USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 919 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 37 CYS SG : rot 180:sc= -3.69! USER MOD Set 1.2: A 107 HIS :FLIP no HD1:sc= 0.672 F(o=-5.3,f=-2.3) USER MOD Set 1.3: A 109 SER OG : rot 45:sc= 0.725 USER MOD Set 2.1: A 69 ASN : amide:sc= 0.186 K(o=0.86,f=-3.2!) USER MOD Set 2.2: A 73 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 75 SER OG : rot -126:sc= 0.677 USER MOD Set 3.1: A 53 THR OG1 : rot 77:sc= 1.19 USER MOD Set 3.2: A 91 TYR OH : rot 152:sc= 0.572 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= 0 (180deg=-0.12) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 4 HIS : no HD1:sc= -0.211 K(o=-0.21,f=-0.86) USER MOD Single : A 5 HIS : no HD1:sc= -0.0364 X(o=-0.036,f=-0.34) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS :FLIP no HD1:sc= -0.189 F(o=-0.86,f=-0.19) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 MET CE :methyl -166:sc= -0.044 (180deg=-0.304) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.532 K(o=0.53,f=-0.32) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 21 SER OG : rot 180:sc= -0.0563 USER MOD Single : A 22 MET CE :methyl 166:sc= -0.0814 (180deg=-0.431) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 47:sc= 0.137 USER MOD Single : A 26 MET CE :methyl -176:sc= 0 (180deg=-0.0226) USER MOD Single : A 28 SER OG : rot 180:sc= 0.181 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= -0.118 USER MOD Single : A 34 THR OG1 : rot -20:sc= -0.726 USER MOD Single : A 35 THR OG1 : rot 120:sc= -0.103 USER MOD Single : A 38 TYR OH : rot 130:sc= -0.758 USER MOD Single : A 41 THR OG1 : rot 170:sc= -1.44! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -147:sc= -2.76! (180deg=-4.94!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -14:sc= 0.00992 USER MOD Single : A 65 TYR OH : rot 30:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= -2.01! USER MOD Single : A 68 ASN : amide:sc= -0.091 X(o=-0.091,f=-0.052) USER MOD Single : A 79 GLN : amide:sc= -1.83! C(o=-1.8!,f=-3.3!) USER MOD Single : A 82 LYS NZ :NH3+ 165:sc= -0.0433 (180deg=-0.328) USER MOD Single : A 84 GLN : amide:sc= -2.8 K(o=-2.8,f=-5!) USER MOD Single : A 90 LYS NZ :NH3+ 172:sc= 1.13 (180deg=1.08) USER MOD Single : A 93 HIS : no HD1:sc= -1.8 K(o=-1.8,f=-3.9!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot -149:sc= 0.00345 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot -142:sc= -0.193 USER MOD Single : A 102 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.048) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 94:sc= 0.974 USER MOD Single : A 110 SER OG : rot 180:sc= 0.0452 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.344-172.646 40.420 1.00 52.12 N ATOM 2 CA MET A 1 18.775-172.279 40.315 1.00 51.22 C ATOM 3 C MET A 1 19.054-171.603 38.976 1.00 31.51 C ATOM 4 O MET A 1 19.365-172.264 37.980 1.00 43.23 O ATOM 5 CB MET A 1 19.675-173.515 40.491 1.00 33.04 C ATOM 6 CG MET A 1 19.566-174.166 41.866 1.00 72.33 C ATOM 7 SD MET A 1 20.637-175.609 42.043 1.00 4.50 S ATOM 8 CE MET A 1 20.230-176.143 43.706 1.00 20.10 C ATOM 0 H1 MET A 1 17.130-172.931 41.397 1.00 52.12 H new ATOM 0 H2 MET A 1 16.756-171.828 40.161 1.00 52.12 H new ATOM 0 H3 MET A 1 17.140-173.436 39.776 1.00 52.12 H new ATOM 0 HA MET A 1 19.005-171.576 41.116 1.00 51.22 H new ATOM 0 HB2 MET A 1 19.418-174.251 39.729 1.00 33.04 H new ATOM 0 HB3 MET A 1 20.711-173.226 40.318 1.00 33.04 H new ATOM 0 HG2 MET A 1 19.822-173.433 42.631 1.00 72.33 H new ATOM 0 HG3 MET A 1 18.532-174.463 42.042 1.00 72.33 H new ATOM 0 HE1 MET A 1 20.815-177.028 43.957 1.00 20.10 H new ATOM 0 HE2 MET A 1 20.459-175.344 44.411 1.00 20.10 H new ATOM 0 HE3 MET A 1 19.168-176.382 43.762 1.00 20.10 H new ATOM 20 N ALA A 2 18.916-170.280 38.955 1.00 23.30 N ATOM 21 CA ALA A 2 19.177-169.484 37.763 1.00 11.25 C ATOM 22 C ALA A 2 20.488-168.723 37.922 1.00 62.11 C ATOM 23 O ALA A 2 20.580-167.789 38.728 1.00 12.45 O ATOM 24 CB ALA A 2 18.026-168.515 37.509 1.00 63.04 C ATOM 0 H ALA A 2 18.621-169.732 39.763 1.00 23.30 H new ATOM 0 HA ALA A 2 19.260-170.151 36.905 1.00 11.25 H new ATOM 0 HB1 ALA A 2 18.236-167.927 36.615 1.00 63.04 H new ATOM 0 HB2 ALA A 2 17.103-169.076 37.366 1.00 63.04 H new ATOM 0 HB3 ALA A 2 17.916-167.848 38.364 1.00 63.04 H new ATOM 30 N HIS A 3 21.505-169.131 37.173 1.00 20.45 N ATOM 31 CA HIS A 3 22.820-168.507 37.264 1.00 41.31 C ATOM 32 C HIS A 3 22.824-167.161 36.534 1.00 14.54 C ATOM 33 O HIS A 3 23.258-167.058 35.386 1.00 61.24 O ATOM 34 CB HIS A 3 23.903-169.435 36.696 1.00 23.32 C ATOM 35 CG HIS A 3 25.297-168.912 36.883 1.00 30.41 C ATOM 36 ND1 HIS A 3 26.017-168.298 35.880 1.00 73.03 N ATOM 37 CD2 HIS A 3 26.102-168.911 37.972 1.00 73.32 C ATOM 38 CE1 HIS A 3 27.201-167.945 36.343 1.00 11.32 C ATOM 39 NE2 HIS A 3 27.279-168.304 37.610 1.00 30.43 N ATOM 0 H HIS A 3 21.445-169.891 36.496 1.00 20.45 H new ATOM 0 HA HIS A 3 23.044-168.330 38.316 1.00 41.31 H new ATOM 0 HB2 HIS A 3 23.822-170.411 37.175 1.00 23.32 H new ATOM 0 HB3 HIS A 3 23.720-169.586 35.632 1.00 23.32 H new ATOM 0 HD2 HIS A 3 25.862-169.313 38.945 1.00 73.32 H new ATOM 0 HE1 HIS A 3 27.976-167.446 35.780 1.00 11.32 H new ATOM 0 HE2 HIS A 3 28.082-168.155 38.221 1.00 30.43 H new ATOM 48 N HIS A 4 22.294-166.147 37.206 1.00 51.22 N ATOM 49 CA HIS A 4 22.251-164.788 36.678 1.00 51.34 C ATOM 50 C HIS A 4 23.665-164.204 36.634 1.00 0.14 C ATOM 51 O HIS A 4 24.322-164.092 37.669 1.00 74.33 O ATOM 52 CB HIS A 4 21.328-163.936 37.565 1.00 24.43 C ATOM 53 CG HIS A 4 21.115-162.529 37.086 1.00 72.12 C ATOM 54 ND1 HIS A 4 21.397-161.422 37.856 1.00 51.04 N ATOM 55 CD2 HIS A 4 20.606-162.055 35.924 1.00 71.54 C ATOM 56 CE1 HIS A 4 21.071-160.331 37.192 1.00 1.32 C ATOM 57 NE2 HIS A 4 20.592-160.685 36.016 1.00 72.33 N ATOM 0 H HIS A 4 21.881-166.243 38.134 1.00 51.22 H new ATOM 0 HA HIS A 4 21.857-164.792 35.662 1.00 51.34 H new ATOM 0 HB2 HIS A 4 20.359-164.431 37.637 1.00 24.43 H new ATOM 0 HB3 HIS A 4 21.745-163.903 38.572 1.00 24.43 H new ATOM 0 HD2 HIS A 4 20.273-162.644 35.082 1.00 71.54 H new ATOM 0 HE1 HIS A 4 21.178-159.318 37.551 1.00 1.32 H new ATOM 0 HE2 HIS A 4 20.264-160.045 35.292 1.00 72.33 H new ATOM 66 N HIS A 5 24.141-163.856 35.433 1.00 1.20 N ATOM 67 CA HIS A 5 25.521-163.393 35.266 1.00 3.11 C ATOM 68 C HIS A 5 25.774-162.087 36.030 1.00 72.12 C ATOM 69 O HIS A 5 26.778-161.970 36.729 1.00 25.44 O ATOM 70 CB HIS A 5 25.901-163.272 33.777 1.00 71.20 C ATOM 71 CG HIS A 5 25.046-162.351 32.956 1.00 35.25 C ATOM 72 ND1 HIS A 5 23.876-162.749 32.345 1.00 61.31 N ATOM 73 CD2 HIS A 5 25.220-161.053 32.614 1.00 64.31 C ATOM 74 CE1 HIS A 5 23.371-161.738 31.664 1.00 14.53 C ATOM 75 NE2 HIS A 5 24.166-160.698 31.812 1.00 10.22 N ATOM 0 H HIS A 5 23.596-163.886 34.571 1.00 1.20 H new ATOM 0 HA HIS A 5 26.174-164.149 35.702 1.00 3.11 H new ATOM 0 HB2 HIS A 5 26.934-162.932 33.712 1.00 71.20 H new ATOM 0 HB3 HIS A 5 25.864-164.266 33.330 1.00 71.20 H new ATOM 0 HD2 HIS A 5 26.037-160.415 32.917 1.00 64.31 H new ATOM 0 HE1 HIS A 5 22.460-161.759 31.084 1.00 14.53 H new ATOM 0 HE2 HIS A 5 24.021-159.778 31.397 1.00 10.22 H new ATOM 84 N HIS A 6 24.870-161.111 35.881 1.00 74.41 N ATOM 85 CA HIS A 6 24.836-159.900 36.733 1.00 62.44 C ATOM 86 C HIS A 6 26.012-158.924 36.516 1.00 42.35 C ATOM 87 O HIS A 6 25.840-157.720 36.693 1.00 32.12 O ATOM 88 CB HIS A 6 24.755-160.306 38.215 1.00 4.33 C ATOM 89 CG HIS A 6 24.713-159.149 39.173 1.00 54.12 C ATOM 90 ND1 HIS A 6 23.551-158.499 39.525 1.00 25.22 N ATOM 91 CD2 HIS A 6 25.707-158.533 39.861 1.00 51.05 C ATOM 92 CE1 HIS A 6 23.829-157.538 40.382 1.00 34.00 C ATOM 93 NE2 HIS A 6 25.128-157.535 40.605 1.00 2.42 N ATOM 0 H HIS A 6 24.139-161.132 35.170 1.00 74.41 H new ATOM 0 HA HIS A 6 23.943-159.352 36.431 1.00 62.44 H new ATOM 0 HB2 HIS A 6 23.865-160.918 38.364 1.00 4.33 H new ATOM 0 HB3 HIS A 6 25.615-160.931 38.456 1.00 4.33 H new ATOM 0 HD2 HIS A 6 26.758-158.781 39.829 1.00 51.05 H new ATOM 0 HE1 HIS A 6 23.112-156.865 40.828 1.00 34.00 H new ATOM 0 HE2 HIS A 6 25.622-156.896 41.228 1.00 2.42 H new ATOM 102 N HIS A 7 27.195-159.429 36.161 1.00 3.41 N ATOM 103 CA HIS A 7 28.403-158.591 36.073 1.00 22.42 C ATOM 104 C HIS A 7 28.200-157.386 35.146 1.00 74.24 C ATOM 105 O HIS A 7 27.882-157.538 33.966 1.00 22.25 O ATOM 106 CB HIS A 7 29.620-159.411 35.610 1.00 14.31 C ATOM 107 CG HIS A 7 29.517-159.949 34.210 1.00 52.42 C ATOM 108 ND1 HIS A 7 28.857-161.024 33.724 1.00 2.02 N flip ATOM 109 CD2 HIS A 7 30.159-159.380 33.128 1.00 55.24 C flip ATOM 110 CE1 HIS A 7 29.110-161.087 32.376 1.00 30.14 C flip ATOM 111 NE2 HIS A 7 29.896-160.085 32.044 1.00 45.03 N flip ATOM 0 H HIS A 7 27.347-160.411 35.929 1.00 3.41 H new ATOM 0 HA HIS A 7 28.595-158.215 37.078 1.00 22.42 H new ATOM 0 HB2 HIS A 7 30.510-158.786 35.680 1.00 14.31 H new ATOM 0 HB3 HIS A 7 29.761-160.246 36.296 1.00 14.31 H new ATOM 0 HD2 HIS A 7 30.779-158.496 33.163 1.00 55.24 H new ATOM 0 HE1 HIS A 7 28.727-161.836 31.699 1.00 30.14 H new ATOM 0 HE2 HIS A 7 30.244-159.887 31.106 1.00 45.03 H new ATOM 120 N HIS A 8 28.392-156.190 35.700 1.00 1.42 N ATOM 121 CA HIS A 8 28.239-154.940 34.958 1.00 40.41 C ATOM 122 C HIS A 8 29.553-154.158 34.992 1.00 31.21 C ATOM 123 O HIS A 8 29.967-153.675 36.046 1.00 1.54 O ATOM 124 CB HIS A 8 27.095-154.113 35.569 1.00 5.14 C ATOM 125 CG HIS A 8 26.917-152.748 34.967 1.00 51.02 C ATOM 126 ND1 HIS A 8 26.179-152.516 33.829 1.00 43.10 N ATOM 127 CD2 HIS A 8 27.370-151.536 35.371 1.00 71.51 C ATOM 128 CE1 HIS A 8 26.186-151.224 33.559 1.00 10.51 C ATOM 129 NE2 HIS A 8 26.899-150.604 34.479 1.00 62.52 N ATOM 0 H HIS A 8 28.658-156.060 36.676 1.00 1.42 H new ATOM 0 HA HIS A 8 27.992-155.157 33.919 1.00 40.41 H new ATOM 0 HB2 HIS A 8 26.164-154.668 35.458 1.00 5.14 H new ATOM 0 HB3 HIS A 8 27.275-154.003 36.638 1.00 5.14 H new ATOM 0 HD2 HIS A 8 27.987-151.339 36.235 1.00 71.51 H new ATOM 0 HE1 HIS A 8 25.690-150.753 32.723 1.00 10.51 H new ATOM 0 HE2 HIS A 8 27.072-149.600 34.521 1.00 62.52 H new ATOM 138 N MET A 9 30.212-154.054 33.843 1.00 32.43 N ATOM 139 CA MET A 9 31.523-153.408 33.751 1.00 63.23 C ATOM 140 C MET A 9 31.410-152.029 33.098 1.00 31.31 C ATOM 141 O MET A 9 30.513-151.789 32.287 1.00 61.42 O ATOM 142 CB MET A 9 32.482-154.294 32.941 1.00 35.41 C ATOM 143 CG MET A 9 33.874-153.701 32.755 1.00 51.11 C ATOM 144 SD MET A 9 34.909-154.680 31.643 1.00 3.44 S ATOM 145 CE MET A 9 35.045-156.219 32.552 1.00 24.31 C ATOM 0 H MET A 9 29.859-154.411 32.955 1.00 32.43 H new ATOM 0 HA MET A 9 31.914-153.276 34.760 1.00 63.23 H new ATOM 0 HB2 MET A 9 32.574-155.260 33.438 1.00 35.41 H new ATOM 0 HB3 MET A 9 32.045-154.481 31.960 1.00 35.41 H new ATOM 0 HG2 MET A 9 33.783-152.688 32.362 1.00 51.11 H new ATOM 0 HG3 MET A 9 34.364-153.623 33.726 1.00 51.11 H new ATOM 0 HE1 MET A 9 35.843-156.825 32.124 1.00 24.31 H new ATOM 0 HE2 MET A 9 35.272-156.006 33.597 1.00 24.31 H new ATOM 0 HE3 MET A 9 34.103-156.763 32.489 1.00 24.31 H new ATOM 155 N GLY A 10 32.314-151.128 33.468 1.00 41.12 N ATOM 156 CA GLY A 10 32.388-149.816 32.847 1.00 0.44 C ATOM 157 C GLY A 10 33.720-149.603 32.150 1.00 11.55 C ATOM 158 O GLY A 10 34.636-150.414 32.299 1.00 74.43 O ATOM 0 H GLY A 10 33.008-151.286 34.199 1.00 41.12 H new ATOM 0 HA2 GLY A 10 31.578-149.708 32.126 1.00 0.44 H new ATOM 0 HA3 GLY A 10 32.246-149.045 33.605 1.00 0.44 H new ATOM 162 N THR A 11 33.836-148.513 31.404 1.00 73.24 N ATOM 163 CA THR A 11 35.056-148.209 30.658 1.00 53.21 C ATOM 164 C THR A 11 35.570-146.811 31.028 1.00 62.12 C ATOM 165 O THR A 11 34.822-145.993 31.577 1.00 32.23 O ATOM 166 CB THR A 11 34.789-148.285 29.133 1.00 24.22 C ATOM 167 OG1 THR A 11 34.042-149.472 28.825 1.00 5.43 O ATOM 168 CG2 THR A 11 36.086-148.294 28.328 1.00 21.21 C ATOM 0 H THR A 11 33.097-147.819 31.297 1.00 73.24 H new ATOM 0 HA THR A 11 35.814-148.947 30.920 1.00 53.21 H new ATOM 0 HB THR A 11 34.220-147.397 28.859 1.00 24.22 H new ATOM 0 HG1 THR A 11 33.875-149.513 27.860 1.00 5.43 H new ATOM 0 HG21 THR A 11 35.854-148.348 27.264 1.00 21.21 H new ATOM 0 HG22 THR A 11 36.647-147.382 28.531 1.00 21.21 H new ATOM 0 HG23 THR A 11 36.685-149.159 28.613 1.00 21.21 H new ATOM 176 N LEU A 12 36.847-146.551 30.752 1.00 73.43 N ATOM 177 CA LEU A 12 37.447-145.234 30.977 1.00 60.44 C ATOM 178 C LEU A 12 37.739-144.561 29.635 1.00 2.34 C ATOM 179 O LEU A 12 38.101-145.234 28.663 1.00 43.41 O ATOM 180 CB LEU A 12 38.751-145.342 31.793 1.00 50.00 C ATOM 181 CG LEU A 12 38.604-145.846 33.247 1.00 32.44 C ATOM 182 CD1 LEU A 12 38.241-147.330 33.294 1.00 40.14 C ATOM 183 CD2 LEU A 12 39.885-145.580 34.036 1.00 54.24 C ATOM 0 H LEU A 12 37.492-147.241 30.369 1.00 73.43 H new ATOM 0 HA LEU A 12 36.737-144.634 31.546 1.00 60.44 H new ATOM 0 HB2 LEU A 12 39.431-146.010 31.265 1.00 50.00 H new ATOM 0 HB3 LEU A 12 39.223-144.360 31.816 1.00 50.00 H new ATOM 0 HG LEU A 12 37.786-145.293 33.709 1.00 32.44 H new ATOM 0 HD11 LEU A 12 38.146-147.649 34.332 1.00 40.14 H new ATOM 0 HD12 LEU A 12 37.295-147.490 32.777 1.00 40.14 H new ATOM 0 HD13 LEU A 12 39.023-147.912 32.806 1.00 40.14 H new ATOM 0 HD21 LEU A 12 39.765-145.941 35.057 1.00 54.24 H new ATOM 0 HD22 LEU A 12 40.718-146.100 33.563 1.00 54.24 H new ATOM 0 HD23 LEU A 12 40.087-144.509 34.051 1.00 54.24 H new ATOM 195 N GLU A 13 37.587-143.241 29.588 1.00 52.03 N ATOM 196 CA GLU A 13 37.839-142.471 28.370 1.00 22.25 C ATOM 197 C GLU A 13 38.728-141.267 28.680 1.00 62.32 C ATOM 198 O GLU A 13 39.075-141.026 29.842 1.00 2.42 O ATOM 199 CB GLU A 13 36.513-142.003 27.750 1.00 51.21 C ATOM 200 CG GLU A 13 35.713-141.058 28.643 1.00 55.21 C ATOM 201 CD GLU A 13 34.412-140.599 28.002 1.00 31.33 C ATOM 202 OE1 GLU A 13 34.448-139.662 27.174 1.00 54.41 O ATOM 203 OE2 GLU A 13 33.345-141.166 28.328 1.00 45.33 O ATOM 0 H GLU A 13 37.289-142.677 30.384 1.00 52.03 H new ATOM 0 HA GLU A 13 38.353-143.112 27.654 1.00 22.25 H new ATOM 0 HB2 GLU A 13 36.722-141.504 26.804 1.00 51.21 H new ATOM 0 HB3 GLU A 13 35.902-142.876 27.522 1.00 51.21 H new ATOM 0 HG2 GLU A 13 35.491-141.558 29.586 1.00 55.21 H new ATOM 0 HG3 GLU A 13 36.323-140.186 28.880 1.00 55.21 H new ATOM 210 N ALA A 14 39.093-140.520 27.640 1.00 75.13 N ATOM 211 CA ALA A 14 39.907-139.317 27.792 1.00 74.41 C ATOM 212 C ALA A 14 39.622-138.333 26.658 1.00 5.34 C ATOM 213 O ALA A 14 39.712-138.693 25.479 1.00 31.41 O ATOM 214 CB ALA A 14 41.391-139.675 27.827 1.00 21.45 C ATOM 0 H ALA A 14 38.835-140.730 26.676 1.00 75.13 H new ATOM 0 HA ALA A 14 39.645-138.841 28.737 1.00 74.41 H new ATOM 0 HB1 ALA A 14 41.982-138.766 27.941 1.00 21.45 H new ATOM 0 HB2 ALA A 14 41.585-140.341 28.668 1.00 21.45 H new ATOM 0 HB3 ALA A 14 41.667-140.173 26.898 1.00 21.45 H new ATOM 220 N GLN A 15 39.271-137.103 27.016 1.00 73.23 N ATOM 221 CA GLN A 15 38.973-136.059 26.038 1.00 10.44 C ATOM 222 C GLN A 15 40.052-134.979 26.073 1.00 33.22 C ATOM 223 O GLN A 15 40.842-134.916 27.019 1.00 53.33 O ATOM 224 CB GLN A 15 37.594-135.457 26.326 1.00 53.15 C ATOM 225 CG GLN A 15 36.472-136.494 26.327 1.00 42.52 C ATOM 226 CD GLN A 15 35.128-135.917 26.730 1.00 12.50 C ATOM 227 OE1 GLN A 15 34.837-134.745 26.486 1.00 73.33 O ATOM 228 NE2 GLN A 15 34.302-136.735 27.358 1.00 64.32 N ATOM 0 H GLN A 15 39.185-136.801 27.986 1.00 73.23 H new ATOM 0 HA GLN A 15 38.961-136.496 25.040 1.00 10.44 H new ATOM 0 HB2 GLN A 15 37.618-134.957 27.294 1.00 53.15 H new ATOM 0 HB3 GLN A 15 37.374-134.695 25.579 1.00 53.15 H new ATOM 0 HG2 GLN A 15 36.389-136.932 25.332 1.00 42.52 H new ATOM 0 HG3 GLN A 15 36.733-137.302 27.010 1.00 42.52 H new ATOM 0 HE21 GLN A 15 34.580-137.699 27.541 1.00 64.32 H new ATOM 0 HE22 GLN A 15 33.386-136.402 27.659 1.00 64.32 H new ATOM 237 N THR A 16 40.086-134.133 25.047 1.00 2.53 N ATOM 238 CA THR A 16 41.125-133.112 24.919 1.00 64.02 C ATOM 239 C THR A 16 40.533-131.751 24.546 1.00 10.20 C ATOM 240 O THR A 16 39.311-131.585 24.475 1.00 24.02 O ATOM 241 CB THR A 16 42.176-133.536 23.862 1.00 64.03 C ATOM 242 OG1 THR A 16 41.517-133.978 22.664 1.00 72.31 O ATOM 243 CG2 THR A 16 43.076-134.649 24.394 1.00 44.12 C ATOM 0 H THR A 16 39.404-134.134 24.289 1.00 2.53 H new ATOM 0 HA THR A 16 41.611-133.016 25.890 1.00 64.02 H new ATOM 0 HB THR A 16 42.798-132.669 23.638 1.00 64.03 H new ATOM 0 HG1 THR A 16 42.188-134.243 22.000 1.00 72.31 H new ATOM 0 HG21 THR A 16 43.803-134.925 23.630 1.00 44.12 H new ATOM 0 HG22 THR A 16 43.600-134.299 25.284 1.00 44.12 H new ATOM 0 HG23 THR A 16 42.469-135.518 24.648 1.00 44.12 H new ATOM 251 N GLN A 17 41.412-130.775 24.330 1.00 71.03 N ATOM 252 CA GLN A 17 41.014-129.420 23.951 1.00 43.41 C ATOM 253 C GLN A 17 41.817-128.966 22.731 1.00 71.34 C ATOM 254 O GLN A 17 42.911-129.474 22.479 1.00 24.31 O ATOM 255 CB GLN A 17 41.251-128.462 25.129 1.00 10.42 C ATOM 256 CG GLN A 17 40.880-127.010 24.840 1.00 13.32 C ATOM 257 CD GLN A 17 41.216-126.080 25.993 1.00 52.11 C ATOM 258 OE1 GLN A 17 41.197-126.482 27.157 1.00 64.41 O ATOM 259 NE2 GLN A 17 41.535-124.835 25.682 1.00 14.45 N ATOM 0 H GLN A 17 42.421-130.901 24.413 1.00 71.03 H new ATOM 0 HA GLN A 17 39.954-129.413 23.697 1.00 43.41 H new ATOM 0 HB2 GLN A 17 40.674-128.809 25.986 1.00 10.42 H new ATOM 0 HB3 GLN A 17 42.302-128.507 25.413 1.00 10.42 H new ATOM 0 HG2 GLN A 17 41.404-126.676 23.945 1.00 13.32 H new ATOM 0 HG3 GLN A 17 39.813-126.947 24.627 1.00 13.32 H new ATOM 0 HE21 GLN A 17 41.540-124.538 24.706 1.00 14.45 H new ATOM 0 HE22 GLN A 17 41.776-124.171 26.418 1.00 14.45 H new ATOM 268 N GLY A 18 41.261-128.029 21.968 1.00 1.13 N ATOM 269 CA GLY A 18 41.962-127.475 20.823 1.00 52.34 C ATOM 270 C GLY A 18 41.420-126.113 20.431 1.00 34.32 C ATOM 271 O GLY A 18 40.206-125.895 20.483 1.00 71.43 O ATOM 0 H GLY A 18 40.331-127.641 22.124 1.00 1.13 H new ATOM 0 HA2 GLY A 18 43.024-127.390 21.054 1.00 52.34 H new ATOM 0 HA3 GLY A 18 41.873-128.158 19.978 1.00 52.34 H new ATOM 275 N PRO A 19 42.297-125.166 20.044 1.00 11.21 N ATOM 276 CA PRO A 19 41.903-123.823 19.648 1.00 44.43 C ATOM 277 C PRO A 19 41.738-123.697 18.132 1.00 61.53 C ATOM 278 O PRO A 19 41.526-124.695 17.434 1.00 33.10 O ATOM 279 CB PRO A 19 43.090-122.994 20.145 1.00 34.13 C ATOM 280 CG PRO A 19 44.282-123.898 20.004 1.00 11.35 C ATOM 281 CD PRO A 19 43.761-125.324 19.956 1.00 74.15 C ATOM 0 HA PRO A 19 40.939-123.515 20.053 1.00 44.43 H new ATOM 0 HB2 PRO A 19 43.212-122.086 19.555 1.00 34.13 H new ATOM 0 HB3 PRO A 19 42.949-122.685 21.181 1.00 34.13 H new ATOM 0 HG2 PRO A 19 44.839-123.661 19.098 1.00 11.35 H new ATOM 0 HG3 PRO A 19 44.966-123.766 20.842 1.00 11.35 H new ATOM 0 HD2 PRO A 19 44.055-125.826 19.034 1.00 74.15 H new ATOM 0 HD3 PRO A 19 44.150-125.920 20.782 1.00 74.15 H new ATOM 289 N GLY A 20 41.844-122.469 17.635 1.00 53.25 N ATOM 290 CA GLY A 20 41.706-122.209 16.212 1.00 63.03 C ATOM 291 C GLY A 20 42.014-120.760 15.883 1.00 10.53 C ATOM 292 O GLY A 20 41.963-119.900 16.766 1.00 74.25 O ATOM 0 H GLY A 20 42.025-121.639 18.200 1.00 53.25 H new ATOM 0 HA2 GLY A 20 42.378-122.861 15.654 1.00 63.03 H new ATOM 0 HA3 GLY A 20 40.692-122.449 15.893 1.00 63.03 H new ATOM 296 N SER A 21 42.346-120.491 14.626 1.00 73.15 N ATOM 297 CA SER A 21 42.661-119.137 14.179 1.00 14.22 C ATOM 298 C SER A 21 41.410-118.474 13.600 1.00 10.43 C ATOM 299 O SER A 21 40.370-119.125 13.445 1.00 10.21 O ATOM 300 CB SER A 21 43.786-119.175 13.133 1.00 12.32 C ATOM 301 OG SER A 21 44.233-117.869 12.802 1.00 22.03 O ATOM 0 H SER A 21 42.405-121.197 13.893 1.00 73.15 H new ATOM 0 HA SER A 21 43.002-118.550 15.032 1.00 14.22 H new ATOM 0 HB2 SER A 21 44.622-119.760 13.517 1.00 12.32 H new ATOM 0 HB3 SER A 21 43.431-119.678 12.234 1.00 12.32 H new ATOM 0 HG SER A 21 44.950-117.927 12.136 1.00 22.03 H new ATOM 307 N MET A 22 41.509-117.184 13.283 1.00 63.14 N ATOM 308 CA MET A 22 40.377-116.438 12.742 1.00 73.31 C ATOM 309 C MET A 22 40.836-115.135 12.088 1.00 20.42 C ATOM 310 O MET A 22 41.606-114.372 12.675 1.00 43.13 O ATOM 311 CB MET A 22 39.349-116.135 13.847 1.00 54.34 C ATOM 312 CG MET A 22 38.165-115.296 13.376 1.00 52.42 C ATOM 313 SD MET A 22 37.272-116.052 11.999 1.00 3.25 S ATOM 314 CE MET A 22 36.731-117.593 12.738 1.00 22.13 C ATOM 0 H MET A 22 42.362-116.635 13.392 1.00 63.14 H new ATOM 0 HA MET A 22 39.906-117.059 11.980 1.00 73.31 H new ATOM 0 HB2 MET A 22 38.977-117.076 14.251 1.00 54.34 H new ATOM 0 HB3 MET A 22 39.850-115.613 14.663 1.00 54.34 H new ATOM 0 HG2 MET A 22 37.478-115.146 14.209 1.00 52.42 H new ATOM 0 HG3 MET A 22 38.521-114.311 13.075 1.00 52.42 H new ATOM 0 HE1 MET A 22 35.969-118.051 12.108 1.00 22.13 H new ATOM 0 HE2 MET A 22 37.580-118.270 12.831 1.00 22.13 H new ATOM 0 HE3 MET A 22 36.314-117.396 13.726 1.00 22.13 H new ATOM 324 N GLN A 23 40.364-114.898 10.866 1.00 42.32 N ATOM 325 CA GLN A 23 40.604-113.643 10.163 1.00 71.32 C ATOM 326 C GLN A 23 39.451-113.379 9.195 1.00 74.11 C ATOM 327 O GLN A 23 39.076-114.259 8.416 1.00 61.22 O ATOM 328 CB GLN A 23 41.943-113.676 9.409 1.00 23.42 C ATOM 329 CG GLN A 23 42.326-112.331 8.791 1.00 73.31 C ATOM 330 CD GLN A 23 43.644-112.376 8.033 1.00 45.10 C ATOM 331 OE1 GLN A 23 43.676-112.653 6.833 1.00 2.12 O ATOM 332 NE2 GLN A 23 44.739-112.090 8.719 1.00 73.02 N ATOM 0 H GLN A 23 39.806-115.569 10.338 1.00 42.32 H new ATOM 0 HA GLN A 23 40.658-112.836 10.893 1.00 71.32 H new ATOM 0 HB2 GLN A 23 42.730-113.989 10.095 1.00 23.42 H new ATOM 0 HB3 GLN A 23 41.889-114.427 8.621 1.00 23.42 H new ATOM 0 HG2 GLN A 23 41.535-112.011 8.113 1.00 73.31 H new ATOM 0 HG3 GLN A 23 42.393-111.581 9.580 1.00 73.31 H new ATOM 0 HE21 GLN A 23 44.675-111.865 9.712 1.00 73.02 H new ATOM 0 HE22 GLN A 23 45.647-112.094 8.255 1.00 73.02 H new ATOM 341 N GLY A 24 38.882-112.180 9.266 1.00 4.42 N ATOM 342 CA GLY A 24 37.729-111.845 8.446 1.00 12.50 C ATOM 343 C GLY A 24 38.097-111.122 7.162 1.00 71.41 C ATOM 344 O GLY A 24 39.240-110.685 6.985 1.00 61.51 O ATOM 0 H GLY A 24 39.200-111.430 9.880 1.00 4.42 H new ATOM 0 HA2 GLY A 24 37.189-112.759 8.199 1.00 12.50 H new ATOM 0 HA3 GLY A 24 37.049-111.220 9.025 1.00 12.50 H new ATOM 348 N SER A 25 37.120-111.005 6.268 1.00 41.01 N ATOM 349 CA SER A 25 37.284-110.305 5.000 1.00 14.24 C ATOM 350 C SER A 25 35.909-109.945 4.430 1.00 14.43 C ATOM 351 O SER A 25 35.153-110.818 3.992 1.00 11.33 O ATOM 352 CB SER A 25 38.083-111.172 4.017 1.00 34.44 C ATOM 353 OG SER A 25 37.569-112.496 3.960 1.00 60.00 O ATOM 0 H SER A 25 36.188-111.395 6.404 1.00 41.01 H new ATOM 0 HA SER A 25 37.842-109.383 5.162 1.00 14.24 H new ATOM 0 HB2 SER A 25 38.050-110.724 3.024 1.00 34.44 H new ATOM 0 HB3 SER A 25 39.130-111.199 4.320 1.00 34.44 H new ATOM 0 HG SER A 25 36.594-112.465 3.870 1.00 60.00 H new ATOM 359 N MET A 26 35.575-108.661 4.474 1.00 62.34 N ATOM 360 CA MET A 26 34.257-108.184 4.055 1.00 2.51 C ATOM 361 C MET A 26 34.362-107.374 2.762 1.00 11.11 C ATOM 362 O MET A 26 35.402-106.768 2.491 1.00 5.31 O ATOM 363 CB MET A 26 33.626-107.325 5.165 1.00 50.04 C ATOM 364 CG MET A 26 33.436-108.060 6.490 1.00 55.43 C ATOM 365 SD MET A 26 34.998-108.606 7.219 1.00 2.11 S ATOM 366 CE MET A 26 34.427-109.400 8.720 1.00 34.05 C ATOM 0 H MET A 26 36.202-107.924 4.798 1.00 62.34 H new ATOM 0 HA MET A 26 33.621-109.050 3.871 1.00 2.51 H new ATOM 0 HB2 MET A 26 34.254-106.450 5.334 1.00 50.04 H new ATOM 0 HB3 MET A 26 32.658-106.961 4.822 1.00 50.04 H new ATOM 0 HG2 MET A 26 32.922-107.405 7.193 1.00 55.43 H new ATOM 0 HG3 MET A 26 32.792-108.925 6.331 1.00 55.43 H new ATOM 0 HE1 MET A 26 35.285-109.724 9.309 1.00 34.05 H new ATOM 0 HE2 MET A 26 33.833-108.695 9.301 1.00 34.05 H new ATOM 0 HE3 MET A 26 33.816-110.265 8.464 1.00 34.05 H new ATOM 376 N PRO A 27 33.295-107.374 1.934 1.00 74.34 N ATOM 377 CA PRO A 27 33.245-106.574 0.704 1.00 71.44 C ATOM 378 C PRO A 27 33.002-105.091 1.000 1.00 34.14 C ATOM 379 O PRO A 27 32.886-104.692 2.164 1.00 11.14 O ATOM 380 CB PRO A 27 32.061-107.185 -0.057 1.00 53.44 C ATOM 381 CG PRO A 27 31.154-107.684 1.016 1.00 33.13 C ATOM 382 CD PRO A 27 32.059-108.165 2.124 1.00 61.22 C ATOM 0 HA PRO A 27 34.181-106.600 0.145 1.00 71.44 H new ATOM 0 HB2 PRO A 27 31.566-106.444 -0.684 1.00 53.44 H new ATOM 0 HB3 PRO A 27 32.384-107.993 -0.713 1.00 53.44 H new ATOM 0 HG2 PRO A 27 30.491-106.893 1.367 1.00 33.13 H new ATOM 0 HG3 PRO A 27 30.521-108.492 0.649 1.00 33.13 H new ATOM 0 HD2 PRO A 27 31.618-107.990 3.106 1.00 61.22 H new ATOM 0 HD3 PRO A 27 32.252-109.235 2.047 1.00 61.22 H new ATOM 390 N SER A 28 32.911-104.283 -0.049 1.00 3.22 N ATOM 391 CA SER A 28 32.725-102.845 0.105 1.00 34.34 C ATOM 392 C SER A 28 31.988-102.280 -1.113 1.00 61.20 C ATOM 393 O SER A 28 31.497-103.044 -1.949 1.00 25.04 O ATOM 394 CB SER A 28 34.091-102.165 0.286 1.00 12.32 C ATOM 395 OG SER A 28 33.948-100.807 0.670 1.00 70.24 O ATOM 0 H SER A 28 32.963-104.599 -1.017 1.00 3.22 H new ATOM 0 HA SER A 28 32.120-102.647 0.990 1.00 34.34 H new ATOM 0 HB2 SER A 28 34.667-102.699 1.041 1.00 12.32 H new ATOM 0 HB3 SER A 28 34.654-102.224 -0.645 1.00 12.32 H new ATOM 0 HG SER A 28 34.834-100.403 0.779 1.00 70.24 H new ATOM 401 N SER A 29 31.906-100.946 -1.191 1.00 60.23 N ATOM 402 CA SER A 29 31.236-100.248 -2.293 1.00 32.34 C ATOM 403 C SER A 29 29.720-100.473 -2.252 1.00 73.11 C ATOM 404 O SER A 29 29.244-101.502 -1.765 1.00 31.03 O ATOM 405 CB SER A 29 31.815-100.698 -3.643 1.00 33.44 C ATOM 406 OG SER A 29 33.232-100.580 -3.656 1.00 52.53 O ATOM 0 H SER A 29 32.303-100.320 -0.490 1.00 60.23 H new ATOM 0 HA SER A 29 31.417 -99.180 -2.176 1.00 32.34 H new ATOM 0 HB2 SER A 29 31.531-101.732 -3.838 1.00 33.44 H new ATOM 0 HB3 SER A 29 31.389-100.094 -4.444 1.00 33.44 H new ATOM 0 HG SER A 29 33.577-100.874 -4.525 1.00 52.53 H new ATOM 412 N SER A 30 28.961 -99.504 -2.753 1.00 64.34 N ATOM 413 CA SER A 30 27.504 -99.598 -2.758 1.00 21.24 C ATOM 414 C SER A 30 26.920 -98.952 -4.011 1.00 2.22 C ATOM 415 O SER A 30 26.215 -99.600 -4.788 1.00 33.13 O ATOM 416 CB SER A 30 26.930 -98.930 -1.499 1.00 51.34 C ATOM 417 OG SER A 30 27.367 -97.580 -1.387 1.00 75.40 O ATOM 0 H SER A 30 29.330 -98.645 -3.161 1.00 64.34 H new ATOM 0 HA SER A 30 27.228-100.652 -2.760 1.00 21.24 H new ATOM 0 HB2 SER A 30 25.841 -98.961 -1.532 1.00 51.34 H new ATOM 0 HB3 SER A 30 27.238 -99.489 -0.615 1.00 51.34 H new ATOM 0 HG SER A 30 26.986 -97.179 -0.578 1.00 75.40 H new ATOM 423 N GLU A 31 27.231 -97.674 -4.201 1.00 40.24 N ATOM 424 CA GLU A 31 26.686 -96.886 -5.306 1.00 62.35 C ATOM 425 C GLU A 31 27.801 -96.399 -6.231 1.00 41.11 C ATOM 426 O GLU A 31 28.912 -96.121 -5.776 1.00 60.14 O ATOM 427 CB GLU A 31 25.927 -95.675 -4.744 1.00 12.31 C ATOM 428 CG GLU A 31 26.776 -94.815 -3.807 1.00 22.01 C ATOM 429 CD GLU A 31 26.053 -93.576 -3.306 1.00 14.11 C ATOM 430 OE1 GLU A 31 25.242 -93.693 -2.362 1.00 55.42 O ATOM 431 OE2 GLU A 31 26.299 -92.476 -3.844 1.00 62.50 O ATOM 0 H GLU A 31 27.867 -97.154 -3.596 1.00 40.24 H new ATOM 0 HA GLU A 31 26.009 -97.519 -5.881 1.00 62.35 H new ATOM 0 HB2 GLU A 31 25.574 -95.060 -5.571 1.00 12.31 H new ATOM 0 HB3 GLU A 31 25.045 -96.024 -4.207 1.00 12.31 H new ATOM 0 HG2 GLU A 31 27.084 -95.417 -2.952 1.00 22.01 H new ATOM 0 HG3 GLU A 31 27.684 -94.511 -4.327 1.00 22.01 H new ATOM 438 N ASP A 32 27.505 -96.320 -7.528 1.00 41.14 N ATOM 439 CA ASP A 32 28.420 -95.690 -8.487 1.00 53.41 C ATOM 440 C ASP A 32 27.813 -94.387 -9.000 1.00 74.21 C ATOM 441 O ASP A 32 28.526 -93.426 -9.299 1.00 0.32 O ATOM 442 CB ASP A 32 28.694 -96.637 -9.669 1.00 20.24 C ATOM 443 CG ASP A 32 29.654 -96.042 -10.694 1.00 71.33 C ATOM 444 OD1 ASP A 32 30.880 -96.089 -10.465 1.00 71.55 O ATOM 445 OD2 ASP A 32 29.192 -95.545 -11.744 1.00 22.21 O ATOM 0 H ASP A 32 26.645 -96.681 -7.940 1.00 41.14 H new ATOM 0 HA ASP A 32 29.363 -95.477 -7.983 1.00 53.41 H new ATOM 0 HB2 ASP A 32 29.107 -97.572 -9.291 1.00 20.24 H new ATOM 0 HB3 ASP A 32 27.751 -96.880 -10.159 1.00 20.24 H new ATOM 450 N VAL A 33 26.484 -94.362 -9.074 1.00 64.33 N ATOM 451 CA VAL A 33 25.732 -93.185 -9.496 1.00 3.41 C ATOM 452 C VAL A 33 24.501 -93.010 -8.608 1.00 52.31 C ATOM 453 O VAL A 33 23.756 -93.963 -8.380 1.00 55.05 O ATOM 454 CB VAL A 33 25.275 -93.292 -10.981 1.00 32.24 C ATOM 455 CG1 VAL A 33 24.409 -92.097 -11.380 1.00 21.34 C ATOM 456 CG2 VAL A 33 26.480 -93.422 -11.914 1.00 54.35 C ATOM 0 H VAL A 33 25.896 -95.163 -8.841 1.00 64.33 H new ATOM 0 HA VAL A 33 26.393 -92.323 -9.402 1.00 3.41 H new ATOM 0 HB VAL A 33 24.669 -94.193 -11.078 1.00 32.24 H new ATOM 0 HG11 VAL A 33 24.105 -92.200 -12.422 1.00 21.34 H new ATOM 0 HG12 VAL A 33 23.523 -92.061 -10.746 1.00 21.34 H new ATOM 0 HG13 VAL A 33 24.980 -91.177 -11.258 1.00 21.34 H new ATOM 0 HG21 VAL A 33 26.135 -93.495 -12.945 1.00 54.35 H new ATOM 0 HG22 VAL A 33 27.120 -92.546 -11.806 1.00 54.35 H new ATOM 0 HG23 VAL A 33 27.045 -94.318 -11.656 1.00 54.35 H new ATOM 466 N THR A 34 24.297 -91.800 -8.100 1.00 32.15 N ATOM 467 CA THR A 34 23.095 -91.475 -7.344 1.00 71.11 C ATOM 468 C THR A 34 21.977 -91.083 -8.310 1.00 2.24 C ATOM 469 O THR A 34 22.211 -90.342 -9.265 1.00 60.35 O ATOM 470 CB THR A 34 23.356 -90.320 -6.347 1.00 3.00 C ATOM 471 OG1 THR A 34 24.398 -90.686 -5.432 1.00 50.55 O ATOM 472 CG2 THR A 34 22.101 -89.965 -5.559 1.00 1.10 C ATOM 0 H THR A 34 24.953 -91.025 -8.199 1.00 32.15 H new ATOM 0 HA THR A 34 22.799 -92.354 -6.772 1.00 71.11 H new ATOM 0 HB THR A 34 23.658 -89.448 -6.927 1.00 3.00 H new ATOM 0 HG1 THR A 34 24.492 -91.661 -5.416 1.00 50.55 H new ATOM 0 HG21 THR A 34 22.323 -89.150 -4.869 1.00 1.10 H new ATOM 0 HG22 THR A 34 21.315 -89.654 -6.247 1.00 1.10 H new ATOM 0 HG23 THR A 34 21.766 -90.836 -4.996 1.00 1.10 H new ATOM 480 N THR A 35 20.778 -91.598 -8.087 1.00 71.32 N ATOM 481 CA THR A 35 19.649 -91.319 -8.964 1.00 44.34 C ATOM 482 C THR A 35 18.367 -91.191 -8.154 1.00 64.43 C ATOM 483 O THR A 35 18.111 -91.997 -7.255 1.00 74.11 O ATOM 484 CB THR A 35 19.492 -92.429 -10.027 1.00 51.43 C ATOM 485 OG1 THR A 35 20.685 -92.503 -10.825 1.00 13.30 O ATOM 486 CG2 THR A 35 18.280 -92.182 -10.930 1.00 62.32 C ATOM 0 H THR A 35 20.560 -92.214 -7.304 1.00 71.32 H new ATOM 0 HA THR A 35 19.842 -90.375 -9.474 1.00 44.34 H new ATOM 0 HB THR A 35 19.332 -93.373 -9.506 1.00 51.43 H new ATOM 0 HG1 THR A 35 21.080 -93.396 -10.741 1.00 13.30 H new ATOM 0 HG21 THR A 35 18.204 -92.984 -11.664 1.00 62.32 H new ATOM 0 HG22 THR A 35 17.374 -92.157 -10.324 1.00 62.32 H new ATOM 0 HG23 THR A 35 18.398 -91.229 -11.445 1.00 62.32 H new ATOM 494 N LEU A 36 17.590 -90.151 -8.449 1.00 13.40 N ATOM 495 CA LEU A 36 16.315 -89.917 -7.778 1.00 32.23 C ATOM 496 C LEU A 36 15.322 -89.259 -8.732 1.00 30.20 C ATOM 497 O LEU A 36 15.694 -88.397 -9.532 1.00 35.32 O ATOM 498 CB LEU A 36 16.481 -89.038 -6.520 1.00 70.33 C ATOM 499 CG LEU A 36 17.314 -89.648 -5.372 1.00 3.23 C ATOM 500 CD1 LEU A 36 18.769 -89.196 -5.446 1.00 10.31 C ATOM 501 CD2 LEU A 36 16.707 -89.309 -4.011 1.00 4.14 C ATOM 0 H LEU A 36 17.825 -89.452 -9.154 1.00 13.40 H new ATOM 0 HA LEU A 36 15.933 -90.889 -7.466 1.00 32.23 H new ATOM 0 HB2 LEU A 36 16.944 -88.097 -6.817 1.00 70.33 H new ATOM 0 HB3 LEU A 36 15.490 -88.798 -6.135 1.00 70.33 H new ATOM 0 HG LEU A 36 17.294 -90.732 -5.489 1.00 3.23 H new ATOM 0 HD11 LEU A 36 19.331 -89.642 -4.625 1.00 10.31 H new ATOM 0 HD12 LEU A 36 19.201 -89.513 -6.395 1.00 10.31 H new ATOM 0 HD13 LEU A 36 18.817 -88.110 -5.371 1.00 10.31 H new ATOM 0 HD21 LEU A 36 17.314 -89.751 -3.221 1.00 4.14 H new ATOM 0 HD22 LEU A 36 16.679 -88.227 -3.884 1.00 4.14 H new ATOM 0 HD23 LEU A 36 15.694 -89.707 -3.955 1.00 4.14 H new ATOM 513 N CYS A 37 14.064 -89.682 -8.650 1.00 71.23 N ATOM 514 CA CYS A 37 12.998 -89.113 -9.469 1.00 40.31 C ATOM 515 C CYS A 37 12.486 -87.817 -8.846 1.00 32.44 C ATOM 516 O CYS A 37 12.352 -87.720 -7.626 1.00 34.41 O ATOM 517 CB CYS A 37 11.848 -90.114 -9.610 1.00 1.21 C ATOM 518 SG CYS A 37 12.348 -91.725 -10.259 1.00 21.43 S ATOM 0 H CYS A 37 13.756 -90.423 -8.020 1.00 71.23 H new ATOM 0 HA CYS A 37 13.400 -88.894 -10.458 1.00 40.31 H new ATOM 0 HB2 CYS A 37 11.382 -90.256 -8.635 1.00 1.21 H new ATOM 0 HB3 CYS A 37 11.089 -89.689 -10.267 1.00 1.21 H new ATOM 0 HG CYS A 37 11.309 -92.502 -10.340 1.00 21.43 H new ATOM 524 N TYR A 38 12.204 -86.831 -9.687 1.00 44.52 N ATOM 525 CA TYR A 38 11.732 -85.526 -9.236 1.00 13.14 C ATOM 526 C TYR A 38 10.282 -85.287 -9.658 1.00 33.50 C ATOM 527 O TYR A 38 9.873 -85.659 -10.762 1.00 34.40 O ATOM 528 CB TYR A 38 12.621 -84.410 -9.809 1.00 2.52 C ATOM 529 CG TYR A 38 13.929 -84.200 -9.067 1.00 51.01 C ATOM 530 CD1 TYR A 38 14.734 -85.272 -8.703 1.00 5.21 C ATOM 531 CD2 TYR A 38 14.353 -82.922 -8.728 1.00 74.21 C ATOM 532 CE1 TYR A 38 15.918 -85.072 -8.024 1.00 42.41 C ATOM 533 CE2 TYR A 38 15.537 -82.716 -8.049 1.00 41.03 C ATOM 534 CZ TYR A 38 16.316 -83.796 -7.701 1.00 0.42 C ATOM 535 OH TYR A 38 17.496 -83.601 -7.026 1.00 72.24 O ATOM 0 H TYR A 38 12.295 -86.912 -10.700 1.00 44.52 H new ATOM 0 HA TYR A 38 11.785 -85.512 -8.147 1.00 13.14 H new ATOM 0 HB2 TYR A 38 12.843 -84.639 -10.851 1.00 2.52 H new ATOM 0 HB3 TYR A 38 12.060 -83.476 -9.800 1.00 2.52 H new ATOM 0 HD1 TYR A 38 14.428 -86.277 -8.955 1.00 5.21 H new ATOM 0 HD2 TYR A 38 13.744 -82.073 -9.001 1.00 74.21 H new ATOM 0 HE1 TYR A 38 16.532 -85.916 -7.746 1.00 42.41 H new ATOM 0 HE2 TYR A 38 15.850 -81.715 -7.793 1.00 41.03 H new ATOM 0 HH TYR A 38 18.029 -82.920 -7.488 1.00 72.24 H new ATOM 545 N ARG A 39 9.520 -84.667 -8.765 1.00 41.31 N ATOM 546 CA ARG A 39 8.162 -84.214 -9.060 1.00 13.40 C ATOM 547 C ARG A 39 7.876 -82.940 -8.265 1.00 14.02 C ATOM 548 O ARG A 39 7.758 -82.989 -7.046 1.00 25.40 O ATOM 549 CB ARG A 39 7.123 -85.285 -8.685 1.00 74.33 C ATOM 550 CG ARG A 39 5.683 -84.855 -8.962 1.00 12.21 C ATOM 551 CD ARG A 39 4.669 -85.725 -8.227 1.00 54.31 C ATOM 552 NE ARG A 39 4.696 -85.481 -6.781 1.00 25.32 N ATOM 553 CZ ARG A 39 3.610 -85.377 -6.007 1.00 14.22 C ATOM 554 NH1 ARG A 39 2.395 -85.496 -6.531 1.00 32.13 N ATOM 555 NH2 ARG A 39 3.748 -85.138 -4.709 1.00 64.21 N ATOM 0 H ARG A 39 9.825 -84.463 -7.813 1.00 41.31 H new ATOM 0 HA ARG A 39 8.088 -84.023 -10.131 1.00 13.40 H new ATOM 0 HB2 ARG A 39 7.336 -86.198 -9.242 1.00 74.33 H new ATOM 0 HB3 ARG A 39 7.226 -85.526 -7.627 1.00 74.33 H new ATOM 0 HG2 ARG A 39 5.552 -83.815 -8.662 1.00 12.21 H new ATOM 0 HG3 ARG A 39 5.491 -84.904 -10.034 1.00 12.21 H new ATOM 0 HD2 ARG A 39 3.669 -85.524 -8.612 1.00 54.31 H new ATOM 0 HD3 ARG A 39 4.881 -86.776 -8.423 1.00 54.31 H new ATOM 0 HE ARG A 39 5.608 -85.384 -6.334 1.00 25.32 H new ATOM 0 HH11 ARG A 39 2.285 -85.668 -7.530 1.00 32.13 H new ATOM 0 HH12 ARG A 39 1.572 -85.415 -5.934 1.00 32.13 H new ATOM 0 HH21 ARG A 39 4.679 -85.034 -4.306 1.00 64.21 H new ATOM 0 HH22 ARG A 39 2.923 -85.058 -4.115 1.00 64.21 H new ATOM 569 N VAL A 40 7.762 -81.808 -8.945 1.00 72.34 N ATOM 570 CA VAL A 40 7.520 -80.533 -8.270 1.00 72.44 C ATOM 571 C VAL A 40 6.260 -79.861 -8.816 1.00 70.43 C ATOM 572 O VAL A 40 5.910 -80.034 -9.985 1.00 61.43 O ATOM 573 CB VAL A 40 8.729 -79.572 -8.422 1.00 33.24 C ATOM 574 CG1 VAL A 40 8.933 -79.175 -9.880 1.00 32.30 C ATOM 575 CG2 VAL A 40 8.553 -78.335 -7.543 1.00 22.25 C ATOM 0 H VAL A 40 7.832 -81.742 -9.960 1.00 72.34 H new ATOM 0 HA VAL A 40 7.381 -80.749 -7.211 1.00 72.44 H new ATOM 0 HB VAL A 40 9.622 -80.101 -8.090 1.00 33.24 H new ATOM 0 HG11 VAL A 40 9.786 -78.501 -9.958 1.00 32.30 H new ATOM 0 HG12 VAL A 40 9.119 -80.067 -10.477 1.00 32.30 H new ATOM 0 HG13 VAL A 40 8.039 -78.672 -10.249 1.00 32.30 H new ATOM 0 HG21 VAL A 40 9.412 -77.676 -7.666 1.00 22.25 H new ATOM 0 HG22 VAL A 40 7.646 -77.807 -7.836 1.00 22.25 H new ATOM 0 HG23 VAL A 40 8.475 -78.639 -6.499 1.00 22.25 H new ATOM 585 N THR A 41 5.579 -79.107 -7.964 1.00 2.24 N ATOM 586 CA THR A 41 4.370 -78.391 -8.355 1.00 62.42 C ATOM 587 C THR A 41 4.645 -76.888 -8.474 1.00 74.20 C ATOM 588 O THR A 41 5.314 -76.306 -7.616 1.00 2.33 O ATOM 589 CB THR A 41 3.240 -78.643 -7.329 1.00 55.34 C ATOM 590 OG1 THR A 41 3.760 -78.509 -5.997 1.00 61.12 O ATOM 591 CG2 THR A 41 2.636 -80.037 -7.505 1.00 64.10 C ATOM 0 H THR A 41 5.846 -78.974 -6.988 1.00 2.24 H new ATOM 0 HA THR A 41 4.053 -78.764 -9.329 1.00 62.42 H new ATOM 0 HB THR A 41 2.455 -77.906 -7.497 1.00 55.34 H new ATOM 0 HG1 THR A 41 3.019 -78.508 -5.355 1.00 61.12 H new ATOM 0 HG21 THR A 41 1.845 -80.186 -6.771 1.00 64.10 H new ATOM 0 HG22 THR A 41 2.222 -80.130 -8.509 1.00 64.10 H new ATOM 0 HG23 THR A 41 3.411 -80.790 -7.361 1.00 64.10 H new ATOM 599 N GLY A 42 4.146 -76.270 -9.545 1.00 41.40 N ATOM 600 CA GLY A 42 4.334 -74.842 -9.744 1.00 24.42 C ATOM 601 C GLY A 42 3.336 -74.018 -8.950 1.00 40.24 C ATOM 602 O GLY A 42 2.131 -74.087 -9.199 1.00 32.35 O ATOM 0 H GLY A 42 3.613 -76.736 -10.280 1.00 41.40 H new ATOM 0 HA2 GLY A 42 5.347 -74.566 -9.450 1.00 24.42 H new ATOM 0 HA3 GLY A 42 4.235 -74.608 -10.804 1.00 24.42 H new ATOM 606 N LYS A 43 3.832 -73.246 -7.983 1.00 4.30 N ATOM 607 CA LYS A 43 2.969 -72.415 -7.147 1.00 54.14 C ATOM 608 C LYS A 43 2.530 -71.177 -7.918 1.00 34.03 C ATOM 609 O LYS A 43 1.369 -70.764 -7.854 1.00 15.12 O ATOM 610 CB LYS A 43 3.689 -71.991 -5.857 1.00 24.05 C ATOM 611 CG LYS A 43 2.736 -71.545 -4.749 1.00 42.10 C ATOM 612 CD LYS A 43 3.455 -71.290 -3.427 1.00 4.43 C ATOM 613 CE LYS A 43 4.434 -70.124 -3.514 1.00 3.20 C ATOM 614 NZ LYS A 43 5.073 -69.836 -2.202 1.00 10.25 N ATOM 0 H LYS A 43 4.825 -73.180 -7.760 1.00 4.30 H new ATOM 0 HA LYS A 43 2.094 -73.005 -6.876 1.00 54.14 H new ATOM 0 HB2 LYS A 43 4.291 -72.825 -5.495 1.00 24.05 H new ATOM 0 HB3 LYS A 43 4.377 -71.176 -6.084 1.00 24.05 H new ATOM 0 HG2 LYS A 43 2.222 -70.636 -5.061 1.00 42.10 H new ATOM 0 HG3 LYS A 43 1.972 -72.309 -4.602 1.00 42.10 H new ATOM 0 HD2 LYS A 43 2.719 -71.086 -2.650 1.00 4.43 H new ATOM 0 HD3 LYS A 43 3.992 -72.190 -3.129 1.00 4.43 H new ATOM 0 HE2 LYS A 43 5.204 -70.351 -4.251 1.00 3.20 H new ATOM 0 HE3 LYS A 43 3.910 -69.235 -3.865 1.00 3.20 H new ATOM 0 HZ1 LYS A 43 5.731 -69.037 -2.304 1.00 10.25 H new ATOM 0 HZ2 LYS A 43 4.340 -69.594 -1.505 1.00 10.25 H new ATOM 0 HZ3 LYS A 43 5.595 -70.675 -1.878 1.00 10.25 H new ATOM 628 N VAL A 44 3.472 -70.597 -8.653 1.00 15.21 N ATOM 629 CA VAL A 44 3.207 -69.408 -9.457 1.00 11.51 C ATOM 630 C VAL A 44 3.161 -69.781 -10.934 1.00 43.13 C ATOM 631 O VAL A 44 4.033 -70.506 -11.420 1.00 73.31 O ATOM 632 CB VAL A 44 4.286 -68.317 -9.232 1.00 65.30 C ATOM 633 CG1 VAL A 44 3.986 -67.069 -10.062 1.00 4.45 C ATOM 634 CG2 VAL A 44 4.393 -67.964 -7.751 1.00 65.34 C ATOM 0 H VAL A 44 4.433 -70.933 -8.709 1.00 15.21 H new ATOM 0 HA VAL A 44 2.244 -69.003 -9.146 1.00 11.51 H new ATOM 0 HB VAL A 44 5.244 -68.718 -9.561 1.00 65.30 H new ATOM 0 HG11 VAL A 44 4.758 -66.320 -9.885 1.00 4.45 H new ATOM 0 HG12 VAL A 44 3.970 -67.331 -11.120 1.00 4.45 H new ATOM 0 HG13 VAL A 44 3.016 -66.665 -9.774 1.00 4.45 H new ATOM 0 HG21 VAL A 44 5.155 -67.197 -7.614 1.00 65.34 H new ATOM 0 HG22 VAL A 44 3.433 -67.589 -7.396 1.00 65.34 H new ATOM 0 HG23 VAL A 44 4.667 -68.853 -7.184 1.00 65.34 H new ATOM 644 N GLN A 45 2.137 -69.309 -11.636 1.00 50.12 N ATOM 645 CA GLN A 45 2.018 -69.547 -13.071 1.00 32.13 C ATOM 646 C GLN A 45 3.108 -68.787 -13.826 1.00 53.04 C ATOM 647 O GLN A 45 2.932 -67.627 -14.206 1.00 31.24 O ATOM 648 CB GLN A 45 0.624 -69.144 -13.578 1.00 23.21 C ATOM 649 CG GLN A 45 -0.506 -69.998 -13.008 1.00 74.44 C ATOM 650 CD GLN A 45 -1.877 -69.559 -13.496 1.00 75.11 C ATOM 651 OE1 GLN A 45 -2.108 -68.379 -13.759 1.00 53.52 O ATOM 652 NE2 GLN A 45 -2.797 -70.503 -13.618 1.00 75.34 N ATOM 0 H GLN A 45 1.377 -68.759 -11.235 1.00 50.12 H new ATOM 0 HA GLN A 45 2.148 -70.613 -13.255 1.00 32.13 H new ATOM 0 HB2 GLN A 45 0.442 -68.100 -13.324 1.00 23.21 H new ATOM 0 HB3 GLN A 45 0.608 -69.215 -14.666 1.00 23.21 H new ATOM 0 HG2 GLN A 45 -0.343 -71.040 -13.284 1.00 74.44 H new ATOM 0 HG3 GLN A 45 -0.479 -69.949 -11.919 1.00 74.44 H new ATOM 0 HE21 GLN A 45 -2.568 -71.471 -13.390 1.00 75.34 H new ATOM 0 HE22 GLN A 45 -3.735 -70.263 -13.940 1.00 75.34 H new ATOM 661 N GLY A 46 4.251 -69.444 -13.992 1.00 33.40 N ATOM 662 CA GLY A 46 5.368 -68.859 -14.706 1.00 5.31 C ATOM 663 C GLY A 46 6.257 -69.923 -15.313 1.00 42.35 C ATOM 664 O GLY A 46 6.347 -71.034 -14.784 1.00 52.52 O ATOM 0 H GLY A 46 4.423 -70.385 -13.638 1.00 33.40 H new ATOM 0 HA2 GLY A 46 4.995 -68.203 -15.493 1.00 5.31 H new ATOM 0 HA3 GLY A 46 5.952 -68.240 -14.025 1.00 5.31 H new ATOM 668 N VAL A 47 6.917 -69.589 -16.414 1.00 50.43 N ATOM 669 CA VAL A 47 7.752 -70.546 -17.130 1.00 62.01 C ATOM 670 C VAL A 47 8.915 -71.033 -16.263 1.00 63.33 C ATOM 671 O VAL A 47 9.739 -70.238 -15.802 1.00 24.14 O ATOM 672 CB VAL A 47 8.313 -69.945 -18.445 1.00 61.21 C ATOM 673 CG1 VAL A 47 9.220 -70.947 -19.166 1.00 73.20 C ATOM 674 CG2 VAL A 47 7.174 -69.492 -19.359 1.00 13.12 C ATOM 0 H VAL A 47 6.890 -68.659 -16.832 1.00 50.43 H new ATOM 0 HA VAL A 47 7.111 -71.393 -17.375 1.00 62.01 H new ATOM 0 HB VAL A 47 8.915 -69.073 -18.187 1.00 61.21 H new ATOM 0 HG11 VAL A 47 9.599 -70.499 -20.085 1.00 73.20 H new ATOM 0 HG12 VAL A 47 10.056 -71.212 -18.519 1.00 73.20 H new ATOM 0 HG13 VAL A 47 8.651 -71.844 -19.408 1.00 73.20 H new ATOM 0 HG21 VAL A 47 7.588 -69.073 -20.276 1.00 13.12 H new ATOM 0 HG22 VAL A 47 6.542 -70.346 -19.603 1.00 13.12 H new ATOM 0 HG23 VAL A 47 6.579 -68.734 -18.850 1.00 13.12 H new ATOM 684 N PHE A 48 8.958 -72.340 -16.025 1.00 44.21 N ATOM 685 CA PHE A 48 10.098 -72.967 -15.372 1.00 43.23 C ATOM 686 C PHE A 48 11.284 -72.899 -16.333 1.00 63.04 C ATOM 687 O PHE A 48 11.338 -73.643 -17.314 1.00 45.54 O ATOM 688 CB PHE A 48 9.763 -74.425 -15.003 1.00 61.12 C ATOM 689 CG PHE A 48 10.754 -75.084 -14.070 1.00 53.24 C ATOM 690 CD1 PHE A 48 10.642 -74.924 -12.695 1.00 42.11 C ATOM 691 CD2 PHE A 48 11.787 -75.871 -14.562 1.00 54.45 C ATOM 692 CE1 PHE A 48 11.536 -75.533 -11.834 1.00 23.41 C ATOM 693 CE2 PHE A 48 12.683 -76.483 -13.705 1.00 23.53 C ATOM 694 CZ PHE A 48 12.559 -76.313 -12.339 1.00 52.33 C ATOM 0 H PHE A 48 8.211 -72.987 -16.277 1.00 44.21 H new ATOM 0 HA PHE A 48 10.346 -72.447 -14.447 1.00 43.23 H new ATOM 0 HB2 PHE A 48 8.776 -74.451 -14.540 1.00 61.12 H new ATOM 0 HB3 PHE A 48 9.701 -75.012 -15.919 1.00 61.12 H new ATOM 0 HD1 PHE A 48 9.846 -74.315 -12.293 1.00 42.11 H new ATOM 0 HD2 PHE A 48 11.892 -76.007 -15.628 1.00 54.45 H new ATOM 0 HE1 PHE A 48 11.435 -75.399 -10.767 1.00 23.41 H new ATOM 0 HE2 PHE A 48 13.480 -77.094 -14.103 1.00 23.53 H new ATOM 0 HZ PHE A 48 13.259 -76.788 -11.668 1.00 52.33 H new ATOM 704 N PHE A 49 12.198 -71.966 -16.082 1.00 15.34 N ATOM 705 CA PHE A 49 13.292 -71.695 -17.009 1.00 4.40 C ATOM 706 C PHE A 49 14.174 -72.918 -17.249 1.00 62.32 C ATOM 707 O PHE A 49 15.152 -73.149 -16.530 1.00 1.00 O ATOM 708 CB PHE A 49 14.155 -70.526 -16.531 1.00 33.40 C ATOM 709 CG PHE A 49 13.542 -69.168 -16.763 1.00 61.25 C ATOM 710 CD1 PHE A 49 13.509 -68.624 -18.039 1.00 61.52 C ATOM 711 CD2 PHE A 49 13.011 -68.433 -15.713 1.00 2.54 C ATOM 712 CE1 PHE A 49 12.956 -67.377 -18.263 1.00 52.45 C ATOM 713 CE2 PHE A 49 12.459 -67.186 -15.933 1.00 70.11 C ATOM 714 CZ PHE A 49 12.432 -66.657 -17.208 1.00 63.23 C ATOM 0 H PHE A 49 12.203 -71.385 -15.244 1.00 15.34 H new ATOM 0 HA PHE A 49 12.822 -71.429 -17.956 1.00 4.40 H new ATOM 0 HB2 PHE A 49 14.351 -70.646 -15.466 1.00 33.40 H new ATOM 0 HB3 PHE A 49 15.118 -70.569 -17.039 1.00 33.40 H new ATOM 0 HD1 PHE A 49 13.920 -69.182 -18.867 1.00 61.52 H new ATOM 0 HD2 PHE A 49 13.029 -68.840 -14.713 1.00 2.54 H new ATOM 0 HE1 PHE A 49 12.934 -66.967 -19.262 1.00 52.45 H new ATOM 0 HE2 PHE A 49 12.048 -66.624 -15.107 1.00 70.11 H new ATOM 0 HZ PHE A 49 12.002 -65.681 -17.380 1.00 63.23 H new ATOM 724 N ARG A 50 13.819 -73.678 -18.280 1.00 20.24 N ATOM 725 CA ARG A 50 14.622 -74.806 -18.739 1.00 11.11 C ATOM 726 C ARG A 50 16.055 -74.363 -19.031 1.00 62.02 C ATOM 727 O ARG A 50 16.980 -75.157 -18.949 1.00 13.04 O ATOM 728 CB ARG A 50 13.988 -75.433 -19.995 1.00 4.24 C ATOM 729 CG ARG A 50 13.732 -74.436 -21.125 1.00 63.42 C ATOM 730 CD ARG A 50 13.105 -75.099 -22.349 1.00 31.41 C ATOM 731 NE ARG A 50 14.036 -76.007 -23.028 1.00 52.04 N ATOM 732 CZ ARG A 50 13.665 -77.070 -23.751 1.00 22.45 C ATOM 733 NH1 ARG A 50 12.379 -77.379 -23.903 1.00 12.14 N ATOM 734 NH2 ARG A 50 14.591 -77.822 -24.328 1.00 70.43 N ATOM 0 H ARG A 50 12.967 -73.529 -18.821 1.00 20.24 H new ATOM 0 HA ARG A 50 14.650 -75.556 -17.948 1.00 11.11 H new ATOM 0 HB2 ARG A 50 14.641 -76.224 -20.363 1.00 4.24 H new ATOM 0 HB3 ARG A 50 13.044 -75.902 -19.717 1.00 4.24 H new ATOM 0 HG2 ARG A 50 13.075 -73.644 -20.766 1.00 63.42 H new ATOM 0 HG3 ARG A 50 14.672 -73.965 -21.411 1.00 63.42 H new ATOM 0 HD2 ARG A 50 12.217 -75.653 -22.044 1.00 31.41 H new ATOM 0 HD3 ARG A 50 12.776 -74.330 -23.048 1.00 31.41 H new ATOM 0 HE ARG A 50 15.034 -75.815 -22.943 1.00 52.04 H new ATOM 0 HH11 ARG A 50 11.661 -76.802 -23.465 1.00 12.14 H new ATOM 0 HH12 ARG A 50 12.112 -78.193 -24.457 1.00 12.14 H new ATOM 0 HH21 ARG A 50 15.578 -77.589 -24.219 1.00 70.43 H new ATOM 0 HH22 ARG A 50 14.317 -78.634 -24.881 1.00 70.43 H new ATOM 748 N LYS A 51 16.228 -73.083 -19.365 1.00 31.42 N ATOM 749 CA LYS A 51 17.548 -72.539 -19.686 1.00 51.24 C ATOM 750 C LYS A 51 18.453 -72.576 -18.449 1.00 43.40 C ATOM 751 O LYS A 51 19.608 -72.998 -18.526 1.00 4.25 O ATOM 752 CB LYS A 51 17.411 -71.104 -20.237 1.00 42.54 C ATOM 753 CG LYS A 51 18.623 -70.612 -21.040 1.00 63.21 C ATOM 754 CD LYS A 51 19.722 -70.003 -20.167 1.00 2.41 C ATOM 755 CE LYS A 51 19.287 -68.678 -19.546 1.00 61.10 C ATOM 756 NZ LYS A 51 20.420 -67.972 -18.889 1.00 63.52 N ATOM 0 H LYS A 51 15.469 -72.403 -19.420 1.00 31.42 H new ATOM 0 HA LYS A 51 18.010 -73.155 -20.458 1.00 51.24 H new ATOM 0 HB2 LYS A 51 16.526 -71.055 -20.872 1.00 42.54 H new ATOM 0 HB3 LYS A 51 17.243 -70.423 -19.403 1.00 42.54 H new ATOM 0 HG2 LYS A 51 19.038 -71.446 -21.605 1.00 63.21 H new ATOM 0 HG3 LYS A 51 18.292 -69.869 -21.766 1.00 63.21 H new ATOM 0 HD2 LYS A 51 19.988 -70.705 -19.376 1.00 2.41 H new ATOM 0 HD3 LYS A 51 20.618 -69.846 -20.768 1.00 2.41 H new ATOM 0 HE2 LYS A 51 18.860 -68.038 -20.319 1.00 61.10 H new ATOM 0 HE3 LYS A 51 18.501 -68.862 -18.814 1.00 61.10 H new ATOM 0 HZ1 LYS A 51 20.082 -67.077 -18.480 1.00 63.52 H new ATOM 0 HZ2 LYS A 51 20.812 -68.571 -18.134 1.00 63.52 H new ATOM 0 HZ3 LYS A 51 21.160 -67.773 -19.592 1.00 63.52 H new ATOM 770 N TYR A 52 17.916 -72.155 -17.304 1.00 33.33 N ATOM 771 CA TYR A 52 18.674 -72.192 -16.051 1.00 52.21 C ATOM 772 C TYR A 52 18.783 -73.622 -15.550 1.00 31.13 C ATOM 773 O TYR A 52 19.804 -74.009 -14.982 1.00 33.12 O ATOM 774 CB TYR A 52 18.037 -71.288 -14.984 1.00 51.11 C ATOM 775 CG TYR A 52 18.211 -69.801 -15.257 1.00 65.03 C ATOM 776 CD1 TYR A 52 19.374 -69.131 -14.882 1.00 73.20 C ATOM 777 CD2 TYR A 52 17.217 -69.067 -15.889 1.00 31.11 C ATOM 778 CE1 TYR A 52 19.531 -67.778 -15.130 1.00 34.30 C ATOM 779 CE2 TYR A 52 17.367 -67.718 -16.140 1.00 52.05 C ATOM 780 CZ TYR A 52 18.524 -67.078 -15.760 1.00 23.30 C ATOM 781 OH TYR A 52 18.672 -65.733 -16.009 1.00 53.21 O ATOM 0 H TYR A 52 16.968 -71.788 -17.217 1.00 33.33 H new ATOM 0 HA TYR A 52 19.676 -71.810 -16.248 1.00 52.21 H new ATOM 0 HB2 TYR A 52 16.973 -71.514 -14.918 1.00 51.11 H new ATOM 0 HB3 TYR A 52 18.474 -71.524 -14.013 1.00 51.11 H new ATOM 0 HD1 TYR A 52 20.166 -69.676 -14.390 1.00 73.20 H new ATOM 0 HD2 TYR A 52 16.306 -69.562 -16.191 1.00 31.11 H new ATOM 0 HE1 TYR A 52 20.438 -67.273 -14.831 1.00 34.30 H new ATOM 0 HE2 TYR A 52 16.579 -67.167 -16.633 1.00 52.05 H new ATOM 0 HH TYR A 52 17.871 -65.394 -16.460 1.00 53.21 H new ATOM 791 N THR A 53 17.736 -74.407 -15.779 1.00 44.10 N ATOM 792 CA THR A 53 17.764 -75.821 -15.443 1.00 3.41 C ATOM 793 C THR A 53 18.878 -76.525 -16.227 1.00 73.23 C ATOM 794 O THR A 53 19.589 -77.377 -15.692 1.00 72.33 O ATOM 795 CB THR A 53 16.402 -76.481 -15.745 1.00 45.12 C ATOM 796 OG1 THR A 53 15.354 -75.695 -15.155 1.00 53.20 O ATOM 797 CG2 THR A 53 16.338 -77.909 -15.206 1.00 71.23 C ATOM 0 H THR A 53 16.861 -74.087 -16.195 1.00 44.10 H new ATOM 0 HA THR A 53 17.963 -75.919 -14.376 1.00 3.41 H new ATOM 0 HB THR A 53 16.277 -76.526 -16.827 1.00 45.12 H new ATOM 0 HG1 THR A 53 15.191 -74.901 -15.705 1.00 53.20 H new ATOM 0 HG21 THR A 53 15.365 -78.342 -15.437 1.00 71.23 H new ATOM 0 HG22 THR A 53 17.121 -78.508 -15.670 1.00 71.23 H new ATOM 0 HG23 THR A 53 16.482 -77.897 -14.126 1.00 71.23 H new ATOM 805 N LYS A 54 19.042 -76.134 -17.490 1.00 52.34 N ATOM 806 CA LYS A 54 20.095 -76.684 -18.338 1.00 30.44 C ATOM 807 C LYS A 54 21.467 -76.179 -17.901 1.00 3.54 C ATOM 808 O LYS A 54 22.442 -76.924 -17.942 1.00 44.10 O ATOM 809 CB LYS A 54 19.849 -76.335 -19.814 1.00 40.44 C ATOM 810 CG LYS A 54 18.704 -77.118 -20.455 1.00 35.45 C ATOM 811 CD LYS A 54 18.500 -76.755 -21.930 1.00 30.33 C ATOM 812 CE LYS A 54 19.600 -77.307 -22.841 1.00 3.15 C ATOM 813 NZ LYS A 54 20.939 -76.724 -22.553 1.00 23.31 N ATOM 0 H LYS A 54 18.456 -75.436 -17.948 1.00 52.34 H new ATOM 0 HA LYS A 54 20.075 -77.768 -18.230 1.00 30.44 H new ATOM 0 HB2 LYS A 54 19.636 -75.269 -19.894 1.00 40.44 H new ATOM 0 HB3 LYS A 54 20.763 -76.521 -20.378 1.00 40.44 H new ATOM 0 HG2 LYS A 54 18.906 -78.186 -20.371 1.00 35.45 H new ATOM 0 HG3 LYS A 54 17.783 -76.924 -19.905 1.00 35.45 H new ATOM 0 HD2 LYS A 54 17.535 -77.138 -22.262 1.00 30.33 H new ATOM 0 HD3 LYS A 54 18.464 -75.670 -22.030 1.00 30.33 H new ATOM 0 HE2 LYS A 54 19.649 -78.390 -22.727 1.00 3.15 H new ATOM 0 HE3 LYS A 54 19.338 -77.107 -23.880 1.00 3.15 H new ATOM 0 HZ1 LYS A 54 21.485 -76.655 -23.436 1.00 23.31 H new ATOM 0 HZ2 LYS A 54 20.824 -75.775 -22.142 1.00 23.31 H new ATOM 0 HZ3 LYS A 54 21.445 -77.333 -21.879 1.00 23.31 H new ATOM 827 N LYS A 55 21.542 -74.912 -17.501 1.00 61.15 N ATOM 828 CA LYS A 55 22.786 -74.348 -16.976 1.00 23.30 C ATOM 829 C LYS A 55 23.254 -75.155 -15.770 1.00 15.04 C ATOM 830 O LYS A 55 24.394 -75.615 -15.713 1.00 2.24 O ATOM 831 CB LYS A 55 22.592 -72.880 -16.565 1.00 11.43 C ATOM 832 CG LYS A 55 23.787 -72.294 -15.809 1.00 64.44 C ATOM 833 CD LYS A 55 23.509 -70.885 -15.295 1.00 65.33 C ATOM 834 CE LYS A 55 24.636 -70.380 -14.402 1.00 14.41 C ATOM 835 NZ LYS A 55 24.388 -68.997 -13.914 1.00 63.50 N ATOM 0 H LYS A 55 20.760 -74.257 -17.529 1.00 61.15 H new ATOM 0 HA LYS A 55 23.539 -74.394 -17.763 1.00 23.30 H new ATOM 0 HB2 LYS A 55 22.409 -72.282 -17.458 1.00 11.43 H new ATOM 0 HB3 LYS A 55 21.703 -72.801 -15.940 1.00 11.43 H new ATOM 0 HG2 LYS A 55 24.037 -72.942 -14.969 1.00 64.44 H new ATOM 0 HG3 LYS A 55 24.656 -72.274 -16.466 1.00 64.44 H new ATOM 0 HD2 LYS A 55 23.382 -70.208 -16.140 1.00 65.33 H new ATOM 0 HD3 LYS A 55 22.572 -70.879 -14.738 1.00 65.33 H new ATOM 0 HE2 LYS A 55 24.750 -71.050 -13.549 1.00 14.41 H new ATOM 0 HE3 LYS A 55 25.575 -70.406 -14.955 1.00 14.41 H new ATOM 0 HZ1 LYS A 55 25.179 -68.695 -13.311 1.00 63.50 H new ATOM 0 HZ2 LYS A 55 24.305 -68.352 -14.726 1.00 63.50 H new ATOM 0 HZ3 LYS A 55 23.506 -68.976 -13.364 1.00 63.50 H new ATOM 849 N GLU A 56 22.346 -75.331 -14.819 1.00 61.35 N ATOM 850 CA GLU A 56 22.621 -76.065 -13.592 1.00 4.44 C ATOM 851 C GLU A 56 23.032 -77.504 -13.908 1.00 34.44 C ATOM 852 O GLU A 56 24.125 -77.956 -13.547 1.00 61.15 O ATOM 853 CB GLU A 56 21.369 -76.061 -12.707 1.00 12.34 C ATOM 854 CG GLU A 56 21.572 -76.678 -11.326 1.00 53.51 C ATOM 855 CD GLU A 56 22.415 -75.799 -10.411 1.00 25.14 C ATOM 856 OE1 GLU A 56 22.139 -74.582 -10.330 1.00 63.10 O ATOM 857 OE2 GLU A 56 23.362 -76.312 -9.781 1.00 24.04 O ATOM 0 H GLU A 56 21.395 -74.967 -14.878 1.00 61.35 H new ATOM 0 HA GLU A 56 23.443 -75.581 -13.065 1.00 4.44 H new ATOM 0 HB2 GLU A 56 21.028 -75.033 -12.586 1.00 12.34 H new ATOM 0 HB3 GLU A 56 20.574 -76.602 -13.220 1.00 12.34 H new ATOM 0 HG2 GLU A 56 20.601 -76.852 -10.863 1.00 53.51 H new ATOM 0 HG3 GLU A 56 22.052 -77.651 -11.433 1.00 53.51 H new ATOM 864 N ALA A 57 22.151 -78.204 -14.616 1.00 2.01 N ATOM 865 CA ALA A 57 22.355 -79.607 -14.948 1.00 74.43 C ATOM 866 C ALA A 57 23.648 -79.818 -15.728 1.00 71.13 C ATOM 867 O ALA A 57 24.417 -80.715 -15.420 1.00 12.10 O ATOM 868 CB ALA A 57 21.165 -80.143 -15.735 1.00 4.12 C ATOM 0 H ALA A 57 21.279 -77.815 -14.974 1.00 2.01 H new ATOM 0 HA ALA A 57 22.440 -80.160 -14.013 1.00 74.43 H new ATOM 0 HB1 ALA A 57 21.331 -81.193 -15.976 1.00 4.12 H new ATOM 0 HB2 ALA A 57 20.260 -80.048 -15.136 1.00 4.12 H new ATOM 0 HB3 ALA A 57 21.052 -79.572 -16.657 1.00 4.12 H new ATOM 874 N ASP A 58 23.894 -78.976 -16.723 1.00 44.45 N ATOM 875 CA ASP A 58 25.064 -79.134 -17.591 1.00 61.14 C ATOM 876 C ASP A 58 26.358 -78.828 -16.838 1.00 50.21 C ATOM 877 O ASP A 58 27.338 -79.568 -16.942 1.00 33.21 O ATOM 878 CB ASP A 58 24.946 -78.233 -18.824 1.00 0.41 C ATOM 879 CG ASP A 58 26.099 -78.413 -19.797 1.00 35.12 C ATOM 880 OD1 ASP A 58 26.131 -79.446 -20.501 1.00 32.14 O ATOM 881 OD2 ASP A 58 26.973 -77.522 -19.873 1.00 22.10 O ATOM 0 H ASP A 58 23.303 -78.177 -16.953 1.00 44.45 H new ATOM 0 HA ASP A 58 25.097 -80.174 -17.916 1.00 61.14 H new ATOM 0 HB2 ASP A 58 24.008 -78.447 -19.336 1.00 0.41 H new ATOM 0 HB3 ASP A 58 24.905 -77.192 -18.505 1.00 0.41 H new ATOM 886 N ALA A 59 26.346 -77.743 -16.065 1.00 41.11 N ATOM 887 CA ALA A 59 27.522 -77.319 -15.309 1.00 31.13 C ATOM 888 C ALA A 59 27.933 -78.381 -14.289 1.00 41.12 C ATOM 889 O ALA A 59 29.111 -78.731 -14.178 1.00 73.43 O ATOM 890 CB ALA A 59 27.257 -75.984 -14.617 1.00 33.22 C ATOM 0 H ALA A 59 25.532 -77.140 -15.946 1.00 41.11 H new ATOM 0 HA ALA A 59 28.347 -77.190 -16.010 1.00 31.13 H new ATOM 0 HB1 ALA A 59 28.143 -75.682 -14.058 1.00 33.22 H new ATOM 0 HB2 ALA A 59 27.024 -75.226 -15.365 1.00 33.22 H new ATOM 0 HB3 ALA A 59 26.415 -76.090 -13.933 1.00 33.22 H new ATOM 896 N LEU A 60 26.951 -78.891 -13.549 1.00 54.24 N ATOM 897 CA LEU A 60 27.200 -79.928 -12.543 1.00 74.52 C ATOM 898 C LEU A 60 27.234 -81.322 -13.194 1.00 2.20 C ATOM 899 O LEU A 60 27.651 -82.300 -12.569 1.00 5.04 O ATOM 900 CB LEU A 60 26.129 -79.867 -11.439 1.00 10.34 C ATOM 901 CG LEU A 60 26.275 -78.736 -10.399 1.00 60.33 C ATOM 902 CD1 LEU A 60 27.521 -78.938 -9.538 1.00 41.11 C ATOM 903 CD2 LEU A 60 26.290 -77.363 -11.071 1.00 51.52 C ATOM 0 H LEU A 60 25.975 -78.605 -13.625 1.00 54.24 H new ATOM 0 HA LEU A 60 28.174 -79.744 -12.090 1.00 74.52 H new ATOM 0 HB2 LEU A 60 25.153 -79.769 -11.915 1.00 10.34 H new ATOM 0 HB3 LEU A 60 26.130 -80.820 -10.909 1.00 10.34 H new ATOM 0 HG LEU A 60 25.405 -78.775 -9.744 1.00 60.33 H new ATOM 0 HD11 LEU A 60 27.599 -78.127 -8.814 1.00 41.11 H new ATOM 0 HD12 LEU A 60 27.448 -79.889 -9.010 1.00 41.11 H new ATOM 0 HD13 LEU A 60 28.406 -78.943 -10.174 1.00 41.11 H new ATOM 0 HD21 LEU A 60 26.394 -76.588 -10.312 1.00 51.52 H new ATOM 0 HD22 LEU A 60 27.129 -77.307 -11.765 1.00 51.52 H new ATOM 0 HD23 LEU A 60 25.358 -77.215 -11.616 1.00 51.52 H new ATOM 915 N SER A 61 26.805 -81.391 -14.453 1.00 74.52 N ATOM 916 CA SER A 61 26.886 -82.608 -15.263 1.00 3.53 C ATOM 917 C SER A 61 25.951 -83.712 -14.744 1.00 64.03 C ATOM 918 O SER A 61 26.341 -84.878 -14.630 1.00 34.12 O ATOM 919 CB SER A 61 28.342 -83.099 -15.322 1.00 74.53 C ATOM 920 OG SER A 61 29.205 -82.063 -15.775 1.00 63.03 O ATOM 0 H SER A 61 26.389 -80.600 -14.944 1.00 74.52 H new ATOM 0 HA SER A 61 26.551 -82.364 -16.271 1.00 3.53 H new ATOM 0 HB2 SER A 61 28.657 -83.436 -14.335 1.00 74.53 H new ATOM 0 HB3 SER A 61 28.415 -83.957 -15.990 1.00 74.53 H new ATOM 0 HG SER A 61 28.671 -81.341 -16.167 1.00 63.03 H new ATOM 926 N LEU A 62 24.700 -83.331 -14.461 1.00 73.12 N ATOM 927 CA LEU A 62 23.651 -84.301 -14.142 1.00 32.44 C ATOM 928 C LEU A 62 23.059 -84.851 -15.435 1.00 13.42 C ATOM 929 O LEU A 62 22.844 -84.104 -16.392 1.00 54.02 O ATOM 930 CB LEU A 62 22.511 -83.679 -13.300 1.00 62.02 C ATOM 931 CG LEU A 62 22.884 -83.209 -11.879 1.00 31.13 C ATOM 932 CD1 LEU A 62 23.686 -84.280 -11.145 1.00 22.14 C ATOM 933 CD2 LEU A 62 23.627 -81.883 -11.927 1.00 20.31 C ATOM 0 H LEU A 62 24.392 -82.359 -14.447 1.00 73.12 H new ATOM 0 HA LEU A 62 24.111 -85.095 -13.553 1.00 32.44 H new ATOM 0 HB2 LEU A 62 22.109 -82.826 -13.847 1.00 62.02 H new ATOM 0 HB3 LEU A 62 21.709 -84.412 -13.217 1.00 62.02 H new ATOM 0 HG LEU A 62 21.964 -83.049 -11.317 1.00 31.13 H new ATOM 0 HD11 LEU A 62 23.937 -83.925 -10.145 1.00 22.14 H new ATOM 0 HD12 LEU A 62 23.092 -85.191 -11.068 1.00 22.14 H new ATOM 0 HD13 LEU A 62 24.602 -84.490 -11.696 1.00 22.14 H new ATOM 0 HD21 LEU A 62 23.880 -81.571 -10.914 1.00 20.31 H new ATOM 0 HD22 LEU A 62 24.541 -81.999 -12.510 1.00 20.31 H new ATOM 0 HD23 LEU A 62 22.993 -81.128 -12.392 1.00 20.31 H new ATOM 945 N VAL A 63 22.807 -86.151 -15.465 1.00 63.31 N ATOM 946 CA VAL A 63 22.107 -86.765 -16.583 1.00 53.30 C ATOM 947 C VAL A 63 20.737 -87.235 -16.113 1.00 24.01 C ATOM 948 O VAL A 63 20.514 -87.404 -14.917 1.00 52.40 O ATOM 949 CB VAL A 63 22.897 -87.948 -17.201 1.00 11.42 C ATOM 950 CG1 VAL A 63 24.254 -87.479 -17.721 1.00 23.31 C ATOM 951 CG2 VAL A 63 23.067 -89.086 -16.201 1.00 10.23 C ATOM 0 H VAL A 63 23.077 -86.802 -14.727 1.00 63.31 H new ATOM 0 HA VAL A 63 22.002 -86.015 -17.367 1.00 53.30 H new ATOM 0 HB VAL A 63 22.318 -88.329 -18.042 1.00 11.42 H new ATOM 0 HG11 VAL A 63 24.791 -88.325 -18.150 1.00 23.31 H new ATOM 0 HG12 VAL A 63 24.107 -86.717 -18.486 1.00 23.31 H new ATOM 0 HG13 VAL A 63 24.834 -87.060 -16.898 1.00 23.31 H new ATOM 0 HG21 VAL A 63 23.625 -89.899 -16.666 1.00 10.23 H new ATOM 0 HG22 VAL A 63 23.611 -88.725 -15.328 1.00 10.23 H new ATOM 0 HG23 VAL A 63 22.087 -89.449 -15.893 1.00 10.23 H new ATOM 961 N GLY A 64 19.819 -87.414 -17.044 1.00 15.23 N ATOM 962 CA GLY A 64 18.458 -87.778 -16.696 1.00 55.25 C ATOM 963 C GLY A 64 17.473 -87.150 -17.652 1.00 30.41 C ATOM 964 O GLY A 64 17.751 -87.062 -18.851 1.00 63.55 O ATOM 0 H GLY A 64 19.990 -87.314 -18.045 1.00 15.23 H new ATOM 0 HA2 GLY A 64 18.350 -88.862 -16.717 1.00 55.25 H new ATOM 0 HA3 GLY A 64 18.240 -87.455 -15.678 1.00 55.25 H new ATOM 968 N TYR A 65 16.328 -86.699 -17.141 1.00 73.32 N ATOM 969 CA TYR A 65 15.320 -86.071 -17.994 1.00 13.32 C ATOM 970 C TYR A 65 14.252 -85.355 -17.168 1.00 31.43 C ATOM 971 O TYR A 65 13.933 -85.773 -16.061 1.00 30.44 O ATOM 972 CB TYR A 65 14.707 -87.118 -18.955 1.00 12.34 C ATOM 973 CG TYR A 65 13.204 -87.320 -18.849 1.00 12.32 C ATOM 974 CD1 TYR A 65 12.663 -88.228 -17.941 1.00 2.54 C ATOM 975 CD2 TYR A 65 12.328 -86.619 -19.672 1.00 43.24 C ATOM 976 CE1 TYR A 65 11.299 -88.428 -17.856 1.00 14.21 C ATOM 977 CE2 TYR A 65 10.963 -86.811 -19.591 1.00 74.34 C ATOM 978 CZ TYR A 65 10.453 -87.718 -18.684 1.00 4.14 C ATOM 979 OH TYR A 65 9.094 -87.919 -18.605 1.00 22.34 O ATOM 0 H TYR A 65 16.077 -86.755 -16.154 1.00 73.32 H new ATOM 0 HA TYR A 65 15.807 -85.305 -18.598 1.00 13.32 H new ATOM 0 HB2 TYR A 65 14.943 -86.825 -19.978 1.00 12.34 H new ATOM 0 HB3 TYR A 65 15.196 -88.076 -18.777 1.00 12.34 H new ATOM 0 HD1 TYR A 65 13.322 -88.785 -17.292 1.00 2.54 H new ATOM 0 HD2 TYR A 65 12.723 -85.912 -20.387 1.00 43.24 H new ATOM 0 HE1 TYR A 65 10.897 -89.136 -17.146 1.00 14.21 H new ATOM 0 HE2 TYR A 65 10.298 -86.254 -20.234 1.00 74.34 H new ATOM 0 HH TYR A 65 8.854 -88.175 -17.690 1.00 22.34 H new ATOM 989 N VAL A 66 13.726 -84.258 -17.718 1.00 23.54 N ATOM 990 CA VAL A 66 12.664 -83.476 -17.079 1.00 72.34 C ATOM 991 C VAL A 66 11.640 -83.048 -18.128 1.00 10.41 C ATOM 992 O VAL A 66 12.008 -82.835 -19.291 1.00 63.31 O ATOM 993 CB VAL A 66 13.242 -82.225 -16.342 1.00 1.11 C ATOM 994 CG1 VAL A 66 12.201 -81.118 -16.187 1.00 51.44 C ATOM 995 CG2 VAL A 66 13.793 -82.620 -14.972 1.00 12.42 C ATOM 0 H VAL A 66 14.024 -83.886 -18.620 1.00 23.54 H new ATOM 0 HA VAL A 66 12.178 -84.103 -16.332 1.00 72.34 H new ATOM 0 HB VAL A 66 14.051 -81.834 -16.958 1.00 1.11 H new ATOM 0 HG11 VAL A 66 12.647 -80.269 -15.669 1.00 51.44 H new ATOM 0 HG12 VAL A 66 11.856 -80.802 -17.172 1.00 51.44 H new ATOM 0 HG13 VAL A 66 11.356 -81.492 -15.609 1.00 51.44 H new ATOM 0 HG21 VAL A 66 14.192 -81.737 -14.472 1.00 12.42 H new ATOM 0 HG22 VAL A 66 12.993 -83.049 -14.368 1.00 12.42 H new ATOM 0 HG23 VAL A 66 14.587 -83.356 -15.098 1.00 12.42 H new ATOM 1005 N THR A 67 10.372 -82.930 -17.704 1.00 33.35 N ATOM 1006 CA THR A 67 9.265 -82.518 -18.564 1.00 62.00 C ATOM 1007 C THR A 67 8.126 -81.948 -17.705 1.00 43.22 C ATOM 1008 O THR A 67 8.080 -82.178 -16.492 1.00 43.20 O ATOM 1009 CB THR A 67 8.729 -83.691 -19.422 1.00 20.20 C ATOM 1010 OG1 THR A 67 7.718 -83.221 -20.322 1.00 12.03 O ATOM 1011 CG2 THR A 67 8.146 -84.798 -18.552 1.00 52.41 C ATOM 0 H THR A 67 10.089 -83.121 -16.743 1.00 33.35 H new ATOM 0 HA THR A 67 9.642 -81.754 -19.243 1.00 62.00 H new ATOM 0 HB THR A 67 9.570 -84.097 -19.985 1.00 20.20 H new ATOM 0 HG1 THR A 67 7.386 -83.969 -20.861 1.00 12.03 H new ATOM 0 HG21 THR A 67 7.779 -85.605 -19.187 1.00 52.41 H new ATOM 0 HG22 THR A 67 8.919 -85.183 -17.886 1.00 52.41 H new ATOM 0 HG23 THR A 67 7.322 -84.400 -17.960 1.00 52.41 H new ATOM 1019 N ASN A 68 7.217 -81.197 -18.330 1.00 24.14 N ATOM 1020 CA ASN A 68 6.096 -80.578 -17.616 1.00 73.40 C ATOM 1021 C ASN A 68 4.783 -81.287 -17.942 1.00 73.12 C ATOM 1022 O ASN A 68 4.456 -81.514 -19.106 1.00 10.52 O ATOM 1023 CB ASN A 68 5.983 -79.088 -17.978 1.00 71.15 C ATOM 1024 CG ASN A 68 4.821 -78.382 -17.286 1.00 11.14 C ATOM 1025 OD1 ASN A 68 4.216 -77.469 -17.846 1.00 14.14 O ATOM 1026 ND2 ASN A 68 4.512 -78.781 -16.059 1.00 71.23 N ATOM 0 H ASN A 68 7.235 -81.002 -19.331 1.00 24.14 H new ATOM 0 HA ASN A 68 6.288 -80.672 -16.547 1.00 73.40 H new ATOM 0 HB2 ASN A 68 6.913 -78.586 -17.713 1.00 71.15 H new ATOM 0 HB3 ASN A 68 5.866 -78.992 -19.057 1.00 71.15 H new ATOM 0 HD21 ASN A 68 3.753 -78.327 -15.551 1.00 71.23 H new ATOM 0 HD22 ASN A 68 5.034 -79.541 -15.623 1.00 71.23 H new ATOM 1033 N ASN A 69 4.035 -81.633 -16.901 1.00 74.00 N ATOM 1034 CA ASN A 69 2.736 -82.279 -17.056 1.00 52.24 C ATOM 1035 C ASN A 69 1.633 -81.221 -17.132 1.00 5.25 C ATOM 1036 O ASN A 69 1.793 -80.115 -16.607 1.00 52.52 O ATOM 1037 CB ASN A 69 2.460 -83.233 -15.882 1.00 72.13 C ATOM 1038 CG ASN A 69 3.590 -84.222 -15.614 1.00 72.22 C ATOM 1039 OD1 ASN A 69 3.787 -84.655 -14.477 1.00 2.34 O ATOM 1040 ND2 ASN A 69 4.340 -84.590 -16.645 1.00 31.15 N ATOM 0 H ASN A 69 4.309 -81.475 -15.931 1.00 74.00 H new ATOM 0 HA ASN A 69 2.747 -82.858 -17.980 1.00 52.24 H new ATOM 0 HB2 ASN A 69 2.283 -82.645 -14.982 1.00 72.13 H new ATOM 0 HB3 ASN A 69 1.544 -83.788 -16.085 1.00 72.13 H new ATOM 0 HD21 ASN A 69 5.106 -85.250 -16.509 1.00 31.15 H new ATOM 0 HD22 ASN A 69 4.151 -84.213 -17.574 1.00 31.15 H new ATOM 1047 N GLU A 70 0.508 -81.577 -17.757 1.00 63.52 N ATOM 1048 CA GLU A 70 -0.620 -80.656 -17.950 1.00 54.22 C ATOM 1049 C GLU A 70 -1.112 -80.074 -16.618 1.00 23.41 C ATOM 1050 O GLU A 70 -1.690 -78.986 -16.580 1.00 22.31 O ATOM 1051 CB GLU A 70 -1.764 -81.393 -18.661 1.00 35.24 C ATOM 1052 CG GLU A 70 -2.966 -80.516 -18.997 1.00 73.50 C ATOM 1053 CD GLU A 70 -4.074 -81.285 -19.697 1.00 44.50 C ATOM 1054 OE1 GLU A 70 -3.999 -81.453 -20.930 1.00 22.30 O ATOM 1055 OE2 GLU A 70 -5.023 -81.732 -19.018 1.00 32.11 O ATOM 0 H GLU A 70 0.351 -82.508 -18.143 1.00 63.52 H new ATOM 0 HA GLU A 70 -0.279 -79.823 -18.564 1.00 54.22 H new ATOM 0 HB2 GLU A 70 -1.380 -81.831 -19.582 1.00 35.24 H new ATOM 0 HB3 GLU A 70 -2.096 -82.218 -18.030 1.00 35.24 H new ATOM 0 HG2 GLU A 70 -3.358 -80.076 -18.080 1.00 73.50 H new ATOM 0 HG3 GLU A 70 -2.643 -79.692 -19.633 1.00 73.50 H new ATOM 1062 N ASP A 71 -0.861 -80.799 -15.529 1.00 53.44 N ATOM 1063 CA ASP A 71 -1.319 -80.390 -14.196 1.00 52.32 C ATOM 1064 C ASP A 71 -0.585 -79.141 -13.708 1.00 60.33 C ATOM 1065 O ASP A 71 -0.972 -78.538 -12.702 1.00 61.33 O ATOM 1066 CB ASP A 71 -1.100 -81.518 -13.179 1.00 72.43 C ATOM 1067 CG ASP A 71 -1.700 -82.844 -13.610 1.00 73.01 C ATOM 1068 OD1 ASP A 71 -2.939 -82.996 -13.555 1.00 44.11 O ATOM 1069 OD2 ASP A 71 -0.929 -83.747 -13.998 1.00 23.34 O ATOM 0 H ASP A 71 -0.341 -81.676 -15.541 1.00 53.44 H new ATOM 0 HA ASP A 71 -2.382 -80.166 -14.280 1.00 52.32 H new ATOM 0 HB2 ASP A 71 -0.030 -81.648 -13.016 1.00 72.43 H new ATOM 0 HB3 ASP A 71 -1.534 -81.225 -12.223 1.00 72.43 H new ATOM 1074 N GLY A 72 0.473 -78.759 -14.414 1.00 2.22 N ATOM 1075 CA GLY A 72 1.304 -77.651 -13.975 1.00 24.21 C ATOM 1076 C GLY A 72 2.395 -78.119 -13.036 1.00 64.40 C ATOM 1077 O GLY A 72 2.944 -77.339 -12.253 1.00 24.14 O ATOM 0 H GLY A 72 0.772 -79.198 -15.285 1.00 2.22 H new ATOM 0 HA2 GLY A 72 1.751 -77.164 -14.841 1.00 24.21 H new ATOM 0 HA3 GLY A 72 0.686 -76.906 -13.474 1.00 24.21 H new ATOM 1081 N SER A 73 2.698 -79.409 -13.110 1.00 74.30 N ATOM 1082 CA SER A 73 3.745 -80.017 -12.301 1.00 53.52 C ATOM 1083 C SER A 73 4.907 -80.449 -13.195 1.00 5.24 C ATOM 1084 O SER A 73 4.693 -80.954 -14.296 1.00 20.32 O ATOM 1085 CB SER A 73 3.169 -81.219 -11.537 1.00 23.04 C ATOM 1086 OG SER A 73 2.429 -82.065 -12.404 1.00 33.31 O ATOM 0 H SER A 73 2.224 -80.063 -13.733 1.00 74.30 H new ATOM 0 HA SER A 73 4.119 -79.291 -11.580 1.00 53.52 H new ATOM 0 HB2 SER A 73 3.979 -81.784 -11.076 1.00 23.04 H new ATOM 0 HB3 SER A 73 2.526 -80.867 -10.730 1.00 23.04 H new ATOM 0 HG SER A 73 2.074 -82.824 -11.896 1.00 33.31 H new ATOM 1092 N VAL A 74 6.130 -80.221 -12.737 1.00 2.14 N ATOM 1093 CA VAL A 74 7.323 -80.603 -13.488 1.00 23.14 C ATOM 1094 C VAL A 74 7.911 -81.884 -12.901 1.00 45.15 C ATOM 1095 O VAL A 74 8.249 -81.933 -11.718 1.00 50.12 O ATOM 1096 CB VAL A 74 8.387 -79.474 -13.466 1.00 61.55 C ATOM 1097 CG1 VAL A 74 9.619 -79.873 -14.271 1.00 25.24 C ATOM 1098 CG2 VAL A 74 7.801 -78.164 -13.995 1.00 44.21 C ATOM 0 H VAL A 74 6.325 -79.770 -11.843 1.00 2.14 H new ATOM 0 HA VAL A 74 7.034 -80.774 -14.525 1.00 23.14 H new ATOM 0 HB VAL A 74 8.691 -79.319 -12.431 1.00 61.55 H new ATOM 0 HG11 VAL A 74 10.351 -79.066 -14.241 1.00 25.24 H new ATOM 0 HG12 VAL A 74 10.056 -80.775 -13.844 1.00 25.24 H new ATOM 0 HG13 VAL A 74 9.332 -80.064 -15.305 1.00 25.24 H new ATOM 0 HG21 VAL A 74 8.565 -77.387 -13.970 1.00 44.21 H new ATOM 0 HG22 VAL A 74 7.461 -78.306 -15.021 1.00 44.21 H new ATOM 0 HG23 VAL A 74 6.959 -77.864 -13.372 1.00 44.21 H new ATOM 1108 N SER A 75 8.016 -82.920 -13.720 1.00 24.41 N ATOM 1109 CA SER A 75 8.494 -84.221 -13.264 1.00 33.53 C ATOM 1110 C SER A 75 9.693 -84.688 -14.095 1.00 25.55 C ATOM 1111 O SER A 75 9.969 -84.140 -15.166 1.00 44.43 O ATOM 1112 CB SER A 75 7.347 -85.242 -13.329 1.00 45.42 C ATOM 1113 OG SER A 75 6.637 -85.147 -14.557 1.00 50.11 O ATOM 0 H SER A 75 7.775 -82.886 -14.711 1.00 24.41 H new ATOM 0 HA SER A 75 8.829 -84.132 -12.231 1.00 33.53 H new ATOM 0 HB2 SER A 75 7.748 -86.249 -13.216 1.00 45.42 H new ATOM 0 HB3 SER A 75 6.662 -85.076 -12.497 1.00 45.42 H new ATOM 0 HG SER A 75 5.681 -85.029 -14.374 1.00 50.11 H new ATOM 1119 N GLY A 76 10.411 -85.685 -13.582 1.00 32.44 N ATOM 1120 CA GLY A 76 11.557 -86.234 -14.286 1.00 51.54 C ATOM 1121 C GLY A 76 12.432 -87.079 -13.383 1.00 43.42 C ATOM 1122 O GLY A 76 11.983 -87.531 -12.329 1.00 53.55 O ATOM 0 H GLY A 76 10.216 -86.125 -12.683 1.00 32.44 H new ATOM 0 HA2 GLY A 76 11.211 -86.839 -15.124 1.00 51.54 H new ATOM 0 HA3 GLY A 76 12.149 -85.420 -14.704 1.00 51.54 H new ATOM 1126 N VAL A 77 13.677 -87.304 -13.798 1.00 42.05 N ATOM 1127 CA VAL A 77 14.640 -88.084 -13.021 1.00 43.44 C ATOM 1128 C VAL A 77 16.030 -87.446 -13.114 1.00 74.14 C ATOM 1129 O VAL A 77 16.424 -86.961 -14.183 1.00 42.33 O ATOM 1130 CB VAL A 77 14.730 -89.556 -13.519 1.00 53.04 C ATOM 1131 CG1 VAL A 77 15.703 -90.362 -12.659 1.00 73.25 C ATOM 1132 CG2 VAL A 77 13.353 -90.223 -13.539 1.00 44.22 C ATOM 0 H VAL A 77 14.047 -86.952 -14.681 1.00 42.05 H new ATOM 0 HA VAL A 77 14.293 -88.088 -11.988 1.00 43.44 H new ATOM 0 HB VAL A 77 15.108 -89.535 -14.541 1.00 53.04 H new ATOM 0 HG11 VAL A 77 15.749 -91.387 -13.026 1.00 73.25 H new ATOM 0 HG12 VAL A 77 16.694 -89.912 -12.713 1.00 73.25 H new ATOM 0 HG13 VAL A 77 15.360 -90.362 -11.624 1.00 73.25 H new ATOM 0 HG21 VAL A 77 13.451 -91.250 -13.892 1.00 44.22 H new ATOM 0 HG22 VAL A 77 12.934 -90.223 -12.533 1.00 44.22 H new ATOM 0 HG23 VAL A 77 12.691 -89.672 -14.207 1.00 44.22 H new ATOM 1142 N VAL A 78 16.761 -87.441 -11.994 1.00 11.12 N ATOM 1143 CA VAL A 78 18.132 -86.934 -11.957 1.00 13.11 C ATOM 1144 C VAL A 78 19.101 -88.080 -11.662 1.00 3.40 C ATOM 1145 O VAL A 78 18.795 -88.966 -10.854 1.00 63.53 O ATOM 1146 CB VAL A 78 18.316 -85.830 -10.883 1.00 55.53 C ATOM 1147 CG1 VAL A 78 18.371 -86.428 -9.479 1.00 52.34 C ATOM 1148 CG2 VAL A 78 19.565 -84.999 -11.160 1.00 23.42 C ATOM 0 H VAL A 78 16.420 -87.786 -11.096 1.00 11.12 H new ATOM 0 HA VAL A 78 18.343 -86.498 -12.933 1.00 13.11 H new ATOM 0 HB VAL A 78 17.449 -85.172 -10.937 1.00 55.53 H new ATOM 0 HG11 VAL A 78 18.501 -85.630 -8.748 1.00 52.34 H new ATOM 0 HG12 VAL A 78 17.442 -86.961 -9.274 1.00 52.34 H new ATOM 0 HG13 VAL A 78 19.209 -87.121 -9.411 1.00 52.34 H new ATOM 0 HG21 VAL A 78 19.670 -84.233 -10.392 1.00 23.42 H new ATOM 0 HG22 VAL A 78 20.442 -85.646 -11.149 1.00 23.42 H new ATOM 0 HG23 VAL A 78 19.477 -84.524 -12.137 1.00 23.42 H new ATOM 1158 N GLN A 79 20.257 -88.062 -12.320 1.00 61.04 N ATOM 1159 CA GLN A 79 21.256 -89.117 -12.171 1.00 72.34 C ATOM 1160 C GLN A 79 22.661 -88.499 -12.190 1.00 51.25 C ATOM 1161 O GLN A 79 22.973 -87.688 -13.062 1.00 1.41 O ATOM 1162 CB GLN A 79 21.120 -90.137 -13.319 1.00 75.34 C ATOM 1163 CG GLN A 79 19.684 -90.329 -13.812 1.00 65.40 C ATOM 1164 CD GLN A 79 19.582 -91.173 -15.069 1.00 13.34 C ATOM 1165 OE1 GLN A 79 18.703 -90.959 -15.899 1.00 12.03 O ATOM 1166 NE2 GLN A 79 20.459 -92.154 -15.210 1.00 41.24 N ATOM 0 H GLN A 79 20.527 -87.321 -12.967 1.00 61.04 H new ATOM 0 HA GLN A 79 21.098 -89.629 -11.222 1.00 72.34 H new ATOM 0 HB2 GLN A 79 21.740 -89.813 -14.155 1.00 75.34 H new ATOM 0 HB3 GLN A 79 21.511 -91.098 -12.986 1.00 75.34 H new ATOM 0 HG2 GLN A 79 19.097 -90.796 -13.022 1.00 65.40 H new ATOM 0 HG3 GLN A 79 19.240 -89.352 -14.003 1.00 65.40 H new ATOM 0 HE21 GLN A 79 21.176 -92.303 -14.500 1.00 41.24 H new ATOM 0 HE22 GLN A 79 20.418 -92.761 -16.028 1.00 41.24 H new ATOM 1175 N GLY A 80 23.492 -88.872 -11.225 1.00 73.20 N ATOM 1176 CA GLY A 80 24.854 -88.369 -11.165 1.00 70.11 C ATOM 1177 C GLY A 80 25.461 -88.549 -9.788 1.00 45.11 C ATOM 1178 O GLY A 80 24.891 -89.251 -8.953 1.00 30.00 O ATOM 0 H GLY A 80 23.246 -89.519 -10.476 1.00 73.20 H new ATOM 0 HA2 GLY A 80 25.466 -88.888 -11.903 1.00 70.11 H new ATOM 0 HA3 GLY A 80 24.863 -87.312 -11.431 1.00 70.11 H new ATOM 1182 N PRO A 81 26.634 -87.948 -9.524 1.00 21.24 N ATOM 1183 CA PRO A 81 27.264 -87.996 -8.197 1.00 24.25 C ATOM 1184 C PRO A 81 26.399 -87.293 -7.147 1.00 43.11 C ATOM 1185 O PRO A 81 25.818 -86.240 -7.423 1.00 61.12 O ATOM 1186 CB PRO A 81 28.599 -87.257 -8.400 1.00 14.12 C ATOM 1187 CG PRO A 81 28.392 -86.417 -9.618 1.00 1.43 C ATOM 1188 CD PRO A 81 27.438 -87.182 -10.492 1.00 73.32 C ATOM 0 HA PRO A 81 27.396 -89.014 -7.831 1.00 24.25 H new ATOM 0 HB2 PRO A 81 28.846 -86.643 -7.534 1.00 14.12 H new ATOM 0 HB3 PRO A 81 29.422 -87.958 -8.539 1.00 14.12 H new ATOM 0 HG2 PRO A 81 27.983 -85.442 -9.354 1.00 1.43 H new ATOM 0 HG3 PRO A 81 29.336 -86.238 -10.134 1.00 1.43 H new ATOM 0 HD2 PRO A 81 26.818 -86.515 -11.092 1.00 73.32 H new ATOM 0 HD3 PRO A 81 27.965 -87.837 -11.186 1.00 73.32 H new ATOM 1196 N LYS A 82 26.341 -87.862 -5.942 1.00 34.24 N ATOM 1197 CA LYS A 82 25.438 -87.382 -4.889 1.00 65.22 C ATOM 1198 C LYS A 82 25.672 -85.902 -4.578 1.00 10.03 C ATOM 1199 O LYS A 82 24.758 -85.201 -4.146 1.00 13.55 O ATOM 1200 CB LYS A 82 25.584 -88.257 -3.624 1.00 54.13 C ATOM 1201 CG LYS A 82 27.012 -88.363 -3.071 1.00 14.43 C ATOM 1202 CD LYS A 82 27.352 -87.245 -2.085 1.00 71.14 C ATOM 1203 CE LYS A 82 26.544 -87.349 -0.795 1.00 51.01 C ATOM 1204 NZ LYS A 82 26.788 -88.638 -0.092 1.00 4.33 N ATOM 0 H LYS A 82 26.912 -88.661 -5.668 1.00 34.24 H new ATOM 0 HA LYS A 82 24.414 -87.470 -5.251 1.00 65.22 H new ATOM 0 HB2 LYS A 82 24.937 -87.854 -2.845 1.00 54.13 H new ATOM 0 HB3 LYS A 82 25.223 -89.260 -3.850 1.00 54.13 H new ATOM 0 HG2 LYS A 82 27.134 -89.327 -2.576 1.00 14.43 H new ATOM 0 HG3 LYS A 82 27.720 -88.338 -3.899 1.00 14.43 H new ATOM 0 HD2 LYS A 82 28.416 -87.282 -1.849 1.00 71.14 H new ATOM 0 HD3 LYS A 82 27.162 -86.279 -2.554 1.00 71.14 H new ATOM 0 HE2 LYS A 82 26.804 -86.521 -0.136 1.00 51.01 H new ATOM 0 HE3 LYS A 82 25.482 -87.254 -1.023 1.00 51.01 H new ATOM 0 HZ1 LYS A 82 26.434 -88.574 0.884 1.00 4.33 H new ATOM 0 HZ2 LYS A 82 26.292 -89.404 -0.590 1.00 4.33 H new ATOM 0 HZ3 LYS A 82 27.809 -88.838 -0.077 1.00 4.33 H new ATOM 1218 N GLU A 83 26.896 -85.441 -4.813 1.00 45.34 N ATOM 1219 CA GLU A 83 27.252 -84.036 -4.622 1.00 53.14 C ATOM 1220 C GLU A 83 26.473 -83.151 -5.598 1.00 41.52 C ATOM 1221 O GLU A 83 25.850 -82.150 -5.219 1.00 1.31 O ATOM 1222 CB GLU A 83 28.759 -83.856 -4.857 1.00 53.44 C ATOM 1223 CG GLU A 83 29.636 -84.819 -4.061 1.00 34.25 C ATOM 1224 CD GLU A 83 29.656 -84.543 -2.561 1.00 42.22 C ATOM 1225 OE1 GLU A 83 29.298 -83.423 -2.141 1.00 25.22 O ATOM 1226 OE2 GLU A 83 30.042 -85.453 -1.798 1.00 53.32 O ATOM 0 H GLU A 83 27.666 -86.025 -5.139 1.00 45.34 H new ATOM 0 HA GLU A 83 26.999 -83.742 -3.603 1.00 53.14 H new ATOM 0 HB2 GLU A 83 28.968 -83.986 -5.919 1.00 53.44 H new ATOM 0 HB3 GLU A 83 29.036 -82.833 -4.600 1.00 53.44 H new ATOM 0 HG2 GLU A 83 29.285 -85.837 -4.228 1.00 34.25 H new ATOM 0 HG3 GLU A 83 30.655 -84.767 -4.443 1.00 34.25 H new ATOM 1233 N GLN A 84 26.505 -83.546 -6.864 1.00 71.32 N ATOM 1234 CA GLN A 84 25.870 -82.785 -7.931 1.00 73.41 C ATOM 1235 C GLN A 84 24.353 -82.961 -7.888 1.00 4.41 C ATOM 1236 O GLN A 84 23.602 -82.058 -8.256 1.00 35.12 O ATOM 1237 CB GLN A 84 26.441 -83.214 -9.290 1.00 70.43 C ATOM 1238 CG GLN A 84 27.789 -82.575 -9.620 1.00 43.51 C ATOM 1239 CD GLN A 84 28.693 -82.429 -8.411 1.00 53.33 C ATOM 1240 OE1 GLN A 84 28.673 -81.411 -7.723 1.00 64.14 O ATOM 1241 NE2 GLN A 84 29.494 -83.439 -8.136 1.00 5.13 N ATOM 0 H GLN A 84 26.969 -84.398 -7.179 1.00 71.32 H new ATOM 0 HA GLN A 84 26.084 -81.726 -7.787 1.00 73.41 H new ATOM 0 HB2 GLN A 84 26.550 -84.298 -9.302 1.00 70.43 H new ATOM 0 HB3 GLN A 84 25.726 -82.957 -10.072 1.00 70.43 H new ATOM 0 HG2 GLN A 84 28.295 -83.179 -10.373 1.00 43.51 H new ATOM 0 HG3 GLN A 84 27.620 -81.592 -10.060 1.00 43.51 H new ATOM 0 HE21 GLN A 84 29.487 -84.271 -8.726 1.00 5.13 H new ATOM 0 HE22 GLN A 84 30.121 -83.389 -7.333 1.00 5.13 H new ATOM 1250 N VAL A 85 23.909 -84.130 -7.434 1.00 33.13 N ATOM 1251 CA VAL A 85 22.489 -84.369 -7.204 1.00 22.34 C ATOM 1252 C VAL A 85 21.999 -83.444 -6.094 1.00 73.43 C ATOM 1253 O VAL A 85 20.898 -82.901 -6.163 1.00 53.31 O ATOM 1254 CB VAL A 85 22.201 -85.846 -6.825 1.00 44.11 C ATOM 1255 CG1 VAL A 85 20.724 -86.051 -6.496 1.00 71.00 C ATOM 1256 CG2 VAL A 85 22.641 -86.782 -7.949 1.00 25.24 C ATOM 0 H VAL A 85 24.511 -84.924 -7.219 1.00 33.13 H new ATOM 0 HA VAL A 85 21.956 -84.162 -8.132 1.00 22.34 H new ATOM 0 HB VAL A 85 22.778 -86.085 -5.932 1.00 44.11 H new ATOM 0 HG11 VAL A 85 20.551 -87.095 -6.234 1.00 71.00 H new ATOM 0 HG12 VAL A 85 20.447 -85.415 -5.655 1.00 71.00 H new ATOM 0 HG13 VAL A 85 20.118 -85.790 -7.364 1.00 71.00 H new ATOM 0 HG21 VAL A 85 22.432 -87.814 -7.666 1.00 25.24 H new ATOM 0 HG22 VAL A 85 22.095 -86.538 -8.860 1.00 25.24 H new ATOM 0 HG23 VAL A 85 23.710 -86.664 -8.123 1.00 25.24 H new ATOM 1266 N ASP A 86 22.846 -83.260 -5.084 1.00 15.30 N ATOM 1267 CA ASP A 86 22.581 -82.308 -4.010 1.00 63.23 C ATOM 1268 C ASP A 86 22.435 -80.899 -4.583 1.00 64.31 C ATOM 1269 O ASP A 86 21.477 -80.180 -4.276 1.00 72.04 O ATOM 1270 CB ASP A 86 23.714 -82.351 -2.975 1.00 35.40 C ATOM 1271 CG ASP A 86 23.570 -81.294 -1.893 1.00 14.31 C ATOM 1272 OD1 ASP A 86 22.816 -81.525 -0.925 1.00 32.10 O ATOM 1273 OD2 ASP A 86 24.217 -80.227 -2.008 1.00 61.35 O ATOM 0 H ASP A 86 23.728 -83.763 -4.988 1.00 15.30 H new ATOM 0 HA ASP A 86 21.649 -82.582 -3.516 1.00 63.23 H new ATOM 0 HB2 ASP A 86 23.738 -83.337 -2.511 1.00 35.40 H new ATOM 0 HB3 ASP A 86 24.669 -82.215 -3.483 1.00 35.40 H new ATOM 1278 N ALA A 87 23.387 -80.518 -5.434 1.00 21.34 N ATOM 1279 CA ALA A 87 23.325 -79.235 -6.133 1.00 34.53 C ATOM 1280 C ALA A 87 21.974 -79.065 -6.832 1.00 20.20 C ATOM 1281 O ALA A 87 21.306 -78.031 -6.699 1.00 62.15 O ATOM 1282 CB ALA A 87 24.456 -79.143 -7.153 1.00 10.13 C ATOM 0 H ALA A 87 24.210 -81.079 -5.656 1.00 21.34 H new ATOM 0 HA ALA A 87 23.437 -78.436 -5.400 1.00 34.53 H new ATOM 0 HB1 ALA A 87 24.403 -78.185 -7.670 1.00 10.13 H new ATOM 0 HB2 ALA A 87 25.415 -79.227 -6.642 1.00 10.13 H new ATOM 0 HB3 ALA A 87 24.359 -79.951 -7.878 1.00 10.13 H new ATOM 1288 N PHE A 88 21.573 -80.108 -7.551 1.00 23.24 N ATOM 1289 CA PHE A 88 20.360 -80.082 -8.355 1.00 53.22 C ATOM 1290 C PHE A 88 19.112 -79.979 -7.474 1.00 41.43 C ATOM 1291 O PHE A 88 18.216 -79.180 -7.749 1.00 24.23 O ATOM 1292 CB PHE A 88 20.292 -81.341 -9.234 1.00 13.44 C ATOM 1293 CG PHE A 88 19.378 -81.199 -10.422 1.00 60.45 C ATOM 1294 CD1 PHE A 88 19.863 -80.697 -11.619 1.00 2.04 C ATOM 1295 CD2 PHE A 88 18.040 -81.562 -10.347 1.00 41.43 C ATOM 1296 CE1 PHE A 88 19.039 -80.561 -12.715 1.00 65.45 C ATOM 1297 CE2 PHE A 88 17.209 -81.427 -11.442 1.00 43.45 C ATOM 1298 CZ PHE A 88 17.709 -80.924 -12.628 1.00 72.11 C ATOM 0 H PHE A 88 22.079 -80.992 -7.592 1.00 23.24 H new ATOM 0 HA PHE A 88 20.390 -79.199 -8.993 1.00 53.22 H new ATOM 0 HB2 PHE A 88 21.295 -81.583 -9.585 1.00 13.44 H new ATOM 0 HB3 PHE A 88 19.956 -82.181 -8.626 1.00 13.44 H new ATOM 0 HD1 PHE A 88 20.901 -80.408 -11.694 1.00 2.04 H new ATOM 0 HD2 PHE A 88 17.644 -81.954 -9.422 1.00 41.43 H new ATOM 0 HE1 PHE A 88 19.433 -80.171 -13.642 1.00 65.45 H new ATOM 0 HE2 PHE A 88 16.170 -81.714 -11.371 1.00 43.45 H new ATOM 0 HZ PHE A 88 17.061 -80.815 -13.485 1.00 72.11 H new ATOM 1308 N VAL A 89 19.054 -80.781 -6.410 1.00 5.13 N ATOM 1309 CA VAL A 89 17.886 -80.790 -5.527 1.00 63.22 C ATOM 1310 C VAL A 89 17.739 -79.441 -4.823 1.00 22.42 C ATOM 1311 O VAL A 89 16.624 -78.959 -4.602 1.00 63.11 O ATOM 1312 CB VAL A 89 17.943 -81.939 -4.479 1.00 62.24 C ATOM 1313 CG1 VAL A 89 19.004 -81.689 -3.412 1.00 41.30 C ATOM 1314 CG2 VAL A 89 16.571 -82.156 -3.842 1.00 71.34 C ATOM 0 H VAL A 89 19.795 -81.428 -6.140 1.00 5.13 H new ATOM 0 HA VAL A 89 17.013 -80.968 -6.155 1.00 63.22 H new ATOM 0 HB VAL A 89 18.229 -82.848 -5.009 1.00 62.24 H new ATOM 0 HG11 VAL A 89 19.008 -82.516 -2.702 1.00 41.30 H new ATOM 0 HG12 VAL A 89 19.983 -81.611 -3.884 1.00 41.30 H new ATOM 0 HG13 VAL A 89 18.780 -80.761 -2.886 1.00 41.30 H new ATOM 0 HG21 VAL A 89 16.632 -82.963 -3.112 1.00 71.34 H new ATOM 0 HG22 VAL A 89 16.252 -81.240 -3.344 1.00 71.34 H new ATOM 0 HG23 VAL A 89 15.849 -82.419 -4.615 1.00 71.34 H new ATOM 1324 N LYS A 90 18.871 -78.820 -4.493 1.00 72.24 N ATOM 1325 CA LYS A 90 18.869 -77.495 -3.882 1.00 63.21 C ATOM 1326 C LYS A 90 18.414 -76.444 -4.890 1.00 31.12 C ATOM 1327 O LYS A 90 17.692 -75.510 -4.532 1.00 14.12 O ATOM 1328 CB LYS A 90 20.253 -77.158 -3.314 1.00 12.24 C ATOM 1329 CG LYS A 90 20.579 -77.949 -2.052 1.00 73.32 C ATOM 1330 CD LYS A 90 22.004 -77.711 -1.571 1.00 40.24 C ATOM 1331 CE LYS A 90 22.261 -78.409 -0.244 1.00 1.53 C ATOM 1332 NZ LYS A 90 23.707 -78.464 0.073 1.00 60.33 N ATOM 0 H LYS A 90 19.800 -79.215 -4.639 1.00 72.24 H new ATOM 0 HA LYS A 90 18.161 -77.496 -3.053 1.00 63.21 H new ATOM 0 HB2 LYS A 90 21.011 -77.360 -4.071 1.00 12.24 H new ATOM 0 HB3 LYS A 90 20.301 -76.092 -3.092 1.00 12.24 H new ATOM 0 HG2 LYS A 90 19.881 -77.672 -1.262 1.00 73.32 H new ATOM 0 HG3 LYS A 90 20.436 -79.012 -2.246 1.00 73.32 H new ATOM 0 HD2 LYS A 90 22.709 -78.075 -2.319 1.00 40.24 H new ATOM 0 HD3 LYS A 90 22.180 -76.641 -1.462 1.00 40.24 H new ATOM 0 HE2 LYS A 90 21.733 -77.884 0.552 1.00 1.53 H new ATOM 0 HE3 LYS A 90 21.857 -79.421 -0.280 1.00 1.53 H new ATOM 0 HZ1 LYS A 90 23.837 -78.822 1.041 1.00 60.33 H new ATOM 0 HZ2 LYS A 90 24.186 -79.098 -0.598 1.00 60.33 H new ATOM 0 HZ3 LYS A 90 24.115 -77.510 -0.001 1.00 60.33 H new ATOM 1346 N TYR A 91 18.816 -76.607 -6.152 1.00 10.11 N ATOM 1347 CA TYR A 91 18.313 -75.749 -7.224 1.00 12.44 C ATOM 1348 C TYR A 91 16.797 -75.899 -7.322 1.00 44.40 C ATOM 1349 O TYR A 91 16.071 -74.921 -7.499 1.00 2.03 O ATOM 1350 CB TYR A 91 18.974 -76.104 -8.568 1.00 54.24 C ATOM 1351 CG TYR A 91 18.276 -75.497 -9.779 1.00 52.31 C ATOM 1352 CD1 TYR A 91 18.573 -74.208 -10.215 1.00 71.31 C ATOM 1353 CD2 TYR A 91 17.312 -76.217 -10.478 1.00 52.30 C ATOM 1354 CE1 TYR A 91 17.926 -73.658 -11.308 1.00 23.41 C ATOM 1355 CE2 TYR A 91 16.665 -75.675 -11.572 1.00 24.51 C ATOM 1356 CZ TYR A 91 16.974 -74.396 -11.983 1.00 4.44 C ATOM 1357 OH TYR A 91 16.316 -73.854 -13.065 1.00 53.33 O ATOM 0 H TYR A 91 19.482 -77.318 -6.454 1.00 10.11 H new ATOM 0 HA TYR A 91 18.562 -74.713 -6.993 1.00 12.44 H new ATOM 0 HB2 TYR A 91 20.011 -75.767 -8.552 1.00 54.24 H new ATOM 0 HB3 TYR A 91 18.993 -77.188 -8.677 1.00 54.24 H new ATOM 0 HD1 TYR A 91 19.320 -73.629 -9.692 1.00 71.31 H new ATOM 0 HD2 TYR A 91 17.065 -77.219 -10.159 1.00 52.30 H new ATOM 0 HE1 TYR A 91 18.165 -72.656 -11.632 1.00 23.41 H new ATOM 0 HE2 TYR A 91 15.921 -76.251 -12.102 1.00 24.51 H new ATOM 0 HH TYR A 91 16.039 -74.571 -13.672 1.00 53.33 H new ATOM 1367 N LEU A 92 16.334 -77.135 -7.186 1.00 51.34 N ATOM 1368 CA LEU A 92 14.912 -77.445 -7.265 1.00 60.14 C ATOM 1369 C LEU A 92 14.164 -76.802 -6.098 1.00 5.34 C ATOM 1370 O LEU A 92 13.036 -76.339 -6.253 1.00 21.55 O ATOM 1371 CB LEU A 92 14.700 -78.968 -7.269 1.00 42.10 C ATOM 1372 CG LEU A 92 13.602 -79.482 -8.217 1.00 14.12 C ATOM 1373 CD1 LEU A 92 12.249 -78.857 -7.895 1.00 1.11 C ATOM 1374 CD2 LEU A 92 13.992 -79.218 -9.672 1.00 4.50 C ATOM 0 H LEU A 92 16.929 -77.946 -7.019 1.00 51.34 H new ATOM 0 HA LEU A 92 14.515 -77.038 -8.195 1.00 60.14 H new ATOM 0 HB2 LEU A 92 15.641 -79.448 -7.538 1.00 42.10 H new ATOM 0 HB3 LEU A 92 14.458 -79.286 -6.255 1.00 42.10 H new ATOM 0 HG LEU A 92 13.507 -80.558 -8.071 1.00 14.12 H new ATOM 0 HD11 LEU A 92 11.497 -79.242 -8.584 1.00 1.11 H new ATOM 0 HD12 LEU A 92 11.967 -79.107 -6.872 1.00 1.11 H new ATOM 0 HD13 LEU A 92 12.315 -77.774 -7.998 1.00 1.11 H new ATOM 0 HD21 LEU A 92 13.207 -79.587 -10.332 1.00 4.50 H new ATOM 0 HD22 LEU A 92 14.122 -78.147 -9.825 1.00 4.50 H new ATOM 0 HD23 LEU A 92 14.926 -79.732 -9.897 1.00 4.50 H new ATOM 1386 N HIS A 93 14.805 -76.775 -4.928 1.00 5.42 N ATOM 1387 CA HIS A 93 14.234 -76.112 -3.754 1.00 23.34 C ATOM 1388 C HIS A 93 13.999 -74.630 -4.048 1.00 11.23 C ATOM 1389 O HIS A 93 13.096 -74.007 -3.484 1.00 14.15 O ATOM 1390 CB HIS A 93 15.152 -76.271 -2.531 1.00 35.40 C ATOM 1391 CG HIS A 93 15.361 -77.695 -2.109 1.00 30.45 C ATOM 1392 ND1 HIS A 93 16.456 -78.110 -1.382 1.00 2.31 N ATOM 1393 CD2 HIS A 93 14.608 -78.803 -2.315 1.00 73.34 C ATOM 1394 CE1 HIS A 93 16.369 -79.407 -1.160 1.00 65.23 C ATOM 1395 NE2 HIS A 93 15.257 -79.852 -1.714 1.00 2.30 N ATOM 0 H HIS A 93 15.717 -77.203 -4.768 1.00 5.42 H new ATOM 0 HA HIS A 93 13.279 -76.585 -3.526 1.00 23.34 H new ATOM 0 HB2 HIS A 93 16.120 -75.823 -2.755 1.00 35.40 H new ATOM 0 HB3 HIS A 93 14.728 -75.713 -1.696 1.00 35.40 H new ATOM 0 HD2 HIS A 93 13.672 -78.851 -2.852 1.00 73.34 H new ATOM 0 HE1 HIS A 93 17.086 -80.004 -0.617 1.00 65.23 H new ATOM 0 HE2 HIS A 93 14.933 -80.819 -1.698 1.00 2.30 H new ATOM 1404 N LYS A 94 14.823 -74.077 -4.935 1.00 64.43 N ATOM 1405 CA LYS A 94 14.655 -72.704 -5.403 1.00 13.01 C ATOM 1406 C LYS A 94 13.569 -72.650 -6.478 1.00 4.10 C ATOM 1407 O LYS A 94 12.785 -71.695 -6.547 1.00 53.20 O ATOM 1408 CB LYS A 94 15.982 -72.168 -5.966 1.00 13.44 C ATOM 1409 CG LYS A 94 15.931 -70.718 -6.471 1.00 34.11 C ATOM 1410 CD LYS A 94 16.182 -69.685 -5.366 1.00 31.12 C ATOM 1411 CE LYS A 94 15.066 -69.639 -4.324 1.00 75.41 C ATOM 1412 NZ LYS A 94 15.328 -68.617 -3.274 1.00 1.31 N ATOM 0 H LYS A 94 15.620 -74.563 -5.347 1.00 64.43 H new ATOM 0 HA LYS A 94 14.354 -72.079 -4.562 1.00 13.01 H new ATOM 0 HB2 LYS A 94 16.745 -72.241 -5.191 1.00 13.44 H new ATOM 0 HB3 LYS A 94 16.299 -72.812 -6.786 1.00 13.44 H new ATOM 0 HG2 LYS A 94 16.675 -70.587 -7.257 1.00 34.11 H new ATOM 0 HG3 LYS A 94 14.956 -70.530 -6.920 1.00 34.11 H new ATOM 0 HD2 LYS A 94 17.125 -69.914 -4.870 1.00 31.12 H new ATOM 0 HD3 LYS A 94 16.291 -68.699 -5.817 1.00 31.12 H new ATOM 0 HE2 LYS A 94 14.119 -69.419 -4.816 1.00 75.41 H new ATOM 0 HE3 LYS A 94 14.963 -70.619 -3.859 1.00 75.41 H new ATOM 0 HZ1 LYS A 94 14.548 -68.618 -2.587 1.00 1.31 H new ATOM 0 HZ2 LYS A 94 16.219 -68.841 -2.787 1.00 1.31 H new ATOM 0 HZ3 LYS A 94 15.401 -67.678 -3.714 1.00 1.31 H new ATOM 1426 N GLY A 95 13.537 -73.685 -7.311 1.00 31.54 N ATOM 1427 CA GLY A 95 12.556 -73.781 -8.375 1.00 21.24 C ATOM 1428 C GLY A 95 12.933 -72.943 -9.578 1.00 10.52 C ATOM 1429 O GLY A 95 13.964 -73.178 -10.211 1.00 3.03 O ATOM 0 H GLY A 95 14.185 -74.471 -7.265 1.00 31.54 H new ATOM 0 HA2 GLY A 95 12.452 -74.823 -8.678 1.00 21.24 H new ATOM 0 HA3 GLY A 95 11.584 -73.460 -8.001 1.00 21.24 H new ATOM 1433 N SER A 96 12.095 -71.967 -9.894 1.00 75.45 N ATOM 1434 CA SER A 96 12.342 -71.056 -10.997 1.00 64.44 C ATOM 1435 C SER A 96 12.259 -69.613 -10.498 1.00 73.22 C ATOM 1436 O SER A 96 11.464 -69.309 -9.607 1.00 41.20 O ATOM 1437 CB SER A 96 11.316 -71.300 -12.117 1.00 73.31 C ATOM 1438 OG SER A 96 11.489 -70.394 -13.199 1.00 75.44 O ATOM 0 H SER A 96 11.226 -71.786 -9.392 1.00 75.45 H new ATOM 0 HA SER A 96 13.340 -71.232 -11.398 1.00 64.44 H new ATOM 0 HB2 SER A 96 11.412 -72.323 -12.481 1.00 73.31 H new ATOM 0 HB3 SER A 96 10.308 -71.198 -11.715 1.00 73.31 H new ATOM 0 HG SER A 96 10.622 -70.219 -13.621 1.00 75.44 H new ATOM 1444 N PRO A 97 13.088 -68.703 -11.042 1.00 15.32 N ATOM 1445 CA PRO A 97 13.010 -67.279 -10.700 1.00 63.34 C ATOM 1446 C PRO A 97 11.688 -66.664 -11.167 1.00 3.15 C ATOM 1447 O PRO A 97 11.308 -65.576 -10.731 1.00 13.01 O ATOM 1448 CB PRO A 97 14.202 -66.656 -11.446 1.00 53.52 C ATOM 1449 CG PRO A 97 14.512 -67.617 -12.546 1.00 13.42 C ATOM 1450 CD PRO A 97 14.163 -68.983 -12.014 1.00 51.42 C ATOM 0 HA PRO A 97 13.047 -67.106 -9.624 1.00 63.34 H new ATOM 0 HB2 PRO A 97 13.950 -65.672 -11.841 1.00 53.52 H new ATOM 0 HB3 PRO A 97 15.058 -66.524 -10.784 1.00 53.52 H new ATOM 0 HG2 PRO A 97 13.933 -67.387 -13.440 1.00 13.42 H new ATOM 0 HG3 PRO A 97 15.564 -67.564 -12.825 1.00 13.42 H new ATOM 0 HD2 PRO A 97 13.825 -69.650 -12.807 1.00 51.42 H new ATOM 0 HD3 PRO A 97 15.020 -69.461 -11.540 1.00 51.42 H new ATOM 1458 N LYS A 98 10.989 -67.377 -12.054 1.00 53.54 N ATOM 1459 CA LYS A 98 9.712 -66.912 -12.593 1.00 24.34 C ATOM 1460 C LYS A 98 8.541 -67.542 -11.840 1.00 74.31 C ATOM 1461 O LYS A 98 7.456 -66.960 -11.754 1.00 21.32 O ATOM 1462 CB LYS A 98 9.616 -67.266 -14.084 1.00 51.22 C ATOM 1463 CG LYS A 98 8.401 -66.674 -14.793 1.00 43.41 C ATOM 1464 CD LYS A 98 8.446 -65.148 -14.805 1.00 31.02 C ATOM 1465 CE LYS A 98 7.289 -64.551 -15.597 1.00 2.21 C ATOM 1466 NZ LYS A 98 7.367 -63.069 -15.650 1.00 75.23 N ATOM 0 H LYS A 98 11.289 -68.283 -12.414 1.00 53.54 H new ATOM 0 HA LYS A 98 9.662 -65.830 -12.470 1.00 24.34 H new ATOM 0 HB2 LYS A 98 10.519 -66.920 -14.586 1.00 51.22 H new ATOM 0 HB3 LYS A 98 9.589 -68.351 -14.187 1.00 51.22 H new ATOM 0 HG2 LYS A 98 8.360 -67.045 -15.817 1.00 43.41 H new ATOM 0 HG3 LYS A 98 7.490 -67.008 -14.296 1.00 43.41 H new ATOM 0 HD2 LYS A 98 8.415 -64.776 -13.781 1.00 31.02 H new ATOM 0 HD3 LYS A 98 9.390 -64.816 -15.236 1.00 31.02 H new ATOM 0 HE2 LYS A 98 7.296 -64.952 -16.610 1.00 2.21 H new ATOM 0 HE3 LYS A 98 6.344 -64.850 -15.143 1.00 2.21 H new ATOM 0 HZ1 LYS A 98 6.564 -62.698 -16.197 1.00 75.23 H new ATOM 0 HZ2 LYS A 98 7.335 -62.685 -14.684 1.00 75.23 H new ATOM 0 HZ3 LYS A 98 8.257 -62.784 -16.106 1.00 75.23 H new ATOM 1480 N SER A 99 8.772 -68.722 -11.275 1.00 22.33 N ATOM 1481 CA SER A 99 7.718 -69.478 -10.607 1.00 33.13 C ATOM 1482 C SER A 99 8.257 -70.189 -9.364 1.00 51.15 C ATOM 1483 O SER A 99 9.275 -70.885 -9.419 1.00 65.20 O ATOM 1484 CB SER A 99 7.096 -70.480 -11.594 1.00 24.15 C ATOM 1485 OG SER A 99 8.089 -71.128 -12.376 1.00 42.35 O ATOM 0 H SER A 99 9.684 -69.178 -11.266 1.00 22.33 H new ATOM 0 HA SER A 99 6.943 -68.787 -10.275 1.00 33.13 H new ATOM 0 HB2 SER A 99 6.522 -71.225 -11.044 1.00 24.15 H new ATOM 0 HB3 SER A 99 6.398 -69.960 -12.250 1.00 24.15 H new ATOM 0 HG SER A 99 7.762 -71.240 -13.293 1.00 42.35 H new ATOM 1491 N VAL A 100 7.565 -70.009 -8.241 1.00 74.22 N ATOM 1492 CA VAL A 100 7.982 -70.594 -6.978 1.00 45.42 C ATOM 1493 C VAL A 100 7.416 -72.003 -6.849 1.00 51.00 C ATOM 1494 O VAL A 100 6.372 -72.309 -7.428 1.00 74.34 O ATOM 1495 CB VAL A 100 7.500 -69.737 -5.779 1.00 21.34 C ATOM 1496 CG1 VAL A 100 8.138 -70.209 -4.473 1.00 13.01 C ATOM 1497 CG2 VAL A 100 7.779 -68.255 -6.020 1.00 20.43 C ATOM 0 H VAL A 100 6.708 -69.458 -8.185 1.00 74.22 H new ATOM 0 HA VAL A 100 9.071 -70.629 -6.965 1.00 45.42 H new ATOM 0 HB VAL A 100 6.421 -69.866 -5.688 1.00 21.34 H new ATOM 0 HG11 VAL A 100 7.782 -69.590 -3.650 1.00 13.01 H new ATOM 0 HG12 VAL A 100 7.866 -71.248 -4.290 1.00 13.01 H new ATOM 0 HG13 VAL A 100 9.222 -70.126 -4.547 1.00 13.01 H new ATOM 0 HG21 VAL A 100 7.432 -67.676 -5.165 1.00 20.43 H new ATOM 0 HG22 VAL A 100 8.850 -68.103 -6.150 1.00 20.43 H new ATOM 0 HG23 VAL A 100 7.254 -67.927 -6.917 1.00 20.43 H new ATOM 1507 N VAL A 101 8.103 -72.852 -6.099 1.00 73.33 N ATOM 1508 CA VAL A 101 7.655 -74.219 -5.879 1.00 33.12 C ATOM 1509 C VAL A 101 6.535 -74.259 -4.837 1.00 14.21 C ATOM 1510 O VAL A 101 6.627 -73.628 -3.782 1.00 71.23 O ATOM 1511 CB VAL A 101 8.823 -75.138 -5.432 1.00 1.53 C ATOM 1512 CG1 VAL A 101 9.897 -75.202 -6.517 1.00 0.11 C ATOM 1513 CG2 VAL A 101 9.418 -74.665 -4.103 1.00 23.20 C ATOM 0 H VAL A 101 8.978 -72.616 -5.630 1.00 73.33 H new ATOM 0 HA VAL A 101 7.273 -74.592 -6.829 1.00 33.12 H new ATOM 0 HB VAL A 101 8.427 -76.142 -5.280 1.00 1.53 H new ATOM 0 HG11 VAL A 101 10.709 -75.850 -6.188 1.00 0.11 H new ATOM 0 HG12 VAL A 101 9.464 -75.600 -7.435 1.00 0.11 H new ATOM 0 HG13 VAL A 101 10.285 -74.201 -6.704 1.00 0.11 H new ATOM 0 HG21 VAL A 101 10.234 -75.327 -3.814 1.00 23.20 H new ATOM 0 HG22 VAL A 101 9.797 -73.649 -4.215 1.00 23.20 H new ATOM 0 HG23 VAL A 101 8.647 -74.682 -3.333 1.00 23.20 H new ATOM 1523 N LYS A 102 5.460 -74.966 -5.163 1.00 25.24 N ATOM 1524 CA LYS A 102 4.373 -75.203 -4.218 1.00 22.23 C ATOM 1525 C LYS A 102 4.803 -76.290 -3.245 1.00 52.51 C ATOM 1526 O LYS A 102 4.727 -76.128 -2.025 1.00 64.20 O ATOM 1527 CB LYS A 102 3.095 -75.604 -4.973 1.00 14.41 C ATOM 1528 CG LYS A 102 1.896 -75.918 -4.079 1.00 2.24 C ATOM 1529 CD LYS A 102 0.630 -76.154 -4.904 1.00 35.55 C ATOM 1530 CE LYS A 102 -0.571 -76.507 -4.030 1.00 34.44 C ATOM 1531 NZ LYS A 102 -0.419 -77.836 -3.381 1.00 11.03 N ATOM 0 H LYS A 102 5.316 -75.388 -6.080 1.00 25.24 H new ATOM 0 HA LYS A 102 4.153 -74.293 -3.660 1.00 22.23 H new ATOM 0 HB2 LYS A 102 2.822 -74.796 -5.652 1.00 14.41 H new ATOM 0 HB3 LYS A 102 3.312 -76.478 -5.587 1.00 14.41 H new ATOM 0 HG2 LYS A 102 2.110 -76.802 -3.478 1.00 2.24 H new ATOM 0 HG3 LYS A 102 1.732 -75.093 -3.386 1.00 2.24 H new ATOM 0 HD2 LYS A 102 0.404 -75.259 -5.484 1.00 35.55 H new ATOM 0 HD3 LYS A 102 0.808 -76.959 -5.617 1.00 35.55 H new ATOM 0 HE2 LYS A 102 -0.698 -75.742 -3.264 1.00 34.44 H new ATOM 0 HE3 LYS A 102 -1.475 -76.502 -4.638 1.00 34.44 H new ATOM 0 HZ1 LYS A 102 -1.303 -78.088 -2.895 1.00 11.03 H new ATOM 0 HZ2 LYS A 102 -0.205 -78.553 -4.104 1.00 11.03 H new ATOM 0 HZ3 LYS A 102 0.358 -77.798 -2.690 1.00 11.03 H new ATOM 1545 N LYS A 103 5.273 -77.396 -3.808 1.00 12.03 N ATOM 1546 CA LYS A 103 5.899 -78.456 -3.035 1.00 72.44 C ATOM 1547 C LYS A 103 6.697 -79.364 -3.969 1.00 14.24 C ATOM 1548 O LYS A 103 6.339 -79.529 -5.147 1.00 53.50 O ATOM 1549 CB LYS A 103 4.851 -79.261 -2.249 1.00 61.22 C ATOM 1550 CG LYS A 103 5.460 -80.175 -1.189 1.00 3.35 C ATOM 1551 CD LYS A 103 4.397 -80.850 -0.323 1.00 22.31 C ATOM 1552 CE LYS A 103 5.021 -81.672 0.799 1.00 15.43 C ATOM 1553 NZ LYS A 103 3.993 -82.358 1.625 1.00 35.52 N ATOM 0 H LYS A 103 5.230 -77.581 -4.810 1.00 12.03 H new ATOM 0 HA LYS A 103 6.577 -78.009 -2.308 1.00 72.44 H new ATOM 0 HB2 LYS A 103 4.158 -78.570 -1.768 1.00 61.22 H new ATOM 0 HB3 LYS A 103 4.268 -79.863 -2.946 1.00 61.22 H new ATOM 0 HG2 LYS A 103 6.067 -80.938 -1.676 1.00 3.35 H new ATOM 0 HG3 LYS A 103 6.128 -79.595 -0.553 1.00 3.35 H new ATOM 0 HD2 LYS A 103 3.740 -80.092 0.104 1.00 22.31 H new ATOM 0 HD3 LYS A 103 3.777 -81.495 -0.945 1.00 22.31 H new ATOM 0 HE2 LYS A 103 5.697 -82.413 0.373 1.00 15.43 H new ATOM 0 HE3 LYS A 103 5.621 -81.021 1.434 1.00 15.43 H new ATOM 0 HZ1 LYS A 103 4.460 -82.906 2.376 1.00 35.52 H new ATOM 0 HZ2 LYS A 103 3.363 -81.650 2.053 1.00 35.52 H new ATOM 0 HZ3 LYS A 103 3.436 -82.999 1.024 1.00 35.52 H new ATOM 1567 N VAL A 104 7.784 -79.928 -3.451 1.00 20.25 N ATOM 1568 CA VAL A 104 8.659 -80.796 -4.232 1.00 63.52 C ATOM 1569 C VAL A 104 8.654 -82.216 -3.657 1.00 23.40 C ATOM 1570 O VAL A 104 8.569 -82.405 -2.442 1.00 41.12 O ATOM 1571 CB VAL A 104 10.108 -80.232 -4.283 1.00 12.25 C ATOM 1572 CG1 VAL A 104 10.704 -80.109 -2.883 1.00 24.45 C ATOM 1573 CG2 VAL A 104 11.003 -81.086 -5.182 1.00 13.11 C ATOM 0 H VAL A 104 8.082 -79.797 -2.484 1.00 20.25 H new ATOM 0 HA VAL A 104 8.277 -80.831 -5.252 1.00 63.52 H new ATOM 0 HB VAL A 104 10.055 -79.232 -4.714 1.00 12.25 H new ATOM 0 HG11 VAL A 104 11.717 -79.712 -2.952 1.00 24.45 H new ATOM 0 HG12 VAL A 104 10.091 -79.436 -2.284 1.00 24.45 H new ATOM 0 HG13 VAL A 104 10.731 -81.091 -2.411 1.00 24.45 H new ATOM 0 HG21 VAL A 104 12.009 -80.667 -5.198 1.00 13.11 H new ATOM 0 HG22 VAL A 104 11.040 -82.105 -4.796 1.00 13.11 H new ATOM 0 HG23 VAL A 104 10.598 -81.096 -6.194 1.00 13.11 H new ATOM 1583 N SER A 105 8.729 -83.200 -4.541 1.00 70.15 N ATOM 1584 CA SER A 105 8.672 -84.608 -4.169 1.00 14.10 C ATOM 1585 C SER A 105 9.781 -85.374 -4.886 1.00 74.04 C ATOM 1586 O SER A 105 9.906 -85.283 -6.109 1.00 24.02 O ATOM 1587 CB SER A 105 7.305 -85.183 -4.562 1.00 4.52 C ATOM 1588 OG SER A 105 6.245 -84.452 -3.968 1.00 72.03 O ATOM 0 H SER A 105 8.832 -83.044 -5.544 1.00 70.15 H new ATOM 0 HA SER A 105 8.810 -84.706 -3.092 1.00 14.10 H new ATOM 0 HB2 SER A 105 7.199 -85.164 -5.647 1.00 4.52 H new ATOM 0 HB3 SER A 105 7.246 -86.227 -4.254 1.00 4.52 H new ATOM 0 HG SER A 105 5.934 -83.762 -4.591 1.00 72.03 H new ATOM 1594 N ILE A 106 10.588 -86.111 -4.131 1.00 60.24 N ATOM 1595 CA ILE A 106 11.688 -86.882 -4.703 1.00 10.30 C ATOM 1596 C ILE A 106 11.472 -88.379 -4.443 1.00 61.14 C ATOM 1597 O ILE A 106 10.760 -88.750 -3.502 1.00 52.41 O ATOM 1598 CB ILE A 106 13.053 -86.437 -4.108 1.00 72.12 C ATOM 1599 CG1 ILE A 106 13.142 -84.901 -4.010 1.00 61.14 C ATOM 1600 CG2 ILE A 106 14.199 -86.968 -4.961 1.00 61.45 C ATOM 1601 CD1 ILE A 106 13.113 -84.190 -5.349 1.00 61.02 C ATOM 0 H ILE A 106 10.501 -86.191 -3.118 1.00 60.24 H new ATOM 0 HA ILE A 106 11.706 -86.699 -5.777 1.00 10.30 H new ATOM 0 HB ILE A 106 13.132 -86.851 -3.103 1.00 72.12 H new ATOM 0 HG12 ILE A 106 12.314 -84.538 -3.401 1.00 61.14 H new ATOM 0 HG13 ILE A 106 14.062 -84.634 -3.489 1.00 61.14 H new ATOM 0 HG21 ILE A 106 15.149 -86.649 -4.533 1.00 61.45 H new ATOM 0 HG22 ILE A 106 14.160 -88.057 -4.986 1.00 61.45 H new ATOM 0 HG23 ILE A 106 14.109 -86.578 -5.975 1.00 61.45 H new ATOM 0 HD11 ILE A 106 13.180 -83.114 -5.191 1.00 61.02 H new ATOM 0 HD12 ILE A 106 13.956 -84.521 -5.955 1.00 61.02 H new ATOM 0 HD13 ILE A 106 12.182 -84.424 -5.865 1.00 61.02 H new ATOM 1613 N HIS A 107 12.069 -89.238 -5.277 1.00 62.33 N ATOM 1614 CA HIS A 107 11.923 -90.690 -5.124 1.00 42.21 C ATOM 1615 C HIS A 107 13.267 -91.397 -5.342 1.00 3.14 C ATOM 1616 O HIS A 107 14.051 -91.006 -6.198 1.00 44.31 O ATOM 1617 CB HIS A 107 10.862 -91.229 -6.097 1.00 1.15 C ATOM 1618 CG HIS A 107 10.391 -92.621 -5.780 1.00 52.33 C ATOM 1619 ND1 HIS A 107 10.896 -93.830 -6.120 1.00 63.51 N flip ATOM 1620 CD2 HIS A 107 9.260 -92.883 -5.036 1.00 51.43 C flip ATOM 1621 CE1 HIS A 107 10.070 -94.785 -5.588 1.00 61.40 C flip ATOM 1622 NE2 HIS A 107 9.091 -94.189 -4.938 1.00 21.31 N flip ATOM 0 H HIS A 107 12.656 -88.954 -6.062 1.00 62.33 H new ATOM 0 HA HIS A 107 11.593 -90.896 -4.106 1.00 42.21 H new ATOM 0 HB2 HIS A 107 10.004 -90.556 -6.092 1.00 1.15 H new ATOM 0 HB3 HIS A 107 11.271 -91.216 -7.107 1.00 1.15 H new ATOM 0 HD2 HIS A 107 8.613 -92.136 -4.601 1.00 51.43 H new ATOM 0 HE1 HIS A 107 10.200 -95.853 -5.686 1.00 61.40 H new ATOM 0 HE2 HIS A 107 8.332 -94.657 -4.443 1.00 21.31 H new ATOM 1631 N ALA A 108 13.479 -92.469 -4.586 1.00 62.21 N ATOM 1632 CA ALA A 108 14.767 -93.178 -4.483 1.00 71.54 C ATOM 1633 C ALA A 108 15.172 -93.985 -5.734 1.00 51.20 C ATOM 1634 O ALA A 108 16.161 -94.717 -5.686 1.00 13.21 O ATOM 1635 CB ALA A 108 14.756 -94.082 -3.255 1.00 1.01 C ATOM 0 H ALA A 108 12.747 -92.886 -4.010 1.00 62.21 H new ATOM 0 HA ALA A 108 15.525 -92.400 -4.391 1.00 71.54 H new ATOM 0 HB1 ALA A 108 15.709 -94.606 -3.180 1.00 1.01 H new ATOM 0 HB2 ALA A 108 14.602 -93.479 -2.360 1.00 1.01 H new ATOM 0 HB3 ALA A 108 13.949 -94.809 -3.346 1.00 1.01 H new ATOM 1641 N SER A 109 14.422 -93.880 -6.831 1.00 22.12 N ATOM 1642 CA SER A 109 14.582 -94.808 -7.963 1.00 13.31 C ATOM 1643 C SER A 109 16.000 -94.765 -8.550 1.00 70.35 C ATOM 1644 O SER A 109 16.554 -93.694 -8.792 1.00 20.01 O ATOM 1645 CB SER A 109 13.584 -94.447 -9.068 1.00 75.32 C ATOM 1646 OG SER A 109 12.245 -94.590 -8.621 1.00 74.32 O ATOM 0 H SER A 109 13.702 -93.170 -6.965 1.00 22.12 H new ATOM 0 HA SER A 109 14.398 -95.814 -7.586 1.00 13.31 H new ATOM 0 HB2 SER A 109 13.753 -93.420 -9.393 1.00 75.32 H new ATOM 0 HB3 SER A 109 13.751 -95.087 -9.935 1.00 75.32 H new ATOM 0 HG SER A 109 12.152 -94.188 -7.732 1.00 74.32 H new ATOM 1652 N SER A 110 16.560 -95.960 -8.775 1.00 53.15 N ATOM 1653 CA SER A 110 17.941 -96.132 -9.230 1.00 44.34 C ATOM 1654 C SER A 110 18.146 -95.661 -10.677 1.00 21.33 C ATOM 1655 O SER A 110 17.197 -95.254 -11.350 1.00 40.12 O ATOM 1656 CB SER A 110 18.337 -97.606 -9.080 1.00 20.12 C ATOM 1657 OG SER A 110 17.317 -98.464 -9.575 1.00 61.20 O ATOM 0 H SER A 110 16.062 -96.840 -8.645 1.00 53.15 H new ATOM 0 HA SER A 110 18.583 -95.507 -8.609 1.00 44.34 H new ATOM 0 HB2 SER A 110 19.266 -97.793 -9.618 1.00 20.12 H new ATOM 0 HB3 SER A 110 18.527 -97.830 -8.030 1.00 20.12 H new ATOM 0 HG SER A 110 17.595 -99.398 -9.469 1.00 61.20 H new ATOM 1663 N ARG A 111 19.398 -95.758 -11.146 1.00 10.21 N ATOM 1664 CA ARG A 111 19.815 -95.217 -12.445 1.00 70.34 C ATOM 1665 C ARG A 111 18.914 -95.711 -13.585 1.00 33.55 C ATOM 1666 O ARG A 111 18.536 -96.882 -13.630 1.00 43.23 O ATOM 1667 CB ARG A 111 21.287 -95.585 -12.715 1.00 25.13 C ATOM 1668 CG ARG A 111 21.931 -94.791 -13.848 1.00 15.51 C ATOM 1669 CD ARG A 111 23.432 -95.061 -13.956 1.00 32.52 C ATOM 1670 NE ARG A 111 23.725 -96.416 -14.433 1.00 21.10 N ATOM 1671 CZ ARG A 111 24.800 -97.128 -14.081 1.00 63.31 C ATOM 1672 NH1 ARG A 111 25.668 -96.653 -13.194 1.00 42.52 N ATOM 1673 NH2 ARG A 111 25.001 -98.325 -14.622 1.00 12.12 N ATOM 0 H ARG A 111 20.151 -96.215 -10.633 1.00 10.21 H new ATOM 0 HA ARG A 111 19.717 -94.132 -12.407 1.00 70.34 H new ATOM 0 HB2 ARG A 111 21.863 -95.428 -11.803 1.00 25.13 H new ATOM 0 HB3 ARG A 111 21.347 -96.648 -12.951 1.00 25.13 H new ATOM 0 HG2 ARG A 111 21.448 -95.048 -14.791 1.00 15.51 H new ATOM 0 HG3 ARG A 111 21.765 -93.726 -13.684 1.00 15.51 H new ATOM 0 HD2 ARG A 111 23.881 -94.335 -14.634 1.00 32.52 H new ATOM 0 HD3 ARG A 111 23.896 -94.914 -12.980 1.00 32.52 H new ATOM 0 HE ARG A 111 23.062 -96.845 -15.079 1.00 21.10 H new ATOM 0 HH11 ARG A 111 25.518 -95.736 -12.774 1.00 42.52 H new ATOM 0 HH12 ARG A 111 26.485 -97.206 -12.933 1.00 42.52 H new ATOM 0 HH21 ARG A 111 24.337 -98.695 -15.302 1.00 12.12 H new ATOM 0 HH22 ARG A 111 25.819 -98.873 -14.358 1.00 12.12 H new ATOM 1687 N VAL A 112 18.577 -94.795 -14.495 1.00 42.33 N ATOM 1688 CA VAL A 112 17.672 -95.074 -15.612 1.00 22.53 C ATOM 1689 C VAL A 112 18.247 -94.526 -16.916 1.00 21.24 C ATOM 1690 O VAL A 112 19.309 -93.901 -16.923 1.00 51.15 O ATOM 1691 CB VAL A 112 16.273 -94.442 -15.385 1.00 42.34 C ATOM 1692 CG1 VAL A 112 15.581 -95.048 -14.164 1.00 12.25 C ATOM 1693 CG2 VAL A 112 16.390 -92.924 -15.248 1.00 12.43 C ATOM 0 H VAL A 112 18.925 -93.836 -14.478 1.00 42.33 H new ATOM 0 HA VAL A 112 17.567 -96.157 -15.674 1.00 22.53 H new ATOM 0 HB VAL A 112 15.656 -94.664 -16.256 1.00 42.34 H new ATOM 0 HG11 VAL A 112 14.603 -94.584 -14.032 1.00 12.25 H new ATOM 0 HG12 VAL A 112 15.457 -96.121 -14.311 1.00 12.25 H new ATOM 0 HG13 VAL A 112 16.189 -94.872 -13.277 1.00 12.25 H new ATOM 0 HG21 VAL A 112 15.400 -92.496 -15.089 1.00 12.43 H new ATOM 0 HG22 VAL A 112 17.030 -92.684 -14.399 1.00 12.43 H new ATOM 0 HG23 VAL A 112 16.823 -92.509 -16.158 1.00 12.43 H new ATOM 1703 N ASP A 113 17.549 -94.789 -18.017 1.00 71.41 N ATOM 1704 CA ASP A 113 17.927 -94.246 -19.323 1.00 61.45 C ATOM 1705 C ASP A 113 17.653 -92.743 -19.364 1.00 54.52 C ATOM 1706 O ASP A 113 16.526 -92.304 -19.113 1.00 71.24 O ATOM 1707 CB ASP A 113 17.152 -94.943 -20.450 1.00 13.55 C ATOM 1708 CG ASP A 113 17.424 -96.436 -20.515 1.00 74.32 C ATOM 1709 OD1 ASP A 113 16.759 -97.198 -19.780 1.00 41.05 O ATOM 1710 OD2 ASP A 113 18.293 -96.859 -21.303 1.00 52.52 O ATOM 0 H ASP A 113 16.715 -95.377 -18.033 1.00 71.41 H new ATOM 0 HA ASP A 113 18.992 -94.425 -19.471 1.00 61.45 H new ATOM 0 HB2 ASP A 113 16.084 -94.779 -20.306 1.00 13.55 H new ATOM 0 HB3 ASP A 113 17.419 -94.488 -21.404 1.00 13.55 H new ATOM 1715 N ALA A 114 18.681 -91.966 -19.679 1.00 61.52 N ATOM 1716 CA ALA A 114 18.570 -90.510 -19.735 1.00 14.04 C ATOM 1717 C ALA A 114 17.992 -90.055 -21.074 1.00 42.21 C ATOM 1718 O ALA A 114 18.029 -90.794 -22.064 1.00 32.43 O ATOM 1719 CB ALA A 114 19.937 -89.874 -19.502 1.00 51.25 C ATOM 0 H ALA A 114 19.611 -92.322 -19.902 1.00 61.52 H new ATOM 0 HA ALA A 114 17.888 -90.187 -18.948 1.00 14.04 H new ATOM 0 HB1 ALA A 114 19.846 -88.789 -19.545 1.00 51.25 H new ATOM 0 HB2 ALA A 114 20.313 -90.168 -18.522 1.00 51.25 H new ATOM 0 HB3 ALA A 114 20.631 -90.211 -20.272 1.00 51.25 H new ATOM 1725 N ASP A 115 17.469 -88.832 -21.096 1.00 54.31 N ATOM 1726 CA ASP A 115 16.894 -88.244 -22.305 1.00 31.20 C ATOM 1727 C ASP A 115 17.256 -86.763 -22.401 1.00 74.33 C ATOM 1728 O ASP A 115 17.781 -86.305 -23.420 1.00 33.11 O ATOM 1729 CB ASP A 115 15.366 -88.417 -22.320 1.00 63.02 C ATOM 1730 CG ASP A 115 14.702 -87.674 -23.471 1.00 34.15 C ATOM 1731 OD1 ASP A 115 14.837 -88.120 -24.632 1.00 71.54 O ATOM 1732 OD2 ASP A 115 14.038 -86.647 -23.222 1.00 60.54 O ATOM 0 H ASP A 115 17.431 -88.221 -20.280 1.00 54.31 H new ATOM 0 HA ASP A 115 17.310 -88.764 -23.168 1.00 31.20 H new ATOM 0 HB2 ASP A 115 15.125 -89.478 -22.391 1.00 63.02 H new ATOM 0 HB3 ASP A 115 14.955 -88.059 -21.376 1.00 63.02 H new ATOM 1737 N GLY A 116 16.993 -86.026 -21.324 1.00 25.12 N ATOM 1738 CA GLY A 116 17.273 -84.599 -21.299 1.00 51.02 C ATOM 1739 C GLY A 116 16.333 -83.836 -20.379 1.00 52.42 C ATOM 1740 O GLY A 116 15.145 -84.151 -20.284 1.00 24.24 O ATOM 0 H GLY A 116 16.588 -86.394 -20.463 1.00 25.12 H new ATOM 0 HA2 GLY A 116 18.301 -84.440 -20.975 1.00 51.02 H new ATOM 0 HA3 GLY A 116 17.191 -84.198 -22.309 1.00 51.02 H new ATOM 1744 N PHE A 117 16.873 -82.851 -19.674 1.00 5.24 N ATOM 1745 CA PHE A 117 16.075 -81.996 -18.804 1.00 2.31 C ATOM 1746 C PHE A 117 15.479 -80.854 -19.620 1.00 32.41 C ATOM 1747 O PHE A 117 16.219 -79.992 -20.105 1.00 0.02 O ATOM 1748 CB PHE A 117 16.946 -81.414 -17.676 1.00 64.33 C ATOM 1749 CG PHE A 117 17.675 -82.449 -16.847 1.00 64.31 C ATOM 1750 CD1 PHE A 117 18.882 -82.981 -17.278 1.00 52.42 C ATOM 1751 CD2 PHE A 117 17.158 -82.879 -15.635 1.00 54.12 C ATOM 1752 CE1 PHE A 117 19.553 -83.917 -16.517 1.00 24.34 C ATOM 1753 CE2 PHE A 117 17.825 -83.815 -14.870 1.00 3.23 C ATOM 1754 CZ PHE A 117 19.024 -84.335 -15.311 1.00 43.44 C ATOM 0 H PHE A 117 17.867 -82.623 -19.688 1.00 5.24 H new ATOM 0 HA PHE A 117 15.277 -82.593 -18.363 1.00 2.31 H new ATOM 0 HB2 PHE A 117 17.679 -80.736 -18.113 1.00 64.33 H new ATOM 0 HB3 PHE A 117 16.314 -80.819 -17.017 1.00 64.33 H new ATOM 0 HD1 PHE A 117 19.301 -82.659 -18.220 1.00 52.42 H new ATOM 0 HD2 PHE A 117 16.220 -82.476 -15.284 1.00 54.12 H new ATOM 0 HE1 PHE A 117 20.492 -84.323 -16.864 1.00 24.34 H new ATOM 0 HE2 PHE A 117 17.409 -84.139 -13.928 1.00 3.23 H new ATOM 0 HZ PHE A 117 19.548 -85.067 -14.715 1.00 43.44 H new ATOM 1764 N GLU A 118 14.156 -80.835 -19.788 1.00 33.04 N ATOM 1765 CA GLU A 118 13.519 -79.734 -20.499 1.00 23.02 C ATOM 1766 C GLU A 118 12.063 -79.602 -20.084 1.00 63.02 C ATOM 1767 O GLU A 118 11.533 -80.449 -19.383 1.00 13.12 O ATOM 1768 CB GLU A 118 13.629 -79.925 -22.016 1.00 70.42 C ATOM 1769 CG GLU A 118 12.812 -81.083 -22.571 1.00 51.04 C ATOM 1770 CD GLU A 118 12.828 -81.110 -24.090 1.00 53.34 C ATOM 1771 OE1 GLU A 118 12.403 -80.110 -24.712 1.00 62.15 O ATOM 1772 OE2 GLU A 118 13.263 -82.124 -24.676 1.00 71.34 O ATOM 0 H GLU A 118 13.519 -81.555 -19.448 1.00 33.04 H new ATOM 0 HA GLU A 118 14.040 -78.814 -20.234 1.00 23.02 H new ATOM 0 HB2 GLU A 118 13.312 -79.006 -22.508 1.00 70.42 H new ATOM 0 HB3 GLU A 118 14.677 -80.080 -22.274 1.00 70.42 H new ATOM 0 HG2 GLU A 118 13.207 -82.023 -22.187 1.00 51.04 H new ATOM 0 HG3 GLU A 118 11.783 -81.003 -22.220 1.00 51.04 H new ATOM 1779 N ILE A 119 11.420 -78.522 -20.487 1.00 14.51 N ATOM 1780 CA ILE A 119 10.018 -78.337 -20.169 1.00 51.30 C ATOM 1781 C ILE A 119 9.158 -78.649 -21.386 1.00 62.21 C ATOM 1782 O ILE A 119 8.864 -77.774 -22.203 1.00 44.42 O ATOM 1783 CB ILE A 119 9.734 -76.915 -19.638 1.00 2.53 C ATOM 1784 CG1 ILE A 119 10.657 -76.609 -18.445 1.00 24.02 C ATOM 1785 CG2 ILE A 119 8.266 -76.773 -19.235 1.00 53.12 C ATOM 1786 CD1 ILE A 119 10.602 -77.651 -17.341 1.00 71.13 C ATOM 0 H ILE A 119 11.841 -77.768 -21.029 1.00 14.51 H new ATOM 0 HA ILE A 119 9.760 -79.033 -19.371 1.00 51.30 H new ATOM 0 HB ILE A 119 9.936 -76.196 -20.432 1.00 2.53 H new ATOM 0 HG12 ILE A 119 11.683 -76.528 -18.804 1.00 24.02 H new ATOM 0 HG13 ILE A 119 10.387 -75.638 -18.029 1.00 24.02 H new ATOM 0 HG21 ILE A 119 8.087 -75.764 -18.864 1.00 53.12 H new ATOM 0 HG22 ILE A 119 7.631 -76.959 -20.101 1.00 53.12 H new ATOM 0 HG23 ILE A 119 8.032 -77.495 -18.452 1.00 53.12 H new ATOM 0 HD11 ILE A 119 11.279 -77.365 -16.536 1.00 71.13 H new ATOM 0 HD12 ILE A 119 9.585 -77.717 -16.953 1.00 71.13 H new ATOM 0 HD13 ILE A 119 10.902 -78.620 -17.740 1.00 71.13 H new ATOM 1798 N ARG A 120 8.829 -79.929 -21.522 1.00 2.03 N ATOM 1799 CA ARG A 120 7.937 -80.409 -22.572 1.00 61.44 C ATOM 1800 C ARG A 120 6.492 -80.321 -22.101 1.00 32.31 C ATOM 1801 O ARG A 120 6.208 -80.529 -20.923 1.00 1.25 O ATOM 1802 CB ARG A 120 8.287 -81.858 -22.950 1.00 4.12 C ATOM 1803 CG ARG A 120 9.431 -81.980 -23.950 1.00 2.23 C ATOM 1804 CD ARG A 120 9.694 -83.434 -24.323 1.00 30.01 C ATOM 1805 NE ARG A 120 10.756 -83.573 -25.324 1.00 3.51 N ATOM 1806 CZ ARG A 120 10.735 -84.467 -26.317 1.00 12.41 C ATOM 1807 NH1 ARG A 120 9.690 -85.276 -26.464 1.00 3.32 N ATOM 1808 NH2 ARG A 120 11.747 -84.539 -27.171 1.00 2.32 N ATOM 0 H ARG A 120 9.174 -80.665 -20.906 1.00 2.03 H new ATOM 0 HA ARG A 120 8.061 -79.783 -23.455 1.00 61.44 H new ATOM 0 HB2 ARG A 120 8.550 -82.405 -22.045 1.00 4.12 H new ATOM 0 HB3 ARG A 120 7.401 -82.338 -23.367 1.00 4.12 H new ATOM 0 HG2 ARG A 120 9.193 -81.410 -24.848 1.00 2.23 H new ATOM 0 HG3 ARG A 120 10.335 -81.543 -23.526 1.00 2.23 H new ATOM 0 HD2 ARG A 120 9.968 -83.992 -23.427 1.00 30.01 H new ATOM 0 HD3 ARG A 120 8.776 -83.879 -24.707 1.00 30.01 H new ATOM 0 HE ARG A 120 11.560 -82.949 -25.258 1.00 3.51 H new ATOM 0 HH11 ARG A 120 8.903 -85.215 -25.818 1.00 3.32 H new ATOM 0 HH12 ARG A 120 9.676 -85.958 -27.223 1.00 3.32 H new ATOM 0 HH21 ARG A 120 12.544 -83.911 -27.071 1.00 2.32 H new ATOM 0 HH22 ARG A 120 11.728 -85.223 -27.928 1.00 2.32 H new ATOM 1822 N ARG A 121 5.590 -80.000 -23.021 1.00 14.01 N ATOM 1823 CA ARG A 121 4.169 -79.885 -22.706 1.00 75.33 C ATOM 1824 C ARG A 121 3.343 -80.586 -23.778 1.00 64.21 C ATOM 1825 O ARG A 121 3.455 -80.196 -24.964 1.00 51.44 O ATOM 1826 CB ARG A 121 3.747 -78.411 -22.589 1.00 72.42 C ATOM 1827 CG ARG A 121 4.519 -77.630 -21.529 1.00 14.51 C ATOM 1828 CD ARG A 121 3.887 -76.272 -21.260 1.00 12.45 C ATOM 1829 NE ARG A 121 2.519 -76.410 -20.756 1.00 4.53 N ATOM 1830 CZ ARG A 121 1.744 -75.390 -20.395 1.00 42.14 C ATOM 1831 NH1 ARG A 121 2.179 -74.142 -20.498 1.00 1.44 N ATOM 1832 NH2 ARG A 121 0.525 -75.622 -19.935 1.00 65.01 N ATOM 1833 OXT ARG A 121 2.594 -81.525 -23.438 1.00 0.00 O ATOM 0 H ARG A 121 5.818 -79.813 -23.997 1.00 14.01 H new ATOM 0 HA ARG A 121 3.990 -80.364 -21.744 1.00 75.33 H new ATOM 0 HB2 ARG A 121 3.884 -77.926 -23.555 1.00 72.42 H new ATOM 0 HB3 ARG A 121 2.683 -78.365 -22.357 1.00 72.42 H new ATOM 0 HG2 ARG A 121 4.552 -78.206 -20.604 1.00 14.51 H new ATOM 0 HG3 ARG A 121 5.550 -77.494 -21.856 1.00 14.51 H new ATOM 0 HD2 ARG A 121 4.490 -75.725 -20.535 1.00 12.45 H new ATOM 0 HD3 ARG A 121 3.881 -75.684 -22.178 1.00 12.45 H new ATOM 0 HE ARG A 121 2.134 -77.351 -20.676 1.00 4.53 H new ATOM 0 HH11 ARG A 121 3.116 -73.956 -20.857 1.00 1.44 H new ATOM 0 HH12 ARG A 121 1.577 -73.367 -20.219 1.00 1.44 H new ATOM 0 HH21 ARG A 121 0.183 -76.580 -19.858 1.00 65.01 H new ATOM 0 HH22 ARG A 121 -0.072 -74.843 -19.657 1.00 65.01 H new TER 1847 ARG A 121