USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 622 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 5 GLN : amide:sc= -5.33! C(o=-5.6!,f=-7.4!) USER MOD Set 1.2: A 72 THR OG1 : rot -170:sc= -0.252 USER MOD Single : A 3 GLN : amide:sc= -0.36 X(o=-0.36,f=-0.0054) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 30:sc= -0.749 USER MOD Single : A 10 SER OG : rot 104:sc= 0.615 USER MOD Single : A 12 ASN : amide:sc= 0.293 K(o=0.29,f=-5!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 TYR OH : rot 165:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.922 USER MOD Single : A 38 ASN : amide:sc= -0.867 K(o=-0.87,f=-0.24) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -140:sc= -0.0443 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 63 LYS NZ :NH3+ -121:sc= 0.638 (180deg=-0.267) USER MOD Single : A 66 ASN : amide:sc= 0.13 X(o=0.13,f=-0.14) USER MOD Single : A 74 THR OG1 : rot 82:sc= 0.315 USER MOD ----------------------------------------------------------------- ATOM 27 N GLN A 3 2.180 6.339 -13.928 1.00 64.32 N ATOM 28 CA GLN A 3 1.179 5.617 -13.111 1.00 55.44 C ATOM 29 C GLN A 3 1.483 5.838 -11.620 1.00 51.41 C ATOM 30 O GLN A 3 2.593 5.562 -11.152 1.00 61.34 O ATOM 31 CB GLN A 3 1.155 4.094 -13.440 1.00 5.31 C ATOM 32 CG GLN A 3 0.225 3.252 -12.533 1.00 3.23 C ATOM 33 CD GLN A 3 0.159 1.775 -12.933 1.00 45.14 C ATOM 34 OE1 GLN A 3 -0.708 1.365 -13.705 1.00 32.43 O ATOM 35 NE2 GLN A 3 1.088 0.971 -12.431 1.00 0.13 N ATOM 0 HA GLN A 3 0.192 6.014 -13.348 1.00 55.44 H new ATOM 0 HB2 GLN A 3 0.844 3.965 -14.477 1.00 5.31 H new ATOM 0 HB3 GLN A 3 2.169 3.703 -13.361 1.00 5.31 H new ATOM 0 HG2 GLN A 3 0.571 3.326 -11.502 1.00 3.23 H new ATOM 0 HG3 GLN A 3 -0.779 3.674 -12.564 1.00 3.23 H new ATOM 0 HE21 GLN A 3 1.793 1.342 -11.794 1.00 0.13 H new ATOM 0 HE22 GLN A 3 1.097 -0.017 -12.683 1.00 0.13 H new ATOM 44 N TRP A 4 0.480 6.328 -10.894 1.00 32.22 N ATOM 45 CA TRP A 4 0.608 6.693 -9.480 1.00 14.20 C ATOM 46 C TRP A 4 0.528 5.425 -8.611 1.00 4.52 C ATOM 47 O TRP A 4 -0.477 4.700 -8.633 1.00 61.10 O ATOM 48 CB TRP A 4 -0.483 7.730 -9.138 1.00 42.05 C ATOM 49 CG TRP A 4 -0.378 8.966 -10.003 1.00 23.22 C ATOM 50 CD1 TRP A 4 0.394 10.059 -9.764 1.00 43.10 C ATOM 51 CD2 TRP A 4 -1.031 9.212 -11.264 1.00 4.55 C ATOM 52 NE1 TRP A 4 0.272 10.963 -10.783 1.00 75.23 N ATOM 53 CE2 TRP A 4 -0.600 10.474 -11.712 1.00 13.42 C ATOM 54 CE3 TRP A 4 -1.933 8.493 -12.053 1.00 65.34 C ATOM 55 CZ2 TRP A 4 -1.034 11.031 -12.908 1.00 74.44 C ATOM 56 CZ3 TRP A 4 -2.371 9.051 -13.240 1.00 64.02 C ATOM 57 CH2 TRP A 4 -1.919 10.309 -13.657 1.00 51.21 C ATOM 0 H TRP A 4 -0.454 6.485 -11.272 1.00 32.22 H new ATOM 0 HA TRP A 4 1.576 7.152 -9.276 1.00 14.20 H new ATOM 0 HB2 TRP A 4 -1.466 7.278 -9.268 1.00 42.05 H new ATOM 0 HB3 TRP A 4 -0.399 8.013 -8.089 1.00 42.05 H new ATOM 0 HD1 TRP A 4 1.016 10.195 -8.892 1.00 43.10 H new ATOM 0 HE1 TRP A 4 0.755 11.859 -10.840 1.00 75.23 H new ATOM 0 HE3 TRP A 4 -2.282 7.519 -11.741 1.00 65.34 H new ATOM 0 HZ2 TRP A 4 -0.684 12.000 -13.234 1.00 74.44 H new ATOM 0 HZ3 TRP A 4 -3.073 8.508 -13.855 1.00 64.02 H new ATOM 0 HH2 TRP A 4 -2.278 10.717 -14.590 1.00 51.21 H new ATOM 68 N GLN A 5 1.607 5.169 -7.856 1.00 71.02 N ATOM 69 CA GLN A 5 1.865 3.865 -7.223 1.00 41.10 C ATOM 70 C GLN A 5 2.476 4.068 -5.810 1.00 32.12 C ATOM 71 O GLN A 5 3.263 4.992 -5.591 1.00 43.55 O ATOM 72 CB GLN A 5 2.793 3.036 -8.185 1.00 12.43 C ATOM 73 CG GLN A 5 2.943 1.531 -7.853 1.00 63.22 C ATOM 74 CD GLN A 5 3.863 1.240 -6.669 1.00 11.40 C ATOM 75 OE1 GLN A 5 3.613 0.329 -5.890 1.00 71.30 O ATOM 76 NE2 GLN A 5 4.967 1.977 -6.553 1.00 72.42 N ATOM 0 H GLN A 5 2.329 5.864 -7.666 1.00 71.02 H new ATOM 0 HA GLN A 5 0.941 3.306 -7.073 1.00 41.10 H new ATOM 0 HB2 GLN A 5 2.405 3.127 -9.200 1.00 12.43 H new ATOM 0 HB3 GLN A 5 3.784 3.489 -8.181 1.00 12.43 H new ATOM 0 HG2 GLN A 5 1.957 1.117 -7.643 1.00 63.22 H new ATOM 0 HG3 GLN A 5 3.326 1.013 -8.732 1.00 63.22 H new ATOM 0 HE21 GLN A 5 5.150 2.730 -7.217 1.00 72.42 H new ATOM 0 HE22 GLN A 5 5.629 1.788 -5.801 1.00 72.42 H new ATOM 85 N ILE A 6 2.100 3.176 -4.859 1.00 1.32 N ATOM 86 CA ILE A 6 2.521 3.232 -3.440 1.00 62.31 C ATOM 87 C ILE A 6 3.082 1.849 -3.018 1.00 20.22 C ATOM 88 O ILE A 6 2.324 0.886 -2.915 1.00 1.45 O ATOM 89 CB ILE A 6 1.298 3.595 -2.501 1.00 74.22 C ATOM 90 CG1 ILE A 6 0.546 4.860 -3.020 1.00 41.00 C ATOM 91 CG2 ILE A 6 1.748 3.776 -1.023 1.00 44.52 C ATOM 92 CD1 ILE A 6 -0.803 5.098 -2.371 1.00 54.45 C ATOM 0 H ILE A 6 1.487 2.387 -5.062 1.00 1.32 H new ATOM 0 HA ILE A 6 3.285 4.002 -3.338 1.00 62.31 H new ATOM 0 HB ILE A 6 0.602 2.757 -2.531 1.00 74.22 H new ATOM 0 HG12 ILE A 6 1.175 5.735 -2.854 1.00 41.00 H new ATOM 0 HG13 ILE A 6 0.406 4.768 -4.097 1.00 41.00 H new ATOM 0 HG21 ILE A 6 0.884 4.024 -0.407 1.00 44.52 H new ATOM 0 HG22 ILE A 6 2.196 2.850 -0.663 1.00 44.52 H new ATOM 0 HG23 ILE A 6 2.480 4.581 -0.962 1.00 44.52 H new ATOM 0 HD11 ILE A 6 -1.255 5.997 -2.791 1.00 54.45 H new ATOM 0 HD12 ILE A 6 -1.453 4.243 -2.559 1.00 54.45 H new ATOM 0 HD13 ILE A 6 -0.672 5.225 -1.296 1.00 54.45 H new ATOM 104 N LYS A 7 4.405 1.748 -2.796 1.00 61.51 N ATOM 105 CA LYS A 7 5.040 0.505 -2.297 1.00 15.43 C ATOM 106 C LYS A 7 5.185 0.562 -0.774 1.00 43.40 C ATOM 107 O LYS A 7 5.471 1.609 -0.209 1.00 60.10 O ATOM 108 CB LYS A 7 6.417 0.268 -2.970 1.00 23.22 C ATOM 109 CG LYS A 7 6.312 -0.313 -4.386 1.00 70.24 C ATOM 110 CD LYS A 7 7.655 -0.336 -5.134 1.00 11.04 C ATOM 111 CE LYS A 7 7.515 -0.885 -6.557 1.00 31.24 C ATOM 112 NZ LYS A 7 8.816 -0.874 -7.267 1.00 30.35 N ATOM 0 H LYS A 7 5.061 2.513 -2.954 1.00 61.51 H new ATOM 0 HA LYS A 7 4.396 -0.335 -2.558 1.00 15.43 H new ATOM 0 HB2 LYS A 7 6.960 1.212 -3.012 1.00 23.22 H new ATOM 0 HB3 LYS A 7 7.004 -0.410 -2.350 1.00 23.22 H new ATOM 0 HG2 LYS A 7 5.919 -1.328 -4.327 1.00 70.24 H new ATOM 0 HG3 LYS A 7 5.594 0.273 -4.960 1.00 70.24 H new ATOM 0 HD2 LYS A 7 8.064 0.674 -5.174 1.00 11.04 H new ATOM 0 HD3 LYS A 7 8.368 -0.946 -4.579 1.00 11.04 H new ATOM 0 HE2 LYS A 7 7.127 -1.903 -6.520 1.00 31.24 H new ATOM 0 HE3 LYS A 7 6.791 -0.287 -7.110 1.00 31.24 H new ATOM 0 HZ1 LYS A 7 8.690 -1.251 -8.228 1.00 30.35 H new ATOM 0 HZ2 LYS A 7 9.173 0.101 -7.322 1.00 30.35 H new ATOM 0 HZ3 LYS A 7 9.499 -1.464 -6.750 1.00 30.35 H new ATOM 126 N ILE A 8 4.971 -0.582 -0.124 1.00 45.45 N ATOM 127 CA ILE A 8 5.076 -0.722 1.340 1.00 25.33 C ATOM 128 C ILE A 8 6.220 -1.706 1.646 1.00 65.20 C ATOM 129 O ILE A 8 6.255 -2.786 1.062 1.00 25.45 O ATOM 130 CB ILE A 8 3.709 -1.245 1.932 1.00 11.33 C ATOM 131 CG1 ILE A 8 2.521 -0.353 1.436 1.00 61.11 C ATOM 132 CG2 ILE A 8 3.745 -1.316 3.481 1.00 54.34 C ATOM 133 CD1 ILE A 8 1.136 -0.865 1.798 1.00 32.33 C ATOM 0 H ILE A 8 4.717 -1.449 -0.597 1.00 45.45 H new ATOM 0 HA ILE A 8 5.290 0.242 1.802 1.00 25.33 H new ATOM 0 HB ILE A 8 3.554 -2.260 1.567 1.00 11.33 H new ATOM 0 HG12 ILE A 8 2.641 0.648 1.850 1.00 61.11 H new ATOM 0 HG13 ILE A 8 2.585 -0.259 0.352 1.00 61.11 H new ATOM 0 HG21 ILE A 8 2.787 -1.680 3.851 1.00 54.34 H new ATOM 0 HG22 ILE A 8 4.537 -1.995 3.796 1.00 54.34 H new ATOM 0 HG23 ILE A 8 3.937 -0.322 3.886 1.00 54.34 H new ATOM 0 HD11 ILE A 8 0.382 -0.180 1.411 1.00 32.33 H new ATOM 0 HD12 ILE A 8 0.987 -1.852 1.361 1.00 32.33 H new ATOM 0 HD13 ILE A 8 1.044 -0.931 2.882 1.00 32.33 H new ATOM 145 N TYR A 9 7.169 -1.316 2.516 1.00 54.40 N ATOM 146 CA TYR A 9 8.324 -2.158 2.907 1.00 12.45 C ATOM 147 C TYR A 9 8.397 -2.228 4.433 1.00 2.54 C ATOM 148 O TYR A 9 8.713 -1.231 5.070 1.00 21.22 O ATOM 149 CB TYR A 9 9.661 -1.577 2.359 1.00 13.42 C ATOM 150 CG TYR A 9 9.783 -1.587 0.834 1.00 65.25 C ATOM 151 CD1 TYR A 9 10.259 -2.715 0.164 1.00 64.22 C ATOM 152 CD2 TYR A 9 9.424 -0.473 0.066 1.00 31.54 C ATOM 153 CE1 TYR A 9 10.373 -2.732 -1.210 1.00 23.00 C ATOM 154 CE2 TYR A 9 9.539 -0.491 -1.309 1.00 12.20 C ATOM 155 CZ TYR A 9 10.012 -1.621 -1.940 1.00 34.04 C ATOM 156 OH TYR A 9 10.134 -1.637 -3.314 1.00 72.43 O ATOM 0 H TYR A 9 7.160 -0.404 2.972 1.00 54.40 H new ATOM 0 HA TYR A 9 8.183 -3.152 2.483 1.00 12.45 H new ATOM 0 HB2 TYR A 9 9.768 -0.551 2.712 1.00 13.42 H new ATOM 0 HB3 TYR A 9 10.489 -2.147 2.780 1.00 13.42 H new ATOM 0 HD1 TYR A 9 10.543 -3.589 0.731 1.00 64.22 H new ATOM 0 HD2 TYR A 9 9.051 0.414 0.557 1.00 31.54 H new ATOM 0 HE1 TYR A 9 10.744 -3.613 -1.712 1.00 23.00 H new ATOM 0 HE2 TYR A 9 9.260 0.377 -1.888 1.00 12.20 H new ATOM 0 HH TYR A 9 10.015 -2.553 -3.642 1.00 72.43 H new ATOM 166 N SER A 10 8.095 -3.396 5.005 1.00 62.13 N ATOM 167 CA SER A 10 8.191 -3.632 6.453 1.00 34.34 C ATOM 168 C SER A 10 8.726 -5.045 6.707 1.00 23.11 C ATOM 169 O SER A 10 8.646 -5.927 5.835 1.00 70.53 O ATOM 170 CB SER A 10 6.816 -3.410 7.139 1.00 72.14 C ATOM 171 OG SER A 10 6.873 -3.636 8.536 1.00 71.14 O ATOM 0 H SER A 10 7.776 -4.209 4.478 1.00 62.13 H new ATOM 0 HA SER A 10 8.887 -2.916 6.890 1.00 34.34 H new ATOM 0 HB2 SER A 10 6.478 -2.391 6.951 1.00 72.14 H new ATOM 0 HB3 SER A 10 6.078 -4.078 6.694 1.00 72.14 H new ATOM 0 HG SER A 10 6.874 -2.776 9.007 1.00 71.14 H new ATOM 177 N GLU A 11 9.271 -5.231 7.910 1.00 2.14 N ATOM 178 CA GLU A 11 9.871 -6.492 8.357 1.00 53.01 C ATOM 179 C GLU A 11 8.765 -7.388 8.922 1.00 34.24 C ATOM 180 O GLU A 11 8.730 -8.598 8.676 1.00 62.45 O ATOM 181 CB GLU A 11 10.963 -6.233 9.442 1.00 60.32 C ATOM 182 CG GLU A 11 12.118 -5.275 9.032 1.00 41.24 C ATOM 183 CD GLU A 11 11.701 -3.798 8.860 1.00 25.43 C ATOM 184 OE1 GLU A 11 11.389 -3.143 9.877 1.00 14.33 O ATOM 185 OE2 GLU A 11 11.683 -3.285 7.716 1.00 71.04 O ATOM 0 H GLU A 11 9.309 -4.496 8.616 1.00 2.14 H new ATOM 0 HA GLU A 11 10.352 -6.983 7.511 1.00 53.01 H new ATOM 0 HB2 GLU A 11 10.477 -5.825 10.328 1.00 60.32 H new ATOM 0 HB3 GLU A 11 11.397 -7.191 9.729 1.00 60.32 H new ATOM 0 HG2 GLU A 11 12.903 -5.331 9.786 1.00 41.24 H new ATOM 0 HG3 GLU A 11 12.549 -5.628 8.095 1.00 41.24 H new ATOM 192 N ASN A 12 7.870 -6.748 9.687 1.00 0.54 N ATOM 193 CA ASN A 12 6.699 -7.389 10.283 1.00 74.11 C ATOM 194 C ASN A 12 5.602 -7.506 9.206 1.00 22.21 C ATOM 195 O ASN A 12 5.158 -6.494 8.651 1.00 13.23 O ATOM 196 CB ASN A 12 6.199 -6.552 11.494 1.00 14.02 C ATOM 197 CG ASN A 12 5.148 -7.255 12.366 1.00 31.42 C ATOM 198 OD1 ASN A 12 4.481 -8.201 11.942 1.00 13.41 O ATOM 199 ND2 ASN A 12 4.969 -6.778 13.590 1.00 3.21 N ATOM 0 H ASN A 12 7.944 -5.755 9.910 1.00 0.54 H new ATOM 0 HA ASN A 12 6.956 -8.385 10.645 1.00 74.11 H new ATOM 0 HB2 ASN A 12 7.055 -6.292 12.117 1.00 14.02 H new ATOM 0 HB3 ASN A 12 5.779 -5.617 11.124 1.00 14.02 H new ATOM 0 HD21 ASN A 12 4.268 -7.195 14.202 1.00 3.21 H new ATOM 0 HD22 ASN A 12 5.533 -5.994 13.919 1.00 3.21 H new ATOM 206 N GLU A 13 5.185 -8.749 8.915 1.00 22.51 N ATOM 207 CA GLU A 13 4.182 -9.045 7.881 1.00 1.15 C ATOM 208 C GLU A 13 2.778 -8.573 8.295 1.00 12.22 C ATOM 209 O GLU A 13 1.943 -8.322 7.432 1.00 35.34 O ATOM 210 CB GLU A 13 4.217 -10.561 7.522 1.00 32.11 C ATOM 211 CG GLU A 13 3.858 -11.567 8.652 1.00 20.42 C ATOM 212 CD GLU A 13 2.341 -11.829 8.831 1.00 11.01 C ATOM 213 OE1 GLU A 13 1.721 -12.415 7.917 1.00 20.21 O ATOM 214 OE2 GLU A 13 1.771 -11.457 9.883 1.00 25.41 O ATOM 0 H GLU A 13 5.536 -9.579 9.392 1.00 22.51 H new ATOM 0 HA GLU A 13 4.434 -8.482 6.982 1.00 1.15 H new ATOM 0 HB2 GLU A 13 3.531 -10.727 6.691 1.00 32.11 H new ATOM 0 HB3 GLU A 13 5.218 -10.800 7.162 1.00 32.11 H new ATOM 0 HG2 GLU A 13 4.354 -12.515 8.446 1.00 20.42 H new ATOM 0 HG3 GLU A 13 4.262 -11.194 9.593 1.00 20.42 H new ATOM 221 N ARG A 14 2.547 -8.436 9.627 1.00 11.32 N ATOM 222 CA ARG A 14 1.261 -7.967 10.199 1.00 2.23 C ATOM 223 C ARG A 14 0.903 -6.556 9.701 1.00 74.21 C ATOM 224 O ARG A 14 -0.277 -6.238 9.514 1.00 23.44 O ATOM 225 CB ARG A 14 1.314 -7.995 11.753 1.00 11.12 C ATOM 226 CG ARG A 14 -0.003 -7.589 12.461 1.00 10.30 C ATOM 227 CD ARG A 14 -1.197 -8.544 12.154 1.00 4.10 C ATOM 228 NE ARG A 14 -2.402 -7.821 11.707 1.00 32.53 N ATOM 229 CZ ARG A 14 -3.452 -8.374 11.078 1.00 70.14 C ATOM 230 NH1 ARG A 14 -3.481 -9.679 10.798 1.00 52.35 N ATOM 231 NH2 ARG A 14 -4.465 -7.607 10.707 1.00 2.31 N ATOM 0 H ARG A 14 3.250 -8.649 10.334 1.00 11.32 H new ATOM 0 HA ARG A 14 0.480 -8.648 9.860 1.00 2.23 H new ATOM 0 HB2 ARG A 14 1.586 -9.000 12.074 1.00 11.12 H new ATOM 0 HB3 ARG A 14 2.109 -7.328 12.086 1.00 11.12 H new ATOM 0 HG2 ARG A 14 0.165 -7.566 13.538 1.00 10.30 H new ATOM 0 HG3 ARG A 14 -0.271 -6.577 12.159 1.00 10.30 H new ATOM 0 HD2 ARG A 14 -0.899 -9.256 11.385 1.00 4.10 H new ATOM 0 HD3 ARG A 14 -1.435 -9.121 13.048 1.00 4.10 H new ATOM 0 HE ARG A 14 -2.441 -6.818 11.891 1.00 32.53 H new ATOM 0 HH11 ARG A 14 -2.697 -10.275 11.062 1.00 52.35 H new ATOM 0 HH12 ARG A 14 -4.288 -10.080 10.320 1.00 52.35 H new ATOM 0 HH21 ARG A 14 -4.444 -6.606 10.899 1.00 2.31 H new ATOM 0 HH22 ARG A 14 -5.267 -8.017 10.229 1.00 2.31 H new ATOM 245 N GLU A 15 1.942 -5.749 9.454 1.00 2.53 N ATOM 246 CA GLU A 15 1.805 -4.381 8.945 1.00 33.11 C ATOM 247 C GLU A 15 1.201 -4.375 7.528 1.00 14.33 C ATOM 248 O GLU A 15 0.449 -3.471 7.158 1.00 40.34 O ATOM 249 CB GLU A 15 3.189 -3.691 8.969 1.00 24.22 C ATOM 250 CG GLU A 15 3.899 -3.729 10.346 1.00 74.43 C ATOM 251 CD GLU A 15 2.976 -3.369 11.533 1.00 14.00 C ATOM 252 OE1 GLU A 15 2.744 -2.167 11.777 1.00 24.13 O ATOM 253 OE2 GLU A 15 2.479 -4.293 12.228 1.00 50.21 O ATOM 0 H GLU A 15 2.911 -6.031 9.604 1.00 2.53 H new ATOM 0 HA GLU A 15 1.120 -3.826 9.585 1.00 33.11 H new ATOM 0 HB2 GLU A 15 3.832 -4.168 8.229 1.00 24.22 H new ATOM 0 HB3 GLU A 15 3.069 -2.651 8.664 1.00 24.22 H new ATOM 0 HG2 GLU A 15 4.309 -4.726 10.506 1.00 74.43 H new ATOM 0 HG3 GLU A 15 4.741 -3.037 10.330 1.00 74.43 H new ATOM 260 N PHE A 16 1.537 -5.416 6.758 1.00 20.14 N ATOM 261 CA PHE A 16 0.954 -5.662 5.434 1.00 72.10 C ATOM 262 C PHE A 16 -0.477 -6.185 5.562 1.00 12.32 C ATOM 263 O PHE A 16 -1.344 -5.746 4.826 1.00 64.31 O ATOM 264 CB PHE A 16 1.829 -6.656 4.647 1.00 62.43 C ATOM 265 CG PHE A 16 3.167 -6.069 4.255 1.00 35.50 C ATOM 266 CD1 PHE A 16 4.262 -6.131 5.114 1.00 30.34 C ATOM 267 CD2 PHE A 16 3.313 -5.421 3.039 1.00 14.23 C ATOM 268 CE1 PHE A 16 5.457 -5.561 4.757 1.00 74.23 C ATOM 269 CE2 PHE A 16 4.505 -4.846 2.688 1.00 12.12 C ATOM 270 CZ PHE A 16 5.578 -4.917 3.545 1.00 45.44 C ATOM 0 H PHE A 16 2.225 -6.115 7.037 1.00 20.14 H new ATOM 0 HA PHE A 16 0.920 -4.719 4.888 1.00 72.10 H new ATOM 0 HB2 PHE A 16 1.991 -7.549 5.251 1.00 62.43 H new ATOM 0 HB3 PHE A 16 1.297 -6.971 3.749 1.00 62.43 H new ATOM 0 HD1 PHE A 16 4.169 -6.631 6.067 1.00 30.34 H new ATOM 0 HD2 PHE A 16 2.476 -5.369 2.359 1.00 14.23 H new ATOM 0 HE1 PHE A 16 6.303 -5.617 5.426 1.00 74.23 H new ATOM 0 HE2 PHE A 16 4.602 -4.338 1.740 1.00 12.12 H new ATOM 0 HZ PHE A 16 6.519 -4.466 3.267 1.00 45.44 H new ATOM 280 N ARG A 17 -0.706 -7.092 6.538 1.00 41.12 N ATOM 281 CA ARG A 17 -2.029 -7.722 6.774 1.00 71.51 C ATOM 282 C ARG A 17 -3.105 -6.659 7.057 1.00 64.12 C ATOM 283 O ARG A 17 -4.260 -6.830 6.667 1.00 23.32 O ATOM 284 CB ARG A 17 -1.965 -8.718 7.957 1.00 50.21 C ATOM 285 CG ARG A 17 -0.860 -9.787 7.866 1.00 52.52 C ATOM 286 CD ARG A 17 -1.017 -10.755 6.697 1.00 61.42 C ATOM 287 NE ARG A 17 -2.190 -11.626 6.849 1.00 24.12 N ATOM 288 CZ ARG A 17 -2.186 -12.860 7.387 1.00 55.41 C ATOM 289 NH1 ARG A 17 -1.067 -13.414 7.863 1.00 33.44 N ATOM 290 NH2 ARG A 17 -3.307 -13.558 7.404 1.00 0.12 N ATOM 0 H ARG A 17 0.017 -7.409 7.184 1.00 41.12 H new ATOM 0 HA ARG A 17 -2.297 -8.264 5.867 1.00 71.51 H new ATOM 0 HB2 ARG A 17 -1.824 -8.152 8.878 1.00 50.21 H new ATOM 0 HB3 ARG A 17 -2.928 -9.222 8.037 1.00 50.21 H new ATOM 0 HG2 ARG A 17 0.106 -9.288 7.782 1.00 52.52 H new ATOM 0 HG3 ARG A 17 -0.845 -10.357 8.795 1.00 52.52 H new ATOM 0 HD2 ARG A 17 -1.105 -10.190 5.769 1.00 61.42 H new ATOM 0 HD3 ARG A 17 -0.120 -11.368 6.613 1.00 61.42 H new ATOM 0 HE ARG A 17 -3.085 -11.265 6.518 1.00 24.12 H new ATOM 0 HH11 ARG A 17 -0.187 -12.900 7.824 1.00 33.44 H new ATOM 0 HH12 ARG A 17 -1.093 -14.351 8.265 1.00 33.44 H new ATOM 0 HH21 ARG A 17 -4.161 -13.161 7.013 1.00 0.12 H new ATOM 0 HH22 ARG A 17 -3.319 -14.494 7.808 1.00 0.12 H new ATOM 304 N GLU A 18 -2.686 -5.554 7.723 1.00 1.43 N ATOM 305 CA GLU A 18 -3.528 -4.364 7.935 1.00 65.15 C ATOM 306 C GLU A 18 -4.072 -3.857 6.583 1.00 54.32 C ATOM 307 O GLU A 18 -5.284 -3.852 6.347 1.00 65.40 O ATOM 308 CB GLU A 18 -2.713 -3.237 8.633 1.00 72.23 C ATOM 309 CG GLU A 18 -2.204 -3.569 10.050 1.00 72.12 C ATOM 310 CD GLU A 18 -3.333 -3.841 11.060 1.00 32.44 C ATOM 311 OE1 GLU A 18 -4.040 -2.891 11.443 1.00 74.12 O ATOM 312 OE2 GLU A 18 -3.511 -4.999 11.488 1.00 2.24 O ATOM 0 H GLU A 18 -1.753 -5.469 8.126 1.00 1.43 H new ATOM 0 HA GLU A 18 -4.364 -4.640 8.578 1.00 65.15 H new ATOM 0 HB2 GLU A 18 -1.856 -2.990 8.006 1.00 72.23 H new ATOM 0 HB3 GLU A 18 -3.335 -2.344 8.689 1.00 72.23 H new ATOM 0 HG2 GLU A 18 -1.555 -4.443 9.999 1.00 72.12 H new ATOM 0 HG3 GLU A 18 -1.595 -2.741 10.412 1.00 72.12 H new ATOM 319 N LEU A 19 -3.140 -3.509 5.677 1.00 3.24 N ATOM 320 CA LEU A 19 -3.470 -2.912 4.375 1.00 13.13 C ATOM 321 C LEU A 19 -4.197 -3.899 3.453 1.00 0.35 C ATOM 322 O LEU A 19 -5.145 -3.500 2.802 1.00 54.20 O ATOM 323 CB LEU A 19 -2.213 -2.318 3.674 1.00 30.40 C ATOM 324 CG LEU A 19 -1.752 -0.913 4.184 1.00 44.14 C ATOM 325 CD1 LEU A 19 -2.910 0.116 4.115 1.00 55.23 C ATOM 326 CD2 LEU A 19 -1.116 -0.978 5.598 1.00 50.24 C ATOM 0 H LEU A 19 -2.139 -3.635 5.829 1.00 3.24 H new ATOM 0 HA LEU A 19 -4.156 -2.090 4.579 1.00 13.13 H new ATOM 0 HB2 LEU A 19 -1.386 -3.018 3.797 1.00 30.40 H new ATOM 0 HB3 LEU A 19 -2.415 -2.248 2.605 1.00 30.40 H new ATOM 0 HG LEU A 19 -0.966 -0.569 3.511 1.00 44.14 H new ATOM 0 HD11 LEU A 19 -2.559 1.083 4.476 1.00 55.23 H new ATOM 0 HD12 LEU A 19 -3.248 0.215 3.083 1.00 55.23 H new ATOM 0 HD13 LEU A 19 -3.737 -0.225 4.737 1.00 55.23 H new ATOM 0 HD21 LEU A 19 -0.813 0.022 5.907 1.00 50.24 H new ATOM 0 HD22 LEU A 19 -1.845 -1.371 6.307 1.00 50.24 H new ATOM 0 HD23 LEU A 19 -0.243 -1.631 5.575 1.00 50.24 H new ATOM 338 N ILE A 20 -3.768 -5.180 3.437 1.00 20.51 N ATOM 339 CA ILE A 20 -4.395 -6.241 2.610 1.00 20.22 C ATOM 340 C ILE A 20 -5.915 -6.276 2.868 1.00 40.01 C ATOM 341 O ILE A 20 -6.716 -6.082 1.949 1.00 44.55 O ATOM 342 CB ILE A 20 -3.772 -7.668 2.911 1.00 5.42 C ATOM 343 CG1 ILE A 20 -2.256 -7.733 2.527 1.00 50.03 C ATOM 344 CG2 ILE A 20 -4.565 -8.811 2.215 1.00 51.24 C ATOM 345 CD1 ILE A 20 -1.942 -7.614 1.046 1.00 42.12 C ATOM 0 H ILE A 20 -2.980 -5.510 3.994 1.00 20.51 H new ATOM 0 HA ILE A 20 -4.200 -6.004 1.564 1.00 20.22 H new ATOM 0 HB ILE A 20 -3.852 -7.819 3.988 1.00 5.42 H new ATOM 0 HG12 ILE A 20 -1.733 -6.936 3.055 1.00 50.03 H new ATOM 0 HG13 ILE A 20 -1.849 -8.677 2.890 1.00 50.03 H new ATOM 0 HG21 ILE A 20 -4.102 -9.770 2.449 1.00 51.24 H new ATOM 0 HG22 ILE A 20 -5.595 -8.808 2.571 1.00 51.24 H new ATOM 0 HG23 ILE A 20 -4.554 -8.657 1.136 1.00 51.24 H new ATOM 0 HD11 ILE A 20 -0.864 -7.672 0.897 1.00 42.12 H new ATOM 0 HD12 ILE A 20 -2.427 -8.426 0.505 1.00 42.12 H new ATOM 0 HD13 ILE A 20 -2.309 -6.658 0.672 1.00 42.12 H new ATOM 357 N GLU A 21 -6.267 -6.411 4.160 1.00 34.43 N ATOM 358 CA GLU A 21 -7.656 -6.555 4.614 1.00 31.14 C ATOM 359 C GLU A 21 -8.460 -5.251 4.432 1.00 12.03 C ATOM 360 O GLU A 21 -9.677 -5.307 4.232 1.00 33.23 O ATOM 361 CB GLU A 21 -7.667 -7.043 6.082 1.00 62.45 C ATOM 362 CG GLU A 21 -6.993 -8.420 6.275 1.00 73.40 C ATOM 363 CD GLU A 21 -7.010 -8.931 7.723 1.00 33.42 C ATOM 364 OE1 GLU A 21 -6.108 -8.570 8.509 1.00 24.21 O ATOM 365 OE2 GLU A 21 -7.924 -9.709 8.090 1.00 0.23 O ATOM 0 H GLU A 21 -5.588 -6.423 4.921 1.00 34.43 H new ATOM 0 HA GLU A 21 -8.152 -7.301 3.994 1.00 31.14 H new ATOM 0 HB2 GLU A 21 -7.159 -6.307 6.706 1.00 62.45 H new ATOM 0 HB3 GLU A 21 -8.698 -7.099 6.431 1.00 62.45 H new ATOM 0 HG2 GLU A 21 -7.493 -9.149 5.638 1.00 73.40 H new ATOM 0 HG3 GLU A 21 -5.959 -8.357 5.936 1.00 73.40 H new ATOM 372 N ARG A 22 -7.775 -4.087 4.485 1.00 23.22 N ATOM 373 CA ARG A 22 -8.415 -2.786 4.197 1.00 23.44 C ATOM 374 C ARG A 22 -8.748 -2.648 2.695 1.00 10.25 C ATOM 375 O ARG A 22 -9.873 -2.307 2.351 1.00 3.15 O ATOM 376 CB ARG A 22 -7.537 -1.588 4.680 1.00 12.45 C ATOM 377 CG ARG A 22 -7.374 -1.455 6.216 1.00 23.23 C ATOM 378 CD ARG A 22 -8.704 -1.264 6.989 1.00 40.43 C ATOM 379 NE ARG A 22 -9.517 -2.495 7.062 1.00 72.43 N ATOM 380 CZ ARG A 22 -10.865 -2.552 7.008 1.00 64.50 C ATOM 381 NH1 ARG A 22 -11.608 -1.451 6.884 1.00 35.42 N ATOM 382 NH2 ARG A 22 -11.467 -3.726 7.043 1.00 30.04 N ATOM 0 H ARG A 22 -6.785 -4.023 4.723 1.00 23.22 H new ATOM 0 HA ARG A 22 -9.349 -2.758 4.758 1.00 23.44 H new ATOM 0 HB2 ARG A 22 -6.547 -1.683 4.234 1.00 12.45 H new ATOM 0 HB3 ARG A 22 -7.971 -0.665 4.297 1.00 12.45 H new ATOM 0 HG2 ARG A 22 -6.873 -2.346 6.594 1.00 23.23 H new ATOM 0 HG3 ARG A 22 -6.721 -0.609 6.427 1.00 23.23 H new ATOM 0 HD2 ARG A 22 -8.483 -0.922 8.000 1.00 40.43 H new ATOM 0 HD3 ARG A 22 -9.287 -0.479 6.507 1.00 40.43 H new ATOM 0 HE ARG A 22 -9.017 -3.378 7.162 1.00 72.43 H new ATOM 0 HH11 ARG A 22 -11.159 -0.537 6.827 1.00 35.42 H new ATOM 0 HH12 ARG A 22 -12.625 -1.523 6.846 1.00 35.42 H new ATOM 0 HH21 ARG A 22 -10.914 -4.581 7.110 1.00 30.04 H new ATOM 0 HH22 ARG A 22 -12.485 -3.779 7.003 1.00 30.04 H new ATOM 396 N LEU A 23 -7.770 -2.973 1.822 1.00 41.12 N ATOM 397 CA LEU A 23 -7.862 -2.757 0.353 1.00 42.24 C ATOM 398 C LEU A 23 -8.889 -3.710 -0.307 1.00 40.55 C ATOM 399 O LEU A 23 -9.405 -3.417 -1.396 1.00 33.02 O ATOM 400 CB LEU A 23 -6.457 -2.907 -0.311 1.00 71.10 C ATOM 401 CG LEU A 23 -5.332 -1.943 0.207 1.00 12.54 C ATOM 402 CD1 LEU A 23 -3.980 -2.228 -0.481 1.00 25.10 C ATOM 403 CD2 LEU A 23 -5.725 -0.456 0.081 1.00 44.42 C ATOM 0 H LEU A 23 -6.888 -3.395 2.113 1.00 41.12 H new ATOM 0 HA LEU A 23 -8.217 -1.739 0.191 1.00 42.24 H new ATOM 0 HB2 LEU A 23 -6.120 -3.933 -0.168 1.00 71.10 H new ATOM 0 HB3 LEU A 23 -6.569 -2.755 -1.385 1.00 71.10 H new ATOM 0 HG LEU A 23 -5.213 -2.147 1.271 1.00 12.54 H new ATOM 0 HD11 LEU A 23 -3.225 -1.542 -0.098 1.00 25.10 H new ATOM 0 HD12 LEU A 23 -3.676 -3.254 -0.275 1.00 25.10 H new ATOM 0 HD13 LEU A 23 -4.083 -2.090 -1.557 1.00 25.10 H new ATOM 0 HD21 LEU A 23 -4.912 0.168 0.453 1.00 44.42 H new ATOM 0 HD22 LEU A 23 -5.916 -0.217 -0.965 1.00 44.42 H new ATOM 0 HD23 LEU A 23 -6.625 -0.267 0.666 1.00 44.42 H new ATOM 415 N GLU A 24 -9.157 -4.854 0.367 1.00 32.22 N ATOM 416 CA GLU A 24 -10.253 -5.785 0.001 1.00 13.41 C ATOM 417 C GLU A 24 -11.619 -5.127 0.296 1.00 33.40 C ATOM 418 O GLU A 24 -12.550 -5.202 -0.510 1.00 20.22 O ATOM 419 CB GLU A 24 -10.123 -7.121 0.797 1.00 31.11 C ATOM 420 CG GLU A 24 -8.824 -7.912 0.527 1.00 62.35 C ATOM 421 CD GLU A 24 -8.700 -9.207 1.356 1.00 35.51 C ATOM 422 OE1 GLU A 24 -8.469 -9.122 2.580 1.00 1.32 O ATOM 423 OE2 GLU A 24 -8.840 -10.320 0.789 1.00 32.24 O ATOM 0 H GLU A 24 -8.620 -5.158 1.179 1.00 32.22 H new ATOM 0 HA GLU A 24 -10.183 -6.007 -1.064 1.00 13.41 H new ATOM 0 HB2 GLU A 24 -10.182 -6.900 1.863 1.00 31.11 H new ATOM 0 HB3 GLU A 24 -10.975 -7.756 0.555 1.00 31.11 H new ATOM 0 HG2 GLU A 24 -8.777 -8.164 -0.532 1.00 62.35 H new ATOM 0 HG3 GLU A 24 -7.968 -7.271 0.741 1.00 62.35 H new ATOM 430 N GLU A 25 -11.699 -4.467 1.465 1.00 12.12 N ATOM 431 CA GLU A 25 -12.929 -3.834 1.973 1.00 42.35 C ATOM 432 C GLU A 25 -13.186 -2.449 1.346 1.00 2.23 C ATOM 433 O GLU A 25 -14.313 -1.936 1.433 1.00 72.34 O ATOM 434 CB GLU A 25 -12.859 -3.723 3.520 1.00 31.22 C ATOM 435 CG GLU A 25 -12.870 -5.072 4.269 1.00 30.33 C ATOM 436 CD GLU A 25 -14.142 -5.901 4.020 1.00 45.15 C ATOM 437 OE1 GLU A 25 -15.232 -5.471 4.459 1.00 33.12 O ATOM 438 OE2 GLU A 25 -14.061 -6.984 3.402 1.00 4.14 O ATOM 0 H GLU A 25 -10.901 -4.357 2.091 1.00 12.12 H new ATOM 0 HA GLU A 25 -13.767 -4.469 1.685 1.00 42.35 H new ATOM 0 HB2 GLU A 25 -11.953 -3.181 3.790 1.00 31.22 H new ATOM 0 HB3 GLU A 25 -13.703 -3.125 3.865 1.00 31.22 H new ATOM 0 HG2 GLU A 25 -12.001 -5.655 3.965 1.00 30.33 H new ATOM 0 HG3 GLU A 25 -12.771 -4.886 5.338 1.00 30.33 H new ATOM 445 N GLU A 26 -12.143 -1.826 0.756 1.00 34.22 N ATOM 446 CA GLU A 26 -12.286 -0.545 0.032 1.00 21.41 C ATOM 447 C GLU A 26 -13.062 -0.797 -1.270 1.00 21.44 C ATOM 448 O GLU A 26 -12.495 -1.300 -2.242 1.00 71.14 O ATOM 449 CB GLU A 26 -10.907 0.111 -0.280 1.00 43.12 C ATOM 450 CG GLU A 26 -10.053 0.517 0.941 1.00 34.10 C ATOM 451 CD GLU A 26 -10.785 1.443 1.929 1.00 61.34 C ATOM 452 OE1 GLU A 26 -10.842 2.672 1.685 1.00 34.54 O ATOM 453 OE2 GLU A 26 -11.315 0.947 2.947 1.00 32.44 O ATOM 0 H GLU A 26 -11.191 -2.191 0.767 1.00 34.22 H new ATOM 0 HA GLU A 26 -12.830 0.152 0.669 1.00 21.41 H new ATOM 0 HB2 GLU A 26 -10.327 -0.583 -0.888 1.00 43.12 H new ATOM 0 HB3 GLU A 26 -11.080 0.999 -0.888 1.00 43.12 H new ATOM 0 HG2 GLU A 26 -9.737 -0.384 1.467 1.00 34.10 H new ATOM 0 HG3 GLU A 26 -9.149 1.016 0.591 1.00 34.10 H new ATOM 460 N ARG A 27 -14.367 -0.471 -1.251 1.00 21.30 N ATOM 461 CA ARG A 27 -15.292 -0.766 -2.354 1.00 34.23 C ATOM 462 C ARG A 27 -15.040 0.164 -3.573 1.00 71.12 C ATOM 463 O ARG A 27 -14.839 1.372 -3.381 1.00 41.03 O ATOM 464 CB ARG A 27 -16.762 -0.677 -1.855 1.00 55.44 C ATOM 465 CG ARG A 27 -17.091 -1.683 -0.725 1.00 2.24 C ATOM 466 CD ARG A 27 -16.834 -3.148 -1.144 1.00 40.54 C ATOM 467 NE ARG A 27 -16.974 -4.090 -0.019 1.00 62.02 N ATOM 468 CZ ARG A 27 -16.268 -5.233 0.128 1.00 63.44 C ATOM 469 NH1 ARG A 27 -15.357 -5.598 -0.774 1.00 63.34 N ATOM 470 NH2 ARG A 27 -16.469 -6.003 1.190 1.00 34.12 N ATOM 0 H ARG A 27 -14.809 0.007 -0.465 1.00 21.30 H new ATOM 0 HA ARG A 27 -15.109 -1.785 -2.695 1.00 34.23 H new ATOM 0 HB2 ARG A 27 -16.956 0.335 -1.498 1.00 55.44 H new ATOM 0 HB3 ARG A 27 -17.434 -0.853 -2.695 1.00 55.44 H new ATOM 0 HG2 ARG A 27 -16.489 -1.448 0.153 1.00 2.24 H new ATOM 0 HG3 ARG A 27 -18.135 -1.569 -0.434 1.00 2.24 H new ATOM 0 HD2 ARG A 27 -17.532 -3.424 -1.934 1.00 40.54 H new ATOM 0 HD3 ARG A 27 -15.831 -3.232 -1.562 1.00 40.54 H new ATOM 0 HE ARG A 27 -17.656 -3.862 0.704 1.00 62.02 H new ATOM 0 HH11 ARG A 27 -15.184 -5.011 -1.590 1.00 63.34 H new ATOM 0 HH12 ARG A 27 -14.833 -6.464 -0.648 1.00 63.34 H new ATOM 0 HH21 ARG A 27 -17.156 -5.732 1.894 1.00 34.12 H new ATOM 0 HH22 ARG A 27 -15.937 -6.866 1.302 1.00 34.12 H new ATOM 484 N PRO A 28 -15.033 -0.373 -4.854 1.00 63.15 N ATOM 485 CA PRO A 28 -15.272 -1.818 -5.180 1.00 45.30 C ATOM 486 C PRO A 28 -14.093 -2.746 -4.757 1.00 22.32 C ATOM 487 O PRO A 28 -14.312 -3.753 -4.067 1.00 71.52 O ATOM 488 CB PRO A 28 -15.483 -1.797 -6.717 1.00 23.24 C ATOM 489 CG PRO A 28 -14.700 -0.610 -7.198 1.00 23.32 C ATOM 490 CD PRO A 28 -14.807 0.432 -6.095 1.00 34.23 C ATOM 0 HA PRO A 28 -16.120 -2.233 -4.634 1.00 45.30 H new ATOM 0 HB2 PRO A 28 -15.126 -2.718 -7.177 1.00 23.24 H new ATOM 0 HB3 PRO A 28 -16.539 -1.702 -6.970 1.00 23.24 H new ATOM 0 HG2 PRO A 28 -13.660 -0.877 -7.384 1.00 23.32 H new ATOM 0 HG3 PRO A 28 -15.104 -0.229 -8.136 1.00 23.32 H new ATOM 0 HD2 PRO A 28 -13.899 1.030 -6.022 1.00 34.23 H new ATOM 0 HD3 PRO A 28 -15.630 1.123 -6.278 1.00 34.23 H new ATOM 498 N SER A 29 -12.865 -2.352 -5.131 1.00 75.32 N ATOM 499 CA SER A 29 -11.612 -3.033 -4.754 1.00 14.22 C ATOM 500 C SER A 29 -10.444 -2.158 -5.220 1.00 22.24 C ATOM 501 O SER A 29 -10.532 -1.515 -6.276 1.00 64.21 O ATOM 502 CB SER A 29 -11.505 -4.454 -5.374 1.00 65.22 C ATOM 503 OG SER A 29 -10.343 -5.151 -4.920 1.00 3.01 O ATOM 0 H SER A 29 -12.710 -1.532 -5.718 1.00 75.32 H new ATOM 0 HA SER A 29 -11.591 -3.167 -3.672 1.00 14.22 H new ATOM 0 HB2 SER A 29 -12.395 -5.029 -5.119 1.00 65.22 H new ATOM 0 HB3 SER A 29 -11.478 -4.374 -6.461 1.00 65.22 H new ATOM 0 HG SER A 29 -10.313 -6.040 -5.331 1.00 3.01 H new ATOM 509 N VAL A 30 -9.366 -2.123 -4.428 1.00 72.02 N ATOM 510 CA VAL A 30 -8.122 -1.435 -4.797 1.00 25.31 C ATOM 511 C VAL A 30 -7.227 -2.403 -5.587 1.00 11.20 C ATOM 512 O VAL A 30 -7.210 -3.611 -5.303 1.00 2.52 O ATOM 513 CB VAL A 30 -7.364 -0.905 -3.518 1.00 51.12 C ATOM 514 CG1 VAL A 30 -6.009 -0.234 -3.864 1.00 42.33 C ATOM 515 CG2 VAL A 30 -8.262 0.064 -2.719 1.00 53.01 C ATOM 0 H VAL A 30 -9.331 -2.571 -3.512 1.00 72.02 H new ATOM 0 HA VAL A 30 -8.366 -0.572 -5.417 1.00 25.31 H new ATOM 0 HB VAL A 30 -7.138 -1.774 -2.899 1.00 51.12 H new ATOM 0 HG11 VAL A 30 -5.530 0.112 -2.948 1.00 42.33 H new ATOM 0 HG12 VAL A 30 -5.362 -0.956 -4.361 1.00 42.33 H new ATOM 0 HG13 VAL A 30 -6.182 0.614 -4.526 1.00 42.33 H new ATOM 0 HG21 VAL A 30 -7.723 0.419 -1.841 1.00 53.01 H new ATOM 0 HG22 VAL A 30 -8.531 0.913 -3.348 1.00 53.01 H new ATOM 0 HG23 VAL A 30 -9.167 -0.455 -2.404 1.00 53.01 H new ATOM 525 N GLN A 31 -6.528 -1.871 -6.602 1.00 40.32 N ATOM 526 CA GLN A 31 -5.503 -2.615 -7.345 1.00 55.52 C ATOM 527 C GLN A 31 -4.261 -2.739 -6.445 1.00 54.53 C ATOM 528 O GLN A 31 -3.692 -1.715 -6.054 1.00 4.13 O ATOM 529 CB GLN A 31 -5.116 -1.864 -8.650 1.00 51.20 C ATOM 530 CG GLN A 31 -6.288 -1.466 -9.564 1.00 65.31 C ATOM 531 CD GLN A 31 -5.822 -0.732 -10.828 1.00 22.32 C ATOM 532 OE1 GLN A 31 -5.621 -1.339 -11.879 1.00 74.10 O ATOM 533 NE2 GLN A 31 -5.587 0.567 -10.719 1.00 4.50 N ATOM 0 H GLN A 31 -6.659 -0.914 -6.929 1.00 40.32 H new ATOM 0 HA GLN A 31 -5.890 -3.597 -7.617 1.00 55.52 H new ATOM 0 HB2 GLN A 31 -4.568 -0.962 -8.379 1.00 51.20 H new ATOM 0 HB3 GLN A 31 -4.432 -2.493 -9.220 1.00 51.20 H new ATOM 0 HG2 GLN A 31 -6.842 -2.360 -9.850 1.00 65.31 H new ATOM 0 HG3 GLN A 31 -6.977 -0.828 -9.010 1.00 65.31 H new ATOM 0 HE21 GLN A 31 -5.763 1.045 -9.835 1.00 4.50 H new ATOM 0 HE22 GLN A 31 -5.230 1.090 -11.519 1.00 4.50 H new ATOM 542 N TYR A 32 -3.869 -3.970 -6.087 1.00 52.13 N ATOM 543 CA TYR A 32 -2.662 -4.202 -5.274 1.00 54.14 C ATOM 544 C TYR A 32 -2.080 -5.600 -5.543 1.00 61.33 C ATOM 545 O TYR A 32 -2.806 -6.517 -5.947 1.00 13.31 O ATOM 546 CB TYR A 32 -2.960 -3.988 -3.756 1.00 64.51 C ATOM 547 CG TYR A 32 -3.828 -5.069 -3.077 1.00 22.15 C ATOM 548 CD1 TYR A 32 -5.225 -5.033 -3.139 1.00 70.32 C ATOM 549 CD2 TYR A 32 -3.243 -6.120 -2.357 1.00 62.31 C ATOM 550 CE1 TYR A 32 -5.997 -6.002 -2.518 1.00 44.20 C ATOM 551 CE2 TYR A 32 -4.013 -7.085 -1.740 1.00 3.52 C ATOM 552 CZ TYR A 32 -5.380 -7.023 -1.820 1.00 61.53 C ATOM 553 OH TYR A 32 -6.136 -7.993 -1.203 1.00 31.15 O ATOM 0 H TYR A 32 -4.368 -4.821 -6.346 1.00 52.13 H new ATOM 0 HA TYR A 32 -1.909 -3.470 -5.566 1.00 54.14 H new ATOM 0 HB2 TYR A 32 -2.010 -3.927 -3.225 1.00 64.51 H new ATOM 0 HB3 TYR A 32 -3.455 -3.024 -3.636 1.00 64.51 H new ATOM 0 HD1 TYR A 32 -5.711 -4.235 -3.681 1.00 70.32 H new ATOM 0 HD2 TYR A 32 -2.167 -6.176 -2.284 1.00 62.31 H new ATOM 0 HE1 TYR A 32 -7.074 -5.960 -2.579 1.00 44.20 H new ATOM 0 HE2 TYR A 32 -3.539 -7.888 -1.195 1.00 3.52 H new ATOM 0 HH TYR A 32 -5.564 -8.753 -0.968 1.00 31.15 H new ATOM 563 N THR A 33 -0.759 -5.733 -5.333 1.00 42.13 N ATOM 564 CA THR A 33 -0.042 -7.013 -5.420 1.00 71.43 C ATOM 565 C THR A 33 1.095 -7.012 -4.378 1.00 14.55 C ATOM 566 O THR A 33 2.059 -6.256 -4.504 1.00 23.53 O ATOM 567 CB THR A 33 0.554 -7.248 -6.860 1.00 65.52 C ATOM 568 OG1 THR A 33 -0.492 -7.166 -7.848 1.00 61.21 O ATOM 569 CG2 THR A 33 1.269 -8.612 -6.984 1.00 75.05 C ATOM 0 H THR A 33 -0.155 -4.946 -5.096 1.00 42.13 H new ATOM 0 HA THR A 33 -0.745 -7.822 -5.220 1.00 71.43 H new ATOM 0 HB THR A 33 1.294 -6.466 -7.031 1.00 65.52 H new ATOM 0 HG1 THR A 33 -0.112 -7.312 -8.740 1.00 61.21 H new ATOM 0 HG21 THR A 33 1.662 -8.726 -7.994 1.00 75.05 H new ATOM 0 HG22 THR A 33 2.089 -8.659 -6.268 1.00 75.05 H new ATOM 0 HG23 THR A 33 0.561 -9.414 -6.777 1.00 75.05 H new ATOM 577 N GLU A 34 0.958 -7.855 -3.348 1.00 41.21 N ATOM 578 CA GLU A 34 1.982 -8.039 -2.306 1.00 43.51 C ATOM 579 C GLU A 34 2.949 -9.162 -2.740 1.00 53.21 C ATOM 580 O GLU A 34 2.502 -10.247 -3.128 1.00 14.44 O ATOM 581 CB GLU A 34 1.291 -8.403 -0.971 1.00 24.11 C ATOM 582 CG GLU A 34 2.249 -8.594 0.225 1.00 51.43 C ATOM 583 CD GLU A 34 1.590 -9.357 1.382 1.00 31.22 C ATOM 584 OE1 GLU A 34 1.584 -10.601 1.345 1.00 51.00 O ATOM 585 OE2 GLU A 34 1.086 -8.729 2.325 1.00 41.21 O ATOM 0 H GLU A 34 0.129 -8.434 -3.211 1.00 41.21 H new ATOM 0 HA GLU A 34 2.549 -7.118 -2.168 1.00 43.51 H new ATOM 0 HB2 GLU A 34 0.575 -7.619 -0.723 1.00 24.11 H new ATOM 0 HB3 GLU A 34 0.721 -9.322 -1.112 1.00 24.11 H new ATOM 0 HG2 GLU A 34 3.136 -9.135 -0.105 1.00 51.43 H new ATOM 0 HG3 GLU A 34 2.583 -7.619 0.579 1.00 51.43 H new ATOM 592 N THR A 35 4.259 -8.890 -2.686 1.00 2.33 N ATOM 593 CA THR A 35 5.306 -9.828 -3.125 1.00 41.12 C ATOM 594 C THR A 35 6.460 -9.838 -2.103 1.00 41.54 C ATOM 595 O THR A 35 7.066 -8.803 -1.855 1.00 60.21 O ATOM 596 CB THR A 35 5.852 -9.411 -4.540 1.00 44.30 C ATOM 597 OG1 THR A 35 4.768 -9.349 -5.486 1.00 20.33 O ATOM 598 CG2 THR A 35 6.929 -10.378 -5.063 1.00 72.05 C ATOM 0 H THR A 35 4.627 -8.006 -2.334 1.00 2.33 H new ATOM 0 HA THR A 35 4.877 -10.827 -3.194 1.00 41.12 H new ATOM 0 HB THR A 35 6.314 -8.430 -4.428 1.00 44.30 H new ATOM 0 HG1 THR A 35 5.115 -9.087 -6.364 1.00 20.33 H new ATOM 0 HG21 THR A 35 7.272 -10.045 -6.042 1.00 72.05 H new ATOM 0 HG22 THR A 35 7.770 -10.395 -4.370 1.00 72.05 H new ATOM 0 HG23 THR A 35 6.508 -11.380 -5.147 1.00 72.05 H new ATOM 606 N THR A 36 6.747 -10.999 -1.493 1.00 23.32 N ATOM 607 CA THR A 36 7.921 -11.144 -0.627 1.00 22.34 C ATOM 608 C THR A 36 9.176 -11.316 -1.513 1.00 13.21 C ATOM 609 O THR A 36 9.308 -12.313 -2.227 1.00 43.32 O ATOM 610 CB THR A 36 7.767 -12.341 0.374 1.00 35.33 C ATOM 611 OG1 THR A 36 6.501 -12.241 1.046 1.00 72.01 O ATOM 612 CG2 THR A 36 8.898 -12.361 1.426 1.00 34.31 C ATOM 0 H THR A 36 6.184 -11.845 -1.584 1.00 23.32 H new ATOM 0 HA THR A 36 8.022 -10.245 -0.018 1.00 22.34 H new ATOM 0 HB THR A 36 7.824 -13.265 -0.201 1.00 35.33 H new ATOM 0 HG1 THR A 36 6.402 -12.989 1.671 1.00 72.01 H new ATOM 0 HG21 THR A 36 8.753 -13.206 2.100 1.00 34.31 H new ATOM 0 HG22 THR A 36 9.860 -12.458 0.924 1.00 34.31 H new ATOM 0 HG23 THR A 36 8.879 -11.433 1.998 1.00 34.31 H new ATOM 620 N ARG A 37 10.046 -10.296 -1.512 1.00 70.34 N ATOM 621 CA ARG A 37 11.315 -10.289 -2.251 1.00 51.52 C ATOM 622 C ARG A 37 12.456 -9.927 -1.268 1.00 53.22 C ATOM 623 O ARG A 37 12.374 -8.905 -0.580 1.00 3.10 O ATOM 624 CB ARG A 37 11.232 -9.263 -3.429 1.00 13.04 C ATOM 625 CG ARG A 37 12.379 -9.341 -4.482 1.00 62.34 C ATOM 626 CD ARG A 37 12.162 -10.403 -5.581 1.00 31.41 C ATOM 627 NE ARG A 37 12.022 -11.781 -5.054 1.00 44.34 N ATOM 628 CZ ARG A 37 10.900 -12.528 -5.115 1.00 0.24 C ATOM 629 NH1 ARG A 37 9.790 -12.045 -5.680 1.00 72.20 N ATOM 630 NH2 ARG A 37 10.896 -13.753 -4.602 1.00 10.02 N ATOM 0 H ARG A 37 9.883 -9.437 -0.987 1.00 70.34 H new ATOM 0 HA ARG A 37 11.515 -11.271 -2.678 1.00 51.52 H new ATOM 0 HB2 ARG A 37 10.282 -9.406 -3.944 1.00 13.04 H new ATOM 0 HB3 ARG A 37 11.218 -8.257 -3.009 1.00 13.04 H new ATOM 0 HG2 ARG A 37 12.490 -8.365 -4.954 1.00 62.34 H new ATOM 0 HG3 ARG A 37 13.315 -9.555 -3.967 1.00 62.34 H new ATOM 0 HD2 ARG A 37 11.268 -10.148 -6.150 1.00 31.41 H new ATOM 0 HD3 ARG A 37 13.001 -10.372 -6.276 1.00 31.41 H new ATOM 0 HE ARG A 37 12.840 -12.198 -4.609 1.00 44.34 H new ATOM 0 HH11 ARG A 37 9.785 -11.103 -6.071 1.00 72.20 H new ATOM 0 HH12 ARG A 37 8.947 -12.618 -5.721 1.00 72.20 H new ATOM 0 HH21 ARG A 37 11.739 -14.125 -4.164 1.00 10.02 H new ATOM 0 HH22 ARG A 37 10.050 -14.321 -4.646 1.00 10.02 H new ATOM 644 N ASN A 38 13.488 -10.807 -1.199 1.00 31.21 N ATOM 645 CA ASN A 38 14.681 -10.666 -0.304 1.00 40.41 C ATOM 646 C ASN A 38 14.318 -10.843 1.186 1.00 71.13 C ATOM 647 O ASN A 38 15.080 -10.444 2.075 1.00 10.32 O ATOM 648 CB ASN A 38 15.443 -9.324 -0.543 1.00 24.14 C ATOM 649 CG ASN A 38 15.971 -9.183 -1.970 1.00 65.32 C ATOM 650 OD1 ASN A 38 17.075 -9.629 -2.289 1.00 73.31 O ATOM 651 ND2 ASN A 38 15.196 -8.557 -2.838 1.00 22.20 N ATOM 0 H ASN A 38 13.521 -11.651 -1.771 1.00 31.21 H new ATOM 0 HA ASN A 38 15.358 -11.477 -0.572 1.00 40.41 H new ATOM 0 HB2 ASN A 38 14.776 -8.490 -0.324 1.00 24.14 H new ATOM 0 HB3 ASN A 38 16.277 -9.257 0.155 1.00 24.14 H new ATOM 0 HD21 ASN A 38 15.507 -8.432 -3.802 1.00 22.20 H new ATOM 0 HD22 ASN A 38 14.287 -8.199 -2.545 1.00 22.20 H new ATOM 658 N GLY A 39 13.164 -11.487 1.446 1.00 54.05 N ATOM 659 CA GLY A 39 12.667 -11.724 2.808 1.00 10.33 C ATOM 660 C GLY A 39 11.719 -10.631 3.290 1.00 43.24 C ATOM 661 O GLY A 39 10.862 -10.891 4.141 1.00 45.33 O ATOM 0 H GLY A 39 12.554 -11.856 0.717 1.00 54.05 H new ATOM 0 HA2 GLY A 39 12.153 -12.685 2.840 1.00 10.33 H new ATOM 0 HA3 GLY A 39 13.513 -11.792 3.492 1.00 10.33 H new ATOM 665 N ARG A 40 11.858 -9.408 2.735 1.00 12.40 N ATOM 666 CA ARG A 40 10.897 -8.311 2.962 1.00 23.21 C ATOM 667 C ARG A 40 9.699 -8.509 2.026 1.00 53.33 C ATOM 668 O ARG A 40 9.867 -9.019 0.922 1.00 23.33 O ATOM 669 CB ARG A 40 11.507 -6.921 2.633 1.00 70.20 C ATOM 670 CG ARG A 40 12.737 -6.500 3.452 1.00 42.13 C ATOM 671 CD ARG A 40 13.180 -5.071 3.091 1.00 21.14 C ATOM 672 NE ARG A 40 14.390 -4.630 3.805 1.00 35.02 N ATOM 673 CZ ARG A 40 14.927 -3.402 3.691 1.00 0.14 C ATOM 674 NH1 ARG A 40 14.358 -2.480 2.908 1.00 20.21 N ATOM 675 NH2 ARG A 40 16.040 -3.100 4.344 1.00 73.52 N ATOM 0 H ARG A 40 12.633 -9.156 2.122 1.00 12.40 H new ATOM 0 HA ARG A 40 10.614 -8.335 4.014 1.00 23.21 H new ATOM 0 HB2 ARG A 40 11.780 -6.909 1.578 1.00 70.20 H new ATOM 0 HB3 ARG A 40 10.732 -6.167 2.770 1.00 70.20 H new ATOM 0 HG2 ARG A 40 12.506 -6.555 4.516 1.00 42.13 H new ATOM 0 HG3 ARG A 40 13.556 -7.195 3.268 1.00 42.13 H new ATOM 0 HD2 ARG A 40 13.362 -5.016 2.018 1.00 21.14 H new ATOM 0 HD3 ARG A 40 12.366 -4.381 3.312 1.00 21.14 H new ATOM 0 HE ARG A 40 14.850 -5.297 4.425 1.00 35.02 H new ATOM 0 HH11 ARG A 40 13.509 -2.705 2.390 1.00 20.21 H new ATOM 0 HH12 ARG A 40 14.773 -1.552 2.829 1.00 20.21 H new ATOM 0 HH21 ARG A 40 16.491 -3.799 4.934 1.00 73.52 H new ATOM 0 HH22 ARG A 40 16.446 -2.168 4.256 1.00 73.52 H new ATOM 689 N ARG A 41 8.501 -8.099 2.451 1.00 22.50 N ATOM 690 CA ARG A 41 7.362 -7.963 1.531 1.00 4.40 C ATOM 691 C ARG A 41 7.390 -6.553 0.897 1.00 73.13 C ATOM 692 O ARG A 41 7.928 -5.599 1.486 1.00 12.02 O ATOM 693 CB ARG A 41 6.010 -8.194 2.258 1.00 0.43 C ATOM 694 CG ARG A 41 5.817 -9.588 2.885 1.00 21.23 C ATOM 695 CD ARG A 41 4.439 -9.730 3.569 1.00 12.43 C ATOM 696 NE ARG A 41 4.181 -11.094 4.059 1.00 22.32 N ATOM 697 CZ ARG A 41 2.975 -11.574 4.419 1.00 75.44 C ATOM 698 NH1 ARG A 41 1.873 -10.818 4.341 1.00 43.04 N ATOM 699 NH2 ARG A 41 2.884 -12.808 4.894 1.00 32.35 N ATOM 0 H ARG A 41 8.292 -7.856 3.419 1.00 22.50 H new ATOM 0 HA ARG A 41 7.451 -8.724 0.755 1.00 4.40 H new ATOM 0 HB2 ARG A 41 5.909 -7.445 3.044 1.00 0.43 H new ATOM 0 HB3 ARG A 41 5.202 -8.021 1.547 1.00 0.43 H new ATOM 0 HG2 ARG A 41 5.918 -10.350 2.112 1.00 21.23 H new ATOM 0 HG3 ARG A 41 6.605 -9.769 3.616 1.00 21.23 H new ATOM 0 HD2 ARG A 41 4.380 -9.032 4.404 1.00 12.43 H new ATOM 0 HD3 ARG A 41 3.658 -9.449 2.863 1.00 12.43 H new ATOM 0 HE ARG A 41 4.979 -11.726 4.132 1.00 22.32 H new ATOM 0 HH11 ARG A 41 1.936 -9.858 4.003 1.00 43.04 H new ATOM 0 HH12 ARG A 41 0.970 -11.202 4.619 1.00 43.04 H new ATOM 0 HH21 ARG A 41 3.722 -13.383 4.984 1.00 32.35 H new ATOM 0 HH22 ARG A 41 1.976 -13.183 5.170 1.00 32.35 H new ATOM 713 N GLN A 42 6.829 -6.447 -0.310 1.00 32.54 N ATOM 714 CA GLN A 42 6.578 -5.178 -0.991 1.00 25.14 C ATOM 715 C GLN A 42 5.122 -5.194 -1.465 1.00 44.33 C ATOM 716 O GLN A 42 4.740 -6.027 -2.287 1.00 12.43 O ATOM 717 CB GLN A 42 7.578 -4.951 -2.177 1.00 4.22 C ATOM 718 CG GLN A 42 7.654 -6.088 -3.224 1.00 62.10 C ATOM 719 CD GLN A 42 8.595 -5.792 -4.392 1.00 31.10 C ATOM 720 OE1 GLN A 42 9.785 -6.095 -4.340 1.00 62.00 O ATOM 721 NE2 GLN A 42 8.064 -5.196 -5.450 1.00 61.12 N ATOM 0 H GLN A 42 6.531 -7.259 -0.851 1.00 32.54 H new ATOM 0 HA GLN A 42 6.739 -4.344 -0.308 1.00 25.14 H new ATOM 0 HB2 GLN A 42 7.301 -4.030 -2.689 1.00 4.22 H new ATOM 0 HB3 GLN A 42 8.574 -4.798 -1.762 1.00 4.22 H new ATOM 0 HG2 GLN A 42 7.981 -7.003 -2.730 1.00 62.10 H new ATOM 0 HG3 GLN A 42 6.654 -6.277 -3.615 1.00 62.10 H new ATOM 0 HE21 GLN A 42 7.072 -4.959 -5.458 1.00 61.12 H new ATOM 0 HE22 GLN A 42 8.647 -4.974 -6.257 1.00 61.12 H new ATOM 730 N LEU A 43 4.292 -4.296 -0.924 1.00 2.32 N ATOM 731 CA LEU A 43 2.870 -4.228 -1.291 1.00 42.33 C ATOM 732 C LEU A 43 2.737 -3.091 -2.305 1.00 64.25 C ATOM 733 O LEU A 43 2.871 -1.917 -1.960 1.00 22.25 O ATOM 734 CB LEU A 43 1.990 -4.014 -0.017 1.00 62.01 C ATOM 735 CG LEU A 43 0.533 -4.592 -0.033 1.00 1.33 C ATOM 736 CD1 LEU A 43 -0.153 -4.423 1.345 1.00 44.13 C ATOM 737 CD2 LEU A 43 -0.328 -3.976 -1.153 1.00 30.24 C ATOM 0 H LEU A 43 4.579 -3.605 -0.230 1.00 2.32 H new ATOM 0 HA LEU A 43 2.517 -5.157 -1.738 1.00 42.33 H new ATOM 0 HB2 LEU A 43 2.516 -4.453 0.831 1.00 62.01 H new ATOM 0 HB3 LEU A 43 1.924 -2.942 0.169 1.00 62.01 H new ATOM 0 HG LEU A 43 0.621 -5.658 -0.244 1.00 1.33 H new ATOM 0 HD11 LEU A 43 -1.162 -4.833 1.302 1.00 44.13 H new ATOM 0 HD12 LEU A 43 0.422 -4.952 2.105 1.00 44.13 H new ATOM 0 HD13 LEU A 43 -0.203 -3.364 1.599 1.00 44.13 H new ATOM 0 HD21 LEU A 43 -1.328 -4.408 -1.123 1.00 30.24 H new ATOM 0 HD22 LEU A 43 -0.394 -2.898 -1.009 1.00 30.24 H new ATOM 0 HD23 LEU A 43 0.129 -4.186 -2.120 1.00 30.24 H new ATOM 749 N THR A 44 2.505 -3.477 -3.558 1.00 0.24 N ATOM 750 CA THR A 44 2.467 -2.578 -4.707 1.00 41.11 C ATOM 751 C THR A 44 1.013 -2.154 -4.973 1.00 24.45 C ATOM 752 O THR A 44 0.219 -2.935 -5.496 1.00 4.14 O ATOM 753 CB THR A 44 3.089 -3.321 -5.943 1.00 55.00 C ATOM 754 OG1 THR A 44 4.440 -3.717 -5.621 1.00 54.54 O ATOM 755 CG2 THR A 44 3.100 -2.461 -7.222 1.00 64.22 C ATOM 0 H THR A 44 2.334 -4.451 -3.808 1.00 0.24 H new ATOM 0 HA THR A 44 3.048 -1.676 -4.515 1.00 41.11 H new ATOM 0 HB THR A 44 2.462 -4.189 -6.149 1.00 55.00 H new ATOM 0 HG1 THR A 44 4.836 -4.183 -6.387 1.00 54.54 H new ATOM 0 HG21 THR A 44 3.542 -3.031 -8.040 1.00 64.22 H new ATOM 0 HG22 THR A 44 2.079 -2.184 -7.483 1.00 64.22 H new ATOM 0 HG23 THR A 44 3.687 -1.559 -7.049 1.00 64.22 H new ATOM 763 N ILE A 45 0.681 -0.916 -4.588 1.00 11.32 N ATOM 764 CA ILE A 45 -0.672 -0.347 -4.716 1.00 50.43 C ATOM 765 C ILE A 45 -0.708 0.541 -5.964 1.00 73.33 C ATOM 766 O ILE A 45 0.161 1.392 -6.136 1.00 1.53 O ATOM 767 CB ILE A 45 -1.049 0.516 -3.452 1.00 64.43 C ATOM 768 CG1 ILE A 45 -0.923 -0.337 -2.149 1.00 33.32 C ATOM 769 CG2 ILE A 45 -2.465 1.132 -3.596 1.00 35.42 C ATOM 770 CD1 ILE A 45 -1.158 0.427 -0.857 1.00 42.10 C ATOM 0 H ILE A 45 1.352 -0.270 -4.173 1.00 11.32 H new ATOM 0 HA ILE A 45 -1.392 -1.161 -4.798 1.00 50.43 H new ATOM 0 HB ILE A 45 -0.344 1.344 -3.380 1.00 64.43 H new ATOM 0 HG12 ILE A 45 -1.635 -1.160 -2.201 1.00 33.32 H new ATOM 0 HG13 ILE A 45 0.073 -0.779 -2.117 1.00 33.32 H new ATOM 0 HG21 ILE A 45 -2.697 1.722 -2.709 1.00 35.42 H new ATOM 0 HG22 ILE A 45 -2.495 1.774 -4.477 1.00 35.42 H new ATOM 0 HG23 ILE A 45 -3.200 0.334 -3.704 1.00 35.42 H new ATOM 0 HD11 ILE A 45 -1.049 -0.249 -0.009 1.00 42.10 H new ATOM 0 HD12 ILE A 45 -0.430 1.234 -0.774 1.00 42.10 H new ATOM 0 HD13 ILE A 45 -2.164 0.846 -0.860 1.00 42.10 H new ATOM 782 N ARG A 46 -1.696 0.329 -6.840 1.00 42.11 N ATOM 783 CA ARG A 46 -1.856 1.110 -8.075 1.00 71.34 C ATOM 784 C ARG A 46 -3.210 1.830 -8.038 1.00 23.34 C ATOM 785 O ARG A 46 -4.245 1.212 -7.752 1.00 44.45 O ATOM 786 CB ARG A 46 -1.761 0.183 -9.312 1.00 43.22 C ATOM 787 CG ARG A 46 -0.451 -0.639 -9.397 1.00 33.33 C ATOM 788 CD ARG A 46 -0.412 -1.542 -10.637 1.00 11.31 C ATOM 789 NE ARG A 46 0.724 -2.476 -10.627 1.00 44.44 N ATOM 790 CZ ARG A 46 0.811 -3.574 -11.401 1.00 23.23 C ATOM 791 NH1 ARG A 46 -0.165 -3.886 -12.258 1.00 61.45 N ATOM 792 NH2 ARG A 46 1.865 -4.369 -11.297 1.00 0.31 N ATOM 0 H ARG A 46 -2.409 -0.389 -6.714 1.00 42.11 H new ATOM 0 HA ARG A 46 -1.058 1.849 -8.148 1.00 71.34 H new ATOM 0 HB2 ARG A 46 -2.607 -0.504 -9.301 1.00 43.22 H new ATOM 0 HB3 ARG A 46 -1.854 0.789 -10.213 1.00 43.22 H new ATOM 0 HG2 ARG A 46 0.401 0.040 -9.417 1.00 33.33 H new ATOM 0 HG3 ARG A 46 -0.349 -1.251 -8.501 1.00 33.33 H new ATOM 0 HD2 ARG A 46 -1.341 -2.108 -10.698 1.00 11.31 H new ATOM 0 HD3 ARG A 46 -0.358 -0.921 -11.531 1.00 11.31 H new ATOM 0 HE ARG A 46 1.497 -2.279 -9.992 1.00 44.44 H new ATOM 0 HH11 ARG A 46 -0.989 -3.289 -12.332 1.00 61.45 H new ATOM 0 HH12 ARG A 46 -0.086 -4.721 -12.839 1.00 61.45 H new ATOM 0 HH21 ARG A 46 2.607 -4.148 -10.632 1.00 0.31 H new ATOM 0 HH22 ARG A 46 1.935 -5.202 -11.881 1.00 0.31 H new ATOM 806 N SER A 47 -3.181 3.133 -8.315 1.00 32.02 N ATOM 807 CA SER A 47 -4.364 3.992 -8.343 1.00 43.01 C ATOM 808 C SER A 47 -4.108 5.137 -9.337 1.00 25.12 C ATOM 809 O SER A 47 -3.121 5.860 -9.214 1.00 44.14 O ATOM 810 CB SER A 47 -4.663 4.503 -6.907 1.00 72.24 C ATOM 811 OG SER A 47 -3.468 4.876 -6.233 1.00 11.53 O ATOM 0 H SER A 47 -2.317 3.631 -8.531 1.00 32.02 H new ATOM 0 HA SER A 47 -5.245 3.445 -8.678 1.00 43.01 H new ATOM 0 HB2 SER A 47 -5.338 5.358 -6.956 1.00 72.24 H new ATOM 0 HB3 SER A 47 -5.175 3.725 -6.341 1.00 72.24 H new ATOM 0 HG SER A 47 -3.516 4.588 -5.298 1.00 11.53 H new ATOM 817 N ASN A 48 -5.015 5.285 -10.317 1.00 52.31 N ATOM 818 CA ASN A 48 -4.833 6.194 -11.478 1.00 0.21 C ATOM 819 C ASN A 48 -5.580 7.526 -11.277 1.00 24.02 C ATOM 820 O ASN A 48 -5.549 8.404 -12.148 1.00 71.01 O ATOM 821 CB ASN A 48 -5.302 5.469 -12.769 1.00 24.55 C ATOM 822 CG ASN A 48 -4.549 4.154 -13.031 1.00 72.54 C ATOM 823 OD1 ASN A 48 -3.343 4.044 -12.787 1.00 53.20 O ATOM 824 ND2 ASN A 48 -5.259 3.133 -13.500 1.00 4.53 N ATOM 0 H ASN A 48 -5.901 4.779 -10.333 1.00 52.31 H new ATOM 0 HA ASN A 48 -3.776 6.443 -11.572 1.00 0.21 H new ATOM 0 HB2 ASN A 48 -6.369 5.261 -12.694 1.00 24.55 H new ATOM 0 HB3 ASN A 48 -5.166 6.134 -13.622 1.00 24.55 H new ATOM 0 HD21 ASN A 48 -4.809 2.233 -13.666 1.00 4.53 H new ATOM 0 HD22 ASN A 48 -6.254 3.250 -13.693 1.00 4.53 H new ATOM 831 N ASP A 49 -6.244 7.660 -10.122 1.00 23.51 N ATOM 832 CA ASP A 49 -6.939 8.892 -9.698 1.00 54.31 C ATOM 833 C ASP A 49 -6.091 9.592 -8.619 1.00 63.53 C ATOM 834 O ASP A 49 -5.605 8.924 -7.702 1.00 25.41 O ATOM 835 CB ASP A 49 -8.347 8.513 -9.159 1.00 54.11 C ATOM 836 CG ASP A 49 -9.203 9.720 -8.741 1.00 35.42 C ATOM 837 OD1 ASP A 49 -9.941 10.257 -9.590 1.00 75.32 O ATOM 838 OD2 ASP A 49 -9.150 10.121 -7.563 1.00 14.43 O ATOM 0 H ASP A 49 -6.317 6.904 -9.441 1.00 23.51 H new ATOM 0 HA ASP A 49 -7.066 9.579 -10.535 1.00 54.31 H new ATOM 0 HB2 ASP A 49 -8.879 7.952 -9.927 1.00 54.11 H new ATOM 0 HB3 ASP A 49 -8.230 7.849 -8.302 1.00 54.11 H new ATOM 843 N LYS A 50 -5.917 10.929 -8.731 1.00 61.15 N ATOM 844 CA LYS A 50 -5.043 11.708 -7.816 1.00 74.34 C ATOM 845 C LYS A 50 -5.623 11.804 -6.396 1.00 32.55 C ATOM 846 O LYS A 50 -4.864 11.807 -5.416 1.00 43.12 O ATOM 847 CB LYS A 50 -4.745 13.135 -8.372 1.00 63.44 C ATOM 848 CG LYS A 50 -3.877 13.177 -9.653 1.00 72.44 C ATOM 849 CD LYS A 50 -2.542 12.407 -9.515 1.00 72.24 C ATOM 850 CE LYS A 50 -1.621 12.918 -8.383 1.00 74.30 C ATOM 851 NZ LYS A 50 -1.203 14.333 -8.571 1.00 24.41 N ATOM 0 H LYS A 50 -6.371 11.495 -9.448 1.00 61.15 H new ATOM 0 HA LYS A 50 -4.103 11.159 -7.758 1.00 74.34 H new ATOM 0 HB2 LYS A 50 -5.693 13.632 -8.579 1.00 63.44 H new ATOM 0 HB3 LYS A 50 -4.245 13.713 -7.595 1.00 63.44 H new ATOM 0 HG2 LYS A 50 -4.446 12.757 -10.483 1.00 72.44 H new ATOM 0 HG3 LYS A 50 -3.665 14.216 -9.905 1.00 72.44 H new ATOM 0 HD2 LYS A 50 -2.761 11.354 -9.340 1.00 72.24 H new ATOM 0 HD3 LYS A 50 -2.003 12.468 -10.460 1.00 72.24 H new ATOM 0 HE2 LYS A 50 -2.139 12.821 -7.429 1.00 74.30 H new ATOM 0 HE3 LYS A 50 -0.734 12.286 -8.330 1.00 74.30 H new ATOM 0 HZ1 LYS A 50 -0.588 14.621 -7.783 1.00 24.41 H new ATOM 0 HZ2 LYS A 50 -0.684 14.425 -9.467 1.00 24.41 H new ATOM 0 HZ3 LYS A 50 -2.045 14.943 -8.594 1.00 24.41 H new ATOM 865 N ASN A 51 -6.960 11.884 -6.291 1.00 64.20 N ATOM 866 CA ASN A 51 -7.655 11.937 -4.989 1.00 23.42 C ATOM 867 C ASN A 51 -7.528 10.575 -4.284 1.00 11.24 C ATOM 868 O ASN A 51 -7.405 10.512 -3.061 1.00 15.41 O ATOM 869 CB ASN A 51 -9.156 12.320 -5.170 1.00 11.32 C ATOM 870 CG ASN A 51 -9.375 13.661 -5.887 1.00 0.02 C ATOM 871 OD1 ASN A 51 -8.570 14.590 -5.777 1.00 13.31 O ATOM 872 ND2 ASN A 51 -10.465 13.774 -6.632 1.00 53.40 N ATOM 0 H ASN A 51 -7.586 11.914 -7.096 1.00 64.20 H new ATOM 0 HA ASN A 51 -7.189 12.707 -4.374 1.00 23.42 H new ATOM 0 HB2 ASN A 51 -9.656 11.532 -5.733 1.00 11.32 H new ATOM 0 HB3 ASN A 51 -9.631 12.362 -4.190 1.00 11.32 H new ATOM 0 HD21 ASN A 51 -10.654 14.643 -7.131 1.00 53.40 H new ATOM 0 HD22 ASN A 51 -11.115 12.992 -6.707 1.00 53.40 H new ATOM 879 N GLU A 52 -7.516 9.490 -5.090 1.00 40.25 N ATOM 880 CA GLU A 52 -7.501 8.114 -4.572 1.00 32.22 C ATOM 881 C GLU A 52 -6.091 7.700 -4.107 1.00 42.43 C ATOM 882 O GLU A 52 -5.946 7.140 -3.019 1.00 4.24 O ATOM 883 CB GLU A 52 -8.034 7.114 -5.630 1.00 14.31 C ATOM 884 CG GLU A 52 -8.496 5.760 -5.041 1.00 11.52 C ATOM 885 CD GLU A 52 -9.756 5.894 -4.155 1.00 33.03 C ATOM 886 OE1 GLU A 52 -10.885 5.837 -4.704 1.00 12.22 O ATOM 887 OE2 GLU A 52 -9.630 6.085 -2.922 1.00 45.20 O ATOM 0 H GLU A 52 -7.516 9.548 -6.108 1.00 40.25 H new ATOM 0 HA GLU A 52 -8.163 8.088 -3.707 1.00 32.22 H new ATOM 0 HB2 GLU A 52 -8.870 7.572 -6.159 1.00 14.31 H new ATOM 0 HB3 GLU A 52 -7.252 6.930 -6.367 1.00 14.31 H new ATOM 0 HG2 GLU A 52 -8.702 5.065 -5.855 1.00 11.52 H new ATOM 0 HG3 GLU A 52 -7.686 5.330 -4.452 1.00 11.52 H new ATOM 894 N VAL A 53 -5.053 7.987 -4.935 1.00 71.40 N ATOM 895 CA VAL A 53 -3.646 7.662 -4.593 1.00 2.41 C ATOM 896 C VAL A 53 -3.217 8.394 -3.310 1.00 11.04 C ATOM 897 O VAL A 53 -2.492 7.847 -2.487 1.00 34.52 O ATOM 898 CB VAL A 53 -2.637 7.966 -5.781 1.00 44.04 C ATOM 899 CG1 VAL A 53 -2.572 9.465 -6.143 1.00 34.41 C ATOM 900 CG2 VAL A 53 -1.220 7.408 -5.481 1.00 32.03 C ATOM 0 H VAL A 53 -5.165 8.441 -5.841 1.00 71.40 H new ATOM 0 HA VAL A 53 -3.605 6.587 -4.418 1.00 2.41 H new ATOM 0 HB VAL A 53 -3.032 7.447 -6.654 1.00 44.04 H new ATOM 0 HG11 VAL A 53 -1.867 9.612 -6.961 1.00 34.41 H new ATOM 0 HG12 VAL A 53 -3.560 9.808 -6.450 1.00 34.41 H new ATOM 0 HG13 VAL A 53 -2.244 10.035 -5.274 1.00 34.41 H new ATOM 0 HG21 VAL A 53 -0.556 7.634 -6.315 1.00 32.03 H new ATOM 0 HG22 VAL A 53 -0.832 7.869 -4.573 1.00 32.03 H new ATOM 0 HG23 VAL A 53 -1.276 6.328 -5.344 1.00 32.03 H new ATOM 910 N ASP A 54 -3.736 9.617 -3.138 1.00 10.34 N ATOM 911 CA ASP A 54 -3.499 10.443 -1.949 1.00 34.11 C ATOM 912 C ASP A 54 -4.272 9.884 -0.730 1.00 12.44 C ATOM 913 O ASP A 54 -3.767 9.910 0.394 1.00 40.24 O ATOM 914 CB ASP A 54 -3.917 11.898 -2.262 1.00 14.33 C ATOM 915 CG ASP A 54 -3.633 12.882 -1.117 1.00 73.22 C ATOM 916 OD1 ASP A 54 -2.463 13.302 -0.965 1.00 50.44 O ATOM 917 OD2 ASP A 54 -4.569 13.252 -0.375 1.00 25.14 O ATOM 0 H ASP A 54 -4.339 10.065 -3.829 1.00 10.34 H new ATOM 0 HA ASP A 54 -2.440 10.424 -1.693 1.00 34.11 H new ATOM 0 HB2 ASP A 54 -3.391 12.233 -3.156 1.00 14.33 H new ATOM 0 HB3 ASP A 54 -4.982 11.919 -2.492 1.00 14.33 H new ATOM 922 N ARG A 55 -5.488 9.351 -0.989 1.00 43.11 N ATOM 923 CA ARG A 55 -6.392 8.804 0.051 1.00 22.10 C ATOM 924 C ARG A 55 -5.825 7.501 0.653 1.00 74.44 C ATOM 925 O ARG A 55 -6.024 7.209 1.836 1.00 75.15 O ATOM 926 CB ARG A 55 -7.803 8.526 -0.547 1.00 25.32 C ATOM 927 CG ARG A 55 -8.943 8.382 0.489 1.00 63.31 C ATOM 928 CD ARG A 55 -9.208 9.706 1.242 1.00 54.44 C ATOM 929 NE ARG A 55 -10.423 9.660 2.076 1.00 72.00 N ATOM 930 CZ ARG A 55 -11.680 9.815 1.622 1.00 63.34 C ATOM 931 NH1 ARG A 55 -11.924 10.016 0.327 1.00 31.41 N ATOM 932 NH2 ARG A 55 -12.691 9.805 2.479 1.00 20.14 N ATOM 0 H ARG A 55 -5.873 9.288 -1.931 1.00 43.11 H new ATOM 0 HA ARG A 55 -6.473 9.549 0.843 1.00 22.10 H new ATOM 0 HB2 ARG A 55 -8.056 9.336 -1.231 1.00 25.32 H new ATOM 0 HB3 ARG A 55 -7.755 7.612 -1.139 1.00 25.32 H new ATOM 0 HG2 ARG A 55 -9.855 8.063 -0.016 1.00 63.31 H new ATOM 0 HG3 ARG A 55 -8.686 7.602 1.206 1.00 63.31 H new ATOM 0 HD2 ARG A 55 -8.349 9.937 1.873 1.00 54.44 H new ATOM 0 HD3 ARG A 55 -9.300 10.517 0.519 1.00 54.44 H new ATOM 0 HE ARG A 55 -10.301 9.498 3.076 1.00 72.00 H new ATOM 0 HH11 ARG A 55 -11.151 10.054 -0.338 1.00 31.41 H new ATOM 0 HH12 ARG A 55 -12.883 10.131 0.001 1.00 31.41 H new ATOM 0 HH21 ARG A 55 -12.513 9.680 3.476 1.00 20.14 H new ATOM 0 HH22 ARG A 55 -13.647 9.922 2.142 1.00 20.14 H new ATOM 946 N ILE A 56 -5.143 6.716 -0.191 1.00 34.52 N ATOM 947 CA ILE A 56 -4.505 5.457 0.216 1.00 63.30 C ATOM 948 C ILE A 56 -3.121 5.753 0.837 1.00 25.11 C ATOM 949 O ILE A 56 -2.727 5.105 1.805 1.00 64.13 O ATOM 950 CB ILE A 56 -4.368 4.468 -1.007 1.00 25.45 C ATOM 951 CG1 ILE A 56 -5.760 4.220 -1.687 1.00 51.33 C ATOM 952 CG2 ILE A 56 -3.725 3.126 -0.570 1.00 65.24 C ATOM 953 CD1 ILE A 56 -5.696 3.476 -3.014 1.00 61.31 C ATOM 0 H ILE A 56 -5.018 6.937 -1.179 1.00 34.52 H new ATOM 0 HA ILE A 56 -5.134 4.972 0.962 1.00 63.30 H new ATOM 0 HB ILE A 56 -3.710 4.935 -1.740 1.00 25.45 H new ATOM 0 HG12 ILE A 56 -6.390 3.655 -0.999 1.00 51.33 H new ATOM 0 HG13 ILE A 56 -6.247 5.182 -1.848 1.00 51.33 H new ATOM 0 HG21 ILE A 56 -3.643 2.464 -1.432 1.00 65.24 H new ATOM 0 HG22 ILE A 56 -2.732 3.314 -0.161 1.00 65.24 H new ATOM 0 HG23 ILE A 56 -4.347 2.655 0.191 1.00 65.24 H new ATOM 0 HD11 ILE A 56 -6.704 3.350 -3.410 1.00 61.31 H new ATOM 0 HD12 ILE A 56 -5.097 4.047 -3.723 1.00 61.31 H new ATOM 0 HD13 ILE A 56 -5.242 2.497 -2.861 1.00 61.31 H new ATOM 965 N LEU A 57 -2.415 6.770 0.282 1.00 13.13 N ATOM 966 CA LEU A 57 -1.060 7.167 0.737 1.00 44.24 C ATOM 967 C LEU A 57 -1.071 7.664 2.189 1.00 40.22 C ATOM 968 O LEU A 57 -0.159 7.351 2.966 1.00 14.11 O ATOM 969 CB LEU A 57 -0.466 8.262 -0.183 1.00 32.25 C ATOM 970 CG LEU A 57 1.005 8.697 0.126 1.00 61.11 C ATOM 971 CD1 LEU A 57 2.010 7.552 -0.110 1.00 25.41 C ATOM 972 CD2 LEU A 57 1.385 9.956 -0.666 1.00 62.14 C ATOM 0 H LEU A 57 -2.768 7.335 -0.490 1.00 13.13 H new ATOM 0 HA LEU A 57 -0.434 6.277 0.684 1.00 44.24 H new ATOM 0 HB2 LEU A 57 -0.509 7.906 -1.212 1.00 32.25 H new ATOM 0 HB3 LEU A 57 -1.104 9.144 -0.123 1.00 32.25 H new ATOM 0 HG LEU A 57 1.055 8.943 1.187 1.00 61.11 H new ATOM 0 HD11 LEU A 57 3.018 7.900 0.117 1.00 25.41 H new ATOM 0 HD12 LEU A 57 1.762 6.711 0.537 1.00 25.41 H new ATOM 0 HD13 LEU A 57 1.962 7.235 -1.152 1.00 25.41 H new ATOM 0 HD21 LEU A 57 2.412 10.237 -0.433 1.00 62.14 H new ATOM 0 HD22 LEU A 57 1.298 9.754 -1.734 1.00 62.14 H new ATOM 0 HD23 LEU A 57 0.715 10.772 -0.395 1.00 62.14 H new ATOM 984 N GLU A 58 -2.102 8.445 2.549 1.00 41.04 N ATOM 985 CA GLU A 58 -2.286 8.895 3.930 1.00 13.55 C ATOM 986 C GLU A 58 -2.621 7.688 4.821 1.00 71.33 C ATOM 987 O GLU A 58 -1.991 7.498 5.856 1.00 35.25 O ATOM 988 CB GLU A 58 -3.389 9.988 4.028 1.00 62.24 C ATOM 989 CG GLU A 58 -4.788 9.559 3.530 1.00 73.03 C ATOM 990 CD GLU A 58 -5.884 10.607 3.764 1.00 74.33 C ATOM 991 OE1 GLU A 58 -6.213 10.863 4.941 1.00 2.33 O ATOM 992 OE2 GLU A 58 -6.433 11.168 2.786 1.00 64.21 O ATOM 0 H GLU A 58 -2.817 8.775 1.901 1.00 41.04 H new ATOM 0 HA GLU A 58 -1.357 9.347 4.278 1.00 13.55 H new ATOM 0 HB2 GLU A 58 -3.473 10.305 5.068 1.00 62.24 H new ATOM 0 HB3 GLU A 58 -3.068 10.858 3.455 1.00 62.24 H new ATOM 0 HG2 GLU A 58 -4.731 9.340 2.464 1.00 73.03 H new ATOM 0 HG3 GLU A 58 -5.072 8.633 4.031 1.00 73.03 H new ATOM 999 N GLU A 59 -3.543 6.830 4.330 1.00 62.20 N ATOM 1000 CA GLU A 59 -4.166 5.750 5.118 1.00 42.52 C ATOM 1001 C GLU A 59 -3.167 4.634 5.490 1.00 73.51 C ATOM 1002 O GLU A 59 -3.258 4.063 6.584 1.00 71.11 O ATOM 1003 CB GLU A 59 -5.382 5.159 4.345 1.00 44.42 C ATOM 1004 CG GLU A 59 -6.197 4.085 5.116 1.00 32.14 C ATOM 1005 CD GLU A 59 -6.896 4.622 6.387 1.00 65.02 C ATOM 1006 OE1 GLU A 59 -6.237 4.768 7.438 1.00 61.21 O ATOM 1007 OE2 GLU A 59 -8.119 4.884 6.341 1.00 32.05 O ATOM 0 H GLU A 59 -3.877 6.871 3.367 1.00 62.20 H new ATOM 0 HA GLU A 59 -4.509 6.189 6.055 1.00 42.52 H new ATOM 0 HB2 GLU A 59 -6.052 5.975 4.074 1.00 44.42 H new ATOM 0 HB3 GLU A 59 -5.022 4.720 3.414 1.00 44.42 H new ATOM 0 HG2 GLU A 59 -6.950 3.666 4.449 1.00 32.14 H new ATOM 0 HG3 GLU A 59 -5.531 3.269 5.397 1.00 32.14 H new ATOM 1014 N VAL A 60 -2.215 4.330 4.585 1.00 55.20 N ATOM 1015 CA VAL A 60 -1.165 3.325 4.847 1.00 22.51 C ATOM 1016 C VAL A 60 -0.252 3.784 5.998 1.00 1.12 C ATOM 1017 O VAL A 60 0.148 2.983 6.833 1.00 22.22 O ATOM 1018 CB VAL A 60 -0.320 2.963 3.556 1.00 75.00 C ATOM 1019 CG1 VAL A 60 0.232 4.207 2.844 1.00 50.22 C ATOM 1020 CG2 VAL A 60 0.826 1.975 3.881 1.00 44.45 C ATOM 0 H VAL A 60 -2.152 4.767 3.665 1.00 55.20 H new ATOM 0 HA VAL A 60 -1.673 2.408 5.145 1.00 22.51 H new ATOM 0 HB VAL A 60 -1.012 2.474 2.871 1.00 75.00 H new ATOM 0 HG11 VAL A 60 0.802 3.901 1.967 1.00 50.22 H new ATOM 0 HG12 VAL A 60 -0.595 4.846 2.534 1.00 50.22 H new ATOM 0 HG13 VAL A 60 0.881 4.758 3.525 1.00 50.22 H new ATOM 0 HG21 VAL A 60 1.382 1.751 2.971 1.00 44.45 H new ATOM 0 HG22 VAL A 60 1.496 2.423 4.615 1.00 44.45 H new ATOM 0 HG23 VAL A 60 0.408 1.054 4.287 1.00 44.45 H new ATOM 1030 N ARG A 61 0.006 5.096 6.047 1.00 33.11 N ATOM 1031 CA ARG A 61 0.808 5.736 7.100 1.00 42.33 C ATOM 1032 C ARG A 61 0.000 5.852 8.417 1.00 21.51 C ATOM 1033 O ARG A 61 0.560 5.681 9.505 1.00 1.23 O ATOM 1034 CB ARG A 61 1.271 7.124 6.586 1.00 22.32 C ATOM 1035 CG ARG A 61 2.276 7.058 5.402 1.00 1.11 C ATOM 1036 CD ARG A 61 2.378 8.379 4.619 1.00 60.33 C ATOM 1037 NE ARG A 61 2.685 9.536 5.479 1.00 74.52 N ATOM 1038 CZ ARG A 61 2.177 10.775 5.322 1.00 63.24 C ATOM 1039 NH1 ARG A 61 1.332 11.046 4.323 1.00 75.31 N ATOM 1040 NH2 ARG A 61 2.502 11.728 6.186 1.00 52.23 N ATOM 0 H ARG A 61 -0.340 5.753 5.348 1.00 33.11 H new ATOM 0 HA ARG A 61 1.683 5.127 7.325 1.00 42.33 H new ATOM 0 HB2 ARG A 61 0.396 7.695 6.275 1.00 22.32 H new ATOM 0 HB3 ARG A 61 1.731 7.670 7.410 1.00 22.32 H new ATOM 0 HG2 ARG A 61 3.262 6.793 5.785 1.00 1.11 H new ATOM 0 HG3 ARG A 61 1.974 6.262 4.721 1.00 1.11 H new ATOM 0 HD2 ARG A 61 3.152 8.284 3.857 1.00 60.33 H new ATOM 0 HD3 ARG A 61 1.438 8.560 4.098 1.00 60.33 H new ATOM 0 HE ARG A 61 3.332 9.388 6.253 1.00 74.52 H new ATOM 0 HH11 ARG A 61 1.064 10.311 3.668 1.00 75.31 H new ATOM 0 HH12 ARG A 61 0.955 11.988 4.215 1.00 75.31 H new ATOM 0 HH21 ARG A 61 3.131 11.520 6.961 1.00 52.23 H new ATOM 0 HH22 ARG A 61 2.122 12.668 6.075 1.00 52.23 H new ATOM 1054 N ARG A 62 -1.326 6.113 8.296 1.00 63.42 N ATOM 1055 CA ARG A 62 -2.235 6.278 9.458 1.00 23.35 C ATOM 1056 C ARG A 62 -2.412 4.948 10.199 1.00 21.44 C ATOM 1057 O ARG A 62 -2.407 4.910 11.432 1.00 51.11 O ATOM 1058 CB ARG A 62 -3.631 6.830 9.021 1.00 71.21 C ATOM 1059 CG ARG A 62 -3.615 8.252 8.415 1.00 14.30 C ATOM 1060 CD ARG A 62 -3.092 9.343 9.370 1.00 15.02 C ATOM 1061 NE ARG A 62 -4.013 9.604 10.500 1.00 22.52 N ATOM 1062 CZ ARG A 62 -4.308 10.824 11.004 1.00 24.05 C ATOM 1063 NH1 ARG A 62 -3.772 11.935 10.491 1.00 72.14 N ATOM 1064 NH2 ARG A 62 -5.144 10.927 12.030 1.00 62.14 N ATOM 0 H ARG A 62 -1.793 6.215 7.395 1.00 63.42 H new ATOM 0 HA ARG A 62 -1.776 7.004 10.129 1.00 23.35 H new ATOM 0 HB2 ARG A 62 -4.062 6.146 8.290 1.00 71.21 H new ATOM 0 HB3 ARG A 62 -4.292 6.829 9.888 1.00 71.21 H new ATOM 0 HG2 ARG A 62 -2.997 8.245 7.517 1.00 14.30 H new ATOM 0 HG3 ARG A 62 -4.626 8.513 8.103 1.00 14.30 H new ATOM 0 HD2 ARG A 62 -2.120 9.042 9.761 1.00 15.02 H new ATOM 0 HD3 ARG A 62 -2.939 10.266 8.811 1.00 15.02 H new ATOM 0 HE ARG A 62 -4.462 8.797 10.934 1.00 22.52 H new ATOM 0 HH11 ARG A 62 -3.126 11.873 9.704 1.00 72.14 H new ATOM 0 HH12 ARG A 62 -4.008 12.845 10.887 1.00 72.14 H new ATOM 0 HH21 ARG A 62 -5.561 10.088 12.435 1.00 62.14 H new ATOM 0 HH22 ARG A 62 -5.370 11.845 12.414 1.00 62.14 H new ATOM 1078 N LYS A 63 -2.567 3.856 9.427 1.00 22.44 N ATOM 1079 CA LYS A 63 -2.705 2.500 9.986 1.00 25.13 C ATOM 1080 C LYS A 63 -1.344 1.955 10.415 1.00 52.32 C ATOM 1081 O LYS A 63 -1.223 1.328 11.471 1.00 61.13 O ATOM 1082 CB LYS A 63 -3.372 1.532 8.955 1.00 32.15 C ATOM 1083 CG LYS A 63 -4.854 1.829 8.581 1.00 41.12 C ATOM 1084 CD LYS A 63 -5.892 1.573 9.722 1.00 34.10 C ATOM 1085 CE LYS A 63 -6.001 2.716 10.757 1.00 32.11 C ATOM 1086 NZ LYS A 63 -6.376 4.016 10.136 1.00 32.12 N ATOM 0 H LYS A 63 -2.600 3.889 8.408 1.00 22.44 H new ATOM 0 HA LYS A 63 -3.350 2.564 10.862 1.00 25.13 H new ATOM 0 HB2 LYS A 63 -2.780 1.547 8.040 1.00 32.15 H new ATOM 0 HB3 LYS A 63 -3.317 0.519 9.353 1.00 32.15 H new ATOM 0 HG2 LYS A 63 -4.931 2.870 8.268 1.00 41.12 H new ATOM 0 HG3 LYS A 63 -5.125 1.217 7.721 1.00 41.12 H new ATOM 0 HD2 LYS A 63 -6.872 1.410 9.274 1.00 34.10 H new ATOM 0 HD3 LYS A 63 -5.622 0.654 10.242 1.00 34.10 H new ATOM 0 HE2 LYS A 63 -6.743 2.450 11.510 1.00 32.11 H new ATOM 0 HE3 LYS A 63 -5.047 2.826 11.274 1.00 32.11 H new ATOM 0 HZ1 LYS A 63 -5.636 4.720 10.331 1.00 32.12 H new ATOM 0 HZ2 LYS A 63 -6.475 3.894 9.108 1.00 32.12 H new ATOM 0 HZ3 LYS A 63 -7.279 4.343 10.534 1.00 32.12 H new ATOM 1100 N VAL A 64 -0.319 2.203 9.580 1.00 43.35 N ATOM 1101 CA VAL A 64 1.027 1.644 9.769 1.00 1.44 C ATOM 1102 C VAL A 64 2.111 2.732 9.544 1.00 0.43 C ATOM 1103 O VAL A 64 2.457 3.059 8.399 1.00 70.12 O ATOM 1104 CB VAL A 64 1.282 0.408 8.820 1.00 52.40 C ATOM 1105 CG1 VAL A 64 2.722 -0.110 8.958 1.00 25.53 C ATOM 1106 CG2 VAL A 64 0.270 -0.737 9.084 1.00 53.35 C ATOM 0 H VAL A 64 -0.403 2.797 8.755 1.00 43.35 H new ATOM 0 HA VAL A 64 1.093 1.293 10.799 1.00 1.44 H new ATOM 0 HB VAL A 64 1.136 0.756 7.797 1.00 52.40 H new ATOM 0 HG11 VAL A 64 2.868 -0.961 8.293 1.00 25.53 H new ATOM 0 HG12 VAL A 64 3.421 0.683 8.692 1.00 25.53 H new ATOM 0 HG13 VAL A 64 2.900 -0.420 9.988 1.00 25.53 H new ATOM 0 HG21 VAL A 64 0.478 -1.569 8.411 1.00 53.35 H new ATOM 0 HG22 VAL A 64 0.362 -1.073 10.117 1.00 53.35 H new ATOM 0 HG23 VAL A 64 -0.743 -0.375 8.910 1.00 53.35 H new ATOM 1116 N PRO A 65 2.645 3.331 10.647 1.00 52.53 N ATOM 1117 CA PRO A 65 3.890 4.127 10.599 1.00 74.35 C ATOM 1118 C PRO A 65 5.151 3.224 10.692 1.00 41.04 C ATOM 1119 O PRO A 65 6.284 3.705 10.607 1.00 34.13 O ATOM 1120 CB PRO A 65 3.737 5.047 11.831 1.00 71.32 C ATOM 1121 CG PRO A 65 2.975 4.222 12.829 1.00 5.12 C ATOM 1122 CD PRO A 65 2.052 3.326 12.016 1.00 44.53 C ATOM 0 HA PRO A 65 4.026 4.676 9.667 1.00 74.35 H new ATOM 0 HB2 PRO A 65 4.708 5.347 12.224 1.00 71.32 H new ATOM 0 HB3 PRO A 65 3.199 5.961 11.579 1.00 71.32 H new ATOM 0 HG2 PRO A 65 3.653 3.629 13.443 1.00 5.12 H new ATOM 0 HG3 PRO A 65 2.405 4.858 13.506 1.00 5.12 H new ATOM 0 HD2 PRO A 65 2.012 2.318 12.428 1.00 44.53 H new ATOM 0 HD3 PRO A 65 1.031 3.708 12.009 1.00 44.53 H new ATOM 1130 N ASN A 66 4.922 1.903 10.846 1.00 71.01 N ATOM 1131 CA ASN A 66 5.975 0.882 11.021 1.00 45.11 C ATOM 1132 C ASN A 66 6.358 0.247 9.667 1.00 74.32 C ATOM 1133 O ASN A 66 6.806 -0.904 9.614 1.00 73.53 O ATOM 1134 CB ASN A 66 5.454 -0.212 11.999 1.00 21.21 C ATOM 1135 CG ASN A 66 5.033 0.331 13.370 1.00 1.10 C ATOM 1136 OD1 ASN A 66 5.626 1.280 13.894 1.00 11.51 O ATOM 1137 ND2 ASN A 66 3.995 -0.254 13.957 1.00 62.34 N ATOM 0 H ASN A 66 3.981 1.509 10.852 1.00 71.01 H new ATOM 0 HA ASN A 66 6.868 1.354 11.431 1.00 45.11 H new ATOM 0 HB2 ASN A 66 4.603 -0.718 11.543 1.00 21.21 H new ATOM 0 HB3 ASN A 66 6.233 -0.961 12.139 1.00 21.21 H new ATOM 0 HD21 ASN A 66 3.668 0.078 14.864 1.00 62.34 H new ATOM 0 HD22 ASN A 66 3.525 -1.036 13.501 1.00 62.34 H new ATOM 1144 N ALA A 67 6.181 1.012 8.580 1.00 53.23 N ATOM 1145 CA ALA A 67 6.504 0.573 7.215 1.00 30.52 C ATOM 1146 C ALA A 67 7.077 1.742 6.425 1.00 30.22 C ATOM 1147 O ALA A 67 6.603 2.883 6.559 1.00 40.50 O ATOM 1148 CB ALA A 67 5.256 0.023 6.502 1.00 24.13 C ATOM 0 H ALA A 67 5.807 1.960 8.624 1.00 53.23 H new ATOM 0 HA ALA A 67 7.242 -0.227 7.275 1.00 30.52 H new ATOM 0 HB1 ALA A 67 5.523 -0.295 5.494 1.00 24.13 H new ATOM 0 HB2 ALA A 67 4.864 -0.828 7.059 1.00 24.13 H new ATOM 0 HB3 ALA A 67 4.495 0.802 6.447 1.00 24.13 H new ATOM 1154 N ARG A 68 8.122 1.463 5.636 1.00 64.12 N ATOM 1155 CA ARG A 68 8.621 2.393 4.629 1.00 61.44 C ATOM 1156 C ARG A 68 7.591 2.489 3.488 1.00 62.22 C ATOM 1157 O ARG A 68 7.464 1.582 2.664 1.00 53.23 O ATOM 1158 CB ARG A 68 10.015 1.950 4.094 1.00 4.23 C ATOM 1159 CG ARG A 68 10.617 2.822 2.955 1.00 44.25 C ATOM 1160 CD ARG A 68 10.830 4.306 3.339 1.00 72.45 C ATOM 1161 NE ARG A 68 9.575 5.105 3.334 1.00 64.24 N ATOM 1162 CZ ARG A 68 9.176 5.971 4.292 1.00 32.54 C ATOM 1163 NH1 ARG A 68 9.911 6.194 5.378 1.00 74.12 N ATOM 1164 NH2 ARG A 68 8.026 6.610 4.151 1.00 54.13 N ATOM 0 H ARG A 68 8.641 0.586 5.682 1.00 64.12 H new ATOM 0 HA ARG A 68 8.753 3.377 5.080 1.00 61.44 H new ATOM 0 HB2 ARG A 68 10.717 1.942 4.928 1.00 4.23 H new ATOM 0 HB3 ARG A 68 9.935 0.924 3.735 1.00 4.23 H new ATOM 0 HG2 ARG A 68 11.573 2.395 2.653 1.00 44.25 H new ATOM 0 HG3 ARG A 68 9.958 2.773 2.088 1.00 44.25 H new ATOM 0 HD2 ARG A 68 11.279 4.356 4.331 1.00 72.45 H new ATOM 0 HD3 ARG A 68 11.540 4.755 2.644 1.00 72.45 H new ATOM 0 HE ARG A 68 8.957 4.988 2.531 1.00 64.24 H new ATOM 0 HH11 ARG A 68 10.798 5.706 5.502 1.00 74.12 H new ATOM 0 HH12 ARG A 68 9.587 6.853 6.086 1.00 74.12 H new ATOM 0 HH21 ARG A 68 7.450 6.447 3.325 1.00 54.13 H new ATOM 0 HH22 ARG A 68 7.716 7.266 4.868 1.00 54.13 H new ATOM 1178 N VAL A 69 6.849 3.597 3.490 1.00 70.05 N ATOM 1179 CA VAL A 69 5.838 3.902 2.480 1.00 51.12 C ATOM 1180 C VAL A 69 6.503 4.714 1.361 1.00 54.53 C ATOM 1181 O VAL A 69 7.128 5.747 1.624 1.00 42.24 O ATOM 1182 CB VAL A 69 4.645 4.700 3.121 1.00 5.10 C ATOM 1183 CG1 VAL A 69 3.588 5.072 2.065 1.00 64.25 C ATOM 1184 CG2 VAL A 69 4.016 3.897 4.290 1.00 64.13 C ATOM 0 H VAL A 69 6.936 4.319 4.206 1.00 70.05 H new ATOM 0 HA VAL A 69 5.430 2.979 2.068 1.00 51.12 H new ATOM 0 HB VAL A 69 5.041 5.632 3.525 1.00 5.10 H new ATOM 0 HG11 VAL A 69 2.777 5.623 2.541 1.00 64.25 H new ATOM 0 HG12 VAL A 69 4.046 5.693 1.295 1.00 64.25 H new ATOM 0 HG13 VAL A 69 3.192 4.164 1.611 1.00 64.25 H new ATOM 0 HG21 VAL A 69 3.192 4.466 4.721 1.00 64.13 H new ATOM 0 HG22 VAL A 69 3.642 2.943 3.917 1.00 64.13 H new ATOM 0 HG23 VAL A 69 4.771 3.716 5.055 1.00 64.13 H new ATOM 1194 N ARG A 70 6.383 4.234 0.126 1.00 63.24 N ATOM 1195 CA ARG A 70 7.094 4.787 -1.023 1.00 75.03 C ATOM 1196 C ARG A 70 6.083 5.375 -2.016 1.00 10.24 C ATOM 1197 O ARG A 70 5.394 4.641 -2.731 1.00 53.13 O ATOM 1198 CB ARG A 70 7.989 3.693 -1.686 1.00 21.43 C ATOM 1199 CG ARG A 70 8.874 4.210 -2.850 1.00 13.21 C ATOM 1200 CD ARG A 70 9.786 5.384 -2.431 1.00 75.10 C ATOM 1201 NE ARG A 70 10.489 6.003 -3.566 1.00 35.32 N ATOM 1202 CZ ARG A 70 10.932 7.280 -3.602 1.00 2.34 C ATOM 1203 NH1 ARG A 70 10.753 8.109 -2.570 1.00 51.42 N ATOM 1204 NH2 ARG A 70 11.564 7.715 -4.681 1.00 0.25 N ATOM 0 H ARG A 70 5.784 3.442 -0.107 1.00 63.24 H new ATOM 0 HA ARG A 70 7.754 5.590 -0.695 1.00 75.03 H new ATOM 0 HB2 ARG A 70 8.633 3.255 -0.923 1.00 21.43 H new ATOM 0 HB3 ARG A 70 7.349 2.894 -2.059 1.00 21.43 H new ATOM 0 HG2 ARG A 70 9.490 3.392 -3.223 1.00 13.21 H new ATOM 0 HG3 ARG A 70 8.234 4.528 -3.673 1.00 13.21 H new ATOM 0 HD2 ARG A 70 9.185 6.141 -1.927 1.00 75.10 H new ATOM 0 HD3 ARG A 70 10.520 5.026 -1.708 1.00 75.10 H new ATOM 0 HE ARG A 70 10.655 5.424 -4.389 1.00 35.32 H new ATOM 0 HH11 ARG A 70 10.273 7.783 -1.731 1.00 51.42 H new ATOM 0 HH12 ARG A 70 11.096 9.068 -2.621 1.00 51.42 H new ATOM 0 HH21 ARG A 70 11.712 7.089 -5.473 1.00 0.25 H new ATOM 0 HH22 ARG A 70 11.903 8.676 -4.721 1.00 0.25 H new ATOM 1218 N GLU A 71 6.002 6.712 -2.013 1.00 61.22 N ATOM 1219 CA GLU A 71 5.219 7.498 -2.970 1.00 54.33 C ATOM 1220 C GLU A 71 6.027 7.567 -4.278 1.00 52.12 C ATOM 1221 O GLU A 71 7.089 8.200 -4.325 1.00 44.43 O ATOM 1222 CB GLU A 71 4.997 8.926 -2.388 1.00 21.12 C ATOM 1223 CG GLU A 71 4.186 9.899 -3.282 1.00 25.42 C ATOM 1224 CD GLU A 71 4.315 11.378 -2.847 1.00 72.14 C ATOM 1225 OE1 GLU A 71 3.985 11.708 -1.685 1.00 74.44 O ATOM 1226 OE2 GLU A 71 4.769 12.217 -3.665 1.00 44.22 O ATOM 0 H GLU A 71 6.491 7.289 -1.328 1.00 61.22 H new ATOM 0 HA GLU A 71 4.245 7.047 -3.158 1.00 54.33 H new ATOM 0 HB2 GLU A 71 4.487 8.832 -1.429 1.00 21.12 H new ATOM 0 HB3 GLU A 71 5.971 9.372 -2.188 1.00 21.12 H new ATOM 0 HG2 GLU A 71 4.523 9.800 -4.314 1.00 25.42 H new ATOM 0 HG3 GLU A 71 3.135 9.611 -3.261 1.00 25.42 H new ATOM 1233 N THR A 72 5.561 6.854 -5.309 1.00 61.14 N ATOM 1234 CA THR A 72 6.241 6.791 -6.613 1.00 14.23 C ATOM 1235 C THR A 72 5.234 6.962 -7.757 1.00 62.50 C ATOM 1236 O THR A 72 4.370 6.112 -7.979 1.00 4.44 O ATOM 1237 CB THR A 72 7.037 5.437 -6.794 1.00 14.03 C ATOM 1238 OG1 THR A 72 6.353 4.359 -6.133 1.00 64.12 O ATOM 1239 CG2 THR A 72 8.479 5.531 -6.262 1.00 54.54 C ATOM 0 H THR A 72 4.703 6.304 -5.266 1.00 61.14 H new ATOM 0 HA THR A 72 6.959 7.611 -6.643 1.00 14.23 H new ATOM 0 HB THR A 72 7.087 5.242 -7.865 1.00 14.03 H new ATOM 0 HG1 THR A 72 6.929 3.567 -6.117 1.00 64.12 H new ATOM 0 HG21 THR A 72 8.984 4.576 -6.409 1.00 54.54 H new ATOM 0 HG22 THR A 72 9.015 6.312 -6.801 1.00 54.54 H new ATOM 0 HG23 THR A 72 8.460 5.771 -5.199 1.00 54.54 H new ATOM 1247 N GLU A 73 5.358 8.088 -8.460 1.00 4.13 N ATOM 1248 CA GLU A 73 4.763 8.277 -9.778 1.00 45.25 C ATOM 1249 C GLU A 73 5.736 7.622 -10.771 1.00 15.03 C ATOM 1250 O GLU A 73 6.824 8.172 -11.009 1.00 0.00 O ATOM 1251 CB GLU A 73 4.587 9.793 -10.084 1.00 2.41 C ATOM 1252 CG GLU A 73 3.842 10.586 -8.987 1.00 74.54 C ATOM 1253 CD GLU A 73 3.733 12.089 -9.301 1.00 23.33 C ATOM 1254 OE1 GLU A 73 4.732 12.817 -9.093 1.00 60.40 O ATOM 1255 OE2 GLU A 73 2.658 12.558 -9.754 1.00 54.21 O ATOM 0 H GLU A 73 5.879 8.899 -8.126 1.00 4.13 H new ATOM 0 HA GLU A 73 3.771 7.830 -9.843 1.00 45.25 H new ATOM 0 HB2 GLU A 73 5.571 10.238 -10.231 1.00 2.41 H new ATOM 0 HB3 GLU A 73 4.045 9.901 -11.024 1.00 2.41 H new ATOM 0 HG2 GLU A 73 2.841 10.173 -8.864 1.00 74.54 H new ATOM 0 HG3 GLU A 73 4.360 10.455 -8.037 1.00 74.54 H new ATOM 1262 N THR A 74 5.381 6.414 -11.259 1.00 45.14 N ATOM 1263 CA THR A 74 6.232 5.623 -12.161 1.00 61.03 C ATOM 1264 C THR A 74 6.695 6.474 -13.355 1.00 14.10 C ATOM 1265 O THR A 74 5.874 7.009 -14.090 1.00 60.21 O ATOM 1266 CB THR A 74 5.476 4.368 -12.691 1.00 23.11 C ATOM 1267 OG1 THR A 74 4.892 3.645 -11.593 1.00 21.12 O ATOM 1268 CG2 THR A 74 6.391 3.422 -13.499 1.00 65.21 C ATOM 0 H THR A 74 4.494 5.963 -11.036 1.00 45.14 H new ATOM 0 HA THR A 74 7.100 5.298 -11.588 1.00 61.03 H new ATOM 0 HB THR A 74 4.697 4.727 -13.364 1.00 23.11 H new ATOM 0 HG1 THR A 74 4.042 4.063 -11.341 1.00 21.12 H new ATOM 0 HG21 THR A 74 5.814 2.564 -13.844 1.00 65.21 H new ATOM 0 HG22 THR A 74 6.798 3.955 -14.358 1.00 65.21 H new ATOM 0 HG23 THR A 74 7.208 3.078 -12.866 1.00 65.21 H new