USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 926 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 99 MET CE :methyl 157:sc= -0.335 (180deg=-2.18) USER MOD Set 1.2: A 104 SER OG : rot 140:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc=-0.00873 X(o=-0.0087,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN :FLIP amide:sc= -0.0315 F(o=-0.97,f=-0.031) USER MOD Single : A 15 HIS : no HD1:sc= -3.2 K(o=-3.2,f=-9.4!) USER MOD Single : A 21 ASN :FLIP amide:sc= -6.81! C(o=-14!,f=-6.8!) USER MOD Single : A 25 MET CE :methyl 180:sc= -4.12! (180deg=-4.12!) USER MOD Single : A 27 GLN : amide:sc= -0.349 X(o=-0.35,f=-0.8) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -137:sc= -0.162 (180deg=-0.649) USER MOD Single : A 32 LYS NZ :NH3+ -171:sc= 0.0888 (180deg=0.0855) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -171:sc= 0.401 (180deg=0.363) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.174 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot -59:sc= 0.837 USER MOD Single : A 41 LYS NZ :NH3+ -106:sc= -1.87! (180deg=-4.61!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 177:sc= -10.9! (180deg=-11!) USER MOD Single : A 58 SER OG : rot 72:sc= -0.273 USER MOD Single : A 60 GLN : amide:sc= -0.0364 K(o=-0.036,f=-1.2!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -1.28 USER MOD Single : A 72 LYS NZ :NH3+ -153:sc= 0.292 (180deg=0.23) USER MOD Single : A 88 ASN : amide:sc= -2.46! C(o=-2.5!,f=-13!) USER MOD Single : A 90 SER OG : rot 64:sc= 0.441 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0327) USER MOD Single : A 100 LYS NZ :NH3+ -170:sc=-0.00303 (180deg=-0.0995) USER MOD Single : A 102 LYS NZ :NH3+ -168:sc= -8.21! (180deg=-8.92!) USER MOD Single : A 106 THR OG1 : rot -51:sc= 1.17 USER MOD Single : A 115 ASN : amide:sc= -1.68 X(o=-1.7,f=-1.3) USER MOD Single : A 123 THR OG1 : rot 45:sc= 0.699 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 6 -20.416 6.100 -3.771 1.00 2.36 N ATOM 2 CA HIS A 6 -21.171 5.453 -2.667 1.00 1.81 C ATOM 3 C HIS A 6 -20.269 4.520 -1.867 1.00 1.54 C ATOM 4 O HIS A 6 -20.158 4.642 -0.647 1.00 2.00 O ATOM 5 CB HIS A 6 -22.361 4.672 -3.232 1.00 2.21 C ATOM 6 CG HIS A 6 -23.226 4.051 -2.179 1.00 2.82 C ATOM 7 ND1 HIS A 6 -24.309 4.694 -1.619 1.00 3.41 N ATOM 8 CD2 HIS A 6 -23.166 2.834 -1.587 1.00 3.57 C ATOM 9 CE1 HIS A 6 -24.878 3.902 -0.728 1.00 4.24 C ATOM 10 NE2 HIS A 6 -24.204 2.767 -0.690 1.00 4.35 N ATOM 0 HA HIS A 6 -21.538 6.233 -2.000 1.00 1.81 H new ATOM 0 HB2 HIS A 6 -22.968 5.342 -3.840 1.00 2.21 H new ATOM 0 HB3 HIS A 6 -21.990 3.889 -3.893 1.00 2.21 H new ATOM 0 HD2 HIS A 6 -22.438 2.061 -1.784 1.00 3.57 H new ATOM 0 HE1 HIS A 6 -25.746 4.142 -0.132 1.00 4.24 H new ATOM 0 HE2 HIS A 6 -24.419 1.970 -0.091 1.00 4.35 H new ATOM 21 N ARG A 7 -19.624 3.589 -2.564 1.00 1.10 N ATOM 22 CA ARG A 7 -18.731 2.634 -1.920 1.00 0.83 C ATOM 23 C ARG A 7 -17.360 3.251 -1.678 1.00 0.78 C ATOM 24 O ARG A 7 -16.457 2.585 -1.180 1.00 1.40 O ATOM 25 CB ARG A 7 -18.598 1.372 -2.769 1.00 0.82 C ATOM 26 CG ARG A 7 -18.335 0.122 -1.946 1.00 1.06 C ATOM 27 CD ARG A 7 -16.856 -0.223 -1.918 1.00 0.46 C ATOM 28 NE ARG A 7 -16.370 -0.655 -3.227 1.00 1.67 N ATOM 29 CZ ARG A 7 -16.829 -1.724 -3.874 1.00 2.48 C ATOM 30 NH1 ARG A 7 -17.772 -2.485 -3.331 1.00 2.54 N ATOM 31 NH2 ARG A 7 -16.339 -2.039 -5.065 1.00 3.65 N ATOM 0 H ARG A 7 -19.704 3.476 -3.575 1.00 1.10 H new ATOM 0 HA ARG A 7 -19.162 2.365 -0.955 1.00 0.83 H new ATOM 0 HB2 ARG A 7 -19.511 1.233 -3.347 1.00 0.82 H new ATOM 0 HB3 ARG A 7 -17.786 1.506 -3.483 1.00 0.82 H new ATOM 0 HG2 ARG A 7 -18.694 0.273 -0.928 1.00 1.06 H new ATOM 0 HG3 ARG A 7 -18.897 -0.714 -2.362 1.00 1.06 H new ATOM 0 HD2 ARG A 7 -16.287 0.646 -1.589 1.00 0.46 H new ATOM 0 HD3 ARG A 7 -16.682 -1.013 -1.188 1.00 0.46 H new ATOM 0 HE ARG A 7 -15.635 -0.104 -3.671 1.00 1.67 H new ATOM 0 HH11 ARG A 7 -18.149 -2.252 -2.412 1.00 2.54 H new ATOM 0 HH12 ARG A 7 -18.119 -3.303 -3.832 1.00 2.54 H new ATOM 0 HH21 ARG A 7 -15.610 -1.462 -5.485 1.00 3.65 H new ATOM 0 HH22 ARG A 7 -16.691 -2.858 -5.561 1.00 3.65 H new ATOM 45 N SER A 8 -17.207 4.527 -2.031 1.00 0.65 N ATOM 46 CA SER A 8 -15.935 5.218 -1.839 1.00 0.51 C ATOM 47 C SER A 8 -15.434 5.017 -0.418 1.00 0.42 C ATOM 48 O SER A 8 -15.780 5.770 0.493 1.00 0.51 O ATOM 49 CB SER A 8 -16.074 6.713 -2.135 1.00 0.55 C ATOM 50 OG SER A 8 -16.407 6.937 -3.493 1.00 1.26 O ATOM 0 H SER A 8 -17.942 5.098 -2.448 1.00 0.65 H new ATOM 0 HA SER A 8 -15.212 4.794 -2.536 1.00 0.51 H new ATOM 0 HB2 SER A 8 -16.843 7.144 -1.493 1.00 0.55 H new ATOM 0 HB3 SER A 8 -15.140 7.222 -1.898 1.00 0.55 H new ATOM 0 HG SER A 8 -16.491 7.900 -3.655 1.00 1.26 H new ATOM 56 N ALA A 9 -14.619 3.987 -0.241 1.00 0.33 N ATOM 57 CA ALA A 9 -14.066 3.659 1.060 1.00 0.33 C ATOM 58 C ALA A 9 -13.258 4.823 1.622 1.00 0.43 C ATOM 59 O ALA A 9 -13.155 5.880 0.999 1.00 1.08 O ATOM 60 CB ALA A 9 -13.217 2.404 0.950 1.00 0.26 C ATOM 0 H ALA A 9 -14.326 3.361 -0.991 1.00 0.33 H new ATOM 0 HA ALA A 9 -14.885 3.470 1.754 1.00 0.33 H new ATOM 0 HB1 ALA A 9 -12.802 2.159 1.928 1.00 0.26 H new ATOM 0 HB2 ALA A 9 -13.834 1.577 0.600 1.00 0.26 H new ATOM 0 HB3 ALA A 9 -12.405 2.575 0.244 1.00 0.26 H new ATOM 66 N ASN A 10 -12.689 4.625 2.806 1.00 0.33 N ATOM 67 CA ASN A 10 -11.899 5.661 3.459 1.00 0.33 C ATOM 68 C ASN A 10 -10.504 5.774 2.847 1.00 0.24 C ATOM 69 O ASN A 10 -9.516 5.930 3.566 1.00 0.27 O ATOM 70 CB ASN A 10 -11.787 5.370 4.957 1.00 0.44 C ATOM 71 CG ASN A 10 -13.132 5.389 5.658 1.00 0.88 C ATOM 72 OD1 ASN A 10 -14.028 6.259 5.201 1.00 1.75 O flip ATOM 73 ND2 ASN A 10 -13.362 4.635 6.603 1.00 1.39 N flip ATOM 0 H ASN A 10 -12.761 3.755 3.333 1.00 0.33 H new ATOM 0 HA ASN A 10 -12.410 6.612 3.309 1.00 0.33 H new ATOM 0 HB2 ASN A 10 -11.321 4.395 5.100 1.00 0.44 H new ATOM 0 HB3 ASN A 10 -11.131 6.108 5.418 1.00 0.44 H new ATOM 0 HD21 ASN A 10 -12.645 3.983 6.921 1.00 1.39 H new ATOM 0 HD22 ASN A 10 -14.269 4.662 7.068 1.00 1.39 H new ATOM 80 N LEU A 11 -10.423 5.694 1.519 1.00 0.16 N ATOM 81 CA LEU A 11 -9.141 5.796 0.829 1.00 0.12 C ATOM 82 C LEU A 11 -8.468 7.110 1.156 1.00 0.12 C ATOM 83 O LEU A 11 -7.256 7.233 1.088 1.00 0.22 O ATOM 84 CB LEU A 11 -9.326 5.757 -0.680 1.00 0.11 C ATOM 85 CG LEU A 11 -10.194 4.635 -1.222 1.00 0.12 C ATOM 86 CD1 LEU A 11 -10.884 5.095 -2.488 1.00 0.14 C ATOM 87 CD2 LEU A 11 -9.367 3.393 -1.501 1.00 0.11 C ATOM 0 H LEU A 11 -11.226 5.560 0.904 1.00 0.16 H new ATOM 0 HA LEU A 11 -8.536 4.952 1.160 1.00 0.12 H new ATOM 0 HB2 LEU A 11 -9.757 6.707 -0.997 1.00 0.11 H new ATOM 0 HB3 LEU A 11 -8.342 5.683 -1.144 1.00 0.11 H new ATOM 0 HG LEU A 11 -10.942 4.381 -0.471 1.00 0.12 H new ATOM 0 HD11 LEU A 11 -11.507 4.289 -2.876 1.00 0.14 H new ATOM 0 HD12 LEU A 11 -11.507 5.962 -2.268 1.00 0.14 H new ATOM 0 HD13 LEU A 11 -10.135 5.366 -3.232 1.00 0.14 H new ATOM 0 HD21 LEU A 11 -10.013 2.605 -1.888 1.00 0.11 H new ATOM 0 HD22 LEU A 11 -8.598 3.626 -2.237 1.00 0.11 H new ATOM 0 HD23 LEU A 11 -8.896 3.055 -0.578 1.00 0.11 H new ATOM 99 N ARG A 12 -9.290 8.087 1.485 1.00 0.12 N ATOM 100 CA ARG A 12 -8.830 9.433 1.790 1.00 0.13 C ATOM 101 C ARG A 12 -7.844 9.427 2.945 1.00 0.13 C ATOM 102 O ARG A 12 -6.789 10.059 2.874 1.00 0.24 O ATOM 103 CB ARG A 12 -10.027 10.345 2.098 1.00 0.17 C ATOM 104 CG ARG A 12 -11.391 9.736 1.759 1.00 0.42 C ATOM 105 CD ARG A 12 -11.509 9.340 0.289 1.00 0.27 C ATOM 106 NE ARG A 12 -11.551 10.503 -0.594 1.00 0.97 N ATOM 107 CZ ARG A 12 -11.903 10.444 -1.874 1.00 1.38 C ATOM 108 NH1 ARG A 12 -12.231 9.280 -2.420 1.00 1.25 N ATOM 109 NH2 ARG A 12 -11.928 11.546 -2.609 1.00 2.10 N ATOM 0 H ARG A 12 -10.301 7.972 1.549 1.00 0.12 H new ATOM 0 HA ARG A 12 -8.310 9.824 0.915 1.00 0.13 H new ATOM 0 HB2 ARG A 12 -10.010 10.601 3.157 1.00 0.17 H new ATOM 0 HB3 ARG A 12 -9.911 11.276 1.544 1.00 0.17 H new ATOM 0 HG2 ARG A 12 -11.557 8.858 2.382 1.00 0.42 H new ATOM 0 HG3 ARG A 12 -12.175 10.453 2.002 1.00 0.42 H new ATOM 0 HD2 ARG A 12 -10.664 8.709 0.016 1.00 0.27 H new ATOM 0 HD3 ARG A 12 -12.411 8.745 0.146 1.00 0.27 H new ATOM 0 HE ARG A 12 -11.296 11.411 -0.206 1.00 0.97 H new ATOM 0 HH11 ARG A 12 -12.213 8.430 -1.857 1.00 1.25 H new ATOM 0 HH12 ARG A 12 -12.501 9.236 -3.403 1.00 1.25 H new ATOM 0 HH21 ARG A 12 -11.677 12.443 -2.193 1.00 2.10 H new ATOM 0 HH22 ARG A 12 -12.199 11.498 -3.591 1.00 2.10 H new ATOM 123 N ALA A 13 -8.184 8.715 4.010 1.00 0.13 N ATOM 124 CA ALA A 13 -7.295 8.621 5.156 1.00 0.17 C ATOM 125 C ALA A 13 -6.005 7.957 4.730 1.00 0.16 C ATOM 126 O ALA A 13 -4.914 8.341 5.153 1.00 0.22 O ATOM 127 CB ALA A 13 -7.949 7.830 6.276 1.00 0.21 C ATOM 0 H ALA A 13 -9.059 8.200 4.103 1.00 0.13 H new ATOM 0 HA ALA A 13 -7.083 9.623 5.529 1.00 0.17 H new ATOM 0 HB1 ALA A 13 -7.268 7.771 7.125 1.00 0.21 H new ATOM 0 HB2 ALA A 13 -8.869 8.327 6.583 1.00 0.21 H new ATOM 0 HB3 ALA A 13 -8.179 6.824 5.925 1.00 0.21 H new ATOM 133 N ALA A 14 -6.155 6.974 3.858 1.00 0.13 N ATOM 134 CA ALA A 14 -5.036 6.205 3.348 1.00 0.12 C ATOM 135 C ALA A 14 -4.186 7.030 2.408 1.00 0.10 C ATOM 136 O ALA A 14 -2.964 6.933 2.414 1.00 0.10 O ATOM 137 CB ALA A 14 -5.563 4.978 2.636 1.00 0.13 C ATOM 0 H ALA A 14 -7.060 6.687 3.484 1.00 0.13 H new ATOM 0 HA ALA A 14 -4.406 5.905 4.185 1.00 0.12 H new ATOM 0 HB1 ALA A 14 -4.727 4.395 2.250 1.00 0.13 H new ATOM 0 HB2 ALA A 14 -6.137 4.370 3.335 1.00 0.13 H new ATOM 0 HB3 ALA A 14 -6.204 5.284 1.810 1.00 0.13 H new ATOM 143 N HIS A 15 -4.844 7.832 1.593 1.00 0.10 N ATOM 144 CA HIS A 15 -4.161 8.681 0.653 1.00 0.09 C ATOM 145 C HIS A 15 -3.046 9.428 1.368 1.00 0.09 C ATOM 146 O HIS A 15 -1.997 9.701 0.792 1.00 0.10 O ATOM 147 CB HIS A 15 -5.161 9.655 0.037 1.00 0.09 C ATOM 148 CG HIS A 15 -5.416 9.404 -1.409 1.00 0.09 C ATOM 149 ND1 HIS A 15 -4.432 9.493 -2.364 1.00 0.10 N ATOM 150 CD2 HIS A 15 -6.548 9.057 -2.066 1.00 0.08 C ATOM 151 CE1 HIS A 15 -4.945 9.216 -3.543 1.00 0.09 C ATOM 152 NE2 HIS A 15 -6.226 8.952 -3.396 1.00 0.08 N ATOM 0 H HIS A 15 -5.861 7.909 1.568 1.00 0.10 H new ATOM 0 HA HIS A 15 -3.721 8.083 -0.145 1.00 0.09 H new ATOM 0 HB2 HIS A 15 -6.103 9.590 0.581 1.00 0.09 H new ATOM 0 HB3 HIS A 15 -4.790 10.672 0.162 1.00 0.09 H new ATOM 0 HD2 HIS A 15 -7.521 8.894 -1.626 1.00 0.08 H new ATOM 0 HE1 HIS A 15 -4.404 9.207 -4.478 1.00 0.09 H new ATOM 0 HE2 HIS A 15 -6.873 8.709 -4.147 1.00 0.08 H new ATOM 161 N ALA A 16 -3.299 9.758 2.634 1.00 0.10 N ATOM 162 CA ALA A 16 -2.323 10.450 3.461 1.00 0.12 C ATOM 163 C ALA A 16 -1.372 9.460 4.118 1.00 0.12 C ATOM 164 O ALA A 16 -0.252 9.816 4.466 1.00 0.13 O ATOM 165 CB ALA A 16 -3.014 11.295 4.517 1.00 0.13 C ATOM 0 H ALA A 16 -4.179 9.554 3.108 1.00 0.10 H new ATOM 0 HA ALA A 16 -1.743 11.109 2.815 1.00 0.12 H new ATOM 0 HB1 ALA A 16 -2.265 11.803 5.124 1.00 0.13 H new ATOM 0 HB2 ALA A 16 -3.651 12.035 4.032 1.00 0.13 H new ATOM 0 HB3 ALA A 16 -3.623 10.654 5.154 1.00 0.13 H new ATOM 171 N ALA A 17 -1.840 8.226 4.314 1.00 0.12 N ATOM 172 CA ALA A 17 -1.015 7.183 4.919 1.00 0.12 C ATOM 173 C ALA A 17 0.039 6.700 3.933 1.00 0.11 C ATOM 174 O ALA A 17 1.232 6.779 4.206 1.00 0.11 O ATOM 175 CB ALA A 17 -1.861 6.015 5.378 1.00 0.13 C ATOM 0 H ALA A 17 -2.782 7.927 4.063 1.00 0.12 H new ATOM 0 HA ALA A 17 -0.520 7.614 5.790 1.00 0.12 H new ATOM 0 HB1 ALA A 17 -1.220 5.255 5.824 1.00 0.13 H new ATOM 0 HB2 ALA A 17 -2.585 6.358 6.117 1.00 0.13 H new ATOM 0 HB3 ALA A 17 -2.388 5.590 4.524 1.00 0.13 H new ATOM 181 N LEU A 18 -0.409 6.178 2.791 1.00 0.10 N ATOM 182 CA LEU A 18 0.511 5.724 1.756 1.00 0.09 C ATOM 183 C LEU A 18 1.410 6.881 1.370 1.00 0.09 C ATOM 184 O LEU A 18 2.526 6.688 0.892 1.00 0.10 O ATOM 185 CB LEU A 18 -0.253 5.206 0.532 1.00 0.09 C ATOM 186 CG LEU A 18 -1.170 4.004 0.733 1.00 0.09 C ATOM 187 CD1 LEU A 18 -0.802 3.220 1.978 1.00 0.10 C ATOM 188 CD2 LEU A 18 -2.605 4.483 0.775 1.00 0.10 C ATOM 0 H LEU A 18 -1.396 6.061 2.563 1.00 0.10 H new ATOM 0 HA LEU A 18 1.111 4.899 2.140 1.00 0.09 H new ATOM 0 HB2 LEU A 18 -0.854 6.026 0.139 1.00 0.09 H new ATOM 0 HB3 LEU A 18 0.476 4.948 -0.236 1.00 0.09 H new ATOM 0 HG LEU A 18 -1.048 3.317 -0.105 1.00 0.09 H new ATOM 0 HD11 LEU A 18 -1.478 2.372 2.087 1.00 0.10 H new ATOM 0 HD12 LEU A 18 0.223 2.859 1.891 1.00 0.10 H new ATOM 0 HD13 LEU A 18 -0.886 3.865 2.852 1.00 0.10 H new ATOM 0 HD21 LEU A 18 -3.269 3.631 0.918 1.00 0.10 H new ATOM 0 HD22 LEU A 18 -2.731 5.184 1.600 1.00 0.10 H new ATOM 0 HD23 LEU A 18 -2.850 4.980 -0.164 1.00 0.10 H new ATOM 200 N LEU A 19 0.892 8.088 1.566 1.00 0.09 N ATOM 201 CA LEU A 19 1.651 9.301 1.318 1.00 0.09 C ATOM 202 C LEU A 19 2.648 9.436 2.459 1.00 0.10 C ATOM 203 O LEU A 19 3.836 9.689 2.259 1.00 0.10 O ATOM 204 CB LEU A 19 0.698 10.508 1.250 1.00 0.10 C ATOM 205 CG LEU A 19 1.319 11.895 1.442 1.00 0.10 C ATOM 206 CD1 LEU A 19 1.421 12.223 2.919 1.00 0.11 C ATOM 207 CD2 LEU A 19 2.682 11.976 0.781 1.00 0.11 C ATOM 0 H LEU A 19 -0.059 8.250 1.899 1.00 0.09 H new ATOM 0 HA LEU A 19 2.179 9.260 0.366 1.00 0.09 H new ATOM 0 HB2 LEU A 19 0.199 10.491 0.281 1.00 0.10 H new ATOM 0 HB3 LEU A 19 -0.073 10.374 2.008 1.00 0.10 H new ATOM 0 HG LEU A 19 0.671 12.630 0.965 1.00 0.10 H new ATOM 0 HD11 LEU A 19 1.864 13.211 3.042 1.00 0.11 H new ATOM 0 HD12 LEU A 19 0.426 12.213 3.363 1.00 0.11 H new ATOM 0 HD13 LEU A 19 2.047 11.481 3.414 1.00 0.11 H new ATOM 0 HD21 LEU A 19 3.101 12.971 0.932 1.00 0.11 H new ATOM 0 HD22 LEU A 19 3.345 11.232 1.222 1.00 0.11 H new ATOM 0 HD23 LEU A 19 2.580 11.783 -0.287 1.00 0.11 H new ATOM 219 N GLU A 20 2.126 9.235 3.662 1.00 0.11 N ATOM 220 CA GLU A 20 2.914 9.275 4.883 1.00 0.13 C ATOM 221 C GLU A 20 4.074 8.304 4.750 1.00 0.14 C ATOM 222 O GLU A 20 5.148 8.502 5.317 1.00 0.16 O ATOM 223 CB GLU A 20 2.028 8.905 6.074 1.00 0.14 C ATOM 224 CG GLU A 20 2.711 9.007 7.423 1.00 0.18 C ATOM 225 CD GLU A 20 3.284 7.687 7.903 1.00 1.23 C ATOM 226 OE1 GLU A 20 4.391 7.320 7.458 1.00 1.89 O ATOM 227 OE2 GLU A 20 2.627 7.024 8.733 1.00 1.64 O ATOM 0 H GLU A 20 1.137 9.038 3.817 1.00 0.11 H new ATOM 0 HA GLU A 20 3.308 10.278 5.047 1.00 0.13 H new ATOM 0 HB2 GLU A 20 1.152 9.554 6.075 1.00 0.14 H new ATOM 0 HB3 GLU A 20 1.668 7.885 5.940 1.00 0.14 H new ATOM 0 HG2 GLU A 20 3.512 9.743 7.363 1.00 0.18 H new ATOM 0 HG3 GLU A 20 1.995 9.374 8.159 1.00 0.18 H new ATOM 234 N ASN A 21 3.833 7.249 3.981 1.00 0.13 N ATOM 235 CA ASN A 21 4.839 6.240 3.711 1.00 0.14 C ATOM 236 C ASN A 21 5.733 6.730 2.588 1.00 0.13 C ATOM 237 O ASN A 21 6.953 6.659 2.668 1.00 0.21 O ATOM 238 CB ASN A 21 4.176 4.919 3.304 1.00 0.15 C ATOM 239 CG ASN A 21 4.887 4.248 2.148 1.00 0.47 C ATOM 240 OD1 ASN A 21 5.814 3.358 2.464 1.00 1.21 O flip ATOM 241 ND2 ASN A 21 4.599 4.522 0.983 1.00 1.34 N flip ATOM 0 H ASN A 21 2.935 7.073 3.530 1.00 0.13 H new ATOM 0 HA ASN A 21 5.429 6.067 4.611 1.00 0.14 H new ATOM 0 HB2 ASN A 21 4.162 4.244 4.160 1.00 0.15 H new ATOM 0 HB3 ASN A 21 3.138 5.106 3.029 1.00 0.15 H new ATOM 0 HD21 ASN A 21 3.877 5.215 0.786 1.00 1.34 H new ATOM 0 HD22 ASN A 21 5.082 4.056 0.215 1.00 1.34 H new ATOM 248 N ALA A 22 5.089 7.230 1.542 1.00 0.11 N ATOM 249 CA ALA A 22 5.784 7.750 0.368 1.00 0.12 C ATOM 250 C ALA A 22 6.928 8.683 0.735 1.00 0.12 C ATOM 251 O ALA A 22 7.959 8.687 0.070 1.00 0.13 O ATOM 252 CB ALA A 22 4.800 8.466 -0.543 1.00 0.13 C ATOM 0 H ALA A 22 4.072 7.287 1.481 1.00 0.11 H new ATOM 0 HA ALA A 22 6.219 6.898 -0.154 1.00 0.12 H new ATOM 0 HB1 ALA A 22 5.327 8.851 -1.416 1.00 0.13 H new ATOM 0 HB2 ALA A 22 4.027 7.768 -0.864 1.00 0.13 H new ATOM 0 HB3 ALA A 22 4.340 9.293 -0.003 1.00 0.13 H new ATOM 258 N ARG A 23 6.743 9.483 1.777 1.00 0.13 N ATOM 259 CA ARG A 23 7.788 10.400 2.209 1.00 0.15 C ATOM 260 C ARG A 23 8.870 9.629 2.944 1.00 0.16 C ATOM 261 O ARG A 23 10.061 9.827 2.710 1.00 0.18 O ATOM 262 CB ARG A 23 7.213 11.490 3.112 1.00 0.18 C ATOM 263 CG ARG A 23 6.479 10.949 4.328 1.00 0.20 C ATOM 264 CD ARG A 23 6.231 12.033 5.361 1.00 0.29 C ATOM 265 NE ARG A 23 5.282 13.037 4.887 1.00 1.07 N ATOM 266 CZ ARG A 23 4.814 14.025 5.643 1.00 1.28 C ATOM 267 NH1 ARG A 23 5.209 14.144 6.905 1.00 0.75 N ATOM 268 NH2 ARG A 23 3.950 14.897 5.139 1.00 2.26 N ATOM 0 H ARG A 23 5.889 9.516 2.333 1.00 0.13 H new ATOM 0 HA ARG A 23 8.219 10.879 1.330 1.00 0.15 H new ATOM 0 HB2 ARG A 23 8.023 12.138 3.446 1.00 0.18 H new ATOM 0 HB3 ARG A 23 6.529 12.108 2.531 1.00 0.18 H new ATOM 0 HG2 ARG A 23 5.527 10.518 4.017 1.00 0.20 H new ATOM 0 HG3 ARG A 23 7.062 10.145 4.777 1.00 0.20 H new ATOM 0 HD2 ARG A 23 5.852 11.580 6.277 1.00 0.29 H new ATOM 0 HD3 ARG A 23 7.175 12.517 5.612 1.00 0.29 H new ATOM 0 HE ARG A 23 4.960 12.977 3.921 1.00 1.07 H new ATOM 0 HH11 ARG A 23 5.873 13.476 7.297 1.00 0.75 H new ATOM 0 HH12 ARG A 23 4.848 14.903 7.483 1.00 0.75 H new ATOM 0 HH21 ARG A 23 3.644 14.810 4.170 1.00 2.26 H new ATOM 0 HH22 ARG A 23 3.592 15.655 5.721 1.00 2.26 H new ATOM 282 N PHE A 24 8.438 8.753 3.843 1.00 0.16 N ATOM 283 CA PHE A 24 9.353 7.921 4.601 1.00 0.19 C ATOM 284 C PHE A 24 10.123 7.009 3.654 1.00 0.19 C ATOM 285 O PHE A 24 11.210 6.534 3.979 1.00 0.26 O ATOM 286 CB PHE A 24 8.580 7.102 5.633 1.00 0.21 C ATOM 287 CG PHE A 24 8.727 7.616 7.037 1.00 0.28 C ATOM 288 CD1 PHE A 24 9.888 7.381 7.758 1.00 0.41 C ATOM 289 CD2 PHE A 24 7.705 8.335 7.635 1.00 0.29 C ATOM 290 CE1 PHE A 24 10.025 7.856 9.049 1.00 0.48 C ATOM 291 CE2 PHE A 24 7.837 8.811 8.926 1.00 0.37 C ATOM 292 CZ PHE A 24 8.998 8.572 9.635 1.00 0.44 C ATOM 0 H PHE A 24 7.453 8.603 4.063 1.00 0.16 H new ATOM 0 HA PHE A 24 10.066 8.554 5.130 1.00 0.19 H new ATOM 0 HB2 PHE A 24 7.524 7.098 5.365 1.00 0.21 H new ATOM 0 HB3 PHE A 24 8.923 6.068 5.595 1.00 0.21 H new ATOM 0 HD1 PHE A 24 10.694 6.821 7.306 1.00 0.41 H new ATOM 0 HD2 PHE A 24 6.795 8.526 7.086 1.00 0.29 H new ATOM 0 HE1 PHE A 24 10.935 7.668 9.600 1.00 0.48 H new ATOM 0 HE2 PHE A 24 7.032 9.370 9.380 1.00 0.37 H new ATOM 0 HZ PHE A 24 9.103 8.943 10.644 1.00 0.44 H new ATOM 302 N MET A 25 9.535 6.763 2.483 1.00 0.15 N ATOM 303 CA MET A 25 10.162 5.942 1.463 1.00 0.20 C ATOM 304 C MET A 25 11.061 6.825 0.625 1.00 0.13 C ATOM 305 O MET A 25 12.171 6.442 0.257 1.00 0.14 O ATOM 306 CB MET A 25 9.095 5.258 0.610 1.00 0.32 C ATOM 307 CG MET A 25 8.336 4.163 1.356 1.00 0.52 C ATOM 308 SD MET A 25 8.474 4.284 3.151 1.00 1.14 S ATOM 309 CE MET A 25 9.917 3.284 3.485 1.00 0.69 C ATOM 0 H MET A 25 8.618 7.127 2.222 1.00 0.15 H new ATOM 0 HA MET A 25 10.763 5.157 1.922 1.00 0.20 H new ATOM 0 HB2 MET A 25 8.386 6.007 0.258 1.00 0.32 H new ATOM 0 HB3 MET A 25 9.567 4.827 -0.273 1.00 0.32 H new ATOM 0 HG2 MET A 25 7.283 4.207 1.077 1.00 0.52 H new ATOM 0 HG3 MET A 25 8.710 3.190 1.036 1.00 0.52 H new ATOM 0 HE1 MET A 25 10.113 3.274 4.557 1.00 0.69 H new ATOM 0 HE2 MET A 25 9.742 2.265 3.139 1.00 0.69 H new ATOM 0 HE3 MET A 25 10.778 3.701 2.963 1.00 0.69 H new ATOM 319 N GLU A 26 10.559 8.015 0.325 1.00 0.12 N ATOM 320 CA GLU A 26 11.323 9.007 -0.398 1.00 0.13 C ATOM 321 C GLU A 26 12.573 9.298 0.414 1.00 0.15 C ATOM 322 O GLU A 26 13.612 9.696 -0.112 1.00 0.19 O ATOM 323 CB GLU A 26 10.490 10.283 -0.564 1.00 0.16 C ATOM 324 CG GLU A 26 9.703 10.342 -1.860 1.00 0.24 C ATOM 325 CD GLU A 26 8.998 11.672 -2.054 1.00 1.12 C ATOM 326 OE1 GLU A 26 9.612 12.591 -2.634 1.00 1.01 O ATOM 327 OE2 GLU A 26 7.832 11.794 -1.622 1.00 2.15 O ATOM 0 H GLU A 26 9.617 8.313 0.577 1.00 0.12 H new ATOM 0 HA GLU A 26 11.590 8.645 -1.391 1.00 0.13 H new ATOM 0 HB2 GLU A 26 9.797 10.364 0.274 1.00 0.16 H new ATOM 0 HB3 GLU A 26 11.153 11.147 -0.514 1.00 0.16 H new ATOM 0 HG2 GLU A 26 10.377 10.166 -2.698 1.00 0.24 H new ATOM 0 HG3 GLU A 26 8.966 9.539 -1.870 1.00 0.24 H new ATOM 334 N GLN A 27 12.435 9.084 1.722 1.00 0.15 N ATOM 335 CA GLN A 27 13.513 9.286 2.672 1.00 0.19 C ATOM 336 C GLN A 27 14.371 8.037 2.791 1.00 0.18 C ATOM 337 O GLN A 27 15.597 8.126 2.798 1.00 0.20 O ATOM 338 CB GLN A 27 12.949 9.668 4.031 1.00 0.26 C ATOM 339 CG GLN A 27 12.592 11.138 4.136 1.00 0.37 C ATOM 340 CD GLN A 27 13.792 12.045 3.952 1.00 1.59 C ATOM 341 OE1 GLN A 27 14.115 12.450 2.835 1.00 2.46 O ATOM 342 NE2 GLN A 27 14.462 12.372 5.052 1.00 2.25 N ATOM 0 H GLN A 27 11.565 8.764 2.148 1.00 0.15 H new ATOM 0 HA GLN A 27 14.142 10.098 2.308 1.00 0.19 H new ATOM 0 HB2 GLN A 27 12.060 9.069 4.230 1.00 0.26 H new ATOM 0 HB3 GLN A 27 13.678 9.422 4.803 1.00 0.26 H new ATOM 0 HG2 GLN A 27 11.840 11.380 3.385 1.00 0.37 H new ATOM 0 HG3 GLN A 27 12.142 11.330 5.110 1.00 0.37 H new ATOM 0 HE21 GLN A 27 14.160 12.014 5.958 1.00 2.25 H new ATOM 0 HE22 GLN A 27 15.278 12.981 4.990 1.00 2.25 H new ATOM 351 N PHE A 28 13.727 6.870 2.897 1.00 0.20 N ATOM 352 CA PHE A 28 14.467 5.618 2.997 1.00 0.23 C ATOM 353 C PHE A 28 15.469 5.552 1.861 1.00 0.19 C ATOM 354 O PHE A 28 16.581 5.065 2.025 1.00 0.25 O ATOM 355 CB PHE A 28 13.542 4.404 2.951 1.00 0.27 C ATOM 356 CG PHE A 28 14.266 3.102 3.184 1.00 0.30 C ATOM 357 CD1 PHE A 28 14.494 2.641 4.470 1.00 0.48 C ATOM 358 CD2 PHE A 28 14.722 2.344 2.116 1.00 0.25 C ATOM 359 CE1 PHE A 28 15.163 1.450 4.687 1.00 0.53 C ATOM 360 CE2 PHE A 28 15.392 1.152 2.325 1.00 0.28 C ATOM 361 CZ PHE A 28 15.613 0.706 3.613 1.00 0.40 C ATOM 0 H PHE A 28 12.712 6.771 2.915 1.00 0.20 H new ATOM 0 HA PHE A 28 14.980 5.595 3.958 1.00 0.23 H new ATOM 0 HB2 PHE A 28 12.762 4.520 3.704 1.00 0.27 H new ATOM 0 HB3 PHE A 28 13.046 4.369 1.981 1.00 0.27 H new ATOM 0 HD1 PHE A 28 14.145 3.218 5.313 1.00 0.48 H new ATOM 0 HD2 PHE A 28 14.552 2.689 1.107 1.00 0.25 H new ATOM 0 HE1 PHE A 28 15.334 1.102 5.695 1.00 0.53 H new ATOM 0 HE2 PHE A 28 15.741 0.572 1.483 1.00 0.28 H new ATOM 0 HZ PHE A 28 16.137 -0.223 3.781 1.00 0.40 H new ATOM 371 N TYR A 29 15.049 6.052 0.703 1.00 0.14 N ATOM 372 CA TYR A 29 15.904 6.103 -0.472 1.00 0.15 C ATOM 373 C TYR A 29 16.941 7.197 -0.277 1.00 0.19 C ATOM 374 O TYR A 29 18.106 7.046 -0.648 1.00 0.26 O ATOM 375 CB TYR A 29 15.062 6.391 -1.718 1.00 0.16 C ATOM 376 CG TYR A 29 15.871 6.599 -2.980 1.00 0.23 C ATOM 377 CD1 TYR A 29 16.272 5.520 -3.760 1.00 0.27 C ATOM 378 CD2 TYR A 29 16.241 7.874 -3.387 1.00 0.29 C ATOM 379 CE1 TYR A 29 17.017 5.708 -4.908 1.00 0.34 C ATOM 380 CE2 TYR A 29 16.984 8.069 -4.534 1.00 0.37 C ATOM 381 CZ TYR A 29 17.345 6.976 -5.308 1.00 0.38 C ATOM 382 OH TYR A 29 18.112 7.177 -6.433 1.00 0.47 O ATOM 0 H TYR A 29 14.113 6.430 0.556 1.00 0.14 H new ATOM 0 HA TYR A 29 16.405 5.144 -0.607 1.00 0.15 H new ATOM 0 HB2 TYR A 29 14.371 5.563 -1.875 1.00 0.16 H new ATOM 0 HB3 TYR A 29 14.458 7.280 -1.537 1.00 0.16 H new ATOM 0 HD1 TYR A 29 15.997 4.519 -3.463 1.00 0.27 H new ATOM 0 HD2 TYR A 29 15.942 8.727 -2.796 1.00 0.29 H new ATOM 0 HE1 TYR A 29 17.340 4.857 -5.489 1.00 0.34 H new ATOM 0 HE2 TYR A 29 17.282 9.065 -4.826 1.00 0.37 H new ATOM 0 HH TYR A 29 18.247 8.138 -6.569 1.00 0.47 H new ATOM 392 N ALA A 30 16.497 8.305 0.313 1.00 0.18 N ATOM 393 CA ALA A 30 17.377 9.432 0.588 1.00 0.23 C ATOM 394 C ALA A 30 18.431 9.039 1.620 1.00 0.26 C ATOM 395 O ALA A 30 19.452 9.709 1.772 1.00 0.32 O ATOM 396 CB ALA A 30 16.560 10.618 1.081 1.00 0.24 C ATOM 0 H ALA A 30 15.531 8.444 0.609 1.00 0.18 H new ATOM 0 HA ALA A 30 17.888 9.718 -0.331 1.00 0.23 H new ATOM 0 HB1 ALA A 30 17.224 11.458 1.285 1.00 0.24 H new ATOM 0 HB2 ALA A 30 15.837 10.904 0.317 1.00 0.24 H new ATOM 0 HB3 ALA A 30 16.033 10.342 1.994 1.00 0.24 H new ATOM 402 N LYS A 31 18.166 7.942 2.323 1.00 0.25 N ATOM 403 CA LYS A 31 19.070 7.436 3.348 1.00 0.30 C ATOM 404 C LYS A 31 19.816 6.197 2.859 1.00 0.31 C ATOM 405 O LYS A 31 20.939 5.923 3.286 1.00 0.35 O ATOM 406 CB LYS A 31 18.276 7.089 4.610 1.00 0.31 C ATOM 407 CG LYS A 31 17.446 8.245 5.146 1.00 0.31 C ATOM 408 CD LYS A 31 16.149 7.756 5.771 1.00 0.33 C ATOM 409 CE LYS A 31 15.402 8.886 6.459 1.00 0.36 C ATOM 410 NZ LYS A 31 16.233 9.547 7.504 1.00 1.26 N ATOM 0 H LYS A 31 17.323 7.382 2.198 1.00 0.25 H new ATOM 0 HA LYS A 31 19.801 8.213 3.572 1.00 0.30 H new ATOM 0 HB2 LYS A 31 17.616 6.249 4.394 1.00 0.31 H new ATOM 0 HB3 LYS A 31 18.968 6.760 5.385 1.00 0.31 H new ATOM 0 HG2 LYS A 31 18.024 8.796 5.888 1.00 0.31 H new ATOM 0 HG3 LYS A 31 17.222 8.940 4.336 1.00 0.31 H new ATOM 0 HD2 LYS A 31 15.516 7.316 5.001 1.00 0.33 H new ATOM 0 HD3 LYS A 31 16.366 6.969 6.493 1.00 0.33 H new ATOM 0 HE2 LYS A 31 15.097 9.624 5.717 1.00 0.36 H new ATOM 0 HE3 LYS A 31 14.491 8.495 6.913 1.00 0.36 H new ATOM 0 HZ1 LYS A 31 15.654 9.717 8.351 1.00 1.26 H new ATOM 0 HZ2 LYS A 31 17.035 8.932 7.750 1.00 1.26 H new ATOM 0 HZ3 LYS A 31 16.590 10.454 7.141 1.00 1.26 H new ATOM 424 N LYS A 32 19.179 5.454 1.960 1.00 0.30 N ATOM 425 CA LYS A 32 19.752 4.230 1.416 1.00 0.32 C ATOM 426 C LYS A 32 20.069 4.366 -0.070 1.00 0.32 C ATOM 427 O LYS A 32 21.204 4.647 -0.456 1.00 0.38 O ATOM 428 CB LYS A 32 18.776 3.072 1.619 1.00 0.31 C ATOM 429 CG LYS A 32 18.942 2.344 2.940 1.00 0.37 C ATOM 430 CD LYS A 32 19.990 1.248 2.845 1.00 0.42 C ATOM 431 CE LYS A 32 19.856 0.251 3.985 1.00 0.54 C ATOM 432 NZ LYS A 32 18.749 -0.717 3.750 1.00 1.40 N ATOM 0 H LYS A 32 18.256 5.682 1.590 1.00 0.30 H new ATOM 0 HA LYS A 32 20.685 4.036 1.945 1.00 0.32 H new ATOM 0 HB2 LYS A 32 17.757 3.454 1.553 1.00 0.31 H new ATOM 0 HB3 LYS A 32 18.902 2.358 0.805 1.00 0.31 H new ATOM 0 HG2 LYS A 32 19.227 3.055 3.715 1.00 0.37 H new ATOM 0 HG3 LYS A 32 17.988 1.911 3.240 1.00 0.37 H new ATOM 0 HD2 LYS A 32 19.890 0.729 1.892 1.00 0.42 H new ATOM 0 HD3 LYS A 32 20.985 1.692 2.863 1.00 0.42 H new ATOM 0 HE2 LYS A 32 20.794 -0.292 4.104 1.00 0.54 H new ATOM 0 HE3 LYS A 32 19.677 0.787 4.917 1.00 0.54 H new ATOM 0 HZ1 LYS A 32 18.591 -1.279 4.611 1.00 1.40 H new ATOM 0 HZ2 LYS A 32 17.880 -0.199 3.510 1.00 1.40 H new ATOM 0 HZ3 LYS A 32 19.002 -1.350 2.965 1.00 1.40 H new ATOM 446 N GLY A 33 19.045 4.167 -0.896 1.00 0.30 N ATOM 447 CA GLY A 33 19.205 4.247 -2.335 1.00 0.32 C ATOM 448 C GLY A 33 18.402 3.174 -3.041 1.00 0.30 C ATOM 449 O GLY A 33 18.265 3.184 -4.264 1.00 0.34 O ATOM 0 H GLY A 33 18.097 3.949 -0.588 1.00 0.30 H new ATOM 0 HA2 GLY A 33 18.888 5.230 -2.684 1.00 0.32 H new ATOM 0 HA3 GLY A 33 20.259 4.143 -2.592 1.00 0.32 H new ATOM 453 N SER A 34 17.888 2.234 -2.257 1.00 0.28 N ATOM 454 CA SER A 34 17.082 1.138 -2.783 1.00 0.28 C ATOM 455 C SER A 34 16.273 0.493 -1.664 1.00 0.30 C ATOM 456 O SER A 34 16.568 0.698 -0.487 1.00 0.45 O ATOM 457 CB SER A 34 17.970 0.092 -3.457 1.00 0.30 C ATOM 458 OG SER A 34 18.875 -0.483 -2.530 1.00 1.19 O ATOM 0 H SER A 34 18.017 2.209 -1.245 1.00 0.28 H new ATOM 0 HA SER A 34 16.396 1.543 -3.527 1.00 0.28 H new ATOM 0 HB2 SER A 34 17.349 -0.689 -3.895 1.00 0.30 H new ATOM 0 HB3 SER A 34 18.525 0.554 -4.274 1.00 0.30 H new ATOM 0 HG SER A 34 19.430 -1.150 -2.985 1.00 1.19 H new ATOM 464 N PHE A 35 15.261 -0.289 -2.027 1.00 0.27 N ATOM 465 CA PHE A 35 14.432 -0.958 -1.026 1.00 0.30 C ATOM 466 C PHE A 35 14.741 -2.448 -0.945 1.00 0.30 C ATOM 467 O PHE A 35 15.324 -2.910 0.034 1.00 0.44 O ATOM 468 CB PHE A 35 12.942 -0.751 -1.301 1.00 0.39 C ATOM 469 CG PHE A 35 12.385 0.477 -0.652 1.00 0.51 C ATOM 470 CD1 PHE A 35 12.985 1.711 -0.838 1.00 0.74 C ATOM 471 CD2 PHE A 35 11.257 0.394 0.144 1.00 0.83 C ATOM 472 CE1 PHE A 35 12.471 2.840 -0.236 1.00 0.98 C ATOM 473 CE2 PHE A 35 10.739 1.519 0.746 1.00 1.07 C ATOM 474 CZ PHE A 35 11.347 2.743 0.555 1.00 1.06 C ATOM 0 H PHE A 35 14.996 -0.475 -2.994 1.00 0.27 H new ATOM 0 HA PHE A 35 14.674 -0.503 -0.066 1.00 0.30 H new ATOM 0 HB2 PHE A 35 12.784 -0.688 -2.378 1.00 0.39 H new ATOM 0 HB3 PHE A 35 12.390 -1.622 -0.948 1.00 0.39 H new ATOM 0 HD1 PHE A 35 13.864 1.790 -1.461 1.00 0.74 H new ATOM 0 HD2 PHE A 35 10.778 -0.562 0.295 1.00 0.83 H new ATOM 0 HE1 PHE A 35 12.948 3.798 -0.384 1.00 0.98 H new ATOM 0 HE2 PHE A 35 9.858 1.443 1.367 1.00 1.07 H new ATOM 0 HZ PHE A 35 10.941 3.626 1.026 1.00 1.06 H new ATOM 484 N LYS A 36 14.345 -3.201 -1.967 1.00 0.31 N ATOM 485 CA LYS A 36 14.588 -4.639 -1.978 1.00 0.31 C ATOM 486 C LYS A 36 16.026 -4.945 -2.371 1.00 0.26 C ATOM 487 O LYS A 36 16.634 -4.232 -3.168 1.00 0.34 O ATOM 488 CB LYS A 36 13.601 -5.344 -2.904 1.00 0.40 C ATOM 489 CG LYS A 36 14.034 -6.733 -3.347 1.00 0.78 C ATOM 490 CD LYS A 36 12.942 -7.416 -4.158 1.00 0.79 C ATOM 491 CE LYS A 36 13.513 -8.463 -5.101 1.00 0.70 C ATOM 492 NZ LYS A 36 12.447 -9.134 -5.897 1.00 0.88 N ATOM 0 H LYS A 36 13.860 -2.844 -2.790 1.00 0.31 H new ATOM 0 HA LYS A 36 14.433 -5.019 -0.968 1.00 0.31 H new ATOM 0 HB2 LYS A 36 12.639 -5.421 -2.398 1.00 0.40 H new ATOM 0 HB3 LYS A 36 13.447 -4.726 -3.788 1.00 0.40 H new ATOM 0 HG2 LYS A 36 14.943 -6.660 -3.944 1.00 0.78 H new ATOM 0 HG3 LYS A 36 14.274 -7.338 -2.473 1.00 0.78 H new ATOM 0 HD2 LYS A 36 12.227 -7.886 -3.483 1.00 0.79 H new ATOM 0 HD3 LYS A 36 12.394 -6.669 -4.732 1.00 0.79 H new ATOM 0 HE2 LYS A 36 14.228 -7.992 -5.776 1.00 0.70 H new ATOM 0 HE3 LYS A 36 14.061 -9.209 -4.526 1.00 0.70 H new ATOM 0 HZ1 LYS A 36 12.854 -9.940 -6.412 1.00 0.88 H new ATOM 0 HZ2 LYS A 36 11.699 -9.473 -5.259 1.00 0.88 H new ATOM 0 HZ3 LYS A 36 12.043 -8.458 -6.576 1.00 0.88 H new ATOM 506 N LEU A 37 16.557 -6.016 -1.800 1.00 0.29 N ATOM 507 CA LEU A 37 17.928 -6.417 -2.038 1.00 0.30 C ATOM 508 C LEU A 37 18.040 -7.842 -2.572 1.00 0.30 C ATOM 509 O LEU A 37 18.980 -8.161 -3.301 1.00 0.35 O ATOM 510 CB LEU A 37 18.715 -6.308 -0.730 1.00 0.32 C ATOM 511 CG LEU A 37 17.882 -6.404 0.560 1.00 0.40 C ATOM 512 CD1 LEU A 37 18.783 -6.703 1.748 1.00 1.34 C ATOM 513 CD2 LEU A 37 17.106 -5.114 0.798 1.00 1.36 C ATOM 0 H LEU A 37 16.048 -6.627 -1.161 1.00 0.29 H new ATOM 0 HA LEU A 37 18.336 -5.751 -2.798 1.00 0.30 H new ATOM 0 HB2 LEU A 37 19.468 -7.096 -0.714 1.00 0.32 H new ATOM 0 HB3 LEU A 37 19.248 -5.357 -0.726 1.00 0.32 H new ATOM 0 HG LEU A 37 17.167 -7.219 0.447 1.00 0.40 H new ATOM 0 HD11 LEU A 37 18.181 -6.768 2.654 1.00 1.34 H new ATOM 0 HD12 LEU A 37 19.297 -7.650 1.585 1.00 1.34 H new ATOM 0 HD13 LEU A 37 19.518 -5.905 1.857 1.00 1.34 H new ATOM 0 HD21 LEU A 37 16.524 -5.204 1.715 1.00 1.36 H new ATOM 0 HD22 LEU A 37 17.804 -4.282 0.891 1.00 1.36 H new ATOM 0 HD23 LEU A 37 16.435 -4.933 -0.042 1.00 1.36 H new ATOM 525 N THR A 38 17.089 -8.700 -2.216 1.00 0.28 N ATOM 526 CA THR A 38 17.136 -10.091 -2.645 1.00 0.32 C ATOM 527 C THR A 38 15.744 -10.655 -2.902 1.00 0.31 C ATOM 528 O THR A 38 14.744 -9.962 -2.749 1.00 0.33 O ATOM 529 CB THR A 38 17.811 -10.945 -1.563 1.00 0.36 C ATOM 530 OG1 THR A 38 17.947 -12.301 -2.008 1.00 0.49 O ATOM 531 CG2 THR A 38 16.989 -10.901 -0.283 1.00 0.42 C ATOM 0 H THR A 38 16.284 -8.459 -1.637 1.00 0.28 H new ATOM 0 HA THR A 38 17.703 -10.123 -3.576 1.00 0.32 H new ATOM 0 HB THR A 38 18.804 -10.540 -1.367 1.00 0.36 H new ATOM 0 HG1 THR A 38 18.381 -12.833 -1.308 1.00 0.49 H new ATOM 0 HG21 THR A 38 17.473 -11.509 0.481 1.00 0.42 H new ATOM 0 HG22 THR A 38 16.914 -9.871 0.066 1.00 0.42 H new ATOM 0 HG23 THR A 38 15.990 -11.291 -0.478 1.00 0.42 H new ATOM 539 N SER A 39 15.694 -11.914 -3.320 1.00 0.46 N ATOM 540 CA SER A 39 14.428 -12.581 -3.567 1.00 0.47 C ATOM 541 C SER A 39 13.877 -13.165 -2.274 1.00 0.43 C ATOM 542 O SER A 39 14.599 -13.819 -1.522 1.00 0.50 O ATOM 543 CB SER A 39 14.587 -13.683 -4.617 1.00 0.58 C ATOM 544 OG SER A 39 15.494 -14.680 -4.179 1.00 1.34 O ATOM 0 H SER A 39 16.517 -12.491 -3.494 1.00 0.46 H new ATOM 0 HA SER A 39 13.724 -11.842 -3.950 1.00 0.47 H new ATOM 0 HB2 SER A 39 13.617 -14.135 -4.823 1.00 0.58 H new ATOM 0 HB3 SER A 39 14.942 -13.250 -5.552 1.00 0.58 H new ATOM 0 HG SER A 39 15.576 -15.373 -4.867 1.00 1.34 H new ATOM 550 N THR A 40 12.603 -12.895 -2.021 1.00 0.38 N ATOM 551 CA THR A 40 11.904 -13.388 -0.831 1.00 0.36 C ATOM 552 C THR A 40 12.404 -12.699 0.438 1.00 0.33 C ATOM 553 O THR A 40 12.750 -13.345 1.429 1.00 0.35 O ATOM 554 CB THR A 40 11.998 -14.921 -0.684 1.00 0.43 C ATOM 555 OG1 THR A 40 13.283 -15.310 -0.187 1.00 0.47 O ATOM 556 CG2 THR A 40 11.737 -15.593 -2.020 1.00 0.46 C ATOM 0 H THR A 40 12.019 -12.326 -2.635 1.00 0.38 H new ATOM 0 HA THR A 40 10.852 -13.137 -0.969 1.00 0.36 H new ATOM 0 HB THR A 40 11.240 -15.239 0.032 1.00 0.43 H new ATOM 0 HG1 THR A 40 13.979 -15.002 -0.804 1.00 0.47 H new ATOM 0 HG21 THR A 40 11.806 -16.674 -1.903 1.00 0.46 H new ATOM 0 HG22 THR A 40 10.739 -15.329 -2.371 1.00 0.46 H new ATOM 0 HG23 THR A 40 12.478 -15.259 -2.746 1.00 0.46 H new ATOM 564 N LYS A 41 12.426 -11.372 0.382 1.00 0.30 N ATOM 565 CA LYS A 41 12.845 -10.529 1.492 1.00 0.27 C ATOM 566 C LYS A 41 11.793 -9.445 1.716 1.00 0.24 C ATOM 567 O LYS A 41 11.069 -9.093 0.785 1.00 0.24 O ATOM 568 CB LYS A 41 14.182 -9.911 1.160 1.00 0.30 C ATOM 569 CG LYS A 41 14.097 -9.001 -0.031 1.00 0.99 C ATOM 570 CD LYS A 41 14.897 -7.744 0.158 1.00 0.96 C ATOM 571 CE LYS A 41 14.481 -6.979 1.395 1.00 0.39 C ATOM 572 NZ LYS A 41 15.323 -7.316 2.578 1.00 1.13 N ATOM 0 H LYS A 41 12.149 -10.846 -0.447 1.00 0.30 H new ATOM 0 HA LYS A 41 12.945 -11.118 2.404 1.00 0.27 H new ATOM 0 HB2 LYS A 41 14.546 -9.350 2.020 1.00 0.30 H new ATOM 0 HB3 LYS A 41 14.908 -10.700 0.963 1.00 0.30 H new ATOM 0 HG2 LYS A 41 14.455 -9.528 -0.915 1.00 0.99 H new ATOM 0 HG3 LYS A 41 13.054 -8.742 -0.215 1.00 0.99 H new ATOM 0 HD2 LYS A 41 15.955 -7.997 0.228 1.00 0.96 H new ATOM 0 HD3 LYS A 41 14.779 -7.106 -0.718 1.00 0.96 H new ATOM 0 HE2 LYS A 41 14.547 -5.909 1.197 1.00 0.39 H new ATOM 0 HE3 LYS A 41 13.437 -7.197 1.621 1.00 0.39 H new ATOM 0 HZ1 LYS A 41 14.779 -7.915 3.232 1.00 1.13 H new ATOM 0 HZ2 LYS A 41 16.172 -7.828 2.265 1.00 1.13 H new ATOM 0 HZ3 LYS A 41 15.606 -6.441 3.064 1.00 1.13 H new ATOM 586 N TRP A 42 11.702 -8.906 2.926 1.00 0.21 N ATOM 587 CA TRP A 42 10.676 -7.901 3.197 1.00 0.18 C ATOM 588 C TRP A 42 11.167 -6.661 3.945 1.00 0.17 C ATOM 589 O TRP A 42 11.356 -6.696 5.162 1.00 0.20 O ATOM 590 CB TRP A 42 9.534 -8.530 3.994 1.00 0.20 C ATOM 591 CG TRP A 42 8.382 -8.976 3.150 1.00 0.19 C ATOM 592 CD1 TRP A 42 8.107 -8.594 1.870 1.00 0.18 C ATOM 593 CD2 TRP A 42 7.337 -9.878 3.529 1.00 0.21 C ATOM 594 NE1 TRP A 42 6.963 -9.200 1.431 1.00 0.20 N ATOM 595 CE2 TRP A 42 6.472 -9.993 2.427 1.00 0.21 C ATOM 596 CE3 TRP A 42 7.047 -10.602 4.690 1.00 0.25 C ATOM 597 CZ2 TRP A 42 5.342 -10.794 2.447 1.00 0.24 C ATOM 598 CZ3 TRP A 42 5.920 -11.403 4.710 1.00 0.27 C ATOM 599 CH2 TRP A 42 5.079 -11.493 3.593 1.00 0.27 C ATOM 0 H TRP A 42 12.305 -9.137 3.715 1.00 0.21 H new ATOM 0 HA TRP A 42 10.348 -7.558 2.216 1.00 0.18 H new ATOM 0 HB2 TRP A 42 9.919 -9.386 4.548 1.00 0.20 H new ATOM 0 HB3 TRP A 42 9.176 -7.809 4.729 1.00 0.20 H new ATOM 0 HD1 TRP A 42 8.707 -7.911 1.287 1.00 0.18 H new ATOM 0 HE1 TRP A 42 6.544 -9.079 0.509 1.00 0.20 H new ATOM 0 HE3 TRP A 42 7.691 -10.537 5.554 1.00 0.25 H new ATOM 0 HZ2 TRP A 42 4.691 -10.864 1.588 1.00 0.24 H new ATOM 0 HZ3 TRP A 42 5.685 -11.968 5.600 1.00 0.27 H new ATOM 0 HH2 TRP A 42 4.206 -12.127 3.638 1.00 0.27 H new ATOM 610 N PRO A 43 11.384 -5.541 3.222 1.00 0.16 N ATOM 611 CA PRO A 43 11.757 -4.268 3.847 1.00 0.16 C ATOM 612 C PRO A 43 10.572 -3.733 4.657 1.00 0.16 C ATOM 613 O PRO A 43 9.475 -3.599 4.123 1.00 0.22 O ATOM 614 CB PRO A 43 12.055 -3.349 2.653 1.00 0.16 C ATOM 615 CG PRO A 43 11.340 -3.963 1.499 1.00 0.16 C ATOM 616 CD PRO A 43 11.323 -5.443 1.752 1.00 0.15 C ATOM 0 HA PRO A 43 12.602 -4.349 4.531 1.00 0.16 H new ATOM 0 HB2 PRO A 43 11.703 -2.334 2.840 1.00 0.16 H new ATOM 0 HB3 PRO A 43 13.126 -3.285 2.463 1.00 0.16 H new ATOM 0 HG2 PRO A 43 10.326 -3.571 1.417 1.00 0.16 H new ATOM 0 HG3 PRO A 43 11.847 -3.735 0.562 1.00 0.16 H new ATOM 0 HD2 PRO A 43 10.420 -5.908 1.356 1.00 0.15 H new ATOM 0 HD3 PRO A 43 12.171 -5.941 1.281 1.00 0.15 H new ATOM 624 N GLU A 44 10.780 -3.424 5.934 1.00 0.22 N ATOM 625 CA GLU A 44 9.685 -2.959 6.778 1.00 0.24 C ATOM 626 C GLU A 44 9.038 -1.671 6.274 1.00 0.23 C ATOM 627 O GLU A 44 9.704 -0.773 5.757 1.00 0.25 O ATOM 628 CB GLU A 44 10.133 -2.785 8.215 1.00 0.32 C ATOM 629 CG GLU A 44 8.971 -2.565 9.151 1.00 0.41 C ATOM 630 CD GLU A 44 8.917 -1.152 9.697 1.00 0.89 C ATOM 631 OE1 GLU A 44 9.259 -0.213 8.947 1.00 1.31 O ATOM 632 OE2 GLU A 44 8.526 -0.983 10.871 1.00 1.31 O ATOM 0 H GLU A 44 11.684 -3.486 6.402 1.00 0.22 H new ATOM 0 HA GLU A 44 8.925 -3.739 6.730 1.00 0.24 H new ATOM 0 HB2 GLU A 44 10.689 -3.668 8.530 1.00 0.32 H new ATOM 0 HB3 GLU A 44 10.816 -1.938 8.281 1.00 0.32 H new ATOM 0 HG2 GLU A 44 8.041 -2.783 8.626 1.00 0.41 H new ATOM 0 HG3 GLU A 44 9.041 -3.268 9.981 1.00 0.41 H new ATOM 639 N LEU A 45 7.721 -1.613 6.446 1.00 0.22 N ATOM 640 CA LEU A 45 6.905 -0.473 6.030 1.00 0.23 C ATOM 641 C LEU A 45 6.737 0.544 7.163 1.00 0.19 C ATOM 642 O LEU A 45 6.744 0.178 8.339 1.00 0.20 O ATOM 643 CB LEU A 45 5.524 -0.973 5.610 1.00 0.32 C ATOM 644 CG LEU A 45 4.713 -1.602 6.744 1.00 0.38 C ATOM 645 CD1 LEU A 45 3.345 -0.968 6.847 1.00 1.16 C ATOM 646 CD2 LEU A 45 4.638 -3.111 6.601 1.00 1.17 C ATOM 0 H LEU A 45 7.183 -2.362 6.882 1.00 0.22 H new ATOM 0 HA LEU A 45 7.411 0.018 5.199 1.00 0.23 H new ATOM 0 HB2 LEU A 45 4.959 -0.139 5.194 1.00 0.32 H new ATOM 0 HB3 LEU A 45 5.643 -1.707 4.813 1.00 0.32 H new ATOM 0 HG LEU A 45 5.231 -1.402 7.682 1.00 0.38 H new ATOM 0 HD11 LEU A 45 2.789 -1.433 7.661 1.00 1.16 H new ATOM 0 HD12 LEU A 45 3.452 0.099 7.044 1.00 1.16 H new ATOM 0 HD13 LEU A 45 2.806 -1.112 5.911 1.00 1.16 H new ATOM 0 HD21 LEU A 45 4.055 -3.526 7.423 1.00 1.17 H new ATOM 0 HD22 LEU A 45 4.161 -3.363 5.654 1.00 1.17 H new ATOM 0 HD23 LEU A 45 5.644 -3.529 6.623 1.00 1.17 H new ATOM 658 N PRO A 46 6.572 1.836 6.821 1.00 0.20 N ATOM 659 CA PRO A 46 6.381 2.897 7.808 1.00 0.19 C ATOM 660 C PRO A 46 4.948 2.985 8.343 1.00 0.16 C ATOM 661 O PRO A 46 4.689 2.614 9.489 1.00 0.19 O ATOM 662 CB PRO A 46 6.750 4.163 7.036 1.00 0.24 C ATOM 663 CG PRO A 46 6.439 3.848 5.611 1.00 0.27 C ATOM 664 CD PRO A 46 6.603 2.362 5.445 1.00 0.26 C ATOM 0 HA PRO A 46 6.985 2.725 8.699 1.00 0.19 H new ATOM 0 HB2 PRO A 46 6.175 5.021 7.386 1.00 0.24 H new ATOM 0 HB3 PRO A 46 7.803 4.411 7.165 1.00 0.24 H new ATOM 0 HG2 PRO A 46 5.423 4.155 5.361 1.00 0.27 H new ATOM 0 HG3 PRO A 46 7.109 4.387 4.941 1.00 0.27 H new ATOM 0 HD2 PRO A 46 5.802 1.939 4.839 1.00 0.26 H new ATOM 0 HD3 PRO A 46 7.542 2.119 4.947 1.00 0.26 H new ATOM 672 N VAL A 47 4.017 3.472 7.520 1.00 0.14 N ATOM 673 CA VAL A 47 2.624 3.605 7.947 1.00 0.14 C ATOM 674 C VAL A 47 1.912 2.261 7.895 1.00 0.15 C ATOM 675 O VAL A 47 2.019 1.528 6.917 1.00 0.14 O ATOM 676 CB VAL A 47 1.829 4.627 7.094 1.00 0.13 C ATOM 677 CG1 VAL A 47 1.554 4.083 5.706 1.00 0.12 C ATOM 678 CG2 VAL A 47 0.528 5.009 7.790 1.00 0.14 C ATOM 0 H VAL A 47 4.200 3.778 6.564 1.00 0.14 H new ATOM 0 HA VAL A 47 2.657 3.974 8.972 1.00 0.14 H new ATOM 0 HB VAL A 47 2.439 5.524 6.987 1.00 0.13 H new ATOM 0 HG11 VAL A 47 0.995 4.821 5.130 1.00 0.12 H new ATOM 0 HG12 VAL A 47 2.498 3.871 5.205 1.00 0.12 H new ATOM 0 HG13 VAL A 47 0.970 3.166 5.784 1.00 0.12 H new ATOM 0 HG21 VAL A 47 -0.016 5.727 7.176 1.00 0.14 H new ATOM 0 HG22 VAL A 47 -0.083 4.118 7.934 1.00 0.14 H new ATOM 0 HG23 VAL A 47 0.751 5.456 8.759 1.00 0.14 H new ATOM 688 N LYS A 48 1.184 1.952 8.955 1.00 0.19 N ATOM 689 CA LYS A 48 0.446 0.703 9.042 1.00 0.22 C ATOM 690 C LYS A 48 -1.034 0.994 9.211 1.00 0.27 C ATOM 691 O LYS A 48 -1.855 0.082 9.309 1.00 0.32 O ATOM 692 CB LYS A 48 0.943 -0.139 10.218 1.00 0.25 C ATOM 693 CG LYS A 48 2.456 -0.144 10.374 1.00 0.23 C ATOM 694 CD LYS A 48 2.888 0.559 11.653 1.00 0.24 C ATOM 695 CE LYS A 48 2.446 2.013 11.669 1.00 0.26 C ATOM 696 NZ LYS A 48 2.911 2.723 12.894 1.00 0.33 N ATOM 0 H LYS A 48 1.088 2.554 9.773 1.00 0.19 H new ATOM 0 HA LYS A 48 0.606 0.141 8.122 1.00 0.22 H new ATOM 0 HB2 LYS A 48 0.494 0.237 11.137 1.00 0.25 H new ATOM 0 HB3 LYS A 48 0.597 -1.165 10.090 1.00 0.25 H new ATOM 0 HG2 LYS A 48 2.818 -1.172 10.383 1.00 0.23 H new ATOM 0 HG3 LYS A 48 2.913 0.348 9.515 1.00 0.23 H new ATOM 0 HD2 LYS A 48 2.466 0.040 12.514 1.00 0.24 H new ATOM 0 HD3 LYS A 48 3.972 0.507 11.749 1.00 0.24 H new ATOM 0 HE2 LYS A 48 2.835 2.520 10.786 1.00 0.26 H new ATOM 0 HE3 LYS A 48 1.359 2.062 11.612 1.00 0.26 H new ATOM 0 HZ1 LYS A 48 2.589 3.711 12.866 1.00 0.33 H new ATOM 0 HZ2 LYS A 48 2.519 2.255 13.736 1.00 0.33 H new ATOM 0 HZ3 LYS A 48 3.950 2.699 12.936 1.00 0.33 H new ATOM 710 N GLU A 49 -1.363 2.280 9.247 1.00 0.27 N ATOM 711 CA GLU A 49 -2.742 2.710 9.414 1.00 0.34 C ATOM 712 C GLU A 49 -2.902 4.194 9.105 1.00 0.34 C ATOM 713 O GLU A 49 -2.047 5.015 9.440 1.00 0.39 O ATOM 714 CB GLU A 49 -3.211 2.432 10.836 1.00 0.41 C ATOM 715 CG GLU A 49 -4.630 2.901 11.108 1.00 0.61 C ATOM 716 CD GLU A 49 -5.039 2.716 12.556 1.00 0.74 C ATOM 717 OE1 GLU A 49 -5.568 1.636 12.891 1.00 0.87 O ATOM 718 OE2 GLU A 49 -4.831 3.654 13.354 1.00 0.83 O ATOM 0 H GLU A 49 -0.691 3.043 9.162 1.00 0.27 H new ATOM 0 HA GLU A 49 -3.353 2.145 8.711 1.00 0.34 H new ATOM 0 HB2 GLU A 49 -3.148 1.361 11.028 1.00 0.41 H new ATOM 0 HB3 GLU A 49 -2.534 2.922 11.536 1.00 0.41 H new ATOM 0 HG2 GLU A 49 -4.718 3.954 10.842 1.00 0.61 H new ATOM 0 HG3 GLU A 49 -5.319 2.352 10.467 1.00 0.61 H new ATOM 725 N ALA A 50 -4.014 4.517 8.465 1.00 0.36 N ATOM 726 CA ALA A 50 -4.341 5.887 8.097 1.00 0.36 C ATOM 727 C ALA A 50 -5.361 6.484 9.060 1.00 0.50 C ATOM 728 O ALA A 50 -5.091 7.465 9.754 1.00 1.30 O ATOM 729 CB ALA A 50 -4.898 5.911 6.685 1.00 0.29 C ATOM 0 H ALA A 50 -4.718 3.835 8.185 1.00 0.36 H new ATOM 0 HA ALA A 50 -3.431 6.485 8.148 1.00 0.36 H new ATOM 0 HB1 ALA A 50 -5.143 6.936 6.408 1.00 0.29 H new ATOM 0 HB2 ALA A 50 -4.154 5.517 5.993 1.00 0.29 H new ATOM 0 HB3 ALA A 50 -5.798 5.297 6.638 1.00 0.29 H new ATOM 735 N GLY A 51 -6.536 5.871 9.084 1.00 0.37 N ATOM 736 CA GLY A 51 -7.624 6.319 9.934 1.00 0.35 C ATOM 737 C GLY A 51 -8.875 5.512 9.657 1.00 0.33 C ATOM 738 O GLY A 51 -9.726 5.327 10.527 1.00 0.50 O ATOM 0 H GLY A 51 -6.759 5.053 8.517 1.00 0.37 H new ATOM 0 HA2 GLY A 51 -7.342 6.216 10.982 1.00 0.35 H new ATOM 0 HA3 GLY A 51 -7.819 7.377 9.759 1.00 0.35 H new ATOM 742 N GLY A 52 -8.964 5.038 8.420 1.00 0.19 N ATOM 743 CA GLY A 52 -10.071 4.216 7.986 1.00 0.18 C ATOM 744 C GLY A 52 -9.552 3.046 7.188 1.00 0.14 C ATOM 745 O GLY A 52 -10.290 2.125 6.855 1.00 0.16 O ATOM 0 H GLY A 52 -8.268 5.216 7.696 1.00 0.19 H new ATOM 0 HA2 GLY A 52 -10.632 3.859 8.850 1.00 0.18 H new ATOM 0 HA3 GLY A 52 -10.759 4.806 7.380 1.00 0.18 H new ATOM 749 N PHE A 53 -8.265 3.122 6.861 1.00 0.11 N ATOM 750 CA PHE A 53 -7.569 2.072 6.132 1.00 0.09 C ATOM 751 C PHE A 53 -6.347 1.627 6.933 1.00 0.11 C ATOM 752 O PHE A 53 -5.899 2.335 7.834 1.00 0.13 O ATOM 753 CB PHE A 53 -7.090 2.571 4.758 1.00 0.09 C ATOM 754 CG PHE A 53 -8.065 2.381 3.624 1.00 0.08 C ATOM 755 CD1 PHE A 53 -9.388 2.764 3.736 1.00 0.09 C ATOM 756 CD2 PHE A 53 -7.640 1.819 2.434 1.00 0.09 C ATOM 757 CE1 PHE A 53 -10.268 2.585 2.688 1.00 0.10 C ATOM 758 CE2 PHE A 53 -8.514 1.637 1.382 1.00 0.10 C ATOM 759 CZ PHE A 53 -9.831 2.020 1.510 1.00 0.10 C ATOM 0 H PHE A 53 -7.674 3.919 7.097 1.00 0.11 H new ATOM 0 HA PHE A 53 -8.264 1.245 5.987 1.00 0.09 H new ATOM 0 HB2 PHE A 53 -6.854 3.632 4.838 1.00 0.09 H new ATOM 0 HB3 PHE A 53 -6.162 2.057 4.507 1.00 0.09 H new ATOM 0 HD1 PHE A 53 -9.738 3.209 4.656 1.00 0.09 H new ATOM 0 HD2 PHE A 53 -6.608 1.518 2.327 1.00 0.09 H new ATOM 0 HE1 PHE A 53 -11.299 2.888 2.791 1.00 0.10 H new ATOM 0 HE2 PHE A 53 -8.166 1.195 0.460 1.00 0.10 H new ATOM 0 HZ PHE A 53 -10.519 1.878 0.690 1.00 0.10 H new ATOM 769 N CYS A 54 -5.815 0.456 6.610 1.00 0.13 N ATOM 770 CA CYS A 54 -4.612 -0.039 7.269 1.00 0.16 C ATOM 771 C CYS A 54 -3.572 -0.345 6.209 1.00 0.14 C ATOM 772 O CYS A 54 -3.887 -0.889 5.153 1.00 0.14 O ATOM 773 CB CYS A 54 -4.887 -1.265 8.142 1.00 0.24 C ATOM 774 SG CYS A 54 -5.081 -2.826 7.226 1.00 1.41 S ATOM 0 H CYS A 54 -6.195 -0.168 5.898 1.00 0.13 H new ATOM 0 HA CYS A 54 -4.241 0.733 7.944 1.00 0.16 H new ATOM 0 HB2 CYS A 54 -4.070 -1.377 8.854 1.00 0.24 H new ATOM 0 HB3 CYS A 54 -5.792 -1.085 8.722 1.00 0.24 H new ATOM 779 N ILE A 55 -2.331 -0.003 6.500 1.00 0.14 N ATOM 780 CA ILE A 55 -1.266 -0.153 5.528 1.00 0.13 C ATOM 781 C ILE A 55 -0.238 -1.221 5.885 1.00 0.13 C ATOM 782 O ILE A 55 -0.012 -1.542 7.051 1.00 0.15 O ATOM 783 CB ILE A 55 -0.563 1.202 5.342 1.00 0.12 C ATOM 784 CG1 ILE A 55 -1.583 2.269 4.945 1.00 0.11 C ATOM 785 CG2 ILE A 55 0.545 1.105 4.306 1.00 0.11 C ATOM 786 CD1 ILE A 55 -2.430 2.782 6.088 1.00 0.11 C ATOM 0 H ILE A 55 -2.037 0.379 7.399 1.00 0.14 H new ATOM 0 HA ILE A 55 -1.734 -0.489 4.603 1.00 0.13 H new ATOM 0 HB ILE A 55 -0.106 1.487 6.290 1.00 0.12 H new ATOM 0 HG12 ILE A 55 -1.054 3.110 4.495 1.00 0.11 H new ATOM 0 HG13 ILE A 55 -2.240 1.858 4.178 1.00 0.11 H new ATOM 0 HG21 ILE A 55 1.025 2.077 4.195 1.00 0.11 H new ATOM 0 HG22 ILE A 55 1.283 0.371 4.630 1.00 0.11 H new ATOM 0 HG23 ILE A 55 0.123 0.797 3.349 1.00 0.11 H new ATOM 0 HD11 ILE A 55 -3.125 3.535 5.716 1.00 0.11 H new ATOM 0 HD12 ILE A 55 -2.990 1.955 6.525 1.00 0.11 H new ATOM 0 HD13 ILE A 55 -1.786 3.226 6.847 1.00 0.11 H new ATOM 798 N ARG A 56 0.368 -1.766 4.834 1.00 0.13 N ATOM 799 CA ARG A 56 1.401 -2.789 4.949 1.00 0.14 C ATOM 800 C ARG A 56 2.355 -2.686 3.764 1.00 0.15 C ATOM 801 O ARG A 56 2.028 -2.075 2.746 1.00 0.29 O ATOM 802 CB ARG A 56 0.775 -4.185 4.993 1.00 0.14 C ATOM 803 CG ARG A 56 0.235 -4.576 6.358 1.00 0.23 C ATOM 804 CD ARG A 56 1.359 -4.801 7.356 1.00 0.29 C ATOM 805 NE ARG A 56 0.854 -5.139 8.684 1.00 0.43 N ATOM 806 CZ ARG A 56 1.603 -5.130 9.784 1.00 0.57 C ATOM 807 NH1 ARG A 56 2.887 -4.804 9.714 1.00 0.71 N ATOM 808 NH2 ARG A 56 1.068 -5.446 10.955 1.00 0.69 N ATOM 0 H ARG A 56 0.154 -1.507 3.871 1.00 0.13 H new ATOM 0 HA ARG A 56 1.952 -2.629 5.876 1.00 0.14 H new ATOM 0 HB2 ARG A 56 -0.036 -4.232 4.266 1.00 0.14 H new ATOM 0 HB3 ARG A 56 1.522 -4.917 4.686 1.00 0.14 H new ATOM 0 HG2 ARG A 56 -0.429 -3.794 6.726 1.00 0.23 H new ATOM 0 HG3 ARG A 56 -0.361 -5.484 6.269 1.00 0.23 H new ATOM 0 HD2 ARG A 56 2.005 -5.603 6.999 1.00 0.29 H new ATOM 0 HD3 ARG A 56 1.972 -3.902 7.420 1.00 0.29 H new ATOM 0 HE ARG A 56 -0.129 -5.397 8.774 1.00 0.43 H new ATOM 0 HH11 ARG A 56 3.303 -4.559 8.815 1.00 0.71 H new ATOM 0 HH12 ARG A 56 3.458 -4.798 10.559 1.00 0.71 H new ATOM 0 HH21 ARG A 56 0.081 -5.697 11.014 1.00 0.69 H new ATOM 0 HH22 ARG A 56 1.643 -5.439 11.797 1.00 0.69 H new ATOM 822 N MET A 57 3.530 -3.282 3.901 1.00 0.14 N ATOM 823 CA MET A 57 4.531 -3.253 2.847 1.00 0.14 C ATOM 824 C MET A 57 4.027 -3.978 1.610 1.00 0.13 C ATOM 825 O MET A 57 3.118 -4.803 1.705 1.00 0.15 O ATOM 826 CB MET A 57 5.843 -3.868 3.322 1.00 0.17 C ATOM 827 CG MET A 57 7.028 -3.460 2.470 1.00 0.18 C ATOM 828 SD MET A 57 8.048 -4.861 1.991 1.00 0.18 S ATOM 829 CE MET A 57 6.844 -5.833 1.100 1.00 0.15 C ATOM 0 H MET A 57 3.814 -3.794 4.736 1.00 0.14 H new ATOM 0 HA MET A 57 4.716 -2.210 2.589 1.00 0.14 H new ATOM 0 HB2 MET A 57 6.025 -3.571 4.355 1.00 0.17 H new ATOM 0 HB3 MET A 57 5.753 -4.954 3.314 1.00 0.17 H new ATOM 0 HG2 MET A 57 6.670 -2.953 1.574 1.00 0.18 H new ATOM 0 HG3 MET A 57 7.637 -2.743 3.020 1.00 0.18 H new ATOM 0 HE1 MET A 57 7.326 -6.719 0.686 1.00 0.15 H new ATOM 0 HE2 MET A 57 6.047 -6.137 1.779 1.00 0.15 H new ATOM 0 HE3 MET A 57 6.423 -5.237 0.290 1.00 0.15 H new ATOM 839 N SER A 58 4.578 -3.618 0.445 1.00 0.13 N ATOM 840 CA SER A 58 4.193 -4.235 -0.828 1.00 0.15 C ATOM 841 C SER A 58 3.991 -5.754 -0.682 1.00 0.16 C ATOM 842 O SER A 58 4.238 -6.322 0.371 1.00 0.18 O ATOM 843 CB SER A 58 5.233 -3.913 -1.909 1.00 0.15 C ATOM 844 OG SER A 58 5.024 -4.692 -3.075 1.00 0.52 O ATOM 0 H SER A 58 5.296 -2.898 0.359 1.00 0.13 H new ATOM 0 HA SER A 58 3.235 -3.814 -1.134 1.00 0.15 H new ATOM 0 HB2 SER A 58 5.181 -2.854 -2.163 1.00 0.15 H new ATOM 0 HB3 SER A 58 6.234 -4.099 -1.520 1.00 0.15 H new ATOM 0 HG SER A 58 4.223 -4.375 -3.541 1.00 0.52 H new ATOM 850 N GLY A 59 3.569 -6.397 -1.764 1.00 0.18 N ATOM 851 CA GLY A 59 3.257 -7.826 -1.755 1.00 0.21 C ATOM 852 C GLY A 59 4.266 -8.764 -1.141 1.00 0.22 C ATOM 853 O GLY A 59 4.842 -8.517 -0.086 1.00 0.21 O ATOM 0 H GLY A 59 3.433 -5.948 -2.670 1.00 0.18 H new ATOM 0 HA2 GLY A 59 2.312 -7.959 -1.228 1.00 0.21 H new ATOM 0 HA3 GLY A 59 3.093 -8.139 -2.786 1.00 0.21 H new ATOM 857 N GLN A 60 4.404 -9.894 -1.811 1.00 0.27 N ATOM 858 CA GLN A 60 5.282 -10.965 -1.398 1.00 0.30 C ATOM 859 C GLN A 60 6.743 -10.612 -1.465 1.00 0.26 C ATOM 860 O GLN A 60 7.201 -9.973 -2.398 1.00 0.25 O ATOM 861 CB GLN A 60 5.025 -12.156 -2.285 1.00 0.38 C ATOM 862 CG GLN A 60 3.885 -12.986 -1.791 1.00 0.72 C ATOM 863 CD GLN A 60 3.375 -13.968 -2.827 1.00 0.72 C ATOM 864 OE1 GLN A 60 3.461 -13.719 -4.030 1.00 1.13 O ATOM 865 NE2 GLN A 60 2.837 -15.091 -2.366 1.00 1.53 N ATOM 0 H GLN A 60 3.897 -10.093 -2.674 1.00 0.27 H new ATOM 0 HA GLN A 60 5.062 -11.176 -0.351 1.00 0.30 H new ATOM 0 HB2 GLN A 60 4.813 -11.814 -3.298 1.00 0.38 H new ATOM 0 HB3 GLN A 60 5.924 -12.770 -2.338 1.00 0.38 H new ATOM 0 HG2 GLN A 60 4.200 -13.534 -0.903 1.00 0.72 H new ATOM 0 HG3 GLN A 60 3.069 -12.330 -1.488 1.00 0.72 H new ATOM 0 HE21 GLN A 60 2.786 -15.257 -1.361 1.00 1.53 H new ATOM 0 HE22 GLN A 60 2.475 -15.788 -3.017 1.00 1.53 H new ATOM 874 N ALA A 61 7.469 -11.093 -0.473 1.00 0.27 N ATOM 875 CA ALA A 61 8.900 -10.870 -0.383 1.00 0.25 C ATOM 876 C ALA A 61 9.572 -11.272 -1.684 1.00 0.25 C ATOM 877 O ALA A 61 10.630 -10.753 -2.038 1.00 0.25 O ATOM 878 CB ALA A 61 9.474 -11.665 0.774 1.00 0.27 C ATOM 0 H ALA A 61 7.084 -11.648 0.291 1.00 0.27 H new ATOM 0 HA ALA A 61 9.086 -9.810 -0.208 1.00 0.25 H new ATOM 0 HB1 ALA A 61 10.549 -11.493 0.836 1.00 0.27 H new ATOM 0 HB2 ALA A 61 9.002 -11.347 1.704 1.00 0.27 H new ATOM 0 HB3 ALA A 61 9.285 -12.727 0.615 1.00 0.27 H new ATOM 884 N LYS A 62 8.943 -12.208 -2.390 1.00 0.29 N ATOM 885 CA LYS A 62 9.469 -12.681 -3.663 1.00 0.32 C ATOM 886 C LYS A 62 9.144 -11.680 -4.775 1.00 0.31 C ATOM 887 O LYS A 62 9.814 -11.629 -5.808 1.00 0.40 O ATOM 888 CB LYS A 62 8.883 -14.055 -3.970 1.00 0.38 C ATOM 889 CG LYS A 62 9.275 -14.614 -5.329 1.00 0.82 C ATOM 890 CD LYS A 62 10.350 -15.684 -5.206 1.00 1.03 C ATOM 891 CE LYS A 62 9.872 -16.871 -4.382 1.00 1.20 C ATOM 892 NZ LYS A 62 10.837 -18.005 -4.428 1.00 2.04 N ATOM 0 H LYS A 62 8.071 -12.652 -2.101 1.00 0.29 H new ATOM 0 HA LYS A 62 10.554 -12.769 -3.602 1.00 0.32 H new ATOM 0 HB2 LYS A 62 9.202 -14.754 -3.197 1.00 0.38 H new ATOM 0 HB3 LYS A 62 7.796 -13.994 -3.915 1.00 0.38 H new ATOM 0 HG2 LYS A 62 8.396 -15.035 -5.817 1.00 0.82 H new ATOM 0 HG3 LYS A 62 9.636 -13.806 -5.965 1.00 0.82 H new ATOM 0 HD2 LYS A 62 10.640 -16.024 -6.200 1.00 1.03 H new ATOM 0 HD3 LYS A 62 11.239 -15.255 -4.744 1.00 1.03 H new ATOM 0 HE2 LYS A 62 9.727 -16.560 -3.348 1.00 1.20 H new ATOM 0 HE3 LYS A 62 8.903 -17.204 -4.754 1.00 1.20 H new ATOM 0 HZ1 LYS A 62 10.474 -18.793 -3.854 1.00 2.04 H new ATOM 0 HZ2 LYS A 62 10.957 -18.319 -5.412 1.00 2.04 H new ATOM 0 HZ3 LYS A 62 11.755 -17.695 -4.050 1.00 2.04 H new ATOM 906 N GLY A 63 8.109 -10.886 -4.534 1.00 0.26 N ATOM 907 CA GLY A 63 7.678 -9.866 -5.475 1.00 0.28 C ATOM 908 C GLY A 63 7.626 -8.504 -4.833 1.00 0.24 C ATOM 909 O GLY A 63 6.564 -7.885 -4.760 1.00 0.24 O ATOM 0 H GLY A 63 7.548 -10.932 -3.683 1.00 0.26 H new ATOM 0 HA2 GLY A 63 8.361 -9.842 -6.324 1.00 0.28 H new ATOM 0 HA3 GLY A 63 6.693 -10.123 -5.865 1.00 0.28 H new ATOM 913 N ILE A 64 8.774 -8.027 -4.379 1.00 0.21 N ATOM 914 CA ILE A 64 8.836 -6.747 -3.698 1.00 0.17 C ATOM 915 C ILE A 64 9.492 -5.651 -4.508 1.00 0.17 C ATOM 916 O ILE A 64 10.445 -5.865 -5.257 1.00 0.19 O ATOM 917 CB ILE A 64 9.490 -6.916 -2.309 1.00 0.15 C ATOM 918 CG1 ILE A 64 8.530 -7.663 -1.393 1.00 0.17 C ATOM 919 CG2 ILE A 64 9.868 -5.598 -1.671 1.00 0.14 C ATOM 920 CD1 ILE A 64 7.068 -7.421 -1.719 1.00 0.17 C ATOM 0 H ILE A 64 9.670 -8.505 -4.470 1.00 0.21 H new ATOM 0 HA ILE A 64 7.808 -6.410 -3.565 1.00 0.17 H new ATOM 0 HB ILE A 64 10.413 -7.479 -2.451 1.00 0.15 H new ATOM 0 HG12 ILE A 64 8.736 -8.731 -1.458 1.00 0.17 H new ATOM 0 HG13 ILE A 64 8.718 -7.364 -0.362 1.00 0.17 H new ATOM 0 HG21 ILE A 64 10.323 -5.782 -0.698 1.00 0.14 H new ATOM 0 HG22 ILE A 64 10.579 -5.075 -2.310 1.00 0.14 H new ATOM 0 HG23 ILE A 64 8.975 -4.986 -1.544 1.00 0.14 H new ATOM 0 HD11 ILE A 64 6.443 -7.984 -1.026 1.00 0.17 H new ATOM 0 HD12 ILE A 64 6.846 -6.358 -1.626 1.00 0.17 H new ATOM 0 HD13 ILE A 64 6.864 -7.746 -2.739 1.00 0.17 H new ATOM 932 N LEU A 65 8.911 -4.474 -4.332 1.00 0.17 N ATOM 933 CA LEU A 65 9.307 -3.253 -4.996 1.00 0.18 C ATOM 934 C LEU A 65 10.795 -3.177 -5.313 1.00 0.18 C ATOM 935 O LEU A 65 11.636 -3.683 -4.573 1.00 0.21 O ATOM 936 CB LEU A 65 8.906 -2.080 -4.119 1.00 0.18 C ATOM 937 CG LEU A 65 8.889 -2.374 -2.632 1.00 0.14 C ATOM 938 CD1 LEU A 65 10.307 -2.446 -2.100 1.00 0.16 C ATOM 939 CD2 LEU A 65 8.115 -1.312 -1.885 1.00 0.16 C ATOM 0 H LEU A 65 8.122 -4.344 -3.698 1.00 0.17 H new ATOM 0 HA LEU A 65 8.797 -3.227 -5.959 1.00 0.18 H new ATOM 0 HB2 LEU A 65 9.593 -1.255 -4.304 1.00 0.18 H new ATOM 0 HB3 LEU A 65 7.914 -1.742 -4.420 1.00 0.18 H new ATOM 0 HG LEU A 65 8.397 -3.335 -2.478 1.00 0.14 H new ATOM 0 HD11 LEU A 65 10.284 -2.658 -1.031 1.00 0.16 H new ATOM 0 HD12 LEU A 65 10.849 -3.239 -2.615 1.00 0.16 H new ATOM 0 HD13 LEU A 65 10.808 -1.493 -2.271 1.00 0.16 H new ATOM 0 HD21 LEU A 65 8.116 -1.543 -0.820 1.00 0.16 H new ATOM 0 HD22 LEU A 65 8.582 -0.340 -2.046 1.00 0.16 H new ATOM 0 HD23 LEU A 65 7.088 -1.286 -2.250 1.00 0.16 H new ATOM 951 N GLU A 66 11.096 -2.514 -6.424 1.00 0.23 N ATOM 952 CA GLU A 66 12.470 -2.326 -6.881 1.00 0.29 C ATOM 953 C GLU A 66 12.531 -1.092 -7.765 1.00 0.40 C ATOM 954 O GLU A 66 11.961 -1.072 -8.857 1.00 0.46 O ATOM 955 CB GLU A 66 12.964 -3.559 -7.637 1.00 0.30 C ATOM 956 CG GLU A 66 13.606 -4.607 -6.739 1.00 0.39 C ATOM 957 CD GLU A 66 13.355 -6.019 -7.229 1.00 1.02 C ATOM 958 OE1 GLU A 66 12.200 -6.485 -7.133 1.00 1.54 O ATOM 959 OE2 GLU A 66 14.314 -6.661 -7.707 1.00 1.41 O ATOM 0 H GLU A 66 10.396 -2.092 -7.034 1.00 0.23 H new ATOM 0 HA GLU A 66 13.122 -2.187 -6.019 1.00 0.29 H new ATOM 0 HB2 GLU A 66 12.125 -4.011 -8.166 1.00 0.30 H new ATOM 0 HB3 GLU A 66 13.686 -3.247 -8.391 1.00 0.30 H new ATOM 0 HG2 GLU A 66 14.680 -4.429 -6.687 1.00 0.39 H new ATOM 0 HG3 GLU A 66 13.216 -4.502 -5.726 1.00 0.39 H new ATOM 966 N GLY A 67 13.221 -0.061 -7.292 1.00 0.46 N ATOM 967 CA GLY A 67 13.283 1.179 -8.037 1.00 0.57 C ATOM 968 C GLY A 67 11.972 1.923 -7.895 1.00 0.52 C ATOM 969 O GLY A 67 11.774 2.998 -8.463 1.00 0.60 O ATOM 0 H GLY A 67 13.735 -0.062 -6.411 1.00 0.46 H new ATOM 0 HA2 GLY A 67 14.104 1.795 -7.670 1.00 0.57 H new ATOM 0 HA3 GLY A 67 13.484 0.974 -9.088 1.00 0.57 H new ATOM 973 N LYS A 68 11.077 1.314 -7.121 1.00 0.38 N ATOM 974 CA LYS A 68 9.754 1.854 -6.850 1.00 0.32 C ATOM 975 C LYS A 68 9.385 1.568 -5.400 1.00 0.20 C ATOM 976 O LYS A 68 9.648 0.483 -4.907 1.00 0.18 O ATOM 977 CB LYS A 68 8.716 1.186 -7.762 1.00 0.37 C ATOM 978 CG LYS A 68 7.971 0.044 -7.078 1.00 0.44 C ATOM 979 CD LYS A 68 6.918 -0.591 -7.964 1.00 0.48 C ATOM 980 CE LYS A 68 6.380 -1.855 -7.318 1.00 0.47 C ATOM 981 NZ LYS A 68 5.437 -2.583 -8.212 1.00 0.83 N ATOM 0 H LYS A 68 11.255 0.421 -6.661 1.00 0.38 H new ATOM 0 HA LYS A 68 9.764 2.928 -7.035 1.00 0.32 H new ATOM 0 HB2 LYS A 68 7.997 1.935 -8.094 1.00 0.37 H new ATOM 0 HB3 LYS A 68 9.215 0.805 -8.653 1.00 0.37 H new ATOM 0 HG2 LYS A 68 8.688 -0.718 -6.772 1.00 0.44 H new ATOM 0 HG3 LYS A 68 7.497 0.419 -6.171 1.00 0.44 H new ATOM 0 HD2 LYS A 68 6.104 0.113 -8.135 1.00 0.48 H new ATOM 0 HD3 LYS A 68 7.346 -0.826 -8.938 1.00 0.48 H new ATOM 0 HE2 LYS A 68 7.211 -2.510 -7.057 1.00 0.47 H new ATOM 0 HE3 LYS A 68 5.873 -1.599 -6.388 1.00 0.47 H new ATOM 0 HZ1 LYS A 68 5.094 -3.439 -7.731 1.00 0.83 H new ATOM 0 HZ2 LYS A 68 4.630 -1.968 -8.441 1.00 0.83 H new ATOM 0 HZ3 LYS A 68 5.927 -2.851 -9.089 1.00 0.83 H new ATOM 995 N PHE A 69 8.844 2.543 -4.693 1.00 0.16 N ATOM 996 CA PHE A 69 8.417 2.303 -3.318 1.00 0.18 C ATOM 997 C PHE A 69 6.920 2.563 -3.210 1.00 0.23 C ATOM 998 O PHE A 69 6.470 3.679 -3.450 1.00 0.34 O ATOM 999 CB PHE A 69 9.208 3.160 -2.325 1.00 0.31 C ATOM 1000 CG PHE A 69 10.533 3.648 -2.854 1.00 1.13 C ATOM 1001 CD1 PHE A 69 11.418 2.783 -3.480 1.00 1.76 C ATOM 1002 CD2 PHE A 69 10.885 4.977 -2.726 1.00 1.32 C ATOM 1003 CE1 PHE A 69 12.626 3.238 -3.967 1.00 2.54 C ATOM 1004 CE2 PHE A 69 12.091 5.439 -3.212 1.00 2.09 C ATOM 1005 CZ PHE A 69 12.963 4.568 -3.835 1.00 2.69 C ATOM 0 H PHE A 69 8.690 3.492 -5.035 1.00 0.16 H new ATOM 0 HA PHE A 69 8.619 1.264 -3.059 1.00 0.18 H new ATOM 0 HB2 PHE A 69 8.603 4.021 -2.041 1.00 0.31 H new ATOM 0 HB3 PHE A 69 9.382 2.580 -1.419 1.00 0.31 H new ATOM 0 HD1 PHE A 69 11.158 1.740 -3.588 1.00 1.76 H new ATOM 0 HD2 PHE A 69 10.208 5.663 -2.239 1.00 1.32 H new ATOM 0 HE1 PHE A 69 13.307 2.553 -4.451 1.00 2.54 H new ATOM 0 HE2 PHE A 69 12.353 6.481 -3.105 1.00 2.09 H new ATOM 0 HZ PHE A 69 13.907 4.928 -4.218 1.00 2.69 H new ATOM 1015 N THR A 70 6.148 1.542 -2.840 1.00 0.20 N ATOM 1016 CA THR A 70 4.696 1.702 -2.754 1.00 0.24 C ATOM 1017 C THR A 70 4.053 0.823 -1.691 1.00 0.24 C ATOM 1018 O THR A 70 4.453 -0.322 -1.484 1.00 0.34 O ATOM 1019 CB THR A 70 4.028 1.355 -4.096 1.00 0.26 C ATOM 1020 OG1 THR A 70 4.817 1.860 -5.180 1.00 0.29 O ATOM 1021 CG2 THR A 70 2.615 1.941 -4.173 1.00 0.28 C ATOM 0 H THR A 70 6.494 0.613 -2.599 1.00 0.20 H new ATOM 0 HA THR A 70 4.541 2.747 -2.488 1.00 0.24 H new ATOM 0 HB THR A 70 3.958 0.270 -4.170 1.00 0.26 H new ATOM 0 HG1 THR A 70 4.387 1.634 -6.031 1.00 0.29 H new ATOM 0 HG21 THR A 70 2.165 1.681 -5.131 1.00 0.28 H new ATOM 0 HG22 THR A 70 2.008 1.534 -3.365 1.00 0.28 H new ATOM 0 HG23 THR A 70 2.665 3.026 -4.078 1.00 0.28 H new ATOM 1029 N LEU A 71 3.036 1.376 -1.033 1.00 0.16 N ATOM 1030 CA LEU A 71 2.280 0.656 -0.023 1.00 0.15 C ATOM 1031 C LEU A 71 0.801 0.696 -0.364 1.00 0.14 C ATOM 1032 O LEU A 71 0.312 1.690 -0.903 1.00 0.15 O ATOM 1033 CB LEU A 71 2.470 1.269 1.361 1.00 0.16 C ATOM 1034 CG LEU A 71 3.879 1.215 1.935 1.00 0.20 C ATOM 1035 CD1 LEU A 71 3.832 1.338 3.447 1.00 0.39 C ATOM 1036 CD2 LEU A 71 4.606 -0.057 1.527 1.00 0.25 C ATOM 0 H LEU A 71 2.718 2.333 -1.188 1.00 0.16 H new ATOM 0 HA LEU A 71 2.646 -0.371 -0.009 1.00 0.15 H new ATOM 0 HB2 LEU A 71 2.158 2.312 1.319 1.00 0.16 H new ATOM 0 HB3 LEU A 71 1.798 0.763 2.054 1.00 0.16 H new ATOM 0 HG LEU A 71 4.438 2.056 1.525 1.00 0.20 H new ATOM 0 HD11 LEU A 71 4.845 1.298 3.847 1.00 0.39 H new ATOM 0 HD12 LEU A 71 3.371 2.287 3.721 1.00 0.39 H new ATOM 0 HD13 LEU A 71 3.246 0.517 3.861 1.00 0.39 H new ATOM 0 HD21 LEU A 71 5.608 -0.057 1.957 1.00 0.25 H new ATOM 0 HD22 LEU A 71 4.055 -0.924 1.891 1.00 0.25 H new ATOM 0 HD23 LEU A 71 4.677 -0.103 0.440 1.00 0.25 H new ATOM 1048 N LYS A 72 0.085 -0.375 -0.056 1.00 0.18 N ATOM 1049 CA LYS A 72 -1.343 -0.409 -0.318 1.00 0.18 C ATOM 1050 C LYS A 72 -2.118 -0.499 0.975 1.00 0.20 C ATOM 1051 O LYS A 72 -1.897 -1.383 1.801 1.00 0.36 O ATOM 1052 CB LYS A 72 -1.737 -1.562 -1.240 1.00 0.24 C ATOM 1053 CG LYS A 72 -3.244 -1.791 -1.295 1.00 0.30 C ATOM 1054 CD LYS A 72 -3.692 -2.373 -2.626 1.00 1.09 C ATOM 1055 CE LYS A 72 -3.471 -1.395 -3.771 1.00 2.45 C ATOM 1056 NZ LYS A 72 -3.960 -1.940 -5.067 1.00 3.31 N ATOM 0 H LYS A 72 0.464 -1.221 0.370 1.00 0.18 H new ATOM 0 HA LYS A 72 -1.593 0.522 -0.828 1.00 0.18 H new ATOM 0 HB2 LYS A 72 -1.369 -1.358 -2.246 1.00 0.24 H new ATOM 0 HB3 LYS A 72 -1.248 -2.475 -0.900 1.00 0.24 H new ATOM 0 HG2 LYS A 72 -3.536 -2.465 -0.490 1.00 0.30 H new ATOM 0 HG3 LYS A 72 -3.759 -0.846 -1.123 1.00 0.30 H new ATOM 0 HD2 LYS A 72 -3.144 -3.294 -2.823 1.00 1.09 H new ATOM 0 HD3 LYS A 72 -4.748 -2.636 -2.571 1.00 1.09 H new ATOM 0 HE2 LYS A 72 -3.985 -0.459 -3.553 1.00 2.45 H new ATOM 0 HE3 LYS A 72 -2.409 -1.164 -3.852 1.00 2.45 H new ATOM 0 HZ1 LYS A 72 -3.422 -1.513 -5.848 1.00 3.31 H new ATOM 0 HZ2 LYS A 72 -3.831 -2.972 -5.081 1.00 3.31 H new ATOM 0 HZ3 LYS A 72 -4.969 -1.716 -5.179 1.00 3.31 H new ATOM 1070 N ALA A 73 -3.028 0.435 1.126 1.00 0.12 N ATOM 1071 CA ALA A 73 -3.869 0.507 2.291 1.00 0.11 C ATOM 1072 C ALA A 73 -5.179 -0.203 2.030 1.00 0.10 C ATOM 1073 O ALA A 73 -5.663 -0.235 0.901 1.00 0.12 O ATOM 1074 CB ALA A 73 -4.108 1.964 2.630 1.00 0.10 C ATOM 0 H ALA A 73 -3.204 1.168 0.439 1.00 0.12 H new ATOM 0 HA ALA A 73 -3.381 0.016 3.133 1.00 0.11 H new ATOM 0 HB1 ALA A 73 -4.745 2.033 3.512 1.00 0.10 H new ATOM 0 HB2 ALA A 73 -3.154 2.452 2.832 1.00 0.10 H new ATOM 0 HB3 ALA A 73 -4.597 2.457 1.790 1.00 0.10 H new ATOM 1080 N VAL A 74 -5.751 -0.763 3.078 1.00 0.09 N ATOM 1081 CA VAL A 74 -7.006 -1.482 2.966 1.00 0.09 C ATOM 1082 C VAL A 74 -8.015 -0.960 3.972 1.00 0.10 C ATOM 1083 O VAL A 74 -7.666 -0.630 5.095 1.00 0.19 O ATOM 1084 CB VAL A 74 -6.782 -2.988 3.176 1.00 0.12 C ATOM 1085 CG1 VAL A 74 -8.085 -3.704 3.505 1.00 0.13 C ATOM 1086 CG2 VAL A 74 -6.144 -3.582 1.939 1.00 0.13 C ATOM 0 H VAL A 74 -5.365 -0.734 4.022 1.00 0.09 H new ATOM 0 HA VAL A 74 -7.402 -1.322 1.963 1.00 0.09 H new ATOM 0 HB VAL A 74 -6.114 -3.123 4.026 1.00 0.12 H new ATOM 0 HG11 VAL A 74 -7.890 -4.767 3.647 1.00 0.13 H new ATOM 0 HG12 VAL A 74 -8.508 -3.287 4.419 1.00 0.13 H new ATOM 0 HG13 VAL A 74 -8.790 -3.571 2.685 1.00 0.13 H new ATOM 0 HG21 VAL A 74 -5.985 -4.650 2.089 1.00 0.13 H new ATOM 0 HG22 VAL A 74 -6.800 -3.429 1.082 1.00 0.13 H new ATOM 0 HG23 VAL A 74 -5.186 -3.095 1.754 1.00 0.13 H new ATOM 1096 N ALA A 75 -9.264 -0.868 3.560 1.00 0.10 N ATOM 1097 CA ALA A 75 -10.302 -0.379 4.446 1.00 0.11 C ATOM 1098 C ALA A 75 -10.391 -1.224 5.705 1.00 0.11 C ATOM 1099 O ALA A 75 -10.207 -2.439 5.675 1.00 0.19 O ATOM 1100 CB ALA A 75 -11.641 -0.348 3.728 1.00 0.12 C ATOM 0 H ALA A 75 -9.583 -1.123 2.625 1.00 0.10 H new ATOM 0 HA ALA A 75 -10.042 0.637 4.742 1.00 0.11 H new ATOM 0 HB1 ALA A 75 -12.409 0.021 4.407 1.00 0.12 H new ATOM 0 HB2 ALA A 75 -11.574 0.311 2.862 1.00 0.12 H new ATOM 0 HB3 ALA A 75 -11.901 -1.354 3.399 1.00 0.12 H new ATOM 1106 N LEU A 76 -10.629 -0.561 6.821 1.00 0.11 N ATOM 1107 CA LEU A 76 -10.781 -1.244 8.087 1.00 0.11 C ATOM 1108 C LEU A 76 -12.152 -1.885 8.092 1.00 0.12 C ATOM 1109 O LEU A 76 -12.365 -2.963 8.645 1.00 0.15 O ATOM 1110 CB LEU A 76 -10.594 -0.249 9.228 1.00 0.12 C ATOM 1111 CG LEU A 76 -9.245 0.465 9.175 1.00 0.14 C ATOM 1112 CD1 LEU A 76 -9.189 1.639 10.139 1.00 0.16 C ATOM 1113 CD2 LEU A 76 -8.117 -0.516 9.458 1.00 0.18 C ATOM 0 H LEU A 76 -10.721 0.453 6.874 1.00 0.11 H new ATOM 0 HA LEU A 76 -10.029 -2.021 8.224 1.00 0.11 H new ATOM 0 HB2 LEU A 76 -11.393 0.491 9.193 1.00 0.12 H new ATOM 0 HB3 LEU A 76 -10.686 -0.773 10.180 1.00 0.12 H new ATOM 0 HG LEU A 76 -9.121 0.865 8.169 1.00 0.14 H new ATOM 0 HD11 LEU A 76 -8.213 2.120 10.071 1.00 0.16 H new ATOM 0 HD12 LEU A 76 -9.967 2.358 9.882 1.00 0.16 H new ATOM 0 HD13 LEU A 76 -9.347 1.282 11.157 1.00 0.16 H new ATOM 0 HD21 LEU A 76 -7.161 0.007 9.417 1.00 0.18 H new ATOM 0 HD22 LEU A 76 -8.251 -0.949 10.449 1.00 0.18 H new ATOM 0 HD23 LEU A 76 -8.129 -1.310 8.711 1.00 0.18 H new ATOM 1125 N ASP A 77 -13.078 -1.178 7.460 1.00 0.13 N ATOM 1126 CA ASP A 77 -14.443 -1.656 7.279 1.00 0.17 C ATOM 1127 C ASP A 77 -14.562 -2.253 5.883 1.00 0.17 C ATOM 1128 O ASP A 77 -15.637 -2.267 5.294 1.00 0.21 O ATOM 1129 CB ASP A 77 -15.464 -0.528 7.442 1.00 0.22 C ATOM 1130 CG ASP A 77 -15.117 0.409 8.584 1.00 0.24 C ATOM 1131 OD1 ASP A 77 -15.547 0.137 9.725 1.00 0.28 O ATOM 1132 OD2 ASP A 77 -14.417 1.413 8.337 1.00 0.26 O ATOM 0 H ASP A 77 -12.905 -0.257 7.058 1.00 0.13 H new ATOM 0 HA ASP A 77 -14.656 -2.405 8.042 1.00 0.17 H new ATOM 0 HB2 ASP A 77 -15.523 0.041 6.514 1.00 0.22 H new ATOM 0 HB3 ASP A 77 -16.451 -0.958 7.616 1.00 0.22 H new ATOM 1137 N ARG A 78 -13.425 -2.704 5.353 1.00 0.15 N ATOM 1138 CA ARG A 78 -13.350 -3.271 4.011 1.00 0.17 C ATOM 1139 C ARG A 78 -14.429 -4.317 3.752 1.00 0.23 C ATOM 1140 O ARG A 78 -14.833 -4.514 2.605 1.00 0.25 O ATOM 1141 CB ARG A 78 -11.961 -3.849 3.770 1.00 0.21 C ATOM 1142 CG ARG A 78 -11.782 -5.286 4.217 1.00 0.33 C ATOM 1143 CD ARG A 78 -11.337 -6.124 3.041 1.00 0.47 C ATOM 1144 NE ARG A 78 -11.622 -7.543 3.230 1.00 0.47 N ATOM 1145 CZ ARG A 78 -11.815 -8.397 2.228 1.00 0.67 C ATOM 1146 NH1 ARG A 78 -11.755 -7.974 0.972 1.00 1.10 N ATOM 1147 NH2 ARG A 78 -12.071 -9.673 2.481 1.00 0.79 N ATOM 0 H ARG A 78 -12.531 -2.686 5.844 1.00 0.15 H new ATOM 0 HA ARG A 78 -13.532 -2.462 3.303 1.00 0.17 H new ATOM 0 HB2 ARG A 78 -11.736 -3.784 2.705 1.00 0.21 H new ATOM 0 HB3 ARG A 78 -11.230 -3.229 4.289 1.00 0.21 H new ATOM 0 HG2 ARG A 78 -11.044 -5.341 5.017 1.00 0.33 H new ATOM 0 HG3 ARG A 78 -12.718 -5.673 4.620 1.00 0.33 H new ATOM 0 HD2 ARG A 78 -11.837 -5.773 2.138 1.00 0.47 H new ATOM 0 HD3 ARG A 78 -10.267 -5.989 2.886 1.00 0.47 H new ATOM 0 HE ARG A 78 -11.676 -7.900 4.184 1.00 0.47 H new ATOM 0 HH11 ARG A 78 -11.561 -6.993 0.773 1.00 1.10 H new ATOM 0 HH12 ARG A 78 -11.903 -8.630 0.205 1.00 1.10 H new ATOM 0 HH21 ARG A 78 -12.120 -10.002 3.445 1.00 0.79 H new ATOM 0 HH22 ARG A 78 -12.219 -10.326 1.711 1.00 0.79 H new ATOM 1161 N GLU A 79 -14.888 -4.997 4.800 1.00 0.27 N ATOM 1162 CA GLU A 79 -15.948 -5.986 4.640 1.00 0.34 C ATOM 1163 C GLU A 79 -17.106 -5.325 3.911 1.00 0.35 C ATOM 1164 O GLU A 79 -17.899 -5.967 3.222 1.00 0.40 O ATOM 1165 CB GLU A 79 -16.411 -6.501 6.000 1.00 0.38 C ATOM 1166 CG GLU A 79 -15.269 -6.849 6.937 1.00 0.37 C ATOM 1167 CD GLU A 79 -15.750 -7.366 8.278 1.00 0.45 C ATOM 1168 OE1 GLU A 79 -16.107 -6.536 9.141 1.00 0.48 O ATOM 1169 OE2 GLU A 79 -15.770 -8.601 8.467 1.00 0.53 O ATOM 0 H GLU A 79 -14.548 -4.883 5.755 1.00 0.27 H new ATOM 0 HA GLU A 79 -15.577 -6.837 4.068 1.00 0.34 H new ATOM 0 HB2 GLU A 79 -17.039 -5.745 6.471 1.00 0.38 H new ATOM 0 HB3 GLU A 79 -17.032 -7.385 5.853 1.00 0.38 H new ATOM 0 HG2 GLU A 79 -14.636 -7.602 6.468 1.00 0.37 H new ATOM 0 HG3 GLU A 79 -14.651 -5.965 7.093 1.00 0.37 H new ATOM 1176 N ALA A 80 -17.166 -4.016 4.094 1.00 0.31 N ATOM 1177 CA ALA A 80 -18.164 -3.165 3.485 1.00 0.33 C ATOM 1178 C ALA A 80 -17.551 -2.334 2.358 1.00 0.29 C ATOM 1179 O ALA A 80 -18.257 -1.862 1.467 1.00 0.31 O ATOM 1180 CB ALA A 80 -18.746 -2.245 4.546 1.00 0.34 C ATOM 0 H ALA A 80 -16.506 -3.509 4.684 1.00 0.31 H new ATOM 0 HA ALA A 80 -18.951 -3.788 3.061 1.00 0.33 H new ATOM 0 HB1 ALA A 80 -19.500 -1.600 4.094 1.00 0.34 H new ATOM 0 HB2 ALA A 80 -19.205 -2.843 5.334 1.00 0.34 H new ATOM 0 HB3 ALA A 80 -17.952 -1.632 4.972 1.00 0.34 H new ATOM 1186 N GLU A 81 -16.228 -2.159 2.410 1.00 0.24 N ATOM 1187 CA GLU A 81 -15.517 -1.364 1.410 1.00 0.20 C ATOM 1188 C GLU A 81 -14.305 -2.107 0.837 1.00 0.17 C ATOM 1189 O GLU A 81 -13.171 -1.849 1.241 1.00 0.16 O ATOM 1190 CB GLU A 81 -15.054 -0.047 2.035 1.00 0.19 C ATOM 1191 CG GLU A 81 -15.820 0.343 3.289 1.00 0.26 C ATOM 1192 CD GLU A 81 -15.388 1.689 3.839 1.00 1.21 C ATOM 1193 OE1 GLU A 81 -14.378 1.735 4.572 1.00 2.18 O ATOM 1194 OE2 GLU A 81 -16.061 2.696 3.537 1.00 1.14 O ATOM 0 H GLU A 81 -15.630 -2.557 3.134 1.00 0.24 H new ATOM 0 HA GLU A 81 -16.209 -1.173 0.590 1.00 0.20 H new ATOM 0 HB2 GLU A 81 -13.994 -0.124 2.278 1.00 0.19 H new ATOM 0 HB3 GLU A 81 -15.155 0.749 1.297 1.00 0.19 H new ATOM 0 HG2 GLU A 81 -16.886 0.371 3.065 1.00 0.26 H new ATOM 0 HG3 GLU A 81 -15.674 -0.421 4.052 1.00 0.26 H new ATOM 1201 N PRO A 82 -14.519 -3.043 -0.113 1.00 0.23 N ATOM 1202 CA PRO A 82 -13.422 -3.785 -0.743 1.00 0.23 C ATOM 1203 C PRO A 82 -12.404 -2.844 -1.373 1.00 0.18 C ATOM 1204 O PRO A 82 -11.308 -3.260 -1.748 1.00 0.19 O ATOM 1205 CB PRO A 82 -14.104 -4.626 -1.834 1.00 0.30 C ATOM 1206 CG PRO A 82 -15.486 -4.076 -1.960 1.00 0.35 C ATOM 1207 CD PRO A 82 -15.827 -3.458 -0.635 1.00 0.34 C ATOM 0 HA PRO A 82 -12.875 -4.388 -0.018 1.00 0.23 H new ATOM 0 HB2 PRO A 82 -13.566 -4.553 -2.779 1.00 0.30 H new ATOM 0 HB3 PRO A 82 -14.125 -5.681 -1.560 1.00 0.30 H new ATOM 0 HG2 PRO A 82 -15.536 -3.334 -2.757 1.00 0.35 H new ATOM 0 HG3 PRO A 82 -16.195 -4.865 -2.213 1.00 0.35 H new ATOM 0 HD2 PRO A 82 -16.503 -2.610 -0.748 1.00 0.34 H new ATOM 0 HD3 PRO A 82 -16.317 -4.171 0.028 1.00 0.34 H new ATOM 1215 N ARG A 83 -12.780 -1.571 -1.491 1.00 0.15 N ATOM 1216 CA ARG A 83 -11.904 -0.569 -2.078 1.00 0.13 C ATOM 1217 C ARG A 83 -10.555 -0.532 -1.377 1.00 0.12 C ATOM 1218 O ARG A 83 -10.467 -0.533 -0.150 1.00 0.18 O ATOM 1219 CB ARG A 83 -12.548 0.817 -2.044 1.00 0.14 C ATOM 1220 CG ARG A 83 -13.479 1.075 -3.215 1.00 0.19 C ATOM 1221 CD ARG A 83 -13.681 2.563 -3.450 1.00 0.26 C ATOM 1222 NE ARG A 83 -14.625 2.821 -4.536 1.00 0.50 N ATOM 1223 CZ ARG A 83 -14.731 3.991 -5.160 1.00 0.59 C ATOM 1224 NH1 ARG A 83 -13.955 5.008 -4.812 1.00 0.60 N ATOM 1225 NH2 ARG A 83 -15.616 4.144 -6.136 1.00 0.89 N ATOM 0 H ARG A 83 -13.686 -1.214 -1.187 1.00 0.15 H new ATOM 0 HA ARG A 83 -11.744 -0.853 -3.118 1.00 0.13 H new ATOM 0 HB2 ARG A 83 -13.106 0.928 -1.114 1.00 0.14 H new ATOM 0 HB3 ARG A 83 -11.764 1.574 -2.038 1.00 0.14 H new ATOM 0 HG2 ARG A 83 -13.069 0.616 -4.115 1.00 0.19 H new ATOM 0 HG3 ARG A 83 -14.442 0.602 -3.026 1.00 0.19 H new ATOM 0 HD2 ARG A 83 -14.045 3.029 -2.534 1.00 0.26 H new ATOM 0 HD3 ARG A 83 -12.723 3.027 -3.684 1.00 0.26 H new ATOM 0 HE ARG A 83 -15.237 2.061 -4.832 1.00 0.50 H new ATOM 0 HH11 ARG A 83 -13.272 4.896 -4.062 1.00 0.60 H new ATOM 0 HH12 ARG A 83 -14.040 5.903 -5.294 1.00 0.60 H new ATOM 0 HH21 ARG A 83 -16.215 3.365 -6.408 1.00 0.89 H new ATOM 0 HH22 ARG A 83 -15.697 5.041 -6.615 1.00 0.89 H new ATOM 1239 N VAL A 84 -9.514 -0.503 -2.187 1.00 0.09 N ATOM 1240 CA VAL A 84 -8.141 -0.466 -1.698 1.00 0.09 C ATOM 1241 C VAL A 84 -7.400 0.715 -2.318 1.00 0.08 C ATOM 1242 O VAL A 84 -7.813 1.228 -3.352 1.00 0.09 O ATOM 1243 CB VAL A 84 -7.396 -1.774 -2.042 1.00 0.11 C ATOM 1244 CG1 VAL A 84 -6.784 -2.380 -0.803 1.00 0.12 C ATOM 1245 CG2 VAL A 84 -8.328 -2.779 -2.698 1.00 0.12 C ATOM 0 H VAL A 84 -9.592 -0.504 -3.204 1.00 0.09 H new ATOM 0 HA VAL A 84 -8.171 -0.355 -0.614 1.00 0.09 H new ATOM 0 HB VAL A 84 -6.602 -1.526 -2.746 1.00 0.11 H new ATOM 0 HG11 VAL A 84 -6.264 -3.301 -1.067 1.00 0.12 H new ATOM 0 HG12 VAL A 84 -6.076 -1.676 -0.365 1.00 0.12 H new ATOM 0 HG13 VAL A 84 -7.569 -2.602 -0.080 1.00 0.12 H new ATOM 0 HG21 VAL A 84 -7.776 -3.690 -2.929 1.00 0.12 H new ATOM 0 HG22 VAL A 84 -9.147 -3.013 -2.018 1.00 0.12 H new ATOM 0 HG23 VAL A 84 -8.730 -2.355 -3.618 1.00 0.12 H new ATOM 1255 N LEU A 85 -6.321 1.168 -1.687 1.00 0.10 N ATOM 1256 CA LEU A 85 -5.557 2.288 -2.233 1.00 0.09 C ATOM 1257 C LEU A 85 -4.063 2.042 -2.134 1.00 0.10 C ATOM 1258 O LEU A 85 -3.609 1.204 -1.365 1.00 0.11 O ATOM 1259 CB LEU A 85 -5.893 3.593 -1.511 1.00 0.09 C ATOM 1260 CG LEU A 85 -5.370 4.867 -2.186 1.00 0.09 C ATOM 1261 CD1 LEU A 85 -6.256 5.266 -3.368 1.00 0.09 C ATOM 1262 CD2 LEU A 85 -5.260 6.002 -1.173 1.00 0.09 C ATOM 0 H LEU A 85 -5.960 0.786 -0.813 1.00 0.10 H new ATOM 0 HA LEU A 85 -5.836 2.374 -3.283 1.00 0.09 H new ATOM 0 HB2 LEU A 85 -6.976 3.669 -1.418 1.00 0.09 H new ATOM 0 HB3 LEU A 85 -5.489 3.545 -0.500 1.00 0.09 H new ATOM 0 HG LEU A 85 -4.373 4.662 -2.576 1.00 0.09 H new ATOM 0 HD11 LEU A 85 -5.862 6.172 -3.828 1.00 0.09 H new ATOM 0 HD12 LEU A 85 -6.267 4.461 -4.103 1.00 0.09 H new ATOM 0 HD13 LEU A 85 -7.271 5.449 -3.016 1.00 0.09 H new ATOM 0 HD21 LEU A 85 -4.887 6.898 -1.669 1.00 0.09 H new ATOM 0 HD22 LEU A 85 -6.242 6.205 -0.746 1.00 0.09 H new ATOM 0 HD23 LEU A 85 -4.572 5.715 -0.378 1.00 0.09 H new ATOM 1274 N ARG A 86 -3.312 2.786 -2.927 1.00 0.10 N ATOM 1275 CA ARG A 86 -1.859 2.687 -2.937 1.00 0.11 C ATOM 1276 C ARG A 86 -1.259 4.034 -3.293 1.00 0.11 C ATOM 1277 O ARG A 86 -1.863 4.803 -4.027 1.00 0.10 O ATOM 1278 CB ARG A 86 -1.383 1.613 -3.931 1.00 0.13 C ATOM 1279 CG ARG A 86 -0.520 2.139 -5.065 1.00 0.33 C ATOM 1280 CD ARG A 86 0.016 1.000 -5.920 1.00 0.32 C ATOM 1281 NE ARG A 86 0.740 1.486 -7.090 1.00 0.71 N ATOM 1282 CZ ARG A 86 1.150 0.701 -8.082 1.00 1.08 C ATOM 1283 NH1 ARG A 86 0.910 -0.603 -8.043 1.00 1.24 N ATOM 1284 NH2 ARG A 86 1.802 1.220 -9.114 1.00 1.41 N ATOM 0 H ARG A 86 -3.688 3.473 -3.580 1.00 0.10 H new ATOM 0 HA ARG A 86 -1.525 2.393 -1.942 1.00 0.11 H new ATOM 0 HB2 ARG A 86 -0.821 0.855 -3.385 1.00 0.13 H new ATOM 0 HB3 ARG A 86 -2.256 1.118 -4.356 1.00 0.13 H new ATOM 0 HG2 ARG A 86 -1.104 2.819 -5.685 1.00 0.33 H new ATOM 0 HG3 ARG A 86 0.311 2.714 -4.657 1.00 0.33 H new ATOM 0 HD2 ARG A 86 0.677 0.376 -5.319 1.00 0.32 H new ATOM 0 HD3 ARG A 86 -0.812 0.369 -6.243 1.00 0.32 H new ATOM 0 HE ARG A 86 0.943 2.484 -7.150 1.00 0.71 H new ATOM 0 HH11 ARG A 86 0.410 -1.006 -7.251 1.00 1.24 H new ATOM 0 HH12 ARG A 86 1.226 -1.203 -8.805 1.00 1.24 H new ATOM 0 HH21 ARG A 86 1.989 2.222 -9.147 1.00 1.41 H new ATOM 0 HH22 ARG A 86 2.116 0.617 -9.874 1.00 1.41 H new ATOM 1298 N LEU A 87 -0.089 4.324 -2.752 1.00 0.12 N ATOM 1299 CA LEU A 87 0.599 5.571 -3.045 1.00 0.11 C ATOM 1300 C LEU A 87 2.100 5.354 -2.952 1.00 0.13 C ATOM 1301 O LEU A 87 2.607 4.900 -1.926 1.00 0.16 O ATOM 1302 CB LEU A 87 0.149 6.677 -2.090 1.00 0.11 C ATOM 1303 CG LEU A 87 0.583 8.094 -2.454 1.00 0.11 C ATOM 1304 CD1 LEU A 87 0.476 8.323 -3.952 1.00 0.09 C ATOM 1305 CD2 LEU A 87 -0.262 9.104 -1.697 1.00 0.11 C ATOM 0 H LEU A 87 0.407 3.711 -2.105 1.00 0.12 H new ATOM 0 HA LEU A 87 0.348 5.887 -4.057 1.00 0.11 H new ATOM 0 HB2 LEU A 87 -0.939 6.656 -2.029 1.00 0.11 H new ATOM 0 HB3 LEU A 87 0.529 6.447 -1.095 1.00 0.11 H new ATOM 0 HG LEU A 87 1.627 8.223 -2.169 1.00 0.11 H new ATOM 0 HD11 LEU A 87 0.790 9.340 -4.188 1.00 0.09 H new ATOM 0 HD12 LEU A 87 1.118 7.614 -4.475 1.00 0.09 H new ATOM 0 HD13 LEU A 87 -0.557 8.180 -4.269 1.00 0.09 H new ATOM 0 HD21 LEU A 87 0.053 10.113 -1.962 1.00 0.11 H new ATOM 0 HD22 LEU A 87 -1.311 8.971 -1.960 1.00 0.11 H new ATOM 0 HD23 LEU A 87 -0.135 8.954 -0.625 1.00 0.11 H new ATOM 1317 N ASN A 88 2.805 5.673 -4.026 1.00 0.11 N ATOM 1318 CA ASN A 88 4.250 5.471 -4.066 1.00 0.13 C ATOM 1319 C ASN A 88 5.020 6.747 -3.735 1.00 0.12 C ATOM 1320 O ASN A 88 4.428 7.800 -3.505 1.00 0.11 O ATOM 1321 CB ASN A 88 4.674 4.932 -5.436 1.00 0.14 C ATOM 1322 CG ASN A 88 4.272 5.842 -6.580 1.00 0.61 C ATOM 1323 OD1 ASN A 88 4.262 7.063 -6.443 1.00 1.44 O ATOM 1324 ND2 ASN A 88 3.936 5.246 -7.718 1.00 1.32 N ATOM 0 H ASN A 88 2.407 6.070 -4.877 1.00 0.11 H new ATOM 0 HA ASN A 88 4.496 4.737 -3.299 1.00 0.13 H new ATOM 0 HB2 ASN A 88 5.756 4.798 -5.449 1.00 0.14 H new ATOM 0 HB3 ASN A 88 4.229 3.949 -5.587 1.00 0.14 H new ATOM 0 HD21 ASN A 88 3.655 5.806 -8.523 1.00 1.32 H new ATOM 0 HD22 ASN A 88 3.959 4.229 -7.787 1.00 1.32 H new ATOM 1331 N GLU A 89 6.348 6.633 -3.709 1.00 0.16 N ATOM 1332 CA GLU A 89 7.218 7.768 -3.409 1.00 0.19 C ATOM 1333 C GLU A 89 7.018 8.883 -4.435 1.00 0.18 C ATOM 1334 O GLU A 89 7.316 10.049 -4.173 1.00 0.24 O ATOM 1335 CB GLU A 89 8.680 7.321 -3.403 1.00 0.24 C ATOM 1336 CG GLU A 89 9.318 7.249 -4.786 1.00 0.27 C ATOM 1337 CD GLU A 89 8.828 6.067 -5.598 1.00 1.25 C ATOM 1338 OE1 GLU A 89 7.681 6.119 -6.088 1.00 1.67 O ATOM 1339 OE2 GLU A 89 9.588 5.085 -5.739 1.00 1.94 O ATOM 0 H GLU A 89 6.845 5.762 -3.893 1.00 0.16 H new ATOM 0 HA GLU A 89 6.958 8.152 -2.423 1.00 0.19 H new ATOM 0 HB2 GLU A 89 9.256 8.010 -2.785 1.00 0.24 H new ATOM 0 HB3 GLU A 89 8.746 6.340 -2.933 1.00 0.24 H new ATOM 0 HG2 GLU A 89 9.104 8.170 -5.328 1.00 0.27 H new ATOM 0 HG3 GLU A 89 10.401 7.186 -4.679 1.00 0.27 H new ATOM 1346 N SER A 90 6.508 8.506 -5.607 1.00 0.16 N ATOM 1347 CA SER A 90 6.263 9.456 -6.688 1.00 0.17 C ATOM 1348 C SER A 90 4.905 10.099 -6.507 1.00 0.13 C ATOM 1349 O SER A 90 4.409 10.811 -7.381 1.00 0.15 O ATOM 1350 CB SER A 90 6.348 8.759 -8.048 1.00 0.22 C ATOM 1351 OG SER A 90 7.630 8.190 -8.251 1.00 1.37 O ATOM 0 H SER A 90 6.256 7.543 -5.831 1.00 0.16 H new ATOM 0 HA SER A 90 7.029 10.231 -6.656 1.00 0.17 H new ATOM 0 HB2 SER A 90 5.587 7.981 -8.109 1.00 0.22 H new ATOM 0 HB3 SER A 90 6.135 9.476 -8.841 1.00 0.22 H new ATOM 0 HG SER A 90 7.788 7.492 -7.582 1.00 1.37 H new ATOM 1357 N LEU A 91 4.314 9.833 -5.354 1.00 0.10 N ATOM 1358 CA LEU A 91 3.023 10.376 -4.997 1.00 0.09 C ATOM 1359 C LEU A 91 1.950 10.031 -6.020 1.00 0.11 C ATOM 1360 O LEU A 91 1.004 10.789 -6.233 1.00 0.16 O ATOM 1361 CB LEU A 91 3.153 11.869 -4.796 1.00 0.09 C ATOM 1362 CG LEU A 91 3.841 12.281 -3.486 1.00 0.10 C ATOM 1363 CD1 LEU A 91 2.830 12.867 -2.514 1.00 0.14 C ATOM 1364 CD2 LEU A 91 4.583 11.110 -2.836 1.00 0.09 C ATOM 0 H LEU A 91 4.722 9.231 -4.639 1.00 0.10 H new ATOM 0 HA LEU A 91 2.697 9.918 -4.063 1.00 0.09 H new ATOM 0 HB2 LEU A 91 3.713 12.287 -5.632 1.00 0.09 H new ATOM 0 HB3 LEU A 91 2.158 12.314 -4.824 1.00 0.09 H new ATOM 0 HG LEU A 91 4.580 13.043 -3.734 1.00 0.10 H new ATOM 0 HD11 LEU A 91 3.336 13.153 -1.592 1.00 0.14 H new ATOM 0 HD12 LEU A 91 2.364 13.746 -2.960 1.00 0.14 H new ATOM 0 HD13 LEU A 91 2.065 12.123 -2.292 1.00 0.14 H new ATOM 0 HD21 LEU A 91 5.055 11.446 -1.913 1.00 0.09 H new ATOM 0 HD22 LEU A 91 3.877 10.311 -2.613 1.00 0.09 H new ATOM 0 HD23 LEU A 91 5.347 10.739 -3.519 1.00 0.09 H new ATOM 1376 N THR A 92 2.113 8.872 -6.646 1.00 0.12 N ATOM 1377 CA THR A 92 1.148 8.372 -7.615 1.00 0.14 C ATOM 1378 C THR A 92 0.294 7.304 -6.951 1.00 0.11 C ATOM 1379 O THR A 92 0.795 6.240 -6.586 1.00 0.11 O ATOM 1380 CB THR A 92 1.838 7.768 -8.848 1.00 0.18 C ATOM 1381 OG1 THR A 92 2.587 8.777 -9.537 1.00 0.23 O ATOM 1382 CG2 THR A 92 0.817 7.149 -9.794 1.00 0.20 C ATOM 0 H THR A 92 2.913 8.256 -6.497 1.00 0.12 H new ATOM 0 HA THR A 92 0.536 9.210 -7.949 1.00 0.14 H new ATOM 0 HB THR A 92 2.515 6.984 -8.508 1.00 0.18 H new ATOM 0 HG1 THR A 92 3.024 8.382 -10.320 1.00 0.23 H new ATOM 0 HG21 THR A 92 1.330 6.728 -10.659 1.00 0.20 H new ATOM 0 HG22 THR A 92 0.273 6.360 -9.276 1.00 0.20 H new ATOM 0 HG23 THR A 92 0.116 7.916 -10.125 1.00 0.20 H new ATOM 1390 N ALA A 93 -0.993 7.581 -6.794 1.00 0.11 N ATOM 1391 CA ALA A 93 -1.886 6.641 -6.133 1.00 0.09 C ATOM 1392 C ALA A 93 -2.800 5.915 -7.091 1.00 0.09 C ATOM 1393 O ALA A 93 -3.119 6.400 -8.176 1.00 0.10 O ATOM 1394 CB ALA A 93 -2.736 7.349 -5.095 1.00 0.10 C ATOM 0 H ALA A 93 -1.439 8.441 -7.112 1.00 0.11 H new ATOM 0 HA ALA A 93 -1.240 5.902 -5.660 1.00 0.09 H new ATOM 0 HB1 ALA A 93 -3.396 6.628 -4.613 1.00 0.10 H new ATOM 0 HB2 ALA A 93 -2.090 7.807 -4.346 1.00 0.10 H new ATOM 0 HB3 ALA A 93 -3.334 8.121 -5.579 1.00 0.10 H new ATOM 1400 N VAL A 94 -3.207 4.733 -6.659 1.00 0.09 N ATOM 1401 CA VAL A 94 -4.136 3.917 -7.414 1.00 0.10 C ATOM 1402 C VAL A 94 -5.065 3.176 -6.478 1.00 0.09 C ATOM 1403 O VAL A 94 -4.641 2.530 -5.519 1.00 0.10 O ATOM 1404 CB VAL A 94 -3.438 2.910 -8.351 1.00 0.12 C ATOM 1405 CG1 VAL A 94 -2.622 1.903 -7.554 1.00 0.15 C ATOM 1406 CG2 VAL A 94 -4.468 2.195 -9.221 1.00 0.14 C ATOM 0 H VAL A 94 -2.903 4.316 -5.779 1.00 0.09 H new ATOM 0 HA VAL A 94 -4.703 4.602 -8.044 1.00 0.10 H new ATOM 0 HB VAL A 94 -2.756 3.461 -8.999 1.00 0.12 H new ATOM 0 HG11 VAL A 94 -2.140 1.204 -8.237 1.00 0.15 H new ATOM 0 HG12 VAL A 94 -1.862 2.427 -6.975 1.00 0.15 H new ATOM 0 HG13 VAL A 94 -3.279 1.355 -6.878 1.00 0.15 H new ATOM 0 HG21 VAL A 94 -3.961 1.487 -9.877 1.00 0.14 H new ATOM 0 HG22 VAL A 94 -5.173 1.659 -8.585 1.00 0.14 H new ATOM 0 HG23 VAL A 94 -5.007 2.927 -9.823 1.00 0.14 H new ATOM 1416 N VAL A 95 -6.337 3.298 -6.773 1.00 0.09 N ATOM 1417 CA VAL A 95 -7.377 2.681 -5.988 1.00 0.09 C ATOM 1418 C VAL A 95 -7.952 1.458 -6.683 1.00 0.11 C ATOM 1419 O VAL A 95 -7.977 1.378 -7.907 1.00 0.12 O ATOM 1420 CB VAL A 95 -8.503 3.692 -5.756 1.00 0.09 C ATOM 1421 CG1 VAL A 95 -8.864 4.344 -7.081 1.00 0.10 C ATOM 1422 CG2 VAL A 95 -9.717 3.029 -5.126 1.00 0.09 C ATOM 0 H VAL A 95 -6.681 3.832 -7.571 1.00 0.09 H new ATOM 0 HA VAL A 95 -6.940 2.365 -5.041 1.00 0.09 H new ATOM 0 HB VAL A 95 -8.159 4.456 -5.059 1.00 0.09 H new ATOM 0 HG11 VAL A 95 -9.666 5.066 -6.925 1.00 0.10 H new ATOM 0 HG12 VAL A 95 -7.990 4.854 -7.485 1.00 0.10 H new ATOM 0 HG13 VAL A 95 -9.196 3.580 -7.784 1.00 0.10 H new ATOM 0 HG21 VAL A 95 -10.499 3.772 -4.974 1.00 0.09 H new ATOM 0 HG22 VAL A 95 -10.086 2.244 -5.786 1.00 0.09 H new ATOM 0 HG23 VAL A 95 -9.437 2.595 -4.166 1.00 0.09 H new ATOM 1432 N CYS A 96 -8.409 0.513 -5.880 1.00 0.11 N ATOM 1433 CA CYS A 96 -9.012 -0.701 -6.382 1.00 0.13 C ATOM 1434 C CYS A 96 -10.420 -0.825 -5.846 1.00 0.13 C ATOM 1435 O CYS A 96 -10.757 -0.244 -4.817 1.00 0.14 O ATOM 1436 CB CYS A 96 -8.181 -1.920 -5.982 1.00 0.14 C ATOM 1437 SG CYS A 96 -6.699 -2.167 -7.005 1.00 0.17 S ATOM 0 H CYS A 96 -8.371 0.569 -4.862 1.00 0.11 H new ATOM 0 HA CYS A 96 -9.045 -0.656 -7.471 1.00 0.13 H new ATOM 0 HB2 CYS A 96 -7.878 -1.815 -4.940 1.00 0.14 H new ATOM 0 HB3 CYS A 96 -8.806 -2.811 -6.044 1.00 0.14 H new ATOM 1442 N GLY A 97 -11.244 -1.564 -6.560 1.00 0.15 N ATOM 1443 CA GLY A 97 -12.608 -1.753 -6.144 1.00 0.16 C ATOM 1444 C GLY A 97 -12.828 -3.158 -5.654 1.00 0.16 C ATOM 1445 O GLY A 97 -13.930 -3.534 -5.254 1.00 0.17 O ATOM 0 H GLY A 97 -10.990 -2.039 -7.426 1.00 0.15 H new ATOM 0 HA2 GLY A 97 -12.853 -1.045 -5.353 1.00 0.16 H new ATOM 0 HA3 GLY A 97 -13.279 -1.545 -6.977 1.00 0.16 H new ATOM 1449 N LYS A 98 -11.755 -3.932 -5.694 1.00 0.16 N ATOM 1450 CA LYS A 98 -11.784 -5.312 -5.259 1.00 0.16 C ATOM 1451 C LYS A 98 -10.422 -5.732 -4.728 1.00 0.16 C ATOM 1452 O LYS A 98 -9.409 -5.599 -5.412 1.00 0.19 O ATOM 1453 CB LYS A 98 -12.174 -6.229 -6.417 1.00 0.20 C ATOM 1454 CG LYS A 98 -13.060 -7.389 -5.998 1.00 0.20 C ATOM 1455 CD LYS A 98 -12.451 -8.208 -4.868 1.00 0.21 C ATOM 1456 CE LYS A 98 -13.510 -8.627 -3.870 1.00 0.43 C ATOM 1457 NZ LYS A 98 -14.552 -9.490 -4.490 1.00 0.66 N ATOM 0 H LYS A 98 -10.844 -3.619 -6.029 1.00 0.16 H new ATOM 0 HA LYS A 98 -12.524 -5.399 -4.464 1.00 0.16 H new ATOM 0 HB2 LYS A 98 -12.691 -5.643 -7.176 1.00 0.20 H new ATOM 0 HB3 LYS A 98 -11.269 -6.622 -6.880 1.00 0.20 H new ATOM 0 HG2 LYS A 98 -14.030 -7.006 -5.683 1.00 0.20 H new ATOM 0 HG3 LYS A 98 -13.237 -8.036 -6.857 1.00 0.20 H new ATOM 0 HD2 LYS A 98 -11.962 -9.092 -5.277 1.00 0.21 H new ATOM 0 HD3 LYS A 98 -11.682 -7.623 -4.364 1.00 0.21 H new ATOM 0 HE2 LYS A 98 -13.039 -9.163 -3.046 1.00 0.43 H new ATOM 0 HE3 LYS A 98 -13.980 -7.739 -3.446 1.00 0.43 H new ATOM 0 HZ1 LYS A 98 -15.189 -9.850 -3.751 1.00 0.66 H new ATOM 0 HZ2 LYS A 98 -15.099 -8.934 -5.178 1.00 0.66 H new ATOM 0 HZ3 LYS A 98 -14.097 -10.290 -4.975 1.00 0.66 H new ATOM 1471 N MET A 99 -10.408 -6.236 -3.506 1.00 0.17 N ATOM 1472 CA MET A 99 -9.183 -6.707 -2.900 1.00 0.20 C ATOM 1473 C MET A 99 -9.333 -8.183 -2.591 1.00 0.22 C ATOM 1474 O MET A 99 -10.055 -8.569 -1.671 1.00 0.23 O ATOM 1475 CB MET A 99 -8.864 -5.916 -1.637 1.00 0.22 C ATOM 1476 CG MET A 99 -7.379 -5.768 -1.390 1.00 0.27 C ATOM 1477 SD MET A 99 -6.930 -6.274 0.267 1.00 0.97 S ATOM 1478 CE MET A 99 -7.377 -7.990 0.127 1.00 1.36 C ATOM 0 H MET A 99 -11.235 -6.328 -2.916 1.00 0.17 H new ATOM 0 HA MET A 99 -8.353 -6.562 -3.591 1.00 0.20 H new ATOM 0 HB2 MET A 99 -9.314 -4.926 -1.712 1.00 0.22 H new ATOM 0 HB3 MET A 99 -9.321 -6.411 -0.780 1.00 0.22 H new ATOM 0 HG2 MET A 99 -6.828 -6.367 -2.115 1.00 0.27 H new ATOM 0 HG3 MET A 99 -7.086 -4.730 -1.545 1.00 0.27 H new ATOM 0 HE1 MET A 99 -6.825 -8.571 0.866 1.00 1.36 H new ATOM 0 HE2 MET A 99 -8.447 -8.103 0.302 1.00 1.36 H new ATOM 0 HE3 MET A 99 -7.133 -8.349 -0.873 1.00 1.36 H new ATOM 1488 N LYS A 100 -8.646 -9.005 -3.367 1.00 0.25 N ATOM 1489 CA LYS A 100 -8.731 -10.452 -3.208 1.00 0.28 C ATOM 1490 C LYS A 100 -7.574 -11.015 -2.389 1.00 0.25 C ATOM 1491 O LYS A 100 -7.773 -11.533 -1.290 1.00 0.28 O ATOM 1492 CB LYS A 100 -8.749 -11.119 -4.581 1.00 0.34 C ATOM 1493 CG LYS A 100 -9.751 -10.502 -5.539 1.00 0.39 C ATOM 1494 CD LYS A 100 -9.443 -10.877 -6.978 1.00 0.47 C ATOM 1495 CE LYS A 100 -10.459 -10.276 -7.938 1.00 0.54 C ATOM 1496 NZ LYS A 100 -11.813 -10.872 -7.762 1.00 1.25 N ATOM 0 H LYS A 100 -8.023 -8.698 -4.114 1.00 0.25 H new ATOM 0 HA LYS A 100 -9.653 -10.665 -2.668 1.00 0.28 H new ATOM 0 HB2 LYS A 100 -7.753 -11.057 -5.020 1.00 0.34 H new ATOM 0 HB3 LYS A 100 -8.979 -12.178 -4.459 1.00 0.34 H new ATOM 0 HG2 LYS A 100 -10.756 -10.835 -5.281 1.00 0.39 H new ATOM 0 HG3 LYS A 100 -9.738 -9.417 -5.433 1.00 0.39 H new ATOM 0 HD2 LYS A 100 -8.443 -10.530 -7.240 1.00 0.47 H new ATOM 0 HD3 LYS A 100 -9.441 -11.962 -7.080 1.00 0.47 H new ATOM 0 HE2 LYS A 100 -10.514 -9.199 -7.780 1.00 0.54 H new ATOM 0 HE3 LYS A 100 -10.125 -10.432 -8.964 1.00 0.54 H new ATOM 0 HZ1 LYS A 100 -12.432 -10.564 -8.539 1.00 1.25 H new ATOM 0 HZ2 LYS A 100 -11.739 -11.909 -7.769 1.00 1.25 H new ATOM 0 HZ3 LYS A 100 -12.215 -10.560 -6.855 1.00 1.25 H new ATOM 1510 N GLY A 101 -6.368 -10.907 -2.934 1.00 0.25 N ATOM 1511 CA GLY A 101 -5.197 -11.439 -2.263 1.00 0.28 C ATOM 1512 C GLY A 101 -4.620 -10.500 -1.228 1.00 0.24 C ATOM 1513 O GLY A 101 -5.241 -10.250 -0.195 1.00 0.33 O ATOM 0 H GLY A 101 -6.180 -10.459 -3.831 1.00 0.25 H new ATOM 0 HA2 GLY A 101 -5.460 -12.381 -1.782 1.00 0.28 H new ATOM 0 HA3 GLY A 101 -4.432 -11.663 -3.006 1.00 0.28 H new ATOM 1517 N LYS A 102 -3.428 -9.976 -1.526 1.00 0.31 N ATOM 1518 CA LYS A 102 -2.714 -9.057 -0.636 1.00 0.31 C ATOM 1519 C LYS A 102 -2.993 -9.353 0.836 1.00 0.30 C ATOM 1520 O LYS A 102 -2.344 -10.202 1.448 1.00 0.61 O ATOM 1521 CB LYS A 102 -3.062 -7.597 -0.950 1.00 0.36 C ATOM 1522 CG LYS A 102 -4.341 -7.418 -1.732 1.00 0.70 C ATOM 1523 CD LYS A 102 -4.127 -6.545 -2.951 1.00 0.56 C ATOM 1524 CE LYS A 102 -4.747 -7.179 -4.178 1.00 1.01 C ATOM 1525 NZ LYS A 102 -6.213 -7.384 -4.012 1.00 2.08 N ATOM 0 H LYS A 102 -2.930 -10.178 -2.393 1.00 0.31 H new ATOM 0 HA LYS A 102 -1.650 -9.212 -0.816 1.00 0.31 H new ATOM 0 HB2 LYS A 102 -3.142 -7.045 -0.013 1.00 0.36 H new ATOM 0 HB3 LYS A 102 -2.241 -7.153 -1.512 1.00 0.36 H new ATOM 0 HG2 LYS A 102 -4.719 -8.392 -2.042 1.00 0.70 H new ATOM 0 HG3 LYS A 102 -5.101 -6.971 -1.091 1.00 0.70 H new ATOM 0 HD2 LYS A 102 -4.566 -5.562 -2.782 1.00 0.56 H new ATOM 0 HD3 LYS A 102 -3.060 -6.394 -3.113 1.00 0.56 H new ATOM 0 HE2 LYS A 102 -4.564 -6.546 -5.046 1.00 1.01 H new ATOM 0 HE3 LYS A 102 -4.266 -8.137 -4.375 1.00 1.01 H new ATOM 0 HZ1 LYS A 102 -6.566 -7.997 -4.774 1.00 2.08 H new ATOM 0 HZ2 LYS A 102 -6.399 -7.833 -3.093 1.00 2.08 H new ATOM 0 HZ3 LYS A 102 -6.699 -6.465 -4.053 1.00 2.08 H new ATOM 1539 N GLY A 103 -3.966 -8.642 1.389 1.00 0.37 N ATOM 1540 CA GLY A 103 -4.343 -8.814 2.775 1.00 0.38 C ATOM 1541 C GLY A 103 -5.403 -7.813 3.169 1.00 0.44 C ATOM 1542 O GLY A 103 -5.419 -6.695 2.658 1.00 0.49 O ATOM 0 H GLY A 103 -4.509 -7.937 0.890 1.00 0.37 H new ATOM 0 HA2 GLY A 103 -4.715 -9.826 2.933 1.00 0.38 H new ATOM 0 HA3 GLY A 103 -3.467 -8.694 3.413 1.00 0.38 H new ATOM 1546 N SER A 104 -6.287 -8.196 4.078 1.00 0.48 N ATOM 1547 CA SER A 104 -7.354 -7.301 4.497 1.00 0.56 C ATOM 1548 C SER A 104 -7.275 -6.973 5.977 1.00 0.49 C ATOM 1549 O SER A 104 -6.939 -7.824 6.800 1.00 0.39 O ATOM 1550 CB SER A 104 -8.713 -7.915 4.189 1.00 0.64 C ATOM 1551 OG SER A 104 -8.770 -8.405 2.861 1.00 1.20 O ATOM 0 H SER A 104 -6.288 -9.108 4.534 1.00 0.48 H new ATOM 0 HA SER A 104 -7.231 -6.374 3.937 1.00 0.56 H new ATOM 0 HB2 SER A 104 -8.913 -8.728 4.887 1.00 0.64 H new ATOM 0 HB3 SER A 104 -9.493 -7.168 4.337 1.00 0.64 H new ATOM 0 HG SER A 104 -9.252 -9.258 2.847 1.00 1.20 H new ATOM 1557 N CYS A 105 -7.585 -5.724 6.304 1.00 0.62 N ATOM 1558 CA CYS A 105 -7.592 -5.272 7.684 1.00 0.62 C ATOM 1559 C CYS A 105 -8.624 -6.062 8.466 1.00 0.51 C ATOM 1560 O CYS A 105 -9.246 -6.975 7.921 1.00 0.50 O ATOM 1561 CB CYS A 105 -7.915 -3.782 7.762 1.00 0.85 C ATOM 1562 SG CYS A 105 -6.993 -2.764 6.570 1.00 1.95 S ATOM 0 H CYS A 105 -7.836 -5.005 5.625 1.00 0.62 H new ATOM 0 HA CYS A 105 -6.602 -5.433 8.112 1.00 0.62 H new ATOM 0 HB2 CYS A 105 -8.983 -3.643 7.594 1.00 0.85 H new ATOM 0 HB3 CYS A 105 -7.702 -3.426 8.770 1.00 0.85 H new ATOM 1567 N THR A 106 -8.799 -5.719 9.740 1.00 0.50 N ATOM 1568 CA THR A 106 -9.770 -6.397 10.599 1.00 0.46 C ATOM 1569 C THR A 106 -9.715 -7.915 10.410 1.00 0.60 C ATOM 1570 O THR A 106 -10.696 -8.621 10.647 1.00 0.95 O ATOM 1571 CB THR A 106 -11.212 -5.875 10.359 1.00 0.59 C ATOM 1572 OG1 THR A 106 -12.151 -6.646 11.117 1.00 1.21 O ATOM 1573 CG2 THR A 106 -11.597 -5.909 8.882 1.00 0.57 C ATOM 0 H THR A 106 -8.280 -4.973 10.203 1.00 0.50 H new ATOM 0 HA THR A 106 -9.497 -6.168 11.629 1.00 0.46 H new ATOM 0 HB THR A 106 -11.236 -4.836 10.687 1.00 0.59 H new ATOM 0 HG1 THR A 106 -12.003 -7.600 10.948 1.00 1.21 H new ATOM 0 HG21 THR A 106 -12.614 -5.535 8.762 1.00 0.57 H new ATOM 0 HG22 THR A 106 -10.910 -5.283 8.313 1.00 0.57 H new ATOM 0 HG23 THR A 106 -11.542 -6.934 8.515 1.00 0.57 H new ATOM 1581 N ASP A 107 -8.551 -8.404 9.987 1.00 0.51 N ATOM 1582 CA ASP A 107 -8.341 -9.831 9.764 1.00 0.75 C ATOM 1583 C ASP A 107 -6.864 -10.188 9.913 1.00 0.84 C ATOM 1584 O ASP A 107 -6.522 -11.249 10.437 1.00 1.21 O ATOM 1585 CB ASP A 107 -8.840 -10.239 8.376 1.00 0.89 C ATOM 1586 CG ASP A 107 -10.351 -10.186 8.261 1.00 1.46 C ATOM 1587 OD1 ASP A 107 -11.006 -11.201 8.578 1.00 1.50 O ATOM 1588 OD2 ASP A 107 -10.879 -9.130 7.853 1.00 2.19 O ATOM 0 H ASP A 107 -7.733 -7.827 9.791 1.00 0.51 H new ATOM 0 HA ASP A 107 -8.911 -10.377 10.516 1.00 0.75 H new ATOM 0 HB2 ASP A 107 -8.399 -9.581 7.627 1.00 0.89 H new ATOM 0 HB3 ASP A 107 -8.498 -11.250 8.153 1.00 0.89 H new ATOM 1593 N GLY A 108 -5.992 -9.295 9.447 1.00 0.62 N ATOM 1594 CA GLY A 108 -4.561 -9.530 9.542 1.00 0.72 C ATOM 1595 C GLY A 108 -3.817 -9.153 8.273 1.00 0.58 C ATOM 1596 O GLY A 108 -3.212 -10.008 7.626 1.00 0.67 O ATOM 0 H GLY A 108 -6.252 -8.413 9.005 1.00 0.62 H new ATOM 0 HA2 GLY A 108 -4.158 -8.958 10.378 1.00 0.72 H new ATOM 0 HA3 GLY A 108 -4.384 -10.583 9.762 1.00 0.72 H new ATOM 1600 N GLU A 109 -3.862 -7.871 7.918 1.00 0.45 N ATOM 1601 CA GLU A 109 -3.191 -7.382 6.720 1.00 0.35 C ATOM 1602 C GLU A 109 -1.693 -7.667 6.753 1.00 0.36 C ATOM 1603 O GLU A 109 -0.992 -7.265 7.683 1.00 0.52 O ATOM 1604 CB GLU A 109 -3.428 -5.886 6.581 1.00 0.39 C ATOM 1605 CG GLU A 109 -4.166 -5.512 5.313 1.00 1.51 C ATOM 1606 CD GLU A 109 -3.252 -5.450 4.105 1.00 2.07 C ATOM 1607 OE1 GLU A 109 -2.671 -6.496 3.747 1.00 2.76 O ATOM 1608 OE2 GLU A 109 -3.118 -4.357 3.518 1.00 2.32 O ATOM 0 H GLU A 109 -4.358 -7.152 8.445 1.00 0.45 H new ATOM 0 HA GLU A 109 -3.609 -7.908 5.862 1.00 0.35 H new ATOM 0 HB2 GLU A 109 -3.997 -5.534 7.442 1.00 0.39 H new ATOM 0 HB3 GLU A 109 -2.468 -5.370 6.600 1.00 0.39 H new ATOM 0 HG2 GLU A 109 -4.957 -6.239 5.129 1.00 1.51 H new ATOM 0 HG3 GLU A 109 -4.648 -4.544 5.449 1.00 1.51 H new ATOM 1615 N GLU A 110 -1.211 -8.365 5.729 1.00 0.33 N ATOM 1616 CA GLU A 110 0.190 -8.699 5.616 1.00 0.36 C ATOM 1617 C GLU A 110 0.914 -7.835 4.600 1.00 0.30 C ATOM 1618 O GLU A 110 1.782 -7.037 4.955 1.00 0.29 O ATOM 1619 CB GLU A 110 0.326 -10.147 5.210 1.00 0.45 C ATOM 1620 CG GLU A 110 1.037 -10.964 6.246 1.00 1.00 C ATOM 1621 CD GLU A 110 1.100 -12.438 5.899 1.00 1.22 C ATOM 1622 OE1 GLU A 110 2.053 -12.843 5.200 1.00 1.55 O ATOM 1623 OE2 GLU A 110 0.197 -13.188 6.327 1.00 1.31 O ATOM 0 H GLU A 110 -1.785 -8.711 4.960 1.00 0.33 H new ATOM 0 HA GLU A 110 0.646 -8.520 6.590 1.00 0.36 H new ATOM 0 HB2 GLU A 110 -0.664 -10.568 5.036 1.00 0.45 H new ATOM 0 HB3 GLU A 110 0.869 -10.208 4.267 1.00 0.45 H new ATOM 0 HG2 GLU A 110 2.050 -10.582 6.369 1.00 1.00 H new ATOM 0 HG3 GLU A 110 0.532 -10.844 7.205 1.00 1.00 H new ATOM 1630 N ILE A 111 0.552 -8.004 3.334 1.00 0.27 N ATOM 1631 CA ILE A 111 1.202 -7.280 2.256 1.00 0.23 C ATOM 1632 C ILE A 111 0.268 -7.016 1.081 1.00 0.24 C ATOM 1633 O ILE A 111 -0.886 -7.435 1.080 1.00 0.28 O ATOM 1634 CB ILE A 111 2.435 -8.053 1.761 1.00 0.25 C ATOM 1635 CG1 ILE A 111 2.086 -9.528 1.483 1.00 0.31 C ATOM 1636 CG2 ILE A 111 3.555 -7.945 2.788 1.00 0.26 C ATOM 1637 CD1 ILE A 111 1.516 -9.789 0.106 1.00 0.34 C ATOM 0 H ILE A 111 -0.189 -8.637 3.032 1.00 0.27 H new ATOM 0 HA ILE A 111 1.503 -6.315 2.664 1.00 0.23 H new ATOM 0 HB ILE A 111 2.772 -7.612 0.823 1.00 0.25 H new ATOM 0 HG12 ILE A 111 2.985 -10.131 1.611 1.00 0.31 H new ATOM 0 HG13 ILE A 111 1.367 -9.865 2.230 1.00 0.31 H new ATOM 0 HG21 ILE A 111 4.427 -8.494 2.434 1.00 0.26 H new ATOM 0 HG22 ILE A 111 3.819 -6.897 2.930 1.00 0.26 H new ATOM 0 HG23 ILE A 111 3.221 -8.367 3.736 1.00 0.26 H new ATOM 0 HD11 ILE A 111 1.300 -10.852 -0.003 1.00 0.34 H new ATOM 0 HD12 ILE A 111 0.597 -9.217 -0.022 1.00 0.34 H new ATOM 0 HD13 ILE A 111 2.240 -9.487 -0.651 1.00 0.34 H new ATOM 1649 N PHE A 112 0.791 -6.302 0.088 1.00 0.24 N ATOM 1650 CA PHE A 112 0.038 -5.956 -1.111 1.00 0.29 C ATOM 1651 C PHE A 112 0.546 -6.755 -2.314 1.00 0.36 C ATOM 1652 O PHE A 112 1.353 -6.267 -3.107 1.00 0.41 O ATOM 1653 CB PHE A 112 0.148 -4.440 -1.361 1.00 0.31 C ATOM 1654 CG PHE A 112 0.011 -4.006 -2.801 1.00 0.39 C ATOM 1655 CD1 PHE A 112 -1.087 -4.377 -3.561 1.00 0.59 C ATOM 1656 CD2 PHE A 112 0.996 -3.226 -3.392 1.00 0.45 C ATOM 1657 CE1 PHE A 112 -1.201 -3.978 -4.880 1.00 0.72 C ATOM 1658 CE2 PHE A 112 0.887 -2.825 -4.710 1.00 0.56 C ATOM 1659 CZ PHE A 112 -0.213 -3.201 -5.455 1.00 0.66 C ATOM 0 H PHE A 112 1.748 -5.948 0.093 1.00 0.24 H new ATOM 0 HA PHE A 112 -1.012 -6.213 -0.968 1.00 0.29 H new ATOM 0 HB2 PHE A 112 -0.619 -3.936 -0.773 1.00 0.31 H new ATOM 0 HB3 PHE A 112 1.113 -4.097 -0.987 1.00 0.31 H new ATOM 0 HD1 PHE A 112 -1.862 -4.985 -3.118 1.00 0.59 H new ATOM 0 HD2 PHE A 112 1.859 -2.929 -2.814 1.00 0.45 H new ATOM 0 HE1 PHE A 112 -2.062 -4.274 -5.461 1.00 0.72 H new ATOM 0 HE2 PHE A 112 1.661 -2.218 -5.157 1.00 0.56 H new ATOM 0 HZ PHE A 112 -0.301 -2.889 -6.485 1.00 0.66 H new ATOM 1669 N ARG A 113 0.079 -7.994 -2.452 1.00 0.42 N ATOM 1670 CA ARG A 113 0.512 -8.828 -3.562 1.00 0.50 C ATOM 1671 C ARG A 113 -0.542 -8.831 -4.671 1.00 0.93 C ATOM 1672 O ARG A 113 -1.702 -9.178 -4.451 1.00 1.16 O ATOM 1673 CB ARG A 113 0.832 -10.250 -3.079 1.00 0.46 C ATOM 1674 CG ARG A 113 -0.282 -10.902 -2.286 1.00 0.76 C ATOM 1675 CD ARG A 113 -0.029 -12.384 -2.090 1.00 1.11 C ATOM 1676 NE ARG A 113 0.043 -13.101 -3.360 1.00 1.60 N ATOM 1677 CZ ARG A 113 -0.150 -14.411 -3.479 1.00 2.10 C ATOM 1678 NH1 ARG A 113 -0.425 -15.145 -2.410 1.00 2.30 N ATOM 1679 NH2 ARG A 113 -0.068 -14.987 -4.671 1.00 2.76 N ATOM 0 H ARG A 113 -0.588 -8.434 -1.818 1.00 0.42 H new ATOM 0 HA ARG A 113 1.429 -8.410 -3.978 1.00 0.50 H new ATOM 0 HB2 ARG A 113 1.060 -10.873 -3.944 1.00 0.46 H new ATOM 0 HB3 ARG A 113 1.731 -10.219 -2.463 1.00 0.46 H new ATOM 0 HG2 ARG A 113 -0.372 -10.415 -1.315 1.00 0.76 H new ATOM 0 HG3 ARG A 113 -1.231 -10.759 -2.803 1.00 0.76 H new ATOM 0 HD2 ARG A 113 0.903 -12.523 -1.542 1.00 1.11 H new ATOM 0 HD3 ARG A 113 -0.825 -12.810 -1.478 1.00 1.11 H new ATOM 0 HE ARG A 113 0.253 -12.567 -4.203 1.00 1.60 H new ATOM 0 HH11 ARG A 113 -0.489 -14.705 -1.492 1.00 2.30 H new ATOM 0 HH12 ARG A 113 -0.572 -16.150 -2.505 1.00 2.30 H new ATOM 0 HH21 ARG A 113 0.143 -14.425 -5.496 1.00 2.76 H new ATOM 0 HH22 ARG A 113 -0.216 -15.992 -4.763 1.00 2.76 H new ATOM 1693 N GLY A 114 -0.099 -8.421 -5.864 1.00 1.20 N ATOM 1694 CA GLY A 114 -0.961 -8.313 -7.037 1.00 1.68 C ATOM 1695 C GLY A 114 -2.089 -9.326 -7.119 1.00 0.77 C ATOM 1696 O GLY A 114 -1.883 -10.464 -7.539 1.00 0.38 O ATOM 0 H GLY A 114 0.870 -8.155 -6.040 1.00 1.20 H new ATOM 0 HA2 GLY A 114 -1.393 -7.313 -7.057 1.00 1.68 H new ATOM 0 HA3 GLY A 114 -0.343 -8.411 -7.930 1.00 1.68 H new ATOM 1700 N ASN A 115 -3.290 -8.893 -6.731 1.00 0.78 N ATOM 1701 CA ASN A 115 -4.485 -9.734 -6.782 1.00 0.50 C ATOM 1702 C ASN A 115 -5.752 -8.888 -6.670 1.00 0.37 C ATOM 1703 O ASN A 115 -6.797 -9.380 -6.245 1.00 0.44 O ATOM 1704 CB ASN A 115 -4.476 -10.771 -5.662 1.00 1.43 C ATOM 1705 CG ASN A 115 -3.626 -11.986 -5.982 1.00 1.80 C ATOM 1706 OD1 ASN A 115 -4.078 -12.913 -6.654 1.00 2.12 O ATOM 1707 ND2 ASN A 115 -2.393 -11.993 -5.490 1.00 2.44 N ATOM 0 H ASN A 115 -3.460 -7.953 -6.374 1.00 0.78 H new ATOM 0 HA ASN A 115 -4.478 -10.247 -7.743 1.00 0.50 H new ATOM 0 HB2 ASN A 115 -4.106 -10.307 -4.748 1.00 1.43 H new ATOM 0 HB3 ASN A 115 -5.499 -11.092 -5.464 1.00 1.43 H new ATOM 0 HD21 ASN A 115 -1.779 -12.789 -5.664 1.00 2.44 H new ATOM 0 HD22 ASN A 115 -2.060 -11.203 -4.938 1.00 2.44 H new ATOM 1714 N ASP A 116 -5.661 -7.618 -7.056 1.00 0.38 N ATOM 1715 CA ASP A 116 -6.807 -6.715 -6.975 1.00 0.28 C ATOM 1716 C ASP A 116 -7.562 -6.628 -8.290 1.00 0.29 C ATOM 1717 O ASP A 116 -7.045 -6.977 -9.351 1.00 0.40 O ATOM 1718 CB ASP A 116 -6.364 -5.313 -6.558 1.00 0.23 C ATOM 1719 CG ASP A 116 -4.989 -4.955 -7.088 1.00 0.26 C ATOM 1720 OD1 ASP A 116 -4.859 -4.761 -8.316 1.00 0.44 O ATOM 1721 OD2 ASP A 116 -4.043 -4.868 -6.278 1.00 0.61 O ATOM 0 H ASP A 116 -4.811 -7.192 -7.426 1.00 0.38 H new ATOM 0 HA ASP A 116 -7.477 -7.129 -6.222 1.00 0.28 H new ATOM 0 HB2 ASP A 116 -7.090 -4.584 -6.919 1.00 0.23 H new ATOM 0 HB3 ASP A 116 -6.359 -5.246 -5.470 1.00 0.23 H new ATOM 1726 N ALA A 117 -8.796 -6.153 -8.197 1.00 0.25 N ATOM 1727 CA ALA A 117 -9.656 -5.985 -9.358 1.00 0.27 C ATOM 1728 C ALA A 117 -10.362 -4.650 -9.312 1.00 0.24 C ATOM 1729 O ALA A 117 -10.408 -3.996 -8.269 1.00 0.21 O ATOM 1730 CB ALA A 117 -10.689 -7.096 -9.422 1.00 0.30 C ATOM 0 H ALA A 117 -9.228 -5.874 -7.316 1.00 0.25 H new ATOM 0 HA ALA A 117 -9.027 -6.026 -10.247 1.00 0.27 H new ATOM 0 HB1 ALA A 117 -11.323 -6.953 -10.297 1.00 0.30 H new ATOM 0 HB2 ALA A 117 -10.184 -8.059 -9.493 1.00 0.30 H new ATOM 0 HB3 ALA A 117 -11.303 -7.074 -8.522 1.00 0.30 H new ATOM 1736 N GLU A 118 -10.917 -4.252 -10.447 1.00 0.28 N ATOM 1737 CA GLU A 118 -11.641 -3.001 -10.525 1.00 0.28 C ATOM 1738 C GLU A 118 -10.809 -1.847 -9.969 1.00 0.23 C ATOM 1739 O GLU A 118 -11.215 -1.198 -9.010 1.00 0.21 O ATOM 1740 CB GLU A 118 -12.940 -3.143 -9.731 1.00 0.30 C ATOM 1741 CG GLU A 118 -13.914 -4.148 -10.326 1.00 0.35 C ATOM 1742 CD GLU A 118 -14.313 -3.808 -11.748 1.00 1.06 C ATOM 1743 OE1 GLU A 118 -13.626 -4.269 -12.684 1.00 1.88 O ATOM 1744 OE2 GLU A 118 -15.314 -3.082 -11.926 1.00 0.97 O ATOM 0 H GLU A 118 -10.878 -4.777 -11.321 1.00 0.28 H new ATOM 0 HA GLU A 118 -11.859 -2.776 -11.569 1.00 0.28 H new ATOM 0 HB2 GLU A 118 -12.701 -3.443 -8.711 1.00 0.30 H new ATOM 0 HB3 GLU A 118 -13.427 -2.170 -9.671 1.00 0.30 H new ATOM 0 HG2 GLU A 118 -13.462 -5.140 -10.308 1.00 0.35 H new ATOM 0 HG3 GLU A 118 -14.808 -4.193 -9.704 1.00 0.35 H new ATOM 1751 N CYS A 119 -9.667 -1.558 -10.593 1.00 0.22 N ATOM 1752 CA CYS A 119 -8.809 -0.477 -10.099 1.00 0.18 C ATOM 1753 C CYS A 119 -8.586 0.621 -11.129 1.00 0.18 C ATOM 1754 O CYS A 119 -8.546 0.378 -12.336 1.00 0.21 O ATOM 1755 CB CYS A 119 -7.438 -1.006 -9.676 1.00 0.17 C ATOM 1756 SG CYS A 119 -7.467 -2.612 -8.825 1.00 0.18 S ATOM 0 H CYS A 119 -9.319 -2.042 -11.421 1.00 0.22 H new ATOM 0 HA CYS A 119 -9.340 -0.057 -9.244 1.00 0.18 H new ATOM 0 HB2 CYS A 119 -6.809 -1.092 -10.562 1.00 0.17 H new ATOM 0 HB3 CYS A 119 -6.968 -0.272 -9.021 1.00 0.17 H new ATOM 1761 N ARG A 120 -8.443 1.835 -10.608 1.00 0.16 N ATOM 1762 CA ARG A 120 -8.208 3.019 -11.406 1.00 0.17 C ATOM 1763 C ARG A 120 -7.204 3.928 -10.694 1.00 0.15 C ATOM 1764 O ARG A 120 -7.000 3.801 -9.489 1.00 0.15 O ATOM 1765 CB ARG A 120 -9.526 3.747 -11.609 1.00 0.18 C ATOM 1766 CG ARG A 120 -9.903 4.640 -10.451 1.00 0.27 C ATOM 1767 CD ARG A 120 -9.847 6.098 -10.857 1.00 0.39 C ATOM 1768 NE ARG A 120 -10.998 6.483 -11.670 1.00 0.70 N ATOM 1769 CZ ARG A 120 -11.073 7.620 -12.354 1.00 0.89 C ATOM 1770 NH1 ARG A 120 -10.069 8.486 -12.321 1.00 0.82 N ATOM 1771 NH2 ARG A 120 -12.154 7.894 -13.071 1.00 1.42 N ATOM 0 H ARG A 120 -8.489 2.020 -9.606 1.00 0.16 H new ATOM 0 HA ARG A 120 -7.797 2.739 -12.376 1.00 0.17 H new ATOM 0 HB2 ARG A 120 -9.465 4.348 -12.516 1.00 0.18 H new ATOM 0 HB3 ARG A 120 -10.317 3.014 -11.765 1.00 0.18 H new ATOM 0 HG2 ARG A 120 -10.907 4.392 -10.106 1.00 0.27 H new ATOM 0 HG3 ARG A 120 -9.226 4.464 -9.615 1.00 0.27 H new ATOM 0 HD2 ARG A 120 -9.809 6.722 -9.964 1.00 0.39 H new ATOM 0 HD3 ARG A 120 -8.930 6.284 -11.416 1.00 0.39 H new ATOM 0 HE ARG A 120 -11.790 5.842 -11.715 1.00 0.70 H new ATOM 0 HH11 ARG A 120 -9.236 8.280 -11.769 1.00 0.82 H new ATOM 0 HH12 ARG A 120 -10.130 9.358 -12.847 1.00 0.82 H new ATOM 0 HH21 ARG A 120 -12.929 7.232 -13.098 1.00 1.42 H new ATOM 0 HH22 ARG A 120 -12.210 8.767 -13.595 1.00 1.42 H new ATOM 1785 N PRO A 121 -6.566 4.861 -11.421 1.00 0.14 N ATOM 1786 CA PRO A 121 -5.590 5.780 -10.833 1.00 0.13 C ATOM 1787 C PRO A 121 -6.253 6.829 -9.945 1.00 0.12 C ATOM 1788 O PRO A 121 -7.166 7.533 -10.378 1.00 0.14 O ATOM 1789 CB PRO A 121 -4.953 6.428 -12.054 1.00 0.15 C ATOM 1790 CG PRO A 121 -6.035 6.413 -13.064 1.00 0.38 C ATOM 1791 CD PRO A 121 -6.736 5.101 -12.864 1.00 0.19 C ATOM 0 HA PRO A 121 -4.877 5.273 -10.183 1.00 0.13 H new ATOM 0 HB2 PRO A 121 -4.619 7.443 -11.840 1.00 0.15 H new ATOM 0 HB3 PRO A 121 -4.080 5.870 -12.394 1.00 0.15 H new ATOM 0 HG2 PRO A 121 -6.718 7.251 -12.923 1.00 0.38 H new ATOM 0 HG3 PRO A 121 -5.633 6.496 -14.074 1.00 0.38 H new ATOM 0 HD2 PRO A 121 -7.788 5.157 -13.144 1.00 0.19 H new ATOM 0 HD3 PRO A 121 -6.289 4.307 -13.462 1.00 0.19 H new ATOM 1799 N PHE A 122 -5.784 6.932 -8.707 1.00 0.10 N ATOM 1800 CA PHE A 122 -6.343 7.880 -7.752 1.00 0.10 C ATOM 1801 C PHE A 122 -5.370 9.007 -7.442 1.00 0.11 C ATOM 1802 O PHE A 122 -4.159 8.798 -7.381 1.00 0.12 O ATOM 1803 CB PHE A 122 -6.714 7.156 -6.457 1.00 0.09 C ATOM 1804 CG PHE A 122 -8.118 7.431 -5.980 1.00 0.10 C ATOM 1805 CD1 PHE A 122 -9.165 7.622 -6.872 1.00 0.11 C ATOM 1806 CD2 PHE A 122 -8.385 7.499 -4.627 1.00 0.11 C ATOM 1807 CE1 PHE A 122 -10.446 7.874 -6.416 1.00 0.13 C ATOM 1808 CE2 PHE A 122 -9.658 7.750 -4.163 1.00 0.13 C ATOM 1809 CZ PHE A 122 -10.692 7.938 -5.058 1.00 0.13 C ATOM 0 H PHE A 122 -5.016 6.369 -8.341 1.00 0.10 H new ATOM 0 HA PHE A 122 -7.234 8.317 -8.203 1.00 0.10 H new ATOM 0 HB2 PHE A 122 -6.596 6.083 -6.606 1.00 0.09 H new ATOM 0 HB3 PHE A 122 -6.012 7.448 -5.676 1.00 0.09 H new ATOM 0 HD1 PHE A 122 -8.977 7.573 -7.934 1.00 0.11 H new ATOM 0 HD2 PHE A 122 -7.582 7.353 -3.920 1.00 0.11 H new ATOM 0 HE1 PHE A 122 -11.252 8.020 -7.120 1.00 0.13 H new ATOM 0 HE2 PHE A 122 -9.846 7.800 -3.101 1.00 0.13 H new ATOM 0 HZ PHE A 122 -11.691 8.135 -4.698 1.00 0.13 H new ATOM 1819 N THR A 123 -5.909 10.207 -7.257 1.00 0.13 N ATOM 1820 CA THR A 123 -5.091 11.364 -6.935 1.00 0.16 C ATOM 1821 C THR A 123 -5.612 12.069 -5.688 1.00 0.17 C ATOM 1822 O THR A 123 -6.645 12.738 -5.722 1.00 0.19 O ATOM 1823 CB THR A 123 -5.045 12.363 -8.104 1.00 0.19 C ATOM 1824 OG1 THR A 123 -6.370 12.790 -8.443 1.00 0.21 O ATOM 1825 CG2 THR A 123 -4.383 11.734 -9.314 1.00 0.19 C ATOM 0 H THR A 123 -6.908 10.401 -7.325 1.00 0.13 H new ATOM 0 HA THR A 123 -4.081 11.000 -6.746 1.00 0.16 H new ATOM 0 HB THR A 123 -4.460 13.229 -7.793 1.00 0.19 H new ATOM 0 HG1 THR A 123 -6.865 13.001 -7.624 1.00 0.21 H new ATOM 0 HG21 THR A 123 -4.359 12.455 -10.131 1.00 0.19 H new ATOM 0 HG22 THR A 123 -3.365 11.440 -9.060 1.00 0.19 H new ATOM 0 HG23 THR A 123 -4.949 10.855 -9.622 1.00 0.19 H new ATOM 1833 N GLY A 124 -4.883 11.907 -4.590 1.00 0.16 N ATOM 1834 CA GLY A 124 -5.262 12.527 -3.335 1.00 0.17 C ATOM 1835 C GLY A 124 -5.242 14.041 -3.400 1.00 0.24 C ATOM 1836 O GLY A 124 -6.028 14.677 -2.667 1.00 1.05 O ATOM 1837 OXT GLY A 124 -4.439 14.591 -4.184 1.00 1.20 O ATOM 0 H GLY A 124 -4.028 11.352 -4.548 1.00 0.16 H new ATOM 0 HA2 GLY A 124 -6.261 12.193 -3.057 1.00 0.17 H new ATOM 0 HA3 GLY A 124 -4.584 12.192 -2.550 1.00 0.17 H new TER 1841 GLY A 124