USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 765 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 79 GLN : amide:sc= -0.337 K(o=-2.6,f=-3.5) USER MOD Set 1.2: A 80 ASN : amide:sc= -2.22! C(o=-2.6!,f=-6.1!) USER MOD Set 2.1: A 58 THR OG1 : rot -73:sc= 0.5 USER MOD Set 2.2: A 61 GLN : amide:sc= 0.331 K(o=0.83,f=-3.5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -123:sc= 0.0831 (180deg=-0.12) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HE2:sc= 0.443 K(o=0.44,f=-2.3!) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc=-0.00741 X(o=-0.0074,f=-0.023) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.236 X(o=-0.24,f=-0.22) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -130:sc= -0.523 (180deg=-2.43!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= -0.19 USER MOD Single : A 31 MET CE :methyl -161:sc= -0.145 (180deg=-0.661) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -108:sc= 0.794 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 1.2 K(o=1.2,f=-0.0037) USER MOD Single : A 49 ASN : amide:sc= -0.237 X(o=-0.24,f=-0.4) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 75 LYS NZ :NH3+ -115:sc= 1.03 (180deg=-0.737) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0169) USER MOD Single : A 85 LYS NZ :NH3+ -170:sc= -0.0326 (180deg=-0.174) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.988 -43.436 5.625 1.00 3.54 N ATOM 2 CA MET A 1 2.840 -43.139 7.079 1.00 22.20 C ATOM 3 C MET A 1 4.209 -43.045 7.772 1.00 13.40 C ATOM 4 O MET A 1 5.245 -43.304 7.157 1.00 51.14 O ATOM 5 CB MET A 1 1.968 -44.209 7.757 1.00 22.41 C ATOM 6 CG MET A 1 0.530 -44.232 7.253 1.00 41.25 C ATOM 7 SD MET A 1 -0.486 -45.468 8.085 1.00 53.12 S ATOM 8 CE MET A 1 -2.087 -45.138 7.349 1.00 13.02 C ATOM 0 H1 MET A 1 2.518 -42.693 5.069 1.00 3.54 H new ATOM 0 H2 MET A 1 3.998 -43.467 5.378 1.00 3.54 H new ATOM 0 H3 MET A 1 2.551 -44.356 5.412 1.00 3.54 H new ATOM 0 HA MET A 1 2.349 -42.171 7.176 1.00 22.20 H new ATOM 0 HB2 MET A 1 2.417 -45.189 7.594 1.00 22.41 H new ATOM 0 HB3 MET A 1 1.965 -44.035 8.833 1.00 22.41 H new ATOM 0 HG2 MET A 1 0.085 -43.247 7.395 1.00 41.25 H new ATOM 0 HG3 MET A 1 0.529 -44.430 6.181 1.00 41.25 H new ATOM 0 HE1 MET A 1 -2.826 -45.824 7.763 1.00 13.02 H new ATOM 0 HE2 MET A 1 -2.383 -44.112 7.566 1.00 13.02 H new ATOM 0 HE3 MET A 1 -2.027 -45.277 6.270 1.00 13.02 H new ATOM 20 N GLY A 2 4.206 -42.675 9.053 1.00 12.31 N ATOM 21 CA GLY A 2 5.456 -42.459 9.781 1.00 21.44 C ATOM 22 C GLY A 2 5.967 -41.020 9.668 1.00 52.31 C ATOM 23 O GLY A 2 5.774 -40.361 8.643 1.00 23.51 O ATOM 0 H GLY A 2 3.361 -42.520 9.603 1.00 12.31 H new ATOM 0 HA2 GLY A 2 5.306 -42.705 10.832 1.00 21.44 H new ATOM 0 HA3 GLY A 2 6.216 -43.141 9.399 1.00 21.44 H new ATOM 27 N HIS A 3 6.622 -40.526 10.717 1.00 11.11 N ATOM 28 CA HIS A 3 7.133 -39.147 10.741 1.00 74.42 C ATOM 29 C HIS A 3 8.671 -39.111 10.712 1.00 1.33 C ATOM 30 O HIS A 3 9.327 -39.410 11.711 1.00 62.51 O ATOM 31 CB HIS A 3 6.623 -38.419 11.992 1.00 23.25 C ATOM 32 CG HIS A 3 5.130 -38.333 12.071 1.00 24.44 C ATOM 33 ND1 HIS A 3 4.362 -39.211 12.800 1.00 71.42 N ATOM 34 CD2 HIS A 3 4.264 -37.456 11.511 1.00 63.31 C ATOM 35 CE1 HIS A 3 3.093 -38.884 12.686 1.00 23.41 C ATOM 36 NE2 HIS A 3 3.004 -37.823 11.914 1.00 73.25 N ATOM 0 H HIS A 3 6.814 -41.058 11.566 1.00 11.11 H new ATOM 0 HA HIS A 3 6.766 -38.643 9.847 1.00 74.42 H new ATOM 0 HB2 HIS A 3 6.996 -38.933 12.878 1.00 23.25 H new ATOM 0 HB3 HIS A 3 7.038 -37.411 12.010 1.00 23.25 H new ATOM 0 HD2 HIS A 3 4.516 -36.625 10.869 1.00 63.31 H new ATOM 0 HE1 HIS A 3 2.264 -39.400 13.148 1.00 23.41 H new ATOM 0 HE2 HIS A 3 2.138 -37.349 11.656 1.00 73.25 H new ATOM 45 N HIS A 4 9.244 -38.742 9.565 1.00 61.13 N ATOM 46 CA HIS A 4 10.703 -38.602 9.444 1.00 23.25 C ATOM 47 C HIS A 4 11.202 -37.339 10.175 1.00 4.44 C ATOM 48 O HIS A 4 10.423 -36.635 10.824 1.00 45.33 O ATOM 49 CB HIS A 4 11.130 -38.572 7.966 1.00 11.44 C ATOM 50 CG HIS A 4 10.676 -37.360 7.202 1.00 31.23 C ATOM 51 ND1 HIS A 4 11.444 -36.223 7.067 1.00 34.24 N ATOM 52 CD2 HIS A 4 9.536 -37.118 6.508 1.00 5.34 C ATOM 53 CE1 HIS A 4 10.799 -35.340 6.332 1.00 52.22 C ATOM 54 NE2 HIS A 4 9.641 -35.857 5.975 1.00 1.23 N ATOM 0 H HIS A 4 8.728 -38.535 8.710 1.00 61.13 H new ATOM 0 HA HIS A 4 11.160 -39.471 9.917 1.00 23.25 H new ATOM 0 HB2 HIS A 4 12.217 -38.629 7.916 1.00 11.44 H new ATOM 0 HB3 HIS A 4 10.741 -39.462 7.472 1.00 11.44 H new ATOM 0 HD1 HIS A 4 12.369 -36.086 7.474 1.00 34.24 H new ATOM 0 HD2 HIS A 4 8.700 -37.793 6.395 1.00 5.34 H new ATOM 0 HE1 HIS A 4 11.159 -34.357 6.067 1.00 52.22 H new ATOM 63 N HIS A 5 12.497 -37.051 10.071 1.00 13.43 N ATOM 64 CA HIS A 5 13.077 -35.879 10.740 1.00 20.33 C ATOM 65 C HIS A 5 12.953 -34.611 9.877 1.00 63.31 C ATOM 66 O HIS A 5 13.068 -34.664 8.653 1.00 51.03 O ATOM 67 CB HIS A 5 14.544 -36.145 11.099 1.00 22.11 C ATOM 68 CG HIS A 5 14.711 -37.196 12.155 1.00 72.22 C ATOM 69 ND1 HIS A 5 15.343 -38.401 11.936 1.00 54.33 N ATOM 70 CD2 HIS A 5 14.323 -37.215 13.453 1.00 31.35 C ATOM 71 CE1 HIS A 5 15.333 -39.112 13.046 1.00 10.42 C ATOM 72 NE2 HIS A 5 14.722 -38.415 13.980 1.00 34.32 N ATOM 0 H HIS A 5 13.164 -37.606 9.535 1.00 13.43 H new ATOM 0 HA HIS A 5 12.513 -35.706 11.657 1.00 20.33 H new ATOM 0 HB2 HIS A 5 15.081 -36.452 10.202 1.00 22.11 H new ATOM 0 HB3 HIS A 5 15.001 -35.217 11.443 1.00 22.11 H new ATOM 0 HD2 HIS A 5 13.797 -36.430 13.975 1.00 31.35 H new ATOM 0 HE1 HIS A 5 15.755 -40.099 13.168 1.00 10.42 H new ATOM 0 HE2 HIS A 5 14.570 -38.719 14.942 1.00 34.32 H new ATOM 81 N HIS A 6 12.709 -33.476 10.532 1.00 34.44 N ATOM 82 CA HIS A 6 12.547 -32.190 9.839 1.00 33.43 C ATOM 83 C HIS A 6 13.288 -31.063 10.575 1.00 33.11 C ATOM 84 O HIS A 6 12.946 -30.713 11.705 1.00 31.03 O ATOM 85 CB HIS A 6 11.052 -31.859 9.682 1.00 32.25 C ATOM 86 CG HIS A 6 10.233 -32.119 10.914 1.00 71.35 C ATOM 87 ND1 HIS A 6 9.588 -33.315 11.145 1.00 3.24 N ATOM 88 CD2 HIS A 6 9.948 -31.334 11.984 1.00 74.25 C ATOM 89 CE1 HIS A 6 8.945 -33.259 12.293 1.00 14.41 C ATOM 90 NE2 HIS A 6 9.146 -32.071 12.825 1.00 23.52 N ATOM 0 H HIS A 6 12.618 -33.417 11.546 1.00 34.44 H new ATOM 0 HA HIS A 6 12.990 -32.276 8.847 1.00 33.43 H new ATOM 0 HB2 HIS A 6 10.950 -30.809 9.406 1.00 32.25 H new ATOM 0 HB3 HIS A 6 10.646 -32.446 8.858 1.00 32.25 H new ATOM 0 HD2 HIS A 6 10.287 -30.321 12.145 1.00 74.25 H new ATOM 0 HE1 HIS A 6 8.353 -34.053 12.725 1.00 14.41 H new ATOM 0 HE2 HIS A 6 8.768 -31.749 13.716 1.00 23.52 H new ATOM 99 N HIS A 7 14.305 -30.502 9.924 1.00 22.44 N ATOM 100 CA HIS A 7 15.140 -29.452 10.528 1.00 72.51 C ATOM 101 C HIS A 7 14.699 -28.046 10.098 1.00 63.20 C ATOM 102 O HIS A 7 14.406 -27.803 8.928 1.00 63.41 O ATOM 103 CB HIS A 7 16.610 -29.655 10.145 1.00 3.42 C ATOM 104 CG HIS A 7 17.187 -30.951 10.622 1.00 21.34 C ATOM 105 ND1 HIS A 7 17.264 -32.078 9.833 1.00 51.14 N ATOM 106 CD2 HIS A 7 17.723 -31.296 11.816 1.00 13.14 C ATOM 107 CE1 HIS A 7 17.822 -33.055 10.517 1.00 63.23 C ATOM 108 NE2 HIS A 7 18.110 -32.609 11.720 1.00 74.33 N ATOM 0 H HIS A 7 14.576 -30.755 8.974 1.00 22.44 H new ATOM 0 HA HIS A 7 15.020 -29.532 11.608 1.00 72.51 H new ATOM 0 HB2 HIS A 7 16.703 -29.604 9.060 1.00 3.42 H new ATOM 0 HB3 HIS A 7 17.199 -28.834 10.554 1.00 3.42 H new ATOM 0 HD2 HIS A 7 17.827 -30.658 12.681 1.00 13.14 H new ATOM 0 HE1 HIS A 7 18.011 -34.054 10.152 1.00 63.23 H new ATOM 0 HE2 HIS A 7 18.550 -33.152 12.463 1.00 74.33 H new ATOM 117 N HIS A 8 14.654 -27.126 11.058 1.00 52.11 N ATOM 118 CA HIS A 8 14.391 -25.710 10.776 1.00 52.03 C ATOM 119 C HIS A 8 15.373 -24.808 11.534 1.00 41.42 C ATOM 120 O HIS A 8 15.888 -25.183 12.591 1.00 13.01 O ATOM 121 CB HIS A 8 12.943 -25.342 11.127 1.00 65.34 C ATOM 122 CG HIS A 8 11.944 -25.895 10.157 1.00 10.14 C ATOM 123 ND1 HIS A 8 11.650 -25.283 8.962 1.00 2.43 N ATOM 124 CD2 HIS A 8 11.180 -27.015 10.200 1.00 64.42 C ATOM 125 CE1 HIS A 8 10.754 -25.992 8.311 1.00 52.11 C ATOM 126 NE2 HIS A 8 10.453 -27.048 9.036 1.00 14.32 N ATOM 0 H HIS A 8 14.797 -27.334 12.046 1.00 52.11 H new ATOM 0 HA HIS A 8 14.536 -25.550 9.708 1.00 52.03 H new ATOM 0 HB2 HIS A 8 12.713 -25.711 12.126 1.00 65.34 H new ATOM 0 HB3 HIS A 8 12.848 -24.257 11.158 1.00 65.34 H new ATOM 0 HD2 HIS A 8 11.149 -27.742 10.998 1.00 64.42 H new ATOM 0 HE1 HIS A 8 10.336 -25.749 7.345 1.00 52.11 H new ATOM 0 HE2 HIS A 8 9.786 -27.775 8.775 1.00 14.32 H new ATOM 135 N SER A 9 15.629 -23.625 10.987 1.00 3.23 N ATOM 136 CA SER A 9 16.601 -22.695 11.568 1.00 4.33 C ATOM 137 C SER A 9 16.152 -22.187 12.948 1.00 70.21 C ATOM 138 O SER A 9 14.966 -21.941 13.181 1.00 3.03 O ATOM 139 CB SER A 9 16.832 -21.517 10.613 1.00 44.14 C ATOM 140 OG SER A 9 17.309 -21.975 9.355 1.00 61.25 O ATOM 0 H SER A 9 15.177 -23.283 10.139 1.00 3.23 H new ATOM 0 HA SER A 9 17.537 -23.235 11.709 1.00 4.33 H new ATOM 0 HB2 SER A 9 15.902 -20.966 10.476 1.00 44.14 H new ATOM 0 HB3 SER A 9 17.551 -20.824 11.050 1.00 44.14 H new ATOM 0 HG SER A 9 17.448 -21.209 8.760 1.00 61.25 H new ATOM 146 N HIS A 10 17.112 -22.033 13.857 1.00 22.54 N ATOM 147 CA HIS A 10 16.827 -21.604 15.228 1.00 41.11 C ATOM 148 C HIS A 10 16.162 -20.214 15.258 1.00 15.11 C ATOM 149 O HIS A 10 16.691 -19.251 14.702 1.00 23.32 O ATOM 150 CB HIS A 10 18.125 -21.595 16.047 1.00 11.40 C ATOM 151 CG HIS A 10 17.925 -21.310 17.504 1.00 50.43 C ATOM 152 ND1 HIS A 10 18.275 -20.114 18.087 1.00 22.10 N ATOM 153 CD2 HIS A 10 17.425 -22.078 18.502 1.00 22.25 C ATOM 154 CE1 HIS A 10 18.003 -20.156 19.372 1.00 11.12 C ATOM 155 NE2 HIS A 10 17.486 -21.334 19.654 1.00 22.32 N ATOM 0 H HIS A 10 18.101 -22.200 13.669 1.00 22.54 H new ATOM 0 HA HIS A 10 16.126 -22.312 15.669 1.00 41.11 H new ATOM 0 HB2 HIS A 10 18.616 -22.562 15.941 1.00 11.40 H new ATOM 0 HB3 HIS A 10 18.800 -20.847 15.630 1.00 11.40 H new ATOM 0 HD2 HIS A 10 17.049 -23.086 18.409 1.00 22.25 H new ATOM 0 HE1 HIS A 10 18.175 -19.358 20.079 1.00 11.12 H new ATOM 0 HE2 HIS A 10 17.181 -21.643 20.577 1.00 22.32 H new ATOM 164 N MET A 11 14.996 -20.137 15.906 1.00 72.13 N ATOM 165 CA MET A 11 14.216 -18.894 16.019 1.00 72.11 C ATOM 166 C MET A 11 13.614 -18.436 14.675 1.00 51.21 C ATOM 167 O MET A 11 13.228 -17.277 14.523 1.00 61.00 O ATOM 168 CB MET A 11 15.053 -17.764 16.647 1.00 2.15 C ATOM 169 CG MET A 11 15.296 -17.943 18.139 1.00 13.02 C ATOM 170 SD MET A 11 16.172 -16.546 18.868 1.00 71.32 S ATOM 171 CE MET A 11 16.113 -16.968 20.610 1.00 63.10 C ATOM 0 H MET A 11 14.562 -20.935 16.369 1.00 72.13 H new ATOM 0 HA MET A 11 13.380 -19.122 16.680 1.00 72.11 H new ATOM 0 HB2 MET A 11 16.014 -17.707 16.135 1.00 2.15 H new ATOM 0 HB3 MET A 11 14.547 -16.813 16.481 1.00 2.15 H new ATOM 0 HG2 MET A 11 14.340 -18.073 18.646 1.00 13.02 H new ATOM 0 HG3 MET A 11 15.871 -18.854 18.303 1.00 13.02 H new ATOM 0 HE1 MET A 11 16.617 -16.194 21.189 1.00 63.10 H new ATOM 0 HE2 MET A 11 15.074 -17.043 20.931 1.00 63.10 H new ATOM 0 HE3 MET A 11 16.612 -17.924 20.770 1.00 63.10 H new ATOM 181 N ALA A 12 13.478 -19.359 13.721 1.00 51.54 N ATOM 182 CA ALA A 12 12.803 -19.062 12.446 1.00 13.23 C ATOM 183 C ALA A 12 11.268 -19.111 12.594 1.00 35.13 C ATOM 184 O ALA A 12 10.541 -19.329 11.619 1.00 52.32 O ATOM 185 CB ALA A 12 13.263 -20.043 11.373 1.00 2.41 C ATOM 0 H ALA A 12 13.823 -20.316 13.802 1.00 51.54 H new ATOM 0 HA ALA A 12 13.074 -18.049 12.148 1.00 13.23 H new ATOM 0 HB1 ALA A 12 12.759 -19.817 10.433 1.00 2.41 H new ATOM 0 HB2 ALA A 12 14.341 -19.955 11.237 1.00 2.41 H new ATOM 0 HB3 ALA A 12 13.018 -21.060 11.680 1.00 2.41 H new ATOM 191 N LYS A 13 10.784 -18.881 13.815 1.00 40.23 N ATOM 192 CA LYS A 13 9.354 -18.964 14.131 1.00 72.44 C ATOM 193 C LYS A 13 8.837 -17.625 14.701 1.00 44.30 C ATOM 194 O LYS A 13 8.936 -17.372 15.900 1.00 41.43 O ATOM 195 CB LYS A 13 9.118 -20.103 15.138 1.00 2.20 C ATOM 196 CG LYS A 13 9.601 -21.465 14.638 1.00 22.31 C ATOM 197 CD LYS A 13 9.576 -22.553 15.719 1.00 61.41 C ATOM 198 CE LYS A 13 8.162 -22.882 16.209 1.00 63.31 C ATOM 199 NZ LYS A 13 7.644 -21.884 17.185 1.00 31.34 N ATOM 0 H LYS A 13 11.369 -18.632 14.613 1.00 40.23 H new ATOM 0 HA LYS A 13 8.802 -19.172 13.214 1.00 72.44 H new ATOM 0 HB2 LYS A 13 9.629 -19.865 16.071 1.00 2.20 H new ATOM 0 HB3 LYS A 13 8.053 -20.164 15.364 1.00 2.20 H new ATOM 0 HG2 LYS A 13 8.977 -21.779 13.802 1.00 22.31 H new ATOM 0 HG3 LYS A 13 10.617 -21.365 14.257 1.00 22.31 H new ATOM 0 HD2 LYS A 13 10.037 -23.459 15.325 1.00 61.41 H new ATOM 0 HD3 LYS A 13 10.181 -22.229 16.566 1.00 61.41 H new ATOM 0 HE2 LYS A 13 7.488 -22.931 15.354 1.00 63.31 H new ATOM 0 HE3 LYS A 13 8.163 -23.869 16.671 1.00 63.31 H new ATOM 0 HZ1 LYS A 13 7.274 -22.377 18.022 1.00 31.34 H new ATOM 0 HZ2 LYS A 13 8.414 -21.246 17.471 1.00 31.34 H new ATOM 0 HZ3 LYS A 13 6.882 -21.331 16.744 1.00 31.34 H new ATOM 213 N PRO A 14 8.305 -16.739 13.836 1.00 34.11 N ATOM 214 CA PRO A 14 7.799 -15.422 14.248 1.00 42.03 C ATOM 215 C PRO A 14 6.300 -15.428 14.603 1.00 42.31 C ATOM 216 O PRO A 14 5.672 -16.484 14.695 1.00 31.13 O ATOM 217 CB PRO A 14 8.051 -14.595 12.988 1.00 2.14 C ATOM 218 CG PRO A 14 7.799 -15.553 11.865 1.00 52.12 C ATOM 219 CD PRO A 14 8.164 -16.933 12.379 1.00 33.40 C ATOM 0 HA PRO A 14 8.279 -15.051 15.153 1.00 42.03 H new ATOM 0 HB2 PRO A 14 7.383 -13.735 12.936 1.00 2.14 H new ATOM 0 HB3 PRO A 14 9.070 -14.209 12.962 1.00 2.14 H new ATOM 0 HG2 PRO A 14 6.755 -15.519 11.555 1.00 52.12 H new ATOM 0 HG3 PRO A 14 8.399 -15.294 10.993 1.00 52.12 H new ATOM 0 HD2 PRO A 14 7.390 -17.665 12.146 1.00 33.40 H new ATOM 0 HD3 PRO A 14 9.090 -17.295 11.932 1.00 33.40 H new ATOM 227 N THR A 15 5.730 -14.240 14.804 1.00 71.30 N ATOM 228 CA THR A 15 4.290 -14.105 15.075 1.00 74.22 C ATOM 229 C THR A 15 3.632 -13.071 14.145 1.00 73.34 C ATOM 230 O THR A 15 4.110 -11.942 14.011 1.00 61.55 O ATOM 231 CB THR A 15 4.009 -13.719 16.550 1.00 75.15 C ATOM 232 OG1 THR A 15 2.609 -13.449 16.734 1.00 33.44 O ATOM 233 CG2 THR A 15 4.828 -12.507 16.980 1.00 53.15 C ATOM 0 H THR A 15 6.238 -13.356 14.785 1.00 71.30 H new ATOM 0 HA THR A 15 3.853 -15.085 14.883 1.00 74.22 H new ATOM 0 HB THR A 15 4.303 -14.564 17.173 1.00 75.15 H new ATOM 0 HG1 THR A 15 2.442 -13.208 17.669 1.00 33.44 H new ATOM 0 HG21 THR A 15 4.604 -12.267 18.019 1.00 53.15 H new ATOM 0 HG22 THR A 15 5.890 -12.731 16.880 1.00 53.15 H new ATOM 0 HG23 THR A 15 4.576 -11.655 16.348 1.00 53.15 H new ATOM 241 N ALA A 16 2.528 -13.466 13.511 1.00 20.13 N ATOM 242 CA ALA A 16 1.820 -12.604 12.554 1.00 31.21 C ATOM 243 C ALA A 16 0.776 -11.710 13.246 1.00 3.13 C ATOM 244 O ALA A 16 0.205 -12.082 14.274 1.00 15.21 O ATOM 245 CB ALA A 16 1.159 -13.456 11.476 1.00 53.03 C ATOM 0 H ALA A 16 2.100 -14.382 13.642 1.00 20.13 H new ATOM 0 HA ALA A 16 2.556 -11.945 12.094 1.00 31.21 H new ATOM 0 HB1 ALA A 16 0.636 -12.810 10.771 1.00 53.03 H new ATOM 0 HB2 ALA A 16 1.921 -14.029 10.947 1.00 53.03 H new ATOM 0 HB3 ALA A 16 0.447 -14.139 11.938 1.00 53.03 H new ATOM 251 N ARG A 17 0.515 -10.541 12.662 1.00 54.21 N ATOM 252 CA ARG A 17 -0.415 -9.570 13.246 1.00 63.41 C ATOM 253 C ARG A 17 -1.040 -8.678 12.164 1.00 1.13 C ATOM 254 O ARG A 17 -0.551 -8.626 11.034 1.00 43.14 O ATOM 255 CB ARG A 17 0.326 -8.711 14.280 1.00 35.55 C ATOM 256 CG ARG A 17 1.347 -7.748 13.669 1.00 53.11 C ATOM 257 CD ARG A 17 2.486 -7.438 14.632 1.00 23.32 C ATOM 258 NE ARG A 17 3.358 -8.595 14.826 1.00 74.32 N ATOM 259 CZ ARG A 17 4.641 -8.589 14.595 1.00 22.02 C ATOM 260 NH1 ARG A 17 5.241 -7.503 14.221 1.00 51.42 N ATOM 261 NH2 ARG A 17 5.328 -9.672 14.745 1.00 11.32 N ATOM 0 H ARG A 17 0.935 -10.241 11.782 1.00 54.21 H new ATOM 0 HA ARG A 17 -1.223 -10.114 13.735 1.00 63.41 H new ATOM 0 HB2 ARG A 17 -0.404 -8.137 14.851 1.00 35.55 H new ATOM 0 HB3 ARG A 17 0.837 -9.368 14.984 1.00 35.55 H new ATOM 0 HG2 ARG A 17 1.753 -8.182 12.755 1.00 53.11 H new ATOM 0 HG3 ARG A 17 0.848 -6.821 13.387 1.00 53.11 H new ATOM 0 HD2 ARG A 17 3.070 -6.602 14.248 1.00 23.32 H new ATOM 0 HD3 ARG A 17 2.076 -7.126 15.593 1.00 23.32 H new ATOM 0 HE ARG A 17 2.937 -9.461 15.163 1.00 74.32 H new ATOM 0 HH11 ARG A 17 4.709 -6.641 14.104 1.00 51.42 H new ATOM 0 HH12 ARG A 17 6.245 -7.511 14.043 1.00 51.42 H new ATOM 0 HH21 ARG A 17 4.867 -10.531 15.044 1.00 11.32 H new ATOM 0 HH22 ARG A 17 6.332 -9.668 14.564 1.00 11.32 H new ATOM 275 N GLY A 18 -2.120 -7.985 12.516 1.00 23.01 N ATOM 276 CA GLY A 18 -2.784 -7.081 11.580 1.00 22.50 C ATOM 277 C GLY A 18 -4.302 -7.186 11.646 1.00 12.10 C ATOM 278 O GLY A 18 -4.885 -7.064 12.724 1.00 61.11 O ATOM 0 H GLY A 18 -2.553 -8.031 13.438 1.00 23.01 H new ATOM 0 HA2 GLY A 18 -2.484 -6.055 11.796 1.00 22.50 H new ATOM 0 HA3 GLY A 18 -2.451 -7.304 10.566 1.00 22.50 H new ATOM 282 N GLU A 19 -4.936 -7.403 10.494 1.00 51.12 N ATOM 283 CA GLU A 19 -6.392 -7.605 10.414 1.00 1.21 C ATOM 284 C GLU A 19 -7.177 -6.327 10.777 1.00 53.33 C ATOM 285 O GLU A 19 -7.411 -6.038 11.952 1.00 0.11 O ATOM 286 CB GLU A 19 -6.821 -8.777 11.322 1.00 72.20 C ATOM 287 CG GLU A 19 -8.327 -9.024 11.370 1.00 4.03 C ATOM 288 CD GLU A 19 -8.892 -9.533 10.056 1.00 54.13 C ATOM 289 OE1 GLU A 19 -9.209 -8.707 9.179 1.00 70.04 O ATOM 290 OE2 GLU A 19 -9.033 -10.766 9.902 1.00 53.04 O ATOM 0 H GLU A 19 -4.463 -7.445 9.591 1.00 51.12 H new ATOM 0 HA GLU A 19 -6.631 -7.848 9.379 1.00 1.21 H new ATOM 0 HB2 GLU A 19 -6.328 -9.686 10.978 1.00 72.20 H new ATOM 0 HB3 GLU A 19 -6.465 -8.585 12.334 1.00 72.20 H new ATOM 0 HG2 GLU A 19 -8.545 -9.747 12.156 1.00 4.03 H new ATOM 0 HG3 GLU A 19 -8.832 -8.097 11.640 1.00 4.03 H new ATOM 297 N ALA A 20 -7.552 -5.552 9.760 1.00 20.32 N ATOM 298 CA ALA A 20 -8.403 -4.367 9.955 1.00 45.33 C ATOM 299 C ALA A 20 -9.862 -4.649 9.556 1.00 53.11 C ATOM 300 O ALA A 20 -10.722 -3.764 9.624 1.00 44.34 O ATOM 301 CB ALA A 20 -7.851 -3.188 9.161 1.00 62.01 C ATOM 0 H ALA A 20 -7.283 -5.719 8.791 1.00 20.32 H new ATOM 0 HA ALA A 20 -8.394 -4.117 11.016 1.00 45.33 H new ATOM 0 HB1 ALA A 20 -8.488 -2.317 9.313 1.00 62.01 H new ATOM 0 HB2 ALA A 20 -6.840 -2.962 9.501 1.00 62.01 H new ATOM 0 HB3 ALA A 20 -7.829 -3.441 8.101 1.00 62.01 H new ATOM 307 N GLY A 21 -10.138 -5.888 9.150 1.00 75.23 N ATOM 308 CA GLY A 21 -11.479 -6.264 8.722 1.00 63.24 C ATOM 309 C GLY A 21 -11.919 -5.567 7.439 1.00 20.32 C ATOM 310 O GLY A 21 -12.790 -4.700 7.462 1.00 32.41 O ATOM 0 H GLY A 21 -9.453 -6.643 9.110 1.00 75.23 H new ATOM 0 HA2 GLY A 21 -11.516 -7.343 8.572 1.00 63.24 H new ATOM 0 HA3 GLY A 21 -12.186 -6.028 9.517 1.00 63.24 H new ATOM 314 N SER A 22 -11.318 -5.947 6.315 1.00 51.21 N ATOM 315 CA SER A 22 -11.635 -5.328 5.021 1.00 62.14 C ATOM 316 C SER A 22 -11.369 -6.284 3.849 1.00 2.43 C ATOM 317 O SER A 22 -10.925 -7.419 4.032 1.00 4.02 O ATOM 318 CB SER A 22 -10.815 -4.041 4.832 1.00 64.40 C ATOM 319 OG SER A 22 -11.076 -3.435 3.573 1.00 71.44 O ATOM 0 H SER A 22 -10.609 -6.679 6.269 1.00 51.21 H new ATOM 0 HA SER A 22 -12.699 -5.089 5.027 1.00 62.14 H new ATOM 0 HB2 SER A 22 -11.051 -3.338 5.631 1.00 64.40 H new ATOM 0 HB3 SER A 22 -9.753 -4.271 4.913 1.00 64.40 H new ATOM 0 HG SER A 22 -10.540 -2.619 3.485 1.00 71.44 H new ATOM 325 N ARG A 23 -11.647 -5.808 2.641 1.00 13.12 N ATOM 326 CA ARG A 23 -11.459 -6.597 1.423 1.00 34.34 C ATOM 327 C ARG A 23 -9.987 -6.589 0.979 1.00 1.40 C ATOM 328 O ARG A 23 -9.440 -7.611 0.553 1.00 22.43 O ATOM 329 CB ARG A 23 -12.357 -6.022 0.321 1.00 60.34 C ATOM 330 CG ARG A 23 -12.432 -6.867 -0.944 1.00 22.41 C ATOM 331 CD ARG A 23 -13.394 -6.254 -1.953 1.00 2.14 C ATOM 332 NE ARG A 23 -13.523 -7.064 -3.160 1.00 74.10 N ATOM 333 CZ ARG A 23 -14.043 -6.635 -4.278 1.00 61.04 C ATOM 334 NH1 ARG A 23 -14.443 -5.406 -4.396 1.00 34.42 N ATOM 335 NH2 ARG A 23 -14.135 -7.437 -5.287 1.00 4.12 N ATOM 0 H ARG A 23 -12.008 -4.868 2.475 1.00 13.12 H new ATOM 0 HA ARG A 23 -11.733 -7.633 1.620 1.00 34.34 H new ATOM 0 HB2 ARG A 23 -13.364 -5.898 0.719 1.00 60.34 H new ATOM 0 HB3 ARG A 23 -11.994 -5.029 0.057 1.00 60.34 H new ATOM 0 HG2 ARG A 23 -11.440 -6.953 -1.388 1.00 22.41 H new ATOM 0 HG3 ARG A 23 -12.757 -7.876 -0.693 1.00 22.41 H new ATOM 0 HD2 ARG A 23 -14.374 -6.136 -1.491 1.00 2.14 H new ATOM 0 HD3 ARG A 23 -13.047 -5.257 -2.223 1.00 2.14 H new ATOM 0 HE ARG A 23 -13.186 -8.026 -3.128 1.00 74.10 H new ATOM 0 HH11 ARG A 23 -14.353 -4.763 -3.610 1.00 34.42 H new ATOM 0 HH12 ARG A 23 -14.848 -5.084 -5.275 1.00 34.42 H new ATOM 0 HH21 ARG A 23 -13.803 -8.398 -5.207 1.00 4.12 H new ATOM 0 HH22 ARG A 23 -14.540 -7.109 -6.164 1.00 4.12 H new ATOM 349 N ASP A 24 -9.348 -5.428 1.100 1.00 52.13 N ATOM 350 CA ASP A 24 -7.960 -5.238 0.664 1.00 41.21 C ATOM 351 C ASP A 24 -6.966 -6.019 1.546 1.00 10.15 C ATOM 352 O ASP A 24 -5.929 -6.495 1.063 1.00 22.31 O ATOM 353 CB ASP A 24 -7.628 -3.743 0.685 1.00 45.13 C ATOM 354 CG ASP A 24 -8.742 -2.913 0.072 1.00 0.22 C ATOM 355 OD1 ASP A 24 -9.701 -2.574 0.797 1.00 70.21 O ATOM 356 OD2 ASP A 24 -8.681 -2.626 -1.141 1.00 14.14 O ATOM 0 H ASP A 24 -9.773 -4.592 1.501 1.00 52.13 H new ATOM 0 HA ASP A 24 -7.863 -5.628 -0.349 1.00 41.21 H new ATOM 0 HB2 ASP A 24 -7.458 -3.422 1.713 1.00 45.13 H new ATOM 0 HB3 ASP A 24 -6.701 -3.568 0.139 1.00 45.13 H new ATOM 361 N GLU A 25 -7.298 -6.152 2.834 1.00 32.41 N ATOM 362 CA GLU A 25 -6.446 -6.854 3.815 1.00 51.52 C ATOM 363 C GLU A 25 -5.973 -8.228 3.308 1.00 51.12 C ATOM 364 O GLU A 25 -4.826 -8.618 3.531 1.00 54.02 O ATOM 365 CB GLU A 25 -7.204 -7.040 5.144 1.00 55.03 C ATOM 366 CG GLU A 25 -7.578 -5.739 5.851 1.00 2.31 C ATOM 367 CD GLU A 25 -6.368 -4.946 6.321 1.00 12.45 C ATOM 368 OE1 GLU A 25 -5.858 -5.238 7.421 1.00 30.21 O ATOM 369 OE2 GLU A 25 -5.936 -4.026 5.592 1.00 22.44 O ATOM 0 H GLU A 25 -8.161 -5.780 3.231 1.00 32.41 H new ATOM 0 HA GLU A 25 -5.565 -6.231 3.967 1.00 51.52 H new ATOM 0 HB2 GLU A 25 -8.114 -7.608 4.951 1.00 55.03 H new ATOM 0 HB3 GLU A 25 -6.590 -7.640 5.816 1.00 55.03 H new ATOM 0 HG2 GLU A 25 -8.169 -5.122 5.174 1.00 2.31 H new ATOM 0 HG3 GLU A 25 -8.211 -5.967 6.709 1.00 2.31 H new ATOM 376 N ARG A 26 -6.857 -8.946 2.612 1.00 32.24 N ATOM 377 CA ARG A 26 -6.566 -10.310 2.141 1.00 23.23 C ATOM 378 C ARG A 26 -5.246 -10.404 1.355 1.00 12.12 C ATOM 379 O ARG A 26 -4.527 -11.401 1.458 1.00 70.14 O ATOM 380 CB ARG A 26 -7.725 -10.839 1.285 1.00 5.13 C ATOM 381 CG ARG A 26 -8.993 -11.129 2.082 1.00 2.35 C ATOM 382 CD ARG A 26 -10.075 -11.760 1.212 1.00 10.31 C ATOM 383 NE ARG A 26 -11.242 -12.161 1.992 1.00 44.33 N ATOM 384 CZ ARG A 26 -12.126 -13.035 1.598 1.00 43.22 C ATOM 385 NH1 ARG A 26 -12.003 -13.642 0.457 1.00 32.30 N ATOM 386 NH2 ARG A 26 -13.125 -13.325 2.363 1.00 33.42 N ATOM 0 H ARG A 26 -7.785 -8.607 2.359 1.00 32.24 H new ATOM 0 HA ARG A 26 -6.453 -10.929 3.031 1.00 23.23 H new ATOM 0 HB2 ARG A 26 -7.954 -10.110 0.508 1.00 5.13 H new ATOM 0 HB3 ARG A 26 -7.406 -11.752 0.782 1.00 5.13 H new ATOM 0 HG2 ARG A 26 -8.757 -11.797 2.911 1.00 2.35 H new ATOM 0 HG3 ARG A 26 -9.370 -10.203 2.516 1.00 2.35 H new ATOM 0 HD2 ARG A 26 -10.380 -11.051 0.442 1.00 10.31 H new ATOM 0 HD3 ARG A 26 -9.666 -12.630 0.699 1.00 10.31 H new ATOM 0 HE ARG A 26 -11.375 -11.729 2.906 1.00 44.33 H new ATOM 0 HH11 ARG A 26 -11.206 -13.438 -0.146 1.00 32.30 H new ATOM 0 HH12 ARG A 26 -12.703 -14.323 0.164 1.00 32.30 H new ATOM 0 HH21 ARG A 26 -13.220 -12.871 3.271 1.00 33.42 H new ATOM 0 HH22 ARG A 26 -13.819 -14.008 2.059 1.00 33.42 H new ATOM 400 N ARG A 27 -4.923 -9.371 0.577 1.00 34.30 N ATOM 401 CA ARG A 27 -3.658 -9.343 -0.171 1.00 74.11 C ATOM 402 C ARG A 27 -2.477 -8.979 0.738 1.00 24.53 C ATOM 403 O ARG A 27 -1.385 -9.533 0.604 1.00 32.10 O ATOM 404 CB ARG A 27 -3.742 -8.378 -1.370 1.00 43.43 C ATOM 405 CG ARG A 27 -4.241 -9.034 -2.659 1.00 50.54 C ATOM 406 CD ARG A 27 -5.714 -9.431 -2.595 1.00 22.45 C ATOM 407 NE ARG A 27 -6.595 -8.263 -2.569 1.00 40.51 N ATOM 408 CZ ARG A 27 -7.741 -8.187 -3.194 1.00 54.14 C ATOM 409 NH1 ARG A 27 -8.152 -9.163 -3.941 1.00 54.12 N ATOM 410 NH2 ARG A 27 -8.461 -7.117 -3.090 1.00 35.43 N ATOM 0 H ARG A 27 -5.511 -8.548 0.446 1.00 34.30 H new ATOM 0 HA ARG A 27 -3.485 -10.348 -0.556 1.00 74.11 H new ATOM 0 HB2 ARG A 27 -4.406 -7.552 -1.114 1.00 43.43 H new ATOM 0 HB3 ARG A 27 -2.756 -7.950 -1.550 1.00 43.43 H new ATOM 0 HG2 ARG A 27 -4.092 -8.346 -3.491 1.00 50.54 H new ATOM 0 HG3 ARG A 27 -3.640 -9.920 -2.865 1.00 50.54 H new ATOM 0 HD2 ARG A 27 -5.960 -10.052 -3.456 1.00 22.45 H new ATOM 0 HD3 ARG A 27 -5.888 -10.037 -1.706 1.00 22.45 H new ATOM 0 HE ARG A 27 -6.295 -7.453 -2.026 1.00 40.51 H new ATOM 0 HH11 ARG A 27 -7.580 -10.001 -4.046 1.00 54.12 H new ATOM 0 HH12 ARG A 27 -9.048 -9.093 -4.424 1.00 54.12 H new ATOM 0 HH21 ARG A 27 -8.134 -6.336 -2.522 1.00 35.43 H new ATOM 0 HH22 ARG A 27 -9.355 -7.055 -3.576 1.00 35.43 H new ATOM 424 N ALA A 28 -2.708 -8.069 1.680 1.00 13.22 N ATOM 425 CA ALA A 28 -1.655 -7.621 2.599 1.00 41.43 C ATOM 426 C ALA A 28 -1.135 -8.774 3.478 1.00 43.01 C ATOM 427 O ALA A 28 0.070 -9.019 3.558 1.00 0.45 O ATOM 428 CB ALA A 28 -2.174 -6.483 3.472 1.00 62.34 C ATOM 0 H ALA A 28 -3.614 -7.625 1.831 1.00 13.22 H new ATOM 0 HA ALA A 28 -0.818 -7.264 1.999 1.00 41.43 H new ATOM 0 HB1 ALA A 28 -1.386 -6.157 4.151 1.00 62.34 H new ATOM 0 HB2 ALA A 28 -2.477 -5.648 2.840 1.00 62.34 H new ATOM 0 HB3 ALA A 28 -3.031 -6.830 4.050 1.00 62.34 H new ATOM 434 N LEU A 29 -2.054 -9.493 4.120 1.00 54.35 N ATOM 435 CA LEU A 29 -1.686 -10.587 5.027 1.00 31.32 C ATOM 436 C LEU A 29 -1.159 -11.826 4.274 1.00 53.15 C ATOM 437 O LEU A 29 -0.426 -12.638 4.838 1.00 73.14 O ATOM 438 CB LEU A 29 -2.882 -10.952 5.931 1.00 64.35 C ATOM 439 CG LEU A 29 -4.209 -11.279 5.210 1.00 15.51 C ATOM 440 CD1 LEU A 29 -4.241 -12.722 4.705 1.00 71.32 C ATOM 441 CD2 LEU A 29 -5.399 -11.006 6.125 1.00 72.20 C ATOM 0 H LEU A 29 -3.059 -9.341 4.031 1.00 54.35 H new ATOM 0 HA LEU A 29 -0.865 -10.234 5.651 1.00 31.32 H new ATOM 0 HB2 LEU A 29 -2.602 -11.812 6.539 1.00 64.35 H new ATOM 0 HB3 LEU A 29 -3.060 -10.122 6.615 1.00 64.35 H new ATOM 0 HG LEU A 29 -4.277 -10.625 4.340 1.00 15.51 H new ATOM 0 HD11 LEU A 29 -5.191 -12.911 4.204 1.00 71.32 H new ATOM 0 HD12 LEU A 29 -3.423 -12.880 4.003 1.00 71.32 H new ATOM 0 HD13 LEU A 29 -4.133 -13.405 5.548 1.00 71.32 H new ATOM 0 HD21 LEU A 29 -6.324 -11.242 5.599 1.00 72.20 H new ATOM 0 HD22 LEU A 29 -5.321 -11.626 7.018 1.00 72.20 H new ATOM 0 HD23 LEU A 29 -5.403 -9.955 6.412 1.00 72.20 H new ATOM 453 N ALA A 30 -1.527 -11.966 2.999 1.00 54.42 N ATOM 454 CA ALA A 30 -1.091 -13.116 2.190 1.00 32.51 C ATOM 455 C ALA A 30 0.316 -12.906 1.601 1.00 51.24 C ATOM 456 O ALA A 30 1.008 -13.867 1.257 1.00 51.44 O ATOM 457 CB ALA A 30 -2.094 -13.386 1.074 1.00 51.50 C ATOM 0 H ALA A 30 -2.123 -11.303 2.502 1.00 54.42 H new ATOM 0 HA ALA A 30 -1.044 -13.982 2.851 1.00 32.51 H new ATOM 0 HB1 ALA A 30 -1.760 -14.239 0.483 1.00 51.50 H new ATOM 0 HB2 ALA A 30 -3.070 -13.605 1.507 1.00 51.50 H new ATOM 0 HB3 ALA A 30 -2.170 -12.508 0.433 1.00 51.50 H new ATOM 463 N MET A 31 0.724 -11.644 1.465 1.00 65.30 N ATOM 464 CA MET A 31 2.048 -11.307 0.918 1.00 11.55 C ATOM 465 C MET A 31 3.000 -10.771 2.006 1.00 2.33 C ATOM 466 O MET A 31 4.089 -10.286 1.699 1.00 0.25 O ATOM 467 CB MET A 31 1.897 -10.275 -0.208 1.00 14.31 C ATOM 468 CG MET A 31 1.046 -10.768 -1.373 1.00 53.33 C ATOM 469 SD MET A 31 1.751 -12.217 -2.183 1.00 43.22 S ATOM 470 CE MET A 31 3.315 -11.559 -2.763 1.00 60.14 C ATOM 0 H MET A 31 0.160 -10.835 1.725 1.00 65.30 H new ATOM 0 HA MET A 31 2.488 -12.222 0.521 1.00 11.55 H new ATOM 0 HB2 MET A 31 1.451 -9.367 0.199 1.00 14.31 H new ATOM 0 HB3 MET A 31 2.886 -10.006 -0.579 1.00 14.31 H new ATOM 0 HG2 MET A 31 0.046 -11.009 -1.011 1.00 53.33 H new ATOM 0 HG3 MET A 31 0.936 -9.966 -2.103 1.00 53.33 H new ATOM 0 HE1 MET A 31 3.709 -12.200 -3.552 1.00 60.14 H new ATOM 0 HE2 MET A 31 3.164 -10.553 -3.154 1.00 60.14 H new ATOM 0 HE3 MET A 31 4.024 -11.524 -1.936 1.00 60.14 H new ATOM 480 N LYS A 32 2.583 -10.880 3.269 1.00 4.13 N ATOM 481 CA LYS A 32 3.369 -10.390 4.417 1.00 53.45 C ATOM 482 C LYS A 32 3.669 -8.881 4.321 1.00 32.10 C ATOM 483 O LYS A 32 4.797 -8.472 4.051 1.00 70.33 O ATOM 484 CB LYS A 32 4.684 -11.177 4.579 1.00 73.45 C ATOM 485 CG LYS A 32 4.500 -12.655 4.913 1.00 70.41 C ATOM 486 CD LYS A 32 5.843 -13.324 5.212 1.00 52.20 C ATOM 487 CE LYS A 32 5.688 -14.803 5.542 1.00 34.44 C ATOM 488 NZ LYS A 32 6.992 -15.440 5.872 1.00 41.11 N ATOM 0 H LYS A 32 1.695 -11.308 3.531 1.00 4.13 H new ATOM 0 HA LYS A 32 2.751 -10.553 5.300 1.00 53.45 H new ATOM 0 HB2 LYS A 32 5.258 -11.095 3.656 1.00 73.45 H new ATOM 0 HB3 LYS A 32 5.277 -10.711 5.366 1.00 73.45 H new ATOM 0 HG2 LYS A 32 3.840 -12.757 5.774 1.00 70.41 H new ATOM 0 HG3 LYS A 32 4.016 -13.162 4.078 1.00 70.41 H new ATOM 0 HD2 LYS A 32 6.502 -13.213 4.351 1.00 52.20 H new ATOM 0 HD3 LYS A 32 6.322 -12.815 6.048 1.00 52.20 H new ATOM 0 HE2 LYS A 32 5.005 -14.917 6.384 1.00 34.44 H new ATOM 0 HE3 LYS A 32 5.237 -15.318 4.694 1.00 34.44 H new ATOM 0 HZ1 LYS A 32 6.842 -16.446 6.090 1.00 41.11 H new ATOM 0 HZ2 LYS A 32 7.636 -15.354 5.060 1.00 41.11 H new ATOM 0 HZ3 LYS A 32 7.411 -14.966 6.697 1.00 41.11 H new ATOM 502 N ILE A 33 2.646 -8.058 4.528 1.00 42.02 N ATOM 503 CA ILE A 33 2.825 -6.604 4.573 1.00 21.32 C ATOM 504 C ILE A 33 2.816 -6.103 6.034 1.00 25.53 C ATOM 505 O ILE A 33 1.766 -6.051 6.673 1.00 14.12 O ATOM 506 CB ILE A 33 1.724 -5.876 3.756 1.00 63.02 C ATOM 507 CG1 ILE A 33 1.749 -6.342 2.286 1.00 50.41 C ATOM 508 CG2 ILE A 33 1.894 -4.361 3.842 1.00 11.34 C ATOM 509 CD1 ILE A 33 3.055 -6.062 1.563 1.00 1.41 C ATOM 0 H ILE A 33 1.685 -8.369 4.667 1.00 42.02 H new ATOM 0 HA ILE A 33 3.791 -6.375 4.124 1.00 21.32 H new ATOM 0 HB ILE A 33 0.755 -6.132 4.185 1.00 63.02 H new ATOM 0 HG12 ILE A 33 1.552 -7.414 2.254 1.00 50.41 H new ATOM 0 HG13 ILE A 33 0.937 -5.852 1.748 1.00 50.41 H new ATOM 0 HG21 ILE A 33 1.111 -3.873 3.262 1.00 11.34 H new ATOM 0 HG22 ILE A 33 1.824 -4.046 4.883 1.00 11.34 H new ATOM 0 HG23 ILE A 33 2.869 -4.081 3.443 1.00 11.34 H new ATOM 0 HD11 ILE A 33 2.987 -6.421 0.536 1.00 1.41 H new ATOM 0 HD12 ILE A 33 3.246 -4.989 1.560 1.00 1.41 H new ATOM 0 HD13 ILE A 33 3.870 -6.575 2.073 1.00 1.41 H new ATOM 521 N PRO A 34 3.992 -5.732 6.583 1.00 53.23 N ATOM 522 CA PRO A 34 4.127 -5.343 8.007 1.00 23.12 C ATOM 523 C PRO A 34 3.621 -3.919 8.327 1.00 52.21 C ATOM 524 O PRO A 34 3.997 -3.334 9.346 1.00 33.20 O ATOM 525 CB PRO A 34 5.639 -5.440 8.233 1.00 4.12 C ATOM 526 CG PRO A 34 6.233 -5.108 6.906 1.00 23.31 C ATOM 527 CD PRO A 34 5.289 -5.672 5.873 1.00 22.43 C ATOM 0 HA PRO A 34 3.521 -5.978 8.653 1.00 23.12 H new ATOM 0 HB2 PRO A 34 5.971 -4.744 9.003 1.00 4.12 H new ATOM 0 HB3 PRO A 34 5.929 -6.439 8.560 1.00 4.12 H new ATOM 0 HG2 PRO A 34 6.343 -4.030 6.787 1.00 23.31 H new ATOM 0 HG3 PRO A 34 7.227 -5.543 6.804 1.00 23.31 H new ATOM 0 HD2 PRO A 34 5.234 -5.035 4.990 1.00 22.43 H new ATOM 0 HD3 PRO A 34 5.607 -6.658 5.535 1.00 22.43 H new ATOM 535 N PHE A 35 2.769 -3.373 7.466 1.00 1.44 N ATOM 536 CA PHE A 35 2.182 -2.045 7.683 1.00 31.34 C ATOM 537 C PHE A 35 0.748 -1.972 7.122 1.00 53.21 C ATOM 538 O PHE A 35 0.464 -2.494 6.044 1.00 60.34 O ATOM 539 CB PHE A 35 3.076 -0.945 7.077 1.00 42.24 C ATOM 540 CG PHE A 35 3.577 -1.235 5.680 1.00 0.32 C ATOM 541 CD1 PHE A 35 2.827 -0.886 4.567 1.00 43.42 C ATOM 542 CD2 PHE A 35 4.808 -1.851 5.483 1.00 34.53 C ATOM 543 CE1 PHE A 35 3.292 -1.147 3.291 1.00 11.40 C ATOM 544 CE2 PHE A 35 5.276 -2.110 4.211 1.00 61.42 C ATOM 545 CZ PHE A 35 4.517 -1.759 3.112 1.00 45.22 C ATOM 0 H PHE A 35 2.465 -3.828 6.605 1.00 1.44 H new ATOM 0 HA PHE A 35 2.123 -1.874 8.758 1.00 31.34 H new ATOM 0 HB2 PHE A 35 2.517 -0.010 7.061 1.00 42.24 H new ATOM 0 HB3 PHE A 35 3.934 -0.792 7.731 1.00 42.24 H new ATOM 0 HD1 PHE A 35 1.869 -0.405 4.698 1.00 43.42 H new ATOM 0 HD2 PHE A 35 5.406 -2.131 6.338 1.00 34.53 H new ATOM 0 HE1 PHE A 35 2.696 -0.872 2.433 1.00 11.40 H new ATOM 0 HE2 PHE A 35 6.235 -2.587 4.075 1.00 61.42 H new ATOM 0 HZ PHE A 35 4.880 -1.962 2.116 1.00 45.22 H new ATOM 555 N PRO A 36 -0.174 -1.312 7.854 1.00 31.14 N ATOM 556 CA PRO A 36 -1.607 -1.279 7.498 1.00 73.30 C ATOM 557 C PRO A 36 -1.894 -0.609 6.141 1.00 65.45 C ATOM 558 O PRO A 36 -1.278 0.401 5.788 1.00 54.21 O ATOM 559 CB PRO A 36 -2.242 -0.474 8.646 1.00 3.15 C ATOM 560 CG PRO A 36 -1.119 0.319 9.225 1.00 31.35 C ATOM 561 CD PRO A 36 0.104 -0.544 9.082 1.00 64.45 C ATOM 0 HA PRO A 36 -2.007 -2.287 7.384 1.00 73.30 H new ATOM 0 HB2 PRO A 36 -3.037 0.176 8.280 1.00 3.15 H new ATOM 0 HB3 PRO A 36 -2.686 -1.133 9.392 1.00 3.15 H new ATOM 0 HG2 PRO A 36 -0.995 1.265 8.698 1.00 31.35 H new ATOM 0 HG3 PRO A 36 -1.308 0.560 10.271 1.00 31.35 H new ATOM 0 HD2 PRO A 36 1.011 0.053 8.988 1.00 64.45 H new ATOM 0 HD3 PRO A 36 0.240 -1.197 9.944 1.00 64.45 H new ATOM 569 N THR A 37 -2.853 -1.170 5.398 1.00 50.53 N ATOM 570 CA THR A 37 -3.259 -0.626 4.090 1.00 52.43 C ATOM 571 C THR A 37 -3.638 0.861 4.177 1.00 73.33 C ATOM 572 O THR A 37 -3.407 1.626 3.239 1.00 11.43 O ATOM 573 CB THR A 37 -4.445 -1.416 3.484 1.00 22.31 C ATOM 574 OG1 THR A 37 -5.554 -1.426 4.398 1.00 51.21 O ATOM 575 CG2 THR A 37 -4.038 -2.853 3.157 1.00 24.41 C ATOM 0 H THR A 37 -3.367 -2.005 5.678 1.00 50.53 H new ATOM 0 HA THR A 37 -2.391 -0.730 3.439 1.00 52.43 H new ATOM 0 HB THR A 37 -4.741 -0.920 2.560 1.00 22.31 H new ATOM 0 HG1 THR A 37 -5.654 -2.322 4.781 1.00 51.21 H new ATOM 0 HG21 THR A 37 -4.890 -3.385 2.733 1.00 24.41 H new ATOM 0 HG22 THR A 37 -3.220 -2.845 2.436 1.00 24.41 H new ATOM 0 HG23 THR A 37 -3.714 -3.356 4.068 1.00 24.41 H new ATOM 583 N ASP A 38 -4.216 1.265 5.310 1.00 70.01 N ATOM 584 CA ASP A 38 -4.506 2.678 5.579 1.00 12.04 C ATOM 585 C ASP A 38 -3.265 3.556 5.362 1.00 3.11 C ATOM 586 O ASP A 38 -3.327 4.580 4.683 1.00 44.03 O ATOM 587 CB ASP A 38 -5.002 2.842 7.016 1.00 13.13 C ATOM 588 CG ASP A 38 -6.283 2.079 7.271 1.00 24.23 C ATOM 589 OD1 ASP A 38 -6.220 0.839 7.389 1.00 53.10 O ATOM 590 OD2 ASP A 38 -7.354 2.710 7.347 1.00 74.43 O ATOM 0 H ASP A 38 -4.494 0.632 6.060 1.00 70.01 H new ATOM 0 HA ASP A 38 -5.279 3.000 4.881 1.00 12.04 H new ATOM 0 HB2 ASP A 38 -4.232 2.496 7.706 1.00 13.13 H new ATOM 0 HB3 ASP A 38 -5.164 3.900 7.224 1.00 13.13 H new ATOM 595 N LYS A 39 -2.138 3.138 5.933 1.00 25.01 N ATOM 596 CA LYS A 39 -0.879 3.867 5.772 1.00 63.40 C ATOM 597 C LYS A 39 -0.480 3.954 4.289 1.00 31.05 C ATOM 598 O LYS A 39 -0.125 5.019 3.794 1.00 12.05 O ATOM 599 CB LYS A 39 0.230 3.187 6.592 1.00 12.44 C ATOM 600 CG LYS A 39 1.611 3.816 6.414 1.00 63.32 C ATOM 601 CD LYS A 39 2.654 3.206 7.351 1.00 60.25 C ATOM 602 CE LYS A 39 2.374 3.546 8.809 1.00 10.33 C ATOM 603 NZ LYS A 39 3.440 3.044 9.713 1.00 21.24 N ATOM 0 H LYS A 39 -2.069 2.300 6.511 1.00 25.01 H new ATOM 0 HA LYS A 39 -1.017 4.883 6.141 1.00 63.40 H new ATOM 0 HB2 LYS A 39 -0.040 3.222 7.647 1.00 12.44 H new ATOM 0 HB3 LYS A 39 0.282 2.135 6.311 1.00 12.44 H new ATOM 0 HG2 LYS A 39 1.935 3.688 5.381 1.00 63.32 H new ATOM 0 HG3 LYS A 39 1.545 4.889 6.597 1.00 63.32 H new ATOM 0 HD2 LYS A 39 2.665 2.123 7.226 1.00 60.25 H new ATOM 0 HD3 LYS A 39 3.645 3.569 7.077 1.00 60.25 H new ATOM 0 HE2 LYS A 39 2.285 4.627 8.918 1.00 10.33 H new ATOM 0 HE3 LYS A 39 1.417 3.116 9.104 1.00 10.33 H new ATOM 0 HZ1 LYS A 39 3.210 3.297 10.695 1.00 21.24 H new ATOM 0 HZ2 LYS A 39 3.508 2.010 9.629 1.00 21.24 H new ATOM 0 HZ3 LYS A 39 4.350 3.473 9.449 1.00 21.24 H new ATOM 617 N ILE A 40 -0.579 2.827 3.588 1.00 62.45 N ATOM 618 CA ILE A 40 -0.254 2.751 2.154 1.00 24.23 C ATOM 619 C ILE A 40 -0.998 3.822 1.328 1.00 12.14 C ATOM 620 O ILE A 40 -0.459 4.368 0.363 1.00 41.01 O ATOM 621 CB ILE A 40 -0.609 1.347 1.590 1.00 50.13 C ATOM 622 CG1 ILE A 40 0.153 0.252 2.353 1.00 3.12 C ATOM 623 CG2 ILE A 40 -0.321 1.262 0.091 1.00 71.14 C ATOM 624 CD1 ILE A 40 -0.179 -1.162 1.912 1.00 63.31 C ATOM 0 H ILE A 40 -0.885 1.941 3.990 1.00 62.45 H new ATOM 0 HA ILE A 40 0.817 2.933 2.067 1.00 24.23 H new ATOM 0 HB ILE A 40 -1.678 1.189 1.732 1.00 50.13 H new ATOM 0 HG12 ILE A 40 1.223 0.417 2.229 1.00 3.12 H new ATOM 0 HG13 ILE A 40 -0.064 0.349 3.417 1.00 3.12 H new ATOM 0 HG21 ILE A 40 -0.580 0.268 -0.273 1.00 71.14 H new ATOM 0 HG22 ILE A 40 -0.915 2.008 -0.437 1.00 71.14 H new ATOM 0 HG23 ILE A 40 0.738 1.450 -0.087 1.00 71.14 H new ATOM 0 HD11 ILE A 40 0.402 -1.872 2.500 1.00 63.31 H new ATOM 0 HD12 ILE A 40 -1.242 -1.350 2.062 1.00 63.31 H new ATOM 0 HD13 ILE A 40 0.065 -1.281 0.856 1.00 63.31 H new ATOM 636 N VAL A 41 -2.238 4.112 1.715 1.00 1.13 N ATOM 637 CA VAL A 41 -3.088 5.049 0.971 1.00 40.15 C ATOM 638 C VAL A 41 -2.965 6.498 1.483 1.00 4.33 C ATOM 639 O VAL A 41 -2.826 7.435 0.694 1.00 65.34 O ATOM 640 CB VAL A 41 -4.572 4.610 1.042 1.00 24.04 C ATOM 641 CG1 VAL A 41 -5.469 5.567 0.255 1.00 40.32 C ATOM 642 CG2 VAL A 41 -4.729 3.176 0.541 1.00 1.12 C ATOM 0 H VAL A 41 -2.681 3.712 2.542 1.00 1.13 H new ATOM 0 HA VAL A 41 -2.739 5.028 -0.061 1.00 40.15 H new ATOM 0 HB VAL A 41 -4.887 4.645 2.085 1.00 24.04 H new ATOM 0 HG11 VAL A 41 -6.505 5.234 0.323 1.00 40.32 H new ATOM 0 HG12 VAL A 41 -5.383 6.571 0.671 1.00 40.32 H new ATOM 0 HG13 VAL A 41 -5.160 5.579 -0.790 1.00 40.32 H new ATOM 0 HG21 VAL A 41 -5.777 2.884 0.598 1.00 1.12 H new ATOM 0 HG22 VAL A 41 -4.390 3.113 -0.493 1.00 1.12 H new ATOM 0 HG23 VAL A 41 -4.132 2.507 1.160 1.00 1.12 H new ATOM 652 N ASN A 42 -3.014 6.675 2.805 1.00 41.14 N ATOM 653 CA ASN A 42 -3.068 8.017 3.408 1.00 31.52 C ATOM 654 C ASN A 42 -1.703 8.732 3.446 1.00 54.50 C ATOM 655 O ASN A 42 -1.646 9.940 3.694 1.00 0.04 O ATOM 656 CB ASN A 42 -3.660 7.945 4.822 1.00 51.30 C ATOM 657 CG ASN A 42 -5.143 7.610 4.814 1.00 71.43 C ATOM 658 OD1 ASN A 42 -5.990 8.490 4.714 1.00 65.11 O ATOM 659 ND2 ASN A 42 -5.468 6.341 4.936 1.00 33.04 N ATOM 0 H ASN A 42 -3.018 5.911 3.481 1.00 41.14 H new ATOM 0 HA ASN A 42 -3.714 8.612 2.762 1.00 31.52 H new ATOM 0 HB2 ASN A 42 -3.124 7.192 5.399 1.00 51.30 H new ATOM 0 HB3 ASN A 42 -3.509 8.900 5.325 1.00 51.30 H new ATOM 0 HD21 ASN A 42 -6.450 6.065 4.949 1.00 33.04 H new ATOM 0 HD22 ASN A 42 -4.738 5.633 5.017 1.00 33.04 H new ATOM 666 N LEU A 43 -0.610 8.005 3.217 1.00 52.15 N ATOM 667 CA LEU A 43 0.724 8.625 3.178 1.00 4.23 C ATOM 668 C LEU A 43 0.871 9.599 1.998 1.00 31.23 C ATOM 669 O LEU A 43 0.291 9.394 0.926 1.00 11.53 O ATOM 670 CB LEU A 43 1.833 7.560 3.085 1.00 70.42 C ATOM 671 CG LEU A 43 2.210 6.864 4.403 1.00 12.13 C ATOM 672 CD1 LEU A 43 3.344 5.868 4.171 1.00 3.12 C ATOM 673 CD2 LEU A 43 2.598 7.886 5.470 1.00 64.31 C ATOM 0 H LEU A 43 -0.615 6.998 3.057 1.00 52.15 H new ATOM 0 HA LEU A 43 0.830 9.182 4.109 1.00 4.23 H new ATOM 0 HB2 LEU A 43 1.519 6.798 2.372 1.00 70.42 H new ATOM 0 HB3 LEU A 43 2.728 8.030 2.676 1.00 70.42 H new ATOM 0 HG LEU A 43 1.338 6.319 4.764 1.00 12.13 H new ATOM 0 HD11 LEU A 43 3.600 5.383 5.113 1.00 3.12 H new ATOM 0 HD12 LEU A 43 3.025 5.115 3.450 1.00 3.12 H new ATOM 0 HD13 LEU A 43 4.217 6.394 3.784 1.00 3.12 H new ATOM 0 HD21 LEU A 43 2.860 7.367 6.392 1.00 64.31 H new ATOM 0 HD22 LEU A 43 3.454 8.466 5.124 1.00 64.31 H new ATOM 0 HD23 LEU A 43 1.758 8.555 5.656 1.00 64.31 H new ATOM 685 N PRO A 44 1.634 10.693 2.188 1.00 10.10 N ATOM 686 CA PRO A 44 2.045 11.562 1.078 1.00 5.40 C ATOM 687 C PRO A 44 2.999 10.823 0.119 1.00 65.20 C ATOM 688 O PRO A 44 3.794 9.984 0.553 1.00 11.53 O ATOM 689 CB PRO A 44 2.747 12.736 1.779 1.00 3.24 C ATOM 690 CG PRO A 44 3.171 12.197 3.105 1.00 4.23 C ATOM 691 CD PRO A 44 2.133 11.180 3.492 1.00 72.34 C ATOM 0 HA PRO A 44 1.209 11.885 0.458 1.00 5.40 H new ATOM 0 HB2 PRO A 44 3.604 13.085 1.202 1.00 3.24 H new ATOM 0 HB3 PRO A 44 2.074 13.586 1.895 1.00 3.24 H new ATOM 0 HG2 PRO A 44 4.159 11.741 3.043 1.00 4.23 H new ATOM 0 HG3 PRO A 44 3.233 12.993 3.847 1.00 4.23 H new ATOM 0 HD2 PRO A 44 2.562 10.373 4.086 1.00 72.34 H new ATOM 0 HD3 PRO A 44 1.336 11.625 4.087 1.00 72.34 H new ATOM 699 N VAL A 45 2.925 11.144 -1.175 1.00 34.11 N ATOM 700 CA VAL A 45 3.655 10.393 -2.207 1.00 10.13 C ATOM 701 C VAL A 45 5.146 10.185 -1.860 1.00 60.44 C ATOM 702 O VAL A 45 5.701 9.112 -2.104 1.00 1.44 O ATOM 703 CB VAL A 45 3.527 11.071 -3.597 1.00 63.10 C ATOM 704 CG1 VAL A 45 4.133 12.472 -3.591 1.00 60.51 C ATOM 705 CG2 VAL A 45 4.161 10.204 -4.682 1.00 1.14 C ATOM 0 H VAL A 45 2.368 11.918 -1.536 1.00 34.11 H new ATOM 0 HA VAL A 45 3.188 9.409 -2.244 1.00 10.13 H new ATOM 0 HB VAL A 45 2.465 11.174 -3.821 1.00 63.10 H new ATOM 0 HG11 VAL A 45 4.027 12.919 -4.580 1.00 60.51 H new ATOM 0 HG12 VAL A 45 3.616 13.089 -2.856 1.00 60.51 H new ATOM 0 HG13 VAL A 45 5.190 12.410 -3.333 1.00 60.51 H new ATOM 0 HG21 VAL A 45 4.060 10.698 -5.648 1.00 1.14 H new ATOM 0 HG22 VAL A 45 5.218 10.057 -4.459 1.00 1.14 H new ATOM 0 HG23 VAL A 45 3.659 9.237 -4.715 1.00 1.14 H new ATOM 715 N ASP A 46 5.787 11.194 -1.273 1.00 3.03 N ATOM 716 CA ASP A 46 7.205 11.094 -0.910 1.00 31.25 C ATOM 717 C ASP A 46 7.448 10.032 0.173 1.00 62.43 C ATOM 718 O ASP A 46 8.283 9.140 -0.004 1.00 1.10 O ATOM 719 CB ASP A 46 7.740 12.453 -0.456 1.00 0.22 C ATOM 720 CG ASP A 46 7.745 13.462 -1.590 1.00 55.54 C ATOM 721 OD1 ASP A 46 8.614 13.351 -2.484 1.00 52.45 O ATOM 722 OD2 ASP A 46 6.874 14.355 -1.606 1.00 53.22 O ATOM 0 H ASP A 46 5.353 12.087 -1.038 1.00 3.03 H new ATOM 0 HA ASP A 46 7.747 10.780 -1.802 1.00 31.25 H new ATOM 0 HB2 ASP A 46 7.128 12.830 0.363 1.00 0.22 H new ATOM 0 HB3 ASP A 46 8.752 12.335 -0.070 1.00 0.22 H new ATOM 727 N ASP A 47 6.715 10.124 1.280 1.00 5.21 N ATOM 728 CA ASP A 47 6.831 9.146 2.369 1.00 3.22 C ATOM 729 C ASP A 47 6.411 7.739 1.910 1.00 52.15 C ATOM 730 O ASP A 47 6.838 6.734 2.485 1.00 11.34 O ATOM 731 CB ASP A 47 5.996 9.601 3.569 1.00 44.30 C ATOM 732 CG ASP A 47 6.561 10.861 4.206 1.00 30.23 C ATOM 733 OD1 ASP A 47 6.487 11.938 3.575 1.00 34.44 O ATOM 734 OD2 ASP A 47 7.095 10.778 5.334 1.00 12.40 O ATOM 0 H ASP A 47 6.034 10.864 1.450 1.00 5.21 H new ATOM 0 HA ASP A 47 7.878 9.089 2.668 1.00 3.22 H new ATOM 0 HB2 ASP A 47 4.970 9.784 3.249 1.00 44.30 H new ATOM 0 HB3 ASP A 47 5.961 8.803 4.311 1.00 44.30 H new ATOM 739 N PHE A 48 5.585 7.671 0.868 1.00 73.13 N ATOM 740 CA PHE A 48 5.221 6.391 0.253 1.00 52.32 C ATOM 741 C PHE A 48 6.449 5.733 -0.405 1.00 0.32 C ATOM 742 O PHE A 48 6.742 4.557 -0.167 1.00 42.42 O ATOM 743 CB PHE A 48 4.108 6.598 -0.784 1.00 42.31 C ATOM 744 CG PHE A 48 3.680 5.331 -1.480 1.00 33.13 C ATOM 745 CD1 PHE A 48 2.843 4.426 -0.843 1.00 41.40 C ATOM 746 CD2 PHE A 48 4.118 5.042 -2.766 1.00 21.05 C ATOM 747 CE1 PHE A 48 2.454 3.261 -1.474 1.00 22.30 C ATOM 748 CE2 PHE A 48 3.732 3.877 -3.399 1.00 13.52 C ATOM 749 CZ PHE A 48 2.896 2.986 -2.753 1.00 24.02 C ATOM 0 H PHE A 48 5.154 8.485 0.430 1.00 73.13 H new ATOM 0 HA PHE A 48 4.854 5.726 1.035 1.00 52.32 H new ATOM 0 HB2 PHE A 48 3.243 7.040 -0.291 1.00 42.31 H new ATOM 0 HB3 PHE A 48 4.449 7.314 -1.531 1.00 42.31 H new ATOM 0 HD1 PHE A 48 2.492 4.635 0.157 1.00 41.40 H new ATOM 0 HD2 PHE A 48 4.768 5.737 -3.277 1.00 21.05 H new ATOM 0 HE1 PHE A 48 1.803 2.564 -0.967 1.00 22.30 H new ATOM 0 HE2 PHE A 48 4.083 3.662 -4.398 1.00 13.52 H new ATOM 0 HZ PHE A 48 2.589 2.076 -3.248 1.00 24.02 H new ATOM 759 N ASN A 49 7.166 6.498 -1.236 1.00 44.32 N ATOM 760 CA ASN A 49 8.388 5.993 -1.881 1.00 63.41 C ATOM 761 C ASN A 49 9.457 5.631 -0.836 1.00 1.35 C ATOM 762 O ASN A 49 10.194 4.655 -0.999 1.00 32.44 O ATOM 763 CB ASN A 49 8.958 7.013 -2.877 1.00 4.50 C ATOM 764 CG ASN A 49 8.040 7.258 -4.062 1.00 60.04 C ATOM 765 OD1 ASN A 49 8.039 6.502 -5.028 1.00 12.12 O ATOM 766 ND2 ASN A 49 7.273 8.327 -4.019 1.00 42.54 N ATOM 0 H ASN A 49 6.926 7.460 -1.477 1.00 44.32 H new ATOM 0 HA ASN A 49 8.113 5.092 -2.429 1.00 63.41 H new ATOM 0 HB2 ASN A 49 9.137 7.956 -2.361 1.00 4.50 H new ATOM 0 HB3 ASN A 49 9.924 6.660 -3.239 1.00 4.50 H new ATOM 0 HD21 ASN A 49 6.657 8.544 -4.802 1.00 42.54 H new ATOM 0 HD22 ASN A 49 7.295 8.938 -3.202 1.00 42.54 H new ATOM 773 N GLU A 50 9.530 6.423 0.236 1.00 13.34 N ATOM 774 CA GLU A 50 10.434 6.130 1.355 1.00 73.12 C ATOM 775 C GLU A 50 10.092 4.775 1.994 1.00 40.33 C ATOM 776 O GLU A 50 10.970 3.949 2.235 1.00 50.10 O ATOM 777 CB GLU A 50 10.352 7.236 2.420 1.00 22.15 C ATOM 778 CG GLU A 50 10.843 8.608 1.950 1.00 64.54 C ATOM 779 CD GLU A 50 12.356 8.692 1.754 1.00 13.51 C ATOM 780 OE1 GLU A 50 13.053 7.662 1.886 1.00 74.01 O ATOM 781 OE2 GLU A 50 12.856 9.803 1.472 1.00 71.14 O ATOM 0 H GLU A 50 8.976 7.271 0.355 1.00 13.34 H new ATOM 0 HA GLU A 50 11.449 6.088 0.961 1.00 73.12 H new ATOM 0 HB2 GLU A 50 9.318 7.328 2.751 1.00 22.15 H new ATOM 0 HB3 GLU A 50 10.938 6.932 3.287 1.00 22.15 H new ATOM 0 HG2 GLU A 50 10.351 8.856 1.010 1.00 64.54 H new ATOM 0 HG3 GLU A 50 10.539 9.360 2.678 1.00 64.54 H new ATOM 788 N LEU A 51 8.804 4.556 2.251 1.00 43.34 N ATOM 789 CA LEU A 51 8.313 3.309 2.860 1.00 60.13 C ATOM 790 C LEU A 51 8.866 2.065 2.131 1.00 4.41 C ATOM 791 O LEU A 51 9.463 1.177 2.748 1.00 63.22 O ATOM 792 CB LEU A 51 6.775 3.311 2.824 1.00 31.15 C ATOM 793 CG LEU A 51 6.079 2.136 3.527 1.00 71.35 C ATOM 794 CD1 LEU A 51 6.406 2.123 5.016 1.00 41.44 C ATOM 795 CD2 LEU A 51 4.570 2.206 3.312 1.00 45.32 C ATOM 0 H LEU A 51 8.068 5.232 2.046 1.00 43.34 H new ATOM 0 HA LEU A 51 8.662 3.260 3.891 1.00 60.13 H new ATOM 0 HB2 LEU A 51 6.423 4.238 3.276 1.00 31.15 H new ATOM 0 HB3 LEU A 51 6.457 3.324 1.782 1.00 31.15 H new ATOM 0 HG LEU A 51 6.450 1.209 3.090 1.00 71.35 H new ATOM 0 HD11 LEU A 51 5.902 1.282 5.492 1.00 41.44 H new ATOM 0 HD12 LEU A 51 7.483 2.024 5.151 1.00 41.44 H new ATOM 0 HD13 LEU A 51 6.067 3.054 5.471 1.00 41.44 H new ATOM 0 HD21 LEU A 51 4.091 1.367 3.816 1.00 45.32 H new ATOM 0 HD22 LEU A 51 4.187 3.141 3.721 1.00 45.32 H new ATOM 0 HD23 LEU A 51 4.352 2.160 2.245 1.00 45.32 H new ATOM 807 N LEU A 52 8.687 2.031 0.808 1.00 44.42 N ATOM 808 CA LEU A 52 9.180 0.922 -0.022 1.00 2.22 C ATOM 809 C LEU A 52 10.719 0.869 -0.059 1.00 23.03 C ATOM 810 O LEU A 52 11.311 -0.186 -0.297 1.00 73.01 O ATOM 811 CB LEU A 52 8.634 1.053 -1.450 1.00 51.44 C ATOM 812 CG LEU A 52 7.103 1.014 -1.573 1.00 12.32 C ATOM 813 CD1 LEU A 52 6.676 1.235 -3.023 1.00 22.52 C ATOM 814 CD2 LEU A 52 6.558 -0.311 -1.044 1.00 64.25 C ATOM 0 H LEU A 52 8.203 2.760 0.284 1.00 44.42 H new ATOM 0 HA LEU A 52 8.825 -0.006 0.427 1.00 2.22 H new ATOM 0 HB2 LEU A 52 8.992 1.991 -1.874 1.00 51.44 H new ATOM 0 HB3 LEU A 52 9.051 0.249 -2.056 1.00 51.44 H new ATOM 0 HG LEU A 52 6.687 1.820 -0.969 1.00 12.32 H new ATOM 0 HD11 LEU A 52 5.589 1.204 -3.091 1.00 22.52 H new ATOM 0 HD12 LEU A 52 7.033 2.207 -3.363 1.00 22.52 H new ATOM 0 HD13 LEU A 52 7.101 0.452 -3.651 1.00 22.52 H new ATOM 0 HD21 LEU A 52 5.472 -0.322 -1.139 1.00 64.25 H new ATOM 0 HD22 LEU A 52 6.981 -1.134 -1.620 1.00 64.25 H new ATOM 0 HD23 LEU A 52 6.832 -0.424 0.005 1.00 64.25 H new ATOM 826 N ALA A 53 11.361 2.013 0.165 1.00 51.13 N ATOM 827 CA ALA A 53 12.825 2.093 0.167 1.00 72.20 C ATOM 828 C ALA A 53 13.416 1.768 1.550 1.00 44.11 C ATOM 829 O ALA A 53 14.622 1.548 1.681 1.00 24.43 O ATOM 830 CB ALA A 53 13.269 3.477 -0.294 1.00 21.33 C ATOM 0 H ALA A 53 10.892 2.900 0.348 1.00 51.13 H new ATOM 0 HA ALA A 53 13.203 1.343 -0.528 1.00 72.20 H new ATOM 0 HB1 ALA A 53 14.358 3.530 -0.290 1.00 21.33 H new ATOM 0 HB2 ALA A 53 12.900 3.660 -1.303 1.00 21.33 H new ATOM 0 HB3 ALA A 53 12.867 4.232 0.382 1.00 21.33 H new ATOM 836 N ARG A 54 12.570 1.749 2.579 1.00 35.33 N ATOM 837 CA ARG A 54 13.015 1.451 3.950 1.00 32.32 C ATOM 838 C ARG A 54 12.849 -0.038 4.296 1.00 43.40 C ATOM 839 O ARG A 54 13.769 -0.670 4.823 1.00 3.22 O ATOM 840 CB ARG A 54 12.245 2.310 4.965 1.00 31.41 C ATOM 841 CG ARG A 54 12.526 3.806 4.850 1.00 54.13 C ATOM 842 CD ARG A 54 11.989 4.572 6.053 1.00 71.52 C ATOM 843 NE ARG A 54 12.657 4.166 7.289 1.00 70.43 N ATOM 844 CZ ARG A 54 12.880 4.955 8.306 1.00 43.44 C ATOM 845 NH1 ARG A 54 12.531 6.200 8.268 1.00 21.45 N ATOM 846 NH2 ARG A 54 13.472 4.491 9.359 1.00 71.41 N ATOM 0 H ARG A 54 11.571 1.936 2.495 1.00 35.33 H new ATOM 0 HA ARG A 54 14.077 1.692 4.003 1.00 32.32 H new ATOM 0 HB2 ARG A 54 11.176 2.140 4.833 1.00 31.41 H new ATOM 0 HB3 ARG A 54 12.498 1.979 5.972 1.00 31.41 H new ATOM 0 HG2 ARG A 54 13.600 3.969 4.764 1.00 54.13 H new ATOM 0 HG3 ARG A 54 12.071 4.193 3.939 1.00 54.13 H new ATOM 0 HD2 ARG A 54 12.129 5.642 5.897 1.00 71.52 H new ATOM 0 HD3 ARG A 54 10.916 4.401 6.145 1.00 71.52 H new ATOM 0 HE ARG A 54 12.971 3.198 7.362 1.00 70.43 H new ATOM 0 HH11 ARG A 54 12.076 6.577 7.437 1.00 21.45 H new ATOM 0 HH12 ARG A 54 12.711 6.805 9.069 1.00 21.45 H new ATOM 0 HH21 ARG A 54 13.762 3.514 9.392 1.00 71.41 H new ATOM 0 HH22 ARG A 54 13.649 5.103 10.156 1.00 71.41 H new ATOM 860 N TYR A 55 11.674 -0.590 4.006 1.00 1.25 N ATOM 861 CA TYR A 55 11.377 -1.993 4.328 1.00 31.42 C ATOM 862 C TYR A 55 12.008 -2.959 3.309 1.00 32.31 C ATOM 863 O TYR A 55 11.944 -2.728 2.102 1.00 34.42 O ATOM 864 CB TYR A 55 9.857 -2.213 4.394 1.00 40.23 C ATOM 865 CG TYR A 55 9.198 -1.576 5.606 1.00 5.14 C ATOM 866 CD1 TYR A 55 9.185 -0.197 5.774 1.00 40.21 C ATOM 867 CD2 TYR A 55 8.593 -2.360 6.584 1.00 34.33 C ATOM 868 CE1 TYR A 55 8.592 0.383 6.879 1.00 33.53 C ATOM 869 CE2 TYR A 55 7.996 -1.788 7.691 1.00 10.24 C ATOM 870 CZ TYR A 55 7.998 -0.415 7.835 1.00 31.54 C ATOM 871 OH TYR A 55 7.403 0.160 8.937 1.00 14.33 O ATOM 0 H TYR A 55 10.910 -0.093 3.549 1.00 1.25 H new ATOM 0 HA TYR A 55 11.815 -2.207 5.303 1.00 31.42 H new ATOM 0 HB2 TYR A 55 9.401 -1.809 3.490 1.00 40.23 H new ATOM 0 HB3 TYR A 55 9.654 -3.284 4.402 1.00 40.23 H new ATOM 0 HD1 TYR A 55 9.647 0.433 5.028 1.00 40.21 H new ATOM 0 HD2 TYR A 55 8.590 -3.435 6.476 1.00 34.33 H new ATOM 0 HE1 TYR A 55 8.593 1.457 6.994 1.00 33.53 H new ATOM 0 HE2 TYR A 55 7.530 -2.412 8.440 1.00 10.24 H new ATOM 0 HH TYR A 55 7.031 -0.542 9.511 1.00 14.33 H new ATOM 881 N PRO A 56 12.612 -4.068 3.787 1.00 63.33 N ATOM 882 CA PRO A 56 13.267 -5.068 2.916 1.00 51.13 C ATOM 883 C PRO A 56 12.265 -6.010 2.220 1.00 44.14 C ATOM 884 O PRO A 56 12.451 -7.230 2.192 1.00 64.42 O ATOM 885 CB PRO A 56 14.148 -5.838 3.907 1.00 22.33 C ATOM 886 CG PRO A 56 13.398 -5.780 5.193 1.00 31.12 C ATOM 887 CD PRO A 56 12.720 -4.432 5.216 1.00 15.34 C ATOM 0 HA PRO A 56 13.812 -4.608 2.092 1.00 51.13 H new ATOM 0 HB2 PRO A 56 14.303 -6.867 3.584 1.00 22.33 H new ATOM 0 HB3 PRO A 56 15.133 -5.381 4.001 1.00 22.33 H new ATOM 0 HG2 PRO A 56 12.667 -6.586 5.255 1.00 31.12 H new ATOM 0 HG3 PRO A 56 14.071 -5.893 6.043 1.00 31.12 H new ATOM 0 HD2 PRO A 56 11.740 -4.485 5.691 1.00 15.34 H new ATOM 0 HD3 PRO A 56 13.305 -3.699 5.772 1.00 15.34 H new ATOM 895 N LEU A 57 11.219 -5.434 1.633 1.00 11.04 N ATOM 896 CA LEU A 57 10.176 -6.211 0.958 1.00 24.52 C ATOM 897 C LEU A 57 10.681 -6.808 -0.366 1.00 3.52 C ATOM 898 O LEU A 57 11.582 -6.262 -1.006 1.00 44.33 O ATOM 899 CB LEU A 57 8.953 -5.322 0.680 1.00 44.35 C ATOM 900 CG LEU A 57 8.300 -4.674 1.913 1.00 51.00 C ATOM 901 CD1 LEU A 57 7.168 -3.736 1.492 1.00 64.24 C ATOM 902 CD2 LEU A 57 7.789 -5.741 2.881 1.00 13.35 C ATOM 0 H LEU A 57 11.068 -4.425 1.610 1.00 11.04 H new ATOM 0 HA LEU A 57 9.897 -7.031 1.620 1.00 24.52 H new ATOM 0 HB2 LEU A 57 9.252 -4.530 -0.007 1.00 44.35 H new ATOM 0 HB3 LEU A 57 8.201 -5.922 0.167 1.00 44.35 H new ATOM 0 HG LEU A 57 9.057 -4.085 2.430 1.00 51.00 H new ATOM 0 HD11 LEU A 57 6.719 -3.287 2.378 1.00 64.24 H new ATOM 0 HD12 LEU A 57 7.566 -2.950 0.850 1.00 64.24 H new ATOM 0 HD13 LEU A 57 6.411 -4.301 0.948 1.00 64.24 H new ATOM 0 HD21 LEU A 57 7.331 -5.259 3.745 1.00 13.35 H new ATOM 0 HD22 LEU A 57 7.049 -6.364 2.378 1.00 13.35 H new ATOM 0 HD23 LEU A 57 8.622 -6.362 3.211 1.00 13.35 H new ATOM 914 N THR A 58 10.089 -7.925 -0.773 1.00 64.44 N ATOM 915 CA THR A 58 10.410 -8.550 -2.062 1.00 32.32 C ATOM 916 C THR A 58 9.658 -7.863 -3.207 1.00 54.42 C ATOM 917 O THR A 58 8.641 -7.204 -2.981 1.00 60.54 O ATOM 918 CB THR A 58 10.064 -10.059 -2.070 1.00 54.44 C ATOM 919 OG1 THR A 58 8.648 -10.255 -1.911 1.00 50.31 O ATOM 920 CG2 THR A 58 10.801 -10.792 -0.955 1.00 3.40 C ATOM 0 H THR A 58 9.382 -8.422 -0.231 1.00 64.44 H new ATOM 0 HA THR A 58 11.484 -8.434 -2.207 1.00 32.32 H new ATOM 0 HB THR A 58 10.379 -10.465 -3.031 1.00 54.44 H new ATOM 0 HG1 THR A 58 8.393 -10.061 -0.985 1.00 50.31 H new ATOM 0 HG21 THR A 58 10.541 -11.850 -0.982 1.00 3.40 H new ATOM 0 HG22 THR A 58 11.876 -10.679 -1.094 1.00 3.40 H new ATOM 0 HG23 THR A 58 10.513 -10.372 0.009 1.00 3.40 H new ATOM 928 N GLU A 59 10.150 -8.031 -4.432 1.00 63.23 N ATOM 929 CA GLU A 59 9.568 -7.363 -5.611 1.00 65.12 C ATOM 930 C GLU A 59 8.040 -7.531 -5.690 1.00 34.43 C ATOM 931 O GLU A 59 7.311 -6.556 -5.887 1.00 12.51 O ATOM 932 CB GLU A 59 10.220 -7.883 -6.898 1.00 54.42 C ATOM 933 CG GLU A 59 11.688 -7.497 -7.037 1.00 20.33 C ATOM 934 CD GLU A 59 12.307 -7.970 -8.340 1.00 31.12 C ATOM 935 OE1 GLU A 59 11.733 -7.684 -9.413 1.00 31.41 O ATOM 936 OE2 GLU A 59 13.362 -8.636 -8.298 1.00 74.44 O ATOM 0 H GLU A 59 10.953 -8.624 -4.642 1.00 63.23 H new ATOM 0 HA GLU A 59 9.772 -6.298 -5.503 1.00 65.12 H new ATOM 0 HB2 GLU A 59 10.134 -8.969 -6.926 1.00 54.42 H new ATOM 0 HB3 GLU A 59 9.669 -7.498 -7.756 1.00 54.42 H new ATOM 0 HG2 GLU A 59 11.780 -6.413 -6.970 1.00 20.33 H new ATOM 0 HG3 GLU A 59 12.249 -7.917 -6.202 1.00 20.33 H new ATOM 943 N SER A 60 7.564 -8.767 -5.525 1.00 14.21 N ATOM 944 CA SER A 60 6.119 -9.053 -5.534 1.00 11.51 C ATOM 945 C SER A 60 5.359 -8.183 -4.518 1.00 50.45 C ATOM 946 O SER A 60 4.212 -7.795 -4.753 1.00 22.13 O ATOM 947 CB SER A 60 5.860 -10.535 -5.222 1.00 41.14 C ATOM 948 OG SER A 60 6.497 -11.385 -6.161 1.00 53.41 O ATOM 0 H SER A 60 8.153 -9.588 -5.383 1.00 14.21 H new ATOM 0 HA SER A 60 5.753 -8.818 -6.533 1.00 11.51 H new ATOM 0 HB2 SER A 60 6.220 -10.765 -4.219 1.00 41.14 H new ATOM 0 HB3 SER A 60 4.787 -10.726 -5.227 1.00 41.14 H new ATOM 0 HG SER A 60 6.314 -12.320 -5.933 1.00 53.41 H new ATOM 954 N GLN A 61 6.011 -7.878 -3.393 1.00 61.01 N ATOM 955 CA GLN A 61 5.395 -7.084 -2.322 1.00 64.03 C ATOM 956 C GLN A 61 5.339 -5.588 -2.683 1.00 72.11 C ATOM 957 O GLN A 61 4.301 -4.950 -2.510 1.00 21.10 O ATOM 958 CB GLN A 61 6.150 -7.297 -1.000 1.00 31.23 C ATOM 959 CG GLN A 61 6.114 -8.740 -0.512 1.00 73.22 C ATOM 960 CD GLN A 61 6.931 -8.958 0.752 1.00 42.21 C ATOM 961 OE1 GLN A 61 8.112 -9.274 0.695 1.00 43.04 O ATOM 962 NE2 GLN A 61 6.312 -8.800 1.901 1.00 12.40 N ATOM 0 H GLN A 61 6.969 -8.169 -3.198 1.00 61.01 H new ATOM 0 HA GLN A 61 4.368 -7.427 -2.200 1.00 64.03 H new ATOM 0 HB2 GLN A 61 7.188 -6.990 -1.129 1.00 31.23 H new ATOM 0 HB3 GLN A 61 5.719 -6.651 -0.235 1.00 31.23 H new ATOM 0 HG2 GLN A 61 5.080 -9.029 -0.324 1.00 73.22 H new ATOM 0 HG3 GLN A 61 6.490 -9.394 -1.299 1.00 73.22 H new ATOM 0 HE21 GLN A 61 5.327 -8.536 1.918 1.00 12.40 H new ATOM 0 HE22 GLN A 61 6.817 -8.941 2.776 1.00 12.40 H new ATOM 971 N LEU A 62 6.445 -5.031 -3.193 1.00 21.22 N ATOM 972 CA LEU A 62 6.456 -3.620 -3.627 1.00 45.21 C ATOM 973 C LEU A 62 5.395 -3.370 -4.712 1.00 44.41 C ATOM 974 O LEU A 62 4.639 -2.396 -4.645 1.00 0.14 O ATOM 975 CB LEU A 62 7.837 -3.182 -4.154 1.00 71.31 C ATOM 976 CG LEU A 62 8.939 -2.994 -3.095 1.00 64.02 C ATOM 977 CD1 LEU A 62 9.488 -4.336 -2.638 1.00 40.45 C ATOM 978 CD2 LEU A 62 10.058 -2.099 -3.627 1.00 64.33 C ATOM 0 H LEU A 62 7.331 -5.522 -3.316 1.00 21.22 H new ATOM 0 HA LEU A 62 6.224 -3.024 -2.745 1.00 45.21 H new ATOM 0 HB2 LEU A 62 8.179 -3.923 -4.877 1.00 71.31 H new ATOM 0 HB3 LEU A 62 7.716 -2.243 -4.693 1.00 71.31 H new ATOM 0 HG LEU A 62 8.495 -2.501 -2.230 1.00 64.02 H new ATOM 0 HD11 LEU A 62 10.265 -4.176 -1.890 1.00 40.45 H new ATOM 0 HD12 LEU A 62 8.683 -4.930 -2.204 1.00 40.45 H new ATOM 0 HD13 LEU A 62 9.910 -4.866 -3.492 1.00 40.45 H new ATOM 0 HD21 LEU A 62 10.825 -1.981 -2.861 1.00 64.33 H new ATOM 0 HD22 LEU A 62 10.498 -2.555 -4.514 1.00 64.33 H new ATOM 0 HD23 LEU A 62 9.650 -1.122 -3.886 1.00 64.33 H new ATOM 990 N ALA A 63 5.351 -4.252 -5.712 1.00 40.33 N ATOM 991 CA ALA A 63 4.346 -4.172 -6.778 1.00 41.41 C ATOM 992 C ALA A 63 2.923 -4.173 -6.204 1.00 43.33 C ATOM 993 O ALA A 63 2.047 -3.440 -6.674 1.00 11.32 O ATOM 994 CB ALA A 63 4.524 -5.331 -7.752 1.00 71.42 C ATOM 0 H ALA A 63 6.001 -5.033 -5.808 1.00 40.33 H new ATOM 0 HA ALA A 63 4.491 -3.232 -7.310 1.00 41.41 H new ATOM 0 HB1 ALA A 63 3.774 -5.263 -8.540 1.00 71.42 H new ATOM 0 HB2 ALA A 63 5.519 -5.285 -8.194 1.00 71.42 H new ATOM 0 HB3 ALA A 63 4.407 -6.275 -7.220 1.00 71.42 H new ATOM 1000 N LEU A 64 2.702 -4.996 -5.181 1.00 44.14 N ATOM 1001 CA LEU A 64 1.409 -5.050 -4.499 1.00 50.54 C ATOM 1002 C LEU A 64 1.075 -3.707 -3.831 1.00 41.24 C ATOM 1003 O LEU A 64 0.041 -3.109 -4.116 1.00 74.44 O ATOM 1004 CB LEU A 64 1.401 -6.164 -3.444 1.00 31.33 C ATOM 1005 CG LEU A 64 0.073 -6.324 -2.684 1.00 51.43 C ATOM 1006 CD1 LEU A 64 -1.039 -6.798 -3.621 1.00 1.15 C ATOM 1007 CD2 LEU A 64 0.236 -7.272 -1.501 1.00 42.20 C ATOM 0 H LEU A 64 3.402 -5.636 -4.805 1.00 44.14 H new ATOM 0 HA LEU A 64 0.650 -5.262 -5.252 1.00 50.54 H new ATOM 0 HB2 LEU A 64 1.640 -7.109 -3.932 1.00 31.33 H new ATOM 0 HB3 LEU A 64 2.195 -5.968 -2.723 1.00 31.33 H new ATOM 0 HG LEU A 64 -0.214 -5.347 -2.294 1.00 51.43 H new ATOM 0 HD11 LEU A 64 -1.967 -6.903 -3.060 1.00 1.15 H new ATOM 0 HD12 LEU A 64 -1.178 -6.068 -4.419 1.00 1.15 H new ATOM 0 HD13 LEU A 64 -0.765 -7.760 -4.053 1.00 1.15 H new ATOM 0 HD21 LEU A 64 -0.716 -7.369 -0.979 1.00 42.20 H new ATOM 0 HD22 LEU A 64 0.555 -8.251 -1.860 1.00 42.20 H new ATOM 0 HD23 LEU A 64 0.986 -6.875 -0.817 1.00 42.20 H new ATOM 1019 N VAL A 65 1.967 -3.238 -2.955 1.00 42.23 N ATOM 1020 CA VAL A 65 1.760 -1.984 -2.211 1.00 51.30 C ATOM 1021 C VAL A 65 1.452 -0.803 -3.152 1.00 45.54 C ATOM 1022 O VAL A 65 0.536 -0.014 -2.901 1.00 42.41 O ATOM 1023 CB VAL A 65 3.000 -1.649 -1.343 1.00 20.10 C ATOM 1024 CG1 VAL A 65 2.811 -0.337 -0.578 1.00 54.43 C ATOM 1025 CG2 VAL A 65 3.308 -2.796 -0.380 1.00 10.32 C ATOM 0 H VAL A 65 2.846 -3.708 -2.740 1.00 42.23 H new ATOM 0 HA VAL A 65 0.897 -2.137 -1.563 1.00 51.30 H new ATOM 0 HB VAL A 65 3.850 -1.521 -2.014 1.00 20.10 H new ATOM 0 HG11 VAL A 65 3.699 -0.133 0.020 1.00 54.43 H new ATOM 0 HG12 VAL A 65 2.655 0.477 -1.285 1.00 54.43 H new ATOM 0 HG13 VAL A 65 1.944 -0.419 0.077 1.00 54.43 H new ATOM 0 HG21 VAL A 65 4.181 -2.542 0.221 1.00 10.32 H new ATOM 0 HG22 VAL A 65 2.453 -2.961 0.275 1.00 10.32 H new ATOM 0 HG23 VAL A 65 3.510 -3.704 -0.948 1.00 10.32 H new ATOM 1035 N ARG A 66 2.210 -0.703 -4.244 1.00 24.25 N ATOM 1036 CA ARG A 66 1.980 0.333 -5.261 1.00 14.24 C ATOM 1037 C ARG A 66 0.561 0.242 -5.851 1.00 14.32 C ATOM 1038 O ARG A 66 -0.062 1.261 -6.160 1.00 71.34 O ATOM 1039 CB ARG A 66 3.023 0.216 -6.383 1.00 63.23 C ATOM 1040 CG ARG A 66 4.439 0.593 -5.950 1.00 14.12 C ATOM 1041 CD ARG A 66 5.470 0.304 -7.040 1.00 51.54 C ATOM 1042 NE ARG A 66 5.122 0.925 -8.320 1.00 15.24 N ATOM 1043 CZ ARG A 66 5.799 0.753 -9.427 1.00 52.31 C ATOM 1044 NH1 ARG A 66 6.920 0.101 -9.426 1.00 45.22 N ATOM 1045 NH2 ARG A 66 5.375 1.277 -10.528 1.00 52.14 N ATOM 0 H ARG A 66 2.991 -1.326 -4.451 1.00 24.25 H new ATOM 0 HA ARG A 66 2.080 1.303 -4.774 1.00 14.24 H new ATOM 0 HB2 ARG A 66 3.028 -0.808 -6.757 1.00 63.23 H new ATOM 0 HB3 ARG A 66 2.724 0.857 -7.213 1.00 63.23 H new ATOM 0 HG2 ARG A 66 4.469 1.652 -5.695 1.00 14.12 H new ATOM 0 HG3 ARG A 66 4.701 0.040 -5.048 1.00 14.12 H new ATOM 0 HD2 ARG A 66 6.446 0.666 -6.718 1.00 51.54 H new ATOM 0 HD3 ARG A 66 5.559 -0.774 -7.175 1.00 51.54 H new ATOM 0 HE ARG A 66 4.301 1.529 -8.351 1.00 15.24 H new ATOM 0 HH11 ARG A 66 7.285 -0.285 -8.555 1.00 45.22 H new ATOM 0 HH12 ARG A 66 7.437 -0.026 -10.296 1.00 45.22 H new ATOM 0 HH21 ARG A 66 4.514 1.824 -10.534 1.00 52.14 H new ATOM 0 HH22 ARG A 66 5.901 1.144 -11.392 1.00 52.14 H new ATOM 1059 N ASP A 67 0.058 -0.980 -5.998 1.00 51.44 N ATOM 1060 CA ASP A 67 -1.281 -1.205 -6.549 1.00 53.30 C ATOM 1061 C ASP A 67 -2.369 -1.032 -5.469 1.00 30.51 C ATOM 1062 O ASP A 67 -3.494 -0.620 -5.763 1.00 50.21 O ATOM 1063 CB ASP A 67 -1.355 -2.604 -7.174 1.00 23.43 C ATOM 1064 CG ASP A 67 -2.549 -2.766 -8.095 1.00 30.22 C ATOM 1065 OD1 ASP A 67 -2.467 -2.329 -9.262 1.00 4.34 O ATOM 1066 OD2 ASP A 67 -3.567 -3.341 -7.672 1.00 60.13 O ATOM 0 H ASP A 67 0.556 -1.833 -5.744 1.00 51.44 H new ATOM 0 HA ASP A 67 -1.466 -0.458 -7.321 1.00 53.30 H new ATOM 0 HB2 ASP A 67 -0.440 -2.797 -7.733 1.00 23.43 H new ATOM 0 HB3 ASP A 67 -1.408 -3.350 -6.381 1.00 23.43 H new ATOM 1071 N ILE A 68 -2.018 -1.331 -4.217 1.00 25.44 N ATOM 1072 CA ILE A 68 -2.941 -1.159 -3.089 1.00 60.43 C ATOM 1073 C ILE A 68 -3.331 0.315 -2.919 1.00 71.12 C ATOM 1074 O ILE A 68 -4.495 0.635 -2.686 1.00 75.15 O ATOM 1075 CB ILE A 68 -2.340 -1.684 -1.754 1.00 0.31 C ATOM 1076 CG1 ILE A 68 -2.121 -3.207 -1.822 1.00 75.12 C ATOM 1077 CG2 ILE A 68 -3.244 -1.324 -0.568 1.00 11.22 C ATOM 1078 CD1 ILE A 68 -1.530 -3.799 -0.558 1.00 54.20 C ATOM 0 H ILE A 68 -1.101 -1.694 -3.956 1.00 25.44 H new ATOM 0 HA ILE A 68 -3.828 -1.748 -3.323 1.00 60.43 H new ATOM 0 HB ILE A 68 -1.374 -1.201 -1.604 1.00 0.31 H new ATOM 0 HG12 ILE A 68 -3.075 -3.693 -2.028 1.00 75.12 H new ATOM 0 HG13 ILE A 68 -1.461 -3.432 -2.660 1.00 75.12 H new ATOM 0 HG21 ILE A 68 -2.802 -1.702 0.354 1.00 11.22 H new ATOM 0 HG22 ILE A 68 -3.346 -0.241 -0.504 1.00 11.22 H new ATOM 0 HG23 ILE A 68 -4.227 -1.773 -0.710 1.00 11.22 H new ATOM 0 HD11 ILE A 68 -1.406 -4.875 -0.684 1.00 54.20 H new ATOM 0 HD12 ILE A 68 -0.560 -3.342 -0.361 1.00 54.20 H new ATOM 0 HD13 ILE A 68 -2.199 -3.607 0.281 1.00 54.20 H new ATOM 1090 N ARG A 69 -2.353 1.216 -3.045 1.00 64.14 N ATOM 1091 CA ARG A 69 -2.624 2.657 -2.962 1.00 3.03 C ATOM 1092 C ARG A 69 -3.582 3.099 -4.083 1.00 24.54 C ATOM 1093 O ARG A 69 -4.427 3.974 -3.886 1.00 64.34 O ATOM 1094 CB ARG A 69 -1.313 3.463 -3.020 1.00 35.33 C ATOM 1095 CG ARG A 69 -1.506 4.963 -2.802 1.00 71.32 C ATOM 1096 CD ARG A 69 -0.180 5.710 -2.641 1.00 50.23 C ATOM 1097 NE ARG A 69 0.649 5.658 -3.847 1.00 42.52 N ATOM 1098 CZ ARG A 69 1.218 6.702 -4.390 1.00 32.05 C ATOM 1099 NH1 ARG A 69 1.037 7.884 -3.897 1.00 25.23 N ATOM 1100 NH2 ARG A 69 1.969 6.556 -5.430 1.00 35.12 N ATOM 0 H ARG A 69 -1.374 0.978 -3.204 1.00 64.14 H new ATOM 0 HA ARG A 69 -3.105 2.856 -2.004 1.00 3.03 H new ATOM 0 HB2 ARG A 69 -0.627 3.080 -2.264 1.00 35.33 H new ATOM 0 HB3 ARG A 69 -0.841 3.303 -3.989 1.00 35.33 H new ATOM 0 HG2 ARG A 69 -2.054 5.381 -3.646 1.00 71.32 H new ATOM 0 HG3 ARG A 69 -2.118 5.122 -1.914 1.00 71.32 H new ATOM 0 HD2 ARG A 69 -0.383 6.751 -2.389 1.00 50.23 H new ATOM 0 HD3 ARG A 69 0.374 5.282 -1.806 1.00 50.23 H new ATOM 0 HE ARG A 69 0.791 4.751 -4.291 1.00 42.52 H new ATOM 0 HH11 ARG A 69 0.445 8.009 -3.076 1.00 25.23 H new ATOM 0 HH12 ARG A 69 1.486 8.691 -4.329 1.00 25.23 H new ATOM 0 HH21 ARG A 69 2.117 5.628 -5.826 1.00 35.12 H new ATOM 0 HH22 ARG A 69 2.414 7.369 -5.856 1.00 35.12 H new ATOM 1114 N ARG A 70 -3.457 2.474 -5.256 1.00 70.21 N ATOM 1115 CA ARG A 70 -4.344 2.757 -6.391 1.00 54.31 C ATOM 1116 C ARG A 70 -5.807 2.419 -6.059 1.00 12.12 C ATOM 1117 O ARG A 70 -6.681 3.290 -6.103 1.00 0.11 O ATOM 1118 CB ARG A 70 -3.887 1.966 -7.628 1.00 70.41 C ATOM 1119 CG ARG A 70 -4.822 2.056 -8.843 1.00 63.41 C ATOM 1120 CD ARG A 70 -4.981 3.482 -9.373 1.00 13.44 C ATOM 1121 NE ARG A 70 -5.851 4.299 -8.527 1.00 50.34 N ATOM 1122 CZ ARG A 70 -5.827 5.605 -8.483 1.00 21.13 C ATOM 1123 NH1 ARG A 70 -5.012 6.277 -9.231 1.00 41.11 N ATOM 1124 NH2 ARG A 70 -6.633 6.232 -7.690 1.00 15.30 N ATOM 0 H ARG A 70 -2.748 1.766 -5.447 1.00 70.21 H new ATOM 0 HA ARG A 70 -4.286 3.825 -6.604 1.00 54.31 H new ATOM 0 HB2 ARG A 70 -2.899 2.321 -7.922 1.00 70.41 H new ATOM 0 HB3 ARG A 70 -3.779 0.918 -7.350 1.00 70.41 H new ATOM 0 HG2 ARG A 70 -4.436 1.420 -9.639 1.00 63.41 H new ATOM 0 HG3 ARG A 70 -5.802 1.665 -8.570 1.00 63.41 H new ATOM 0 HD2 ARG A 70 -4.000 3.952 -9.442 1.00 13.44 H new ATOM 0 HD3 ARG A 70 -5.389 3.448 -10.383 1.00 13.44 H new ATOM 0 HE ARG A 70 -6.523 3.816 -7.930 1.00 50.34 H new ATOM 0 HH11 ARG A 70 -4.379 5.788 -9.864 1.00 41.11 H new ATOM 0 HH12 ARG A 70 -5.003 7.296 -9.188 1.00 41.11 H new ATOM 0 HH21 ARG A 70 -7.282 5.707 -7.104 1.00 15.30 H new ATOM 0 HH22 ARG A 70 -6.620 7.251 -7.651 1.00 15.30 H new ATOM 1138 N ARG A 71 -6.074 1.156 -5.733 1.00 1.25 N ATOM 1139 CA ARG A 71 -7.440 0.713 -5.418 1.00 31.23 C ATOM 1140 C ARG A 71 -7.947 1.352 -4.115 1.00 75.22 C ATOM 1141 O ARG A 71 -9.103 1.776 -4.021 1.00 31.00 O ATOM 1142 CB ARG A 71 -7.492 -0.815 -5.304 1.00 75.11 C ATOM 1143 CG ARG A 71 -6.907 -1.546 -6.512 1.00 64.35 C ATOM 1144 CD ARG A 71 -7.062 -3.061 -6.394 1.00 50.55 C ATOM 1145 NE ARG A 71 -6.304 -3.770 -7.424 1.00 64.15 N ATOM 1146 CZ ARG A 71 -6.554 -4.989 -7.813 1.00 25.20 C ATOM 1147 NH1 ARG A 71 -7.581 -5.628 -7.357 1.00 12.11 N ATOM 1148 NH2 ARG A 71 -5.791 -5.557 -8.690 1.00 24.32 N ATOM 0 H ARG A 71 -5.369 0.421 -5.679 1.00 1.25 H new ATOM 0 HA ARG A 71 -8.090 1.035 -6.232 1.00 31.23 H new ATOM 0 HB2 ARG A 71 -6.951 -1.121 -4.409 1.00 75.11 H new ATOM 0 HB3 ARG A 71 -8.529 -1.125 -5.171 1.00 75.11 H new ATOM 0 HG2 ARG A 71 -7.402 -1.200 -7.420 1.00 64.35 H new ATOM 0 HG3 ARG A 71 -5.851 -1.296 -6.610 1.00 64.35 H new ATOM 0 HD2 ARG A 71 -6.726 -3.384 -5.409 1.00 50.55 H new ATOM 0 HD3 ARG A 71 -8.117 -3.325 -6.473 1.00 50.55 H new ATOM 0 HE ARG A 71 -5.528 -3.278 -7.868 1.00 64.15 H new ATOM 0 HH11 ARG A 71 -8.205 -5.179 -6.686 1.00 12.11 H new ATOM 0 HH12 ARG A 71 -7.768 -6.581 -7.668 1.00 12.11 H new ATOM 0 HH21 ARG A 71 -4.994 -5.051 -9.077 1.00 24.32 H new ATOM 0 HH22 ARG A 71 -5.986 -6.511 -8.995 1.00 24.32 H new ATOM 1162 N GLY A 72 -7.062 1.427 -3.123 1.00 51.52 N ATOM 1163 CA GLY A 72 -7.400 2.012 -1.830 1.00 20.14 C ATOM 1164 C GLY A 72 -7.847 3.468 -1.927 1.00 4.01 C ATOM 1165 O GLY A 72 -8.824 3.868 -1.292 1.00 1.03 O ATOM 0 H GLY A 72 -6.102 1.088 -3.192 1.00 51.52 H new ATOM 0 HA2 GLY A 72 -8.194 1.425 -1.369 1.00 20.14 H new ATOM 0 HA3 GLY A 72 -6.534 1.948 -1.172 1.00 20.14 H new ATOM 1169 N LYS A 73 -7.146 4.272 -2.728 1.00 4.44 N ATOM 1170 CA LYS A 73 -7.538 5.670 -2.917 1.00 35.20 C ATOM 1171 C LYS A 73 -8.702 5.795 -3.917 1.00 75.52 C ATOM 1172 O LYS A 73 -9.478 6.742 -3.857 1.00 32.42 O ATOM 1173 CB LYS A 73 -6.340 6.522 -3.360 1.00 25.22 C ATOM 1174 CG LYS A 73 -6.661 8.015 -3.444 1.00 4.42 C ATOM 1175 CD LYS A 73 -5.405 8.883 -3.477 1.00 24.14 C ATOM 1176 CE LYS A 73 -4.519 8.579 -4.678 1.00 12.33 C ATOM 1177 NZ LYS A 73 -3.330 9.474 -4.717 1.00 43.00 N ATOM 0 H LYS A 73 -6.317 3.986 -3.249 1.00 4.44 H new ATOM 0 HA LYS A 73 -7.885 6.049 -1.956 1.00 35.20 H new ATOM 0 HB2 LYS A 73 -5.518 6.373 -2.660 1.00 25.22 H new ATOM 0 HB3 LYS A 73 -5.996 6.175 -4.335 1.00 25.22 H new ATOM 0 HG2 LYS A 73 -7.254 8.206 -4.338 1.00 4.42 H new ATOM 0 HG3 LYS A 73 -7.273 8.300 -2.589 1.00 4.42 H new ATOM 0 HD2 LYS A 73 -5.694 9.934 -3.499 1.00 24.14 H new ATOM 0 HD3 LYS A 73 -4.836 8.728 -2.561 1.00 24.14 H new ATOM 0 HE2 LYS A 73 -4.193 7.540 -4.637 1.00 12.33 H new ATOM 0 HE3 LYS A 73 -5.095 8.697 -5.596 1.00 12.33 H new ATOM 0 HZ1 LYS A 73 -2.747 9.241 -5.546 1.00 43.00 H new ATOM 0 HZ2 LYS A 73 -3.643 10.464 -4.780 1.00 43.00 H new ATOM 0 HZ3 LYS A 73 -2.768 9.343 -3.852 1.00 43.00 H new ATOM 1191 N ASN A 74 -8.836 4.824 -4.821 1.00 62.12 N ATOM 1192 CA ASN A 74 -9.951 4.806 -5.780 1.00 63.22 C ATOM 1193 C ASN A 74 -11.302 4.655 -5.050 1.00 1.23 C ATOM 1194 O ASN A 74 -12.249 5.405 -5.297 1.00 64.34 O ATOM 1195 CB ASN A 74 -9.763 3.661 -6.788 1.00 4.41 C ATOM 1196 CG ASN A 74 -10.844 3.625 -7.855 1.00 13.50 C ATOM 1197 OD1 ASN A 74 -11.400 4.649 -8.236 1.00 72.20 O ATOM 1198 ND2 ASN A 74 -11.148 2.443 -8.350 1.00 1.13 N ATOM 0 H ASN A 74 -8.190 4.040 -4.913 1.00 62.12 H new ATOM 0 HA ASN A 74 -9.957 5.755 -6.316 1.00 63.22 H new ATOM 0 HB2 ASN A 74 -8.790 3.763 -7.268 1.00 4.41 H new ATOM 0 HB3 ASN A 74 -9.756 2.711 -6.253 1.00 4.41 H new ATOM 0 HD21 ASN A 74 -11.864 2.361 -9.072 1.00 1.13 H new ATOM 0 HD22 ASN A 74 -10.667 1.609 -8.012 1.00 1.13 H new ATOM 1205 N LYS A 75 -11.369 3.691 -4.132 1.00 10.11 N ATOM 1206 CA LYS A 75 -12.602 3.408 -3.384 1.00 24.33 C ATOM 1207 C LYS A 75 -13.007 4.570 -2.456 1.00 52.55 C ATOM 1208 O LYS A 75 -14.192 4.756 -2.171 1.00 32.22 O ATOM 1209 CB LYS A 75 -12.438 2.109 -2.573 1.00 1.24 C ATOM 1210 CG LYS A 75 -11.299 2.152 -1.555 1.00 34.44 C ATOM 1211 CD LYS A 75 -11.003 0.783 -0.940 1.00 34.23 C ATOM 1212 CE LYS A 75 -12.173 0.242 -0.125 1.00 5.03 C ATOM 1213 NZ LYS A 75 -11.836 -1.045 0.541 1.00 44.12 N ATOM 0 H LYS A 75 -10.583 3.089 -3.885 1.00 10.11 H new ATOM 0 HA LYS A 75 -13.404 3.287 -4.112 1.00 24.33 H new ATOM 0 HB2 LYS A 75 -13.371 1.899 -2.050 1.00 1.24 H new ATOM 0 HB3 LYS A 75 -12.265 1.282 -3.262 1.00 1.24 H new ATOM 0 HG2 LYS A 75 -10.399 2.530 -2.039 1.00 34.44 H new ATOM 0 HG3 LYS A 75 -11.553 2.855 -0.761 1.00 34.44 H new ATOM 0 HD2 LYS A 75 -10.760 0.077 -1.734 1.00 34.23 H new ATOM 0 HD3 LYS A 75 -10.123 0.858 -0.301 1.00 34.23 H new ATOM 0 HE2 LYS A 75 -12.461 0.976 0.628 1.00 5.03 H new ATOM 0 HE3 LYS A 75 -13.035 0.099 -0.777 1.00 5.03 H new ATOM 0 HZ1 LYS A 75 -12.428 -1.805 0.148 1.00 44.12 H new ATOM 0 HZ2 LYS A 75 -10.833 -1.268 0.378 1.00 44.12 H new ATOM 0 HZ3 LYS A 75 -12.011 -0.963 1.563 1.00 44.12 H new ATOM 1227 N VAL A 76 -12.037 5.352 -1.983 1.00 35.42 N ATOM 1228 CA VAL A 76 -12.334 6.456 -1.056 1.00 24.31 C ATOM 1229 C VAL A 76 -12.485 7.815 -1.771 1.00 24.32 C ATOM 1230 O VAL A 76 -13.398 8.576 -1.466 1.00 30.13 O ATOM 1231 CB VAL A 76 -11.266 6.577 0.067 1.00 65.33 C ATOM 1232 CG1 VAL A 76 -9.887 6.899 -0.508 1.00 14.13 C ATOM 1233 CG2 VAL A 76 -11.682 7.622 1.107 1.00 61.25 C ATOM 0 H VAL A 76 -11.050 5.248 -2.219 1.00 35.42 H new ATOM 0 HA VAL A 76 -13.294 6.203 -0.606 1.00 24.31 H new ATOM 0 HB VAL A 76 -11.199 5.610 0.565 1.00 65.33 H new ATOM 0 HG11 VAL A 76 -9.164 6.977 0.304 1.00 14.13 H new ATOM 0 HG12 VAL A 76 -9.583 6.105 -1.190 1.00 14.13 H new ATOM 0 HG13 VAL A 76 -9.930 7.845 -1.048 1.00 14.13 H new ATOM 0 HG21 VAL A 76 -10.918 7.688 1.882 1.00 61.25 H new ATOM 0 HG22 VAL A 76 -11.793 8.593 0.623 1.00 61.25 H new ATOM 0 HG23 VAL A 76 -12.631 7.330 1.557 1.00 61.25 H new ATOM 1243 N ALA A 77 -11.606 8.111 -2.729 1.00 54.12 N ATOM 1244 CA ALA A 77 -11.614 9.416 -3.416 1.00 53.41 C ATOM 1245 C ALA A 77 -12.806 9.577 -4.377 1.00 73.21 C ATOM 1246 O ALA A 77 -13.003 10.644 -4.963 1.00 11.12 O ATOM 1247 CB ALA A 77 -10.298 9.627 -4.160 1.00 24.41 C ATOM 0 H ALA A 77 -10.879 7.472 -3.051 1.00 54.12 H new ATOM 0 HA ALA A 77 -11.725 10.180 -2.647 1.00 53.41 H new ATOM 0 HB1 ALA A 77 -10.316 10.594 -4.663 1.00 24.41 H new ATOM 0 HB2 ALA A 77 -9.471 9.602 -3.450 1.00 24.41 H new ATOM 0 HB3 ALA A 77 -10.167 8.836 -4.898 1.00 24.41 H new ATOM 1253 N ALA A 78 -13.594 8.518 -4.539 1.00 33.01 N ATOM 1254 CA ALA A 78 -14.774 8.554 -5.413 1.00 40.45 C ATOM 1255 C ALA A 78 -15.965 9.275 -4.755 1.00 63.15 C ATOM 1256 O ALA A 78 -16.772 9.911 -5.433 1.00 75.15 O ATOM 1257 CB ALA A 78 -15.168 7.136 -5.812 1.00 40.34 C ATOM 0 H ALA A 78 -13.441 7.621 -4.078 1.00 33.01 H new ATOM 0 HA ALA A 78 -14.507 9.123 -6.303 1.00 40.45 H new ATOM 0 HB1 ALA A 78 -16.044 7.170 -6.460 1.00 40.34 H new ATOM 0 HB2 ALA A 78 -14.341 6.665 -6.344 1.00 40.34 H new ATOM 0 HB3 ALA A 78 -15.401 6.558 -4.918 1.00 40.34 H new ATOM 1263 N GLN A 79 -16.079 9.178 -3.429 1.00 74.44 N ATOM 1264 CA GLN A 79 -17.225 9.761 -2.712 1.00 33.31 C ATOM 1265 C GLN A 79 -17.094 11.286 -2.530 1.00 55.24 C ATOM 1266 O GLN A 79 -18.093 12.004 -2.573 1.00 74.54 O ATOM 1267 CB GLN A 79 -17.444 9.048 -1.359 1.00 61.20 C ATOM 1268 CG GLN A 79 -16.193 8.899 -0.492 1.00 75.33 C ATOM 1269 CD GLN A 79 -15.789 10.175 0.234 1.00 3.41 C ATOM 1270 OE1 GLN A 79 -16.629 10.985 0.609 1.00 4.04 O ATOM 1271 NE2 GLN A 79 -14.503 10.374 0.418 1.00 44.22 N ATOM 0 H GLN A 79 -15.401 8.707 -2.830 1.00 74.44 H new ATOM 0 HA GLN A 79 -18.107 9.600 -3.332 1.00 33.31 H new ATOM 0 HB2 GLN A 79 -18.195 9.599 -0.793 1.00 61.20 H new ATOM 0 HB3 GLN A 79 -17.854 8.056 -1.551 1.00 61.20 H new ATOM 0 HG2 GLN A 79 -16.364 8.113 0.244 1.00 75.33 H new ATOM 0 HG3 GLN A 79 -15.364 8.572 -1.120 1.00 75.33 H new ATOM 0 HE21 GLN A 79 -13.828 9.681 0.094 1.00 44.22 H new ATOM 0 HE22 GLN A 79 -14.180 11.222 0.884 1.00 44.22 H new ATOM 1280 N ASN A 80 -15.866 11.778 -2.361 1.00 64.51 N ATOM 1281 CA ASN A 80 -15.624 13.215 -2.127 1.00 32.42 C ATOM 1282 C ASN A 80 -15.450 14.007 -3.436 1.00 62.01 C ATOM 1283 O ASN A 80 -15.010 15.160 -3.419 1.00 22.43 O ATOM 1284 CB ASN A 80 -14.388 13.390 -1.234 1.00 25.44 C ATOM 1285 CG ASN A 80 -13.155 12.716 -1.808 1.00 35.24 C ATOM 1286 OD1 ASN A 80 -12.927 11.535 -1.588 1.00 14.41 O ATOM 1287 ND2 ASN A 80 -12.348 13.458 -2.541 1.00 24.50 N ATOM 0 H ASN A 80 -15.020 11.209 -2.381 1.00 64.51 H new ATOM 0 HA ASN A 80 -16.505 13.618 -1.628 1.00 32.42 H new ATOM 0 HB2 ASN A 80 -14.188 14.453 -1.101 1.00 25.44 H new ATOM 0 HB3 ASN A 80 -14.596 12.979 -0.246 1.00 25.44 H new ATOM 0 HD21 ASN A 80 -11.505 13.049 -2.943 1.00 24.50 H new ATOM 0 HD22 ASN A 80 -12.567 14.440 -2.705 1.00 24.50 H new ATOM 1294 N TYR A 81 -15.803 13.394 -4.564 1.00 64.20 N ATOM 1295 CA TYR A 81 -15.681 14.051 -5.872 1.00 0.05 C ATOM 1296 C TYR A 81 -16.971 14.827 -6.220 1.00 31.52 C ATOM 1297 O TYR A 81 -18.054 14.498 -5.730 1.00 62.44 O ATOM 1298 CB TYR A 81 -15.375 13.006 -6.956 1.00 12.54 C ATOM 1299 CG TYR A 81 -14.736 13.586 -8.209 1.00 44.20 C ATOM 1300 CD1 TYR A 81 -13.367 13.823 -8.259 1.00 23.15 C ATOM 1301 CD2 TYR A 81 -15.493 13.892 -9.336 1.00 72.43 C ATOM 1302 CE1 TYR A 81 -12.772 14.349 -9.388 1.00 1.12 C ATOM 1303 CE2 TYR A 81 -14.903 14.420 -10.470 1.00 20.20 C ATOM 1304 CZ TYR A 81 -13.542 14.645 -10.489 1.00 70.41 C ATOM 1305 OH TYR A 81 -12.946 15.165 -11.618 1.00 52.02 O ATOM 0 H TYR A 81 -16.176 12.445 -4.603 1.00 64.20 H new ATOM 0 HA TYR A 81 -14.859 14.766 -5.826 1.00 0.05 H new ATOM 0 HB2 TYR A 81 -14.712 12.248 -6.539 1.00 12.54 H new ATOM 0 HB3 TYR A 81 -16.301 12.502 -7.232 1.00 12.54 H new ATOM 0 HD1 TYR A 81 -12.757 13.591 -7.398 1.00 23.15 H new ATOM 0 HD2 TYR A 81 -16.558 13.714 -9.325 1.00 72.43 H new ATOM 0 HE1 TYR A 81 -11.707 14.527 -9.407 1.00 1.12 H new ATOM 0 HE2 TYR A 81 -15.504 14.655 -11.336 1.00 20.20 H new ATOM 0 HH TYR A 81 -13.627 15.318 -12.306 1.00 52.02 H new ATOM 1315 N ARG A 82 -16.848 15.857 -7.061 1.00 21.51 N ATOM 1316 CA ARG A 82 -17.996 16.702 -7.434 1.00 42.52 C ATOM 1317 C ARG A 82 -18.875 16.044 -8.511 1.00 63.22 C ATOM 1318 O ARG A 82 -20.036 15.721 -8.255 1.00 72.10 O ATOM 1319 CB ARG A 82 -17.500 18.075 -7.913 1.00 72.35 C ATOM 1320 CG ARG A 82 -18.591 19.033 -8.408 1.00 54.33 C ATOM 1321 CD ARG A 82 -19.603 19.392 -7.320 1.00 41.20 C ATOM 1322 NE ARG A 82 -20.653 18.380 -7.179 1.00 14.33 N ATOM 1323 CZ ARG A 82 -21.578 18.402 -6.258 1.00 3.32 C ATOM 1324 NH1 ARG A 82 -21.600 19.330 -5.353 1.00 22.25 N ATOM 1325 NH2 ARG A 82 -22.487 17.486 -6.240 1.00 62.03 N ATOM 0 H ARG A 82 -15.968 16.129 -7.499 1.00 21.51 H new ATOM 0 HA ARG A 82 -18.616 16.828 -6.547 1.00 42.52 H new ATOM 0 HB2 ARG A 82 -16.963 18.554 -7.094 1.00 72.35 H new ATOM 0 HB3 ARG A 82 -16.782 17.922 -8.718 1.00 72.35 H new ATOM 0 HG2 ARG A 82 -18.125 19.946 -8.780 1.00 54.33 H new ATOM 0 HG3 ARG A 82 -19.114 18.577 -9.248 1.00 54.33 H new ATOM 0 HD2 ARG A 82 -19.084 19.508 -6.369 1.00 41.20 H new ATOM 0 HD3 ARG A 82 -20.058 20.354 -7.554 1.00 41.20 H new ATOM 0 HE ARG A 82 -20.662 17.607 -7.844 1.00 14.33 H new ATOM 0 HH11 ARG A 82 -20.887 20.059 -5.353 1.00 22.25 H new ATOM 0 HH12 ARG A 82 -22.331 19.331 -4.641 1.00 22.25 H new ATOM 0 HH21 ARG A 82 -22.481 16.748 -6.944 1.00 62.03 H new ATOM 0 HH22 ARG A 82 -23.211 17.500 -5.522 1.00 62.03 H new ATOM 1339 N LYS A 83 -18.334 15.872 -9.717 1.00 42.25 N ATOM 1340 CA LYS A 83 -19.088 15.246 -10.812 1.00 41.04 C ATOM 1341 C LYS A 83 -19.261 13.735 -10.579 1.00 51.11 C ATOM 1342 O LYS A 83 -18.293 12.973 -10.573 1.00 50.34 O ATOM 1343 CB LYS A 83 -18.414 15.516 -12.166 1.00 1.12 C ATOM 1344 CG LYS A 83 -18.394 16.995 -12.559 1.00 43.11 C ATOM 1345 CD LYS A 83 -19.799 17.598 -12.557 1.00 74.31 C ATOM 1346 CE LYS A 83 -19.792 19.081 -12.919 1.00 44.55 C ATOM 1347 NZ LYS A 83 -19.409 19.312 -14.337 1.00 13.52 N ATOM 0 H LYS A 83 -17.385 16.153 -9.963 1.00 42.25 H new ATOM 0 HA LYS A 83 -20.081 15.696 -10.830 1.00 41.04 H new ATOM 0 HB2 LYS A 83 -17.390 15.144 -12.133 1.00 1.12 H new ATOM 0 HB3 LYS A 83 -18.933 14.951 -12.940 1.00 1.12 H new ATOM 0 HG2 LYS A 83 -17.760 17.547 -11.866 1.00 43.11 H new ATOM 0 HG3 LYS A 83 -17.953 17.103 -13.550 1.00 43.11 H new ATOM 0 HD2 LYS A 83 -20.426 17.056 -13.265 1.00 74.31 H new ATOM 0 HD3 LYS A 83 -20.246 17.469 -11.571 1.00 74.31 H new ATOM 0 HE2 LYS A 83 -20.781 19.502 -12.739 1.00 44.55 H new ATOM 0 HE3 LYS A 83 -19.097 19.609 -12.266 1.00 44.55 H new ATOM 0 HZ1 LYS A 83 -19.483 20.326 -14.556 1.00 13.52 H new ATOM 0 HZ2 LYS A 83 -18.430 18.996 -14.488 1.00 13.52 H new ATOM 0 HZ3 LYS A 83 -20.046 18.776 -14.960 1.00 13.52 H new ATOM 1361 N ARG A 84 -20.509 13.316 -10.402 1.00 61.42 N ATOM 1362 CA ARG A 84 -20.832 11.943 -10.008 1.00 20.21 C ATOM 1363 C ARG A 84 -21.123 11.044 -11.221 1.00 25.13 C ATOM 1364 O ARG A 84 -21.648 11.501 -12.241 1.00 2.12 O ATOM 1365 CB ARG A 84 -22.059 11.967 -9.085 1.00 3.12 C ATOM 1366 CG ARG A 84 -22.440 10.609 -8.494 1.00 51.05 C ATOM 1367 CD ARG A 84 -21.338 10.050 -7.598 1.00 74.41 C ATOM 1368 NE ARG A 84 -20.899 11.030 -6.611 1.00 62.04 N ATOM 1369 CZ ARG A 84 -20.018 10.797 -5.681 1.00 64.24 C ATOM 1370 NH1 ARG A 84 -19.515 9.613 -5.527 1.00 14.22 N ATOM 1371 NH2 ARG A 84 -19.655 11.760 -4.894 1.00 13.43 N ATOM 0 H ARG A 84 -21.326 13.914 -10.526 1.00 61.42 H new ATOM 0 HA ARG A 84 -19.966 11.527 -9.493 1.00 20.21 H new ATOM 0 HB2 ARG A 84 -21.869 12.663 -8.268 1.00 3.12 H new ATOM 0 HB3 ARG A 84 -22.910 12.356 -9.644 1.00 3.12 H new ATOM 0 HG2 ARG A 84 -23.360 10.709 -7.919 1.00 51.05 H new ATOM 0 HG3 ARG A 84 -22.643 9.906 -9.301 1.00 51.05 H new ATOM 0 HD2 ARG A 84 -21.701 9.157 -7.089 1.00 74.41 H new ATOM 0 HD3 ARG A 84 -20.490 9.745 -8.211 1.00 74.41 H new ATOM 0 HE ARG A 84 -21.311 11.962 -6.652 1.00 62.04 H new ATOM 0 HH11 ARG A 84 -19.808 8.851 -6.138 1.00 14.22 H new ATOM 0 HH12 ARG A 84 -18.826 9.443 -4.795 1.00 14.22 H new ATOM 0 HH21 ARG A 84 -20.059 12.690 -5.006 1.00 13.43 H new ATOM 0 HH22 ARG A 84 -18.966 11.588 -4.162 1.00 13.43 H new ATOM 1385 N LYS A 85 -20.775 9.762 -11.107 1.00 74.24 N ATOM 1386 CA LYS A 85 -21.206 8.759 -12.082 1.00 15.13 C ATOM 1387 C LYS A 85 -22.722 8.541 -11.966 1.00 24.24 C ATOM 1388 O LYS A 85 -23.183 7.599 -11.314 1.00 71.23 O ATOM 1389 CB LYS A 85 -20.458 7.435 -11.860 1.00 41.41 C ATOM 1390 CG LYS A 85 -18.951 7.514 -12.123 1.00 60.40 C ATOM 1391 CD LYS A 85 -18.634 7.704 -13.609 1.00 10.40 C ATOM 1392 CE LYS A 85 -19.130 6.536 -14.456 1.00 61.35 C ATOM 1393 NZ LYS A 85 -18.548 5.240 -14.020 1.00 53.42 N ATOM 0 H LYS A 85 -20.197 9.394 -10.351 1.00 74.24 H new ATOM 0 HA LYS A 85 -20.973 9.119 -13.084 1.00 15.13 H new ATOM 0 HB2 LYS A 85 -20.620 7.107 -10.833 1.00 41.41 H new ATOM 0 HB3 LYS A 85 -20.889 6.673 -12.510 1.00 41.41 H new ATOM 0 HG2 LYS A 85 -18.527 8.341 -11.554 1.00 60.40 H new ATOM 0 HG3 LYS A 85 -18.473 6.602 -11.765 1.00 60.40 H new ATOM 0 HD2 LYS A 85 -19.093 8.628 -13.962 1.00 10.40 H new ATOM 0 HD3 LYS A 85 -17.557 7.813 -13.738 1.00 10.40 H new ATOM 0 HE2 LYS A 85 -20.217 6.482 -14.397 1.00 61.35 H new ATOM 0 HE3 LYS A 85 -18.876 6.713 -15.501 1.00 61.35 H new ATOM 0 HZ1 LYS A 85 -18.775 4.505 -14.720 1.00 53.42 H new ATOM 0 HZ2 LYS A 85 -17.515 5.333 -13.938 1.00 53.42 H new ATOM 0 HZ3 LYS A 85 -18.946 4.974 -13.097 1.00 53.42 H new ATOM 1407 N LEU A 86 -23.491 9.447 -12.566 1.00 21.30 N ATOM 1408 CA LEU A 86 -24.954 9.430 -12.450 1.00 42.14 C ATOM 1409 C LEU A 86 -25.605 8.366 -13.345 1.00 60.41 C ATOM 1410 O LEU A 86 -24.947 7.737 -14.177 1.00 2.44 O ATOM 1411 CB LEU A 86 -25.527 10.834 -12.742 1.00 5.41 C ATOM 1412 CG LEU A 86 -25.006 11.536 -14.019 1.00 2.55 C ATOM 1413 CD1 LEU A 86 -25.581 10.906 -15.289 1.00 11.40 C ATOM 1414 CD2 LEU A 86 -25.311 13.033 -13.969 1.00 3.04 C ATOM 0 H LEU A 86 -23.127 10.207 -13.141 1.00 21.30 H new ATOM 0 HA LEU A 86 -25.197 9.155 -11.424 1.00 42.14 H new ATOM 0 HB2 LEU A 86 -26.611 10.752 -12.815 1.00 5.41 H new ATOM 0 HB3 LEU A 86 -25.312 11.476 -11.887 1.00 5.41 H new ATOM 0 HG LEU A 86 -23.925 11.401 -14.052 1.00 2.55 H new ATOM 0 HD11 LEU A 86 -25.191 11.428 -16.163 1.00 11.40 H new ATOM 0 HD12 LEU A 86 -25.295 9.855 -15.336 1.00 11.40 H new ATOM 0 HD13 LEU A 86 -26.668 10.986 -15.275 1.00 11.40 H new ATOM 0 HD21 LEU A 86 -24.938 13.511 -14.875 1.00 3.04 H new ATOM 0 HD22 LEU A 86 -26.388 13.183 -13.897 1.00 3.04 H new ATOM 0 HD23 LEU A 86 -24.825 13.475 -13.099 1.00 3.04 H new ATOM 1426 N GLU A 87 -26.910 8.184 -13.173 1.00 24.12 N ATOM 1427 CA GLU A 87 -27.655 7.143 -13.883 1.00 3.12 C ATOM 1428 C GLU A 87 -29.018 7.660 -14.371 1.00 53.11 C ATOM 1429 O GLU A 87 -29.392 8.807 -14.115 1.00 30.15 O ATOM 1430 CB GLU A 87 -27.863 5.926 -12.961 1.00 42.20 C ATOM 1431 CG GLU A 87 -28.742 6.203 -11.735 1.00 14.22 C ATOM 1432 CD GLU A 87 -28.133 7.208 -10.760 1.00 45.31 C ATOM 1433 OE1 GLU A 87 -27.294 6.803 -9.925 1.00 31.21 O ATOM 1434 OE2 GLU A 87 -28.488 8.407 -10.821 1.00 22.53 O ATOM 0 H GLU A 87 -27.480 8.748 -12.543 1.00 24.12 H new ATOM 0 HA GLU A 87 -27.071 6.850 -14.755 1.00 3.12 H new ATOM 0 HB2 GLU A 87 -28.312 5.119 -13.540 1.00 42.20 H new ATOM 0 HB3 GLU A 87 -26.889 5.571 -12.622 1.00 42.20 H new ATOM 0 HG2 GLU A 87 -29.710 6.575 -12.069 1.00 14.22 H new ATOM 0 HG3 GLU A 87 -28.925 5.265 -11.210 1.00 14.22 H new ATOM 1441 N THR A 88 -29.750 6.809 -15.081 1.00 75.23 N ATOM 1442 CA THR A 88 -31.114 7.128 -15.521 1.00 63.44 C ATOM 1443 C THR A 88 -31.921 5.849 -15.777 1.00 2.43 C ATOM 1444 O THR A 88 -31.579 5.041 -16.646 1.00 62.50 O ATOM 1445 CB THR A 88 -31.126 8.018 -16.796 1.00 71.32 C ATOM 1446 OG1 THR A 88 -32.477 8.231 -17.240 1.00 61.31 O ATOM 1447 CG2 THR A 88 -30.305 7.401 -17.926 1.00 14.42 C ATOM 0 H THR A 88 -29.424 5.886 -15.368 1.00 75.23 H new ATOM 0 HA THR A 88 -31.579 7.692 -14.712 1.00 63.44 H new ATOM 0 HB THR A 88 -30.672 8.973 -16.532 1.00 71.32 H new ATOM 0 HG1 THR A 88 -32.473 8.794 -18.042 1.00 61.31 H new ATOM 0 HG21 THR A 88 -30.339 8.053 -18.799 1.00 14.42 H new ATOM 0 HG22 THR A 88 -29.271 7.282 -17.602 1.00 14.42 H new ATOM 0 HG23 THR A 88 -30.718 6.426 -18.186 1.00 14.42 H new ATOM 1455 N ILE A 89 -32.974 5.645 -14.991 1.00 24.33 N ATOM 1456 CA ILE A 89 -33.823 4.456 -15.130 1.00 24.31 C ATOM 1457 C ILE A 89 -34.827 4.602 -16.286 1.00 71.03 C ATOM 1458 O ILE A 89 -35.173 5.716 -16.691 1.00 22.33 O ATOM 1459 CB ILE A 89 -34.595 4.154 -13.818 1.00 2.41 C ATOM 1460 CG1 ILE A 89 -35.519 5.327 -13.449 1.00 43.22 C ATOM 1461 CG2 ILE A 89 -33.616 3.848 -12.680 1.00 43.55 C ATOM 1462 CD1 ILE A 89 -36.378 5.067 -12.227 1.00 41.32 C ATOM 0 H ILE A 89 -33.263 6.284 -14.251 1.00 24.33 H new ATOM 0 HA ILE A 89 -33.154 3.624 -15.351 1.00 24.31 H new ATOM 0 HB ILE A 89 -35.218 3.274 -13.978 1.00 2.41 H new ATOM 0 HG12 ILE A 89 -34.911 6.215 -13.273 1.00 43.22 H new ATOM 0 HG13 ILE A 89 -36.167 5.548 -14.297 1.00 43.22 H new ATOM 0 HG21 ILE A 89 -34.173 3.638 -11.767 1.00 43.55 H new ATOM 0 HG22 ILE A 89 -33.012 2.980 -12.944 1.00 43.55 H new ATOM 0 HG23 ILE A 89 -32.965 4.708 -12.519 1.00 43.55 H new ATOM 0 HD11 ILE A 89 -37.002 5.938 -12.029 1.00 41.32 H new ATOM 0 HD12 ILE A 89 -37.013 4.199 -12.406 1.00 41.32 H new ATOM 0 HD13 ILE A 89 -35.737 4.876 -11.366 1.00 41.32 H new ATOM 1474 N VAL A 90 -35.298 3.471 -16.807 1.00 12.45 N ATOM 1475 CA VAL A 90 -36.248 3.471 -17.924 1.00 64.13 C ATOM 1476 C VAL A 90 -37.656 3.890 -17.454 1.00 21.04 C ATOM 1477 O VAL A 90 -37.946 3.896 -16.255 1.00 12.12 O ATOM 1478 CB VAL A 90 -36.308 2.078 -18.606 1.00 22.23 C ATOM 1479 CG1 VAL A 90 -37.002 1.052 -17.712 1.00 21.03 C ATOM 1480 CG2 VAL A 90 -36.982 2.165 -19.977 1.00 70.11 C ATOM 0 H VAL A 90 -35.039 2.542 -16.476 1.00 12.45 H new ATOM 0 HA VAL A 90 -35.895 4.199 -18.654 1.00 64.13 H new ATOM 0 HB VAL A 90 -35.283 1.740 -18.760 1.00 22.23 H new ATOM 0 HG11 VAL A 90 -37.028 0.087 -18.218 1.00 21.03 H new ATOM 0 HG12 VAL A 90 -36.454 0.956 -16.775 1.00 21.03 H new ATOM 0 HG13 VAL A 90 -38.020 1.380 -17.504 1.00 21.03 H new ATOM 0 HG21 VAL A 90 -37.010 1.175 -20.432 1.00 70.11 H new ATOM 0 HG22 VAL A 90 -37.999 2.540 -19.859 1.00 70.11 H new ATOM 0 HG23 VAL A 90 -36.418 2.843 -20.618 1.00 70.11 H new ATOM 1490 N GLN A 91 -38.515 4.263 -18.395 1.00 45.12 N ATOM 1491 CA GLN A 91 -39.888 4.673 -18.072 1.00 4.13 C ATOM 1492 C GLN A 91 -40.854 3.471 -18.088 1.00 53.15 C ATOM 1493 O GLN A 91 -41.523 3.212 -17.056 1.00 37.15 O ATOM 1494 CB GLN A 91 -40.355 5.751 -19.061 1.00 22.44 C ATOM 1495 CG GLN A 91 -41.734 6.329 -18.745 1.00 51.34 C ATOM 1496 CD GLN A 91 -42.123 7.469 -19.673 1.00 43.44 C ATOM 1497 OE1 GLN A 91 -41.274 8.208 -20.162 1.00 0.20 O ATOM 1498 NE2 GLN A 91 -43.408 7.619 -19.924 1.00 0.24 N ATOM 1499 OXT GLN A 91 -40.934 2.783 -19.131 1.00 37.15 O ATOM 0 H GLN A 91 -38.291 4.292 -19.390 1.00 45.12 H new ATOM 0 HA GLN A 91 -39.893 5.085 -17.063 1.00 4.13 H new ATOM 0 HB2 GLN A 91 -39.626 6.561 -19.070 1.00 22.44 H new ATOM 0 HB3 GLN A 91 -40.372 5.326 -20.065 1.00 22.44 H new ATOM 0 HG2 GLN A 91 -42.480 5.537 -18.817 1.00 51.34 H new ATOM 0 HG3 GLN A 91 -41.746 6.685 -17.715 1.00 51.34 H new ATOM 0 HE21 GLN A 91 -44.087 6.987 -19.501 1.00 0.24 H new ATOM 0 HE22 GLN A 91 -43.723 8.367 -20.541 1.00 0.24 H new TER 1508 GLN A 91