USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 816 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 29 TYR OH : rot -159:sc= 1.21 USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 97 THR OG1 : rot 55:sc= 0.588 USER MOD Single : A 9 SER OG : rot 180:sc= -0.176 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.116 K(o=-0.12,f=-0.74) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0.525 K(o=0.53,f=-6.3!) USER MOD Single : A 38 SER OG : rot 88:sc= 0.406 USER MOD Single : A 47 ASN : amide:sc= -0.0624 X(o=-0.062,f=-0.35) USER MOD Single : A 53 THR OG1 : rot -28:sc= 1.61 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.0244 USER MOD Single : A 59 GLN : amide:sc= -0.356 X(o=-0.36,f=-0.36) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 87:sc= 1.32 USER MOD Single : A 69 GLN : amide:sc= -0.722 X(o=-0.72,f=-1.1) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 56:sc= 0.464 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.801 USER MOD Single : A 80 ASN : amide:sc= -3.59! C(o=-3.6!,f=-3.8!) USER MOD Single : A 86 TYR OH : rot 180:sc= -0.61 USER MOD Single : A 87 CYS SG : rot 89:sc= -0.219 USER MOD Single : A 89 HIS : no HD1:sc= -1.11 K(o=-0.5,f=-5.1!) USER MOD Single : A 90 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.045) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 160:sc= -0.0601 (180deg=-0.3) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 7 4.358 -4.414 -13.242 1.00 73.00 N ATOM 64 CA VAL A 7 3.135 -4.618 -14.011 1.00 4.52 C ATOM 65 C VAL A 7 1.967 -3.857 -13.396 1.00 64.22 C ATOM 66 O VAL A 7 1.282 -3.091 -14.077 1.00 42.43 O ATOM 67 CB VAL A 7 2.771 -6.111 -14.100 1.00 60.23 C ATOM 68 CG1 VAL A 7 1.604 -6.321 -15.054 1.00 4.42 C ATOM 69 CG2 VAL A 7 3.979 -6.929 -14.535 1.00 24.10 C ATOM 0 HA VAL A 7 3.325 -4.238 -15.015 1.00 4.52 H new ATOM 0 HB VAL A 7 2.466 -6.452 -13.111 1.00 60.23 H new ATOM 0 HG11 VAL A 7 1.361 -7.382 -15.104 1.00 4.42 H new ATOM 0 HG12 VAL A 7 0.737 -5.767 -14.695 1.00 4.42 H new ATOM 0 HG13 VAL A 7 1.877 -5.964 -16.047 1.00 4.42 H new ATOM 0 HG21 VAL A 7 3.704 -7.982 -14.593 1.00 24.10 H new ATOM 0 HG22 VAL A 7 4.316 -6.588 -15.514 1.00 24.10 H new ATOM 0 HG23 VAL A 7 4.783 -6.803 -13.810 1.00 24.10 H new ATOM 79 N LEU A 8 1.742 -4.071 -12.104 1.00 3.34 N ATOM 80 CA LEU A 8 0.655 -3.404 -11.395 1.00 21.12 C ATOM 81 C LEU A 8 1.178 -2.667 -10.166 1.00 1.14 C ATOM 82 O LEU A 8 2.002 -3.193 -9.419 1.00 42.42 O ATOM 83 CB LEU A 8 -0.409 -4.422 -10.979 1.00 12.40 C ATOM 84 CG LEU A 8 -1.142 -5.129 -12.119 1.00 31.31 C ATOM 85 CD1 LEU A 8 -2.030 -6.238 -11.576 1.00 22.20 C ATOM 86 CD2 LEU A 8 -1.963 -4.133 -12.925 1.00 41.01 C ATOM 0 H LEU A 8 2.298 -4.701 -11.526 1.00 3.34 H new ATOM 0 HA LEU A 8 0.207 -2.675 -12.070 1.00 21.12 H new ATOM 0 HB2 LEU A 8 0.065 -5.179 -10.354 1.00 12.40 H new ATOM 0 HB3 LEU A 8 -1.147 -3.913 -10.359 1.00 12.40 H new ATOM 0 HG LEU A 8 -0.400 -5.576 -12.780 1.00 31.31 H new ATOM 0 HD11 LEU A 8 -2.544 -6.730 -12.402 1.00 22.20 H new ATOM 0 HD12 LEU A 8 -1.418 -6.966 -11.044 1.00 22.20 H new ATOM 0 HD13 LEU A 8 -2.765 -5.814 -10.893 1.00 22.20 H new ATOM 0 HD21 LEU A 8 -2.478 -4.654 -13.732 1.00 41.01 H new ATOM 0 HD22 LEU A 8 -2.697 -3.656 -12.275 1.00 41.01 H new ATOM 0 HD23 LEU A 8 -1.303 -3.374 -13.346 1.00 41.01 H new ATOM 98 N SER A 9 0.691 -1.447 -9.962 1.00 22.41 N ATOM 99 CA SER A 9 1.110 -0.637 -8.825 1.00 24.33 C ATOM 100 C SER A 9 0.279 -0.965 -7.588 1.00 21.44 C ATOM 101 O SER A 9 -0.499 -1.918 -7.584 1.00 15.21 O ATOM 102 CB SER A 9 0.984 0.851 -9.158 1.00 2.22 C ATOM 103 OG SER A 9 -0.374 1.228 -9.303 1.00 31.04 O ATOM 0 H SER A 9 0.006 -0.998 -10.570 1.00 22.41 H new ATOM 0 HA SER A 9 2.154 -0.867 -8.611 1.00 24.33 H new ATOM 0 HB2 SER A 9 1.447 1.444 -8.369 1.00 2.22 H new ATOM 0 HB3 SER A 9 1.525 1.068 -10.079 1.00 2.22 H new ATOM 0 HG SER A 9 -0.428 2.184 -9.514 1.00 31.04 H new ATOM 109 N GLY A 10 0.449 -0.166 -6.539 1.00 71.41 N ATOM 110 CA GLY A 10 -0.292 -0.388 -5.310 1.00 11.01 C ATOM 111 C GLY A 10 -1.789 -0.444 -5.538 1.00 2.25 C ATOM 112 O GLY A 10 -2.458 -1.372 -5.088 1.00 62.23 O ATOM 0 H GLY A 10 1.086 0.630 -6.518 1.00 71.41 H new ATOM 0 HA2 GLY A 10 0.038 -1.321 -4.854 1.00 11.01 H new ATOM 0 HA3 GLY A 10 -0.065 0.410 -4.603 1.00 11.01 H new ATOM 116 N GLY A 11 -2.317 0.556 -6.239 1.00 4.11 N ATOM 117 CA GLY A 11 -3.742 0.600 -6.511 1.00 73.11 C ATOM 118 C GLY A 11 -4.190 -0.519 -7.431 1.00 23.43 C ATOM 119 O GLY A 11 -5.177 -1.200 -7.153 1.00 15.22 O ATOM 0 H GLY A 11 -1.783 1.336 -6.623 1.00 4.11 H new ATOM 0 HA2 GLY A 11 -4.291 0.536 -5.571 1.00 73.11 H new ATOM 0 HA3 GLY A 11 -3.994 1.560 -6.962 1.00 73.11 H new ATOM 123 N GLU A 12 -3.466 -0.706 -8.529 1.00 55.30 N ATOM 124 CA GLU A 12 -3.797 -1.749 -9.493 1.00 34.25 C ATOM 125 C GLU A 12 -3.754 -3.127 -8.841 1.00 73.33 C ATOM 126 O GLU A 12 -4.507 -4.027 -9.216 1.00 52.15 O ATOM 127 CB GLU A 12 -2.830 -1.704 -10.679 1.00 32.05 C ATOM 128 CG GLU A 12 -2.682 -0.320 -11.291 1.00 61.42 C ATOM 129 CD GLU A 12 -1.788 -0.317 -12.516 1.00 32.01 C ATOM 130 OE1 GLU A 12 -0.554 -0.422 -12.350 1.00 61.43 O ATOM 131 OE2 GLU A 12 -2.322 -0.210 -13.640 1.00 54.25 O ATOM 0 H GLU A 12 -2.647 -0.150 -8.774 1.00 55.30 H new ATOM 0 HA GLU A 12 -4.810 -1.567 -9.852 1.00 34.25 H new ATOM 0 HB2 GLU A 12 -1.851 -2.054 -10.352 1.00 32.05 H new ATOM 0 HB3 GLU A 12 -3.177 -2.396 -11.446 1.00 32.05 H new ATOM 0 HG2 GLU A 12 -3.667 0.060 -11.563 1.00 61.42 H new ATOM 0 HG3 GLU A 12 -2.272 0.361 -10.545 1.00 61.42 H new ATOM 138 N LEU A 13 -2.869 -3.285 -7.864 1.00 52.22 N ATOM 139 CA LEU A 13 -2.727 -4.554 -7.159 1.00 51.31 C ATOM 140 C LEU A 13 -4.022 -4.929 -6.446 1.00 43.24 C ATOM 141 O LEU A 13 -4.521 -6.045 -6.591 1.00 60.43 O ATOM 142 CB LEU A 13 -1.581 -4.473 -6.149 1.00 50.44 C ATOM 143 CG LEU A 13 -1.097 -5.805 -5.574 1.00 14.40 C ATOM 144 CD1 LEU A 13 -0.691 -6.753 -6.693 1.00 63.30 C ATOM 145 CD2 LEU A 13 0.064 -5.582 -4.615 1.00 72.23 C ATOM 0 H LEU A 13 -2.239 -2.551 -7.542 1.00 52.22 H new ATOM 0 HA LEU A 13 -2.502 -5.327 -7.894 1.00 51.31 H new ATOM 0 HB2 LEU A 13 -0.736 -3.978 -6.628 1.00 50.44 H new ATOM 0 HB3 LEU A 13 -1.896 -3.836 -5.322 1.00 50.44 H new ATOM 0 HG LEU A 13 -1.918 -6.259 -5.020 1.00 14.40 H new ATOM 0 HD11 LEU A 13 -0.349 -7.696 -6.265 1.00 63.30 H new ATOM 0 HD12 LEU A 13 -1.547 -6.938 -7.342 1.00 63.30 H new ATOM 0 HD13 LEU A 13 0.115 -6.305 -7.275 1.00 63.30 H new ATOM 0 HD21 LEU A 13 0.395 -6.541 -4.216 1.00 72.23 H new ATOM 0 HD22 LEU A 13 0.888 -5.106 -5.146 1.00 72.23 H new ATOM 0 HD23 LEU A 13 -0.259 -4.940 -3.796 1.00 72.23 H new ATOM 157 N ASP A 14 -4.562 -3.990 -5.678 1.00 0.30 N ATOM 158 CA ASP A 14 -5.801 -4.220 -4.945 1.00 33.34 C ATOM 159 C ASP A 14 -6.925 -4.631 -5.892 1.00 3.22 C ATOM 160 O ASP A 14 -7.534 -5.688 -5.728 1.00 30.41 O ATOM 161 CB ASP A 14 -6.203 -2.962 -4.173 1.00 40.24 C ATOM 162 CG ASP A 14 -6.047 -3.129 -2.674 1.00 21.31 C ATOM 163 OD1 ASP A 14 -5.177 -3.919 -2.253 1.00 71.20 O ATOM 164 OD2 ASP A 14 -6.796 -2.469 -1.922 1.00 2.41 O ATOM 0 H ASP A 14 -4.161 -3.061 -5.547 1.00 0.30 H new ATOM 0 HA ASP A 14 -5.630 -5.032 -4.238 1.00 33.34 H new ATOM 0 HB2 ASP A 14 -5.593 -2.123 -4.508 1.00 40.24 H new ATOM 0 HB3 ASP A 14 -7.239 -2.714 -4.402 1.00 40.24 H new ATOM 169 N LYS A 15 -7.194 -3.787 -6.883 1.00 1.00 N ATOM 170 CA LYS A 15 -8.243 -4.061 -7.858 1.00 64.34 C ATOM 171 C LYS A 15 -7.991 -5.386 -8.571 1.00 1.03 C ATOM 172 O LYS A 15 -8.924 -6.138 -8.851 1.00 2.11 O ATOM 173 CB LYS A 15 -8.327 -2.926 -8.880 1.00 33.13 C ATOM 174 CG LYS A 15 -9.311 -1.835 -8.499 1.00 70.50 C ATOM 175 CD LYS A 15 -8.598 -0.573 -8.046 1.00 2.32 C ATOM 176 CE LYS A 15 -9.307 0.077 -6.868 1.00 63.14 C ATOM 177 NZ LYS A 15 -8.344 0.577 -5.847 1.00 14.14 N ATOM 0 H LYS A 15 -6.700 -2.907 -7.032 1.00 1.00 H new ATOM 0 HA LYS A 15 -9.191 -4.131 -7.325 1.00 64.34 H new ATOM 0 HB2 LYS A 15 -7.338 -2.485 -9.002 1.00 33.13 H new ATOM 0 HB3 LYS A 15 -8.613 -3.340 -9.847 1.00 33.13 H new ATOM 0 HG2 LYS A 15 -9.950 -1.606 -9.352 1.00 70.50 H new ATOM 0 HG3 LYS A 15 -9.961 -2.193 -7.701 1.00 70.50 H new ATOM 0 HD2 LYS A 15 -7.572 -0.814 -7.766 1.00 2.32 H new ATOM 0 HD3 LYS A 15 -8.545 0.133 -8.875 1.00 2.32 H new ATOM 0 HE2 LYS A 15 -9.920 0.905 -7.225 1.00 63.14 H new ATOM 0 HE3 LYS A 15 -9.982 -0.644 -6.408 1.00 63.14 H new ATOM 0 HZ1 LYS A 15 -8.867 1.013 -5.061 1.00 14.14 H new ATOM 0 HZ2 LYS A 15 -7.776 -0.217 -5.487 1.00 14.14 H new ATOM 0 HZ3 LYS A 15 -7.716 1.284 -6.279 1.00 14.14 H new ATOM 191 N TRP A 16 -6.725 -5.664 -8.862 1.00 43.53 N ATOM 192 CA TRP A 16 -6.351 -6.898 -9.542 1.00 50.43 C ATOM 193 C TRP A 16 -6.777 -8.117 -8.731 1.00 40.21 C ATOM 194 O TRP A 16 -7.401 -9.037 -9.260 1.00 43.51 O ATOM 195 CB TRP A 16 -4.840 -6.934 -9.783 1.00 72.13 C ATOM 196 CG TRP A 16 -4.389 -8.140 -10.550 1.00 61.33 C ATOM 197 CD1 TRP A 16 -3.752 -9.239 -10.049 1.00 52.43 C ATOM 198 CD2 TRP A 16 -4.541 -8.368 -11.955 1.00 12.11 C ATOM 199 NE1 TRP A 16 -3.497 -10.136 -11.059 1.00 63.54 N ATOM 200 CE2 TRP A 16 -3.973 -9.625 -12.238 1.00 61.12 C ATOM 201 CE3 TRP A 16 -5.103 -7.633 -13.003 1.00 25.22 C ATOM 202 CZ2 TRP A 16 -3.951 -10.161 -13.523 1.00 63.03 C ATOM 203 CZ3 TRP A 16 -5.081 -8.165 -14.278 1.00 50.34 C ATOM 204 CH2 TRP A 16 -4.509 -9.419 -14.528 1.00 15.23 C ATOM 0 H TRP A 16 -5.941 -5.052 -8.638 1.00 43.53 H new ATOM 0 HA TRP A 16 -6.866 -6.925 -10.502 1.00 50.43 H new ATOM 0 HB2 TRP A 16 -4.544 -6.036 -10.325 1.00 72.13 H new ATOM 0 HB3 TRP A 16 -4.325 -6.910 -8.822 1.00 72.13 H new ATOM 0 HD1 TRP A 16 -3.487 -9.382 -9.012 1.00 52.43 H new ATOM 0 HE1 TRP A 16 -3.029 -11.036 -10.949 1.00 63.54 H new ATOM 0 HE3 TRP A 16 -5.547 -6.666 -12.819 1.00 25.22 H new ATOM 0 HZ2 TRP A 16 -3.510 -11.127 -13.719 1.00 63.03 H new ATOM 0 HZ3 TRP A 16 -5.512 -7.605 -15.095 1.00 50.34 H new ATOM 0 HH2 TRP A 16 -4.508 -9.808 -15.535 1.00 15.23 H new ATOM 215 N GLU A 17 -6.437 -8.117 -7.446 1.00 41.31 N ATOM 216 CA GLU A 17 -6.786 -9.224 -6.564 1.00 44.55 C ATOM 217 C GLU A 17 -8.291 -9.269 -6.316 1.00 41.32 C ATOM 218 O GLU A 17 -8.814 -10.247 -5.781 1.00 72.04 O ATOM 219 CB GLU A 17 -6.042 -9.098 -5.232 1.00 41.04 C ATOM 220 CG GLU A 17 -4.529 -9.091 -5.377 1.00 34.14 C ATOM 221 CD GLU A 17 -3.816 -8.977 -4.045 1.00 15.30 C ATOM 222 OE1 GLU A 17 -3.852 -9.952 -3.267 1.00 41.04 O ATOM 223 OE2 GLU A 17 -3.220 -7.912 -3.782 1.00 42.33 O ATOM 0 H GLU A 17 -5.921 -7.363 -6.993 1.00 41.31 H new ATOM 0 HA GLU A 17 -6.488 -10.152 -7.052 1.00 44.55 H new ATOM 0 HB2 GLU A 17 -6.355 -8.179 -4.736 1.00 41.04 H new ATOM 0 HB3 GLU A 17 -6.332 -9.925 -4.584 1.00 41.04 H new ATOM 0 HG2 GLU A 17 -4.212 -10.006 -5.878 1.00 34.14 H new ATOM 0 HG3 GLU A 17 -4.233 -8.259 -6.016 1.00 34.14 H new ATOM 230 N LYS A 18 -8.981 -8.205 -6.708 1.00 3.35 N ATOM 231 CA LYS A 18 -10.426 -8.120 -6.530 1.00 51.15 C ATOM 232 C LYS A 18 -11.157 -8.645 -7.761 1.00 14.40 C ATOM 233 O LYS A 18 -12.125 -9.398 -7.646 1.00 2.32 O ATOM 234 CB LYS A 18 -10.843 -6.674 -6.254 1.00 5.20 C ATOM 235 CG LYS A 18 -11.151 -6.398 -4.792 1.00 21.04 C ATOM 236 CD LYS A 18 -12.646 -6.284 -4.550 1.00 21.44 C ATOM 237 CE LYS A 18 -13.071 -4.835 -4.357 1.00 53.42 C ATOM 238 NZ LYS A 18 -13.449 -4.551 -2.945 1.00 14.14 N ATOM 0 H LYS A 18 -8.563 -7.387 -7.152 1.00 3.35 H new ATOM 0 HA LYS A 18 -10.699 -8.739 -5.675 1.00 51.15 H new ATOM 0 HB2 LYS A 18 -10.046 -6.006 -6.581 1.00 5.20 H new ATOM 0 HB3 LYS A 18 -11.723 -6.438 -6.853 1.00 5.20 H new ATOM 0 HG2 LYS A 18 -10.742 -7.198 -4.175 1.00 21.04 H new ATOM 0 HG3 LYS A 18 -10.660 -5.475 -4.484 1.00 21.04 H new ATOM 0 HD2 LYS A 18 -13.186 -6.713 -5.394 1.00 21.44 H new ATOM 0 HD3 LYS A 18 -12.918 -6.865 -3.669 1.00 21.44 H new ATOM 0 HE2 LYS A 18 -12.256 -4.175 -4.655 1.00 53.42 H new ATOM 0 HE3 LYS A 18 -13.915 -4.614 -5.010 1.00 53.42 H new ATOM 0 HZ1 LYS A 18 -13.732 -3.554 -2.855 1.00 14.14 H new ATOM 0 HZ2 LYS A 18 -14.243 -5.163 -2.668 1.00 14.14 H new ATOM 0 HZ3 LYS A 18 -12.636 -4.737 -2.324 1.00 14.14 H new ATOM 252 N ILE A 19 -10.686 -8.246 -8.938 1.00 64.51 N ATOM 253 CA ILE A 19 -11.295 -8.678 -10.190 1.00 53.21 C ATOM 254 C ILE A 19 -11.435 -10.197 -10.237 1.00 1.51 C ATOM 255 O ILE A 19 -10.463 -10.926 -10.036 1.00 65.43 O ATOM 256 CB ILE A 19 -10.473 -8.212 -11.406 1.00 60.21 C ATOM 257 CG1 ILE A 19 -10.359 -6.686 -11.417 1.00 42.14 C ATOM 258 CG2 ILE A 19 -11.107 -8.710 -12.696 1.00 34.00 C ATOM 259 CD1 ILE A 19 -8.984 -6.186 -11.800 1.00 43.53 C ATOM 0 H ILE A 19 -9.885 -7.625 -9.051 1.00 64.51 H new ATOM 0 HA ILE A 19 -12.284 -8.222 -10.234 1.00 53.21 H new ATOM 0 HB ILE A 19 -9.470 -8.632 -11.331 1.00 60.21 H new ATOM 0 HG12 ILE A 19 -11.092 -6.280 -12.114 1.00 42.14 H new ATOM 0 HG13 ILE A 19 -10.614 -6.304 -10.429 1.00 42.14 H new ATOM 0 HG21 ILE A 19 -10.515 -8.373 -13.546 1.00 34.00 H new ATOM 0 HG22 ILE A 19 -11.142 -9.799 -12.687 1.00 34.00 H new ATOM 0 HG23 ILE A 19 -12.120 -8.315 -12.780 1.00 34.00 H new ATOM 0 HD11 ILE A 19 -8.976 -5.096 -11.787 1.00 43.53 H new ATOM 0 HD12 ILE A 19 -8.249 -6.563 -11.089 1.00 43.53 H new ATOM 0 HD13 ILE A 19 -8.734 -6.539 -12.801 1.00 43.53 H new ATOM 271 N ARG A 20 -12.649 -10.666 -10.506 1.00 2.02 N ATOM 272 CA ARG A 20 -12.916 -12.097 -10.580 1.00 61.21 C ATOM 273 C ARG A 20 -12.875 -12.583 -12.027 1.00 65.35 C ATOM 274 O ARG A 20 -13.335 -11.893 -12.937 1.00 31.11 O ATOM 275 CB ARG A 20 -14.278 -12.416 -9.962 1.00 4.10 C ATOM 276 CG ARG A 20 -14.515 -11.735 -8.623 1.00 13.34 C ATOM 277 CD ARG A 20 -15.189 -10.383 -8.798 1.00 2.25 C ATOM 278 NE ARG A 20 -16.166 -10.118 -7.745 1.00 54.32 N ATOM 279 CZ ARG A 20 -17.345 -10.723 -7.669 1.00 42.11 C ATOM 280 NH1 ARG A 20 -17.693 -11.622 -8.578 1.00 32.33 N ATOM 281 NH2 ARG A 20 -18.181 -10.429 -6.680 1.00 12.34 N ATOM 0 H ARG A 20 -13.463 -10.076 -10.676 1.00 2.02 H new ATOM 0 HA ARG A 20 -12.140 -12.616 -10.018 1.00 61.21 H new ATOM 0 HB2 ARG A 20 -15.062 -12.115 -10.657 1.00 4.10 H new ATOM 0 HB3 ARG A 20 -14.365 -13.495 -9.832 1.00 4.10 H new ATOM 0 HG2 ARG A 20 -15.135 -12.373 -7.994 1.00 13.34 H new ATOM 0 HG3 ARG A 20 -13.564 -11.605 -8.106 1.00 13.34 H new ATOM 0 HD2 ARG A 20 -14.433 -9.598 -8.797 1.00 2.25 H new ATOM 0 HD3 ARG A 20 -15.684 -10.347 -9.769 1.00 2.25 H new ATOM 0 HE ARG A 20 -15.929 -9.431 -7.029 1.00 54.32 H new ATOM 0 HH11 ARG A 20 -17.054 -11.851 -9.339 1.00 32.33 H new ATOM 0 HH12 ARG A 20 -18.600 -12.085 -8.516 1.00 32.33 H new ATOM 0 HH21 ARG A 20 -17.917 -9.738 -5.978 1.00 12.34 H new ATOM 0 HH22 ARG A 20 -19.087 -10.894 -6.623 1.00 12.34 H new ATOM 295 N LEU A 21 -12.322 -13.773 -12.229 1.00 21.10 N ATOM 296 CA LEU A 21 -12.220 -14.352 -13.564 1.00 35.51 C ATOM 297 C LEU A 21 -13.594 -14.453 -14.220 1.00 32.43 C ATOM 298 O LEU A 21 -13.709 -14.448 -15.446 1.00 72.33 O ATOM 299 CB LEU A 21 -11.574 -15.737 -13.493 1.00 21.53 C ATOM 300 CG LEU A 21 -10.247 -15.820 -12.740 1.00 42.14 C ATOM 301 CD1 LEU A 21 -10.056 -17.207 -12.146 1.00 74.02 C ATOM 302 CD2 LEU A 21 -9.087 -15.467 -13.660 1.00 32.51 C ATOM 0 H LEU A 21 -11.937 -14.356 -11.486 1.00 21.10 H new ATOM 0 HA LEU A 21 -11.595 -13.697 -14.170 1.00 35.51 H new ATOM 0 HB2 LEU A 21 -12.280 -16.421 -13.022 1.00 21.53 H new ATOM 0 HB3 LEU A 21 -11.415 -16.094 -14.510 1.00 21.53 H new ATOM 0 HG LEU A 21 -10.269 -15.098 -11.924 1.00 42.14 H new ATOM 0 HD11 LEU A 21 -9.106 -17.247 -11.614 1.00 74.02 H new ATOM 0 HD12 LEU A 21 -10.870 -17.421 -11.453 1.00 74.02 H new ATOM 0 HD13 LEU A 21 -10.056 -17.948 -12.945 1.00 74.02 H new ATOM 0 HD21 LEU A 21 -8.151 -15.532 -13.106 1.00 32.51 H new ATOM 0 HD22 LEU A 21 -9.062 -16.164 -14.498 1.00 32.51 H new ATOM 0 HD23 LEU A 21 -9.217 -14.452 -14.036 1.00 32.51 H new ATOM 314 N ARG A 22 -14.633 -14.541 -13.396 1.00 1.31 N ATOM 315 CA ARG A 22 -15.998 -14.640 -13.895 1.00 35.41 C ATOM 316 C ARG A 22 -16.896 -13.598 -13.237 1.00 61.20 C ATOM 317 O ARG A 22 -16.590 -13.063 -12.171 1.00 50.14 O ATOM 318 CB ARG A 22 -16.556 -16.043 -13.643 1.00 4.42 C ATOM 319 CG ARG A 22 -16.612 -16.910 -14.889 1.00 31.54 C ATOM 320 CD ARG A 22 -17.443 -18.163 -14.659 1.00 21.14 C ATOM 321 NE ARG A 22 -16.954 -19.295 -15.441 1.00 62.15 N ATOM 322 CZ ARG A 22 -17.118 -19.407 -16.754 1.00 1.21 C ATOM 323 NH1 ARG A 22 -17.755 -18.460 -17.429 1.00 12.21 N ATOM 324 NH2 ARG A 22 -16.645 -20.467 -17.396 1.00 71.04 N ATOM 0 H ARG A 22 -14.555 -14.546 -12.379 1.00 1.31 H new ATOM 0 HA ARG A 22 -15.979 -14.451 -14.968 1.00 35.41 H new ATOM 0 HB2 ARG A 22 -15.941 -16.540 -12.893 1.00 4.42 H new ATOM 0 HB3 ARG A 22 -17.559 -15.956 -13.226 1.00 4.42 H new ATOM 0 HG2 ARG A 22 -17.036 -16.337 -15.714 1.00 31.54 H new ATOM 0 HG3 ARG A 22 -15.601 -17.192 -15.183 1.00 31.54 H new ATOM 0 HD2 ARG A 22 -17.426 -18.420 -13.600 1.00 21.14 H new ATOM 0 HD3 ARG A 22 -18.482 -17.962 -14.922 1.00 21.14 H new ATOM 0 HE ARG A 22 -16.459 -20.041 -14.952 1.00 62.15 H new ATOM 0 HH11 ARG A 22 -18.120 -17.643 -16.940 1.00 12.21 H new ATOM 0 HH12 ARG A 22 -17.880 -18.549 -18.437 1.00 12.21 H new ATOM 0 HH21 ARG A 22 -16.154 -21.198 -16.881 1.00 71.04 H new ATOM 0 HH22 ARG A 22 -16.772 -20.551 -18.405 1.00 71.04 H new ATOM 338 N PRO A 23 -18.033 -13.300 -13.884 1.00 14.32 N ATOM 339 CA PRO A 23 -18.998 -12.320 -13.380 1.00 60.21 C ATOM 340 C PRO A 23 -19.724 -12.811 -12.132 1.00 3.33 C ATOM 341 O PRO A 23 -19.855 -12.080 -11.151 1.00 43.51 O ATOM 342 CB PRO A 23 -19.982 -12.160 -14.542 1.00 3.34 C ATOM 343 CG PRO A 23 -19.888 -13.441 -15.297 1.00 0.31 C ATOM 344 CD PRO A 23 -18.462 -13.898 -15.160 1.00 41.01 C ATOM 0 HA PRO A 23 -18.515 -11.390 -13.081 1.00 60.21 H new ATOM 0 HB2 PRO A 23 -20.996 -11.987 -14.181 1.00 3.34 H new ATOM 0 HB3 PRO A 23 -19.718 -11.310 -15.171 1.00 3.34 H new ATOM 0 HG2 PRO A 23 -20.576 -14.183 -14.893 1.00 0.31 H new ATOM 0 HG3 PRO A 23 -20.153 -13.297 -16.344 1.00 0.31 H new ATOM 0 HD2 PRO A 23 -18.389 -14.985 -15.139 1.00 41.01 H new ATOM 0 HD3 PRO A 23 -17.848 -13.553 -15.992 1.00 41.01 H new ATOM 352 N GLY A 24 -20.194 -14.053 -12.175 1.00 13.43 N ATOM 353 CA GLY A 24 -20.899 -14.620 -11.041 1.00 31.22 C ATOM 354 C GLY A 24 -20.049 -15.601 -10.260 1.00 50.11 C ATOM 355 O GLY A 24 -20.571 -16.443 -9.530 1.00 30.15 O ATOM 0 H GLY A 24 -20.099 -14.677 -12.976 1.00 13.43 H new ATOM 0 HA2 GLY A 24 -21.221 -13.816 -10.379 1.00 31.22 H new ATOM 0 HA3 GLY A 24 -21.799 -15.124 -11.392 1.00 31.22 H new ATOM 359 N GLY A 25 -18.733 -15.494 -10.414 1.00 13.30 N ATOM 360 CA GLY A 25 -17.829 -16.387 -9.712 1.00 51.22 C ATOM 361 C GLY A 25 -17.256 -15.762 -8.454 1.00 33.35 C ATOM 362 O GLY A 25 -17.600 -14.633 -8.101 1.00 33.33 O ATOM 0 H GLY A 25 -18.277 -14.805 -11.012 1.00 13.30 H new ATOM 0 HA2 GLY A 25 -18.359 -17.303 -9.450 1.00 51.22 H new ATOM 0 HA3 GLY A 25 -17.013 -16.670 -10.377 1.00 51.22 H new ATOM 366 N LYS A 26 -16.382 -16.496 -7.776 1.00 21.24 N ATOM 367 CA LYS A 26 -15.760 -16.008 -6.551 1.00 63.03 C ATOM 368 C LYS A 26 -14.252 -15.860 -6.727 1.00 70.25 C ATOM 369 O LYS A 26 -13.613 -15.059 -6.044 1.00 33.12 O ATOM 370 CB LYS A 26 -16.058 -16.960 -5.389 1.00 33.14 C ATOM 371 CG LYS A 26 -17.060 -16.407 -4.392 1.00 62.42 C ATOM 372 CD LYS A 26 -16.647 -16.706 -2.961 1.00 55.23 C ATOM 373 CE LYS A 26 -15.552 -15.763 -2.488 1.00 45.21 C ATOM 374 NZ LYS A 26 -15.546 -15.618 -1.006 1.00 64.44 N ATOM 0 H LYS A 26 -16.088 -17.432 -8.054 1.00 21.24 H new ATOM 0 HA LYS A 26 -16.179 -15.027 -6.326 1.00 63.03 H new ATOM 0 HB2 LYS A 26 -16.437 -17.900 -5.789 1.00 33.14 H new ATOM 0 HB3 LYS A 26 -15.128 -17.187 -4.868 1.00 33.14 H new ATOM 0 HG2 LYS A 26 -17.152 -15.329 -4.527 1.00 62.42 H new ATOM 0 HG3 LYS A 26 -18.042 -16.838 -4.585 1.00 62.42 H new ATOM 0 HD2 LYS A 26 -17.513 -16.617 -2.305 1.00 55.23 H new ATOM 0 HD3 LYS A 26 -16.297 -17.736 -2.890 1.00 55.23 H new ATOM 0 HE2 LYS A 26 -14.583 -16.136 -2.820 1.00 45.21 H new ATOM 0 HE3 LYS A 26 -15.692 -14.785 -2.948 1.00 45.21 H new ATOM 0 HZ1 LYS A 26 -14.785 -14.967 -0.724 1.00 64.44 H new ATOM 0 HZ2 LYS A 26 -16.461 -15.238 -0.691 1.00 64.44 H new ATOM 0 HZ3 LYS A 26 -15.387 -16.547 -0.567 1.00 64.44 H new ATOM 388 N LYS A 27 -13.690 -16.636 -7.646 1.00 73.31 N ATOM 389 CA LYS A 27 -12.257 -16.591 -7.915 1.00 23.43 C ATOM 390 C LYS A 27 -11.798 -15.158 -8.173 1.00 54.11 C ATOM 391 O LYS A 27 -12.602 -14.292 -8.515 1.00 34.35 O ATOM 392 CB LYS A 27 -11.914 -17.471 -9.118 1.00 74.53 C ATOM 393 CG LYS A 27 -10.586 -18.195 -8.983 1.00 70.03 C ATOM 394 CD LYS A 27 -10.542 -19.446 -9.844 1.00 60.04 C ATOM 395 CE LYS A 27 -9.118 -19.796 -10.249 1.00 65.31 C ATOM 396 NZ LYS A 27 -8.882 -21.265 -10.234 1.00 32.13 N ATOM 0 H LYS A 27 -14.205 -17.305 -8.218 1.00 73.31 H new ATOM 0 HA LYS A 27 -11.736 -16.970 -7.036 1.00 23.43 H new ATOM 0 HB2 LYS A 27 -12.707 -18.206 -9.257 1.00 74.53 H new ATOM 0 HB3 LYS A 27 -11.892 -16.853 -10.015 1.00 74.53 H new ATOM 0 HG2 LYS A 27 -9.775 -17.526 -9.271 1.00 70.03 H new ATOM 0 HG3 LYS A 27 -10.422 -18.465 -7.940 1.00 70.03 H new ATOM 0 HD2 LYS A 27 -10.981 -20.281 -9.297 1.00 60.04 H new ATOM 0 HD3 LYS A 27 -11.149 -19.296 -10.737 1.00 60.04 H new ATOM 0 HE2 LYS A 27 -8.918 -19.406 -11.247 1.00 65.31 H new ATOM 0 HE3 LYS A 27 -8.418 -19.309 -9.571 1.00 65.31 H new ATOM 0 HZ1 LYS A 27 -7.900 -21.462 -10.516 1.00 32.13 H new ATOM 0 HZ2 LYS A 27 -9.048 -21.633 -9.276 1.00 32.13 H new ATOM 0 HZ3 LYS A 27 -9.533 -21.728 -10.900 1.00 32.13 H new ATOM 410 N GLN A 28 -10.502 -14.919 -8.008 1.00 40.31 N ATOM 411 CA GLN A 28 -9.937 -13.593 -8.223 1.00 12.24 C ATOM 412 C GLN A 28 -8.707 -13.664 -9.124 1.00 33.21 C ATOM 413 O GLN A 28 -8.263 -14.750 -9.501 1.00 61.34 O ATOM 414 CB GLN A 28 -9.566 -12.949 -6.887 1.00 60.42 C ATOM 415 CG GLN A 28 -10.757 -12.370 -6.140 1.00 30.34 C ATOM 416 CD GLN A 28 -10.675 -12.597 -4.644 1.00 50.23 C ATOM 417 OE1 GLN A 28 -10.284 -13.673 -4.189 1.00 62.32 O ATOM 418 NE2 GLN A 28 -11.043 -11.583 -3.869 1.00 53.15 N ATOM 0 H GLN A 28 -9.823 -15.626 -7.726 1.00 40.31 H new ATOM 0 HA GLN A 28 -10.693 -12.981 -8.716 1.00 12.24 H new ATOM 0 HB2 GLN A 28 -9.079 -13.693 -6.257 1.00 60.42 H new ATOM 0 HB3 GLN A 28 -8.839 -12.157 -7.064 1.00 60.42 H new ATOM 0 HG2 GLN A 28 -10.820 -11.300 -6.338 1.00 30.34 H new ATOM 0 HG3 GLN A 28 -11.674 -12.819 -6.522 1.00 30.34 H new ATOM 0 HE21 GLN A 28 -11.360 -10.709 -4.289 1.00 53.15 H new ATOM 0 HE22 GLN A 28 -11.008 -11.678 -2.854 1.00 53.15 H new ATOM 427 N TYR A 29 -8.163 -12.502 -9.467 1.00 73.12 N ATOM 428 CA TYR A 29 -6.987 -12.434 -10.326 1.00 12.22 C ATOM 429 C TYR A 29 -5.722 -12.219 -9.501 1.00 51.32 C ATOM 430 O TYR A 29 -5.549 -11.180 -8.865 1.00 2.14 O ATOM 431 CB TYR A 29 -7.141 -11.305 -11.347 1.00 12.23 C ATOM 432 CG TYR A 29 -7.715 -11.759 -12.670 1.00 61.34 C ATOM 433 CD1 TYR A 29 -6.904 -12.324 -13.645 1.00 10.32 C ATOM 434 CD2 TYR A 29 -9.071 -11.623 -12.943 1.00 72.52 C ATOM 435 CE1 TYR A 29 -7.425 -12.739 -14.856 1.00 53.25 C ATOM 436 CE2 TYR A 29 -9.601 -12.037 -14.149 1.00 33.34 C ATOM 437 CZ TYR A 29 -8.774 -12.595 -15.102 1.00 34.44 C ATOM 438 OH TYR A 29 -9.298 -13.008 -16.307 1.00 63.52 O ATOM 0 H TYR A 29 -8.517 -11.595 -9.164 1.00 73.12 H new ATOM 0 HA TYR A 29 -6.898 -13.383 -10.854 1.00 12.22 H new ATOM 0 HB2 TYR A 29 -7.785 -10.532 -10.927 1.00 12.23 H new ATOM 0 HB3 TYR A 29 -6.167 -10.848 -11.521 1.00 12.23 H new ATOM 0 HD1 TYR A 29 -5.848 -12.441 -13.454 1.00 10.32 H new ATOM 0 HD2 TYR A 29 -9.721 -11.186 -12.199 1.00 72.52 H new ATOM 0 HE1 TYR A 29 -6.779 -13.173 -15.605 1.00 53.25 H new ATOM 0 HE2 TYR A 29 -10.657 -11.925 -14.345 1.00 33.34 H new ATOM 0 HH TYR A 29 -10.153 -12.556 -16.464 1.00 63.52 H new ATOM 448 N LYS A 30 -4.837 -13.212 -9.516 1.00 20.43 N ATOM 449 CA LYS A 30 -3.586 -13.133 -8.773 1.00 74.11 C ATOM 450 C LYS A 30 -2.394 -13.049 -9.721 1.00 42.33 C ATOM 451 O LYS A 30 -2.561 -12.908 -10.933 1.00 42.41 O ATOM 452 CB LYS A 30 -3.437 -14.351 -7.856 1.00 22.25 C ATOM 453 CG LYS A 30 -3.277 -13.992 -6.390 1.00 0.22 C ATOM 454 CD LYS A 30 -3.190 -15.233 -5.518 1.00 52.43 C ATOM 455 CE LYS A 30 -3.381 -14.896 -4.047 1.00 31.50 C ATOM 456 NZ LYS A 30 -2.123 -14.402 -3.423 1.00 12.31 N ATOM 0 H LYS A 30 -4.965 -14.081 -10.035 1.00 20.43 H new ATOM 0 HA LYS A 30 -3.609 -12.228 -8.166 1.00 74.11 H new ATOM 0 HB2 LYS A 30 -4.312 -14.991 -7.971 1.00 22.25 H new ATOM 0 HB3 LYS A 30 -2.572 -14.932 -8.176 1.00 22.25 H new ATOM 0 HG2 LYS A 30 -2.378 -13.390 -6.258 1.00 0.22 H new ATOM 0 HG3 LYS A 30 -4.120 -13.380 -6.070 1.00 0.22 H new ATOM 0 HD2 LYS A 30 -3.949 -15.951 -5.829 1.00 52.43 H new ATOM 0 HD3 LYS A 30 -2.221 -15.711 -5.660 1.00 52.43 H new ATOM 0 HE2 LYS A 30 -4.158 -14.138 -3.946 1.00 31.50 H new ATOM 0 HE3 LYS A 30 -3.728 -15.781 -3.514 1.00 31.50 H new ATOM 0 HZ1 LYS A 30 -2.295 -14.183 -2.421 1.00 12.31 H new ATOM 0 HZ2 LYS A 30 -1.388 -15.134 -3.496 1.00 12.31 H new ATOM 0 HZ3 LYS A 30 -1.806 -13.543 -3.915 1.00 12.31 H new ATOM 470 N LEU A 31 -1.192 -13.136 -9.162 1.00 74.44 N ATOM 471 CA LEU A 31 0.028 -13.071 -9.958 1.00 54.33 C ATOM 472 C LEU A 31 0.143 -14.280 -10.880 1.00 74.22 C ATOM 473 O LEU A 31 0.673 -14.184 -11.987 1.00 10.34 O ATOM 474 CB LEU A 31 1.253 -12.994 -9.045 1.00 42.21 C ATOM 475 CG LEU A 31 1.671 -11.592 -8.599 1.00 14.11 C ATOM 476 CD1 LEU A 31 2.425 -11.655 -7.280 1.00 24.11 C ATOM 477 CD2 LEU A 31 2.521 -10.924 -9.670 1.00 72.04 C ATOM 0 H LEU A 31 -1.036 -13.252 -8.161 1.00 74.44 H new ATOM 0 HA LEU A 31 -0.017 -12.172 -10.573 1.00 54.33 H new ATOM 0 HB2 LEU A 31 1.057 -13.593 -8.156 1.00 42.21 H new ATOM 0 HB3 LEU A 31 2.095 -13.456 -9.561 1.00 42.21 H new ATOM 0 HG LEU A 31 0.772 -10.994 -8.452 1.00 14.11 H new ATOM 0 HD11 LEU A 31 2.715 -10.649 -6.978 1.00 24.11 H new ATOM 0 HD12 LEU A 31 1.784 -12.093 -6.515 1.00 24.11 H new ATOM 0 HD13 LEU A 31 3.318 -12.269 -7.400 1.00 24.11 H new ATOM 0 HD21 LEU A 31 2.810 -9.927 -9.336 1.00 72.04 H new ATOM 0 HD22 LEU A 31 3.416 -11.520 -9.849 1.00 72.04 H new ATOM 0 HD23 LEU A 31 1.947 -10.845 -10.593 1.00 72.04 H new ATOM 489 N LYS A 32 -0.360 -15.420 -10.417 1.00 34.43 N ATOM 490 CA LYS A 32 -0.318 -16.649 -11.201 1.00 52.12 C ATOM 491 C LYS A 32 -0.890 -16.424 -12.597 1.00 12.42 C ATOM 492 O LYS A 32 -0.382 -16.964 -13.581 1.00 23.32 O ATOM 493 CB LYS A 32 -1.099 -17.758 -10.490 1.00 32.35 C ATOM 494 CG LYS A 32 -0.452 -18.227 -9.200 1.00 44.22 C ATOM 495 CD LYS A 32 -0.117 -19.708 -9.250 1.00 64.11 C ATOM 496 CE LYS A 32 0.631 -20.152 -8.002 1.00 75.04 C ATOM 497 NZ LYS A 32 -0.117 -21.198 -7.250 1.00 40.24 N ATOM 0 H LYS A 32 -0.801 -15.518 -9.503 1.00 34.43 H new ATOM 0 HA LYS A 32 0.724 -16.952 -11.300 1.00 52.12 H new ATOM 0 HB2 LYS A 32 -2.105 -17.400 -10.272 1.00 32.35 H new ATOM 0 HB3 LYS A 32 -1.202 -18.608 -11.165 1.00 32.35 H new ATOM 0 HG2 LYS A 32 0.457 -17.653 -9.018 1.00 44.22 H new ATOM 0 HG3 LYS A 32 -1.124 -18.033 -8.364 1.00 44.22 H new ATOM 0 HD2 LYS A 32 -1.035 -20.287 -9.351 1.00 64.11 H new ATOM 0 HD3 LYS A 32 0.489 -19.916 -10.132 1.00 64.11 H new ATOM 0 HE2 LYS A 32 1.611 -20.538 -8.284 1.00 75.04 H new ATOM 0 HE3 LYS A 32 0.801 -19.291 -7.355 1.00 75.04 H new ATOM 0 HZ1 LYS A 32 0.425 -21.474 -6.407 1.00 40.24 H new ATOM 0 HZ2 LYS A 32 -1.042 -20.822 -6.959 1.00 40.24 H new ATOM 0 HZ3 LYS A 32 -0.258 -22.030 -7.859 1.00 40.24 H new ATOM 511 N HIS A 33 -1.948 -15.623 -12.676 1.00 55.00 N ATOM 512 CA HIS A 33 -2.587 -15.325 -13.953 1.00 32.11 C ATOM 513 C HIS A 33 -1.732 -14.365 -14.777 1.00 64.55 C ATOM 514 O HIS A 33 -1.710 -14.532 -15.997 1.00 71.35 O ATOM 515 CB HIS A 33 -3.975 -14.723 -13.726 1.00 42.25 C ATOM 516 CG HIS A 33 -4.868 -15.581 -12.884 1.00 62.13 C ATOM 517 ND1 HIS A 33 -5.310 -15.208 -11.633 1.00 43.22 N ATOM 518 CD2 HIS A 33 -5.404 -16.802 -13.122 1.00 22.22 C ATOM 519 CE1 HIS A 33 -6.078 -16.161 -11.136 1.00 73.25 C ATOM 520 NE2 HIS A 33 -6.152 -17.140 -12.022 1.00 40.22 N ATOM 0 H HIS A 33 -2.381 -15.169 -11.872 1.00 55.00 H new ATOM 0 HA HIS A 33 -2.691 -16.259 -14.506 1.00 32.11 H new ATOM 0 HB2 HIS A 33 -3.866 -13.749 -13.250 1.00 42.25 H new ATOM 0 HB3 HIS A 33 -4.452 -14.554 -14.692 1.00 42.25 H new ATOM 0 HD2 HIS A 33 -5.268 -17.399 -14.012 1.00 22.22 H new ATOM 0 HE1 HIS A 33 -6.563 -16.144 -10.171 1.00 73.25 H new ATOM 0 HE2 HIS A 33 -6.679 -18.006 -11.907 1.00 40.22 H new ATOM 528 N ILE A 34 -1.054 -13.400 -14.165 1.00 12.22 N ATOM 529 CA ILE A 34 -0.225 -12.460 -14.910 1.00 54.13 C ATOM 530 C ILE A 34 0.935 -13.175 -15.595 1.00 51.25 C ATOM 531 O ILE A 34 1.315 -12.833 -16.715 1.00 13.41 O ATOM 532 CB ILE A 34 0.336 -11.356 -13.994 1.00 34.53 C ATOM 533 CG1 ILE A 34 -0.801 -10.658 -13.245 1.00 52.23 C ATOM 534 CG2 ILE A 34 1.137 -10.351 -14.808 1.00 54.42 C ATOM 535 CD1 ILE A 34 -0.323 -9.724 -12.156 1.00 72.10 C ATOM 0 H ILE A 34 -1.062 -13.248 -13.156 1.00 12.22 H new ATOM 0 HA ILE A 34 -0.865 -12.004 -15.665 1.00 54.13 H new ATOM 0 HB ILE A 34 1.001 -11.814 -13.261 1.00 34.53 H new ATOM 0 HG12 ILE A 34 -1.403 -10.094 -13.958 1.00 52.23 H new ATOM 0 HG13 ILE A 34 -1.453 -11.413 -12.805 1.00 52.23 H new ATOM 0 HG21 ILE A 34 1.527 -9.577 -14.148 1.00 54.42 H new ATOM 0 HG22 ILE A 34 1.966 -10.860 -15.300 1.00 54.42 H new ATOM 0 HG23 ILE A 34 0.493 -9.896 -15.560 1.00 54.42 H new ATOM 0 HD11 ILE A 34 -1.182 -9.264 -11.668 1.00 72.10 H new ATOM 0 HD12 ILE A 34 0.254 -10.286 -11.422 1.00 72.10 H new ATOM 0 HD13 ILE A 34 0.305 -8.947 -12.593 1.00 72.10 H new ATOM 547 N VAL A 35 1.494 -14.172 -14.916 1.00 72.44 N ATOM 548 CA VAL A 35 2.608 -14.939 -15.459 1.00 22.34 C ATOM 549 C VAL A 35 2.125 -15.968 -16.475 1.00 21.33 C ATOM 550 O VAL A 35 2.782 -16.213 -17.487 1.00 22.42 O ATOM 551 CB VAL A 35 3.390 -15.661 -14.346 1.00 62.33 C ATOM 552 CG1 VAL A 35 4.529 -16.478 -14.936 1.00 2.10 C ATOM 553 CG2 VAL A 35 3.913 -14.660 -13.327 1.00 25.53 C ATOM 0 H VAL A 35 1.193 -14.467 -13.987 1.00 72.44 H new ATOM 0 HA VAL A 35 3.269 -14.227 -15.953 1.00 22.34 H new ATOM 0 HB VAL A 35 2.712 -16.345 -13.835 1.00 62.33 H new ATOM 0 HG11 VAL A 35 5.070 -16.981 -14.134 1.00 2.10 H new ATOM 0 HG12 VAL A 35 4.125 -17.222 -15.623 1.00 2.10 H new ATOM 0 HG13 VAL A 35 5.209 -15.818 -15.474 1.00 2.10 H new ATOM 0 HG21 VAL A 35 4.463 -15.188 -12.548 1.00 25.53 H new ATOM 0 HG22 VAL A 35 4.576 -13.950 -13.822 1.00 25.53 H new ATOM 0 HG23 VAL A 35 3.075 -14.124 -12.880 1.00 25.53 H new ATOM 563 N TRP A 36 0.972 -16.566 -16.199 1.00 60.41 N ATOM 564 CA TRP A 36 0.399 -17.569 -17.089 1.00 34.22 C ATOM 565 C TRP A 36 0.209 -17.006 -18.494 1.00 61.14 C ATOM 566 O TRP A 36 0.399 -17.709 -19.485 1.00 53.23 O ATOM 567 CB TRP A 36 -0.939 -18.065 -16.539 1.00 30.23 C ATOM 568 CG TRP A 36 -1.655 -18.998 -17.469 1.00 74.23 C ATOM 569 CD1 TRP A 36 -1.667 -20.363 -17.412 1.00 45.52 C ATOM 570 CD2 TRP A 36 -2.460 -18.635 -18.596 1.00 43.15 C ATOM 571 NE1 TRP A 36 -2.431 -20.870 -18.435 1.00 23.41 N ATOM 572 CE2 TRP A 36 -2.929 -19.831 -19.175 1.00 22.02 C ATOM 573 CE3 TRP A 36 -2.832 -17.417 -19.170 1.00 2.45 C ATOM 574 CZ2 TRP A 36 -3.749 -19.840 -20.300 1.00 65.05 C ATOM 575 CZ3 TRP A 36 -3.646 -17.429 -20.287 1.00 2.44 C ATOM 576 CH2 TRP A 36 -4.098 -18.633 -20.842 1.00 31.20 C ATOM 0 H TRP A 36 0.415 -16.374 -15.366 1.00 60.41 H new ATOM 0 HA TRP A 36 1.093 -18.407 -17.145 1.00 34.22 H new ATOM 0 HB2 TRP A 36 -0.768 -18.571 -15.589 1.00 30.23 H new ATOM 0 HB3 TRP A 36 -1.579 -17.207 -16.333 1.00 30.23 H new ATOM 0 HD1 TRP A 36 -1.151 -20.956 -16.671 1.00 45.52 H new ATOM 0 HE1 TRP A 36 -2.600 -21.860 -18.614 1.00 23.41 H new ATOM 0 HE3 TRP A 36 -2.490 -16.483 -18.749 1.00 2.45 H new ATOM 0 HZ2 TRP A 36 -4.098 -20.767 -20.730 1.00 65.05 H new ATOM 0 HZ3 TRP A 36 -3.939 -16.493 -20.740 1.00 2.44 H new ATOM 0 HH2 TRP A 36 -4.734 -18.608 -21.714 1.00 31.20 H new ATOM 587 N ALA A 37 -0.167 -15.733 -18.569 1.00 73.51 N ATOM 588 CA ALA A 37 -0.381 -15.076 -19.852 1.00 32.33 C ATOM 589 C ALA A 37 0.939 -14.613 -20.459 1.00 31.10 C ATOM 590 O ALA A 37 1.080 -14.537 -21.680 1.00 74.13 O ATOM 591 CB ALA A 37 -1.330 -13.898 -19.691 1.00 65.54 C ATOM 0 H ALA A 37 -0.329 -15.137 -17.757 1.00 73.51 H new ATOM 0 HA ALA A 37 -0.830 -15.800 -20.531 1.00 32.33 H new ATOM 0 HB1 ALA A 37 -1.480 -13.417 -20.658 1.00 65.54 H new ATOM 0 HB2 ALA A 37 -2.288 -14.252 -19.309 1.00 65.54 H new ATOM 0 HB3 ALA A 37 -0.903 -13.180 -18.991 1.00 65.54 H new ATOM 597 N SER A 38 1.905 -14.304 -19.599 1.00 61.54 N ATOM 598 CA SER A 38 3.212 -13.844 -20.050 1.00 13.22 C ATOM 599 C SER A 38 3.939 -14.942 -20.820 1.00 74.44 C ATOM 600 O SER A 38 4.572 -14.684 -21.843 1.00 34.01 O ATOM 601 CB SER A 38 4.059 -13.397 -18.857 1.00 73.53 C ATOM 602 OG SER A 38 3.471 -12.286 -18.203 1.00 24.13 O ATOM 0 H SER A 38 1.806 -14.364 -18.586 1.00 61.54 H new ATOM 0 HA SER A 38 3.060 -12.996 -20.717 1.00 13.22 H new ATOM 0 HB2 SER A 38 4.166 -14.222 -18.153 1.00 73.53 H new ATOM 0 HB3 SER A 38 5.061 -13.135 -19.196 1.00 73.53 H new ATOM 0 HG SER A 38 2.843 -12.603 -17.521 1.00 24.13 H new ATOM 608 N ARG A 39 3.841 -16.171 -20.320 1.00 31.43 N ATOM 609 CA ARG A 39 4.488 -17.309 -20.960 1.00 53.35 C ATOM 610 C ARG A 39 3.837 -17.622 -22.303 1.00 73.44 C ATOM 611 O ARG A 39 4.502 -18.065 -23.238 1.00 72.51 O ATOM 612 CB ARG A 39 4.423 -18.538 -20.050 1.00 4.54 C ATOM 613 CG ARG A 39 5.656 -18.718 -19.180 1.00 11.23 C ATOM 614 CD ARG A 39 6.549 -19.834 -19.704 1.00 24.33 C ATOM 615 NE ARG A 39 7.343 -20.443 -18.641 1.00 3.54 N ATOM 616 CZ ARG A 39 8.130 -21.497 -18.824 1.00 33.00 C ATOM 617 NH1 ARG A 39 8.227 -22.055 -20.023 1.00 11.23 N ATOM 618 NH2 ARG A 39 8.823 -21.995 -17.808 1.00 23.24 N ATOM 0 H ARG A 39 3.320 -16.403 -19.474 1.00 31.43 H new ATOM 0 HA ARG A 39 5.532 -17.049 -21.135 1.00 53.35 H new ATOM 0 HB2 ARG A 39 3.545 -18.459 -19.409 1.00 4.54 H new ATOM 0 HB3 ARG A 39 4.290 -19.428 -20.665 1.00 4.54 H new ATOM 0 HG2 ARG A 39 6.219 -17.785 -19.147 1.00 11.23 H new ATOM 0 HG3 ARG A 39 5.352 -18.943 -18.158 1.00 11.23 H new ATOM 0 HD2 ARG A 39 5.934 -20.598 -20.180 1.00 24.33 H new ATOM 0 HD3 ARG A 39 7.214 -19.437 -20.471 1.00 24.33 H new ATOM 0 HE ARG A 39 7.290 -20.037 -17.707 1.00 3.54 H new ATOM 0 HH11 ARG A 39 7.697 -21.675 -20.807 1.00 11.23 H new ATOM 0 HH12 ARG A 39 8.832 -22.864 -20.161 1.00 11.23 H new ATOM 0 HH21 ARG A 39 8.752 -21.568 -16.884 1.00 23.24 H new ATOM 0 HH22 ARG A 39 9.427 -22.805 -17.951 1.00 23.24 H new ATOM 632 N GLU A 40 2.530 -17.391 -22.388 1.00 14.23 N ATOM 633 CA GLU A 40 1.788 -17.650 -23.617 1.00 42.20 C ATOM 634 C GLU A 40 1.998 -16.525 -24.627 1.00 71.23 C ATOM 635 O GLU A 40 1.887 -16.733 -25.836 1.00 42.42 O ATOM 636 CB GLU A 40 0.296 -17.808 -23.315 1.00 13.42 C ATOM 637 CG GLU A 40 -0.382 -18.884 -24.145 1.00 53.20 C ATOM 638 CD GLU A 40 -0.286 -18.620 -25.635 1.00 4.25 C ATOM 639 OE1 GLU A 40 -1.074 -17.796 -26.144 1.00 4.23 O ATOM 640 OE2 GLU A 40 0.579 -19.238 -26.291 1.00 33.14 O ATOM 0 H GLU A 40 1.964 -17.026 -21.622 1.00 14.23 H new ATOM 0 HA GLU A 40 2.164 -18.577 -24.049 1.00 42.20 H new ATOM 0 HB2 GLU A 40 0.171 -18.043 -22.258 1.00 13.42 H new ATOM 0 HB3 GLU A 40 -0.205 -16.856 -23.491 1.00 13.42 H new ATOM 0 HG2 GLU A 40 0.071 -19.850 -23.921 1.00 53.20 H new ATOM 0 HG3 GLU A 40 -1.432 -18.951 -23.859 1.00 53.20 H new ATOM 647 N LEU A 41 2.298 -15.334 -24.122 1.00 13.53 N ATOM 648 CA LEU A 41 2.524 -14.175 -24.978 1.00 32.54 C ATOM 649 C LEU A 41 3.800 -14.340 -25.797 1.00 74.34 C ATOM 650 O LEU A 41 3.789 -14.194 -27.018 1.00 3.23 O ATOM 651 CB LEU A 41 2.606 -12.901 -24.135 1.00 0.14 C ATOM 652 CG LEU A 41 1.311 -12.100 -23.999 1.00 71.35 C ATOM 653 CD1 LEU A 41 1.521 -10.893 -23.098 1.00 53.32 C ATOM 654 CD2 LEU A 41 0.806 -11.666 -25.367 1.00 32.23 C ATOM 0 H LEU A 41 2.390 -15.145 -23.124 1.00 13.53 H new ATOM 0 HA LEU A 41 1.682 -14.095 -25.666 1.00 32.54 H new ATOM 0 HB2 LEU A 41 2.948 -13.172 -23.136 1.00 0.14 H new ATOM 0 HB3 LEU A 41 3.367 -12.252 -24.568 1.00 0.14 H new ATOM 0 HG LEU A 41 0.557 -12.741 -23.542 1.00 71.35 H new ATOM 0 HD11 LEU A 41 0.588 -10.335 -23.013 1.00 53.32 H new ATOM 0 HD12 LEU A 41 1.835 -11.227 -22.109 1.00 53.32 H new ATOM 0 HD13 LEU A 41 2.291 -10.250 -23.525 1.00 53.32 H new ATOM 0 HD21 LEU A 41 -0.116 -11.097 -25.251 1.00 32.23 H new ATOM 0 HD22 LEU A 41 1.558 -11.043 -25.852 1.00 32.23 H new ATOM 0 HD23 LEU A 41 0.614 -12.547 -25.980 1.00 32.23 H new ATOM 666 N GLU A 42 4.897 -14.650 -25.114 1.00 1.44 N ATOM 667 CA GLU A 42 6.183 -14.838 -25.779 1.00 63.41 C ATOM 668 C GLU A 42 6.076 -15.889 -26.880 1.00 53.35 C ATOM 669 O GLU A 42 6.838 -15.870 -27.846 1.00 2.34 O ATOM 670 CB GLU A 42 7.251 -15.251 -24.764 1.00 12.20 C ATOM 671 CG GLU A 42 8.348 -14.216 -24.580 1.00 10.22 C ATOM 672 CD GLU A 42 9.640 -14.607 -25.271 1.00 23.22 C ATOM 673 OE1 GLU A 42 9.623 -14.773 -26.509 1.00 11.10 O ATOM 674 OE2 GLU A 42 10.667 -14.746 -24.575 1.00 14.35 O ATOM 0 H GLU A 42 4.922 -14.776 -24.102 1.00 1.44 H new ATOM 0 HA GLU A 42 6.472 -13.890 -26.233 1.00 63.41 H new ATOM 0 HB2 GLU A 42 6.773 -15.437 -23.802 1.00 12.20 H new ATOM 0 HB3 GLU A 42 7.700 -16.191 -25.084 1.00 12.20 H new ATOM 0 HG2 GLU A 42 8.007 -13.257 -24.971 1.00 10.22 H new ATOM 0 HG3 GLU A 42 8.537 -14.078 -23.515 1.00 10.22 H new ATOM 681 N ARG A 43 5.127 -16.806 -26.725 1.00 1.31 N ATOM 682 CA ARG A 43 4.923 -17.867 -27.704 1.00 0.21 C ATOM 683 C ARG A 43 4.342 -17.306 -28.998 1.00 75.23 C ATOM 684 O ARG A 43 4.555 -17.859 -30.078 1.00 43.14 O ATOM 685 CB ARG A 43 3.992 -18.940 -27.137 1.00 51.54 C ATOM 686 CG ARG A 43 3.975 -20.224 -27.952 1.00 10.24 C ATOM 687 CD ARG A 43 5.350 -20.872 -27.999 1.00 41.22 C ATOM 688 NE ARG A 43 5.270 -22.308 -28.250 1.00 43.53 N ATOM 689 CZ ARG A 43 6.325 -23.115 -28.243 1.00 70.42 C ATOM 690 NH1 ARG A 43 7.535 -22.629 -28.000 1.00 74.34 N ATOM 691 NH2 ARG A 43 6.171 -24.412 -28.480 1.00 55.00 N ATOM 0 H ARG A 43 4.487 -16.836 -25.931 1.00 1.31 H new ATOM 0 HA ARG A 43 5.891 -18.316 -27.925 1.00 0.21 H new ATOM 0 HB2 ARG A 43 4.297 -19.171 -26.116 1.00 51.54 H new ATOM 0 HB3 ARG A 43 2.980 -18.540 -27.084 1.00 51.54 H new ATOM 0 HG2 ARG A 43 3.258 -20.921 -27.520 1.00 10.24 H new ATOM 0 HG3 ARG A 43 3.638 -20.008 -28.966 1.00 10.24 H new ATOM 0 HD2 ARG A 43 5.947 -20.400 -28.780 1.00 41.22 H new ATOM 0 HD3 ARG A 43 5.866 -20.697 -27.055 1.00 41.22 H new ATOM 0 HE ARG A 43 4.354 -22.714 -28.441 1.00 43.53 H new ATOM 0 HH11 ARG A 43 7.657 -21.633 -27.818 1.00 74.34 H new ATOM 0 HH12 ARG A 43 8.343 -23.251 -27.995 1.00 74.34 H new ATOM 0 HH21 ARG A 43 5.242 -24.789 -28.668 1.00 55.00 H new ATOM 0 HH22 ARG A 43 6.982 -25.031 -28.475 1.00 55.00 H new ATOM 705 N PHE A 44 3.605 -16.206 -28.883 1.00 11.33 N ATOM 706 CA PHE A 44 2.992 -15.572 -30.044 1.00 62.32 C ATOM 707 C PHE A 44 3.865 -14.435 -30.568 1.00 45.24 C ATOM 708 O PHE A 44 3.369 -13.484 -31.170 1.00 31.31 O ATOM 709 CB PHE A 44 1.603 -15.040 -29.686 1.00 61.33 C ATOM 710 CG PHE A 44 0.520 -16.076 -29.782 1.00 13.21 C ATOM 711 CD1 PHE A 44 0.556 -17.210 -28.986 1.00 33.35 C ATOM 712 CD2 PHE A 44 -0.533 -15.918 -30.669 1.00 44.11 C ATOM 713 CE1 PHE A 44 -0.438 -18.166 -29.074 1.00 62.42 C ATOM 714 CE2 PHE A 44 -1.531 -16.870 -30.759 1.00 14.31 C ATOM 715 CZ PHE A 44 -1.484 -17.995 -29.960 1.00 54.20 C ATOM 0 H PHE A 44 3.418 -15.735 -27.998 1.00 11.33 H new ATOM 0 HA PHE A 44 2.896 -16.323 -30.828 1.00 62.32 H new ATOM 0 HB2 PHE A 44 1.626 -14.643 -28.671 1.00 61.33 H new ATOM 0 HB3 PHE A 44 1.359 -14.209 -30.348 1.00 61.33 H new ATOM 0 HD1 PHE A 44 1.370 -17.348 -28.289 1.00 33.35 H new ATOM 0 HD2 PHE A 44 -0.574 -15.041 -31.297 1.00 44.11 H new ATOM 0 HE1 PHE A 44 -0.397 -19.047 -28.450 1.00 62.42 H new ATOM 0 HE2 PHE A 44 -2.347 -16.734 -31.454 1.00 14.31 H new ATOM 0 HZ PHE A 44 -2.263 -18.740 -30.028 1.00 54.20 H new ATOM 725 N ALA A 45 5.169 -14.541 -30.331 1.00 74.30 N ATOM 726 CA ALA A 45 6.111 -13.524 -30.780 1.00 53.41 C ATOM 727 C ALA A 45 5.847 -12.190 -30.092 1.00 62.03 C ATOM 728 O ALA A 45 6.241 -11.134 -30.589 1.00 13.43 O ATOM 729 CB ALA A 45 6.037 -13.365 -32.291 1.00 34.33 C ATOM 0 H ALA A 45 5.596 -15.321 -29.831 1.00 74.30 H new ATOM 0 HA ALA A 45 7.115 -13.850 -30.510 1.00 53.41 H new ATOM 0 HB1 ALA A 45 6.746 -12.602 -32.612 1.00 34.33 H new ATOM 0 HB2 ALA A 45 6.283 -14.313 -32.769 1.00 34.33 H new ATOM 0 HB3 ALA A 45 5.028 -13.066 -32.576 1.00 34.33 H new ATOM 735 N VAL A 46 5.177 -12.242 -28.944 1.00 13.31 N ATOM 736 CA VAL A 46 4.860 -11.037 -28.188 1.00 53.21 C ATOM 737 C VAL A 46 5.508 -11.069 -26.808 1.00 11.31 C ATOM 738 O VAL A 46 5.172 -11.907 -25.972 1.00 41.00 O ATOM 739 CB VAL A 46 3.339 -10.860 -28.025 1.00 43.22 C ATOM 740 CG1 VAL A 46 3.032 -9.621 -27.198 1.00 71.20 C ATOM 741 CG2 VAL A 46 2.663 -10.786 -29.385 1.00 1.03 C ATOM 0 H VAL A 46 4.844 -13.107 -28.518 1.00 13.31 H new ATOM 0 HA VAL A 46 5.257 -10.194 -28.754 1.00 53.21 H new ATOM 0 HB VAL A 46 2.944 -11.727 -27.496 1.00 43.22 H new ATOM 0 HG11 VAL A 46 1.953 -9.512 -27.093 1.00 71.20 H new ATOM 0 HG12 VAL A 46 3.484 -9.721 -26.211 1.00 71.20 H new ATOM 0 HG13 VAL A 46 3.439 -8.741 -27.696 1.00 71.20 H new ATOM 0 HG21 VAL A 46 1.589 -10.661 -29.251 1.00 1.03 H new ATOM 0 HG22 VAL A 46 3.060 -9.938 -29.943 1.00 1.03 H new ATOM 0 HG23 VAL A 46 2.855 -11.706 -29.937 1.00 1.03 H new ATOM 751 N ASN A 47 6.440 -10.150 -26.576 1.00 51.01 N ATOM 752 CA ASN A 47 7.136 -10.072 -25.298 1.00 64.24 C ATOM 753 C ASN A 47 6.159 -9.780 -24.163 1.00 24.24 C ATOM 754 O ASN A 47 5.183 -9.046 -24.325 1.00 43.10 O ATOM 755 CB ASN A 47 8.217 -8.990 -25.346 1.00 62.13 C ATOM 756 CG ASN A 47 9.617 -9.572 -25.364 1.00 55.03 C ATOM 757 OD1 ASN A 47 9.862 -10.610 -25.979 1.00 50.42 O ATOM 758 ND2 ASN A 47 10.544 -8.905 -24.687 1.00 4.01 N ATOM 0 H ASN A 47 6.730 -9.449 -27.257 1.00 51.01 H new ATOM 0 HA ASN A 47 7.606 -11.037 -25.110 1.00 64.24 H new ATOM 0 HB2 ASN A 47 8.071 -8.374 -26.233 1.00 62.13 H new ATOM 0 HB3 ASN A 47 8.110 -8.335 -24.482 1.00 62.13 H new ATOM 0 HD21 ASN A 47 11.504 -9.249 -24.662 1.00 4.01 H new ATOM 0 HD22 ASN A 47 10.296 -8.049 -24.191 1.00 4.01 H new ATOM 765 N PRO A 48 6.424 -10.367 -22.986 1.00 23.03 N ATOM 766 CA PRO A 48 5.581 -10.183 -21.801 1.00 22.35 C ATOM 767 C PRO A 48 5.681 -8.771 -21.232 1.00 74.12 C ATOM 768 O PRO A 48 4.879 -8.375 -20.388 1.00 22.22 O ATOM 769 CB PRO A 48 6.140 -11.202 -20.806 1.00 32.42 C ATOM 770 CG PRO A 48 7.555 -11.404 -21.225 1.00 14.05 C ATOM 771 CD PRO A 48 7.569 -11.254 -22.721 1.00 31.15 C ATOM 0 HA PRO A 48 4.524 -10.324 -22.027 1.00 22.35 H new ATOM 0 HB2 PRO A 48 6.079 -10.831 -19.783 1.00 32.42 H new ATOM 0 HB3 PRO A 48 5.580 -12.136 -20.840 1.00 32.42 H new ATOM 0 HG2 PRO A 48 8.210 -10.672 -20.753 1.00 14.05 H new ATOM 0 HG3 PRO A 48 7.913 -12.390 -20.928 1.00 14.05 H new ATOM 0 HD2 PRO A 48 8.504 -10.818 -23.072 1.00 31.15 H new ATOM 0 HD3 PRO A 48 7.457 -12.215 -23.222 1.00 31.15 H new ATOM 779 N GLY A 49 6.671 -8.017 -21.700 1.00 73.44 N ATOM 780 CA GLY A 49 6.856 -6.659 -21.226 1.00 42.51 C ATOM 781 C GLY A 49 5.717 -5.744 -21.627 1.00 13.21 C ATOM 782 O GLY A 49 5.563 -4.653 -21.076 1.00 54.30 O ATOM 0 H GLY A 49 7.348 -8.323 -22.399 1.00 73.44 H new ATOM 0 HA2 GLY A 49 6.947 -6.666 -20.140 1.00 42.51 H new ATOM 0 HA3 GLY A 49 7.792 -6.264 -21.622 1.00 42.51 H new ATOM 786 N LEU A 50 4.917 -6.187 -22.590 1.00 20.34 N ATOM 787 CA LEU A 50 3.785 -5.399 -23.067 1.00 22.12 C ATOM 788 C LEU A 50 2.640 -5.425 -22.060 1.00 73.33 C ATOM 789 O LEU A 50 1.809 -4.517 -22.023 1.00 33.44 O ATOM 790 CB LEU A 50 3.303 -5.928 -24.419 1.00 25.14 C ATOM 791 CG LEU A 50 4.368 -6.052 -25.509 1.00 31.33 C ATOM 792 CD1 LEU A 50 3.743 -6.525 -26.813 1.00 55.20 C ATOM 793 CD2 LEU A 50 5.084 -4.724 -25.710 1.00 75.42 C ATOM 0 H LEU A 50 5.031 -7.087 -23.056 1.00 20.34 H new ATOM 0 HA LEU A 50 4.117 -4.367 -23.185 1.00 22.12 H new ATOM 0 HB2 LEU A 50 2.855 -6.909 -24.264 1.00 25.14 H new ATOM 0 HB3 LEU A 50 2.513 -5.271 -24.783 1.00 25.14 H new ATOM 0 HG LEU A 50 5.102 -6.792 -25.191 1.00 31.33 H new ATOM 0 HD11 LEU A 50 4.515 -6.608 -27.578 1.00 55.20 H new ATOM 0 HD12 LEU A 50 3.277 -7.499 -26.661 1.00 55.20 H new ATOM 0 HD13 LEU A 50 2.988 -5.808 -27.136 1.00 55.20 H new ATOM 0 HD21 LEU A 50 5.838 -4.832 -26.489 1.00 75.42 H new ATOM 0 HD22 LEU A 50 4.362 -3.963 -26.006 1.00 75.42 H new ATOM 0 HD23 LEU A 50 5.565 -4.425 -24.779 1.00 75.42 H new ATOM 805 N LEU A 51 2.603 -6.471 -21.243 1.00 74.44 N ATOM 806 CA LEU A 51 1.561 -6.616 -20.232 1.00 70.53 C ATOM 807 C LEU A 51 1.620 -5.476 -19.221 1.00 31.32 C ATOM 808 O LEU A 51 0.616 -5.137 -18.594 1.00 33.12 O ATOM 809 CB LEU A 51 1.703 -7.959 -19.513 1.00 41.20 C ATOM 810 CG LEU A 51 1.240 -9.191 -20.291 1.00 12.23 C ATOM 811 CD1 LEU A 51 2.145 -10.378 -19.999 1.00 0.12 C ATOM 812 CD2 LEU A 51 -0.205 -9.523 -19.954 1.00 73.13 C ATOM 0 H LEU A 51 3.282 -7.232 -21.260 1.00 74.44 H new ATOM 0 HA LEU A 51 0.595 -6.581 -20.735 1.00 70.53 H new ATOM 0 HB2 LEU A 51 2.751 -8.096 -19.246 1.00 41.20 H new ATOM 0 HB3 LEU A 51 1.140 -7.910 -18.581 1.00 41.20 H new ATOM 0 HG LEU A 51 1.301 -8.968 -21.356 1.00 12.23 H new ATOM 0 HD11 LEU A 51 1.800 -11.246 -20.561 1.00 0.12 H new ATOM 0 HD12 LEU A 51 3.167 -10.138 -20.293 1.00 0.12 H new ATOM 0 HD13 LEU A 51 2.118 -10.603 -18.933 1.00 0.12 H new ATOM 0 HD21 LEU A 51 -0.517 -10.403 -20.517 1.00 73.13 H new ATOM 0 HD22 LEU A 51 -0.292 -9.726 -18.887 1.00 73.13 H new ATOM 0 HD23 LEU A 51 -0.843 -8.679 -20.216 1.00 73.13 H new ATOM 824 N GLU A 52 2.801 -4.886 -19.072 1.00 41.55 N ATOM 825 CA GLU A 52 2.990 -3.782 -18.137 1.00 62.22 C ATOM 826 C GLU A 52 2.962 -2.442 -18.867 1.00 51.44 C ATOM 827 O GLU A 52 3.532 -1.455 -18.399 1.00 31.04 O ATOM 828 CB GLU A 52 4.315 -3.939 -17.388 1.00 73.12 C ATOM 829 CG GLU A 52 5.537 -3.863 -18.287 1.00 21.54 C ATOM 830 CD GLU A 52 6.689 -3.118 -17.644 1.00 23.02 C ATOM 831 OE1 GLU A 52 7.200 -3.595 -16.609 1.00 31.15 O ATOM 832 OE2 GLU A 52 7.081 -2.057 -18.175 1.00 40.05 O ATOM 0 H GLU A 52 3.641 -5.153 -19.586 1.00 41.55 H new ATOM 0 HA GLU A 52 2.171 -3.803 -17.418 1.00 62.22 H new ATOM 0 HB2 GLU A 52 4.386 -3.162 -16.627 1.00 73.12 H new ATOM 0 HB3 GLU A 52 4.317 -4.897 -16.867 1.00 73.12 H new ATOM 0 HG2 GLU A 52 5.859 -4.873 -18.542 1.00 21.54 H new ATOM 0 HG3 GLU A 52 5.266 -3.370 -19.221 1.00 21.54 H new ATOM 839 N THR A 53 2.295 -2.414 -20.016 1.00 1.02 N ATOM 840 CA THR A 53 2.193 -1.197 -20.811 1.00 31.14 C ATOM 841 C THR A 53 0.765 -0.974 -21.294 1.00 3.15 C ATOM 842 O THR A 53 0.184 -1.829 -21.962 1.00 13.31 O ATOM 843 CB THR A 53 3.133 -1.243 -22.031 1.00 3.20 C ATOM 844 OG1 THR A 53 2.617 -2.147 -23.014 1.00 60.21 O ATOM 845 CG2 THR A 53 4.532 -1.678 -21.620 1.00 21.12 C ATOM 0 H THR A 53 1.817 -3.221 -20.417 1.00 1.02 H new ATOM 0 HA THR A 53 2.488 -0.371 -20.164 1.00 31.14 H new ATOM 0 HB THR A 53 3.191 -0.240 -22.455 1.00 3.20 H new ATOM 0 HG1 THR A 53 2.078 -2.837 -22.573 1.00 60.21 H new ATOM 0 HG21 THR A 53 5.178 -1.703 -22.498 1.00 21.12 H new ATOM 0 HG22 THR A 53 4.934 -0.972 -20.894 1.00 21.12 H new ATOM 0 HG23 THR A 53 4.488 -2.671 -21.174 1.00 21.12 H new ATOM 853 N SER A 54 0.204 0.181 -20.952 1.00 22.34 N ATOM 854 CA SER A 54 -1.159 0.517 -21.347 1.00 34.41 C ATOM 855 C SER A 54 -1.309 0.478 -22.866 1.00 74.13 C ATOM 856 O SER A 54 -2.410 0.307 -23.387 1.00 71.44 O ATOM 857 CB SER A 54 -1.540 1.902 -20.822 1.00 42.41 C ATOM 858 OG SER A 54 -1.387 2.889 -21.827 1.00 2.32 O ATOM 0 H SER A 54 0.673 0.901 -20.402 1.00 22.34 H new ATOM 0 HA SER A 54 -1.829 -0.225 -20.912 1.00 34.41 H new ATOM 0 HB2 SER A 54 -2.573 1.891 -20.474 1.00 42.41 H new ATOM 0 HB3 SER A 54 -0.917 2.153 -19.964 1.00 42.41 H new ATOM 0 HG SER A 54 -1.639 3.765 -21.466 1.00 2.32 H new ATOM 864 N GLU A 55 -0.192 0.637 -23.569 1.00 42.30 N ATOM 865 CA GLU A 55 -0.199 0.621 -25.026 1.00 33.44 C ATOM 866 C GLU A 55 -0.124 -0.809 -25.555 1.00 24.21 C ATOM 867 O GLU A 55 -0.872 -1.189 -26.456 1.00 12.42 O ATOM 868 CB GLU A 55 0.971 1.440 -25.573 1.00 12.50 C ATOM 869 CG GLU A 55 0.560 2.789 -26.138 1.00 61.41 C ATOM 870 CD GLU A 55 1.729 3.745 -26.279 1.00 73.21 C ATOM 871 OE1 GLU A 55 2.694 3.620 -25.496 1.00 54.11 O ATOM 872 OE2 GLU A 55 1.679 4.616 -27.171 1.00 4.42 O ATOM 0 H GLU A 55 0.728 0.778 -23.153 1.00 42.30 H new ATOM 0 HA GLU A 55 -1.135 1.067 -25.364 1.00 33.44 H new ATOM 0 HB2 GLU A 55 1.698 1.596 -24.776 1.00 12.50 H new ATOM 0 HB3 GLU A 55 1.471 0.866 -26.353 1.00 12.50 H new ATOM 0 HG2 GLU A 55 0.095 2.644 -27.113 1.00 61.41 H new ATOM 0 HG3 GLU A 55 -0.193 3.236 -25.489 1.00 61.41 H new ATOM 879 N GLY A 56 0.784 -1.596 -24.987 1.00 75.42 N ATOM 880 CA GLY A 56 0.940 -2.975 -25.414 1.00 21.33 C ATOM 881 C GLY A 56 -0.307 -3.803 -25.171 1.00 52.51 C ATOM 882 O GLY A 56 -0.768 -4.519 -26.060 1.00 31.43 O ATOM 0 H GLY A 56 1.414 -1.304 -24.240 1.00 75.42 H new ATOM 0 HA2 GLY A 56 1.186 -2.998 -26.476 1.00 21.33 H new ATOM 0 HA3 GLY A 56 1.779 -3.424 -24.883 1.00 21.33 H new ATOM 886 N CYS A 57 -0.851 -3.707 -23.963 1.00 0.14 N ATOM 887 CA CYS A 57 -2.050 -4.456 -23.604 1.00 64.41 C ATOM 888 C CYS A 57 -3.158 -4.232 -24.629 1.00 22.02 C ATOM 889 O CYS A 57 -3.941 -5.137 -24.919 1.00 43.54 O ATOM 890 CB CYS A 57 -2.536 -4.044 -22.213 1.00 52.23 C ATOM 891 SG CYS A 57 -2.353 -5.332 -20.957 1.00 5.41 S ATOM 0 H CYS A 57 -0.481 -3.119 -23.216 1.00 0.14 H new ATOM 0 HA CYS A 57 -1.797 -5.516 -23.594 1.00 64.41 H new ATOM 0 HB2 CYS A 57 -1.985 -3.159 -21.894 1.00 52.23 H new ATOM 0 HB3 CYS A 57 -3.586 -3.759 -22.276 1.00 52.23 H new ATOM 0 HG CYS A 57 -2.789 -4.889 -19.815 1.00 5.41 H new ATOM 897 N ARG A 58 -3.218 -3.022 -25.172 1.00 4.35 N ATOM 898 CA ARG A 58 -4.231 -2.678 -26.163 1.00 22.52 C ATOM 899 C ARG A 58 -3.980 -3.413 -27.476 1.00 53.24 C ATOM 900 O ARG A 58 -4.900 -3.978 -28.067 1.00 51.20 O ATOM 901 CB ARG A 58 -4.246 -1.168 -26.407 1.00 15.33 C ATOM 902 CG ARG A 58 -5.507 -0.675 -27.097 1.00 3.15 C ATOM 903 CD ARG A 58 -5.202 0.448 -28.077 1.00 32.33 C ATOM 904 NE ARG A 58 -6.377 1.275 -28.344 1.00 10.43 N ATOM 905 CZ ARG A 58 -7.355 0.917 -29.168 1.00 43.32 C ATOM 906 NH1 ARG A 58 -7.301 -0.247 -29.801 1.00 13.43 N ATOM 907 NH2 ARG A 58 -8.391 1.723 -29.360 1.00 62.22 N ATOM 0 H ARG A 58 -2.577 -2.262 -24.943 1.00 4.35 H new ATOM 0 HA ARG A 58 -5.201 -2.986 -25.774 1.00 22.52 H new ATOM 0 HB2 ARG A 58 -4.140 -0.653 -25.452 1.00 15.33 H new ATOM 0 HB3 ARG A 58 -3.381 -0.898 -27.013 1.00 15.33 H new ATOM 0 HG2 ARG A 58 -5.981 -1.502 -27.625 1.00 3.15 H new ATOM 0 HG3 ARG A 58 -6.219 -0.324 -26.350 1.00 3.15 H new ATOM 0 HD2 ARG A 58 -4.403 1.072 -27.676 1.00 32.33 H new ATOM 0 HD3 ARG A 58 -4.837 0.024 -29.012 1.00 32.33 H new ATOM 0 HE ARG A 58 -6.450 2.176 -27.872 1.00 10.43 H new ATOM 0 HH11 ARG A 58 -6.507 -0.870 -29.656 1.00 13.43 H new ATOM 0 HH12 ARG A 58 -8.054 -0.519 -30.433 1.00 13.43 H new ATOM 0 HH21 ARG A 58 -8.437 2.619 -28.874 1.00 62.22 H new ATOM 0 HH22 ARG A 58 -9.142 1.447 -29.993 1.00 62.22 H new ATOM 921 N GLN A 59 -2.729 -3.403 -27.924 1.00 54.52 N ATOM 922 CA GLN A 59 -2.357 -4.069 -29.166 1.00 20.33 C ATOM 923 C GLN A 59 -2.620 -5.569 -29.081 1.00 43.24 C ATOM 924 O GLN A 59 -3.205 -6.159 -29.990 1.00 64.33 O ATOM 925 CB GLN A 59 -0.883 -3.815 -29.485 1.00 13.30 C ATOM 926 CG GLN A 59 -0.617 -3.535 -30.955 1.00 33.15 C ATOM 927 CD GLN A 59 -1.423 -2.363 -31.481 1.00 62.43 C ATOM 928 OE1 GLN A 59 -2.207 -2.506 -32.421 1.00 42.51 O ATOM 929 NE2 GLN A 59 -1.236 -1.196 -30.876 1.00 52.01 N ATOM 0 H GLN A 59 -1.956 -2.941 -27.445 1.00 54.52 H new ATOM 0 HA GLN A 59 -2.971 -3.656 -29.967 1.00 20.33 H new ATOM 0 HB2 GLN A 59 -0.533 -2.969 -28.894 1.00 13.30 H new ATOM 0 HB3 GLN A 59 -0.299 -4.682 -29.178 1.00 13.30 H new ATOM 0 HG2 GLN A 59 0.445 -3.333 -31.096 1.00 33.15 H new ATOM 0 HG3 GLN A 59 -0.853 -4.425 -31.539 1.00 33.15 H new ATOM 0 HE21 GLN A 59 -0.577 -1.123 -30.101 1.00 52.01 H new ATOM 0 HE22 GLN A 59 -1.752 -0.372 -31.186 1.00 52.01 H new ATOM 938 N ILE A 60 -2.185 -6.179 -27.984 1.00 4.31 N ATOM 939 CA ILE A 60 -2.375 -7.609 -27.780 1.00 52.52 C ATOM 940 C ILE A 60 -3.843 -7.996 -27.923 1.00 43.31 C ATOM 941 O ILE A 60 -4.167 -9.053 -28.465 1.00 31.51 O ATOM 942 CB ILE A 60 -1.872 -8.052 -26.393 1.00 10.31 C ATOM 943 CG1 ILE A 60 -0.395 -7.692 -26.223 1.00 12.51 C ATOM 944 CG2 ILE A 60 -2.084 -9.547 -26.204 1.00 2.44 C ATOM 945 CD1 ILE A 60 0.076 -7.733 -24.786 1.00 41.12 C ATOM 0 H ILE A 60 -1.699 -5.705 -27.223 1.00 4.31 H new ATOM 0 HA ILE A 60 -1.792 -8.116 -28.548 1.00 52.52 H new ATOM 0 HB ILE A 60 -2.445 -7.525 -25.630 1.00 10.31 H new ATOM 0 HG12 ILE A 60 0.209 -8.380 -26.814 1.00 12.51 H new ATOM 0 HG13 ILE A 60 -0.224 -6.693 -26.624 1.00 12.51 H new ATOM 0 HG21 ILE A 60 -1.723 -9.844 -25.219 1.00 2.44 H new ATOM 0 HG22 ILE A 60 -3.146 -9.777 -26.286 1.00 2.44 H new ATOM 0 HG23 ILE A 60 -1.534 -10.092 -26.971 1.00 2.44 H new ATOM 0 HD11 ILE A 60 1.132 -7.467 -24.742 1.00 41.12 H new ATOM 0 HD12 ILE A 60 -0.502 -7.024 -24.193 1.00 41.12 H new ATOM 0 HD13 ILE A 60 -0.062 -8.738 -24.386 1.00 41.12 H new ATOM 957 N LEU A 61 -4.726 -7.132 -27.435 1.00 50.42 N ATOM 958 CA LEU A 61 -6.161 -7.381 -27.510 1.00 22.21 C ATOM 959 C LEU A 61 -6.686 -7.121 -28.918 1.00 2.04 C ATOM 960 O LEU A 61 -7.695 -7.690 -29.331 1.00 54.14 O ATOM 961 CB LEU A 61 -6.905 -6.500 -26.505 1.00 2.33 C ATOM 962 CG LEU A 61 -6.542 -6.705 -25.034 1.00 11.43 C ATOM 963 CD1 LEU A 61 -6.900 -5.473 -24.218 1.00 30.53 C ATOM 964 CD2 LEU A 61 -7.242 -7.937 -24.479 1.00 40.11 C ATOM 0 H LEU A 61 -4.473 -6.253 -26.983 1.00 50.42 H new ATOM 0 HA LEU A 61 -6.336 -8.428 -27.265 1.00 22.21 H new ATOM 0 HB2 LEU A 61 -6.722 -5.457 -26.762 1.00 2.33 H new ATOM 0 HB3 LEU A 61 -7.975 -6.674 -26.622 1.00 2.33 H new ATOM 0 HG LEU A 61 -5.465 -6.861 -24.964 1.00 11.43 H new ATOM 0 HD11 LEU A 61 -6.634 -5.638 -23.174 1.00 30.53 H new ATOM 0 HD12 LEU A 61 -6.352 -4.612 -24.600 1.00 30.53 H new ATOM 0 HD13 LEU A 61 -7.971 -5.285 -24.294 1.00 30.53 H new ATOM 0 HD21 LEU A 61 -6.972 -8.068 -23.431 1.00 40.11 H new ATOM 0 HD22 LEU A 61 -8.321 -7.811 -24.563 1.00 40.11 H new ATOM 0 HD23 LEU A 61 -6.934 -8.816 -25.045 1.00 40.11 H new ATOM 976 N GLY A 62 -5.992 -6.257 -29.653 1.00 51.20 N ATOM 977 CA GLY A 62 -6.403 -5.938 -31.008 1.00 52.30 C ATOM 978 C GLY A 62 -6.218 -7.104 -31.959 1.00 71.32 C ATOM 979 O GLY A 62 -6.972 -7.253 -32.920 1.00 0.02 O ATOM 0 H GLY A 62 -5.153 -5.773 -29.334 1.00 51.20 H new ATOM 0 HA2 GLY A 62 -7.451 -5.638 -31.006 1.00 52.30 H new ATOM 0 HA3 GLY A 62 -5.828 -5.085 -31.368 1.00 52.30 H new ATOM 983 N GLN A 63 -5.214 -7.932 -31.691 1.00 63.53 N ATOM 984 CA GLN A 63 -4.933 -9.089 -32.532 1.00 41.35 C ATOM 985 C GLN A 63 -5.831 -10.265 -32.159 1.00 43.12 C ATOM 986 O GLN A 63 -6.242 -11.044 -33.020 1.00 42.02 O ATOM 987 CB GLN A 63 -3.464 -9.495 -32.404 1.00 53.12 C ATOM 988 CG GLN A 63 -2.608 -9.062 -33.583 1.00 42.30 C ATOM 989 CD GLN A 63 -2.132 -7.628 -33.463 1.00 41.54 C ATOM 990 OE1 GLN A 63 -1.047 -7.364 -32.944 1.00 21.13 O ATOM 991 NE2 GLN A 63 -2.942 -6.692 -33.944 1.00 62.00 N ATOM 0 H GLN A 63 -4.582 -7.823 -30.898 1.00 63.53 H new ATOM 0 HA GLN A 63 -5.138 -8.812 -33.566 1.00 41.35 H new ATOM 0 HB2 GLN A 63 -3.055 -9.063 -31.491 1.00 53.12 H new ATOM 0 HB3 GLN A 63 -3.403 -10.578 -32.300 1.00 53.12 H new ATOM 0 HG2 GLN A 63 -1.744 -9.722 -33.662 1.00 42.30 H new ATOM 0 HG3 GLN A 63 -3.181 -9.175 -34.504 1.00 42.30 H new ATOM 0 HE21 GLN A 63 -3.832 -6.956 -34.366 1.00 62.00 H new ATOM 0 HE22 GLN A 63 -2.674 -5.709 -33.891 1.00 62.00 H new ATOM 1000 N LEU A 64 -6.133 -10.387 -30.871 1.00 25.04 N ATOM 1001 CA LEU A 64 -6.983 -11.467 -30.383 1.00 74.21 C ATOM 1002 C LEU A 64 -8.457 -11.141 -30.599 1.00 25.40 C ATOM 1003 O LEU A 64 -9.291 -12.038 -30.715 1.00 2.13 O ATOM 1004 CB LEU A 64 -6.717 -11.723 -28.899 1.00 4.35 C ATOM 1005 CG LEU A 64 -5.292 -12.137 -28.535 1.00 44.34 C ATOM 1006 CD1 LEU A 64 -5.188 -12.442 -27.047 1.00 23.33 C ATOM 1007 CD2 LEU A 64 -4.859 -13.341 -29.358 1.00 10.51 C ATOM 0 H LEU A 64 -5.802 -9.751 -30.146 1.00 25.04 H new ATOM 0 HA LEU A 64 -6.743 -12.367 -30.948 1.00 74.21 H new ATOM 0 HB2 LEU A 64 -6.964 -10.817 -28.345 1.00 4.35 H new ATOM 0 HB3 LEU A 64 -7.399 -12.502 -28.557 1.00 4.35 H new ATOM 0 HG LEU A 64 -4.624 -11.306 -28.763 1.00 44.34 H new ATOM 0 HD11 LEU A 64 -4.166 -12.735 -26.806 1.00 23.33 H new ATOM 0 HD12 LEU A 64 -5.455 -11.554 -26.474 1.00 23.33 H new ATOM 0 HD13 LEU A 64 -5.868 -13.255 -26.794 1.00 23.33 H new ATOM 0 HD21 LEU A 64 -3.842 -13.621 -29.085 1.00 10.51 H new ATOM 0 HD22 LEU A 64 -5.531 -14.177 -29.162 1.00 10.51 H new ATOM 0 HD23 LEU A 64 -4.894 -13.089 -30.418 1.00 10.51 H new ATOM 1019 N GLN A 65 -8.770 -9.849 -30.653 1.00 54.40 N ATOM 1020 CA GLN A 65 -10.144 -9.405 -30.856 1.00 4.24 C ATOM 1021 C GLN A 65 -10.760 -10.081 -32.076 1.00 11.21 C ATOM 1022 O GLN A 65 -11.747 -10.810 -31.979 1.00 31.21 O ATOM 1023 CB GLN A 65 -10.190 -7.885 -31.022 1.00 32.04 C ATOM 1024 CG GLN A 65 -10.804 -7.161 -29.835 1.00 34.20 C ATOM 1025 CD GLN A 65 -11.436 -5.838 -30.221 1.00 40.23 C ATOM 1026 OE1 GLN A 65 -10.788 -4.978 -30.818 1.00 54.41 O ATOM 1027 NE2 GLN A 65 -12.708 -5.668 -29.881 1.00 72.33 N ATOM 0 H GLN A 65 -8.091 -9.093 -30.559 1.00 54.40 H new ATOM 0 HA GLN A 65 -10.724 -9.686 -29.977 1.00 4.24 H new ATOM 0 HB2 GLN A 65 -9.177 -7.514 -31.179 1.00 32.04 H new ATOM 0 HB3 GLN A 65 -10.760 -7.643 -31.919 1.00 32.04 H new ATOM 0 HG2 GLN A 65 -11.559 -7.799 -29.376 1.00 34.20 H new ATOM 0 HG3 GLN A 65 -10.034 -6.986 -29.083 1.00 34.20 H new ATOM 0 HE21 GLN A 65 -13.207 -6.408 -29.387 1.00 72.33 H new ATOM 0 HE22 GLN A 65 -13.186 -4.798 -30.114 1.00 72.33 H new ATOM 1036 N PRO A 66 -10.165 -9.835 -33.253 1.00 21.30 N ATOM 1037 CA PRO A 66 -10.640 -10.410 -34.515 1.00 73.33 C ATOM 1038 C PRO A 66 -10.395 -11.913 -34.594 1.00 55.22 C ATOM 1039 O PRO A 66 -10.988 -12.607 -35.422 1.00 4.22 O ATOM 1040 CB PRO A 66 -9.812 -9.677 -35.573 1.00 51.31 C ATOM 1041 CG PRO A 66 -8.572 -9.258 -34.861 1.00 73.44 C ATOM 1042 CD PRO A 66 -8.985 -8.975 -33.443 1.00 52.21 C ATOM 0 HA PRO A 66 -11.716 -10.290 -34.639 1.00 73.33 H new ATOM 0 HB2 PRO A 66 -9.583 -10.328 -36.417 1.00 51.31 H new ATOM 0 HB3 PRO A 66 -10.350 -8.816 -35.971 1.00 51.31 H new ATOM 0 HG2 PRO A 66 -7.816 -10.043 -34.898 1.00 73.44 H new ATOM 0 HG3 PRO A 66 -8.136 -8.373 -35.325 1.00 73.44 H new ATOM 0 HD2 PRO A 66 -8.192 -9.220 -32.737 1.00 52.21 H new ATOM 0 HD3 PRO A 66 -9.227 -7.922 -33.298 1.00 52.21 H new ATOM 1050 N SER A 67 -9.518 -12.413 -33.728 1.00 11.44 N ATOM 1051 CA SER A 67 -9.192 -13.834 -33.703 1.00 5.22 C ATOM 1052 C SER A 67 -9.877 -14.527 -32.529 1.00 1.34 C ATOM 1053 O SER A 67 -9.396 -15.546 -32.029 1.00 24.43 O ATOM 1054 CB SER A 67 -7.678 -14.030 -33.614 1.00 3.32 C ATOM 1055 OG SER A 67 -6.995 -13.124 -34.464 1.00 63.10 O ATOM 0 H SER A 67 -9.021 -11.854 -33.034 1.00 11.44 H new ATOM 0 HA SER A 67 -9.554 -14.282 -34.628 1.00 5.22 H new ATOM 0 HB2 SER A 67 -7.349 -13.886 -32.585 1.00 3.32 H new ATOM 0 HB3 SER A 67 -7.424 -15.054 -33.889 1.00 3.32 H new ATOM 0 HG SER A 67 -6.849 -12.278 -33.991 1.00 63.10 H new ATOM 1061 N LEU A 68 -11.000 -13.967 -32.093 1.00 50.43 N ATOM 1062 CA LEU A 68 -11.751 -14.530 -30.977 1.00 71.35 C ATOM 1063 C LEU A 68 -12.603 -15.710 -31.434 1.00 60.45 C ATOM 1064 O LEU A 68 -12.751 -16.697 -30.714 1.00 42.52 O ATOM 1065 CB LEU A 68 -12.641 -13.459 -30.344 1.00 65.25 C ATOM 1066 CG LEU A 68 -12.074 -12.761 -29.108 1.00 4.32 C ATOM 1067 CD1 LEU A 68 -13.030 -11.684 -28.617 1.00 21.14 C ATOM 1068 CD2 LEU A 68 -11.794 -13.770 -28.004 1.00 32.22 C ATOM 0 H LEU A 68 -11.410 -13.124 -32.495 1.00 50.43 H new ATOM 0 HA LEU A 68 -11.038 -14.887 -30.234 1.00 71.35 H new ATOM 0 HB2 LEU A 68 -12.856 -12.702 -31.098 1.00 65.25 H new ATOM 0 HB3 LEU A 68 -13.592 -13.918 -30.073 1.00 65.25 H new ATOM 0 HG LEU A 68 -11.133 -12.286 -29.385 1.00 4.32 H new ATOM 0 HD11 LEU A 68 -12.609 -11.198 -27.737 1.00 21.14 H new ATOM 0 HD12 LEU A 68 -13.179 -10.944 -29.403 1.00 21.14 H new ATOM 0 HD13 LEU A 68 -13.987 -12.137 -28.359 1.00 21.14 H new ATOM 0 HD21 LEU A 68 -11.391 -13.254 -27.133 1.00 32.22 H new ATOM 0 HD22 LEU A 68 -12.720 -14.276 -27.730 1.00 32.22 H new ATOM 0 HD23 LEU A 68 -11.070 -14.505 -28.357 1.00 32.22 H new ATOM 1080 N GLN A 69 -13.159 -15.601 -32.636 1.00 54.14 N ATOM 1081 CA GLN A 69 -13.994 -16.660 -33.190 1.00 73.53 C ATOM 1082 C GLN A 69 -13.139 -17.781 -33.773 1.00 24.05 C ATOM 1083 O GLN A 69 -13.470 -18.960 -33.647 1.00 2.14 O ATOM 1084 CB GLN A 69 -14.922 -16.097 -34.268 1.00 2.40 C ATOM 1085 CG GLN A 69 -15.918 -17.111 -34.805 1.00 64.52 C ATOM 1086 CD GLN A 69 -15.377 -17.892 -35.985 1.00 13.24 C ATOM 1087 OE1 GLN A 69 -15.000 -19.057 -35.855 1.00 43.54 O ATOM 1088 NE2 GLN A 69 -15.337 -17.255 -37.149 1.00 24.24 N ATOM 0 H GLN A 69 -13.046 -14.790 -33.245 1.00 54.14 H new ATOM 0 HA GLN A 69 -14.597 -17.072 -32.381 1.00 73.53 H new ATOM 0 HB2 GLN A 69 -15.467 -15.247 -33.858 1.00 2.40 H new ATOM 0 HB3 GLN A 69 -14.319 -15.720 -35.094 1.00 2.40 H new ATOM 0 HG2 GLN A 69 -16.189 -17.804 -34.009 1.00 64.52 H new ATOM 0 HG3 GLN A 69 -16.831 -16.595 -35.103 1.00 64.52 H new ATOM 0 HE21 GLN A 69 -15.659 -16.289 -37.213 1.00 24.24 H new ATOM 0 HE22 GLN A 69 -14.984 -17.731 -37.979 1.00 24.24 H new ATOM 1097 N THR A 70 -12.036 -17.404 -34.413 1.00 41.23 N ATOM 1098 CA THR A 70 -11.133 -18.375 -35.017 1.00 44.34 C ATOM 1099 C THR A 70 -9.913 -18.616 -34.134 1.00 64.30 C ATOM 1100 O THR A 70 -8.819 -18.879 -34.630 1.00 42.31 O ATOM 1101 CB THR A 70 -10.661 -17.915 -36.409 1.00 23.43 C ATOM 1102 OG1 THR A 70 -11.675 -17.114 -37.029 1.00 3.33 O ATOM 1103 CG2 THR A 70 -10.341 -19.109 -37.295 1.00 1.42 C ATOM 0 H THR A 70 -11.747 -16.432 -34.526 1.00 41.23 H new ATOM 0 HA THR A 70 -11.693 -19.304 -35.120 1.00 44.34 H new ATOM 0 HB THR A 70 -9.755 -17.323 -36.283 1.00 23.43 H new ATOM 0 HG1 THR A 70 -11.367 -16.824 -37.913 1.00 3.33 H new ATOM 0 HG21 THR A 70 -10.010 -18.758 -38.273 1.00 1.42 H new ATOM 0 HG22 THR A 70 -9.550 -19.702 -36.835 1.00 1.42 H new ATOM 0 HG23 THR A 70 -11.233 -19.724 -37.413 1.00 1.42 H new ATOM 1111 N GLY A 71 -10.111 -18.525 -32.823 1.00 44.23 N ATOM 1112 CA GLY A 71 -9.018 -18.737 -31.892 1.00 52.30 C ATOM 1113 C GLY A 71 -9.180 -20.011 -31.087 1.00 10.41 C ATOM 1114 O GLY A 71 -10.221 -20.665 -31.150 1.00 32.34 O ATOM 0 H GLY A 71 -11.008 -18.308 -32.389 1.00 44.23 H new ATOM 0 HA2 GLY A 71 -8.078 -18.776 -32.443 1.00 52.30 H new ATOM 0 HA3 GLY A 71 -8.954 -17.887 -31.212 1.00 52.30 H new ATOM 1118 N SER A 72 -8.147 -20.366 -30.329 1.00 23.30 N ATOM 1119 CA SER A 72 -8.177 -21.574 -29.513 1.00 44.21 C ATOM 1120 C SER A 72 -8.497 -21.240 -28.059 1.00 23.12 C ATOM 1121 O SER A 72 -8.622 -20.071 -27.693 1.00 13.52 O ATOM 1122 CB SER A 72 -6.836 -22.306 -29.596 1.00 3.23 C ATOM 1123 OG SER A 72 -5.777 -21.481 -29.142 1.00 33.13 O ATOM 0 H SER A 72 -7.279 -19.834 -30.263 1.00 23.30 H new ATOM 0 HA SER A 72 -8.962 -22.224 -29.900 1.00 44.21 H new ATOM 0 HB2 SER A 72 -6.876 -23.215 -28.996 1.00 3.23 H new ATOM 0 HB3 SER A 72 -6.648 -22.612 -30.625 1.00 3.23 H new ATOM 0 HG SER A 72 -4.931 -21.972 -29.203 1.00 33.13 H new ATOM 1129 N GLU A 73 -8.630 -22.275 -27.236 1.00 2.21 N ATOM 1130 CA GLU A 73 -8.937 -22.090 -25.822 1.00 35.22 C ATOM 1131 C GLU A 73 -7.921 -21.163 -25.161 1.00 13.42 C ATOM 1132 O GLU A 73 -8.279 -20.315 -24.346 1.00 22.35 O ATOM 1133 CB GLU A 73 -8.956 -23.440 -25.102 1.00 73.23 C ATOM 1134 CG GLU A 73 -10.249 -24.215 -25.294 1.00 21.04 C ATOM 1135 CD GLU A 73 -10.057 -25.476 -26.114 1.00 2.12 C ATOM 1136 OE1 GLU A 73 -9.465 -25.387 -27.210 1.00 72.42 O ATOM 1137 OE2 GLU A 73 -10.500 -26.552 -25.660 1.00 3.34 O ATOM 0 H GLU A 73 -8.530 -23.249 -27.523 1.00 2.21 H new ATOM 0 HA GLU A 73 -9.923 -21.632 -25.747 1.00 35.22 H new ATOM 0 HB2 GLU A 73 -8.123 -24.045 -25.460 1.00 73.23 H new ATOM 0 HB3 GLU A 73 -8.795 -23.276 -24.036 1.00 73.23 H new ATOM 0 HG2 GLU A 73 -10.658 -24.479 -24.319 1.00 21.04 H new ATOM 0 HG3 GLU A 73 -10.982 -23.575 -25.785 1.00 21.04 H new ATOM 1144 N GLU A 74 -6.652 -21.334 -25.519 1.00 54.20 N ATOM 1145 CA GLU A 74 -5.584 -20.514 -24.960 1.00 42.00 C ATOM 1146 C GLU A 74 -5.735 -19.057 -25.390 1.00 60.31 C ATOM 1147 O GLU A 74 -5.386 -18.139 -24.646 1.00 12.45 O ATOM 1148 CB GLU A 74 -4.219 -21.047 -25.397 1.00 50.13 C ATOM 1149 CG GLU A 74 -3.879 -22.405 -24.806 1.00 51.41 C ATOM 1150 CD GLU A 74 -2.615 -22.999 -25.399 1.00 25.30 C ATOM 1151 OE1 GLU A 74 -2.042 -22.379 -26.319 1.00 3.22 O ATOM 1152 OE2 GLU A 74 -2.200 -24.085 -24.942 1.00 12.04 O ATOM 0 H GLU A 74 -6.339 -22.033 -26.193 1.00 54.20 H new ATOM 0 HA GLU A 74 -5.654 -20.564 -23.873 1.00 42.00 H new ATOM 0 HB2 GLU A 74 -4.197 -21.117 -26.484 1.00 50.13 H new ATOM 0 HB3 GLU A 74 -3.449 -20.331 -25.108 1.00 50.13 H new ATOM 0 HG2 GLU A 74 -3.759 -22.308 -23.727 1.00 51.41 H new ATOM 0 HG3 GLU A 74 -4.711 -23.089 -24.974 1.00 51.41 H new ATOM 1159 N LEU A 75 -6.256 -18.853 -26.595 1.00 70.24 N ATOM 1160 CA LEU A 75 -6.454 -17.509 -27.125 1.00 10.14 C ATOM 1161 C LEU A 75 -7.530 -16.766 -26.340 1.00 41.51 C ATOM 1162 O LEU A 75 -7.350 -15.607 -25.964 1.00 14.54 O ATOM 1163 CB LEU A 75 -6.839 -17.575 -28.604 1.00 61.41 C ATOM 1164 CG LEU A 75 -6.641 -16.289 -29.407 1.00 54.30 C ATOM 1165 CD1 LEU A 75 -6.307 -16.611 -30.856 1.00 53.52 C ATOM 1166 CD2 LEU A 75 -7.882 -15.413 -29.327 1.00 0.42 C ATOM 0 H LEU A 75 -6.549 -19.601 -27.223 1.00 70.24 H new ATOM 0 HA LEU A 75 -5.516 -16.963 -27.024 1.00 10.14 H new ATOM 0 HB2 LEU A 75 -6.257 -18.367 -29.075 1.00 61.41 H new ATOM 0 HB3 LEU A 75 -7.887 -17.865 -28.673 1.00 61.41 H new ATOM 0 HG LEU A 75 -5.805 -15.739 -28.975 1.00 54.30 H new ATOM 0 HD11 LEU A 75 -6.170 -15.684 -31.412 1.00 53.52 H new ATOM 0 HD12 LEU A 75 -5.389 -17.198 -30.896 1.00 53.52 H new ATOM 0 HD13 LEU A 75 -7.123 -17.182 -31.299 1.00 53.52 H new ATOM 0 HD21 LEU A 75 -7.722 -14.502 -29.904 1.00 0.42 H new ATOM 0 HD22 LEU A 75 -8.737 -15.955 -29.733 1.00 0.42 H new ATOM 0 HD23 LEU A 75 -8.078 -15.153 -28.287 1.00 0.42 H new ATOM 1178 N ARG A 76 -8.647 -17.441 -26.094 1.00 71.45 N ATOM 1179 CA ARG A 76 -9.753 -16.846 -25.352 1.00 4.45 C ATOM 1180 C ARG A 76 -9.301 -16.410 -23.961 1.00 22.43 C ATOM 1181 O ARG A 76 -9.512 -15.266 -23.559 1.00 4.04 O ATOM 1182 CB ARG A 76 -10.912 -17.837 -25.238 1.00 41.44 C ATOM 1183 CG ARG A 76 -12.281 -17.177 -25.239 1.00 14.42 C ATOM 1184 CD ARG A 76 -12.835 -17.038 -23.831 1.00 42.55 C ATOM 1185 NE ARG A 76 -13.065 -18.337 -23.202 1.00 33.42 N ATOM 1186 CZ ARG A 76 -13.431 -18.485 -21.934 1.00 71.13 C ATOM 1187 NH1 ARG A 76 -13.607 -17.421 -21.163 1.00 75.04 N ATOM 1188 NH2 ARG A 76 -13.622 -19.700 -21.436 1.00 43.21 N ATOM 0 H ARG A 76 -8.811 -18.401 -26.397 1.00 71.45 H new ATOM 0 HA ARG A 76 -10.092 -15.965 -25.898 1.00 4.45 H new ATOM 0 HB2 ARG A 76 -10.858 -18.543 -26.067 1.00 41.44 H new ATOM 0 HB3 ARG A 76 -10.797 -18.414 -24.320 1.00 41.44 H new ATOM 0 HG2 ARG A 76 -12.211 -16.193 -25.702 1.00 14.42 H new ATOM 0 HG3 ARG A 76 -12.969 -17.766 -25.845 1.00 14.42 H new ATOM 0 HD2 ARG A 76 -12.139 -16.459 -23.223 1.00 42.55 H new ATOM 0 HD3 ARG A 76 -13.771 -16.480 -23.863 1.00 42.55 H new ATOM 0 HE ARG A 76 -12.937 -19.176 -23.768 1.00 33.42 H new ATOM 0 HH11 ARG A 76 -13.461 -16.486 -21.543 1.00 75.04 H new ATOM 0 HH12 ARG A 76 -13.888 -17.538 -20.189 1.00 75.04 H new ATOM 0 HH21 ARG A 76 -13.488 -20.520 -22.027 1.00 43.21 H new ATOM 0 HH22 ARG A 76 -13.903 -19.814 -20.462 1.00 43.21 H new ATOM 1202 N SER A 77 -8.680 -17.331 -23.231 1.00 21.23 N ATOM 1203 CA SER A 77 -8.203 -17.043 -21.884 1.00 44.35 C ATOM 1204 C SER A 77 -7.337 -15.787 -21.870 1.00 71.30 C ATOM 1205 O SER A 77 -7.474 -14.934 -20.992 1.00 43.32 O ATOM 1206 CB SER A 77 -7.407 -18.231 -21.337 1.00 31.34 C ATOM 1207 OG SER A 77 -6.890 -19.025 -22.391 1.00 42.54 O ATOM 0 H SER A 77 -8.496 -18.282 -23.550 1.00 21.23 H new ATOM 0 HA SER A 77 -9.071 -16.871 -21.247 1.00 44.35 H new ATOM 0 HB2 SER A 77 -6.589 -17.869 -20.715 1.00 31.34 H new ATOM 0 HB3 SER A 77 -8.048 -18.840 -20.699 1.00 31.34 H new ATOM 0 HG SER A 77 -6.349 -18.466 -22.987 1.00 42.54 H new ATOM 1213 N LEU A 78 -6.445 -15.680 -22.849 1.00 62.22 N ATOM 1214 CA LEU A 78 -5.556 -14.528 -22.951 1.00 15.01 C ATOM 1215 C LEU A 78 -6.353 -13.231 -23.044 1.00 45.34 C ATOM 1216 O LEU A 78 -6.183 -12.326 -22.226 1.00 60.25 O ATOM 1217 CB LEU A 78 -4.647 -14.669 -24.173 1.00 12.21 C ATOM 1218 CG LEU A 78 -3.203 -15.086 -23.891 1.00 43.54 C ATOM 1219 CD1 LEU A 78 -2.536 -14.097 -22.948 1.00 72.02 C ATOM 1220 CD2 LEU A 78 -3.159 -16.492 -23.309 1.00 13.01 C ATOM 0 H LEU A 78 -6.318 -16.377 -23.583 1.00 62.22 H new ATOM 0 HA LEU A 78 -4.943 -14.492 -22.050 1.00 15.01 H new ATOM 0 HB2 LEU A 78 -5.090 -15.401 -24.848 1.00 12.21 H new ATOM 0 HB3 LEU A 78 -4.632 -13.716 -24.702 1.00 12.21 H new ATOM 0 HG LEU A 78 -2.654 -15.085 -24.833 1.00 43.54 H new ATOM 0 HD11 LEU A 78 -1.509 -14.410 -22.759 1.00 72.02 H new ATOM 0 HD12 LEU A 78 -2.535 -13.106 -23.401 1.00 72.02 H new ATOM 0 HD13 LEU A 78 -3.085 -14.065 -22.007 1.00 72.02 H new ATOM 0 HD21 LEU A 78 -2.124 -16.773 -23.114 1.00 13.01 H new ATOM 0 HD22 LEU A 78 -3.724 -16.518 -22.377 1.00 13.01 H new ATOM 0 HD23 LEU A 78 -3.598 -17.193 -24.019 1.00 13.01 H new ATOM 1232 N TYR A 79 -7.225 -13.148 -24.041 1.00 15.15 N ATOM 1233 CA TYR A 79 -8.049 -11.961 -24.241 1.00 74.13 C ATOM 1234 C TYR A 79 -8.808 -11.606 -22.967 1.00 62.24 C ATOM 1235 O TYR A 79 -9.122 -10.442 -22.722 1.00 40.44 O ATOM 1236 CB TYR A 79 -9.033 -12.185 -25.390 1.00 51.13 C ATOM 1237 CG TYR A 79 -9.735 -10.924 -25.840 1.00 72.25 C ATOM 1238 CD1 TYR A 79 -9.063 -9.957 -26.577 1.00 3.41 C ATOM 1239 CD2 TYR A 79 -11.071 -10.699 -25.528 1.00 13.13 C ATOM 1240 CE1 TYR A 79 -9.699 -8.803 -26.990 1.00 44.02 C ATOM 1241 CE2 TYR A 79 -11.716 -9.549 -25.938 1.00 33.14 C ATOM 1242 CZ TYR A 79 -11.026 -8.603 -26.669 1.00 63.12 C ATOM 1243 OH TYR A 79 -11.665 -7.455 -27.077 1.00 33.03 O ATOM 0 H TYR A 79 -7.380 -13.889 -24.725 1.00 15.15 H new ATOM 0 HA TYR A 79 -7.391 -11.130 -24.494 1.00 74.13 H new ATOM 0 HB2 TYR A 79 -8.498 -12.615 -26.237 1.00 51.13 H new ATOM 0 HB3 TYR A 79 -9.780 -12.916 -25.080 1.00 51.13 H new ATOM 0 HD1 TYR A 79 -8.025 -10.111 -26.831 1.00 3.41 H new ATOM 0 HD2 TYR A 79 -11.614 -11.436 -24.955 1.00 13.13 H new ATOM 0 HE1 TYR A 79 -9.161 -8.061 -27.561 1.00 44.02 H new ATOM 0 HE2 TYR A 79 -12.755 -9.391 -25.688 1.00 33.14 H new ATOM 0 HH TYR A 79 -12.595 -7.472 -26.769 1.00 33.03 H new ATOM 1253 N ASN A 80 -9.102 -12.619 -22.158 1.00 51.12 N ATOM 1254 CA ASN A 80 -9.825 -12.416 -20.908 1.00 3.02 C ATOM 1255 C ASN A 80 -8.947 -11.709 -19.880 1.00 10.54 C ATOM 1256 O ASN A 80 -9.297 -10.642 -19.374 1.00 13.12 O ATOM 1257 CB ASN A 80 -10.306 -13.756 -20.349 1.00 20.23 C ATOM 1258 CG ASN A 80 -11.778 -14.001 -20.622 1.00 52.11 C ATOM 1259 OD1 ASN A 80 -12.325 -13.524 -21.616 1.00 41.51 O ATOM 1260 ND2 ASN A 80 -12.427 -14.748 -19.736 1.00 70.33 N ATOM 0 H ASN A 80 -8.850 -13.589 -22.346 1.00 51.12 H new ATOM 0 HA ASN A 80 -10.690 -11.786 -21.116 1.00 3.02 H new ATOM 0 HB2 ASN A 80 -9.719 -14.562 -20.789 1.00 20.23 H new ATOM 0 HB3 ASN A 80 -10.129 -13.783 -19.274 1.00 20.23 H new ATOM 0 HD21 ASN A 80 -13.419 -14.947 -19.866 1.00 70.33 H new ATOM 0 HD22 ASN A 80 -11.933 -15.123 -18.926 1.00 70.33 H new ATOM 1267 N THR A 81 -7.801 -12.312 -19.575 1.00 3.25 N ATOM 1268 CA THR A 81 -6.871 -11.741 -18.608 1.00 64.33 C ATOM 1269 C THR A 81 -6.346 -10.390 -19.081 1.00 44.23 C ATOM 1270 O THR A 81 -6.406 -9.401 -18.349 1.00 15.05 O ATOM 1271 CB THR A 81 -5.679 -12.682 -18.352 1.00 73.22 C ATOM 1272 OG1 THR A 81 -6.152 -13.979 -17.970 1.00 34.13 O ATOM 1273 CG2 THR A 81 -4.775 -12.125 -17.263 1.00 53.52 C ATOM 0 H THR A 81 -7.495 -13.195 -19.984 1.00 3.25 H new ATOM 0 HA THR A 81 -7.424 -11.607 -17.679 1.00 64.33 H new ATOM 0 HB THR A 81 -5.103 -12.763 -19.274 1.00 73.22 H new ATOM 0 HG1 THR A 81 -5.388 -14.572 -17.811 1.00 34.13 H new ATOM 0 HG21 THR A 81 -3.940 -12.806 -17.099 1.00 53.52 H new ATOM 0 HG22 THR A 81 -4.394 -11.151 -17.570 1.00 53.52 H new ATOM 0 HG23 THR A 81 -5.342 -12.018 -16.339 1.00 53.52 H new ATOM 1281 N ILE A 82 -5.834 -10.356 -20.305 1.00 12.32 N ATOM 1282 CA ILE A 82 -5.299 -9.125 -20.875 1.00 11.01 C ATOM 1283 C ILE A 82 -6.343 -8.013 -20.857 1.00 12.21 C ATOM 1284 O ILE A 82 -6.003 -6.830 -20.845 1.00 64.10 O ATOM 1285 CB ILE A 82 -4.817 -9.337 -22.322 1.00 51.41 C ATOM 1286 CG1 ILE A 82 -3.743 -10.426 -22.370 1.00 4.25 C ATOM 1287 CG2 ILE A 82 -4.284 -8.035 -22.900 1.00 63.20 C ATOM 1288 CD1 ILE A 82 -3.531 -11.005 -23.751 1.00 12.21 C ATOM 0 H ILE A 82 -5.778 -11.166 -20.922 1.00 12.32 H new ATOM 0 HA ILE A 82 -4.450 -8.834 -20.257 1.00 11.01 H new ATOM 0 HB ILE A 82 -5.664 -9.660 -22.927 1.00 51.41 H new ATOM 0 HG12 ILE A 82 -2.801 -10.012 -22.010 1.00 4.25 H new ATOM 0 HG13 ILE A 82 -4.020 -11.229 -21.687 1.00 4.25 H new ATOM 0 HG21 ILE A 82 -3.947 -8.202 -23.923 1.00 63.20 H new ATOM 0 HG22 ILE A 82 -5.075 -7.285 -22.896 1.00 63.20 H new ATOM 0 HG23 ILE A 82 -3.448 -7.684 -22.296 1.00 63.20 H new ATOM 0 HD11 ILE A 82 -2.756 -11.770 -23.710 1.00 12.21 H new ATOM 0 HD12 ILE A 82 -4.461 -11.449 -24.106 1.00 12.21 H new ATOM 0 HD13 ILE A 82 -3.223 -10.213 -24.434 1.00 12.21 H new ATOM 1300 N ALA A 83 -7.613 -8.402 -20.854 1.00 24.01 N ATOM 1301 CA ALA A 83 -8.707 -7.437 -20.833 1.00 54.32 C ATOM 1302 C ALA A 83 -8.851 -6.801 -19.455 1.00 2.41 C ATOM 1303 O ALA A 83 -9.304 -5.663 -19.331 1.00 63.14 O ATOM 1304 CB ALA A 83 -10.008 -8.108 -21.246 1.00 24.44 C ATOM 0 H ALA A 83 -7.911 -9.378 -20.866 1.00 24.01 H new ATOM 0 HA ALA A 83 -8.476 -6.646 -21.546 1.00 54.32 H new ATOM 0 HB1 ALA A 83 -10.817 -7.377 -21.226 1.00 24.44 H new ATOM 0 HB2 ALA A 83 -9.906 -8.509 -22.254 1.00 24.44 H new ATOM 0 HB3 ALA A 83 -10.235 -8.919 -20.554 1.00 24.44 H new ATOM 1310 N VAL A 84 -8.463 -7.541 -18.423 1.00 51.54 N ATOM 1311 CA VAL A 84 -8.548 -7.048 -17.052 1.00 35.22 C ATOM 1312 C VAL A 84 -7.345 -6.179 -16.705 1.00 13.01 C ATOM 1313 O VAL A 84 -7.471 -5.182 -15.995 1.00 5.31 O ATOM 1314 CB VAL A 84 -8.638 -8.209 -16.043 1.00 12.15 C ATOM 1315 CG1 VAL A 84 -8.774 -7.674 -14.626 1.00 43.11 C ATOM 1316 CG2 VAL A 84 -9.801 -9.127 -16.389 1.00 21.25 C ATOM 0 H VAL A 84 -8.086 -8.485 -18.509 1.00 51.54 H new ATOM 0 HA VAL A 84 -9.456 -6.448 -16.987 1.00 35.22 H new ATOM 0 HB VAL A 84 -7.717 -8.790 -16.100 1.00 12.15 H new ATOM 0 HG11 VAL A 84 -8.836 -8.508 -13.927 1.00 43.11 H new ATOM 0 HG12 VAL A 84 -7.906 -7.061 -14.384 1.00 43.11 H new ATOM 0 HG13 VAL A 84 -9.678 -7.069 -14.551 1.00 43.11 H new ATOM 0 HG21 VAL A 84 -9.849 -9.941 -15.666 1.00 21.25 H new ATOM 0 HG22 VAL A 84 -10.732 -8.561 -16.361 1.00 21.25 H new ATOM 0 HG23 VAL A 84 -9.656 -9.537 -17.388 1.00 21.25 H new ATOM 1326 N LEU A 85 -6.178 -6.564 -17.211 1.00 23.11 N ATOM 1327 CA LEU A 85 -4.950 -5.819 -16.954 1.00 14.05 C ATOM 1328 C LEU A 85 -4.924 -4.522 -17.756 1.00 4.11 C ATOM 1329 O LEU A 85 -4.365 -3.517 -17.311 1.00 75.51 O ATOM 1330 CB LEU A 85 -3.730 -6.673 -17.305 1.00 2.12 C ATOM 1331 CG LEU A 85 -2.413 -6.265 -16.643 1.00 71.14 C ATOM 1332 CD1 LEU A 85 -2.448 -6.569 -15.153 1.00 74.11 C ATOM 1333 CD2 LEU A 85 -1.242 -6.974 -17.307 1.00 10.24 C ATOM 0 H LEU A 85 -6.056 -7.387 -17.801 1.00 23.11 H new ATOM 0 HA LEU A 85 -4.919 -5.570 -15.893 1.00 14.05 H new ATOM 0 HB2 LEU A 85 -3.945 -7.707 -17.034 1.00 2.12 H new ATOM 0 HB3 LEU A 85 -3.593 -6.649 -18.386 1.00 2.12 H new ATOM 0 HG LEU A 85 -2.281 -5.190 -16.770 1.00 71.14 H new ATOM 0 HD11 LEU A 85 -1.503 -6.272 -14.699 1.00 74.11 H new ATOM 0 HD12 LEU A 85 -3.264 -6.016 -14.688 1.00 74.11 H new ATOM 0 HD13 LEU A 85 -2.603 -7.638 -15.003 1.00 74.11 H new ATOM 0 HD21 LEU A 85 -0.313 -6.672 -16.824 1.00 10.24 H new ATOM 0 HD22 LEU A 85 -1.368 -8.052 -17.211 1.00 10.24 H new ATOM 0 HD23 LEU A 85 -1.206 -6.706 -18.363 1.00 10.24 H new ATOM 1345 N TYR A 86 -5.533 -4.548 -18.936 1.00 53.43 N ATOM 1346 CA TYR A 86 -5.578 -3.373 -19.799 1.00 71.33 C ATOM 1347 C TYR A 86 -6.445 -2.279 -19.183 1.00 0.41 C ATOM 1348 O TYR A 86 -6.004 -1.140 -19.021 1.00 60.11 O ATOM 1349 CB TYR A 86 -6.117 -3.750 -21.179 1.00 34.41 C ATOM 1350 CG TYR A 86 -6.389 -2.558 -22.069 1.00 24.12 C ATOM 1351 CD1 TYR A 86 -5.358 -1.724 -22.480 1.00 23.02 C ATOM 1352 CD2 TYR A 86 -7.678 -2.267 -22.499 1.00 21.45 C ATOM 1353 CE1 TYR A 86 -5.601 -0.633 -23.292 1.00 34.43 C ATOM 1354 CE2 TYR A 86 -7.931 -1.180 -23.313 1.00 22.15 C ATOM 1355 CZ TYR A 86 -6.890 -0.365 -23.706 1.00 23.11 C ATOM 1356 OH TYR A 86 -7.137 0.719 -24.516 1.00 31.35 O ATOM 0 H TYR A 86 -6.002 -5.370 -19.317 1.00 53.43 H new ATOM 0 HA TYR A 86 -4.563 -2.991 -19.905 1.00 71.33 H new ATOM 0 HB2 TYR A 86 -5.400 -4.406 -21.673 1.00 34.41 H new ATOM 0 HB3 TYR A 86 -7.038 -4.319 -21.057 1.00 34.41 H new ATOM 0 HD1 TYR A 86 -4.348 -1.932 -22.159 1.00 23.02 H new ATOM 0 HD2 TYR A 86 -8.496 -2.902 -22.191 1.00 21.45 H new ATOM 0 HE1 TYR A 86 -4.787 0.006 -23.601 1.00 34.43 H new ATOM 0 HE2 TYR A 86 -8.939 -0.969 -23.640 1.00 22.15 H new ATOM 0 HH TYR A 86 -8.095 0.766 -24.717 1.00 31.35 H new ATOM 1366 N CYS A 87 -7.679 -2.633 -18.841 1.00 10.24 N ATOM 1367 CA CYS A 87 -8.608 -1.681 -18.243 1.00 21.41 C ATOM 1368 C CYS A 87 -7.978 -0.986 -17.042 1.00 2.00 C ATOM 1369 O CYS A 87 -8.300 0.162 -16.734 1.00 32.34 O ATOM 1370 CB CYS A 87 -9.895 -2.392 -17.820 1.00 4.40 C ATOM 1371 SG CYS A 87 -11.036 -2.727 -19.181 1.00 32.33 S ATOM 0 H CYS A 87 -8.059 -3.571 -18.967 1.00 10.24 H new ATOM 0 HA CYS A 87 -8.847 -0.925 -18.991 1.00 21.41 H new ATOM 0 HB2 CYS A 87 -9.635 -3.334 -17.338 1.00 4.40 H new ATOM 0 HB3 CYS A 87 -10.405 -1.783 -17.074 1.00 4.40 H new ATOM 0 HG CYS A 87 -10.754 -3.880 -19.710 1.00 32.33 H new ATOM 1377 N VAL A 88 -7.077 -1.690 -16.363 1.00 21.01 N ATOM 1378 CA VAL A 88 -6.401 -1.141 -15.193 1.00 10.11 C ATOM 1379 C VAL A 88 -5.362 -0.102 -15.597 1.00 1.21 C ATOM 1380 O VAL A 88 -5.188 0.913 -14.922 1.00 44.31 O ATOM 1381 CB VAL A 88 -5.712 -2.247 -14.373 1.00 74.13 C ATOM 1382 CG1 VAL A 88 -4.986 -1.652 -13.176 1.00 35.02 C ATOM 1383 CG2 VAL A 88 -6.727 -3.289 -13.926 1.00 41.10 C ATOM 0 H VAL A 88 -6.799 -2.641 -16.603 1.00 21.01 H new ATOM 0 HA VAL A 88 -7.166 -0.666 -14.579 1.00 10.11 H new ATOM 0 HB VAL A 88 -4.974 -2.739 -15.007 1.00 74.13 H new ATOM 0 HG11 VAL A 88 -4.505 -2.449 -12.609 1.00 35.02 H new ATOM 0 HG12 VAL A 88 -4.230 -0.947 -13.522 1.00 35.02 H new ATOM 0 HG13 VAL A 88 -5.701 -1.133 -12.538 1.00 35.02 H new ATOM 0 HG21 VAL A 88 -6.223 -4.063 -13.348 1.00 41.10 H new ATOM 0 HG22 VAL A 88 -7.489 -2.813 -13.309 1.00 41.10 H new ATOM 0 HG23 VAL A 88 -7.197 -3.738 -14.801 1.00 41.10 H new ATOM 1393 N HIS A 89 -4.673 -0.361 -16.704 1.00 51.20 N ATOM 1394 CA HIS A 89 -3.649 0.553 -17.200 1.00 3.25 C ATOM 1395 C HIS A 89 -4.286 1.764 -17.878 1.00 54.20 C ATOM 1396 O HIS A 89 -3.580 2.759 -18.036 1.00 43.54 O ATOM 1397 CB HIS A 89 -2.724 -0.167 -18.182 1.00 44.22 C ATOM 1398 CG HIS A 89 -1.990 -1.323 -17.574 1.00 75.31 C ATOM 1399 ND1 HIS A 89 -1.793 -1.460 -16.216 1.00 31.52 N ATOM 1400 CD2 HIS A 89 -1.405 -2.400 -18.148 1.00 74.54 C ATOM 1401 CE1 HIS A 89 -1.118 -2.572 -15.982 1.00 62.23 C ATOM 1402 NE2 HIS A 89 -0.872 -3.161 -17.138 1.00 22.14 N ATOM 0 H HIS A 89 -4.805 -1.196 -17.275 1.00 51.20 H new ATOM 0 HA HIS A 89 -3.063 0.900 -16.349 1.00 3.25 H new ATOM 0 HB2 HIS A 89 -3.312 -0.524 -19.027 1.00 44.22 H new ATOM 0 HB3 HIS A 89 -2.000 0.546 -18.576 1.00 44.22 H new ATOM 0 HD2 HIS A 89 -1.365 -2.620 -19.205 1.00 74.54 H new ATOM 0 HE1 HIS A 89 -0.819 -2.937 -15.011 1.00 62.23 H new ATOM 0 HE2 HIS A 89 -0.368 -4.039 -17.260 1.00 22.14 H new ATOM 1411 N GLN A 90 -5.555 1.706 -18.269 1.00 71.34 N ATOM 1412 CA GLN A 90 -6.205 2.837 -18.921 1.00 11.22 C ATOM 1413 C GLN A 90 -6.964 3.687 -17.908 1.00 33.30 C ATOM 1414 O GLN A 90 -6.560 4.806 -17.595 1.00 14.22 O ATOM 1415 CB GLN A 90 -7.160 2.345 -20.010 1.00 14.32 C ATOM 1416 CG GLN A 90 -8.017 3.447 -20.611 1.00 74.02 C ATOM 1417 CD GLN A 90 -7.204 4.657 -21.028 1.00 73.51 C ATOM 1418 OE1 GLN A 90 -6.237 4.539 -21.780 1.00 0.50 O ATOM 1419 NE2 GLN A 90 -7.594 5.829 -20.542 1.00 64.24 N ATOM 0 H GLN A 90 -6.153 0.889 -18.146 1.00 71.34 H new ATOM 0 HA GLN A 90 -5.431 3.454 -19.378 1.00 11.22 H new ATOM 0 HB2 GLN A 90 -6.581 1.873 -20.804 1.00 14.32 H new ATOM 0 HB3 GLN A 90 -7.811 1.578 -19.591 1.00 14.32 H new ATOM 0 HG2 GLN A 90 -8.550 3.056 -21.478 1.00 74.02 H new ATOM 0 HG3 GLN A 90 -8.770 3.753 -19.885 1.00 74.02 H new ATOM 0 HE21 GLN A 90 -8.402 5.880 -19.921 1.00 64.24 H new ATOM 0 HE22 GLN A 90 -7.086 6.678 -20.789 1.00 64.24 H new ATOM 1428 N ARG A 91 -8.067 3.147 -17.399 1.00 75.32 N ATOM 1429 CA ARG A 91 -8.884 3.856 -16.423 1.00 64.22 C ATOM 1430 C ARG A 91 -10.076 3.006 -15.989 1.00 4.43 C ATOM 1431 O ARG A 91 -10.494 3.050 -14.832 1.00 44.20 O ATOM 1432 CB ARG A 91 -9.376 5.183 -17.005 1.00 62.12 C ATOM 1433 CG ARG A 91 -9.021 6.392 -16.153 1.00 75.44 C ATOM 1434 CD ARG A 91 -9.857 7.604 -16.531 1.00 34.25 C ATOM 1435 NE ARG A 91 -9.957 8.563 -15.434 1.00 30.21 N ATOM 1436 CZ ARG A 91 -10.662 9.686 -15.503 1.00 63.32 C ATOM 1437 NH1 ARG A 91 -11.327 9.990 -16.609 1.00 1.20 N ATOM 1438 NH2 ARG A 91 -10.704 10.509 -14.462 1.00 21.30 N ATOM 0 H ARG A 91 -8.415 2.221 -17.647 1.00 75.32 H new ATOM 0 HA ARG A 91 -8.266 4.057 -15.548 1.00 64.22 H new ATOM 0 HB2 ARG A 91 -8.951 5.313 -18.000 1.00 62.12 H new ATOM 0 HB3 ARG A 91 -10.459 5.138 -17.124 1.00 62.12 H new ATOM 0 HG2 ARG A 91 -9.177 6.155 -15.100 1.00 75.44 H new ATOM 0 HG3 ARG A 91 -7.963 6.626 -16.274 1.00 75.44 H new ATOM 0 HD2 ARG A 91 -9.416 8.092 -17.400 1.00 34.25 H new ATOM 0 HD3 ARG A 91 -10.856 7.279 -16.821 1.00 34.25 H new ATOM 0 HE ARG A 91 -9.458 8.359 -14.568 1.00 30.21 H new ATOM 0 HH11 ARG A 91 -11.298 9.360 -17.411 1.00 1.20 H new ATOM 0 HH12 ARG A 91 -11.867 10.854 -16.658 1.00 1.20 H new ATOM 0 HH21 ARG A 91 -10.195 10.279 -13.609 1.00 21.30 H new ATOM 0 HH22 ARG A 91 -11.246 11.372 -14.515 1.00 21.30 H new ATOM 1452 N ILE A 92 -10.616 2.234 -16.925 1.00 11.21 N ATOM 1453 CA ILE A 92 -11.757 1.373 -16.640 1.00 31.25 C ATOM 1454 C ILE A 92 -11.492 0.494 -15.424 1.00 41.42 C ATOM 1455 O ILE A 92 -10.505 -0.240 -15.379 1.00 11.45 O ATOM 1456 CB ILE A 92 -12.101 0.476 -17.844 1.00 4.40 C ATOM 1457 CG1 ILE A 92 -12.405 1.332 -19.076 1.00 43.52 C ATOM 1458 CG2 ILE A 92 -13.282 -0.425 -17.513 1.00 1.35 C ATOM 1459 CD1 ILE A 92 -11.360 1.218 -20.163 1.00 53.21 C ATOM 0 H ILE A 92 -10.282 2.187 -17.888 1.00 11.21 H new ATOM 0 HA ILE A 92 -12.603 2.029 -16.433 1.00 31.25 H new ATOM 0 HB ILE A 92 -11.240 -0.154 -18.067 1.00 4.40 H new ATOM 0 HG12 ILE A 92 -13.373 1.039 -19.482 1.00 43.52 H new ATOM 0 HG13 ILE A 92 -12.489 2.375 -18.772 1.00 43.52 H new ATOM 0 HG21 ILE A 92 -13.513 -1.053 -18.374 1.00 1.35 H new ATOM 0 HG22 ILE A 92 -13.031 -1.056 -16.661 1.00 1.35 H new ATOM 0 HG23 ILE A 92 -14.149 0.188 -17.267 1.00 1.35 H new ATOM 0 HD11 ILE A 92 -11.640 1.851 -21.005 1.00 53.21 H new ATOM 0 HD12 ILE A 92 -10.394 1.539 -19.774 1.00 53.21 H new ATOM 0 HD13 ILE A 92 -11.292 0.182 -20.495 1.00 53.21 H new ATOM 1471 N ASP A 93 -12.381 0.570 -14.439 1.00 0.42 N ATOM 1472 CA ASP A 93 -12.244 -0.221 -13.222 1.00 30.14 C ATOM 1473 C ASP A 93 -13.361 -1.255 -13.119 1.00 63.22 C ATOM 1474 O ASP A 93 -14.219 -1.172 -12.239 1.00 33.12 O ATOM 1475 CB ASP A 93 -12.259 0.688 -11.992 1.00 14.05 C ATOM 1476 CG ASP A 93 -10.931 1.387 -11.774 1.00 65.33 C ATOM 1477 OD1 ASP A 93 -9.909 0.894 -12.293 1.00 72.31 O ATOM 1478 OD2 ASP A 93 -10.915 2.427 -11.083 1.00 60.33 O ATOM 0 H ASP A 93 -13.204 1.172 -14.460 1.00 0.42 H new ATOM 0 HA ASP A 93 -11.289 -0.745 -13.264 1.00 30.14 H new ATOM 0 HB2 ASP A 93 -13.045 1.434 -12.105 1.00 14.05 H new ATOM 0 HB3 ASP A 93 -12.505 0.097 -11.110 1.00 14.05 H new ATOM 1483 N VAL A 94 -13.346 -2.228 -14.024 1.00 72.35 N ATOM 1484 CA VAL A 94 -14.357 -3.278 -14.035 1.00 73.21 C ATOM 1485 C VAL A 94 -14.283 -4.125 -12.770 1.00 61.30 C ATOM 1486 O VAL A 94 -13.373 -3.968 -11.956 1.00 61.24 O ATOM 1487 CB VAL A 94 -14.201 -4.195 -15.263 1.00 14.22 C ATOM 1488 CG1 VAL A 94 -14.303 -3.388 -16.548 1.00 54.31 C ATOM 1489 CG2 VAL A 94 -12.881 -4.949 -15.201 1.00 44.32 C ATOM 0 H VAL A 94 -12.644 -2.311 -14.760 1.00 72.35 H new ATOM 0 HA VAL A 94 -15.327 -2.783 -14.081 1.00 73.21 H new ATOM 0 HB VAL A 94 -15.011 -4.925 -15.255 1.00 14.22 H new ATOM 0 HG11 VAL A 94 -14.190 -4.052 -17.405 1.00 54.31 H new ATOM 0 HG12 VAL A 94 -15.276 -2.898 -16.594 1.00 54.31 H new ATOM 0 HG13 VAL A 94 -13.516 -2.634 -16.568 1.00 54.31 H new ATOM 0 HG21 VAL A 94 -12.788 -5.592 -16.076 1.00 44.32 H new ATOM 0 HG22 VAL A 94 -12.056 -4.237 -15.184 1.00 44.32 H new ATOM 0 HG23 VAL A 94 -12.852 -5.559 -14.298 1.00 44.32 H new ATOM 1499 N LYS A 95 -15.249 -5.025 -12.610 1.00 3.23 N ATOM 1500 CA LYS A 95 -15.294 -5.900 -11.444 1.00 62.21 C ATOM 1501 C LYS A 95 -14.936 -7.333 -11.826 1.00 43.15 C ATOM 1502 O LYS A 95 -14.455 -8.104 -10.995 1.00 52.14 O ATOM 1503 CB LYS A 95 -16.685 -5.862 -10.806 1.00 41.52 C ATOM 1504 CG LYS A 95 -16.679 -6.160 -9.316 1.00 10.25 C ATOM 1505 CD LYS A 95 -17.690 -5.304 -8.573 1.00 1.53 C ATOM 1506 CE LYS A 95 -17.067 -4.005 -8.084 1.00 22.41 C ATOM 1507 NZ LYS A 95 -18.102 -2.997 -7.720 1.00 41.30 N ATOM 0 H LYS A 95 -16.011 -5.167 -13.273 1.00 3.23 H new ATOM 0 HA LYS A 95 -14.560 -5.541 -10.722 1.00 62.21 H new ATOM 0 HB2 LYS A 95 -17.124 -4.878 -10.969 1.00 41.52 H new ATOM 0 HB3 LYS A 95 -17.327 -6.585 -11.310 1.00 41.52 H new ATOM 0 HG2 LYS A 95 -16.904 -7.214 -9.154 1.00 10.25 H new ATOM 0 HG3 LYS A 95 -15.683 -5.981 -8.912 1.00 10.25 H new ATOM 0 HD2 LYS A 95 -18.532 -5.081 -9.229 1.00 1.53 H new ATOM 0 HD3 LYS A 95 -18.086 -5.861 -7.724 1.00 1.53 H new ATOM 0 HE2 LYS A 95 -16.437 -4.208 -7.218 1.00 22.41 H new ATOM 0 HE3 LYS A 95 -16.420 -3.597 -8.861 1.00 22.41 H new ATOM 0 HZ1 LYS A 95 -17.638 -2.126 -7.392 1.00 41.30 H new ATOM 0 HZ2 LYS A 95 -18.688 -2.785 -8.553 1.00 41.30 H new ATOM 0 HZ3 LYS A 95 -18.704 -3.376 -6.961 1.00 41.30 H new ATOM 1521 N ASP A 96 -15.174 -7.682 -13.085 1.00 1.24 N ATOM 1522 CA ASP A 96 -14.874 -9.021 -13.576 1.00 31.21 C ATOM 1523 C ASP A 96 -14.443 -8.980 -15.039 1.00 43.01 C ATOM 1524 O ASP A 96 -14.542 -7.944 -15.698 1.00 75.44 O ATOM 1525 CB ASP A 96 -16.094 -9.931 -13.416 1.00 10.42 C ATOM 1526 CG ASP A 96 -17.376 -9.265 -13.874 1.00 2.24 C ATOM 1527 OD1 ASP A 96 -17.502 -8.988 -15.086 1.00 12.20 O ATOM 1528 OD2 ASP A 96 -18.255 -9.022 -13.021 1.00 5.32 O ATOM 0 H ASP A 96 -15.574 -7.056 -13.784 1.00 1.24 H new ATOM 0 HA ASP A 96 -14.051 -9.422 -12.985 1.00 31.21 H new ATOM 0 HB2 ASP A 96 -15.939 -10.846 -13.988 1.00 10.42 H new ATOM 0 HB3 ASP A 96 -16.192 -10.222 -12.370 1.00 10.42 H new ATOM 1533 N THR A 97 -13.964 -10.113 -15.542 1.00 0.20 N ATOM 1534 CA THR A 97 -13.515 -10.206 -16.926 1.00 75.34 C ATOM 1535 C THR A 97 -14.670 -9.979 -17.894 1.00 73.13 C ATOM 1536 O THR A 97 -14.470 -9.524 -19.020 1.00 12.32 O ATOM 1537 CB THR A 97 -12.877 -11.577 -17.218 1.00 20.22 C ATOM 1538 OG1 THR A 97 -11.742 -11.781 -16.368 1.00 32.33 O ATOM 1539 CG2 THR A 97 -12.449 -11.675 -18.675 1.00 1.41 C ATOM 0 H THR A 97 -13.877 -10.980 -15.011 1.00 0.20 H new ATOM 0 HA THR A 97 -12.766 -9.427 -17.069 1.00 75.34 H new ATOM 0 HB THR A 97 -13.621 -12.349 -17.021 1.00 20.22 H new ATOM 0 HG1 THR A 97 -12.009 -11.666 -15.432 1.00 32.33 H new ATOM 0 HG21 THR A 97 -12.001 -12.652 -18.858 1.00 1.41 H new ATOM 0 HG22 THR A 97 -13.319 -11.549 -19.319 1.00 1.41 H new ATOM 0 HG23 THR A 97 -11.720 -10.895 -18.893 1.00 1.41 H new ATOM 1547 N LYS A 98 -15.881 -10.299 -17.450 1.00 65.23 N ATOM 1548 CA LYS A 98 -17.069 -10.129 -18.276 1.00 25.52 C ATOM 1549 C LYS A 98 -17.333 -8.652 -18.551 1.00 25.24 C ATOM 1550 O LYS A 98 -17.743 -8.280 -19.651 1.00 43.10 O ATOM 1551 CB LYS A 98 -18.287 -10.755 -17.591 1.00 40.22 C ATOM 1552 CG LYS A 98 -19.459 -10.987 -18.527 1.00 34.15 C ATOM 1553 CD LYS A 98 -20.707 -10.265 -18.048 1.00 30.52 C ATOM 1554 CE LYS A 98 -21.972 -10.959 -18.529 1.00 71.43 C ATOM 1555 NZ LYS A 98 -22.171 -12.276 -17.862 1.00 15.21 N ATOM 0 H LYS A 98 -16.065 -10.678 -16.521 1.00 65.23 H new ATOM 0 HA LYS A 98 -16.895 -10.633 -19.226 1.00 25.52 H new ATOM 0 HB2 LYS A 98 -17.994 -11.706 -17.146 1.00 40.22 H new ATOM 0 HB3 LYS A 98 -18.607 -10.107 -16.775 1.00 40.22 H new ATOM 0 HG2 LYS A 98 -19.200 -10.642 -19.528 1.00 34.15 H new ATOM 0 HG3 LYS A 98 -19.661 -12.056 -18.600 1.00 34.15 H new ATOM 0 HD2 LYS A 98 -20.707 -10.220 -16.959 1.00 30.52 H new ATOM 0 HD3 LYS A 98 -20.695 -9.237 -18.409 1.00 30.52 H new ATOM 0 HE2 LYS A 98 -22.833 -10.320 -18.334 1.00 71.43 H new ATOM 0 HE3 LYS A 98 -21.919 -11.103 -19.608 1.00 71.43 H new ATOM 0 HZ1 LYS A 98 -23.169 -12.559 -17.943 1.00 15.21 H new ATOM 0 HZ2 LYS A 98 -21.570 -12.991 -18.320 1.00 15.21 H new ATOM 0 HZ3 LYS A 98 -21.913 -12.199 -16.857 1.00 15.21 H new ATOM 1569 N GLU A 99 -17.094 -7.814 -17.546 1.00 54.00 N ATOM 1570 CA GLU A 99 -17.305 -6.377 -17.683 1.00 73.14 C ATOM 1571 C GLU A 99 -16.228 -5.750 -18.564 1.00 73.15 C ATOM 1572 O GLU A 99 -16.527 -4.973 -19.469 1.00 31.12 O ATOM 1573 CB GLU A 99 -17.309 -5.708 -16.307 1.00 33.02 C ATOM 1574 CG GLU A 99 -18.699 -5.342 -15.813 1.00 2.24 C ATOM 1575 CD GLU A 99 -18.681 -4.199 -14.816 1.00 40.54 C ATOM 1576 OE1 GLU A 99 -18.568 -4.473 -13.603 1.00 51.24 O ATOM 1577 OE2 GLU A 99 -18.779 -3.032 -15.247 1.00 0.14 O ATOM 0 H GLU A 99 -16.755 -8.105 -16.629 1.00 54.00 H new ATOM 0 HA GLU A 99 -18.273 -6.221 -18.158 1.00 73.14 H new ATOM 0 HB2 GLU A 99 -16.840 -6.377 -15.585 1.00 33.02 H new ATOM 0 HB3 GLU A 99 -16.698 -4.806 -16.349 1.00 33.02 H new ATOM 0 HG2 GLU A 99 -19.322 -5.067 -16.664 1.00 2.24 H new ATOM 0 HG3 GLU A 99 -19.158 -6.216 -15.350 1.00 2.24 H new ATOM 1584 N ALA A 100 -14.974 -6.095 -18.290 1.00 62.35 N ATOM 1585 CA ALA A 100 -13.852 -5.568 -19.057 1.00 21.31 C ATOM 1586 C ALA A 100 -14.006 -5.883 -20.541 1.00 52.24 C ATOM 1587 O ALA A 100 -13.469 -5.176 -21.395 1.00 22.40 O ATOM 1588 CB ALA A 100 -12.541 -6.130 -18.529 1.00 63.31 C ATOM 0 H ALA A 100 -14.710 -6.737 -17.543 1.00 62.35 H new ATOM 0 HA ALA A 100 -13.842 -4.484 -18.942 1.00 21.31 H new ATOM 0 HB1 ALA A 100 -11.712 -5.728 -19.111 1.00 63.31 H new ATOM 0 HB2 ALA A 100 -12.420 -5.849 -17.483 1.00 63.31 H new ATOM 0 HB3 ALA A 100 -12.550 -7.217 -18.614 1.00 63.31 H new ATOM 1594 N LEU A 101 -14.741 -6.949 -20.842 1.00 1.41 N ATOM 1595 CA LEU A 101 -14.964 -7.358 -22.224 1.00 42.20 C ATOM 1596 C LEU A 101 -15.980 -6.447 -22.904 1.00 13.14 C ATOM 1597 O LEU A 101 -15.718 -5.898 -23.975 1.00 5.32 O ATOM 1598 CB LEU A 101 -15.447 -8.809 -22.275 1.00 24.04 C ATOM 1599 CG LEU A 101 -14.896 -9.661 -23.419 1.00 45.41 C ATOM 1600 CD1 LEU A 101 -15.150 -8.986 -24.758 1.00 63.14 C ATOM 1601 CD2 LEU A 101 -13.408 -9.917 -23.223 1.00 60.32 C ATOM 0 H LEU A 101 -15.192 -7.545 -20.148 1.00 1.41 H new ATOM 0 HA LEU A 101 -14.017 -7.278 -22.759 1.00 42.20 H new ATOM 0 HB2 LEU A 101 -15.187 -9.291 -21.332 1.00 24.04 H new ATOM 0 HB3 LEU A 101 -16.535 -8.806 -22.342 1.00 24.04 H new ATOM 0 HG LEU A 101 -15.414 -10.620 -23.415 1.00 45.41 H new ATOM 0 HD11 LEU A 101 -14.751 -9.607 -25.560 1.00 63.14 H new ATOM 0 HD12 LEU A 101 -16.222 -8.853 -24.901 1.00 63.14 H new ATOM 0 HD13 LEU A 101 -14.659 -8.013 -24.774 1.00 63.14 H new ATOM 0 HD21 LEU A 101 -13.032 -10.525 -24.046 1.00 60.32 H new ATOM 0 HD22 LEU A 101 -12.875 -8.966 -23.201 1.00 60.32 H new ATOM 0 HD23 LEU A 101 -13.250 -10.443 -22.282 1.00 60.32 H new ATOM 1613 N ASP A 102 -17.140 -6.290 -22.276 1.00 4.40 N ATOM 1614 CA ASP A 102 -18.195 -5.443 -22.819 1.00 63.42 C ATOM 1615 C ASP A 102 -17.713 -4.003 -22.968 1.00 31.41 C ATOM 1616 O ASP A 102 -18.074 -3.312 -23.921 1.00 44.41 O ATOM 1617 CB ASP A 102 -19.430 -5.489 -21.919 1.00 44.32 C ATOM 1618 CG ASP A 102 -20.714 -5.667 -22.704 1.00 33.35 C ATOM 1619 OD1 ASP A 102 -20.720 -6.475 -23.658 1.00 42.43 O ATOM 1620 OD2 ASP A 102 -21.714 -4.999 -22.367 1.00 12.21 O ATOM 0 H ASP A 102 -17.373 -6.738 -21.390 1.00 4.40 H new ATOM 0 HA ASP A 102 -18.460 -5.823 -23.806 1.00 63.42 H new ATOM 0 HB2 ASP A 102 -19.327 -6.308 -21.207 1.00 44.32 H new ATOM 0 HB3 ASP A 102 -19.487 -4.568 -21.339 1.00 44.32 H new ATOM 1625 N LYS A 103 -16.896 -3.556 -22.020 1.00 72.54 N ATOM 1626 CA LYS A 103 -16.364 -2.200 -22.044 1.00 1.05 C ATOM 1627 C LYS A 103 -15.523 -1.967 -23.296 1.00 60.02 C ATOM 1628 O LYS A 103 -15.704 -0.974 -24.000 1.00 11.54 O ATOM 1629 CB LYS A 103 -15.521 -1.938 -20.795 1.00 24.52 C ATOM 1630 CG LYS A 103 -16.252 -1.148 -19.723 1.00 44.22 C ATOM 1631 CD LYS A 103 -17.118 -2.050 -18.859 1.00 10.14 C ATOM 1632 CE LYS A 103 -18.115 -1.247 -18.039 1.00 21.21 C ATOM 1633 NZ LYS A 103 -19.462 -1.218 -18.675 1.00 54.34 N ATOM 0 H LYS A 103 -16.588 -4.115 -21.224 1.00 72.54 H new ATOM 0 HA LYS A 103 -17.205 -1.507 -22.059 1.00 1.05 H new ATOM 0 HB2 LYS A 103 -15.200 -2.892 -20.376 1.00 24.52 H new ATOM 0 HB3 LYS A 103 -14.619 -1.397 -21.082 1.00 24.52 H new ATOM 0 HG2 LYS A 103 -15.528 -0.628 -19.096 1.00 44.22 H new ATOM 0 HG3 LYS A 103 -16.874 -0.385 -20.192 1.00 44.22 H new ATOM 0 HD2 LYS A 103 -17.653 -2.758 -19.492 1.00 10.14 H new ATOM 0 HD3 LYS A 103 -16.484 -2.635 -18.192 1.00 10.14 H new ATOM 0 HE2 LYS A 103 -18.194 -1.677 -17.041 1.00 21.21 H new ATOM 0 HE3 LYS A 103 -17.748 -0.228 -17.918 1.00 21.21 H new ATOM 0 HZ1 LYS A 103 -20.113 -0.661 -18.085 1.00 54.34 H new ATOM 0 HZ2 LYS A 103 -19.392 -0.784 -19.618 1.00 54.34 H new ATOM 0 HZ3 LYS A 103 -19.823 -2.189 -18.767 1.00 54.34 H new ATOM 1647 N ILE A 104 -14.606 -2.890 -23.566 1.00 73.23 N ATOM 1648 CA ILE A 104 -13.740 -2.787 -24.735 1.00 63.13 C ATOM 1649 C ILE A 104 -14.530 -2.987 -26.024 1.00 44.11 C ATOM 1650 O ILE A 104 -14.324 -2.274 -27.005 1.00 23.52 O ATOM 1651 CB ILE A 104 -12.597 -3.818 -24.681 1.00 41.22 C ATOM 1652 CG1 ILE A 104 -11.764 -3.622 -23.412 1.00 54.13 C ATOM 1653 CG2 ILE A 104 -11.722 -3.702 -25.919 1.00 10.52 C ATOM 1654 CD1 ILE A 104 -10.849 -4.786 -23.105 1.00 54.30 C ATOM 0 H ILE A 104 -14.443 -3.717 -22.992 1.00 73.23 H new ATOM 0 HA ILE A 104 -13.314 -1.784 -24.725 1.00 63.13 H new ATOM 0 HB ILE A 104 -13.029 -4.818 -24.658 1.00 41.22 H new ATOM 0 HG12 ILE A 104 -11.165 -2.717 -23.516 1.00 54.13 H new ATOM 0 HG13 ILE A 104 -12.435 -3.465 -22.567 1.00 54.13 H new ATOM 0 HG21 ILE A 104 -10.919 -4.437 -25.867 1.00 10.52 H new ATOM 0 HG22 ILE A 104 -12.324 -3.885 -26.809 1.00 10.52 H new ATOM 0 HG23 ILE A 104 -11.295 -2.700 -25.970 1.00 10.52 H new ATOM 0 HD11 ILE A 104 -10.290 -4.578 -22.193 1.00 54.30 H new ATOM 0 HD12 ILE A 104 -11.443 -5.690 -22.969 1.00 54.30 H new ATOM 0 HD13 ILE A 104 -10.154 -4.930 -23.932 1.00 54.30 H new