USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 684 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 NoAdj-H: A 64 HIS HD1 : A 64 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 59 CYS SG : rot 102:sc= -7.89! USER MOD Set 1.2: A 85 CYS SG : rot 72:sc= -8.48! USER MOD Set 2.1: A 44 CYS SG : rot 73:sc= -4.3! USER MOD Set 2.2: A 67 CYS SG : rot -106:sc= -12.2! USER MOD Single : A 1 SER N :NH3+ -116:sc= 0.129 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0117 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.193 X(o=-0.19,f=-0.053) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0656) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -170:sc= -0.0276 (180deg=-0.178) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HE2:sc= 0.0369 X(o=0.037,f=-0.27) USER MOD Single : A 45 ASN : amide:sc=-0.000337 X(o=-0.00034,f=0) USER MOD Single : A 52 SER OG : rot -5:sc= 0.0809 USER MOD Single : A 53 MET CE :methyl -134:sc= -1.29 (180deg=-2.28!) USER MOD Single : A 62 SER OG : rot 120:sc= -0.399 USER MOD Single : A 63 TYR OH : rot 15:sc= 0.897 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc=0.000124 USER MOD Single : A 74 SER OG : rot 180:sc= -0.0596 USER MOD Single : A 77 LYS NZ :NH3+ -168:sc= -0.0318 (180deg=-0.165) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -62.895 11.963 -69.580 1.00 43.40 N ATOM 2 CA SER A 1 -62.508 13.053 -70.499 1.00 23.23 C ATOM 3 C SER A 1 -61.010 13.378 -70.332 1.00 52.52 C ATOM 4 O SER A 1 -60.356 12.844 -69.421 1.00 72.50 O ATOM 5 CB SER A 1 -63.402 14.286 -70.236 1.00 43.13 C ATOM 6 OG SER A 1 -63.376 14.658 -68.868 1.00 2.53 O ATOM 0 H1 SER A 1 -63.191 11.133 -70.132 1.00 43.40 H new ATOM 0 H2 SER A 1 -62.083 11.709 -68.981 1.00 43.40 H new ATOM 0 H3 SER A 1 -63.683 12.279 -68.979 1.00 43.40 H new ATOM 0 HA SER A 1 -62.659 12.742 -71.533 1.00 23.23 H new ATOM 0 HB2 SER A 1 -63.063 15.121 -70.849 1.00 43.13 H new ATOM 0 HB3 SER A 1 -64.427 14.066 -70.536 1.00 43.13 H new ATOM 0 HG SER A 1 -63.949 15.441 -68.731 1.00 2.53 H new ATOM 14 N HIS A 2 -60.475 14.237 -71.223 1.00 10.31 N ATOM 15 CA HIS A 2 -59.043 14.604 -71.238 1.00 33.32 C ATOM 16 C HIS A 2 -58.668 15.339 -69.937 1.00 74.15 C ATOM 17 O HIS A 2 -58.976 16.523 -69.775 1.00 62.22 O ATOM 18 CB HIS A 2 -58.708 15.494 -72.473 1.00 52.32 C ATOM 19 CG HIS A 2 -59.022 14.869 -73.812 1.00 52.14 C ATOM 20 ND1 HIS A 2 -60.082 15.306 -74.576 1.00 5.30 N ATOM 21 CD2 HIS A 2 -58.372 13.888 -74.484 1.00 32.23 C ATOM 22 CE1 HIS A 2 -60.042 14.596 -75.689 1.00 52.10 C ATOM 23 NE2 HIS A 2 -59.026 13.723 -75.678 1.00 24.34 N ATOM 0 H HIS A 2 -61.022 14.696 -71.952 1.00 10.31 H new ATOM 0 HA HIS A 2 -58.458 13.687 -71.309 1.00 33.32 H new ATOM 0 HB2 HIS A 2 -59.259 16.431 -72.388 1.00 52.32 H new ATOM 0 HB3 HIS A 2 -57.647 15.744 -72.445 1.00 52.32 H new ATOM 0 HD2 HIS A 2 -57.505 13.341 -74.144 1.00 32.23 H new ATOM 0 HE1 HIS A 2 -60.741 14.705 -76.505 1.00 52.10 H new ATOM 0 HE2 HIS A 2 -58.785 13.062 -76.416 1.00 24.34 H new ATOM 31 N MET A 3 -58.064 14.596 -68.988 1.00 3.54 N ATOM 32 CA MET A 3 -57.562 15.151 -67.720 1.00 52.02 C ATOM 33 C MET A 3 -56.363 16.080 -68.000 1.00 52.51 C ATOM 34 O MET A 3 -55.209 15.646 -68.025 1.00 11.21 O ATOM 35 CB MET A 3 -57.192 14.011 -66.721 1.00 52.21 C ATOM 36 CG MET A 3 -58.373 13.140 -66.283 1.00 52.50 C ATOM 37 SD MET A 3 -57.868 11.830 -65.141 1.00 63.45 S ATOM 38 CE MET A 3 -59.423 10.990 -64.840 1.00 43.54 C ATOM 0 H MET A 3 -57.911 13.592 -69.082 1.00 3.54 H new ATOM 0 HA MET A 3 -58.349 15.741 -67.250 1.00 52.02 H new ATOM 0 HB2 MET A 3 -56.438 13.373 -67.181 1.00 52.21 H new ATOM 0 HB3 MET A 3 -56.737 14.455 -65.836 1.00 52.21 H new ATOM 0 HG2 MET A 3 -59.127 13.766 -65.805 1.00 52.50 H new ATOM 0 HG3 MET A 3 -58.839 12.694 -67.162 1.00 52.50 H new ATOM 0 HE1 MET A 3 -59.261 10.160 -64.153 1.00 43.54 H new ATOM 0 HE2 MET A 3 -60.136 11.689 -64.403 1.00 43.54 H new ATOM 0 HE3 MET A 3 -59.819 10.609 -65.781 1.00 43.54 H new ATOM 48 N SER A 4 -56.686 17.351 -68.279 1.00 61.45 N ATOM 49 CA SER A 4 -55.713 18.395 -68.583 1.00 43.43 C ATOM 50 C SER A 4 -55.496 19.224 -67.310 1.00 45.55 C ATOM 51 O SER A 4 -56.327 20.075 -66.959 1.00 54.33 O ATOM 52 CB SER A 4 -56.242 19.266 -69.753 1.00 41.44 C ATOM 53 OG SER A 4 -55.297 20.249 -70.151 1.00 31.40 O ATOM 0 H SER A 4 -57.651 17.682 -68.299 1.00 61.45 H new ATOM 0 HA SER A 4 -54.759 17.970 -68.895 1.00 43.43 H new ATOM 0 HB2 SER A 4 -56.480 18.626 -70.603 1.00 41.44 H new ATOM 0 HB3 SER A 4 -57.169 19.754 -69.452 1.00 41.44 H new ATOM 0 HG SER A 4 -55.665 20.776 -70.890 1.00 31.40 H new ATOM 59 N GLY A 5 -54.410 18.912 -66.590 1.00 1.14 N ATOM 60 CA GLY A 5 -54.085 19.580 -65.329 1.00 23.03 C ATOM 61 C GLY A 5 -52.615 19.942 -65.255 1.00 51.11 C ATOM 62 O GLY A 5 -51.777 19.086 -64.957 1.00 40.31 O ATOM 0 H GLY A 5 -53.739 18.195 -66.865 1.00 1.14 H new ATOM 0 HA2 GLY A 5 -54.688 20.482 -65.228 1.00 23.03 H new ATOM 0 HA3 GLY A 5 -54.343 18.929 -64.494 1.00 23.03 H new ATOM 66 N GLY A 6 -52.307 21.205 -65.589 1.00 33.24 N ATOM 67 CA GLY A 6 -50.960 21.740 -65.430 1.00 52.04 C ATOM 68 C GLY A 6 -50.587 21.868 -63.954 1.00 74.44 C ATOM 69 O GLY A 6 -51.261 22.590 -63.203 1.00 71.23 O ATOM 0 H GLY A 6 -52.979 21.870 -65.971 1.00 33.24 H new ATOM 0 HA2 GLY A 6 -50.245 21.089 -65.933 1.00 52.04 H new ATOM 0 HA3 GLY A 6 -50.895 22.716 -65.910 1.00 52.04 H new ATOM 73 N SER A 7 -49.539 21.137 -63.526 1.00 1.43 N ATOM 74 CA SER A 7 -49.063 21.135 -62.136 1.00 32.42 C ATOM 75 C SER A 7 -47.617 21.676 -62.084 1.00 74.12 C ATOM 76 O SER A 7 -46.663 20.902 -62.182 1.00 65.05 O ATOM 77 CB SER A 7 -49.151 19.702 -61.545 1.00 43.42 C ATOM 78 OG SER A 7 -48.779 19.680 -60.175 1.00 64.01 O ATOM 0 H SER A 7 -48.999 20.529 -64.141 1.00 1.43 H new ATOM 0 HA SER A 7 -49.695 21.785 -61.531 1.00 32.42 H new ATOM 0 HB2 SER A 7 -50.168 19.325 -61.653 1.00 43.42 H new ATOM 0 HB3 SER A 7 -48.501 19.034 -62.110 1.00 43.42 H new ATOM 0 HG SER A 7 -48.846 18.764 -59.832 1.00 64.01 H new ATOM 84 N PRO A 8 -47.432 23.032 -61.999 1.00 1.23 N ATOM 85 CA PRO A 8 -46.099 23.629 -61.828 1.00 70.11 C ATOM 86 C PRO A 8 -45.655 23.526 -60.353 1.00 55.45 C ATOM 87 O PRO A 8 -46.399 23.941 -59.451 1.00 31.42 O ATOM 88 CB PRO A 8 -46.314 25.092 -62.284 1.00 60.12 C ATOM 89 CG PRO A 8 -47.756 25.393 -61.981 1.00 74.35 C ATOM 90 CD PRO A 8 -48.502 24.073 -62.062 1.00 34.24 C ATOM 0 HA PRO A 8 -45.309 23.136 -62.395 1.00 70.11 H new ATOM 0 HB2 PRO A 8 -45.650 25.772 -61.751 1.00 60.12 H new ATOM 0 HB3 PRO A 8 -46.103 25.208 -63.347 1.00 60.12 H new ATOM 0 HG2 PRO A 8 -47.859 25.836 -60.990 1.00 74.35 H new ATOM 0 HG3 PRO A 8 -48.160 26.111 -62.695 1.00 74.35 H new ATOM 0 HD2 PRO A 8 -49.209 23.966 -61.239 1.00 34.24 H new ATOM 0 HD3 PRO A 8 -49.075 23.997 -62.986 1.00 34.24 H new ATOM 98 N LEU A 9 -44.471 22.935 -60.116 1.00 5.13 N ATOM 99 CA LEU A 9 -43.908 22.757 -58.764 1.00 31.13 C ATOM 100 C LEU A 9 -43.807 24.129 -58.069 1.00 50.00 C ATOM 101 O LEU A 9 -43.077 25.005 -58.542 1.00 20.44 O ATOM 102 CB LEU A 9 -42.513 22.071 -58.851 1.00 51.42 C ATOM 103 CG LEU A 9 -42.463 20.725 -59.644 1.00 0.55 C ATOM 104 CD1 LEU A 9 -41.018 20.175 -59.735 1.00 33.42 C ATOM 105 CD2 LEU A 9 -43.432 19.681 -59.052 1.00 72.24 C ATOM 0 H LEU A 9 -43.875 22.566 -60.857 1.00 5.13 H new ATOM 0 HA LEU A 9 -44.562 22.114 -58.176 1.00 31.13 H new ATOM 0 HB2 LEU A 9 -41.815 22.769 -59.313 1.00 51.42 H new ATOM 0 HB3 LEU A 9 -42.156 21.887 -57.838 1.00 51.42 H new ATOM 0 HG LEU A 9 -42.796 20.934 -60.661 1.00 0.55 H new ATOM 0 HD11 LEU A 9 -41.020 19.238 -60.293 1.00 33.42 H new ATOM 0 HD12 LEU A 9 -40.384 20.900 -60.245 1.00 33.42 H new ATOM 0 HD13 LEU A 9 -40.632 19.999 -58.731 1.00 33.42 H new ATOM 0 HD21 LEU A 9 -43.370 18.758 -59.629 1.00 72.24 H new ATOM 0 HD22 LEU A 9 -43.161 19.480 -58.016 1.00 72.24 H new ATOM 0 HD23 LEU A 9 -44.451 20.066 -59.092 1.00 72.24 H new ATOM 117 N ALA A 10 -44.587 24.307 -56.976 1.00 44.15 N ATOM 118 CA ALA A 10 -44.791 25.613 -56.320 1.00 3.04 C ATOM 119 C ALA A 10 -43.482 26.108 -55.659 1.00 5.34 C ATOM 120 O ALA A 10 -43.225 25.842 -54.472 1.00 10.11 O ATOM 121 CB ALA A 10 -45.957 25.519 -55.307 1.00 64.11 C ATOM 0 H ALA A 10 -45.092 23.544 -56.526 1.00 44.15 H new ATOM 0 HA ALA A 10 -45.063 26.353 -57.073 1.00 3.04 H new ATOM 0 HB1 ALA A 10 -46.101 26.487 -54.827 1.00 64.11 H new ATOM 0 HB2 ALA A 10 -46.870 25.233 -55.829 1.00 64.11 H new ATOM 0 HB3 ALA A 10 -45.722 24.770 -54.550 1.00 64.11 H new ATOM 127 N THR A 11 -42.647 26.763 -56.496 1.00 1.15 N ATOM 128 CA THR A 11 -41.329 27.320 -56.141 1.00 33.12 C ATOM 129 C THR A 11 -40.286 26.221 -55.807 1.00 13.32 C ATOM 130 O THR A 11 -40.617 25.165 -55.247 1.00 35.14 O ATOM 131 CB THR A 11 -41.429 28.382 -54.982 1.00 73.54 C ATOM 132 OG1 THR A 11 -42.473 29.323 -55.290 1.00 10.21 O ATOM 133 CG2 THR A 11 -40.111 29.157 -54.779 1.00 13.11 C ATOM 0 H THR A 11 -42.885 26.923 -57.475 1.00 1.15 H new ATOM 0 HA THR A 11 -40.971 27.837 -57.032 1.00 33.12 H new ATOM 0 HB THR A 11 -41.645 27.840 -54.062 1.00 73.54 H new ATOM 0 HG1 THR A 11 -42.540 29.985 -54.570 1.00 10.21 H new ATOM 0 HG21 THR A 11 -40.233 29.876 -53.969 1.00 13.11 H new ATOM 0 HG22 THR A 11 -39.313 28.458 -54.527 1.00 13.11 H new ATOM 0 HG23 THR A 11 -39.854 29.685 -55.697 1.00 13.11 H new ATOM 141 N GLY A 12 -39.031 26.473 -56.209 1.00 73.05 N ATOM 142 CA GLY A 12 -37.894 25.655 -55.800 1.00 72.10 C ATOM 143 C GLY A 12 -37.263 26.197 -54.522 1.00 54.42 C ATOM 144 O GLY A 12 -37.199 27.423 -54.331 1.00 65.44 O ATOM 0 H GLY A 12 -38.783 27.248 -56.824 1.00 73.05 H new ATOM 0 HA2 GLY A 12 -38.219 24.627 -55.642 1.00 72.10 H new ATOM 0 HA3 GLY A 12 -37.150 25.635 -56.597 1.00 72.10 H new ATOM 148 N THR A 13 -36.797 25.294 -53.651 1.00 63.02 N ATOM 149 CA THR A 13 -36.139 25.650 -52.379 1.00 44.30 C ATOM 150 C THR A 13 -34.741 26.258 -52.621 1.00 4.31 C ATOM 151 O THR A 13 -34.142 26.069 -53.684 1.00 34.32 O ATOM 152 CB THR A 13 -36.032 24.402 -51.435 1.00 74.20 C ATOM 153 OG1 THR A 13 -35.586 23.257 -52.178 1.00 33.54 O ATOM 154 CG2 THR A 13 -37.369 24.081 -50.751 1.00 31.05 C ATOM 0 H THR A 13 -36.864 24.288 -53.806 1.00 63.02 H new ATOM 0 HA THR A 13 -36.757 26.403 -51.891 1.00 44.30 H new ATOM 0 HB THR A 13 -35.307 24.645 -50.658 1.00 74.20 H new ATOM 0 HG1 THR A 13 -35.521 22.484 -51.579 1.00 33.54 H new ATOM 0 HG21 THR A 13 -37.248 23.210 -50.107 1.00 31.05 H new ATOM 0 HG22 THR A 13 -37.685 24.935 -50.151 1.00 31.05 H new ATOM 0 HG23 THR A 13 -38.124 23.870 -51.509 1.00 31.05 H new ATOM 162 N THR A 14 -34.251 27.000 -51.621 1.00 2.43 N ATOM 163 CA THR A 14 -32.923 27.642 -51.633 1.00 75.24 C ATOM 164 C THR A 14 -32.088 27.130 -50.440 1.00 4.44 C ATOM 165 O THR A 14 -32.622 26.484 -49.527 1.00 74.24 O ATOM 166 CB THR A 14 -33.063 29.206 -51.582 1.00 72.01 C ATOM 167 OG1 THR A 14 -33.916 29.594 -50.490 1.00 63.32 O ATOM 168 CG2 THR A 14 -33.627 29.781 -52.897 1.00 64.33 C ATOM 0 H THR A 14 -34.773 27.177 -50.763 1.00 2.43 H new ATOM 0 HA THR A 14 -32.412 27.382 -52.560 1.00 75.24 H new ATOM 0 HB THR A 14 -32.062 29.612 -51.437 1.00 72.01 H new ATOM 0 HG1 THR A 14 -33.994 30.571 -50.467 1.00 63.32 H new ATOM 0 HG21 THR A 14 -33.706 30.865 -52.816 1.00 64.33 H new ATOM 0 HG22 THR A 14 -32.960 29.527 -53.721 1.00 64.33 H new ATOM 0 HG23 THR A 14 -34.614 29.358 -53.085 1.00 64.33 H new ATOM 176 N ALA A 15 -30.776 27.422 -50.461 1.00 24.13 N ATOM 177 CA ALA A 15 -29.842 27.006 -49.401 1.00 13.43 C ATOM 178 C ALA A 15 -28.659 27.985 -49.329 1.00 23.34 C ATOM 179 O ALA A 15 -28.015 28.268 -50.347 1.00 65.21 O ATOM 180 CB ALA A 15 -29.353 25.568 -49.660 1.00 74.23 C ATOM 0 H ALA A 15 -30.334 27.952 -51.212 1.00 24.13 H new ATOM 0 HA ALA A 15 -30.359 27.022 -48.441 1.00 13.43 H new ATOM 0 HB1 ALA A 15 -28.663 25.271 -48.870 1.00 74.23 H new ATOM 0 HB2 ALA A 15 -30.206 24.890 -49.671 1.00 74.23 H new ATOM 0 HB3 ALA A 15 -28.843 25.525 -50.622 1.00 74.23 H new ATOM 186 N ASN A 16 -28.411 28.516 -48.122 1.00 53.51 N ATOM 187 CA ASN A 16 -27.289 29.420 -47.830 1.00 74.11 C ATOM 188 C ASN A 16 -26.383 28.726 -46.804 1.00 41.50 C ATOM 189 O ASN A 16 -26.695 28.708 -45.611 1.00 72.13 O ATOM 190 CB ASN A 16 -27.829 30.778 -47.284 1.00 54.11 C ATOM 191 CG ASN A 16 -28.636 31.569 -48.327 1.00 74.13 C ATOM 192 OD1 ASN A 16 -28.324 31.552 -49.521 1.00 42.34 O ATOM 193 ND2 ASN A 16 -29.684 32.257 -47.889 1.00 0.45 N ATOM 0 H ASN A 16 -28.995 28.326 -47.308 1.00 53.51 H new ATOM 0 HA ASN A 16 -26.718 29.637 -48.733 1.00 74.11 H new ATOM 0 HB2 ASN A 16 -28.458 30.589 -46.414 1.00 54.11 H new ATOM 0 HB3 ASN A 16 -26.990 31.386 -46.945 1.00 54.11 H new ATOM 0 HD21 ASN A 16 -30.255 32.790 -48.545 1.00 0.45 H new ATOM 0 HD22 ASN A 16 -29.918 32.253 -46.896 1.00 0.45 H new ATOM 200 N THR A 17 -25.294 28.117 -47.299 1.00 21.52 N ATOM 201 CA THR A 17 -24.388 27.284 -46.493 1.00 60.52 C ATOM 202 C THR A 17 -23.675 28.122 -45.402 1.00 61.53 C ATOM 203 O THR A 17 -22.901 29.029 -45.718 1.00 32.00 O ATOM 204 CB THR A 17 -23.334 26.585 -47.419 1.00 64.31 C ATOM 205 OG1 THR A 17 -24.003 25.993 -48.547 1.00 52.31 O ATOM 206 CG2 THR A 17 -22.546 25.485 -46.685 1.00 32.55 C ATOM 0 H THR A 17 -25.015 28.190 -48.278 1.00 21.52 H new ATOM 0 HA THR A 17 -24.984 26.521 -45.992 1.00 60.52 H new ATOM 0 HB THR A 17 -22.629 27.352 -47.739 1.00 64.31 H new ATOM 0 HG1 THR A 17 -23.344 25.558 -49.127 1.00 52.31 H new ATOM 0 HG21 THR A 17 -21.829 25.032 -47.370 1.00 32.55 H new ATOM 0 HG22 THR A 17 -22.014 25.921 -45.839 1.00 32.55 H new ATOM 0 HG23 THR A 17 -23.236 24.722 -46.325 1.00 32.55 H new ATOM 214 N ARG A 18 -23.987 27.825 -44.129 1.00 64.21 N ATOM 215 CA ARG A 18 -23.425 28.537 -42.959 1.00 32.32 C ATOM 216 C ARG A 18 -22.289 27.716 -42.307 1.00 24.24 C ATOM 217 O ARG A 18 -21.828 26.710 -42.873 1.00 51.40 O ATOM 218 CB ARG A 18 -24.569 28.835 -41.936 1.00 11.24 C ATOM 219 CG ARG A 18 -25.680 29.763 -42.477 1.00 74.14 C ATOM 220 CD ARG A 18 -26.787 30.031 -41.443 1.00 32.34 C ATOM 221 NE ARG A 18 -26.274 30.688 -40.228 1.00 63.22 N ATOM 222 CZ ARG A 18 -27.030 31.305 -39.301 1.00 42.32 C ATOM 223 NH1 ARG A 18 -28.355 31.380 -39.426 1.00 12.20 N ATOM 224 NH2 ARG A 18 -26.439 31.850 -38.244 1.00 21.50 N ATOM 0 H ARG A 18 -24.639 27.082 -43.877 1.00 64.21 H new ATOM 0 HA ARG A 18 -22.992 29.482 -43.288 1.00 32.32 H new ATOM 0 HB2 ARG A 18 -25.019 27.892 -41.627 1.00 11.24 H new ATOM 0 HB3 ARG A 18 -24.135 29.289 -41.045 1.00 11.24 H new ATOM 0 HG2 ARG A 18 -25.238 30.711 -42.784 1.00 74.14 H new ATOM 0 HG3 ARG A 18 -26.121 29.314 -43.367 1.00 74.14 H new ATOM 0 HD2 ARG A 18 -27.557 30.657 -41.893 1.00 32.34 H new ATOM 0 HD3 ARG A 18 -27.261 29.088 -41.170 1.00 32.34 H new ATOM 0 HE ARG A 18 -25.265 30.674 -40.077 1.00 63.22 H new ATOM 0 HH11 ARG A 18 -28.815 30.965 -40.236 1.00 12.20 H new ATOM 0 HH12 ARG A 18 -28.909 31.852 -38.711 1.00 12.20 H new ATOM 0 HH21 ARG A 18 -25.425 31.798 -38.143 1.00 21.50 H new ATOM 0 HH22 ARG A 18 -26.999 32.321 -37.533 1.00 21.50 H new ATOM 238 N GLY A 19 -21.825 28.181 -41.130 1.00 32.32 N ATOM 239 CA GLY A 19 -20.782 27.497 -40.376 1.00 23.21 C ATOM 240 C GLY A 19 -20.298 28.316 -39.186 1.00 64.34 C ATOM 241 O GLY A 19 -19.377 29.128 -39.323 1.00 20.04 O ATOM 0 H GLY A 19 -22.166 29.034 -40.687 1.00 32.32 H new ATOM 0 HA2 GLY A 19 -21.161 26.538 -40.024 1.00 23.21 H new ATOM 0 HA3 GLY A 19 -19.940 27.285 -41.035 1.00 23.21 H new ATOM 245 N ALA A 20 -20.944 28.120 -38.023 1.00 21.32 N ATOM 246 CA ALA A 20 -20.575 28.807 -36.775 1.00 21.32 C ATOM 247 C ALA A 20 -19.335 28.147 -36.160 1.00 44.41 C ATOM 248 O ALA A 20 -19.407 27.000 -35.698 1.00 75.23 O ATOM 249 CB ALA A 20 -21.749 28.800 -35.778 1.00 12.02 C ATOM 0 H ALA A 20 -21.734 27.483 -37.923 1.00 21.32 H new ATOM 0 HA ALA A 20 -20.340 29.846 -37.006 1.00 21.32 H new ATOM 0 HB1 ALA A 20 -21.453 29.313 -34.863 1.00 12.02 H new ATOM 0 HB2 ALA A 20 -22.605 29.311 -36.220 1.00 12.02 H new ATOM 0 HB3 ALA A 20 -22.022 27.771 -35.544 1.00 12.02 H new ATOM 255 N SER A 21 -18.196 28.856 -36.210 1.00 22.02 N ATOM 256 CA SER A 21 -16.938 28.405 -35.603 1.00 3.10 C ATOM 257 C SER A 21 -16.971 28.622 -34.078 1.00 44.00 C ATOM 258 O SER A 21 -16.410 29.593 -33.546 1.00 10.03 O ATOM 259 CB SER A 21 -15.736 29.133 -36.262 1.00 32.33 C ATOM 260 OG SER A 21 -15.694 28.894 -37.660 1.00 62.31 O ATOM 0 H SER A 21 -18.124 29.761 -36.675 1.00 22.02 H new ATOM 0 HA SER A 21 -16.817 27.336 -35.780 1.00 3.10 H new ATOM 0 HB2 SER A 21 -15.810 30.204 -36.076 1.00 32.33 H new ATOM 0 HB3 SER A 21 -14.807 28.793 -35.804 1.00 32.33 H new ATOM 0 HG SER A 21 -14.928 29.366 -38.050 1.00 62.31 H new ATOM 266 N GLN A 22 -17.675 27.714 -33.386 1.00 43.11 N ATOM 267 CA GLN A 22 -17.886 27.780 -31.929 1.00 0.51 C ATOM 268 C GLN A 22 -17.079 26.676 -31.216 1.00 72.33 C ATOM 269 O GLN A 22 -17.116 25.516 -31.627 1.00 30.01 O ATOM 270 CB GLN A 22 -19.417 27.720 -31.613 1.00 21.23 C ATOM 271 CG GLN A 22 -20.244 26.567 -32.263 1.00 53.13 C ATOM 272 CD GLN A 22 -20.404 25.305 -31.393 1.00 10.53 C ATOM 273 OE1 GLN A 22 -21.316 25.223 -30.567 1.00 32.43 O ATOM 274 NE2 GLN A 22 -19.564 24.303 -31.595 1.00 61.45 N ATOM 0 H GLN A 22 -18.118 26.906 -33.824 1.00 43.11 H new ATOM 0 HA GLN A 22 -17.515 28.730 -31.543 1.00 0.51 H new ATOM 0 HB2 GLN A 22 -19.534 27.649 -30.532 1.00 21.23 H new ATOM 0 HB3 GLN A 22 -19.861 28.667 -31.921 1.00 21.23 H new ATOM 0 HG2 GLN A 22 -21.235 26.947 -32.510 1.00 53.13 H new ATOM 0 HG3 GLN A 22 -19.768 26.284 -33.202 1.00 53.13 H new ATOM 0 HE21 GLN A 22 -18.817 24.394 -32.284 1.00 61.45 H new ATOM 0 HE22 GLN A 22 -19.663 23.439 -31.062 1.00 61.45 H new ATOM 283 N LYS A 23 -16.316 27.073 -30.175 1.00 73.11 N ATOM 284 CA LYS A 23 -15.479 26.156 -29.374 1.00 44.52 C ATOM 285 C LYS A 23 -14.858 26.921 -28.191 1.00 23.24 C ATOM 286 O LYS A 23 -13.925 27.708 -28.389 1.00 62.14 O ATOM 287 CB LYS A 23 -14.356 25.498 -30.244 1.00 52.10 C ATOM 288 CG LYS A 23 -13.487 24.455 -29.499 1.00 33.35 C ATOM 289 CD LYS A 23 -12.406 23.809 -30.401 1.00 34.01 C ATOM 290 CE LYS A 23 -11.400 24.828 -30.956 1.00 65.03 C ATOM 291 NZ LYS A 23 -10.325 24.172 -31.751 1.00 22.32 N ATOM 0 H LYS A 23 -16.264 28.044 -29.866 1.00 73.11 H new ATOM 0 HA LYS A 23 -16.115 25.356 -28.996 1.00 44.52 H new ATOM 0 HB2 LYS A 23 -14.818 25.016 -31.106 1.00 52.10 H new ATOM 0 HB3 LYS A 23 -13.706 26.284 -30.629 1.00 52.10 H new ATOM 0 HG2 LYS A 23 -13.003 24.935 -28.649 1.00 33.35 H new ATOM 0 HG3 LYS A 23 -14.132 23.673 -29.098 1.00 33.35 H new ATOM 0 HD2 LYS A 23 -11.870 23.051 -29.830 1.00 34.01 H new ATOM 0 HD3 LYS A 23 -12.892 23.297 -31.232 1.00 34.01 H new ATOM 0 HE2 LYS A 23 -11.924 25.551 -31.581 1.00 65.03 H new ATOM 0 HE3 LYS A 23 -10.954 25.384 -30.131 1.00 65.03 H new ATOM 0 HZ1 LYS A 23 -9.667 24.894 -32.108 1.00 22.32 H new ATOM 0 HZ2 LYS A 23 -9.808 23.500 -31.148 1.00 22.32 H new ATOM 0 HZ3 LYS A 23 -10.748 23.663 -32.553 1.00 22.32 H new ATOM 305 N LYS A 24 -15.425 26.718 -26.983 1.00 31.44 N ATOM 306 CA LYS A 24 -14.848 27.215 -25.708 1.00 63.30 C ATOM 307 C LYS A 24 -15.617 26.637 -24.510 1.00 62.32 C ATOM 308 O LYS A 24 -16.784 26.247 -24.646 1.00 0.21 O ATOM 309 CB LYS A 24 -14.827 28.770 -25.626 1.00 13.04 C ATOM 310 CG LYS A 24 -16.205 29.453 -25.517 1.00 52.43 C ATOM 311 CD LYS A 24 -16.089 30.994 -25.457 1.00 42.05 C ATOM 312 CE LYS A 24 -17.440 31.680 -25.227 1.00 0.32 C ATOM 313 NZ LYS A 24 -18.010 31.378 -23.883 1.00 3.31 N ATOM 0 H LYS A 24 -16.298 26.204 -26.860 1.00 31.44 H new ATOM 0 HA LYS A 24 -13.813 26.875 -25.677 1.00 63.30 H new ATOM 0 HB2 LYS A 24 -14.228 29.062 -24.763 1.00 13.04 H new ATOM 0 HB3 LYS A 24 -14.320 29.155 -26.511 1.00 13.04 H new ATOM 0 HG2 LYS A 24 -16.818 29.169 -26.372 1.00 52.43 H new ATOM 0 HG3 LYS A 24 -16.717 29.094 -24.625 1.00 52.43 H new ATOM 0 HD2 LYS A 24 -15.404 31.272 -24.656 1.00 42.05 H new ATOM 0 HD3 LYS A 24 -15.655 31.358 -26.388 1.00 42.05 H new ATOM 0 HE2 LYS A 24 -17.320 32.758 -25.334 1.00 0.32 H new ATOM 0 HE3 LYS A 24 -18.142 31.360 -25.997 1.00 0.32 H new ATOM 0 HZ1 LYS A 24 -18.851 31.968 -23.722 1.00 3.31 H new ATOM 0 HZ2 LYS A 24 -18.277 30.374 -23.837 1.00 3.31 H new ATOM 0 HZ3 LYS A 24 -17.300 31.581 -23.151 1.00 3.31 H new ATOM 327 N GLY A 25 -14.943 26.586 -23.345 1.00 1.43 N ATOM 328 CA GLY A 25 -15.547 26.098 -22.098 1.00 74.51 C ATOM 329 C GLY A 25 -15.973 24.633 -22.175 1.00 53.24 C ATOM 330 O GLY A 25 -17.053 24.270 -21.700 1.00 54.24 O ATOM 0 H GLY A 25 -13.972 26.880 -23.246 1.00 1.43 H new ATOM 0 HA2 GLY A 25 -14.834 26.221 -21.283 1.00 74.51 H new ATOM 0 HA3 GLY A 25 -16.415 26.711 -21.857 1.00 74.51 H new ATOM 334 N GLY A 26 -15.114 23.803 -22.796 1.00 64.11 N ATOM 335 CA GLY A 26 -15.348 22.364 -22.937 1.00 64.24 C ATOM 336 C GLY A 26 -14.849 21.603 -21.719 1.00 51.22 C ATOM 337 O GLY A 26 -13.959 20.746 -21.818 1.00 41.50 O ATOM 0 H GLY A 26 -14.238 24.118 -23.213 1.00 64.11 H new ATOM 0 HA2 GLY A 26 -16.413 22.178 -23.074 1.00 64.24 H new ATOM 0 HA3 GLY A 26 -14.843 21.997 -23.830 1.00 64.24 H new ATOM 341 N GLU A 27 -15.440 21.943 -20.571 1.00 70.31 N ATOM 342 CA GLU A 27 -15.039 21.451 -19.255 1.00 71.40 C ATOM 343 C GLU A 27 -16.206 21.726 -18.279 1.00 4.24 C ATOM 344 O GLU A 27 -16.330 22.858 -17.777 1.00 35.43 O ATOM 345 CB GLU A 27 -13.735 22.173 -18.794 1.00 64.21 C ATOM 346 CG GLU A 27 -13.151 21.674 -17.457 1.00 72.34 C ATOM 347 CD GLU A 27 -12.019 22.575 -16.926 1.00 43.40 C ATOM 348 OE1 GLU A 27 -10.883 22.491 -17.438 1.00 64.31 O ATOM 349 OE2 GLU A 27 -12.270 23.398 -16.021 1.00 3.03 O ATOM 0 H GLU A 27 -16.231 22.585 -20.532 1.00 70.31 H new ATOM 0 HA GLU A 27 -14.827 20.382 -19.284 1.00 71.40 H new ATOM 0 HB2 GLU A 27 -12.979 22.055 -19.570 1.00 64.21 H new ATOM 0 HB3 GLU A 27 -13.940 23.240 -18.708 1.00 64.21 H new ATOM 0 HG2 GLU A 27 -13.947 21.623 -16.714 1.00 72.34 H new ATOM 0 HG3 GLU A 27 -12.772 20.661 -17.587 1.00 72.34 H new ATOM 356 N PRO A 28 -17.148 20.740 -18.078 1.00 10.52 N ATOM 357 CA PRO A 28 -18.211 20.863 -17.054 1.00 43.02 C ATOM 358 C PRO A 28 -17.583 21.017 -15.644 1.00 34.41 C ATOM 359 O PRO A 28 -16.678 20.240 -15.295 1.00 44.14 O ATOM 360 CB PRO A 28 -19.028 19.542 -17.205 1.00 25.21 C ATOM 361 CG PRO A 28 -18.133 18.602 -17.957 1.00 41.34 C ATOM 362 CD PRO A 28 -17.279 19.472 -18.852 1.00 33.04 C ATOM 0 HA PRO A 28 -18.844 21.741 -17.182 1.00 43.02 H new ATOM 0 HB2 PRO A 28 -19.297 19.133 -16.231 1.00 25.21 H new ATOM 0 HB3 PRO A 28 -19.958 19.715 -17.746 1.00 25.21 H new ATOM 0 HG2 PRO A 28 -17.515 18.020 -17.273 1.00 41.34 H new ATOM 0 HG3 PRO A 28 -18.716 17.892 -18.543 1.00 41.34 H new ATOM 0 HD2 PRO A 28 -16.307 19.017 -19.046 1.00 33.04 H new ATOM 0 HD3 PRO A 28 -17.752 19.639 -19.820 1.00 33.04 H new ATOM 370 N PRO A 29 -18.017 22.041 -14.831 1.00 34.12 N ATOM 371 CA PRO A 29 -17.401 22.332 -13.522 1.00 64.21 C ATOM 372 C PRO A 29 -17.645 21.185 -12.525 1.00 21.55 C ATOM 373 O PRO A 29 -18.712 21.096 -11.906 1.00 31.51 O ATOM 374 CB PRO A 29 -18.073 23.669 -13.094 1.00 54.13 C ATOM 375 CG PRO A 29 -19.381 23.696 -13.818 1.00 64.11 C ATOM 376 CD PRO A 29 -19.144 22.971 -15.129 1.00 0.21 C ATOM 0 HA PRO A 29 -16.315 22.422 -13.560 1.00 64.21 H new ATOM 0 HB2 PRO A 29 -18.219 23.709 -12.015 1.00 54.13 H new ATOM 0 HB3 PRO A 29 -17.455 24.525 -13.364 1.00 54.13 H new ATOM 0 HG2 PRO A 29 -20.160 23.205 -13.235 1.00 64.11 H new ATOM 0 HG3 PRO A 29 -19.710 24.720 -13.992 1.00 64.11 H new ATOM 0 HD2 PRO A 29 -20.033 22.429 -15.452 1.00 0.21 H new ATOM 0 HD3 PRO A 29 -18.887 23.666 -15.928 1.00 0.21 H new ATOM 384 N ALA A 30 -16.656 20.271 -12.451 1.00 11.31 N ATOM 385 CA ALA A 30 -16.703 19.087 -11.584 1.00 32.33 C ATOM 386 C ALA A 30 -16.767 19.521 -10.109 1.00 3.42 C ATOM 387 O ALA A 30 -15.744 19.830 -9.487 1.00 72.53 O ATOM 388 CB ALA A 30 -15.495 18.173 -11.868 1.00 12.34 C ATOM 0 H ALA A 30 -15.798 20.339 -12.998 1.00 11.31 H new ATOM 0 HA ALA A 30 -17.603 18.511 -11.798 1.00 32.33 H new ATOM 0 HB1 ALA A 30 -15.540 17.298 -11.219 1.00 12.34 H new ATOM 0 HB2 ALA A 30 -15.517 17.854 -12.910 1.00 12.34 H new ATOM 0 HB3 ALA A 30 -14.572 18.720 -11.676 1.00 12.34 H new ATOM 394 N LEU A 31 -18.003 19.608 -9.598 1.00 50.51 N ATOM 395 CA LEU A 31 -18.310 20.158 -8.276 1.00 52.52 C ATOM 396 C LEU A 31 -18.343 19.026 -7.230 1.00 12.43 C ATOM 397 O LEU A 31 -19.346 18.309 -7.106 1.00 1.24 O ATOM 398 CB LEU A 31 -19.667 20.923 -8.338 1.00 75.02 C ATOM 399 CG LEU A 31 -20.077 21.721 -7.058 1.00 21.21 C ATOM 400 CD1 LEU A 31 -19.071 22.844 -6.739 1.00 34.13 C ATOM 401 CD2 LEU A 31 -21.520 22.267 -7.178 1.00 20.41 C ATOM 0 H LEU A 31 -18.831 19.292 -10.103 1.00 50.51 H new ATOM 0 HA LEU A 31 -17.534 20.862 -7.976 1.00 52.52 H new ATOM 0 HB2 LEU A 31 -19.628 21.619 -9.176 1.00 75.02 H new ATOM 0 HB3 LEU A 31 -20.455 20.203 -8.558 1.00 75.02 H new ATOM 0 HG LEU A 31 -20.056 21.026 -6.219 1.00 21.21 H new ATOM 0 HD11 LEU A 31 -19.391 23.375 -5.843 1.00 34.13 H new ATOM 0 HD12 LEU A 31 -18.084 22.412 -6.572 1.00 34.13 H new ATOM 0 HD13 LEU A 31 -19.025 23.540 -7.577 1.00 34.13 H new ATOM 0 HD21 LEU A 31 -21.777 22.817 -6.273 1.00 20.41 H new ATOM 0 HD22 LEU A 31 -21.587 22.932 -8.039 1.00 20.41 H new ATOM 0 HD23 LEU A 31 -22.214 21.436 -7.307 1.00 20.41 H new ATOM 413 N ILE A 32 -17.212 18.845 -6.519 1.00 22.21 N ATOM 414 CA ILE A 32 -17.095 17.864 -5.425 1.00 15.43 C ATOM 415 C ILE A 32 -17.838 18.408 -4.187 1.00 22.44 C ATOM 416 O ILE A 32 -17.298 19.205 -3.417 1.00 41.23 O ATOM 417 CB ILE A 32 -15.581 17.483 -5.081 1.00 21.52 C ATOM 418 CG1 ILE A 32 -14.903 16.662 -6.241 1.00 73.21 C ATOM 419 CG2 ILE A 32 -15.474 16.689 -3.740 1.00 2.13 C ATOM 420 CD1 ILE A 32 -14.631 17.420 -7.538 1.00 23.03 C ATOM 0 H ILE A 32 -16.357 19.374 -6.688 1.00 22.21 H new ATOM 0 HA ILE A 32 -17.556 16.933 -5.754 1.00 15.43 H new ATOM 0 HB ILE A 32 -15.047 18.427 -4.970 1.00 21.52 H new ATOM 0 HG12 ILE A 32 -13.957 16.266 -5.872 1.00 73.21 H new ATOM 0 HG13 ILE A 32 -15.539 15.807 -6.471 1.00 73.21 H new ATOM 0 HG21 ILE A 32 -14.429 16.449 -3.542 1.00 2.13 H new ATOM 0 HG22 ILE A 32 -15.868 17.296 -2.925 1.00 2.13 H new ATOM 0 HG23 ILE A 32 -16.050 15.767 -3.816 1.00 2.13 H new ATOM 0 HD11 ILE A 32 -14.163 16.750 -8.260 1.00 23.03 H new ATOM 0 HD12 ILE A 32 -15.571 17.793 -7.945 1.00 23.03 H new ATOM 0 HD13 ILE A 32 -13.965 18.259 -7.336 1.00 23.03 H new ATOM 432 N VAL A 33 -19.124 18.033 -4.077 1.00 45.12 N ATOM 433 CA VAL A 33 -19.942 18.239 -2.862 1.00 4.32 C ATOM 434 C VAL A 33 -19.824 16.976 -1.957 1.00 44.42 C ATOM 435 O VAL A 33 -20.365 16.919 -0.854 1.00 54.42 O ATOM 436 CB VAL A 33 -21.447 18.554 -3.254 1.00 11.53 C ATOM 437 CG1 VAL A 33 -22.332 18.888 -2.025 1.00 61.14 C ATOM 438 CG2 VAL A 33 -21.502 19.697 -4.294 1.00 3.14 C ATOM 0 H VAL A 33 -19.632 17.574 -4.833 1.00 45.12 H new ATOM 0 HA VAL A 33 -19.576 19.100 -2.303 1.00 4.32 H new ATOM 0 HB VAL A 33 -21.858 17.646 -3.695 1.00 11.53 H new ATOM 0 HG11 VAL A 33 -23.350 19.094 -2.355 1.00 61.14 H new ATOM 0 HG12 VAL A 33 -22.338 18.040 -1.340 1.00 61.14 H new ATOM 0 HG13 VAL A 33 -21.931 19.764 -1.515 1.00 61.14 H new ATOM 0 HG21 VAL A 33 -22.540 19.903 -4.554 1.00 3.14 H new ATOM 0 HG22 VAL A 33 -21.049 20.594 -3.873 1.00 3.14 H new ATOM 0 HG23 VAL A 33 -20.956 19.401 -5.189 1.00 3.14 H new ATOM 448 N ASP A 34 -19.062 15.983 -2.459 1.00 53.55 N ATOM 449 CA ASP A 34 -18.699 14.746 -1.743 1.00 50.35 C ATOM 450 C ASP A 34 -17.977 15.079 -0.405 1.00 63.51 C ATOM 451 O ASP A 34 -17.186 16.027 -0.381 1.00 44.21 O ATOM 452 CB ASP A 34 -17.768 13.898 -2.669 1.00 61.13 C ATOM 453 CG ASP A 34 -17.513 12.462 -2.170 1.00 74.24 C ATOM 454 OD1 ASP A 34 -16.620 12.251 -1.317 1.00 62.13 O ATOM 455 OD2 ASP A 34 -18.216 11.537 -2.628 1.00 50.22 O ATOM 0 H ASP A 34 -18.672 16.022 -3.401 1.00 53.55 H new ATOM 0 HA ASP A 34 -19.599 14.181 -1.501 1.00 50.35 H new ATOM 0 HB2 ASP A 34 -18.210 13.851 -3.664 1.00 61.13 H new ATOM 0 HB3 ASP A 34 -16.811 14.410 -2.769 1.00 61.13 H new ATOM 460 N PRO A 35 -18.253 14.316 0.714 1.00 65.40 N ATOM 461 CA PRO A 35 -17.593 14.502 2.045 1.00 61.12 C ATOM 462 C PRO A 35 -16.060 14.705 1.964 1.00 71.11 C ATOM 463 O PRO A 35 -15.499 15.481 2.760 1.00 72.22 O ATOM 464 CB PRO A 35 -17.950 13.188 2.815 1.00 64.33 C ATOM 465 CG PRO A 35 -18.618 12.293 1.804 1.00 64.05 C ATOM 466 CD PRO A 35 -19.250 13.224 0.797 1.00 3.44 C ATOM 0 HA PRO A 35 -17.943 15.411 2.535 1.00 61.12 H new ATOM 0 HB2 PRO A 35 -17.055 12.718 3.224 1.00 64.33 H new ATOM 0 HB3 PRO A 35 -18.614 13.394 3.655 1.00 64.33 H new ATOM 0 HG2 PRO A 35 -17.895 11.631 1.327 1.00 64.05 H new ATOM 0 HG3 PRO A 35 -19.368 11.658 2.276 1.00 64.05 H new ATOM 0 HD2 PRO A 35 -19.403 12.738 -0.167 1.00 3.44 H new ATOM 0 HD3 PRO A 35 -20.223 13.585 1.130 1.00 3.44 H new ATOM 474 N LEU A 36 -15.419 13.981 1.005 1.00 64.33 N ATOM 475 CA LEU A 36 -13.983 14.113 0.640 1.00 20.11 C ATOM 476 C LEU A 36 -13.061 13.418 1.671 1.00 72.31 C ATOM 477 O LEU A 36 -12.226 12.591 1.282 1.00 45.42 O ATOM 478 CB LEU A 36 -13.575 15.618 0.375 1.00 53.41 C ATOM 479 CG LEU A 36 -12.153 15.910 -0.246 1.00 70.23 C ATOM 480 CD1 LEU A 36 -12.130 17.282 -0.963 1.00 71.13 C ATOM 481 CD2 LEU A 36 -11.026 15.856 0.820 1.00 23.24 C ATOM 0 H LEU A 36 -15.900 13.272 0.452 1.00 64.33 H new ATOM 0 HA LEU A 36 -13.841 13.588 -0.304 1.00 20.11 H new ATOM 0 HB2 LEU A 36 -14.323 16.053 -0.288 1.00 53.41 H new ATOM 0 HB3 LEU A 36 -13.640 16.152 1.323 1.00 53.41 H new ATOM 0 HG LEU A 36 -11.964 15.122 -0.975 1.00 70.23 H new ATOM 0 HD11 LEU A 36 -11.139 17.457 -1.381 1.00 71.13 H new ATOM 0 HD12 LEU A 36 -12.868 17.286 -1.765 1.00 71.13 H new ATOM 0 HD13 LEU A 36 -12.367 18.070 -0.248 1.00 71.13 H new ATOM 0 HD21 LEU A 36 -10.067 16.063 0.346 1.00 23.24 H new ATOM 0 HD22 LEU A 36 -11.218 16.602 1.591 1.00 23.24 H new ATOM 0 HD23 LEU A 36 -11.001 14.865 1.273 1.00 23.24 H new ATOM 493 N MET A 37 -13.197 13.784 2.971 1.00 62.42 N ATOM 494 CA MET A 37 -12.363 13.261 4.087 1.00 54.54 C ATOM 495 C MET A 37 -12.470 11.724 4.219 1.00 3.03 C ATOM 496 O MET A 37 -13.317 11.188 4.953 1.00 2.00 O ATOM 497 CB MET A 37 -12.758 13.963 5.418 1.00 53.10 C ATOM 498 CG MET A 37 -12.011 13.457 6.666 1.00 45.15 C ATOM 499 SD MET A 37 -10.221 13.628 6.525 1.00 53.42 S ATOM 500 CE MET A 37 -9.673 12.856 8.045 1.00 65.03 C ATOM 0 H MET A 37 -13.897 14.459 3.279 1.00 62.42 H new ATOM 0 HA MET A 37 -11.321 13.487 3.862 1.00 54.54 H new ATOM 0 HB2 MET A 37 -12.578 15.033 5.314 1.00 53.10 H new ATOM 0 HB3 MET A 37 -13.829 13.833 5.576 1.00 53.10 H new ATOM 0 HG2 MET A 37 -12.357 14.009 7.540 1.00 45.15 H new ATOM 0 HG3 MET A 37 -12.259 12.409 6.833 1.00 45.15 H new ATOM 0 HE1 MET A 37 -8.585 12.887 8.097 1.00 65.03 H new ATOM 0 HE2 MET A 37 -10.093 13.391 8.897 1.00 65.03 H new ATOM 0 HE3 MET A 37 -10.008 11.819 8.068 1.00 65.03 H new ATOM 510 N LYS A 38 -11.627 11.031 3.439 1.00 2.30 N ATOM 511 CA LYS A 38 -11.529 9.559 3.399 1.00 51.11 C ATOM 512 C LYS A 38 -10.088 9.165 3.068 1.00 22.33 C ATOM 513 O LYS A 38 -9.310 9.995 2.578 1.00 70.53 O ATOM 514 CB LYS A 38 -12.496 8.948 2.336 1.00 44.14 C ATOM 515 CG LYS A 38 -13.996 9.181 2.609 1.00 44.41 C ATOM 516 CD LYS A 38 -14.921 8.532 1.559 1.00 12.41 C ATOM 517 CE LYS A 38 -16.402 8.817 1.852 1.00 40.45 C ATOM 518 NZ LYS A 38 -16.812 8.349 3.207 1.00 45.32 N ATOM 0 H LYS A 38 -10.976 11.488 2.801 1.00 2.30 H new ATOM 0 HA LYS A 38 -11.816 9.168 4.375 1.00 51.11 H new ATOM 0 HB2 LYS A 38 -12.250 9.367 1.360 1.00 44.14 H new ATOM 0 HB3 LYS A 38 -12.315 7.875 2.277 1.00 44.14 H new ATOM 0 HG2 LYS A 38 -14.244 8.785 3.594 1.00 44.41 H new ATOM 0 HG3 LYS A 38 -14.189 10.253 2.639 1.00 44.41 H new ATOM 0 HD2 LYS A 38 -14.667 8.909 0.568 1.00 12.41 H new ATOM 0 HD3 LYS A 38 -14.754 7.455 1.543 1.00 12.41 H new ATOM 0 HE2 LYS A 38 -16.587 9.888 1.769 1.00 40.45 H new ATOM 0 HE3 LYS A 38 -17.020 8.328 1.099 1.00 40.45 H new ATOM 0 HZ1 LYS A 38 -17.847 8.407 3.296 1.00 45.32 H new ATOM 0 HZ2 LYS A 38 -16.507 7.364 3.341 1.00 45.32 H new ATOM 0 HZ3 LYS A 38 -16.368 8.950 3.931 1.00 45.32 H new ATOM 532 N TYR A 39 -9.744 7.899 3.345 1.00 41.22 N ATOM 533 CA TYR A 39 -8.432 7.340 2.998 1.00 13.24 C ATOM 534 C TYR A 39 -8.331 7.172 1.469 1.00 24.45 C ATOM 535 O TYR A 39 -7.631 7.956 0.806 1.00 43.13 O ATOM 536 CB TYR A 39 -8.195 5.997 3.751 1.00 71.22 C ATOM 537 CG TYR A 39 -8.060 6.152 5.275 1.00 12.20 C ATOM 538 CD1 TYR A 39 -6.902 6.697 5.834 1.00 61.42 C ATOM 539 CD2 TYR A 39 -9.071 5.747 6.144 1.00 74.02 C ATOM 540 CE1 TYR A 39 -6.766 6.836 7.202 1.00 72.12 C ATOM 541 CE2 TYR A 39 -8.939 5.884 7.512 1.00 2.53 C ATOM 542 CZ TYR A 39 -7.784 6.426 8.034 1.00 13.51 C ATOM 543 OH TYR A 39 -7.652 6.554 9.399 1.00 34.35 O ATOM 0 H TYR A 39 -10.364 7.238 3.813 1.00 41.22 H new ATOM 0 HA TYR A 39 -7.646 8.026 3.314 1.00 13.24 H new ATOM 0 HB2 TYR A 39 -9.022 5.321 3.536 1.00 71.22 H new ATOM 0 HB3 TYR A 39 -7.291 5.528 3.362 1.00 71.22 H new ATOM 0 HD1 TYR A 39 -6.099 7.015 5.186 1.00 61.42 H new ATOM 0 HD2 TYR A 39 -9.976 5.317 5.740 1.00 74.02 H new ATOM 0 HE1 TYR A 39 -5.865 7.264 7.617 1.00 72.12 H new ATOM 0 HE2 TYR A 39 -9.736 5.568 8.169 1.00 2.53 H new ATOM 0 HH TYR A 39 -8.461 6.218 9.839 1.00 34.35 H new ATOM 553 N ILE A 40 -9.071 6.161 0.952 1.00 43.11 N ATOM 554 CA ILE A 40 -9.214 5.847 -0.498 1.00 74.24 C ATOM 555 C ILE A 40 -7.868 5.432 -1.137 1.00 23.32 C ATOM 556 O ILE A 40 -6.895 6.176 -1.063 1.00 71.11 O ATOM 557 CB ILE A 40 -9.854 7.043 -1.311 1.00 71.42 C ATOM 558 CG1 ILE A 40 -11.309 7.313 -0.832 1.00 73.14 C ATOM 559 CG2 ILE A 40 -9.816 6.799 -2.841 1.00 23.33 C ATOM 560 CD1 ILE A 40 -12.010 8.471 -1.536 1.00 62.34 C ATOM 0 H ILE A 40 -9.601 5.522 1.545 1.00 43.11 H new ATOM 0 HA ILE A 40 -9.896 4.998 -0.553 1.00 74.24 H new ATOM 0 HB ILE A 40 -9.249 7.928 -1.114 1.00 71.42 H new ATOM 0 HG12 ILE A 40 -11.898 6.408 -0.977 1.00 73.14 H new ATOM 0 HG13 ILE A 40 -11.292 7.514 0.239 1.00 73.14 H new ATOM 0 HG21 ILE A 40 -10.267 7.647 -3.356 1.00 23.33 H new ATOM 0 HG22 ILE A 40 -8.782 6.685 -3.166 1.00 23.33 H new ATOM 0 HG23 ILE A 40 -10.373 5.893 -3.079 1.00 23.33 H new ATOM 0 HD11 ILE A 40 -13.018 8.583 -1.136 1.00 62.34 H new ATOM 0 HD12 ILE A 40 -11.449 9.391 -1.370 1.00 62.34 H new ATOM 0 HD13 ILE A 40 -12.064 8.267 -2.605 1.00 62.34 H new ATOM 572 N CYS A 41 -7.842 4.269 -1.822 1.00 63.53 N ATOM 573 CA CYS A 41 -6.655 3.799 -2.540 1.00 23.02 C ATOM 574 C CYS A 41 -6.294 4.815 -3.639 1.00 3.31 C ATOM 575 O CYS A 41 -6.988 4.919 -4.656 1.00 30.35 O ATOM 576 CB CYS A 41 -6.912 2.411 -3.135 1.00 43.43 C ATOM 577 SG CYS A 41 -5.502 1.708 -4.054 1.00 35.02 S ATOM 0 H CYS A 41 -8.641 3.639 -1.888 1.00 63.53 H new ATOM 0 HA CYS A 41 -5.816 3.715 -1.849 1.00 23.02 H new ATOM 0 HB2 CYS A 41 -7.180 1.728 -2.329 1.00 43.43 H new ATOM 0 HB3 CYS A 41 -7.772 2.469 -3.803 1.00 43.43 H new ATOM 582 N HIS A 42 -5.221 5.569 -3.376 1.00 32.55 N ATOM 583 CA HIS A 42 -4.752 6.703 -4.192 1.00 72.25 C ATOM 584 C HIS A 42 -4.343 6.268 -5.626 1.00 61.31 C ATOM 585 O HIS A 42 -4.209 7.104 -6.525 1.00 61.32 O ATOM 586 CB HIS A 42 -3.566 7.368 -3.431 1.00 1.33 C ATOM 587 CG HIS A 42 -3.102 8.710 -3.933 1.00 51.43 C ATOM 588 ND1 HIS A 42 -1.851 9.199 -3.646 1.00 4.14 N ATOM 589 CD2 HIS A 42 -3.712 9.661 -4.683 1.00 35.24 C ATOM 590 CE1 HIS A 42 -1.705 10.384 -4.186 1.00 3.12 C ATOM 591 NE2 HIS A 42 -2.820 10.696 -4.821 1.00 32.52 N ATOM 0 H HIS A 42 -4.631 5.403 -2.560 1.00 32.55 H new ATOM 0 HA HIS A 42 -5.563 7.418 -4.329 1.00 72.25 H new ATOM 0 HB2 HIS A 42 -3.853 7.478 -2.385 1.00 1.33 H new ATOM 0 HB3 HIS A 42 -2.718 6.683 -3.459 1.00 1.33 H new ATOM 0 HD1 HIS A 42 -1.143 8.713 -3.096 1.00 4.14 H new ATOM 0 HD2 HIS A 42 -4.710 9.613 -5.094 1.00 35.24 H new ATOM 0 HE1 HIS A 42 -0.821 11.002 -4.122 1.00 3.12 H new ATOM 600 N ILE A 43 -4.173 4.946 -5.832 1.00 24.30 N ATOM 601 CA ILE A 43 -3.871 4.364 -7.155 1.00 44.24 C ATOM 602 C ILE A 43 -5.184 3.908 -7.854 1.00 41.52 C ATOM 603 O ILE A 43 -5.305 4.008 -9.073 1.00 73.12 O ATOM 604 CB ILE A 43 -2.845 3.170 -7.034 1.00 2.30 C ATOM 605 CG1 ILE A 43 -1.512 3.673 -6.374 1.00 22.02 C ATOM 606 CG2 ILE A 43 -2.572 2.503 -8.412 1.00 52.43 C ATOM 607 CD1 ILE A 43 -0.408 2.636 -6.272 1.00 4.22 C ATOM 0 H ILE A 43 -4.241 4.253 -5.087 1.00 24.30 H new ATOM 0 HA ILE A 43 -3.403 5.133 -7.769 1.00 44.24 H new ATOM 0 HB ILE A 43 -3.287 2.406 -6.394 1.00 2.30 H new ATOM 0 HG12 ILE A 43 -1.139 4.521 -6.948 1.00 22.02 H new ATOM 0 HG13 ILE A 43 -1.737 4.040 -5.373 1.00 22.02 H new ATOM 0 HG21 ILE A 43 -1.861 1.686 -8.286 1.00 52.43 H new ATOM 0 HG22 ILE A 43 -3.505 2.113 -8.819 1.00 52.43 H new ATOM 0 HG23 ILE A 43 -2.158 3.242 -9.098 1.00 52.43 H new ATOM 0 HD11 ILE A 43 0.469 3.083 -5.803 1.00 4.22 H new ATOM 0 HD12 ILE A 43 -0.753 1.795 -5.670 1.00 4.22 H new ATOM 0 HD13 ILE A 43 -0.146 2.285 -7.270 1.00 4.22 H new ATOM 619 N CYS A 44 -6.168 3.419 -7.071 1.00 3.13 N ATOM 620 CA CYS A 44 -7.469 2.945 -7.613 1.00 12.45 C ATOM 621 C CYS A 44 -8.429 4.114 -7.891 1.00 20.01 C ATOM 622 O CYS A 44 -9.367 3.959 -8.689 1.00 24.41 O ATOM 623 CB CYS A 44 -8.131 1.953 -6.621 1.00 70.04 C ATOM 624 SG CYS A 44 -7.187 0.421 -6.382 1.00 31.02 S ATOM 0 H CYS A 44 -6.090 3.340 -6.057 1.00 3.13 H new ATOM 0 HA CYS A 44 -7.267 2.441 -8.558 1.00 12.45 H new ATOM 0 HB2 CYS A 44 -8.256 2.446 -5.657 1.00 70.04 H new ATOM 0 HB3 CYS A 44 -9.128 1.702 -6.983 1.00 70.04 H new ATOM 0 HG CYS A 44 -6.130 0.670 -5.667 1.00 31.02 H new ATOM 629 N ASN A 45 -8.219 5.243 -7.166 1.00 72.12 N ATOM 630 CA ASN A 45 -9.112 6.443 -7.152 1.00 11.13 C ATOM 631 C ASN A 45 -10.409 6.191 -6.330 1.00 22.10 C ATOM 632 O ASN A 45 -11.029 7.140 -5.836 1.00 4.31 O ATOM 633 CB ASN A 45 -9.426 6.958 -8.592 1.00 11.23 C ATOM 634 CG ASN A 45 -10.297 8.214 -8.632 1.00 71.22 C ATOM 635 OD1 ASN A 45 -9.797 9.337 -8.598 1.00 2.33 O ATOM 636 ND2 ASN A 45 -11.607 8.031 -8.709 1.00 50.52 N ATOM 0 H ASN A 45 -7.407 5.352 -6.559 1.00 72.12 H new ATOM 0 HA ASN A 45 -8.564 7.238 -6.646 1.00 11.13 H new ATOM 0 HB2 ASN A 45 -8.487 7.164 -9.105 1.00 11.23 H new ATOM 0 HB3 ASN A 45 -9.926 6.165 -9.149 1.00 11.23 H new ATOM 0 HD21 ASN A 45 -12.233 8.835 -8.742 1.00 50.52 H new ATOM 0 HD22 ASN A 45 -11.989 7.086 -8.735 1.00 50.52 H new ATOM 643 N ARG A 46 -10.817 4.913 -6.197 1.00 31.45 N ATOM 644 CA ARG A 46 -11.999 4.496 -5.423 1.00 14.23 C ATOM 645 C ARG A 46 -11.580 3.744 -4.146 1.00 22.34 C ATOM 646 O ARG A 46 -10.412 3.345 -3.989 1.00 43.11 O ATOM 647 CB ARG A 46 -12.913 3.603 -6.303 1.00 21.11 C ATOM 648 CG ARG A 46 -13.533 4.317 -7.528 1.00 53.22 C ATOM 649 CD ARG A 46 -14.447 3.390 -8.344 1.00 73.14 C ATOM 650 NE ARG A 46 -15.095 4.089 -9.466 1.00 51.14 N ATOM 651 CZ ARG A 46 -16.045 3.567 -10.261 1.00 24.24 C ATOM 652 NH1 ARG A 46 -16.485 2.316 -10.076 1.00 31.14 N ATOM 653 NH2 ARG A 46 -16.570 4.299 -11.236 1.00 54.35 N ATOM 0 H ARG A 46 -10.326 4.132 -6.631 1.00 31.45 H new ATOM 0 HA ARG A 46 -12.552 5.386 -5.123 1.00 14.23 H new ATOM 0 HB2 ARG A 46 -12.334 2.748 -6.653 1.00 21.11 H new ATOM 0 HB3 ARG A 46 -13.719 3.210 -5.683 1.00 21.11 H new ATOM 0 HG2 ARG A 46 -14.105 5.182 -7.191 1.00 53.22 H new ATOM 0 HG3 ARG A 46 -12.735 4.693 -8.169 1.00 53.22 H new ATOM 0 HD2 ARG A 46 -13.863 2.554 -8.729 1.00 73.14 H new ATOM 0 HD3 ARG A 46 -15.212 2.970 -7.690 1.00 73.14 H new ATOM 0 HE ARG A 46 -14.799 5.047 -9.655 1.00 51.14 H new ATOM 0 HH11 ARG A 46 -16.099 1.746 -9.324 1.00 31.14 H new ATOM 0 HH12 ARG A 46 -17.206 1.933 -10.687 1.00 31.14 H new ATOM 0 HH21 ARG A 46 -16.253 5.257 -11.382 1.00 54.35 H new ATOM 0 HH22 ARG A 46 -17.291 3.903 -11.839 1.00 54.35 H new ATOM 667 N GLY A 47 -12.560 3.551 -3.245 1.00 34.41 N ATOM 668 CA GLY A 47 -12.350 2.876 -1.959 1.00 1.52 C ATOM 669 C GLY A 47 -12.794 1.412 -1.964 1.00 21.33 C ATOM 670 O GLY A 47 -13.354 0.924 -0.970 1.00 32.35 O ATOM 0 H GLY A 47 -13.521 3.861 -3.392 1.00 34.41 H new ATOM 0 HA2 GLY A 47 -11.293 2.927 -1.698 1.00 1.52 H new ATOM 0 HA3 GLY A 47 -12.896 3.411 -1.182 1.00 1.52 H new ATOM 674 N ASP A 48 -12.520 0.701 -3.079 1.00 73.23 N ATOM 675 CA ASP A 48 -12.772 -0.761 -3.188 1.00 20.41 C ATOM 676 C ASP A 48 -11.746 -1.519 -2.335 1.00 23.45 C ATOM 677 O ASP A 48 -10.666 -0.981 -2.069 1.00 20.20 O ATOM 678 CB ASP A 48 -12.667 -1.247 -4.659 1.00 45.43 C ATOM 679 CG ASP A 48 -13.716 -0.609 -5.585 1.00 53.50 C ATOM 680 OD1 ASP A 48 -14.885 -1.060 -5.585 1.00 52.30 O ATOM 681 OD2 ASP A 48 -13.381 0.340 -6.319 1.00 45.22 O ATOM 0 H ASP A 48 -12.122 1.114 -3.923 1.00 73.23 H new ATOM 0 HA ASP A 48 -13.784 -0.957 -2.833 1.00 20.41 H new ATOM 0 HB2 ASP A 48 -11.671 -1.021 -5.039 1.00 45.43 H new ATOM 0 HB3 ASP A 48 -12.780 -2.331 -4.686 1.00 45.43 H new ATOM 686 N VAL A 49 -12.101 -2.763 -1.930 1.00 54.13 N ATOM 687 CA VAL A 49 -11.246 -3.678 -1.121 1.00 71.44 C ATOM 688 C VAL A 49 -10.539 -2.912 0.033 1.00 60.01 C ATOM 689 O VAL A 49 -9.302 -2.900 0.162 1.00 51.33 O ATOM 690 CB VAL A 49 -10.213 -4.479 -2.026 1.00 1.21 C ATOM 691 CG1 VAL A 49 -9.544 -5.647 -1.254 1.00 41.24 C ATOM 692 CG2 VAL A 49 -10.879 -4.992 -3.331 1.00 75.22 C ATOM 0 H VAL A 49 -13.008 -3.170 -2.159 1.00 54.13 H new ATOM 0 HA VAL A 49 -11.901 -4.421 -0.665 1.00 71.44 H new ATOM 0 HB VAL A 49 -9.427 -3.776 -2.300 1.00 1.21 H new ATOM 0 HG11 VAL A 49 -8.846 -6.166 -1.912 1.00 41.24 H new ATOM 0 HG12 VAL A 49 -9.005 -5.252 -0.392 1.00 41.24 H new ATOM 0 HG13 VAL A 49 -10.310 -6.345 -0.915 1.00 41.24 H new ATOM 0 HG21 VAL A 49 -10.144 -5.535 -3.925 1.00 75.22 H new ATOM 0 HG22 VAL A 49 -11.706 -5.657 -3.081 1.00 75.22 H new ATOM 0 HG23 VAL A 49 -11.255 -4.145 -3.905 1.00 75.22 H new ATOM 702 N GLU A 50 -11.370 -2.234 0.846 1.00 1.51 N ATOM 703 CA GLU A 50 -10.911 -1.310 1.899 1.00 52.41 C ATOM 704 C GLU A 50 -10.133 -2.035 3.023 1.00 21.31 C ATOM 705 O GLU A 50 -9.359 -1.401 3.744 1.00 12.42 O ATOM 706 CB GLU A 50 -12.116 -0.529 2.479 1.00 24.05 C ATOM 707 CG GLU A 50 -13.148 -1.396 3.242 1.00 5.15 C ATOM 708 CD GLU A 50 -14.331 -0.586 3.791 1.00 42.22 C ATOM 709 OE1 GLU A 50 -14.141 0.165 4.773 1.00 12.22 O ATOM 710 OE2 GLU A 50 -15.449 -0.676 3.238 1.00 34.21 O ATOM 0 H GLU A 50 -12.385 -2.313 0.790 1.00 1.51 H new ATOM 0 HA GLU A 50 -10.215 -0.608 1.440 1.00 52.41 H new ATOM 0 HB2 GLU A 50 -11.741 0.241 3.153 1.00 24.05 H new ATOM 0 HB3 GLU A 50 -12.626 -0.017 1.663 1.00 24.05 H new ATOM 0 HG2 GLU A 50 -13.525 -2.171 2.575 1.00 5.15 H new ATOM 0 HG3 GLU A 50 -12.648 -1.902 4.068 1.00 5.15 H new ATOM 717 N GLU A 51 -10.352 -3.360 3.153 1.00 34.55 N ATOM 718 CA GLU A 51 -9.655 -4.215 4.140 1.00 4.31 C ATOM 719 C GLU A 51 -8.136 -4.276 3.836 1.00 30.20 C ATOM 720 O GLU A 51 -7.309 -4.233 4.751 1.00 61.30 O ATOM 721 CB GLU A 51 -10.319 -5.636 4.100 1.00 64.41 C ATOM 722 CG GLU A 51 -9.880 -6.663 5.182 1.00 14.41 C ATOM 723 CD GLU A 51 -8.510 -7.339 4.928 1.00 50.32 C ATOM 724 OE1 GLU A 51 -8.234 -7.729 3.770 1.00 54.43 O ATOM 725 OE2 GLU A 51 -7.716 -7.495 5.883 1.00 73.11 O ATOM 0 H GLU A 51 -11.020 -3.870 2.575 1.00 34.55 H new ATOM 0 HA GLU A 51 -9.752 -3.800 5.143 1.00 4.31 H new ATOM 0 HB2 GLU A 51 -11.398 -5.505 4.178 1.00 64.41 H new ATOM 0 HB3 GLU A 51 -10.121 -6.073 3.121 1.00 64.41 H new ATOM 0 HG2 GLU A 51 -9.845 -6.158 6.147 1.00 14.41 H new ATOM 0 HG3 GLU A 51 -10.642 -7.439 5.255 1.00 14.41 H new ATOM 732 N SER A 52 -7.788 -4.300 2.539 1.00 15.54 N ATOM 733 CA SER A 52 -6.388 -4.449 2.075 1.00 51.21 C ATOM 734 C SER A 52 -5.752 -3.084 1.747 1.00 34.33 C ATOM 735 O SER A 52 -4.675 -3.019 1.133 1.00 2.12 O ATOM 736 CB SER A 52 -6.359 -5.387 0.846 1.00 44.44 C ATOM 737 OG SER A 52 -6.930 -6.648 1.158 1.00 24.23 O ATOM 0 H SER A 52 -8.464 -4.217 1.779 1.00 15.54 H new ATOM 0 HA SER A 52 -5.795 -4.888 2.878 1.00 51.21 H new ATOM 0 HB2 SER A 52 -6.906 -4.930 0.021 1.00 44.44 H new ATOM 0 HB3 SER A 52 -5.331 -5.522 0.511 1.00 44.44 H new ATOM 0 HG SER A 52 -7.146 -6.682 2.113 1.00 24.23 H new ATOM 743 N MET A 53 -6.423 -2.001 2.181 1.00 70.03 N ATOM 744 CA MET A 53 -5.951 -0.632 1.964 1.00 3.54 C ATOM 745 C MET A 53 -4.950 -0.275 3.075 1.00 12.21 C ATOM 746 O MET A 53 -5.334 -0.019 4.222 1.00 62.04 O ATOM 747 CB MET A 53 -7.160 0.351 1.926 1.00 2.25 C ATOM 748 CG MET A 53 -6.825 1.776 1.461 1.00 1.01 C ATOM 749 SD MET A 53 -8.263 2.878 1.478 1.00 21.43 S ATOM 750 CE MET A 53 -9.393 2.041 0.363 1.00 64.13 C ATOM 0 H MET A 53 -7.305 -2.056 2.690 1.00 70.03 H new ATOM 0 HA MET A 53 -5.443 -0.550 1.003 1.00 3.54 H new ATOM 0 HB2 MET A 53 -7.923 -0.061 1.265 1.00 2.25 H new ATOM 0 HB3 MET A 53 -7.597 0.404 2.923 1.00 2.25 H new ATOM 0 HG2 MET A 53 -6.049 2.190 2.104 1.00 1.01 H new ATOM 0 HG3 MET A 53 -6.415 1.737 0.452 1.00 1.01 H new ATOM 0 HE1 MET A 53 -9.822 2.764 -0.330 1.00 64.13 H new ATOM 0 HE2 MET A 53 -8.853 1.278 -0.197 1.00 64.13 H new ATOM 0 HE3 MET A 53 -10.191 1.572 0.938 1.00 64.13 H new ATOM 760 N LEU A 54 -3.653 -0.316 2.712 1.00 1.13 N ATOM 761 CA LEU A 54 -2.542 0.031 3.619 1.00 34.05 C ATOM 762 C LEU A 54 -2.499 1.545 3.793 1.00 51.11 C ATOM 763 O LEU A 54 -2.818 2.292 2.860 1.00 41.02 O ATOM 764 CB LEU A 54 -1.176 -0.459 3.056 1.00 31.10 C ATOM 765 CG LEU A 54 -1.051 -1.983 2.784 1.00 14.44 C ATOM 766 CD1 LEU A 54 0.314 -2.313 2.142 1.00 64.15 C ATOM 767 CD2 LEU A 54 -1.286 -2.808 4.068 1.00 74.34 C ATOM 0 H LEU A 54 -3.346 -0.591 1.779 1.00 1.13 H new ATOM 0 HA LEU A 54 -2.712 -0.461 4.577 1.00 34.05 H new ATOM 0 HB2 LEU A 54 -0.979 0.072 2.125 1.00 31.10 H new ATOM 0 HB3 LEU A 54 -0.393 -0.171 3.758 1.00 31.10 H new ATOM 0 HG LEU A 54 -1.831 -2.262 2.076 1.00 14.44 H new ATOM 0 HD11 LEU A 54 0.381 -3.386 1.960 1.00 64.15 H new ATOM 0 HD12 LEU A 54 0.411 -1.778 1.197 1.00 64.15 H new ATOM 0 HD13 LEU A 54 1.116 -2.009 2.815 1.00 64.15 H new ATOM 0 HD21 LEU A 54 -1.191 -3.870 3.841 1.00 74.34 H new ATOM 0 HD22 LEU A 54 -0.547 -2.530 4.819 1.00 74.34 H new ATOM 0 HD23 LEU A 54 -2.286 -2.607 4.452 1.00 74.34 H new ATOM 779 N LEU A 55 -2.119 1.991 4.983 1.00 30.24 N ATOM 780 CA LEU A 55 -1.942 3.417 5.276 1.00 64.12 C ATOM 781 C LEU A 55 -0.490 3.633 5.713 1.00 74.34 C ATOM 782 O LEU A 55 -0.065 3.066 6.720 1.00 54.43 O ATOM 783 CB LEU A 55 -2.980 3.856 6.371 1.00 73.04 C ATOM 784 CG LEU A 55 -3.180 5.398 6.643 1.00 52.00 C ATOM 785 CD1 LEU A 55 -2.076 6.000 7.538 1.00 12.32 C ATOM 786 CD2 LEU A 55 -3.308 6.174 5.310 1.00 64.42 C ATOM 0 H LEU A 55 -1.924 1.379 5.775 1.00 30.24 H new ATOM 0 HA LEU A 55 -2.129 4.036 4.399 1.00 64.12 H new ATOM 0 HB2 LEU A 55 -3.949 3.439 6.095 1.00 73.04 H new ATOM 0 HB3 LEU A 55 -2.688 3.389 7.311 1.00 73.04 H new ATOM 0 HG LEU A 55 -4.111 5.503 7.200 1.00 52.00 H new ATOM 0 HD11 LEU A 55 -2.269 7.062 7.689 1.00 12.32 H new ATOM 0 HD12 LEU A 55 -2.072 5.492 8.502 1.00 12.32 H new ATOM 0 HD13 LEU A 55 -1.107 5.872 7.056 1.00 12.32 H new ATOM 0 HD21 LEU A 55 -3.445 7.235 5.518 1.00 64.42 H new ATOM 0 HD22 LEU A 55 -2.403 6.034 4.719 1.00 64.42 H new ATOM 0 HD23 LEU A 55 -4.166 5.800 4.752 1.00 64.42 H new ATOM 798 N CYS A 56 0.270 4.423 4.918 1.00 62.13 N ATOM 799 CA CYS A 56 1.629 4.843 5.278 1.00 61.22 C ATOM 800 C CYS A 56 1.603 5.587 6.616 1.00 21.01 C ATOM 801 O CYS A 56 1.073 6.702 6.692 1.00 42.41 O ATOM 802 CB CYS A 56 2.225 5.758 4.200 1.00 45.43 C ATOM 803 SG CYS A 56 3.880 6.414 4.627 1.00 13.33 S ATOM 0 H CYS A 56 -0.047 4.781 4.017 1.00 62.13 H new ATOM 0 HA CYS A 56 2.250 3.951 5.361 1.00 61.22 H new ATOM 0 HB2 CYS A 56 2.293 5.205 3.263 1.00 45.43 H new ATOM 0 HB3 CYS A 56 1.546 6.593 4.028 1.00 45.43 H new ATOM 808 N ASP A 57 2.166 4.951 7.653 1.00 33.11 N ATOM 809 CA ASP A 57 2.189 5.500 9.023 1.00 24.54 C ATOM 810 C ASP A 57 2.899 6.890 9.078 1.00 10.53 C ATOM 811 O ASP A 57 2.559 7.739 9.910 1.00 25.11 O ATOM 812 CB ASP A 57 2.859 4.471 9.979 1.00 60.45 C ATOM 813 CG ASP A 57 2.809 4.908 11.455 1.00 21.41 C ATOM 814 OD1 ASP A 57 1.723 4.822 12.068 1.00 21.25 O ATOM 815 OD2 ASP A 57 3.844 5.372 11.995 1.00 4.35 O ATOM 0 H ASP A 57 2.619 4.041 7.569 1.00 33.11 H new ATOM 0 HA ASP A 57 1.164 5.669 9.352 1.00 24.54 H new ATOM 0 HB2 ASP A 57 2.362 3.507 9.873 1.00 60.45 H new ATOM 0 HB3 ASP A 57 3.898 4.329 9.682 1.00 60.45 H new ATOM 820 N GLY A 58 3.876 7.083 8.157 1.00 3.31 N ATOM 821 CA GLY A 58 4.621 8.345 8.003 1.00 52.10 C ATOM 822 C GLY A 58 4.433 9.003 6.619 1.00 2.41 C ATOM 823 O GLY A 58 5.392 9.150 5.851 1.00 13.25 O ATOM 0 H GLY A 58 4.166 6.359 7.499 1.00 3.31 H new ATOM 0 HA2 GLY A 58 4.301 9.044 8.776 1.00 52.10 H new ATOM 0 HA3 GLY A 58 5.682 8.154 8.165 1.00 52.10 H new ATOM 827 N CYS A 59 3.170 9.309 6.305 1.00 1.11 N ATOM 828 CA CYS A 59 2.726 10.150 5.159 1.00 61.24 C ATOM 829 C CYS A 59 1.211 10.392 5.232 1.00 42.51 C ATOM 830 O CYS A 59 0.728 11.456 4.840 1.00 22.41 O ATOM 831 CB CYS A 59 3.052 9.525 3.769 1.00 72.10 C ATOM 832 SG CYS A 59 4.800 9.565 3.291 1.00 40.44 S ATOM 0 H CYS A 59 2.385 8.968 6.860 1.00 1.11 H new ATOM 0 HA CYS A 59 3.280 11.085 5.246 1.00 61.24 H new ATOM 0 HB2 CYS A 59 2.716 8.488 3.768 1.00 72.10 H new ATOM 0 HB3 CYS A 59 2.473 10.049 3.009 1.00 72.10 H new ATOM 0 HG CYS A 59 5.331 8.395 3.488 1.00 40.44 H new ATOM 837 N ASP A 60 0.494 9.364 5.718 1.00 44.41 N ATOM 838 CA ASP A 60 -0.979 9.276 5.655 1.00 3.41 C ATOM 839 C ASP A 60 -1.426 9.276 4.181 1.00 23.34 C ATOM 840 O ASP A 60 -2.177 10.136 3.706 1.00 12.13 O ATOM 841 CB ASP A 60 -1.683 10.382 6.509 1.00 11.22 C ATOM 842 CG ASP A 60 -3.222 10.289 6.494 1.00 20.22 C ATOM 843 OD1 ASP A 60 -3.763 9.258 6.944 1.00 72.22 O ATOM 844 OD2 ASP A 60 -3.896 11.233 6.012 1.00 21.12 O ATOM 0 H ASP A 60 0.925 8.559 6.172 1.00 44.41 H new ATOM 0 HA ASP A 60 -1.295 8.336 6.107 1.00 3.41 H new ATOM 0 HB2 ASP A 60 -1.333 10.311 7.539 1.00 11.22 H new ATOM 0 HB3 ASP A 60 -1.383 11.362 6.137 1.00 11.22 H new ATOM 849 N ASP A 61 -0.883 8.304 3.443 1.00 44.22 N ATOM 850 CA ASP A 61 -1.215 8.076 2.031 1.00 1.21 C ATOM 851 C ASP A 61 -1.649 6.613 1.894 1.00 64.50 C ATOM 852 O ASP A 61 -0.992 5.709 2.438 1.00 2.42 O ATOM 853 CB ASP A 61 -0.012 8.401 1.092 1.00 43.11 C ATOM 854 CG ASP A 61 -0.420 8.715 -0.374 1.00 25.31 C ATOM 855 OD1 ASP A 61 -1.409 8.145 -0.885 1.00 20.11 O ATOM 856 OD2 ASP A 61 0.254 9.538 -1.027 1.00 70.04 O ATOM 0 H ASP A 61 -0.195 7.647 3.810 1.00 44.22 H new ATOM 0 HA ASP A 61 -2.021 8.743 1.726 1.00 1.21 H new ATOM 0 HB2 ASP A 61 0.532 9.254 1.497 1.00 43.11 H new ATOM 0 HB3 ASP A 61 0.675 7.555 1.094 1.00 43.11 H new ATOM 861 N SER A 62 -2.745 6.395 1.179 1.00 21.22 N ATOM 862 CA SER A 62 -3.438 5.110 1.128 1.00 42.32 C ATOM 863 C SER A 62 -3.106 4.367 -0.182 1.00 32.11 C ATOM 864 O SER A 62 -3.312 4.890 -1.276 1.00 13.32 O ATOM 865 CB SER A 62 -4.943 5.376 1.264 1.00 32.14 C ATOM 866 OG SER A 62 -5.217 6.149 2.426 1.00 2.02 O ATOM 0 H SER A 62 -3.186 7.116 0.608 1.00 21.22 H new ATOM 0 HA SER A 62 -3.110 4.467 1.945 1.00 42.32 H new ATOM 0 HB2 SER A 62 -5.305 5.900 0.380 1.00 32.14 H new ATOM 0 HB3 SER A 62 -5.481 4.429 1.316 1.00 32.14 H new ATOM 0 HG SER A 62 -5.649 6.989 2.166 1.00 2.02 H new ATOM 872 N TYR A 63 -2.561 3.149 -0.046 1.00 45.33 N ATOM 873 CA TYR A 63 -2.198 2.270 -1.174 1.00 2.11 C ATOM 874 C TYR A 63 -2.664 0.849 -0.844 1.00 34.02 C ATOM 875 O TYR A 63 -2.496 0.408 0.288 1.00 42.30 O ATOM 876 CB TYR A 63 -0.654 2.251 -1.384 1.00 23.04 C ATOM 877 CG TYR A 63 0.002 3.619 -1.648 1.00 31.11 C ATOM 878 CD1 TYR A 63 0.447 4.423 -0.601 1.00 24.14 C ATOM 879 CD2 TYR A 63 0.196 4.090 -2.944 1.00 73.21 C ATOM 880 CE1 TYR A 63 1.052 5.634 -0.831 1.00 23.30 C ATOM 881 CE2 TYR A 63 0.800 5.306 -3.181 1.00 63.24 C ATOM 882 CZ TYR A 63 1.230 6.071 -2.122 1.00 30.43 C ATOM 883 OH TYR A 63 1.824 7.290 -2.347 1.00 41.15 O ATOM 0 H TYR A 63 -2.356 2.738 0.865 1.00 45.33 H new ATOM 0 HA TYR A 63 -2.672 2.640 -2.083 1.00 2.11 H new ATOM 0 HB2 TYR A 63 -0.191 1.812 -0.500 1.00 23.04 H new ATOM 0 HB3 TYR A 63 -0.428 1.593 -2.223 1.00 23.04 H new ATOM 0 HD1 TYR A 63 0.313 4.086 0.416 1.00 24.14 H new ATOM 0 HD2 TYR A 63 -0.133 3.491 -3.780 1.00 73.21 H new ATOM 0 HE1 TYR A 63 1.386 6.240 -0.002 1.00 23.30 H new ATOM 0 HE2 TYR A 63 0.935 5.656 -4.194 1.00 63.24 H new ATOM 0 HH TYR A 63 2.264 7.596 -1.527 1.00 41.15 H new ATOM 893 N HIS A 64 -3.234 0.125 -1.816 1.00 54.11 N ATOM 894 CA HIS A 64 -3.510 -1.321 -1.637 1.00 41.01 C ATOM 895 C HIS A 64 -2.205 -2.118 -1.729 1.00 63.43 C ATOM 896 O HIS A 64 -1.239 -1.671 -2.369 1.00 73.40 O ATOM 897 CB HIS A 64 -4.495 -1.876 -2.689 1.00 64.34 C ATOM 898 CG HIS A 64 -5.921 -1.457 -2.518 1.00 73.10 C ATOM 899 ND1 HIS A 64 -6.686 -1.053 -3.589 1.00 0.32 N ATOM 900 CD2 HIS A 64 -6.699 -1.520 -1.416 1.00 0.03 C ATOM 901 CE1 HIS A 64 -7.905 -0.891 -3.110 1.00 3.42 C ATOM 902 NE2 HIS A 64 -7.951 -1.152 -1.794 1.00 0.51 N ATOM 0 H HIS A 64 -3.512 0.501 -2.722 1.00 54.11 H new ATOM 0 HA HIS A 64 -3.967 -1.430 -0.653 1.00 41.01 H new ATOM 0 HB2 HIS A 64 -4.158 -1.563 -3.677 1.00 64.34 H new ATOM 0 HB3 HIS A 64 -4.449 -2.965 -2.666 1.00 64.34 H new ATOM 0 HD2 HIS A 64 -6.386 -1.808 -0.423 1.00 0.03 H new ATOM 0 HE1 HIS A 64 -8.756 -0.587 -3.701 1.00 3.42 H new ATOM 0 HE2 HIS A 64 -8.771 -1.086 -1.191 1.00 0.51 H new ATOM 910 N THR A 65 -2.226 -3.303 -1.116 1.00 11.33 N ATOM 911 CA THR A 65 -1.172 -4.315 -1.247 1.00 22.21 C ATOM 912 C THR A 65 -0.889 -4.647 -2.737 1.00 75.02 C ATOM 913 O THR A 65 0.270 -4.684 -3.174 1.00 63.21 O ATOM 914 CB THR A 65 -1.611 -5.613 -0.490 1.00 63.24 C ATOM 915 OG1 THR A 65 -2.917 -6.020 -0.943 1.00 65.54 O ATOM 916 CG2 THR A 65 -1.646 -5.417 1.038 1.00 0.34 C ATOM 0 H THR A 65 -2.988 -3.593 -0.504 1.00 11.33 H new ATOM 0 HA THR A 65 -0.255 -3.918 -0.812 1.00 22.21 H new ATOM 0 HB THR A 65 -0.871 -6.382 -0.711 1.00 63.24 H new ATOM 0 HG1 THR A 65 -3.189 -6.834 -0.469 1.00 65.54 H new ATOM 0 HG21 THR A 65 -1.956 -6.346 1.517 1.00 0.34 H new ATOM 0 HG22 THR A 65 -0.653 -5.140 1.392 1.00 0.34 H new ATOM 0 HG23 THR A 65 -2.354 -4.626 1.287 1.00 0.34 H new ATOM 924 N PHE A 66 -1.978 -4.845 -3.496 1.00 43.41 N ATOM 925 CA PHE A 66 -1.931 -5.268 -4.909 1.00 35.25 C ATOM 926 C PHE A 66 -1.770 -4.083 -5.896 1.00 4.24 C ATOM 927 O PHE A 66 -1.315 -4.294 -7.019 1.00 53.34 O ATOM 928 CB PHE A 66 -3.186 -6.115 -5.257 1.00 75.44 C ATOM 929 CG PHE A 66 -4.546 -5.467 -4.933 1.00 70.54 C ATOM 930 CD1 PHE A 66 -5.206 -4.657 -5.861 1.00 42.20 C ATOM 931 CD2 PHE A 66 -5.168 -5.695 -3.702 1.00 55.23 C ATOM 932 CE1 PHE A 66 -6.438 -4.098 -5.569 1.00 62.01 C ATOM 933 CE2 PHE A 66 -6.399 -5.140 -3.413 1.00 23.11 C ATOM 934 CZ PHE A 66 -7.032 -4.341 -4.344 1.00 33.42 C ATOM 0 H PHE A 66 -2.927 -4.715 -3.145 1.00 43.41 H new ATOM 0 HA PHE A 66 -1.038 -5.882 -5.027 1.00 35.25 H new ATOM 0 HB2 PHE A 66 -3.160 -6.347 -6.322 1.00 75.44 H new ATOM 0 HB3 PHE A 66 -3.120 -7.063 -4.723 1.00 75.44 H new ATOM 0 HD1 PHE A 66 -4.748 -4.464 -6.820 1.00 42.20 H new ATOM 0 HD2 PHE A 66 -4.678 -6.315 -2.966 1.00 55.23 H new ATOM 0 HE1 PHE A 66 -6.935 -3.473 -6.297 1.00 62.01 H new ATOM 0 HE2 PHE A 66 -6.867 -5.331 -2.458 1.00 23.11 H new ATOM 0 HZ PHE A 66 -7.993 -3.905 -4.115 1.00 33.42 H new ATOM 944 N CYS A 67 -2.171 -2.852 -5.492 1.00 20.12 N ATOM 945 CA CYS A 67 -2.072 -1.644 -6.360 1.00 23.51 C ATOM 946 C CYS A 67 -0.613 -1.219 -6.593 1.00 52.21 C ATOM 947 O CYS A 67 -0.303 -0.562 -7.588 1.00 21.13 O ATOM 948 CB CYS A 67 -2.890 -0.483 -5.760 1.00 60.52 C ATOM 949 SG CYS A 67 -4.682 -0.777 -5.767 1.00 72.13 S ATOM 0 H CYS A 67 -2.567 -2.666 -4.570 1.00 20.12 H new ATOM 0 HA CYS A 67 -2.490 -1.904 -7.333 1.00 23.51 H new ATOM 0 HB2 CYS A 67 -2.562 -0.311 -4.735 1.00 60.52 H new ATOM 0 HB3 CYS A 67 -2.677 0.428 -6.320 1.00 60.52 H new ATOM 0 HG CYS A 67 -5.237 -0.051 -6.691 1.00 72.13 H new ATOM 954 N LEU A 68 0.265 -1.577 -5.649 1.00 14.35 N ATOM 955 CA LEU A 68 1.725 -1.394 -5.796 1.00 1.52 C ATOM 956 C LEU A 68 2.303 -2.534 -6.649 1.00 45.42 C ATOM 957 O LEU A 68 1.709 -3.622 -6.725 1.00 73.14 O ATOM 958 CB LEU A 68 2.385 -1.396 -4.402 1.00 61.12 C ATOM 959 CG LEU A 68 1.951 -0.245 -3.451 1.00 11.55 C ATOM 960 CD1 LEU A 68 2.489 -0.499 -2.031 1.00 73.34 C ATOM 961 CD2 LEU A 68 2.395 1.141 -3.996 1.00 1.13 C ATOM 0 H LEU A 68 -0.009 -2.001 -4.763 1.00 14.35 H new ATOM 0 HA LEU A 68 1.926 -0.442 -6.288 1.00 1.52 H new ATOM 0 HB2 LEU A 68 2.164 -2.347 -3.917 1.00 61.12 H new ATOM 0 HB3 LEU A 68 3.466 -1.348 -4.532 1.00 61.12 H new ATOM 0 HG LEU A 68 0.862 -0.229 -3.403 1.00 11.55 H new ATOM 0 HD11 LEU A 68 2.179 0.313 -1.374 1.00 73.34 H new ATOM 0 HD12 LEU A 68 2.092 -1.442 -1.655 1.00 73.34 H new ATOM 0 HD13 LEU A 68 3.578 -0.549 -2.058 1.00 73.34 H new ATOM 0 HD21 LEU A 68 2.075 1.922 -3.307 1.00 1.13 H new ATOM 0 HD22 LEU A 68 3.481 1.164 -4.092 1.00 1.13 H new ATOM 0 HD23 LEU A 68 1.941 1.311 -4.972 1.00 1.13 H new ATOM 973 N LEU A 69 3.449 -2.285 -7.296 1.00 63.42 N ATOM 974 CA LEU A 69 4.215 -3.341 -7.963 1.00 34.43 C ATOM 975 C LEU A 69 5.664 -3.330 -7.416 1.00 24.50 C ATOM 976 O LEU A 69 6.214 -2.248 -7.189 1.00 12.41 O ATOM 977 CB LEU A 69 4.140 -3.216 -9.514 1.00 25.42 C ATOM 978 CG LEU A 69 4.725 -1.926 -10.186 1.00 54.32 C ATOM 979 CD1 LEU A 69 6.197 -2.110 -10.628 1.00 3.42 C ATOM 980 CD2 LEU A 69 3.851 -1.488 -11.372 1.00 64.25 C ATOM 0 H LEU A 69 3.866 -1.357 -7.371 1.00 63.42 H new ATOM 0 HA LEU A 69 3.776 -4.313 -7.738 1.00 34.43 H new ATOM 0 HB2 LEU A 69 4.655 -4.076 -9.942 1.00 25.42 H new ATOM 0 HB3 LEU A 69 3.092 -3.295 -9.803 1.00 25.42 H new ATOM 0 HG LEU A 69 4.714 -1.139 -9.432 1.00 54.32 H new ATOM 0 HD11 LEU A 69 6.557 -1.189 -11.088 1.00 3.42 H new ATOM 0 HD12 LEU A 69 6.811 -2.346 -9.759 1.00 3.42 H new ATOM 0 HD13 LEU A 69 6.261 -2.925 -11.349 1.00 3.42 H new ATOM 0 HD21 LEU A 69 4.274 -0.591 -11.824 1.00 64.25 H new ATOM 0 HD22 LEU A 69 3.817 -2.287 -12.113 1.00 64.25 H new ATOM 0 HD23 LEU A 69 2.841 -1.275 -11.021 1.00 64.25 H new ATOM 992 N PRO A 70 6.292 -4.516 -7.104 1.00 34.23 N ATOM 993 CA PRO A 70 5.631 -5.857 -7.108 1.00 55.14 C ATOM 994 C PRO A 70 4.499 -5.966 -6.036 1.00 54.45 C ATOM 995 O PRO A 70 4.659 -5.448 -4.925 1.00 54.34 O ATOM 996 CB PRO A 70 6.802 -6.835 -6.802 1.00 14.25 C ATOM 997 CG PRO A 70 8.043 -6.061 -7.126 1.00 71.45 C ATOM 998 CD PRO A 70 7.727 -4.636 -6.758 1.00 65.30 C ATOM 0 HA PRO A 70 5.129 -6.069 -8.052 1.00 55.14 H new ATOM 0 HB2 PRO A 70 6.793 -7.148 -5.758 1.00 14.25 H new ATOM 0 HB3 PRO A 70 6.731 -7.739 -7.407 1.00 14.25 H new ATOM 0 HG2 PRO A 70 8.898 -6.433 -6.561 1.00 71.45 H new ATOM 0 HG3 PRO A 70 8.297 -6.148 -8.183 1.00 71.45 H new ATOM 0 HD2 PRO A 70 7.905 -4.443 -5.700 1.00 65.30 H new ATOM 0 HD3 PRO A 70 8.338 -3.929 -7.319 1.00 65.30 H new ATOM 1006 N PRO A 71 3.322 -6.579 -6.380 1.00 1.01 N ATOM 1007 CA PRO A 71 2.143 -6.611 -5.479 1.00 33.52 C ATOM 1008 C PRO A 71 2.370 -7.485 -4.228 1.00 3.50 C ATOM 1009 O PRO A 71 2.760 -8.660 -4.333 1.00 13.12 O ATOM 1010 CB PRO A 71 1.022 -7.173 -6.398 1.00 41.24 C ATOM 1011 CG PRO A 71 1.736 -7.996 -7.422 1.00 24.52 C ATOM 1012 CD PRO A 71 3.042 -7.276 -7.677 1.00 43.12 C ATOM 0 HA PRO A 71 1.905 -5.633 -5.061 1.00 33.52 H new ATOM 0 HB2 PRO A 71 0.313 -7.777 -5.831 1.00 41.24 H new ATOM 0 HB3 PRO A 71 0.454 -6.368 -6.865 1.00 41.24 H new ATOM 0 HG2 PRO A 71 1.910 -9.009 -7.060 1.00 24.52 H new ATOM 0 HG3 PRO A 71 1.149 -8.081 -8.337 1.00 24.52 H new ATOM 0 HD2 PRO A 71 3.839 -7.972 -7.938 1.00 43.12 H new ATOM 0 HD3 PRO A 71 2.955 -6.568 -8.501 1.00 43.12 H new ATOM 1020 N LEU A 72 2.168 -6.874 -3.051 1.00 34.33 N ATOM 1021 CA LEU A 72 2.182 -7.573 -1.764 1.00 23.10 C ATOM 1022 C LEU A 72 0.993 -8.554 -1.703 1.00 0.41 C ATOM 1023 O LEU A 72 -0.167 -8.139 -1.741 1.00 33.00 O ATOM 1024 CB LEU A 72 2.122 -6.539 -0.601 1.00 74.24 C ATOM 1025 CG LEU A 72 3.228 -5.433 -0.620 1.00 44.21 C ATOM 1026 CD1 LEU A 72 2.942 -4.343 0.438 1.00 42.42 C ATOM 1027 CD2 LEU A 72 4.640 -6.035 -0.428 1.00 32.44 C ATOM 0 H LEU A 72 1.989 -5.873 -2.969 1.00 34.33 H new ATOM 0 HA LEU A 72 3.105 -8.143 -1.660 1.00 23.10 H new ATOM 0 HB2 LEU A 72 1.147 -6.052 -0.622 1.00 74.24 H new ATOM 0 HB3 LEU A 72 2.189 -7.078 0.344 1.00 74.24 H new ATOM 0 HG LEU A 72 3.203 -4.964 -1.604 1.00 44.21 H new ATOM 0 HD11 LEU A 72 3.726 -3.587 0.403 1.00 42.42 H new ATOM 0 HD12 LEU A 72 1.979 -3.877 0.229 1.00 42.42 H new ATOM 0 HD13 LEU A 72 2.918 -4.795 1.429 1.00 42.42 H new ATOM 0 HD21 LEU A 72 5.382 -5.236 -0.447 1.00 32.44 H new ATOM 0 HD22 LEU A 72 4.688 -6.552 0.530 1.00 32.44 H new ATOM 0 HD23 LEU A 72 4.847 -6.741 -1.232 1.00 32.44 H new ATOM 1039 N THR A 73 1.301 -9.854 -1.676 1.00 42.04 N ATOM 1040 CA THR A 73 0.292 -10.930 -1.611 1.00 63.30 C ATOM 1041 C THR A 73 -0.230 -11.147 -0.167 1.00 20.31 C ATOM 1042 O THR A 73 -1.122 -11.970 0.062 1.00 15.14 O ATOM 1043 CB THR A 73 0.899 -12.253 -2.178 1.00 50.42 C ATOM 1044 OG1 THR A 73 2.117 -12.577 -1.477 1.00 33.31 O ATOM 1045 CG2 THR A 73 1.187 -12.148 -3.690 1.00 35.20 C ATOM 0 H THR A 73 2.261 -10.198 -1.699 1.00 42.04 H new ATOM 0 HA THR A 73 -0.561 -10.630 -2.219 1.00 63.30 H new ATOM 0 HB THR A 73 0.163 -13.043 -2.028 1.00 50.42 H new ATOM 0 HG1 THR A 73 2.490 -13.408 -1.837 1.00 33.31 H new ATOM 0 HG21 THR A 73 1.608 -13.088 -4.046 1.00 35.20 H new ATOM 0 HG22 THR A 73 0.259 -11.941 -4.224 1.00 35.20 H new ATOM 0 HG23 THR A 73 1.897 -11.341 -3.870 1.00 35.20 H new ATOM 1053 N SER A 74 0.320 -10.366 0.774 1.00 23.44 N ATOM 1054 CA SER A 74 0.005 -10.447 2.204 1.00 53.22 C ATOM 1055 C SER A 74 0.301 -9.085 2.869 1.00 14.34 C ATOM 1056 O SER A 74 0.769 -8.142 2.198 1.00 35.43 O ATOM 1057 CB SER A 74 0.831 -11.592 2.861 1.00 53.23 C ATOM 1058 OG SER A 74 0.438 -11.821 4.208 1.00 3.52 O ATOM 0 H SER A 74 1.010 -9.647 0.556 1.00 23.44 H new ATOM 0 HA SER A 74 -1.052 -10.675 2.342 1.00 53.22 H new ATOM 0 HB2 SER A 74 0.704 -12.508 2.285 1.00 53.23 H new ATOM 0 HB3 SER A 74 1.891 -11.340 2.830 1.00 53.23 H new ATOM 0 HG SER A 74 0.976 -12.547 4.587 1.00 3.52 H new ATOM 1064 N ILE A 75 -0.003 -8.983 4.178 1.00 52.25 N ATOM 1065 CA ILE A 75 0.365 -7.817 5.002 1.00 53.55 C ATOM 1066 C ILE A 75 1.918 -7.726 5.101 1.00 62.52 C ATOM 1067 O ILE A 75 2.558 -8.737 5.409 1.00 74.42 O ATOM 1068 CB ILE A 75 -0.275 -7.909 6.443 1.00 61.41 C ATOM 1069 CG1 ILE A 75 -1.830 -8.059 6.341 1.00 43.51 C ATOM 1070 CG2 ILE A 75 0.118 -6.687 7.323 1.00 4.42 C ATOM 1071 CD1 ILE A 75 -2.546 -8.241 7.670 1.00 15.12 C ATOM 0 H ILE A 75 -0.509 -9.705 4.691 1.00 52.25 H new ATOM 0 HA ILE A 75 -0.024 -6.916 4.527 1.00 53.55 H new ATOM 0 HB ILE A 75 0.124 -8.797 6.933 1.00 61.41 H new ATOM 0 HG12 ILE A 75 -2.234 -7.176 5.846 1.00 43.51 H new ATOM 0 HG13 ILE A 75 -2.057 -8.913 5.703 1.00 43.51 H new ATOM 0 HG21 ILE A 75 -0.341 -6.785 8.307 1.00 4.42 H new ATOM 0 HG22 ILE A 75 1.202 -6.649 7.430 1.00 4.42 H new ATOM 0 HG23 ILE A 75 -0.232 -5.770 6.849 1.00 4.42 H new ATOM 0 HD11 ILE A 75 -3.618 -8.336 7.496 1.00 15.12 H new ATOM 0 HD12 ILE A 75 -2.177 -9.141 8.162 1.00 15.12 H new ATOM 0 HD13 ILE A 75 -2.357 -7.377 8.307 1.00 15.12 H new ATOM 1083 N PRO A 76 2.539 -6.538 4.795 1.00 74.34 N ATOM 1084 CA PRO A 76 4.021 -6.348 4.853 1.00 32.20 C ATOM 1085 C PRO A 76 4.617 -6.490 6.278 1.00 32.20 C ATOM 1086 O PRO A 76 3.880 -6.688 7.255 1.00 31.12 O ATOM 1087 CB PRO A 76 4.212 -4.912 4.284 1.00 64.41 C ATOM 1088 CG PRO A 76 2.901 -4.233 4.519 1.00 63.13 C ATOM 1089 CD PRO A 76 1.854 -5.300 4.332 1.00 65.41 C ATOM 0 HA PRO A 76 4.550 -7.117 4.291 1.00 32.20 H new ATOM 0 HB2 PRO A 76 5.024 -4.390 4.790 1.00 64.41 H new ATOM 0 HB3 PRO A 76 4.461 -4.936 3.223 1.00 64.41 H new ATOM 0 HG2 PRO A 76 2.853 -3.808 5.522 1.00 63.13 H new ATOM 0 HG3 PRO A 76 2.753 -3.412 3.818 1.00 63.13 H new ATOM 0 HD2 PRO A 76 0.959 -5.092 4.918 1.00 65.41 H new ATOM 0 HD3 PRO A 76 1.542 -5.379 3.291 1.00 65.41 H new ATOM 1097 N LYS A 77 5.960 -6.377 6.366 1.00 41.14 N ATOM 1098 CA LYS A 77 6.727 -6.555 7.615 1.00 61.42 C ATOM 1099 C LYS A 77 6.369 -5.467 8.652 1.00 3.52 C ATOM 1100 O LYS A 77 6.878 -4.337 8.575 1.00 53.40 O ATOM 1101 CB LYS A 77 8.247 -6.515 7.279 1.00 21.23 C ATOM 1102 CG LYS A 77 8.712 -7.574 6.245 1.00 3.55 C ATOM 1103 CD LYS A 77 8.812 -9.003 6.827 1.00 14.23 C ATOM 1104 CE LYS A 77 9.915 -9.136 7.896 1.00 74.43 C ATOM 1105 NZ LYS A 77 11.251 -8.732 7.389 1.00 51.32 N ATOM 0 H LYS A 77 6.547 -6.157 5.562 1.00 41.14 H new ATOM 0 HA LYS A 77 6.472 -7.518 8.057 1.00 61.42 H new ATOM 0 HB2 LYS A 77 8.495 -5.524 6.900 1.00 21.23 H new ATOM 0 HB3 LYS A 77 8.812 -6.654 8.200 1.00 21.23 H new ATOM 0 HG2 LYS A 77 8.017 -7.580 5.406 1.00 3.55 H new ATOM 0 HG3 LYS A 77 9.685 -7.282 5.851 1.00 3.55 H new ATOM 0 HD2 LYS A 77 7.853 -9.280 7.264 1.00 14.23 H new ATOM 0 HD3 LYS A 77 9.009 -9.707 6.018 1.00 14.23 H new ATOM 0 HE2 LYS A 77 9.656 -8.522 8.758 1.00 74.43 H new ATOM 0 HE3 LYS A 77 9.958 -10.169 8.242 1.00 74.43 H new ATOM 0 HZ1 LYS A 77 11.983 -9.027 8.066 1.00 51.32 H new ATOM 0 HZ2 LYS A 77 11.426 -9.187 6.470 1.00 51.32 H new ATOM 0 HZ3 LYS A 77 11.281 -7.699 7.275 1.00 51.32 H new ATOM 1119 N GLY A 78 5.460 -5.816 9.587 1.00 24.32 N ATOM 1120 CA GLY A 78 4.990 -4.886 10.618 1.00 43.52 C ATOM 1121 C GLY A 78 4.251 -3.699 10.014 1.00 14.52 C ATOM 1122 O GLY A 78 3.437 -3.880 9.097 1.00 44.44 O ATOM 0 H GLY A 78 5.039 -6.743 9.643 1.00 24.32 H new ATOM 0 HA2 GLY A 78 4.330 -5.412 11.308 1.00 43.52 H new ATOM 0 HA3 GLY A 78 5.840 -4.528 11.199 1.00 43.52 H new ATOM 1126 N GLU A 79 4.545 -2.485 10.515 1.00 11.42 N ATOM 1127 CA GLU A 79 4.024 -1.231 9.936 1.00 1.11 C ATOM 1128 C GLU A 79 4.684 -0.988 8.573 1.00 4.43 C ATOM 1129 O GLU A 79 5.839 -1.386 8.358 1.00 53.43 O ATOM 1130 CB GLU A 79 4.291 -0.037 10.885 1.00 50.32 C ATOM 1131 CG GLU A 79 3.724 -0.215 12.299 1.00 32.43 C ATOM 1132 CD GLU A 79 4.014 0.982 13.210 1.00 61.34 C ATOM 1133 OE1 GLU A 79 5.105 1.024 13.832 1.00 13.34 O ATOM 1134 OE2 GLU A 79 3.182 1.910 13.277 1.00 25.43 O ATOM 0 H GLU A 79 5.146 -2.345 11.327 1.00 11.42 H new ATOM 0 HA GLU A 79 2.946 -1.321 9.805 1.00 1.11 H new ATOM 0 HB2 GLU A 79 5.367 0.123 10.955 1.00 50.32 H new ATOM 0 HB3 GLU A 79 3.863 0.864 10.445 1.00 50.32 H new ATOM 0 HG2 GLU A 79 2.646 -0.366 12.237 1.00 32.43 H new ATOM 0 HG3 GLU A 79 4.147 -1.116 12.744 1.00 32.43 H new ATOM 1141 N TRP A 80 3.967 -0.318 7.674 1.00 52.31 N ATOM 1142 CA TRP A 80 4.402 -0.137 6.296 1.00 1.43 C ATOM 1143 C TRP A 80 4.741 1.345 6.037 1.00 0.32 C ATOM 1144 O TRP A 80 3.974 2.252 6.396 1.00 23.21 O ATOM 1145 CB TRP A 80 3.297 -0.650 5.339 1.00 24.23 C ATOM 1146 CG TRP A 80 3.618 -0.448 3.886 1.00 3.02 C ATOM 1147 CD1 TRP A 80 4.454 -1.189 3.102 1.00 65.44 C ATOM 1148 CD2 TRP A 80 3.117 0.593 3.061 1.00 72.22 C ATOM 1149 NE1 TRP A 80 4.495 -0.665 1.841 1.00 34.24 N ATOM 1150 CE2 TRP A 80 3.679 0.429 1.793 1.00 75.02 C ATOM 1151 CE3 TRP A 80 2.227 1.636 3.289 1.00 54.44 C ATOM 1152 CZ2 TRP A 80 3.389 1.280 0.745 1.00 23.12 C ATOM 1153 CZ3 TRP A 80 1.941 2.492 2.248 1.00 2.13 C ATOM 1154 CH2 TRP A 80 2.526 2.305 0.987 1.00 63.35 C ATOM 0 H TRP A 80 3.067 0.114 7.883 1.00 52.31 H new ATOM 0 HA TRP A 80 5.308 -0.715 6.112 1.00 1.43 H new ATOM 0 HB2 TRP A 80 3.134 -1.712 5.522 1.00 24.23 H new ATOM 0 HB3 TRP A 80 2.362 -0.139 5.570 1.00 24.23 H new ATOM 0 HD1 TRP A 80 5.002 -2.060 3.430 1.00 65.44 H new ATOM 0 HE1 TRP A 80 5.045 -1.031 1.063 1.00 34.24 H new ATOM 0 HE3 TRP A 80 1.771 1.772 4.258 1.00 54.44 H new ATOM 0 HZ2 TRP A 80 3.830 1.138 -0.230 1.00 23.12 H new ATOM 0 HZ3 TRP A 80 1.260 3.315 2.404 1.00 2.13 H new ATOM 0 HH2 TRP A 80 2.286 2.991 0.188 1.00 63.35 H new ATOM 1165 N LEU A 81 5.915 1.562 5.425 1.00 2.32 N ATOM 1166 CA LEU A 81 6.371 2.873 4.956 1.00 42.12 C ATOM 1167 C LEU A 81 6.240 2.935 3.425 1.00 1.11 C ATOM 1168 O LEU A 81 6.638 1.998 2.720 1.00 62.22 O ATOM 1169 CB LEU A 81 7.845 3.121 5.391 1.00 35.41 C ATOM 1170 CG LEU A 81 8.127 3.113 6.934 1.00 2.23 C ATOM 1171 CD1 LEU A 81 9.615 3.409 7.233 1.00 4.12 C ATOM 1172 CD2 LEU A 81 7.194 4.090 7.695 1.00 34.03 C ATOM 0 H LEU A 81 6.584 0.815 5.240 1.00 2.32 H new ATOM 0 HA LEU A 81 5.753 3.653 5.400 1.00 42.12 H new ATOM 0 HB2 LEU A 81 8.471 2.360 4.925 1.00 35.41 H new ATOM 0 HB3 LEU A 81 8.162 4.084 4.991 1.00 35.41 H new ATOM 0 HG LEU A 81 7.907 2.109 7.298 1.00 2.23 H new ATOM 0 HD11 LEU A 81 9.779 3.397 8.311 1.00 4.12 H new ATOM 0 HD12 LEU A 81 10.239 2.649 6.762 1.00 4.12 H new ATOM 0 HD13 LEU A 81 9.877 4.390 6.837 1.00 4.12 H new ATOM 0 HD21 LEU A 81 7.421 4.055 8.760 1.00 34.03 H new ATOM 0 HD22 LEU A 81 7.348 5.103 7.324 1.00 34.03 H new ATOM 0 HD23 LEU A 81 6.155 3.800 7.536 1.00 34.03 H new ATOM 1184 N CYS A 82 5.654 4.034 2.932 1.00 42.33 N ATOM 1185 CA CYS A 82 5.525 4.305 1.490 1.00 73.50 C ATOM 1186 C CYS A 82 6.912 4.542 0.839 1.00 53.25 C ATOM 1187 O CYS A 82 7.875 4.859 1.551 1.00 3.54 O ATOM 1188 CB CYS A 82 4.617 5.543 1.294 1.00 41.12 C ATOM 1189 SG CYS A 82 5.180 7.002 2.216 1.00 11.52 S ATOM 0 H CYS A 82 5.254 4.764 3.522 1.00 42.33 H new ATOM 0 HA CYS A 82 5.079 3.438 1.002 1.00 73.50 H new ATOM 0 HB2 CYS A 82 4.573 5.788 0.233 1.00 41.12 H new ATOM 0 HB3 CYS A 82 3.603 5.294 1.606 1.00 41.12 H new ATOM 1194 N PRO A 83 7.051 4.393 -0.519 1.00 1.14 N ATOM 1195 CA PRO A 83 8.297 4.778 -1.247 1.00 10.10 C ATOM 1196 C PRO A 83 8.687 6.268 -1.032 1.00 14.33 C ATOM 1197 O PRO A 83 9.842 6.643 -1.248 1.00 53.31 O ATOM 1198 CB PRO A 83 7.954 4.477 -2.726 1.00 45.14 C ATOM 1199 CG PRO A 83 6.870 3.442 -2.664 1.00 34.52 C ATOM 1200 CD PRO A 83 6.046 3.796 -1.445 1.00 23.43 C ATOM 0 HA PRO A 83 9.169 4.230 -0.890 1.00 10.10 H new ATOM 0 HB2 PRO A 83 7.615 5.374 -3.244 1.00 45.14 H new ATOM 0 HB3 PRO A 83 8.825 4.106 -3.267 1.00 45.14 H new ATOM 0 HG2 PRO A 83 6.261 3.456 -3.568 1.00 34.52 H new ATOM 0 HG3 PRO A 83 7.289 2.439 -2.578 1.00 34.52 H new ATOM 0 HD2 PRO A 83 5.251 4.502 -1.687 1.00 23.43 H new ATOM 0 HD3 PRO A 83 5.570 2.917 -1.011 1.00 23.43 H new ATOM 1208 N ARG A 84 7.695 7.098 -0.619 1.00 32.31 N ATOM 1209 CA ARG A 84 7.919 8.500 -0.182 1.00 52.51 C ATOM 1210 C ARG A 84 8.829 8.533 1.078 1.00 4.03 C ATOM 1211 O ARG A 84 9.783 9.310 1.151 1.00 61.23 O ATOM 1212 CB ARG A 84 6.569 9.229 0.153 1.00 72.30 C ATOM 1213 CG ARG A 84 5.629 9.621 -1.024 1.00 2.42 C ATOM 1214 CD ARG A 84 4.954 8.436 -1.738 1.00 30.24 C ATOM 1215 NE ARG A 84 5.816 7.825 -2.767 1.00 70.12 N ATOM 1216 CZ ARG A 84 5.393 7.021 -3.755 1.00 70.10 C ATOM 1217 NH1 ARG A 84 4.105 6.693 -3.884 1.00 4.21 N ATOM 1218 NH2 ARG A 84 6.254 6.571 -4.641 1.00 12.43 N ATOM 0 H ARG A 84 6.716 6.813 -0.580 1.00 32.31 H new ATOM 0 HA ARG A 84 8.401 9.020 -1.010 1.00 52.51 H new ATOM 0 HB2 ARG A 84 6.004 8.588 0.830 1.00 72.30 H new ATOM 0 HB3 ARG A 84 6.810 10.139 0.703 1.00 72.30 H new ATOM 0 HG2 ARG A 84 4.854 10.287 -0.644 1.00 2.42 H new ATOM 0 HG3 ARG A 84 6.205 10.187 -1.756 1.00 2.42 H new ATOM 0 HD2 ARG A 84 4.683 7.680 -1.001 1.00 30.24 H new ATOM 0 HD3 ARG A 84 4.028 8.776 -2.201 1.00 30.24 H new ATOM 0 HE ARG A 84 6.814 8.030 -2.724 1.00 70.12 H new ATOM 0 HH11 ARG A 84 3.418 7.055 -3.223 1.00 4.21 H new ATOM 0 HH12 ARG A 84 3.808 6.080 -4.643 1.00 4.21 H new ATOM 0 HH21 ARG A 84 7.238 6.833 -4.575 1.00 12.43 H new ATOM 0 HH22 ARG A 84 5.938 5.960 -5.394 1.00 12.43 H new ATOM 1232 N CYS A 85 8.494 7.664 2.067 1.00 40.53 N ATOM 1233 CA CYS A 85 9.236 7.552 3.351 1.00 24.15 C ATOM 1234 C CYS A 85 10.652 7.005 3.124 1.00 24.31 C ATOM 1235 O CYS A 85 11.616 7.459 3.744 1.00 1.34 O ATOM 1236 CB CYS A 85 8.481 6.622 4.320 1.00 31.31 C ATOM 1237 SG CYS A 85 6.782 7.108 4.611 1.00 75.11 S ATOM 0 H CYS A 85 7.704 7.023 1.997 1.00 40.53 H new ATOM 0 HA CYS A 85 9.311 8.550 3.782 1.00 24.15 H new ATOM 0 HB2 CYS A 85 8.496 5.608 3.921 1.00 31.31 H new ATOM 0 HB3 CYS A 85 9.011 6.598 5.272 1.00 31.31 H new ATOM 0 HG CYS A 85 6.072 6.861 3.550 1.00 75.11 H new ATOM 1242 N VAL A 86 10.737 6.031 2.209 1.00 74.13 N ATOM 1243 CA VAL A 86 11.993 5.368 1.845 1.00 74.51 C ATOM 1244 C VAL A 86 12.927 6.371 1.142 1.00 62.55 C ATOM 1245 O VAL A 86 14.131 6.431 1.461 1.00 15.12 O ATOM 1246 CB VAL A 86 11.714 4.124 0.917 1.00 51.41 C ATOM 1247 CG1 VAL A 86 13.020 3.415 0.479 1.00 33.33 C ATOM 1248 CG2 VAL A 86 10.736 3.130 1.600 1.00 20.21 C ATOM 0 H VAL A 86 9.928 5.679 1.697 1.00 74.13 H new ATOM 0 HA VAL A 86 12.480 5.010 2.752 1.00 74.51 H new ATOM 0 HB VAL A 86 11.240 4.500 0.010 1.00 51.41 H new ATOM 0 HG11 VAL A 86 12.776 2.565 -0.158 1.00 33.33 H new ATOM 0 HG12 VAL A 86 13.646 4.115 -0.074 1.00 33.33 H new ATOM 0 HG13 VAL A 86 13.557 3.065 1.360 1.00 33.33 H new ATOM 0 HG21 VAL A 86 10.560 2.281 0.939 1.00 20.21 H new ATOM 0 HG22 VAL A 86 11.170 2.778 2.536 1.00 20.21 H new ATOM 0 HG23 VAL A 86 9.791 3.632 1.805 1.00 20.21 H new ATOM 1258 N VAL A 87 12.323 7.176 0.221 1.00 13.33 N ATOM 1259 CA VAL A 87 13.002 8.185 -0.645 1.00 0.43 C ATOM 1260 C VAL A 87 13.782 7.497 -1.795 1.00 75.10 C ATOM 1261 O VAL A 87 13.638 7.879 -2.970 1.00 3.34 O ATOM 1262 CB VAL A 87 13.923 9.199 0.152 1.00 45.21 C ATOM 1263 CG1 VAL A 87 14.607 10.222 -0.785 1.00 43.31 C ATOM 1264 CG2 VAL A 87 13.133 9.912 1.280 1.00 43.10 C ATOM 0 H VAL A 87 11.317 7.139 0.056 1.00 13.33 H new ATOM 0 HA VAL A 87 12.206 8.792 -1.077 1.00 0.43 H new ATOM 0 HB VAL A 87 14.714 8.611 0.617 1.00 45.21 H new ATOM 0 HG11 VAL A 87 15.228 10.897 -0.196 1.00 43.31 H new ATOM 0 HG12 VAL A 87 15.229 9.694 -1.508 1.00 43.31 H new ATOM 0 HG13 VAL A 87 13.846 10.797 -1.313 1.00 43.31 H new ATOM 0 HG21 VAL A 87 13.793 10.600 1.807 1.00 43.10 H new ATOM 0 HG22 VAL A 87 12.301 10.467 0.847 1.00 43.10 H new ATOM 0 HG23 VAL A 87 12.749 9.170 1.980 1.00 43.10 H new ATOM 1274 N GLU A 88 14.599 6.494 -1.411 1.00 25.04 N ATOM 1275 CA GLU A 88 15.372 5.634 -2.290 1.00 63.53 C ATOM 1276 C GLU A 88 16.552 6.396 -2.941 1.00 60.25 C ATOM 1277 O GLU A 88 16.363 7.387 -3.657 1.00 1.25 O ATOM 1278 CB GLU A 88 14.482 4.909 -3.342 1.00 64.30 C ATOM 1279 CG GLU A 88 15.194 3.753 -4.045 1.00 5.42 C ATOM 1280 CD GLU A 88 14.348 3.093 -5.151 1.00 51.23 C ATOM 1281 OE1 GLU A 88 14.283 3.647 -6.265 1.00 61.15 O ATOM 1282 OE2 GLU A 88 13.740 2.020 -4.906 1.00 21.22 O ATOM 0 H GLU A 88 14.734 6.262 -0.427 1.00 25.04 H new ATOM 0 HA GLU A 88 15.805 4.850 -1.668 1.00 63.53 H new ATOM 0 HB2 GLU A 88 13.587 4.529 -2.850 1.00 64.30 H new ATOM 0 HB3 GLU A 88 14.153 5.632 -4.089 1.00 64.30 H new ATOM 0 HG2 GLU A 88 16.124 4.120 -4.480 1.00 5.42 H new ATOM 0 HG3 GLU A 88 15.463 2.999 -3.306 1.00 5.42 H new ATOM 1289 N GLU A 89 17.769 5.873 -2.703 1.00 42.34 N ATOM 1290 CA GLU A 89 19.045 6.523 -3.063 1.00 64.25 C ATOM 1291 C GLU A 89 19.219 6.672 -4.588 1.00 71.01 C ATOM 1292 O GLU A 89 19.989 7.520 -5.049 1.00 42.24 O ATOM 1293 CB GLU A 89 20.214 5.714 -2.445 1.00 61.41 C ATOM 1294 CG GLU A 89 20.106 5.531 -0.915 1.00 62.05 C ATOM 1295 CD GLU A 89 21.172 4.594 -0.329 1.00 21.44 C ATOM 1296 OE1 GLU A 89 20.979 3.357 -0.370 1.00 30.12 O ATOM 1297 OE2 GLU A 89 22.215 5.090 0.162 1.00 1.33 O ATOM 0 H GLU A 89 17.897 4.970 -2.247 1.00 42.34 H new ATOM 0 HA GLU A 89 19.042 7.535 -2.658 1.00 64.25 H new ATOM 0 HB2 GLU A 89 20.253 4.732 -2.917 1.00 61.41 H new ATOM 0 HB3 GLU A 89 21.153 6.217 -2.676 1.00 61.41 H new ATOM 0 HG2 GLU A 89 20.188 6.506 -0.435 1.00 62.05 H new ATOM 0 HG3 GLU A 89 19.118 5.139 -0.674 1.00 62.05 H new ATOM 1304 N VAL A 90 18.507 5.826 -5.351 1.00 34.35 N ATOM 1305 CA VAL A 90 18.395 5.964 -6.817 1.00 54.20 C ATOM 1306 C VAL A 90 17.045 6.631 -7.161 1.00 41.15 C ATOM 1307 O VAL A 90 16.014 5.967 -7.294 1.00 10.35 O ATOM 1308 CB VAL A 90 18.593 4.582 -7.580 1.00 40.21 C ATOM 1309 CG1 VAL A 90 20.088 4.180 -7.632 1.00 64.35 C ATOM 1310 CG2 VAL A 90 17.751 3.440 -6.956 1.00 20.30 C ATOM 0 H VAL A 90 17.994 5.030 -4.973 1.00 34.35 H new ATOM 0 HA VAL A 90 19.206 6.602 -7.167 1.00 54.20 H new ATOM 0 HB VAL A 90 18.236 4.735 -8.598 1.00 40.21 H new ATOM 0 HG11 VAL A 90 20.192 3.232 -8.159 1.00 64.35 H new ATOM 0 HG12 VAL A 90 20.654 4.950 -8.156 1.00 64.35 H new ATOM 0 HG13 VAL A 90 20.472 4.075 -6.617 1.00 64.35 H new ATOM 0 HG21 VAL A 90 17.920 2.518 -7.512 1.00 20.30 H new ATOM 0 HG22 VAL A 90 18.046 3.297 -5.916 1.00 20.30 H new ATOM 0 HG23 VAL A 90 16.694 3.701 -7.000 1.00 20.30 H new ATOM 1320 N SER A 91 17.053 7.972 -7.220 1.00 3.32 N ATOM 1321 CA SER A 91 15.864 8.765 -7.571 1.00 23.42 C ATOM 1322 C SER A 91 15.683 8.823 -9.100 1.00 61.34 C ATOM 1323 O SER A 91 16.623 8.553 -9.861 1.00 15.00 O ATOM 1324 CB SER A 91 15.997 10.193 -6.996 1.00 62.31 C ATOM 1325 OG SER A 91 16.173 10.158 -5.591 1.00 54.34 O ATOM 0 H SER A 91 17.881 8.536 -7.026 1.00 3.32 H new ATOM 0 HA SER A 91 14.985 8.286 -7.139 1.00 23.42 H new ATOM 0 HB2 SER A 91 16.844 10.699 -7.460 1.00 62.31 H new ATOM 0 HB3 SER A 91 15.107 10.772 -7.241 1.00 62.31 H new ATOM 0 HG SER A 91 16.257 11.073 -5.249 1.00 54.34 H new ATOM 1331 N LYS A 92 14.467 9.191 -9.525 1.00 35.51 N ATOM 1332 CA LYS A 92 14.119 9.399 -10.944 1.00 61.23 C ATOM 1333 C LYS A 92 14.757 10.722 -11.437 1.00 62.44 C ATOM 1334 O LYS A 92 15.056 11.586 -10.603 1.00 24.25 O ATOM 1335 CB LYS A 92 12.571 9.430 -11.090 1.00 34.35 C ATOM 1336 CG LYS A 92 11.875 8.162 -10.567 1.00 31.31 C ATOM 1337 CD LYS A 92 10.342 8.235 -10.694 1.00 10.23 C ATOM 1338 CE LYS A 92 9.644 6.971 -10.183 1.00 64.11 C ATOM 1339 NZ LYS A 92 8.173 7.019 -10.417 1.00 3.44 N ATOM 0 H LYS A 92 13.686 9.355 -8.889 1.00 35.51 H new ATOM 0 HA LYS A 92 14.506 8.584 -11.555 1.00 61.23 H new ATOM 0 HB2 LYS A 92 12.182 10.295 -10.553 1.00 34.35 H new ATOM 0 HB3 LYS A 92 12.317 9.566 -12.141 1.00 34.35 H new ATOM 0 HG2 LYS A 92 12.241 7.297 -11.119 1.00 31.31 H new ATOM 0 HG3 LYS A 92 12.143 8.010 -9.521 1.00 31.31 H new ATOM 0 HD2 LYS A 92 9.976 9.097 -10.136 1.00 10.23 H new ATOM 0 HD3 LYS A 92 10.076 8.395 -11.739 1.00 10.23 H new ATOM 0 HE2 LYS A 92 10.063 6.097 -10.682 1.00 64.11 H new ATOM 0 HE3 LYS A 92 9.839 6.854 -9.117 1.00 64.11 H new ATOM 0 HZ1 LYS A 92 7.736 6.146 -10.058 1.00 3.44 H new ATOM 0 HZ2 LYS A 92 7.769 7.839 -9.920 1.00 3.44 H new ATOM 0 HZ3 LYS A 92 7.986 7.106 -11.436 1.00 3.44 H new ATOM 1353 N PRO A 93 14.990 10.908 -12.780 1.00 64.11 N ATOM 1354 CA PRO A 93 15.591 12.158 -13.326 1.00 63.22 C ATOM 1355 C PRO A 93 14.810 13.430 -12.913 1.00 73.33 C ATOM 1356 O PRO A 93 13.574 13.412 -12.850 1.00 34.44 O ATOM 1357 CB PRO A 93 15.564 11.943 -14.868 1.00 75.23 C ATOM 1358 CG PRO A 93 14.606 10.812 -15.091 1.00 63.05 C ATOM 1359 CD PRO A 93 14.725 9.931 -13.869 1.00 35.34 C ATOM 0 HA PRO A 93 16.596 12.327 -12.938 1.00 63.22 H new ATOM 0 HB2 PRO A 93 15.236 12.845 -15.385 1.00 75.23 H new ATOM 0 HB3 PRO A 93 16.556 11.700 -15.249 1.00 75.23 H new ATOM 0 HG2 PRO A 93 13.587 11.180 -15.211 1.00 63.05 H new ATOM 0 HG3 PRO A 93 14.855 10.260 -15.998 1.00 63.05 H new ATOM 0 HD2 PRO A 93 13.812 9.364 -13.689 1.00 35.34 H new ATOM 0 HD3 PRO A 93 15.535 9.208 -13.969 1.00 35.34 H new ATOM 1367 N GLN A 94 15.555 14.510 -12.617 1.00 3.43 N ATOM 1368 CA GLN A 94 14.985 15.805 -12.230 1.00 1.42 C ATOM 1369 C GLN A 94 14.289 16.451 -13.460 1.00 41.12 C ATOM 1370 O GLN A 94 14.998 16.882 -14.401 1.00 54.40 O ATOM 1371 CB GLN A 94 16.093 16.732 -11.651 1.00 15.45 C ATOM 1372 CG GLN A 94 15.580 18.067 -11.073 1.00 33.52 C ATOM 1373 CD GLN A 94 16.713 19.032 -10.706 1.00 22.02 C ATOM 1374 OE1 GLN A 94 17.139 19.843 -11.536 1.00 12.50 O ATOM 1375 NE2 GLN A 94 17.212 18.950 -9.477 1.00 51.50 N ATOM 1376 OXT GLN A 94 13.046 16.497 -13.497 1.00 37.82 O ATOM 0 H GLN A 94 16.575 14.505 -12.641 1.00 3.43 H new ATOM 0 HA GLN A 94 14.239 15.658 -11.449 1.00 1.42 H new ATOM 0 HB2 GLN A 94 16.625 16.193 -10.867 1.00 15.45 H new ATOM 0 HB3 GLN A 94 16.816 16.946 -12.438 1.00 15.45 H new ATOM 0 HG2 GLN A 94 14.924 18.544 -11.801 1.00 33.52 H new ATOM 0 HG3 GLN A 94 14.979 17.866 -10.186 1.00 33.52 H new ATOM 0 HE21 GLN A 94 16.836 18.268 -8.818 1.00 51.50 H new ATOM 0 HE22 GLN A 94 17.971 19.569 -9.193 1.00 51.50 H new TER 1385 GLN A 94 HETATM 1386 ZN ZN A 101 -6.131 0.027 -4.908 1.00 70.51 ZN HETATM 1387 ZN ZN A 102 5.189 7.938 4.082 1.00 55.21 ZN