USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=17 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 46 MET CE :methyl -149:sc= -4.99! (180deg=-8.54!) USER MOD Set 1.2: A 81 MET CE :methyl 160:sc= -10.4! (180deg=-12.2!) USER MOD Set 2.1: A 51 GLN : amide:sc= -8.9! C(o=-9.7!,f=-13!) USER MOD Set 2.2: A 86 MET CE :methyl 175:sc= -0.794 (180deg=-0.591) USER MOD Single : A 1 ALA N :NH3+ -112:sc= 0.0851 (180deg=0) USER MOD Single : A 2 SER OG : rot 24:sc= 0.303! USER MOD Single : A 3 MET CE :methyl 139:sc= -2.09 (180deg=-3.43!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -2.86 K(o=-2.9,f=-7.5!) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0559 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 154:sc= 0.00835 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 138:sc= -0.582 (180deg=-1.67!) USER MOD Single : A 52 ASN : amide:sc= -0.905 K(o=-0.9,f=-3.2!) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.968 USER MOD Single : A 55 LYS NZ :NH3+ -117:sc= -0.0635 (180deg=-0.51) USER MOD Single : A 70 SER OG : rot -19:sc= 0.464 USER MOD Single : A 72 THR OG1 : rot -159:sc= -0.0179 USER MOD Single : A 82 MET CE :methyl -146:sc= -4.18 (180deg=-7.26!) USER MOD Single : A 85 GLN : amide:sc= -0.327 K(o=-0.33,f=-1.3) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 65.609 -4.060 -15.566 1.00 0.00 N ATOM 2 CA ALA A 1 66.117 -5.123 -14.652 1.00 0.00 C ATOM 3 C ALA A 1 64.954 -5.774 -13.899 1.00 0.00 C ATOM 4 O ALA A 1 63.831 -5.313 -13.953 1.00 0.00 O ATOM 5 CB ALA A 1 67.046 -4.397 -13.679 1.00 0.00 C ATOM 0 H1 ALA A 1 65.747 -4.356 -16.553 1.00 0.00 H new ATOM 0 H2 ALA A 1 64.596 -3.905 -15.389 1.00 0.00 H new ATOM 0 H3 ALA A 1 66.129 -3.176 -15.394 1.00 0.00 H new ATOM 0 HA ALA A 1 66.631 -5.919 -15.190 1.00 0.00 H new ATOM 0 HB1 ALA A 1 67.462 -5.113 -12.971 1.00 0.00 H new ATOM 0 HB2 ALA A 1 67.856 -3.923 -14.234 1.00 0.00 H new ATOM 0 HB3 ALA A 1 66.483 -3.636 -13.138 1.00 0.00 H new ATOM 13 N SER A 2 65.214 -6.842 -13.195 1.00 0.00 N ATOM 14 CA SER A 2 64.122 -7.521 -12.439 1.00 0.00 C ATOM 15 C SER A 2 63.876 -6.804 -11.109 1.00 0.00 C ATOM 16 O SER A 2 63.030 -7.196 -10.329 1.00 0.00 O ATOM 17 CB SER A 2 64.633 -8.941 -12.196 1.00 0.00 C ATOM 18 OG SER A 2 64.238 -9.367 -10.898 1.00 0.00 O ATOM 0 H SER A 2 66.134 -7.274 -13.110 1.00 0.00 H new ATOM 0 HA SER A 2 63.177 -7.515 -12.982 1.00 0.00 H new ATOM 0 HB2 SER A 2 64.233 -9.618 -12.951 1.00 0.00 H new ATOM 0 HB3 SER A 2 65.719 -8.969 -12.286 1.00 0.00 H new ATOM 0 HG SER A 2 63.447 -8.862 -10.615 1.00 0.00 H new ATOM 24 N MET A 3 64.608 -5.756 -10.844 1.00 0.00 N ATOM 25 CA MET A 3 64.414 -5.016 -9.565 1.00 0.00 C ATOM 26 C MET A 3 63.093 -4.241 -9.595 1.00 0.00 C ATOM 27 O MET A 3 62.384 -4.167 -8.613 1.00 0.00 O ATOM 28 CB MET A 3 65.600 -4.054 -9.482 1.00 0.00 C ATOM 29 CG MET A 3 66.552 -4.510 -8.375 1.00 0.00 C ATOM 30 SD MET A 3 66.105 -3.698 -6.821 1.00 0.00 S ATOM 31 CE MET A 3 66.117 -5.178 -5.779 1.00 0.00 C ATOM 0 H MET A 3 65.331 -5.381 -11.458 1.00 0.00 H new ATOM 0 HA MET A 3 64.369 -5.683 -8.704 1.00 0.00 H new ATOM 0 HB2 MET A 3 66.124 -4.023 -10.437 1.00 0.00 H new ATOM 0 HB3 MET A 3 65.248 -3.043 -9.279 1.00 0.00 H new ATOM 0 HG2 MET A 3 66.500 -5.593 -8.260 1.00 0.00 H new ATOM 0 HG3 MET A 3 67.580 -4.266 -8.642 1.00 0.00 H new ATOM 0 HE1 MET A 3 66.578 -4.944 -4.820 1.00 0.00 H new ATOM 0 HE2 MET A 3 65.094 -5.517 -5.617 1.00 0.00 H new ATOM 0 HE3 MET A 3 66.686 -5.966 -6.273 1.00 0.00 H new ATOM 41 N THR A 4 62.758 -3.665 -10.717 1.00 0.00 N ATOM 42 CA THR A 4 61.483 -2.897 -10.809 1.00 0.00 C ATOM 43 C THR A 4 60.323 -3.735 -10.268 1.00 0.00 C ATOM 44 O THR A 4 59.300 -3.213 -9.870 1.00 0.00 O ATOM 45 CB THR A 4 61.295 -2.617 -12.300 1.00 0.00 C ATOM 46 OG1 THR A 4 60.136 -1.817 -12.487 1.00 0.00 O ATOM 47 CG2 THR A 4 61.131 -3.939 -13.054 1.00 0.00 C ATOM 0 H THR A 4 63.311 -3.693 -11.574 1.00 0.00 H new ATOM 0 HA THR A 4 61.510 -1.978 -10.224 1.00 0.00 H new ATOM 0 HB THR A 4 62.168 -2.089 -12.683 1.00 0.00 H new ATOM 0 HG1 THR A 4 60.015 -1.635 -13.442 1.00 0.00 H new ATOM 0 HG21 THR A 4 60.997 -3.738 -14.117 1.00 0.00 H new ATOM 0 HG22 THR A 4 62.020 -4.553 -12.910 1.00 0.00 H new ATOM 0 HG23 THR A 4 60.259 -4.470 -12.673 1.00 0.00 H new ATOM 55 N ASP A 5 60.472 -5.032 -10.248 1.00 0.00 N ATOM 56 CA ASP A 5 59.376 -5.901 -9.732 1.00 0.00 C ATOM 57 C ASP A 5 59.483 -6.036 -8.210 1.00 0.00 C ATOM 58 O ASP A 5 58.514 -5.882 -7.494 1.00 0.00 O ATOM 59 CB ASP A 5 59.592 -7.255 -10.408 1.00 0.00 C ATOM 60 CG ASP A 5 58.260 -7.770 -10.956 1.00 0.00 C ATOM 61 OD1 ASP A 5 57.773 -7.193 -11.915 1.00 0.00 O ATOM 62 OD2 ASP A 5 57.750 -8.734 -10.408 1.00 0.00 O ATOM 0 H ASP A 5 61.305 -5.527 -10.567 1.00 0.00 H new ATOM 0 HA ASP A 5 58.388 -5.493 -9.946 1.00 0.00 H new ATOM 0 HB2 ASP A 5 60.317 -7.158 -11.216 1.00 0.00 H new ATOM 0 HB3 ASP A 5 60.004 -7.968 -9.694 1.00 0.00 H new ATOM 67 N GLN A 6 60.655 -6.321 -7.710 1.00 0.00 N ATOM 68 CA GLN A 6 60.823 -6.464 -6.235 1.00 0.00 C ATOM 69 C GLN A 6 60.630 -5.110 -5.549 1.00 0.00 C ATOM 70 O GLN A 6 60.526 -5.024 -4.342 1.00 0.00 O ATOM 71 CB GLN A 6 62.258 -6.958 -6.047 1.00 0.00 C ATOM 72 CG GLN A 6 62.282 -8.074 -5.001 1.00 0.00 C ATOM 73 CD GLN A 6 61.654 -7.570 -3.701 1.00 0.00 C ATOM 74 OE1 GLN A 6 60.452 -7.414 -3.613 1.00 0.00 O ATOM 75 NE2 GLN A 6 62.423 -7.305 -2.679 1.00 0.00 N ATOM 0 H GLN A 6 61.503 -6.461 -8.259 1.00 0.00 H new ATOM 0 HA GLN A 6 60.095 -7.149 -5.800 1.00 0.00 H new ATOM 0 HB2 GLN A 6 62.654 -7.324 -6.994 1.00 0.00 H new ATOM 0 HB3 GLN A 6 62.898 -6.135 -5.730 1.00 0.00 H new ATOM 0 HG2 GLN A 6 61.735 -8.943 -5.368 1.00 0.00 H new ATOM 0 HG3 GLN A 6 63.308 -8.396 -4.821 1.00 0.00 H new ATOM 0 HE21 GLN A 6 63.432 -7.436 -2.752 1.00 0.00 H new ATOM 0 HE22 GLN A 6 62.015 -6.967 -1.807 1.00 0.00 H new ATOM 84 N GLN A 7 60.584 -4.051 -6.310 1.00 0.00 N ATOM 85 CA GLN A 7 60.399 -2.703 -5.704 1.00 0.00 C ATOM 86 C GLN A 7 58.988 -2.574 -5.123 1.00 0.00 C ATOM 87 O GLN A 7 58.800 -2.549 -3.923 1.00 0.00 O ATOM 88 CB GLN A 7 60.597 -1.720 -6.858 1.00 0.00 C ATOM 89 CG GLN A 7 60.280 -0.302 -6.382 1.00 0.00 C ATOM 90 CD GLN A 7 59.740 0.522 -7.553 1.00 0.00 C ATOM 91 OE1 GLN A 7 60.466 0.839 -8.474 1.00 0.00 O ATOM 92 NE2 GLN A 7 58.486 0.884 -7.557 1.00 0.00 N ATOM 0 H GLN A 7 60.667 -4.062 -7.327 1.00 0.00 H new ATOM 0 HA GLN A 7 61.096 -2.517 -4.887 1.00 0.00 H new ATOM 0 HB2 GLN A 7 61.623 -1.772 -7.221 1.00 0.00 H new ATOM 0 HB3 GLN A 7 59.949 -1.988 -7.693 1.00 0.00 H new ATOM 0 HG2 GLN A 7 59.546 -0.333 -5.577 1.00 0.00 H new ATOM 0 HG3 GLN A 7 61.177 0.166 -5.978 1.00 0.00 H new ATOM 0 HE21 GLN A 7 57.876 0.618 -6.784 1.00 0.00 H new ATOM 0 HE22 GLN A 7 58.116 1.433 -8.333 1.00 0.00 H new ATOM 101 N ALA A 8 57.995 -2.493 -5.966 1.00 0.00 N ATOM 102 CA ALA A 8 56.597 -2.365 -5.463 1.00 0.00 C ATOM 103 C ALA A 8 56.324 -3.411 -4.377 1.00 0.00 C ATOM 104 O ALA A 8 55.605 -3.162 -3.430 1.00 0.00 O ATOM 105 CB ALA A 8 55.713 -2.618 -6.684 1.00 0.00 C ATOM 0 H ALA A 8 58.091 -2.510 -6.981 1.00 0.00 H new ATOM 0 HA ALA A 8 56.408 -1.389 -5.016 1.00 0.00 H new ATOM 0 HB1 ALA A 8 54.664 -2.541 -6.396 1.00 0.00 H new ATOM 0 HB2 ALA A 8 55.933 -1.877 -7.453 1.00 0.00 H new ATOM 0 HB3 ALA A 8 55.910 -3.616 -7.075 1.00 0.00 H new ATOM 111 N GLU A 9 56.893 -4.578 -4.508 1.00 0.00 N ATOM 112 CA GLU A 9 56.666 -5.637 -3.483 1.00 0.00 C ATOM 113 C GLU A 9 57.599 -5.428 -2.288 1.00 0.00 C ATOM 114 O GLU A 9 57.316 -5.850 -1.185 1.00 0.00 O ATOM 115 CB GLU A 9 56.991 -6.952 -4.194 1.00 0.00 C ATOM 116 CG GLU A 9 56.229 -8.096 -3.525 1.00 0.00 C ATOM 117 CD GLU A 9 56.957 -8.518 -2.248 1.00 0.00 C ATOM 118 OE1 GLU A 9 58.150 -8.274 -2.161 1.00 0.00 O ATOM 119 OE2 GLU A 9 56.309 -9.076 -1.378 1.00 0.00 O ATOM 0 H GLU A 9 57.505 -4.844 -5.280 1.00 0.00 H new ATOM 0 HA GLU A 9 55.648 -5.624 -3.095 1.00 0.00 H new ATOM 0 HB2 GLU A 9 56.717 -6.886 -5.247 1.00 0.00 H new ATOM 0 HB3 GLU A 9 58.063 -7.143 -4.155 1.00 0.00 H new ATOM 0 HG2 GLU A 9 55.213 -7.781 -3.289 1.00 0.00 H new ATOM 0 HG3 GLU A 9 56.150 -8.942 -4.207 1.00 0.00 H new ATOM 126 N ALA A 10 58.713 -4.780 -2.500 1.00 0.00 N ATOM 127 CA ALA A 10 59.665 -4.546 -1.377 1.00 0.00 C ATOM 128 C ALA A 10 59.023 -3.646 -0.314 1.00 0.00 C ATOM 129 O ALA A 10 59.255 -3.806 0.867 1.00 0.00 O ATOM 130 CB ALA A 10 60.867 -3.853 -2.016 1.00 0.00 C ATOM 0 H ALA A 10 59.004 -4.403 -3.402 1.00 0.00 H new ATOM 0 HA ALA A 10 59.948 -5.472 -0.876 1.00 0.00 H new ATOM 0 HB1 ALA A 10 61.616 -3.646 -1.252 1.00 0.00 H new ATOM 0 HB2 ALA A 10 61.297 -4.501 -2.780 1.00 0.00 H new ATOM 0 HB3 ALA A 10 60.547 -2.917 -2.473 1.00 0.00 H new ATOM 136 N ARG A 11 58.218 -2.702 -0.723 1.00 0.00 N ATOM 137 CA ARG A 11 57.567 -1.798 0.272 1.00 0.00 C ATOM 138 C ARG A 11 56.357 -2.497 0.896 1.00 0.00 C ATOM 139 O ARG A 11 56.109 -2.396 2.081 1.00 0.00 O ATOM 140 CB ARG A 11 57.108 -0.564 -0.516 1.00 0.00 C ATOM 141 CG ARG A 11 58.122 -0.219 -1.610 1.00 0.00 C ATOM 142 CD ARG A 11 57.502 -0.502 -2.980 1.00 0.00 C ATOM 143 NE ARG A 11 56.560 0.630 -3.214 1.00 0.00 N ATOM 144 CZ ARG A 11 55.498 0.453 -3.951 1.00 0.00 C ATOM 145 NH1 ARG A 11 54.447 -0.136 -3.451 1.00 0.00 N ATOM 146 NH2 ARG A 11 55.487 0.867 -5.189 1.00 0.00 N ATOM 0 H ARG A 11 57.983 -2.517 -1.698 1.00 0.00 H new ATOM 0 HA ARG A 11 58.250 -1.529 1.078 1.00 0.00 H new ATOM 0 HB2 ARG A 11 56.132 -0.753 -0.963 1.00 0.00 H new ATOM 0 HB3 ARG A 11 56.991 0.283 0.160 1.00 0.00 H new ATOM 0 HG2 ARG A 11 58.410 0.830 -1.538 1.00 0.00 H new ATOM 0 HG3 ARG A 11 59.030 -0.808 -1.480 1.00 0.00 H new ATOM 0 HD2 ARG A 11 58.265 -0.549 -3.757 1.00 0.00 H new ATOM 0 HD3 ARG A 11 56.980 -1.459 -2.988 1.00 0.00 H new ATOM 0 HE ARG A 11 56.746 1.543 -2.798 1.00 0.00 H new ATOM 0 HH11 ARG A 11 54.455 -0.458 -2.483 1.00 0.00 H new ATOM 0 HH12 ARG A 11 53.617 -0.274 -4.028 1.00 0.00 H new ATOM 0 HH21 ARG A 11 56.308 1.329 -5.580 1.00 0.00 H new ATOM 0 HH22 ARG A 11 54.657 0.729 -5.766 1.00 0.00 H new ATOM 160 N ALA A 12 55.600 -3.202 0.100 1.00 0.00 N ATOM 161 CA ALA A 12 54.401 -3.905 0.634 1.00 0.00 C ATOM 162 C ALA A 12 54.776 -4.754 1.852 1.00 0.00 C ATOM 163 O ALA A 12 53.950 -5.047 2.693 1.00 0.00 O ATOM 164 CB ALA A 12 53.925 -4.795 -0.514 1.00 0.00 C ATOM 0 H ALA A 12 55.762 -3.321 -0.900 1.00 0.00 H new ATOM 0 HA ALA A 12 53.628 -3.210 0.963 1.00 0.00 H new ATOM 0 HB1 ALA A 12 53.041 -5.350 -0.201 1.00 0.00 H new ATOM 0 HB2 ALA A 12 53.679 -4.176 -1.376 1.00 0.00 H new ATOM 0 HB3 ALA A 12 54.716 -5.495 -0.784 1.00 0.00 H new ATOM 170 N PHE A 13 56.016 -5.150 1.955 1.00 0.00 N ATOM 171 CA PHE A 13 56.435 -5.978 3.123 1.00 0.00 C ATOM 172 C PHE A 13 56.021 -5.293 4.427 1.00 0.00 C ATOM 173 O PHE A 13 55.614 -5.936 5.375 1.00 0.00 O ATOM 174 CB PHE A 13 57.958 -6.065 3.021 1.00 0.00 C ATOM 175 CG PHE A 13 58.521 -6.572 4.326 1.00 0.00 C ATOM 176 CD1 PHE A 13 58.005 -7.738 4.905 1.00 0.00 C ATOM 177 CD2 PHE A 13 59.558 -5.876 4.958 1.00 0.00 C ATOM 178 CE1 PHE A 13 58.527 -8.208 6.116 1.00 0.00 C ATOM 179 CE2 PHE A 13 60.080 -6.347 6.169 1.00 0.00 C ATOM 180 CZ PHE A 13 59.565 -7.512 6.748 1.00 0.00 C ATOM 0 H PHE A 13 56.754 -4.937 1.284 1.00 0.00 H new ATOM 0 HA PHE A 13 55.971 -6.964 3.120 1.00 0.00 H new ATOM 0 HB2 PHE A 13 58.241 -6.732 2.207 1.00 0.00 H new ATOM 0 HB3 PHE A 13 58.374 -5.085 2.789 1.00 0.00 H new ATOM 0 HD1 PHE A 13 57.205 -8.275 4.417 1.00 0.00 H new ATOM 0 HD2 PHE A 13 59.955 -4.976 4.512 1.00 0.00 H new ATOM 0 HE1 PHE A 13 58.129 -9.107 6.563 1.00 0.00 H new ATOM 0 HE2 PHE A 13 60.881 -5.811 6.656 1.00 0.00 H new ATOM 0 HZ PHE A 13 59.968 -7.874 7.682 1.00 0.00 H new ATOM 190 N LEU A 14 56.122 -3.993 4.484 1.00 0.00 N ATOM 191 CA LEU A 14 55.735 -3.268 5.726 1.00 0.00 C ATOM 192 C LEU A 14 54.408 -2.534 5.516 1.00 0.00 C ATOM 193 O LEU A 14 53.948 -2.369 4.405 1.00 0.00 O ATOM 194 CB LEU A 14 56.866 -2.269 5.971 1.00 0.00 C ATOM 195 CG LEU A 14 58.198 -3.016 6.060 1.00 0.00 C ATOM 196 CD1 LEU A 14 59.335 -2.083 5.643 1.00 0.00 C ATOM 197 CD2 LEU A 14 58.424 -3.481 7.501 1.00 0.00 C ATOM 0 H LEU A 14 56.456 -3.402 3.723 1.00 0.00 H new ATOM 0 HA LEU A 14 55.596 -3.942 6.572 1.00 0.00 H new ATOM 0 HB2 LEU A 14 56.901 -1.538 5.163 1.00 0.00 H new ATOM 0 HB3 LEU A 14 56.684 -1.717 6.893 1.00 0.00 H new ATOM 0 HG LEU A 14 58.176 -3.880 5.396 1.00 0.00 H new ATOM 0 HD11 LEU A 14 60.284 -2.615 5.706 1.00 0.00 H new ATOM 0 HD12 LEU A 14 59.174 -1.749 4.618 1.00 0.00 H new ATOM 0 HD13 LEU A 14 59.359 -1.219 6.307 1.00 0.00 H new ATOM 0 HD21 LEU A 14 59.373 -4.014 7.567 1.00 0.00 H new ATOM 0 HD22 LEU A 14 58.447 -2.616 8.163 1.00 0.00 H new ATOM 0 HD23 LEU A 14 57.613 -4.145 7.800 1.00 0.00 H new ATOM 209 N SER A 15 53.789 -2.092 6.577 1.00 0.00 N ATOM 210 CA SER A 15 52.494 -1.368 6.436 1.00 0.00 C ATOM 211 C SER A 15 52.740 0.063 5.950 1.00 0.00 C ATOM 212 O SER A 15 53.843 0.568 6.010 1.00 0.00 O ATOM 213 CB SER A 15 51.892 -1.360 7.841 1.00 0.00 C ATOM 214 OG SER A 15 52.263 -2.555 8.517 1.00 0.00 O ATOM 0 H SER A 15 54.124 -2.201 7.534 1.00 0.00 H new ATOM 0 HA SER A 15 51.832 -1.841 5.711 1.00 0.00 H new ATOM 0 HB2 SER A 15 52.245 -0.490 8.395 1.00 0.00 H new ATOM 0 HB3 SER A 15 50.806 -1.283 7.784 1.00 0.00 H new ATOM 0 HG SER A 15 51.880 -2.553 9.419 1.00 0.00 H new ATOM 220 N GLU A 16 51.720 0.719 5.469 1.00 0.00 N ATOM 221 CA GLU A 16 51.898 2.116 4.982 1.00 0.00 C ATOM 222 C GLU A 16 52.411 3.009 6.114 1.00 0.00 C ATOM 223 O GLU A 16 53.229 3.884 5.906 1.00 0.00 O ATOM 224 CB GLU A 16 50.503 2.562 4.539 1.00 0.00 C ATOM 225 CG GLU A 16 50.553 4.022 4.084 1.00 0.00 C ATOM 226 CD GLU A 16 49.227 4.396 3.420 1.00 0.00 C ATOM 227 OE1 GLU A 16 48.231 3.766 3.735 1.00 0.00 O ATOM 228 OE2 GLU A 16 49.230 5.306 2.608 1.00 0.00 O ATOM 0 H GLU A 16 50.773 0.349 5.392 1.00 0.00 H new ATOM 0 HA GLU A 16 52.624 2.181 4.172 1.00 0.00 H new ATOM 0 HB2 GLU A 16 50.149 1.929 3.726 1.00 0.00 H new ATOM 0 HB3 GLU A 16 49.796 2.450 5.361 1.00 0.00 H new ATOM 0 HG2 GLU A 16 50.741 4.674 4.937 1.00 0.00 H new ATOM 0 HG3 GLU A 16 51.376 4.168 3.384 1.00 0.00 H new ATOM 235 N GLU A 17 51.937 2.795 7.311 1.00 0.00 N ATOM 236 CA GLU A 17 52.399 3.633 8.456 1.00 0.00 C ATOM 237 C GLU A 17 53.914 3.504 8.631 1.00 0.00 C ATOM 238 O GLU A 17 54.565 4.389 9.150 1.00 0.00 O ATOM 239 CB GLU A 17 51.667 3.071 9.677 1.00 0.00 C ATOM 240 CG GLU A 17 51.939 1.570 9.793 1.00 0.00 C ATOM 241 CD GLU A 17 52.653 1.280 11.113 1.00 0.00 C ATOM 242 OE1 GLU A 17 52.008 1.370 12.145 1.00 0.00 O ATOM 243 OE2 GLU A 17 53.834 0.974 11.071 1.00 0.00 O ATOM 0 H GLU A 17 51.251 2.078 7.546 1.00 0.00 H new ATOM 0 HA GLU A 17 52.188 4.692 8.305 1.00 0.00 H new ATOM 0 HB2 GLU A 17 52.000 3.582 10.580 1.00 0.00 H new ATOM 0 HB3 GLU A 17 50.596 3.251 9.586 1.00 0.00 H new ATOM 0 HG2 GLU A 17 51.002 1.015 9.745 1.00 0.00 H new ATOM 0 HG3 GLU A 17 52.551 1.235 8.955 1.00 0.00 H new ATOM 250 N MET A 18 54.481 2.410 8.203 1.00 0.00 N ATOM 251 CA MET A 18 55.955 2.229 8.347 1.00 0.00 C ATOM 252 C MET A 18 56.688 2.968 7.225 1.00 0.00 C ATOM 253 O MET A 18 57.670 3.644 7.453 1.00 0.00 O ATOM 254 CB MET A 18 56.182 0.721 8.237 1.00 0.00 C ATOM 255 CG MET A 18 57.666 0.444 7.986 1.00 0.00 C ATOM 256 SD MET A 18 58.661 1.324 9.215 1.00 0.00 S ATOM 257 CE MET A 18 59.020 -0.098 10.276 1.00 0.00 C ATOM 0 H MET A 18 53.989 1.634 7.760 1.00 0.00 H new ATOM 0 HA MET A 18 56.332 2.628 9.289 1.00 0.00 H new ATOM 0 HB2 MET A 18 55.859 0.226 9.153 1.00 0.00 H new ATOM 0 HB3 MET A 18 55.582 0.311 7.425 1.00 0.00 H new ATOM 0 HG2 MET A 18 57.862 -0.627 8.043 1.00 0.00 H new ATOM 0 HG3 MET A 18 57.942 0.765 6.982 1.00 0.00 H new ATOM 0 HE1 MET A 18 59.636 0.222 11.117 1.00 0.00 H new ATOM 0 HE2 MET A 18 58.086 -0.518 10.649 1.00 0.00 H new ATOM 0 HE3 MET A 18 59.554 -0.855 9.702 1.00 0.00 H new ATOM 267 N ILE A 19 56.218 2.843 6.013 1.00 0.00 N ATOM 268 CA ILE A 19 56.891 3.540 4.879 1.00 0.00 C ATOM 269 C ILE A 19 57.171 4.999 5.250 1.00 0.00 C ATOM 270 O ILE A 19 58.135 5.588 4.804 1.00 0.00 O ATOM 271 CB ILE A 19 55.896 3.459 3.720 1.00 0.00 C ATOM 272 CG1 ILE A 19 55.909 2.044 3.136 1.00 0.00 C ATOM 273 CG2 ILE A 19 56.294 4.460 2.634 1.00 0.00 C ATOM 274 CD1 ILE A 19 54.748 1.887 2.151 1.00 0.00 C ATOM 0 H ILE A 19 55.399 2.290 5.759 1.00 0.00 H new ATOM 0 HA ILE A 19 57.850 3.089 4.623 1.00 0.00 H new ATOM 0 HB ILE A 19 54.896 3.695 4.083 1.00 0.00 H new ATOM 0 HG12 ILE A 19 56.856 1.857 2.631 1.00 0.00 H new ATOM 0 HG13 ILE A 19 55.823 1.308 3.936 1.00 0.00 H new ATOM 0 HG21 ILE A 19 55.585 4.402 1.808 1.00 0.00 H new ATOM 0 HG22 ILE A 19 56.287 5.468 3.048 1.00 0.00 H new ATOM 0 HG23 ILE A 19 57.294 4.224 2.271 1.00 0.00 H new ATOM 0 HD11 ILE A 19 54.757 0.879 1.735 1.00 0.00 H new ATOM 0 HD12 ILE A 19 53.805 2.057 2.670 1.00 0.00 H new ATOM 0 HD13 ILE A 19 54.854 2.613 1.345 1.00 0.00 H new ATOM 286 N ALA A 20 56.336 5.584 6.065 1.00 0.00 N ATOM 287 CA ALA A 20 56.558 7.004 6.465 1.00 0.00 C ATOM 288 C ALA A 20 57.659 7.088 7.527 1.00 0.00 C ATOM 289 O ALA A 20 58.113 8.157 7.882 1.00 0.00 O ATOM 290 CB ALA A 20 55.220 7.466 7.043 1.00 0.00 C ATOM 0 H ALA A 20 55.511 5.142 6.471 1.00 0.00 H new ATOM 0 HA ALA A 20 56.876 7.624 5.627 1.00 0.00 H new ATOM 0 HB1 ALA A 20 55.301 8.505 7.362 1.00 0.00 H new ATOM 0 HB2 ALA A 20 54.445 7.379 6.281 1.00 0.00 H new ATOM 0 HB3 ALA A 20 54.959 6.843 7.899 1.00 0.00 H new ATOM 296 N GLU A 21 58.090 5.965 8.036 1.00 0.00 N ATOM 297 CA GLU A 21 59.161 5.979 9.073 1.00 0.00 C ATOM 298 C GLU A 21 60.540 6.013 8.411 1.00 0.00 C ATOM 299 O GLU A 21 61.368 6.847 8.721 1.00 0.00 O ATOM 300 CB GLU A 21 58.971 4.675 9.853 1.00 0.00 C ATOM 301 CG GLU A 21 60.179 4.445 10.764 1.00 0.00 C ATOM 302 CD GLU A 21 60.270 5.579 11.787 1.00 0.00 C ATOM 303 OE1 GLU A 21 59.304 6.315 11.915 1.00 0.00 O ATOM 304 OE2 GLU A 21 61.302 5.693 12.426 1.00 0.00 O ATOM 0 H GLU A 21 57.747 5.040 7.779 1.00 0.00 H new ATOM 0 HA GLU A 21 59.100 6.855 9.719 1.00 0.00 H new ATOM 0 HB2 GLU A 21 58.058 4.724 10.447 1.00 0.00 H new ATOM 0 HB3 GLU A 21 58.858 3.839 9.163 1.00 0.00 H new ATOM 0 HG2 GLU A 21 60.085 3.487 11.275 1.00 0.00 H new ATOM 0 HG3 GLU A 21 61.092 4.402 10.171 1.00 0.00 H new ATOM 311 N PHE A 22 60.792 5.115 7.499 1.00 0.00 N ATOM 312 CA PHE A 22 62.119 5.098 6.816 1.00 0.00 C ATOM 313 C PHE A 22 62.288 6.358 5.963 1.00 0.00 C ATOM 314 O PHE A 22 63.382 6.858 5.787 1.00 0.00 O ATOM 315 CB PHE A 22 62.095 3.848 5.932 1.00 0.00 C ATOM 316 CG PHE A 22 62.050 2.600 6.790 1.00 0.00 C ATOM 317 CD1 PHE A 22 62.146 2.692 8.186 1.00 0.00 C ATOM 318 CD2 PHE A 22 61.912 1.345 6.183 1.00 0.00 C ATOM 319 CE1 PHE A 22 62.104 1.533 8.970 1.00 0.00 C ATOM 320 CE2 PHE A 22 61.870 0.186 6.968 1.00 0.00 C ATOM 321 CZ PHE A 22 61.966 0.280 8.361 1.00 0.00 C ATOM 0 H PHE A 22 60.138 4.393 7.197 1.00 0.00 H new ATOM 0 HA PHE A 22 62.949 5.079 7.523 1.00 0.00 H new ATOM 0 HB2 PHE A 22 61.227 3.876 5.273 1.00 0.00 H new ATOM 0 HB3 PHE A 22 62.979 3.828 5.294 1.00 0.00 H new ATOM 0 HD1 PHE A 22 62.252 3.658 8.657 1.00 0.00 H new ATOM 0 HD2 PHE A 22 61.838 1.271 5.108 1.00 0.00 H new ATOM 0 HE1 PHE A 22 62.178 1.605 10.045 1.00 0.00 H new ATOM 0 HE2 PHE A 22 61.763 -0.781 6.498 1.00 0.00 H new ATOM 0 HZ PHE A 22 61.934 -0.614 8.966 1.00 0.00 H new ATOM 331 N LYS A 23 61.213 6.875 5.434 1.00 0.00 N ATOM 332 CA LYS A 23 61.313 8.103 4.594 1.00 0.00 C ATOM 333 C LYS A 23 62.226 9.130 5.268 1.00 0.00 C ATOM 334 O LYS A 23 63.283 9.460 4.766 1.00 0.00 O ATOM 335 CB LYS A 23 59.883 8.635 4.498 1.00 0.00 C ATOM 336 CG LYS A 23 59.794 9.661 3.368 1.00 0.00 C ATOM 337 CD LYS A 23 59.967 8.954 2.021 1.00 0.00 C ATOM 338 CE LYS A 23 59.264 9.759 0.926 1.00 0.00 C ATOM 339 NZ LYS A 23 59.869 9.283 -0.348 1.00 0.00 N ATOM 0 H LYS A 23 60.271 6.501 5.547 1.00 0.00 H new ATOM 0 HA LYS A 23 61.737 7.899 3.611 1.00 0.00 H new ATOM 0 HB2 LYS A 23 59.190 7.814 4.313 1.00 0.00 H new ATOM 0 HB3 LYS A 23 59.590 9.093 5.443 1.00 0.00 H new ATOM 0 HG2 LYS A 23 58.832 10.172 3.402 1.00 0.00 H new ATOM 0 HG3 LYS A 23 60.564 10.423 3.493 1.00 0.00 H new ATOM 0 HD2 LYS A 23 61.026 8.850 1.787 1.00 0.00 H new ATOM 0 HD3 LYS A 23 59.551 7.948 2.071 1.00 0.00 H new ATOM 0 HE2 LYS A 23 58.187 9.589 0.940 1.00 0.00 H new ATOM 0 HE3 LYS A 23 59.419 10.829 1.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 59.438 9.789 -1.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 60.893 9.464 -0.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 59.700 8.262 -0.453 1.00 0.00 H new ATOM 353 N ALA A 24 61.829 9.637 6.403 1.00 0.00 N ATOM 354 CA ALA A 24 62.677 10.641 7.109 1.00 0.00 C ATOM 355 C ALA A 24 64.054 10.047 7.414 1.00 0.00 C ATOM 356 O ALA A 24 65.034 10.755 7.531 1.00 0.00 O ATOM 357 CB ALA A 24 61.927 10.952 8.405 1.00 0.00 C ATOM 0 H ALA A 24 60.955 9.400 6.872 1.00 0.00 H new ATOM 0 HA ALA A 24 62.843 11.537 6.510 1.00 0.00 H new ATOM 0 HB1 ALA A 24 62.488 11.686 8.983 1.00 0.00 H new ATOM 0 HB2 ALA A 24 60.942 11.354 8.168 1.00 0.00 H new ATOM 0 HB3 ALA A 24 61.815 10.038 8.989 1.00 0.00 H new ATOM 363 N ALA A 25 64.134 8.751 7.544 1.00 0.00 N ATOM 364 CA ALA A 25 65.449 8.113 7.841 1.00 0.00 C ATOM 365 C ALA A 25 66.286 8.012 6.563 1.00 0.00 C ATOM 366 O ALA A 25 67.472 8.273 6.563 1.00 0.00 O ATOM 367 CB ALA A 25 65.103 6.719 8.366 1.00 0.00 C ATOM 0 H ALA A 25 63.348 8.107 7.458 1.00 0.00 H new ATOM 0 HA ALA A 25 66.034 8.686 8.561 1.00 0.00 H new ATOM 0 HB1 ALA A 25 66.021 6.183 8.608 1.00 0.00 H new ATOM 0 HB2 ALA A 25 64.489 6.810 9.262 1.00 0.00 H new ATOM 0 HB3 ALA A 25 64.553 6.169 7.603 1.00 0.00 H new ATOM 373 N PHE A 26 65.676 7.634 5.473 1.00 0.00 N ATOM 374 CA PHE A 26 66.435 7.515 4.195 1.00 0.00 C ATOM 375 C PHE A 26 66.853 8.900 3.689 1.00 0.00 C ATOM 376 O PHE A 26 67.905 9.065 3.104 1.00 0.00 O ATOM 377 CB PHE A 26 65.460 6.860 3.217 1.00 0.00 C ATOM 378 CG PHE A 26 65.983 7.014 1.809 1.00 0.00 C ATOM 379 CD1 PHE A 26 65.662 8.154 1.065 1.00 0.00 C ATOM 380 CD2 PHE A 26 66.793 6.019 1.252 1.00 0.00 C ATOM 381 CE1 PHE A 26 66.150 8.300 -0.238 1.00 0.00 C ATOM 382 CE2 PHE A 26 67.284 6.164 -0.051 1.00 0.00 C ATOM 383 CZ PHE A 26 66.962 7.304 -0.796 1.00 0.00 C ATOM 0 H PHE A 26 64.685 7.402 5.412 1.00 0.00 H new ATOM 0 HA PHE A 26 67.350 6.934 4.313 1.00 0.00 H new ATOM 0 HB2 PHE A 26 65.340 5.804 3.459 1.00 0.00 H new ATOM 0 HB3 PHE A 26 64.476 7.321 3.304 1.00 0.00 H new ATOM 0 HD1 PHE A 26 65.037 8.922 1.497 1.00 0.00 H new ATOM 0 HD2 PHE A 26 67.040 5.139 1.827 1.00 0.00 H new ATOM 0 HE1 PHE A 26 65.901 9.180 -0.813 1.00 0.00 H new ATOM 0 HE2 PHE A 26 67.911 5.397 -0.481 1.00 0.00 H new ATOM 0 HZ PHE A 26 67.340 7.416 -1.802 1.00 0.00 H new ATOM 393 N ASP A 27 66.035 9.894 3.905 1.00 0.00 N ATOM 394 CA ASP A 27 66.384 11.266 3.429 1.00 0.00 C ATOM 395 C ASP A 27 67.557 11.830 4.236 1.00 0.00 C ATOM 396 O ASP A 27 68.056 12.902 3.955 1.00 0.00 O ATOM 397 CB ASP A 27 65.122 12.097 3.666 1.00 0.00 C ATOM 398 CG ASP A 27 65.168 13.356 2.799 1.00 0.00 C ATOM 399 OD1 ASP A 27 66.236 13.933 2.683 1.00 0.00 O ATOM 400 OD2 ASP A 27 64.133 13.721 2.264 1.00 0.00 O ATOM 0 H ASP A 27 65.141 9.817 4.390 1.00 0.00 H new ATOM 0 HA ASP A 27 66.690 11.273 2.383 1.00 0.00 H new ATOM 0 HB2 ASP A 27 64.236 11.509 3.425 1.00 0.00 H new ATOM 0 HB3 ASP A 27 65.046 12.370 4.718 1.00 0.00 H new ATOM 405 N MET A 28 68.003 11.118 5.234 1.00 0.00 N ATOM 406 CA MET A 28 69.145 11.618 6.054 1.00 0.00 C ATOM 407 C MET A 28 70.355 11.904 5.163 1.00 0.00 C ATOM 408 O MET A 28 71.216 12.692 5.502 1.00 0.00 O ATOM 409 CB MET A 28 69.457 10.485 7.031 1.00 0.00 C ATOM 410 CG MET A 28 68.458 10.519 8.187 1.00 0.00 C ATOM 411 SD MET A 28 69.308 10.108 9.732 1.00 0.00 S ATOM 412 CE MET A 28 69.779 11.795 10.189 1.00 0.00 C ATOM 0 H MET A 28 67.628 10.213 5.518 1.00 0.00 H new ATOM 0 HA MET A 28 68.905 12.548 6.569 1.00 0.00 H new ATOM 0 HB2 MET A 28 69.404 9.524 6.519 1.00 0.00 H new ATOM 0 HB3 MET A 28 70.473 10.588 7.411 1.00 0.00 H new ATOM 0 HG2 MET A 28 68.005 11.507 8.261 1.00 0.00 H new ATOM 0 HG3 MET A 28 67.650 9.810 8.004 1.00 0.00 H new ATOM 0 HE1 MET A 28 70.326 11.777 11.132 1.00 0.00 H new ATOM 0 HE2 MET A 28 70.412 12.220 9.410 1.00 0.00 H new ATOM 0 HE3 MET A 28 68.883 12.405 10.301 1.00 0.00 H new ATOM 422 N PHE A 29 70.433 11.264 4.030 1.00 0.00 N ATOM 423 CA PHE A 29 71.597 11.496 3.122 1.00 0.00 C ATOM 424 C PHE A 29 71.110 11.964 1.747 1.00 0.00 C ATOM 425 O PHE A 29 71.862 12.006 0.794 1.00 0.00 O ATOM 426 CB PHE A 29 72.304 10.139 3.009 1.00 0.00 C ATOM 427 CG PHE A 29 72.241 9.414 4.335 1.00 0.00 C ATOM 428 CD1 PHE A 29 71.160 8.569 4.615 1.00 0.00 C ATOM 429 CD2 PHE A 29 73.255 9.593 5.283 1.00 0.00 C ATOM 430 CE1 PHE A 29 71.093 7.902 5.845 1.00 0.00 C ATOM 431 CE2 PHE A 29 73.188 8.926 6.513 1.00 0.00 C ATOM 432 CZ PHE A 29 72.107 8.081 6.795 1.00 0.00 C ATOM 0 H PHE A 29 69.745 10.592 3.692 1.00 0.00 H new ATOM 0 HA PHE A 29 72.265 12.268 3.504 1.00 0.00 H new ATOM 0 HB2 PHE A 29 71.832 9.537 2.233 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.343 10.284 2.713 1.00 0.00 H new ATOM 0 HD1 PHE A 29 70.378 8.432 3.883 1.00 0.00 H new ATOM 0 HD2 PHE A 29 74.088 10.245 5.066 1.00 0.00 H new ATOM 0 HE1 PHE A 29 70.260 7.250 6.061 1.00 0.00 H new ATOM 0 HE2 PHE A 29 73.971 9.063 7.245 1.00 0.00 H new ATOM 0 HZ PHE A 29 72.055 7.568 7.744 1.00 0.00 H new ATOM 442 N ASP A 30 69.858 12.317 1.638 1.00 0.00 N ATOM 443 CA ASP A 30 69.327 12.783 0.325 1.00 0.00 C ATOM 444 C ASP A 30 69.141 14.303 0.337 1.00 0.00 C ATOM 445 O ASP A 30 68.126 14.817 -0.088 1.00 0.00 O ATOM 446 CB ASP A 30 67.977 12.081 0.171 1.00 0.00 C ATOM 447 CG ASP A 30 67.925 11.364 -1.180 1.00 0.00 C ATOM 448 OD1 ASP A 30 68.094 12.029 -2.188 1.00 0.00 O ATOM 449 OD2 ASP A 30 67.718 10.162 -1.182 1.00 0.00 O ATOM 0 H ASP A 30 69.180 12.303 2.400 1.00 0.00 H new ATOM 0 HA ASP A 30 70.004 12.552 -0.498 1.00 0.00 H new ATOM 0 HB2 ASP A 30 67.833 11.365 0.980 1.00 0.00 H new ATOM 0 HB3 ASP A 30 67.167 12.808 0.240 1.00 0.00 H new ATOM 454 N ALA A 31 70.115 15.026 0.820 1.00 0.00 N ATOM 455 CA ALA A 31 69.992 16.511 0.857 1.00 0.00 C ATOM 456 C ALA A 31 70.151 17.090 -0.550 1.00 0.00 C ATOM 457 O ALA A 31 69.729 18.195 -0.829 1.00 0.00 O ATOM 458 CB ALA A 31 71.129 16.981 1.763 1.00 0.00 C ATOM 0 H ALA A 31 70.989 14.653 1.190 1.00 0.00 H new ATOM 0 HA ALA A 31 69.019 16.835 1.225 1.00 0.00 H new ATOM 0 HB1 ALA A 31 71.106 18.068 1.841 1.00 0.00 H new ATOM 0 HB2 ALA A 31 71.009 16.543 2.754 1.00 0.00 H new ATOM 0 HB3 ALA A 31 72.084 16.668 1.341 1.00 0.00 H new ATOM 464 N ASP A 32 70.759 16.353 -1.440 1.00 0.00 N ATOM 465 CA ASP A 32 70.946 16.862 -2.828 1.00 0.00 C ATOM 466 C ASP A 32 70.297 15.905 -3.832 1.00 0.00 C ATOM 467 O ASP A 32 70.139 16.221 -4.994 1.00 0.00 O ATOM 468 CB ASP A 32 72.461 16.908 -3.034 1.00 0.00 C ATOM 469 CG ASP A 32 73.042 18.108 -2.283 1.00 0.00 C ATOM 470 OD1 ASP A 32 73.271 17.982 -1.091 1.00 0.00 O ATOM 471 OD2 ASP A 32 73.250 19.132 -2.913 1.00 0.00 O ATOM 0 H ASP A 32 71.134 15.421 -1.265 1.00 0.00 H new ATOM 0 HA ASP A 32 70.486 17.839 -2.975 1.00 0.00 H new ATOM 0 HB2 ASP A 32 72.916 15.985 -2.674 1.00 0.00 H new ATOM 0 HB3 ASP A 32 72.692 16.984 -4.097 1.00 0.00 H new ATOM 476 N GLY A 33 69.919 14.737 -3.391 1.00 0.00 N ATOM 477 CA GLY A 33 69.281 13.760 -4.317 1.00 0.00 C ATOM 478 C GLY A 33 67.777 14.032 -4.390 1.00 0.00 C ATOM 479 O GLY A 33 67.154 13.861 -5.419 1.00 0.00 O ATOM 0 H GLY A 33 70.025 14.417 -2.428 1.00 0.00 H new ATOM 0 HA2 GLY A 33 69.724 13.841 -5.309 1.00 0.00 H new ATOM 0 HA3 GLY A 33 69.461 12.743 -3.969 1.00 0.00 H new ATOM 483 N GLY A 34 67.189 14.456 -3.305 1.00 0.00 N ATOM 484 CA GLY A 34 65.725 14.740 -3.311 1.00 0.00 C ATOM 485 C GLY A 34 64.946 13.425 -3.344 1.00 0.00 C ATOM 486 O GLY A 34 63.775 13.393 -3.667 1.00 0.00 O ATOM 0 H GLY A 34 67.659 14.618 -2.414 1.00 0.00 H new ATOM 0 HA2 GLY A 34 65.452 15.313 -2.425 1.00 0.00 H new ATOM 0 HA3 GLY A 34 65.466 15.349 -4.177 1.00 0.00 H new ATOM 490 N GLY A 35 65.585 12.337 -3.008 1.00 0.00 N ATOM 491 CA GLY A 35 64.878 11.024 -3.018 1.00 0.00 C ATOM 492 C GLY A 35 65.891 9.897 -3.225 1.00 0.00 C ATOM 493 O GLY A 35 65.624 8.749 -2.930 1.00 0.00 O ATOM 0 H GLY A 35 66.565 12.300 -2.727 1.00 0.00 H new ATOM 0 HA2 GLY A 35 64.345 10.879 -2.078 1.00 0.00 H new ATOM 0 HA3 GLY A 35 64.133 11.007 -3.813 1.00 0.00 H new ATOM 497 N ASP A 36 67.052 10.212 -3.731 1.00 0.00 N ATOM 498 CA ASP A 36 68.079 9.155 -3.955 1.00 0.00 C ATOM 499 C ASP A 36 69.462 9.657 -3.535 1.00 0.00 C ATOM 500 O ASP A 36 69.908 10.704 -3.960 1.00 0.00 O ATOM 501 CB ASP A 36 68.044 8.882 -5.459 1.00 0.00 C ATOM 502 CG ASP A 36 68.085 10.209 -6.220 1.00 0.00 C ATOM 503 OD1 ASP A 36 69.115 10.861 -6.179 1.00 0.00 O ATOM 504 OD2 ASP A 36 67.086 10.549 -6.833 1.00 0.00 O ATOM 0 H ASP A 36 67.334 11.155 -3.999 1.00 0.00 H new ATOM 0 HA ASP A 36 67.878 8.257 -3.371 1.00 0.00 H new ATOM 0 HB2 ASP A 36 68.892 8.260 -5.746 1.00 0.00 H new ATOM 0 HB3 ASP A 36 67.141 8.330 -5.718 1.00 0.00 H new ATOM 509 N ILE A 37 70.143 8.918 -2.702 1.00 0.00 N ATOM 510 CA ILE A 37 71.498 9.353 -2.256 1.00 0.00 C ATOM 511 C ILE A 37 72.576 8.626 -3.064 1.00 0.00 C ATOM 512 O ILE A 37 72.286 7.762 -3.869 1.00 0.00 O ATOM 513 CB ILE A 37 71.576 8.958 -0.780 1.00 0.00 C ATOM 514 CG1 ILE A 37 71.611 7.432 -0.663 1.00 0.00 C ATOM 515 CG2 ILE A 37 70.350 9.496 -0.042 1.00 0.00 C ATOM 516 CD1 ILE A 37 71.514 7.031 0.811 1.00 0.00 C ATOM 0 H ILE A 37 69.820 8.033 -2.311 1.00 0.00 H new ATOM 0 HA ILE A 37 71.658 10.422 -2.400 1.00 0.00 H new ATOM 0 HB ILE A 37 72.479 9.379 -0.339 1.00 0.00 H new ATOM 0 HG12 ILE A 37 70.786 6.994 -1.225 1.00 0.00 H new ATOM 0 HG13 ILE A 37 72.533 7.044 -1.097 1.00 0.00 H new ATOM 0 HG21 ILE A 37 70.406 9.214 1.010 1.00 0.00 H new ATOM 0 HG22 ILE A 37 70.323 10.582 -0.126 1.00 0.00 H new ATOM 0 HG23 ILE A 37 69.446 9.075 -0.483 1.00 0.00 H new ATOM 0 HD11 ILE A 37 71.539 5.945 0.895 1.00 0.00 H new ATOM 0 HD12 ILE A 37 72.354 7.457 1.360 1.00 0.00 H new ATOM 0 HD13 ILE A 37 70.580 7.406 1.229 1.00 0.00 H new ATOM 528 N SER A 38 73.818 8.971 -2.859 1.00 0.00 N ATOM 529 CA SER A 38 74.912 8.299 -3.616 1.00 0.00 C ATOM 530 C SER A 38 74.898 6.793 -3.342 1.00 0.00 C ATOM 531 O SER A 38 74.792 6.359 -2.213 1.00 0.00 O ATOM 532 CB SER A 38 76.201 8.928 -3.090 1.00 0.00 C ATOM 533 OG SER A 38 76.169 10.329 -3.322 1.00 0.00 O ATOM 0 H SER A 38 74.122 9.688 -2.201 1.00 0.00 H new ATOM 0 HA SER A 38 74.807 8.426 -4.694 1.00 0.00 H new ATOM 0 HB2 SER A 38 76.309 8.727 -2.024 1.00 0.00 H new ATOM 0 HB3 SER A 38 77.064 8.485 -3.587 1.00 0.00 H new ATOM 0 HG SER A 38 76.994 10.735 -2.984 1.00 0.00 H new ATOM 539 N THR A 39 75.005 5.992 -4.367 1.00 0.00 N ATOM 540 CA THR A 39 74.999 4.515 -4.163 1.00 0.00 C ATOM 541 C THR A 39 76.000 4.129 -3.071 1.00 0.00 C ATOM 542 O THR A 39 75.837 3.137 -2.389 1.00 0.00 O ATOM 543 CB THR A 39 75.419 3.928 -5.512 1.00 0.00 C ATOM 544 OG1 THR A 39 76.609 4.567 -5.953 1.00 0.00 O ATOM 545 CG2 THR A 39 74.306 4.151 -6.537 1.00 0.00 C ATOM 0 H THR A 39 75.096 6.296 -5.336 1.00 0.00 H new ATOM 0 HA THR A 39 74.025 4.144 -3.844 1.00 0.00 H new ATOM 0 HB THR A 39 75.599 2.858 -5.404 1.00 0.00 H new ATOM 0 HG1 THR A 39 77.100 3.967 -6.553 1.00 0.00 H new ATOM 0 HG21 THR A 39 74.607 3.732 -7.497 1.00 0.00 H new ATOM 0 HG22 THR A 39 73.394 3.660 -6.197 1.00 0.00 H new ATOM 0 HG23 THR A 39 74.123 5.220 -6.648 1.00 0.00 H new ATOM 553 N LYS A 40 77.034 4.906 -2.901 1.00 0.00 N ATOM 554 CA LYS A 40 78.045 4.584 -1.852 1.00 0.00 C ATOM 555 C LYS A 40 77.482 4.892 -0.461 1.00 0.00 C ATOM 556 O LYS A 40 77.884 4.307 0.525 1.00 0.00 O ATOM 557 CB LYS A 40 79.236 5.493 -2.157 1.00 0.00 C ATOM 558 CG LYS A 40 80.357 4.669 -2.794 1.00 0.00 C ATOM 559 CD LYS A 40 80.435 4.983 -4.288 1.00 0.00 C ATOM 560 CE LYS A 40 81.869 4.773 -4.780 1.00 0.00 C ATOM 561 NZ LYS A 40 81.863 3.425 -5.412 1.00 0.00 N ATOM 0 H LYS A 40 77.223 5.750 -3.442 1.00 0.00 H new ATOM 0 HA LYS A 40 78.322 3.530 -1.858 1.00 0.00 H new ATOM 0 HB2 LYS A 40 78.932 6.295 -2.830 1.00 0.00 H new ATOM 0 HB3 LYS A 40 79.592 5.964 -1.241 1.00 0.00 H new ATOM 0 HG2 LYS A 40 81.308 4.897 -2.314 1.00 0.00 H new ATOM 0 HG3 LYS A 40 80.171 3.605 -2.644 1.00 0.00 H new ATOM 0 HD2 LYS A 40 79.751 4.339 -4.842 1.00 0.00 H new ATOM 0 HD3 LYS A 40 80.123 6.011 -4.471 1.00 0.00 H new ATOM 0 HE2 LYS A 40 82.158 5.543 -5.495 1.00 0.00 H new ATOM 0 HE3 LYS A 40 82.581 4.820 -3.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 82.813 3.207 -5.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 81.590 2.712 -4.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 81.181 3.413 -6.197 1.00 0.00 H new ATOM 575 N GLU A 41 76.555 5.807 -0.375 1.00 0.00 N ATOM 576 CA GLU A 41 75.969 6.151 0.952 1.00 0.00 C ATOM 577 C GLU A 41 74.686 5.349 1.188 1.00 0.00 C ATOM 578 O GLU A 41 73.932 5.621 2.101 1.00 0.00 O ATOM 579 CB GLU A 41 75.660 7.645 0.873 1.00 0.00 C ATOM 580 CG GLU A 41 74.940 8.086 2.149 1.00 0.00 C ATOM 581 CD GLU A 41 75.615 9.338 2.711 1.00 0.00 C ATOM 582 OE1 GLU A 41 75.684 10.322 1.994 1.00 0.00 O ATOM 583 OE2 GLU A 41 76.051 9.292 3.849 1.00 0.00 O ATOM 0 H GLU A 41 76.178 6.331 -1.165 1.00 0.00 H new ATOM 0 HA GLU A 41 76.645 5.918 1.775 1.00 0.00 H new ATOM 0 HB2 GLU A 41 76.583 8.212 0.749 1.00 0.00 H new ATOM 0 HB3 GLU A 41 75.039 7.853 0.002 1.00 0.00 H new ATOM 0 HG2 GLU A 41 73.891 8.291 1.935 1.00 0.00 H new ATOM 0 HG3 GLU A 41 74.964 7.285 2.888 1.00 0.00 H new ATOM 590 N LEU A 42 74.435 4.361 0.373 1.00 0.00 N ATOM 591 CA LEU A 42 73.201 3.542 0.553 1.00 0.00 C ATOM 592 C LEU A 42 73.341 2.639 1.781 1.00 0.00 C ATOM 593 O LEU A 42 72.535 2.678 2.689 1.00 0.00 O ATOM 594 CB LEU A 42 73.093 2.702 -0.719 1.00 0.00 C ATOM 595 CG LEU A 42 71.959 1.687 -0.566 1.00 0.00 C ATOM 596 CD1 LEU A 42 71.182 1.586 -1.879 1.00 0.00 C ATOM 597 CD2 LEU A 42 72.546 0.319 -0.214 1.00 0.00 C ATOM 0 H LEU A 42 75.029 4.085 -0.409 1.00 0.00 H new ATOM 0 HA LEU A 42 72.316 4.159 0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 42 72.905 3.346 -1.578 1.00 0.00 H new ATOM 0 HB3 LEU A 42 74.034 2.186 -0.908 1.00 0.00 H new ATOM 0 HG LEU A 42 71.286 2.011 0.228 1.00 0.00 H new ATOM 0 HD11 LEU A 42 70.374 0.863 -1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 42 70.764 2.561 -2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 42 71.853 1.263 -2.675 1.00 0.00 H new ATOM 0 HD21 LEU A 42 71.739 -0.406 -0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 42 73.218 -0.004 -1.009 1.00 0.00 H new ATOM 0 HD23 LEU A 42 73.099 0.390 0.723 1.00 0.00 H new ATOM 609 N GLY A 43 74.361 1.825 1.815 1.00 0.00 N ATOM 610 CA GLY A 43 74.554 0.919 2.982 1.00 0.00 C ATOM 611 C GLY A 43 74.385 1.711 4.281 1.00 0.00 C ATOM 612 O GLY A 43 74.067 1.161 5.316 1.00 0.00 O ATOM 0 H GLY A 43 75.069 1.749 1.085 1.00 0.00 H new ATOM 0 HA2 GLY A 43 73.832 0.103 2.945 1.00 0.00 H new ATOM 0 HA3 GLY A 43 75.546 0.469 2.945 1.00 0.00 H new ATOM 616 N THR A 44 74.594 2.998 4.234 1.00 0.00 N ATOM 617 CA THR A 44 74.447 3.825 5.466 1.00 0.00 C ATOM 618 C THR A 44 72.972 3.915 5.873 1.00 0.00 C ATOM 619 O THR A 44 72.607 3.604 6.990 1.00 0.00 O ATOM 620 CB THR A 44 74.989 5.205 5.079 1.00 0.00 C ATOM 621 OG1 THR A 44 76.408 5.189 5.149 1.00 0.00 O ATOM 622 CG2 THR A 44 74.442 6.266 6.038 1.00 0.00 C ATOM 0 H THR A 44 74.860 3.513 3.395 1.00 0.00 H new ATOM 0 HA THR A 44 74.981 3.402 6.317 1.00 0.00 H new ATOM 0 HB THR A 44 74.674 5.445 4.063 1.00 0.00 H new ATOM 0 HG1 THR A 44 76.758 6.070 4.900 1.00 0.00 H new ATOM 0 HG21 THR A 44 74.831 7.245 5.758 1.00 0.00 H new ATOM 0 HG22 THR A 44 73.353 6.279 5.984 1.00 0.00 H new ATOM 0 HG23 THR A 44 74.752 6.030 7.056 1.00 0.00 H new ATOM 630 N VAL A 45 72.125 4.341 4.979 1.00 0.00 N ATOM 631 CA VAL A 45 70.679 4.454 5.319 1.00 0.00 C ATOM 632 C VAL A 45 70.209 3.184 6.029 1.00 0.00 C ATOM 633 O VAL A 45 69.958 3.180 7.218 1.00 0.00 O ATOM 634 CB VAL A 45 69.969 4.615 3.977 1.00 0.00 C ATOM 635 CG1 VAL A 45 68.472 4.347 4.152 1.00 0.00 C ATOM 636 CG2 VAL A 45 70.174 6.041 3.461 1.00 0.00 C ATOM 0 H VAL A 45 72.371 4.616 4.028 1.00 0.00 H new ATOM 0 HA VAL A 45 70.472 5.289 5.989 1.00 0.00 H new ATOM 0 HB VAL A 45 70.382 3.904 3.261 1.00 0.00 H new ATOM 0 HG11 VAL A 45 67.967 4.462 3.193 1.00 0.00 H new ATOM 0 HG12 VAL A 45 68.325 3.332 4.520 1.00 0.00 H new ATOM 0 HG13 VAL A 45 68.057 5.056 4.868 1.00 0.00 H new ATOM 0 HG21 VAL A 45 69.668 6.158 2.503 1.00 0.00 H new ATOM 0 HG22 VAL A 45 69.761 6.750 4.178 1.00 0.00 H new ATOM 0 HG23 VAL A 45 71.240 6.232 3.334 1.00 0.00 H new ATOM 646 N MET A 46 70.090 2.103 5.308 1.00 0.00 N ATOM 647 CA MET A 46 69.640 0.833 5.942 1.00 0.00 C ATOM 648 C MET A 46 70.451 0.565 7.213 1.00 0.00 C ATOM 649 O MET A 46 70.010 -0.126 8.109 1.00 0.00 O ATOM 650 CB MET A 46 69.902 -0.244 4.892 1.00 0.00 C ATOM 651 CG MET A 46 71.376 -0.216 4.482 1.00 0.00 C ATOM 652 SD MET A 46 71.581 -1.098 2.915 1.00 0.00 S ATOM 653 CE MET A 46 70.878 -2.678 3.449 1.00 0.00 C ATOM 0 H MET A 46 70.285 2.045 4.308 1.00 0.00 H new ATOM 0 HA MET A 46 68.591 0.862 6.238 1.00 0.00 H new ATOM 0 HB2 MET A 46 69.644 -1.225 5.291 1.00 0.00 H new ATOM 0 HB3 MET A 46 69.269 -0.078 4.021 1.00 0.00 H new ATOM 0 HG2 MET A 46 71.717 0.814 4.379 1.00 0.00 H new ATOM 0 HG3 MET A 46 71.989 -0.679 5.255 1.00 0.00 H new ATOM 0 HE1 MET A 46 71.361 -3.492 2.908 1.00 0.00 H new ATOM 0 HE2 MET A 46 71.041 -2.806 4.519 1.00 0.00 H new ATOM 0 HE3 MET A 46 69.808 -2.689 3.241 1.00 0.00 H new ATOM 663 N ARG A 47 71.633 1.115 7.299 1.00 0.00 N ATOM 664 CA ARG A 47 72.470 0.897 8.514 1.00 0.00 C ATOM 665 C ARG A 47 72.055 1.869 9.621 1.00 0.00 C ATOM 666 O ARG A 47 71.931 1.500 10.771 1.00 0.00 O ATOM 667 CB ARG A 47 73.904 1.177 8.064 1.00 0.00 C ATOM 668 CG ARG A 47 74.541 -0.117 7.557 1.00 0.00 C ATOM 669 CD ARG A 47 76.008 0.137 7.206 1.00 0.00 C ATOM 670 NE ARG A 47 76.717 -1.113 7.594 1.00 0.00 N ATOM 671 CZ ARG A 47 77.734 -1.061 8.410 1.00 0.00 C ATOM 672 NH1 ARG A 47 78.753 -0.292 8.135 1.00 0.00 N ATOM 673 NH2 ARG A 47 77.733 -1.774 9.502 1.00 0.00 N ATOM 0 H ARG A 47 72.054 1.705 6.581 1.00 0.00 H new ATOM 0 HA ARG A 47 72.360 -0.110 8.917 1.00 0.00 H new ATOM 0 HB2 ARG A 47 73.909 1.930 7.276 1.00 0.00 H new ATOM 0 HB3 ARG A 47 74.485 1.580 8.894 1.00 0.00 H new ATOM 0 HG2 ARG A 47 74.468 -0.893 8.319 1.00 0.00 H new ATOM 0 HG3 ARG A 47 74.004 -0.479 6.680 1.00 0.00 H new ATOM 0 HD2 ARG A 47 76.129 0.346 6.143 1.00 0.00 H new ATOM 0 HD3 ARG A 47 76.400 0.998 7.747 1.00 0.00 H new ATOM 0 HE ARG A 47 76.408 -2.011 7.222 1.00 0.00 H new ATOM 0 HH11 ARG A 47 78.754 0.268 7.282 1.00 0.00 H new ATOM 0 HH12 ARG A 47 79.548 -0.251 8.773 1.00 0.00 H new ATOM 0 HH21 ARG A 47 76.937 -2.373 9.719 1.00 0.00 H new ATOM 0 HH22 ARG A 47 78.529 -1.732 10.139 1.00 0.00 H new ATOM 687 N MET A 48 71.842 3.111 9.281 1.00 0.00 N ATOM 688 CA MET A 48 71.437 4.109 10.312 1.00 0.00 C ATOM 689 C MET A 48 70.001 3.843 10.774 1.00 0.00 C ATOM 690 O MET A 48 69.511 4.464 11.697 1.00 0.00 O ATOM 691 CB MET A 48 71.531 5.464 9.609 1.00 0.00 C ATOM 692 CG MET A 48 72.162 6.488 10.554 1.00 0.00 C ATOM 693 SD MET A 48 71.007 6.860 11.897 1.00 0.00 S ATOM 694 CE MET A 48 71.845 5.907 13.187 1.00 0.00 C ATOM 0 H MET A 48 71.931 3.478 8.333 1.00 0.00 H new ATOM 0 HA MET A 48 72.068 4.064 11.199 1.00 0.00 H new ATOM 0 HB2 MET A 48 72.129 5.374 8.702 1.00 0.00 H new ATOM 0 HB3 MET A 48 70.539 5.797 9.305 1.00 0.00 H new ATOM 0 HG2 MET A 48 73.095 6.098 10.960 1.00 0.00 H new ATOM 0 HG3 MET A 48 72.408 7.399 10.009 1.00 0.00 H new ATOM 0 HE1 MET A 48 71.850 6.478 14.116 1.00 0.00 H new ATOM 0 HE2 MET A 48 71.319 4.965 13.343 1.00 0.00 H new ATOM 0 HE3 MET A 48 72.871 5.704 12.881 1.00 0.00 H new ATOM 704 N LEU A 49 69.322 2.928 10.138 1.00 0.00 N ATOM 705 CA LEU A 49 67.919 2.628 10.543 1.00 0.00 C ATOM 706 C LEU A 49 67.903 1.657 11.727 1.00 0.00 C ATOM 707 O LEU A 49 67.088 1.766 12.621 1.00 0.00 O ATOM 708 CB LEU A 49 67.278 1.986 9.312 1.00 0.00 C ATOM 709 CG LEU A 49 66.571 3.063 8.487 1.00 0.00 C ATOM 710 CD1 LEU A 49 66.349 2.554 7.061 1.00 0.00 C ATOM 711 CD2 LEU A 49 65.221 3.388 9.126 1.00 0.00 C ATOM 0 H LEU A 49 69.677 2.376 9.357 1.00 0.00 H new ATOM 0 HA LEU A 49 67.383 3.522 10.861 1.00 0.00 H new ATOM 0 HB2 LEU A 49 68.039 1.491 8.709 1.00 0.00 H new ATOM 0 HB3 LEU A 49 66.565 1.220 9.617 1.00 0.00 H new ATOM 0 HG LEU A 49 67.188 3.961 8.459 1.00 0.00 H new ATOM 0 HD11 LEU A 49 65.845 3.322 6.475 1.00 0.00 H new ATOM 0 HD12 LEU A 49 67.311 2.321 6.604 1.00 0.00 H new ATOM 0 HD13 LEU A 49 65.733 1.655 7.087 1.00 0.00 H new ATOM 0 HD21 LEU A 49 64.716 4.155 8.539 1.00 0.00 H new ATOM 0 HD22 LEU A 49 64.606 2.489 9.154 1.00 0.00 H new ATOM 0 HD23 LEU A 49 65.377 3.752 10.141 1.00 0.00 H new ATOM 723 N GLY A 50 68.799 0.708 11.742 1.00 0.00 N ATOM 724 CA GLY A 50 68.834 -0.266 12.870 1.00 0.00 C ATOM 725 C GLY A 50 69.312 -1.627 12.361 1.00 0.00 C ATOM 726 O GLY A 50 69.664 -2.498 13.132 1.00 0.00 O ATOM 0 H GLY A 50 69.508 0.565 11.023 1.00 0.00 H new ATOM 0 HA2 GLY A 50 69.500 0.094 13.654 1.00 0.00 H new ATOM 0 HA3 GLY A 50 67.842 -0.360 13.313 1.00 0.00 H new ATOM 730 N GLN A 51 69.328 -1.819 11.071 1.00 0.00 N ATOM 731 CA GLN A 51 69.784 -3.127 10.518 1.00 0.00 C ATOM 732 C GLN A 51 71.290 -3.086 10.244 1.00 0.00 C ATOM 733 O GLN A 51 71.979 -2.172 10.651 1.00 0.00 O ATOM 734 CB GLN A 51 69.004 -3.308 9.213 1.00 0.00 C ATOM 735 CG GLN A 51 67.546 -2.892 9.423 1.00 0.00 C ATOM 736 CD GLN A 51 67.002 -3.552 10.692 1.00 0.00 C ATOM 737 OE1 GLN A 51 66.815 -4.752 10.735 1.00 0.00 O ATOM 738 NE2 GLN A 51 66.740 -2.813 11.736 1.00 0.00 N ATOM 0 H GLN A 51 69.046 -1.128 10.376 1.00 0.00 H new ATOM 0 HA GLN A 51 69.608 -3.950 11.210 1.00 0.00 H new ATOM 0 HB2 GLN A 51 69.454 -2.707 8.423 1.00 0.00 H new ATOM 0 HB3 GLN A 51 69.053 -4.348 8.890 1.00 0.00 H new ATOM 0 HG2 GLN A 51 67.475 -1.807 9.506 1.00 0.00 H new ATOM 0 HG3 GLN A 51 66.946 -3.186 8.562 1.00 0.00 H new ATOM 0 HE21 GLN A 51 66.897 -1.806 11.700 1.00 0.00 H new ATOM 0 HE22 GLN A 51 66.378 -3.243 12.587 1.00 0.00 H new ATOM 747 N ASN A 52 71.809 -4.069 9.558 1.00 0.00 N ATOM 748 CA ASN A 52 73.271 -4.081 9.263 1.00 0.00 C ATOM 749 C ASN A 52 73.569 -5.005 8.079 1.00 0.00 C ATOM 750 O ASN A 52 73.758 -6.193 8.250 1.00 0.00 O ATOM 751 CB ASN A 52 73.924 -4.618 10.537 1.00 0.00 C ATOM 752 CG ASN A 52 75.388 -4.965 10.255 1.00 0.00 C ATOM 753 OD1 ASN A 52 75.950 -4.524 9.272 1.00 0.00 O ATOM 754 ND2 ASN A 52 76.033 -5.742 11.081 1.00 0.00 N ATOM 0 H ASN A 52 71.285 -4.863 9.190 1.00 0.00 H new ATOM 0 HA ASN A 52 73.645 -3.093 8.994 1.00 0.00 H new ATOM 0 HB2 ASN A 52 73.862 -3.874 11.331 1.00 0.00 H new ATOM 0 HB3 ASN A 52 73.391 -5.502 10.887 1.00 0.00 H new ATOM 0 HD21 ASN A 52 77.009 -5.979 10.902 1.00 0.00 H new ATOM 0 HD22 ASN A 52 75.562 -6.112 11.906 1.00 0.00 H new ATOM 761 N PRO A 53 73.604 -4.422 6.912 1.00 0.00 N ATOM 762 CA PRO A 53 73.883 -5.200 5.681 1.00 0.00 C ATOM 763 C PRO A 53 75.366 -5.572 5.610 1.00 0.00 C ATOM 764 O PRO A 53 76.233 -4.754 5.848 1.00 0.00 O ATOM 765 CB PRO A 53 73.517 -4.235 4.557 1.00 0.00 C ATOM 766 CG PRO A 53 73.661 -2.870 5.154 1.00 0.00 C ATOM 767 CD PRO A 53 73.386 -2.999 6.631 1.00 0.00 C ATOM 0 HA PRO A 53 73.328 -6.137 5.633 1.00 0.00 H new ATOM 0 HB2 PRO A 53 74.176 -4.361 3.698 1.00 0.00 H new ATOM 0 HB3 PRO A 53 72.500 -4.406 4.206 1.00 0.00 H new ATOM 0 HG2 PRO A 53 74.664 -2.478 4.982 1.00 0.00 H new ATOM 0 HG3 PRO A 53 72.963 -2.172 4.692 1.00 0.00 H new ATOM 0 HD2 PRO A 53 74.055 -2.370 7.218 1.00 0.00 H new ATOM 0 HD3 PRO A 53 72.368 -2.696 6.875 1.00 0.00 H new ATOM 775 N THR A 54 75.667 -6.799 5.284 1.00 0.00 N ATOM 776 CA THR A 54 77.096 -7.214 5.197 1.00 0.00 C ATOM 777 C THR A 54 77.729 -6.642 3.926 1.00 0.00 C ATOM 778 O THR A 54 77.119 -6.617 2.876 1.00 0.00 O ATOM 779 CB THR A 54 77.066 -8.742 5.142 1.00 0.00 C ATOM 780 OG1 THR A 54 76.047 -9.161 4.244 1.00 0.00 O ATOM 781 CG2 THR A 54 76.782 -9.300 6.537 1.00 0.00 C ATOM 0 H THR A 54 74.988 -7.530 5.075 1.00 0.00 H new ATOM 0 HA THR A 54 77.685 -6.852 6.040 1.00 0.00 H new ATOM 0 HB THR A 54 78.031 -9.113 4.796 1.00 0.00 H new ATOM 0 HG1 THR A 54 76.027 -10.140 4.206 1.00 0.00 H new ATOM 0 HG21 THR A 54 76.761 -10.389 6.496 1.00 0.00 H new ATOM 0 HG22 THR A 54 77.565 -8.978 7.224 1.00 0.00 H new ATOM 0 HG23 THR A 54 75.818 -8.931 6.887 1.00 0.00 H new ATOM 789 N LYS A 55 78.945 -6.178 4.014 1.00 0.00 N ATOM 790 CA LYS A 55 79.610 -5.606 2.808 1.00 0.00 C ATOM 791 C LYS A 55 79.358 -6.499 1.591 1.00 0.00 C ATOM 792 O LYS A 55 79.156 -6.022 0.492 1.00 0.00 O ATOM 793 CB LYS A 55 81.099 -5.572 3.154 1.00 0.00 C ATOM 794 CG LYS A 55 81.783 -4.469 2.343 1.00 0.00 C ATOM 795 CD LYS A 55 82.964 -3.906 3.136 1.00 0.00 C ATOM 796 CE LYS A 55 82.929 -2.378 3.090 1.00 0.00 C ATOM 797 NZ LYS A 55 81.764 -1.993 3.934 1.00 0.00 N ATOM 0 H LYS A 55 79.506 -6.170 4.866 1.00 0.00 H new ATOM 0 HA LYS A 55 79.229 -4.616 2.557 1.00 0.00 H new ATOM 0 HB2 LYS A 55 81.232 -5.390 4.221 1.00 0.00 H new ATOM 0 HB3 LYS A 55 81.557 -6.537 2.935 1.00 0.00 H new ATOM 0 HG2 LYS A 55 82.129 -4.867 1.389 1.00 0.00 H new ATOM 0 HG3 LYS A 55 81.071 -3.675 2.118 1.00 0.00 H new ATOM 0 HD2 LYS A 55 82.919 -4.250 4.169 1.00 0.00 H new ATOM 0 HD3 LYS A 55 83.903 -4.271 2.719 1.00 0.00 H new ATOM 0 HE2 LYS A 55 83.854 -1.950 3.476 1.00 0.00 H new ATOM 0 HE3 LYS A 55 82.813 -2.017 2.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 81.056 -1.507 3.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 81.341 -2.846 4.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 82.081 -1.357 4.693 1.00 0.00 H new ATOM 811 N GLU A 56 79.367 -7.791 1.777 1.00 0.00 N ATOM 812 CA GLU A 56 79.126 -8.710 0.629 1.00 0.00 C ATOM 813 C GLU A 56 77.695 -8.543 0.111 1.00 0.00 C ATOM 814 O GLU A 56 77.394 -8.859 -1.023 1.00 0.00 O ATOM 815 CB GLU A 56 79.332 -10.115 1.194 1.00 0.00 C ATOM 816 CG GLU A 56 80.829 -10.414 1.290 1.00 0.00 C ATOM 817 CD GLU A 56 81.372 -10.755 -0.100 1.00 0.00 C ATOM 818 OE1 GLU A 56 80.609 -11.268 -0.902 1.00 0.00 O ATOM 819 OE2 GLU A 56 82.540 -10.497 -0.337 1.00 0.00 O ATOM 0 H GLU A 56 79.531 -8.249 2.673 1.00 0.00 H new ATOM 0 HA GLU A 56 79.793 -8.508 -0.209 1.00 0.00 H new ATOM 0 HB2 GLU A 56 78.871 -10.193 2.179 1.00 0.00 H new ATOM 0 HB3 GLU A 56 78.844 -10.850 0.554 1.00 0.00 H new ATOM 0 HG2 GLU A 56 81.357 -9.552 1.697 1.00 0.00 H new ATOM 0 HG3 GLU A 56 81.001 -11.245 1.973 1.00 0.00 H new ATOM 826 N GLU A 57 76.810 -8.050 0.933 1.00 0.00 N ATOM 827 CA GLU A 57 75.400 -7.864 0.487 1.00 0.00 C ATOM 828 C GLU A 57 75.262 -6.560 -0.304 1.00 0.00 C ATOM 829 O GLU A 57 74.623 -6.513 -1.336 1.00 0.00 O ATOM 830 CB GLU A 57 74.580 -7.799 1.776 1.00 0.00 C ATOM 831 CG GLU A 57 74.043 -9.192 2.111 1.00 0.00 C ATOM 832 CD GLU A 57 72.611 -9.326 1.590 1.00 0.00 C ATOM 833 OE1 GLU A 57 72.452 -9.542 0.400 1.00 0.00 O ATOM 834 OE2 GLU A 57 71.698 -9.212 2.391 1.00 0.00 O ATOM 0 H GLU A 57 77.002 -7.768 1.894 1.00 0.00 H new ATOM 0 HA GLU A 57 75.066 -8.669 -0.168 1.00 0.00 H new ATOM 0 HB2 GLU A 57 75.198 -7.430 2.594 1.00 0.00 H new ATOM 0 HB3 GLU A 57 73.754 -7.098 1.659 1.00 0.00 H new ATOM 0 HG2 GLU A 57 74.678 -9.956 1.662 1.00 0.00 H new ATOM 0 HG3 GLU A 57 74.066 -9.353 3.189 1.00 0.00 H new ATOM 841 N LEU A 58 75.861 -5.501 0.171 1.00 0.00 N ATOM 842 CA LEU A 58 75.765 -4.203 -0.558 1.00 0.00 C ATOM 843 C LEU A 58 76.438 -4.320 -1.928 1.00 0.00 C ATOM 844 O LEU A 58 75.890 -3.918 -2.936 1.00 0.00 O ATOM 845 CB LEU A 58 76.505 -3.195 0.324 1.00 0.00 C ATOM 846 CG LEU A 58 75.939 -3.242 1.745 1.00 0.00 C ATOM 847 CD1 LEU A 58 76.451 -2.038 2.539 1.00 0.00 C ATOM 848 CD2 LEU A 58 74.410 -3.200 1.687 1.00 0.00 C ATOM 0 H LEU A 58 76.411 -5.478 1.030 1.00 0.00 H new ATOM 0 HA LEU A 58 74.733 -3.902 -0.736 1.00 0.00 H new ATOM 0 HB2 LEU A 58 77.571 -3.423 0.339 1.00 0.00 H new ATOM 0 HB3 LEU A 58 76.400 -2.191 -0.087 1.00 0.00 H new ATOM 0 HG LEU A 58 76.260 -4.162 2.233 1.00 0.00 H new ATOM 0 HD11 LEU A 58 76.048 -2.072 3.551 1.00 0.00 H new ATOM 0 HD12 LEU A 58 77.540 -2.066 2.581 1.00 0.00 H new ATOM 0 HD13 LEU A 58 76.131 -1.117 2.051 1.00 0.00 H new ATOM 0 HD21 LEU A 58 74.006 -3.233 2.699 1.00 0.00 H new ATOM 0 HD22 LEU A 58 74.090 -2.280 1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 58 74.044 -4.057 1.122 1.00 0.00 H new ATOM 860 N ASP A 59 77.621 -4.871 -1.975 1.00 0.00 N ATOM 861 CA ASP A 59 78.325 -5.017 -3.282 1.00 0.00 C ATOM 862 C ASP A 59 77.426 -5.744 -4.284 1.00 0.00 C ATOM 863 O ASP A 59 77.469 -5.490 -5.472 1.00 0.00 O ATOM 864 CB ASP A 59 79.567 -5.855 -2.973 1.00 0.00 C ATOM 865 CG ASP A 59 80.740 -4.930 -2.645 1.00 0.00 C ATOM 866 OD1 ASP A 59 81.072 -4.107 -3.483 1.00 0.00 O ATOM 867 OD2 ASP A 59 81.287 -5.061 -1.563 1.00 0.00 O ATOM 0 H ASP A 59 78.130 -5.226 -1.166 1.00 0.00 H new ATOM 0 HA ASP A 59 78.583 -4.054 -3.723 1.00 0.00 H new ATOM 0 HB2 ASP A 59 79.369 -6.521 -2.133 1.00 0.00 H new ATOM 0 HB3 ASP A 59 79.815 -6.485 -3.827 1.00 0.00 H new ATOM 872 N ALA A 60 76.610 -6.648 -3.813 1.00 0.00 N ATOM 873 CA ALA A 60 75.708 -7.393 -4.735 1.00 0.00 C ATOM 874 C ALA A 60 74.492 -6.534 -5.094 1.00 0.00 C ATOM 875 O ALA A 60 74.168 -6.353 -6.251 1.00 0.00 O ATOM 876 CB ALA A 60 75.278 -8.632 -3.949 1.00 0.00 C ATOM 0 H ALA A 60 76.530 -6.902 -2.828 1.00 0.00 H new ATOM 0 HA ALA A 60 76.198 -7.655 -5.673 1.00 0.00 H new ATOM 0 HB1 ALA A 60 74.609 -9.237 -4.561 1.00 0.00 H new ATOM 0 HB2 ALA A 60 76.158 -9.219 -3.685 1.00 0.00 H new ATOM 0 HB3 ALA A 60 74.760 -8.325 -3.040 1.00 0.00 H new ATOM 882 N ILE A 61 73.817 -6.002 -4.112 1.00 0.00 N ATOM 883 CA ILE A 61 72.624 -5.156 -4.400 1.00 0.00 C ATOM 884 C ILE A 61 73.055 -3.832 -5.037 1.00 0.00 C ATOM 885 O ILE A 61 72.427 -3.340 -5.953 1.00 0.00 O ATOM 886 CB ILE A 61 71.973 -4.910 -3.039 1.00 0.00 C ATOM 887 CG1 ILE A 61 71.351 -6.212 -2.529 1.00 0.00 C ATOM 888 CG2 ILE A 61 70.883 -3.847 -3.178 1.00 0.00 C ATOM 889 CD1 ILE A 61 72.000 -6.602 -1.201 1.00 0.00 C ATOM 0 H ILE A 61 74.040 -6.116 -3.123 1.00 0.00 H new ATOM 0 HA ILE A 61 71.938 -5.635 -5.098 1.00 0.00 H new ATOM 0 HB ILE A 61 72.729 -4.565 -2.333 1.00 0.00 H new ATOM 0 HG12 ILE A 61 70.276 -6.087 -2.398 1.00 0.00 H new ATOM 0 HG13 ILE A 61 71.492 -7.006 -3.262 1.00 0.00 H new ATOM 0 HG21 ILE A 61 70.419 -3.672 -2.207 1.00 0.00 H new ATOM 0 HG22 ILE A 61 71.324 -2.919 -3.542 1.00 0.00 H new ATOM 0 HG23 ILE A 61 70.127 -4.191 -3.884 1.00 0.00 H new ATOM 0 HD11 ILE A 61 71.557 -7.529 -0.838 1.00 0.00 H new ATOM 0 HD12 ILE A 61 73.071 -6.744 -1.347 1.00 0.00 H new ATOM 0 HD13 ILE A 61 71.836 -5.811 -0.470 1.00 0.00 H new ATOM 901 N ILE A 62 74.123 -3.252 -4.561 1.00 0.00 N ATOM 902 CA ILE A 62 74.590 -1.962 -5.146 1.00 0.00 C ATOM 903 C ILE A 62 74.757 -2.100 -6.661 1.00 0.00 C ATOM 904 O ILE A 62 74.042 -1.490 -7.429 1.00 0.00 O ATOM 905 CB ILE A 62 75.938 -1.685 -4.481 1.00 0.00 C ATOM 906 CG1 ILE A 62 75.713 -1.203 -3.046 1.00 0.00 C ATOM 907 CG2 ILE A 62 76.683 -0.605 -5.268 1.00 0.00 C ATOM 908 CD1 ILE A 62 77.060 -0.874 -2.401 1.00 0.00 C ATOM 0 H ILE A 62 74.691 -3.614 -3.795 1.00 0.00 H new ATOM 0 HA ILE A 62 73.881 -1.152 -4.976 1.00 0.00 H new ATOM 0 HB ILE A 62 76.529 -2.601 -4.468 1.00 0.00 H new ATOM 0 HG12 ILE A 62 75.072 -0.322 -3.044 1.00 0.00 H new ATOM 0 HG13 ILE A 62 75.200 -1.972 -2.469 1.00 0.00 H new ATOM 0 HG21 ILE A 62 77.644 -0.407 -4.794 1.00 0.00 H new ATOM 0 HG22 ILE A 62 76.846 -0.947 -6.290 1.00 0.00 H new ATOM 0 HG23 ILE A 62 76.090 0.310 -5.281 1.00 0.00 H new ATOM 0 HD11 ILE A 62 76.900 -0.531 -1.379 1.00 0.00 H new ATOM 0 HD12 ILE A 62 77.686 -1.766 -2.390 1.00 0.00 H new ATOM 0 HD13 ILE A 62 77.556 -0.090 -2.974 1.00 0.00 H new ATOM 920 N GLU A 63 75.696 -2.900 -7.095 1.00 0.00 N ATOM 921 CA GLU A 63 75.908 -3.078 -8.563 1.00 0.00 C ATOM 922 C GLU A 63 74.559 -3.180 -9.278 1.00 0.00 C ATOM 923 O GLU A 63 74.345 -2.579 -10.311 1.00 0.00 O ATOM 924 CB GLU A 63 76.688 -4.385 -8.697 1.00 0.00 C ATOM 925 CG GLU A 63 77.087 -4.594 -10.160 1.00 0.00 C ATOM 926 CD GLU A 63 77.157 -6.092 -10.462 1.00 0.00 C ATOM 927 OE1 GLU A 63 76.246 -6.799 -10.065 1.00 0.00 O ATOM 928 OE2 GLU A 63 78.121 -6.506 -11.084 1.00 0.00 O ATOM 0 H GLU A 63 76.325 -3.437 -6.498 1.00 0.00 H new ATOM 0 HA GLU A 63 76.443 -2.240 -9.009 1.00 0.00 H new ATOM 0 HB2 GLU A 63 77.577 -4.356 -8.067 1.00 0.00 H new ATOM 0 HB3 GLU A 63 76.080 -5.221 -8.352 1.00 0.00 H new ATOM 0 HG2 GLU A 63 76.363 -4.113 -10.818 1.00 0.00 H new ATOM 0 HG3 GLU A 63 78.053 -4.128 -10.355 1.00 0.00 H new ATOM 935 N GLU A 64 73.644 -3.931 -8.729 1.00 0.00 N ATOM 936 CA GLU A 64 72.306 -4.063 -9.372 1.00 0.00 C ATOM 937 C GLU A 64 71.660 -2.682 -9.500 1.00 0.00 C ATOM 938 O GLU A 64 71.203 -2.291 -10.557 1.00 0.00 O ATOM 939 CB GLU A 64 71.501 -4.957 -8.423 1.00 0.00 C ATOM 940 CG GLU A 64 70.001 -4.754 -8.663 1.00 0.00 C ATOM 941 CD GLU A 64 69.253 -6.052 -8.354 1.00 0.00 C ATOM 942 OE1 GLU A 64 68.942 -6.271 -7.195 1.00 0.00 O ATOM 943 OE2 GLU A 64 69.003 -6.803 -9.281 1.00 0.00 O ATOM 0 H GLU A 64 73.765 -4.458 -7.864 1.00 0.00 H new ATOM 0 HA GLU A 64 72.358 -4.486 -10.375 1.00 0.00 H new ATOM 0 HB2 GLU A 64 71.766 -6.002 -8.582 1.00 0.00 H new ATOM 0 HB3 GLU A 64 71.748 -4.720 -7.388 1.00 0.00 H new ATOM 0 HG2 GLU A 64 69.627 -3.948 -8.032 1.00 0.00 H new ATOM 0 HG3 GLU A 64 69.824 -4.458 -9.697 1.00 0.00 H new ATOM 950 N VAL A 65 71.619 -1.939 -8.428 1.00 0.00 N ATOM 951 CA VAL A 65 71.006 -0.583 -8.481 1.00 0.00 C ATOM 952 C VAL A 65 72.025 0.436 -8.999 1.00 0.00 C ATOM 953 O VAL A 65 71.700 1.578 -9.257 1.00 0.00 O ATOM 954 CB VAL A 65 70.614 -0.270 -7.036 1.00 0.00 C ATOM 955 CG1 VAL A 65 69.900 -1.476 -6.425 1.00 0.00 C ATOM 956 CG2 VAL A 65 71.873 0.041 -6.223 1.00 0.00 C ATOM 0 H VAL A 65 71.985 -2.214 -7.516 1.00 0.00 H new ATOM 0 HA VAL A 65 70.148 -0.541 -9.152 1.00 0.00 H new ATOM 0 HB VAL A 65 69.947 0.592 -7.021 1.00 0.00 H new ATOM 0 HG11 VAL A 65 69.622 -1.251 -5.395 1.00 0.00 H new ATOM 0 HG12 VAL A 65 69.003 -1.699 -7.003 1.00 0.00 H new ATOM 0 HG13 VAL A 65 70.566 -2.339 -6.440 1.00 0.00 H new ATOM 0 HG21 VAL A 65 71.595 0.264 -5.193 1.00 0.00 H new ATOM 0 HG22 VAL A 65 72.539 -0.821 -6.240 1.00 0.00 H new ATOM 0 HG23 VAL A 65 72.382 0.902 -6.656 1.00 0.00 H new ATOM 966 N ASP A 66 73.257 0.031 -9.152 1.00 0.00 N ATOM 967 CA ASP A 66 74.297 0.974 -9.653 1.00 0.00 C ATOM 968 C ASP A 66 74.554 0.729 -11.141 1.00 0.00 C ATOM 969 O ASP A 66 75.551 0.146 -11.521 1.00 0.00 O ATOM 970 CB ASP A 66 75.548 0.661 -8.834 1.00 0.00 C ATOM 971 CG ASP A 66 76.262 1.964 -8.472 1.00 0.00 C ATOM 972 OD1 ASP A 66 75.869 2.996 -8.991 1.00 0.00 O ATOM 973 OD2 ASP A 66 77.190 1.910 -7.683 1.00 0.00 O ATOM 0 H ASP A 66 73.588 -0.913 -8.951 1.00 0.00 H new ATOM 0 HA ASP A 66 73.995 2.016 -9.548 1.00 0.00 H new ATOM 0 HB2 ASP A 66 75.276 0.119 -7.928 1.00 0.00 H new ATOM 0 HB3 ASP A 66 76.216 0.014 -9.403 1.00 0.00 H new ATOM 978 N GLU A 67 73.661 1.166 -11.986 1.00 0.00 N ATOM 979 CA GLU A 67 73.853 0.956 -13.450 1.00 0.00 C ATOM 980 C GLU A 67 75.177 1.575 -13.908 1.00 0.00 C ATOM 981 O GLU A 67 75.932 0.974 -14.646 1.00 0.00 O ATOM 982 CB GLU A 67 72.673 1.667 -14.112 1.00 0.00 C ATOM 983 CG GLU A 67 71.437 0.767 -14.054 1.00 0.00 C ATOM 984 CD GLU A 67 70.486 1.133 -15.195 1.00 0.00 C ATOM 985 OE1 GLU A 67 70.749 2.119 -15.865 1.00 0.00 O ATOM 986 OE2 GLU A 67 69.511 0.423 -15.379 1.00 0.00 O ATOM 0 H GLU A 67 72.807 1.659 -11.727 1.00 0.00 H new ATOM 0 HA GLU A 67 73.891 -0.102 -13.711 1.00 0.00 H new ATOM 0 HB2 GLU A 67 72.473 2.611 -13.605 1.00 0.00 H new ATOM 0 HB3 GLU A 67 72.914 1.906 -15.148 1.00 0.00 H new ATOM 0 HG2 GLU A 67 71.732 -0.279 -14.133 1.00 0.00 H new ATOM 0 HG3 GLU A 67 70.933 0.884 -13.095 1.00 0.00 H new ATOM 993 N ASP A 68 75.464 2.772 -13.476 1.00 0.00 N ATOM 994 CA ASP A 68 76.738 3.429 -13.889 1.00 0.00 C ATOM 995 C ASP A 68 77.819 3.213 -12.825 1.00 0.00 C ATOM 996 O ASP A 68 78.998 3.210 -13.117 1.00 0.00 O ATOM 997 CB ASP A 68 76.395 4.914 -14.011 1.00 0.00 C ATOM 998 CG ASP A 68 75.425 5.120 -15.176 1.00 0.00 C ATOM 999 OD1 ASP A 68 74.576 4.266 -15.371 1.00 0.00 O ATOM 1000 OD2 ASP A 68 75.549 6.127 -15.853 1.00 0.00 O ATOM 0 H ASP A 68 74.872 3.324 -12.855 1.00 0.00 H new ATOM 0 HA ASP A 68 77.128 3.021 -14.822 1.00 0.00 H new ATOM 0 HB2 ASP A 68 75.948 5.272 -13.084 1.00 0.00 H new ATOM 0 HB3 ASP A 68 77.303 5.496 -14.172 1.00 0.00 H new ATOM 1005 N GLY A 69 77.427 3.035 -11.593 1.00 0.00 N ATOM 1006 CA GLY A 69 78.434 2.822 -10.515 1.00 0.00 C ATOM 1007 C GLY A 69 78.547 4.088 -9.666 1.00 0.00 C ATOM 1008 O GLY A 69 78.978 4.050 -8.530 1.00 0.00 O ATOM 0 H GLY A 69 76.454 3.028 -11.287 1.00 0.00 H new ATOM 0 HA2 GLY A 69 78.141 1.978 -9.891 1.00 0.00 H new ATOM 0 HA3 GLY A 69 79.402 2.576 -10.951 1.00 0.00 H new ATOM 1012 N SER A 70 78.161 5.212 -10.205 1.00 0.00 N ATOM 1013 CA SER A 70 78.244 6.481 -9.428 1.00 0.00 C ATOM 1014 C SER A 70 76.856 7.111 -9.299 1.00 0.00 C ATOM 1015 O SER A 70 76.683 8.128 -8.657 1.00 0.00 O ATOM 1016 CB SER A 70 79.170 7.384 -10.240 1.00 0.00 C ATOM 1017 OG SER A 70 79.253 8.658 -9.614 1.00 0.00 O ATOM 0 H SER A 70 77.791 5.306 -11.151 1.00 0.00 H new ATOM 0 HA SER A 70 78.617 6.323 -8.416 1.00 0.00 H new ATOM 0 HB2 SER A 70 80.161 6.937 -10.312 1.00 0.00 H new ATOM 0 HB3 SER A 70 78.793 7.490 -11.257 1.00 0.00 H new ATOM 0 HG SER A 70 78.490 8.776 -9.010 1.00 0.00 H new ATOM 1023 N GLY A 71 75.865 6.512 -9.900 1.00 0.00 N ATOM 1024 CA GLY A 71 74.490 7.077 -9.807 1.00 0.00 C ATOM 1025 C GLY A 71 74.012 7.010 -8.356 1.00 0.00 C ATOM 1026 O GLY A 71 74.800 6.919 -7.436 1.00 0.00 O ATOM 0 H GLY A 71 75.948 5.657 -10.450 1.00 0.00 H new ATOM 0 HA2 GLY A 71 74.485 8.110 -10.156 1.00 0.00 H new ATOM 0 HA3 GLY A 71 73.811 6.519 -10.452 1.00 0.00 H new ATOM 1030 N THR A 72 72.726 7.054 -8.144 1.00 0.00 N ATOM 1031 CA THR A 72 72.198 6.994 -6.750 1.00 0.00 C ATOM 1032 C THR A 72 71.123 5.909 -6.636 1.00 0.00 C ATOM 1033 O THR A 72 70.824 5.216 -7.588 1.00 0.00 O ATOM 1034 CB THR A 72 71.595 8.376 -6.496 1.00 0.00 C ATOM 1035 OG1 THR A 72 70.622 8.656 -7.493 1.00 0.00 O ATOM 1036 CG2 THR A 72 72.698 9.433 -6.546 1.00 0.00 C ATOM 0 H THR A 72 72.018 7.129 -8.874 1.00 0.00 H new ATOM 0 HA THR A 72 72.974 6.748 -6.025 1.00 0.00 H new ATOM 0 HB THR A 72 71.124 8.393 -5.513 1.00 0.00 H new ATOM 0 HG1 THR A 72 70.478 9.624 -7.547 1.00 0.00 H new ATOM 0 HG21 THR A 72 72.267 10.418 -6.365 1.00 0.00 H new ATOM 0 HG22 THR A 72 73.444 9.217 -5.781 1.00 0.00 H new ATOM 0 HG23 THR A 72 73.171 9.419 -7.528 1.00 0.00 H new ATOM 1044 N ILE A 73 70.539 5.760 -5.479 1.00 0.00 N ATOM 1045 CA ILE A 73 69.482 4.723 -5.304 1.00 0.00 C ATOM 1046 C ILE A 73 68.131 5.391 -5.039 1.00 0.00 C ATOM 1047 O ILE A 73 68.032 6.327 -4.270 1.00 0.00 O ATOM 1048 CB ILE A 73 69.923 3.906 -4.089 1.00 0.00 C ATOM 1049 CG1 ILE A 73 68.983 2.711 -3.910 1.00 0.00 C ATOM 1050 CG2 ILE A 73 69.871 4.783 -2.836 1.00 0.00 C ATOM 1051 CD1 ILE A 73 69.315 1.640 -4.950 1.00 0.00 C ATOM 0 H ILE A 73 70.748 6.311 -4.647 1.00 0.00 H new ATOM 0 HA ILE A 73 69.363 4.100 -6.190 1.00 0.00 H new ATOM 0 HB ILE A 73 70.942 3.550 -4.243 1.00 0.00 H new ATOM 0 HG12 ILE A 73 69.086 2.301 -2.905 1.00 0.00 H new ATOM 0 HG13 ILE A 73 67.947 3.030 -4.020 1.00 0.00 H new ATOM 0 HG21 ILE A 73 70.185 4.200 -1.970 1.00 0.00 H new ATOM 0 HG22 ILE A 73 70.538 5.636 -2.961 1.00 0.00 H new ATOM 0 HG23 ILE A 73 68.852 5.139 -2.683 1.00 0.00 H new ATOM 0 HD11 ILE A 73 68.646 0.789 -4.823 1.00 0.00 H new ATOM 0 HD12 ILE A 73 69.190 2.053 -5.951 1.00 0.00 H new ATOM 0 HD13 ILE A 73 70.347 1.313 -4.819 1.00 0.00 H new ATOM 1063 N ASP A 74 67.090 4.920 -5.668 1.00 0.00 N ATOM 1064 CA ASP A 74 65.749 5.534 -5.446 1.00 0.00 C ATOM 1065 C ASP A 74 65.118 4.963 -4.174 1.00 0.00 C ATOM 1066 O ASP A 74 65.267 3.799 -3.865 1.00 0.00 O ATOM 1067 CB ASP A 74 64.927 5.147 -6.676 1.00 0.00 C ATOM 1068 CG ASP A 74 65.540 5.788 -7.922 1.00 0.00 C ATOM 1069 OD1 ASP A 74 66.745 5.686 -8.086 1.00 0.00 O ATOM 1070 OD2 ASP A 74 64.794 6.371 -8.692 1.00 0.00 O ATOM 0 H ASP A 74 67.109 4.139 -6.324 1.00 0.00 H new ATOM 0 HA ASP A 74 65.802 6.615 -5.319 1.00 0.00 H new ATOM 0 HB2 ASP A 74 64.905 4.063 -6.785 1.00 0.00 H new ATOM 0 HB3 ASP A 74 63.895 5.476 -6.555 1.00 0.00 H new ATOM 1075 N PHE A 75 64.416 5.774 -3.432 1.00 0.00 N ATOM 1076 CA PHE A 75 63.780 5.272 -2.180 1.00 0.00 C ATOM 1077 C PHE A 75 62.885 4.070 -2.488 1.00 0.00 C ATOM 1078 O PHE A 75 63.060 2.998 -1.944 1.00 0.00 O ATOM 1079 CB PHE A 75 62.950 6.443 -1.657 1.00 0.00 C ATOM 1080 CG PHE A 75 62.203 6.016 -0.416 1.00 0.00 C ATOM 1081 CD1 PHE A 75 61.030 5.262 -0.531 1.00 0.00 C ATOM 1082 CD2 PHE A 75 62.686 6.373 0.848 1.00 0.00 C ATOM 1083 CE1 PHE A 75 60.338 4.865 0.619 1.00 0.00 C ATOM 1084 CE2 PHE A 75 61.995 5.975 1.998 1.00 0.00 C ATOM 1085 CZ PHE A 75 60.820 5.223 1.884 1.00 0.00 C ATOM 0 H PHE A 75 64.255 6.760 -3.637 1.00 0.00 H new ATOM 0 HA PHE A 75 64.516 4.939 -1.448 1.00 0.00 H new ATOM 0 HB2 PHE A 75 63.598 7.290 -1.431 1.00 0.00 H new ATOM 0 HB3 PHE A 75 62.247 6.775 -2.421 1.00 0.00 H new ATOM 0 HD1 PHE A 75 60.659 4.986 -1.507 1.00 0.00 H new ATOM 0 HD2 PHE A 75 63.591 6.955 0.936 1.00 0.00 H new ATOM 0 HE1 PHE A 75 59.433 4.283 0.531 1.00 0.00 H new ATOM 0 HE2 PHE A 75 62.368 6.248 2.974 1.00 0.00 H new ATOM 0 HZ PHE A 75 60.285 4.919 2.772 1.00 0.00 H new ATOM 1095 N GLU A 76 61.927 4.236 -3.359 1.00 0.00 N ATOM 1096 CA GLU A 76 61.027 3.096 -3.699 1.00 0.00 C ATOM 1097 C GLU A 76 61.853 1.878 -4.120 1.00 0.00 C ATOM 1098 O GLU A 76 61.607 0.771 -3.685 1.00 0.00 O ATOM 1099 CB GLU A 76 60.169 3.598 -4.861 1.00 0.00 C ATOM 1100 CG GLU A 76 61.072 4.133 -5.974 1.00 0.00 C ATOM 1101 CD GLU A 76 60.357 5.268 -6.711 1.00 0.00 C ATOM 1102 OE1 GLU A 76 59.372 5.761 -6.186 1.00 0.00 O ATOM 1103 OE2 GLU A 76 60.808 5.626 -7.787 1.00 0.00 O ATOM 0 H GLU A 76 61.729 5.108 -3.849 1.00 0.00 H new ATOM 0 HA GLU A 76 60.416 2.784 -2.852 1.00 0.00 H new ATOM 0 HB2 GLU A 76 59.546 2.789 -5.242 1.00 0.00 H new ATOM 0 HB3 GLU A 76 59.496 4.383 -4.516 1.00 0.00 H new ATOM 0 HG2 GLU A 76 62.011 4.493 -5.553 1.00 0.00 H new ATOM 0 HG3 GLU A 76 61.321 3.333 -6.671 1.00 0.00 H new ATOM 1110 N GLU A 77 62.838 2.074 -4.954 1.00 0.00 N ATOM 1111 CA GLU A 77 63.681 0.923 -5.390 1.00 0.00 C ATOM 1112 C GLU A 77 64.619 0.512 -4.254 1.00 0.00 C ATOM 1113 O GLU A 77 65.019 -0.629 -4.145 1.00 0.00 O ATOM 1114 CB GLU A 77 64.481 1.446 -6.583 1.00 0.00 C ATOM 1115 CG GLU A 77 65.114 0.268 -7.327 1.00 0.00 C ATOM 1116 CD GLU A 77 64.504 0.161 -8.726 1.00 0.00 C ATOM 1117 OE1 GLU A 77 63.979 1.156 -9.200 1.00 0.00 O ATOM 1118 OE2 GLU A 77 64.571 -0.913 -9.300 1.00 0.00 O ATOM 0 H GLU A 77 63.095 2.978 -5.351 1.00 0.00 H new ATOM 0 HA GLU A 77 63.088 0.047 -5.654 1.00 0.00 H new ATOM 0 HB2 GLU A 77 63.830 2.006 -7.254 1.00 0.00 H new ATOM 0 HB3 GLU A 77 65.255 2.133 -6.242 1.00 0.00 H new ATOM 0 HG2 GLU A 77 66.193 0.407 -7.399 1.00 0.00 H new ATOM 0 HG3 GLU A 77 64.948 -0.657 -6.774 1.00 0.00 H new ATOM 1125 N PHE A 78 64.966 1.439 -3.404 1.00 0.00 N ATOM 1126 CA PHE A 78 65.872 1.112 -2.268 1.00 0.00 C ATOM 1127 C PHE A 78 65.104 0.322 -1.203 1.00 0.00 C ATOM 1128 O PHE A 78 65.682 -0.407 -0.421 1.00 0.00 O ATOM 1129 CB PHE A 78 66.326 2.477 -1.733 1.00 0.00 C ATOM 1130 CG PHE A 78 66.708 2.368 -0.274 1.00 0.00 C ATOM 1131 CD1 PHE A 78 67.822 1.611 0.105 1.00 0.00 C ATOM 1132 CD2 PHE A 78 65.946 3.029 0.697 1.00 0.00 C ATOM 1133 CE1 PHE A 78 68.174 1.514 1.457 1.00 0.00 C ATOM 1134 CE2 PHE A 78 66.298 2.932 2.047 1.00 0.00 C ATOM 1135 CZ PHE A 78 67.412 2.174 2.428 1.00 0.00 C ATOM 0 H PHE A 78 64.660 2.411 -3.448 1.00 0.00 H new ATOM 0 HA PHE A 78 66.720 0.493 -2.561 1.00 0.00 H new ATOM 0 HB2 PHE A 78 67.176 2.838 -2.312 1.00 0.00 H new ATOM 0 HB3 PHE A 78 65.525 3.207 -1.853 1.00 0.00 H new ATOM 0 HD1 PHE A 78 68.410 1.102 -0.644 1.00 0.00 H new ATOM 0 HD2 PHE A 78 65.087 3.614 0.404 1.00 0.00 H new ATOM 0 HE1 PHE A 78 69.034 0.930 1.750 1.00 0.00 H new ATOM 0 HE2 PHE A 78 65.710 3.442 2.796 1.00 0.00 H new ATOM 0 HZ PHE A 78 67.683 2.099 3.471 1.00 0.00 H new ATOM 1145 N LEU A 79 63.808 0.460 -1.169 1.00 0.00 N ATOM 1146 CA LEU A 79 63.008 -0.285 -0.155 1.00 0.00 C ATOM 1147 C LEU A 79 63.499 -1.730 -0.058 1.00 0.00 C ATOM 1148 O LEU A 79 63.567 -2.303 1.011 1.00 0.00 O ATOM 1149 CB LEU A 79 61.570 -0.242 -0.672 1.00 0.00 C ATOM 1150 CG LEU A 79 60.759 0.755 0.155 1.00 0.00 C ATOM 1151 CD1 LEU A 79 60.788 0.342 1.628 1.00 0.00 C ATOM 1152 CD2 LEU A 79 61.365 2.152 0.005 1.00 0.00 C ATOM 0 H LEU A 79 63.268 1.055 -1.798 1.00 0.00 H new ATOM 0 HA LEU A 79 63.095 0.150 0.841 1.00 0.00 H new ATOM 0 HB2 LEU A 79 61.559 0.047 -1.723 1.00 0.00 H new ATOM 0 HB3 LEU A 79 61.120 -1.233 -0.609 1.00 0.00 H new ATOM 0 HG LEU A 79 59.728 0.765 -0.198 1.00 0.00 H new ATOM 0 HD11 LEU A 79 60.209 1.054 2.217 1.00 0.00 H new ATOM 0 HD12 LEU A 79 60.357 -0.653 1.735 1.00 0.00 H new ATOM 0 HD13 LEU A 79 61.819 0.331 1.983 1.00 0.00 H new ATOM 0 HD21 LEU A 79 60.788 2.864 0.594 1.00 0.00 H new ATOM 0 HD22 LEU A 79 62.396 2.141 0.358 1.00 0.00 H new ATOM 0 HD23 LEU A 79 61.343 2.447 -1.044 1.00 0.00 H new ATOM 1164 N VAL A 80 63.841 -2.326 -1.168 1.00 0.00 N ATOM 1165 CA VAL A 80 64.325 -3.735 -1.138 1.00 0.00 C ATOM 1166 C VAL A 80 65.515 -3.866 -0.185 1.00 0.00 C ATOM 1167 O VAL A 80 65.609 -4.806 0.578 1.00 0.00 O ATOM 1168 CB VAL A 80 64.750 -4.040 -2.574 1.00 0.00 C ATOM 1169 CG1 VAL A 80 63.524 -3.997 -3.489 1.00 0.00 C ATOM 1170 CG2 VAL A 80 65.766 -2.994 -3.037 1.00 0.00 C ATOM 0 H VAL A 80 63.806 -1.898 -2.093 1.00 0.00 H new ATOM 0 HA VAL A 80 63.560 -4.426 -0.785 1.00 0.00 H new ATOM 0 HB VAL A 80 65.201 -5.031 -2.617 1.00 0.00 H new ATOM 0 HG11 VAL A 80 63.827 -4.214 -4.513 1.00 0.00 H new ATOM 0 HG12 VAL A 80 62.798 -4.740 -3.160 1.00 0.00 H new ATOM 0 HG13 VAL A 80 63.073 -3.006 -3.447 1.00 0.00 H new ATOM 0 HG21 VAL A 80 66.070 -3.210 -4.061 1.00 0.00 H new ATOM 0 HG22 VAL A 80 65.313 -2.003 -2.994 1.00 0.00 H new ATOM 0 HG23 VAL A 80 66.640 -3.022 -2.386 1.00 0.00 H new ATOM 1180 N MET A 81 66.425 -2.932 -0.218 1.00 0.00 N ATOM 1181 CA MET A 81 67.603 -3.014 0.690 1.00 0.00 C ATOM 1182 C MET A 81 67.141 -2.960 2.147 1.00 0.00 C ATOM 1183 O MET A 81 67.808 -3.443 3.041 1.00 0.00 O ATOM 1184 CB MET A 81 68.454 -1.791 0.348 1.00 0.00 C ATOM 1185 CG MET A 81 69.338 -2.105 -0.862 1.00 0.00 C ATOM 1186 SD MET A 81 70.988 -2.586 -0.295 1.00 0.00 S ATOM 1187 CE MET A 81 70.584 -4.292 0.154 1.00 0.00 C ATOM 0 H MET A 81 66.404 -2.118 -0.832 1.00 0.00 H new ATOM 0 HA MET A 81 68.162 -3.942 0.566 1.00 0.00 H new ATOM 0 HB2 MET A 81 67.812 -0.937 0.131 1.00 0.00 H new ATOM 0 HB3 MET A 81 69.073 -1.515 1.202 1.00 0.00 H new ATOM 0 HG2 MET A 81 68.895 -2.909 -1.450 1.00 0.00 H new ATOM 0 HG3 MET A 81 69.405 -1.233 -1.513 1.00 0.00 H new ATOM 0 HE1 MET A 81 71.498 -4.884 0.194 1.00 0.00 H new ATOM 0 HE2 MET A 81 70.100 -4.306 1.130 1.00 0.00 H new ATOM 0 HE3 MET A 81 69.910 -4.715 -0.591 1.00 0.00 H new ATOM 1197 N MET A 82 66.003 -2.373 2.392 1.00 0.00 N ATOM 1198 CA MET A 82 65.492 -2.282 3.789 1.00 0.00 C ATOM 1199 C MET A 82 64.728 -3.553 4.170 1.00 0.00 C ATOM 1200 O MET A 82 65.096 -4.255 5.091 1.00 0.00 O ATOM 1201 CB MET A 82 64.550 -1.080 3.785 1.00 0.00 C ATOM 1202 CG MET A 82 65.305 0.157 3.300 1.00 0.00 C ATOM 1203 SD MET A 82 64.687 1.616 4.176 1.00 0.00 S ATOM 1204 CE MET A 82 63.399 2.065 2.986 1.00 0.00 C ATOM 0 H MET A 82 65.403 -1.951 1.683 1.00 0.00 H new ATOM 0 HA MET A 82 66.300 -2.173 4.512 1.00 0.00 H new ATOM 0 HB2 MET A 82 63.696 -1.276 3.136 1.00 0.00 H new ATOM 0 HB3 MET A 82 64.156 -0.909 4.787 1.00 0.00 H new ATOM 0 HG2 MET A 82 66.374 0.038 3.477 1.00 0.00 H new ATOM 0 HG3 MET A 82 65.172 0.280 2.225 1.00 0.00 H new ATOM 0 HE1 MET A 82 63.300 3.150 2.949 1.00 0.00 H new ATOM 0 HE2 MET A 82 63.670 1.692 1.998 1.00 0.00 H new ATOM 0 HE3 MET A 82 62.451 1.624 3.293 1.00 0.00 H new ATOM 1214 N VAL A 83 63.663 -3.849 3.476 1.00 0.00 N ATOM 1215 CA VAL A 83 62.873 -5.069 3.811 1.00 0.00 C ATOM 1216 C VAL A 83 63.743 -6.321 3.697 1.00 0.00 C ATOM 1217 O VAL A 83 63.700 -7.194 4.539 1.00 0.00 O ATOM 1218 CB VAL A 83 61.736 -5.116 2.787 1.00 0.00 C ATOM 1219 CG1 VAL A 83 61.102 -3.730 2.655 1.00 0.00 C ATOM 1220 CG2 VAL A 83 62.286 -5.556 1.428 1.00 0.00 C ATOM 0 H VAL A 83 63.306 -3.301 2.693 1.00 0.00 H new ATOM 0 HA VAL A 83 62.497 -5.036 4.834 1.00 0.00 H new ATOM 0 HB VAL A 83 60.982 -5.828 3.122 1.00 0.00 H new ATOM 0 HG11 VAL A 83 60.293 -3.768 1.925 1.00 0.00 H new ATOM 0 HG12 VAL A 83 60.705 -3.418 3.621 1.00 0.00 H new ATOM 0 HG13 VAL A 83 61.856 -3.015 2.325 1.00 0.00 H new ATOM 0 HG21 VAL A 83 61.475 -5.589 0.701 1.00 0.00 H new ATOM 0 HG22 VAL A 83 63.044 -4.847 1.095 1.00 0.00 H new ATOM 0 HG23 VAL A 83 62.732 -6.546 1.519 1.00 0.00 H new ATOM 1230 N ARG A 84 64.526 -6.419 2.658 1.00 0.00 N ATOM 1231 CA ARG A 84 65.390 -7.622 2.488 1.00 0.00 C ATOM 1232 C ARG A 84 66.350 -7.765 3.671 1.00 0.00 C ATOM 1233 O ARG A 84 66.710 -8.859 4.059 1.00 0.00 O ATOM 1234 CB ARG A 84 66.158 -7.374 1.190 1.00 0.00 C ATOM 1235 CG ARG A 84 65.168 -7.266 0.027 1.00 0.00 C ATOM 1236 CD ARG A 84 65.001 -8.638 -0.631 1.00 0.00 C ATOM 1237 NE ARG A 84 66.237 -8.827 -1.440 1.00 0.00 N ATOM 1238 CZ ARG A 84 66.461 -8.068 -2.478 1.00 0.00 C ATOM 1239 NH1 ARG A 84 65.787 -8.253 -3.580 1.00 0.00 N ATOM 1240 NH2 ARG A 84 67.358 -7.123 -2.412 1.00 0.00 N ATOM 0 H ARG A 84 64.605 -5.719 1.920 1.00 0.00 H new ATOM 0 HA ARG A 84 64.810 -8.544 2.448 1.00 0.00 H new ATOM 0 HB2 ARG A 84 66.743 -6.458 1.270 1.00 0.00 H new ATOM 0 HB3 ARG A 84 66.861 -8.187 1.009 1.00 0.00 H new ATOM 0 HG2 ARG A 84 64.205 -6.904 0.388 1.00 0.00 H new ATOM 0 HG3 ARG A 84 65.527 -6.542 -0.704 1.00 0.00 H new ATOM 0 HD2 ARG A 84 64.894 -9.424 0.116 1.00 0.00 H new ATOM 0 HD3 ARG A 84 64.110 -8.670 -1.258 1.00 0.00 H new ATOM 0 HE ARG A 84 66.909 -9.550 -1.183 1.00 0.00 H new ATOM 0 HH11 ARG A 84 65.085 -8.991 -3.630 1.00 0.00 H new ATOM 0 HH12 ARG A 84 65.962 -7.660 -4.391 1.00 0.00 H new ATOM 0 HH21 ARG A 84 67.883 -6.978 -1.550 1.00 0.00 H new ATOM 0 HH22 ARG A 84 67.534 -6.529 -3.223 1.00 0.00 H new ATOM 1254 N GLN A 85 66.766 -6.674 4.251 1.00 0.00 N ATOM 1255 CA GLN A 85 67.700 -6.760 5.410 1.00 0.00 C ATOM 1256 C GLN A 85 66.912 -6.800 6.722 1.00 0.00 C ATOM 1257 O GLN A 85 67.368 -7.336 7.713 1.00 0.00 O ATOM 1258 CB GLN A 85 68.547 -5.491 5.333 1.00 0.00 C ATOM 1259 CG GLN A 85 69.669 -5.561 6.372 1.00 0.00 C ATOM 1260 CD GLN A 85 70.469 -6.851 6.176 1.00 0.00 C ATOM 1261 OE1 GLN A 85 71.146 -7.016 5.180 1.00 0.00 O ATOM 1262 NE2 GLN A 85 70.420 -7.780 7.091 1.00 0.00 N ATOM 0 H GLN A 85 66.501 -5.729 3.974 1.00 0.00 H new ATOM 0 HA GLN A 85 68.313 -7.661 5.379 1.00 0.00 H new ATOM 0 HB2 GLN A 85 68.969 -5.383 4.334 1.00 0.00 H new ATOM 0 HB3 GLN A 85 67.925 -4.614 5.513 1.00 0.00 H new ATOM 0 HG2 GLN A 85 70.325 -4.696 6.273 1.00 0.00 H new ATOM 0 HG3 GLN A 85 69.250 -5.530 7.378 1.00 0.00 H new ATOM 0 HE21 GLN A 85 69.852 -7.643 7.927 1.00 0.00 H new ATOM 0 HE22 GLN A 85 70.949 -8.643 6.970 1.00 0.00 H new ATOM 1271 N MET A 86 65.734 -6.240 6.738 1.00 0.00 N ATOM 1272 CA MET A 86 64.926 -6.250 7.991 1.00 0.00 C ATOM 1273 C MET A 86 64.054 -7.505 8.056 1.00 0.00 C ATOM 1274 O MET A 86 63.789 -8.027 9.118 1.00 0.00 O ATOM 1275 CB MET A 86 64.055 -4.999 7.920 1.00 0.00 C ATOM 1276 CG MET A 86 64.413 -4.063 9.075 1.00 0.00 C ATOM 1277 SD MET A 86 62.907 -3.285 9.709 1.00 0.00 S ATOM 1278 CE MET A 86 63.673 -1.763 10.317 1.00 0.00 C ATOM 0 H MET A 86 65.297 -5.777 5.941 1.00 0.00 H new ATOM 0 HA MET A 86 65.557 -6.256 8.880 1.00 0.00 H new ATOM 0 HB2 MET A 86 64.205 -4.492 6.967 1.00 0.00 H new ATOM 0 HB3 MET A 86 63.001 -5.273 7.973 1.00 0.00 H new ATOM 0 HG2 MET A 86 64.909 -4.621 9.869 1.00 0.00 H new ATOM 0 HG3 MET A 86 65.114 -3.300 8.736 1.00 0.00 H new ATOM 0 HE1 MET A 86 62.899 -1.085 10.677 1.00 0.00 H new ATOM 0 HE2 MET A 86 64.356 -2.000 11.133 1.00 0.00 H new ATOM 0 HE3 MET A 86 64.226 -1.286 9.508 1.00 0.00 H new ATOM 1288 N LYS A 87 63.607 -8.003 6.934 1.00 0.00 N ATOM 1289 CA LYS A 87 62.759 -9.227 6.971 1.00 0.00 C ATOM 1290 C LYS A 87 63.436 -10.278 7.852 1.00 0.00 C ATOM 1291 O LYS A 87 62.793 -11.129 8.434 1.00 0.00 O ATOM 1292 CB LYS A 87 62.668 -9.708 5.521 1.00 0.00 C ATOM 1293 CG LYS A 87 64.059 -9.712 4.885 1.00 0.00 C ATOM 1294 CD LYS A 87 64.497 -11.155 4.626 1.00 0.00 C ATOM 1295 CE LYS A 87 65.106 -11.259 3.226 1.00 0.00 C ATOM 1296 NZ LYS A 87 64.902 -12.678 2.823 1.00 0.00 N ATOM 0 H LYS A 87 63.790 -7.621 6.006 1.00 0.00 H new ATOM 0 HA LYS A 87 61.768 -9.040 7.383 1.00 0.00 H new ATOM 0 HB2 LYS A 87 62.240 -10.710 5.487 1.00 0.00 H new ATOM 0 HB3 LYS A 87 62.001 -9.058 4.954 1.00 0.00 H new ATOM 0 HG2 LYS A 87 64.045 -9.152 3.950 1.00 0.00 H new ATOM 0 HG3 LYS A 87 64.773 -9.216 5.543 1.00 0.00 H new ATOM 0 HD2 LYS A 87 65.225 -11.465 5.375 1.00 0.00 H new ATOM 0 HD3 LYS A 87 63.643 -11.827 4.714 1.00 0.00 H new ATOM 0 HE2 LYS A 87 64.617 -10.577 2.531 1.00 0.00 H new ATOM 0 HE3 LYS A 87 66.165 -10.999 3.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 65.294 -12.828 1.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 65.384 -13.304 3.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 63.885 -12.894 2.816 1.00 0.00 H new ATOM 1310 N GLU A 88 64.734 -10.209 7.963 1.00 0.00 N ATOM 1311 CA GLU A 88 65.466 -11.185 8.816 1.00 0.00 C ATOM 1312 C GLU A 88 65.776 -10.555 10.176 1.00 0.00 C ATOM 1313 O GLU A 88 65.742 -11.211 11.198 1.00 0.00 O ATOM 1314 CB GLU A 88 66.758 -11.480 8.057 1.00 0.00 C ATOM 1315 CG GLU A 88 66.519 -12.617 7.061 1.00 0.00 C ATOM 1316 CD GLU A 88 67.261 -13.870 7.527 1.00 0.00 C ATOM 1317 OE1 GLU A 88 67.452 -14.011 8.724 1.00 0.00 O ATOM 1318 OE2 GLU A 88 67.624 -14.670 6.679 1.00 0.00 O ATOM 0 H GLU A 88 65.320 -9.516 7.498 1.00 0.00 H new ATOM 0 HA GLU A 88 64.889 -12.091 9.004 1.00 0.00 H new ATOM 0 HB2 GLU A 88 67.095 -10.587 7.531 1.00 0.00 H new ATOM 0 HB3 GLU A 88 67.548 -11.755 8.756 1.00 0.00 H new ATOM 0 HG2 GLU A 88 65.452 -12.823 6.978 1.00 0.00 H new ATOM 0 HG3 GLU A 88 66.865 -12.325 6.070 1.00 0.00 H new ATOM 1325 N ASP A 89 66.079 -9.284 10.194 1.00 0.00 N ATOM 1326 CA ASP A 89 66.391 -8.608 11.485 1.00 0.00 C ATOM 1327 C ASP A 89 65.097 -8.279 12.233 1.00 0.00 C ATOM 1328 O ASP A 89 65.052 -8.276 13.447 1.00 0.00 O ATOM 1329 CB ASP A 89 67.123 -7.324 11.092 1.00 0.00 C ATOM 1330 CG ASP A 89 68.546 -7.662 10.644 1.00 0.00 C ATOM 1331 OD1 ASP A 89 68.693 -8.190 9.553 1.00 0.00 O ATOM 1332 OD2 ASP A 89 69.464 -7.389 11.399 1.00 0.00 O ATOM 0 H ASP A 89 66.124 -8.685 9.369 1.00 0.00 H new ATOM 0 HA ASP A 89 66.991 -9.234 12.146 1.00 0.00 H new ATOM 0 HB2 ASP A 89 66.588 -6.820 10.287 1.00 0.00 H new ATOM 0 HB3 ASP A 89 67.151 -6.636 11.937 1.00 0.00 H new ATOM 1337 N ALA A 90 64.043 -8.003 11.515 1.00 0.00 N ATOM 1338 CA ALA A 90 62.751 -7.673 12.181 1.00 0.00 C ATOM 1339 C ALA A 90 62.082 -8.950 12.699 1.00 0.00 C ATOM 1340 O ALA A 90 62.294 -9.992 12.099 1.00 0.00 O ATOM 1341 CB ALA A 90 61.898 -7.025 11.091 1.00 0.00 C ATOM 1342 OXT ALA A 90 61.369 -8.864 13.685 1.00 0.00 O ATOM 0 H ALA A 90 64.021 -7.992 10.495 1.00 0.00 H new ATOM 0 HA ALA A 90 62.885 -7.014 13.039 1.00 0.00 H new ATOM 0 HB1 ALA A 90 60.927 -6.752 11.503 1.00 0.00 H new ATOM 0 HB2 ALA A 90 62.399 -6.131 10.720 1.00 0.00 H new ATOM 0 HB3 ALA A 90 61.759 -7.729 10.271 1.00 0.00 H new TER 1348 ALA A 90