USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 526 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 61 ASN : amide:sc= 1.05 K(o=2,f=-6.7!) USER MOD Set 1.2: A 64 THR OG1 : rot -68:sc= 0.986 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 9 TYR OH : rot -150:sc= 0.00376 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.0399 X(o=-0.04,f=-0.096) USER MOD Single : A 50 CYS SG : rot 3:sc= 0.0445 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 135:sc= -0.845 (180deg=-2.62!) USER MOD Single : A 66 GLN : amide:sc= -0.354 X(o=-0.35,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLY A 6 0.349 -0.046 12.703 1.00 24.44 N ATOM 67 CA GLY A 6 -0.298 0.178 11.414 1.00 41.30 C ATOM 68 C GLY A 6 0.099 1.505 10.777 1.00 32.13 C ATOM 69 O GLY A 6 0.345 2.485 11.481 1.00 24.03 O ATOM 0 HA2 GLY A 6 -0.040 -0.636 10.737 1.00 41.30 H new ATOM 0 HA3 GLY A 6 -1.380 0.153 11.546 1.00 41.30 H new ATOM 73 N PHE A 7 0.159 1.539 9.448 1.00 21.43 N ATOM 74 CA PHE A 7 0.549 2.752 8.713 1.00 33.43 C ATOM 75 C PHE A 7 -0.484 3.131 7.642 1.00 23.20 C ATOM 76 O PHE A 7 -1.268 2.296 7.184 1.00 45.21 O ATOM 77 CB PHE A 7 1.921 2.555 8.055 1.00 64.22 C ATOM 78 CG PHE A 7 3.036 2.298 9.038 1.00 53.54 C ATOM 79 CD1 PHE A 7 3.526 3.323 9.835 1.00 74.42 C ATOM 80 CD2 PHE A 7 3.597 1.035 9.160 1.00 72.14 C ATOM 81 CE1 PHE A 7 4.548 3.092 10.736 1.00 21.13 C ATOM 82 CE2 PHE A 7 4.618 0.800 10.059 1.00 44.54 C ATOM 83 CZ PHE A 7 5.097 1.829 10.847 1.00 64.02 C ATOM 0 H PHE A 7 -0.057 0.741 8.851 1.00 21.43 H new ATOM 0 HA PHE A 7 0.599 3.566 9.436 1.00 33.43 H new ATOM 0 HB2 PHE A 7 1.863 1.718 7.359 1.00 64.22 H new ATOM 0 HB3 PHE A 7 2.163 3.441 7.469 1.00 64.22 H new ATOM 0 HD1 PHE A 7 3.103 4.313 9.750 1.00 74.42 H new ATOM 0 HD2 PHE A 7 3.231 0.226 8.545 1.00 72.14 H new ATOM 0 HE1 PHE A 7 4.917 3.898 11.353 1.00 21.13 H new ATOM 0 HE2 PHE A 7 5.043 -0.189 10.146 1.00 44.54 H new ATOM 0 HZ PHE A 7 5.898 1.647 11.548 1.00 64.02 H new ATOM 93 N GLN A 8 -0.473 4.401 7.248 1.00 24.23 N ATOM 94 CA GLN A 8 -1.380 4.915 6.216 1.00 73.35 C ATOM 95 C GLN A 8 -0.613 5.325 4.951 1.00 71.32 C ATOM 96 O GLN A 8 0.348 6.098 5.014 1.00 70.50 O ATOM 97 CB GLN A 8 -2.163 6.127 6.743 1.00 5.33 C ATOM 98 CG GLN A 8 -3.023 5.834 7.966 1.00 30.52 C ATOM 99 CD GLN A 8 -3.800 7.050 8.444 1.00 13.25 C ATOM 100 OE1 GLN A 8 -3.366 8.187 8.283 1.00 34.22 O ATOM 101 NE2 GLN A 8 -4.954 6.824 9.040 1.00 53.11 N ATOM 0 H GLN A 8 0.160 5.103 7.630 1.00 24.23 H new ATOM 0 HA GLN A 8 -2.072 4.112 5.963 1.00 73.35 H new ATOM 0 HB2 GLN A 8 -1.458 6.921 6.991 1.00 5.33 H new ATOM 0 HB3 GLN A 8 -2.803 6.506 5.946 1.00 5.33 H new ATOM 0 HG2 GLN A 8 -3.722 5.032 7.729 1.00 30.52 H new ATOM 0 HG3 GLN A 8 -2.387 5.474 8.774 1.00 30.52 H new ATOM 0 HE21 GLN A 8 -5.288 5.868 9.159 1.00 53.11 H new ATOM 0 HE22 GLN A 8 -5.513 7.606 9.382 1.00 53.11 H new ATOM 110 N TYR A 9 -1.044 4.805 3.811 1.00 52.34 N ATOM 111 CA TYR A 9 -0.487 5.194 2.512 1.00 5.05 C ATOM 112 C TYR A 9 -1.527 5.982 1.706 1.00 33.42 C ATOM 113 O TYR A 9 -2.714 5.947 2.018 1.00 11.04 O ATOM 114 CB TYR A 9 -0.037 3.949 1.737 1.00 2.43 C ATOM 115 CG TYR A 9 1.072 3.176 2.431 1.00 35.33 C ATOM 116 CD1 TYR A 9 0.782 2.246 3.426 1.00 5.32 C ATOM 117 CD2 TYR A 9 2.409 3.385 2.103 1.00 44.31 C ATOM 118 CE1 TYR A 9 1.788 1.548 4.066 1.00 3.35 C ATOM 119 CE2 TYR A 9 3.418 2.688 2.741 1.00 33.43 C ATOM 120 CZ TYR A 9 3.101 1.772 3.720 1.00 64.03 C ATOM 121 OH TYR A 9 4.103 1.076 4.355 1.00 23.41 O ATOM 0 H TYR A 9 -1.784 4.106 3.754 1.00 52.34 H new ATOM 0 HA TYR A 9 0.381 5.833 2.676 1.00 5.05 H new ATOM 0 HB2 TYR A 9 -0.894 3.291 1.592 1.00 2.43 H new ATOM 0 HB3 TYR A 9 0.304 4.250 0.747 1.00 2.43 H new ATOM 0 HD1 TYR A 9 -0.247 2.067 3.702 1.00 5.32 H new ATOM 0 HD2 TYR A 9 2.662 4.104 1.337 1.00 44.31 H new ATOM 0 HE1 TYR A 9 1.545 0.829 4.835 1.00 3.35 H new ATOM 0 HE2 TYR A 9 4.450 2.861 2.473 1.00 33.43 H new ATOM 0 HH TYR A 9 4.915 1.624 4.382 1.00 23.41 H new ATOM 131 N ARG A 10 -1.091 6.692 0.673 1.00 41.33 N ATOM 132 CA ARG A 10 -2.007 7.511 -0.127 1.00 52.04 C ATOM 133 C ARG A 10 -1.784 7.302 -1.632 1.00 61.15 C ATOM 134 O ARG A 10 -0.673 7.478 -2.140 1.00 33.44 O ATOM 135 CB ARG A 10 -1.835 8.991 0.236 1.00 42.35 C ATOM 136 CG ARG A 10 -2.826 9.929 -0.445 1.00 60.22 C ATOM 137 CD ARG A 10 -2.535 11.386 -0.095 1.00 5.23 C ATOM 138 NE ARG A 10 -3.477 12.314 -0.715 1.00 41.01 N ATOM 139 CZ ARG A 10 -3.130 13.288 -1.512 1.00 62.44 C ATOM 140 NH1 ARG A 10 -1.890 13.453 -1.856 1.00 41.35 N ATOM 141 NH2 ARG A 10 -4.026 14.095 -1.974 1.00 55.34 N ATOM 0 H ARG A 10 -0.118 6.721 0.367 1.00 41.33 H new ATOM 0 HA ARG A 10 -3.026 7.199 0.101 1.00 52.04 H new ATOM 0 HB2 ARG A 10 -1.934 9.101 1.316 1.00 42.35 H new ATOM 0 HB3 ARG A 10 -0.823 9.301 -0.025 1.00 42.35 H new ATOM 0 HG2 ARG A 10 -2.775 9.794 -1.525 1.00 60.22 H new ATOM 0 HG3 ARG A 10 -3.841 9.674 -0.140 1.00 60.22 H new ATOM 0 HD2 ARG A 10 -2.569 11.509 0.987 1.00 5.23 H new ATOM 0 HD3 ARG A 10 -1.523 11.636 -0.412 1.00 5.23 H new ATOM 0 HE ARG A 10 -4.469 12.193 -0.512 1.00 41.01 H new ATOM 0 HH11 ARG A 10 -1.174 12.818 -1.503 1.00 41.35 H new ATOM 0 HH12 ARG A 10 -1.631 14.218 -2.479 1.00 41.35 H new ATOM 0 HH21 ARG A 10 -5.005 13.972 -1.716 1.00 55.34 H new ATOM 0 HH22 ARG A 10 -3.755 14.856 -2.597 1.00 55.34 H new ATOM 155 N ALA A 11 -2.849 6.922 -2.333 1.00 74.11 N ATOM 156 CA ALA A 11 -2.801 6.743 -3.784 1.00 71.14 C ATOM 157 C ALA A 11 -2.834 8.099 -4.503 1.00 10.13 C ATOM 158 O ALA A 11 -3.755 8.886 -4.308 1.00 2.32 O ATOM 159 CB ALA A 11 -3.966 5.874 -4.240 1.00 53.01 C ATOM 0 H ALA A 11 -3.761 6.731 -1.918 1.00 74.11 H new ATOM 0 HA ALA A 11 -1.865 6.246 -4.040 1.00 71.14 H new ATOM 0 HB1 ALA A 11 -3.923 5.746 -5.322 1.00 53.01 H new ATOM 0 HB2 ALA A 11 -3.904 4.899 -3.756 1.00 53.01 H new ATOM 0 HB3 ALA A 11 -4.906 6.354 -3.969 1.00 53.01 H new ATOM 165 N LEU A 12 -1.825 8.366 -5.326 1.00 44.00 N ATOM 166 CA LEU A 12 -1.716 9.651 -6.030 1.00 45.25 C ATOM 167 C LEU A 12 -2.771 9.788 -7.142 1.00 35.22 C ATOM 168 O LEU A 12 -3.602 10.700 -7.123 1.00 53.53 O ATOM 169 CB LEU A 12 -0.305 9.798 -6.616 1.00 4.12 C ATOM 170 CG LEU A 12 0.840 9.701 -5.591 1.00 23.43 C ATOM 171 CD1 LEU A 12 2.199 9.775 -6.285 1.00 4.22 C ATOM 172 CD2 LEU A 12 0.710 10.794 -4.528 1.00 61.51 C ATOM 0 H LEU A 12 -1.068 7.713 -5.526 1.00 44.00 H new ATOM 0 HA LEU A 12 -1.900 10.447 -5.309 1.00 45.25 H new ATOM 0 HB2 LEU A 12 -0.161 9.027 -7.373 1.00 4.12 H new ATOM 0 HB3 LEU A 12 -0.237 10.760 -7.124 1.00 4.12 H new ATOM 0 HG LEU A 12 0.769 8.734 -5.093 1.00 23.43 H new ATOM 0 HD11 LEU A 12 2.992 9.704 -5.541 1.00 4.22 H new ATOM 0 HD12 LEU A 12 2.291 8.951 -6.993 1.00 4.22 H new ATOM 0 HD13 LEU A 12 2.285 10.722 -6.817 1.00 4.22 H new ATOM 0 HD21 LEU A 12 1.529 10.707 -3.814 1.00 61.51 H new ATOM 0 HD22 LEU A 12 0.748 11.773 -5.006 1.00 61.51 H new ATOM 0 HD23 LEU A 12 -0.240 10.682 -4.005 1.00 61.51 H new ATOM 184 N TYR A 13 -2.728 8.874 -8.109 1.00 21.01 N ATOM 185 CA TYR A 13 -3.659 8.882 -9.248 1.00 15.43 C ATOM 186 C TYR A 13 -4.350 7.515 -9.405 1.00 52.43 C ATOM 187 O TYR A 13 -3.867 6.513 -8.872 1.00 3.02 O ATOM 188 CB TYR A 13 -2.910 9.258 -10.537 1.00 63.42 C ATOM 189 CG TYR A 13 -2.441 10.702 -10.567 1.00 51.14 C ATOM 190 CD1 TYR A 13 -3.276 11.713 -11.033 1.00 53.34 C ATOM 191 CD2 TYR A 13 -1.171 11.053 -10.122 1.00 4.13 C ATOM 192 CE1 TYR A 13 -2.858 13.029 -11.059 1.00 12.24 C ATOM 193 CE2 TYR A 13 -0.746 12.369 -10.144 1.00 72.05 C ATOM 194 CZ TYR A 13 -1.594 13.352 -10.612 1.00 41.30 C ATOM 195 OH TYR A 13 -1.175 14.667 -10.637 1.00 13.33 O ATOM 0 H TYR A 13 -2.053 8.109 -8.131 1.00 21.01 H new ATOM 0 HA TYR A 13 -4.431 9.628 -9.057 1.00 15.43 H new ATOM 0 HB2 TYR A 13 -2.047 8.602 -10.651 1.00 63.42 H new ATOM 0 HB3 TYR A 13 -3.562 9.078 -11.392 1.00 63.42 H new ATOM 0 HD1 TYR A 13 -4.268 11.464 -11.380 1.00 53.34 H new ATOM 0 HD2 TYR A 13 -0.506 10.286 -9.753 1.00 4.13 H new ATOM 0 HE1 TYR A 13 -3.517 13.801 -11.427 1.00 12.24 H new ATOM 0 HE2 TYR A 13 0.244 12.626 -9.797 1.00 72.05 H new ATOM 0 HH TYR A 13 -0.261 14.726 -10.288 1.00 13.33 H new ATOM 205 N PRO A 14 -5.495 7.448 -10.131 1.00 31.04 N ATOM 206 CA PRO A 14 -6.234 6.185 -10.310 1.00 22.14 C ATOM 207 C PRO A 14 -5.430 5.123 -11.080 1.00 52.04 C ATOM 208 O PRO A 14 -4.805 5.410 -12.103 1.00 35.14 O ATOM 209 CB PRO A 14 -7.496 6.602 -11.087 1.00 30.33 C ATOM 210 CG PRO A 14 -7.138 7.895 -11.744 1.00 23.04 C ATOM 211 CD PRO A 14 -6.158 8.575 -10.821 1.00 2.23 C ATOM 0 HA PRO A 14 -6.455 5.712 -9.353 1.00 22.14 H new ATOM 0 HB2 PRO A 14 -7.772 5.848 -11.824 1.00 30.33 H new ATOM 0 HB3 PRO A 14 -8.349 6.722 -10.419 1.00 30.33 H new ATOM 0 HG2 PRO A 14 -6.695 7.724 -12.725 1.00 23.04 H new ATOM 0 HG3 PRO A 14 -8.023 8.513 -11.897 1.00 23.04 H new ATOM 0 HD2 PRO A 14 -5.443 9.184 -11.373 1.00 2.23 H new ATOM 0 HD3 PRO A 14 -6.663 9.236 -10.116 1.00 2.23 H new ATOM 219 N PHE A 15 -5.460 3.892 -10.575 1.00 60.21 N ATOM 220 CA PHE A 15 -4.694 2.784 -11.159 1.00 64.43 C ATOM 221 C PHE A 15 -5.553 1.518 -11.298 1.00 4.41 C ATOM 222 O PHE A 15 -6.226 1.106 -10.354 1.00 72.40 O ATOM 223 CB PHE A 15 -3.458 2.491 -10.289 1.00 4.13 C ATOM 224 CG PHE A 15 -2.704 1.238 -10.678 1.00 34.21 C ATOM 225 CD1 PHE A 15 -1.826 1.241 -11.751 1.00 32.32 C ATOM 226 CD2 PHE A 15 -2.873 0.055 -9.964 1.00 31.34 C ATOM 227 CE1 PHE A 15 -1.133 0.099 -12.105 1.00 42.42 C ATOM 228 CE2 PHE A 15 -2.183 -1.089 -10.315 1.00 25.22 C ATOM 229 CZ PHE A 15 -1.314 -1.068 -11.387 1.00 74.31 C ATOM 0 H PHE A 15 -6.010 3.631 -9.756 1.00 60.21 H new ATOM 0 HA PHE A 15 -4.375 3.081 -12.158 1.00 64.43 H new ATOM 0 HB2 PHE A 15 -2.779 3.342 -10.346 1.00 4.13 H new ATOM 0 HB3 PHE A 15 -3.773 2.403 -9.249 1.00 4.13 H new ATOM 0 HD1 PHE A 15 -1.682 2.149 -12.318 1.00 32.32 H new ATOM 0 HD2 PHE A 15 -3.552 0.031 -9.125 1.00 31.34 H new ATOM 0 HE1 PHE A 15 -0.451 0.118 -12.942 1.00 42.42 H new ATOM 0 HE2 PHE A 15 -2.323 -1.999 -9.751 1.00 25.22 H new ATOM 0 HZ PHE A 15 -0.776 -1.962 -11.664 1.00 74.31 H new ATOM 367 N LEU A 23 -4.335 -3.976 -6.843 1.00 10.05 N ATOM 368 CA LEU A 23 -5.311 -3.171 -6.100 1.00 40.51 C ATOM 369 C LEU A 23 -5.658 -1.876 -6.855 1.00 35.12 C ATOM 370 O LEU A 23 -4.787 -1.040 -7.110 1.00 65.31 O ATOM 371 CB LEU A 23 -4.761 -2.845 -4.702 1.00 32.33 C ATOM 372 CG LEU A 23 -5.716 -2.076 -3.771 1.00 65.43 C ATOM 373 CD1 LEU A 23 -7.020 -2.848 -3.570 1.00 61.53 C ATOM 374 CD2 LEU A 23 -5.046 -1.794 -2.427 1.00 3.34 C ATOM 0 HA LEU A 23 -6.228 -3.752 -5.999 1.00 40.51 H new ATOM 0 HB2 LEU A 23 -4.482 -3.779 -4.215 1.00 32.33 H new ATOM 0 HB3 LEU A 23 -3.848 -2.261 -4.818 1.00 32.33 H new ATOM 0 HG LEU A 23 -5.955 -1.123 -4.243 1.00 65.43 H new ATOM 0 HD11 LEU A 23 -7.678 -2.285 -2.909 1.00 61.53 H new ATOM 0 HD12 LEU A 23 -7.510 -2.992 -4.533 1.00 61.53 H new ATOM 0 HD13 LEU A 23 -6.803 -3.819 -3.125 1.00 61.53 H new ATOM 0 HD21 LEU A 23 -5.737 -1.250 -1.783 1.00 3.34 H new ATOM 0 HD22 LEU A 23 -4.773 -2.736 -1.952 1.00 3.34 H new ATOM 0 HD23 LEU A 23 -4.150 -1.195 -2.586 1.00 3.34 H new ATOM 386 N GLU A 24 -6.934 -1.719 -7.212 1.00 51.40 N ATOM 387 CA GLU A 24 -7.413 -0.497 -7.871 1.00 32.44 C ATOM 388 C GLU A 24 -7.240 0.734 -6.968 1.00 53.34 C ATOM 389 O GLU A 24 -7.794 0.800 -5.869 1.00 14.31 O ATOM 390 CB GLU A 24 -8.888 -0.642 -8.284 1.00 42.52 C ATOM 391 CG GLU A 24 -9.117 -1.485 -9.541 1.00 1.33 C ATOM 392 CD GLU A 24 -8.607 -2.915 -9.427 1.00 25.21 C ATOM 393 OE1 GLU A 24 -8.924 -3.587 -8.418 1.00 33.13 O ATOM 394 OE2 GLU A 24 -7.902 -3.372 -10.352 1.00 73.01 O ATOM 0 H GLU A 24 -7.657 -2.422 -7.057 1.00 51.40 H new ATOM 0 HA GLU A 24 -6.807 -0.351 -8.766 1.00 32.44 H new ATOM 0 HB2 GLU A 24 -9.441 -1.088 -7.457 1.00 42.52 H new ATOM 0 HB3 GLU A 24 -9.305 0.352 -8.448 1.00 42.52 H new ATOM 0 HG2 GLU A 24 -10.184 -1.507 -9.762 1.00 1.33 H new ATOM 0 HG3 GLU A 24 -8.626 -1.001 -10.385 1.00 1.33 H new ATOM 401 N LEU A 25 -6.466 1.707 -7.443 1.00 73.12 N ATOM 402 CA LEU A 25 -6.188 2.926 -6.674 1.00 12.13 C ATOM 403 C LEU A 25 -7.062 4.102 -7.141 1.00 61.01 C ATOM 404 O LEU A 25 -7.345 4.244 -8.330 1.00 14.24 O ATOM 405 CB LEU A 25 -4.703 3.301 -6.799 1.00 51.32 C ATOM 406 CG LEU A 25 -3.707 2.208 -6.370 1.00 63.50 C ATOM 407 CD1 LEU A 25 -2.269 2.700 -6.518 1.00 55.33 C ATOM 408 CD2 LEU A 25 -3.981 1.757 -4.936 1.00 63.31 C ATOM 0 H LEU A 25 -6.017 1.678 -8.359 1.00 73.12 H new ATOM 0 HA LEU A 25 -6.428 2.721 -5.631 1.00 12.13 H new ATOM 0 HB2 LEU A 25 -4.499 3.568 -7.836 1.00 51.32 H new ATOM 0 HB3 LEU A 25 -4.519 4.192 -6.199 1.00 51.32 H new ATOM 0 HG LEU A 25 -3.842 1.348 -7.027 1.00 63.50 H new ATOM 0 HD11 LEU A 25 -1.581 1.912 -6.210 1.00 55.33 H new ATOM 0 HD12 LEU A 25 -2.079 2.960 -7.559 1.00 55.33 H new ATOM 0 HD13 LEU A 25 -2.119 3.579 -5.891 1.00 55.33 H new ATOM 0 HD21 LEU A 25 -3.265 0.985 -4.654 1.00 63.31 H new ATOM 0 HD22 LEU A 25 -3.881 2.608 -4.262 1.00 63.31 H new ATOM 0 HD23 LEU A 25 -4.993 1.357 -4.867 1.00 63.31 H new ATOM 420 N LEU A 26 -7.494 4.936 -6.191 1.00 23.41 N ATOM 421 CA LEU A 26 -8.283 6.141 -6.495 1.00 65.11 C ATOM 422 C LEU A 26 -7.460 7.415 -6.215 1.00 34.52 C ATOM 423 O LEU A 26 -6.622 7.433 -5.311 1.00 23.45 O ATOM 424 CB LEU A 26 -9.586 6.155 -5.669 1.00 3.00 C ATOM 425 CG LEU A 26 -10.743 5.291 -6.218 1.00 2.32 C ATOM 426 CD1 LEU A 26 -11.224 5.825 -7.563 1.00 1.32 C ATOM 427 CD2 LEU A 26 -10.332 3.826 -6.341 1.00 30.34 C ATOM 0 H LEU A 26 -7.311 4.800 -5.197 1.00 23.41 H new ATOM 0 HA LEU A 26 -8.541 6.122 -7.554 1.00 65.11 H new ATOM 0 HB2 LEU A 26 -9.356 5.819 -4.658 1.00 3.00 H new ATOM 0 HB3 LEU A 26 -9.933 7.185 -5.591 1.00 3.00 H new ATOM 0 HG LEU A 26 -11.567 5.350 -5.506 1.00 2.32 H new ATOM 0 HD11 LEU A 26 -12.039 5.202 -7.931 1.00 1.32 H new ATOM 0 HD12 LEU A 26 -11.576 6.849 -7.443 1.00 1.32 H new ATOM 0 HD13 LEU A 26 -10.401 5.806 -8.277 1.00 1.32 H new ATOM 0 HD21 LEU A 26 -11.168 3.245 -6.730 1.00 30.34 H new ATOM 0 HD22 LEU A 26 -9.484 3.742 -7.021 1.00 30.34 H new ATOM 0 HD23 LEU A 26 -10.050 3.444 -5.360 1.00 30.34 H new ATOM 439 N PRO A 27 -7.687 8.501 -6.985 1.00 71.45 N ATOM 440 CA PRO A 27 -6.895 9.738 -6.863 1.00 4.41 C ATOM 441 C PRO A 27 -7.045 10.425 -5.493 1.00 73.11 C ATOM 442 O PRO A 27 -8.074 11.039 -5.194 1.00 45.32 O ATOM 443 CB PRO A 27 -7.444 10.634 -7.985 1.00 22.33 C ATOM 444 CG PRO A 27 -8.809 10.101 -8.266 1.00 0.44 C ATOM 445 CD PRO A 27 -8.731 8.617 -8.019 1.00 53.14 C ATOM 0 HA PRO A 27 -5.828 9.534 -6.946 1.00 4.41 H new ATOM 0 HB2 PRO A 27 -7.483 11.678 -7.674 1.00 22.33 H new ATOM 0 HB3 PRO A 27 -6.812 10.589 -8.872 1.00 22.33 H new ATOM 0 HG2 PRO A 27 -9.551 10.566 -7.618 1.00 0.44 H new ATOM 0 HG3 PRO A 27 -9.107 10.311 -9.293 1.00 0.44 H new ATOM 0 HD2 PRO A 27 -9.684 8.216 -7.675 1.00 53.14 H new ATOM 0 HD3 PRO A 27 -8.463 8.072 -8.924 1.00 53.14 H new ATOM 453 N GLY A 28 -6.006 10.319 -4.670 1.00 60.20 N ATOM 454 CA GLY A 28 -6.006 10.953 -3.355 1.00 13.20 C ATOM 455 C GLY A 28 -6.739 10.143 -2.284 1.00 25.33 C ATOM 456 O GLY A 28 -7.363 10.717 -1.388 1.00 14.23 O ATOM 0 H GLY A 28 -5.155 9.801 -4.889 1.00 60.20 H new ATOM 0 HA2 GLY A 28 -4.975 11.111 -3.037 1.00 13.20 H new ATOM 0 HA3 GLY A 28 -6.469 11.936 -3.435 1.00 13.20 H new ATOM 460 N ASP A 29 -6.663 8.814 -2.367 1.00 41.25 N ATOM 461 CA ASP A 29 -7.334 7.938 -1.397 1.00 52.30 C ATOM 462 C ASP A 29 -6.336 7.300 -0.407 1.00 64.02 C ATOM 463 O ASP A 29 -5.139 7.208 -0.687 1.00 52.03 O ATOM 464 CB ASP A 29 -8.118 6.853 -2.140 1.00 1.24 C ATOM 465 CG ASP A 29 -8.996 6.048 -1.203 1.00 32.13 C ATOM 466 OD1 ASP A 29 -9.958 6.624 -0.651 1.00 43.33 O ATOM 467 OD2 ASP A 29 -8.731 4.847 -1.009 1.00 21.41 O ATOM 0 H ASP A 29 -6.146 8.319 -3.093 1.00 41.25 H new ATOM 0 HA ASP A 29 -8.021 8.549 -0.811 1.00 52.30 H new ATOM 0 HB2 ASP A 29 -8.736 7.315 -2.910 1.00 1.24 H new ATOM 0 HB3 ASP A 29 -7.422 6.186 -2.648 1.00 1.24 H new ATOM 472 N VAL A 30 -6.842 6.856 0.748 1.00 53.22 N ATOM 473 CA VAL A 30 -5.997 6.298 1.816 1.00 61.42 C ATOM 474 C VAL A 30 -6.026 4.756 1.843 1.00 11.03 C ATOM 475 O VAL A 30 -7.089 4.133 1.806 1.00 13.14 O ATOM 476 CB VAL A 30 -6.434 6.831 3.206 1.00 5.42 C ATOM 477 CG1 VAL A 30 -5.527 6.288 4.313 1.00 51.44 C ATOM 478 CG2 VAL A 30 -6.451 8.359 3.216 1.00 4.31 C ATOM 0 H VAL A 30 -7.837 6.871 0.971 1.00 53.22 H new ATOM 0 HA VAL A 30 -4.979 6.620 1.597 1.00 61.42 H new ATOM 0 HB VAL A 30 -7.446 6.477 3.401 1.00 5.42 H new ATOM 0 HG11 VAL A 30 -5.856 6.677 5.277 1.00 51.44 H new ATOM 0 HG12 VAL A 30 -5.579 5.199 4.325 1.00 51.44 H new ATOM 0 HG13 VAL A 30 -4.499 6.600 4.127 1.00 51.44 H new ATOM 0 HG21 VAL A 30 -6.760 8.713 4.200 1.00 4.31 H new ATOM 0 HG22 VAL A 30 -5.453 8.735 2.992 1.00 4.31 H new ATOM 0 HG23 VAL A 30 -7.152 8.720 2.464 1.00 4.31 H new ATOM 488 N LEU A 31 -4.839 4.154 1.914 1.00 32.35 N ATOM 489 CA LEU A 31 -4.691 2.697 2.042 1.00 21.53 C ATOM 490 C LEU A 31 -4.140 2.326 3.430 1.00 30.12 C ATOM 491 O LEU A 31 -3.108 2.852 3.856 1.00 54.21 O ATOM 492 CB LEU A 31 -3.744 2.141 0.958 1.00 31.02 C ATOM 493 CG LEU A 31 -4.237 2.235 -0.498 1.00 54.25 C ATOM 494 CD1 LEU A 31 -4.297 3.683 -0.978 1.00 23.02 C ATOM 495 CD2 LEU A 31 -3.342 1.402 -1.414 1.00 44.22 C ATOM 0 H LEU A 31 -3.952 4.658 1.885 1.00 32.35 H new ATOM 0 HA LEU A 31 -5.679 2.255 1.914 1.00 21.53 H new ATOM 0 HB2 LEU A 31 -2.794 2.670 1.031 1.00 31.02 H new ATOM 0 HB3 LEU A 31 -3.544 1.093 1.184 1.00 31.02 H new ATOM 0 HG LEU A 31 -5.250 1.835 -0.535 1.00 54.25 H new ATOM 0 HD11 LEU A 31 -4.649 3.710 -2.009 1.00 23.02 H new ATOM 0 HD12 LEU A 31 -4.982 4.248 -0.346 1.00 23.02 H new ATOM 0 HD13 LEU A 31 -3.303 4.126 -0.922 1.00 23.02 H new ATOM 0 HD21 LEU A 31 -3.701 1.477 -2.440 1.00 44.22 H new ATOM 0 HD22 LEU A 31 -2.319 1.774 -1.360 1.00 44.22 H new ATOM 0 HD23 LEU A 31 -3.366 0.360 -1.096 1.00 44.22 H new ATOM 507 N VAL A 32 -4.818 1.417 4.128 1.00 44.30 N ATOM 508 CA VAL A 32 -4.376 0.981 5.462 1.00 41.34 C ATOM 509 C VAL A 32 -3.548 -0.315 5.387 1.00 34.53 C ATOM 510 O VAL A 32 -4.011 -1.337 4.870 1.00 43.42 O ATOM 511 CB VAL A 32 -5.581 0.767 6.416 1.00 63.44 C ATOM 512 CG1 VAL A 32 -5.109 0.315 7.801 1.00 42.43 C ATOM 513 CG2 VAL A 32 -6.418 2.042 6.521 1.00 52.22 C ATOM 0 H VAL A 32 -5.672 0.967 3.799 1.00 44.30 H new ATOM 0 HA VAL A 32 -3.747 1.778 5.859 1.00 41.34 H new ATOM 0 HB VAL A 32 -6.207 -0.022 5.999 1.00 63.44 H new ATOM 0 HG11 VAL A 32 -5.972 0.172 8.451 1.00 42.43 H new ATOM 0 HG12 VAL A 32 -4.563 -0.624 7.711 1.00 42.43 H new ATOM 0 HG13 VAL A 32 -4.455 1.075 8.229 1.00 42.43 H new ATOM 0 HG21 VAL A 32 -7.258 1.871 7.194 1.00 52.22 H new ATOM 0 HG22 VAL A 32 -5.800 2.852 6.909 1.00 52.22 H new ATOM 0 HG23 VAL A 32 -6.793 2.313 5.534 1.00 52.22 H new ATOM 523 N VAL A 33 -2.317 -0.260 5.899 1.00 64.55 N ATOM 524 CA VAL A 33 -1.422 -1.427 5.915 1.00 75.12 C ATOM 525 C VAL A 33 -0.792 -1.628 7.305 1.00 32.54 C ATOM 526 O VAL A 33 -0.043 -0.778 7.789 1.00 73.13 O ATOM 527 CB VAL A 33 -0.284 -1.294 4.867 1.00 55.02 C ATOM 528 CG1 VAL A 33 0.618 -2.532 4.872 1.00 52.22 C ATOM 529 CG2 VAL A 33 -0.853 -1.047 3.471 1.00 65.24 C ATOM 0 H VAL A 33 -1.913 0.581 6.310 1.00 64.55 H new ATOM 0 HA VAL A 33 -2.038 -2.291 5.664 1.00 75.12 H new ATOM 0 HB VAL A 33 0.324 -0.433 5.144 1.00 55.02 H new ATOM 0 HG11 VAL A 33 1.406 -2.411 4.129 1.00 52.22 H new ATOM 0 HG12 VAL A 33 1.065 -2.652 5.859 1.00 52.22 H new ATOM 0 HG13 VAL A 33 0.025 -3.415 4.632 1.00 52.22 H new ATOM 0 HG21 VAL A 33 -0.036 -0.958 2.756 1.00 65.24 H new ATOM 0 HG22 VAL A 33 -1.494 -1.881 3.187 1.00 65.24 H new ATOM 0 HG23 VAL A 33 -1.436 -0.126 3.473 1.00 65.24 H new ATOM 539 N SER A 34 -1.105 -2.754 7.942 1.00 25.21 N ATOM 540 CA SER A 34 -0.524 -3.093 9.251 1.00 5.42 C ATOM 541 C SER A 34 0.787 -3.875 9.090 1.00 0.10 C ATOM 542 O SER A 34 1.020 -4.522 8.065 1.00 72.41 O ATOM 543 CB SER A 34 -1.515 -3.917 10.089 1.00 25.45 C ATOM 544 OG SER A 34 -2.717 -3.199 10.327 1.00 72.15 O ATOM 0 H SER A 34 -1.756 -3.450 7.579 1.00 25.21 H new ATOM 0 HA SER A 34 -0.311 -2.157 9.767 1.00 5.42 H new ATOM 0 HB2 SER A 34 -1.743 -4.849 9.572 1.00 25.45 H new ATOM 0 HB3 SER A 34 -1.055 -4.184 11.040 1.00 25.45 H new ATOM 0 HG SER A 34 -3.327 -3.750 10.861 1.00 72.15 H new ATOM 550 N ARG A 35 1.641 -3.829 10.112 1.00 52.23 N ATOM 551 CA ARG A 35 2.928 -4.528 10.068 1.00 64.45 C ATOM 552 C ARG A 35 2.752 -6.048 10.168 1.00 53.31 C ATOM 553 O ARG A 35 3.676 -6.802 9.877 1.00 15.15 O ATOM 554 CB ARG A 35 3.880 -4.027 11.166 1.00 62.34 C ATOM 555 CG ARG A 35 4.267 -2.559 11.010 1.00 73.25 C ATOM 556 CD ARG A 35 5.511 -2.197 11.819 1.00 5.43 C ATOM 557 NE ARG A 35 5.326 -2.378 13.257 1.00 53.33 N ATOM 558 CZ ARG A 35 6.009 -1.732 14.167 1.00 34.22 C ATOM 559 NH1 ARG A 35 6.906 -0.859 13.819 1.00 13.33 N ATOM 560 NH2 ARG A 35 5.790 -1.955 15.425 1.00 64.23 N ATOM 0 H ARG A 35 1.468 -3.318 10.978 1.00 52.23 H new ATOM 0 HA ARG A 35 3.375 -4.303 9.100 1.00 64.45 H new ATOM 0 HB2 ARG A 35 3.408 -4.169 12.138 1.00 62.34 H new ATOM 0 HB3 ARG A 35 4.784 -4.636 11.158 1.00 62.34 H new ATOM 0 HG2 ARG A 35 4.446 -2.343 9.957 1.00 73.25 H new ATOM 0 HG3 ARG A 35 3.435 -1.931 11.327 1.00 73.25 H new ATOM 0 HD2 ARG A 35 6.347 -2.812 11.485 1.00 5.43 H new ATOM 0 HD3 ARG A 35 5.779 -1.159 11.620 1.00 5.43 H new ATOM 0 HE ARG A 35 4.623 -3.047 13.570 1.00 53.33 H new ATOM 0 HH11 ARG A 35 7.081 -0.674 12.831 1.00 13.33 H new ATOM 0 HH12 ARG A 35 7.435 -0.359 14.533 1.00 13.33 H new ATOM 0 HH21 ARG A 35 5.084 -2.635 15.707 1.00 64.23 H new ATOM 0 HH22 ARG A 35 6.324 -1.450 16.133 1.00 64.23 H new ATOM 574 N ALA A 36 1.563 -6.494 10.574 1.00 73.42 N ATOM 575 CA ALA A 36 1.228 -7.925 10.579 1.00 53.41 C ATOM 576 C ALA A 36 1.567 -8.590 9.230 1.00 45.33 C ATOM 577 O ALA A 36 1.981 -9.751 9.180 1.00 13.43 O ATOM 578 CB ALA A 36 -0.248 -8.117 10.910 1.00 31.04 C ATOM 0 H ALA A 36 0.813 -5.887 10.905 1.00 73.42 H new ATOM 0 HA ALA A 36 1.832 -8.408 11.347 1.00 53.41 H new ATOM 0 HB1 ALA A 36 -0.485 -9.181 10.911 1.00 31.04 H new ATOM 0 HB2 ALA A 36 -0.458 -7.698 11.894 1.00 31.04 H new ATOM 0 HB3 ALA A 36 -0.858 -7.610 10.162 1.00 31.04 H new ATOM 584 N ALA A 37 1.379 -7.847 8.138 1.00 10.43 N ATOM 585 CA ALA A 37 1.775 -8.308 6.803 1.00 55.23 C ATOM 586 C ALA A 37 3.252 -7.988 6.509 1.00 14.51 C ATOM 587 O ALA A 37 3.990 -8.824 5.985 1.00 43.31 O ATOM 588 CB ALA A 37 0.878 -7.678 5.741 1.00 64.45 C ATOM 0 H ALA A 37 0.954 -6.920 8.151 1.00 10.43 H new ATOM 0 HA ALA A 37 1.657 -9.391 6.776 1.00 55.23 H new ATOM 0 HB1 ALA A 37 1.182 -8.028 4.754 1.00 64.45 H new ATOM 0 HB2 ALA A 37 -0.158 -7.963 5.924 1.00 64.45 H new ATOM 0 HB3 ALA A 37 0.969 -6.593 5.785 1.00 64.45 H new ATOM 594 N LEU A 38 3.678 -6.773 6.862 1.00 75.41 N ATOM 595 CA LEU A 38 5.053 -6.314 6.596 1.00 22.44 C ATOM 596 C LEU A 38 6.109 -7.250 7.217 1.00 24.23 C ATOM 597 O LEU A 38 7.156 -7.508 6.615 1.00 20.43 O ATOM 598 CB LEU A 38 5.243 -4.882 7.121 1.00 51.51 C ATOM 599 CG LEU A 38 4.315 -3.823 6.495 1.00 33.12 C ATOM 600 CD1 LEU A 38 4.570 -2.450 7.111 1.00 60.31 C ATOM 601 CD2 LEU A 38 4.495 -3.776 4.978 1.00 34.02 C ATOM 0 H LEU A 38 3.093 -6.084 7.334 1.00 75.41 H new ATOM 0 HA LEU A 38 5.198 -6.329 5.516 1.00 22.44 H new ATOM 0 HB2 LEU A 38 5.088 -4.885 8.200 1.00 51.51 H new ATOM 0 HB3 LEU A 38 6.277 -4.583 6.948 1.00 51.51 H new ATOM 0 HG LEU A 38 3.284 -4.106 6.707 1.00 33.12 H new ATOM 0 HD11 LEU A 38 3.904 -1.717 6.655 1.00 60.31 H new ATOM 0 HD12 LEU A 38 4.383 -2.492 8.184 1.00 60.31 H new ATOM 0 HD13 LEU A 38 5.605 -2.159 6.935 1.00 60.31 H new ATOM 0 HD21 LEU A 38 3.831 -3.022 4.556 1.00 34.02 H new ATOM 0 HD22 LEU A 38 5.528 -3.522 4.742 1.00 34.02 H new ATOM 0 HD23 LEU A 38 4.254 -4.750 4.553 1.00 34.02 H new ATOM 613 N GLN A 39 5.828 -7.758 8.414 1.00 0.33 N ATOM 614 CA GLN A 39 6.732 -8.692 9.094 1.00 23.51 C ATOM 615 C GLN A 39 6.843 -10.013 8.319 1.00 2.20 C ATOM 616 O GLN A 39 7.917 -10.606 8.232 1.00 73.34 O ATOM 617 CB GLN A 39 6.250 -8.954 10.528 1.00 62.40 C ATOM 618 CG GLN A 39 6.198 -7.702 11.402 1.00 63.54 C ATOM 619 CD GLN A 39 7.560 -7.049 11.583 1.00 43.40 C ATOM 620 OE1 GLN A 39 7.964 -6.199 10.798 1.00 42.20 O ATOM 621 NE2 GLN A 39 8.273 -7.437 12.619 1.00 32.21 N ATOM 0 H GLN A 39 4.980 -7.540 8.937 1.00 0.33 H new ATOM 0 HA GLN A 39 7.722 -8.237 9.134 1.00 23.51 H new ATOM 0 HB2 GLN A 39 5.256 -9.401 10.491 1.00 62.40 H new ATOM 0 HB3 GLN A 39 6.911 -9.684 10.995 1.00 62.40 H new ATOM 0 HG2 GLN A 39 5.512 -6.982 10.956 1.00 63.54 H new ATOM 0 HG3 GLN A 39 5.794 -7.964 12.380 1.00 63.54 H new ATOM 0 HE21 GLN A 39 7.907 -8.147 13.253 1.00 32.21 H new ATOM 0 HE22 GLN A 39 9.192 -7.028 12.788 1.00 32.21 H new ATOM 630 N ALA A 40 5.725 -10.457 7.748 1.00 62.41 N ATOM 631 CA ALA A 40 5.708 -11.658 6.904 1.00 12.10 C ATOM 632 C ALA A 40 6.496 -11.429 5.605 1.00 2.32 C ATOM 633 O ALA A 40 7.132 -12.344 5.078 1.00 62.12 O ATOM 634 CB ALA A 40 4.273 -12.064 6.593 1.00 11.30 C ATOM 0 H ALA A 40 4.817 -10.005 7.852 1.00 62.41 H new ATOM 0 HA ALA A 40 6.190 -12.467 7.452 1.00 12.10 H new ATOM 0 HB1 ALA A 40 4.275 -12.956 5.966 1.00 11.30 H new ATOM 0 HB2 ALA A 40 3.745 -12.275 7.523 1.00 11.30 H new ATOM 0 HB3 ALA A 40 3.771 -11.252 6.067 1.00 11.30 H new ATOM 640 N LEU A 41 6.446 -10.197 5.098 1.00 71.04 N ATOM 641 CA LEU A 41 7.218 -9.810 3.910 1.00 10.51 C ATOM 642 C LEU A 41 8.724 -9.752 4.222 1.00 34.23 C ATOM 643 O LEU A 41 9.563 -9.974 3.347 1.00 62.22 O ATOM 644 CB LEU A 41 6.749 -8.440 3.397 1.00 75.10 C ATOM 645 CG LEU A 41 5.254 -8.337 3.048 1.00 43.13 C ATOM 646 CD1 LEU A 41 4.885 -6.903 2.679 1.00 51.44 C ATOM 647 CD2 LEU A 41 4.893 -9.293 1.914 1.00 50.42 C ATOM 0 H LEU A 41 5.878 -9.446 5.490 1.00 71.04 H new ATOM 0 HA LEU A 41 7.051 -10.565 3.142 1.00 10.51 H new ATOM 0 HB2 LEU A 41 6.980 -7.690 4.154 1.00 75.10 H new ATOM 0 HB3 LEU A 41 7.329 -8.186 2.510 1.00 75.10 H new ATOM 0 HG LEU A 41 4.680 -8.624 3.929 1.00 43.13 H new ATOM 0 HD11 LEU A 41 3.824 -6.852 2.436 1.00 51.44 H new ATOM 0 HD12 LEU A 41 5.096 -6.245 3.522 1.00 51.44 H new ATOM 0 HD13 LEU A 41 5.471 -6.587 1.816 1.00 51.44 H new ATOM 0 HD21 LEU A 41 3.831 -9.202 1.685 1.00 50.42 H new ATOM 0 HD22 LEU A 41 5.478 -9.044 1.028 1.00 50.42 H new ATOM 0 HD23 LEU A 41 5.112 -10.317 2.217 1.00 50.42 H new ATOM 659 N GLY A 42 9.055 -9.462 5.481 1.00 44.42 N ATOM 660 CA GLY A 42 10.451 -9.328 5.888 1.00 43.11 C ATOM 661 C GLY A 42 10.980 -7.910 5.708 1.00 51.11 C ATOM 662 O GLY A 42 12.107 -7.711 5.248 1.00 75.00 O ATOM 0 H GLY A 42 8.379 -9.317 6.231 1.00 44.42 H new ATOM 0 HA2 GLY A 42 10.550 -9.619 6.934 1.00 43.11 H new ATOM 0 HA3 GLY A 42 11.063 -10.017 5.306 1.00 43.11 H new ATOM 666 N VAL A 43 10.162 -6.923 6.064 1.00 43.45 N ATOM 667 CA VAL A 43 10.539 -5.510 5.928 1.00 43.13 C ATOM 668 C VAL A 43 11.454 -5.051 7.076 1.00 33.14 C ATOM 669 O VAL A 43 11.153 -5.269 8.250 1.00 34.44 O ATOM 670 CB VAL A 43 9.282 -4.602 5.882 1.00 72.33 C ATOM 671 CG1 VAL A 43 9.668 -3.129 5.735 1.00 3.35 C ATOM 672 CG2 VAL A 43 8.347 -5.035 4.751 1.00 33.02 C ATOM 0 H VAL A 43 9.230 -7.072 6.451 1.00 43.45 H new ATOM 0 HA VAL A 43 11.086 -5.419 4.990 1.00 43.13 H new ATOM 0 HB VAL A 43 8.752 -4.713 6.828 1.00 72.33 H new ATOM 0 HG11 VAL A 43 8.766 -2.518 5.706 1.00 3.35 H new ATOM 0 HG12 VAL A 43 10.283 -2.828 6.583 1.00 3.35 H new ATOM 0 HG13 VAL A 43 10.230 -2.991 4.812 1.00 3.35 H new ATOM 0 HG21 VAL A 43 7.471 -4.386 4.735 1.00 33.02 H new ATOM 0 HG22 VAL A 43 8.871 -4.962 3.798 1.00 33.02 H new ATOM 0 HG23 VAL A 43 8.032 -6.066 4.914 1.00 33.02 H new ATOM 682 N ALA A 44 12.572 -4.418 6.726 1.00 12.14 N ATOM 683 CA ALA A 44 13.519 -3.908 7.721 1.00 60.41 C ATOM 684 C ALA A 44 13.018 -2.614 8.384 1.00 4.54 C ATOM 685 O ALA A 44 12.309 -1.815 7.763 1.00 34.43 O ATOM 686 CB ALA A 44 14.884 -3.685 7.078 1.00 51.23 C ATOM 0 H ALA A 44 12.847 -4.245 5.759 1.00 12.14 H new ATOM 0 HA ALA A 44 13.610 -4.658 8.506 1.00 60.41 H new ATOM 0 HB1 ALA A 44 15.581 -3.306 7.826 1.00 51.23 H new ATOM 0 HB2 ALA A 44 15.257 -4.629 6.680 1.00 51.23 H new ATOM 0 HB3 ALA A 44 14.791 -2.961 6.269 1.00 51.23 H new ATOM 692 N GLU A 45 13.391 -2.418 9.649 1.00 32.31 N ATOM 693 CA GLU A 45 13.013 -1.213 10.397 1.00 51.53 C ATOM 694 C GLU A 45 13.498 0.060 9.681 1.00 55.03 C ATOM 695 O GLU A 45 14.694 0.222 9.423 1.00 71.24 O ATOM 696 CB GLU A 45 13.597 -1.269 11.818 1.00 54.20 C ATOM 697 CG GLU A 45 13.221 -0.076 12.695 1.00 51.33 C ATOM 698 CD GLU A 45 11.745 -0.051 13.067 1.00 35.21 C ATOM 699 OE1 GLU A 45 10.936 0.503 12.296 1.00 14.11 O ATOM 700 OE2 GLU A 45 11.389 -0.589 14.141 1.00 4.44 O ATOM 0 H GLU A 45 13.957 -3.079 10.181 1.00 32.31 H new ATOM 0 HA GLU A 45 11.925 -1.178 10.455 1.00 51.53 H new ATOM 0 HB2 GLU A 45 13.257 -2.184 12.303 1.00 54.20 H new ATOM 0 HB3 GLU A 45 14.683 -1.329 11.751 1.00 54.20 H new ATOM 0 HG2 GLU A 45 13.819 -0.099 13.606 1.00 51.33 H new ATOM 0 HG3 GLU A 45 13.473 0.846 12.172 1.00 51.33 H new ATOM 707 N GLY A 46 12.566 0.955 9.359 1.00 32.41 N ATOM 708 CA GLY A 46 12.913 2.177 8.639 1.00 31.11 C ATOM 709 C GLY A 46 12.699 2.058 7.133 1.00 73.41 C ATOM 710 O GLY A 46 13.004 2.984 6.378 1.00 70.35 O ATOM 0 H GLY A 46 11.575 0.859 9.583 1.00 32.41 H new ATOM 0 HA2 GLY A 46 12.313 3.002 9.022 1.00 31.11 H new ATOM 0 HA3 GLY A 46 13.956 2.424 8.835 1.00 31.11 H new ATOM 714 N GLY A 47 12.184 0.910 6.694 1.00 15.30 N ATOM 715 CA GLY A 47 11.892 0.702 5.280 1.00 62.13 C ATOM 716 C GLY A 47 10.444 1.028 4.919 1.00 3.52 C ATOM 717 O GLY A 47 10.152 1.422 3.791 1.00 54.13 O ATOM 0 H GLY A 47 11.962 0.116 7.294 1.00 15.30 H new ATOM 0 HA2 GLY A 47 12.559 1.322 4.681 1.00 62.13 H new ATOM 0 HA3 GLY A 47 12.102 -0.335 5.019 1.00 62.13 H new ATOM 721 N GLU A 48 9.539 0.874 5.885 1.00 12.12 N ATOM 722 CA GLU A 48 8.105 1.135 5.679 1.00 60.31 C ATOM 723 C GLU A 48 7.838 2.591 5.247 1.00 15.41 C ATOM 724 O GLU A 48 6.934 2.860 4.458 1.00 13.34 O ATOM 725 CB GLU A 48 7.313 0.809 6.961 1.00 64.51 C ATOM 726 CG GLU A 48 7.575 1.750 8.144 1.00 34.51 C ATOM 727 CD GLU A 48 9.037 1.809 8.568 1.00 64.34 C ATOM 728 OE1 GLU A 48 9.566 0.786 9.050 1.00 40.24 O ATOM 729 OE2 GLU A 48 9.666 2.876 8.415 1.00 1.55 O ATOM 0 H GLU A 48 9.772 0.567 6.829 1.00 12.12 H new ATOM 0 HA GLU A 48 7.769 0.486 4.871 1.00 60.31 H new ATOM 0 HB2 GLU A 48 6.249 0.831 6.728 1.00 64.51 H new ATOM 0 HB3 GLU A 48 7.551 -0.210 7.267 1.00 64.51 H new ATOM 0 HG2 GLU A 48 7.242 2.754 7.879 1.00 34.51 H new ATOM 0 HG3 GLU A 48 6.972 1.428 8.993 1.00 34.51 H new ATOM 736 N ARG A 49 8.640 3.520 5.767 1.00 74.42 N ATOM 737 CA ARG A 49 8.519 4.944 5.422 1.00 3.21 C ATOM 738 C ARG A 49 8.804 5.207 3.932 1.00 60.35 C ATOM 739 O ARG A 49 8.549 6.302 3.419 1.00 44.02 O ATOM 740 CB ARG A 49 9.459 5.779 6.302 1.00 53.03 C ATOM 741 CG ARG A 49 10.923 5.352 6.228 1.00 72.01 C ATOM 742 CD ARG A 49 11.800 6.155 7.188 1.00 54.14 C ATOM 743 NE ARG A 49 13.191 5.705 7.162 1.00 33.12 N ATOM 744 CZ ARG A 49 14.193 6.379 7.664 1.00 14.13 C ATOM 745 NH1 ARG A 49 14.007 7.536 8.215 1.00 73.21 N ATOM 746 NH2 ARG A 49 15.390 5.896 7.608 1.00 72.02 N ATOM 0 H ARG A 49 9.385 3.314 6.432 1.00 74.42 H new ATOM 0 HA ARG A 49 7.487 5.241 5.609 1.00 3.21 H new ATOM 0 HB2 ARG A 49 9.381 6.826 6.007 1.00 53.03 H new ATOM 0 HB3 ARG A 49 9.124 5.714 7.337 1.00 53.03 H new ATOM 0 HG2 ARG A 49 11.004 4.291 6.464 1.00 72.01 H new ATOM 0 HG3 ARG A 49 11.288 5.481 5.209 1.00 72.01 H new ATOM 0 HD2 ARG A 49 11.755 7.211 6.923 1.00 54.14 H new ATOM 0 HD3 ARG A 49 11.408 6.063 8.201 1.00 54.14 H new ATOM 0 HE ARG A 49 13.393 4.806 6.724 1.00 33.12 H new ATOM 0 HH11 ARG A 49 13.069 7.934 8.262 1.00 73.21 H new ATOM 0 HH12 ARG A 49 14.799 8.050 8.602 1.00 73.21 H new ATOM 0 HH21 ARG A 49 15.554 4.989 7.172 1.00 72.02 H new ATOM 0 HH22 ARG A 49 16.171 6.422 8.000 1.00 72.02 H new ATOM 760 N CYS A 50 9.345 4.208 3.242 1.00 10.32 N ATOM 761 CA CYS A 50 9.573 4.289 1.796 1.00 52.51 C ATOM 762 C CYS A 50 9.110 2.998 1.105 1.00 75.43 C ATOM 763 O CYS A 50 9.904 2.084 0.878 1.00 63.43 O ATOM 764 CB CYS A 50 11.053 4.555 1.499 1.00 32.50 C ATOM 765 SG CYS A 50 11.653 6.142 2.130 1.00 44.52 S ATOM 0 H CYS A 50 9.637 3.325 3.661 1.00 10.32 H new ATOM 0 HA CYS A 50 8.988 5.120 1.402 1.00 52.51 H new ATOM 0 HB2 CYS A 50 11.650 3.753 1.933 1.00 32.50 H new ATOM 0 HB3 CYS A 50 11.209 4.521 0.421 1.00 32.50 H new ATOM 0 HG CYS A 50 10.703 6.733 2.791 1.00 44.52 H new ATOM 771 N PRO A 51 7.808 2.909 0.762 1.00 60.30 N ATOM 772 CA PRO A 51 7.204 1.686 0.189 1.00 51.45 C ATOM 773 C PRO A 51 7.916 1.195 -1.086 1.00 74.13 C ATOM 774 O PRO A 51 7.924 -0.002 -1.389 1.00 32.25 O ATOM 775 CB PRO A 51 5.754 2.109 -0.119 1.00 60.33 C ATOM 776 CG PRO A 51 5.769 3.604 -0.102 1.00 73.13 C ATOM 777 CD PRO A 51 6.815 3.987 0.907 1.00 4.23 C ATOM 0 HA PRO A 51 7.280 0.844 0.878 1.00 51.45 H new ATOM 0 HB2 PRO A 51 5.431 1.730 -1.088 1.00 60.33 H new ATOM 0 HB3 PRO A 51 5.062 1.714 0.625 1.00 60.33 H new ATOM 0 HG2 PRO A 51 6.009 4.005 -1.087 1.00 73.13 H new ATOM 0 HG3 PRO A 51 4.793 4.003 0.175 1.00 73.13 H new ATOM 0 HD2 PRO A 51 7.245 4.966 0.694 1.00 4.23 H new ATOM 0 HD3 PRO A 51 6.408 4.030 1.917 1.00 4.23 H new ATOM 785 N GLN A 52 8.523 2.126 -1.819 1.00 41.12 N ATOM 786 CA GLN A 52 9.275 1.795 -3.036 1.00 4.23 C ATOM 787 C GLN A 52 10.478 0.881 -2.733 1.00 5.54 C ATOM 788 O GLN A 52 10.960 0.167 -3.611 1.00 10.11 O ATOM 789 CB GLN A 52 9.753 3.082 -3.725 1.00 62.31 C ATOM 790 CG GLN A 52 10.727 3.913 -2.893 1.00 62.13 C ATOM 791 CD GLN A 52 11.114 5.213 -3.574 1.00 0.43 C ATOM 792 OE1 GLN A 52 10.474 6.243 -3.387 1.00 51.11 O ATOM 793 NE2 GLN A 52 12.153 5.175 -4.382 1.00 13.14 N ATOM 0 H GLN A 52 8.511 3.121 -1.593 1.00 41.12 H new ATOM 0 HA GLN A 52 8.605 1.252 -3.703 1.00 4.23 H new ATOM 0 HB2 GLN A 52 10.231 2.819 -4.669 1.00 62.31 H new ATOM 0 HB3 GLN A 52 8.885 3.695 -3.967 1.00 62.31 H new ATOM 0 HG2 GLN A 52 10.276 4.134 -1.926 1.00 62.13 H new ATOM 0 HG3 GLN A 52 11.625 3.327 -2.699 1.00 62.13 H new ATOM 0 HE21 GLN A 52 12.664 4.302 -4.515 1.00 13.14 H new ATOM 0 HE22 GLN A 52 12.447 6.018 -4.874 1.00 13.14 H new ATOM 802 N SER A 53 10.954 0.915 -1.486 1.00 30.22 N ATOM 803 CA SER A 53 12.077 0.066 -1.049 1.00 33.14 C ATOM 804 C SER A 53 11.679 -1.416 -1.020 1.00 12.53 C ATOM 805 O SER A 53 12.416 -2.283 -1.496 1.00 15.32 O ATOM 806 CB SER A 53 12.558 0.493 0.346 1.00 71.13 C ATOM 807 OG SER A 53 13.574 -0.368 0.837 1.00 2.32 O ATOM 0 H SER A 53 10.581 1.522 -0.755 1.00 30.22 H new ATOM 0 HA SER A 53 12.885 0.194 -1.769 1.00 33.14 H new ATOM 0 HB2 SER A 53 12.936 1.515 0.304 1.00 71.13 H new ATOM 0 HB3 SER A 53 11.715 0.493 1.037 1.00 71.13 H new ATOM 0 HG SER A 53 13.857 -0.066 1.725 1.00 2.32 H new ATOM 813 N VAL A 54 10.503 -1.697 -0.463 1.00 15.34 N ATOM 814 CA VAL A 54 10.002 -3.073 -0.356 1.00 50.44 C ATOM 815 C VAL A 54 9.476 -3.587 -1.707 1.00 61.23 C ATOM 816 O VAL A 54 9.786 -4.704 -2.123 1.00 53.02 O ATOM 817 CB VAL A 54 8.875 -3.177 0.704 1.00 25.33 C ATOM 818 CG1 VAL A 54 8.436 -4.630 0.897 1.00 43.00 C ATOM 819 CG2 VAL A 54 9.326 -2.561 2.030 1.00 61.44 C ATOM 0 H VAL A 54 9.875 -0.992 -0.077 1.00 15.34 H new ATOM 0 HA VAL A 54 10.843 -3.693 -0.046 1.00 50.44 H new ATOM 0 HB VAL A 54 8.014 -2.615 0.342 1.00 25.33 H new ATOM 0 HG11 VAL A 54 7.645 -4.675 1.646 1.00 43.00 H new ATOM 0 HG12 VAL A 54 8.064 -5.026 -0.048 1.00 43.00 H new ATOM 0 HG13 VAL A 54 9.286 -5.225 1.231 1.00 43.00 H new ATOM 0 HG21 VAL A 54 8.522 -2.643 2.761 1.00 61.44 H new ATOM 0 HG22 VAL A 54 10.206 -3.090 2.396 1.00 61.44 H new ATOM 0 HG23 VAL A 54 9.572 -1.510 1.878 1.00 61.44 H new ATOM 829 N GLY A 55 8.677 -2.765 -2.385 1.00 1.22 N ATOM 830 CA GLY A 55 8.149 -3.132 -3.697 1.00 54.24 C ATOM 831 C GLY A 55 6.648 -3.411 -3.687 1.00 42.12 C ATOM 832 O GLY A 55 5.842 -2.505 -3.888 1.00 22.42 O ATOM 0 H GLY A 55 8.383 -1.847 -2.051 1.00 1.22 H new ATOM 0 HA2 GLY A 55 8.357 -2.328 -4.403 1.00 54.24 H new ATOM 0 HA3 GLY A 55 8.674 -4.017 -4.058 1.00 54.24 H new ATOM 836 N TRP A 56 6.274 -4.669 -3.453 1.00 11.01 N ATOM 837 CA TRP A 56 4.861 -5.081 -3.463 1.00 43.54 C ATOM 838 C TRP A 56 4.370 -5.478 -2.063 1.00 41.24 C ATOM 839 O TRP A 56 4.830 -6.466 -1.486 1.00 75.42 O ATOM 840 CB TRP A 56 4.664 -6.251 -4.437 1.00 33.55 C ATOM 841 CG TRP A 56 4.816 -5.860 -5.875 1.00 43.44 C ATOM 842 CD1 TRP A 56 5.958 -5.451 -6.501 1.00 75.21 C ATOM 843 CD2 TRP A 56 3.785 -5.842 -6.865 1.00 34.34 C ATOM 844 NE1 TRP A 56 5.697 -5.173 -7.817 1.00 64.50 N ATOM 845 CE2 TRP A 56 4.370 -5.409 -8.069 1.00 34.11 C ATOM 846 CE3 TRP A 56 2.423 -6.149 -6.850 1.00 42.14 C ATOM 847 CZ2 TRP A 56 3.642 -5.277 -9.245 1.00 34.04 C ATOM 848 CZ3 TRP A 56 1.699 -6.019 -8.020 1.00 63.03 C ATOM 849 CH2 TRP A 56 2.311 -5.588 -9.204 1.00 33.40 C ATOM 0 H TRP A 56 6.928 -5.426 -3.253 1.00 11.01 H new ATOM 0 HA TRP A 56 4.270 -4.226 -3.791 1.00 43.54 H new ATOM 0 HB2 TRP A 56 5.385 -7.034 -4.203 1.00 33.55 H new ATOM 0 HB3 TRP A 56 3.672 -6.676 -4.287 1.00 33.55 H new ATOM 0 HD1 TRP A 56 6.925 -5.360 -6.029 1.00 75.21 H new ATOM 0 HE1 TRP A 56 6.380 -4.844 -8.499 1.00 64.50 H new ATOM 0 HE3 TRP A 56 1.944 -6.482 -5.941 1.00 42.14 H new ATOM 0 HZ2 TRP A 56 4.110 -4.941 -10.158 1.00 34.04 H new ATOM 0 HZ3 TRP A 56 0.645 -6.253 -8.021 1.00 63.03 H new ATOM 0 HH2 TRP A 56 1.719 -5.499 -10.103 1.00 33.40 H new ATOM 860 N MET A 57 3.428 -4.706 -1.524 1.00 41.14 N ATOM 861 CA MET A 57 2.859 -4.984 -0.201 1.00 3.51 C ATOM 862 C MET A 57 1.329 -5.114 -0.271 1.00 51.50 C ATOM 863 O MET A 57 0.667 -4.348 -0.972 1.00 15.13 O ATOM 864 CB MET A 57 3.235 -3.875 0.798 1.00 12.15 C ATOM 865 CG MET A 57 4.737 -3.700 1.017 1.00 13.11 C ATOM 866 SD MET A 57 5.605 -3.091 -0.444 1.00 41.10 S ATOM 867 CE MET A 57 4.774 -1.528 -0.708 1.00 61.11 C ATOM 0 H MET A 57 3.040 -3.881 -1.982 1.00 41.14 H new ATOM 0 HA MET A 57 3.276 -5.931 0.142 1.00 3.51 H new ATOM 0 HB2 MET A 57 2.820 -2.931 0.446 1.00 12.15 H new ATOM 0 HB3 MET A 57 2.764 -4.092 1.757 1.00 12.15 H new ATOM 0 HG2 MET A 57 4.899 -3.007 1.842 1.00 13.11 H new ATOM 0 HG3 MET A 57 5.168 -4.656 1.315 1.00 13.11 H new ATOM 0 HE1 MET A 57 5.513 -0.753 -0.913 1.00 61.11 H new ATOM 0 HE2 MET A 57 4.095 -1.616 -1.556 1.00 61.11 H new ATOM 0 HE3 MET A 57 4.207 -1.262 0.184 1.00 61.11 H new ATOM 877 N PRO A 58 0.748 -6.095 0.446 1.00 53.30 N ATOM 878 CA PRO A 58 -0.714 -6.250 0.532 1.00 62.13 C ATOM 879 C PRO A 58 -1.354 -5.245 1.507 1.00 1.44 C ATOM 880 O PRO A 58 -0.934 -5.125 2.660 1.00 64.11 O ATOM 881 CB PRO A 58 -0.877 -7.687 1.038 1.00 60.03 C ATOM 882 CG PRO A 58 0.349 -7.941 1.855 1.00 22.13 C ATOM 883 CD PRO A 58 1.459 -7.145 1.210 1.00 63.24 C ATOM 0 HA PRO A 58 -1.209 -6.061 -0.420 1.00 62.13 H new ATOM 0 HB2 PRO A 58 -1.782 -7.796 1.636 1.00 60.03 H new ATOM 0 HB3 PRO A 58 -0.955 -8.392 0.210 1.00 60.03 H new ATOM 0 HG2 PRO A 58 0.198 -7.631 2.889 1.00 22.13 H new ATOM 0 HG3 PRO A 58 0.592 -9.004 1.873 1.00 22.13 H new ATOM 0 HD2 PRO A 58 2.126 -6.713 1.956 1.00 63.24 H new ATOM 0 HD3 PRO A 58 2.071 -7.768 0.558 1.00 63.24 H new ATOM 891 N GLY A 59 -2.368 -4.523 1.037 1.00 24.31 N ATOM 892 CA GLY A 59 -3.042 -3.541 1.882 1.00 22.23 C ATOM 893 C GLY A 59 -4.533 -3.424 1.597 1.00 34.20 C ATOM 894 O GLY A 59 -5.029 -3.955 0.600 1.00 11.04 O ATOM 0 H GLY A 59 -2.737 -4.597 0.089 1.00 24.31 H new ATOM 0 HA2 GLY A 59 -2.899 -3.813 2.928 1.00 22.23 H new ATOM 0 HA3 GLY A 59 -2.574 -2.567 1.739 1.00 22.23 H new ATOM 898 N LEU A 60 -5.249 -2.726 2.473 1.00 71.53 N ATOM 899 CA LEU A 60 -6.693 -2.521 2.309 1.00 14.41 C ATOM 900 C LEU A 60 -7.000 -1.098 1.814 1.00 21.21 C ATOM 901 O LEU A 60 -6.599 -0.114 2.437 1.00 55.23 O ATOM 902 CB LEU A 60 -7.415 -2.776 3.641 1.00 22.01 C ATOM 903 CG LEU A 60 -8.946 -2.614 3.606 1.00 41.34 C ATOM 904 CD1 LEU A 60 -9.582 -3.629 2.658 1.00 13.13 C ATOM 905 CD2 LEU A 60 -9.533 -2.747 5.008 1.00 24.45 C ATOM 0 H LEU A 60 -4.856 -2.290 3.307 1.00 71.53 H new ATOM 0 HA LEU A 60 -7.051 -3.228 1.560 1.00 14.41 H new ATOM 0 HB2 LEU A 60 -7.182 -3.788 3.973 1.00 22.01 H new ATOM 0 HB3 LEU A 60 -7.012 -2.094 4.389 1.00 22.01 H new ATOM 0 HG LEU A 60 -9.171 -1.615 3.232 1.00 41.34 H new ATOM 0 HD11 LEU A 60 -10.663 -3.493 2.652 1.00 13.13 H new ATOM 0 HD12 LEU A 60 -9.192 -3.481 1.651 1.00 13.13 H new ATOM 0 HD13 LEU A 60 -9.345 -4.639 2.994 1.00 13.13 H new ATOM 0 HD21 LEU A 60 -10.616 -2.629 4.962 1.00 24.45 H new ATOM 0 HD22 LEU A 60 -9.292 -3.730 5.412 1.00 24.45 H new ATOM 0 HD23 LEU A 60 -9.112 -1.976 5.653 1.00 24.45 H new ATOM 917 N ASN A 61 -7.708 -0.996 0.692 1.00 25.30 N ATOM 918 CA ASN A 61 -8.126 0.304 0.161 1.00 62.54 C ATOM 919 C ASN A 61 -9.431 0.769 0.829 1.00 41.03 C ATOM 920 O ASN A 61 -10.469 0.117 0.704 1.00 72.52 O ATOM 921 CB ASN A 61 -8.293 0.223 -1.363 1.00 4.45 C ATOM 922 CG ASN A 61 -8.823 1.514 -1.951 1.00 12.03 C ATOM 923 OD1 ASN A 61 -10.016 1.658 -2.188 1.00 51.11 O ATOM 924 ND2 ASN A 61 -7.948 2.469 -2.171 1.00 41.42 N ATOM 0 H ASN A 61 -8.005 -1.795 0.132 1.00 25.30 H new ATOM 0 HA ASN A 61 -7.352 1.038 0.387 1.00 62.54 H new ATOM 0 HB2 ASN A 61 -7.332 -0.015 -1.820 1.00 4.45 H new ATOM 0 HB3 ASN A 61 -8.973 -0.592 -1.609 1.00 4.45 H new ATOM 0 HD21 ASN A 61 -8.255 3.364 -2.551 1.00 41.42 H new ATOM 0 HD22 ASN A 61 -6.962 2.315 -1.962 1.00 41.42 H new ATOM 931 N GLU A 62 -9.374 1.902 1.527 1.00 2.21 N ATOM 932 CA GLU A 62 -10.520 2.398 2.305 1.00 23.41 C ATOM 933 C GLU A 62 -11.709 2.807 1.418 1.00 53.34 C ATOM 934 O GLU A 62 -12.865 2.686 1.830 1.00 62.44 O ATOM 935 CB GLU A 62 -10.082 3.579 3.184 1.00 61.33 C ATOM 936 CG GLU A 62 -9.117 3.193 4.303 1.00 20.30 C ATOM 937 CD GLU A 62 -9.791 2.419 5.433 1.00 22.05 C ATOM 938 OE1 GLU A 62 -10.078 1.216 5.261 1.00 54.25 O ATOM 939 OE2 GLU A 62 -10.049 3.022 6.498 1.00 63.43 O ATOM 0 H GLU A 62 -8.548 2.498 1.573 1.00 2.21 H new ATOM 0 HA GLU A 62 -10.863 1.576 2.933 1.00 23.41 H new ATOM 0 HB2 GLU A 62 -9.609 4.333 2.554 1.00 61.33 H new ATOM 0 HB3 GLU A 62 -10.967 4.040 3.623 1.00 61.33 H new ATOM 0 HG2 GLU A 62 -8.311 2.589 3.887 1.00 20.30 H new ATOM 0 HG3 GLU A 62 -8.662 4.096 4.710 1.00 20.30 H new ATOM 946 N ARG A 63 -11.426 3.289 0.211 1.00 41.14 N ATOM 947 CA ARG A 63 -12.477 3.713 -0.727 1.00 44.14 C ATOM 948 C ARG A 63 -13.380 2.538 -1.145 1.00 4.22 C ATOM 949 O ARG A 63 -14.605 2.618 -1.061 1.00 72.23 O ATOM 950 CB ARG A 63 -11.837 4.320 -1.985 1.00 4.20 C ATOM 951 CG ARG A 63 -12.789 5.128 -2.868 1.00 31.32 C ATOM 952 CD ARG A 63 -13.020 6.541 -2.327 1.00 11.23 C ATOM 953 NE ARG A 63 -13.806 6.560 -1.092 1.00 5.22 N ATOM 954 CZ ARG A 63 -13.460 7.201 -0.006 1.00 23.25 C ATOM 955 NH1 ARG A 63 -12.291 7.748 0.099 1.00 23.50 N ATOM 956 NH2 ARG A 63 -14.278 7.257 0.992 1.00 20.35 N ATOM 0 H ARG A 63 -10.477 3.398 -0.147 1.00 41.14 H new ATOM 0 HA ARG A 63 -13.092 4.454 -0.216 1.00 44.14 H new ATOM 0 HB2 ARG A 63 -11.013 4.965 -1.680 1.00 4.20 H new ATOM 0 HB3 ARG A 63 -11.408 3.515 -2.581 1.00 4.20 H new ATOM 0 HG2 ARG A 63 -12.382 5.189 -3.877 1.00 31.32 H new ATOM 0 HG3 ARG A 63 -13.744 4.608 -2.941 1.00 31.32 H new ATOM 0 HD2 ARG A 63 -12.056 7.016 -2.145 1.00 11.23 H new ATOM 0 HD3 ARG A 63 -13.530 7.135 -3.085 1.00 11.23 H new ATOM 0 HE ARG A 63 -14.682 6.038 -1.078 1.00 5.22 H new ATOM 0 HH11 ARG A 63 -11.626 7.682 -0.672 1.00 23.50 H new ATOM 0 HH12 ARG A 63 -12.035 8.245 0.952 1.00 23.50 H new ATOM 0 HH21 ARG A 63 -15.189 6.802 0.931 1.00 20.35 H new ATOM 0 HH22 ARG A 63 -14.013 7.756 1.841 1.00 20.35 H new ATOM 970 N THR A 64 -12.756 1.452 -1.596 1.00 73.45 N ATOM 971 CA THR A 64 -13.479 0.315 -2.191 1.00 75.21 C ATOM 972 C THR A 64 -13.625 -0.880 -1.235 1.00 31.21 C ATOM 973 O THR A 64 -14.483 -1.737 -1.446 1.00 63.50 O ATOM 974 CB THR A 64 -12.755 -0.185 -3.462 1.00 32.42 C ATOM 975 OG1 THR A 64 -11.427 -0.622 -3.127 1.00 20.22 O ATOM 976 CG2 THR A 64 -12.685 0.910 -4.525 1.00 71.21 C ATOM 0 H THR A 64 -11.744 1.329 -1.563 1.00 73.45 H new ATOM 0 HA THR A 64 -14.474 0.694 -2.425 1.00 75.21 H new ATOM 0 HB THR A 64 -13.324 -1.021 -3.870 1.00 32.42 H new ATOM 0 HG1 THR A 64 -10.886 0.150 -2.859 1.00 20.22 H new ATOM 0 HG21 THR A 64 -12.170 0.529 -5.407 1.00 71.21 H new ATOM 0 HG22 THR A 64 -13.695 1.217 -4.798 1.00 71.21 H new ATOM 0 HG23 THR A 64 -12.140 1.767 -4.129 1.00 71.21 H new ATOM 984 N ARG A 65 -12.794 -0.927 -0.186 1.00 64.25 N ATOM 985 CA ARG A 65 -12.723 -2.086 0.734 1.00 65.14 C ATOM 986 C ARG A 65 -12.104 -3.320 0.047 1.00 53.24 C ATOM 987 O ARG A 65 -12.247 -4.447 0.528 1.00 34.53 O ATOM 988 CB ARG A 65 -14.106 -2.449 1.324 1.00 30.11 C ATOM 989 CG ARG A 65 -14.561 -1.560 2.484 1.00 61.31 C ATOM 990 CD ARG A 65 -14.777 -0.114 2.059 1.00 41.14 C ATOM 991 NE ARG A 65 -15.723 -0.001 0.952 1.00 25.32 N ATOM 992 CZ ARG A 65 -16.567 0.982 0.811 1.00 41.25 C ATOM 993 NH1 ARG A 65 -16.683 1.888 1.729 1.00 21.21 N ATOM 994 NH2 ARG A 65 -17.313 1.046 -0.241 1.00 33.34 N ATOM 0 H ARG A 65 -12.153 -0.171 0.054 1.00 64.25 H new ATOM 0 HA ARG A 65 -12.074 -1.783 1.556 1.00 65.14 H new ATOM 0 HB2 ARG A 65 -14.850 -2.395 0.529 1.00 30.11 H new ATOM 0 HB3 ARG A 65 -14.080 -3.484 1.666 1.00 30.11 H new ATOM 0 HG2 ARG A 65 -15.488 -1.956 2.899 1.00 61.31 H new ATOM 0 HG3 ARG A 65 -13.815 -1.595 3.278 1.00 61.31 H new ATOM 0 HD2 ARG A 65 -15.144 0.462 2.909 1.00 41.14 H new ATOM 0 HD3 ARG A 65 -13.823 0.323 1.766 1.00 41.14 H new ATOM 0 HE ARG A 65 -15.723 -0.737 0.246 1.00 25.32 H new ATOM 0 HH11 ARG A 65 -16.111 1.836 2.572 1.00 21.21 H new ATOM 0 HH12 ARG A 65 -17.346 2.653 1.609 1.00 21.21 H new ATOM 0 HH21 ARG A 65 -17.242 0.327 -0.961 1.00 33.34 H new ATOM 0 HH22 ARG A 65 -17.974 1.815 -0.352 1.00 33.34 H new ATOM 1008 N GLN A 66 -11.406 -3.103 -1.069 1.00 33.24 N ATOM 1009 CA GLN A 66 -10.730 -4.192 -1.788 1.00 51.15 C ATOM 1010 C GLN A 66 -9.347 -4.489 -1.189 1.00 1.52 C ATOM 1011 O GLN A 66 -8.678 -3.599 -0.657 1.00 43.51 O ATOM 1012 CB GLN A 66 -10.580 -3.841 -3.274 1.00 75.41 C ATOM 1013 CG GLN A 66 -11.902 -3.757 -4.034 1.00 53.24 C ATOM 1014 CD GLN A 66 -11.728 -3.317 -5.482 1.00 23.44 C ATOM 1015 OE1 GLN A 66 -12.608 -2.681 -6.059 1.00 54.14 O ATOM 1016 NE2 GLN A 66 -10.600 -3.652 -6.084 1.00 0.33 N ATOM 0 H GLN A 66 -11.292 -2.184 -1.497 1.00 33.24 H new ATOM 0 HA GLN A 66 -11.348 -5.084 -1.685 1.00 51.15 H new ATOM 0 HB2 GLN A 66 -10.063 -2.885 -3.360 1.00 75.41 H new ATOM 0 HB3 GLN A 66 -9.947 -4.589 -3.750 1.00 75.41 H new ATOM 0 HG2 GLN A 66 -12.390 -4.731 -4.012 1.00 53.24 H new ATOM 0 HG3 GLN A 66 -12.564 -3.057 -3.524 1.00 53.24 H new ATOM 0 HE21 GLN A 66 -9.889 -4.180 -5.578 1.00 0.33 H new ATOM 0 HE22 GLN A 66 -10.440 -3.382 -7.055 1.00 0.33 H new ATOM 1025 N ARG A 67 -8.928 -5.748 -1.279 1.00 22.45 N ATOM 1026 CA ARG A 67 -7.603 -6.166 -0.819 1.00 34.40 C ATOM 1027 C ARG A 67 -6.713 -6.556 -2.010 1.00 74.05 C ATOM 1028 O ARG A 67 -7.209 -6.999 -3.051 1.00 42.21 O ATOM 1029 CB ARG A 67 -7.731 -7.353 0.146 1.00 51.21 C ATOM 1030 CG ARG A 67 -8.572 -7.059 1.386 1.00 55.41 C ATOM 1031 CD ARG A 67 -8.664 -8.274 2.304 1.00 24.32 C ATOM 1032 NE ARG A 67 -7.345 -8.733 2.742 1.00 34.22 N ATOM 1033 CZ ARG A 67 -6.940 -9.975 2.680 1.00 20.23 C ATOM 1034 NH1 ARG A 67 -7.707 -10.903 2.203 1.00 62.32 N ATOM 1035 NH2 ARG A 67 -5.758 -10.290 3.097 1.00 22.05 N ATOM 0 H ARG A 67 -9.491 -6.504 -1.669 1.00 22.45 H new ATOM 0 HA ARG A 67 -7.140 -5.328 -0.298 1.00 34.40 H new ATOM 0 HB2 ARG A 67 -8.171 -8.195 -0.387 1.00 51.21 H new ATOM 0 HB3 ARG A 67 -6.734 -7.661 0.461 1.00 51.21 H new ATOM 0 HG2 ARG A 67 -8.136 -6.222 1.932 1.00 55.41 H new ATOM 0 HG3 ARG A 67 -9.574 -6.755 1.083 1.00 55.41 H new ATOM 0 HD2 ARG A 67 -9.269 -8.024 3.176 1.00 24.32 H new ATOM 0 HD3 ARG A 67 -9.175 -9.084 1.783 1.00 24.32 H new ATOM 0 HE ARG A 67 -6.700 -8.039 3.120 1.00 34.22 H new ATOM 0 HH11 ARG A 67 -8.642 -10.670 1.869 1.00 62.32 H new ATOM 0 HH12 ARG A 67 -7.376 -11.867 2.162 1.00 62.32 H new ATOM 0 HH21 ARG A 67 -5.142 -9.570 3.474 1.00 22.05 H new ATOM 0 HH22 ARG A 67 -5.442 -11.258 3.049 1.00 22.05 H new ATOM 1049 N GLY A 68 -5.405 -6.376 -1.862 1.00 72.44 N ATOM 1050 CA GLY A 68 -4.480 -6.763 -2.921 1.00 33.41 C ATOM 1051 C GLY A 68 -3.043 -6.328 -2.666 1.00 61.33 C ATOM 1052 O GLY A 68 -2.780 -5.480 -1.811 1.00 65.30 O ATOM 0 H GLY A 68 -4.967 -5.972 -1.034 1.00 72.44 H new ATOM 0 HA2 GLY A 68 -4.507 -7.846 -3.038 1.00 33.41 H new ATOM 0 HA3 GLY A 68 -4.819 -6.332 -3.863 1.00 33.41 H new ATOM 1056 N ASP A 69 -2.113 -6.922 -3.410 1.00 41.43 N ATOM 1057 CA ASP A 69 -0.697 -6.552 -3.334 1.00 64.13 C ATOM 1058 C ASP A 69 -0.393 -5.420 -4.325 1.00 30.33 C ATOM 1059 O ASP A 69 -0.412 -5.626 -5.538 1.00 73.23 O ATOM 1060 CB ASP A 69 0.183 -7.771 -3.644 1.00 53.35 C ATOM 1061 CG ASP A 69 -0.121 -8.953 -2.738 1.00 24.15 C ATOM 1062 OD1 ASP A 69 -1.078 -9.704 -3.027 1.00 2.00 O ATOM 1063 OD2 ASP A 69 0.601 -9.147 -1.739 1.00 62.40 O ATOM 0 H ASP A 69 -2.314 -7.667 -4.077 1.00 41.43 H new ATOM 0 HA ASP A 69 -0.478 -6.205 -2.324 1.00 64.13 H new ATOM 0 HB2 ASP A 69 0.036 -8.066 -4.683 1.00 53.35 H new ATOM 0 HB3 ASP A 69 1.232 -7.495 -3.536 1.00 53.35 H new ATOM 1068 N PHE A 70 -0.133 -4.222 -3.810 1.00 13.42 N ATOM 1069 CA PHE A 70 0.084 -3.051 -4.669 1.00 72.11 C ATOM 1070 C PHE A 70 1.565 -2.627 -4.714 1.00 54.42 C ATOM 1071 O PHE A 70 2.287 -2.732 -3.716 1.00 60.55 O ATOM 1072 CB PHE A 70 -0.793 -1.874 -4.204 1.00 24.45 C ATOM 1073 CG PHE A 70 -0.523 -1.408 -2.793 1.00 21.12 C ATOM 1074 CD1 PHE A 70 -1.192 -1.978 -1.717 1.00 63.40 C ATOM 1075 CD2 PHE A 70 0.397 -0.398 -2.540 1.00 50.44 C ATOM 1076 CE1 PHE A 70 -0.952 -1.550 -0.426 1.00 1.33 C ATOM 1077 CE2 PHE A 70 0.640 0.032 -1.250 1.00 34.12 C ATOM 1078 CZ PHE A 70 -0.034 -0.547 -0.192 1.00 30.42 C ATOM 0 H PHE A 70 -0.067 -4.032 -2.810 1.00 13.42 H new ATOM 0 HA PHE A 70 -0.203 -3.337 -5.681 1.00 72.11 H new ATOM 0 HB2 PHE A 70 -0.644 -1.036 -4.884 1.00 24.45 H new ATOM 0 HB3 PHE A 70 -1.840 -2.165 -4.282 1.00 24.45 H new ATOM 0 HD1 PHE A 70 -1.909 -2.766 -1.892 1.00 63.40 H new ATOM 0 HD2 PHE A 70 0.929 0.057 -3.363 1.00 50.44 H new ATOM 0 HE1 PHE A 70 -1.483 -2.000 0.400 1.00 1.33 H new ATOM 0 HE2 PHE A 70 1.356 0.820 -1.069 1.00 34.12 H new ATOM 0 HZ PHE A 70 0.158 -0.215 0.818 1.00 30.42 H new ATOM 1088 N PRO A 71 2.041 -2.159 -5.889 1.00 31.41 N ATOM 1089 CA PRO A 71 3.398 -1.602 -6.029 1.00 32.11 C ATOM 1090 C PRO A 71 3.548 -0.252 -5.301 1.00 23.11 C ATOM 1091 O PRO A 71 3.066 0.787 -5.770 1.00 71.33 O ATOM 1092 CB PRO A 71 3.563 -1.438 -7.547 1.00 53.20 C ATOM 1093 CG PRO A 71 2.170 -1.304 -8.069 1.00 4.01 C ATOM 1094 CD PRO A 71 1.308 -2.155 -7.172 1.00 22.42 C ATOM 0 HA PRO A 71 4.158 -2.244 -5.582 1.00 32.11 H new ATOM 0 HB2 PRO A 71 4.162 -0.560 -7.787 1.00 53.20 H new ATOM 0 HB3 PRO A 71 4.069 -2.298 -7.985 1.00 53.20 H new ATOM 0 HG2 PRO A 71 1.845 -0.264 -8.051 1.00 4.01 H new ATOM 0 HG3 PRO A 71 2.107 -1.640 -9.104 1.00 4.01 H new ATOM 0 HD2 PRO A 71 0.308 -1.736 -7.061 1.00 22.42 H new ATOM 0 HD3 PRO A 71 1.189 -3.163 -7.569 1.00 22.42 H new ATOM 1102 N GLY A 72 4.221 -0.278 -4.153 1.00 71.33 N ATOM 1103 CA GLY A 72 4.321 0.895 -3.290 1.00 15.01 C ATOM 1104 C GLY A 72 5.000 2.109 -3.923 1.00 50.52 C ATOM 1105 O GLY A 72 4.840 3.227 -3.439 1.00 74.12 O ATOM 0 H GLY A 72 4.707 -1.102 -3.798 1.00 71.33 H new ATOM 0 HA2 GLY A 72 3.318 1.182 -2.976 1.00 15.01 H new ATOM 0 HA3 GLY A 72 4.870 0.619 -2.390 1.00 15.01 H new ATOM 1109 N THR A 73 5.754 1.904 -4.998 1.00 33.34 N ATOM 1110 CA THR A 73 6.450 3.008 -5.679 1.00 74.34 C ATOM 1111 C THR A 73 5.474 4.096 -6.169 1.00 22.44 C ATOM 1112 O THR A 73 5.847 5.260 -6.318 1.00 11.51 O ATOM 1113 CB THR A 73 7.279 2.491 -6.882 1.00 35.11 C ATOM 1114 OG1 THR A 73 8.257 1.539 -6.433 1.00 60.42 O ATOM 1115 CG2 THR A 73 7.987 3.630 -7.613 1.00 1.32 C ATOM 0 H THR A 73 5.903 0.988 -5.421 1.00 33.34 H new ATOM 0 HA THR A 73 7.118 3.450 -4.940 1.00 74.34 H new ATOM 0 HB THR A 73 6.586 2.017 -7.576 1.00 35.11 H new ATOM 0 HG1 THR A 73 8.775 1.216 -7.200 1.00 60.42 H new ATOM 0 HG21 THR A 73 8.557 3.226 -8.450 1.00 1.32 H new ATOM 0 HG22 THR A 73 7.247 4.338 -7.986 1.00 1.32 H new ATOM 0 HG23 THR A 73 8.662 4.139 -6.926 1.00 1.32 H new ATOM 1123 N TYR A 74 4.217 3.720 -6.397 1.00 1.44 N ATOM 1124 CA TYR A 74 3.219 4.651 -6.945 1.00 60.53 C ATOM 1125 C TYR A 74 2.283 5.224 -5.861 1.00 50.31 C ATOM 1126 O TYR A 74 1.271 5.853 -6.176 1.00 23.21 O ATOM 1127 CB TYR A 74 2.410 3.947 -8.039 1.00 44.21 C ATOM 1128 CG TYR A 74 3.287 3.358 -9.130 1.00 51.53 C ATOM 1129 CD1 TYR A 74 3.948 4.179 -10.040 1.00 31.03 C ATOM 1130 CD2 TYR A 74 3.470 1.984 -9.239 1.00 5.21 C ATOM 1131 CE1 TYR A 74 4.757 3.646 -11.027 1.00 43.42 C ATOM 1132 CE2 TYR A 74 4.279 1.445 -10.221 1.00 14.00 C ATOM 1133 CZ TYR A 74 4.919 2.277 -11.110 1.00 0.33 C ATOM 1134 OH TYR A 74 5.727 1.741 -12.088 1.00 41.15 O ATOM 0 H TYR A 74 3.861 2.782 -6.213 1.00 1.44 H new ATOM 0 HA TYR A 74 3.756 5.499 -7.370 1.00 60.53 H new ATOM 0 HB2 TYR A 74 1.814 3.153 -7.590 1.00 44.21 H new ATOM 0 HB3 TYR A 74 1.713 4.657 -8.483 1.00 44.21 H new ATOM 0 HD1 TYR A 74 3.827 5.250 -9.974 1.00 31.03 H new ATOM 0 HD2 TYR A 74 2.971 1.326 -8.543 1.00 5.21 H new ATOM 0 HE1 TYR A 74 5.259 4.296 -11.728 1.00 43.42 H new ATOM 0 HE2 TYR A 74 4.408 0.375 -10.290 1.00 14.00 H new ATOM 0 HH TYR A 74 5.734 0.764 -12.008 1.00 41.15 H new ATOM 1144 N VAL A 75 2.630 5.013 -4.590 1.00 52.20 N ATOM 1145 CA VAL A 75 1.871 5.586 -3.465 1.00 32.32 C ATOM 1146 C VAL A 75 2.808 6.280 -2.462 1.00 64.21 C ATOM 1147 O VAL A 75 3.968 5.892 -2.310 1.00 43.12 O ATOM 1148 CB VAL A 75 1.031 4.512 -2.717 1.00 23.03 C ATOM 1149 CG1 VAL A 75 0.013 3.863 -3.652 1.00 55.51 C ATOM 1150 CG2 VAL A 75 1.932 3.460 -2.071 1.00 10.01 C ATOM 0 H VAL A 75 3.432 4.449 -4.309 1.00 52.20 H new ATOM 0 HA VAL A 75 1.189 6.319 -3.896 1.00 32.32 H new ATOM 0 HB VAL A 75 0.481 5.014 -1.921 1.00 23.03 H new ATOM 0 HG11 VAL A 75 -0.561 3.116 -3.103 1.00 55.51 H new ATOM 0 HG12 VAL A 75 -0.662 4.626 -4.041 1.00 55.51 H new ATOM 0 HG13 VAL A 75 0.534 3.383 -4.481 1.00 55.51 H new ATOM 0 HG21 VAL A 75 1.318 2.722 -1.555 1.00 10.01 H new ATOM 0 HG22 VAL A 75 2.524 2.965 -2.841 1.00 10.01 H new ATOM 0 HG23 VAL A 75 2.598 3.942 -1.355 1.00 10.01 H new ATOM 1160 N GLU A 76 2.307 7.309 -1.778 1.00 2.11 N ATOM 1161 CA GLU A 76 3.112 8.042 -0.792 1.00 63.03 C ATOM 1162 C GLU A 76 2.809 7.567 0.642 1.00 44.22 C ATOM 1163 O GLU A 76 1.717 7.068 0.930 1.00 54.53 O ATOM 1164 CB GLU A 76 2.870 9.557 -0.910 1.00 63.41 C ATOM 1165 CG GLU A 76 1.454 9.993 -0.542 1.00 4.41 C ATOM 1166 CD GLU A 76 1.279 11.504 -0.535 1.00 51.05 C ATOM 1167 OE1 GLU A 76 1.932 12.177 0.291 1.00 53.35 O ATOM 1168 OE2 GLU A 76 0.484 12.032 -1.341 1.00 22.22 O ATOM 0 H GLU A 76 1.353 7.655 -1.885 1.00 2.11 H new ATOM 0 HA GLU A 76 4.161 7.836 -1.005 1.00 63.03 H new ATOM 0 HB2 GLU A 76 3.578 10.078 -0.266 1.00 63.41 H new ATOM 0 HB3 GLU A 76 3.080 9.869 -1.933 1.00 63.41 H new ATOM 0 HG2 GLU A 76 0.750 9.555 -1.249 1.00 4.41 H new ATOM 0 HG3 GLU A 76 1.203 9.599 0.443 1.00 4.41 H new ATOM 1175 N PHE A 77 3.786 7.723 1.534 1.00 43.25 N ATOM 1176 CA PHE A 77 3.637 7.324 2.940 1.00 4.34 C ATOM 1177 C PHE A 77 3.146 8.498 3.808 1.00 11.04 C ATOM 1178 O PHE A 77 3.839 9.507 3.960 1.00 63.04 O ATOM 1179 CB PHE A 77 4.981 6.795 3.475 1.00 34.54 C ATOM 1180 CG PHE A 77 4.958 6.421 4.938 1.00 33.02 C ATOM 1181 CD1 PHE A 77 4.377 5.233 5.357 1.00 31.03 C ATOM 1182 CD2 PHE A 77 5.514 7.261 5.894 1.00 5.55 C ATOM 1183 CE1 PHE A 77 4.353 4.892 6.694 1.00 3.23 C ATOM 1184 CE2 PHE A 77 5.490 6.923 7.234 1.00 74.15 C ATOM 1185 CZ PHE A 77 4.910 5.738 7.634 1.00 24.13 C ATOM 0 H PHE A 77 4.696 8.125 1.310 1.00 43.25 H new ATOM 0 HA PHE A 77 2.887 6.534 2.993 1.00 4.34 H new ATOM 0 HB2 PHE A 77 5.273 5.921 2.892 1.00 34.54 H new ATOM 0 HB3 PHE A 77 5.747 7.554 3.317 1.00 34.54 H new ATOM 0 HD1 PHE A 77 3.938 4.567 4.628 1.00 31.03 H new ATOM 0 HD2 PHE A 77 5.971 8.190 5.587 1.00 5.55 H new ATOM 0 HE1 PHE A 77 3.899 3.963 7.006 1.00 3.23 H new ATOM 0 HE2 PHE A 77 5.925 7.586 7.967 1.00 74.15 H new ATOM 0 HZ PHE A 77 4.891 5.471 8.680 1.00 24.13 H new ATOM 1195 N LEU A 78 1.951 8.357 4.384 1.00 42.44 N ATOM 1196 CA LEU A 78 1.373 9.402 5.238 1.00 22.32 C ATOM 1197 C LEU A 78 1.952 9.348 6.663 1.00 44.25 C ATOM 1198 O LEU A 78 2.686 10.245 7.082 1.00 53.42 O ATOM 1199 CB LEU A 78 -0.155 9.253 5.290 1.00 52.42 C ATOM 1200 CG LEU A 78 -0.875 9.335 3.931 1.00 42.44 C ATOM 1201 CD1 LEU A 78 -2.383 9.169 4.102 1.00 35.24 C ATOM 1202 CD2 LEU A 78 -0.549 10.653 3.228 1.00 70.41 C ATOM 0 H LEU A 78 1.363 7.531 4.276 1.00 42.44 H new ATOM 0 HA LEU A 78 1.631 10.369 4.805 1.00 22.32 H new ATOM 0 HB2 LEU A 78 -0.394 8.295 5.751 1.00 52.42 H new ATOM 0 HB3 LEU A 78 -0.556 10.029 5.942 1.00 52.42 H new ATOM 0 HG LEU A 78 -0.516 8.517 3.306 1.00 42.44 H new ATOM 0 HD11 LEU A 78 -2.869 9.231 3.128 1.00 35.24 H new ATOM 0 HD12 LEU A 78 -2.594 8.199 4.552 1.00 35.24 H new ATOM 0 HD13 LEU A 78 -2.765 9.959 4.749 1.00 35.24 H new ATOM 0 HD21 LEU A 78 -1.067 10.692 2.270 1.00 70.41 H new ATOM 0 HD22 LEU A 78 -0.873 11.487 3.850 1.00 70.41 H new ATOM 0 HD23 LEU A 78 0.526 10.721 3.062 1.00 70.41 H new ATOM 1214 N GLY A 79 1.632 8.280 7.392 1.00 53.12 N ATOM 1215 CA GLY A 79 2.090 8.141 8.774 1.00 2.20 C ATOM 1216 C GLY A 79 1.425 6.974 9.504 1.00 62.44 C ATOM 1217 O GLY A 79 0.603 6.271 8.920 1.00 25.34 O ATOM 0 H GLY A 79 1.063 7.505 7.053 1.00 53.12 H new ATOM 0 HA2 GLY A 79 3.171 8.000 8.781 1.00 2.20 H new ATOM 0 HA3 GLY A 79 1.886 9.065 9.314 1.00 2.20 H new ATOM 1221 N PRO A 80 1.766 6.735 10.786 1.00 25.24 N ATOM 1222 CA PRO A 80 1.190 5.628 11.575 1.00 33.53 C ATOM 1223 C PRO A 80 -0.283 5.861 11.972 1.00 20.12 C ATOM 1224 O PRO A 80 -0.796 6.980 11.882 1.00 63.20 O ATOM 1225 CB PRO A 80 2.086 5.572 12.833 1.00 43.15 C ATOM 1226 CG PRO A 80 3.245 6.477 12.550 1.00 20.53 C ATOM 1227 CD PRO A 80 2.744 7.503 11.573 1.00 22.13 C ATOM 0 HA PRO A 80 1.173 4.702 11.000 1.00 33.53 H new ATOM 0 HB2 PRO A 80 1.540 5.901 13.717 1.00 43.15 H new ATOM 0 HB3 PRO A 80 2.423 4.554 13.028 1.00 43.15 H new ATOM 0 HG2 PRO A 80 3.602 6.951 13.464 1.00 20.53 H new ATOM 0 HG3 PRO A 80 4.083 5.918 12.133 1.00 20.53 H new ATOM 0 HD2 PRO A 80 2.283 8.353 12.076 1.00 22.13 H new ATOM 0 HD3 PRO A 80 3.547 7.898 10.950 1.00 22.13 H new ATOM 1235 N LEU A 81 -0.954 4.794 12.410 1.00 13.32 N ATOM 1236 CA LEU A 81 -2.350 4.877 12.866 1.00 43.42 C ATOM 1237 C LEU A 81 -2.453 5.454 14.289 1.00 53.22 C ATOM 1238 O LEU A 81 -1.552 5.272 15.117 1.00 71.55 O ATOM 1239 CB LEU A 81 -3.011 3.486 12.826 1.00 52.13 C ATOM 1240 CG LEU A 81 -3.228 2.893 11.423 1.00 54.41 C ATOM 1241 CD1 LEU A 81 -3.805 1.482 11.515 1.00 53.40 C ATOM 1242 CD2 LEU A 81 -4.141 3.789 10.592 1.00 2.11 C ATOM 0 H LEU A 81 -0.554 3.857 12.460 1.00 13.32 H new ATOM 0 HA LEU A 81 -2.873 5.551 12.187 1.00 43.42 H new ATOM 0 HB2 LEU A 81 -2.396 2.795 13.402 1.00 52.13 H new ATOM 0 HB3 LEU A 81 -3.977 3.548 13.328 1.00 52.13 H new ATOM 0 HG LEU A 81 -2.259 2.836 10.927 1.00 54.41 H new ATOM 0 HD11 LEU A 81 -3.950 1.082 10.511 1.00 53.40 H new ATOM 0 HD12 LEU A 81 -3.115 0.842 12.064 1.00 53.40 H new ATOM 0 HD13 LEU A 81 -4.762 1.514 12.035 1.00 53.40 H new ATOM 0 HD21 LEU A 81 -4.280 3.350 9.604 1.00 2.11 H new ATOM 0 HD22 LEU A 81 -5.108 3.883 11.087 1.00 2.11 H new ATOM 0 HD23 LEU A 81 -3.688 4.775 10.490 1.00 2.11 H new