USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 618 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc=-0.00177 X(o=-0.0018,f=0) USER MOD Single : A 22 THR OG1 : rot 139:sc= 0.0155 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.711 USER MOD Single : A 28 GLN : amide:sc= -7.55! C(o=-7.6!,f=-9.5!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -129:sc= -2.95 (180deg=-4.25!) USER MOD Single : A 44 GLN : amide:sc= -0.247 K(o=-0.25,f=-2.5!) USER MOD Single : A 46 GLN : amide:sc=-0.00141 X(o=-0.0014,f=-0.21) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 CYS SG : rot -81:sc= 0.457 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot -113:sc= 0.92 USER MOD Single : A 63 GLN : amide:sc= -0.281 K(o=-0.28,f=-2.9!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN : amide:sc= 0.154 X(o=0.15,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00269) USER MOD Single : A 74 HIS : no HD1:sc= -0.0631 X(o=-0.063,f=-0.0024) USER MOD Single : A 75 SER OG : rot 68:sc= 0.616 USER MOD Single : A 78 SER OG : rot 40:sc= 0.21 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.021 -23.874 20.416 1.00 0.00 N ATOM 2 CA GLY A 1 -9.577 -24.004 20.312 1.00 0.00 C ATOM 3 C GLY A 1 -9.129 -25.427 20.652 1.00 0.00 C ATOM 4 O GLY A 1 -8.383 -25.635 21.607 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.300 -22.900 20.181 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.478 -24.534 19.755 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.320 -24.095 21.387 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.257 -23.750 19.301 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.095 -23.296 20.986 1.00 0.00 H new ATOM 8 N SER A 2 -9.604 -26.370 19.851 1.00 0.00 N ATOM 9 CA SER A 2 -9.262 -27.767 20.055 1.00 0.00 C ATOM 10 C SER A 2 -9.289 -28.513 18.719 1.00 0.00 C ATOM 11 O SER A 2 -10.218 -28.348 17.930 1.00 0.00 O ATOM 12 CB SER A 2 -10.217 -28.428 21.051 1.00 0.00 C ATOM 13 OG SER A 2 -9.677 -29.632 21.590 1.00 0.00 O ATOM 0 H SER A 2 -10.223 -26.194 19.060 1.00 0.00 H new ATOM 0 HA SER A 2 -8.256 -27.815 20.471 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.433 -27.733 21.862 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.164 -28.645 20.556 1.00 0.00 H new ATOM 0 HG SER A 2 -10.316 -30.023 22.222 1.00 0.00 H new ATOM 19 N SER A 3 -8.257 -29.317 18.506 1.00 0.00 N ATOM 20 CA SER A 3 -8.151 -30.088 17.279 1.00 0.00 C ATOM 21 C SER A 3 -7.834 -29.161 16.104 1.00 0.00 C ATOM 22 O SER A 3 -6.791 -29.296 15.466 1.00 0.00 O ATOM 23 CB SER A 3 -9.437 -30.869 17.006 1.00 0.00 C ATOM 24 OG SER A 3 -9.931 -31.511 18.179 1.00 0.00 O ATOM 0 H SER A 3 -7.488 -29.451 19.162 1.00 0.00 H new ATOM 0 HA SER A 3 -7.340 -30.806 17.396 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.197 -30.192 16.616 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.250 -31.616 16.235 1.00 0.00 H new ATOM 0 HG SER A 3 -10.754 -31.998 17.964 1.00 0.00 H new ATOM 30 N GLY A 4 -8.752 -28.239 15.854 1.00 0.00 N ATOM 31 CA GLY A 4 -8.584 -27.290 14.767 1.00 0.00 C ATOM 32 C GLY A 4 -9.114 -27.863 13.451 1.00 0.00 C ATOM 33 O GLY A 4 -10.167 -27.447 12.969 1.00 0.00 O ATOM 0 H GLY A 4 -9.615 -28.129 16.386 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.110 -26.365 15.003 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.529 -27.038 14.659 1.00 0.00 H new ATOM 37 N SER A 5 -8.362 -28.808 12.908 1.00 0.00 N ATOM 38 CA SER A 5 -8.743 -29.443 11.658 1.00 0.00 C ATOM 39 C SER A 5 -8.787 -28.403 10.536 1.00 0.00 C ATOM 40 O SER A 5 -8.817 -27.202 10.798 1.00 0.00 O ATOM 41 CB SER A 5 -10.098 -30.142 11.786 1.00 0.00 C ATOM 42 OG SER A 5 -10.157 -31.337 11.011 1.00 0.00 O ATOM 0 H SER A 5 -7.490 -29.150 13.311 1.00 0.00 H new ATOM 0 HA SER A 5 -7.996 -30.199 11.416 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.286 -30.379 12.833 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.888 -29.463 11.466 1.00 0.00 H new ATOM 0 HG SER A 5 -11.037 -31.755 11.120 1.00 0.00 H new ATOM 48 N SER A 6 -8.788 -28.903 9.309 1.00 0.00 N ATOM 49 CA SER A 6 -8.828 -28.033 8.146 1.00 0.00 C ATOM 50 C SER A 6 -8.996 -28.867 6.874 1.00 0.00 C ATOM 51 O SER A 6 -8.489 -29.984 6.788 1.00 0.00 O ATOM 52 CB SER A 6 -7.563 -27.177 8.056 1.00 0.00 C ATOM 53 OG SER A 6 -7.412 -26.582 6.770 1.00 0.00 O ATOM 0 H SER A 6 -8.762 -29.900 9.095 1.00 0.00 H new ATOM 0 HA SER A 6 -9.682 -27.363 8.249 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.599 -26.396 8.815 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.691 -27.794 8.275 1.00 0.00 H new ATOM 0 HG SER A 6 -6.594 -26.042 6.753 1.00 0.00 H new ATOM 59 N GLY A 7 -9.709 -28.291 5.917 1.00 0.00 N ATOM 60 CA GLY A 7 -9.951 -28.967 4.654 1.00 0.00 C ATOM 61 C GLY A 7 -10.897 -28.153 3.769 1.00 0.00 C ATOM 62 O GLY A 7 -10.461 -27.258 3.046 1.00 0.00 O ATOM 0 H GLY A 7 -10.127 -27.363 5.991 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.006 -29.124 4.134 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.379 -29.952 4.841 1.00 0.00 H new ATOM 66 N SER A 8 -12.175 -28.493 3.854 1.00 0.00 N ATOM 67 CA SER A 8 -13.186 -27.805 3.070 1.00 0.00 C ATOM 68 C SER A 8 -14.139 -27.046 3.996 1.00 0.00 C ATOM 69 O SER A 8 -14.233 -27.354 5.183 1.00 0.00 O ATOM 70 CB SER A 8 -13.967 -28.788 2.195 1.00 0.00 C ATOM 71 OG SER A 8 -13.346 -28.984 0.928 1.00 0.00 O ATOM 0 H SER A 8 -12.533 -29.236 4.454 1.00 0.00 H new ATOM 0 HA SER A 8 -12.685 -27.094 2.413 1.00 0.00 H new ATOM 0 HB2 SER A 8 -14.050 -29.745 2.710 1.00 0.00 H new ATOM 0 HB3 SER A 8 -14.981 -28.416 2.048 1.00 0.00 H new ATOM 0 HG SER A 8 -13.874 -29.619 0.400 1.00 0.00 H new ATOM 77 N SER A 9 -14.821 -26.069 3.417 1.00 0.00 N ATOM 78 CA SER A 9 -15.763 -25.263 4.175 1.00 0.00 C ATOM 79 C SER A 9 -16.667 -24.479 3.222 1.00 0.00 C ATOM 80 O SER A 9 -17.888 -24.618 3.263 1.00 0.00 O ATOM 81 CB SER A 9 -15.034 -24.307 5.121 1.00 0.00 C ATOM 82 OG SER A 9 -15.722 -24.154 6.360 1.00 0.00 O ATOM 0 H SER A 9 -14.740 -25.817 2.432 1.00 0.00 H new ATOM 0 HA SER A 9 -16.376 -25.932 4.779 1.00 0.00 H new ATOM 0 HB2 SER A 9 -14.027 -24.680 5.309 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.929 -23.333 4.642 1.00 0.00 H new ATOM 0 HG SER A 9 -15.224 -23.538 6.937 1.00 0.00 H new ATOM 88 N ALA A 10 -16.032 -23.671 2.385 1.00 0.00 N ATOM 89 CA ALA A 10 -16.763 -22.865 1.423 1.00 0.00 C ATOM 90 C ALA A 10 -15.826 -22.466 0.281 1.00 0.00 C ATOM 91 O ALA A 10 -14.607 -22.454 0.449 1.00 0.00 O ATOM 92 CB ALA A 10 -17.370 -21.651 2.130 1.00 0.00 C ATOM 0 H ALA A 10 -15.019 -23.558 2.354 1.00 0.00 H new ATOM 0 HA ALA A 10 -17.585 -23.436 0.991 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -17.919 -21.046 1.408 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -18.050 -21.988 2.912 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -16.574 -21.053 2.574 1.00 0.00 H new ATOM 98 N GLU A 11 -16.430 -22.148 -0.854 1.00 0.00 N ATOM 99 CA GLU A 11 -15.665 -21.750 -2.023 1.00 0.00 C ATOM 100 C GLU A 11 -15.800 -20.244 -2.258 1.00 0.00 C ATOM 101 O GLU A 11 -16.768 -19.627 -1.816 1.00 0.00 O ATOM 102 CB GLU A 11 -16.101 -22.539 -3.260 1.00 0.00 C ATOM 103 CG GLU A 11 -14.896 -22.921 -4.120 1.00 0.00 C ATOM 104 CD GLU A 11 -15.215 -22.772 -5.609 1.00 0.00 C ATOM 105 OE1 GLU A 11 -15.625 -21.655 -5.992 1.00 0.00 O ATOM 106 OE2 GLU A 11 -15.042 -23.778 -6.330 1.00 0.00 O ATOM 0 H GLU A 11 -17.441 -22.158 -0.989 1.00 0.00 H new ATOM 0 HA GLU A 11 -14.615 -21.977 -1.840 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -16.633 -23.439 -2.952 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -16.798 -21.943 -3.849 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.046 -22.290 -3.862 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.605 -23.950 -3.908 1.00 0.00 H new ATOM 113 N ALA A 12 -14.815 -19.695 -2.953 1.00 0.00 N ATOM 114 CA ALA A 12 -14.811 -18.273 -3.252 1.00 0.00 C ATOM 115 C ALA A 12 -15.467 -18.041 -4.615 1.00 0.00 C ATOM 116 O ALA A 12 -15.773 -18.993 -5.330 1.00 0.00 O ATOM 117 CB ALA A 12 -13.377 -17.743 -3.197 1.00 0.00 C ATOM 0 H ALA A 12 -14.013 -20.210 -3.318 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.390 -17.723 -2.510 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -13.374 -16.676 -3.421 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.967 -17.905 -2.200 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -12.766 -18.269 -3.930 1.00 0.00 H new ATOM 123 N GLY A 13 -15.662 -16.770 -4.933 1.00 0.00 N ATOM 124 CA GLY A 13 -16.275 -16.401 -6.198 1.00 0.00 C ATOM 125 C GLY A 13 -17.545 -15.577 -5.971 1.00 0.00 C ATOM 126 O GLY A 13 -17.949 -15.353 -4.831 1.00 0.00 O ATOM 0 H GLY A 13 -15.407 -15.983 -4.337 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -15.567 -15.827 -6.796 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -16.517 -17.300 -6.765 1.00 0.00 H new ATOM 130 N GLY A 14 -18.139 -15.149 -7.076 1.00 0.00 N ATOM 131 CA GLY A 14 -19.354 -14.355 -7.012 1.00 0.00 C ATOM 132 C GLY A 14 -19.740 -13.832 -8.397 1.00 0.00 C ATOM 133 O GLY A 14 -19.567 -14.527 -9.398 1.00 0.00 O ATOM 0 H GLY A 14 -17.801 -15.337 -8.020 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -20.167 -14.959 -6.608 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -19.210 -13.517 -6.330 1.00 0.00 H new ATOM 137 N GLY A 15 -20.257 -12.612 -8.411 1.00 0.00 N ATOM 138 CA GLY A 15 -20.669 -11.988 -9.657 1.00 0.00 C ATOM 139 C GLY A 15 -19.596 -11.026 -10.170 1.00 0.00 C ATOM 140 O GLY A 15 -18.465 -11.434 -10.430 1.00 0.00 O ATOM 0 H GLY A 15 -20.400 -12.039 -7.579 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -20.862 -12.756 -10.406 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -21.604 -11.448 -9.506 1.00 0.00 H new ATOM 144 N ILE A 16 -19.988 -9.767 -10.300 1.00 0.00 N ATOM 145 CA ILE A 16 -19.074 -8.744 -10.777 1.00 0.00 C ATOM 146 C ILE A 16 -18.231 -8.233 -9.606 1.00 0.00 C ATOM 147 O ILE A 16 -18.681 -7.386 -8.836 1.00 0.00 O ATOM 148 CB ILE A 16 -19.840 -7.641 -11.511 1.00 0.00 C ATOM 149 CG1 ILE A 16 -20.569 -8.201 -12.734 1.00 0.00 C ATOM 150 CG2 ILE A 16 -18.913 -6.480 -11.877 1.00 0.00 C ATOM 151 CD1 ILE A 16 -19.621 -9.023 -13.609 1.00 0.00 C ATOM 0 H ILE A 16 -20.927 -9.432 -10.083 1.00 0.00 H new ATOM 0 HA ILE A 16 -18.383 -9.162 -11.509 1.00 0.00 H new ATOM 0 HB ILE A 16 -20.600 -7.245 -10.837 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -21.403 -8.824 -12.411 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -20.990 -7.382 -13.317 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -19.482 -5.710 -12.398 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -18.480 -6.060 -10.969 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -18.115 -6.842 -12.525 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -20.165 -9.409 -14.471 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -18.801 -8.391 -13.950 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -19.221 -9.855 -13.030 1.00 0.00 H new ATOM 163 N ARG A 17 -17.024 -8.770 -9.510 1.00 0.00 N ATOM 164 CA ARG A 17 -16.114 -8.379 -8.446 1.00 0.00 C ATOM 165 C ARG A 17 -14.993 -7.500 -9.003 1.00 0.00 C ATOM 166 O ARG A 17 -14.707 -7.536 -10.199 1.00 0.00 O ATOM 167 CB ARG A 17 -15.502 -9.605 -7.767 1.00 0.00 C ATOM 168 CG ARG A 17 -15.872 -9.653 -6.283 1.00 0.00 C ATOM 169 CD ARG A 17 -17.043 -10.608 -6.041 1.00 0.00 C ATOM 170 NE ARG A 17 -16.767 -11.456 -4.860 1.00 0.00 N ATOM 171 CZ ARG A 17 -16.696 -10.995 -3.604 1.00 0.00 C ATOM 172 NH1 ARG A 17 -16.879 -9.691 -3.357 1.00 0.00 N ATOM 173 NH2 ARG A 17 -16.441 -11.839 -2.594 1.00 0.00 N ATOM 0 H ARG A 17 -16.655 -9.472 -10.151 1.00 0.00 H new ATOM 0 HA ARG A 17 -16.688 -7.818 -7.708 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -15.851 -10.511 -8.262 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -14.418 -9.581 -7.874 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -15.009 -9.974 -5.700 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -16.136 -8.653 -5.938 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -17.960 -10.040 -5.885 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -17.201 -11.234 -6.920 1.00 0.00 H new ATOM 0 HE ARG A 17 -16.622 -12.454 -5.012 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -17.073 -9.049 -4.125 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -16.825 -9.341 -2.401 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -16.301 -12.832 -2.782 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -16.387 -11.488 -1.638 1.00 0.00 H new ATOM 187 N LYS A 18 -14.388 -6.731 -8.110 1.00 0.00 N ATOM 188 CA LYS A 18 -13.304 -5.844 -8.497 1.00 0.00 C ATOM 189 C LYS A 18 -13.848 -4.756 -9.425 1.00 0.00 C ATOM 190 O LYS A 18 -14.108 -5.010 -10.600 1.00 0.00 O ATOM 191 CB LYS A 18 -12.147 -6.643 -9.099 1.00 0.00 C ATOM 192 CG LYS A 18 -10.906 -5.765 -9.275 1.00 0.00 C ATOM 193 CD LYS A 18 -10.922 -5.060 -10.633 1.00 0.00 C ATOM 194 CE LYS A 18 -9.519 -4.591 -11.023 1.00 0.00 C ATOM 195 NZ LYS A 18 -9.596 -3.476 -11.993 1.00 0.00 N ATOM 0 H LYS A 18 -14.628 -6.704 -7.119 1.00 0.00 H new ATOM 0 HA LYS A 18 -12.892 -5.341 -7.622 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -11.910 -7.489 -8.453 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.447 -7.053 -10.064 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.864 -5.024 -8.477 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.008 -6.377 -9.189 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.308 -5.738 -11.394 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.598 -4.206 -10.595 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.976 -4.270 -10.134 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.959 -5.420 -11.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.635 -3.170 -12.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.096 -3.794 -12.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.112 -2.680 -11.567 1.00 0.00 H new ATOM 209 N ARG A 19 -14.004 -3.567 -8.862 1.00 0.00 N ATOM 210 CA ARG A 19 -14.513 -2.439 -9.625 1.00 0.00 C ATOM 211 C ARG A 19 -14.268 -1.133 -8.867 1.00 0.00 C ATOM 212 O ARG A 19 -15.053 -0.760 -7.996 1.00 0.00 O ATOM 213 CB ARG A 19 -16.010 -2.590 -9.898 1.00 0.00 C ATOM 214 CG ARG A 19 -16.507 -1.497 -10.847 1.00 0.00 C ATOM 215 CD ARG A 19 -17.353 -2.092 -11.974 1.00 0.00 C ATOM 216 NE ARG A 19 -18.789 -2.018 -11.623 1.00 0.00 N ATOM 217 CZ ARG A 19 -19.786 -2.266 -12.483 1.00 0.00 C ATOM 218 NH1 ARG A 19 -19.510 -2.606 -13.749 1.00 0.00 N ATOM 219 NH2 ARG A 19 -21.059 -2.175 -12.076 1.00 0.00 N ATOM 0 H ARG A 19 -13.787 -3.360 -7.887 1.00 0.00 H new ATOM 0 HA ARG A 19 -13.983 -2.415 -10.577 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -16.207 -3.570 -10.332 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -16.561 -2.540 -8.959 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -17.097 -0.768 -10.291 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -15.656 -0.963 -11.270 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -17.169 -1.551 -12.902 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -17.066 -3.129 -12.147 1.00 0.00 H new ATOM 0 HE ARG A 19 -19.035 -1.762 -10.667 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -18.541 -2.676 -14.058 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -20.269 -2.795 -14.403 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -21.269 -1.917 -11.112 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -21.818 -2.364 -12.730 1.00 0.00 H new ATOM 233 N HIS A 20 -13.177 -0.473 -9.226 1.00 0.00 N ATOM 234 CA HIS A 20 -12.819 0.784 -8.591 1.00 0.00 C ATOM 235 C HIS A 20 -11.698 1.459 -9.383 1.00 0.00 C ATOM 236 O HIS A 20 -11.037 0.818 -10.200 1.00 0.00 O ATOM 237 CB HIS A 20 -12.458 0.566 -7.120 1.00 0.00 C ATOM 238 CG HIS A 20 -13.224 1.447 -6.162 1.00 0.00 C ATOM 239 ND1 HIS A 20 -12.637 2.493 -5.473 1.00 0.00 N ATOM 240 CD2 HIS A 20 -14.536 1.426 -5.788 1.00 0.00 C ATOM 241 CE1 HIS A 20 -13.563 3.069 -4.719 1.00 0.00 C ATOM 242 NE2 HIS A 20 -14.739 2.406 -4.916 1.00 0.00 N ATOM 0 H HIS A 20 -12.529 -0.785 -9.949 1.00 0.00 H new ATOM 0 HA HIS A 20 -13.677 1.456 -8.599 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -12.640 -0.477 -6.863 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -11.391 0.745 -6.988 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -15.283 0.730 -6.141 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -13.413 3.914 -4.064 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -15.628 2.627 -4.467 1.00 0.00 H new ATOM 250 N ARG A 21 -11.517 2.744 -9.114 1.00 0.00 N ATOM 251 CA ARG A 21 -10.487 3.512 -9.792 1.00 0.00 C ATOM 252 C ARG A 21 -9.244 3.630 -8.907 1.00 0.00 C ATOM 253 O ARG A 21 -9.338 4.037 -7.750 1.00 0.00 O ATOM 254 CB ARG A 21 -10.988 4.914 -10.145 1.00 0.00 C ATOM 255 CG ARG A 21 -11.575 5.612 -8.917 1.00 0.00 C ATOM 256 CD ARG A 21 -13.104 5.639 -8.981 1.00 0.00 C ATOM 257 NE ARG A 21 -13.557 6.803 -9.775 1.00 0.00 N ATOM 258 CZ ARG A 21 -14.816 7.260 -9.787 1.00 0.00 C ATOM 259 NH1 ARG A 21 -15.756 6.654 -9.048 1.00 0.00 N ATOM 260 NH2 ARG A 21 -15.136 8.322 -10.538 1.00 0.00 N ATOM 0 H ARG A 21 -12.066 3.272 -8.436 1.00 0.00 H new ATOM 0 HA ARG A 21 -10.233 2.987 -10.713 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -10.166 5.507 -10.547 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -11.745 4.847 -10.926 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -11.254 5.095 -8.012 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -11.192 6.631 -8.855 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -13.474 4.717 -9.429 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -13.517 5.692 -7.974 1.00 0.00 H new ATOM 0 HE ARG A 21 -12.867 7.288 -10.349 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -15.512 5.845 -8.477 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -16.715 7.002 -9.057 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -14.421 8.783 -11.101 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -16.095 8.670 -10.547 1.00 0.00 H new ATOM 274 N THR A 22 -8.108 3.268 -9.485 1.00 0.00 N ATOM 275 CA THR A 22 -6.849 3.328 -8.764 1.00 0.00 C ATOM 276 C THR A 22 -5.929 4.382 -9.383 1.00 0.00 C ATOM 277 O THR A 22 -6.086 4.741 -10.549 1.00 0.00 O ATOM 278 CB THR A 22 -6.242 1.923 -8.753 1.00 0.00 C ATOM 279 OG1 THR A 22 -6.391 1.471 -10.096 1.00 0.00 O ATOM 280 CG2 THR A 22 -7.071 0.934 -7.932 1.00 0.00 C ATOM 0 H THR A 22 -8.034 2.932 -10.445 1.00 0.00 H new ATOM 0 HA THR A 22 -7.000 3.640 -7.731 1.00 0.00 H new ATOM 0 HB THR A 22 -5.229 1.968 -8.352 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.578 1.000 -10.375 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.597 -0.047 -7.957 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.134 1.280 -6.900 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.074 0.863 -8.353 1.00 0.00 H new ATOM 288 N LYS A 23 -4.989 4.850 -8.575 1.00 0.00 N ATOM 289 CA LYS A 23 -4.044 5.856 -9.029 1.00 0.00 C ATOM 290 C LYS A 23 -2.717 5.674 -8.289 1.00 0.00 C ATOM 291 O LYS A 23 -2.353 6.497 -7.450 1.00 0.00 O ATOM 292 CB LYS A 23 -4.642 7.256 -8.885 1.00 0.00 C ATOM 293 CG LYS A 23 -4.845 7.910 -10.254 1.00 0.00 C ATOM 294 CD LYS A 23 -3.534 8.498 -10.780 1.00 0.00 C ATOM 295 CE LYS A 23 -3.703 9.026 -12.206 1.00 0.00 C ATOM 296 NZ LYS A 23 -2.535 8.659 -13.037 1.00 0.00 N ATOM 0 H LYS A 23 -4.862 4.551 -7.608 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.836 5.732 -10.092 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.596 7.195 -8.362 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.984 7.876 -8.276 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.226 7.173 -10.960 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.596 8.696 -10.178 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.205 9.306 -10.126 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.756 7.735 -10.761 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.613 8.617 -12.646 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.817 10.110 -12.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.666 9.025 -14.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.673 9.070 -12.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.444 7.624 -13.069 1.00 0.00 H new ATOM 310 N PHE A 24 -2.031 4.592 -8.625 1.00 0.00 N ATOM 311 CA PHE A 24 -0.753 4.292 -8.003 1.00 0.00 C ATOM 312 C PHE A 24 0.350 5.200 -8.551 1.00 0.00 C ATOM 313 O PHE A 24 0.671 5.146 -9.737 1.00 0.00 O ATOM 314 CB PHE A 24 -0.419 2.839 -8.345 1.00 0.00 C ATOM 315 CG PHE A 24 -1.607 1.882 -8.227 1.00 0.00 C ATOM 316 CD1 PHE A 24 -2.176 1.653 -7.013 1.00 0.00 C ATOM 317 CD2 PHE A 24 -2.093 1.261 -9.335 1.00 0.00 C ATOM 318 CE1 PHE A 24 -3.279 0.765 -6.903 1.00 0.00 C ATOM 319 CE2 PHE A 24 -3.195 0.373 -9.224 1.00 0.00 C ATOM 320 CZ PHE A 24 -3.765 0.143 -8.011 1.00 0.00 C ATOM 0 H PHE A 24 -2.336 3.912 -9.321 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.816 4.452 -6.927 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.031 2.796 -9.363 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.378 2.495 -7.685 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.789 2.146 -6.133 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.641 1.443 -10.299 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.732 0.584 -5.940 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.581 -0.120 -10.104 1.00 0.00 H new ATOM 0 HZ PHE A 24 -4.603 -0.533 -7.927 1.00 0.00 H new ATOM 330 N THR A 25 0.899 6.014 -7.661 1.00 0.00 N ATOM 331 CA THR A 25 1.959 6.932 -8.040 1.00 0.00 C ATOM 332 C THR A 25 3.321 6.240 -7.952 1.00 0.00 C ATOM 333 O THR A 25 3.429 5.141 -7.410 1.00 0.00 O ATOM 334 CB THR A 25 1.850 8.173 -7.152 1.00 0.00 C ATOM 335 OG1 THR A 25 3.152 8.749 -7.198 1.00 0.00 O ATOM 336 CG2 THR A 25 1.650 7.822 -5.676 1.00 0.00 C ATOM 0 H THR A 25 0.629 6.057 -6.678 1.00 0.00 H new ATOM 0 HA THR A 25 1.856 7.247 -9.078 1.00 0.00 H new ATOM 0 HB THR A 25 1.020 8.791 -7.494 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.170 9.561 -6.650 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.579 8.739 -5.090 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.732 7.245 -5.560 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.496 7.232 -5.325 1.00 0.00 H new ATOM 344 N ALA A 26 4.326 6.912 -8.494 1.00 0.00 N ATOM 345 CA ALA A 26 5.676 6.375 -8.484 1.00 0.00 C ATOM 346 C ALA A 26 5.929 5.667 -7.152 1.00 0.00 C ATOM 347 O ALA A 26 6.547 4.604 -7.117 1.00 0.00 O ATOM 348 CB ALA A 26 6.676 7.504 -8.743 1.00 0.00 C ATOM 0 H ALA A 26 4.232 7.823 -8.943 1.00 0.00 H new ATOM 0 HA ALA A 26 5.802 5.639 -9.278 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.689 7.102 -8.736 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.472 7.955 -9.714 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.580 8.261 -7.964 1.00 0.00 H new ATOM 354 N GLU A 27 5.438 6.284 -6.087 1.00 0.00 N ATOM 355 CA GLU A 27 5.602 5.726 -4.756 1.00 0.00 C ATOM 356 C GLU A 27 4.895 4.373 -4.656 1.00 0.00 C ATOM 357 O GLU A 27 5.545 3.333 -4.566 1.00 0.00 O ATOM 358 CB GLU A 27 5.088 6.693 -3.688 1.00 0.00 C ATOM 359 CG GLU A 27 6.044 6.751 -2.495 1.00 0.00 C ATOM 360 CD GLU A 27 5.485 7.647 -1.387 1.00 0.00 C ATOM 361 OE1 GLU A 27 4.419 7.282 -0.847 1.00 0.00 O ATOM 362 OE2 GLU A 27 6.137 8.676 -1.106 1.00 0.00 O ATOM 0 H GLU A 27 4.926 7.166 -6.119 1.00 0.00 H new ATOM 0 HA GLU A 27 6.666 5.572 -4.578 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.976 7.689 -4.117 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.100 6.378 -3.352 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.208 5.746 -2.107 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.013 7.129 -2.819 1.00 0.00 H new ATOM 369 N GLN A 28 3.571 4.430 -4.677 1.00 0.00 N ATOM 370 CA GLN A 28 2.768 3.223 -4.590 1.00 0.00 C ATOM 371 C GLN A 28 3.275 2.176 -5.584 1.00 0.00 C ATOM 372 O GLN A 28 3.441 1.009 -5.231 1.00 0.00 O ATOM 373 CB GLN A 28 1.288 3.530 -4.825 1.00 0.00 C ATOM 374 CG GLN A 28 0.771 4.548 -3.806 1.00 0.00 C ATOM 375 CD GLN A 28 0.744 3.949 -2.398 1.00 0.00 C ATOM 376 OE1 GLN A 28 -0.285 3.530 -1.894 1.00 0.00 O ATOM 377 NE2 GLN A 28 1.929 3.932 -1.794 1.00 0.00 N ATOM 0 H GLN A 28 3.035 5.294 -4.753 1.00 0.00 H new ATOM 0 HA GLN A 28 2.865 2.818 -3.583 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.149 3.918 -5.834 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.706 2.611 -4.754 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.407 5.433 -3.816 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.231 4.872 -4.087 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.751 4.299 -2.273 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.016 3.552 -0.851 1.00 0.00 H new ATOM 386 N LYS A 29 3.506 2.630 -6.807 1.00 0.00 N ATOM 387 CA LYS A 29 3.991 1.748 -7.854 1.00 0.00 C ATOM 388 C LYS A 29 5.289 1.081 -7.394 1.00 0.00 C ATOM 389 O LYS A 29 5.350 -0.140 -7.259 1.00 0.00 O ATOM 390 CB LYS A 29 4.125 2.507 -9.176 1.00 0.00 C ATOM 391 CG LYS A 29 3.236 1.887 -10.256 1.00 0.00 C ATOM 392 CD LYS A 29 3.713 2.287 -11.654 1.00 0.00 C ATOM 393 CE LYS A 29 3.431 3.766 -11.928 1.00 0.00 C ATOM 394 NZ LYS A 29 3.215 3.993 -13.374 1.00 0.00 N ATOM 0 H LYS A 29 3.366 3.598 -7.096 1.00 0.00 H new ATOM 0 HA LYS A 29 3.272 0.951 -8.042 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.850 3.552 -9.029 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.165 2.494 -9.504 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.246 0.801 -10.161 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.205 2.210 -10.113 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.782 2.094 -11.746 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.212 1.673 -12.402 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.551 4.084 -11.369 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.267 4.372 -11.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.025 5.002 -13.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.065 3.708 -13.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.403 3.429 -13.696 1.00 0.00 H new ATOM 408 N GLU A 30 6.295 1.913 -7.165 1.00 0.00 N ATOM 409 CA GLU A 30 7.588 1.420 -6.723 1.00 0.00 C ATOM 410 C GLU A 30 7.432 0.593 -5.445 1.00 0.00 C ATOM 411 O GLU A 30 8.082 -0.439 -5.286 1.00 0.00 O ATOM 412 CB GLU A 30 8.572 2.573 -6.513 1.00 0.00 C ATOM 413 CG GLU A 30 8.975 3.199 -7.849 1.00 0.00 C ATOM 414 CD GLU A 30 10.497 3.293 -7.973 1.00 0.00 C ATOM 415 OE1 GLU A 30 11.109 3.860 -7.042 1.00 0.00 O ATOM 416 OE2 GLU A 30 11.015 2.796 -8.997 1.00 0.00 O ATOM 0 H GLU A 30 6.240 2.925 -7.277 1.00 0.00 H new ATOM 0 HA GLU A 30 7.995 0.776 -7.502 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.119 3.331 -5.874 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.459 2.209 -5.995 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.576 2.603 -8.669 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.537 4.194 -7.936 1.00 0.00 H new ATOM 423 N ARG A 31 6.565 1.077 -4.567 1.00 0.00 N ATOM 424 CA ARG A 31 6.315 0.395 -3.309 1.00 0.00 C ATOM 425 C ARG A 31 5.885 -1.051 -3.564 1.00 0.00 C ATOM 426 O ARG A 31 6.439 -1.980 -2.979 1.00 0.00 O ATOM 427 CB ARG A 31 5.229 1.108 -2.502 1.00 0.00 C ATOM 428 CG ARG A 31 5.734 2.451 -1.969 1.00 0.00 C ATOM 429 CD ARG A 31 6.291 2.303 -0.551 1.00 0.00 C ATOM 430 NE ARG A 31 7.749 2.056 -0.604 1.00 0.00 N ATOM 431 CZ ARG A 31 8.662 3.000 -0.871 1.00 0.00 C ATOM 432 NH1 ARG A 31 8.272 4.259 -1.112 1.00 0.00 N ATOM 433 NH2 ARG A 31 9.964 2.684 -0.898 1.00 0.00 N ATOM 0 H ARG A 31 6.027 1.933 -4.702 1.00 0.00 H new ATOM 0 HA ARG A 31 7.243 0.406 -2.737 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.352 1.268 -3.129 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.916 0.477 -1.670 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.509 2.840 -2.629 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.920 3.176 -1.970 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.087 3.206 0.025 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.793 1.480 -0.040 1.00 0.00 H new ATOM 0 HE ARG A 31 8.080 1.108 -0.426 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.281 4.498 -1.092 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.966 4.978 -1.315 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.260 1.725 -0.715 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.659 3.402 -1.101 1.00 0.00 H new ATOM 447 N MET A 32 4.901 -1.195 -4.440 1.00 0.00 N ATOM 448 CA MET A 32 4.390 -2.512 -4.780 1.00 0.00 C ATOM 449 C MET A 32 5.437 -3.327 -5.543 1.00 0.00 C ATOM 450 O MET A 32 5.608 -4.518 -5.288 1.00 0.00 O ATOM 451 CB MET A 32 3.132 -2.366 -5.639 1.00 0.00 C ATOM 452 CG MET A 32 1.984 -1.759 -4.830 1.00 0.00 C ATOM 453 SD MET A 32 0.432 -2.045 -5.664 1.00 0.00 S ATOM 454 CE MET A 32 -0.074 -0.359 -5.964 1.00 0.00 C ATOM 0 H MET A 32 4.445 -0.422 -4.924 1.00 0.00 H new ATOM 0 HA MET A 32 4.151 -3.037 -3.855 1.00 0.00 H new ATOM 0 HB2 MET A 32 3.347 -1.735 -6.501 1.00 0.00 H new ATOM 0 HB3 MET A 32 2.835 -3.342 -6.024 1.00 0.00 H new ATOM 0 HG2 MET A 32 1.957 -2.200 -3.833 1.00 0.00 H new ATOM 0 HG3 MET A 32 2.145 -0.689 -4.701 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.095 -0.217 -5.610 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.592 0.321 -5.432 1.00 0.00 H new ATOM 0 HE3 MET A 32 -0.028 -0.150 -7.033 1.00 0.00 H new ATOM 464 N LEU A 33 6.110 -2.651 -6.463 1.00 0.00 N ATOM 465 CA LEU A 33 7.136 -3.297 -7.264 1.00 0.00 C ATOM 466 C LEU A 33 8.209 -3.876 -6.341 1.00 0.00 C ATOM 467 O LEU A 33 8.618 -5.025 -6.502 1.00 0.00 O ATOM 468 CB LEU A 33 7.684 -2.329 -8.314 1.00 0.00 C ATOM 469 CG LEU A 33 7.164 -2.520 -9.740 1.00 0.00 C ATOM 470 CD1 LEU A 33 6.532 -1.231 -10.270 1.00 0.00 C ATOM 471 CD2 LEU A 33 8.269 -3.038 -10.662 1.00 0.00 C ATOM 0 H LEU A 33 5.965 -1.663 -6.671 1.00 0.00 H new ATOM 0 HA LEU A 33 6.713 -4.132 -7.823 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.452 -1.312 -7.997 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.770 -2.418 -8.330 1.00 0.00 H new ATOM 0 HG LEU A 33 6.381 -3.278 -9.719 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.170 -1.394 -11.285 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.698 -0.945 -9.629 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.277 -0.435 -10.273 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.873 -3.165 -11.669 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.091 -2.322 -10.683 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.632 -3.997 -10.292 1.00 0.00 H new ATOM 483 N ALA A 34 8.635 -3.054 -5.393 1.00 0.00 N ATOM 484 CA ALA A 34 9.653 -3.470 -4.443 1.00 0.00 C ATOM 485 C ALA A 34 9.108 -4.614 -3.586 1.00 0.00 C ATOM 486 O ALA A 34 9.856 -5.503 -3.183 1.00 0.00 O ATOM 487 CB ALA A 34 10.089 -2.268 -3.603 1.00 0.00 C ATOM 0 H ALA A 34 8.294 -2.102 -5.262 1.00 0.00 H new ATOM 0 HA ALA A 34 10.536 -3.841 -4.964 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.853 -2.580 -2.890 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.496 -1.496 -4.256 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.230 -1.870 -3.063 1.00 0.00 H new ATOM 493 N LEU A 35 7.809 -4.554 -3.332 1.00 0.00 N ATOM 494 CA LEU A 35 7.155 -5.574 -2.530 1.00 0.00 C ATOM 495 C LEU A 35 7.045 -6.864 -3.345 1.00 0.00 C ATOM 496 O LEU A 35 7.452 -7.930 -2.885 1.00 0.00 O ATOM 497 CB LEU A 35 5.813 -5.062 -2.003 1.00 0.00 C ATOM 498 CG LEU A 35 4.883 -6.117 -1.400 1.00 0.00 C ATOM 499 CD1 LEU A 35 5.429 -6.630 -0.066 1.00 0.00 C ATOM 500 CD2 LEU A 35 3.457 -5.579 -1.267 1.00 0.00 C ATOM 0 H LEU A 35 7.192 -3.815 -3.668 1.00 0.00 H new ATOM 0 HA LEU A 35 7.750 -5.805 -1.647 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.008 -4.303 -1.246 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.288 -4.569 -2.821 1.00 0.00 H new ATOM 0 HG LEU A 35 4.844 -6.968 -2.081 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.750 -7.379 0.342 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.410 -7.078 -0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.517 -5.800 0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.817 -6.348 -0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.458 -4.703 -0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.079 -5.302 -2.251 1.00 0.00 H new ATOM 512 N ALA A 36 6.491 -6.725 -4.541 1.00 0.00 N ATOM 513 CA ALA A 36 6.322 -7.867 -5.424 1.00 0.00 C ATOM 514 C ALA A 36 7.667 -8.575 -5.598 1.00 0.00 C ATOM 515 O ALA A 36 7.736 -9.802 -5.551 1.00 0.00 O ATOM 516 CB ALA A 36 5.732 -7.399 -6.756 1.00 0.00 C ATOM 0 H ALA A 36 6.154 -5.840 -4.919 1.00 0.00 H new ATOM 0 HA ALA A 36 5.625 -8.586 -4.993 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.605 -8.255 -7.419 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.764 -6.930 -6.580 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.406 -6.678 -7.219 1.00 0.00 H new ATOM 522 N GLU A 37 8.701 -7.772 -5.796 1.00 0.00 N ATOM 523 CA GLU A 37 10.040 -8.306 -5.977 1.00 0.00 C ATOM 524 C GLU A 37 10.591 -8.821 -4.646 1.00 0.00 C ATOM 525 O GLU A 37 11.651 -9.444 -4.608 1.00 0.00 O ATOM 526 CB GLU A 37 10.972 -7.257 -6.587 1.00 0.00 C ATOM 527 CG GLU A 37 10.714 -7.101 -8.087 1.00 0.00 C ATOM 528 CD GLU A 37 12.015 -6.809 -8.839 1.00 0.00 C ATOM 529 OE1 GLU A 37 12.700 -5.845 -8.434 1.00 0.00 O ATOM 530 OE2 GLU A 37 12.294 -7.556 -9.802 1.00 0.00 O ATOM 0 H GLU A 37 8.639 -6.755 -5.835 1.00 0.00 H new ATOM 0 HA GLU A 37 9.984 -9.143 -6.673 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.824 -6.300 -6.087 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.010 -7.547 -6.421 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.260 -8.011 -8.478 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.003 -6.292 -8.255 1.00 0.00 H new ATOM 537 N ARG A 38 9.847 -8.542 -3.586 1.00 0.00 N ATOM 538 CA ARG A 38 10.247 -8.969 -2.256 1.00 0.00 C ATOM 539 C ARG A 38 9.514 -10.254 -1.868 1.00 0.00 C ATOM 540 O ARG A 38 10.138 -11.222 -1.434 1.00 0.00 O ATOM 541 CB ARG A 38 9.949 -7.886 -1.217 1.00 0.00 C ATOM 542 CG ARG A 38 9.792 -8.494 0.178 1.00 0.00 C ATOM 543 CD ARG A 38 9.869 -7.414 1.259 1.00 0.00 C ATOM 544 NE ARG A 38 10.651 -7.908 2.414 1.00 0.00 N ATOM 545 CZ ARG A 38 10.185 -8.779 3.319 1.00 0.00 C ATOM 546 NH1 ARG A 38 8.939 -9.258 3.209 1.00 0.00 N ATOM 547 NH2 ARG A 38 10.966 -9.172 4.335 1.00 0.00 N ATOM 0 H ARG A 38 8.968 -8.025 -3.621 1.00 0.00 H new ATOM 0 HA ARG A 38 11.321 -9.152 -2.276 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.755 -7.152 -1.209 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.037 -7.355 -1.491 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.837 -9.014 0.246 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.572 -9.237 0.345 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.333 -6.515 0.854 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.865 -7.138 1.581 1.00 0.00 H new ATOM 0 HE ARG A 38 11.604 -7.564 2.528 1.00 0.00 H new ATOM 0 HH11 ARG A 38 8.344 -8.960 2.436 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.585 -9.921 3.898 1.00 0.00 H new ATOM 0 HH21 ARG A 38 11.915 -8.808 4.419 1.00 0.00 H new ATOM 0 HH22 ARG A 38 10.611 -9.835 5.024 1.00 0.00 H new ATOM 561 N ILE A 39 8.201 -10.223 -2.039 1.00 0.00 N ATOM 562 CA ILE A 39 7.376 -11.374 -1.712 1.00 0.00 C ATOM 563 C ILE A 39 7.391 -12.356 -2.885 1.00 0.00 C ATOM 564 O ILE A 39 7.314 -13.568 -2.686 1.00 0.00 O ATOM 565 CB ILE A 39 5.972 -10.928 -1.302 1.00 0.00 C ATOM 566 CG1 ILE A 39 5.257 -10.229 -2.461 1.00 0.00 C ATOM 567 CG2 ILE A 39 6.019 -10.053 -0.047 1.00 0.00 C ATOM 568 CD1 ILE A 39 3.808 -9.904 -2.095 1.00 0.00 C ATOM 0 H ILE A 39 7.687 -9.419 -2.400 1.00 0.00 H new ATOM 0 HA ILE A 39 7.782 -11.901 -0.849 1.00 0.00 H new ATOM 0 HB ILE A 39 5.391 -11.816 -1.054 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.785 -9.311 -2.718 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.278 -10.867 -3.344 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.008 -9.749 0.223 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.460 -10.618 0.774 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.623 -9.167 -0.243 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.323 -9.408 -2.936 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.276 -10.826 -1.862 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.791 -9.246 -1.226 1.00 0.00 H new ATOM 580 N GLY A 40 7.490 -11.797 -4.083 1.00 0.00 N ATOM 581 CA GLY A 40 7.516 -12.609 -5.288 1.00 0.00 C ATOM 582 C GLY A 40 6.206 -12.474 -6.067 1.00 0.00 C ATOM 583 O GLY A 40 5.791 -13.404 -6.756 1.00 0.00 O ATOM 0 H GLY A 40 7.553 -10.792 -4.245 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.351 -12.304 -5.918 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.680 -13.654 -5.024 1.00 0.00 H new ATOM 587 N TRP A 41 5.592 -11.307 -5.933 1.00 0.00 N ATOM 588 CA TRP A 41 4.338 -11.039 -6.616 1.00 0.00 C ATOM 589 C TRP A 41 3.325 -12.099 -6.180 1.00 0.00 C ATOM 590 O TRP A 41 2.546 -12.590 -6.995 1.00 0.00 O ATOM 591 CB TRP A 41 4.539 -10.992 -8.132 1.00 0.00 C ATOM 592 CG TRP A 41 5.746 -10.161 -8.575 1.00 0.00 C ATOM 593 CD1 TRP A 41 7.043 -10.400 -8.339 1.00 0.00 C ATOM 594 CD2 TRP A 41 5.714 -8.941 -9.344 1.00 0.00 C ATOM 595 NE1 TRP A 41 7.846 -9.427 -8.898 1.00 0.00 N ATOM 596 CE2 TRP A 41 7.012 -8.511 -9.528 1.00 0.00 C ATOM 597 CE3 TRP A 41 4.624 -8.223 -9.867 1.00 0.00 C ATOM 598 CZ2 TRP A 41 7.342 -7.350 -10.237 1.00 0.00 C ATOM 599 CZ3 TRP A 41 4.970 -7.065 -10.573 1.00 0.00 C ATOM 600 CH2 TRP A 41 6.272 -6.619 -10.767 1.00 0.00 C ATOM 0 H TRP A 41 5.940 -10.537 -5.362 1.00 0.00 H new ATOM 0 HA TRP A 41 3.953 -10.057 -6.343 1.00 0.00 H new ATOM 0 HB2 TRP A 41 4.655 -12.010 -8.504 1.00 0.00 H new ATOM 0 HB3 TRP A 41 3.640 -10.584 -8.595 1.00 0.00 H new ATOM 0 HD1 TRP A 41 7.413 -11.248 -7.781 1.00 0.00 H new ATOM 0 HE1 TRP A 41 8.864 -9.387 -8.856 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.600 -8.540 -9.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 8.367 -7.035 -10.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 4.169 -6.477 -10.997 1.00 0.00 H new ATOM 0 HH2 TRP A 41 6.457 -5.713 -11.324 1.00 0.00 H new ATOM 611 N ARG A 42 3.369 -12.421 -4.896 1.00 0.00 N ATOM 612 CA ARG A 42 2.465 -13.414 -4.342 1.00 0.00 C ATOM 613 C ARG A 42 2.047 -13.019 -2.924 1.00 0.00 C ATOM 614 O ARG A 42 2.797 -12.349 -2.216 1.00 0.00 O ATOM 615 CB ARG A 42 3.120 -14.796 -4.306 1.00 0.00 C ATOM 616 CG ARG A 42 2.088 -15.899 -4.552 1.00 0.00 C ATOM 617 CD ARG A 42 2.334 -17.096 -3.631 1.00 0.00 C ATOM 618 NE ARG A 42 1.813 -18.331 -4.257 1.00 0.00 N ATOM 619 CZ ARG A 42 2.347 -18.906 -5.343 1.00 0.00 C ATOM 620 NH1 ARG A 42 3.421 -18.361 -5.930 1.00 0.00 N ATOM 621 NH2 ARG A 42 1.807 -20.027 -5.842 1.00 0.00 N ATOM 0 H ARG A 42 4.017 -12.012 -4.223 1.00 0.00 H new ATOM 0 HA ARG A 42 1.586 -13.457 -4.985 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.903 -14.851 -5.062 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.599 -14.950 -3.339 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.085 -15.507 -4.385 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.135 -16.220 -5.592 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.401 -17.201 -3.434 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.847 -16.932 -2.670 1.00 0.00 H new ATOM 0 HE ARG A 42 0.996 -18.773 -3.835 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.832 -17.508 -5.550 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.828 -18.799 -6.757 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.990 -20.442 -5.395 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.214 -20.465 -6.669 1.00 0.00 H new ATOM 635 N ILE A 43 0.850 -13.450 -2.552 1.00 0.00 N ATOM 636 CA ILE A 43 0.324 -13.150 -1.232 1.00 0.00 C ATOM 637 C ILE A 43 0.136 -14.454 -0.454 1.00 0.00 C ATOM 638 O ILE A 43 -0.250 -15.472 -1.026 1.00 0.00 O ATOM 639 CB ILE A 43 -0.951 -12.310 -1.342 1.00 0.00 C ATOM 640 CG1 ILE A 43 -0.667 -10.970 -2.024 1.00 0.00 C ATOM 641 CG2 ILE A 43 -1.607 -12.128 0.028 1.00 0.00 C ATOM 642 CD1 ILE A 43 -1.789 -10.603 -2.999 1.00 0.00 C ATOM 0 H ILE A 43 0.230 -14.005 -3.142 1.00 0.00 H new ATOM 0 HA ILE A 43 1.032 -12.542 -0.669 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.661 -12.847 -1.970 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.565 -10.189 -1.271 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.281 -11.024 -2.559 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.511 -11.528 -0.078 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.866 -13.103 0.440 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.913 -11.623 0.700 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.563 -9.647 -3.470 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.872 -11.374 -3.765 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.732 -10.527 -2.457 1.00 0.00 H new ATOM 654 N GLN A 44 0.417 -14.380 0.839 1.00 0.00 N ATOM 655 CA GLN A 44 0.284 -15.542 1.701 1.00 0.00 C ATOM 656 C GLN A 44 0.080 -15.105 3.153 1.00 0.00 C ATOM 657 O GLN A 44 0.247 -13.931 3.481 1.00 0.00 O ATOM 658 CB GLN A 44 1.498 -16.463 1.571 1.00 0.00 C ATOM 659 CG GLN A 44 1.349 -17.401 0.372 1.00 0.00 C ATOM 660 CD GLN A 44 1.674 -18.845 0.760 1.00 0.00 C ATOM 661 OE1 GLN A 44 1.528 -19.256 1.899 1.00 0.00 O ATOM 662 NE2 GLN A 44 2.122 -19.588 -0.247 1.00 0.00 N ATOM 0 H GLN A 44 0.736 -13.534 1.310 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.594 -16.106 1.385 1.00 0.00 H new ATOM 0 HB2 GLN A 44 2.402 -15.865 1.459 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.614 -17.049 2.483 1.00 0.00 H new ATOM 0 HG2 GLN A 44 0.331 -17.345 -0.014 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.012 -17.079 -0.431 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.220 -19.181 -1.177 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.367 -20.566 -0.090 1.00 0.00 H new ATOM 671 N ARG A 45 -0.277 -16.072 3.985 1.00 0.00 N ATOM 672 CA ARG A 45 -0.504 -15.802 5.394 1.00 0.00 C ATOM 673 C ARG A 45 0.799 -15.369 6.069 1.00 0.00 C ATOM 674 O ARG A 45 0.777 -14.772 7.144 1.00 0.00 O ATOM 675 CB ARG A 45 -1.055 -17.037 6.110 1.00 0.00 C ATOM 676 CG ARG A 45 -0.067 -18.202 6.033 1.00 0.00 C ATOM 677 CD ARG A 45 -0.484 -19.205 4.955 1.00 0.00 C ATOM 678 NE ARG A 45 -0.587 -20.561 5.539 1.00 0.00 N ATOM 679 CZ ARG A 45 -1.671 -21.026 6.174 1.00 0.00 C ATOM 680 NH1 ARG A 45 -2.753 -20.246 6.312 1.00 0.00 N ATOM 681 NH2 ARG A 45 -1.675 -22.270 6.672 1.00 0.00 N ATOM 0 H ARG A 45 -0.415 -17.044 3.710 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.237 -14.998 5.463 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.258 -16.796 7.153 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -2.004 -17.330 5.660 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.931 -17.823 5.815 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.014 -18.703 7.000 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.441 -18.912 4.524 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.244 -19.204 4.144 1.00 0.00 H new ATOM 0 HE ARG A 45 0.218 -21.181 5.452 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -2.751 -19.299 5.933 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -3.578 -20.600 6.795 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.852 -22.864 6.568 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -2.501 -22.623 7.155 1.00 0.00 H new ATOM 695 N GLN A 46 1.903 -15.686 5.409 1.00 0.00 N ATOM 696 CA GLN A 46 3.213 -15.337 5.932 1.00 0.00 C ATOM 697 C GLN A 46 3.546 -13.881 5.601 1.00 0.00 C ATOM 698 O GLN A 46 3.907 -13.107 6.486 1.00 0.00 O ATOM 699 CB GLN A 46 4.288 -16.282 5.392 1.00 0.00 C ATOM 700 CG GLN A 46 4.100 -17.698 5.940 1.00 0.00 C ATOM 701 CD GLN A 46 5.170 -18.028 6.984 1.00 0.00 C ATOM 702 OE1 GLN A 46 5.567 -17.200 7.787 1.00 0.00 O ATOM 703 NE2 GLN A 46 5.613 -19.281 6.926 1.00 0.00 N ATOM 0 H GLN A 46 1.917 -16.181 4.517 1.00 0.00 H new ATOM 0 HA GLN A 46 3.191 -15.446 7.016 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.246 -16.301 4.303 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.275 -15.910 5.667 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.110 -17.791 6.387 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.150 -18.418 5.123 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.237 -19.923 6.228 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.328 -19.600 7.579 1.00 0.00 H new ATOM 712 N ASP A 47 3.413 -13.552 4.324 1.00 0.00 N ATOM 713 CA ASP A 47 3.695 -12.203 3.866 1.00 0.00 C ATOM 714 C ASP A 47 2.610 -11.256 4.382 1.00 0.00 C ATOM 715 O ASP A 47 2.802 -10.041 4.407 1.00 0.00 O ATOM 716 CB ASP A 47 3.697 -12.130 2.337 1.00 0.00 C ATOM 717 CG ASP A 47 4.696 -13.061 1.647 1.00 0.00 C ATOM 718 OD1 ASP A 47 4.343 -14.248 1.480 1.00 0.00 O ATOM 719 OD2 ASP A 47 5.790 -12.564 1.302 1.00 0.00 O ATOM 0 H ASP A 47 3.114 -14.197 3.593 1.00 0.00 H new ATOM 0 HA ASP A 47 4.677 -11.918 4.243 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.696 -12.364 1.976 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.912 -11.104 2.037 1.00 0.00 H new ATOM 724 N ASP A 48 1.494 -11.848 4.783 1.00 0.00 N ATOM 725 CA ASP A 48 0.379 -11.072 5.297 1.00 0.00 C ATOM 726 C ASP A 48 0.913 -9.945 6.184 1.00 0.00 C ATOM 727 O ASP A 48 0.605 -8.776 5.961 1.00 0.00 O ATOM 728 CB ASP A 48 -0.551 -11.941 6.146 1.00 0.00 C ATOM 729 CG ASP A 48 -1.990 -12.037 5.636 1.00 0.00 C ATOM 730 OD1 ASP A 48 -2.231 -12.913 4.777 1.00 0.00 O ATOM 731 OD2 ASP A 48 -2.818 -11.233 6.116 1.00 0.00 O ATOM 0 H ASP A 48 1.339 -12.856 4.762 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.175 -10.674 4.447 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.133 -12.946 6.202 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.567 -11.545 7.161 1.00 0.00 H new ATOM 736 N GLU A 49 1.704 -10.338 7.172 1.00 0.00 N ATOM 737 CA GLU A 49 2.284 -9.375 8.094 1.00 0.00 C ATOM 738 C GLU A 49 2.856 -8.183 7.325 1.00 0.00 C ATOM 739 O GLU A 49 2.678 -7.035 7.730 1.00 0.00 O ATOM 740 CB GLU A 49 3.355 -10.030 8.968 1.00 0.00 C ATOM 741 CG GLU A 49 2.914 -10.079 10.432 1.00 0.00 C ATOM 742 CD GLU A 49 4.124 -10.124 11.368 1.00 0.00 C ATOM 743 OE1 GLU A 49 4.728 -11.214 11.463 1.00 0.00 O ATOM 744 OE2 GLU A 49 4.418 -9.067 11.967 1.00 0.00 O ATOM 0 H GLU A 49 1.957 -11.309 7.354 1.00 0.00 H new ATOM 0 HA GLU A 49 1.496 -9.012 8.754 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.553 -11.040 8.610 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.288 -9.473 8.884 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.305 -9.205 10.661 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.289 -10.956 10.598 1.00 0.00 H new ATOM 751 N VAL A 50 3.533 -8.495 6.229 1.00 0.00 N ATOM 752 CA VAL A 50 4.133 -7.464 5.400 1.00 0.00 C ATOM 753 C VAL A 50 3.050 -6.819 4.533 1.00 0.00 C ATOM 754 O VAL A 50 3.053 -5.606 4.329 1.00 0.00 O ATOM 755 CB VAL A 50 5.282 -8.054 4.581 1.00 0.00 C ATOM 756 CG1 VAL A 50 6.167 -6.947 4.003 1.00 0.00 C ATOM 757 CG2 VAL A 50 6.106 -9.033 5.419 1.00 0.00 C ATOM 0 H VAL A 50 3.679 -9.448 5.896 1.00 0.00 H new ATOM 0 HA VAL A 50 4.564 -6.678 6.020 1.00 0.00 H new ATOM 0 HB VAL A 50 4.850 -8.608 3.747 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.976 -7.393 3.425 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.570 -6.305 3.356 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.586 -6.354 4.816 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.916 -9.438 4.813 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.523 -8.513 6.281 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.467 -9.847 5.761 1.00 0.00 H new ATOM 767 N ILE A 51 2.149 -7.659 4.045 1.00 0.00 N ATOM 768 CA ILE A 51 1.062 -7.186 3.205 1.00 0.00 C ATOM 769 C ILE A 51 0.203 -6.198 3.997 1.00 0.00 C ATOM 770 O ILE A 51 0.225 -4.998 3.729 1.00 0.00 O ATOM 771 CB ILE A 51 0.274 -8.366 2.634 1.00 0.00 C ATOM 772 CG1 ILE A 51 1.197 -9.335 1.891 1.00 0.00 C ATOM 773 CG2 ILE A 51 -0.877 -7.881 1.751 1.00 0.00 C ATOM 774 CD1 ILE A 51 1.334 -8.942 0.419 1.00 0.00 C ATOM 0 H ILE A 51 2.150 -8.665 4.215 1.00 0.00 H new ATOM 0 HA ILE A 51 1.454 -6.647 2.342 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.167 -8.915 3.466 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.180 -9.341 2.363 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.802 -10.348 1.965 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.421 -8.740 1.358 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.553 -7.263 2.342 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.478 -7.294 0.923 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.995 -9.647 -0.086 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.353 -8.961 -0.056 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.752 -7.938 0.348 1.00 0.00 H new ATOM 786 N GLN A 52 -0.533 -6.740 4.956 1.00 0.00 N ATOM 787 CA GLN A 52 -1.397 -5.921 5.788 1.00 0.00 C ATOM 788 C GLN A 52 -0.632 -4.705 6.314 1.00 0.00 C ATOM 789 O GLN A 52 -1.209 -3.634 6.496 1.00 0.00 O ATOM 790 CB GLN A 52 -1.985 -6.739 6.940 1.00 0.00 C ATOM 791 CG GLN A 52 -2.892 -7.854 6.414 1.00 0.00 C ATOM 792 CD GLN A 52 -4.182 -7.943 7.232 1.00 0.00 C ATOM 793 OE1 GLN A 52 -5.278 -7.745 6.734 1.00 0.00 O ATOM 794 NE2 GLN A 52 -3.991 -8.250 8.512 1.00 0.00 N ATOM 0 H GLN A 52 -0.549 -7.736 5.175 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.227 -5.567 5.176 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.179 -7.171 7.533 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.553 -6.085 7.602 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.133 -7.668 5.367 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.364 -8.807 6.455 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.046 -8.403 8.864 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.789 -8.332 9.141 1.00 0.00 H new ATOM 803 N ARG A 53 0.657 -4.912 6.545 1.00 0.00 N ATOM 804 CA ARG A 53 1.507 -3.846 7.046 1.00 0.00 C ATOM 805 C ARG A 53 1.762 -2.810 5.950 1.00 0.00 C ATOM 806 O ARG A 53 1.526 -1.619 6.149 1.00 0.00 O ATOM 807 CB ARG A 53 2.847 -4.396 7.540 1.00 0.00 C ATOM 808 CG ARG A 53 3.860 -3.269 7.747 1.00 0.00 C ATOM 809 CD ARG A 53 3.404 -2.319 8.856 1.00 0.00 C ATOM 810 NE ARG A 53 3.305 -3.050 10.139 1.00 0.00 N ATOM 811 CZ ARG A 53 4.362 -3.439 10.866 1.00 0.00 C ATOM 812 NH1 ARG A 53 5.603 -3.170 10.440 1.00 0.00 N ATOM 813 NH2 ARG A 53 4.177 -4.098 12.018 1.00 0.00 N ATOM 0 H ARG A 53 1.132 -5.802 6.394 1.00 0.00 H new ATOM 0 HA ARG A 53 0.990 -3.375 7.882 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.700 -4.934 8.476 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.238 -5.113 6.818 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.832 -3.691 8.002 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.987 -2.714 6.817 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.109 -1.493 8.952 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.438 -1.885 8.600 1.00 0.00 H new ATOM 0 HE ARG A 53 2.374 -3.272 10.492 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.744 -2.669 9.563 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.407 -3.466 10.993 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.232 -4.304 12.342 1.00 0.00 H new ATOM 0 HH22 ARG A 53 4.981 -4.394 12.571 1.00 0.00 H new ATOM 827 N PHE A 54 2.242 -3.301 4.816 1.00 0.00 N ATOM 828 CA PHE A 54 2.531 -2.432 3.688 1.00 0.00 C ATOM 829 C PHE A 54 1.304 -1.603 3.305 1.00 0.00 C ATOM 830 O PHE A 54 1.436 -0.510 2.757 1.00 0.00 O ATOM 831 CB PHE A 54 2.908 -3.337 2.513 1.00 0.00 C ATOM 832 CG PHE A 54 2.767 -2.669 1.144 1.00 0.00 C ATOM 833 CD1 PHE A 54 1.531 -2.398 0.643 1.00 0.00 C ATOM 834 CD2 PHE A 54 3.876 -2.346 0.426 1.00 0.00 C ATOM 835 CE1 PHE A 54 1.400 -1.779 -0.627 1.00 0.00 C ATOM 836 CE2 PHE A 54 3.745 -1.726 -0.844 1.00 0.00 C ATOM 837 CZ PHE A 54 2.510 -1.456 -1.345 1.00 0.00 C ATOM 0 H PHE A 54 2.438 -4.289 4.655 1.00 0.00 H new ATOM 0 HA PHE A 54 3.335 -1.742 3.946 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.938 -3.669 2.639 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.280 -4.228 2.538 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.650 -2.654 1.212 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.857 -2.561 0.823 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.419 -1.564 -1.024 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.626 -1.469 -1.413 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.410 -0.986 -2.312 1.00 0.00 H new ATOM 847 N CYS A 55 0.138 -2.155 3.608 1.00 0.00 N ATOM 848 CA CYS A 55 -1.111 -1.480 3.302 1.00 0.00 C ATOM 849 C CYS A 55 -1.304 -0.346 4.310 1.00 0.00 C ATOM 850 O CYS A 55 -2.182 0.498 4.140 1.00 0.00 O ATOM 851 CB CYS A 55 -2.294 -2.452 3.304 1.00 0.00 C ATOM 852 SG CYS A 55 -2.201 -3.553 1.846 1.00 0.00 S ATOM 0 H CYS A 55 0.032 -3.062 4.062 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.066 -1.066 2.295 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.287 -3.045 4.219 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -3.232 -1.897 3.291 1.00 0.00 H new ATOM 0 HG CYS A 55 -2.675 -2.936 0.805 1.00 0.00 H new ATOM 858 N GLN A 56 -0.467 -0.362 5.338 1.00 0.00 N ATOM 859 CA GLN A 56 -0.534 0.656 6.373 1.00 0.00 C ATOM 860 C GLN A 56 0.368 1.838 6.015 1.00 0.00 C ATOM 861 O GLN A 56 0.082 2.976 6.383 1.00 0.00 O ATOM 862 CB GLN A 56 -0.160 0.074 7.738 1.00 0.00 C ATOM 863 CG GLN A 56 -1.035 -1.134 8.078 1.00 0.00 C ATOM 864 CD GLN A 56 -1.440 -1.119 9.554 1.00 0.00 C ATOM 865 OE1 GLN A 56 -2.352 -0.421 9.967 1.00 0.00 O ATOM 866 NE2 GLN A 56 -0.714 -1.926 10.322 1.00 0.00 N ATOM 0 H GLN A 56 0.261 -1.064 5.476 1.00 0.00 H new ATOM 0 HA GLN A 56 -1.561 1.015 6.436 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.889 -0.222 7.736 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.274 0.838 8.507 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.927 -1.129 7.452 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.494 -2.054 7.855 1.00 0.00 H new ATOM 0 HE21 GLN A 56 0.035 -2.483 9.911 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.906 -1.988 11.322 1.00 0.00 H new ATOM 875 N GLU A 57 1.440 1.528 5.300 1.00 0.00 N ATOM 876 CA GLU A 57 2.386 2.551 4.888 1.00 0.00 C ATOM 877 C GLU A 57 1.935 3.192 3.574 1.00 0.00 C ATOM 878 O GLU A 57 2.135 4.387 3.361 1.00 0.00 O ATOM 879 CB GLU A 57 3.797 1.973 4.760 1.00 0.00 C ATOM 880 CG GLU A 57 3.963 1.219 3.439 1.00 0.00 C ATOM 881 CD GLU A 57 5.424 0.824 3.214 1.00 0.00 C ATOM 882 OE1 GLU A 57 6.237 1.751 3.008 1.00 0.00 O ATOM 883 OE2 GLU A 57 5.695 -0.396 3.252 1.00 0.00 O ATOM 0 H GLU A 57 1.674 0.583 4.996 1.00 0.00 H new ATOM 0 HA GLU A 57 2.414 3.324 5.656 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.530 2.778 4.818 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.995 1.300 5.594 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.338 0.326 3.445 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.620 1.843 2.614 1.00 0.00 H new ATOM 890 N THR A 58 1.334 2.369 2.726 1.00 0.00 N ATOM 891 CA THR A 58 0.853 2.841 1.439 1.00 0.00 C ATOM 892 C THR A 58 -0.623 3.233 1.532 1.00 0.00 C ATOM 893 O THR A 58 -1.001 4.339 1.146 1.00 0.00 O ATOM 894 CB THR A 58 1.128 1.750 0.403 1.00 0.00 C ATOM 895 OG1 THR A 58 0.413 0.618 0.892 1.00 0.00 O ATOM 896 CG2 THR A 58 2.589 1.296 0.403 1.00 0.00 C ATOM 0 H THR A 58 1.170 1.379 2.906 1.00 0.00 H new ATOM 0 HA THR A 58 1.377 3.745 1.128 1.00 0.00 H new ATOM 0 HB THR A 58 0.862 2.117 -0.588 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.048 -0.077 1.165 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.729 0.521 -0.351 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.234 2.145 0.175 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.846 0.898 1.385 1.00 0.00 H new ATOM 904 N GLY A 59 -1.417 2.306 2.046 1.00 0.00 N ATOM 905 CA GLY A 59 -2.843 2.541 2.195 1.00 0.00 C ATOM 906 C GLY A 59 -3.635 1.811 1.109 1.00 0.00 C ATOM 907 O GLY A 59 -4.860 1.910 1.055 1.00 0.00 O ATOM 0 H GLY A 59 -1.100 1.390 2.365 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.170 2.203 3.178 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.047 3.611 2.142 1.00 0.00 H new ATOM 911 N VAL A 60 -2.903 1.094 0.269 1.00 0.00 N ATOM 912 CA VAL A 60 -3.522 0.347 -0.814 1.00 0.00 C ATOM 913 C VAL A 60 -4.222 -0.887 -0.241 1.00 0.00 C ATOM 914 O VAL A 60 -3.721 -1.512 0.692 1.00 0.00 O ATOM 915 CB VAL A 60 -2.477 0.003 -1.876 1.00 0.00 C ATOM 916 CG1 VAL A 60 -3.078 -0.883 -2.970 1.00 0.00 C ATOM 917 CG2 VAL A 60 -1.863 1.271 -2.474 1.00 0.00 C ATOM 0 H VAL A 60 -1.887 1.014 0.316 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.282 0.951 -1.310 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.679 -0.558 -1.390 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.314 -1.113 -3.713 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.444 -1.809 -2.528 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.904 -0.358 -3.450 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.123 0.997 -3.226 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.646 1.871 -2.937 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.381 1.849 -1.685 1.00 0.00 H new ATOM 927 N PRO A 61 -5.400 -1.209 -0.840 1.00 0.00 N ATOM 928 CA PRO A 61 -6.174 -2.357 -0.400 1.00 0.00 C ATOM 929 C PRO A 61 -5.535 -3.664 -0.875 1.00 0.00 C ATOM 930 O PRO A 61 -4.984 -3.726 -1.973 1.00 0.00 O ATOM 931 CB PRO A 61 -7.566 -2.135 -0.969 1.00 0.00 C ATOM 932 CG PRO A 61 -7.402 -1.118 -2.087 1.00 0.00 C ATOM 933 CD PRO A 61 -6.024 -0.492 -1.948 1.00 0.00 C ATOM 0 HA PRO A 61 -6.212 -2.447 0.686 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.986 -3.067 -1.347 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.247 -1.766 -0.202 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.506 -1.599 -3.059 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.177 -0.354 -2.025 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.446 -0.601 -2.865 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.093 0.576 -1.739 1.00 0.00 H new ATOM 941 N ARG A 62 -5.630 -4.675 -0.025 1.00 0.00 N ATOM 942 CA ARG A 62 -5.068 -5.977 -0.344 1.00 0.00 C ATOM 943 C ARG A 62 -5.558 -6.444 -1.716 1.00 0.00 C ATOM 944 O ARG A 62 -4.754 -6.721 -2.605 1.00 0.00 O ATOM 945 CB ARG A 62 -5.455 -7.017 0.709 1.00 0.00 C ATOM 946 CG ARG A 62 -4.832 -8.378 0.391 1.00 0.00 C ATOM 947 CD ARG A 62 -4.585 -9.180 1.670 1.00 0.00 C ATOM 948 NE ARG A 62 -5.492 -10.348 1.718 1.00 0.00 N ATOM 949 CZ ARG A 62 -5.731 -11.069 2.822 1.00 0.00 C ATOM 950 NH1 ARG A 62 -5.131 -10.746 3.976 1.00 0.00 N ATOM 951 NH2 ARG A 62 -6.570 -12.112 2.773 1.00 0.00 N ATOM 0 H ARG A 62 -6.088 -4.619 0.885 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.983 -5.876 -0.356 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.126 -6.683 1.693 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.540 -7.111 0.751 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.492 -8.938 -0.272 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.891 -8.236 -0.141 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.548 -9.513 1.706 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.747 -8.547 2.543 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.965 -10.622 0.857 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.493 -9.951 4.014 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.313 -11.295 4.816 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.027 -12.358 1.895 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -6.752 -12.660 3.614 1.00 0.00 H new ATOM 965 N GLN A 63 -6.874 -6.517 -1.846 1.00 0.00 N ATOM 966 CA GLN A 63 -7.480 -6.946 -3.095 1.00 0.00 C ATOM 967 C GLN A 63 -6.816 -6.238 -4.278 1.00 0.00 C ATOM 968 O GLN A 63 -6.718 -6.801 -5.367 1.00 0.00 O ATOM 969 CB GLN A 63 -8.990 -6.699 -3.086 1.00 0.00 C ATOM 970 CG GLN A 63 -9.690 -7.538 -4.156 1.00 0.00 C ATOM 971 CD GLN A 63 -10.810 -6.743 -4.831 1.00 0.00 C ATOM 972 OE1 GLN A 63 -10.932 -5.539 -4.676 1.00 0.00 O ATOM 973 NE2 GLN A 63 -11.618 -7.481 -5.587 1.00 0.00 N ATOM 0 H GLN A 63 -7.538 -6.286 -1.107 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.321 -8.019 -3.203 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.396 -6.943 -2.104 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -9.190 -5.642 -3.260 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -8.965 -7.858 -4.904 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -10.101 -8.441 -3.704 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -11.459 -8.485 -5.674 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -12.396 -7.043 -6.080 1.00 0.00 H new ATOM 982 N VAL A 64 -6.378 -5.014 -4.024 1.00 0.00 N ATOM 983 CA VAL A 64 -5.726 -4.223 -5.054 1.00 0.00 C ATOM 984 C VAL A 64 -4.273 -4.679 -5.196 1.00 0.00 C ATOM 985 O VAL A 64 -3.814 -4.968 -6.301 1.00 0.00 O ATOM 986 CB VAL A 64 -5.857 -2.734 -4.731 1.00 0.00 C ATOM 987 CG1 VAL A 64 -4.677 -1.944 -5.301 1.00 0.00 C ATOM 988 CG2 VAL A 64 -7.188 -2.177 -5.243 1.00 0.00 C ATOM 0 H VAL A 64 -6.462 -4.550 -3.119 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.211 -4.376 -6.018 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.842 -2.623 -3.647 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -4.794 -0.888 -5.057 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.748 -2.315 -4.868 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.647 -2.065 -6.384 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.256 -1.117 -5.000 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.245 -2.306 -6.324 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -8.012 -2.711 -4.770 1.00 0.00 H new ATOM 998 N LEU A 65 -3.587 -4.728 -4.063 1.00 0.00 N ATOM 999 CA LEU A 65 -2.195 -5.143 -4.048 1.00 0.00 C ATOM 1000 C LEU A 65 -2.077 -6.540 -4.661 1.00 0.00 C ATOM 1001 O LEU A 65 -1.014 -6.919 -5.150 1.00 0.00 O ATOM 1002 CB LEU A 65 -1.621 -5.041 -2.634 1.00 0.00 C ATOM 1003 CG LEU A 65 -0.101 -5.168 -2.516 1.00 0.00 C ATOM 1004 CD1 LEU A 65 0.358 -6.589 -2.848 1.00 0.00 C ATOM 1005 CD2 LEU A 65 0.605 -4.121 -3.380 1.00 0.00 C ATOM 0 H LEU A 65 -3.970 -4.487 -3.149 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.591 -4.474 -4.661 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.919 -4.082 -2.211 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.079 -5.817 -2.021 1.00 0.00 H new ATOM 0 HG LEU A 65 0.179 -4.973 -1.481 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.442 -6.652 -2.756 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.106 -7.292 -2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.065 -6.837 -3.868 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.684 -4.233 -3.278 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.323 -4.260 -4.424 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.311 -3.123 -3.055 1.00 0.00 H new ATOM 1017 N LYS A 66 -3.183 -7.267 -4.615 1.00 0.00 N ATOM 1018 CA LYS A 66 -3.217 -8.613 -5.160 1.00 0.00 C ATOM 1019 C LYS A 66 -3.352 -8.540 -6.682 1.00 0.00 C ATOM 1020 O LYS A 66 -2.428 -8.901 -7.409 1.00 0.00 O ATOM 1021 CB LYS A 66 -4.315 -9.437 -4.484 1.00 0.00 C ATOM 1022 CG LYS A 66 -4.680 -10.661 -5.327 1.00 0.00 C ATOM 1023 CD LYS A 66 -5.644 -11.579 -4.573 1.00 0.00 C ATOM 1024 CE LYS A 66 -4.881 -12.544 -3.663 1.00 0.00 C ATOM 1025 NZ LYS A 66 -5.421 -13.916 -3.794 1.00 0.00 N ATOM 0 H LYS A 66 -4.063 -6.949 -4.208 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.283 -9.133 -4.948 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.979 -9.757 -3.498 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.199 -8.818 -4.334 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.136 -10.339 -6.263 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.776 -11.212 -5.586 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.333 -10.979 -3.978 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.246 -12.144 -5.285 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.822 -12.537 -3.922 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.958 -12.214 -2.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.892 -14.558 -3.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -6.426 -13.921 -3.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.325 -14.234 -4.779 1.00 0.00 H new ATOM 1039 N VAL A 67 -4.511 -8.070 -7.119 1.00 0.00 N ATOM 1040 CA VAL A 67 -4.779 -7.945 -8.542 1.00 0.00 C ATOM 1041 C VAL A 67 -3.655 -7.141 -9.199 1.00 0.00 C ATOM 1042 O VAL A 67 -3.126 -7.540 -10.235 1.00 0.00 O ATOM 1043 CB VAL A 67 -6.162 -7.329 -8.762 1.00 0.00 C ATOM 1044 CG1 VAL A 67 -7.261 -8.234 -8.201 1.00 0.00 C ATOM 1045 CG2 VAL A 67 -6.241 -5.927 -8.153 1.00 0.00 C ATOM 0 H VAL A 67 -5.275 -7.771 -6.513 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.796 -8.927 -9.015 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.321 -7.237 -9.836 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.234 -7.773 -8.370 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.226 -9.202 -8.701 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.107 -8.373 -7.131 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.234 -5.512 -8.323 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.051 -5.985 -7.081 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -5.494 -5.285 -8.620 1.00 0.00 H new ATOM 1055 N TRP A 68 -3.324 -6.023 -8.569 1.00 0.00 N ATOM 1056 CA TRP A 68 -2.272 -5.160 -9.080 1.00 0.00 C ATOM 1057 C TRP A 68 -1.169 -6.049 -9.657 1.00 0.00 C ATOM 1058 O TRP A 68 -0.874 -5.982 -10.849 1.00 0.00 O ATOM 1059 CB TRP A 68 -1.767 -4.210 -7.992 1.00 0.00 C ATOM 1060 CG TRP A 68 -0.681 -3.242 -8.467 1.00 0.00 C ATOM 1061 CD1 TRP A 68 -0.835 -2.003 -8.952 1.00 0.00 C ATOM 1062 CD2 TRP A 68 0.742 -3.487 -8.482 1.00 0.00 C ATOM 1063 NE1 TRP A 68 0.379 -1.433 -9.278 1.00 0.00 N ATOM 1064 CE2 TRP A 68 1.368 -2.364 -8.982 1.00 0.00 C ATOM 1065 CE3 TRP A 68 1.475 -4.619 -8.085 1.00 0.00 C ATOM 1066 CZ2 TRP A 68 2.756 -2.263 -9.133 1.00 0.00 C ATOM 1067 CZ3 TRP A 68 2.861 -4.503 -8.242 1.00 0.00 C ATOM 1068 CH2 TRP A 68 3.507 -3.379 -8.744 1.00 0.00 C ATOM 0 H TRP A 68 -3.765 -5.695 -7.710 1.00 0.00 H new ATOM 0 HA TRP A 68 -2.651 -4.518 -9.875 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -2.609 -3.635 -7.607 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -1.377 -4.799 -7.162 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -1.789 -1.512 -9.073 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.524 -0.500 -9.665 1.00 0.00 H new ATOM 0 HE3 TRP A 68 1.006 -5.508 -7.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 3.222 -1.373 -9.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 3.471 -5.346 -7.953 1.00 0.00 H new ATOM 0 HH2 TRP A 68 4.583 -3.367 -8.834 1.00 0.00 H new ATOM 1079 N LEU A 69 -0.591 -6.861 -8.785 1.00 0.00 N ATOM 1080 CA LEU A 69 0.473 -7.762 -9.193 1.00 0.00 C ATOM 1081 C LEU A 69 0.061 -8.481 -10.479 1.00 0.00 C ATOM 1082 O LEU A 69 0.783 -8.443 -11.475 1.00 0.00 O ATOM 1083 CB LEU A 69 0.841 -8.710 -8.050 1.00 0.00 C ATOM 1084 CG LEU A 69 1.195 -8.047 -6.717 1.00 0.00 C ATOM 1085 CD1 LEU A 69 0.826 -8.952 -5.540 1.00 0.00 C ATOM 1086 CD2 LEU A 69 2.668 -7.636 -6.683 1.00 0.00 C ATOM 0 H LEU A 69 -0.839 -6.914 -7.797 1.00 0.00 H new ATOM 0 HA LEU A 69 1.381 -7.202 -9.417 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.005 -9.390 -7.885 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.688 -9.318 -8.367 1.00 0.00 H new ATOM 0 HG LEU A 69 0.604 -7.136 -6.621 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.088 -8.457 -4.605 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.245 -9.152 -5.557 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.372 -9.892 -5.619 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.893 -7.167 -5.725 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.295 -8.518 -6.812 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.867 -6.929 -7.488 1.00 0.00 H new ATOM 1098 N HIS A 70 -1.098 -9.121 -10.417 1.00 0.00 N ATOM 1099 CA HIS A 70 -1.614 -9.847 -11.564 1.00 0.00 C ATOM 1100 C HIS A 70 -1.754 -8.896 -12.754 1.00 0.00 C ATOM 1101 O HIS A 70 -1.550 -9.294 -13.899 1.00 0.00 O ATOM 1102 CB HIS A 70 -2.925 -10.555 -11.214 1.00 0.00 C ATOM 1103 CG HIS A 70 -3.228 -11.752 -12.083 1.00 0.00 C ATOM 1104 ND1 HIS A 70 -2.835 -13.037 -11.753 1.00 0.00 N ATOM 1105 CD2 HIS A 70 -3.890 -11.845 -13.272 1.00 0.00 C ATOM 1106 CE1 HIS A 70 -3.246 -13.859 -12.707 1.00 0.00 C ATOM 1107 NE2 HIS A 70 -3.899 -13.118 -13.648 1.00 0.00 N ATOM 0 H HIS A 70 -1.694 -9.151 -9.590 1.00 0.00 H new ATOM 0 HA HIS A 70 -0.911 -10.629 -11.850 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -2.886 -10.875 -10.173 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -3.745 -9.842 -11.298 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -4.332 -11.023 -13.815 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.091 -14.928 -12.735 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -4.324 -13.482 -14.501 1.00 0.00 H new ATOM 1115 N ASN A 71 -2.102 -7.656 -12.441 1.00 0.00 N ATOM 1116 CA ASN A 71 -2.271 -6.644 -13.470 1.00 0.00 C ATOM 1117 C ASN A 71 -0.901 -6.263 -14.035 1.00 0.00 C ATOM 1118 O ASN A 71 -0.814 -5.637 -15.090 1.00 0.00 O ATOM 1119 CB ASN A 71 -2.916 -5.380 -12.899 1.00 0.00 C ATOM 1120 CG ASN A 71 -4.343 -5.207 -13.422 1.00 0.00 C ATOM 1121 OD1 ASN A 71 -4.573 -4.794 -14.547 1.00 0.00 O ATOM 1122 ND2 ASN A 71 -5.285 -5.546 -12.547 1.00 0.00 N ATOM 0 H ASN A 71 -2.271 -7.330 -11.490 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.914 -7.057 -14.247 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.928 -5.434 -11.810 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.318 -4.509 -13.168 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.270 -5.467 -12.802 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.023 -5.885 -11.621 1.00 0.00 H new ATOM 1129 N ASN A 72 0.134 -6.656 -13.308 1.00 0.00 N ATOM 1130 CA ASN A 72 1.495 -6.364 -13.723 1.00 0.00 C ATOM 1131 C ASN A 72 2.273 -7.673 -13.865 1.00 0.00 C ATOM 1132 O ASN A 72 2.303 -8.268 -14.941 1.00 0.00 O ATOM 1133 CB ASN A 72 2.213 -5.497 -12.686 1.00 0.00 C ATOM 1134 CG ASN A 72 1.801 -4.029 -12.819 1.00 0.00 C ATOM 1135 OD1 ASN A 72 2.571 -3.177 -13.230 1.00 0.00 O ATOM 1136 ND2 ASN A 72 0.548 -3.783 -12.449 1.00 0.00 N ATOM 0 H ASN A 72 0.057 -7.175 -12.433 1.00 0.00 H new ATOM 0 HA ASN A 72 1.450 -5.829 -14.672 1.00 0.00 H new ATOM 0 HB2 ASN A 72 1.979 -5.855 -11.683 1.00 0.00 H new ATOM 0 HB3 ASN A 72 3.292 -5.589 -12.814 1.00 0.00 H new ATOM 0 HD21 ASN A 72 0.178 -2.834 -12.500 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -0.043 -4.543 -12.114 1.00 0.00 H new ATOM 1143 N LYS A 73 2.884 -8.084 -12.763 1.00 0.00 N ATOM 1144 CA LYS A 73 3.660 -9.312 -12.751 1.00 0.00 C ATOM 1145 C LYS A 73 4.378 -9.470 -14.093 1.00 0.00 C ATOM 1146 O LYS A 73 4.114 -10.415 -14.835 1.00 0.00 O ATOM 1147 CB LYS A 73 2.773 -10.503 -12.384 1.00 0.00 C ATOM 1148 CG LYS A 73 3.135 -11.051 -11.002 1.00 0.00 C ATOM 1149 CD LYS A 73 2.932 -12.566 -10.942 1.00 0.00 C ATOM 1150 CE LYS A 73 1.820 -12.932 -9.957 1.00 0.00 C ATOM 1151 NZ LYS A 73 0.544 -13.154 -10.675 1.00 0.00 N ATOM 0 H LYS A 73 2.857 -7.588 -11.872 1.00 0.00 H new ATOM 0 HA LYS A 73 4.430 -9.268 -11.981 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.726 -10.199 -12.396 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.885 -11.288 -13.131 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.173 -10.810 -10.772 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.520 -10.568 -10.243 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.682 -12.943 -11.934 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.862 -13.049 -10.642 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.095 -13.831 -9.406 1.00 0.00 H new ATOM 0 HE3 LYS A 73 1.698 -12.134 -9.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.211 -13.351 -9.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.301 -12.303 -11.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.645 -13.963 -11.320 1.00 0.00 H new ATOM 1165 N HIS A 74 5.271 -8.530 -14.365 1.00 0.00 N ATOM 1166 CA HIS A 74 6.028 -8.552 -15.605 1.00 0.00 C ATOM 1167 C HIS A 74 6.441 -9.990 -15.928 1.00 0.00 C ATOM 1168 O HIS A 74 7.415 -10.499 -15.376 1.00 0.00 O ATOM 1169 CB HIS A 74 7.220 -7.596 -15.531 1.00 0.00 C ATOM 1170 CG HIS A 74 6.840 -6.136 -15.598 1.00 0.00 C ATOM 1171 ND1 HIS A 74 7.485 -5.231 -16.423 1.00 0.00 N ATOM 1172 CD2 HIS A 74 5.876 -5.434 -14.935 1.00 0.00 C ATOM 1173 CE1 HIS A 74 6.926 -4.041 -16.256 1.00 0.00 C ATOM 1174 NE2 HIS A 74 5.930 -4.169 -15.333 1.00 0.00 N ATOM 0 H HIS A 74 5.487 -7.748 -13.747 1.00 0.00 H new ATOM 0 HA HIS A 74 5.402 -8.197 -16.424 1.00 0.00 H new ATOM 0 HB2 HIS A 74 7.762 -7.778 -14.603 1.00 0.00 H new ATOM 0 HB3 HIS A 74 7.905 -7.821 -16.349 1.00 0.00 H new ATOM 0 HD2 HIS A 74 5.186 -5.839 -14.209 1.00 0.00 H new ATOM 0 HE1 HIS A 74 7.209 -3.130 -16.762 1.00 0.00 H new ATOM 0 HE2 HIS A 74 5.326 -3.416 -15.003 1.00 0.00 H new ATOM 1182 N SER A 75 5.678 -10.604 -16.820 1.00 0.00 N ATOM 1183 CA SER A 75 5.952 -11.973 -17.223 1.00 0.00 C ATOM 1184 C SER A 75 6.145 -12.044 -18.739 1.00 0.00 C ATOM 1185 O SER A 75 6.003 -11.039 -19.434 1.00 0.00 O ATOM 1186 CB SER A 75 4.825 -12.912 -16.788 1.00 0.00 C ATOM 1187 OG SER A 75 4.841 -13.149 -15.383 1.00 0.00 O ATOM 0 H SER A 75 4.870 -10.179 -17.275 1.00 0.00 H new ATOM 0 HA SER A 75 6.869 -12.297 -16.730 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.865 -12.482 -17.072 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.919 -13.860 -17.317 1.00 0.00 H new ATOM 0 HG SER A 75 4.613 -12.322 -14.909 1.00 0.00 H new ATOM 1193 N GLY A 76 6.467 -13.241 -19.208 1.00 0.00 N ATOM 1194 CA GLY A 76 6.681 -13.455 -20.629 1.00 0.00 C ATOM 1195 C GLY A 76 5.349 -13.592 -21.369 1.00 0.00 C ATOM 1196 O GLY A 76 4.518 -12.686 -21.333 1.00 0.00 O ATOM 0 H GLY A 76 6.585 -14.072 -18.629 1.00 0.00 H new ATOM 0 HA2 GLY A 76 7.248 -12.622 -21.045 1.00 0.00 H new ATOM 0 HA3 GLY A 76 7.279 -14.354 -20.779 1.00 0.00 H new ATOM 1200 N PRO A 77 5.183 -14.763 -22.042 1.00 0.00 N ATOM 1201 CA PRO A 77 3.967 -15.030 -22.790 1.00 0.00 C ATOM 1202 C PRO A 77 2.807 -15.365 -21.850 1.00 0.00 C ATOM 1203 O PRO A 77 2.798 -16.424 -21.222 1.00 0.00 O ATOM 1204 CB PRO A 77 4.323 -16.174 -23.725 1.00 0.00 C ATOM 1205 CG PRO A 77 5.576 -16.811 -23.145 1.00 0.00 C ATOM 1206 CD PRO A 77 6.146 -15.859 -22.107 1.00 0.00 C ATOM 0 HA PRO A 77 3.622 -14.164 -23.355 1.00 0.00 H new ATOM 0 HB2 PRO A 77 3.509 -16.897 -23.785 1.00 0.00 H new ATOM 0 HB3 PRO A 77 4.502 -15.810 -24.737 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.340 -17.773 -22.691 1.00 0.00 H new ATOM 0 HG3 PRO A 77 6.307 -17.000 -23.931 1.00 0.00 H new ATOM 0 HD2 PRO A 77 6.256 -16.348 -21.139 1.00 0.00 H new ATOM 0 HD3 PRO A 77 7.134 -15.502 -22.397 1.00 0.00 H new ATOM 1214 N SER A 78 1.857 -14.445 -21.782 1.00 0.00 N ATOM 1215 CA SER A 78 0.695 -14.630 -20.929 1.00 0.00 C ATOM 1216 C SER A 78 -0.453 -13.741 -21.409 1.00 0.00 C ATOM 1217 O SER A 78 -0.594 -12.605 -20.959 1.00 0.00 O ATOM 1218 CB SER A 78 1.030 -14.321 -19.468 1.00 0.00 C ATOM 1219 OG SER A 78 1.364 -15.498 -18.736 1.00 0.00 O ATOM 0 H SER A 78 1.868 -13.569 -22.304 1.00 0.00 H new ATOM 0 HA SER A 78 0.388 -15.674 -20.991 1.00 0.00 H new ATOM 0 HB2 SER A 78 1.864 -13.620 -19.428 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.178 -13.830 -18.997 1.00 0.00 H new ATOM 0 HG SER A 78 1.905 -16.090 -19.298 1.00 0.00 H new ATOM 1225 N SER A 79 -1.246 -14.292 -22.317 1.00 0.00 N ATOM 1226 CA SER A 79 -2.378 -13.563 -22.863 1.00 0.00 C ATOM 1227 C SER A 79 -3.272 -14.510 -23.666 1.00 0.00 C ATOM 1228 O SER A 79 -2.915 -15.666 -23.889 1.00 0.00 O ATOM 1229 CB SER A 79 -1.912 -12.400 -23.742 1.00 0.00 C ATOM 1230 OG SER A 79 -2.429 -11.151 -23.292 1.00 0.00 O ATOM 0 H SER A 79 -1.127 -15.235 -22.688 1.00 0.00 H new ATOM 0 HA SER A 79 -2.951 -13.149 -22.033 1.00 0.00 H new ATOM 0 HB2 SER A 79 -0.823 -12.362 -23.745 1.00 0.00 H new ATOM 0 HB3 SER A 79 -2.228 -12.574 -24.771 1.00 0.00 H new ATOM 0 HG SER A 79 -2.108 -10.434 -23.878 1.00 0.00 H new ATOM 1236 N GLY A 80 -4.417 -13.985 -24.078 1.00 0.00 N ATOM 1237 CA GLY A 80 -5.364 -14.770 -24.851 1.00 0.00 C ATOM 1238 C GLY A 80 -6.721 -14.840 -24.147 1.00 0.00 C ATOM 1239 O GLY A 80 -6.807 -14.644 -22.936 1.00 0.00 O ATOM 0 H GLY A 80 -4.710 -13.026 -23.891 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.486 -14.329 -25.840 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -4.974 -15.777 -24.997 1.00 0.00 H new TER 1243 GLY A 80