USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 654 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 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 33:sc= 0.321 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.227 X(o=-0.23,f=0) USER MOD Single : A 7 GLN : amide:sc= -0.0136 K(o=-0.014,f=-1) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl -135:sc= 0 (180deg=-2.49!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0686 USER MOD Single : A 46 MET CE :methyl 163:sc= -0.229 (180deg=-1.14) USER MOD Single : A 51 GLN : amide:sc= -0.106 K(o=-0.11,f=-1.5) USER MOD Single : A 52 ASN : amide:sc= -0.0839 K(o=-0.084,f=-1.3!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -167:sc= -0.235 (180deg=-0.415) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 168:sc= -4.16! (180deg=-4.44!) USER MOD Single : A 82 MET CE :methyl -173:sc= -0.131 (180deg=-0.331) USER MOD Single : A 85 GLN : amide:sc= -0.567 X(o=-0.57,f=-0.72) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -21.591 -2.130 3.305 1.00 0.00 N ATOM 2 CA ALA A 1 -20.541 -1.884 2.295 1.00 0.00 C ATOM 3 C ALA A 1 -20.844 -0.565 1.532 1.00 0.00 C ATOM 4 O ALA A 1 -21.675 -0.540 0.617 1.00 0.00 O ATOM 5 CB ALA A 1 -20.439 -3.088 1.340 1.00 0.00 C ATOM 0 H1 ALA A 1 -21.384 -3.014 3.813 1.00 0.00 H new ATOM 0 H2 ALA A 1 -21.615 -1.340 3.981 1.00 0.00 H new ATOM 0 H3 ALA A 1 -22.514 -2.210 2.833 1.00 0.00 H new ATOM 0 HA ALA A 1 -19.575 -1.770 2.787 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -19.663 -2.899 0.598 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -20.187 -3.983 1.909 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -21.394 -3.235 0.836 1.00 0.00 H new ATOM 13 N SER A 2 -20.151 0.521 1.922 1.00 0.00 N ATOM 14 CA SER A 2 -20.317 1.858 1.293 1.00 0.00 C ATOM 15 C SER A 2 -19.010 2.681 1.456 1.00 0.00 C ATOM 16 O SER A 2 -18.838 3.406 2.443 1.00 0.00 O ATOM 17 CB SER A 2 -21.542 2.570 1.912 1.00 0.00 C ATOM 18 OG SER A 2 -22.749 2.193 1.258 1.00 0.00 O ATOM 0 H SER A 2 -19.464 0.504 2.676 1.00 0.00 H new ATOM 0 HA SER A 2 -20.502 1.753 0.224 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.609 2.325 2.972 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.411 3.650 1.842 1.00 0.00 H new ATOM 0 HG SER A 2 -22.679 1.265 0.952 1.00 0.00 H new ATOM 24 N MET A 3 -18.097 2.551 0.475 1.00 0.00 N ATOM 25 CA MET A 3 -16.840 3.343 0.424 1.00 0.00 C ATOM 26 C MET A 3 -17.050 4.520 -0.568 1.00 0.00 C ATOM 27 O MET A 3 -16.552 4.491 -1.699 1.00 0.00 O ATOM 28 CB MET A 3 -15.632 2.447 0.031 1.00 0.00 C ATOM 29 CG MET A 3 -15.590 1.053 0.686 1.00 0.00 C ATOM 30 SD MET A 3 -14.342 0.022 -0.116 1.00 0.00 S ATOM 31 CE MET A 3 -15.119 -1.605 -0.036 1.00 0.00 C ATOM 0 H MET A 3 -18.203 1.900 -0.303 1.00 0.00 H new ATOM 0 HA MET A 3 -16.606 3.747 1.409 1.00 0.00 H new ATOM 0 HB2 MET A 3 -15.636 2.319 -1.051 1.00 0.00 H new ATOM 0 HB3 MET A 3 -14.714 2.975 0.286 1.00 0.00 H new ATOM 0 HG2 MET A 3 -15.364 1.149 1.748 1.00 0.00 H new ATOM 0 HG3 MET A 3 -16.568 0.578 0.610 1.00 0.00 H new ATOM 0 HE1 MET A 3 -14.463 -2.345 -0.494 1.00 0.00 H new ATOM 0 HE2 MET A 3 -15.296 -1.873 1.006 1.00 0.00 H new ATOM 0 HE3 MET A 3 -16.068 -1.582 -0.571 1.00 0.00 H new ATOM 41 N THR A 4 -17.818 5.536 -0.131 1.00 0.00 N ATOM 42 CA THR A 4 -18.067 6.769 -0.925 1.00 0.00 C ATOM 43 C THR A 4 -16.740 7.564 -1.064 1.00 0.00 C ATOM 44 O THR A 4 -16.501 8.219 -2.086 1.00 0.00 O ATOM 45 CB THR A 4 -19.221 7.624 -0.314 1.00 0.00 C ATOM 46 OG1 THR A 4 -20.489 7.152 -0.764 1.00 0.00 O ATOM 47 CG2 THR A 4 -19.146 9.134 -0.608 1.00 0.00 C ATOM 0 H THR A 4 -18.284 5.532 0.776 1.00 0.00 H new ATOM 0 HA THR A 4 -18.405 6.493 -1.924 1.00 0.00 H new ATOM 0 HB THR A 4 -19.100 7.502 0.762 1.00 0.00 H new ATOM 0 HG1 THR A 4 -21.200 7.699 -0.370 1.00 0.00 H new ATOM 0 HG21 THR A 4 -19.992 9.638 -0.140 1.00 0.00 H new ATOM 0 HG22 THR A 4 -18.216 9.537 -0.207 1.00 0.00 H new ATOM 0 HG23 THR A 4 -19.177 9.297 -1.685 1.00 0.00 H new ATOM 55 N ASP A 5 -15.888 7.496 -0.024 1.00 0.00 N ATOM 56 CA ASP A 5 -14.578 8.199 -0.001 1.00 0.00 C ATOM 57 C ASP A 5 -13.824 7.802 1.297 1.00 0.00 C ATOM 58 O ASP A 5 -13.290 8.661 2.007 1.00 0.00 O ATOM 59 CB ASP A 5 -14.749 9.739 -0.147 1.00 0.00 C ATOM 60 CG ASP A 5 -15.695 10.413 0.863 1.00 0.00 C ATOM 61 OD1 ASP A 5 -16.437 9.694 1.569 1.00 0.00 O ATOM 62 OD2 ASP A 5 -15.699 11.661 0.950 1.00 0.00 O ATOM 0 H ASP A 5 -16.080 6.958 0.821 1.00 0.00 H new ATOM 0 HA ASP A 5 -13.981 7.891 -0.859 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -13.767 10.203 -0.060 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -15.113 9.950 -1.152 1.00 0.00 H new ATOM 67 N GLN A 6 -13.819 6.491 1.602 1.00 0.00 N ATOM 68 CA GLN A 6 -13.218 5.946 2.848 1.00 0.00 C ATOM 69 C GLN A 6 -11.672 5.973 2.698 1.00 0.00 C ATOM 70 O GLN A 6 -10.948 6.217 3.670 1.00 0.00 O ATOM 71 CB GLN A 6 -13.748 4.511 3.129 1.00 0.00 C ATOM 72 CG GLN A 6 -13.950 4.137 4.617 1.00 0.00 C ATOM 73 CD GLN A 6 -13.502 2.708 4.970 1.00 0.00 C ATOM 74 OE1 GLN A 6 -12.881 2.471 6.006 1.00 0.00 O ATOM 75 NE2 GLN A 6 -13.806 1.731 4.129 1.00 0.00 N ATOM 0 H GLN A 6 -14.228 5.777 0.999 1.00 0.00 H new ATOM 0 HA GLN A 6 -13.502 6.558 3.704 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -14.700 4.390 2.613 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -13.053 3.797 2.687 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -13.398 4.843 5.237 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -15.005 4.249 4.869 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -14.321 1.937 3.273 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -13.525 0.773 4.337 1.00 0.00 H new ATOM 84 N GLN A 7 -11.188 5.690 1.474 1.00 0.00 N ATOM 85 CA GLN A 7 -9.734 5.646 1.164 1.00 0.00 C ATOM 86 C GLN A 7 -9.160 7.081 1.312 1.00 0.00 C ATOM 87 O GLN A 7 -8.036 7.266 1.795 1.00 0.00 O ATOM 88 CB GLN A 7 -9.493 5.069 -0.260 1.00 0.00 C ATOM 89 CG GLN A 7 -10.128 5.856 -1.432 1.00 0.00 C ATOM 90 CD GLN A 7 -10.224 5.056 -2.743 1.00 0.00 C ATOM 91 OE1 GLN A 7 -10.302 3.828 -2.738 1.00 0.00 O ATOM 92 NE2 GLN A 7 -10.224 5.726 -3.886 1.00 0.00 N ATOM 0 H GLN A 7 -11.784 5.486 0.672 1.00 0.00 H new ATOM 0 HA GLN A 7 -9.219 4.983 1.860 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -8.418 5.011 -0.429 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -9.875 4.049 -0.286 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -11.128 6.178 -1.141 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -9.542 6.758 -1.610 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -10.159 6.744 -3.880 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -10.289 5.224 -4.771 1.00 0.00 H new ATOM 101 N ALA A 8 -9.935 8.087 0.863 1.00 0.00 N ATOM 102 CA ALA A 8 -9.496 9.508 0.859 1.00 0.00 C ATOM 103 C ALA A 8 -9.357 10.024 2.318 1.00 0.00 C ATOM 104 O ALA A 8 -8.539 10.908 2.598 1.00 0.00 O ATOM 105 CB ALA A 8 -10.506 10.340 0.045 1.00 0.00 C ATOM 0 H ALA A 8 -10.876 7.947 0.495 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.517 9.603 0.389 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.193 11.384 0.036 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.547 9.964 -0.977 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.493 10.261 0.500 1.00 0.00 H new ATOM 111 N GLU A 9 -10.170 9.458 3.229 1.00 0.00 N ATOM 112 CA GLU A 9 -10.146 9.809 4.674 1.00 0.00 C ATOM 113 C GLU A 9 -8.671 9.806 5.161 1.00 0.00 C ATOM 114 O GLU A 9 -8.295 10.589 6.042 1.00 0.00 O ATOM 115 CB GLU A 9 -11.060 8.853 5.493 1.00 0.00 C ATOM 116 CG GLU A 9 -11.464 9.319 6.912 1.00 0.00 C ATOM 117 CD GLU A 9 -11.916 8.184 7.837 1.00 0.00 C ATOM 118 OE1 GLU A 9 -11.400 7.052 7.702 1.00 0.00 O ATOM 119 OE2 GLU A 9 -12.790 8.418 8.700 1.00 0.00 O ATOM 0 H GLU A 9 -10.862 8.747 2.993 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.552 10.809 4.828 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.971 8.680 4.920 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.553 7.892 5.583 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.618 9.831 7.370 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.270 10.048 6.828 1.00 0.00 H new ATOM 126 N ALA A 10 -7.856 8.896 4.597 1.00 0.00 N ATOM 127 CA ALA A 10 -6.445 8.697 5.024 1.00 0.00 C ATOM 128 C ALA A 10 -5.582 9.914 4.590 1.00 0.00 C ATOM 129 O ALA A 10 -4.752 10.406 5.363 1.00 0.00 O ATOM 130 CB ALA A 10 -5.917 7.377 4.429 1.00 0.00 C ATOM 0 H ALA A 10 -8.147 8.279 3.838 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.387 8.628 6.110 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.883 7.226 4.739 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.527 6.547 4.786 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.967 7.423 3.341 1.00 0.00 H new ATOM 136 N ARG A 11 -5.776 10.363 3.335 1.00 0.00 N ATOM 137 CA ARG A 11 -4.994 11.476 2.735 1.00 0.00 C ATOM 138 C ARG A 11 -5.044 12.688 3.705 1.00 0.00 C ATOM 139 O ARG A 11 -4.015 13.318 3.979 1.00 0.00 O ATOM 140 CB ARG A 11 -5.557 11.849 1.334 1.00 0.00 C ATOM 141 CG ARG A 11 -4.646 12.768 0.488 1.00 0.00 C ATOM 142 CD ARG A 11 -5.325 14.096 0.103 1.00 0.00 C ATOM 143 NE ARG A 11 -6.202 13.946 -1.086 1.00 0.00 N ATOM 144 CZ ARG A 11 -6.115 14.695 -2.205 1.00 0.00 C ATOM 145 NH1 ARG A 11 -5.681 15.950 -2.182 1.00 0.00 N ATOM 146 NH2 ARG A 11 -6.473 14.185 -3.373 1.00 0.00 N ATOM 0 H ARG A 11 -6.476 9.970 2.705 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.958 11.170 2.592 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.740 10.931 0.776 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.521 12.340 1.465 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -3.734 12.981 1.046 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.349 12.241 -0.419 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.914 14.460 0.945 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.562 14.848 -0.101 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.922 13.225 -1.055 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.401 16.377 -1.299 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.628 16.487 -3.047 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.815 13.226 -3.427 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.407 14.752 -4.219 1.00 0.00 H new ATOM 160 N ALA A 12 -6.258 13.014 4.189 1.00 0.00 N ATOM 161 CA ALA A 12 -6.486 14.183 5.082 1.00 0.00 C ATOM 162 C ALA A 12 -5.432 14.193 6.222 1.00 0.00 C ATOM 163 O ALA A 12 -4.865 15.243 6.549 1.00 0.00 O ATOM 164 CB ALA A 12 -7.925 14.133 5.633 1.00 0.00 C ATOM 0 H ALA A 12 -7.105 12.485 3.979 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.370 15.110 4.520 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.094 14.988 6.287 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.633 14.164 4.805 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.067 13.211 6.197 1.00 0.00 H new ATOM 170 N PHE A 13 -5.200 13.016 6.833 1.00 0.00 N ATOM 171 CA PHE A 13 -4.296 12.875 8.006 1.00 0.00 C ATOM 172 C PHE A 13 -2.843 13.189 7.557 1.00 0.00 C ATOM 173 O PHE A 13 -2.112 13.911 8.244 1.00 0.00 O ATOM 174 CB PHE A 13 -4.441 11.453 8.623 1.00 0.00 C ATOM 175 CG PHE A 13 -3.254 10.994 9.494 1.00 0.00 C ATOM 176 CD1 PHE A 13 -2.096 10.480 8.899 1.00 0.00 C ATOM 177 CD2 PHE A 13 -3.328 11.075 10.889 1.00 0.00 C ATOM 178 CE1 PHE A 13 -1.041 10.028 9.689 1.00 0.00 C ATOM 179 CE2 PHE A 13 -2.274 10.618 11.677 1.00 0.00 C ATOM 180 CZ PHE A 13 -1.131 10.098 11.077 1.00 0.00 C ATOM 0 H PHE A 13 -5.627 12.139 6.536 1.00 0.00 H new ATOM 0 HA PHE A 13 -4.566 13.583 8.789 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.347 11.427 9.228 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.577 10.735 7.814 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.020 10.434 7.823 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.207 11.494 11.357 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.154 9.623 9.225 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.344 10.667 12.754 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.313 9.748 11.689 1.00 0.00 H new ATOM 190 N LEU A 14 -2.452 12.644 6.390 1.00 0.00 N ATOM 191 CA LEU A 14 -1.087 12.816 5.825 1.00 0.00 C ATOM 192 C LEU A 14 -0.992 14.241 5.216 1.00 0.00 C ATOM 193 O LEU A 14 -2.013 14.905 4.999 1.00 0.00 O ATOM 194 CB LEU A 14 -0.787 11.705 4.775 1.00 0.00 C ATOM 195 CG LEU A 14 -1.309 10.271 5.085 1.00 0.00 C ATOM 196 CD1 LEU A 14 -1.228 9.358 3.846 1.00 0.00 C ATOM 197 CD2 LEU A 14 -0.557 9.621 6.265 1.00 0.00 C ATOM 0 H LEU A 14 -3.066 12.073 5.809 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.332 12.715 6.605 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.210 12.019 3.821 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.293 11.649 4.642 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.355 10.382 5.370 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.601 8.366 4.100 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.834 9.779 3.044 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.192 9.283 3.516 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.955 8.622 6.444 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.504 9.551 6.026 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.688 10.230 7.160 1.00 0.00 H new ATOM 209 N SER A 15 0.245 14.682 4.919 1.00 0.00 N ATOM 210 CA SER A 15 0.512 16.015 4.316 1.00 0.00 C ATOM 211 C SER A 15 0.874 15.851 2.815 1.00 0.00 C ATOM 212 O SER A 15 1.013 14.728 2.316 1.00 0.00 O ATOM 213 CB SER A 15 1.627 16.727 5.115 1.00 0.00 C ATOM 214 OG SER A 15 1.087 17.533 6.158 1.00 0.00 O ATOM 0 H SER A 15 1.088 14.133 5.087 1.00 0.00 H new ATOM 0 HA SER A 15 -0.381 16.638 4.367 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.303 15.985 5.540 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.218 17.348 4.442 1.00 0.00 H new ATOM 0 HG SER A 15 1.817 17.969 6.646 1.00 0.00 H new ATOM 220 N GLU A 16 1.029 16.988 2.111 1.00 0.00 N ATOM 221 CA GLU A 16 1.383 17.008 0.667 1.00 0.00 C ATOM 222 C GLU A 16 2.862 16.552 0.514 1.00 0.00 C ATOM 223 O GLU A 16 3.170 15.638 -0.260 1.00 0.00 O ATOM 224 CB GLU A 16 1.115 18.413 0.053 1.00 0.00 C ATOM 225 CG GLU A 16 2.085 19.549 0.459 1.00 0.00 C ATOM 226 CD GLU A 16 1.806 20.884 -0.239 1.00 0.00 C ATOM 227 OE1 GLU A 16 0.626 21.180 -0.529 1.00 0.00 O ATOM 228 OE2 GLU A 16 2.766 21.641 -0.503 1.00 0.00 O ATOM 0 H GLU A 16 0.915 17.916 2.518 1.00 0.00 H new ATOM 0 HA GLU A 16 0.753 16.314 0.110 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.137 18.319 -1.033 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.104 18.716 0.326 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.026 19.695 1.538 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.106 19.239 0.234 1.00 0.00 H new ATOM 235 N GLU A 17 3.765 17.238 1.251 1.00 0.00 N ATOM 236 CA GLU A 17 5.226 16.959 1.187 1.00 0.00 C ATOM 237 C GLU A 17 5.474 15.518 1.711 1.00 0.00 C ATOM 238 O GLU A 17 6.340 14.800 1.197 1.00 0.00 O ATOM 239 CB GLU A 17 6.050 18.034 1.955 1.00 0.00 C ATOM 240 CG GLU A 17 7.586 17.847 1.978 1.00 0.00 C ATOM 241 CD GLU A 17 8.213 18.010 3.366 1.00 0.00 C ATOM 242 OE1 GLU A 17 7.648 18.748 4.203 1.00 0.00 O ATOM 243 OE2 GLU A 17 9.277 17.405 3.624 1.00 0.00 O ATOM 0 H GLU A 17 3.513 17.987 1.896 1.00 0.00 H new ATOM 0 HA GLU A 17 5.572 17.018 0.155 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.832 19.008 1.516 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.695 18.063 2.985 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.827 16.855 1.596 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.040 18.569 1.299 1.00 0.00 H new ATOM 250 N MET A 18 4.682 15.103 2.717 1.00 0.00 N ATOM 251 CA MET A 18 4.827 13.775 3.370 1.00 0.00 C ATOM 252 C MET A 18 4.569 12.678 2.301 1.00 0.00 C ATOM 253 O MET A 18 5.211 11.621 2.313 1.00 0.00 O ATOM 254 CB MET A 18 3.874 13.646 4.590 1.00 0.00 C ATOM 255 CG MET A 18 3.693 12.223 5.152 1.00 0.00 C ATOM 256 SD MET A 18 5.078 11.793 6.231 1.00 0.00 S ATOM 257 CE MET A 18 4.429 10.341 7.083 1.00 0.00 C ATOM 0 H MET A 18 3.927 15.669 3.103 1.00 0.00 H new ATOM 0 HA MET A 18 5.836 13.656 3.764 1.00 0.00 H new ATOM 0 HB2 MET A 18 4.248 14.287 5.389 1.00 0.00 H new ATOM 0 HB3 MET A 18 2.895 14.031 4.305 1.00 0.00 H new ATOM 0 HG2 MET A 18 2.757 12.161 5.708 1.00 0.00 H new ATOM 0 HG3 MET A 18 3.626 11.507 4.333 1.00 0.00 H new ATOM 0 HE1 MET A 18 4.646 10.417 8.148 1.00 0.00 H new ATOM 0 HE2 MET A 18 3.351 10.284 6.935 1.00 0.00 H new ATOM 0 HE3 MET A 18 4.898 9.443 6.681 1.00 0.00 H new ATOM 267 N ILE A 19 3.623 12.951 1.382 1.00 0.00 N ATOM 268 CA ILE A 19 3.184 11.976 0.347 1.00 0.00 C ATOM 269 C ILE A 19 4.419 11.714 -0.559 1.00 0.00 C ATOM 270 O ILE A 19 4.712 10.563 -0.905 1.00 0.00 O ATOM 271 CB ILE A 19 1.904 12.467 -0.428 1.00 0.00 C ATOM 272 CG1 ILE A 19 0.591 12.389 0.416 1.00 0.00 C ATOM 273 CG2 ILE A 19 1.718 11.706 -1.769 1.00 0.00 C ATOM 274 CD1 ILE A 19 0.689 11.610 1.738 1.00 0.00 C ATOM 0 H ILE A 19 3.139 13.848 1.330 1.00 0.00 H new ATOM 0 HA ILE A 19 2.858 11.037 0.794 1.00 0.00 H new ATOM 0 HB ILE A 19 2.086 13.521 -0.637 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.264 13.405 0.638 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.185 11.931 -0.197 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.825 12.073 -2.275 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.588 11.871 -2.405 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.611 10.640 -1.570 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.279 11.621 2.239 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.980 10.580 1.533 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.436 12.076 2.381 1.00 0.00 H new ATOM 286 N ALA A 20 5.113 12.795 -0.959 1.00 0.00 N ATOM 287 CA ALA A 20 6.250 12.721 -1.916 1.00 0.00 C ATOM 288 C ALA A 20 7.327 11.733 -1.390 1.00 0.00 C ATOM 289 O ALA A 20 7.948 11.002 -2.171 1.00 0.00 O ATOM 290 CB ALA A 20 6.818 14.138 -2.124 1.00 0.00 C ATOM 0 H ALA A 20 4.910 13.741 -0.635 1.00 0.00 H new ATOM 0 HA ALA A 20 5.911 12.342 -2.880 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.652 14.096 -2.824 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.040 14.787 -2.526 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.164 14.535 -1.170 1.00 0.00 H new ATOM 296 N GLU A 21 7.550 11.744 -0.063 1.00 0.00 N ATOM 297 CA GLU A 21 8.622 10.943 0.587 1.00 0.00 C ATOM 298 C GLU A 21 8.193 9.450 0.598 1.00 0.00 C ATOM 299 O GLU A 21 9.027 8.553 0.431 1.00 0.00 O ATOM 300 CB GLU A 21 8.942 11.497 2.006 1.00 0.00 C ATOM 301 CG GLU A 21 9.966 10.701 2.850 1.00 0.00 C ATOM 302 CD GLU A 21 10.781 11.565 3.818 1.00 0.00 C ATOM 303 OE1 GLU A 21 10.251 12.582 4.316 1.00 0.00 O ATOM 304 OE2 GLU A 21 11.957 11.230 4.083 1.00 0.00 O ATOM 0 H GLU A 21 7.001 12.302 0.591 1.00 0.00 H new ATOM 0 HA GLU A 21 9.551 11.021 0.022 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.311 12.517 1.898 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.009 11.553 2.567 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.437 9.937 3.419 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.650 10.182 2.178 1.00 0.00 H new ATOM 311 N PHE A 22 6.887 9.207 0.825 1.00 0.00 N ATOM 312 CA PHE A 22 6.322 7.833 0.896 1.00 0.00 C ATOM 313 C PHE A 22 6.643 7.094 -0.432 1.00 0.00 C ATOM 314 O PHE A 22 7.186 5.984 -0.420 1.00 0.00 O ATOM 315 CB PHE A 22 4.795 7.891 1.196 1.00 0.00 C ATOM 316 CG PHE A 22 4.405 7.618 2.663 1.00 0.00 C ATOM 317 CD1 PHE A 22 4.904 6.494 3.332 1.00 0.00 C ATOM 318 CD2 PHE A 22 3.524 8.477 3.330 1.00 0.00 C ATOM 319 CE1 PHE A 22 4.521 6.231 4.645 1.00 0.00 C ATOM 320 CE2 PHE A 22 3.139 8.209 4.642 1.00 0.00 C ATOM 321 CZ PHE A 22 3.639 7.087 5.298 1.00 0.00 C ATOM 0 H PHE A 22 6.196 9.944 0.964 1.00 0.00 H new ATOM 0 HA PHE A 22 6.776 7.274 1.714 1.00 0.00 H new ATOM 0 HB2 PHE A 22 4.423 8.876 0.915 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.288 7.165 0.560 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.589 5.828 2.828 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.141 9.352 2.825 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.909 5.362 5.157 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.453 8.871 5.150 1.00 0.00 H new ATOM 0 HZ PHE A 22 3.342 6.881 6.316 1.00 0.00 H new ATOM 331 N LYS A 23 6.304 7.738 -1.566 1.00 0.00 N ATOM 332 CA LYS A 23 6.456 7.139 -2.919 1.00 0.00 C ATOM 333 C LYS A 23 7.939 6.720 -3.108 1.00 0.00 C ATOM 334 O LYS A 23 8.236 5.770 -3.846 1.00 0.00 O ATOM 335 CB LYS A 23 5.992 8.133 -4.024 1.00 0.00 C ATOM 336 CG LYS A 23 7.085 9.019 -4.670 1.00 0.00 C ATOM 337 CD LYS A 23 6.580 10.238 -5.474 1.00 0.00 C ATOM 338 CE LYS A 23 7.483 10.658 -6.650 1.00 0.00 C ATOM 339 NZ LYS A 23 6.741 11.374 -7.704 1.00 0.00 N ATOM 0 H LYS A 23 5.919 8.682 -1.577 1.00 0.00 H new ATOM 0 HA LYS A 23 5.821 6.257 -3.008 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.508 7.560 -4.815 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.234 8.788 -3.595 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.747 9.377 -3.882 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.686 8.396 -5.332 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.586 10.014 -5.860 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.475 11.084 -4.795 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.285 11.295 -6.278 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.952 9.772 -7.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.393 11.634 -8.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.992 10.759 -8.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.315 12.235 -7.305 1.00 0.00 H new ATOM 353 N ALA A 24 8.861 7.441 -2.444 1.00 0.00 N ATOM 354 CA ALA A 24 10.319 7.149 -2.505 1.00 0.00 C ATOM 355 C ALA A 24 10.571 5.632 -2.287 1.00 0.00 C ATOM 356 O ALA A 24 11.163 4.953 -3.137 1.00 0.00 O ATOM 357 CB ALA A 24 11.050 8.008 -1.454 1.00 0.00 C ATOM 0 H ALA A 24 8.627 8.238 -1.852 1.00 0.00 H new ATOM 0 HA ALA A 24 10.711 7.404 -3.490 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.119 7.799 -1.493 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.879 9.064 -1.664 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.670 7.769 -0.461 1.00 0.00 H new ATOM 363 N ALA A 25 10.138 5.120 -1.120 1.00 0.00 N ATOM 364 CA ALA A 25 10.395 3.716 -0.702 1.00 0.00 C ATOM 365 C ALA A 25 9.579 2.737 -1.589 1.00 0.00 C ATOM 366 O ALA A 25 10.007 1.605 -1.842 1.00 0.00 O ATOM 367 CB ALA A 25 10.048 3.562 0.792 1.00 0.00 C ATOM 0 H ALA A 25 9.603 5.659 -0.439 1.00 0.00 H new ATOM 0 HA ALA A 25 11.449 3.472 -0.835 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.234 2.535 1.105 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.667 4.239 1.381 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.997 3.804 0.948 1.00 0.00 H new ATOM 373 N PHE A 26 8.387 3.184 -2.028 1.00 0.00 N ATOM 374 CA PHE A 26 7.504 2.397 -2.930 1.00 0.00 C ATOM 375 C PHE A 26 8.276 2.061 -4.235 1.00 0.00 C ATOM 376 O PHE A 26 8.043 1.014 -4.854 1.00 0.00 O ATOM 377 CB PHE A 26 6.185 3.180 -3.200 1.00 0.00 C ATOM 378 CG PHE A 26 5.067 2.370 -3.888 1.00 0.00 C ATOM 379 CD1 PHE A 26 5.298 1.054 -4.305 1.00 0.00 C ATOM 380 CD2 PHE A 26 3.801 2.936 -4.078 1.00 0.00 C ATOM 381 CE1 PHE A 26 4.292 0.334 -4.945 1.00 0.00 C ATOM 382 CE2 PHE A 26 2.789 2.205 -4.695 1.00 0.00 C ATOM 383 CZ PHE A 26 3.043 0.914 -5.152 1.00 0.00 C ATOM 0 H PHE A 26 8.005 4.095 -1.773 1.00 0.00 H new ATOM 0 HA PHE A 26 7.222 1.455 -2.460 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.806 3.558 -2.251 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.417 4.047 -3.819 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.260 0.595 -4.130 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.608 3.945 -3.744 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.481 -0.675 -5.281 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.808 2.639 -4.819 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.271 0.362 -5.667 1.00 0.00 H new ATOM 393 N ASP A 27 9.176 2.968 -4.656 1.00 0.00 N ATOM 394 CA ASP A 27 9.913 2.852 -5.943 1.00 0.00 C ATOM 395 C ASP A 27 11.063 1.816 -5.790 1.00 0.00 C ATOM 396 O ASP A 27 11.491 1.215 -6.785 1.00 0.00 O ATOM 397 CB ASP A 27 10.424 4.238 -6.435 1.00 0.00 C ATOM 398 CG ASP A 27 9.445 5.052 -7.298 1.00 0.00 C ATOM 399 OD1 ASP A 27 8.645 5.831 -6.734 1.00 0.00 O ATOM 400 OD2 ASP A 27 9.476 4.917 -8.541 1.00 0.00 O ATOM 0 H ASP A 27 9.418 3.802 -4.121 1.00 0.00 H new ATOM 0 HA ASP A 27 9.232 2.492 -6.714 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.691 4.835 -5.563 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.339 4.083 -7.007 1.00 0.00 H new ATOM 405 N MET A 28 11.573 1.648 -4.555 1.00 0.00 N ATOM 406 CA MET A 28 12.704 0.726 -4.258 1.00 0.00 C ATOM 407 C MET A 28 12.455 -0.622 -4.988 1.00 0.00 C ATOM 408 O MET A 28 13.335 -1.126 -5.697 1.00 0.00 O ATOM 409 CB MET A 28 12.891 0.529 -2.725 1.00 0.00 C ATOM 410 CG MET A 28 14.348 0.435 -2.234 1.00 0.00 C ATOM 411 SD MET A 28 14.935 -1.271 -2.339 1.00 0.00 S ATOM 412 CE MET A 28 14.946 -1.752 -0.600 1.00 0.00 C ATOM 0 H MET A 28 11.220 2.141 -3.734 1.00 0.00 H new ATOM 0 HA MET A 28 13.633 1.162 -4.624 1.00 0.00 H new ATOM 0 HB2 MET A 28 12.407 1.358 -2.209 1.00 0.00 H new ATOM 0 HB3 MET A 28 12.368 -0.380 -2.428 1.00 0.00 H new ATOM 0 HG2 MET A 28 14.985 1.084 -2.836 1.00 0.00 H new ATOM 0 HG3 MET A 28 14.416 0.788 -1.205 1.00 0.00 H new ATOM 0 HE1 MET A 28 15.287 -2.783 -0.510 1.00 0.00 H new ATOM 0 HE2 MET A 28 15.618 -1.097 -0.046 1.00 0.00 H new ATOM 0 HE3 MET A 28 13.939 -1.666 -0.192 1.00 0.00 H new ATOM 422 N PHE A 29 11.245 -1.186 -4.812 1.00 0.00 N ATOM 423 CA PHE A 29 10.857 -2.480 -5.433 1.00 0.00 C ATOM 424 C PHE A 29 10.212 -2.170 -6.811 1.00 0.00 C ATOM 425 O PHE A 29 10.424 -2.900 -7.786 1.00 0.00 O ATOM 426 CB PHE A 29 9.879 -3.291 -4.529 1.00 0.00 C ATOM 427 CG PHE A 29 10.393 -3.637 -3.116 1.00 0.00 C ATOM 428 CD1 PHE A 29 11.768 -3.700 -2.861 1.00 0.00 C ATOM 429 CD2 PHE A 29 9.492 -3.887 -2.074 1.00 0.00 C ATOM 430 CE1 PHE A 29 12.233 -3.992 -1.581 1.00 0.00 C ATOM 431 CE2 PHE A 29 9.960 -4.182 -0.795 1.00 0.00 C ATOM 432 CZ PHE A 29 11.329 -4.234 -0.550 1.00 0.00 C ATOM 0 H PHE A 29 10.510 -0.767 -4.242 1.00 0.00 H new ATOM 0 HA PHE A 29 11.743 -3.103 -5.558 1.00 0.00 H new ATOM 0 HB2 PHE A 29 8.954 -2.724 -4.429 1.00 0.00 H new ATOM 0 HB3 PHE A 29 9.629 -4.220 -5.041 1.00 0.00 H new ATOM 0 HD1 PHE A 29 12.472 -3.521 -3.661 1.00 0.00 H new ATOM 0 HD2 PHE A 29 8.429 -3.851 -2.262 1.00 0.00 H new ATOM 0 HE1 PHE A 29 13.295 -4.031 -1.388 1.00 0.00 H new ATOM 0 HE2 PHE A 29 9.260 -4.370 0.006 1.00 0.00 H new ATOM 0 HZ PHE A 29 11.691 -4.462 0.442 1.00 0.00 H new ATOM 442 N ASP A 30 9.451 -1.062 -6.878 1.00 0.00 N ATOM 443 CA ASP A 30 8.754 -0.629 -8.118 1.00 0.00 C ATOM 444 C ASP A 30 9.754 0.168 -8.999 1.00 0.00 C ATOM 445 O ASP A 30 9.787 1.404 -8.955 1.00 0.00 O ATOM 446 CB ASP A 30 7.461 0.178 -7.799 1.00 0.00 C ATOM 447 CG ASP A 30 6.369 0.161 -8.882 1.00 0.00 C ATOM 448 OD1 ASP A 30 6.210 -0.875 -9.564 1.00 0.00 O ATOM 449 OD2 ASP A 30 5.664 1.181 -9.047 1.00 0.00 O ATOM 0 H ASP A 30 9.298 -0.441 -6.084 1.00 0.00 H new ATOM 0 HA ASP A 30 8.420 -1.504 -8.675 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.034 -0.210 -6.874 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.741 1.214 -7.610 1.00 0.00 H new ATOM 454 N ALA A 31 10.557 -0.557 -9.801 1.00 0.00 N ATOM 455 CA ALA A 31 11.577 0.053 -10.695 1.00 0.00 C ATOM 456 C ALA A 31 10.903 0.567 -11.996 1.00 0.00 C ATOM 457 O ALA A 31 10.680 1.771 -12.163 1.00 0.00 O ATOM 458 CB ALA A 31 12.678 -0.985 -10.989 1.00 0.00 C ATOM 0 H ALA A 31 10.523 -1.575 -9.852 1.00 0.00 H new ATOM 0 HA ALA A 31 12.040 0.911 -10.208 1.00 0.00 H new ATOM 0 HB1 ALA A 31 13.429 -0.543 -11.644 1.00 0.00 H new ATOM 0 HB2 ALA A 31 13.147 -1.292 -10.054 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.237 -1.855 -11.477 1.00 0.00 H new ATOM 464 N ASP A 32 10.559 -0.374 -12.897 1.00 0.00 N ATOM 465 CA ASP A 32 9.872 -0.070 -14.180 1.00 0.00 C ATOM 466 C ASP A 32 8.584 -0.933 -14.271 1.00 0.00 C ATOM 467 O ASP A 32 8.231 -1.433 -15.345 1.00 0.00 O ATOM 468 CB ASP A 32 10.817 -0.272 -15.400 1.00 0.00 C ATOM 469 CG ASP A 32 10.327 0.306 -16.739 1.00 0.00 C ATOM 470 OD1 ASP A 32 10.545 1.511 -16.993 1.00 0.00 O ATOM 471 OD2 ASP A 32 9.730 -0.446 -17.541 1.00 0.00 O ATOM 0 H ASP A 32 10.747 -1.367 -12.761 1.00 0.00 H new ATOM 0 HA ASP A 32 9.588 0.982 -14.204 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.782 0.178 -15.165 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.987 -1.341 -15.529 1.00 0.00 H new ATOM 476 N GLY A 33 7.907 -1.123 -13.122 1.00 0.00 N ATOM 477 CA GLY A 33 6.675 -1.948 -13.038 1.00 0.00 C ATOM 478 C GLY A 33 5.541 -1.318 -13.887 1.00 0.00 C ATOM 479 O GLY A 33 5.273 -1.752 -15.015 1.00 0.00 O ATOM 0 H GLY A 33 8.191 -0.715 -12.231 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.882 -2.959 -13.390 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.356 -2.031 -11.999 1.00 0.00 H new ATOM 483 N GLY A 34 4.897 -0.266 -13.342 1.00 0.00 N ATOM 484 CA GLY A 34 3.813 0.463 -14.047 1.00 0.00 C ATOM 485 C GLY A 34 3.019 1.357 -13.063 1.00 0.00 C ATOM 486 O GLY A 34 2.481 2.404 -13.445 1.00 0.00 O ATOM 0 H GLY A 34 5.107 0.101 -12.414 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.238 1.077 -14.841 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.139 -0.250 -14.522 1.00 0.00 H new ATOM 490 N GLY A 35 2.925 0.912 -11.794 1.00 0.00 N ATOM 491 CA GLY A 35 2.162 1.632 -10.744 1.00 0.00 C ATOM 492 C GLY A 35 2.001 0.753 -9.478 1.00 0.00 C ATOM 493 O GLY A 35 2.073 1.252 -8.348 1.00 0.00 O ATOM 0 H GLY A 35 3.369 0.054 -11.466 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.676 2.558 -10.486 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.180 1.908 -11.127 1.00 0.00 H new ATOM 497 N ASP A 36 1.780 -0.558 -9.689 1.00 0.00 N ATOM 498 CA ASP A 36 1.491 -1.524 -8.597 1.00 0.00 C ATOM 499 C ASP A 36 2.663 -2.539 -8.501 1.00 0.00 C ATOM 500 O ASP A 36 3.515 -2.606 -9.396 1.00 0.00 O ATOM 501 CB ASP A 36 0.109 -2.213 -8.802 1.00 0.00 C ATOM 502 CG ASP A 36 0.131 -3.581 -9.503 1.00 0.00 C ATOM 503 OD1 ASP A 36 0.114 -3.622 -10.754 1.00 0.00 O ATOM 504 OD2 ASP A 36 0.171 -4.619 -8.805 1.00 0.00 O ATOM 0 H ASP A 36 1.795 -0.983 -10.616 1.00 0.00 H new ATOM 0 HA ASP A 36 1.418 -0.997 -7.646 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.361 -2.335 -7.826 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.526 -1.542 -9.380 1.00 0.00 H new ATOM 509 N ILE A 37 2.707 -3.301 -7.392 1.00 0.00 N ATOM 510 CA ILE A 37 3.758 -4.321 -7.129 1.00 0.00 C ATOM 511 C ILE A 37 3.025 -5.567 -6.559 1.00 0.00 C ATOM 512 O ILE A 37 1.791 -5.646 -6.602 1.00 0.00 O ATOM 513 CB ILE A 37 4.909 -3.766 -6.208 1.00 0.00 C ATOM 514 CG1 ILE A 37 4.412 -3.291 -4.804 1.00 0.00 C ATOM 515 CG2 ILE A 37 5.703 -2.629 -6.903 1.00 0.00 C ATOM 516 CD1 ILE A 37 5.313 -3.658 -3.614 1.00 0.00 C ATOM 0 H ILE A 37 2.015 -3.232 -6.646 1.00 0.00 H new ATOM 0 HA ILE A 37 4.285 -4.599 -8.042 1.00 0.00 H new ATOM 0 HB ILE A 37 5.574 -4.614 -6.041 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.298 -2.207 -4.828 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.422 -3.712 -4.629 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.488 -2.273 -6.236 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.152 -3.007 -7.821 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.028 -1.807 -7.141 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.871 -3.279 -2.693 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.409 -4.742 -3.551 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.299 -3.214 -3.753 1.00 0.00 H new ATOM 528 N SER A 38 3.796 -6.519 -6.001 1.00 0.00 N ATOM 529 CA SER A 38 3.239 -7.738 -5.357 1.00 0.00 C ATOM 530 C SER A 38 2.884 -7.435 -3.876 1.00 0.00 C ATOM 531 O SER A 38 3.528 -6.602 -3.228 1.00 0.00 O ATOM 532 CB SER A 38 4.249 -8.900 -5.494 1.00 0.00 C ATOM 533 OG SER A 38 3.614 -10.093 -5.943 1.00 0.00 O ATOM 0 H SER A 38 4.815 -6.472 -5.980 1.00 0.00 H new ATOM 0 HA SER A 38 2.318 -8.041 -5.855 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.035 -8.619 -6.195 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.729 -9.082 -4.532 1.00 0.00 H new ATOM 0 HG SER A 38 4.279 -10.808 -6.021 1.00 0.00 H new ATOM 539 N THR A 39 1.851 -8.126 -3.359 1.00 0.00 N ATOM 540 CA THR A 39 1.367 -7.966 -1.963 1.00 0.00 C ATOM 541 C THR A 39 2.183 -8.869 -0.996 1.00 0.00 C ATOM 542 O THR A 39 1.756 -9.079 0.153 1.00 0.00 O ATOM 543 CB THR A 39 -0.169 -8.234 -1.859 1.00 0.00 C ATOM 544 OG1 THR A 39 -0.502 -9.487 -2.453 1.00 0.00 O ATOM 545 CG2 THR A 39 -1.068 -7.156 -2.492 1.00 0.00 C ATOM 0 H THR A 39 1.323 -8.815 -3.895 1.00 0.00 H new ATOM 0 HA THR A 39 1.526 -6.931 -1.661 1.00 0.00 H new ATOM 0 HB THR A 39 -0.367 -8.226 -0.787 1.00 0.00 H new ATOM 0 HG1 THR A 39 -1.467 -9.639 -2.377 1.00 0.00 H new ATOM 0 HG21 THR A 39 -2.114 -7.435 -2.367 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.887 -6.199 -2.004 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.840 -7.070 -3.554 1.00 0.00 H new ATOM 553 N LYS A 40 3.321 -9.423 -1.450 1.00 0.00 N ATOM 554 CA LYS A 40 4.128 -10.390 -0.660 1.00 0.00 C ATOM 555 C LYS A 40 5.118 -9.586 0.227 1.00 0.00 C ATOM 556 O LYS A 40 5.447 -10.000 1.344 1.00 0.00 O ATOM 557 CB LYS A 40 4.870 -11.387 -1.598 1.00 0.00 C ATOM 558 CG LYS A 40 4.363 -12.849 -1.594 1.00 0.00 C ATOM 559 CD LYS A 40 4.459 -13.603 -2.939 1.00 0.00 C ATOM 560 CE LYS A 40 5.824 -13.490 -3.646 1.00 0.00 C ATOM 561 NZ LYS A 40 6.122 -14.662 -4.489 1.00 0.00 N ATOM 0 H LYS A 40 3.712 -9.219 -2.370 1.00 0.00 H new ATOM 0 HA LYS A 40 3.480 -10.989 -0.021 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.807 -11.007 -2.618 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.925 -11.391 -1.324 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.928 -13.406 -0.847 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.321 -12.851 -1.273 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.242 -14.657 -2.765 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.686 -13.224 -3.608 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.837 -12.591 -4.262 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.609 -13.376 -2.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.050 -14.537 -4.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.137 -15.519 -3.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.390 -14.758 -5.221 1.00 0.00 H new ATOM 575 N GLU A 41 5.604 -8.449 -0.306 1.00 0.00 N ATOM 576 CA GLU A 41 6.577 -7.571 0.396 1.00 0.00 C ATOM 577 C GLU A 41 5.792 -6.485 1.180 1.00 0.00 C ATOM 578 O GLU A 41 6.250 -6.015 2.227 1.00 0.00 O ATOM 579 CB GLU A 41 7.609 -6.980 -0.608 1.00 0.00 C ATOM 580 CG GLU A 41 7.921 -7.827 -1.866 1.00 0.00 C ATOM 581 CD GLU A 41 9.207 -7.417 -2.590 1.00 0.00 C ATOM 582 OE1 GLU A 41 10.302 -7.856 -2.174 1.00 0.00 O ATOM 583 OE2 GLU A 41 9.127 -6.658 -3.582 1.00 0.00 O ATOM 0 H GLU A 41 5.339 -8.109 -1.230 1.00 0.00 H new ATOM 0 HA GLU A 41 7.161 -8.145 1.115 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.245 -6.006 -0.936 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.543 -6.808 -0.074 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.998 -8.875 -1.576 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.085 -7.749 -2.561 1.00 0.00 H new ATOM 590 N LEU A 42 4.620 -6.099 0.650 1.00 0.00 N ATOM 591 CA LEU A 42 3.697 -5.145 1.330 1.00 0.00 C ATOM 592 C LEU A 42 3.607 -5.559 2.824 1.00 0.00 C ATOM 593 O LEU A 42 2.984 -6.567 3.175 1.00 0.00 O ATOM 594 CB LEU A 42 2.300 -5.119 0.640 1.00 0.00 C ATOM 595 CG LEU A 42 1.394 -3.882 0.915 1.00 0.00 C ATOM 596 CD1 LEU A 42 2.095 -2.557 0.553 1.00 0.00 C ATOM 597 CD2 LEU A 42 0.050 -3.986 0.166 1.00 0.00 C ATOM 0 H LEU A 42 4.278 -6.429 -0.252 1.00 0.00 H new ATOM 0 HA LEU A 42 4.081 -4.127 1.258 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.453 -5.193 -0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.755 -6.012 0.946 1.00 0.00 H new ATOM 0 HG LEU A 42 1.197 -3.879 1.987 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.426 -1.722 0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.003 -2.451 1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.353 -2.559 -0.506 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.556 -3.106 0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.235 -4.045 -0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.480 -4.880 0.493 1.00 0.00 H new ATOM 609 N GLY A 43 4.275 -4.779 3.691 1.00 0.00 N ATOM 610 CA GLY A 43 4.438 -5.101 5.135 1.00 0.00 C ATOM 611 C GLY A 43 5.949 -4.948 5.484 1.00 0.00 C ATOM 612 O GLY A 43 6.338 -4.030 6.213 1.00 0.00 O ATOM 0 H GLY A 43 4.721 -3.903 3.418 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.834 -4.431 5.747 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.098 -6.116 5.342 1.00 0.00 H new ATOM 616 N THR A 44 6.769 -5.850 4.918 1.00 0.00 N ATOM 617 CA THR A 44 8.253 -5.770 5.021 1.00 0.00 C ATOM 618 C THR A 44 8.694 -4.304 4.758 1.00 0.00 C ATOM 619 O THR A 44 9.663 -3.820 5.352 1.00 0.00 O ATOM 620 CB THR A 44 8.969 -6.783 4.074 1.00 0.00 C ATOM 621 OG1 THR A 44 8.959 -8.093 4.636 1.00 0.00 O ATOM 622 CG2 THR A 44 10.427 -6.432 3.720 1.00 0.00 C ATOM 0 H THR A 44 6.436 -6.650 4.380 1.00 0.00 H new ATOM 0 HA THR A 44 8.555 -6.057 6.028 1.00 0.00 H new ATOM 0 HB THR A 44 8.393 -6.733 3.150 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.411 -8.714 4.027 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.835 -7.196 3.058 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.457 -5.465 3.219 1.00 0.00 H new ATOM 0 HG23 THR A 44 11.022 -6.387 4.632 1.00 0.00 H new ATOM 630 N VAL A 45 7.982 -3.627 3.835 1.00 0.00 N ATOM 631 CA VAL A 45 8.331 -2.255 3.378 1.00 0.00 C ATOM 632 C VAL A 45 8.228 -1.314 4.611 1.00 0.00 C ATOM 633 O VAL A 45 9.152 -0.540 4.891 1.00 0.00 O ATOM 634 CB VAL A 45 7.454 -1.799 2.159 1.00 0.00 C ATOM 635 CG1 VAL A 45 7.906 -0.466 1.512 1.00 0.00 C ATOM 636 CG2 VAL A 45 7.374 -2.870 1.044 1.00 0.00 C ATOM 0 H VAL A 45 7.151 -4.009 3.383 1.00 0.00 H new ATOM 0 HA VAL A 45 9.351 -2.224 2.994 1.00 0.00 H new ATOM 0 HB VAL A 45 6.470 -1.649 2.604 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.247 -0.224 0.678 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.861 0.332 2.253 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.929 -0.566 1.149 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.755 -2.499 0.227 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.376 -3.083 0.672 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.935 -3.783 1.447 1.00 0.00 H new ATOM 646 N MET A 46 7.100 -1.399 5.339 1.00 0.00 N ATOM 647 CA MET A 46 6.816 -0.516 6.503 1.00 0.00 C ATOM 648 C MET A 46 7.967 -0.678 7.533 1.00 0.00 C ATOM 649 O MET A 46 8.341 0.283 8.216 1.00 0.00 O ATOM 650 CB MET A 46 5.425 -0.837 7.118 1.00 0.00 C ATOM 651 CG MET A 46 4.209 -0.508 6.232 1.00 0.00 C ATOM 652 SD MET A 46 2.811 -1.570 6.663 1.00 0.00 S ATOM 653 CE MET A 46 2.966 -1.653 8.459 1.00 0.00 C ATOM 0 H MET A 46 6.360 -2.074 5.146 1.00 0.00 H new ATOM 0 HA MET A 46 6.773 0.525 6.184 1.00 0.00 H new ATOM 0 HB2 MET A 46 5.394 -1.898 7.365 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.327 -0.288 8.055 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.932 0.539 6.358 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.468 -0.645 5.182 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.029 -2.007 8.889 1.00 0.00 H new ATOM 0 HE2 MET A 46 3.770 -2.340 8.723 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.193 -0.662 8.851 1.00 0.00 H new ATOM 663 N ARG A 47 8.515 -1.903 7.634 1.00 0.00 N ATOM 664 CA ARG A 47 9.547 -2.255 8.646 1.00 0.00 C ATOM 665 C ARG A 47 10.858 -1.496 8.302 1.00 0.00 C ATOM 666 O ARG A 47 11.495 -0.909 9.186 1.00 0.00 O ATOM 667 CB ARG A 47 9.777 -3.792 8.681 1.00 0.00 C ATOM 668 CG ARG A 47 11.152 -4.234 9.235 1.00 0.00 C ATOM 669 CD ARG A 47 11.346 -5.763 9.207 1.00 0.00 C ATOM 670 NE ARG A 47 12.144 -6.241 10.364 1.00 0.00 N ATOM 671 CZ ARG A 47 13.484 -6.393 10.378 1.00 0.00 C ATOM 672 NH1 ARG A 47 14.129 -6.746 9.277 1.00 0.00 N ATOM 673 NH2 ARG A 47 14.203 -6.194 11.479 1.00 0.00 N ATOM 0 H ARG A 47 8.261 -2.679 7.022 1.00 0.00 H new ATOM 0 HA ARG A 47 9.210 -1.957 9.639 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.994 -4.248 9.287 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.666 -4.184 7.670 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.942 -3.762 8.651 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.257 -3.878 10.260 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.372 -6.253 9.211 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.843 -6.049 8.280 1.00 0.00 H new ATOM 0 HE ARG A 47 11.637 -6.473 11.218 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.612 -6.905 8.412 1.00 0.00 H new ATOM 0 HH12 ARG A 47 15.143 -6.859 9.294 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.742 -5.918 12.346 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.215 -6.317 11.456 1.00 0.00 H new ATOM 687 N MET A 48 11.226 -1.494 7.004 1.00 0.00 N ATOM 688 CA MET A 48 12.486 -0.869 6.523 1.00 0.00 C ATOM 689 C MET A 48 12.298 0.668 6.401 1.00 0.00 C ATOM 690 O MET A 48 13.218 1.355 5.923 1.00 0.00 O ATOM 691 CB MET A 48 12.940 -1.504 5.175 1.00 0.00 C ATOM 692 CG MET A 48 14.456 -1.482 4.903 1.00 0.00 C ATOM 693 SD MET A 48 14.782 -1.725 3.142 1.00 0.00 S ATOM 694 CE MET A 48 16.468 -1.098 3.003 1.00 0.00 C ATOM 0 H MET A 48 10.668 -1.919 6.263 1.00 0.00 H new ATOM 0 HA MET A 48 13.278 -1.058 7.248 1.00 0.00 H new ATOM 0 HB2 MET A 48 12.600 -2.539 5.150 1.00 0.00 H new ATOM 0 HB3 MET A 48 12.436 -0.983 4.361 1.00 0.00 H new ATOM 0 HG2 MET A 48 14.877 -0.531 5.230 1.00 0.00 H new ATOM 0 HG3 MET A 48 14.947 -2.264 5.482 1.00 0.00 H new ATOM 0 HE1 MET A 48 16.804 -1.184 1.970 1.00 0.00 H new ATOM 0 HE2 MET A 48 16.493 -0.051 3.307 1.00 0.00 H new ATOM 0 HE3 MET A 48 17.127 -1.679 3.648 1.00 0.00 H new ATOM 704 N LEU A 49 11.143 1.210 6.824 1.00 0.00 N ATOM 705 CA LEU A 49 10.891 2.676 6.865 1.00 0.00 C ATOM 706 C LEU A 49 11.221 3.182 8.295 1.00 0.00 C ATOM 707 O LEU A 49 11.740 4.289 8.478 1.00 0.00 O ATOM 708 CB LEU A 49 9.421 2.988 6.453 1.00 0.00 C ATOM 709 CG LEU A 49 9.109 3.062 4.930 1.00 0.00 C ATOM 710 CD1 LEU A 49 7.619 2.787 4.641 1.00 0.00 C ATOM 711 CD2 LEU A 49 9.520 4.416 4.317 1.00 0.00 C ATOM 0 H LEU A 49 10.353 0.652 7.149 1.00 0.00 H new ATOM 0 HA LEU A 49 11.528 3.197 6.151 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.778 2.226 6.893 1.00 0.00 H new ATOM 0 HB3 LEU A 49 9.139 3.940 6.902 1.00 0.00 H new ATOM 0 HG LEU A 49 9.706 2.281 4.459 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.439 2.847 3.568 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.357 1.791 4.997 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.006 3.528 5.154 1.00 0.00 H new ATOM 0 HD21 LEU A 49 9.283 4.421 3.253 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.977 5.220 4.813 1.00 0.00 H new ATOM 0 HD23 LEU A 49 10.591 4.566 4.451 1.00 0.00 H new ATOM 723 N GLY A 50 10.938 2.337 9.308 1.00 0.00 N ATOM 724 CA GLY A 50 11.290 2.632 10.720 1.00 0.00 C ATOM 725 C GLY A 50 10.145 2.191 11.670 1.00 0.00 C ATOM 726 O GLY A 50 9.500 3.028 12.313 1.00 0.00 O ATOM 0 H GLY A 50 10.466 1.442 9.178 1.00 0.00 H new ATOM 0 HA2 GLY A 50 12.211 2.114 10.987 1.00 0.00 H new ATOM 0 HA3 GLY A 50 11.478 3.699 10.839 1.00 0.00 H new ATOM 730 N GLN A 51 9.931 0.866 11.764 1.00 0.00 N ATOM 731 CA GLN A 51 8.940 0.257 12.693 1.00 0.00 C ATOM 732 C GLN A 51 9.645 -0.893 13.462 1.00 0.00 C ATOM 733 O GLN A 51 10.872 -0.874 13.635 1.00 0.00 O ATOM 734 CB GLN A 51 7.688 -0.227 11.905 1.00 0.00 C ATOM 735 CG GLN A 51 6.314 0.163 12.503 1.00 0.00 C ATOM 736 CD GLN A 51 5.969 1.655 12.356 1.00 0.00 C ATOM 737 OE1 GLN A 51 6.851 2.511 12.291 1.00 0.00 O ATOM 738 NE2 GLN A 51 4.691 2.000 12.304 1.00 0.00 N ATOM 0 H GLN A 51 10.436 0.181 11.202 1.00 0.00 H new ATOM 0 HA GLN A 51 8.581 0.989 13.416 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.746 0.170 10.891 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.732 -1.313 11.825 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.537 -0.429 12.018 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.302 -0.100 13.561 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.967 1.284 12.359 1.00 0.00 H new ATOM 0 HE22 GLN A 51 4.431 2.982 12.209 1.00 0.00 H new ATOM 747 N ASN A 52 8.863 -1.883 13.928 1.00 0.00 N ATOM 748 CA ASN A 52 9.383 -3.037 14.713 1.00 0.00 C ATOM 749 C ASN A 52 8.397 -4.254 14.600 1.00 0.00 C ATOM 750 O ASN A 52 8.001 -4.783 15.645 1.00 0.00 O ATOM 751 CB ASN A 52 9.588 -2.583 16.184 1.00 0.00 C ATOM 752 CG ASN A 52 10.801 -3.221 16.895 1.00 0.00 C ATOM 753 OD1 ASN A 52 11.786 -3.599 16.260 1.00 0.00 O ATOM 754 ND2 ASN A 52 10.756 -3.356 18.212 1.00 0.00 N ATOM 0 H ASN A 52 7.855 -1.914 13.776 1.00 0.00 H new ATOM 0 HA ASN A 52 10.343 -3.369 14.317 1.00 0.00 H new ATOM 0 HB2 ASN A 52 9.703 -1.499 16.202 1.00 0.00 H new ATOM 0 HB3 ASN A 52 8.687 -2.818 16.751 1.00 0.00 H new ATOM 0 HD21 ASN A 52 11.542 -3.776 18.709 1.00 0.00 H new ATOM 0 HD22 ASN A 52 9.936 -3.040 18.729 1.00 0.00 H new ATOM 761 N PRO A 53 7.944 -4.698 13.390 1.00 0.00 N ATOM 762 CA PRO A 53 6.898 -5.752 13.246 1.00 0.00 C ATOM 763 C PRO A 53 7.493 -7.155 12.961 1.00 0.00 C ATOM 764 O PRO A 53 8.718 -7.335 12.951 1.00 0.00 O ATOM 765 CB PRO A 53 6.068 -5.138 12.091 1.00 0.00 C ATOM 766 CG PRO A 53 7.108 -4.488 11.169 1.00 0.00 C ATOM 767 CD PRO A 53 8.309 -4.146 12.066 1.00 0.00 C ATOM 0 HA PRO A 53 6.309 -5.964 14.139 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.495 -5.902 11.565 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.354 -4.403 12.463 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.399 -5.168 10.368 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.706 -3.592 10.696 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.228 -4.593 11.688 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.475 -3.070 12.115 1.00 0.00 H new ATOM 775 N THR A 54 6.611 -8.137 12.700 1.00 0.00 N ATOM 776 CA THR A 54 7.010 -9.531 12.369 1.00 0.00 C ATOM 777 C THR A 54 6.744 -9.796 10.862 1.00 0.00 C ATOM 778 O THR A 54 5.953 -9.089 10.227 1.00 0.00 O ATOM 779 CB THR A 54 6.303 -10.568 13.297 1.00 0.00 C ATOM 780 OG1 THR A 54 5.673 -9.912 14.395 1.00 0.00 O ATOM 781 CG2 THR A 54 7.216 -11.671 13.865 1.00 0.00 C ATOM 0 H THR A 54 5.601 -7.994 12.711 1.00 0.00 H new ATOM 0 HA THR A 54 8.077 -9.653 12.552 1.00 0.00 H new ATOM 0 HB THR A 54 5.580 -11.057 12.645 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.234 -10.577 14.965 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.630 -12.339 14.496 1.00 0.00 H new ATOM 0 HG22 THR A 54 7.655 -12.239 13.044 1.00 0.00 H new ATOM 0 HG23 THR A 54 8.010 -11.217 14.457 1.00 0.00 H new ATOM 789 N LYS A 55 7.417 -10.822 10.308 1.00 0.00 N ATOM 790 CA LYS A 55 7.232 -11.249 8.896 1.00 0.00 C ATOM 791 C LYS A 55 5.900 -12.041 8.798 1.00 0.00 C ATOM 792 O LYS A 55 5.207 -11.990 7.775 1.00 0.00 O ATOM 793 CB LYS A 55 8.445 -12.096 8.411 1.00 0.00 C ATOM 794 CG LYS A 55 8.471 -13.581 8.845 1.00 0.00 C ATOM 795 CD LYS A 55 9.525 -14.471 8.150 1.00 0.00 C ATOM 796 CE LYS A 55 9.746 -15.847 8.810 1.00 0.00 C ATOM 797 NZ LYS A 55 9.478 -15.827 10.260 1.00 0.00 N ATOM 0 H LYS A 55 8.102 -11.380 10.818 1.00 0.00 H new ATOM 0 HA LYS A 55 7.180 -10.378 8.243 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.473 -12.059 7.322 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.358 -11.620 8.770 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.642 -13.622 9.921 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.485 -14.010 8.663 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.224 -14.625 7.114 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.475 -13.937 8.130 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.098 -16.583 8.334 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.773 -16.168 8.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.846 -16.698 10.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.946 -15.003 10.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.453 -15.766 10.423 1.00 0.00 H new ATOM 811 N GLU A 56 5.559 -12.768 9.878 1.00 0.00 N ATOM 812 CA GLU A 56 4.308 -13.569 9.957 1.00 0.00 C ATOM 813 C GLU A 56 3.094 -12.603 9.897 1.00 0.00 C ATOM 814 O GLU A 56 2.034 -12.956 9.363 1.00 0.00 O ATOM 815 CB GLU A 56 4.310 -14.469 11.226 1.00 0.00 C ATOM 816 CG GLU A 56 3.570 -15.825 11.120 1.00 0.00 C ATOM 817 CD GLU A 56 4.029 -16.867 12.144 1.00 0.00 C ATOM 818 OE1 GLU A 56 5.199 -16.810 12.583 1.00 0.00 O ATOM 819 OE2 GLU A 56 3.223 -17.751 12.511 1.00 0.00 O ATOM 0 H GLU A 56 6.134 -12.822 10.719 1.00 0.00 H new ATOM 0 HA GLU A 56 4.237 -14.251 9.109 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.346 -14.668 11.500 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.866 -13.903 12.045 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.501 -15.654 11.245 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.713 -16.228 10.117 1.00 0.00 H new ATOM 826 N GLU A 57 3.257 -11.397 10.476 1.00 0.00 N ATOM 827 CA GLU A 57 2.210 -10.340 10.448 1.00 0.00 C ATOM 828 C GLU A 57 1.931 -9.962 8.968 1.00 0.00 C ATOM 829 O GLU A 57 0.789 -9.664 8.597 1.00 0.00 O ATOM 830 CB GLU A 57 2.623 -9.121 11.322 1.00 0.00 C ATOM 831 CG GLU A 57 2.980 -9.409 12.800 1.00 0.00 C ATOM 832 CD GLU A 57 1.762 -9.605 13.708 1.00 0.00 C ATOM 833 OE1 GLU A 57 0.653 -9.161 13.338 1.00 0.00 O ATOM 834 OE2 GLU A 57 1.910 -10.201 14.798 1.00 0.00 O ATOM 0 H GLU A 57 4.105 -11.124 10.972 1.00 0.00 H new ATOM 0 HA GLU A 57 1.283 -10.712 10.885 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.482 -8.642 10.852 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.807 -8.399 11.305 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.602 -10.303 12.845 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.579 -8.584 13.186 1.00 0.00 H new ATOM 841 N LEU A 58 2.988 -9.981 8.135 1.00 0.00 N ATOM 842 CA LEU A 58 2.885 -9.649 6.689 1.00 0.00 C ATOM 843 C LEU A 58 1.845 -10.607 6.046 1.00 0.00 C ATOM 844 O LEU A 58 1.096 -10.212 5.145 1.00 0.00 O ATOM 845 CB LEU A 58 4.282 -9.749 6.005 1.00 0.00 C ATOM 846 CG LEU A 58 4.445 -9.069 4.614 1.00 0.00 C ATOM 847 CD1 LEU A 58 5.852 -9.288 4.022 1.00 0.00 C ATOM 848 CD2 LEU A 58 3.374 -9.555 3.616 1.00 0.00 C ATOM 0 H LEU A 58 3.932 -10.224 8.435 1.00 0.00 H new ATOM 0 HA LEU A 58 2.549 -8.621 6.553 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.020 -9.317 6.681 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.529 -10.805 5.896 1.00 0.00 H new ATOM 0 HG LEU A 58 4.309 -8.000 4.778 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.919 -8.796 3.052 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.599 -8.867 4.695 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.033 -10.356 3.901 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.519 -9.059 2.656 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.462 -10.633 3.484 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.383 -9.317 4.001 1.00 0.00 H new ATOM 860 N ASP A 59 1.804 -11.859 6.539 1.00 0.00 N ATOM 861 CA ASP A 59 0.933 -12.928 5.981 1.00 0.00 C ATOM 862 C ASP A 59 -0.549 -12.573 6.277 1.00 0.00 C ATOM 863 O ASP A 59 -1.433 -12.811 5.444 1.00 0.00 O ATOM 864 CB ASP A 59 1.333 -14.332 6.521 1.00 0.00 C ATOM 865 CG ASP A 59 2.708 -14.860 6.080 1.00 0.00 C ATOM 866 OD1 ASP A 59 3.730 -14.465 6.684 1.00 0.00 O ATOM 867 OD2 ASP A 59 2.771 -15.664 5.123 1.00 0.00 O ATOM 0 H ASP A 59 2.369 -12.164 7.332 1.00 0.00 H new ATOM 0 HA ASP A 59 1.066 -12.982 4.900 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.311 -14.300 7.610 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.574 -15.049 6.208 1.00 0.00 H new ATOM 872 N ALA A 60 -0.809 -12.031 7.482 1.00 0.00 N ATOM 873 CA ALA A 60 -2.166 -11.574 7.887 1.00 0.00 C ATOM 874 C ALA A 60 -2.684 -10.503 6.887 1.00 0.00 C ATOM 875 O ALA A 60 -3.829 -10.566 6.425 1.00 0.00 O ATOM 876 CB ALA A 60 -2.109 -11.035 9.330 1.00 0.00 C ATOM 0 H ALA A 60 -0.098 -11.895 8.200 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.868 -12.408 7.864 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.101 -10.699 9.632 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.774 -11.826 10.001 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.412 -10.199 9.379 1.00 0.00 H new ATOM 882 N ILE A 61 -1.824 -9.516 6.582 1.00 0.00 N ATOM 883 CA ILE A 61 -2.133 -8.403 5.641 1.00 0.00 C ATOM 884 C ILE A 61 -2.716 -9.062 4.362 1.00 0.00 C ATOM 885 O ILE A 61 -3.563 -8.471 3.682 1.00 0.00 O ATOM 886 CB ILE A 61 -0.892 -7.470 5.372 1.00 0.00 C ATOM 887 CG1 ILE A 61 -0.804 -6.249 6.344 1.00 0.00 C ATOM 888 CG2 ILE A 61 -0.852 -6.979 3.900 1.00 0.00 C ATOM 889 CD1 ILE A 61 -0.328 -6.563 7.772 1.00 0.00 C ATOM 0 H ILE A 61 -0.886 -9.459 6.979 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.865 -7.718 6.070 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.020 -8.095 5.565 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.129 -5.511 5.910 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.788 -5.784 6.403 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.018 -6.338 3.754 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.787 -7.838 3.232 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.759 -6.416 3.680 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.305 -5.644 8.358 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.013 -7.272 8.236 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.672 -6.995 7.735 1.00 0.00 H new ATOM 901 N ILE A 62 -2.226 -10.271 4.026 1.00 0.00 N ATOM 902 CA ILE A 62 -2.586 -10.989 2.773 1.00 0.00 C ATOM 903 C ILE A 62 -4.070 -11.425 2.919 1.00 0.00 C ATOM 904 O ILE A 62 -4.870 -11.255 1.989 1.00 0.00 O ATOM 905 CB ILE A 62 -1.594 -12.170 2.456 1.00 0.00 C ATOM 906 CG1 ILE A 62 -1.118 -12.208 0.968 1.00 0.00 C ATOM 907 CG2 ILE A 62 -2.193 -13.546 2.856 1.00 0.00 C ATOM 908 CD1 ILE A 62 -0.039 -11.183 0.583 1.00 0.00 C ATOM 0 H ILE A 62 -1.568 -10.784 4.612 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.487 -10.340 1.903 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.713 -11.972 3.067 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.736 -13.206 0.754 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.985 -12.053 0.325 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.479 -14.336 2.622 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.405 -13.554 3.925 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.116 -13.716 2.302 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.215 -11.300 -0.471 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.417 -10.175 0.755 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.851 -11.346 1.191 1.00 0.00 H new ATOM 920 N GLU A 63 -4.416 -12.019 4.077 1.00 0.00 N ATOM 921 CA GLU A 63 -5.772 -12.577 4.331 1.00 0.00 C ATOM 922 C GLU A 63 -6.825 -11.439 4.243 1.00 0.00 C ATOM 923 O GLU A 63 -7.994 -11.693 3.922 1.00 0.00 O ATOM 924 CB GLU A 63 -5.811 -13.333 5.692 1.00 0.00 C ATOM 925 CG GLU A 63 -7.194 -13.469 6.373 1.00 0.00 C ATOM 926 CD GLU A 63 -7.173 -14.288 7.668 1.00 0.00 C ATOM 927 OE1 GLU A 63 -7.273 -15.533 7.599 1.00 0.00 O ATOM 928 OE2 GLU A 63 -7.060 -13.689 8.761 1.00 0.00 O ATOM 0 H GLU A 63 -3.774 -12.129 4.862 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.018 -13.313 3.566 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.408 -14.334 5.537 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.140 -12.823 6.384 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.580 -12.473 6.591 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.888 -13.933 5.673 1.00 0.00 H new ATOM 935 N GLU A 64 -6.411 -10.197 4.553 1.00 0.00 N ATOM 936 CA GLU A 64 -7.328 -9.028 4.646 1.00 0.00 C ATOM 937 C GLU A 64 -7.623 -8.466 3.228 1.00 0.00 C ATOM 938 O GLU A 64 -8.783 -8.201 2.874 1.00 0.00 O ATOM 939 CB GLU A 64 -6.734 -7.953 5.607 1.00 0.00 C ATOM 940 CG GLU A 64 -7.088 -8.091 7.107 1.00 0.00 C ATOM 941 CD GLU A 64 -8.545 -7.756 7.440 1.00 0.00 C ATOM 942 OE1 GLU A 64 -8.850 -6.571 7.697 1.00 0.00 O ATOM 943 OE2 GLU A 64 -9.391 -8.678 7.449 1.00 0.00 O ATOM 0 H GLU A 64 -5.436 -9.968 4.747 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.282 -9.342 5.070 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.648 -7.973 5.510 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.067 -6.972 5.268 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.879 -9.112 7.426 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.435 -7.437 7.685 1.00 0.00 H new ATOM 950 N VAL A 65 -6.559 -8.257 2.430 1.00 0.00 N ATOM 951 CA VAL A 65 -6.648 -7.605 1.095 1.00 0.00 C ATOM 952 C VAL A 65 -7.091 -8.684 0.070 1.00 0.00 C ATOM 953 O VAL A 65 -8.142 -8.554 -0.575 1.00 0.00 O ATOM 954 CB VAL A 65 -5.310 -6.877 0.710 1.00 0.00 C ATOM 955 CG1 VAL A 65 -4.466 -7.615 -0.359 1.00 0.00 C ATOM 956 CG2 VAL A 65 -5.537 -5.426 0.223 1.00 0.00 C ATOM 0 H VAL A 65 -5.611 -8.533 2.686 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.392 -6.809 1.105 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.751 -6.875 1.646 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.561 -7.044 -0.566 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.195 -8.604 0.010 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.048 -7.717 -1.275 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.578 -4.973 -0.029 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.177 -5.434 -0.659 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.015 -4.848 1.013 1.00 0.00 H new ATOM 966 N ASP A 66 -6.269 -9.737 -0.090 1.00 0.00 N ATOM 967 CA ASP A 66 -6.577 -10.882 -0.989 1.00 0.00 C ATOM 968 C ASP A 66 -7.331 -11.970 -0.177 1.00 0.00 C ATOM 969 O ASP A 66 -6.881 -13.118 -0.086 1.00 0.00 O ATOM 970 CB ASP A 66 -5.293 -11.431 -1.676 1.00 0.00 C ATOM 971 CG ASP A 66 -5.468 -11.985 -3.101 1.00 0.00 C ATOM 972 OD1 ASP A 66 -6.225 -11.384 -3.895 1.00 0.00 O ATOM 973 OD2 ASP A 66 -4.844 -13.018 -3.430 1.00 0.00 O ATOM 0 H ASP A 66 -5.375 -9.825 0.394 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.223 -10.546 -1.800 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.553 -10.631 -1.708 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.881 -12.222 -1.049 1.00 0.00 H new ATOM 978 N GLU A 67 -8.484 -11.583 0.404 1.00 0.00 N ATOM 979 CA GLU A 67 -9.389 -12.520 1.122 1.00 0.00 C ATOM 980 C GLU A 67 -10.073 -13.443 0.077 1.00 0.00 C ATOM 981 O GLU A 67 -10.274 -14.638 0.321 1.00 0.00 O ATOM 982 CB GLU A 67 -10.407 -11.744 2.008 1.00 0.00 C ATOM 983 CG GLU A 67 -11.411 -12.593 2.824 1.00 0.00 C ATOM 984 CD GLU A 67 -12.706 -11.856 3.178 1.00 0.00 C ATOM 985 OE1 GLU A 67 -12.678 -10.612 3.307 1.00 0.00 O ATOM 986 OE2 GLU A 67 -13.758 -12.517 3.326 1.00 0.00 O ATOM 0 H GLU A 67 -8.818 -10.619 0.393 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.820 -13.146 1.809 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.846 -11.120 2.704 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.975 -11.072 1.364 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.659 -13.490 2.256 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.929 -12.922 3.745 1.00 0.00 H new ATOM 993 N ASP A 68 -10.439 -12.861 -1.081 1.00 0.00 N ATOM 994 CA ASP A 68 -11.154 -13.584 -2.167 1.00 0.00 C ATOM 995 C ASP A 68 -10.250 -13.608 -3.428 1.00 0.00 C ATOM 996 O ASP A 68 -9.821 -14.674 -3.887 1.00 0.00 O ATOM 997 CB ASP A 68 -12.554 -12.963 -2.444 1.00 0.00 C ATOM 998 CG ASP A 68 -13.105 -13.145 -3.869 1.00 0.00 C ATOM 999 OD1 ASP A 68 -13.303 -14.303 -4.299 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -13.345 -12.130 -4.559 1.00 0.00 O ATOM 0 H ASP A 68 -10.252 -11.882 -1.296 1.00 0.00 H new ATOM 0 HA ASP A 68 -11.347 -14.612 -1.859 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -13.267 -13.397 -1.743 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.505 -11.896 -2.229 1.00 0.00 H new ATOM 1005 N GLY A 69 -9.990 -12.416 -4.004 1.00 0.00 N ATOM 1006 CA GLY A 69 -9.187 -12.285 -5.246 1.00 0.00 C ATOM 1007 C GLY A 69 -8.563 -10.868 -5.339 1.00 0.00 C ATOM 1008 O GLY A 69 -8.709 -10.051 -4.421 1.00 0.00 O ATOM 0 H GLY A 69 -10.323 -11.527 -3.631 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -8.399 -13.038 -5.258 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -9.818 -12.469 -6.116 1.00 0.00 H new ATOM 1012 N SER A 70 -7.869 -10.597 -6.461 1.00 0.00 N ATOM 1013 CA SER A 70 -7.134 -9.323 -6.680 1.00 0.00 C ATOM 1014 C SER A 70 -5.834 -9.312 -5.833 1.00 0.00 C ATOM 1015 O SER A 70 -5.818 -8.835 -4.692 1.00 0.00 O ATOM 1016 CB SER A 70 -8.062 -8.131 -6.351 1.00 0.00 C ATOM 1017 OG SER A 70 -7.726 -6.982 -7.122 1.00 0.00 O ATOM 0 H SER A 70 -7.798 -11.249 -7.243 1.00 0.00 H new ATOM 0 HA SER A 70 -6.838 -9.232 -7.725 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.098 -8.410 -6.544 1.00 0.00 H new ATOM 0 HB3 SER A 70 -7.989 -7.893 -5.290 1.00 0.00 H new ATOM 0 HG SER A 70 -8.331 -6.246 -6.893 1.00 0.00 H new ATOM 1023 N GLY A 71 -4.742 -9.861 -6.404 1.00 0.00 N ATOM 1024 CA GLY A 71 -3.430 -9.940 -5.714 1.00 0.00 C ATOM 1025 C GLY A 71 -2.519 -8.761 -6.143 1.00 0.00 C ATOM 1026 O GLY A 71 -1.298 -8.921 -6.272 1.00 0.00 O ATOM 0 H GLY A 71 -4.739 -10.258 -7.344 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.578 -9.918 -4.634 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.945 -10.887 -5.950 1.00 0.00 H new ATOM 1030 N THR A 72 -3.134 -7.583 -6.361 1.00 0.00 N ATOM 1031 CA THR A 72 -2.415 -6.342 -6.754 1.00 0.00 C ATOM 1032 C THR A 72 -2.796 -5.218 -5.751 1.00 0.00 C ATOM 1033 O THR A 72 -3.923 -5.183 -5.242 1.00 0.00 O ATOM 1034 CB THR A 72 -2.626 -5.973 -8.257 1.00 0.00 C ATOM 1035 OG1 THR A 72 -4.012 -6.056 -8.573 1.00 0.00 O ATOM 1036 CG2 THR A 72 -1.843 -6.788 -9.306 1.00 0.00 C ATOM 0 H THR A 72 -4.142 -7.458 -6.271 1.00 0.00 H new ATOM 0 HA THR A 72 -1.338 -6.498 -6.689 1.00 0.00 H new ATOM 0 HB THR A 72 -2.221 -4.964 -8.331 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.147 -5.823 -9.515 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.086 -6.425 -10.305 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.773 -6.676 -9.129 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.116 -7.840 -9.227 1.00 0.00 H new ATOM 1044 N ILE A 73 -1.840 -4.313 -5.468 1.00 0.00 N ATOM 1045 CA ILE A 73 -2.040 -3.186 -4.517 1.00 0.00 C ATOM 1046 C ILE A 73 -1.284 -1.942 -5.056 1.00 0.00 C ATOM 1047 O ILE A 73 -0.129 -2.046 -5.492 1.00 0.00 O ATOM 1048 CB ILE A 73 -1.700 -3.572 -3.029 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -2.495 -2.700 -2.011 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -0.184 -3.604 -2.698 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -1.851 -1.354 -1.638 1.00 0.00 C ATOM 0 H ILE A 73 -0.910 -4.336 -5.886 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.099 -2.932 -4.465 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.030 -4.606 -2.925 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.485 -2.506 -2.423 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.637 -3.279 -1.098 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.046 -3.879 -1.652 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.312 -4.337 -3.335 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.248 -2.619 -2.874 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.488 -0.831 -0.925 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.873 -1.530 -1.190 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.735 -0.745 -2.535 1.00 0.00 H new ATOM 1063 N ASP A 74 -1.952 -0.772 -5.052 1.00 0.00 N ATOM 1064 CA ASP A 74 -1.399 0.493 -5.604 1.00 0.00 C ATOM 1065 C ASP A 74 -1.033 1.444 -4.430 1.00 0.00 C ATOM 1066 O ASP A 74 -1.130 1.082 -3.250 1.00 0.00 O ATOM 1067 CB ASP A 74 -2.381 1.150 -6.619 1.00 0.00 C ATOM 1068 CG ASP A 74 -3.741 1.595 -6.053 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -4.148 1.085 -4.986 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -4.408 2.448 -6.679 1.00 0.00 O ATOM 0 H ASP A 74 -2.891 -0.671 -4.667 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.491 0.277 -6.166 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.891 2.019 -7.057 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.561 0.443 -7.429 1.00 0.00 H new ATOM 1075 N PHE A 75 -0.598 2.672 -4.774 1.00 0.00 N ATOM 1076 CA PHE A 75 -0.104 3.669 -3.785 1.00 0.00 C ATOM 1077 C PHE A 75 -1.307 4.272 -3.009 1.00 0.00 C ATOM 1078 O PHE A 75 -1.129 4.806 -1.904 1.00 0.00 O ATOM 1079 CB PHE A 75 0.744 4.757 -4.510 1.00 0.00 C ATOM 1080 CG PHE A 75 1.396 5.808 -3.589 1.00 0.00 C ATOM 1081 CD1 PHE A 75 1.808 5.463 -2.297 1.00 0.00 C ATOM 1082 CD2 PHE A 75 1.609 7.113 -4.051 1.00 0.00 C ATOM 1083 CE1 PHE A 75 2.474 6.393 -1.501 1.00 0.00 C ATOM 1084 CE2 PHE A 75 2.292 8.035 -3.259 1.00 0.00 C ATOM 1085 CZ PHE A 75 2.680 7.689 -1.968 1.00 0.00 C ATOM 0 H PHE A 75 -0.576 3.006 -5.738 1.00 0.00 H new ATOM 0 HA PHE A 75 0.547 3.187 -3.056 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.529 4.261 -5.081 1.00 0.00 H new ATOM 0 HB3 PHE A 75 0.106 5.273 -5.227 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.609 4.472 -1.915 1.00 0.00 H new ATOM 0 HD2 PHE A 75 1.243 7.406 -5.024 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.830 6.109 -0.522 1.00 0.00 H new ATOM 0 HE2 PHE A 75 2.520 9.017 -3.647 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.141 8.426 -1.328 1.00 0.00 H new ATOM 1095 N GLU A 76 -2.517 4.197 -3.593 1.00 0.00 N ATOM 1096 CA GLU A 76 -3.762 4.703 -2.954 1.00 0.00 C ATOM 1097 C GLU A 76 -4.091 3.812 -1.724 1.00 0.00 C ATOM 1098 O GLU A 76 -4.033 4.273 -0.578 1.00 0.00 O ATOM 1099 CB GLU A 76 -4.923 4.768 -3.987 1.00 0.00 C ATOM 1100 CG GLU A 76 -4.844 5.880 -5.060 1.00 0.00 C ATOM 1101 CD GLU A 76 -4.224 7.188 -4.558 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -2.978 7.304 -4.551 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -4.980 8.104 -4.164 1.00 0.00 O ATOM 0 H GLU A 76 -2.667 3.788 -4.515 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.620 5.724 -2.600 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.977 3.807 -4.498 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.858 4.891 -3.440 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.261 5.514 -5.905 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.848 6.085 -5.431 1.00 0.00 H new ATOM 1110 N GLU A 77 -4.449 2.540 -1.991 1.00 0.00 N ATOM 1111 CA GLU A 77 -4.702 1.529 -0.928 1.00 0.00 C ATOM 1112 C GLU A 77 -3.472 1.473 0.020 1.00 0.00 C ATOM 1113 O GLU A 77 -3.608 1.118 1.199 1.00 0.00 O ATOM 1114 CB GLU A 77 -5.055 0.143 -1.544 1.00 0.00 C ATOM 1115 CG GLU A 77 -6.558 -0.154 -1.769 1.00 0.00 C ATOM 1116 CD GLU A 77 -6.847 -1.575 -2.263 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -6.081 -2.503 -1.920 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -7.844 -1.770 -2.993 1.00 0.00 O ATOM 0 H GLU A 77 -4.572 2.181 -2.938 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.570 1.821 -0.338 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.544 0.056 -2.503 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.648 -0.632 -0.894 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.094 0.010 -0.834 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.954 0.558 -2.493 1.00 0.00 H new ATOM 1125 N PHE A 78 -2.278 1.794 -0.511 1.00 0.00 N ATOM 1126 CA PHE A 78 -1.004 1.726 0.256 1.00 0.00 C ATOM 1127 C PHE A 78 -1.083 2.712 1.453 1.00 0.00 C ATOM 1128 O PHE A 78 -0.673 2.377 2.572 1.00 0.00 O ATOM 1129 CB PHE A 78 0.206 2.016 -0.683 1.00 0.00 C ATOM 1130 CG PHE A 78 1.565 2.203 0.021 1.00 0.00 C ATOM 1131 CD1 PHE A 78 2.346 1.091 0.360 1.00 0.00 C ATOM 1132 CD2 PHE A 78 2.047 3.487 0.303 1.00 0.00 C ATOM 1133 CE1 PHE A 78 3.589 1.262 0.964 1.00 0.00 C ATOM 1134 CE2 PHE A 78 3.300 3.657 0.887 1.00 0.00 C ATOM 1135 CZ PHE A 78 4.072 2.545 1.214 1.00 0.00 C ATOM 0 H PHE A 78 -2.161 2.106 -1.475 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.853 0.724 0.657 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.296 1.195 -1.395 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.011 2.915 -1.259 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.982 0.096 0.152 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.444 4.351 0.066 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.179 0.400 1.239 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.673 4.651 1.086 1.00 0.00 H new ATOM 0 HZ PHE A 78 5.046 2.677 1.662 1.00 0.00 H new ATOM 1145 N LEU A 79 -1.634 3.916 1.208 1.00 0.00 N ATOM 1146 CA LEU A 79 -1.813 4.956 2.257 1.00 0.00 C ATOM 1147 C LEU A 79 -2.898 4.466 3.256 1.00 0.00 C ATOM 1148 O LEU A 79 -2.836 4.773 4.453 1.00 0.00 O ATOM 1149 CB LEU A 79 -2.185 6.323 1.610 1.00 0.00 C ATOM 1150 CG LEU A 79 -1.348 6.793 0.385 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -1.207 8.328 0.349 1.00 0.00 C ATOM 1152 CD2 LEU A 79 0.047 6.137 0.348 1.00 0.00 C ATOM 0 H LEU A 79 -1.968 4.201 0.287 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.882 5.112 2.802 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.230 6.276 1.304 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.112 7.090 2.381 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.897 6.472 -0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.617 8.619 -0.520 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.196 8.783 0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.709 8.669 1.257 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.594 6.495 -0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.596 6.397 1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.062 5.054 0.289 1.00 0.00 H new ATOM 1164 N VAL A 80 -3.902 3.732 2.742 1.00 0.00 N ATOM 1165 CA VAL A 80 -5.079 3.284 3.536 1.00 0.00 C ATOM 1166 C VAL A 80 -4.582 2.293 4.623 1.00 0.00 C ATOM 1167 O VAL A 80 -5.156 2.220 5.718 1.00 0.00 O ATOM 1168 CB VAL A 80 -6.211 2.695 2.619 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -7.426 2.172 3.422 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -6.733 3.679 1.543 1.00 0.00 C ATOM 0 H VAL A 80 -3.928 3.429 1.768 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.545 4.134 4.034 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.715 1.865 2.116 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.174 1.778 2.734 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.102 1.381 4.098 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.859 2.989 4.000 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.511 3.194 0.954 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.143 4.565 2.028 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.912 3.972 0.889 1.00 0.00 H new ATOM 1180 N MET A 81 -3.533 1.514 4.300 1.00 0.00 N ATOM 1181 CA MET A 81 -3.016 0.424 5.174 1.00 0.00 C ATOM 1182 C MET A 81 -2.198 1.056 6.333 1.00 0.00 C ATOM 1183 O MET A 81 -2.294 0.613 7.485 1.00 0.00 O ATOM 1184 CB MET A 81 -2.186 -0.599 4.349 1.00 0.00 C ATOM 1185 CG MET A 81 -0.745 -0.887 4.809 1.00 0.00 C ATOM 1186 SD MET A 81 -0.682 -2.415 5.771 1.00 0.00 S ATOM 1187 CE MET A 81 -2.048 -2.176 6.926 1.00 0.00 C ATOM 0 H MET A 81 -3.014 1.616 3.428 1.00 0.00 H new ATOM 0 HA MET A 81 -3.846 -0.135 5.606 1.00 0.00 H new ATOM 0 HB2 MET A 81 -2.730 -1.543 4.340 1.00 0.00 H new ATOM 0 HB3 MET A 81 -2.145 -0.245 3.319 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.090 -0.969 3.942 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.376 -0.056 5.410 1.00 0.00 H new ATOM 0 HE1 MET A 81 -2.264 -3.116 7.434 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.774 -1.420 7.662 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.932 -1.847 6.380 1.00 0.00 H new ATOM 1197 N MET A 82 -1.374 2.069 6.007 1.00 0.00 N ATOM 1198 CA MET A 82 -0.432 2.695 6.974 1.00 0.00 C ATOM 1199 C MET A 82 -1.246 3.503 8.021 1.00 0.00 C ATOM 1200 O MET A 82 -0.837 3.619 9.183 1.00 0.00 O ATOM 1201 CB MET A 82 0.611 3.582 6.237 1.00 0.00 C ATOM 1202 CG MET A 82 1.988 2.939 5.991 1.00 0.00 C ATOM 1203 SD MET A 82 2.900 2.802 7.546 1.00 0.00 S ATOM 1204 CE MET A 82 4.293 3.907 7.242 1.00 0.00 C ATOM 0 H MET A 82 -1.337 2.480 5.074 1.00 0.00 H new ATOM 0 HA MET A 82 0.131 1.920 7.494 1.00 0.00 H new ATOM 0 HB2 MET A 82 0.193 3.877 5.275 1.00 0.00 H new ATOM 0 HB3 MET A 82 0.756 4.495 6.815 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.862 1.952 5.547 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.556 3.539 5.280 1.00 0.00 H new ATOM 0 HE1 MET A 82 5.005 3.829 8.063 1.00 0.00 H new ATOM 0 HE2 MET A 82 4.783 3.627 6.309 1.00 0.00 H new ATOM 0 HE3 MET A 82 3.934 4.934 7.169 1.00 0.00 H new ATOM 1214 N VAL A 83 -2.381 4.080 7.584 1.00 0.00 N ATOM 1215 CA VAL A 83 -3.264 4.907 8.450 1.00 0.00 C ATOM 1216 C VAL A 83 -4.057 3.953 9.384 1.00 0.00 C ATOM 1217 O VAL A 83 -4.266 4.260 10.565 1.00 0.00 O ATOM 1218 CB VAL A 83 -4.178 5.864 7.604 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -5.177 6.664 8.476 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -3.399 6.870 6.721 1.00 0.00 C ATOM 0 H VAL A 83 -2.717 3.991 6.625 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.668 5.577 9.070 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.719 5.179 6.951 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.782 7.308 7.838 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.826 5.972 9.013 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.627 7.275 9.191 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.104 7.493 6.170 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.774 7.501 7.353 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.770 6.325 6.017 1.00 0.00 H new ATOM 1230 N ARG A 84 -4.465 2.787 8.852 1.00 0.00 N ATOM 1231 CA ARG A 84 -5.254 1.771 9.602 1.00 0.00 C ATOM 1232 C ARG A 84 -4.406 1.239 10.789 1.00 0.00 C ATOM 1233 O ARG A 84 -4.934 1.019 11.889 1.00 0.00 O ATOM 1234 CB ARG A 84 -5.686 0.613 8.657 1.00 0.00 C ATOM 1235 CG ARG A 84 -7.132 0.106 8.867 1.00 0.00 C ATOM 1236 CD ARG A 84 -8.192 1.066 8.295 1.00 0.00 C ATOM 1237 NE ARG A 84 -8.529 0.744 6.885 1.00 0.00 N ATOM 1238 CZ ARG A 84 -9.595 0.018 6.487 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -10.058 -0.961 7.248 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -10.178 0.216 5.309 1.00 0.00 N ATOM 0 H ARG A 84 -4.261 2.515 7.890 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.161 2.230 9.996 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -5.580 0.947 7.625 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -5.000 -0.223 8.794 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.241 -0.871 8.396 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.312 -0.033 9.933 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.094 1.015 8.904 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -7.824 2.090 8.355 1.00 0.00 H new ATOM 0 HE ARG A 84 -7.906 1.100 6.160 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.609 -1.170 8.140 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -10.864 -1.507 6.943 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -9.821 0.933 4.677 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -10.982 -0.349 5.037 1.00 0.00 H new ATOM 1254 N GLN A 85 -3.101 1.014 10.550 1.00 0.00 N ATOM 1255 CA GLN A 85 -2.190 0.387 11.544 1.00 0.00 C ATOM 1256 C GLN A 85 -1.801 1.446 12.612 1.00 0.00 C ATOM 1257 O GLN A 85 -1.718 1.137 13.806 1.00 0.00 O ATOM 1258 CB GLN A 85 -0.937 -0.204 10.835 1.00 0.00 C ATOM 1259 CG GLN A 85 -0.532 -1.639 11.249 1.00 0.00 C ATOM 1260 CD GLN A 85 -1.725 -2.585 11.476 1.00 0.00 C ATOM 1261 OE1 GLN A 85 -2.694 -2.582 10.717 1.00 0.00 O ATOM 1262 NE2 GLN A 85 -1.681 -3.411 12.510 1.00 0.00 N ATOM 0 H GLN A 85 -2.644 1.257 9.671 1.00 0.00 H new ATOM 0 HA GLN A 85 -2.696 -0.440 12.043 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -1.115 -0.195 9.760 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -0.092 0.458 11.023 1.00 0.00 H new ATOM 0 HG2 GLN A 85 0.111 -2.061 10.477 1.00 0.00 H new ATOM 0 HG3 GLN A 85 0.058 -1.589 12.164 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -0.873 -3.406 13.133 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -2.455 -4.053 12.683 1.00 0.00 H new ATOM 1271 N MET A 86 -1.537 2.684 12.154 1.00 0.00 N ATOM 1272 CA MET A 86 -1.037 3.785 13.019 1.00 0.00 C ATOM 1273 C MET A 86 -2.001 3.941 14.228 1.00 0.00 C ATOM 1274 O MET A 86 -1.556 3.999 15.381 1.00 0.00 O ATOM 1275 CB MET A 86 -0.889 5.104 12.210 1.00 0.00 C ATOM 1276 CG MET A 86 0.268 6.026 12.640 1.00 0.00 C ATOM 1277 SD MET A 86 -0.378 7.510 13.444 1.00 0.00 S ATOM 1278 CE MET A 86 1.131 8.242 14.109 1.00 0.00 C ATOM 0 H MET A 86 -1.662 2.955 11.179 1.00 0.00 H new ATOM 0 HA MET A 86 -0.042 3.544 13.394 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.755 4.850 11.158 1.00 0.00 H new ATOM 0 HB3 MET A 86 -1.822 5.662 12.287 1.00 0.00 H new ATOM 0 HG2 MET A 86 0.931 5.494 13.322 1.00 0.00 H new ATOM 0 HG3 MET A 86 0.862 6.305 11.770 1.00 0.00 H new ATOM 0 HE1 MET A 86 0.887 9.166 14.633 1.00 0.00 H new ATOM 0 HE2 MET A 86 1.599 7.544 14.803 1.00 0.00 H new ATOM 0 HE3 MET A 86 1.820 8.459 13.293 1.00 0.00 H new ATOM 1288 N LYS A 87 -3.313 4.037 13.938 1.00 0.00 N ATOM 1289 CA LYS A 87 -4.363 4.198 14.980 1.00 0.00 C ATOM 1290 C LYS A 87 -4.340 2.942 15.892 1.00 0.00 C ATOM 1291 O LYS A 87 -4.512 3.047 17.114 1.00 0.00 O ATOM 1292 CB LYS A 87 -5.763 4.417 14.334 1.00 0.00 C ATOM 1293 CG LYS A 87 -5.881 5.580 13.319 1.00 0.00 C ATOM 1294 CD LYS A 87 -7.125 6.485 13.465 1.00 0.00 C ATOM 1295 CE LYS A 87 -7.028 7.839 12.736 1.00 0.00 C ATOM 1296 NZ LYS A 87 -8.191 8.706 12.996 1.00 0.00 N ATOM 0 H LYS A 87 -3.679 4.006 12.987 1.00 0.00 H new ATOM 0 HA LYS A 87 -4.159 5.084 15.582 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.055 3.495 13.832 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.485 4.587 15.133 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.991 6.203 13.406 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -5.879 5.160 12.313 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.995 5.947 13.088 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.300 6.671 14.525 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.119 8.352 13.050 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.942 7.665 11.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.077 9.603 12.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.058 8.231 12.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.261 8.897 14.016 1.00 0.00 H new ATOM 1310 N GLU A 88 -4.127 1.760 15.285 1.00 0.00 N ATOM 1311 CA GLU A 88 -4.077 0.468 16.020 1.00 0.00 C ATOM 1312 C GLU A 88 -5.392 0.307 16.830 1.00 0.00 C ATOM 1313 O GLU A 88 -5.370 0.243 18.065 1.00 0.00 O ATOM 1314 CB GLU A 88 -2.800 0.385 16.906 1.00 0.00 C ATOM 1315 CG GLU A 88 -2.275 -1.032 17.240 1.00 0.00 C ATOM 1316 CD GLU A 88 -1.593 -1.137 18.608 1.00 0.00 C ATOM 1317 OE1 GLU A 88 -1.896 -0.315 19.501 1.00 0.00 O ATOM 1318 OE2 GLU A 88 -0.753 -2.045 18.797 1.00 0.00 O ATOM 0 H GLU A 88 -3.985 1.666 14.279 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.007 -0.366 15.321 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.002 0.934 16.405 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.003 0.902 17.844 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.108 -1.734 17.206 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.568 -1.338 16.469 1.00 0.00 H new ATOM 1325 N ASP A 89 -6.532 0.274 16.115 1.00 0.00 N ATOM 1326 CA ASP A 89 -7.877 0.130 16.733 1.00 0.00 C ATOM 1327 C ASP A 89 -7.851 -1.081 17.705 1.00 0.00 C ATOM 1328 O ASP A 89 -7.222 -2.107 17.421 1.00 0.00 O ATOM 1329 CB ASP A 89 -8.994 0.012 15.657 1.00 0.00 C ATOM 1330 CG ASP A 89 -10.217 0.925 15.848 1.00 0.00 C ATOM 1331 OD1 ASP A 89 -10.588 1.207 17.009 1.00 0.00 O ATOM 1332 OD2 ASP A 89 -10.813 1.357 14.836 1.00 0.00 O ATOM 0 H ASP A 89 -6.554 0.345 15.098 1.00 0.00 H new ATOM 0 HA ASP A 89 -8.117 1.028 17.303 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -8.555 0.226 14.682 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -9.338 -1.022 15.632 1.00 0.00 H new ATOM 1337 N ALA A 90 -8.570 -0.951 18.836 1.00 0.00 N ATOM 1338 CA ALA A 90 -8.727 -2.047 19.828 1.00 0.00 C ATOM 1339 C ALA A 90 -10.075 -1.869 20.554 1.00 0.00 C ATOM 1340 O ALA A 90 -10.209 -2.375 21.711 1.00 0.00 O ATOM 1341 CB ALA A 90 -7.538 -2.072 20.811 1.00 0.00 C ATOM 1342 OXT ALA A 90 -11.017 -1.230 19.992 1.00 0.00 O ATOM 0 H ALA A 90 -9.057 -0.093 19.092 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.729 -3.011 19.320 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.675 -2.882 21.527 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -6.612 -2.229 20.258 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -7.486 -1.122 21.343 1.00 0.00 H new TER 1348 ALA A 90