ATOM 576 CB LYS A 40 -5.668 -6.649 1.886 1.00 0.00 C ATOM 577 CG LYS A 40 -6.961 -6.964 2.617 1.00 0.00 C ATOM 578 CD LYS A 40 -7.569 -8.272 2.137 1.00 0.00 C ATOM 579 CE LYS A 40 -8.712 -8.718 3.035 1.00 0.00 C ATOM 580 NZ LYS A 40 -10.012 -8.127 2.614 1.00 0.00 N ATOM 0 H LYS A 40 -5.972 -4.186 0.385 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.195 -4.949 3.114 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.800 -6.860 0.825 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.884 -7.314 2.248 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.769 -7.022 3.688 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.673 -6.153 2.464 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.932 -8.153 1.116 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.801 -9.045 2.114 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.785 -9.805 3.017 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.499 -8.430 4.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.765 -8.456 3.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.951 -7.090 2.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.229 -8.422 1.641 1.00 0.00 H new ATOM 594 N TRP A 41 -2.849 -4.741 2.382 1.00 0.00 N ATOM 595 CA TRP A 41 -1.459 -4.560 1.981 1.00 0.00 C ATOM 596 C TRP A 41 -0.660 -5.841 2.194 1.00 0.00 C ATOM 597 O TRP A 41 -0.765 -6.483 3.239 1.00 0.00 O ATOM 598 CB TRP A 41 -0.824 -3.412 2.768 1.00 0.00 C ATOM 599 CG TRP A 41 -1.491 -2.091 2.531 1.00 0.00 C ATOM 600 CD1 TRP A 41 -2.688 -1.674 3.039 1.00 0.00 C ATOM 601 CD2 TRP A 41 -0.998 -1.015 1.725 1.00 0.00 C ATOM 602 NE1 TRP A 41 -2.969 -0.404 2.597 1.00 0.00 N ATOM 603 CE2 TRP A 41 -1.948 0.023 1.791 1.00 0.00 C ATOM 604 CE3 TRP A 41 0.154 -0.826 0.957 1.00 0.00 C ATOM 605 CZ2 TRP A 41 -1.780 1.230 1.116 1.00 0.00 C ATOM 606 CZ3 TRP A 41 0.319 0.371 0.287 1.00 0.00 C ATOM 607 CH2 TRP A 41 -0.643 1.387 0.371 1.00 0.00 C ATOM 0 H TRP A 41 -3.018 -4.623 3.381 1.00 0.00 H new ATOM 0 HA TRP A 41 -1.443 -4.315 0.919 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -0.863 -3.645 3.832 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.229 -3.333 2.497 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.321 -2.257 3.692 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -3.803 0.134 2.831 1.00 0.00 H new ATOM 0 HE3 TRP A 41 0.902 -1.602 0.888 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -2.521 2.014 1.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 1.204 0.527 -0.312 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -0.484 2.312 -0.163 1.00 0.00 H new ATOM 618 N TYR A 42 0.138 -6.208 1.198 1.00 0.00 N ATOM 619 CA TYR A 42 0.954 -7.415 1.276 1.00 0.00 C ATOM 620 C TYR A 42 2.393 -7.128 0.858 1.00 0.00 C ATOM 621 O TYR A 42 2.652 -6.234 0.052 1.00 0.00 O ATOM 622 CB TYR A 42 0.363 -8.513 0.391 1.00 0.00 C ATOM 623 CG TYR A 42 -0.996 -8.993 0.847 1.00 0.00 C ATOM 624 CD1 TYR A 42 -2.158 -8.358 0.425 1.00 0.00 C ATOM 625 CD2 TYR A 42 -1.119 -10.083 1.700 1.00 0.00 C ATOM 626 CE1 TYR A 42 -3.401 -8.793 0.840 1.00 0.00 C ATOM 627 CE2 TYR A 42 -2.359 -10.526 2.119 1.00 0.00 C ATOM 628 CZ TYR A 42 -3.497 -9.877 1.687 1.00 0.00 C ATOM 629 OH TYR A 42 -4.734 -10.314 2.102 1.00 0.00 O ATOM 0 H TYR A 42 0.238 -5.687 0.327 1.00 0.00 H new ATOM 0 HA TYR A 42 0.957 -7.755 2.312 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.284 -8.141 -0.630 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.049 -9.359 0.370 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -2.087 -7.509 -0.239 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.230 -10.593 2.041 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -4.294 -8.287 0.503 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -2.437 -11.376 2.781 1.00 0.00 H new ATOM 0 HH TYR A 42 -4.626 -11.087 2.694 1.00 0.00 H new ATOM 639 N LYS A 43 3.326 -7.894 1.412 1.00 0.00 N ATOM 640 CA LYS A 43 4.740 -7.726 1.097 1.00 0.00 C ATOM 641 C LYS A 43 5.393 -9.071 0.794 1.00 0.00 C ATOM 642 O LYS A 43 5.601 -9.886 1.691 1.00 0.00 O ATOM 643 CB LYS A 43 5.465 -7.045 2.260 1.00 0.00 C ATOM 644 CG LYS A 43 6.957 -6.875 2.030 1.00 0.00 C ATOM 645 CD LYS A 43 7.685 -6.535 3.320 1.00 0.00 C ATOM 646 CE LYS A 43 9.193 -6.630 3.151 1.00 0.00 C ATOM 647 NZ LYS A 43 9.915 -5.749 4.111 1.00 0.00 N ATOM 0 H LYS A 43 3.129 -8.638 2.082 1.00 0.00 H new ATOM 0 HA LYS A 43 4.817 -7.097 0.210 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.018 -6.066 2.432 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.310 -7.630 3.167 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.368 -7.793 1.610 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.126 -6.086 1.297 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.416 -5.527 3.636 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.363 -7.213 4.110 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.510 -7.663 3.296 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.462 -6.354 2.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.934 -5.953 4.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.751 -4.753 3.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.565 -5.925 5.074 1.00 0.00 H new ATOM 661 N ASN A 44 5.716 -9.294 -0.476 1.00 0.00 N ATOM 662 CA ASN A 44 6.347 -10.539 -0.897 1.00 0.00 C ATOM 663 C ASN A 44 5.439 -11.732 -0.613 1.00 0.00 C ATOM 664 O ASN A 44 5.895 -12.777 -0.152 1.00 0.00 O ATOM 665 CB ASN A 44 7.687 -10.724 -0.182 1.00 0.00 C ATOM 666 CG ASN A 44 8.811 -9.959 -0.854 1.00 0.00 C ATOM 667 OD1 ASN A 44 8.611 -9.321 -1.887 1.00 0.00 O ATOM 668 ND2 ASN A 44 10.001 -10.021 -0.268 1.00 0.00 N ATOM 0 H ASN A 44 5.551 -8.628 -1.231 1.00 0.00 H new ATOM 0 HA ASN A 44 6.520 -10.483 -1.972 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.593 -10.392 0.852 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.938 -11.784 -0.155 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.796 -9.527 -0.674 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.120 -10.563 0.588 1.00 0.00 H new ATOM 675 N GLY A 45 4.149 -11.567 -0.894 1.00 0.00 N ATOM 676 CA GLY A 45 3.197 -12.638 -0.664 1.00 0.00 C ATOM 677 C GLY A 45 2.950 -12.886 0.811 1.00 0.00 C ATOM 678 O GLY A 45 2.765 -14.028 1.232 1.00 0.00 O ATOM 0 H GLY A 45 3.747 -10.711 -1.277 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.253 -12.392 -1.151 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.566 -13.553 -1.127 1.00 0.00 H new ATOM 682 N GLN A 46 2.947 -11.815 1.598 1.00 0.00 N ATOM 683 CA GLN A 46 2.723 -11.923 3.034 1.00 0.00 C ATOM 684 C GLN A 46 1.870 -10.765 3.541 1.00 0.00 C ATOM 685 O GLN A 46 2.091 -9.612 3.174 1.00 0.00 O ATOM 686 CB GLN A 46 4.058 -11.952 3.780 1.00 0.00 C ATOM 687 CG GLN A 46 3.913 -11.896 5.292 1.00 0.00 C ATOM 688 CD GLN A 46 5.066 -12.564 6.014 1.00 0.00 C ATOM 689 OE1 GLN A 46 5.849 -13.299 5.412 1.00 0.00 O ATOM 690 NE2 GLN A 46 5.177 -12.312 7.313 1.00 0.00 N ATOM 0 H GLN A 46 3.097 -10.863 1.265 1.00 0.00 H new ATOM 0 HA GLN A 46 2.189 -12.854 3.223 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.596 -12.860 3.509 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.667 -11.110 3.451 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.845 -10.855 5.608 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.980 -12.378 5.582 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.506 -11.696 7.772 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.934 -12.734 7.852 1.00 0.00 H new ATOM 699 N GLU A 47 0.894 -11.081 4.386 1.00 0.00 N ATOM 700 CA GLU A 47 0.007 -10.066 4.942 1.00 0.00 C ATOM 701 C GLU A 47 0.763 -9.147 5.897 1.00 0.00 C ATOM 702 O GLU A 47 1.450 -9.610 6.807 1.00 0.00 O ATOM 703 CB GLU A 47 -1.165 -10.725 5.672 1.00 0.00 C ATOM 704 CG GLU A 47 -2.332 -9.784 5.925 1.00 0.00 C ATOM 705 CD GLU A 47 -3.581 -10.514 6.379 1.00 0.00 C ATOM 706 OE1 GLU A 47 -3.958 -11.509 5.726 1.00 0.00 O ATOM 707 OE2 GLU A 47 -4.182 -10.088 7.388 1.00 0.00 O ATOM 0 H GLU A 47 0.698 -12.031 4.700 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.379 -9.467 4.117 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.515 -11.575 5.086 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.813 -11.118 6.626 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.047 -9.053 6.682 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.551 -9.229 5.013 1.00 0.00 H new ATOM 714 N ILE A 48 0.630 -7.842 5.682 1.00 0.00 N ATOM 715 CA ILE A 48 1.300 -6.858 6.523 1.00 0.00 C ATOM 716 C ILE A 48 0.443 -6.492 7.730 1.00 0.00 C ATOM 717 O ILE A 48 -0.758 -6.249 7.601 1.00 0.00 O ATOM 718 CB ILE A 48 1.631 -5.577 5.735 1.00 0.00 C ATOM 719 CG1 ILE A 48 2.499 -5.909 4.520 1.00 0.00 C ATOM 720 CG2 ILE A 48 2.333 -4.569 6.634 1.00 0.00 C ATOM 721 CD1 ILE A 48 2.448 -4.856 3.435 1.00 0.00 C ATOM 0 H ILE A 48 0.065 -7.442 4.933 1.00 0.00 H new ATOM 0 HA ILE A 48 2.229 -7.315 6.865 1.00 0.00 H new ATOM 0 HB ILE A 48 0.699 -5.134 5.382 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.532 -6.035 4.845 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.177 -6.864 4.104 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.561 -3.669 6.063 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.683 -4.313 7.471 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.259 -5.002 7.013 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.087 -5.158 2.605 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.422 -4.746 3.082 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.798 -3.904 3.835 1.00 0.00 H new ATOM 733 N ARG A 49 1.067 -6.452 8.902 1.00 0.00 N ATOM 734 CA ARG A 49 0.362 -6.114 10.133 1.00 0.00 C ATOM 735 C ARG A 49 0.681 -4.687 10.569 1.00 0.00 C ATOM 736 O ARG A 49 1.794 -4.191 10.389 1.00 0.00 O ATOM 737 CB ARG A 49 0.736 -7.095 11.246 1.00 0.00 C ATOM 738 CG ARG A 49 2.186 -6.990 11.688 1.00 0.00 C ATOM 739 CD ARG A 49 2.375 -7.500 13.107 1.00 0.00 C ATOM 740 NE ARG A 49 1.971 -6.510 14.103 1.00 0.00 N ATOM 741 CZ ARG A 49 1.743 -6.802 15.379 1.00 0.00 C ATOM 742 NH1 ARG A 49 1.878 -8.048 15.812 1.00 0.00 N ATOM 743 NH2 ARG A 49 1.378 -5.846 16.224 1.00 0.00 N ATOM 0 H ARG A 49 2.060 -6.650 9.026 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.708 -6.185 9.940 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.089 -6.920 12.106 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.542 -8.111 10.903 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.817 -7.562 11.008 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.512 -5.952 11.627 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.793 -8.411 13.245 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.421 -7.763 13.261 1.00 0.00 H new ATOM 0 HE ARG A 49 1.858 -5.542 13.802 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.158 -8.785 15.165 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.702 -8.269 16.792 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.272 -4.887 15.894 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.203 -6.071 17.203 1.00 0.00 H new ATOM 757 N PRO A 50 -0.317 -4.010 11.155 1.00 0.00 N ATOM 758 CA PRO A 50 -0.167 -2.631 11.628 1.00 0.00 C ATOM 759 C PRO A 50 0.746 -2.532 12.846 1.00 0.00 C ATOM 760 O PRO A 50 0.436 -3.067 13.910 1.00 0.00 O ATOM 761 CB PRO A 50 -1.596 -2.224 11.997 1.00 0.00 C ATOM 762 CG PRO A 50 -2.287 -3.508 12.305 1.00 0.00 C ATOM 763 CD PRO A 50 -1.670 -4.538 11.401 1.00 0.00 C ATOM 0 HA PRO A 50 0.292 -1.990 10.875 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.607 -1.552 12.855 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -2.083 -1.699 11.175 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -2.156 -3.780 13.352 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.359 -3.426 12.128 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -1.638 -5.520 11.873 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.233 -4.648 10.474 1.00 0.00 H new ATOM 771 N SER A 51 1.871 -1.844 12.681 1.00 0.00 N ATOM 772 CA SER A 51 2.831 -1.679 13.767 1.00 0.00 C ATOM 773 C SER A 51 3.631 -0.391 13.593 1.00 0.00 C ATOM 774 O SER A 51 3.676 0.185 12.505 1.00 0.00 O ATOM 775 CB SER A 51 3.780 -2.877 13.824 1.00 0.00 C ATOM 776 OG SER A 51 4.322 -3.037 15.124 1.00 0.00 O ATOM 0 H SER A 51 2.140 -1.392 11.807 1.00 0.00 H new ATOM 0 HA SER A 51 2.276 -1.619 14.703 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.246 -3.782 13.535 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.587 -2.740 13.104 1.00 0.00 H new ATOM 0 HG SER A 51 4.924 -3.810 15.135 1.00 0.00 H new ATOM 782 N THR A 52 4.261 0.057 14.674 1.00 0.00 N ATOM 783 CA THR A 52 5.058 1.277 14.643 1.00 0.00 C ATOM 784 C THR A 52 5.769 1.436 13.304 1.00 0.00 C ATOM 785 O THR A 52 5.982 2.552 12.831 1.00 0.00 O ATOM 786 CB THR A 52 6.106 1.292 15.772 1.00 0.00 C ATOM 787 OG1 THR A 52 6.932 0.126 15.689 1.00 0.00 O ATOM 788 CG2 THR A 52 5.432 1.347 17.135 1.00 0.00 C ATOM 0 H THR A 52 4.235 -0.407 15.582 1.00 0.00 H new ATOM 0 HA THR A 52 4.368 2.109 14.786 1.00 0.00 H new ATOM 0 HB THR A 52 6.723 2.183 15.653 1.00 0.00 H new ATOM 0 HG1 THR A 52 7.597 0.144 16.409 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.192 1.357 17.916 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.827 2.251 17.206 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.793 0.473 17.261 1.00 0.00 H new ATOM 796 N LYS A 53 6.134 0.312 12.696 1.00 0.00 N ATOM 797 CA LYS A 53 6.819 0.326 11.409 1.00 0.00 C ATOM 798 C LYS A 53 5.861 0.710 10.286 1.00 0.00 C ATOM 799 O LYS A 53 6.177 1.556 9.450 1.00 0.00 O ATOM 800 CB LYS A 53 7.434 -1.046 11.121 1.00 0.00 C ATOM 801 CG LYS A 53 8.294 -1.076 9.869 1.00 0.00 C ATOM 802 CD LYS A 53 9.117 -2.351 9.789 1.00 0.00 C ATOM 803 CE LYS A 53 9.680 -2.564 8.392 1.00 0.00 C ATOM 804 NZ LYS A 53 10.600 -3.734 8.337 1.00 0.00 N ATOM 0 H LYS A 53 5.967 -0.620 13.074 1.00 0.00 H new ATOM 0 HA LYS A 53 7.613 1.072 11.457 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.039 -1.350 11.975 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.634 -1.780 11.020 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.658 -0.996 8.987 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.958 -0.212 9.862 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.934 -2.303 10.509 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.497 -3.204 10.067 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.860 -2.713 7.689 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.213 -1.668 8.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.962 -3.845 7.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.396 -3.581 8.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.085 -4.594 8.615 1.00 0.00 H new ATOM 818 N TYR A 54 4.689 0.085 10.275 1.00 0.00 N ATOM 819 CA TYR A 54 3.685 0.362 9.254 1.00 0.00 C ATOM 820 C TYR A 54 2.587 1.269 9.802 1.00 0.00 C ATOM 821 O TYR A 54 1.860 0.896 10.723 1.00 0.00 O ATOM 822 CB TYR A 54 3.075 -0.944 8.742 1.00 0.00 C ATOM 823 CG TYR A 54 4.072 -1.851 8.058 1.00 0.00 C ATOM 824 CD1 TYR A 54 4.390 -1.679 6.716 1.00 0.00 C ATOM 825 CD2 TYR A 54 4.696 -2.880 8.752 1.00 0.00 C ATOM 826 CE1 TYR A 54 5.300 -2.505 6.086 1.00 0.00 C ATOM 827 CE2 TYR A 54 5.608 -3.710 8.130 1.00 0.00 C ATOM 828 CZ TYR A 54 5.907 -3.519 6.797 1.00 0.00 C ATOM 829 OH TYR A 54 6.814 -4.345 6.174 1.00 0.00 O ATOM 0 H TYR A 54 4.411 -0.617 10.961 1.00 0.00 H new ATOM 0 HA TYR A 54 4.176 0.875 8.427 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.626 -1.478 9.579 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.271 -0.711 8.044 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.917 -0.886 6.156 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.464 -3.034 9.796 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.535 -2.358 5.042 1.00 0.00 H new ATOM 0 HE2 TYR A 54 6.085 -4.505 8.685 1.00 0.00 H new ATOM 0 HH TYR A 54 7.150 -5.005 6.816 1.00 0.00 H new ATOM 839 N ILE A 55 2.473 2.462 9.227 1.00 0.00 N ATOM 840 CA ILE A 55 1.463 3.422 9.655 1.00 0.00 C ATOM 841 C ILE A 55 0.241 3.378 8.744 1.00 0.00 C ATOM 842 O ILE A 55 0.261 3.913 7.635 1.00 0.00 O ATOM 843 CB ILE A 55 2.024 4.857 9.675 1.00 0.00 C ATOM 844 CG1 ILE A 55 3.433 4.869 10.270 1.00 0.00 C ATOM 845 CG2 ILE A 55 1.102 5.774 10.464 1.00 0.00 C ATOM 846 CD1 ILE A 55 3.454 4.735 11.777 1.00 0.00 C ATOM 0 H ILE A 55 3.067 2.786 8.464 1.00 0.00 H new ATOM 0 HA ILE A 55 1.169 3.141 10.666 1.00 0.00 H new ATOM 0 HB ILE A 55 2.080 5.224 8.650 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.010 4.054 9.833 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.929 5.798 9.989 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.511 6.784 10.469 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.116 5.785 10.000 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.018 5.411 11.488 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.485 4.751 12.129 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.905 5.564 12.224 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.987 3.793 12.065 1.00 0.00 H new ATOM 858 N PHE A 56 -0.822 2.738 9.220 1.00 0.00 N ATOM 859 CA PHE A 56 -2.054 2.625 8.449 1.00 0.00 C ATOM 860 C PHE A 56 -3.002 3.778 8.766 1.00 0.00 C ATOM 861 O PHE A 56 -3.470 3.917 9.895 1.00 0.00 O ATOM 862 CB PHE A 56 -2.742 1.290 8.740 1.00 0.00 C ATOM 863 CG PHE A 56 -2.041 0.109 8.132 1.00 0.00 C ATOM 864 CD1 PHE A 56 -2.360 -0.320 6.854 1.00 0.00 C ATOM 865 CD2 PHE A 56 -1.062 -0.572 8.838 1.00 0.00 C ATOM 866 CE1 PHE A 56 -1.717 -1.407 6.292 1.00 0.00 C ATOM 867 CE2 PHE A 56 -0.415 -1.659 8.281 1.00 0.00 C ATOM 868 CZ PHE A 56 -0.743 -2.076 7.006 1.00 0.00 C ATOM 0 H PHE A 56 -0.855 2.290 10.136 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.796 2.670 7.391 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.803 1.150 9.819 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.765 1.328 8.365 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -3.120 0.201 6.290 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.802 -0.250 9.835 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.976 -1.733 5.295 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.346 -2.181 8.842 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.238 -2.924 6.568 1.00 0.00 H new ATOM 878 N GLU A 57 -3.280 4.602 7.760 1.00 0.00 N ATOM 879 CA GLU A 57 -4.170 5.744 7.932 1.00 0.00 C ATOM 880 C GLU A 57 -5.320 5.692 6.930 1.00 0.00 C ATOM 881 O GLU A 57 -5.105 5.725 5.718 1.00 0.00 O ATOM 882 CB GLU A 57 -3.395 7.052 7.768 1.00 0.00 C ATOM 883 CG GLU A 57 -2.511 7.390 8.957 1.00 0.00 C ATOM 884 CD GLU A 57 -3.260 8.126 10.050 1.00 0.00 C ATOM 885 OE1 GLU A 57 -4.496 7.969 10.133 1.00 0.00 O ATOM 886 OE2 GLU A 57 -2.610 8.859 10.824 1.00 0.00 O ATOM 0 H GLU A 57 -2.902 4.500 6.818 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.585 5.701 8.939 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.776 6.988 6.873 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.102 7.866 7.609 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.091 6.471 9.365 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.674 8.001 8.620 1.00 0.00 H new ATOM 893 N HIS A 58 -6.543 5.610 7.446 1.00 0.00 N ATOM 894 CA HIS A 58 -7.728 5.554 6.597 1.00 0.00 C ATOM 895 C HIS A 58 -8.548 6.834 6.724 1.00 0.00 C ATOM 896 O HIS A 58 -8.975 7.205 7.817 1.00 0.00 O ATOM 897 CB HIS A 58 -8.589 4.345 6.967 1.00 0.00 C ATOM 898 CG HIS A 58 -10.001 4.443 6.478 1.00 0.00 C ATOM 899 ND1 HIS A 58 -11.095 4.289 7.303 1.00 0.00 N ATOM 900 CD2 HIS A 58 -10.495 4.684 5.241 1.00 0.00 C ATOM 901 CE1 HIS A 58 -12.201 4.428 6.594 1.00 0.00 C ATOM 902 NE2 HIS A 58 -11.864 4.669 5.340 1.00 0.00 N ATOM 0 H HIS A 58 -6.739 5.581 8.447 1.00 0.00 H new ATOM 0 HA HIS A 58 -7.399 5.455 5.562 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -8.132 3.445 6.556 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -8.596 4.232 8.051 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -9.919 4.856 4.344 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -13.209 4.357 6.975 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -12.516 4.820 4.570 1.00 0.00 H new ATOM 911 N LYS A 59 -8.763 7.506 5.598 1.00 0.00 N ATOM 912 CA LYS A 59 -9.532 8.745 5.581 1.00 0.00 C ATOM 913 C LYS A 59 -10.596 8.710 4.489 1.00 0.00 C ATOM 914 O LYS A 59 -10.327 9.044 3.335 1.00 0.00 O ATOM 915 CB LYS A 59 -8.604 9.942 5.365 1.00 0.00 C ATOM 916 CG LYS A 59 -7.946 10.440 6.641 1.00 0.00 C ATOM 917 CD LYS A 59 -6.905 11.508 6.352 1.00 0.00 C ATOM 918 CE LYS A 59 -5.581 10.893 5.924 1.00 0.00 C ATOM 919 NZ LYS A 59 -4.839 10.315 7.079 1.00 0.00 N ATOM 0 H LYS A 59 -8.415 7.213 4.685 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.029 8.848 6.545 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.829 9.666 4.650 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.174 10.757 4.918 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.706 10.843 7.310 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -7.477 9.604 7.159 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.270 12.171 5.568 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.753 12.120 7.241 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.765 10.114 5.184 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.967 11.653 5.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.927 9.936 6.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.671 11.056 7.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.400 9.549 7.504 1.00 0.00 H new ATOM 933 N GLY A 60 -11.807 8.305 4.861 1.00 0.00 N ATOM 934 CA GLY A 60 -12.893 8.236 3.901 1.00 0.00 C ATOM 935 C GLY A 60 -12.653 7.193 2.827 1.00 0.00 C ATOM 936 O GLY A 60 -12.927 6.010 3.030 1.00 0.00 O ATOM 0 H GLY A 60 -12.055 8.024 5.810 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -13.822 8.008 4.424 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.022 9.212 3.433 1.00 0.00 H new ATOM 940 N CYS A 61 -12.142 7.632 1.683 1.00 0.00 N ATOM 941 CA CYS A 61 -11.867 6.728 0.571 1.00 0.00 C ATOM 942 C CYS A 61 -10.395 6.782 0.177 1.00 0.00 C ATOM 943 O CYS A 61 -10.057 6.727 -1.005 1.00 0.00 O ATOM 944 CB CYS A 61 -12.743 7.084 -0.631 1.00 0.00 C ATOM 945 SG CYS A 61 -14.515 7.107 -0.272 1.00 0.00 S ATOM 0 H CYS A 61 -11.909 8.608 1.500 1.00 0.00 H new ATOM 0 HA CYS A 61 -12.100 5.713 0.894 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.446 8.064 -1.006 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -12.554 6.367 -1.430 1.00 0.00 H new ATOM 0 HG CYS A 61 -15.172 7.420 -1.349 1.00 0.00 H new ATOM 951 N GLN A 62 -9.525 6.893 1.176 1.00 0.00 N ATOM 952 CA GLN A 62 -8.088 6.958 0.932 1.00 0.00 C ATOM 953 C GLN A 62 -7.318 6.218 2.021 1.00 0.00 C ATOM 954 O GLN A 62 -7.475 6.501 3.208 1.00 0.00 O ATOM 955 CB GLN A 62 -7.626 8.414 0.865 1.00 0.00 C ATOM 956 CG GLN A 62 -6.220 8.581 0.312 1.00 0.00 C ATOM 957 CD GLN A 62 -5.714 10.006 0.424 1.00 0.00 C ATOM 958 OE1 GLN A 62 -5.317 10.616 -0.569 1.00 0.00 O ATOM 959 NE2 GLN A 62 -5.726 10.546 1.637 1.00 0.00 N ATOM 0 H GLN A 62 -9.789 6.940 2.160 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.885 6.476 -0.024 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.321 8.979 0.244 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.668 8.846 1.865 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.542 7.916 0.847 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.207 8.276 -0.734 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.064 10.005 2.433 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.398 11.502 1.773 1.00 0.00 H new ATOM 968 N ARG A 63 -6.485 5.268 1.608 1.00 0.00 N ATOM 969 CA ARG A 63 -5.692 4.486 2.548 1.00 0.00 C ATOM 970 C ARG A 63 -4.200 4.727 2.333 1.00 0.00 C ATOM 971 O ARG A 63 -3.667 4.456 1.257 1.00 0.00 O ATOM 972 CB ARG A 63 -6.005 2.996 2.397 1.00 0.00 C ATOM 973 CG ARG A 63 -7.478 2.663 2.568 1.00 0.00 C ATOM 974 CD ARG A 63 -7.938 2.891 3.999 1.00 0.00 C ATOM 975 NE ARG A 63 -7.709 1.720 4.841 1.00 0.00 N ATOM 976 CZ ARG A 63 -6.579 1.501 5.504 1.00 0.00 C ATOM 977 NH1 ARG A 63 -5.581 2.369 5.424 1.00 0.00 N ATOM 978 NH2 ARG A 63 -6.447 0.411 6.250 1.00 0.00 N ATOM 0 H ARG A 63 -6.342 5.022 0.629 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.953 4.805 3.557 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.678 2.663 1.412 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.427 2.436 3.132 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.072 3.277 1.891 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.652 1.623 2.290 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.409 3.747 4.418 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -9.000 3.139 4.003 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.458 1.033 4.925 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.679 3.208 4.852 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.714 2.198 5.934 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -7.213 -0.259 6.314 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.579 0.243 6.759 1.00 0.00 H new ATOM 992 N ILE A 64 -3.535 5.238 3.363 1.00 0.00 N ATOM 993 CA ILE A 64 -2.106 5.516 3.287 1.00 0.00 C ATOM 994 C ILE A 64 -1.305 4.502 4.097 1.00 0.00 C ATOM 995 O ILE A 64 -1.831 3.868 5.013 1.00 0.00 O ATOM 996 CB ILE A 64 -1.780 6.933 3.794 1.00 0.00 C ATOM 997 CG1 ILE A 64 -2.699 7.960 3.130 1.00 0.00 C ATOM 998 CG2 ILE A 64 -0.320 7.269 3.525 1.00 0.00 C ATOM 999 CD1 ILE A 64 -4.035 8.113 3.823 1.00 0.00 C ATOM 0 H ILE A 64 -3.963 5.468 4.260 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.826 5.442 2.236 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.948 6.965 4.870 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.196 8.927 3.111 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.868 7.668 2.094 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.105 8.274 3.889 1.00 0.00 H new ATOM 0 HG22 ILE A 64 0.319 6.552 4.040 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.127 7.222 2.453 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.634 8.857 3.298 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.559 7.157 3.819 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.876 8.435 4.852 1.00 0.00 H new ATOM 1011 N LEU A 65 -0.030 4.354 3.754 1.00 0.00 N ATOM 1012 CA LEU A 65 0.845 3.417 4.451 1.00 0.00 C ATOM 1013 C LEU A 65 2.284 3.925 4.465 1.00 0.00 C ATOM 1014 O LEU A 65 2.839 4.277 3.424 1.00 0.00 O ATOM 1015 CB LEU A 65 0.784 2.041 3.786 1.00 0.00 C ATOM 1016 CG LEU A 65 1.609 0.938 4.451 1.00 0.00 C ATOM 1017 CD1 LEU A 65 3.096 1.223 4.306 1.00 0.00 C ATOM 1018 CD2 LEU A 65 1.231 0.799 5.918 1.00 0.00 C ATOM 0 H LEU A 65 0.421 4.870 2.998 1.00 0.00 H new ATOM 0 HA LEU A 65 0.499 3.331 5.481 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.257 1.720 3.755 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.117 2.144 2.753 1.00 0.00 H new ATOM 0 HG LEU A 65 1.390 -0.005 3.950 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.667 0.428 4.785 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.356 1.270 3.249 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.332 2.176 4.780 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.828 0.010 6.374 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.420 1.741 6.433 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.174 0.547 5.999 1.00 0.00 H new ATOM 1030 N PHE A 66 2.883 3.957 5.651 1.00 0.00 N ATOM 1031 CA PHE A 66 4.258 4.420 5.801 1.00 0.00 C ATOM 1032 C PHE A 66 5.128 3.341 6.438 1.00 0.00 C ATOM 1033 O PHE A 66 4.757 2.747 7.450 1.00 0.00 O ATOM 1034 CB PHE A 66 4.300 5.692 6.649 1.00 0.00 C ATOM 1035 CG PHE A 66 3.614 6.864 6.007 1.00 0.00 C ATOM 1036 CD1 PHE A 66 4.268 7.632 5.057 1.00 0.00 C ATOM 1037 CD2 PHE A 66 2.314 7.197 6.354 1.00 0.00 C ATOM 1038 CE1 PHE A 66 3.639 8.711 4.466 1.00 0.00 C ATOM 1039 CE2 PHE A 66 1.680 8.275 5.765 1.00 0.00 C ATOM 1040 CZ PHE A 66 2.343 9.032 4.819 1.00 0.00 C ATOM 0 H PHE A 66 2.438 3.668 6.522 1.00 0.00 H new ATOM 0 HA PHE A 66 4.652 4.640 4.809 1.00 0.00 H new ATOM 0 HB2 PHE A 66 3.833 5.492 7.613 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.340 5.953 6.846 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.281 7.384 4.775 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.791 6.608 7.093 1.00 0.00 H new ATOM 0 HE1 PHE A 66 4.161 9.303 3.728 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.667 8.525 6.044 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.849 9.873 4.356 1.00 0.00 H new ATOM 1050 N ILE A 67 6.287 3.093 5.837 1.00 0.00 N ATOM 1051 CA ILE A 67 7.211 2.087 6.345 1.00 0.00 C ATOM 1052 C ILE A 67 8.497 2.728 6.854 1.00 0.00 C ATOM 1053 O ILE A 67 9.251 3.325 6.086 1.00 0.00 O ATOM 1054 CB ILE A 67 7.561 1.047 5.264 1.00 0.00 C ATOM 1055 CG1 ILE A 67 6.287 0.406 4.710 1.00 0.00 C ATOM 1056 CG2 ILE A 67 8.491 -0.015 5.832 1.00 0.00 C ATOM 1057 CD1 ILE A 67 6.523 -0.442 3.480 1.00 0.00 C ATOM 0 H ILE A 67 6.608 3.575 4.998 1.00 0.00 H new ATOM 0 HA ILE A 67 6.707 1.585 7.171 1.00 0.00 H new ATOM 0 HB ILE A 67 8.075 1.553 4.447 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.834 -0.211 5.486 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.570 1.191 4.468 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.729 -0.743 5.056 1.00 0.00 H new ATOM 0 HG22 ILE A 67 9.410 0.456 6.183 1.00 0.00 H new ATOM 0 HG23 ILE A 67 8.001 -0.520 6.665 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.577 -0.865 3.142 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.948 0.175 2.688 1.00 0.00 H new ATOM 0 HD13 ILE A 67 7.215 -1.249 3.722 1.00 0.00 H new ATOM 1069 N ASN A 68 8.743 2.598 8.153 1.00 0.00 N ATOM 1070 CA ASN A 68 9.940 3.165 8.765 1.00 0.00 C ATOM 1071 C ASN A 68 11.109 2.188 8.679 1.00 0.00 C ATOM 1072 O ASN A 68 10.917 0.994 8.452 1.00 0.00 O ATOM 1073 CB ASN A 68 9.669 3.526 10.227 1.00 0.00 C ATOM 1074 CG ASN A 68 8.897 4.823 10.368 1.00 0.00 C ATOM 1075 OD1 ASN A 68 9.483 5.905 10.420 1.00 0.00 O ATOM 1076 ND2 ASN A 68 7.574 4.721 10.431 1.00 0.00 N ATOM 0 H ASN A 68 8.130 2.105 8.803 1.00 0.00 H new ATOM 0 HA ASN A 68 10.204 4.070 8.218 1.00 0.00 H new ATOM 0 HB2 ASN A 68 9.109 2.719 10.700 1.00 0.00 H new ATOM 0 HB3 ASN A 68 10.616 3.610 10.759 1.00 0.00 H new ATOM 0 HD21 ASN A 68 7.002 5.560 10.526 1.00 0.00 H new ATOM 0 HD22 ASN A 68 7.130 3.804 10.384 1.00 0.00 H new ATOM 1083 N ASN A 69 12.319 2.704 8.864 1.00 0.00 N ATOM 1084 CA ASN A 69 13.520 1.878 8.808 1.00 0.00 C ATOM 1085 C ASN A 69 13.624 1.161 7.465 1.00 0.00 C ATOM 1086 O ASN A 69 13.756 -0.062 7.412 1.00 0.00 O ATOM 1087 CB ASN A 69 13.513 0.855 9.946 1.00 0.00 C ATOM 1088 CG ASN A 69 13.975 1.451 11.261 1.00 0.00 C ATOM 1089 OD1 ASN A 69 13.465 2.481 11.702 1.00 0.00 O ATOM 1090 ND2 ASN A 69 14.945 0.803 11.896 1.00 0.00 N ATOM 0 H ASN A 69 12.494 3.691 9.054 1.00 0.00 H new ATOM 0 HA ASN A 69 14.386 2.530 8.920 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.506 0.455 10.065 1.00 0.00 H new ATOM 0 HB3 ASN A 69 14.159 0.018 9.682 1.00 0.00 H new ATOM 0 HD21 ASN A 69 15.296 1.156 12.786 1.00 0.00 H new ATOM 0 HD22 ASN A 69 15.339 -0.047 11.493 1.00 0.00 H new ATOM 1097 N CYS A 70 13.565 1.931 6.384 1.00 0.00 N ATOM 1098 CA CYS A 70 13.653 1.370 5.040 1.00 0.00 C ATOM 1099 C CYS A 70 15.062 0.861 4.755 1.00 0.00 C ATOM 1100 O CYS A 70 15.959 1.639 4.431 1.00 0.00 O ATOM 1101 CB CYS A 70 13.256 2.418 4.000 1.00 0.00 C ATOM 1102 SG CYS A 70 11.621 3.141 4.268 1.00 0.00 S ATOM 0 H CYS A 70 13.457 2.945 6.412 1.00 0.00 H new ATOM 0 HA CYS A 70 12.963 0.529 4.978 1.00 0.00 H new ATOM 0 HB2 CYS A 70 13.999 3.216 4.002 1.00 0.00 H new ATOM 0 HB3 CYS A 70 13.282 1.961 3.011 1.00 0.00 H new ATOM 0 HG CYS A 70 11.157 2.750 5.418 1.00 0.00 H new ATOM 1108 N GLN A 71 15.249 -0.450 4.879 1.00 0.00 N ATOM 1109 CA GLN A 71 16.550 -1.062 4.636 1.00 0.00 C ATOM 1110 C GLN A 71 16.527 -1.904 3.365 1.00 0.00 C ATOM 1111 O GLN A 71 15.464 -2.167 2.803 1.00 0.00 O ATOM 1112 CB GLN A 71 16.960 -1.928 5.828 1.00 0.00 C ATOM 1113 CG GLN A 71 18.464 -2.013 6.029 1.00 0.00 C ATOM 1114 CD GLN A 71 19.137 -0.655 5.986 1.00 0.00 C ATOM 1115 OE1 GLN A 71 19.966 -0.388 5.116 1.00 0.00 O ATOM 1116 NE2 GLN A 71 18.782 0.212 6.927 1.00 0.00 N ATOM 0 H GLN A 71 14.516 -1.108 5.146 1.00 0.00 H new ATOM 0 HA GLN A 71 17.281 -0.263 4.507 1.00 0.00 H new ATOM 0 HB2 GLN A 71 16.503 -1.526 6.732 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.563 -2.934 5.690 1.00 0.00 H new ATOM 0 HG2 GLN A 71 18.672 -2.487 6.988 1.00 0.00 H new ATOM 0 HG3 GLN A 71 18.894 -2.652 5.258 1.00 0.00 H new ATOM 0 HE21 GLN A 71 18.090 -0.052 7.629 1.00 0.00 H new ATOM 0 HE22 GLN A 71 19.201 1.142 6.948 1.00 0.00 H new ATOM 1125 N MET A 72 17.706 -2.323 2.917 1.00 0.00 N ATOM 1126 CA MET A 72 17.820 -3.136 1.712 1.00 0.00 C ATOM 1127 C MET A 72 16.731 -4.203 1.671 1.00 0.00 C ATOM 1128 O MET A 72 15.928 -4.252 0.738 1.00 0.00 O ATOM 1129 CB MET A 72 19.199 -3.795 1.644 1.00 0.00 C ATOM 1130 CG MET A 72 19.609 -4.203 0.238 1.00 0.00 C ATOM 1131 SD MET A 72 20.033 -2.790 -0.799 1.00 0.00 S ATOM 1132 CE MET A 72 18.474 -2.502 -1.633 1.00 0.00 C ATOM 0 H MET A 72 18.595 -2.113 3.370 1.00 0.00 H new ATOM 0 HA MET A 72 17.695 -2.482 0.849 1.00 0.00 H new ATOM 0 HB2 MET A 72 19.942 -3.106 2.045 1.00 0.00 H new ATOM 0 HB3 MET A 72 19.203 -4.676 2.285 1.00 0.00 H new ATOM 0 HG2 MET A 72 20.464 -4.877 0.294 1.00 0.00 H new ATOM 0 HG3 MET A 72 18.795 -4.759 -0.227 1.00 0.00 H new ATOM 0 HE1 MET A 72 18.660 -2.268 -2.681 1.00 0.00 H new ATOM 0 HE2 MET A 72 17.855 -3.396 -1.566 1.00 0.00 H new ATOM 0 HE3 MET A 72 17.957 -1.667 -1.160 1.00 0.00 H new ATOM 1142 N THR A 73 16.709 -5.059 2.689 1.00 0.00 N ATOM 1143 CA THR A 73 15.720 -6.126 2.768 1.00 0.00 C ATOM 1144 C THR A 73 14.314 -5.593 2.519 1.00 0.00 C ATOM 1145 O THR A 73 13.449 -6.308 2.014 1.00 0.00 O ATOM 1146 CB THR A 73 15.756 -6.825 4.141 1.00 0.00 C ATOM 1147 OG1 THR A 73 15.480 -5.878 5.179 1.00 0.00 O ATOM 1148 CG2 THR A 73 17.112 -7.471 4.383 1.00 0.00 C ATOM 0 H THR A 73 17.365 -5.033 3.470 1.00 0.00 H new ATOM 0 HA THR A 73 15.974 -6.849 1.993 1.00 0.00 H new ATOM 0 HB THR A 73 14.994 -7.604 4.149 1.00 0.00 H new ATOM 0 HG1 THR A 73 15.503 -6.330 6.048 1.00 0.00 H new ATOM 0 HG21 THR A 73 17.114 -7.958 5.358 1.00 0.00 H new ATOM 0 HG22 THR A 73 17.306 -8.211 3.607 1.00 0.00 H new ATOM 0 HG23 THR A 73 17.889 -6.707 4.358 1.00 0.00 H new ATOM 1156 N ASP A 74 14.092 -4.333 2.876 1.00 0.00 N ATOM 1157 CA ASP A 74 12.791 -3.702 2.690 1.00 0.00 C ATOM 1158 C ASP A 74 12.403 -3.683 1.214 1.00 0.00 C ATOM 1159 O ASP A 74 11.260 -3.972 0.859 1.00 0.00 O ATOM 1160 CB ASP A 74 12.806 -2.277 3.244 1.00 0.00 C ATOM 1161 CG ASP A 74 11.416 -1.768 3.570 1.00 0.00 C ATOM 1162 OD1 ASP A 74 10.734 -2.398 4.405 1.00 0.00 O ATOM 1163 OD2 ASP A 74 11.011 -0.738 2.992 1.00 0.00 O ATOM 0 H ASP A 74 14.797 -3.728 3.296 1.00 0.00 H new ATOM 0 HA ASP A 74 12.050 -4.287 3.235 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.421 -2.246 4.143 1.00 0.00 H new ATOM 0 HB3 ASP A 74 13.272 -1.612 2.516 1.00 0.00 H new ATOM 1168 N ASP A 75 13.361 -3.341 0.360 1.00 0.00 N ATOM 1169 CA ASP A 75 13.120 -3.285 -1.077 1.00 0.00 C ATOM 1170 C ASP A 75 12.409 -4.545 -1.559 1.00 0.00 C ATOM 1171 O ASP A 75 13.050 -5.523 -1.943 1.00 0.00 O ATOM 1172 CB ASP A 75 14.439 -3.108 -1.830 1.00 0.00 C ATOM 1173 CG ASP A 75 14.404 -3.732 -3.212 1.00 0.00 C ATOM 1174 OD1 ASP A 75 13.829 -3.110 -4.129 1.00 0.00 O ATOM 1175 OD2 ASP A 75 14.952 -4.843 -3.376 1.00 0.00 O ATOM 0 H ASP A 75 14.312 -3.098 0.638 1.00 0.00 H new ATOM 0 HA ASP A 75 12.477 -2.428 -1.279 1.00 0.00 H new ATOM 0 HB2 ASP A 75 14.663 -2.045 -1.920 1.00 0.00 H new ATOM 0 HB3 ASP A 75 15.247 -3.556 -1.252 1.00 0.00 H new ATOM 1180 N SER A 76 11.080 -4.515 -1.535 1.00 0.00 N ATOM 1181 CA SER A 76 10.282 -5.657 -1.964 1.00 0.00 C ATOM 1182 C SER A 76 9.118 -5.207 -2.843 1.00 0.00 C ATOM 1183 O SER A 76 8.863 -4.012 -2.988 1.00 0.00 O ATOM 1184 CB SER A 76 9.752 -6.423 -0.750 1.00 0.00 C ATOM 1185 OG SER A 76 8.918 -5.600 0.047 1.00 0.00 O ATOM 0 H SER A 76 10.534 -3.712 -1.223 1.00 0.00 H new ATOM 0 HA SER A 76 10.923 -6.317 -2.549 1.00 0.00 H new ATOM 0 HB2 SER A 76 9.194 -7.298 -1.083 1.00 0.00 H new ATOM 0 HB3 SER A 76 10.588 -6.787 -0.152 1.00 0.00 H new ATOM 0 HG SER A 76 9.012 -4.667 -0.237 1.00 0.00 H new ATOM 1191 N GLU A 77 8.417 -6.174 -3.426 1.00 0.00 N ATOM 1192 CA GLU A 77 7.281 -5.877 -4.291 1.00 0.00 C ATOM 1193 C GLU A 77 5.979 -5.868 -3.495 1.00 0.00 C ATOM 1194 O GLU A 77 5.476 -6.917 -3.093 1.00 0.00 O ATOM 1195 CB GLU A 77 7.191 -6.903 -5.423 1.00 0.00 C ATOM 1196 CG GLU A 77 6.369 -6.430 -6.609 1.00 0.00 C ATOM 1197 CD GLU A 77 6.552 -7.307 -7.833 1.00 0.00 C ATOM 1198 OE1 GLU A 77 6.942 -8.482 -7.669 1.00 0.00 O ATOM 1199 OE2 GLU A 77 6.305 -6.818 -8.955 1.00 0.00 O ATOM 0 H GLU A 77 8.615 -7.168 -3.315 1.00 0.00 H new ATOM 0 HA GLU A 77 7.433 -4.886 -4.719 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.198 -7.145 -5.763 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.756 -7.823 -5.034 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.315 -6.414 -6.332 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.649 -5.406 -6.855 1.00 0.00 H new ATOM 1206 N TYR A 78 5.439 -4.675 -3.271 1.00 0.00 N ATOM 1207 CA TYR A 78 4.197 -4.527 -2.520 1.00 0.00 C ATOM 1208 C TYR A 78 2.997 -4.466 -3.460 1.00 0.00 C ATOM 1209 O TYR A 78 3.085 -3.931 -4.565 1.00 0.00 O ATOM 1210 CB TYR A 78 4.246 -3.266 -1.656 1.00 0.00 C ATOM 1211 CG TYR A 78 5.459 -3.197 -0.755 1.00 0.00 C ATOM 1212 CD1 TYR A 78 6.725 -2.963 -1.278 1.00 0.00 C ATOM 1213 CD2 TYR A 78 5.338 -3.366 0.619 1.00 0.00 C ATOM 1214 CE1 TYR A 78 7.835 -2.900 -0.459 1.00 0.00 C ATOM 1215 CE2 TYR A 78 6.443 -3.302 1.446 1.00 0.00 C ATOM 1216 CZ TYR A 78 7.689 -3.069 0.902 1.00 0.00 C ATOM 1217 OH TYR A 78 8.793 -3.007 1.722 1.00 0.00 O ATOM 0 H TYR A 78 5.841 -3.797 -3.598 1.00 0.00 H new ATOM 0 HA TYR A 78 4.087 -5.398 -1.874 1.00 0.00 H new ATOM 0 HB2 TYR A 78 4.235 -2.390 -2.305 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.346 -3.220 -1.044 1.00 0.00 H new ATOM 0 HD1 TYR A 78 6.843 -2.828 -2.343 1.00 0.00 H new ATOM 0 HD2 TYR A 78 4.364 -3.550 1.048 1.00 0.00 H new ATOM 0 HE1 TYR A 78 8.812 -2.719 -0.882 1.00 0.00 H new ATOM 0 HE2 TYR A 78 6.332 -3.434 2.512 1.00 0.00 H new ATOM 0 HH TYR A 78 9.567 -3.390 1.258 1.00 0.00 H new ATOM 1227 N TYR A 79 1.875 -5.018 -3.012 1.00 0.00 N ATOM 1228 CA TYR A 79 0.656 -5.029 -3.812 1.00 0.00 C ATOM 1229 C TYR A 79 -0.581 -4.954 -2.921 1.00 0.00 C ATOM 1230 O TYR A 79 -0.675 -5.649 -1.909 1.00 0.00 O ATOM 1231 CB TYR A 79 0.599 -6.290 -4.676 1.00 0.00 C ATOM 1232 CG TYR A 79 0.421 -7.563 -3.880 1.00 0.00 C ATOM 1233 CD1 TYR A 79 1.505 -8.180 -3.266 1.00 0.00 C ATOM 1234 CD2 TYR A 79 -0.831 -8.148 -3.740 1.00 0.00 C ATOM 1235 CE1 TYR A 79 1.346 -9.343 -2.539 1.00 0.00 C ATOM 1236 CE2 TYR A 79 -0.999 -9.311 -3.013 1.00 0.00 C ATOM 1237 CZ TYR A 79 0.093 -9.905 -2.415 1.00 0.00 C ATOM 1238 OH TYR A 79 -0.069 -11.063 -1.689 1.00 0.00 O ATOM 0 H TYR A 79 1.784 -5.464 -2.099 1.00 0.00 H new ATOM 0 HA TYR A 79 0.669 -4.153 -4.460 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -0.223 -6.197 -5.385 1.00 0.00 H new ATOM 0 HB3 TYR A 79 1.517 -6.362 -5.260 1.00 0.00 H new ATOM 0 HD1 TYR A 79 2.488 -7.742 -3.359 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.688 -7.686 -4.207 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.199 -9.810 -2.070 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.980 -9.752 -2.914 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.369 -10.842 -0.783 1.00 0.00 H new ATOM 1248 N VAL A 80 -1.529 -4.105 -3.306 1.00 0.00 N ATOM 1249 CA VAL A 80 -2.761 -3.939 -2.545 1.00 0.00 C ATOM 1250 C VAL A 80 -3.966 -4.442 -3.333 1.00 0.00 C ATOM 1251 O VAL A 80 -4.065 -4.228 -4.542 1.00 0.00 O ATOM 1252 CB VAL A 80 -2.991 -2.465 -2.164 1.00 0.00 C ATOM 1253 CG1 VAL A 80 -3.190 -1.615 -3.410 1.00 0.00 C ATOM 1254 CG2 VAL A 80 -4.181 -2.337 -1.225 1.00 0.00 C ATOM 0 H VAL A 80 -1.467 -3.522 -4.140 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.653 -4.529 -1.635 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.106 -2.100 -1.643 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.351 -0.577 -3.120 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.304 -1.682 -4.042 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.058 -1.976 -3.962 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.329 -1.289 -0.966 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.075 -2.719 -1.717 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.992 -2.912 -0.318 1.00 0.00 H new ATOM 1264 N THR A 81 -4.881 -5.113 -2.641 1.00 0.00 N ATOM 1265 CA THR A 81 -6.079 -5.648 -3.275 1.00 0.00 C ATOM 1266 C THR A 81 -7.339 -5.023 -2.686 1.00 0.00 C ATOM 1267 O THR A 81 -7.421 -4.789 -1.481 1.00 0.00 O ATOM 1268 CB THR A 81 -6.160 -7.178 -3.123 1.00 0.00 C ATOM 1269 OG1 THR A 81 -6.463 -7.521 -1.766 1.00 0.00 O ATOM 1270 CG2 THR A 81 -4.851 -7.833 -3.536 1.00 0.00 C ATOM 0 H THR A 81 -4.815 -5.299 -1.640 1.00 0.00 H new ATOM 0 HA THR A 81 -6.014 -5.399 -4.334 1.00 0.00 H new ATOM 0 HB THR A 81 -6.953 -7.544 -3.775 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.514 -8.496 -1.679 1.00 0.00 H new ATOM 0 HG21 THR A 81 -4.932 -8.914 -3.420 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.638 -7.595 -4.578 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.043 -7.460 -2.906 1.00 0.00 H new ATOM 1278 N ALA A 82 -8.318 -4.755 -3.544 1.00 0.00 N ATOM 1279 CA ALA A 82 -9.574 -4.160 -3.108 1.00 0.00 C ATOM 1280 C ALA A 82 -10.724 -4.573 -4.020 1.00 0.00 C ATOM 1281 O ALA A 82 -10.782 -4.173 -5.182 1.00 0.00 O ATOM 1282 CB ALA A 82 -9.453 -2.644 -3.062 1.00 0.00 C ATOM 0 H ALA A 82 -8.265 -4.941 -4.545 1.00 0.00 H new ATOM 0 HA ALA A 82 -9.791 -4.527 -2.105 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.399 -2.213 -2.735 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -8.665 -2.363 -2.363 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.208 -2.268 -4.055 1.00 0.00 H new ATOM 1288 N GLY A 83 -11.638 -5.378 -3.486 1.00 0.00 N ATOM 1289 CA GLY A 83 -12.773 -5.832 -4.267 1.00 0.00 C ATOM 1290 C GLY A 83 -12.401 -6.927 -5.248 1.00 0.00 C ATOM 1291 O GLY A 83 -12.138 -8.062 -4.851 1.00 0.00 O ATOM 0 H GLY A 83 -11.612 -5.723 -2.527 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.549 -6.199 -3.595 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.196 -4.988 -4.812 1.00 0.00 H new ATOM 1295 N ASP A 84 -12.381 -6.587 -6.532 1.00 0.00 N ATOM 1296 CA ASP A 84 -12.039 -7.549 -7.573 1.00 0.00 C ATOM 1297 C ASP A 84 -10.823 -7.082 -8.367 1.00 0.00 C ATOM 1298 O ASP A 84 -10.475 -7.671 -9.390 1.00 0.00 O ATOM 1299 CB ASP A 84 -13.227 -7.759 -8.513 1.00 0.00 C ATOM 1300 CG ASP A 84 -13.263 -6.742 -9.637 1.00 0.00 C ATOM 1301 OD1 ASP A 84 -13.619 -5.576 -9.369 1.00 0.00 O ATOM 1302 OD2 ASP A 84 -12.937 -7.113 -10.784 1.00 0.00 O ATOM 0 H ASP A 84 -12.598 -5.652 -6.877 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.794 -8.496 -7.092 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -13.179 -8.762 -8.936 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -14.154 -7.698 -7.942 1.00 0.00 H new ATOM 1307 N GLU A 85 -10.182 -6.021 -7.888 1.00 0.00 N ATOM 1308 CA GLU A 85 -9.006 -5.474 -8.555 1.00 0.00 C ATOM 1309 C GLU A 85 -7.844 -5.330 -7.576 1.00 0.00 C ATOM 1310 O GLU A 85 -8.044 -5.241 -6.365 1.00 0.00 O ATOM 1311 CB GLU A 85 -9.332 -4.116 -9.180 1.00 0.00 C ATOM 1312 CG GLU A 85 -10.338 -4.195 -10.315 1.00 0.00 C ATOM 1313 CD GLU A 85 -9.704 -4.605 -11.630 1.00 0.00 C ATOM 1314 OE1 GLU A 85 -8.862 -3.840 -12.146 1.00 0.00 O ATOM 1315 OE2 GLU A 85 -10.049 -5.690 -12.143 1.00 0.00 O ATOM 0 H GLU A 85 -10.457 -5.523 -7.041 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.711 -6.167 -9.343 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.721 -3.453 -8.407 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.411 -3.666 -9.552 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.119 -4.909 -10.054 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.821 -3.225 -10.436 1.00 0.00 H new ATOM 1322 N LYS A 86 -6.627 -5.310 -8.111 1.00 0.00 N ATOM 1323 CA LYS A 86 -5.431 -5.176 -7.288 1.00 0.00 C ATOM 1324 C LYS A 86 -4.275 -4.597 -8.097 1.00 0.00 C ATOM 1325 O LYS A 86 -4.206 -4.777 -9.314 1.00 0.00 O ATOM 1326 CB LYS A 86 -5.032 -6.535 -6.708 1.00 0.00 C ATOM 1327 CG LYS A 86 -4.244 -7.401 -7.676 1.00 0.00 C ATOM 1328 CD LYS A 86 -3.610 -8.589 -6.972 1.00 0.00 C ATOM 1329 CE LYS A 86 -3.001 -9.566 -7.966 1.00 0.00 C ATOM 1330 NZ LYS A 86 -4.045 -10.271 -8.760 1.00 0.00 N ATOM 0 H LYS A 86 -6.444 -5.385 -9.112 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.657 -4.491 -6.471 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.437 -6.376 -5.808 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.932 -7.070 -6.405 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.904 -7.756 -8.468 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.468 -6.802 -8.152 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.839 -8.238 -6.286 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.362 -9.101 -6.371 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.333 -9.030 -8.640 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.395 -10.298 -7.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.623 -11.095 -9.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.807 -10.589 -8.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.435 -9.623 -9.474 1.00 0.00 H new ATOM 1344 N CYS A 87 -3.371 -3.904 -7.415 1.00 0.00 N ATOM 1345 CA CYS A 87 -2.217 -3.299 -8.071 1.00 0.00 C ATOM 1346 C CYS A 87 -0.926 -3.663 -7.345 1.00 0.00 C ATOM 1347 O CYS A 87 -0.954 -4.270 -6.275 1.00 0.00 O ATOM 1348 CB CYS A 87 -2.375 -1.779 -8.127 1.00 0.00 C ATOM 1349 SG CYS A 87 -1.539 -1.001 -9.529 1.00 0.00 S ATOM 0 H CYS A 87 -3.414 -3.747 -6.408 1.00 0.00 H new ATOM 0 HA CYS A 87 -2.162 -3.688 -9.088 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -3.437 -1.536 -8.171 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -1.988 -1.350 -7.203 1.00 0.00 H new ATOM 0 HG CYS A 87 -0.751 -0.062 -9.097 1.00 0.00 H new ATOM 1355 N SER A 88 0.205 -3.288 -7.936 1.00 0.00 N ATOM 1356 CA SER A 88 1.507 -3.580 -7.348 1.00 0.00 C ATOM 1357 C SER A 88 2.498 -2.457 -7.639 1.00 0.00 C ATOM 1358 O SER A 88 2.375 -1.747 -8.638 1.00 0.00 O ATOM 1359 CB SER A 88 2.048 -4.905 -7.886 1.00 0.00 C ATOM 1360 OG SER A 88 2.133 -4.885 -9.301 1.00 0.00 O ATOM 0 H SER A 88 0.245 -2.782 -8.821 1.00 0.00 H new ATOM 0 HA SER A 88 1.381 -3.660 -6.268 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.034 -5.098 -7.462 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.399 -5.722 -7.569 1.00 0.00 H new ATOM 0 HG SER A 88 2.483 -5.743 -9.620 1.00 0.00 H new ATOM 1366 N THR A 89 3.482 -2.302 -6.759 1.00 0.00 N ATOM 1367 CA THR A 89 4.495 -1.266 -6.920 1.00 0.00 C ATOM 1368 C THR A 89 5.865 -1.761 -6.471 1.00 0.00 C ATOM 1369 O THR A 89 5.971 -2.757 -5.757 1.00 0.00 O ATOM 1370 CB THR A 89 4.133 0.001 -6.121 1.00 0.00 C ATOM 1371 OG1 THR A 89 5.110 1.022 -6.354 1.00 0.00 O ATOM 1372 CG2 THR A 89 4.054 -0.302 -4.632 1.00 0.00 C ATOM 0 H THR A 89 3.599 -2.881 -5.927 1.00 0.00 H new ATOM 0 HA THR A 89 4.531 -1.021 -7.982 1.00 0.00 H new ATOM 0 HB THR A 89 3.156 0.349 -6.457 1.00 0.00 H new ATOM 0 HG1 THR A 89 5.009 1.731 -5.685 1.00 0.00 H new ATOM 0 HG21 THR A 89 3.797 0.607 -4.089 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.290 -1.059 -4.455 1.00 0.00 H new ATOM 0 HG23 THR A 89 5.018 -0.672 -4.284 1.00 0.00 H new ATOM 1380 N GLU A 90 6.911 -1.059 -6.896 1.00 0.00 N ATOM 1381 CA GLU A 90 8.275 -1.430 -6.537 1.00 0.00 C ATOM 1382 C GLU A 90 8.885 -0.405 -5.585 1.00 0.00 C ATOM 1383 O GLU A 90 8.661 0.798 -5.724 1.00 0.00 O ATOM 1384 CB GLU A 90 9.140 -1.554 -7.793 1.00 0.00 C ATOM 1385 CG GLU A 90 10.254 -2.579 -7.666 1.00 0.00 C ATOM 1386 CD GLU A 90 11.186 -2.287 -6.506 1.00 0.00 C ATOM 1387 OE1 GLU A 90 11.951 -1.303 -6.594 1.00 0.00 O ATOM 1388 OE2 GLU A 90 11.152 -3.041 -5.511 1.00 0.00 O ATOM 0 H GLU A 90 6.840 -0.232 -7.488 1.00 0.00 H new ATOM 0 HA GLU A 90 8.241 -2.395 -6.031 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.504 -1.823 -8.637 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.577 -0.582 -8.021 1.00 0.00 H new ATOM 0 HG2 GLU A 90 9.818 -3.570 -7.536 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.829 -2.602 -8.592 1.00 0.00 H new ATOM 1395 N LEU A 91 9.655 -0.890 -4.618 1.00 0.00 N ATOM 1396 CA LEU A 91 10.297 -0.018 -3.641 1.00 0.00 C ATOM 1397 C LEU A 91 11.816 -0.081 -3.770 1.00 0.00 C ATOM 1398 O LEU A 91 12.413 -1.153 -3.670 1.00 0.00 O ATOM 1399 CB LEU A 91 9.877 -0.410 -2.223 1.00 0.00 C ATOM 1400 CG LEU A 91 10.402 0.481 -1.097 1.00 0.00 C ATOM 1401 CD1 LEU A 91 11.923 0.471 -1.073 1.00 0.00 C ATOM 1402 CD2 LEU A 91 9.879 1.902 -1.253 1.00 0.00 C ATOM 0 H LEU A 91 9.850 -1.883 -4.489 1.00 0.00 H new ATOM 0 HA LEU A 91 9.976 1.005 -3.838 1.00 0.00 H new ATOM 0 HB2 LEU A 91 8.788 -0.416 -2.177 1.00 0.00 H new ATOM 0 HB3 LEU A 91 10.210 -1.431 -2.036 1.00 0.00 H new ATOM 0 HG LEU A 91 10.041 0.084 -0.148 1.00 0.00 H new ATOM 0 HD11 LEU A 91 12.278 1.111 -0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 91 12.278 -0.547 -0.912 1.00 0.00 H new ATOM 0 HD13 LEU A 91 12.304 0.842 -2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 91 10.263 2.522 -0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 91 10.209 2.308 -2.209 1.00 0.00 H new ATOM 0 HD23 LEU A 91 8.790 1.894 -1.219 1.00 0.00 H new ATOM 1414 N PHE A 92 12.435 1.074 -3.990 1.00 0.00 N ATOM 1415 CA PHE A 92 13.884 1.150 -4.131 1.00 0.00 C ATOM 1416 C PHE A 92 14.503 1.931 -2.976 1.00 0.00 C ATOM 1417 O PHE A 92 14.542 3.162 -2.994 1.00 0.00 O ATOM 1418 CB PHE A 92 14.254 1.807 -5.462 1.00 0.00 C ATOM 1419 CG PHE A 92 14.086 0.899 -6.647 1.00 0.00 C ATOM 1420 CD1 PHE A 92 14.965 -0.150 -6.863 1.00 0.00 C ATOM 1421 CD2 PHE A 92 13.047 1.093 -7.543 1.00 0.00 C ATOM 1422 CE1 PHE A 92 14.812 -0.986 -7.952 1.00 0.00 C ATOM 1423 CE2 PHE A 92 12.889 0.260 -8.634 1.00 0.00 C ATOM 1424 CZ PHE A 92 13.773 -0.782 -8.838 1.00 0.00 C ATOM 0 H PHE A 92 11.956 1.970 -4.074 1.00 0.00 H new ATOM 0 HA PHE A 92 14.279 0.134 -4.112 1.00 0.00 H new ATOM 0 HB2 PHE A 92 13.637 2.694 -5.604 1.00 0.00 H new ATOM 0 HB3 PHE A 92 15.290 2.143 -5.416 1.00 0.00 H new ATOM 0 HD1 PHE A 92 15.779 -0.316 -6.172 1.00 0.00 H new ATOM 0 HD2 PHE A 92 12.352 1.905 -7.387 1.00 0.00 H new ATOM 0 HE1 PHE A 92 15.505 -1.799 -8.110 1.00 0.00 H new ATOM 0 HE2 PHE A 92 12.076 0.423 -9.326 1.00 0.00 H new ATOM 0 HZ PHE A 92 13.651 -1.436 -9.689 1.00 0.00 H new ATOM 1434 N VAL A 93 14.984 1.207 -1.970 1.00 0.00 N ATOM 1435 CA VAL A 93 15.602 1.831 -0.806 1.00 0.00 C ATOM 1436 C VAL A 93 17.122 1.830 -0.923 1.00 0.00 C ATOM 1437 O VAL A 93 17.754 0.774 -0.909 1.00 0.00 O ATOM 1438 CB VAL A 93 15.197 1.114 0.496 1.00 0.00 C ATOM 1439 CG1 VAL A 93 15.506 -0.372 0.405 1.00 0.00 C ATOM 1440 CG2 VAL A 93 15.901 1.742 1.690 1.00 0.00 C ATOM 0 H VAL A 93 14.958 0.188 -1.938 1.00 0.00 H new ATOM 0 HA VAL A 93 15.245 2.860 -0.772 1.00 0.00 H new ATOM 0 HB VAL A 93 14.122 1.229 0.635 1.00 0.00 H new ATOM 0 HG11 VAL A 93 15.213 -0.862 1.334 1.00 0.00 H new ATOM 0 HG12 VAL A 93 14.952 -0.809 -0.426 1.00 0.00 H new ATOM 0 HG13 VAL A 93 16.575 -0.512 0.242 1.00 0.00 H new ATOM 0 HG21 VAL A 93 15.604 1.224 2.602 1.00 0.00 H new ATOM 0 HG22 VAL A 93 16.980 1.659 1.561 1.00 0.00 H new ATOM 0 HG23 VAL A 93 15.624 2.794 1.764 1.00 0.00 H new ATOM 1450 N ARG A 94 17.702 3.020 -1.037 1.00 0.00 N ATOM 1451 CA ARG A 94 19.149 3.156 -1.157 1.00 0.00 C ATOM 1452 C ARG A 94 19.855 2.526 0.040 1.00 0.00 C ATOM 1453 O ARG A 94 19.264 2.364 1.107 1.00 0.00 O ATOM 1454 CB ARG A 94 19.536 4.631 -1.274 1.00 0.00 C ATOM 1455 CG ARG A 94 18.820 5.362 -2.397 1.00 0.00 C ATOM 1456 CD ARG A 94 19.283 6.806 -2.507 1.00 0.00 C ATOM 1457 NE ARG A 94 20.463 6.940 -3.356 1.00 0.00 N ATOM 1458 CZ ARG A 94 20.408 7.049 -4.679 1.00 0.00 C ATOM 1459 NH1 ARG A 94 19.237 7.041 -5.300 1.00 0.00 N ATOM 1460 NH2 ARG A 94 21.527 7.167 -5.383 1.00 0.00 N ATOM 0 H ARG A 94 17.193 3.904 -1.049 1.00 0.00 H new ATOM 0 HA ARG A 94 19.465 2.633 -2.059 1.00 0.00 H new ATOM 0 HB2 ARG A 94 19.318 5.131 -0.330 1.00 0.00 H new ATOM 0 HB3 ARG A 94 20.612 4.704 -1.433 1.00 0.00 H new ATOM 0 HG2 ARG A 94 19.002 4.848 -3.341 1.00 0.00 H new ATOM 0 HG3 ARG A 94 17.745 5.336 -2.222 1.00 0.00 H new ATOM 0 HD2 ARG A 94 18.475 7.416 -2.911 1.00 0.00 H new ATOM 0 HD3 ARG A 94 19.507 7.192 -1.512 1.00 0.00 H new ATOM 0 HE ARG A 94 21.380 6.951 -2.909 1.00 0.00 H new ATOM 0 HH11 ARG A 94 18.375 6.951 -4.762 1.00 0.00 H new ATOM 0 HH12 ARG A 94 19.198 7.125 -6.316 1.00 0.00 H new ATOM 0 HH21 ARG A 94 22.430 7.174 -4.908 1.00 0.00 H new ATOM 0 HH22 ARG A 94 21.484 7.251 -6.399 1.00 0.00 H new ATOM 1474 N SER A 95 21.123 2.173 -0.146 1.00 0.00 N ATOM 1475 CA SER A 95 21.909 1.557 0.917 1.00 0.00 C ATOM 1476 C SER A 95 23.031 2.486 1.370 1.00 0.00 C ATOM 1477 O SER A 95 23.194 2.747 2.561 1.00 0.00 O ATOM 1478 CB SER A 95 22.494 0.226 0.441 1.00 0.00 C ATOM 1479 OG SER A 95 23.431 0.424 -0.604 1.00 0.00 O ATOM 0 H SER A 95 21.628 2.303 -1.023 1.00 0.00 H new ATOM 0 HA SER A 95 21.249 1.373 1.764 1.00 0.00 H new ATOM 0 HB2 SER A 95 22.978 -0.281 1.276 1.00 0.00 H new ATOM 0 HB3 SER A 95 21.691 -0.425 0.095 1.00 0.00 H new ATOM 0 HG SER A 95 23.791 -0.442 -0.889 1.00 0.00 H new ATOM 1485 N GLY A 96 23.805 2.983 0.409 1.00 0.00 N ATOM 1486 CA GLY A 96 24.902 3.877 0.728 1.00 0.00 C ATOM 1487 C GLY A 96 24.543 4.871 1.815 1.00 0.00 C ATOM 1488 O GLY A 96 23.404 5.326 1.918 1.00 0.00 O ATOM 0 H GLY A 96 23.691 2.782 -0.584 1.00 0.00 H new ATOM 0 HA2 GLY A 96 25.764 3.290 1.047 1.00 0.00 H new ATOM 0 HA3 GLY A 96 25.199 4.418 -0.171 1.00 0.00 H new ATOM 1492 N PRO A 97 25.531 5.222 2.652 1.00 0.00 N ATOM 1493 CA PRO A 97 25.337 6.171 3.752 1.00 0.00 C ATOM 1494 C PRO A 97 25.119 7.596 3.256 1.00 0.00 C ATOM 1495 O PRO A 97 25.946 8.143 2.527 1.00 0.00 O ATOM 1496 CB PRO A 97 26.646 6.073 4.539 1.00 0.00 C ATOM 1497 CG PRO A 97 27.654 5.613 3.544 1.00 0.00 C ATOM 1498 CD PRO A 97 26.914 4.719 2.588 1.00 0.00 C ATOM 0 HA PRO A 97 24.451 5.937 4.341 1.00 0.00 H new ATOM 0 HB2 PRO A 97 26.923 7.036 4.967 1.00 0.00 H new ATOM 0 HB3 PRO A 97 26.558 5.370 5.367 1.00 0.00 H new ATOM 0 HG2 PRO A 97 28.100 6.459 3.021 1.00 0.00 H new ATOM 0 HG3 PRO A 97 28.467 5.075 4.032 1.00 0.00 H new ATOM 0 HD2 PRO A 97 27.320 4.786 1.579 1.00 0.00 H new ATOM 0 HD3 PRO A 97 26.975 3.673 2.887 1.00 0.00 H new ATOM 1506 N SER A 98 24.001 8.193 3.656 1.00 0.00 N ATOM 1507 CA SER A 98 23.673 9.554 3.250 1.00 0.00 C ATOM 1508 C SER A 98 23.165 10.368 4.436 1.00 0.00 C ATOM 1509 O SER A 98 22.864 9.820 5.496 1.00 0.00 O ATOM 1510 CB SER A 98 22.620 9.538 2.140 1.00 0.00 C ATOM 1511 OG SER A 98 23.137 8.956 0.955 1.00 0.00 O ATOM 0 H SER A 98 23.307 7.755 4.261 1.00 0.00 H new ATOM 0 HA SER A 98 24.582 10.023 2.873 1.00 0.00 H new ATOM 0 HB2 SER A 98 21.745 8.979 2.472 1.00 0.00 H new ATOM 0 HB3 SER A 98 22.288 10.556 1.934 1.00 0.00 H new ATOM 0 HG SER A 98 22.445 8.956 0.261 1.00 0.00 H new ATOM 1517 N SER A 99 23.071 11.681 4.248 1.00 0.00 N ATOM 1518 CA SER A 99 22.604 12.572 5.303 1.00 0.00 C ATOM 1519 C SER A 99 21.213 12.166 5.781 1.00 0.00 C ATOM 1520 O SER A 99 20.285 12.034 4.985 1.00 0.00 O ATOM 1521 CB SER A 99 22.581 14.019 4.805 1.00 0.00 C ATOM 1522 OG SER A 99 23.895 14.529 4.660 1.00 0.00 O ATOM 0 H SER A 99 23.312 12.151 3.375 1.00 0.00 H new ATOM 0 HA SER A 99 23.295 12.494 6.142 1.00 0.00 H new ATOM 0 HB2 SER A 99 22.060 14.070 3.849 1.00 0.00 H new ATOM 0 HB3 SER A 99 22.022 14.639 5.506 1.00 0.00 H new ATOM 0 HG SER A 99 23.853 15.454 4.339 1.00 0.00 H new ATOM 1528 N GLY A 100 21.078 11.968 7.089 1.00 0.00 N ATOM 1529 CA GLY A 100 19.799 11.577 7.652 1.00 0.00 C ATOM 1530 C GLY A 100 19.417 12.413 8.858 1.00 0.00 C ATOM 1531 O GLY A 100 20.229 12.620 9.760 1.00 0.00 O ATOM 0 H GLY A 100 21.832 12.071 7.769 1.00 0.00 H new ATOM 0 HA2 GLY A 100 19.026 11.670 6.889 1.00 0.00 H new ATOM 0 HA3 GLY A 100 19.838 10.526 7.940 1.00 0.00 H new TER 1535 GLY A 100