USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 719 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 70 ASN : amide:sc= 0.406 K(o=1.4,f=-3) USER MOD Set 1.2: A 82 TYR OH : rot 25:sc= 0.964 USER MOD Set 2.1: A 63 THR OG1 : rot 180:sc= -0.742 USER MOD Set 2.2: A 64 LYS NZ :NH3+ 164:sc= 0.129 (180deg=-0.208) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 159:sc= 0.144 (180deg=0.0475) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.812 X(o=-0.81,f=-1) USER MOD Single : A 4 ASN : amide:sc= -0.063 X(o=-0.063,f=-0.33) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -163:sc= -0.148 (180deg=-0.383) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.18) USER MOD Single : A 33 SER OG : rot 43:sc= 0.164 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl -159:sc= -0.0975 (180deg=-0.635) USER MOD Single : A 62 THR OG1 : rot 130:sc= -0.204 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0821 USER MOD Single : A 73 GLN : amide:sc= -2.46 K(o=-2.5,f=-3.5) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.713 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.829 6.068 -0.110 1.00 62.21 N ATOM 2 CA MET A 1 8.099 5.810 -0.779 1.00 23.11 C ATOM 3 C MET A 1 7.953 4.699 -1.814 1.00 20.12 C ATOM 4 O MET A 1 8.133 3.521 -1.504 1.00 12.34 O ATOM 5 CB MET A 1 9.171 5.431 0.245 1.00 45.53 C ATOM 6 CG MET A 1 9.913 6.628 0.818 1.00 24.22 C ATOM 7 SD MET A 1 9.034 7.398 2.191 1.00 71.20 S ATOM 8 CE MET A 1 9.413 9.126 1.909 1.00 34.42 C ATOM 0 H1 MET A 1 7.005 6.542 0.799 1.00 62.21 H new ATOM 0 H2 MET A 1 6.238 6.678 -0.710 1.00 62.21 H new ATOM 0 H3 MET A 1 6.337 5.168 0.059 1.00 62.21 H new ATOM 0 HA MET A 1 8.403 6.722 -1.292 1.00 23.11 H new ATOM 0 HB2 MET A 1 8.704 4.879 1.060 1.00 45.53 H new ATOM 0 HB3 MET A 1 9.889 4.759 -0.225 1.00 45.53 H new ATOM 0 HG2 MET A 1 10.900 6.311 1.155 1.00 24.22 H new ATOM 0 HG3 MET A 1 10.067 7.366 0.031 1.00 24.22 H new ATOM 0 HE1 MET A 1 8.938 9.733 2.680 1.00 34.42 H new ATOM 0 HE2 MET A 1 10.492 9.272 1.946 1.00 34.42 H new ATOM 0 HE3 MET A 1 9.039 9.425 0.930 1.00 34.42 H new ATOM 18 N SER A 2 7.626 5.081 -3.044 1.00 14.41 N ATOM 19 CA SER A 2 7.451 4.117 -4.123 1.00 62.34 C ATOM 20 C SER A 2 7.890 4.710 -5.459 1.00 4.15 C ATOM 21 O SER A 2 8.404 5.827 -5.514 1.00 23.14 O ATOM 22 CB SER A 2 5.990 3.671 -4.206 1.00 50.05 C ATOM 23 OG SER A 2 5.575 3.057 -2.999 1.00 32.51 O ATOM 0 H SER A 2 7.477 6.052 -3.318 1.00 14.41 H new ATOM 0 HA SER A 2 8.076 3.251 -3.907 1.00 62.34 H new ATOM 0 HB2 SER A 2 5.355 4.532 -4.417 1.00 50.05 H new ATOM 0 HB3 SER A 2 5.866 2.973 -5.034 1.00 50.05 H new ATOM 0 HG SER A 2 4.637 2.783 -3.077 1.00 32.51 H new ATOM 29 N GLN A 3 7.684 3.954 -6.532 1.00 33.33 N ATOM 30 CA GLN A 3 8.059 4.404 -7.867 1.00 11.02 C ATOM 31 C GLN A 3 6.849 4.420 -8.796 1.00 25.02 C ATOM 32 O GLN A 3 6.963 4.119 -9.983 1.00 72.41 O ATOM 33 CB GLN A 3 9.149 3.500 -8.445 1.00 43.41 C ATOM 34 CG GLN A 3 10.193 4.250 -9.257 1.00 70.15 C ATOM 35 CD GLN A 3 9.659 4.731 -10.592 1.00 53.11 C ATOM 36 OE1 GLN A 3 9.284 3.930 -11.449 1.00 50.30 O ATOM 37 NE2 GLN A 3 9.621 6.046 -10.776 1.00 33.34 N ATOM 0 H GLN A 3 7.259 3.027 -6.503 1.00 33.33 H new ATOM 0 HA GLN A 3 8.445 5.420 -7.786 1.00 11.02 H new ATOM 0 HB2 GLN A 3 9.644 2.974 -7.629 1.00 43.41 H new ATOM 0 HB3 GLN A 3 8.685 2.743 -9.077 1.00 43.41 H new ATOM 0 HG2 GLN A 3 10.549 5.105 -8.683 1.00 70.15 H new ATOM 0 HG3 GLN A 3 11.052 3.600 -9.426 1.00 70.15 H new ATOM 0 HE21 GLN A 3 9.942 6.674 -10.039 1.00 33.34 H new ATOM 0 HE22 GLN A 3 9.271 6.428 -11.655 1.00 33.34 H new ATOM 46 N ASN A 4 5.692 4.773 -8.246 1.00 40.33 N ATOM 47 CA ASN A 4 4.461 4.828 -9.026 1.00 73.50 C ATOM 48 C ASN A 4 4.026 6.272 -9.257 1.00 64.32 C ATOM 49 O ASN A 4 3.634 6.969 -8.322 1.00 71.33 O ATOM 50 CB ASN A 4 3.347 4.056 -8.314 1.00 65.04 C ATOM 51 CG ASN A 4 3.074 2.710 -8.958 1.00 4.13 C ATOM 52 OD1 ASN A 4 3.002 2.598 -10.182 1.00 20.14 O ATOM 53 ND2 ASN A 4 2.921 1.681 -8.133 1.00 71.41 N ATOM 0 H ASN A 4 5.581 5.025 -7.264 1.00 40.33 H new ATOM 0 HA ASN A 4 4.653 4.366 -9.994 1.00 73.50 H new ATOM 0 HB2 ASN A 4 3.622 3.907 -7.270 1.00 65.04 H new ATOM 0 HB3 ASN A 4 2.434 4.651 -8.322 1.00 65.04 H new ATOM 0 HD21 ASN A 4 2.735 0.750 -8.507 1.00 71.41 H new ATOM 0 HD22 ASN A 4 2.989 1.821 -7.125 1.00 71.41 H new ATOM 60 N GLU A 5 4.100 6.713 -10.509 1.00 75.21 N ATOM 61 CA GLU A 5 3.714 8.074 -10.862 1.00 71.15 C ATOM 62 C GLU A 5 2.860 8.087 -12.127 1.00 62.43 C ATOM 63 O GLU A 5 2.953 7.185 -12.959 1.00 71.14 O ATOM 64 CB GLU A 5 4.957 8.944 -11.064 1.00 34.31 C ATOM 65 CG GLU A 5 5.803 8.529 -12.255 1.00 64.42 C ATOM 66 CD GLU A 5 6.982 9.455 -12.485 1.00 14.33 C ATOM 67 OE1 GLU A 5 8.128 8.960 -12.518 1.00 75.32 O ATOM 68 OE2 GLU A 5 6.758 10.675 -12.630 1.00 41.14 O ATOM 0 H GLU A 5 4.423 6.148 -11.295 1.00 75.21 H new ATOM 0 HA GLU A 5 3.123 8.481 -10.041 1.00 71.15 H new ATOM 0 HB2 GLU A 5 4.647 9.981 -11.193 1.00 34.31 H new ATOM 0 HB3 GLU A 5 5.569 8.904 -10.163 1.00 34.31 H new ATOM 0 HG2 GLU A 5 6.168 7.514 -12.100 1.00 64.42 H new ATOM 0 HG3 GLU A 5 5.180 8.511 -13.149 1.00 64.42 H new ATOM 75 N GLU A 6 2.029 9.115 -12.263 1.00 42.30 N ATOM 76 CA GLU A 6 1.158 9.244 -13.425 1.00 41.52 C ATOM 77 C GLU A 6 0.294 7.999 -13.599 1.00 31.24 C ATOM 78 O GLU A 6 0.686 7.048 -14.275 1.00 35.05 O ATOM 79 CB GLU A 6 1.988 9.483 -14.688 1.00 60.35 C ATOM 80 CG GLU A 6 2.320 10.945 -14.932 1.00 11.31 C ATOM 81 CD GLU A 6 3.623 11.130 -15.685 1.00 51.31 C ATOM 82 OE1 GLU A 6 4.158 10.126 -16.200 1.00 34.21 O ATOM 83 OE2 GLU A 6 4.108 12.278 -15.760 1.00 11.43 O ATOM 0 H GLU A 6 1.940 9.870 -11.583 1.00 42.30 H new ATOM 0 HA GLU A 6 0.503 10.100 -13.262 1.00 41.52 H new ATOM 0 HB2 GLU A 6 2.916 8.916 -14.615 1.00 60.35 H new ATOM 0 HB3 GLU A 6 1.444 9.094 -15.549 1.00 60.35 H new ATOM 0 HG2 GLU A 6 1.510 11.408 -15.496 1.00 11.31 H new ATOM 0 HG3 GLU A 6 2.381 11.464 -13.976 1.00 11.31 H new ATOM 90 N ALA A 7 -0.884 8.012 -12.982 1.00 45.23 N ATOM 91 CA ALA A 7 -1.804 6.885 -13.069 1.00 50.40 C ATOM 92 C ALA A 7 -2.230 6.634 -14.512 1.00 1.24 C ATOM 93 O ALA A 7 -2.119 7.503 -15.377 1.00 62.42 O ATOM 94 CB ALA A 7 -3.023 7.131 -12.192 1.00 22.20 C ATOM 0 H ALA A 7 -1.223 8.791 -12.417 1.00 45.23 H new ATOM 0 HA ALA A 7 -1.285 5.996 -12.711 1.00 50.40 H new ATOM 0 HB1 ALA A 7 -3.702 6.282 -12.266 1.00 22.20 H new ATOM 0 HB2 ALA A 7 -2.707 7.254 -11.156 1.00 22.20 H new ATOM 0 HB3 ALA A 7 -3.534 8.034 -12.525 1.00 22.20 H new ATOM 100 N PRO A 8 -2.729 5.418 -14.779 1.00 2.11 N ATOM 101 CA PRO A 8 -3.181 5.025 -16.117 1.00 31.34 C ATOM 102 C PRO A 8 -4.458 5.748 -16.533 1.00 24.52 C ATOM 103 O PRO A 8 -4.622 6.117 -17.695 1.00 40.20 O ATOM 104 CB PRO A 8 -3.439 3.522 -15.976 1.00 42.33 C ATOM 105 CG PRO A 8 -3.726 3.321 -14.528 1.00 62.14 C ATOM 106 CD PRO A 8 -2.890 4.334 -13.796 1.00 32.23 C ATOM 0 HA PRO A 8 -2.449 5.276 -16.885 1.00 31.34 H new ATOM 0 HB2 PRO A 8 -4.279 3.205 -16.594 1.00 42.33 H new ATOM 0 HB3 PRO A 8 -2.573 2.940 -16.292 1.00 42.33 H new ATOM 0 HG2 PRO A 8 -4.786 3.464 -14.317 1.00 62.14 H new ATOM 0 HG3 PRO A 8 -3.472 2.308 -14.217 1.00 62.14 H new ATOM 0 HD2 PRO A 8 -3.385 4.684 -12.890 1.00 32.23 H new ATOM 0 HD3 PRO A 8 -1.928 3.919 -13.494 1.00 32.23 H new ATOM 114 N ALA A 9 -5.358 5.946 -15.576 1.00 55.21 N ATOM 115 CA ALA A 9 -6.619 6.627 -15.843 1.00 52.24 C ATOM 116 C ALA A 9 -7.400 5.923 -16.948 1.00 41.31 C ATOM 117 O ALA A 9 -8.032 6.570 -17.783 1.00 52.22 O ATOM 118 CB ALA A 9 -6.365 8.080 -16.217 1.00 53.03 C ATOM 0 H ALA A 9 -5.238 5.645 -14.609 1.00 55.21 H new ATOM 0 HA ALA A 9 -7.220 6.597 -14.934 1.00 52.24 H new ATOM 0 HB1 ALA A 9 -7.315 8.577 -16.414 1.00 53.03 H new ATOM 0 HB2 ALA A 9 -5.856 8.584 -15.395 1.00 53.03 H new ATOM 0 HB3 ALA A 9 -5.742 8.122 -17.110 1.00 53.03 H new ATOM 124 N ARG A 10 -7.351 4.595 -16.947 1.00 42.20 N ATOM 125 CA ARG A 10 -8.052 3.804 -17.951 1.00 32.03 C ATOM 126 C ARG A 10 -9.404 3.331 -17.423 1.00 41.44 C ATOM 127 O ARG A 10 -10.349 3.143 -18.189 1.00 41.34 O ATOM 128 CB ARG A 10 -7.205 2.599 -18.365 1.00 1.41 C ATOM 129 CG ARG A 10 -7.890 1.690 -19.372 1.00 10.21 C ATOM 130 CD ARG A 10 -6.902 0.733 -20.021 1.00 12.33 C ATOM 131 NE ARG A 10 -6.275 -0.152 -19.043 1.00 71.01 N ATOM 132 CZ ARG A 10 -5.658 -1.284 -19.366 1.00 14.45 C ATOM 133 NH1 ARG A 10 -5.586 -1.665 -20.633 1.00 73.12 N ATOM 134 NH2 ARG A 10 -5.112 -2.036 -18.419 1.00 1.32 N ATOM 0 H ARG A 10 -6.833 4.044 -16.262 1.00 42.20 H new ATOM 0 HA ARG A 10 -8.222 4.437 -18.822 1.00 32.03 H new ATOM 0 HB2 ARG A 10 -6.266 2.954 -18.789 1.00 1.41 H new ATOM 0 HB3 ARG A 10 -6.954 2.019 -17.477 1.00 1.41 H new ATOM 0 HG2 ARG A 10 -8.676 1.121 -18.875 1.00 10.21 H new ATOM 0 HG3 ARG A 10 -8.371 2.294 -20.141 1.00 10.21 H new ATOM 0 HD2 ARG A 10 -7.417 0.135 -20.773 1.00 12.33 H new ATOM 0 HD3 ARG A 10 -6.132 1.304 -20.540 1.00 12.33 H new ATOM 0 HE ARG A 10 -6.313 0.113 -18.059 1.00 71.01 H new ATOM 0 HH11 ARG A 10 -6.005 -1.089 -21.363 1.00 73.12 H new ATOM 0 HH12 ARG A 10 -5.112 -2.534 -20.878 1.00 73.12 H new ATOM 0 HH21 ARG A 10 -5.166 -1.745 -17.443 1.00 1.32 H new ATOM 0 HH22 ARG A 10 -4.639 -2.905 -18.667 1.00 1.32 H new ATOM 148 N SER A 11 -9.487 3.141 -16.111 1.00 14.14 N ATOM 149 CA SER A 11 -10.722 2.686 -15.481 1.00 44.31 C ATOM 150 C SER A 11 -11.839 3.706 -15.677 1.00 52.22 C ATOM 151 O SER A 11 -11.593 4.910 -15.732 1.00 55.34 O ATOM 152 CB SER A 11 -10.497 2.440 -13.988 1.00 62.10 C ATOM 153 OG SER A 11 -11.007 1.177 -13.597 1.00 11.00 O ATOM 0 H SER A 11 -8.715 3.295 -15.463 1.00 14.14 H new ATOM 0 HA SER A 11 -11.020 1.751 -15.955 1.00 44.31 H new ATOM 0 HB2 SER A 11 -9.431 2.491 -13.764 1.00 62.10 H new ATOM 0 HB3 SER A 11 -10.982 3.226 -13.409 1.00 62.10 H new ATOM 0 HG SER A 11 -10.849 1.043 -12.639 1.00 11.00 H new ATOM 159 N GLY A 12 -13.070 3.214 -15.782 1.00 61.40 N ATOM 160 CA GLY A 12 -14.208 4.094 -15.971 1.00 42.21 C ATOM 161 C GLY A 12 -14.491 4.946 -14.750 1.00 2.13 C ATOM 162 O GLY A 12 -14.546 4.439 -13.630 1.00 1.50 O ATOM 0 H GLY A 12 -13.299 2.221 -15.739 1.00 61.40 H new ATOM 0 HA2 GLY A 12 -14.024 4.742 -16.828 1.00 42.21 H new ATOM 0 HA3 GLY A 12 -15.089 3.498 -16.206 1.00 42.21 H new ATOM 166 N GLY A 13 -14.669 6.246 -14.965 1.00 13.10 N ATOM 167 CA GLY A 13 -14.944 7.150 -13.863 1.00 61.41 C ATOM 168 C GLY A 13 -13.800 8.110 -13.602 1.00 33.54 C ATOM 169 O GLY A 13 -12.648 7.695 -13.472 1.00 34.41 O ATOM 0 H GLY A 13 -14.628 6.689 -15.883 1.00 13.10 H new ATOM 0 HA2 GLY A 13 -15.849 7.718 -14.080 1.00 61.41 H new ATOM 0 HA3 GLY A 13 -15.140 6.570 -12.961 1.00 61.41 H new ATOM 173 N LYS A 14 -14.117 9.398 -13.525 1.00 61.34 N ATOM 174 CA LYS A 14 -13.108 10.421 -13.278 1.00 61.22 C ATOM 175 C LYS A 14 -13.670 11.540 -12.408 1.00 2.22 C ATOM 176 O LYS A 14 -14.783 12.015 -12.632 1.00 34.12 O ATOM 177 CB LYS A 14 -12.600 10.996 -14.602 1.00 72.04 C ATOM 178 CG LYS A 14 -11.627 10.083 -15.329 1.00 10.54 C ATOM 179 CD LYS A 14 -10.541 10.877 -16.036 1.00 70.51 C ATOM 180 CE LYS A 14 -9.266 10.937 -15.209 1.00 32.03 C ATOM 181 NZ LYS A 14 -8.892 12.338 -14.868 1.00 62.43 N ATOM 0 H LYS A 14 -15.065 9.758 -13.630 1.00 61.34 H new ATOM 0 HA LYS A 14 -12.277 9.956 -12.749 1.00 61.22 H new ATOM 0 HB2 LYS A 14 -13.452 11.196 -15.252 1.00 72.04 H new ATOM 0 HB3 LYS A 14 -12.113 11.952 -14.410 1.00 72.04 H new ATOM 0 HG2 LYS A 14 -11.171 9.395 -14.617 1.00 10.54 H new ATOM 0 HG3 LYS A 14 -12.168 9.478 -16.056 1.00 10.54 H new ATOM 0 HD2 LYS A 14 -10.327 10.422 -17.003 1.00 70.51 H new ATOM 0 HD3 LYS A 14 -10.897 11.889 -16.231 1.00 70.51 H new ATOM 0 HE2 LYS A 14 -9.401 10.363 -14.292 1.00 32.03 H new ATOM 0 HE3 LYS A 14 -8.452 10.468 -15.762 1.00 32.03 H new ATOM 0 HZ1 LYS A 14 -7.897 12.368 -14.566 1.00 62.43 H new ATOM 0 HZ2 LYS A 14 -9.019 12.944 -15.703 1.00 62.43 H new ATOM 0 HZ3 LYS A 14 -9.499 12.681 -14.096 1.00 62.43 H new ATOM 195 N VAL A 15 -12.892 11.959 -11.415 1.00 23.03 N ATOM 196 CA VAL A 15 -13.311 13.025 -10.512 1.00 61.33 C ATOM 197 C VAL A 15 -12.142 13.938 -10.160 1.00 31.22 C ATOM 198 O VAL A 15 -11.004 13.486 -10.026 1.00 72.05 O ATOM 199 CB VAL A 15 -13.914 12.456 -9.214 1.00 5.01 C ATOM 200 CG1 VAL A 15 -14.482 13.575 -8.354 1.00 74.44 C ATOM 201 CG2 VAL A 15 -14.982 11.421 -9.532 1.00 21.23 C ATOM 0 H VAL A 15 -11.968 11.576 -11.215 1.00 23.03 H new ATOM 0 HA VAL A 15 -14.074 13.602 -11.035 1.00 61.33 H new ATOM 0 HB VAL A 15 -13.121 11.964 -8.650 1.00 5.01 H new ATOM 0 HG11 VAL A 15 -14.904 13.154 -7.441 1.00 74.44 H new ATOM 0 HG12 VAL A 15 -13.687 14.276 -8.097 1.00 74.44 H new ATOM 0 HG13 VAL A 15 -15.262 14.098 -8.907 1.00 74.44 H new ATOM 0 HG21 VAL A 15 -15.397 11.030 -8.603 1.00 21.23 H new ATOM 0 HG22 VAL A 15 -15.776 11.885 -10.117 1.00 21.23 H new ATOM 0 HG23 VAL A 15 -14.539 10.605 -10.104 1.00 21.23 H new ATOM 211 N THR A 16 -12.430 15.227 -10.009 1.00 42.01 N ATOM 212 CA THR A 16 -11.403 16.205 -9.673 1.00 10.05 C ATOM 213 C THR A 16 -11.432 16.543 -8.186 1.00 42.14 C ATOM 214 O THR A 16 -12.499 16.618 -7.577 1.00 20.40 O ATOM 215 CB THR A 16 -11.574 17.502 -10.486 1.00 33.12 C ATOM 216 OG1 THR A 16 -12.318 17.236 -11.681 1.00 3.45 O ATOM 217 CG2 THR A 16 -10.222 18.097 -10.846 1.00 4.40 C ATOM 0 H THR A 16 -13.366 15.618 -10.114 1.00 42.01 H new ATOM 0 HA THR A 16 -10.443 15.753 -9.922 1.00 10.05 H new ATOM 0 HB THR A 16 -12.117 18.221 -9.873 1.00 33.12 H new ATOM 0 HG1 THR A 16 -12.424 18.066 -12.192 1.00 3.45 H new ATOM 0 HG21 THR A 16 -10.368 19.012 -11.420 1.00 4.40 H new ATOM 0 HG22 THR A 16 -9.670 18.325 -9.934 1.00 4.40 H new ATOM 0 HG23 THR A 16 -9.657 17.381 -11.443 1.00 4.40 H new ATOM 225 N PHE A 17 -10.253 16.748 -7.608 1.00 20.30 N ATOM 226 CA PHE A 17 -10.143 17.078 -6.192 1.00 33.02 C ATOM 227 C PHE A 17 -9.105 18.173 -5.968 1.00 24.04 C ATOM 228 O PHE A 17 -7.984 18.093 -6.472 1.00 54.41 O ATOM 229 CB PHE A 17 -9.771 15.833 -5.383 1.00 54.34 C ATOM 230 CG PHE A 17 -10.848 14.786 -5.366 1.00 62.13 C ATOM 231 CD1 PHE A 17 -10.543 13.456 -5.607 1.00 42.15 C ATOM 232 CD2 PHE A 17 -12.165 15.131 -5.110 1.00 1.35 C ATOM 233 CE1 PHE A 17 -11.531 12.490 -5.592 1.00 62.41 C ATOM 234 CE2 PHE A 17 -13.157 14.169 -5.092 1.00 50.35 C ATOM 235 CZ PHE A 17 -12.840 12.847 -5.335 1.00 41.03 C ATOM 0 H PHE A 17 -9.360 16.691 -8.098 1.00 20.30 H new ATOM 0 HA PHE A 17 -11.112 17.446 -5.854 1.00 33.02 H new ATOM 0 HB2 PHE A 17 -8.860 15.400 -5.796 1.00 54.34 H new ATOM 0 HB3 PHE A 17 -9.547 16.129 -4.358 1.00 54.34 H new ATOM 0 HD1 PHE A 17 -9.521 13.171 -5.809 1.00 42.15 H new ATOM 0 HD2 PHE A 17 -12.419 16.164 -4.922 1.00 1.35 H new ATOM 0 HE1 PHE A 17 -11.280 11.457 -5.781 1.00 62.41 H new ATOM 0 HE2 PHE A 17 -14.179 14.451 -4.888 1.00 50.35 H new ATOM 0 HZ PHE A 17 -13.614 12.094 -5.324 1.00 41.03 H new ATOM 245 N ARG A 18 -9.485 19.195 -5.208 1.00 33.21 N ATOM 246 CA ARG A 18 -8.589 20.307 -4.918 1.00 5.01 C ATOM 247 C ARG A 18 -8.324 20.416 -3.419 1.00 61.50 C ATOM 248 O ARG A 18 -9.256 20.465 -2.616 1.00 73.23 O ATOM 249 CB ARG A 18 -9.182 21.618 -5.438 1.00 31.41 C ATOM 250 CG ARG A 18 -9.278 21.684 -6.953 1.00 72.44 C ATOM 251 CD ARG A 18 -10.725 21.690 -7.420 1.00 75.21 C ATOM 252 NE ARG A 18 -10.868 22.265 -8.755 1.00 4.11 N ATOM 253 CZ ARG A 18 -10.695 23.555 -9.022 1.00 25.14 C ATOM 254 NH1 ARG A 18 -10.374 24.399 -8.050 1.00 70.25 N ATOM 255 NH2 ARG A 18 -10.841 24.003 -10.262 1.00 34.31 N ATOM 0 H ARG A 18 -10.408 19.275 -4.782 1.00 33.21 H new ATOM 0 HA ARG A 18 -7.642 20.118 -5.424 1.00 5.01 H new ATOM 0 HB2 ARG A 18 -10.177 21.751 -5.013 1.00 31.41 H new ATOM 0 HB3 ARG A 18 -8.571 22.449 -5.085 1.00 31.41 H new ATOM 0 HG2 ARG A 18 -8.775 22.582 -7.312 1.00 72.44 H new ATOM 0 HG3 ARG A 18 -8.757 20.831 -7.389 1.00 72.44 H new ATOM 0 HD2 ARG A 18 -11.109 20.670 -7.422 1.00 75.21 H new ATOM 0 HD3 ARG A 18 -11.331 22.258 -6.714 1.00 75.21 H new ATOM 0 HE ARG A 18 -11.114 21.642 -9.524 1.00 4.11 H new ATOM 0 HH11 ARG A 18 -10.260 24.058 -7.096 1.00 70.25 H new ATOM 0 HH12 ARG A 18 -10.242 25.389 -8.257 1.00 70.25 H new ATOM 0 HH21 ARG A 18 -11.086 23.357 -11.012 1.00 34.31 H new ATOM 0 HH22 ARG A 18 -10.708 24.994 -10.465 1.00 34.31 H new ATOM 269 N ILE A 19 -7.048 20.452 -3.050 1.00 30.42 N ATOM 270 CA ILE A 19 -6.661 20.555 -1.648 1.00 75.32 C ATOM 271 C ILE A 19 -5.745 21.751 -1.417 1.00 44.14 C ATOM 272 O ILE A 19 -4.768 21.946 -2.142 1.00 10.34 O ATOM 273 CB ILE A 19 -5.951 19.277 -1.165 1.00 22.22 C ATOM 274 CG1 ILE A 19 -4.855 18.871 -2.153 1.00 53.31 C ATOM 275 CG2 ILE A 19 -6.955 18.148 -0.986 1.00 23.20 C ATOM 276 CD1 ILE A 19 -4.025 17.696 -1.686 1.00 74.04 C ATOM 0 H ILE A 19 -6.265 20.411 -3.702 1.00 30.42 H new ATOM 0 HA ILE A 19 -7.579 20.689 -1.076 1.00 75.32 H new ATOM 0 HB ILE A 19 -5.487 19.480 -0.200 1.00 22.22 H new ATOM 0 HG12 ILE A 19 -5.314 18.624 -3.110 1.00 53.31 H new ATOM 0 HG13 ILE A 19 -4.198 19.724 -2.325 1.00 53.31 H new ATOM 0 HG21 ILE A 19 -6.437 17.252 -0.644 1.00 23.20 H new ATOM 0 HG22 ILE A 19 -7.702 18.439 -0.248 1.00 23.20 H new ATOM 0 HG23 ILE A 19 -7.446 17.943 -1.938 1.00 23.20 H new ATOM 0 HD11 ILE A 19 -3.269 17.464 -2.436 1.00 74.04 H new ATOM 0 HD12 ILE A 19 -3.537 17.947 -0.744 1.00 74.04 H new ATOM 0 HD13 ILE A 19 -4.670 16.829 -1.541 1.00 74.04 H new ATOM 288 N ILE A 20 -6.065 22.548 -0.403 1.00 62.14 N ATOM 289 CA ILE A 20 -5.268 23.724 -0.075 1.00 71.53 C ATOM 290 C ILE A 20 -4.667 23.608 1.321 1.00 23.22 C ATOM 291 O ILE A 20 -5.389 23.510 2.314 1.00 10.32 O ATOM 292 CB ILE A 20 -6.107 25.013 -0.155 1.00 71.54 C ATOM 293 CG1 ILE A 20 -5.272 26.218 0.281 1.00 15.30 C ATOM 294 CG2 ILE A 20 -7.355 24.886 0.705 1.00 55.20 C ATOM 295 CD1 ILE A 20 -5.532 27.462 -0.540 1.00 15.13 C ATOM 0 H ILE A 20 -6.870 22.401 0.205 1.00 62.14 H new ATOM 0 HA ILE A 20 -4.465 23.777 -0.811 1.00 71.53 H new ATOM 0 HB ILE A 20 -6.417 25.165 -1.189 1.00 71.54 H new ATOM 0 HG12 ILE A 20 -5.480 26.434 1.329 1.00 15.30 H new ATOM 0 HG13 ILE A 20 -4.215 25.961 0.212 1.00 15.30 H new ATOM 0 HG21 ILE A 20 -7.938 25.805 0.638 1.00 55.20 H new ATOM 0 HG22 ILE A 20 -7.956 24.048 0.352 1.00 55.20 H new ATOM 0 HG23 ILE A 20 -7.066 24.714 1.742 1.00 55.20 H new ATOM 0 HD11 ILE A 20 -4.906 28.276 -0.175 1.00 15.13 H new ATOM 0 HD12 ILE A 20 -5.297 27.264 -1.586 1.00 15.13 H new ATOM 0 HD13 ILE A 20 -6.581 27.744 -0.452 1.00 15.13 H new ATOM 307 N LEU A 21 -3.340 23.621 1.391 1.00 72.11 N ATOM 308 CA LEU A 21 -2.640 23.519 2.667 1.00 40.33 C ATOM 309 C LEU A 21 -2.259 24.900 3.190 1.00 43.40 C ATOM 310 O LEU A 21 -2.163 25.862 2.426 1.00 24.41 O ATOM 311 CB LEU A 21 -1.387 22.655 2.516 1.00 71.31 C ATOM 312 CG LEU A 21 -1.101 21.682 3.661 1.00 42.52 C ATOM 313 CD1 LEU A 21 -1.040 20.253 3.145 1.00 54.22 C ATOM 314 CD2 LEU A 21 0.197 22.053 4.363 1.00 2.23 C ATOM 0 H LEU A 21 -2.727 23.701 0.579 1.00 72.11 H new ATOM 0 HA LEU A 21 -3.312 23.051 3.386 1.00 40.33 H new ATOM 0 HB2 LEU A 21 -1.474 22.083 1.592 1.00 71.31 H new ATOM 0 HB3 LEU A 21 -0.527 23.315 2.403 1.00 71.31 H new ATOM 0 HG LEU A 21 -1.915 21.751 4.383 1.00 42.52 H new ATOM 0 HD11 LEU A 21 -0.836 19.575 3.974 1.00 54.22 H new ATOM 0 HD12 LEU A 21 -1.994 19.990 2.688 1.00 54.22 H new ATOM 0 HD13 LEU A 21 -0.246 20.168 2.403 1.00 54.22 H new ATOM 0 HD21 LEU A 21 0.385 21.351 5.175 1.00 2.23 H new ATOM 0 HD22 LEU A 21 1.021 22.013 3.650 1.00 2.23 H new ATOM 0 HD23 LEU A 21 0.116 23.062 4.768 1.00 2.23 H new ATOM 326 N THR A 22 -2.040 24.992 4.498 1.00 0.51 N ATOM 327 CA THR A 22 -1.668 26.255 5.124 1.00 61.01 C ATOM 328 C THR A 22 -0.155 26.372 5.268 1.00 1.31 C ATOM 329 O THR A 22 0.402 27.468 5.198 1.00 72.12 O ATOM 330 CB THR A 22 -2.318 26.407 6.512 1.00 1.01 C ATOM 331 OG1 THR A 22 -2.021 27.699 7.053 1.00 23.04 O ATOM 332 CG2 THR A 22 -1.823 25.327 7.463 1.00 42.35 C ATOM 0 H THR A 22 -2.114 24.207 5.145 1.00 0.51 H new ATOM 0 HA THR A 22 -2.031 27.050 4.472 1.00 61.01 H new ATOM 0 HB THR A 22 -3.397 26.301 6.397 1.00 1.01 H new ATOM 0 HG1 THR A 22 -2.439 27.788 7.935 1.00 23.04 H new ATOM 0 HG21 THR A 22 -2.296 25.455 8.437 1.00 42.35 H new ATOM 0 HG22 THR A 22 -2.077 24.345 7.063 1.00 42.35 H new ATOM 0 HG23 THR A 22 -0.741 25.406 7.572 1.00 42.35 H new ATOM 340 N SER A 23 0.506 25.237 5.470 1.00 74.53 N ATOM 341 CA SER A 23 1.955 25.213 5.627 1.00 61.30 C ATOM 342 C SER A 23 2.650 25.279 4.270 1.00 32.43 C ATOM 343 O SER A 23 3.843 25.567 4.186 1.00 21.10 O ATOM 344 CB SER A 23 2.388 23.949 6.373 1.00 14.34 C ATOM 345 OG SER A 23 3.669 24.114 6.955 1.00 0.34 O ATOM 0 H SER A 23 0.061 24.321 5.529 1.00 74.53 H new ATOM 0 HA SER A 23 2.247 26.088 6.208 1.00 61.30 H new ATOM 0 HB2 SER A 23 1.660 23.714 7.149 1.00 14.34 H new ATOM 0 HB3 SER A 23 2.404 23.104 5.685 1.00 14.34 H new ATOM 0 HG SER A 23 3.922 23.293 7.427 1.00 0.34 H new ATOM 351 N GLU A 24 1.893 25.009 3.211 1.00 20.21 N ATOM 352 CA GLU A 24 2.436 25.036 1.858 1.00 1.41 C ATOM 353 C GLU A 24 2.150 26.376 1.184 1.00 24.44 C ATOM 354 O GLU A 24 1.568 26.426 0.101 1.00 32.40 O ATOM 355 CB GLU A 24 1.846 23.897 1.024 1.00 14.44 C ATOM 356 CG GLU A 24 2.793 23.367 -0.038 1.00 70.54 C ATOM 357 CD GLU A 24 4.079 22.818 0.548 1.00 3.21 C ATOM 358 OE1 GLU A 24 5.144 23.009 -0.076 1.00 50.14 O ATOM 359 OE2 GLU A 24 4.022 22.199 1.631 1.00 73.54 O ATOM 0 H GLU A 24 0.903 24.769 3.264 1.00 20.21 H new ATOM 0 HA GLU A 24 3.516 24.905 1.925 1.00 1.41 H new ATOM 0 HB2 GLU A 24 1.564 23.080 1.688 1.00 14.44 H new ATOM 0 HB3 GLU A 24 0.932 24.246 0.543 1.00 14.44 H new ATOM 0 HG2 GLU A 24 2.293 22.582 -0.606 1.00 70.54 H new ATOM 0 HG3 GLU A 24 3.030 24.167 -0.740 1.00 70.54 H new ATOM 366 N ARG A 25 2.564 27.458 1.834 1.00 2.44 N ATOM 367 CA ARG A 25 2.352 28.798 1.300 1.00 14.10 C ATOM 368 C ARG A 25 3.089 28.979 -0.023 1.00 62.15 C ATOM 369 O ARG A 25 2.799 29.900 -0.786 1.00 41.34 O ATOM 370 CB ARG A 25 2.820 29.852 2.305 1.00 23.44 C ATOM 371 CG ARG A 25 4.284 29.717 2.691 1.00 63.40 C ATOM 372 CD ARG A 25 4.911 31.071 2.980 1.00 3.53 C ATOM 373 NE ARG A 25 5.521 31.120 4.306 1.00 5.33 N ATOM 374 CZ ARG A 25 6.363 32.072 4.693 1.00 3.23 C ATOM 375 NH1 ARG A 25 6.693 33.049 3.860 1.00 14.41 N ATOM 376 NH2 ARG A 25 6.877 32.048 5.917 1.00 61.05 N ATOM 0 H ARG A 25 3.048 27.433 2.731 1.00 2.44 H new ATOM 0 HA ARG A 25 1.284 28.925 1.122 1.00 14.10 H new ATOM 0 HB2 ARG A 25 2.654 30.843 1.883 1.00 23.44 H new ATOM 0 HB3 ARG A 25 2.208 29.782 3.204 1.00 23.44 H new ATOM 0 HG2 ARG A 25 4.372 29.079 3.570 1.00 63.40 H new ATOM 0 HG3 ARG A 25 4.830 29.227 1.885 1.00 63.40 H new ATOM 0 HD2 ARG A 25 5.667 31.289 2.225 1.00 3.53 H new ATOM 0 HD3 ARG A 25 4.150 31.847 2.902 1.00 3.53 H new ATOM 0 HE ARG A 25 5.288 30.383 4.971 1.00 5.33 H new ATOM 0 HH11 ARG A 25 6.300 33.071 2.919 1.00 14.41 H new ATOM 0 HH12 ARG A 25 7.340 33.778 4.160 1.00 14.41 H new ATOM 0 HH21 ARG A 25 6.626 31.298 6.561 1.00 61.05 H new ATOM 0 HH22 ARG A 25 7.523 32.779 6.213 1.00 61.05 H new ATOM 390 N SER A 26 4.044 28.093 -0.288 1.00 43.35 N ATOM 391 CA SER A 26 4.827 28.158 -1.517 1.00 74.54 C ATOM 392 C SER A 26 3.921 28.079 -2.743 1.00 30.43 C ATOM 393 O SER A 26 4.201 28.688 -3.774 1.00 40.42 O ATOM 394 CB SER A 26 5.853 27.023 -1.554 1.00 13.43 C ATOM 395 OG SER A 26 6.596 27.046 -2.760 1.00 52.31 O ATOM 0 H SER A 26 4.294 27.322 0.331 1.00 43.35 H new ATOM 0 HA SER A 26 5.351 29.113 -1.534 1.00 74.54 H new ATOM 0 HB2 SER A 26 6.530 27.113 -0.704 1.00 13.43 H new ATOM 0 HB3 SER A 26 5.343 26.065 -1.456 1.00 13.43 H new ATOM 0 HG SER A 26 7.245 26.312 -2.758 1.00 52.31 H new ATOM 401 N GLN A 27 2.835 27.323 -2.620 1.00 34.21 N ATOM 402 CA GLN A 27 1.888 27.163 -3.717 1.00 72.02 C ATOM 403 C GLN A 27 0.685 26.333 -3.282 1.00 31.43 C ATOM 404 O GLN A 27 0.482 25.205 -3.732 1.00 63.04 O ATOM 405 CB GLN A 27 2.571 26.503 -4.916 1.00 71.02 C ATOM 406 CG GLN A 27 1.960 26.890 -6.253 1.00 44.24 C ATOM 407 CD GLN A 27 2.109 28.368 -6.557 1.00 25.10 C ATOM 408 OE1 GLN A 27 1.123 29.072 -6.774 1.00 35.42 O ATOM 409 NE2 GLN A 27 3.348 28.847 -6.574 1.00 12.10 N ATOM 0 H GLN A 27 2.589 26.812 -1.772 1.00 34.21 H new ATOM 0 HA GLN A 27 1.537 28.153 -4.007 1.00 72.02 H new ATOM 0 HB2 GLN A 27 3.627 26.774 -4.916 1.00 71.02 H new ATOM 0 HB3 GLN A 27 2.520 25.420 -4.802 1.00 71.02 H new ATOM 0 HG2 GLN A 27 2.433 26.310 -7.046 1.00 44.24 H new ATOM 0 HG3 GLN A 27 0.902 26.628 -6.254 1.00 44.24 H new ATOM 0 HE21 GLN A 27 4.137 28.228 -6.388 1.00 12.10 H new ATOM 0 HE22 GLN A 27 3.510 29.834 -6.773 1.00 12.10 H new ATOM 418 N PRO A 28 -0.133 26.901 -2.384 1.00 13.13 N ATOM 419 CA PRO A 28 -1.330 26.231 -1.868 1.00 35.33 C ATOM 420 C PRO A 28 -2.422 26.099 -2.924 1.00 61.24 C ATOM 421 O PRO A 28 -3.390 26.859 -2.929 1.00 53.03 O ATOM 422 CB PRO A 28 -1.792 27.151 -0.735 1.00 23.24 C ATOM 423 CG PRO A 28 -1.255 28.493 -1.095 1.00 14.23 C ATOM 424 CD PRO A 28 0.047 28.242 -1.803 1.00 51.44 C ATOM 0 HA PRO A 28 -1.119 25.211 -1.548 1.00 35.33 H new ATOM 0 HB2 PRO A 28 -2.879 27.167 -0.657 1.00 23.24 H new ATOM 0 HB3 PRO A 28 -1.408 26.816 0.229 1.00 23.24 H new ATOM 0 HG2 PRO A 28 -1.951 29.032 -1.738 1.00 14.23 H new ATOM 0 HG3 PRO A 28 -1.104 29.104 -0.205 1.00 14.23 H new ATOM 0 HD2 PRO A 28 0.237 28.991 -2.572 1.00 51.44 H new ATOM 0 HD3 PRO A 28 0.891 28.271 -1.114 1.00 51.44 H new ATOM 432 N PHE A 29 -2.259 25.129 -3.818 1.00 54.04 N ATOM 433 CA PHE A 29 -3.231 24.898 -4.881 1.00 32.12 C ATOM 434 C PHE A 29 -2.853 23.672 -5.706 1.00 71.35 C ATOM 435 O PHE A 29 -2.634 23.767 -6.914 1.00 60.12 O ATOM 436 CB PHE A 29 -3.329 26.127 -5.787 1.00 74.33 C ATOM 437 CG PHE A 29 -4.681 26.299 -6.420 1.00 21.35 C ATOM 438 CD1 PHE A 29 -4.913 25.872 -7.717 1.00 21.50 C ATOM 439 CD2 PHE A 29 -5.719 26.888 -5.717 1.00 13.15 C ATOM 440 CE1 PHE A 29 -6.156 26.028 -8.302 1.00 25.03 C ATOM 441 CE2 PHE A 29 -6.964 27.047 -6.296 1.00 20.22 C ATOM 442 CZ PHE A 29 -7.182 26.617 -7.590 1.00 51.43 C ATOM 0 H PHE A 29 -1.464 24.491 -3.828 1.00 54.04 H new ATOM 0 HA PHE A 29 -4.202 24.718 -4.419 1.00 32.12 H new ATOM 0 HB2 PHE A 29 -3.093 27.018 -5.204 1.00 74.33 H new ATOM 0 HB3 PHE A 29 -2.576 26.051 -6.572 1.00 74.33 H new ATOM 0 HD1 PHE A 29 -4.113 25.412 -8.278 1.00 21.50 H new ATOM 0 HD2 PHE A 29 -5.554 27.227 -4.705 1.00 13.15 H new ATOM 0 HE1 PHE A 29 -6.324 25.690 -9.314 1.00 25.03 H new ATOM 0 HE2 PHE A 29 -7.765 27.507 -5.737 1.00 20.22 H new ATOM 0 HZ PHE A 29 -8.154 26.741 -8.045 1.00 51.43 H new ATOM 452 N ARG A 30 -2.778 22.521 -5.046 1.00 10.13 N ATOM 453 CA ARG A 30 -2.425 21.276 -5.717 1.00 43.11 C ATOM 454 C ARG A 30 -3.676 20.521 -6.156 1.00 41.11 C ATOM 455 O ARG A 30 -4.478 20.093 -5.327 1.00 34.44 O ATOM 456 CB ARG A 30 -1.582 20.395 -4.793 1.00 72.21 C ATOM 457 CG ARG A 30 -1.042 19.145 -5.469 1.00 51.21 C ATOM 458 CD ARG A 30 -0.160 19.492 -6.658 1.00 43.10 C ATOM 459 NE ARG A 30 1.174 18.909 -6.538 1.00 41.42 N ATOM 460 CZ ARG A 30 2.200 19.258 -7.307 1.00 20.04 C ATOM 461 NH1 ARG A 30 2.046 20.182 -8.245 1.00 30.11 N ATOM 462 NH2 ARG A 30 3.383 18.682 -7.137 1.00 4.22 N ATOM 0 H ARG A 30 -2.957 22.425 -4.046 1.00 10.13 H new ATOM 0 HA ARG A 30 -1.841 21.523 -6.604 1.00 43.11 H new ATOM 0 HB2 ARG A 30 -0.746 20.980 -4.410 1.00 72.21 H new ATOM 0 HB3 ARG A 30 -2.186 20.101 -3.934 1.00 72.21 H new ATOM 0 HG2 ARG A 30 -0.470 18.559 -4.749 1.00 51.21 H new ATOM 0 HG3 ARG A 30 -1.872 18.521 -5.800 1.00 51.21 H new ATOM 0 HD2 ARG A 30 -0.630 19.136 -7.575 1.00 43.10 H new ATOM 0 HD3 ARG A 30 -0.076 20.575 -6.743 1.00 43.10 H new ATOM 0 HE ARG A 30 1.326 18.195 -5.825 1.00 41.42 H new ATOM 0 HH11 ARG A 30 1.138 20.627 -8.378 1.00 30.11 H new ATOM 0 HH12 ARG A 30 2.835 20.448 -8.834 1.00 30.11 H new ATOM 0 HH21 ARG A 30 3.505 17.971 -6.416 1.00 4.22 H new ATOM 0 HH22 ARG A 30 4.170 18.950 -7.727 1.00 4.22 H new ATOM 476 N VAL A 31 -3.836 20.362 -7.466 1.00 40.32 N ATOM 477 CA VAL A 31 -4.989 19.659 -8.016 1.00 23.12 C ATOM 478 C VAL A 31 -4.641 18.213 -8.351 1.00 74.22 C ATOM 479 O VAL A 31 -3.586 17.934 -8.921 1.00 74.45 O ATOM 480 CB VAL A 31 -5.519 20.355 -9.283 1.00 51.12 C ATOM 481 CG1 VAL A 31 -4.498 20.268 -10.408 1.00 34.34 C ATOM 482 CG2 VAL A 31 -6.847 19.747 -9.709 1.00 22.42 C ATOM 0 H VAL A 31 -3.181 20.711 -8.166 1.00 40.32 H new ATOM 0 HA VAL A 31 -5.765 19.675 -7.251 1.00 23.12 H new ATOM 0 HB VAL A 31 -5.684 21.408 -9.055 1.00 51.12 H new ATOM 0 HG11 VAL A 31 -4.891 20.765 -11.295 1.00 34.34 H new ATOM 0 HG12 VAL A 31 -3.573 20.755 -10.098 1.00 34.34 H new ATOM 0 HG13 VAL A 31 -4.298 19.221 -10.638 1.00 34.34 H new ATOM 0 HG21 VAL A 31 -7.207 20.251 -10.606 1.00 22.42 H new ATOM 0 HG22 VAL A 31 -6.711 18.686 -9.919 1.00 22.42 H new ATOM 0 HG23 VAL A 31 -7.576 19.868 -8.908 1.00 22.42 H new ATOM 492 N ILE A 32 -5.536 17.297 -7.994 1.00 3.30 N ATOM 493 CA ILE A 32 -5.324 15.880 -8.259 1.00 33.44 C ATOM 494 C ILE A 32 -6.546 15.257 -8.926 1.00 62.12 C ATOM 495 O ILE A 32 -7.681 15.499 -8.516 1.00 40.24 O ATOM 496 CB ILE A 32 -5.010 15.106 -6.964 1.00 53.05 C ATOM 497 CG1 ILE A 32 -6.028 15.455 -5.876 1.00 60.44 C ATOM 498 CG2 ILE A 32 -3.597 15.413 -6.493 1.00 42.54 C ATOM 499 CD1 ILE A 32 -5.629 16.647 -5.036 1.00 10.14 C ATOM 0 H ILE A 32 -6.414 17.511 -7.521 1.00 3.30 H new ATOM 0 HA ILE A 32 -4.469 15.809 -8.932 1.00 33.44 H new ATOM 0 HB ILE A 32 -5.079 14.038 -7.171 1.00 53.05 H new ATOM 0 HG12 ILE A 32 -6.992 15.656 -6.343 1.00 60.44 H new ATOM 0 HG13 ILE A 32 -6.163 14.591 -5.225 1.00 60.44 H new ATOM 0 HG21 ILE A 32 -3.390 14.859 -5.577 1.00 42.54 H new ATOM 0 HG22 ILE A 32 -2.885 15.119 -7.264 1.00 42.54 H new ATOM 0 HG23 ILE A 32 -3.502 16.482 -6.300 1.00 42.54 H new ATOM 0 HD11 ILE A 32 -6.397 16.837 -4.286 1.00 10.14 H new ATOM 0 HD12 ILE A 32 -4.680 16.442 -4.541 1.00 10.14 H new ATOM 0 HD13 ILE A 32 -5.522 17.523 -5.675 1.00 10.14 H new ATOM 511 N SER A 33 -6.305 14.452 -9.956 1.00 64.00 N ATOM 512 CA SER A 33 -7.385 13.795 -10.682 1.00 52.23 C ATOM 513 C SER A 33 -7.345 12.285 -10.467 1.00 14.32 C ATOM 514 O SER A 33 -6.353 11.628 -10.782 1.00 3.50 O ATOM 515 CB SER A 33 -7.290 14.111 -12.176 1.00 42.22 C ATOM 516 OG SER A 33 -5.985 13.859 -12.668 1.00 51.45 O ATOM 0 H SER A 33 -5.371 14.239 -10.306 1.00 64.00 H new ATOM 0 HA SER A 33 -8.331 14.174 -10.297 1.00 52.23 H new ATOM 0 HB2 SER A 33 -8.012 13.507 -12.725 1.00 42.22 H new ATOM 0 HB3 SER A 33 -7.552 15.155 -12.348 1.00 42.22 H new ATOM 0 HG SER A 33 -5.656 13.011 -12.304 1.00 51.45 H new ATOM 522 N ILE A 34 -8.432 11.742 -9.928 1.00 3.32 N ATOM 523 CA ILE A 34 -8.522 10.310 -9.671 1.00 11.42 C ATOM 524 C ILE A 34 -9.912 9.779 -10.003 1.00 71.15 C ATOM 525 O ILE A 34 -10.893 10.521 -9.981 1.00 53.22 O ATOM 526 CB ILE A 34 -8.197 9.980 -8.202 1.00 45.32 C ATOM 527 CG1 ILE A 34 -6.973 10.773 -7.738 1.00 22.22 C ATOM 528 CG2 ILE A 34 -7.962 8.487 -8.035 1.00 22.55 C ATOM 529 CD1 ILE A 34 -7.318 12.108 -7.117 1.00 1.22 C ATOM 0 H ILE A 34 -9.262 12.272 -9.661 1.00 3.32 H new ATOM 0 HA ILE A 34 -7.787 9.827 -10.315 1.00 11.42 H new ATOM 0 HB ILE A 34 -9.048 10.266 -7.583 1.00 45.32 H new ATOM 0 HG12 ILE A 34 -6.417 10.177 -7.014 1.00 22.22 H new ATOM 0 HG13 ILE A 34 -6.312 10.937 -8.589 1.00 22.22 H new ATOM 0 HG21 ILE A 34 -7.733 8.269 -6.992 1.00 22.55 H new ATOM 0 HG22 ILE A 34 -8.858 7.942 -8.332 1.00 22.55 H new ATOM 0 HG23 ILE A 34 -7.126 8.178 -8.662 1.00 22.55 H new ATOM 0 HD11 ILE A 34 -6.403 12.615 -6.812 1.00 1.22 H new ATOM 0 HD12 ILE A 34 -7.847 12.722 -7.846 1.00 1.22 H new ATOM 0 HD13 ILE A 34 -7.954 11.951 -6.246 1.00 1.22 H new ATOM 541 N ALA A 35 -9.988 8.488 -10.310 1.00 73.01 N ATOM 542 CA ALA A 35 -11.259 7.856 -10.644 1.00 24.35 C ATOM 543 C ALA A 35 -12.220 7.897 -9.460 1.00 42.44 C ATOM 544 O ALA A 35 -11.797 7.871 -8.305 1.00 71.11 O ATOM 545 CB ALA A 35 -11.032 6.419 -11.091 1.00 43.33 C ATOM 0 H ALA A 35 -9.185 7.860 -10.334 1.00 73.01 H new ATOM 0 HA ALA A 35 -11.710 8.414 -11.465 1.00 24.35 H new ATOM 0 HB1 ALA A 35 -11.989 5.959 -11.337 1.00 43.33 H new ATOM 0 HB2 ALA A 35 -10.388 6.409 -11.970 1.00 43.33 H new ATOM 0 HB3 ALA A 35 -10.556 5.858 -10.286 1.00 43.33 H new ATOM 551 N GLU A 36 -13.514 7.963 -9.757 1.00 41.42 N ATOM 552 CA GLU A 36 -14.534 8.010 -8.717 1.00 12.55 C ATOM 553 C GLU A 36 -14.480 6.759 -7.845 1.00 10.34 C ATOM 554 O GLU A 36 -14.933 6.768 -6.701 1.00 1.15 O ATOM 555 CB GLU A 36 -15.924 8.151 -9.340 1.00 54.11 C ATOM 556 CG GLU A 36 -17.029 8.374 -8.321 1.00 1.31 C ATOM 557 CD GLU A 36 -18.400 8.482 -8.960 1.00 63.42 C ATOM 558 OE1 GLU A 36 -18.470 8.831 -10.157 1.00 44.42 O ATOM 559 OE2 GLU A 36 -19.402 8.216 -8.264 1.00 40.34 O ATOM 0 H GLU A 36 -13.880 7.985 -10.709 1.00 41.42 H new ATOM 0 HA GLU A 36 -14.336 8.879 -8.089 1.00 12.55 H new ATOM 0 HB2 GLU A 36 -15.915 8.985 -10.042 1.00 54.11 H new ATOM 0 HB3 GLU A 36 -16.148 7.253 -9.915 1.00 54.11 H new ATOM 0 HG2 GLU A 36 -17.030 7.552 -7.606 1.00 1.31 H new ATOM 0 HG3 GLU A 36 -16.821 9.285 -7.759 1.00 1.31 H new ATOM 566 N GLU A 37 -13.923 5.685 -8.395 1.00 72.02 N ATOM 567 CA GLU A 37 -13.811 4.426 -7.668 1.00 73.12 C ATOM 568 C GLU A 37 -12.348 4.057 -7.442 1.00 31.34 C ATOM 569 O GLU A 37 -12.038 2.957 -6.985 1.00 31.04 O ATOM 570 CB GLU A 37 -14.519 3.305 -8.433 1.00 10.32 C ATOM 571 CG GLU A 37 -15.953 3.075 -7.986 1.00 22.32 C ATOM 572 CD GLU A 37 -16.359 1.615 -8.057 1.00 5.32 C ATOM 573 OE1 GLU A 37 -16.209 1.011 -9.139 1.00 64.42 O ATOM 574 OE2 GLU A 37 -16.826 1.078 -7.031 1.00 2.20 O ATOM 0 H GLU A 37 -13.542 5.661 -9.341 1.00 72.02 H new ATOM 0 HA GLU A 37 -14.290 4.552 -6.697 1.00 73.12 H new ATOM 0 HB2 GLU A 37 -14.512 3.542 -9.497 1.00 10.32 H new ATOM 0 HB3 GLU A 37 -13.956 2.380 -8.309 1.00 10.32 H new ATOM 0 HG2 GLU A 37 -16.073 3.432 -6.963 1.00 22.32 H new ATOM 0 HG3 GLU A 37 -16.623 3.666 -8.610 1.00 22.32 H new ATOM 581 N ALA A 38 -11.453 4.984 -7.766 1.00 0.04 N ATOM 582 CA ALA A 38 -10.023 4.758 -7.597 1.00 30.45 C ATOM 583 C ALA A 38 -9.584 5.063 -6.168 1.00 61.05 C ATOM 584 O ALA A 38 -10.209 5.848 -5.455 1.00 74.15 O ATOM 585 CB ALA A 38 -9.234 5.603 -8.586 1.00 32.05 C ATOM 0 H ALA A 38 -11.693 5.899 -8.147 1.00 0.04 H new ATOM 0 HA ALA A 38 -9.821 3.705 -7.794 1.00 30.45 H new ATOM 0 HB1 ALA A 38 -8.168 5.424 -8.448 1.00 32.05 H new ATOM 0 HB2 ALA A 38 -9.519 5.334 -9.603 1.00 32.05 H new ATOM 0 HB3 ALA A 38 -9.450 6.658 -8.416 1.00 32.05 H new ATOM 591 N PRO A 39 -8.483 4.429 -5.739 1.00 30.34 N ATOM 592 CA PRO A 39 -7.936 4.617 -4.392 1.00 30.03 C ATOM 593 C PRO A 39 -7.331 6.003 -4.200 1.00 42.43 C ATOM 594 O PRO A 39 -6.908 6.646 -5.163 1.00 24.45 O ATOM 595 CB PRO A 39 -6.851 3.542 -4.296 1.00 64.12 C ATOM 596 CG PRO A 39 -6.447 3.285 -5.707 1.00 22.10 C ATOM 597 CD PRO A 39 -7.687 3.479 -6.535 1.00 11.34 C ATOM 0 HA PRO A 39 -8.706 4.535 -3.625 1.00 30.03 H new ATOM 0 HB2 PRO A 39 -6.006 3.884 -3.698 1.00 64.12 H new ATOM 0 HB3 PRO A 39 -7.231 2.637 -3.822 1.00 64.12 H new ATOM 0 HG2 PRO A 39 -5.659 3.971 -6.018 1.00 22.10 H new ATOM 0 HG3 PRO A 39 -6.055 2.275 -5.823 1.00 22.10 H new ATOM 0 HD2 PRO A 39 -7.453 3.879 -7.522 1.00 11.34 H new ATOM 0 HD3 PRO A 39 -8.218 2.540 -6.689 1.00 11.34 H new ATOM 605 N LEU A 40 -7.292 6.460 -2.953 1.00 72.14 N ATOM 606 CA LEU A 40 -6.738 7.771 -2.636 1.00 3.34 C ATOM 607 C LEU A 40 -5.238 7.810 -2.912 1.00 51.02 C ATOM 608 O LEU A 40 -4.672 8.870 -3.182 1.00 11.02 O ATOM 609 CB LEU A 40 -7.007 8.119 -1.170 1.00 43.25 C ATOM 610 CG LEU A 40 -6.446 9.456 -0.684 1.00 63.20 C ATOM 611 CD1 LEU A 40 -7.475 10.562 -0.857 1.00 34.52 C ATOM 612 CD2 LEU A 40 -6.009 9.353 0.770 1.00 12.52 C ATOM 0 H LEU A 40 -7.638 5.942 -2.145 1.00 72.14 H new ATOM 0 HA LEU A 40 -7.226 8.508 -3.274 1.00 3.34 H new ATOM 0 HB2 LEU A 40 -8.085 8.120 -1.010 1.00 43.25 H new ATOM 0 HB3 LEU A 40 -6.593 7.326 -0.547 1.00 43.25 H new ATOM 0 HG LEU A 40 -5.573 9.704 -1.288 1.00 63.20 H new ATOM 0 HD11 LEU A 40 -7.058 11.506 -0.506 1.00 34.52 H new ATOM 0 HD12 LEU A 40 -7.739 10.652 -1.911 1.00 34.52 H new ATOM 0 HD13 LEU A 40 -8.367 10.322 -0.279 1.00 34.52 H new ATOM 0 HD21 LEU A 40 -5.612 10.313 1.100 1.00 12.52 H new ATOM 0 HD22 LEU A 40 -6.865 9.082 1.389 1.00 12.52 H new ATOM 0 HD23 LEU A 40 -5.237 8.590 0.865 1.00 12.52 H new ATOM 624 N THR A 41 -4.599 6.646 -2.846 1.00 1.23 N ATOM 625 CA THR A 41 -3.166 6.546 -3.090 1.00 4.31 C ATOM 626 C THR A 41 -2.779 7.246 -4.388 1.00 1.23 C ATOM 627 O THR A 41 -1.670 7.763 -4.519 1.00 24.43 O ATOM 628 CB THR A 41 -2.708 5.077 -3.156 1.00 50.01 C ATOM 629 OG1 THR A 41 -1.281 5.012 -3.254 1.00 41.34 O ATOM 630 CG2 THR A 41 -3.336 4.368 -4.346 1.00 71.24 C ATOM 0 H THR A 41 -5.052 5.759 -2.625 1.00 1.23 H new ATOM 0 HA THR A 41 -2.668 7.036 -2.253 1.00 4.31 H new ATOM 0 HB THR A 41 -3.032 4.577 -2.243 1.00 50.01 H new ATOM 0 HG1 THR A 41 -0.998 4.075 -3.294 1.00 41.34 H new ATOM 0 HG21 THR A 41 -2.998 3.332 -4.372 1.00 71.24 H new ATOM 0 HG22 THR A 41 -4.422 4.393 -4.253 1.00 71.24 H new ATOM 0 HG23 THR A 41 -3.039 4.870 -5.267 1.00 71.24 H new ATOM 638 N ALA A 42 -3.701 7.260 -5.345 1.00 30.04 N ATOM 639 CA ALA A 42 -3.457 7.899 -6.632 1.00 1.34 C ATOM 640 C ALA A 42 -3.143 9.381 -6.458 1.00 4.34 C ATOM 641 O ALA A 42 -2.220 9.907 -7.079 1.00 62.13 O ATOM 642 CB ALA A 42 -4.658 7.716 -7.548 1.00 3.51 C ATOM 0 H ALA A 42 -4.624 6.836 -5.253 1.00 30.04 H new ATOM 0 HA ALA A 42 -2.590 7.422 -7.088 1.00 1.34 H new ATOM 0 HB1 ALA A 42 -4.462 8.198 -8.506 1.00 3.51 H new ATOM 0 HB2 ALA A 42 -4.836 6.652 -7.707 1.00 3.51 H new ATOM 0 HB3 ALA A 42 -5.538 8.166 -7.089 1.00 3.51 H new ATOM 648 N ALA A 43 -3.916 10.050 -5.609 1.00 35.22 N ATOM 649 CA ALA A 43 -3.719 11.471 -5.352 1.00 53.14 C ATOM 650 C ALA A 43 -2.524 11.703 -4.434 1.00 71.31 C ATOM 651 O ALA A 43 -1.876 12.748 -4.494 1.00 2.44 O ATOM 652 CB ALA A 43 -4.977 12.078 -4.748 1.00 60.21 C ATOM 0 H ALA A 43 -4.685 9.630 -5.087 1.00 35.22 H new ATOM 0 HA ALA A 43 -3.513 11.961 -6.303 1.00 53.14 H new ATOM 0 HB1 ALA A 43 -4.815 13.140 -4.561 1.00 60.21 H new ATOM 0 HB2 ALA A 43 -5.809 11.954 -5.441 1.00 60.21 H new ATOM 0 HB3 ALA A 43 -5.209 11.576 -3.809 1.00 60.21 H new ATOM 658 N LEU A 44 -2.238 10.722 -3.585 1.00 43.01 N ATOM 659 CA LEU A 44 -1.120 10.819 -2.653 1.00 2.22 C ATOM 660 C LEU A 44 0.161 11.219 -3.378 1.00 40.03 C ATOM 661 O LEU A 44 1.033 11.872 -2.805 1.00 12.32 O ATOM 662 CB LEU A 44 -0.915 9.487 -1.930 1.00 74.42 C ATOM 663 CG LEU A 44 -0.745 9.565 -0.413 1.00 13.24 C ATOM 664 CD1 LEU A 44 -2.060 9.942 0.253 1.00 3.10 C ATOM 665 CD2 LEU A 44 -0.228 8.243 0.135 1.00 2.22 C ATOM 0 H LEU A 44 -2.765 9.851 -3.523 1.00 43.01 H new ATOM 0 HA LEU A 44 -1.357 11.590 -1.920 1.00 2.22 H new ATOM 0 HB2 LEU A 44 -1.768 8.844 -2.147 1.00 74.42 H new ATOM 0 HB3 LEU A 44 -0.034 9.001 -2.349 1.00 74.42 H new ATOM 0 HG LEU A 44 -0.012 10.340 -0.189 1.00 13.24 H new ATOM 0 HD11 LEU A 44 -1.920 9.993 1.333 1.00 3.10 H new ATOM 0 HD12 LEU A 44 -2.389 10.913 -0.116 1.00 3.10 H new ATOM 0 HD13 LEU A 44 -2.814 9.190 0.020 1.00 3.10 H new ATOM 0 HD21 LEU A 44 -0.113 8.317 1.216 1.00 2.22 H new ATOM 0 HD22 LEU A 44 -0.937 7.449 -0.101 1.00 2.22 H new ATOM 0 HD23 LEU A 44 0.737 8.014 -0.317 1.00 2.22 H new ATOM 677 N ARG A 45 0.267 10.824 -4.643 1.00 14.21 N ATOM 678 CA ARG A 45 1.440 11.142 -5.447 1.00 42.31 C ATOM 679 C ARG A 45 1.750 12.635 -5.390 1.00 5.24 C ATOM 680 O ARG A 45 2.860 13.036 -5.038 1.00 10.34 O ATOM 681 CB ARG A 45 1.222 10.711 -6.899 1.00 2.43 C ATOM 682 CG ARG A 45 2.401 9.960 -7.495 1.00 4.03 C ATOM 683 CD ARG A 45 3.487 10.913 -7.969 1.00 2.23 C ATOM 684 NE ARG A 45 4.798 10.561 -7.430 1.00 62.22 N ATOM 685 CZ ARG A 45 5.940 11.062 -7.889 1.00 31.51 C ATOM 686 NH1 ARG A 45 5.932 11.932 -8.889 1.00 15.11 N ATOM 687 NH2 ARG A 45 7.093 10.692 -7.347 1.00 22.14 N ATOM 0 H ARG A 45 -0.446 10.283 -5.133 1.00 14.21 H new ATOM 0 HA ARG A 45 2.289 10.596 -5.036 1.00 42.31 H new ATOM 0 HB2 ARG A 45 0.335 10.079 -6.952 1.00 2.43 H new ATOM 0 HB3 ARG A 45 1.021 11.594 -7.505 1.00 2.43 H new ATOM 0 HG2 ARG A 45 2.813 9.278 -6.751 1.00 4.03 H new ATOM 0 HG3 ARG A 45 2.060 9.350 -8.332 1.00 4.03 H new ATOM 0 HD2 ARG A 45 3.528 10.903 -9.058 1.00 2.23 H new ATOM 0 HD3 ARG A 45 3.233 11.930 -7.669 1.00 2.23 H new ATOM 0 HE ARG A 45 4.839 9.894 -6.659 1.00 62.22 H new ATOM 0 HH11 ARG A 45 5.048 12.219 -9.308 1.00 15.11 H new ATOM 0 HH12 ARG A 45 6.810 12.315 -9.239 1.00 15.11 H new ATOM 0 HH21 ARG A 45 7.103 10.023 -6.577 1.00 22.14 H new ATOM 0 HH22 ARG A 45 7.969 11.077 -7.700 1.00 22.14 H new ATOM 701 N PHE A 46 0.763 13.453 -5.738 1.00 50.32 N ATOM 702 CA PHE A 46 0.931 14.902 -5.728 1.00 34.22 C ATOM 703 C PHE A 46 0.630 15.474 -4.346 1.00 11.23 C ATOM 704 O PHE A 46 1.225 16.469 -3.931 1.00 73.51 O ATOM 705 CB PHE A 46 0.017 15.550 -6.770 1.00 60.33 C ATOM 706 CG PHE A 46 0.346 15.158 -8.182 1.00 63.34 C ATOM 707 CD1 PHE A 46 1.657 15.169 -8.631 1.00 2.51 C ATOM 708 CD2 PHE A 46 -0.655 14.778 -9.061 1.00 72.14 C ATOM 709 CE1 PHE A 46 1.964 14.809 -9.930 1.00 32.14 C ATOM 710 CE2 PHE A 46 -0.355 14.416 -10.361 1.00 24.11 C ATOM 711 CZ PHE A 46 0.956 14.433 -10.796 1.00 22.41 C ATOM 0 H PHE A 46 -0.162 13.138 -6.031 1.00 50.32 H new ATOM 0 HA PHE A 46 1.969 15.124 -5.977 1.00 34.22 H new ATOM 0 HB2 PHE A 46 -1.016 15.276 -6.556 1.00 60.33 H new ATOM 0 HB3 PHE A 46 0.085 16.634 -6.677 1.00 60.33 H new ATOM 0 HD1 PHE A 46 2.449 15.462 -7.958 1.00 2.51 H new ATOM 0 HD2 PHE A 46 -1.682 14.764 -8.727 1.00 72.14 H new ATOM 0 HE1 PHE A 46 2.990 14.822 -10.267 1.00 32.14 H new ATOM 0 HE2 PHE A 46 -1.145 14.120 -11.036 1.00 24.11 H new ATOM 0 HZ PHE A 46 1.192 14.153 -11.812 1.00 22.41 H new ATOM 721 N ALA A 47 -0.298 14.839 -3.638 1.00 32.22 N ATOM 722 CA ALA A 47 -0.678 15.283 -2.302 1.00 64.14 C ATOM 723 C ALA A 47 0.525 15.293 -1.365 1.00 42.40 C ATOM 724 O ALA A 47 0.617 16.129 -0.467 1.00 14.44 O ATOM 725 CB ALA A 47 -1.778 14.393 -1.743 1.00 25.02 C ATOM 0 H ALA A 47 -0.801 14.015 -3.967 1.00 32.22 H new ATOM 0 HA ALA A 47 -1.055 16.303 -2.378 1.00 64.14 H new ATOM 0 HB1 ALA A 47 -2.052 14.736 -0.745 1.00 25.02 H new ATOM 0 HB2 ALA A 47 -2.650 14.440 -2.395 1.00 25.02 H new ATOM 0 HB3 ALA A 47 -1.421 13.365 -1.688 1.00 25.02 H new ATOM 731 N ALA A 48 1.445 14.359 -1.580 1.00 63.12 N ATOM 732 CA ALA A 48 2.643 14.262 -0.755 1.00 60.11 C ATOM 733 C ALA A 48 3.445 15.559 -0.796 1.00 75.53 C ATOM 734 O ALA A 48 4.168 15.881 0.145 1.00 14.44 O ATOM 735 CB ALA A 48 3.504 13.092 -1.210 1.00 12.53 C ATOM 0 H ALA A 48 1.384 13.658 -2.319 1.00 63.12 H new ATOM 0 HA ALA A 48 2.331 14.091 0.275 1.00 60.11 H new ATOM 0 HB1 ALA A 48 4.395 13.031 -0.585 1.00 12.53 H new ATOM 0 HB2 ALA A 48 2.936 12.166 -1.122 1.00 12.53 H new ATOM 0 HB3 ALA A 48 3.799 13.239 -2.249 1.00 12.53 H new ATOM 741 N GLU A 49 3.311 16.297 -1.894 1.00 21.22 N ATOM 742 CA GLU A 49 4.025 17.558 -2.057 1.00 21.32 C ATOM 743 C GLU A 49 3.316 18.685 -1.312 1.00 34.10 C ATOM 744 O GLU A 49 3.958 19.577 -0.759 1.00 52.34 O ATOM 745 CB GLU A 49 4.149 17.911 -3.540 1.00 42.04 C ATOM 746 CG GLU A 49 4.686 16.774 -4.394 1.00 12.21 C ATOM 747 CD GLU A 49 5.833 16.037 -3.730 1.00 14.11 C ATOM 748 OE1 GLU A 49 5.669 14.836 -3.427 1.00 43.44 O ATOM 749 OE2 GLU A 49 6.893 16.660 -3.513 1.00 14.34 O ATOM 0 H GLU A 49 2.716 16.044 -2.682 1.00 21.22 H new ATOM 0 HA GLU A 49 5.023 17.438 -1.635 1.00 21.32 H new ATOM 0 HB2 GLU A 49 3.170 18.207 -3.917 1.00 42.04 H new ATOM 0 HB3 GLU A 49 4.805 18.775 -3.646 1.00 42.04 H new ATOM 0 HG2 GLU A 49 3.880 16.071 -4.604 1.00 12.21 H new ATOM 0 HG3 GLU A 49 5.021 17.171 -5.352 1.00 12.21 H new ATOM 756 N GLU A 50 1.987 18.636 -1.303 1.00 42.20 N ATOM 757 CA GLU A 50 1.191 19.654 -0.628 1.00 34.14 C ATOM 758 C GLU A 50 1.541 19.723 0.856 1.00 32.21 C ATOM 759 O GLU A 50 1.523 20.795 1.460 1.00 0.34 O ATOM 760 CB GLU A 50 -0.302 19.361 -0.798 1.00 4.24 C ATOM 761 CG GLU A 50 -1.035 20.400 -1.629 1.00 2.51 C ATOM 762 CD GLU A 50 -1.333 21.666 -0.849 1.00 52.44 C ATOM 763 OE1 GLU A 50 -0.373 22.322 -0.394 1.00 2.21 O ATOM 764 OE2 GLU A 50 -2.526 22.001 -0.695 1.00 11.25 O ATOM 0 H GLU A 50 1.440 17.903 -1.755 1.00 42.20 H new ATOM 0 HA GLU A 50 1.419 20.618 -1.083 1.00 34.14 H new ATOM 0 HB2 GLU A 50 -0.421 18.384 -1.266 1.00 4.24 H new ATOM 0 HB3 GLU A 50 -0.766 19.302 0.186 1.00 4.24 H new ATOM 0 HG2 GLU A 50 -0.435 20.650 -2.504 1.00 2.51 H new ATOM 0 HG3 GLU A 50 -1.970 19.974 -1.994 1.00 2.51 H new ATOM 771 N PHE A 51 1.858 18.571 1.437 1.00 24.41 N ATOM 772 CA PHE A 51 2.211 18.499 2.850 1.00 22.22 C ATOM 773 C PHE A 51 3.721 18.372 3.028 1.00 64.41 C ATOM 774 O PHE A 51 4.261 18.685 4.088 1.00 23.20 O ATOM 775 CB PHE A 51 1.507 17.314 3.514 1.00 34.20 C ATOM 776 CG PHE A 51 0.689 17.698 4.714 1.00 53.23 C ATOM 777 CD1 PHE A 51 1.220 18.515 5.698 1.00 4.23 C ATOM 778 CD2 PHE A 51 -0.612 17.242 4.857 1.00 22.10 C ATOM 779 CE1 PHE A 51 0.470 18.871 6.803 1.00 3.14 C ATOM 780 CE2 PHE A 51 -1.367 17.595 5.960 1.00 63.24 C ATOM 781 CZ PHE A 51 -0.825 18.409 6.935 1.00 43.34 C ATOM 0 H PHE A 51 1.878 17.674 0.951 1.00 24.41 H new ATOM 0 HA PHE A 51 1.883 19.422 3.328 1.00 22.22 H new ATOM 0 HB2 PHE A 51 0.860 16.830 2.783 1.00 34.20 H new ATOM 0 HB3 PHE A 51 2.254 16.579 3.814 1.00 34.20 H new ATOM 0 HD1 PHE A 51 2.232 18.878 5.601 1.00 4.23 H new ATOM 0 HD2 PHE A 51 -1.041 16.604 4.098 1.00 22.10 H new ATOM 0 HE1 PHE A 51 0.896 19.510 7.562 1.00 3.14 H new ATOM 0 HE2 PHE A 51 -2.380 17.234 6.059 1.00 63.24 H new ATOM 0 HZ PHE A 51 -1.412 18.684 7.799 1.00 43.34 H new ATOM 791 N GLY A 52 4.398 17.908 1.981 1.00 53.41 N ATOM 792 CA GLY A 52 5.839 17.747 2.041 1.00 34.31 C ATOM 793 C GLY A 52 6.262 16.692 3.044 1.00 3.22 C ATOM 794 O GLY A 52 7.424 16.642 3.448 1.00 4.02 O ATOM 0 H GLY A 52 3.974 17.641 1.093 1.00 53.41 H new ATOM 0 HA2 GLY A 52 6.213 17.476 1.054 1.00 34.31 H new ATOM 0 HA3 GLY A 52 6.298 18.700 2.305 1.00 34.31 H new ATOM 798 N ILE A 53 5.318 15.849 3.448 1.00 3.12 N ATOM 799 CA ILE A 53 5.600 14.791 4.411 1.00 43.52 C ATOM 800 C ILE A 53 4.806 13.530 4.090 1.00 61.11 C ATOM 801 O ILE A 53 4.069 13.482 3.106 1.00 55.11 O ATOM 802 CB ILE A 53 5.275 15.237 5.849 1.00 42.44 C ATOM 803 CG1 ILE A 53 3.859 15.812 5.920 1.00 41.44 C ATOM 804 CG2 ILE A 53 6.293 16.261 6.329 1.00 41.25 C ATOM 805 CD1 ILE A 53 3.466 16.280 7.303 1.00 15.32 C ATOM 0 H ILE A 53 4.351 15.878 3.124 1.00 3.12 H new ATOM 0 HA ILE A 53 6.666 14.575 4.339 1.00 43.52 H new ATOM 0 HB ILE A 53 5.327 14.367 6.504 1.00 42.44 H new ATOM 0 HG12 ILE A 53 3.780 16.649 5.226 1.00 41.44 H new ATOM 0 HG13 ILE A 53 3.150 15.054 5.587 1.00 41.44 H new ATOM 0 HG21 ILE A 53 6.050 16.566 7.347 1.00 41.25 H new ATOM 0 HG22 ILE A 53 7.289 15.820 6.311 1.00 41.25 H new ATOM 0 HG23 ILE A 53 6.270 17.132 5.674 1.00 41.25 H new ATOM 0 HD11 ILE A 53 2.451 16.675 7.278 1.00 15.32 H new ATOM 0 HD12 ILE A 53 3.512 15.441 7.998 1.00 15.32 H new ATOM 0 HD13 ILE A 53 4.152 17.061 7.631 1.00 15.32 H new ATOM 817 N ALA A 54 4.961 12.510 4.928 1.00 10.53 N ATOM 818 CA ALA A 54 4.255 11.250 4.736 1.00 23.44 C ATOM 819 C ALA A 54 4.059 10.523 6.063 1.00 61.04 C ATOM 820 O ALA A 54 4.829 9.628 6.411 1.00 61.11 O ATOM 821 CB ALA A 54 5.011 10.366 3.755 1.00 20.10 C ATOM 0 H ALA A 54 5.569 12.532 5.746 1.00 10.53 H new ATOM 0 HA ALA A 54 3.271 11.472 4.324 1.00 23.44 H new ATOM 0 HB1 ALA A 54 4.472 9.428 3.621 1.00 20.10 H new ATOM 0 HB2 ALA A 54 5.095 10.876 2.796 1.00 20.10 H new ATOM 0 HB3 ALA A 54 6.008 10.160 4.145 1.00 20.10 H new ATOM 827 N SER A 55 3.024 10.914 6.799 1.00 1.41 N ATOM 828 CA SER A 55 2.730 10.303 8.090 1.00 75.13 C ATOM 829 C SER A 55 1.485 10.926 8.715 1.00 43.51 C ATOM 830 O SER A 55 0.412 10.324 8.722 1.00 54.31 O ATOM 831 CB SER A 55 3.922 10.458 9.036 1.00 51.55 C ATOM 832 OG SER A 55 3.567 10.117 10.364 1.00 20.52 O ATOM 0 H SER A 55 2.375 11.651 6.524 1.00 1.41 H new ATOM 0 HA SER A 55 2.541 9.242 7.927 1.00 75.13 H new ATOM 0 HB2 SER A 55 4.741 9.822 8.701 1.00 51.55 H new ATOM 0 HB3 SER A 55 4.283 11.486 9.005 1.00 51.55 H new ATOM 0 HG SER A 55 4.347 10.223 10.948 1.00 20.52 H new ATOM 838 N VAL A 56 1.638 12.138 9.240 1.00 43.12 N ATOM 839 CA VAL A 56 0.528 12.845 9.867 1.00 42.31 C ATOM 840 C VAL A 56 -0.502 13.280 8.831 1.00 50.14 C ATOM 841 O VAL A 56 -1.643 13.594 9.169 1.00 75.13 O ATOM 842 CB VAL A 56 1.017 14.085 10.640 1.00 61.41 C ATOM 843 CG1 VAL A 56 1.794 13.669 11.880 1.00 62.34 C ATOM 844 CG2 VAL A 56 1.866 14.972 9.741 1.00 34.25 C ATOM 0 H VAL A 56 2.520 12.650 9.243 1.00 43.12 H new ATOM 0 HA VAL A 56 0.064 12.149 10.566 1.00 42.31 H new ATOM 0 HB VAL A 56 0.147 14.658 10.961 1.00 61.41 H new ATOM 0 HG11 VAL A 56 2.131 14.558 12.413 1.00 62.34 H new ATOM 0 HG12 VAL A 56 1.150 13.078 12.531 1.00 62.34 H new ATOM 0 HG13 VAL A 56 2.658 13.073 11.585 1.00 62.34 H new ATOM 0 HG21 VAL A 56 2.203 15.843 10.303 1.00 34.25 H new ATOM 0 HG22 VAL A 56 2.731 14.411 9.388 1.00 34.25 H new ATOM 0 HG23 VAL A 56 1.273 15.298 8.887 1.00 34.25 H new ATOM 854 N ASP A 57 -0.092 13.296 7.567 1.00 23.43 N ATOM 855 CA ASP A 57 -0.980 13.690 6.480 1.00 44.42 C ATOM 856 C ASP A 57 -2.151 12.721 6.356 1.00 51.23 C ATOM 857 O ASP A 57 -3.156 13.026 5.714 1.00 73.12 O ATOM 858 CB ASP A 57 -0.209 13.750 5.160 1.00 50.30 C ATOM 859 CG ASP A 57 0.043 12.375 4.574 1.00 53.14 C ATOM 860 OD1 ASP A 57 -0.063 12.228 3.338 1.00 43.33 O ATOM 861 OD2 ASP A 57 0.346 11.446 5.350 1.00 31.25 O ATOM 0 H ASP A 57 0.850 13.041 7.270 1.00 23.43 H new ATOM 0 HA ASP A 57 -1.375 14.680 6.707 1.00 44.42 H new ATOM 0 HB2 ASP A 57 -0.769 14.350 4.443 1.00 50.30 H new ATOM 0 HB3 ASP A 57 0.744 14.253 5.322 1.00 50.30 H new ATOM 866 N SER A 58 -2.013 11.552 6.973 1.00 15.33 N ATOM 867 CA SER A 58 -3.058 10.536 6.928 1.00 53.11 C ATOM 868 C SER A 58 -4.356 11.064 7.531 1.00 13.21 C ATOM 869 O SER A 58 -5.440 10.562 7.235 1.00 12.14 O ATOM 870 CB SER A 58 -2.609 9.279 7.676 1.00 55.23 C ATOM 871 OG SER A 58 -3.078 8.108 7.031 1.00 64.54 O ATOM 0 H SER A 58 -1.188 11.285 7.510 1.00 15.33 H new ATOM 0 HA SER A 58 -3.240 10.283 5.883 1.00 53.11 H new ATOM 0 HB2 SER A 58 -1.521 9.255 7.734 1.00 55.23 H new ATOM 0 HB3 SER A 58 -2.982 9.308 8.700 1.00 55.23 H new ATOM 0 HG SER A 58 -2.777 7.318 7.527 1.00 64.54 H new ATOM 877 N MET A 59 -4.237 12.081 8.379 1.00 61.13 N ATOM 878 CA MET A 59 -5.400 12.679 9.023 1.00 34.33 C ATOM 879 C MET A 59 -5.120 14.125 9.418 1.00 1.11 C ATOM 880 O MET A 59 -5.018 14.447 10.602 1.00 60.54 O ATOM 881 CB MET A 59 -5.798 11.869 10.259 1.00 71.53 C ATOM 882 CG MET A 59 -7.125 12.296 10.864 1.00 11.04 C ATOM 883 SD MET A 59 -7.619 11.261 12.256 1.00 73.24 S ATOM 884 CE MET A 59 -7.893 9.694 11.431 1.00 11.34 C ATOM 0 H MET A 59 -3.347 12.508 8.636 1.00 61.13 H new ATOM 0 HA MET A 59 -6.224 12.669 8.309 1.00 34.33 H new ATOM 0 HB2 MET A 59 -5.854 10.814 9.990 1.00 71.53 H new ATOM 0 HB3 MET A 59 -5.017 11.965 11.013 1.00 71.53 H new ATOM 0 HG2 MET A 59 -7.053 13.332 11.194 1.00 11.04 H new ATOM 0 HG3 MET A 59 -7.898 12.259 10.097 1.00 11.04 H new ATOM 0 HE1 MET A 59 -8.540 9.068 12.045 1.00 11.34 H new ATOM 0 HE2 MET A 59 -8.367 9.869 10.465 1.00 11.34 H new ATOM 0 HE3 MET A 59 -6.938 9.190 11.280 1.00 11.34 H new ATOM 894 N ALA A 60 -4.996 14.993 8.419 1.00 0.14 N ATOM 895 CA ALA A 60 -4.729 16.405 8.663 1.00 10.11 C ATOM 896 C ALA A 60 -5.550 17.288 7.729 1.00 3.23 C ATOM 897 O ALA A 60 -5.012 17.903 6.809 1.00 62.43 O ATOM 898 CB ALA A 60 -3.245 16.697 8.500 1.00 2.51 C ATOM 0 H ALA A 60 -5.076 14.743 7.433 1.00 0.14 H new ATOM 0 HA ALA A 60 -5.022 16.634 9.688 1.00 10.11 H new ATOM 0 HB1 ALA A 60 -3.060 17.755 8.685 1.00 2.51 H new ATOM 0 HB2 ALA A 60 -2.676 16.099 9.212 1.00 2.51 H new ATOM 0 HB3 ALA A 60 -2.934 16.446 7.486 1.00 2.51 H new ATOM 904 N ALA A 61 -6.855 17.346 7.972 1.00 0.04 N ATOM 905 CA ALA A 61 -7.749 18.155 7.154 1.00 74.03 C ATOM 906 C ALA A 61 -9.091 18.363 7.848 1.00 74.44 C ATOM 907 O ALA A 61 -9.510 17.548 8.671 1.00 64.10 O ATOM 908 CB ALA A 61 -7.952 17.505 5.793 1.00 44.21 C ATOM 0 H ALA A 61 -7.317 16.842 8.729 1.00 0.04 H new ATOM 0 HA ALA A 61 -7.287 19.132 7.013 1.00 74.03 H new ATOM 0 HB1 ALA A 61 -8.622 18.120 5.192 1.00 44.21 H new ATOM 0 HB2 ALA A 61 -6.991 17.414 5.286 1.00 44.21 H new ATOM 0 HB3 ALA A 61 -8.388 16.515 5.924 1.00 44.21 H new ATOM 914 N THR A 62 -9.763 19.459 7.511 1.00 53.33 N ATOM 915 CA THR A 62 -11.057 19.775 8.103 1.00 50.03 C ATOM 916 C THR A 62 -12.051 20.231 7.041 1.00 71.13 C ATOM 917 O THR A 62 -11.681 20.900 6.075 1.00 74.31 O ATOM 918 CB THR A 62 -10.931 20.872 9.176 1.00 1.42 C ATOM 919 OG1 THR A 62 -9.751 21.650 8.946 1.00 63.13 O ATOM 920 CG2 THR A 62 -10.879 20.263 10.569 1.00 1.32 C ATOM 0 H THR A 62 -9.432 20.143 6.831 1.00 53.33 H new ATOM 0 HA THR A 62 -11.422 18.860 8.570 1.00 50.03 H new ATOM 0 HB THR A 62 -11.808 21.516 9.110 1.00 1.42 H new ATOM 0 HG1 THR A 62 -9.980 22.603 8.958 1.00 63.13 H new ATOM 0 HG21 THR A 62 -10.790 21.057 11.310 1.00 1.32 H new ATOM 0 HG22 THR A 62 -11.792 19.696 10.753 1.00 1.32 H new ATOM 0 HG23 THR A 62 -10.018 19.599 10.644 1.00 1.32 H new ATOM 928 N THR A 63 -13.316 19.866 7.225 1.00 70.42 N ATOM 929 CA THR A 63 -14.364 20.237 6.282 1.00 23.32 C ATOM 930 C THR A 63 -14.869 21.650 6.550 1.00 62.21 C ATOM 931 O THR A 63 -14.641 22.209 7.623 1.00 41.23 O ATOM 932 CB THR A 63 -15.551 19.258 6.348 1.00 14.14 C ATOM 933 OG1 THR A 63 -16.454 19.509 5.265 1.00 22.22 O ATOM 934 CG2 THR A 63 -16.290 19.392 7.672 1.00 41.14 C ATOM 0 H THR A 63 -13.640 19.313 8.019 1.00 70.42 H new ATOM 0 HA THR A 63 -13.923 20.195 5.286 1.00 23.32 H new ATOM 0 HB THR A 63 -15.161 18.243 6.268 1.00 14.14 H new ATOM 0 HG1 THR A 63 -17.205 18.881 5.313 1.00 22.22 H new ATOM 0 HG21 THR A 63 -17.124 18.691 7.696 1.00 41.14 H new ATOM 0 HG22 THR A 63 -15.608 19.172 8.493 1.00 41.14 H new ATOM 0 HG23 THR A 63 -16.668 20.409 7.776 1.00 41.14 H new ATOM 942 N LYS A 64 -15.557 22.223 5.568 1.00 1.03 N ATOM 943 CA LYS A 64 -16.097 23.571 5.698 1.00 40.22 C ATOM 944 C LYS A 64 -17.073 23.656 6.867 1.00 51.32 C ATOM 945 O LYS A 64 -17.247 24.717 7.467 1.00 40.45 O ATOM 946 CB LYS A 64 -16.798 23.988 4.403 1.00 41.50 C ATOM 947 CG LYS A 64 -17.763 22.944 3.870 1.00 71.11 C ATOM 948 CD LYS A 64 -17.290 22.372 2.544 1.00 42.52 C ATOM 949 CE LYS A 64 -17.228 20.853 2.582 1.00 51.21 C ATOM 950 NZ LYS A 64 -18.497 20.259 3.087 1.00 3.01 N ATOM 0 H LYS A 64 -15.754 21.775 4.673 1.00 1.03 H new ATOM 0 HA LYS A 64 -15.267 24.251 5.891 1.00 40.22 H new ATOM 0 HB2 LYS A 64 -17.341 24.917 4.577 1.00 41.50 H new ATOM 0 HB3 LYS A 64 -16.045 24.196 3.643 1.00 41.50 H new ATOM 0 HG2 LYS A 64 -17.868 22.139 4.598 1.00 71.11 H new ATOM 0 HG3 LYS A 64 -18.749 23.390 3.744 1.00 71.11 H new ATOM 0 HD2 LYS A 64 -17.964 22.690 1.748 1.00 42.52 H new ATOM 0 HD3 LYS A 64 -16.304 22.771 2.305 1.00 42.52 H new ATOM 0 HE2 LYS A 64 -17.022 20.473 1.582 1.00 51.21 H new ATOM 0 HE3 LYS A 64 -16.401 20.539 3.219 1.00 51.21 H new ATOM 0 HZ1 LYS A 64 -18.525 19.247 2.849 1.00 3.01 H new ATOM 0 HZ2 LYS A 64 -18.547 20.374 4.119 1.00 3.01 H new ATOM 0 HZ3 LYS A 64 -19.306 20.741 2.645 1.00 3.01 H new ATOM 964 N ASP A 65 -17.706 22.533 7.186 1.00 30.20 N ATOM 965 CA ASP A 65 -18.663 22.480 8.285 1.00 3.14 C ATOM 966 C ASP A 65 -17.943 22.423 9.629 1.00 14.15 C ATOM 967 O ASP A 65 -18.507 22.781 10.663 1.00 75.05 O ATOM 968 CB ASP A 65 -19.581 21.267 8.133 1.00 73.24 C ATOM 969 CG ASP A 65 -20.251 21.215 6.774 1.00 54.53 C ATOM 970 OD1 ASP A 65 -19.544 20.982 5.771 1.00 1.02 O ATOM 971 OD2 ASP A 65 -21.484 21.408 6.713 1.00 64.13 O ATOM 0 H ASP A 65 -17.574 21.647 6.699 1.00 30.20 H new ATOM 0 HA ASP A 65 -19.266 23.388 8.253 1.00 3.14 H new ATOM 0 HB2 ASP A 65 -19.002 20.356 8.285 1.00 73.24 H new ATOM 0 HB3 ASP A 65 -20.344 21.293 8.911 1.00 73.24 H new ATOM 976 N GLY A 66 -16.694 21.969 9.608 1.00 42.14 N ATOM 977 CA GLY A 66 -15.918 21.872 10.830 1.00 13.24 C ATOM 978 C GLY A 66 -14.871 20.778 10.768 1.00 52.03 C ATOM 979 O GLY A 66 -13.886 20.891 10.038 1.00 42.43 O ATOM 0 H GLY A 66 -16.205 21.666 8.765 1.00 42.14 H new ATOM 0 HA2 GLY A 66 -15.430 22.827 11.023 1.00 13.24 H new ATOM 0 HA3 GLY A 66 -16.588 21.682 11.668 1.00 13.24 H new ATOM 983 N THR A 67 -15.082 19.714 11.537 1.00 52.15 N ATOM 984 CA THR A 67 -14.148 18.596 11.568 1.00 43.23 C ATOM 985 C THR A 67 -14.168 17.825 10.253 1.00 53.53 C ATOM 986 O THR A 67 -15.229 17.595 9.674 1.00 61.14 O ATOM 987 CB THR A 67 -14.468 17.628 12.722 1.00 12.01 C ATOM 988 OG1 THR A 67 -15.402 18.233 13.623 1.00 33.44 O ATOM 989 CG2 THR A 67 -13.203 17.247 13.476 1.00 61.44 C ATOM 0 H THR A 67 -15.892 19.604 12.147 1.00 52.15 H new ATOM 0 HA THR A 67 -13.155 19.019 11.723 1.00 43.23 H new ATOM 0 HB THR A 67 -14.905 16.724 12.298 1.00 12.01 H new ATOM 0 HG1 THR A 67 -15.602 17.611 14.353 1.00 33.44 H new ATOM 0 HG21 THR A 67 -13.455 16.563 14.286 1.00 61.44 H new ATOM 0 HG22 THR A 67 -12.505 16.761 12.794 1.00 61.44 H new ATOM 0 HG23 THR A 67 -12.741 18.144 13.889 1.00 61.44 H new ATOM 997 N GLY A 68 -12.988 17.428 9.786 1.00 12.30 N ATOM 998 CA GLY A 68 -12.894 16.687 8.542 1.00 22.32 C ATOM 999 C GLY A 68 -12.159 15.371 8.706 1.00 43.22 C ATOM 1000 O GLY A 68 -10.972 15.273 8.392 1.00 72.45 O ATOM 0 H GLY A 68 -12.096 17.606 10.247 1.00 12.30 H new ATOM 0 HA2 GLY A 68 -13.897 16.495 8.160 1.00 22.32 H new ATOM 0 HA3 GLY A 68 -12.381 17.296 7.798 1.00 22.32 H new ATOM 1004 N ILE A 69 -12.863 14.359 9.200 1.00 13.01 N ATOM 1005 CA ILE A 69 -12.270 13.044 9.405 1.00 25.24 C ATOM 1006 C ILE A 69 -12.213 12.256 8.101 1.00 55.33 C ATOM 1007 O ILE A 69 -13.239 12.011 7.467 1.00 12.53 O ATOM 1008 CB ILE A 69 -13.054 12.229 10.451 1.00 70.25 C ATOM 1009 CG1 ILE A 69 -13.044 12.947 11.802 1.00 61.24 C ATOM 1010 CG2 ILE A 69 -12.466 10.832 10.583 1.00 74.34 C ATOM 1011 CD1 ILE A 69 -14.348 13.641 12.127 1.00 43.45 C ATOM 0 H ILE A 69 -13.846 14.425 9.466 1.00 13.01 H new ATOM 0 HA ILE A 69 -11.257 13.209 9.771 1.00 25.24 H new ATOM 0 HB ILE A 69 -14.088 12.137 10.118 1.00 70.25 H new ATOM 0 HG12 ILE A 69 -12.821 12.224 12.587 1.00 61.24 H new ATOM 0 HG13 ILE A 69 -12.239 13.682 11.808 1.00 61.24 H new ATOM 0 HG21 ILE A 69 -13.031 10.268 11.326 1.00 74.34 H new ATOM 0 HG22 ILE A 69 -12.521 10.322 9.621 1.00 74.34 H new ATOM 0 HG23 ILE A 69 -11.425 10.904 10.897 1.00 74.34 H new ATOM 0 HD11 ILE A 69 -14.268 14.128 13.099 1.00 43.45 H new ATOM 0 HD12 ILE A 69 -14.563 14.388 11.363 1.00 43.45 H new ATOM 0 HD13 ILE A 69 -15.154 12.907 12.154 1.00 43.45 H new ATOM 1023 N ASN A 70 -11.008 11.861 7.706 1.00 25.31 N ATOM 1024 CA ASN A 70 -10.817 11.099 6.477 1.00 52.10 C ATOM 1025 C ASN A 70 -10.430 9.656 6.786 1.00 71.03 C ATOM 1026 O ASN A 70 -9.256 9.285 6.768 1.00 33.34 O ATOM 1027 CB ASN A 70 -9.741 11.753 5.609 1.00 43.14 C ATOM 1028 CG ASN A 70 -9.738 13.265 5.732 1.00 25.42 C ATOM 1029 OD1 ASN A 70 -10.346 13.966 4.924 1.00 33.10 O ATOM 1030 ND2 ASN A 70 -9.050 13.774 6.748 1.00 64.53 N ATOM 0 H ASN A 70 -10.148 12.056 8.219 1.00 25.31 H new ATOM 0 HA ASN A 70 -11.761 11.094 5.932 1.00 52.10 H new ATOM 0 HB2 ASN A 70 -8.763 11.366 5.895 1.00 43.14 H new ATOM 0 HB3 ASN A 70 -9.901 11.476 4.567 1.00 43.14 H new ATOM 0 HD21 ASN A 70 -9.011 14.784 6.882 1.00 64.53 H new ATOM 0 HD22 ASN A 70 -8.561 13.154 7.394 1.00 64.53 H new ATOM 1037 N PRO A 71 -11.440 8.821 7.075 1.00 45.44 N ATOM 1038 CA PRO A 71 -11.230 7.406 7.391 1.00 31.55 C ATOM 1039 C PRO A 71 -10.782 6.600 6.177 1.00 61.21 C ATOM 1040 O PRO A 71 -9.809 5.849 6.243 1.00 32.11 O ATOM 1041 CB PRO A 71 -12.610 6.940 7.863 1.00 61.43 C ATOM 1042 CG PRO A 71 -13.569 7.871 7.205 1.00 31.04 C ATOM 1043 CD PRO A 71 -12.863 9.196 7.114 1.00 72.54 C ATOM 0 HA PRO A 71 -10.441 7.266 8.130 1.00 31.55 H new ATOM 0 HB2 PRO A 71 -12.799 5.906 7.573 1.00 61.43 H new ATOM 0 HB3 PRO A 71 -12.694 6.987 8.949 1.00 61.43 H new ATOM 0 HG2 PRO A 71 -13.848 7.509 6.216 1.00 31.04 H new ATOM 0 HG3 PRO A 71 -14.488 7.958 7.784 1.00 31.04 H new ATOM 0 HD2 PRO A 71 -13.158 9.748 6.222 1.00 72.54 H new ATOM 0 HD3 PRO A 71 -13.088 9.831 7.971 1.00 72.54 H new ATOM 1051 N ALA A 72 -11.497 6.761 5.069 1.00 53.44 N ATOM 1052 CA ALA A 72 -11.171 6.051 3.838 1.00 31.35 C ATOM 1053 C ALA A 72 -10.596 6.999 2.792 1.00 3.45 C ATOM 1054 O ALA A 72 -9.808 6.592 1.939 1.00 73.10 O ATOM 1055 CB ALA A 72 -12.404 5.346 3.293 1.00 14.12 C ATOM 0 H ALA A 72 -12.307 7.377 4.998 1.00 53.44 H new ATOM 0 HA ALA A 72 -10.411 5.304 4.069 1.00 31.35 H new ATOM 0 HB1 ALA A 72 -12.146 4.820 2.374 1.00 14.12 H new ATOM 0 HB2 ALA A 72 -12.770 4.631 4.030 1.00 14.12 H new ATOM 0 HB3 ALA A 72 -13.181 6.081 3.084 1.00 14.12 H new ATOM 1061 N GLN A 73 -10.995 8.265 2.865 1.00 42.11 N ATOM 1062 CA GLN A 73 -10.519 9.271 1.922 1.00 21.24 C ATOM 1063 C GLN A 73 -10.726 8.810 0.484 1.00 73.45 C ATOM 1064 O GLN A 73 -10.001 9.221 -0.423 1.00 20.02 O ATOM 1065 CB GLN A 73 -9.039 9.569 2.167 1.00 43.14 C ATOM 1066 CG GLN A 73 -8.613 9.393 3.615 1.00 34.33 C ATOM 1067 CD GLN A 73 -7.500 10.341 4.016 1.00 33.54 C ATOM 1068 OE1 GLN A 73 -7.530 11.526 3.686 1.00 42.32 O ATOM 1069 NE2 GLN A 73 -6.510 9.822 4.733 1.00 33.24 N ATOM 0 H GLN A 73 -11.646 8.618 3.566 1.00 42.11 H new ATOM 0 HA GLN A 73 -11.097 10.182 2.078 1.00 21.24 H new ATOM 0 HB2 GLN A 73 -8.436 8.914 1.538 1.00 43.14 H new ATOM 0 HB3 GLN A 73 -8.827 10.592 1.857 1.00 43.14 H new ATOM 0 HG2 GLN A 73 -9.473 9.554 4.265 1.00 34.33 H new ATOM 0 HG3 GLN A 73 -8.283 8.366 3.770 1.00 34.33 H new ATOM 0 HE21 GLN A 73 -6.526 8.834 4.984 1.00 33.24 H new ATOM 0 HE22 GLN A 73 -5.734 10.412 5.033 1.00 33.24 H new ATOM 1078 N THR A 74 -11.721 7.952 0.280 1.00 73.23 N ATOM 1079 CA THR A 74 -12.023 7.433 -1.048 1.00 53.25 C ATOM 1080 C THR A 74 -12.773 8.465 -1.884 1.00 62.41 C ATOM 1081 O THR A 74 -13.341 9.416 -1.349 1.00 44.53 O ATOM 1082 CB THR A 74 -12.863 6.144 -0.971 1.00 1.13 C ATOM 1083 OG1 THR A 74 -12.487 5.383 0.183 1.00 41.52 O ATOM 1084 CG2 THR A 74 -12.677 5.301 -2.223 1.00 70.11 C ATOM 0 H THR A 74 -12.332 7.602 1.018 1.00 73.23 H new ATOM 0 HA THR A 74 -11.068 7.208 -1.523 1.00 53.25 H new ATOM 0 HB THR A 74 -13.913 6.425 -0.895 1.00 1.13 H new ATOM 0 HG1 THR A 74 -13.026 4.566 0.226 1.00 41.52 H new ATOM 0 HG21 THR A 74 -13.280 4.396 -2.145 1.00 70.11 H new ATOM 0 HG22 THR A 74 -12.991 5.872 -3.096 1.00 70.11 H new ATOM 0 HG23 THR A 74 -11.626 5.029 -2.326 1.00 70.11 H new ATOM 1092 N ALA A 75 -12.771 8.269 -3.199 1.00 31.45 N ATOM 1093 CA ALA A 75 -13.454 9.181 -4.108 1.00 23.22 C ATOM 1094 C ALA A 75 -14.952 9.215 -3.829 1.00 35.51 C ATOM 1095 O ALA A 75 -15.570 10.279 -3.827 1.00 64.22 O ATOM 1096 CB ALA A 75 -13.193 8.780 -5.552 1.00 65.21 C ATOM 0 H ALA A 75 -12.304 7.487 -3.658 1.00 31.45 H new ATOM 0 HA ALA A 75 -13.058 10.183 -3.943 1.00 23.22 H new ATOM 0 HB1 ALA A 75 -13.709 9.470 -6.220 1.00 65.21 H new ATOM 0 HB2 ALA A 75 -12.122 8.815 -5.751 1.00 65.21 H new ATOM 0 HB3 ALA A 75 -13.561 7.768 -5.721 1.00 65.21 H new ATOM 1102 N GLY A 76 -15.533 8.041 -3.594 1.00 2.52 N ATOM 1103 CA GLY A 76 -16.955 7.960 -3.318 1.00 32.42 C ATOM 1104 C GLY A 76 -17.329 8.614 -2.003 1.00 32.24 C ATOM 1105 O GLY A 76 -18.373 9.255 -1.896 1.00 14.42 O ATOM 0 H GLY A 76 -15.044 7.146 -3.590 1.00 2.52 H new ATOM 0 HA2 GLY A 76 -17.507 8.438 -4.128 1.00 32.42 H new ATOM 0 HA3 GLY A 76 -17.259 6.913 -3.299 1.00 32.42 H new ATOM 1109 N ASN A 77 -16.475 8.450 -0.998 1.00 22.22 N ATOM 1110 CA ASN A 77 -16.722 9.028 0.318 1.00 34.11 C ATOM 1111 C ASN A 77 -16.524 10.540 0.294 1.00 41.41 C ATOM 1112 O ASN A 77 -17.455 11.304 0.549 1.00 33.24 O ATOM 1113 CB ASN A 77 -15.794 8.397 1.358 1.00 12.00 C ATOM 1114 CG ASN A 77 -16.492 7.337 2.188 1.00 21.21 C ATOM 1115 OD1 ASN A 77 -17.029 7.624 3.258 1.00 51.11 O ATOM 1116 ND2 ASN A 77 -16.486 6.103 1.697 1.00 32.24 N ATOM 0 H ASN A 77 -15.606 7.921 -1.070 1.00 22.22 H new ATOM 0 HA ASN A 77 -17.757 8.819 0.590 1.00 34.11 H new ATOM 0 HB2 ASN A 77 -14.936 7.953 0.853 1.00 12.00 H new ATOM 0 HB3 ASN A 77 -15.409 9.175 2.017 1.00 12.00 H new ATOM 0 HD21 ASN A 77 -16.939 5.347 2.211 1.00 32.24 H new ATOM 0 HD22 ASN A 77 -16.029 5.911 0.806 1.00 32.24 H new ATOM 1123 N VAL A 78 -15.304 10.967 -0.016 1.00 24.23 N ATOM 1124 CA VAL A 78 -14.982 12.388 -0.075 1.00 74.33 C ATOM 1125 C VAL A 78 -15.972 13.138 -0.959 1.00 52.23 C ATOM 1126 O VAL A 78 -16.236 14.322 -0.748 1.00 43.23 O ATOM 1127 CB VAL A 78 -13.556 12.619 -0.609 1.00 73.02 C ATOM 1128 CG1 VAL A 78 -13.462 12.216 -2.073 1.00 30.32 C ATOM 1129 CG2 VAL A 78 -13.146 14.072 -0.420 1.00 72.35 C ATOM 0 H VAL A 78 -14.522 10.349 -0.230 1.00 24.23 H new ATOM 0 HA VAL A 78 -15.046 12.770 0.944 1.00 74.33 H new ATOM 0 HB VAL A 78 -12.868 11.994 -0.040 1.00 73.02 H new ATOM 0 HG11 VAL A 78 -12.447 12.386 -2.433 1.00 30.32 H new ATOM 0 HG12 VAL A 78 -13.711 11.160 -2.176 1.00 30.32 H new ATOM 0 HG13 VAL A 78 -14.160 12.813 -2.660 1.00 30.32 H new ATOM 0 HG21 VAL A 78 -12.136 14.218 -0.803 1.00 72.35 H new ATOM 0 HG22 VAL A 78 -13.836 14.718 -0.962 1.00 72.35 H new ATOM 0 HG23 VAL A 78 -13.172 14.322 0.641 1.00 72.35 H new ATOM 1139 N PHE A 79 -16.518 12.441 -1.950 1.00 54.43 N ATOM 1140 CA PHE A 79 -17.480 13.042 -2.868 1.00 23.22 C ATOM 1141 C PHE A 79 -18.612 13.721 -2.102 1.00 63.51 C ATOM 1142 O PHE A 79 -18.949 14.874 -2.366 1.00 11.21 O ATOM 1143 CB PHE A 79 -18.051 11.979 -3.809 1.00 1.11 C ATOM 1144 CG PHE A 79 -19.210 12.466 -4.630 1.00 52.41 C ATOM 1145 CD1 PHE A 79 -20.453 11.862 -4.526 1.00 64.12 C ATOM 1146 CD2 PHE A 79 -19.057 13.529 -5.507 1.00 34.25 C ATOM 1147 CE1 PHE A 79 -21.522 12.308 -5.280 1.00 43.12 C ATOM 1148 CE2 PHE A 79 -20.123 13.980 -6.263 1.00 21.53 C ATOM 1149 CZ PHE A 79 -21.356 13.368 -6.150 1.00 71.34 C ATOM 0 H PHE A 79 -16.311 11.460 -2.138 1.00 54.43 H new ATOM 0 HA PHE A 79 -16.960 13.797 -3.457 1.00 23.22 H new ATOM 0 HB2 PHE A 79 -17.262 11.635 -4.477 1.00 1.11 H new ATOM 0 HB3 PHE A 79 -18.369 11.118 -3.221 1.00 1.11 H new ATOM 0 HD1 PHE A 79 -20.588 11.033 -3.847 1.00 64.12 H new ATOM 0 HD2 PHE A 79 -18.095 14.010 -5.601 1.00 34.25 H new ATOM 0 HE1 PHE A 79 -22.485 11.829 -5.189 1.00 43.12 H new ATOM 0 HE2 PHE A 79 -19.992 14.810 -6.941 1.00 21.53 H new ATOM 0 HZ PHE A 79 -22.189 13.718 -6.741 1.00 71.34 H new ATOM 1159 N MET A 80 -19.194 12.995 -1.153 1.00 52.10 N ATOM 1160 CA MET A 80 -20.288 13.527 -0.348 1.00 61.12 C ATOM 1161 C MET A 80 -19.768 14.093 0.969 1.00 0.03 C ATOM 1162 O MET A 80 -20.439 14.893 1.621 1.00 13.13 O ATOM 1163 CB MET A 80 -21.325 12.436 -0.074 1.00 50.12 C ATOM 1164 CG MET A 80 -22.644 12.656 -0.797 1.00 11.41 C ATOM 1165 SD MET A 80 -23.790 11.280 -0.587 1.00 24.14 S ATOM 1166 CE MET A 80 -24.524 11.199 -2.218 1.00 34.30 C ATOM 0 H MET A 80 -18.927 12.038 -0.923 1.00 52.10 H new ATOM 0 HA MET A 80 -20.760 14.334 -0.909 1.00 61.12 H new ATOM 0 HB2 MET A 80 -20.913 11.472 -0.372 1.00 50.12 H new ATOM 0 HB3 MET A 80 -21.512 12.385 0.999 1.00 50.12 H new ATOM 0 HG2 MET A 80 -23.108 13.570 -0.427 1.00 11.41 H new ATOM 0 HG3 MET A 80 -22.451 12.804 -1.860 1.00 11.41 H new ATOM 0 HE1 MET A 80 -25.257 10.393 -2.247 1.00 34.30 H new ATOM 0 HE2 MET A 80 -25.016 12.145 -2.443 1.00 34.30 H new ATOM 0 HE3 MET A 80 -23.746 11.009 -2.958 1.00 34.30 H new ATOM 1176 N LYS A 81 -18.568 13.673 1.356 1.00 34.34 N ATOM 1177 CA LYS A 81 -17.957 14.138 2.596 1.00 52.03 C ATOM 1178 C LYS A 81 -17.632 15.626 2.517 1.00 54.32 C ATOM 1179 O LYS A 81 -18.099 16.418 3.337 1.00 61.42 O ATOM 1180 CB LYS A 81 -16.684 13.342 2.891 1.00 43.24 C ATOM 1181 CG LYS A 81 -16.380 13.207 4.373 1.00 54.32 C ATOM 1182 CD LYS A 81 -16.274 11.750 4.790 1.00 71.03 C ATOM 1183 CE LYS A 81 -17.646 11.132 5.011 1.00 12.12 C ATOM 1184 NZ LYS A 81 -17.886 10.813 6.446 1.00 40.31 N ATOM 0 H LYS A 81 -17.999 13.011 0.828 1.00 34.34 H new ATOM 0 HA LYS A 81 -18.671 13.982 3.405 1.00 52.03 H new ATOM 0 HB2 LYS A 81 -16.779 12.347 2.456 1.00 43.24 H new ATOM 0 HB3 LYS A 81 -15.841 13.826 2.398 1.00 43.24 H new ATOM 0 HG2 LYS A 81 -15.446 13.721 4.602 1.00 54.32 H new ATOM 0 HG3 LYS A 81 -17.163 13.696 4.952 1.00 54.32 H new ATOM 0 HD2 LYS A 81 -15.740 11.189 4.023 1.00 71.03 H new ATOM 0 HD3 LYS A 81 -15.688 11.674 5.706 1.00 71.03 H new ATOM 0 HE2 LYS A 81 -18.415 11.819 4.658 1.00 12.12 H new ATOM 0 HE3 LYS A 81 -17.735 10.222 4.417 1.00 12.12 H new ATOM 0 HZ1 LYS A 81 -18.831 10.394 6.555 1.00 40.31 H new ATOM 0 HZ2 LYS A 81 -17.167 10.138 6.776 1.00 40.31 H new ATOM 0 HZ3 LYS A 81 -17.827 11.685 7.010 1.00 40.31 H new ATOM 1198 N TYR A 82 -16.832 16.001 1.525 1.00 21.42 N ATOM 1199 CA TYR A 82 -16.444 17.394 1.340 1.00 34.01 C ATOM 1200 C TYR A 82 -16.859 17.896 -0.040 1.00 2.14 C ATOM 1201 O TYR A 82 -17.099 19.087 -0.233 1.00 72.01 O ATOM 1202 CB TYR A 82 -14.934 17.553 1.521 1.00 41.43 C ATOM 1203 CG TYR A 82 -14.373 16.748 2.671 1.00 71.11 C ATOM 1204 CD1 TYR A 82 -13.302 15.884 2.482 1.00 63.41 C ATOM 1205 CD2 TYR A 82 -14.915 16.850 3.946 1.00 11.20 C ATOM 1206 CE1 TYR A 82 -12.786 15.145 3.529 1.00 34.05 C ATOM 1207 CE2 TYR A 82 -14.405 16.117 5.000 1.00 73.33 C ATOM 1208 CZ TYR A 82 -13.341 15.265 4.787 1.00 52.45 C ATOM 1209 OH TYR A 82 -12.831 14.532 5.833 1.00 35.13 O ATOM 0 H TYR A 82 -16.439 15.359 0.836 1.00 21.42 H new ATOM 0 HA TYR A 82 -16.958 17.991 2.093 1.00 34.01 H new ATOM 0 HB2 TYR A 82 -14.433 17.253 0.601 1.00 41.43 H new ATOM 0 HB3 TYR A 82 -14.705 18.607 1.680 1.00 41.43 H new ATOM 0 HD1 TYR A 82 -12.865 15.788 1.499 1.00 63.41 H new ATOM 0 HD2 TYR A 82 -15.750 17.514 4.116 1.00 11.20 H new ATOM 0 HE1 TYR A 82 -11.953 14.477 3.364 1.00 34.05 H new ATOM 0 HE2 TYR A 82 -14.837 16.210 5.985 1.00 73.33 H new ATOM 0 HH TYR A 82 -11.895 14.307 5.649 1.00 35.13 H new ATOM 1219 N GLY A 83 -16.941 16.977 -0.997 1.00 24.21 N ATOM 1220 CA GLY A 83 -17.326 17.344 -2.347 1.00 34.11 C ATOM 1221 C GLY A 83 -16.497 18.488 -2.896 1.00 72.21 C ATOM 1222 O GLY A 83 -16.995 19.602 -3.056 1.00 21.12 O ATOM 0 H GLY A 83 -16.748 15.985 -0.861 1.00 24.21 H new ATOM 0 HA2 GLY A 83 -17.221 16.477 -3.000 1.00 34.11 H new ATOM 0 HA3 GLY A 83 -18.379 17.625 -2.357 1.00 34.11 H new ATOM 1226 N GLN A 84 -15.229 18.213 -3.184 1.00 32.51 N ATOM 1227 CA GLN A 84 -14.329 19.229 -3.716 1.00 32.10 C ATOM 1228 C GLN A 84 -14.357 20.486 -2.853 1.00 40.11 C ATOM 1229 O GLN A 84 -14.669 21.574 -3.336 1.00 3.21 O ATOM 1230 CB GLN A 84 -14.712 19.576 -5.156 1.00 24.41 C ATOM 1231 CG GLN A 84 -14.369 18.483 -6.156 1.00 51.42 C ATOM 1232 CD GLN A 84 -15.524 18.158 -7.083 1.00 44.23 C ATOM 1233 OE1 GLN A 84 -16.193 19.054 -7.597 1.00 54.55 O ATOM 1234 NE2 GLN A 84 -15.763 16.871 -7.302 1.00 63.54 N ATOM 0 H GLN A 84 -14.802 17.295 -3.058 1.00 32.51 H new ATOM 0 HA GLN A 84 -13.317 18.824 -3.704 1.00 32.10 H new ATOM 0 HB2 GLN A 84 -15.783 19.775 -5.201 1.00 24.41 H new ATOM 0 HB3 GLN A 84 -14.204 20.496 -5.447 1.00 24.41 H new ATOM 0 HG2 GLN A 84 -13.509 18.795 -6.749 1.00 51.42 H new ATOM 0 HG3 GLN A 84 -14.075 17.582 -5.617 1.00 51.42 H new ATOM 0 HE21 GLN A 84 -15.183 16.161 -6.855 1.00 63.54 H new ATOM 0 HE22 GLN A 84 -16.527 16.592 -7.918 1.00 63.54 H new ATOM 1243 N GLU A 85 -14.029 20.328 -1.574 1.00 74.15 N ATOM 1244 CA GLU A 85 -14.018 21.451 -0.645 1.00 14.22 C ATOM 1245 C GLU A 85 -13.506 21.018 0.726 1.00 50.12 C ATOM 1246 O GLU A 85 -14.284 20.849 1.666 1.00 65.14 O ATOM 1247 CB GLU A 85 -15.422 22.046 -0.512 1.00 70.21 C ATOM 1248 CG GLU A 85 -15.427 23.513 -0.117 1.00 24.14 C ATOM 1249 CD GLU A 85 -16.821 24.107 -0.097 1.00 15.33 C ATOM 1250 OE1 GLU A 85 -16.976 25.238 0.410 1.00 54.53 O ATOM 1251 OE2 GLU A 85 -17.758 23.442 -0.587 1.00 4.13 O ATOM 0 H GLU A 85 -13.768 19.434 -1.159 1.00 74.15 H new ATOM 0 HA GLU A 85 -13.345 22.211 -1.042 1.00 14.22 H new ATOM 0 HB2 GLU A 85 -15.947 21.932 -1.460 1.00 70.21 H new ATOM 0 HB3 GLU A 85 -15.980 21.476 0.231 1.00 70.21 H new ATOM 0 HG2 GLU A 85 -14.976 23.621 0.869 1.00 24.14 H new ATOM 0 HG3 GLU A 85 -14.807 24.075 -0.815 1.00 24.14 H new ATOM 1258 N ILE A 86 -12.193 20.840 0.831 1.00 55.11 N ATOM 1259 CA ILE A 86 -11.577 20.427 2.086 1.00 52.43 C ATOM 1260 C ILE A 86 -10.298 21.213 2.354 1.00 31.14 C ATOM 1261 O ILE A 86 -9.550 21.535 1.431 1.00 10.23 O ATOM 1262 CB ILE A 86 -11.251 18.922 2.084 1.00 11.25 C ATOM 1263 CG1 ILE A 86 -10.574 18.524 3.397 1.00 23.22 C ATOM 1264 CG2 ILE A 86 -10.365 18.573 0.898 1.00 54.12 C ATOM 1265 CD1 ILE A 86 -10.234 17.052 3.480 1.00 50.04 C ATOM 0 H ILE A 86 -11.536 20.975 0.063 1.00 55.11 H new ATOM 0 HA ILE A 86 -12.299 20.633 2.876 1.00 52.43 H new ATOM 0 HB ILE A 86 -12.183 18.363 1.993 1.00 11.25 H new ATOM 0 HG12 ILE A 86 -9.661 19.107 3.517 1.00 23.22 H new ATOM 0 HG13 ILE A 86 -11.230 18.785 4.228 1.00 23.22 H new ATOM 0 HG21 ILE A 86 -10.144 17.506 0.911 1.00 54.12 H new ATOM 0 HG22 ILE A 86 -10.881 18.825 -0.028 1.00 54.12 H new ATOM 0 HG23 ILE A 86 -9.435 19.137 0.960 1.00 54.12 H new ATOM 0 HD11 ILE A 86 -9.757 16.842 4.437 1.00 50.04 H new ATOM 0 HD12 ILE A 86 -11.147 16.462 3.392 1.00 50.04 H new ATOM 0 HD13 ILE A 86 -9.553 16.790 2.670 1.00 50.04 H new ATOM 1277 N ARG A 87 -10.052 21.516 3.625 1.00 54.43 N ATOM 1278 CA ARG A 87 -8.863 22.264 4.016 1.00 71.35 C ATOM 1279 C ARG A 87 -7.796 21.331 4.580 1.00 63.43 C ATOM 1280 O ARG A 87 -8.109 20.340 5.241 1.00 63.51 O ATOM 1281 CB ARG A 87 -9.223 23.330 5.052 1.00 44.45 C ATOM 1282 CG ARG A 87 -8.152 24.395 5.226 1.00 52.33 C ATOM 1283 CD ARG A 87 -7.900 25.149 3.929 1.00 15.54 C ATOM 1284 NE ARG A 87 -7.461 26.521 4.171 1.00 54.33 N ATOM 1285 CZ ARG A 87 -8.249 27.468 4.669 1.00 42.14 C ATOM 1286 NH1 ARG A 87 -9.509 27.193 4.977 1.00 64.01 N ATOM 1287 NH2 ARG A 87 -7.776 28.693 4.860 1.00 51.23 N ATOM 0 H ARG A 87 -10.660 21.255 4.401 1.00 54.43 H new ATOM 0 HA ARG A 87 -8.462 22.752 3.127 1.00 71.35 H new ATOM 0 HB2 ARG A 87 -10.157 23.810 4.758 1.00 44.45 H new ATOM 0 HB3 ARG A 87 -9.402 22.846 6.012 1.00 44.45 H new ATOM 0 HG2 ARG A 87 -8.458 25.096 6.002 1.00 52.33 H new ATOM 0 HG3 ARG A 87 -7.226 23.930 5.563 1.00 52.33 H new ATOM 0 HD2 ARG A 87 -7.144 24.624 3.345 1.00 15.54 H new ATOM 0 HD3 ARG A 87 -8.812 25.160 3.333 1.00 15.54 H new ATOM 0 HE ARG A 87 -6.497 26.766 3.945 1.00 54.33 H new ATOM 0 HH11 ARG A 87 -9.876 26.252 4.832 1.00 64.01 H new ATOM 0 HH12 ARG A 87 -10.111 27.922 5.359 1.00 64.01 H new ATOM 0 HH21 ARG A 87 -6.807 28.908 4.624 1.00 51.23 H new ATOM 0 HH22 ARG A 87 -8.381 29.420 5.242 1.00 51.23 H new ATOM 1301 N LEU A 88 -6.535 21.653 4.314 1.00 1.50 N ATOM 1302 CA LEU A 88 -5.420 20.844 4.795 1.00 53.24 C ATOM 1303 C LEU A 88 -4.716 21.526 5.963 1.00 13.33 C ATOM 1304 O LEU A 88 -4.068 22.560 5.793 1.00 75.43 O ATOM 1305 CB LEU A 88 -4.424 20.590 3.662 1.00 23.44 C ATOM 1306 CG LEU A 88 -4.677 19.344 2.813 1.00 72.04 C ATOM 1307 CD1 LEU A 88 -4.366 18.084 3.606 1.00 52.32 C ATOM 1308 CD2 LEU A 88 -6.115 19.322 2.315 1.00 70.43 C ATOM 0 H LEU A 88 -6.259 22.469 3.768 1.00 1.50 H new ATOM 0 HA LEU A 88 -5.818 19.890 5.142 1.00 53.24 H new ATOM 0 HB2 LEU A 88 -4.423 21.459 3.004 1.00 23.44 H new ATOM 0 HB3 LEU A 88 -3.426 20.515 4.093 1.00 23.44 H new ATOM 0 HG LEU A 88 -4.014 19.376 1.948 1.00 72.04 H new ATOM 0 HD11 LEU A 88 -4.552 17.208 2.985 1.00 52.32 H new ATOM 0 HD12 LEU A 88 -3.320 18.096 3.912 1.00 52.32 H new ATOM 0 HD13 LEU A 88 -5.003 18.044 4.490 1.00 52.32 H new ATOM 0 HD21 LEU A 88 -6.278 18.428 1.712 1.00 70.43 H new ATOM 0 HD22 LEU A 88 -6.795 19.314 3.167 1.00 70.43 H new ATOM 0 HD23 LEU A 88 -6.304 20.208 1.709 1.00 70.43 H new ATOM 1320 N ILE A 89 -4.846 20.941 7.149 1.00 70.52 N ATOM 1321 CA ILE A 89 -4.219 21.490 8.345 1.00 55.24 C ATOM 1322 C ILE A 89 -3.496 20.405 9.134 1.00 21.24 C ATOM 1323 O ILE A 89 -4.029 19.323 9.383 1.00 50.21 O ATOM 1324 CB ILE A 89 -5.254 22.172 9.259 1.00 21.15 C ATOM 1325 CG1 ILE A 89 -6.009 23.258 8.491 1.00 75.00 C ATOM 1326 CG2 ILE A 89 -4.571 22.760 10.485 1.00 42.31 C ATOM 1327 CD1 ILE A 89 -7.163 23.855 9.266 1.00 73.21 C ATOM 0 H ILE A 89 -5.380 20.087 7.307 1.00 70.52 H new ATOM 0 HA ILE A 89 -3.496 22.234 8.010 1.00 55.24 H new ATOM 0 HB ILE A 89 -5.973 21.423 9.591 1.00 21.15 H new ATOM 0 HG12 ILE A 89 -5.313 24.052 8.222 1.00 75.00 H new ATOM 0 HG13 ILE A 89 -6.387 22.837 7.559 1.00 75.00 H new ATOM 0 HG21 ILE A 89 -5.315 23.239 11.122 1.00 42.31 H new ATOM 0 HG22 ILE A 89 -4.075 21.965 11.042 1.00 42.31 H new ATOM 0 HG23 ILE A 89 -3.833 23.498 10.171 1.00 42.31 H new ATOM 0 HD11 ILE A 89 -7.652 24.618 8.660 1.00 73.21 H new ATOM 0 HD12 ILE A 89 -7.880 23.072 9.512 1.00 73.21 H new ATOM 0 HD13 ILE A 89 -6.789 24.306 10.185 1.00 73.21 H new ATOM 1339 N PRO A 90 -2.252 20.699 9.541 1.00 60.30 N ATOM 1340 CA PRO A 90 -1.429 19.762 10.311 1.00 22.33 C ATOM 1341 C PRO A 90 -1.951 19.563 11.730 1.00 22.31 C ATOM 1342 O PRO A 90 -1.802 20.436 12.585 1.00 42.34 O ATOM 1343 CB PRO A 90 -0.054 20.435 10.337 1.00 54.13 C ATOM 1344 CG PRO A 90 -0.341 21.887 10.166 1.00 43.11 C ATOM 1345 CD PRO A 90 -1.553 21.969 9.281 1.00 74.45 C ATOM 0 HA PRO A 90 -1.423 18.766 9.868 1.00 22.33 H new ATOM 0 HB2 PRO A 90 0.464 20.242 11.276 1.00 54.13 H new ATOM 0 HB3 PRO A 90 0.585 20.061 9.537 1.00 54.13 H new ATOM 0 HG2 PRO A 90 -0.528 22.364 11.128 1.00 43.11 H new ATOM 0 HG3 PRO A 90 0.507 22.402 9.715 1.00 43.11 H new ATOM 0 HD2 PRO A 90 -2.175 22.828 9.530 1.00 74.45 H new ATOM 0 HD3 PRO A 90 -1.278 22.069 8.231 1.00 74.45 H new ATOM 1353 N ARG A 91 -2.562 18.408 11.974 1.00 14.32 N ATOM 1354 CA ARG A 91 -3.107 18.095 13.290 1.00 50.42 C ATOM 1355 C ARG A 91 -2.425 16.866 13.882 1.00 21.32 C ATOM 1356 O ARG A 91 -1.814 16.075 13.163 1.00 42.53 O ATOM 1357 CB ARG A 91 -4.616 17.860 13.198 1.00 41.30 C ATOM 1358 CG ARG A 91 -5.434 18.815 14.051 1.00 12.53 C ATOM 1359 CD ARG A 91 -5.663 18.258 15.448 1.00 40.53 C ATOM 1360 NE ARG A 91 -6.862 18.814 16.069 1.00 0.50 N ATOM 1361 CZ ARG A 91 -6.914 20.025 16.614 1.00 64.12 C ATOM 1362 NH1 ARG A 91 -5.839 20.802 16.613 1.00 13.03 N ATOM 1363 NH2 ARG A 91 -8.042 20.460 17.160 1.00 3.41 N ATOM 0 H ARG A 91 -2.692 17.674 11.278 1.00 14.32 H new ATOM 0 HA ARG A 91 -2.918 18.945 13.946 1.00 50.42 H new ATOM 0 HB2 ARG A 91 -4.928 17.957 12.158 1.00 41.30 H new ATOM 0 HB3 ARG A 91 -4.835 16.836 13.502 1.00 41.30 H new ATOM 0 HG2 ARG A 91 -4.920 19.774 14.120 1.00 12.53 H new ATOM 0 HG3 ARG A 91 -6.394 19.002 13.571 1.00 12.53 H new ATOM 0 HD2 ARG A 91 -5.752 17.173 15.396 1.00 40.53 H new ATOM 0 HD3 ARG A 91 -4.797 18.477 16.072 1.00 40.53 H new ATOM 0 HE ARG A 91 -7.706 18.241 16.085 1.00 0.50 H new ATOM 0 HH11 ARG A 91 -4.970 20.470 16.193 1.00 13.03 H new ATOM 0 HH12 ARG A 91 -5.881 21.731 17.032 1.00 13.03 H new ATOM 0 HH21 ARG A 91 -8.870 19.865 17.162 1.00 3.41 H new ATOM 0 HH22 ARG A 91 -8.081 21.390 17.578 1.00 3.41 H new ATOM 1377 N ASP A 92 -2.534 16.711 15.197 1.00 5.42 N ATOM 1378 CA ASP A 92 -1.928 15.578 15.887 1.00 61.04 C ATOM 1379 C ASP A 92 -0.408 15.619 15.768 1.00 64.24 C ATOM 1380 O ASP A 92 0.245 14.580 15.667 1.00 60.25 O ATOM 1381 CB ASP A 92 -2.461 14.263 15.317 1.00 74.33 C ATOM 1382 CG ASP A 92 -2.487 13.152 16.349 1.00 44.53 C ATOM 1383 OD1 ASP A 92 -1.404 12.627 16.682 1.00 63.22 O ATOM 1384 OD2 ASP A 92 -3.589 12.810 16.824 1.00 32.11 O ATOM 0 H ASP A 92 -3.037 17.356 15.807 1.00 5.42 H new ATOM 0 HA ASP A 92 -2.194 15.642 16.942 1.00 61.04 H new ATOM 0 HB2 ASP A 92 -3.468 14.420 14.931 1.00 74.33 H new ATOM 0 HB3 ASP A 92 -1.840 13.958 14.474 1.00 74.33 H new ATOM 1389 N ARG A 93 0.150 16.825 15.779 1.00 14.33 N ATOM 1390 CA ARG A 93 1.593 17.001 15.670 1.00 13.44 C ATOM 1391 C ARG A 93 2.010 18.386 16.159 1.00 71.44 C ATOM 1392 O ARG A 93 3.039 18.918 15.743 1.00 23.13 O ATOM 1393 CB ARG A 93 2.044 16.802 14.222 1.00 4.05 C ATOM 1394 CG ARG A 93 3.479 16.316 14.093 1.00 12.14 C ATOM 1395 CD ARG A 93 3.835 16.010 12.647 1.00 3.41 C ATOM 1396 NE ARG A 93 5.066 16.679 12.234 1.00 51.45 N ATOM 1397 CZ ARG A 93 6.271 16.343 12.679 1.00 20.43 C ATOM 1398 NH1 ARG A 93 6.407 15.350 13.548 1.00 73.14 N ATOM 1399 NH2 ARG A 93 7.344 16.999 12.256 1.00 73.01 N ATOM 0 H ARG A 93 -0.376 17.695 15.862 1.00 14.33 H new ATOM 0 HA ARG A 93 2.074 16.252 16.299 1.00 13.44 H new ATOM 0 HB2 ARG A 93 1.381 16.084 13.739 1.00 4.05 H new ATOM 0 HB3 ARG A 93 1.939 17.744 13.685 1.00 4.05 H new ATOM 0 HG2 ARG A 93 4.158 17.074 14.483 1.00 12.14 H new ATOM 0 HG3 ARG A 93 3.617 15.421 14.700 1.00 12.14 H new ATOM 0 HD2 ARG A 93 3.948 14.933 12.521 1.00 3.41 H new ATOM 0 HD3 ARG A 93 3.017 16.323 11.998 1.00 3.41 H new ATOM 0 HE ARG A 93 4.996 17.447 11.567 1.00 51.45 H new ATOM 0 HH11 ARG A 93 5.585 14.843 13.876 1.00 73.14 H new ATOM 0 HH12 ARG A 93 7.334 15.094 13.888 1.00 73.14 H new ATOM 0 HH21 ARG A 93 7.244 17.763 11.588 1.00 73.01 H new ATOM 0 HH22 ARG A 93 8.269 16.739 12.599 1.00 73.01 H new ATOM 1413 N VAL A 94 1.203 18.964 17.043 1.00 71.33 N ATOM 1414 CA VAL A 94 1.488 20.285 17.588 1.00 0.42 C ATOM 1415 C VAL A 94 0.937 20.427 19.003 1.00 61.24 C ATOM 1416 O VAL A 94 1.693 20.536 19.967 1.00 65.23 O ATOM 1417 CB VAL A 94 0.894 21.398 16.704 1.00 74.31 C ATOM 1418 CG1 VAL A 94 1.171 22.766 17.308 1.00 60.10 C ATOM 1419 CG2 VAL A 94 1.448 21.307 15.290 1.00 1.53 C ATOM 0 H VAL A 94 0.347 18.538 17.397 1.00 71.33 H new ATOM 0 HA VAL A 94 2.573 20.390 17.611 1.00 0.42 H new ATOM 0 HB VAL A 94 -0.186 21.262 16.656 1.00 74.31 H new ATOM 0 HG11 VAL A 94 0.744 23.539 16.669 1.00 60.10 H new ATOM 0 HG12 VAL A 94 0.721 22.824 18.299 1.00 60.10 H new ATOM 0 HG13 VAL A 94 2.247 22.917 17.389 1.00 60.10 H new ATOM 0 HG21 VAL A 94 1.018 22.101 14.679 1.00 1.53 H new ATOM 0 HG22 VAL A 94 2.532 21.416 15.316 1.00 1.53 H new ATOM 0 HG23 VAL A 94 1.191 20.339 14.860 1.00 1.53 H new ATOM 1429 N GLY A 95 -0.387 20.424 19.119 1.00 35.32 N ATOM 1430 CA GLY A 95 -1.018 20.552 20.420 1.00 60.10 C ATOM 1431 C GLY A 95 -2.356 19.843 20.488 1.00 21.42 C ATOM 1432 O GLY A 95 -3.036 19.883 21.514 1.00 64.23 O ATOM 0 H GLY A 95 -1.034 20.335 18.336 1.00 35.32 H new ATOM 0 HA2 GLY A 95 -0.355 20.145 21.183 1.00 60.10 H new ATOM 0 HA3 GLY A 95 -1.158 21.608 20.650 1.00 60.10 H new TER 1436 GLY A 95