USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 501 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 31 LYS NZ :NH3+ 138:sc= -2.93! (180deg=-1.74) USER MOD Set 1.2: A 43 GLN : amide:sc= 0.22 K(o=-2.7,f=-7.3) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 39:sc= 0.976 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0601 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.264 X(o=-0.26,f=-0.2) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 58:sc= 0.481 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot 65:sc= -1.26 USER MOD Single : A 48 SER OG : rot 55:sc= 0.455 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= -0.677 USER MOD Single : A 63 SER OG : rot 46:sc= 0.415 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 39:sc= 0.871 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.806 -28.331 1.526 1.00 0.00 N ATOM 2 CA GLY A 1 -11.626 -28.777 2.244 1.00 0.00 C ATOM 3 C GLY A 1 -10.341 -28.275 1.617 1.00 0.00 C ATOM 4 O GLY A 1 -9.503 -27.679 2.294 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.658 -28.701 1.994 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.837 -27.291 1.521 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.770 -28.681 0.547 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.681 -28.433 3.277 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.612 -29.867 2.272 1.00 0.00 H new ATOM 8 N SER A 2 -10.183 -28.518 0.320 1.00 0.00 N ATOM 9 CA SER A 2 -8.987 -28.091 -0.398 1.00 0.00 C ATOM 10 C SER A 2 -9.284 -26.880 -1.276 1.00 0.00 C ATOM 11 O SER A 2 -9.848 -27.010 -2.362 1.00 0.00 O ATOM 12 CB SER A 2 -8.445 -29.236 -1.255 1.00 0.00 C ATOM 13 OG SER A 2 -9.390 -29.633 -2.233 1.00 0.00 O ATOM 0 H SER A 2 -10.868 -29.008 -0.255 1.00 0.00 H new ATOM 0 HA SER A 2 -8.233 -27.809 0.337 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.522 -28.924 -1.743 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.198 -30.085 -0.618 1.00 0.00 H new ATOM 0 HG SER A 2 -9.837 -28.840 -2.596 1.00 0.00 H new ATOM 19 N SER A 3 -8.900 -25.701 -0.797 1.00 0.00 N ATOM 20 CA SER A 3 -9.128 -24.464 -1.536 1.00 0.00 C ATOM 21 C SER A 3 -8.060 -23.427 -1.202 1.00 0.00 C ATOM 22 O SER A 3 -7.441 -23.477 -0.140 1.00 0.00 O ATOM 23 CB SER A 3 -10.516 -23.904 -1.219 1.00 0.00 C ATOM 24 OG SER A 3 -10.668 -22.594 -1.735 1.00 0.00 O ATOM 0 H SER A 3 -8.430 -25.576 0.099 1.00 0.00 H new ATOM 0 HA SER A 3 -9.070 -24.690 -2.601 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.280 -24.556 -1.643 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.669 -23.893 -0.140 1.00 0.00 H new ATOM 0 HG SER A 3 -11.564 -22.260 -1.520 1.00 0.00 H new ATOM 30 N GLY A 4 -7.851 -22.486 -2.117 1.00 0.00 N ATOM 31 CA GLY A 4 -6.858 -21.450 -1.903 1.00 0.00 C ATOM 32 C GLY A 4 -7.167 -20.182 -2.675 1.00 0.00 C ATOM 33 O GLY A 4 -6.869 -20.084 -3.865 1.00 0.00 O ATOM 0 H GLY A 4 -8.352 -22.423 -3.003 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.802 -21.219 -0.839 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.878 -21.823 -2.201 1.00 0.00 H new ATOM 37 N SER A 5 -7.767 -19.210 -1.996 1.00 0.00 N ATOM 38 CA SER A 5 -8.122 -17.944 -2.627 1.00 0.00 C ATOM 39 C SER A 5 -6.986 -16.934 -2.496 1.00 0.00 C ATOM 40 O SER A 5 -6.737 -16.400 -1.414 1.00 0.00 O ATOM 41 CB SER A 5 -9.398 -17.377 -2.002 1.00 0.00 C ATOM 42 OG SER A 5 -9.798 -16.183 -2.651 1.00 0.00 O ATOM 0 H SER A 5 -8.018 -19.275 -1.009 1.00 0.00 H new ATOM 0 HA SER A 5 -8.298 -18.132 -3.686 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.197 -18.115 -2.067 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.231 -17.180 -0.943 1.00 0.00 H new ATOM 0 HG SER A 5 -10.616 -15.842 -2.234 1.00 0.00 H new ATOM 48 N SER A 6 -6.299 -16.677 -3.604 1.00 0.00 N ATOM 49 CA SER A 6 -5.186 -15.735 -3.613 1.00 0.00 C ATOM 50 C SER A 6 -4.864 -15.288 -5.036 1.00 0.00 C ATOM 51 O SER A 6 -5.022 -16.050 -5.989 1.00 0.00 O ATOM 52 CB SER A 6 -3.949 -16.367 -2.973 1.00 0.00 C ATOM 53 OG SER A 6 -3.303 -17.249 -3.874 1.00 0.00 O ATOM 0 H SER A 6 -6.494 -17.108 -4.508 1.00 0.00 H new ATOM 0 HA SER A 6 -5.479 -14.860 -3.033 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.255 -15.585 -2.665 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.238 -16.909 -2.073 1.00 0.00 H new ATOM 0 HG SER A 6 -2.515 -17.639 -3.442 1.00 0.00 H new ATOM 59 N GLY A 7 -4.411 -14.045 -5.171 1.00 0.00 N ATOM 60 CA GLY A 7 -4.073 -13.517 -6.480 1.00 0.00 C ATOM 61 C GLY A 7 -3.174 -12.299 -6.400 1.00 0.00 C ATOM 62 O GLY A 7 -2.504 -12.061 -5.394 1.00 0.00 O ATOM 0 H GLY A 7 -4.272 -13.395 -4.398 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.578 -14.293 -7.064 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.989 -13.255 -7.010 1.00 0.00 H new ATOM 66 N PRO A 8 -3.150 -11.505 -7.480 1.00 0.00 N ATOM 67 CA PRO A 8 -2.329 -10.292 -7.552 1.00 0.00 C ATOM 68 C PRO A 8 -2.840 -9.190 -6.631 1.00 0.00 C ATOM 69 O PRO A 8 -4.014 -8.822 -6.680 1.00 0.00 O ATOM 70 CB PRO A 8 -2.454 -9.866 -9.017 1.00 0.00 C ATOM 71 CG PRO A 8 -3.753 -10.438 -9.468 1.00 0.00 C ATOM 72 CD PRO A 8 -3.922 -11.728 -8.713 1.00 0.00 C ATOM 0 HA PRO A 8 -1.303 -10.475 -7.233 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.444 -8.781 -9.116 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.625 -10.248 -9.613 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -4.575 -9.753 -9.259 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.750 -10.613 -10.544 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.971 -11.934 -8.499 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.539 -12.578 -9.279 1.00 0.00 H new ATOM 80 N ARG A 9 -1.952 -8.666 -5.793 1.00 0.00 N ATOM 81 CA ARG A 9 -2.314 -7.606 -4.860 1.00 0.00 C ATOM 82 C ARG A 9 -1.076 -6.845 -4.395 1.00 0.00 C ATOM 83 O ARG A 9 -0.009 -7.429 -4.208 1.00 0.00 O ATOM 84 CB ARG A 9 -3.051 -8.189 -3.653 1.00 0.00 C ATOM 85 CG ARG A 9 -3.774 -7.145 -2.818 1.00 0.00 C ATOM 86 CD ARG A 9 -4.776 -7.786 -1.870 1.00 0.00 C ATOM 87 NE ARG A 9 -6.013 -8.159 -2.551 1.00 0.00 N ATOM 88 CZ ARG A 9 -6.933 -8.957 -2.019 1.00 0.00 C ATOM 89 NH1 ARG A 9 -6.755 -9.462 -0.806 1.00 0.00 N ATOM 90 NH2 ARG A 9 -8.032 -9.250 -2.701 1.00 0.00 N ATOM 0 H ARG A 9 -0.976 -8.958 -5.741 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.974 -6.910 -5.378 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.773 -8.927 -4.001 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.336 -8.716 -3.021 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.047 -6.568 -2.246 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.290 -6.445 -3.475 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -4.331 -8.672 -1.417 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -5.003 -7.093 -1.060 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.180 -7.787 -3.486 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -5.911 -9.238 -0.279 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -7.462 -10.074 -0.400 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -8.171 -8.863 -3.634 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -8.738 -9.863 -2.292 1.00 0.00 H new ATOM 104 N LEU A 10 -1.227 -5.538 -4.211 1.00 0.00 N ATOM 105 CA LEU A 10 -0.121 -4.695 -3.768 1.00 0.00 C ATOM 106 C LEU A 10 1.159 -5.035 -4.524 1.00 0.00 C ATOM 107 O LEU A 10 2.199 -5.293 -3.918 1.00 0.00 O ATOM 108 CB LEU A 10 0.102 -4.862 -2.263 1.00 0.00 C ATOM 109 CG LEU A 10 -0.713 -3.937 -1.358 1.00 0.00 C ATOM 110 CD1 LEU A 10 -2.203 -4.171 -1.558 1.00 0.00 C ATOM 111 CD2 LEU A 10 -0.330 -4.145 0.100 1.00 0.00 C ATOM 0 H LEU A 10 -2.104 -5.039 -4.361 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.380 -3.657 -3.978 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.126 -5.894 -1.994 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.160 -4.704 -2.053 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.489 -2.905 -1.629 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.767 -3.504 -0.906 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.466 -3.971 -2.597 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.445 -5.206 -1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.920 -3.479 0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.525 -5.179 0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.730 -3.926 0.233 1.00 0.00 H new ATOM 123 N TRP A 11 1.076 -5.031 -5.849 1.00 0.00 N ATOM 124 CA TRP A 11 2.229 -5.337 -6.688 1.00 0.00 C ATOM 125 C TRP A 11 3.060 -4.086 -6.949 1.00 0.00 C ATOM 126 O TRP A 11 2.556 -2.967 -6.862 1.00 0.00 O ATOM 127 CB TRP A 11 1.773 -5.947 -8.014 1.00 0.00 C ATOM 128 CG TRP A 11 0.993 -4.995 -8.869 1.00 0.00 C ATOM 129 CD1 TRP A 11 1.427 -3.803 -9.374 1.00 0.00 C ATOM 130 CD2 TRP A 11 -0.358 -5.154 -9.317 1.00 0.00 C ATOM 131 NE1 TRP A 11 0.428 -3.211 -10.109 1.00 0.00 N ATOM 132 CE2 TRP A 11 -0.677 -4.021 -10.090 1.00 0.00 C ATOM 133 CE3 TRP A 11 -1.328 -6.145 -9.141 1.00 0.00 C ATOM 134 CZ2 TRP A 11 -1.925 -3.853 -10.684 1.00 0.00 C ATOM 135 CZ3 TRP A 11 -2.566 -5.976 -9.731 1.00 0.00 C ATOM 136 CH2 TRP A 11 -2.856 -4.838 -10.495 1.00 0.00 C ATOM 0 H TRP A 11 0.223 -4.819 -6.366 1.00 0.00 H new ATOM 0 HA TRP A 11 2.851 -6.059 -6.159 1.00 0.00 H new ATOM 0 HB2 TRP A 11 2.647 -6.289 -8.568 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.161 -6.826 -7.810 1.00 0.00 H new ATOM 0 HD1 TRP A 11 2.411 -3.386 -9.219 1.00 0.00 H new ATOM 0 HE1 TRP A 11 0.498 -2.314 -10.590 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -1.114 -7.026 -8.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -2.150 -2.976 -11.273 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.324 -6.735 -9.601 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -3.833 -4.736 -10.943 1.00 0.00 H new ATOM 147 N GLU A 12 4.335 -4.283 -7.268 1.00 0.00 N ATOM 148 CA GLU A 12 5.235 -3.168 -7.541 1.00 0.00 C ATOM 149 C GLU A 12 4.709 -2.313 -8.690 1.00 0.00 C ATOM 150 O GLU A 12 4.585 -2.782 -9.821 1.00 0.00 O ATOM 151 CB GLU A 12 6.636 -3.685 -7.875 1.00 0.00 C ATOM 152 CG GLU A 12 7.407 -4.180 -6.663 1.00 0.00 C ATOM 153 CD GLU A 12 8.829 -4.582 -7.001 1.00 0.00 C ATOM 154 OE1 GLU A 12 9.553 -3.757 -7.597 1.00 0.00 O ATOM 155 OE2 GLU A 12 9.219 -5.721 -6.669 1.00 0.00 O ATOM 0 H GLU A 12 4.768 -5.203 -7.344 1.00 0.00 H new ATOM 0 HA GLU A 12 5.288 -2.549 -6.645 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.552 -4.496 -8.598 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.203 -2.888 -8.355 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.425 -3.398 -5.904 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.886 -5.033 -6.229 1.00 0.00 H new ATOM 162 N GLY A 13 4.401 -1.055 -8.390 1.00 0.00 N ATOM 163 CA GLY A 13 3.891 -0.154 -9.408 1.00 0.00 C ATOM 164 C GLY A 13 2.379 -0.051 -9.386 1.00 0.00 C ATOM 165 O GLY A 13 1.746 0.093 -10.431 1.00 0.00 O ATOM 0 H GLY A 13 4.495 -0.644 -7.461 1.00 0.00 H new ATOM 0 HA2 GLY A 13 4.322 0.836 -9.261 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.214 -0.500 -10.390 1.00 0.00 H new ATOM 169 N GLN A 14 1.799 -0.126 -8.192 1.00 0.00 N ATOM 170 CA GLN A 14 0.351 -0.042 -8.040 1.00 0.00 C ATOM 171 C GLN A 14 -0.034 1.114 -7.122 1.00 0.00 C ATOM 172 O GLN A 14 0.364 1.154 -5.958 1.00 0.00 O ATOM 173 CB GLN A 14 -0.201 -1.356 -7.483 1.00 0.00 C ATOM 174 CG GLN A 14 -1.535 -1.202 -6.772 1.00 0.00 C ATOM 175 CD GLN A 14 -2.361 -2.473 -6.799 1.00 0.00 C ATOM 176 OE1 GLN A 14 -2.813 -2.910 -7.858 1.00 0.00 O ATOM 177 NE2 GLN A 14 -2.563 -3.074 -5.633 1.00 0.00 N ATOM 0 H GLN A 14 2.309 -0.245 -7.317 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.083 0.139 -9.024 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.314 -2.068 -8.300 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.525 -1.780 -6.789 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -1.359 -0.910 -5.737 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.100 -0.396 -7.239 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.170 -2.677 -4.780 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -3.111 -3.933 -5.590 1.00 0.00 H new ATOM 186 N ASP A 15 -0.809 2.052 -7.655 1.00 0.00 N ATOM 187 CA ASP A 15 -1.249 3.209 -6.884 1.00 0.00 C ATOM 188 C ASP A 15 -2.095 2.777 -5.691 1.00 0.00 C ATOM 189 O ASP A 15 -3.186 2.231 -5.855 1.00 0.00 O ATOM 190 CB ASP A 15 -2.046 4.167 -7.771 1.00 0.00 C ATOM 191 CG ASP A 15 -3.352 3.562 -8.249 1.00 0.00 C ATOM 192 OD1 ASP A 15 -3.344 2.892 -9.302 1.00 0.00 O ATOM 193 OD2 ASP A 15 -4.381 3.759 -7.569 1.00 0.00 O ATOM 0 H ASP A 15 -1.146 2.034 -8.618 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.364 3.724 -6.511 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -2.254 5.082 -7.217 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.441 4.447 -8.634 1.00 0.00 H new ATOM 198 N VAL A 16 -1.585 3.025 -4.489 1.00 0.00 N ATOM 199 CA VAL A 16 -2.294 2.662 -3.267 1.00 0.00 C ATOM 200 C VAL A 16 -2.367 3.841 -2.303 1.00 0.00 C ATOM 201 O VAL A 16 -1.718 4.867 -2.510 1.00 0.00 O ATOM 202 CB VAL A 16 -1.617 1.474 -2.558 1.00 0.00 C ATOM 203 CG1 VAL A 16 -1.564 0.263 -3.476 1.00 0.00 C ATOM 204 CG2 VAL A 16 -0.222 1.859 -2.088 1.00 0.00 C ATOM 0 H VAL A 16 -0.683 3.476 -4.335 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.303 2.374 -3.560 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.211 1.210 -1.683 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.082 -0.566 -2.957 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.577 -0.025 -3.758 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.995 0.510 -4.372 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.242 1.008 -1.589 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.383 2.151 -2.946 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -0.290 2.695 -1.391 1.00 0.00 H new ATOM 214 N LEU A 17 -3.161 3.687 -1.249 1.00 0.00 N ATOM 215 CA LEU A 17 -3.319 4.739 -0.251 1.00 0.00 C ATOM 216 C LEU A 17 -2.812 4.278 1.111 1.00 0.00 C ATOM 217 O LEU A 17 -3.415 3.417 1.750 1.00 0.00 O ATOM 218 CB LEU A 17 -4.788 5.154 -0.147 1.00 0.00 C ATOM 219 CG LEU A 17 -5.434 5.665 -1.436 1.00 0.00 C ATOM 220 CD1 LEU A 17 -6.892 6.024 -1.196 1.00 0.00 C ATOM 221 CD2 LEU A 17 -4.669 6.865 -1.976 1.00 0.00 C ATOM 0 H LEU A 17 -3.705 2.844 -1.064 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.726 5.598 -0.567 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.362 4.299 0.209 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.872 5.932 0.611 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.395 4.869 -2.180 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.335 6.386 -2.124 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.433 5.141 -0.855 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.955 6.803 -0.436 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.142 7.216 -2.893 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.676 7.665 -1.235 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.640 6.575 -2.187 1.00 0.00 H new ATOM 233 N ALA A 18 -1.700 4.859 1.551 1.00 0.00 N ATOM 234 CA ALA A 18 -1.114 4.511 2.839 1.00 0.00 C ATOM 235 C ALA A 18 -1.617 5.439 3.940 1.00 0.00 C ATOM 236 O ALA A 18 -1.464 6.658 3.855 1.00 0.00 O ATOM 237 CB ALA A 18 0.405 4.560 2.758 1.00 0.00 C ATOM 0 H ALA A 18 -1.187 5.573 1.034 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.421 3.495 3.088 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.830 4.298 3.727 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.752 3.851 2.006 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.722 5.566 2.483 1.00 0.00 H new ATOM 243 N ARG A 19 -2.218 4.855 4.971 1.00 0.00 N ATOM 244 CA ARG A 19 -2.745 5.630 6.087 1.00 0.00 C ATOM 245 C ARG A 19 -1.613 6.220 6.923 1.00 0.00 C ATOM 246 O ARG A 19 -0.475 5.752 6.862 1.00 0.00 O ATOM 247 CB ARG A 19 -3.639 4.754 6.967 1.00 0.00 C ATOM 248 CG ARG A 19 -4.248 5.496 8.146 1.00 0.00 C ATOM 249 CD ARG A 19 -5.379 4.701 8.780 1.00 0.00 C ATOM 250 NE ARG A 19 -4.892 3.762 9.786 1.00 0.00 N ATOM 251 CZ ARG A 19 -4.423 2.553 9.497 1.00 0.00 C ATOM 252 NH1 ARG A 19 -4.378 2.139 8.239 1.00 0.00 N ATOM 253 NH2 ARG A 19 -3.998 1.756 10.469 1.00 0.00 N ATOM 0 H ARG A 19 -2.352 3.847 5.057 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.337 6.449 5.679 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.441 4.339 6.356 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.055 3.913 7.340 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.477 5.692 8.891 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.624 6.464 7.814 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.091 5.387 9.239 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.917 4.155 8.005 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.913 4.050 10.764 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.704 2.749 7.489 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.017 1.210 8.020 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.031 2.071 11.438 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.638 0.828 10.247 1.00 0.00 H new ATOM 267 N TRP A 20 -1.932 7.247 7.701 1.00 0.00 N ATOM 268 CA TRP A 20 -0.941 7.901 8.548 1.00 0.00 C ATOM 269 C TRP A 20 -1.380 7.889 10.008 1.00 0.00 C ATOM 270 O TRP A 20 -2.528 7.570 10.320 1.00 0.00 O ATOM 271 CB TRP A 20 -0.712 9.340 8.083 1.00 0.00 C ATOM 272 CG TRP A 20 0.296 9.455 6.980 1.00 0.00 C ATOM 273 CD1 TRP A 20 0.315 8.750 5.811 1.00 0.00 C ATOM 274 CD2 TRP A 20 1.432 10.325 6.944 1.00 0.00 C ATOM 275 NE1 TRP A 20 1.394 9.129 5.050 1.00 0.00 N ATOM 276 CE2 TRP A 20 2.095 10.095 5.723 1.00 0.00 C ATOM 277 CE3 TRP A 20 1.953 11.278 7.824 1.00 0.00 C ATOM 278 CZ2 TRP A 20 3.251 10.783 5.362 1.00 0.00 C ATOM 279 CZ3 TRP A 20 3.100 11.960 7.465 1.00 0.00 C ATOM 280 CH2 TRP A 20 3.739 11.710 6.243 1.00 0.00 C ATOM 0 H TRP A 20 -2.869 7.645 7.763 1.00 0.00 H new ATOM 0 HA TRP A 20 -0.006 7.347 8.465 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -1.659 9.760 7.745 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -0.382 9.940 8.931 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -0.412 8.004 5.526 1.00 0.00 H new ATOM 0 HE1 TRP A 20 1.634 8.753 4.133 1.00 0.00 H new ATOM 0 HE3 TRP A 20 1.468 11.478 8.768 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 3.745 10.592 4.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 3.511 12.698 8.138 1.00 0.00 H new ATOM 0 HH2 TRP A 20 4.634 12.260 5.991 1.00 0.00 H new ATOM 291 N THR A 21 -0.460 8.239 10.902 1.00 0.00 N ATOM 292 CA THR A 21 -0.753 8.268 12.329 1.00 0.00 C ATOM 293 C THR A 21 -2.131 8.861 12.596 1.00 0.00 C ATOM 294 O THR A 21 -2.936 8.283 13.326 1.00 0.00 O ATOM 295 CB THR A 21 0.302 9.081 13.103 1.00 0.00 C ATOM 296 OG1 THR A 21 1.609 8.550 12.855 1.00 0.00 O ATOM 297 CG2 THR A 21 0.015 9.059 14.596 1.00 0.00 C ATOM 0 H THR A 21 0.495 8.506 10.662 1.00 0.00 H new ATOM 0 HA THR A 21 -0.732 7.235 12.676 1.00 0.00 H new ATOM 0 HB THR A 21 0.258 10.114 12.757 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.274 9.073 13.349 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.773 9.640 15.121 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.968 9.491 14.784 1.00 0.00 H new ATOM 0 HG23 THR A 21 0.033 8.030 14.955 1.00 0.00 H new ATOM 305 N ASP A 22 -2.397 10.018 12.000 1.00 0.00 N ATOM 306 CA ASP A 22 -3.681 10.690 12.172 1.00 0.00 C ATOM 307 C ASP A 22 -4.836 9.737 11.880 1.00 0.00 C ATOM 308 O ASP A 22 -5.828 9.707 12.606 1.00 0.00 O ATOM 309 CB ASP A 22 -3.767 11.912 11.257 1.00 0.00 C ATOM 310 CG ASP A 22 -3.064 11.695 9.932 1.00 0.00 C ATOM 311 OD1 ASP A 22 -3.633 11.000 9.065 1.00 0.00 O ATOM 312 OD2 ASP A 22 -1.943 12.220 9.762 1.00 0.00 O ATOM 0 H ASP A 22 -1.741 10.510 11.394 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.757 11.017 13.209 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -4.814 12.152 11.074 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -3.327 12.772 11.762 1.00 0.00 H new ATOM 317 N GLY A 23 -4.700 8.961 10.809 1.00 0.00 N ATOM 318 CA GLY A 23 -5.740 8.019 10.438 1.00 0.00 C ATOM 319 C GLY A 23 -6.204 8.201 9.007 1.00 0.00 C ATOM 320 O GLY A 23 -6.790 7.293 8.416 1.00 0.00 O ATOM 0 H GLY A 23 -3.888 8.968 10.192 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.369 7.003 10.570 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.590 8.138 11.110 1.00 0.00 H new ATOM 324 N LEU A 24 -5.945 9.379 8.448 1.00 0.00 N ATOM 325 CA LEU A 24 -6.342 9.679 7.077 1.00 0.00 C ATOM 326 C LEU A 24 -5.477 8.915 6.080 1.00 0.00 C ATOM 327 O LEU A 24 -4.304 8.642 6.340 1.00 0.00 O ATOM 328 CB LEU A 24 -6.239 11.182 6.813 1.00 0.00 C ATOM 329 CG LEU A 24 -7.326 12.051 7.446 1.00 0.00 C ATOM 330 CD1 LEU A 24 -8.675 11.771 6.802 1.00 0.00 C ATOM 331 CD2 LEU A 24 -7.390 11.815 8.948 1.00 0.00 C ATOM 0 H LEU A 24 -5.462 10.141 8.923 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.377 9.364 6.947 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.270 11.528 7.173 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.255 11.343 5.735 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.075 13.097 7.274 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.437 12.398 7.265 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.622 11.992 5.736 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.935 10.722 6.943 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.169 12.442 9.382 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.617 10.767 9.142 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.429 12.067 9.397 1.00 0.00 H new ATOM 343 N LEU A 25 -6.062 8.573 4.937 1.00 0.00 N ATOM 344 CA LEU A 25 -5.344 7.843 3.899 1.00 0.00 C ATOM 345 C LEU A 25 -4.503 8.790 3.048 1.00 0.00 C ATOM 346 O LEU A 25 -4.966 9.858 2.649 1.00 0.00 O ATOM 347 CB LEU A 25 -6.329 7.080 3.011 1.00 0.00 C ATOM 348 CG LEU A 25 -7.245 6.086 3.724 1.00 0.00 C ATOM 349 CD1 LEU A 25 -8.220 5.457 2.741 1.00 0.00 C ATOM 350 CD2 LEU A 25 -6.425 5.013 4.425 1.00 0.00 C ATOM 0 H LEU A 25 -7.032 8.790 4.706 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.676 7.132 4.386 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.951 7.805 2.487 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.761 6.541 2.253 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.819 6.627 4.477 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.864 4.752 3.267 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.831 6.236 2.286 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.665 4.931 1.964 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.094 4.314 4.927 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.824 4.476 3.691 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.769 5.479 5.160 1.00 0.00 H new ATOM 362 N TYR A 26 -3.267 8.390 2.774 1.00 0.00 N ATOM 363 CA TYR A 26 -2.361 9.203 1.971 1.00 0.00 C ATOM 364 C TYR A 26 -1.990 8.488 0.675 1.00 0.00 C ATOM 365 O TYR A 26 -1.944 7.258 0.622 1.00 0.00 O ATOM 366 CB TYR A 26 -1.095 9.529 2.766 1.00 0.00 C ATOM 367 CG TYR A 26 -1.322 10.521 3.884 1.00 0.00 C ATOM 368 CD1 TYR A 26 -2.348 10.340 4.803 1.00 0.00 C ATOM 369 CD2 TYR A 26 -0.509 11.640 4.023 1.00 0.00 C ATOM 370 CE1 TYR A 26 -2.559 11.244 5.826 1.00 0.00 C ATOM 371 CE2 TYR A 26 -0.712 12.548 5.043 1.00 0.00 C ATOM 372 CZ TYR A 26 -1.738 12.346 5.942 1.00 0.00 C ATOM 373 OH TYR A 26 -1.944 13.249 6.960 1.00 0.00 O ATOM 0 H TYR A 26 -2.869 7.508 3.096 1.00 0.00 H new ATOM 0 HA TYR A 26 -2.874 10.131 1.719 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.692 8.607 3.185 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.341 9.926 2.086 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -2.992 9.477 4.716 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.295 11.802 3.321 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -3.362 11.089 6.531 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.071 13.412 5.136 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.889 12.788 7.823 1.00 0.00 H new ATOM 383 N LEU A 27 -1.728 9.267 -0.368 1.00 0.00 N ATOM 384 CA LEU A 27 -1.360 8.710 -1.665 1.00 0.00 C ATOM 385 C LEU A 27 0.033 8.092 -1.618 1.00 0.00 C ATOM 386 O LEU A 27 1.002 8.747 -1.236 1.00 0.00 O ATOM 387 CB LEU A 27 -1.412 9.796 -2.742 1.00 0.00 C ATOM 388 CG LEU A 27 -1.748 9.323 -4.156 1.00 0.00 C ATOM 389 CD1 LEU A 27 -2.192 10.493 -5.019 1.00 0.00 C ATOM 390 CD2 LEU A 27 -0.551 8.621 -4.782 1.00 0.00 C ATOM 0 H LEU A 27 -1.763 10.286 -0.341 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.076 7.926 -1.912 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.151 10.540 -2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.446 10.300 -2.769 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.571 8.611 -4.094 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.427 10.137 -6.022 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.078 10.953 -4.581 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.390 11.229 -5.074 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.808 8.291 -5.788 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.291 9.311 -4.831 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.278 7.757 -4.176 1.00 0.00 H new ATOM 402 N GLY A 28 0.127 6.825 -2.010 1.00 0.00 N ATOM 403 CA GLY A 28 1.406 6.140 -2.006 1.00 0.00 C ATOM 404 C GLY A 28 1.588 5.245 -3.216 1.00 0.00 C ATOM 405 O GLY A 28 0.615 4.852 -3.860 1.00 0.00 O ATOM 0 H GLY A 28 -0.660 6.261 -2.330 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.209 6.877 -1.979 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.491 5.541 -1.099 1.00 0.00 H new ATOM 409 N THR A 29 2.840 4.922 -3.529 1.00 0.00 N ATOM 410 CA THR A 29 3.147 4.071 -4.671 1.00 0.00 C ATOM 411 C THR A 29 3.926 2.833 -4.241 1.00 0.00 C ATOM 412 O THR A 29 4.993 2.939 -3.637 1.00 0.00 O ATOM 413 CB THR A 29 3.960 4.831 -5.736 1.00 0.00 C ATOM 414 OG1 THR A 29 3.285 6.042 -6.095 1.00 0.00 O ATOM 415 CG2 THR A 29 4.165 3.972 -6.975 1.00 0.00 C ATOM 0 H THR A 29 3.657 5.238 -3.007 1.00 0.00 H new ATOM 0 HA THR A 29 2.194 3.765 -5.102 1.00 0.00 H new ATOM 0 HB THR A 29 4.936 5.071 -5.314 1.00 0.00 H new ATOM 0 HG1 THR A 29 3.809 6.520 -6.771 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.742 4.530 -7.713 1.00 0.00 H new ATOM 0 HG22 THR A 29 4.704 3.065 -6.703 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.196 3.706 -7.397 1.00 0.00 H new ATOM 423 N ILE A 30 3.386 1.661 -4.557 1.00 0.00 N ATOM 424 CA ILE A 30 4.032 0.403 -4.204 1.00 0.00 C ATOM 425 C ILE A 30 5.411 0.294 -4.847 1.00 0.00 C ATOM 426 O ILE A 30 5.536 -0.086 -6.012 1.00 0.00 O ATOM 427 CB ILE A 30 3.181 -0.807 -4.632 1.00 0.00 C ATOM 428 CG1 ILE A 30 1.786 -0.722 -4.010 1.00 0.00 C ATOM 429 CG2 ILE A 30 3.867 -2.105 -4.232 1.00 0.00 C ATOM 430 CD1 ILE A 30 1.769 -0.995 -2.522 1.00 0.00 C ATOM 0 H ILE A 30 2.503 1.556 -5.057 1.00 0.00 H new ATOM 0 HA ILE A 30 4.138 0.396 -3.119 1.00 0.00 H new ATOM 0 HB ILE A 30 3.076 -0.794 -5.717 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.375 0.271 -4.194 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.130 -1.435 -4.509 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.253 -2.951 -4.541 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.841 -2.166 -4.718 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.999 -2.129 -3.150 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.748 -0.917 -2.149 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.149 -1.999 -2.332 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.398 -0.266 -2.011 1.00 0.00 H new ATOM 442 N LYS A 31 6.443 0.627 -4.081 1.00 0.00 N ATOM 443 CA LYS A 31 7.814 0.564 -4.573 1.00 0.00 C ATOM 444 C LYS A 31 8.370 -0.852 -4.457 1.00 0.00 C ATOM 445 O LYS A 31 8.983 -1.368 -5.392 1.00 0.00 O ATOM 446 CB LYS A 31 8.703 1.537 -3.795 1.00 0.00 C ATOM 447 CG LYS A 31 8.054 2.888 -3.547 1.00 0.00 C ATOM 448 CD LYS A 31 7.414 3.439 -4.811 1.00 0.00 C ATOM 449 CE LYS A 31 8.459 3.983 -5.773 1.00 0.00 C ATOM 450 NZ LYS A 31 9.320 5.015 -5.133 1.00 0.00 N ATOM 0 H LYS A 31 6.356 0.944 -3.115 1.00 0.00 H new ATOM 0 HA LYS A 31 7.808 0.848 -5.625 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.967 1.089 -2.837 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.633 1.685 -4.344 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.298 2.792 -2.767 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.802 3.591 -3.181 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.840 2.653 -5.302 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.712 4.230 -4.549 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.081 3.164 -6.134 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.963 4.413 -6.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.310 4.866 -5.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.012 5.961 -5.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.241 4.940 -4.099 1.00 0.00 H new ATOM 464 N LYS A 32 8.149 -1.476 -3.305 1.00 0.00 N ATOM 465 CA LYS A 32 8.625 -2.834 -3.068 1.00 0.00 C ATOM 466 C LYS A 32 7.574 -3.657 -2.330 1.00 0.00 C ATOM 467 O LYS A 32 6.716 -3.110 -1.637 1.00 0.00 O ATOM 468 CB LYS A 32 9.925 -2.807 -2.261 1.00 0.00 C ATOM 469 CG LYS A 32 10.766 -4.062 -2.420 1.00 0.00 C ATOM 470 CD LYS A 32 11.713 -4.251 -1.247 1.00 0.00 C ATOM 471 CE LYS A 32 13.034 -3.531 -1.477 1.00 0.00 C ATOM 472 NZ LYS A 32 13.939 -4.305 -2.371 1.00 0.00 N ATOM 0 H LYS A 32 7.644 -1.063 -2.521 1.00 0.00 H new ATOM 0 HA LYS A 32 8.814 -3.300 -4.035 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.515 -1.943 -2.567 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.685 -2.672 -1.206 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.113 -4.930 -2.505 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.339 -4.002 -3.345 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.246 -3.875 -0.337 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.898 -5.314 -1.095 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.842 -2.551 -1.914 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.527 -3.362 -0.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 14.828 -3.781 -2.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.143 -5.230 -1.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.479 -4.445 -3.293 1.00 0.00 H new ATOM 486 N VAL A 33 7.648 -4.976 -2.482 1.00 0.00 N ATOM 487 CA VAL A 33 6.704 -5.874 -1.828 1.00 0.00 C ATOM 488 C VAL A 33 7.420 -7.076 -1.220 1.00 0.00 C ATOM 489 O VAL A 33 7.962 -7.916 -1.938 1.00 0.00 O ATOM 490 CB VAL A 33 5.631 -6.375 -2.813 1.00 0.00 C ATOM 491 CG1 VAL A 33 6.268 -6.797 -4.128 1.00 0.00 C ATOM 492 CG2 VAL A 33 4.840 -7.522 -2.201 1.00 0.00 C ATOM 0 H VAL A 33 8.352 -5.446 -3.052 1.00 0.00 H new ATOM 0 HA VAL A 33 6.221 -5.303 -1.035 1.00 0.00 H new ATOM 0 HB VAL A 33 4.941 -5.557 -3.018 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.494 -7.148 -4.811 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.785 -5.946 -4.572 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.982 -7.600 -3.945 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.086 -7.864 -2.911 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.515 -8.344 -1.965 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.351 -7.181 -1.289 1.00 0.00 H new ATOM 502 N ASP A 34 7.417 -7.150 0.106 1.00 0.00 N ATOM 503 CA ASP A 34 8.066 -8.250 0.811 1.00 0.00 C ATOM 504 C ASP A 34 7.032 -9.229 1.358 1.00 0.00 C ATOM 505 O ASP A 34 6.040 -8.825 1.965 1.00 0.00 O ATOM 506 CB ASP A 34 8.931 -7.712 1.952 1.00 0.00 C ATOM 507 CG ASP A 34 10.353 -7.424 1.513 1.00 0.00 C ATOM 508 OD1 ASP A 34 10.942 -8.273 0.811 1.00 0.00 O ATOM 509 OD2 ASP A 34 10.878 -6.349 1.871 1.00 0.00 O ATOM 0 H ASP A 34 6.973 -6.462 0.714 1.00 0.00 H new ATOM 0 HA ASP A 34 8.702 -8.780 0.102 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.483 -6.799 2.345 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.945 -8.436 2.766 1.00 0.00 H new ATOM 514 N SER A 35 7.270 -10.518 1.138 1.00 0.00 N ATOM 515 CA SER A 35 6.357 -11.555 1.605 1.00 0.00 C ATOM 516 C SER A 35 6.796 -12.094 2.962 1.00 0.00 C ATOM 517 O SER A 35 6.005 -12.695 3.689 1.00 0.00 O ATOM 518 CB SER A 35 6.285 -12.696 0.588 1.00 0.00 C ATOM 519 OG SER A 35 7.433 -13.523 0.668 1.00 0.00 O ATOM 0 H SER A 35 8.087 -10.869 0.639 1.00 0.00 H new ATOM 0 HA SER A 35 5.367 -11.112 1.713 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.390 -13.292 0.768 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.198 -12.286 -0.418 1.00 0.00 H new ATOM 0 HG SER A 35 7.362 -14.245 0.010 1.00 0.00 H new ATOM 525 N ALA A 36 8.064 -11.875 3.297 1.00 0.00 N ATOM 526 CA ALA A 36 8.609 -12.337 4.567 1.00 0.00 C ATOM 527 C ALA A 36 7.916 -11.656 5.743 1.00 0.00 C ATOM 528 O ALA A 36 7.283 -12.313 6.568 1.00 0.00 O ATOM 529 CB ALA A 36 10.109 -12.089 4.620 1.00 0.00 C ATOM 0 H ALA A 36 8.732 -11.381 2.706 1.00 0.00 H new ATOM 0 HA ALA A 36 8.427 -13.409 4.643 1.00 0.00 H new ATOM 0 HB1 ALA A 36 10.502 -12.439 5.574 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.596 -12.628 3.807 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.305 -11.022 4.516 1.00 0.00 H new ATOM 535 N ARG A 37 8.042 -10.334 5.812 1.00 0.00 N ATOM 536 CA ARG A 37 7.429 -9.564 6.887 1.00 0.00 C ATOM 537 C ARG A 37 6.039 -9.080 6.486 1.00 0.00 C ATOM 538 O ARG A 37 5.407 -8.310 7.209 1.00 0.00 O ATOM 539 CB ARG A 37 8.311 -8.369 7.254 1.00 0.00 C ATOM 540 CG ARG A 37 9.347 -8.681 8.321 1.00 0.00 C ATOM 541 CD ARG A 37 10.131 -7.439 8.717 1.00 0.00 C ATOM 542 NE ARG A 37 9.267 -6.401 9.273 1.00 0.00 N ATOM 543 CZ ARG A 37 9.724 -5.326 9.905 1.00 0.00 C ATOM 544 NH1 ARG A 37 11.028 -5.148 10.061 1.00 0.00 N ATOM 545 NH2 ARG A 37 8.874 -4.425 10.383 1.00 0.00 N ATOM 0 H ARG A 37 8.563 -9.775 5.136 1.00 0.00 H new ATOM 0 HA ARG A 37 7.331 -10.215 7.756 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.820 -8.015 6.358 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.677 -7.554 7.603 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.853 -9.096 9.199 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.033 -9.443 7.952 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.892 -7.709 9.450 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.654 -7.047 7.845 1.00 0.00 H new ATOM 0 HE ARG A 37 8.258 -6.507 9.170 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.684 -5.838 9.695 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.375 -4.321 10.547 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.870 -4.558 10.265 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.225 -3.600 10.868 1.00 0.00 H new ATOM 559 N GLU A 38 5.571 -9.535 5.328 1.00 0.00 N ATOM 560 CA GLU A 38 4.256 -9.147 4.830 1.00 0.00 C ATOM 561 C GLU A 38 4.111 -7.628 4.807 1.00 0.00 C ATOM 562 O GLU A 38 3.164 -7.075 5.368 1.00 0.00 O ATOM 563 CB GLU A 38 3.156 -9.762 5.697 1.00 0.00 C ATOM 564 CG GLU A 38 2.812 -11.193 5.319 1.00 0.00 C ATOM 565 CD GLU A 38 2.040 -11.915 6.406 1.00 0.00 C ATOM 566 OE1 GLU A 38 2.282 -11.624 7.597 1.00 0.00 O ATOM 567 OE2 GLU A 38 1.196 -12.770 6.068 1.00 0.00 O ATOM 0 H GLU A 38 6.082 -10.172 4.717 1.00 0.00 H new ATOM 0 HA GLU A 38 4.156 -9.521 3.811 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.470 -9.736 6.740 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.258 -9.149 5.619 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.224 -11.191 4.401 1.00 0.00 H new ATOM 0 HG3 GLU A 38 3.731 -11.740 5.107 1.00 0.00 H new ATOM 574 N VAL A 39 5.055 -6.959 4.154 1.00 0.00 N ATOM 575 CA VAL A 39 5.033 -5.504 4.056 1.00 0.00 C ATOM 576 C VAL A 39 5.213 -5.047 2.613 1.00 0.00 C ATOM 577 O VAL A 39 5.409 -5.865 1.712 1.00 0.00 O ATOM 578 CB VAL A 39 6.132 -4.866 4.926 1.00 0.00 C ATOM 579 CG1 VAL A 39 6.296 -5.634 6.229 1.00 0.00 C ATOM 580 CG2 VAL A 39 7.447 -4.807 4.164 1.00 0.00 C ATOM 0 H VAL A 39 5.845 -7.401 3.685 1.00 0.00 H new ATOM 0 HA VAL A 39 4.058 -5.178 4.418 1.00 0.00 H new ATOM 0 HB VAL A 39 5.832 -3.846 5.169 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.077 -5.168 6.830 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.356 -5.619 6.781 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.573 -6.666 6.011 1.00 0.00 H new ATOM 0 HG21 VAL A 39 8.212 -4.353 4.794 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.754 -5.816 3.890 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.318 -4.209 3.262 1.00 0.00 H new ATOM 590 N CYS A 40 5.147 -3.738 2.400 1.00 0.00 N ATOM 591 CA CYS A 40 5.303 -3.172 1.065 1.00 0.00 C ATOM 592 C CYS A 40 5.903 -1.771 1.135 1.00 0.00 C ATOM 593 O CYS A 40 5.316 -0.861 1.723 1.00 0.00 O ATOM 594 CB CYS A 40 3.954 -3.126 0.347 1.00 0.00 C ATOM 595 SG CYS A 40 3.275 -4.754 -0.053 1.00 0.00 S ATOM 0 H CYS A 40 4.987 -3.049 3.134 1.00 0.00 H new ATOM 0 HA CYS A 40 5.984 -3.812 0.504 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.240 -2.590 0.972 1.00 0.00 H new ATOM 0 HB3 CYS A 40 4.064 -2.554 -0.574 1.00 0.00 H new ATOM 0 HG CYS A 40 3.004 -5.393 1.046 1.00 0.00 H new ATOM 601 N LEU A 41 7.075 -1.604 0.534 1.00 0.00 N ATOM 602 CA LEU A 41 7.756 -0.314 0.529 1.00 0.00 C ATOM 603 C LEU A 41 7.017 0.689 -0.351 1.00 0.00 C ATOM 604 O LEU A 41 7.079 0.618 -1.578 1.00 0.00 O ATOM 605 CB LEU A 41 9.196 -0.477 0.038 1.00 0.00 C ATOM 606 CG LEU A 41 10.136 0.697 0.313 1.00 0.00 C ATOM 607 CD1 LEU A 41 10.824 0.525 1.659 1.00 0.00 C ATOM 608 CD2 LEU A 41 11.165 0.829 -0.800 1.00 0.00 C ATOM 0 H LEU A 41 7.574 -2.346 0.043 1.00 0.00 H new ATOM 0 HA LEU A 41 7.768 0.067 1.550 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.617 -1.370 0.500 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.174 -0.655 -1.037 1.00 0.00 H new ATOM 0 HG LEU A 41 9.544 1.612 0.344 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.489 1.370 1.838 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.073 0.480 2.448 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.403 -0.399 1.656 1.00 0.00 H new ATOM 0 HD21 LEU A 41 11.825 1.670 -0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 41 11.752 -0.087 -0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.655 0.999 -1.748 1.00 0.00 H new ATOM 620 N VAL A 42 6.319 1.624 0.286 1.00 0.00 N ATOM 621 CA VAL A 42 5.570 2.644 -0.439 1.00 0.00 C ATOM 622 C VAL A 42 6.235 4.010 -0.309 1.00 0.00 C ATOM 623 O VAL A 42 6.688 4.390 0.771 1.00 0.00 O ATOM 624 CB VAL A 42 4.119 2.742 0.069 1.00 0.00 C ATOM 625 CG1 VAL A 42 3.341 3.773 -0.734 1.00 0.00 C ATOM 626 CG2 VAL A 42 3.441 1.381 0.005 1.00 0.00 C ATOM 0 H VAL A 42 6.257 1.696 1.302 1.00 0.00 H new ATOM 0 HA VAL A 42 5.561 2.345 -1.487 1.00 0.00 H new ATOM 0 HB VAL A 42 4.137 3.066 1.110 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.318 3.828 -0.361 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.818 4.748 -0.633 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.329 3.482 -1.784 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.417 1.467 0.367 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.433 1.027 -1.026 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.988 0.673 0.628 1.00 0.00 H new ATOM 636 N GLN A 43 6.289 4.744 -1.416 1.00 0.00 N ATOM 637 CA GLN A 43 6.899 6.068 -1.425 1.00 0.00 C ATOM 638 C GLN A 43 5.841 7.156 -1.272 1.00 0.00 C ATOM 639 O GLN A 43 4.705 6.999 -1.721 1.00 0.00 O ATOM 640 CB GLN A 43 7.684 6.282 -2.720 1.00 0.00 C ATOM 641 CG GLN A 43 8.058 7.734 -2.973 1.00 0.00 C ATOM 642 CD GLN A 43 8.510 7.981 -4.398 1.00 0.00 C ATOM 643 OE1 GLN A 43 7.932 7.448 -5.346 1.00 0.00 O ATOM 644 NE2 GLN A 43 9.549 8.793 -4.558 1.00 0.00 N ATOM 0 H GLN A 43 5.918 4.444 -2.318 1.00 0.00 H new ATOM 0 HA GLN A 43 7.583 6.131 -0.579 1.00 0.00 H new ATOM 0 HB2 GLN A 43 8.593 5.682 -2.687 1.00 0.00 H new ATOM 0 HB3 GLN A 43 7.091 5.917 -3.559 1.00 0.00 H new ATOM 0 HG2 GLN A 43 7.200 8.370 -2.753 1.00 0.00 H new ATOM 0 HG3 GLN A 43 8.854 8.025 -2.288 1.00 0.00 H new ATOM 0 HE21 GLN A 43 9.998 9.213 -3.744 1.00 0.00 H new ATOM 0 HE22 GLN A 43 9.898 8.996 -5.495 1.00 0.00 H new ATOM 653 N PHE A 44 6.221 8.259 -0.636 1.00 0.00 N ATOM 654 CA PHE A 44 5.304 9.373 -0.423 1.00 0.00 C ATOM 655 C PHE A 44 5.699 10.574 -1.277 1.00 0.00 C ATOM 656 O PHE A 44 6.853 10.706 -1.683 1.00 0.00 O ATOM 657 CB PHE A 44 5.284 9.768 1.055 1.00 0.00 C ATOM 658 CG PHE A 44 5.054 8.610 1.983 1.00 0.00 C ATOM 659 CD1 PHE A 44 4.067 7.675 1.714 1.00 0.00 C ATOM 660 CD2 PHE A 44 5.825 8.454 3.123 1.00 0.00 C ATOM 661 CE1 PHE A 44 3.853 6.609 2.567 1.00 0.00 C ATOM 662 CE2 PHE A 44 5.616 7.390 3.979 1.00 0.00 C ATOM 663 CZ PHE A 44 4.629 6.465 3.700 1.00 0.00 C ATOM 0 H PHE A 44 7.157 8.406 -0.259 1.00 0.00 H new ATOM 0 HA PHE A 44 4.306 9.052 -0.720 1.00 0.00 H new ATOM 0 HB2 PHE A 44 6.232 10.243 1.308 1.00 0.00 H new ATOM 0 HB3 PHE A 44 4.502 10.511 1.214 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.458 7.781 0.828 1.00 0.00 H new ATOM 0 HD2 PHE A 44 6.599 9.173 3.346 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.079 5.889 2.347 1.00 0.00 H new ATOM 0 HE2 PHE A 44 6.224 7.282 4.865 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.465 5.631 4.366 1.00 0.00 H new ATOM 673 N GLU A 45 4.733 11.446 -1.545 1.00 0.00 N ATOM 674 CA GLU A 45 4.979 12.635 -2.352 1.00 0.00 C ATOM 675 C GLU A 45 6.214 13.383 -1.855 1.00 0.00 C ATOM 676 O GLU A 45 6.820 14.160 -2.593 1.00 0.00 O ATOM 677 CB GLU A 45 3.762 13.561 -2.321 1.00 0.00 C ATOM 678 CG GLU A 45 2.499 12.925 -2.876 1.00 0.00 C ATOM 679 CD GLU A 45 1.238 13.491 -2.253 1.00 0.00 C ATOM 680 OE1 GLU A 45 1.239 13.736 -1.028 1.00 0.00 O ATOM 681 OE2 GLU A 45 0.250 13.690 -2.991 1.00 0.00 O ATOM 0 H GLU A 45 3.772 11.352 -1.215 1.00 0.00 H new ATOM 0 HA GLU A 45 5.157 12.316 -3.379 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.580 13.873 -1.293 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.987 14.462 -2.893 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.465 13.075 -3.955 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.533 11.849 -2.705 1.00 0.00 H new ATOM 688 N ASP A 46 6.579 13.142 -0.601 1.00 0.00 N ATOM 689 CA ASP A 46 7.741 13.791 -0.006 1.00 0.00 C ATOM 690 C ASP A 46 8.985 12.919 -0.149 1.00 0.00 C ATOM 691 O ASP A 46 9.754 12.756 0.798 1.00 0.00 O ATOM 692 CB ASP A 46 7.482 14.092 1.471 1.00 0.00 C ATOM 693 CG ASP A 46 8.632 14.838 2.120 1.00 0.00 C ATOM 694 OD1 ASP A 46 9.176 15.761 1.480 1.00 0.00 O ATOM 695 OD2 ASP A 46 8.987 14.498 3.268 1.00 0.00 O ATOM 0 H ASP A 46 6.087 12.502 0.023 1.00 0.00 H new ATOM 0 HA ASP A 46 7.914 14.728 -0.536 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.571 14.683 1.564 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.312 13.157 2.005 1.00 0.00 H new ATOM 700 N ASP A 47 9.174 12.360 -1.340 1.00 0.00 N ATOM 701 CA ASP A 47 10.324 11.504 -1.608 1.00 0.00 C ATOM 702 C ASP A 47 10.643 10.628 -0.400 1.00 0.00 C ATOM 703 O ASP A 47 11.787 10.220 -0.202 1.00 0.00 O ATOM 704 CB ASP A 47 11.543 12.352 -1.975 1.00 0.00 C ATOM 705 CG ASP A 47 11.215 13.431 -2.988 1.00 0.00 C ATOM 706 OD1 ASP A 47 10.720 13.087 -4.082 1.00 0.00 O ATOM 707 OD2 ASP A 47 11.452 14.619 -2.686 1.00 0.00 O ATOM 0 H ASP A 47 8.546 12.484 -2.134 1.00 0.00 H new ATOM 0 HA ASP A 47 10.076 10.856 -2.448 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.945 12.814 -1.073 1.00 0.00 H new ATOM 0 HB3 ASP A 47 12.324 11.706 -2.377 1.00 0.00 H new ATOM 712 N SER A 48 9.624 10.344 0.404 1.00 0.00 N ATOM 713 CA SER A 48 9.796 9.520 1.595 1.00 0.00 C ATOM 714 C SER A 48 9.449 8.064 1.303 1.00 0.00 C ATOM 715 O SER A 48 8.277 7.699 1.220 1.00 0.00 O ATOM 716 CB SER A 48 8.921 10.046 2.735 1.00 0.00 C ATOM 717 OG SER A 48 9.487 11.206 3.318 1.00 0.00 O ATOM 0 H SER A 48 8.670 10.672 0.253 1.00 0.00 H new ATOM 0 HA SER A 48 10.843 9.573 1.895 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.924 10.274 2.357 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.805 9.273 3.495 1.00 0.00 H new ATOM 0 HG SER A 48 9.646 11.878 2.622 1.00 0.00 H new ATOM 723 N GLN A 49 10.479 7.237 1.148 1.00 0.00 N ATOM 724 CA GLN A 49 10.284 5.820 0.864 1.00 0.00 C ATOM 725 C GLN A 49 10.591 4.971 2.093 1.00 0.00 C ATOM 726 O GLN A 49 11.721 4.952 2.580 1.00 0.00 O ATOM 727 CB GLN A 49 11.170 5.386 -0.305 1.00 0.00 C ATOM 728 CG GLN A 49 11.330 6.452 -1.376 1.00 0.00 C ATOM 729 CD GLN A 49 12.368 6.082 -2.417 1.00 0.00 C ATOM 730 OE1 GLN A 49 13.067 5.077 -2.284 1.00 0.00 O ATOM 731 NE2 GLN A 49 12.473 6.894 -3.463 1.00 0.00 N ATOM 0 H GLN A 49 11.456 7.524 1.214 1.00 0.00 H new ATOM 0 HA GLN A 49 9.239 5.670 0.594 1.00 0.00 H new ATOM 0 HB2 GLN A 49 12.155 5.116 0.077 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.747 4.489 -0.757 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.371 6.615 -1.867 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.612 7.394 -0.906 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.873 7.716 -3.533 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.153 6.695 -4.197 1.00 0.00 H new ATOM 740 N PHE A 50 9.577 4.271 2.591 1.00 0.00 N ATOM 741 CA PHE A 50 9.738 3.421 3.765 1.00 0.00 C ATOM 742 C PHE A 50 8.956 2.120 3.606 1.00 0.00 C ATOM 743 O PHE A 50 8.267 1.914 2.606 1.00 0.00 O ATOM 744 CB PHE A 50 9.274 4.158 5.022 1.00 0.00 C ATOM 745 CG PHE A 50 9.904 3.645 6.285 1.00 0.00 C ATOM 746 CD1 PHE A 50 11.275 3.723 6.473 1.00 0.00 C ATOM 747 CD2 PHE A 50 9.126 3.084 7.285 1.00 0.00 C ATOM 748 CE1 PHE A 50 11.857 3.250 7.634 1.00 0.00 C ATOM 749 CE2 PHE A 50 9.702 2.610 8.448 1.00 0.00 C ATOM 750 CZ PHE A 50 11.070 2.694 8.623 1.00 0.00 C ATOM 0 H PHE A 50 8.635 4.276 2.200 1.00 0.00 H new ATOM 0 HA PHE A 50 10.796 3.178 3.865 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.502 5.219 4.917 1.00 0.00 H new ATOM 0 HB3 PHE A 50 8.191 4.072 5.105 1.00 0.00 H new ATOM 0 HD1 PHE A 50 11.896 4.158 5.704 1.00 0.00 H new ATOM 0 HD2 PHE A 50 8.056 3.016 7.154 1.00 0.00 H new ATOM 0 HE1 PHE A 50 12.927 3.315 7.768 1.00 0.00 H new ATOM 0 HE2 PHE A 50 9.084 2.174 9.219 1.00 0.00 H new ATOM 0 HZ PHE A 50 11.523 2.325 9.532 1.00 0.00 H new ATOM 760 N LEU A 51 9.067 1.246 4.600 1.00 0.00 N ATOM 761 CA LEU A 51 8.371 -0.036 4.572 1.00 0.00 C ATOM 762 C LEU A 51 7.005 0.071 5.242 1.00 0.00 C ATOM 763 O LEU A 51 6.910 0.261 6.455 1.00 0.00 O ATOM 764 CB LEU A 51 9.210 -1.110 5.267 1.00 0.00 C ATOM 765 CG LEU A 51 10.426 -1.618 4.492 1.00 0.00 C ATOM 766 CD1 LEU A 51 11.371 -2.371 5.415 1.00 0.00 C ATOM 767 CD2 LEU A 51 9.988 -2.506 3.336 1.00 0.00 C ATOM 0 H LEU A 51 9.632 1.401 5.435 1.00 0.00 H new ATOM 0 HA LEU A 51 8.223 -0.318 3.530 1.00 0.00 H new ATOM 0 HB2 LEU A 51 9.553 -0.713 6.222 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.565 -1.960 5.489 1.00 0.00 H new ATOM 0 HG LEU A 51 10.958 -0.758 4.084 1.00 0.00 H new ATOM 0 HD11 LEU A 51 12.230 -2.725 4.846 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.711 -1.706 6.209 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.850 -3.223 5.853 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.866 -2.859 2.795 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.433 -3.360 3.724 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.351 -1.936 2.660 1.00 0.00 H new ATOM 779 N VAL A 52 5.949 -0.053 4.445 1.00 0.00 N ATOM 780 CA VAL A 52 4.588 0.027 4.962 1.00 0.00 C ATOM 781 C VAL A 52 3.913 -1.340 4.946 1.00 0.00 C ATOM 782 O VAL A 52 3.763 -1.959 3.891 1.00 0.00 O ATOM 783 CB VAL A 52 3.735 1.017 4.146 1.00 0.00 C ATOM 784 CG1 VAL A 52 2.423 1.306 4.860 1.00 0.00 C ATOM 785 CG2 VAL A 52 4.508 2.303 3.894 1.00 0.00 C ATOM 0 H VAL A 52 6.010 -0.209 3.439 1.00 0.00 H new ATOM 0 HA VAL A 52 4.660 0.382 5.990 1.00 0.00 H new ATOM 0 HB VAL A 52 3.504 0.563 3.182 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.834 2.007 4.269 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.865 0.378 4.985 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.629 1.740 5.838 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.891 2.991 3.316 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.770 2.763 4.847 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.418 2.078 3.338 1.00 0.00 H new ATOM 795 N LEU A 53 3.506 -1.807 6.121 1.00 0.00 N ATOM 796 CA LEU A 53 2.846 -3.102 6.244 1.00 0.00 C ATOM 797 C LEU A 53 1.782 -3.275 5.164 1.00 0.00 C ATOM 798 O LEU A 53 1.457 -2.332 4.443 1.00 0.00 O ATOM 799 CB LEU A 53 2.211 -3.244 7.628 1.00 0.00 C ATOM 800 CG LEU A 53 3.183 -3.343 8.805 1.00 0.00 C ATOM 801 CD1 LEU A 53 2.434 -3.251 10.125 1.00 0.00 C ATOM 802 CD2 LEU A 53 3.979 -4.638 8.731 1.00 0.00 C ATOM 0 H LEU A 53 3.622 -1.308 7.003 1.00 0.00 H new ATOM 0 HA LEU A 53 3.599 -3.880 6.115 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.556 -2.389 7.795 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.581 -4.133 7.627 1.00 0.00 H new ATOM 0 HG LEU A 53 3.880 -2.507 8.747 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.142 -3.323 10.951 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.909 -2.297 10.180 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.714 -4.066 10.192 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.665 -4.692 9.576 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.296 -5.487 8.763 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.546 -4.664 7.801 1.00 0.00 H new ATOM 814 N TRP A 54 1.243 -4.484 5.061 1.00 0.00 N ATOM 815 CA TRP A 54 0.214 -4.780 4.070 1.00 0.00 C ATOM 816 C TRP A 54 -1.137 -4.224 4.506 1.00 0.00 C ATOM 817 O TRP A 54 -1.893 -3.693 3.692 1.00 0.00 O ATOM 818 CB TRP A 54 0.110 -6.290 3.848 1.00 0.00 C ATOM 819 CG TRP A 54 1.191 -6.836 2.965 1.00 0.00 C ATOM 820 CD1 TRP A 54 2.302 -6.175 2.525 1.00 0.00 C ATOM 821 CD2 TRP A 54 1.262 -8.155 2.414 1.00 0.00 C ATOM 822 NE1 TRP A 54 3.059 -7.004 1.733 1.00 0.00 N ATOM 823 CE2 TRP A 54 2.443 -8.225 1.650 1.00 0.00 C ATOM 824 CE3 TRP A 54 0.444 -9.285 2.492 1.00 0.00 C ATOM 825 CZ2 TRP A 54 2.823 -9.379 0.970 1.00 0.00 C ATOM 826 CZ3 TRP A 54 0.822 -10.430 1.817 1.00 0.00 C ATOM 827 CH2 TRP A 54 2.003 -10.470 1.064 1.00 0.00 C ATOM 0 H TRP A 54 1.501 -5.275 5.651 1.00 0.00 H new ATOM 0 HA TRP A 54 0.498 -4.301 3.133 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.149 -6.795 4.813 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.860 -6.519 3.407 1.00 0.00 H new ATOM 0 HD1 TRP A 54 2.549 -5.151 2.764 1.00 0.00 H new ATOM 0 HE1 TRP A 54 3.937 -6.751 1.280 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.468 -9.264 3.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 3.733 -9.412 0.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.197 -11.309 1.871 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.271 -11.380 0.548 1.00 0.00 H new ATOM 838 N LYS A 55 -1.435 -4.347 5.795 1.00 0.00 N ATOM 839 CA LYS A 55 -2.694 -3.855 6.340 1.00 0.00 C ATOM 840 C LYS A 55 -2.772 -2.335 6.244 1.00 0.00 C ATOM 841 O LYS A 55 -3.700 -1.788 5.646 1.00 0.00 O ATOM 842 CB LYS A 55 -2.848 -4.293 7.799 1.00 0.00 C ATOM 843 CG LYS A 55 -1.683 -3.882 8.683 1.00 0.00 C ATOM 844 CD LYS A 55 -1.482 -4.857 9.830 1.00 0.00 C ATOM 845 CE LYS A 55 -0.545 -5.990 9.441 1.00 0.00 C ATOM 846 NZ LYS A 55 -0.849 -7.243 10.188 1.00 0.00 N ATOM 0 H LYS A 55 -0.821 -4.784 6.482 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.507 -4.281 5.751 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.767 -3.868 8.202 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.956 -5.377 7.835 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.773 -3.829 8.086 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.862 -2.883 9.081 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.076 -4.328 10.692 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.445 -5.268 10.133 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.626 -6.177 8.370 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.485 -5.692 9.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.189 -7.991 9.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.747 -7.072 11.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.824 -7.542 9.983 1.00 0.00 H new ATOM 860 N ASP A 56 -1.793 -1.658 6.834 1.00 0.00 N ATOM 861 CA ASP A 56 -1.750 -0.201 6.811 1.00 0.00 C ATOM 862 C ASP A 56 -2.146 0.334 5.439 1.00 0.00 C ATOM 863 O ASP A 56 -2.872 1.323 5.333 1.00 0.00 O ATOM 864 CB ASP A 56 -0.351 0.295 7.181 1.00 0.00 C ATOM 865 CG ASP A 56 0.033 -0.063 8.603 1.00 0.00 C ATOM 866 OD1 ASP A 56 -0.479 -1.079 9.119 1.00 0.00 O ATOM 867 OD2 ASP A 56 0.846 0.673 9.201 1.00 0.00 O ATOM 0 H ASP A 56 -1.019 -2.095 7.334 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.465 0.170 7.545 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.377 -0.134 6.492 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.308 1.377 7.058 1.00 0.00 H new ATOM 872 N ILE A 57 -1.664 -0.326 4.391 1.00 0.00 N ATOM 873 CA ILE A 57 -1.969 0.083 3.025 1.00 0.00 C ATOM 874 C ILE A 57 -3.443 -0.132 2.702 1.00 0.00 C ATOM 875 O ILE A 57 -4.045 -1.118 3.129 1.00 0.00 O ATOM 876 CB ILE A 57 -1.113 -0.688 2.003 1.00 0.00 C ATOM 877 CG1 ILE A 57 0.375 -0.483 2.293 1.00 0.00 C ATOM 878 CG2 ILE A 57 -1.449 -0.241 0.588 1.00 0.00 C ATOM 879 CD1 ILE A 57 1.237 -1.658 1.888 1.00 0.00 C ATOM 0 H ILE A 57 -1.061 -1.146 4.462 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.736 1.146 2.954 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.337 -1.751 2.091 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.720 0.408 1.768 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.507 -0.296 3.359 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.836 -0.794 -0.124 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.503 -0.433 0.386 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -1.249 0.826 0.486 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.279 -1.443 2.123 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.919 -2.547 2.432 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.135 -1.832 0.817 1.00 0.00 H new ATOM 891 N SER A 58 -4.019 0.796 1.945 1.00 0.00 N ATOM 892 CA SER A 58 -5.425 0.709 1.566 1.00 0.00 C ATOM 893 C SER A 58 -5.576 0.656 0.049 1.00 0.00 C ATOM 894 O SER A 58 -4.828 1.288 -0.698 1.00 0.00 O ATOM 895 CB SER A 58 -6.200 1.903 2.125 1.00 0.00 C ATOM 896 OG SER A 58 -7.528 1.926 1.630 1.00 0.00 O ATOM 0 H SER A 58 -3.534 1.617 1.582 1.00 0.00 H new ATOM 0 HA SER A 58 -5.833 -0.210 1.987 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.215 1.853 3.214 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.692 2.829 1.855 1.00 0.00 H new ATOM 0 HG SER A 58 -8.003 2.698 2.003 1.00 0.00 H new ATOM 902 N PRO A 59 -6.567 -0.117 -0.420 1.00 0.00 N ATOM 903 CA PRO A 59 -6.841 -0.272 -1.851 1.00 0.00 C ATOM 904 C PRO A 59 -7.406 1.000 -2.474 1.00 0.00 C ATOM 905 O PRO A 59 -8.601 1.275 -2.372 1.00 0.00 O ATOM 906 CB PRO A 59 -7.880 -1.395 -1.894 1.00 0.00 C ATOM 907 CG PRO A 59 -8.550 -1.342 -0.565 1.00 0.00 C ATOM 908 CD PRO A 59 -7.497 -0.898 0.412 1.00 0.00 C ATOM 0 HA PRO A 59 -5.936 -0.488 -2.418 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.594 -1.243 -2.704 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -7.409 -2.364 -2.062 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -9.389 -0.646 -0.578 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -8.950 -2.318 -0.291 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -7.922 -0.295 1.214 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -7.000 -1.747 0.881 1.00 0.00 H new ATOM 916 N ALA A 60 -6.539 1.773 -3.121 1.00 0.00 N ATOM 917 CA ALA A 60 -6.953 3.015 -3.762 1.00 0.00 C ATOM 918 C ALA A 60 -8.011 2.756 -4.829 1.00 0.00 C ATOM 919 O ALA A 60 -7.777 2.011 -5.781 1.00 0.00 O ATOM 920 CB ALA A 60 -5.750 3.721 -4.370 1.00 0.00 C ATOM 0 H ALA A 60 -5.546 1.561 -3.215 1.00 0.00 H new ATOM 0 HA ALA A 60 -7.393 3.659 -3.000 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.073 4.647 -4.845 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.027 3.949 -3.586 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.286 3.074 -5.114 1.00 0.00 H new ATOM 926 N ALA A 61 -9.176 3.374 -4.663 1.00 0.00 N ATOM 927 CA ALA A 61 -10.270 3.210 -5.612 1.00 0.00 C ATOM 928 C ALA A 61 -10.334 4.385 -6.583 1.00 0.00 C ATOM 929 O ALA A 61 -11.370 4.637 -7.200 1.00 0.00 O ATOM 930 CB ALA A 61 -11.591 3.060 -4.874 1.00 0.00 C ATOM 0 H ALA A 61 -9.386 3.993 -3.880 1.00 0.00 H new ATOM 0 HA ALA A 61 -10.085 2.304 -6.190 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -12.399 2.938 -5.595 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.548 2.185 -4.226 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -11.774 3.949 -4.271 1.00 0.00 H new ATOM 936 N LEU A 62 -9.222 5.100 -6.712 1.00 0.00 N ATOM 937 CA LEU A 62 -9.153 6.250 -7.608 1.00 0.00 C ATOM 938 C LEU A 62 -8.398 5.899 -8.886 1.00 0.00 C ATOM 939 O LEU A 62 -7.261 5.429 -8.839 1.00 0.00 O ATOM 940 CB LEU A 62 -8.472 7.427 -6.907 1.00 0.00 C ATOM 941 CG LEU A 62 -9.313 8.163 -5.863 1.00 0.00 C ATOM 942 CD1 LEU A 62 -9.565 7.272 -4.657 1.00 0.00 C ATOM 943 CD2 LEU A 62 -8.627 9.454 -5.441 1.00 0.00 C ATOM 0 H LEU A 62 -8.357 4.905 -6.209 1.00 0.00 H new ATOM 0 HA LEU A 62 -10.171 6.534 -7.875 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.566 7.061 -6.423 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.160 8.145 -7.666 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.275 8.415 -6.310 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.165 7.812 -3.925 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -10.098 6.375 -4.972 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.613 6.989 -4.208 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.239 9.965 -4.698 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.652 9.224 -5.012 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.498 10.099 -6.310 1.00 0.00 H new ATOM 955 N SER A 63 -9.037 6.133 -10.028 1.00 0.00 N ATOM 956 CA SER A 63 -8.426 5.840 -11.320 1.00 0.00 C ATOM 957 C SER A 63 -8.543 7.037 -12.259 1.00 0.00 C ATOM 958 O SER A 63 -9.593 7.271 -12.856 1.00 0.00 O ATOM 959 CB SER A 63 -9.086 4.614 -11.953 1.00 0.00 C ATOM 960 OG SER A 63 -10.495 4.756 -11.994 1.00 0.00 O ATOM 0 H SER A 63 -9.977 6.524 -10.085 1.00 0.00 H new ATOM 0 HA SER A 63 -7.369 5.630 -11.156 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.702 4.472 -12.963 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.824 3.722 -11.384 1.00 0.00 H new ATOM 0 HG SER A 63 -10.724 5.648 -12.329 1.00 0.00 H new ATOM 966 N GLY A 64 -7.456 7.791 -12.385 1.00 0.00 N ATOM 967 CA GLY A 64 -7.456 8.954 -13.253 1.00 0.00 C ATOM 968 C GLY A 64 -7.361 10.254 -12.480 1.00 0.00 C ATOM 969 O GLY A 64 -7.874 10.379 -11.368 1.00 0.00 O ATOM 0 H GLY A 64 -6.575 7.617 -11.901 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.618 8.886 -13.947 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.367 8.957 -13.852 1.00 0.00 H new ATOM 973 N PRO A 65 -6.689 11.252 -13.073 1.00 0.00 N ATOM 974 CA PRO A 65 -6.511 12.567 -12.450 1.00 0.00 C ATOM 975 C PRO A 65 -7.814 13.356 -12.379 1.00 0.00 C ATOM 976 O PRO A 65 -8.486 13.555 -13.391 1.00 0.00 O ATOM 977 CB PRO A 65 -5.513 13.266 -13.376 1.00 0.00 C ATOM 978 CG PRO A 65 -5.693 12.603 -14.698 1.00 0.00 C ATOM 979 CD PRO A 65 -6.051 11.174 -14.398 1.00 0.00 C ATOM 0 HA PRO A 65 -6.171 12.486 -11.418 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -5.714 14.335 -13.439 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -4.491 13.154 -13.013 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -6.479 13.090 -15.275 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -4.780 12.661 -15.291 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -6.729 10.764 -15.147 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -5.169 10.534 -14.382 1.00 0.00 H new ATOM 987 N SER A 66 -8.165 13.803 -11.178 1.00 0.00 N ATOM 988 CA SER A 66 -9.390 14.568 -10.974 1.00 0.00 C ATOM 989 C SER A 66 -9.086 16.058 -10.853 1.00 0.00 C ATOM 990 O SER A 66 -8.613 16.524 -9.817 1.00 0.00 O ATOM 991 CB SER A 66 -10.118 14.080 -9.720 1.00 0.00 C ATOM 992 OG SER A 66 -11.500 14.390 -9.780 1.00 0.00 O ATOM 0 H SER A 66 -7.618 13.649 -10.331 1.00 0.00 H new ATOM 0 HA SER A 66 -10.033 14.416 -11.841 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.988 13.003 -9.616 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.677 14.541 -8.837 1.00 0.00 H new ATOM 0 HG SER A 66 -11.943 14.066 -8.968 1.00 0.00 H new ATOM 998 N SER A 67 -9.363 16.800 -11.920 1.00 0.00 N ATOM 999 CA SER A 67 -9.116 18.238 -11.936 1.00 0.00 C ATOM 1000 C SER A 67 -10.400 19.012 -11.651 1.00 0.00 C ATOM 1001 O SER A 67 -11.230 19.207 -12.538 1.00 0.00 O ATOM 1002 CB SER A 67 -8.540 18.663 -13.287 1.00 0.00 C ATOM 1003 OG SER A 67 -9.439 18.365 -14.342 1.00 0.00 O ATOM 0 H SER A 67 -9.758 16.430 -12.784 1.00 0.00 H new ATOM 0 HA SER A 67 -8.393 18.467 -11.153 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.329 19.732 -13.276 1.00 0.00 H new ATOM 0 HB3 SER A 67 -7.592 18.153 -13.458 1.00 0.00 H new ATOM 0 HG SER A 67 -10.357 18.545 -14.050 1.00 0.00 H new ATOM 1009 N GLY A 68 -10.555 19.452 -10.406 1.00 0.00 N ATOM 1010 CA GLY A 68 -11.738 20.200 -10.025 1.00 0.00 C ATOM 1011 C GLY A 68 -12.895 19.298 -9.640 1.00 0.00 C ATOM 1012 O GLY A 68 -14.044 19.569 -9.988 1.00 0.00 O ATOM 0 H GLY A 68 -9.882 19.303 -9.654 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.497 20.854 -9.187 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.041 20.841 -10.853 1.00 0.00 H new TER 1016 GLY A 68