USER MOD reduce.3.24.130724 H: found=0, std=0, add=871, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 871 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 23 HIS : no HE2:sc= -1.61! C(o=-1.1!,f=-9.2!) USER MOD Set 1.2: A 30 GLN :FLIP amide:sc= 0.551 F(o=-1.8,f=-1.1) USER MOD Set 2.1: A 11 TYR OH : rot 35:sc= 0.702 USER MOD Set 2.2: A 69 HIS : no HE2:sc= 0.596 K(o=1.3,f=-1.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0352) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 6 MET CE :methyl -147:sc= -0.441 (180deg=-2.47!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0.887 USER MOD Single : A 14 GLN :FLIP amide:sc=-0.00591 F(o=-1,f=-0.0059) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0209 USER MOD Single : A 20 LYS NZ :NH3+ -173:sc= 0.988 (180deg=0.877) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.307 X(o=-0.31,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.207 USER MOD Single : A 33 LYS NZ :NH3+ 149:sc= 1.18 (180deg=0.537) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0.222 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 156:sc= -0.199! (180deg=-2.48!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 152:sc= 1.23 (180deg=0.981) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 57 LYS NZ :NH3+ -142:sc= -3.11! (180deg=-5.37!) USER MOD Single : A 58 ASN : amide:sc= -0.0652 X(o=-0.065,f=-0.14) USER MOD Single : A 61 LYS NZ :NH3+ 172:sc= -0.0856! (180deg=-0.235) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 130:sc= -0.115 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 159:sc= 0.497 (180deg=0.133) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 165:sc= -0.0561 (180deg=-0.287) USER MOD Single : A 89 LYS NZ :NH3+ -141:sc= 1.28 (180deg=-0.387) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 168:sc= -0.0251 (180deg=-0.177) USER MOD Single : A 97 LYS NZ :NH3+ 171:sc= 0.372 (180deg=0.227) USER MOD Single : A 100 HIS : no HD1:sc= -0.409 X(o=-0.41,f=-0.45) USER MOD Single : A 101 HIS :FLIP no HD1:sc= -0.0916 F(o=-0.63,f=-0.092) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 103 HIS : no HD1:sc= -0.159 K(o=-0.16,f=-1.6) USER MOD Single : A 104 HIS : no HD1:sc= -0.629 X(o=-0.63,f=-0.23) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.699 -12.634 -3.167 1.00 14.21 N ATOM 2 CA MET A 1 11.249 -11.979 -4.387 1.00 62.42 C ATOM 3 C MET A 1 11.063 -12.872 -5.624 1.00 4.52 C ATOM 4 O MET A 1 11.922 -13.698 -5.938 1.00 72.14 O ATOM 5 CB MET A 1 12.742 -11.654 -4.198 1.00 71.45 C ATOM 6 CG MET A 1 13.023 -10.623 -3.113 1.00 42.20 C ATOM 7 SD MET A 1 12.236 -9.034 -3.448 1.00 11.23 S ATOM 8 CE MET A 1 12.847 -8.053 -2.077 1.00 3.10 C ATOM 0 H1 MET A 1 10.744 -11.971 -2.367 1.00 14.21 H new ATOM 0 H2 MET A 1 9.709 -12.906 -3.335 1.00 14.21 H new ATOM 0 H3 MET A 1 11.259 -13.482 -2.946 1.00 14.21 H new ATOM 0 HA MET A 1 10.699 -11.051 -4.544 1.00 62.42 H new ATOM 0 HB2 MET A 1 13.275 -12.574 -3.957 1.00 71.45 H new ATOM 0 HB3 MET A 1 13.146 -11.290 -5.143 1.00 71.45 H new ATOM 0 HG2 MET A 1 12.671 -11.004 -2.154 1.00 42.20 H new ATOM 0 HG3 MET A 1 14.100 -10.480 -3.023 1.00 42.20 H new ATOM 0 HE1 MET A 1 12.446 -7.042 -2.146 1.00 3.10 H new ATOM 0 HE2 MET A 1 12.531 -8.505 -1.137 1.00 3.10 H new ATOM 0 HE3 MET A 1 13.936 -8.015 -2.113 1.00 3.10 H new ATOM 20 N ASP A 2 9.933 -12.725 -6.312 1.00 32.52 N ATOM 21 CA ASP A 2 9.674 -13.505 -7.523 1.00 2.21 C ATOM 22 C ASP A 2 10.451 -12.929 -8.717 1.00 40.04 C ATOM 23 O ASP A 2 10.004 -11.991 -9.376 1.00 22.33 O ATOM 24 CB ASP A 2 8.170 -13.543 -7.825 1.00 51.15 C ATOM 25 CG ASP A 2 7.838 -14.424 -9.018 1.00 40.43 C ATOM 26 OD1 ASP A 2 7.946 -13.951 -10.165 1.00 15.32 O ATOM 27 OD2 ASP A 2 7.463 -15.595 -8.813 1.00 41.34 O ATOM 0 H ASP A 2 9.187 -12.079 -6.056 1.00 32.52 H new ATOM 0 HA ASP A 2 10.018 -14.525 -7.354 1.00 2.21 H new ATOM 0 HB2 ASP A 2 7.636 -13.908 -6.948 1.00 51.15 H new ATOM 0 HB3 ASP A 2 7.815 -12.530 -8.016 1.00 51.15 H new ATOM 32 N LEU A 3 11.639 -13.472 -8.960 1.00 2.42 N ATOM 33 CA LEU A 3 12.460 -13.063 -10.107 1.00 63.12 C ATOM 34 C LEU A 3 12.199 -13.954 -11.333 1.00 31.42 C ATOM 35 O LEU A 3 12.796 -13.762 -12.396 1.00 41.44 O ATOM 36 CB LEU A 3 13.959 -13.088 -9.741 1.00 64.40 C ATOM 37 CG LEU A 3 14.625 -14.479 -9.649 1.00 1.22 C ATOM 38 CD1 LEU A 3 16.136 -14.337 -9.457 1.00 15.35 C ATOM 39 CD2 LEU A 3 14.020 -15.323 -8.524 1.00 54.03 C ATOM 0 H LEU A 3 12.060 -14.198 -8.380 1.00 2.42 H new ATOM 0 HA LEU A 3 12.177 -12.043 -10.365 1.00 63.12 H new ATOM 0 HB2 LEU A 3 14.500 -12.499 -10.481 1.00 64.40 H new ATOM 0 HB3 LEU A 3 14.084 -12.586 -8.781 1.00 64.40 H new ATOM 0 HG LEU A 3 14.435 -14.998 -10.589 1.00 1.22 H new ATOM 0 HD11 LEU A 3 16.589 -15.326 -9.394 1.00 15.35 H new ATOM 0 HD12 LEU A 3 16.561 -13.796 -10.303 1.00 15.35 H new ATOM 0 HD13 LEU A 3 16.336 -13.787 -8.537 1.00 15.35 H new ATOM 0 HD21 LEU A 3 14.514 -16.294 -8.491 1.00 54.03 H new ATOM 0 HD22 LEU A 3 14.159 -14.813 -7.571 1.00 54.03 H new ATOM 0 HD23 LEU A 3 12.955 -15.464 -8.708 1.00 54.03 H new ATOM 51 N ASN A 4 11.294 -14.917 -11.181 1.00 21.40 N ATOM 52 CA ASN A 4 10.995 -15.884 -12.243 1.00 3.42 C ATOM 53 C ASN A 4 9.957 -15.337 -13.236 1.00 23.51 C ATOM 54 O ASN A 4 10.093 -15.502 -14.447 1.00 1.11 O ATOM 55 CB ASN A 4 10.489 -17.189 -11.619 1.00 22.31 C ATOM 56 CG ASN A 4 11.476 -17.770 -10.621 1.00 64.53 C ATOM 57 OD1 ASN A 4 12.683 -17.622 -10.763 1.00 32.41 O ATOM 58 ND2 ASN A 4 10.972 -18.429 -9.597 1.00 43.11 N ATOM 0 H ASN A 4 10.750 -15.052 -10.329 1.00 21.40 H new ATOM 0 HA ASN A 4 11.914 -16.071 -12.799 1.00 3.42 H new ATOM 0 HB2 ASN A 4 9.537 -17.006 -11.121 1.00 22.31 H new ATOM 0 HB3 ASN A 4 10.301 -17.918 -12.408 1.00 22.31 H new ATOM 0 HD21 ASN A 4 11.592 -18.833 -8.895 1.00 43.11 H new ATOM 0 HD22 ASN A 4 9.962 -18.535 -9.506 1.00 43.11 H new ATOM 65 N ARG A 5 8.920 -14.690 -12.713 1.00 3.04 N ATOM 66 CA ARG A 5 7.834 -14.151 -13.541 1.00 13.12 C ATOM 67 C ARG A 5 7.878 -12.616 -13.598 1.00 24.20 C ATOM 68 O ARG A 5 7.954 -12.028 -14.680 1.00 42.25 O ATOM 69 CB ARG A 5 6.483 -14.608 -12.977 1.00 74.04 C ATOM 70 CG ARG A 5 6.348 -16.122 -12.855 1.00 52.52 C ATOM 71 CD ARG A 5 5.182 -16.508 -11.954 1.00 55.33 C ATOM 72 NE ARG A 5 5.355 -15.979 -10.602 1.00 35.24 N ATOM 73 CZ ARG A 5 4.456 -16.047 -9.657 1.00 14.03 C ATOM 74 NH1 ARG A 5 3.320 -16.633 -9.861 1.00 51.22 N ATOM 75 NH2 ARG A 5 4.718 -15.546 -8.495 1.00 25.23 N ATOM 0 H ARG A 5 8.804 -14.523 -11.713 1.00 3.04 H new ATOM 0 HA ARG A 5 7.962 -14.529 -14.555 1.00 13.12 H new ATOM 0 HB2 ARG A 5 6.340 -14.159 -11.994 1.00 74.04 H new ATOM 0 HB3 ARG A 5 5.686 -14.232 -13.618 1.00 74.04 H new ATOM 0 HG2 ARG A 5 6.204 -16.556 -13.844 1.00 52.52 H new ATOM 0 HG3 ARG A 5 7.272 -16.540 -12.455 1.00 52.52 H new ATOM 0 HD2 ARG A 5 4.252 -16.130 -12.378 1.00 55.33 H new ATOM 0 HD3 ARG A 5 5.096 -17.594 -11.913 1.00 55.33 H new ATOM 0 HE ARG A 5 6.241 -15.524 -10.381 1.00 35.24 H new ATOM 0 HH11 ARG A 5 3.117 -17.050 -10.770 1.00 51.22 H new ATOM 0 HH12 ARG A 5 2.628 -16.678 -9.113 1.00 51.22 H new ATOM 0 HH21 ARG A 5 5.620 -15.103 -8.322 1.00 25.23 H new ATOM 0 HH22 ARG A 5 4.023 -15.594 -7.750 1.00 25.23 H new ATOM 89 N MET A 6 7.820 -11.979 -12.425 1.00 54.35 N ATOM 90 CA MET A 6 7.807 -10.510 -12.321 1.00 64.20 C ATOM 91 C MET A 6 6.614 -9.875 -13.068 1.00 62.14 C ATOM 92 O MET A 6 5.684 -10.566 -13.498 1.00 31.33 O ATOM 93 CB MET A 6 9.128 -9.915 -12.839 1.00 43.03 C ATOM 94 CG MET A 6 10.325 -10.177 -11.938 1.00 45.25 C ATOM 95 SD MET A 6 11.790 -9.268 -12.473 1.00 22.43 S ATOM 96 CE MET A 6 12.919 -9.600 -11.121 1.00 64.50 C ATOM 0 H MET A 6 7.781 -12.459 -11.526 1.00 54.35 H new ATOM 0 HA MET A 6 7.694 -10.273 -11.263 1.00 64.20 H new ATOM 0 HB2 MET A 6 9.335 -10.325 -13.828 1.00 43.03 H new ATOM 0 HB3 MET A 6 9.006 -8.838 -12.959 1.00 43.03 H new ATOM 0 HG2 MET A 6 10.077 -9.894 -10.915 1.00 45.25 H new ATOM 0 HG3 MET A 6 10.545 -11.245 -11.929 1.00 45.25 H new ATOM 0 HE1 MET A 6 13.568 -8.738 -10.969 1.00 64.50 H new ATOM 0 HE2 MET A 6 12.351 -9.791 -10.211 1.00 64.50 H new ATOM 0 HE3 MET A 6 13.526 -10.473 -11.360 1.00 64.50 H new ATOM 106 N GLY A 7 6.650 -8.548 -13.206 1.00 2.43 N ATOM 107 CA GLY A 7 5.578 -7.825 -13.890 1.00 61.40 C ATOM 108 C GLY A 7 5.221 -6.492 -13.228 1.00 71.23 C ATOM 109 O GLY A 7 4.124 -5.973 -13.435 1.00 35.02 O ATOM 0 H GLY A 7 7.404 -7.957 -12.856 1.00 2.43 H new ATOM 0 HA2 GLY A 7 5.876 -7.641 -14.922 1.00 61.40 H new ATOM 0 HA3 GLY A 7 4.689 -8.455 -13.923 1.00 61.40 H new ATOM 113 N LYS A 8 6.160 -5.934 -12.443 1.00 22.40 N ATOM 114 CA LYS A 8 5.957 -4.653 -11.733 1.00 45.23 C ATOM 115 C LYS A 8 4.856 -4.739 -10.654 1.00 3.10 C ATOM 116 O LYS A 8 3.894 -5.500 -10.774 1.00 43.55 O ATOM 117 CB LYS A 8 5.634 -3.507 -12.720 1.00 63.25 C ATOM 118 CG LYS A 8 6.831 -2.997 -13.528 1.00 72.03 C ATOM 119 CD LYS A 8 7.387 -4.044 -14.493 1.00 11.25 C ATOM 120 CE LYS A 8 8.549 -3.487 -15.308 1.00 71.31 C ATOM 121 NZ LYS A 8 9.123 -4.495 -16.238 1.00 41.42 N ATOM 0 H LYS A 8 7.076 -6.353 -12.282 1.00 22.40 H new ATOM 0 HA LYS A 8 6.899 -4.436 -11.229 1.00 45.23 H new ATOM 0 HB2 LYS A 8 4.865 -3.849 -13.413 1.00 63.25 H new ATOM 0 HB3 LYS A 8 5.210 -2.673 -12.160 1.00 63.25 H new ATOM 0 HG2 LYS A 8 6.532 -2.113 -14.092 1.00 72.03 H new ATOM 0 HG3 LYS A 8 7.620 -2.687 -12.843 1.00 72.03 H new ATOM 0 HD2 LYS A 8 7.719 -4.918 -13.932 1.00 11.25 H new ATOM 0 HD3 LYS A 8 6.596 -4.378 -15.165 1.00 11.25 H new ATOM 0 HE2 LYS A 8 8.208 -2.623 -15.878 1.00 71.31 H new ATOM 0 HE3 LYS A 8 9.328 -3.135 -14.632 1.00 71.31 H new ATOM 0 HZ1 LYS A 8 9.909 -4.069 -16.769 1.00 41.42 H new ATOM 0 HZ2 LYS A 8 9.474 -5.309 -15.694 1.00 41.42 H new ATOM 0 HZ3 LYS A 8 8.388 -4.813 -16.902 1.00 41.42 H new ATOM 135 N ASP A 9 5.012 -3.956 -9.585 1.00 32.03 N ATOM 136 CA ASP A 9 3.979 -3.843 -8.553 1.00 5.55 C ATOM 137 C ASP A 9 3.294 -2.476 -8.615 1.00 45.54 C ATOM 138 O ASP A 9 3.952 -1.435 -8.708 1.00 74.04 O ATOM 139 CB ASP A 9 4.562 -4.077 -7.159 1.00 71.51 C ATOM 140 CG ASP A 9 5.153 -5.462 -7.006 1.00 61.12 C ATOM 141 OD1 ASP A 9 4.490 -6.443 -7.414 1.00 43.24 O ATOM 142 OD2 ASP A 9 6.283 -5.573 -6.482 1.00 35.52 O ATOM 0 H ASP A 9 5.843 -3.391 -9.411 1.00 32.03 H new ATOM 0 HA ASP A 9 3.235 -4.615 -8.747 1.00 5.55 H new ATOM 0 HB2 ASP A 9 5.333 -3.332 -6.961 1.00 71.51 H new ATOM 0 HB3 ASP A 9 3.781 -3.934 -6.413 1.00 71.51 H new ATOM 147 N GLU A 10 1.970 -2.493 -8.550 1.00 3.04 N ATOM 148 CA GLU A 10 1.159 -1.292 -8.706 1.00 75.12 C ATOM 149 C GLU A 10 0.203 -1.111 -7.515 1.00 14.15 C ATOM 150 O GLU A 10 -0.826 -1.778 -7.407 1.00 62.45 O ATOM 151 CB GLU A 10 0.383 -1.351 -10.042 1.00 2.44 C ATOM 152 CG GLU A 10 -0.592 -2.531 -10.190 1.00 33.20 C ATOM 153 CD GLU A 10 0.084 -3.904 -10.203 1.00 45.31 C ATOM 154 OE1 GLU A 10 0.480 -4.370 -11.290 1.00 62.21 O ATOM 155 OE2 GLU A 10 0.215 -4.530 -9.123 1.00 73.03 O ATOM 0 H GLU A 10 1.426 -3.341 -8.387 1.00 3.04 H new ATOM 0 HA GLU A 10 1.819 -0.425 -8.726 1.00 75.12 H new ATOM 0 HB2 GLU A 10 -0.177 -0.423 -10.158 1.00 2.44 H new ATOM 0 HB3 GLU A 10 1.103 -1.393 -10.859 1.00 2.44 H new ATOM 0 HG2 GLU A 10 -1.310 -2.500 -9.371 1.00 33.20 H new ATOM 0 HG3 GLU A 10 -1.157 -2.408 -11.114 1.00 33.20 H new ATOM 162 N TYR A 11 0.554 -0.210 -6.606 1.00 73.23 N ATOM 163 CA TYR A 11 -0.277 0.043 -5.429 1.00 60.34 C ATOM 164 C TYR A 11 -1.259 1.187 -5.700 1.00 44.23 C ATOM 165 O TYR A 11 -0.875 2.356 -5.725 1.00 0.45 O ATOM 166 CB TYR A 11 0.598 0.379 -4.211 1.00 14.11 C ATOM 167 CG TYR A 11 1.595 -0.709 -3.846 1.00 22.20 C ATOM 168 CD1 TYR A 11 1.217 -1.790 -3.054 1.00 33.14 C ATOM 169 CD2 TYR A 11 2.912 -0.656 -4.290 1.00 13.22 C ATOM 170 CE1 TYR A 11 2.121 -2.781 -2.720 1.00 44.31 C ATOM 171 CE2 TYR A 11 3.818 -1.644 -3.959 1.00 10.12 C ATOM 172 CZ TYR A 11 3.420 -2.703 -3.173 1.00 51.51 C ATOM 173 OH TYR A 11 4.324 -3.690 -2.842 1.00 33.54 O ATOM 0 H TYR A 11 1.401 0.355 -6.657 1.00 73.23 H new ATOM 0 HA TYR A 11 -0.844 -0.862 -5.213 1.00 60.34 H new ATOM 0 HB2 TYR A 11 1.141 1.303 -4.411 1.00 14.11 H new ATOM 0 HB3 TYR A 11 -0.048 0.568 -3.354 1.00 14.11 H new ATOM 0 HD1 TYR A 11 0.201 -1.855 -2.695 1.00 33.14 H new ATOM 0 HD2 TYR A 11 3.232 0.173 -4.905 1.00 13.22 H new ATOM 0 HE1 TYR A 11 1.810 -3.613 -2.106 1.00 44.31 H new ATOM 0 HE2 TYR A 11 4.836 -1.587 -4.315 1.00 10.12 H new ATOM 0 HH TYR A 11 3.864 -4.555 -2.803 1.00 33.54 H new ATOM 183 N TYR A 12 -2.524 0.839 -5.921 1.00 12.40 N ATOM 184 CA TYR A 12 -3.575 1.831 -6.151 1.00 65.23 C ATOM 185 C TYR A 12 -4.180 2.307 -4.828 1.00 3.52 C ATOM 186 O TYR A 12 -4.995 1.616 -4.216 1.00 71.24 O ATOM 187 CB TYR A 12 -4.665 1.256 -7.066 1.00 1.04 C ATOM 188 CG TYR A 12 -4.199 1.031 -8.490 1.00 21.21 C ATOM 189 CD1 TYR A 12 -3.824 2.107 -9.285 1.00 23.12 C ATOM 190 CD2 TYR A 12 -4.139 -0.244 -9.044 1.00 23.33 C ATOM 191 CE1 TYR A 12 -3.405 1.922 -10.586 1.00 65.20 C ATOM 192 CE2 TYR A 12 -3.717 -0.437 -10.347 1.00 21.10 C ATOM 193 CZ TYR A 12 -3.353 0.650 -11.112 1.00 33.21 C ATOM 194 OH TYR A 12 -2.937 0.473 -12.412 1.00 24.23 O ATOM 0 H TYR A 12 -2.849 -0.128 -5.946 1.00 12.40 H new ATOM 0 HA TYR A 12 -3.125 2.692 -6.645 1.00 65.23 H new ATOM 0 HB2 TYR A 12 -5.014 0.310 -6.652 1.00 1.04 H new ATOM 0 HB3 TYR A 12 -5.518 1.935 -7.074 1.00 1.04 H new ATOM 0 HD1 TYR A 12 -3.861 3.106 -8.877 1.00 23.12 H new ATOM 0 HD2 TYR A 12 -4.427 -1.097 -8.447 1.00 23.33 H new ATOM 0 HE1 TYR A 12 -3.119 2.771 -11.190 1.00 65.20 H new ATOM 0 HE2 TYR A 12 -3.673 -1.433 -10.762 1.00 21.10 H new ATOM 0 HH TYR A 12 -2.954 -0.481 -12.634 1.00 24.23 H new ATOM 204 N VAL A 13 -3.764 3.489 -4.388 1.00 24.53 N ATOM 205 CA VAL A 13 -4.207 4.042 -3.105 1.00 74.32 C ATOM 206 C VAL A 13 -4.849 5.425 -3.269 1.00 30.23 C ATOM 207 O VAL A 13 -4.842 6.000 -4.353 1.00 10.10 O ATOM 208 CB VAL A 13 -3.019 4.160 -2.120 1.00 43.21 C ATOM 209 CG1 VAL A 13 -2.437 2.786 -1.814 1.00 20.22 C ATOM 210 CG2 VAL A 13 -1.941 5.087 -2.679 1.00 2.40 C ATOM 0 H VAL A 13 -3.117 4.088 -4.901 1.00 24.53 H new ATOM 0 HA VAL A 13 -4.953 3.354 -2.709 1.00 74.32 H new ATOM 0 HB VAL A 13 -3.390 4.591 -1.190 1.00 43.21 H new ATOM 0 HG11 VAL A 13 -1.603 2.890 -1.120 1.00 20.22 H new ATOM 0 HG12 VAL A 13 -3.206 2.157 -1.365 1.00 20.22 H new ATOM 0 HG13 VAL A 13 -2.085 2.326 -2.737 1.00 20.22 H new ATOM 0 HG21 VAL A 13 -1.116 5.155 -1.970 1.00 2.40 H new ATOM 0 HG22 VAL A 13 -1.574 4.690 -3.625 1.00 2.40 H new ATOM 0 HG23 VAL A 13 -2.363 6.079 -2.841 1.00 2.40 H new ATOM 220 N GLN A 14 -5.396 5.954 -2.180 1.00 71.24 N ATOM 221 CA GLN A 14 -5.960 7.308 -2.176 1.00 71.02 C ATOM 222 C GLN A 14 -5.276 8.178 -1.112 1.00 71.21 C ATOM 223 O GLN A 14 -4.519 7.679 -0.276 1.00 64.25 O ATOM 224 CB GLN A 14 -7.477 7.262 -1.933 1.00 1.51 C ATOM 225 CG GLN A 14 -7.880 6.565 -0.638 1.00 52.24 C ATOM 226 CD GLN A 14 -9.379 6.602 -0.380 1.00 25.04 C ATOM 227 OE1 GLN A 14 -10.037 7.668 -0.797 1.00 74.01 O flip ATOM 228 NE2 GLN A 14 -9.943 5.682 0.202 1.00 34.33 N flip ATOM 0 H GLN A 14 -5.463 5.469 -1.285 1.00 71.24 H new ATOM 0 HA GLN A 14 -5.779 7.753 -3.154 1.00 71.02 H new ATOM 0 HB2 GLN A 14 -7.863 8.281 -1.920 1.00 1.51 H new ATOM 0 HB3 GLN A 14 -7.953 6.752 -2.771 1.00 1.51 H new ATOM 0 HG2 GLN A 14 -7.549 5.527 -0.673 1.00 52.24 H new ATOM 0 HG3 GLN A 14 -7.362 7.036 0.197 1.00 52.24 H new ATOM 0 HE21 GLN A 14 -9.408 4.871 0.513 1.00 34.33 H new ATOM 0 HE22 GLN A 14 -10.947 5.728 0.376 1.00 34.33 H new ATOM 237 N ILE A 15 -5.550 9.475 -1.142 1.00 53.32 N ATOM 238 CA ILE A 15 -4.921 10.419 -0.214 1.00 13.22 C ATOM 239 C ILE A 15 -5.435 10.242 1.227 1.00 72.44 C ATOM 240 O ILE A 15 -6.443 10.834 1.622 1.00 72.11 O ATOM 241 CB ILE A 15 -5.144 11.881 -0.675 1.00 40.52 C ATOM 242 CG1 ILE A 15 -4.622 12.071 -2.110 1.00 41.32 C ATOM 243 CG2 ILE A 15 -4.465 12.862 0.280 1.00 53.32 C ATOM 244 CD1 ILE A 15 -3.154 11.735 -2.280 1.00 62.42 C ATOM 0 H ILE A 15 -6.204 9.903 -1.798 1.00 53.32 H new ATOM 0 HA ILE A 15 -3.853 10.201 -0.220 1.00 13.22 H new ATOM 0 HB ILE A 15 -6.214 12.087 -0.663 1.00 40.52 H new ATOM 0 HG12 ILE A 15 -5.208 11.447 -2.785 1.00 41.32 H new ATOM 0 HG13 ILE A 15 -4.785 13.106 -2.411 1.00 41.32 H new ATOM 0 HG21 ILE A 15 -4.635 13.882 -0.064 1.00 53.32 H new ATOM 0 HG22 ILE A 15 -4.881 12.743 1.281 1.00 53.32 H new ATOM 0 HG23 ILE A 15 -3.394 12.662 0.306 1.00 53.32 H new ATOM 0 HD11 ILE A 15 -2.862 11.894 -3.318 1.00 62.42 H new ATOM 0 HD12 ILE A 15 -2.557 12.377 -1.632 1.00 62.42 H new ATOM 0 HD13 ILE A 15 -2.986 10.692 -2.012 1.00 62.42 H new ATOM 256 N THR A 16 -4.750 9.398 1.998 1.00 12.22 N ATOM 257 CA THR A 16 -5.086 9.183 3.412 1.00 25.22 C ATOM 258 C THR A 16 -4.514 10.307 4.288 1.00 43.22 C ATOM 259 O THR A 16 -5.263 11.101 4.864 1.00 32.42 O ATOM 260 CB THR A 16 -4.560 7.819 3.923 1.00 32.24 C ATOM 261 OG1 THR A 16 -3.127 7.774 3.834 1.00 30.14 O ATOM 262 CG2 THR A 16 -5.151 6.669 3.114 1.00 13.41 C ATOM 0 H THR A 16 -3.956 8.849 1.669 1.00 12.22 H new ATOM 0 HA THR A 16 -6.174 9.186 3.484 1.00 25.22 H new ATOM 0 HB THR A 16 -4.865 7.711 4.964 1.00 32.24 H new ATOM 0 HG1 THR A 16 -2.806 6.908 4.161 1.00 30.14 H new ATOM 0 HG21 THR A 16 -4.766 5.722 3.493 1.00 13.41 H new ATOM 0 HG22 THR A 16 -6.237 6.681 3.204 1.00 13.41 H new ATOM 0 HG23 THR A 16 -4.873 6.781 2.066 1.00 13.41 H new ATOM 270 N VAL A 17 -3.184 10.368 4.387 1.00 34.42 N ATOM 271 CA VAL A 17 -2.502 11.444 5.115 1.00 70.01 C ATOM 272 C VAL A 17 -2.052 12.567 4.161 1.00 74.22 C ATOM 273 O VAL A 17 -1.279 12.341 3.230 1.00 51.31 O ATOM 274 CB VAL A 17 -1.273 10.912 5.910 1.00 25.23 C ATOM 275 CG1 VAL A 17 -1.715 9.973 7.033 1.00 55.54 C ATOM 276 CG2 VAL A 17 -0.276 10.207 4.988 1.00 62.12 C ATOM 0 H VAL A 17 -2.554 9.682 3.971 1.00 34.42 H new ATOM 0 HA VAL A 17 -3.224 11.849 5.824 1.00 70.01 H new ATOM 0 HB VAL A 17 -0.772 11.772 6.354 1.00 25.23 H new ATOM 0 HG11 VAL A 17 -0.839 9.615 7.574 1.00 55.54 H new ATOM 0 HG12 VAL A 17 -2.370 10.510 7.719 1.00 55.54 H new ATOM 0 HG13 VAL A 17 -2.251 9.124 6.608 1.00 55.54 H new ATOM 0 HG21 VAL A 17 0.570 9.848 5.574 1.00 62.12 H new ATOM 0 HG22 VAL A 17 -0.765 9.363 4.501 1.00 62.12 H new ATOM 0 HG23 VAL A 17 0.078 10.907 4.231 1.00 62.12 H new ATOM 286 N ASP A 18 -2.555 13.778 4.386 1.00 10.23 N ATOM 287 CA ASP A 18 -2.198 14.933 3.553 1.00 1.50 C ATOM 288 C ASP A 18 -1.779 16.144 4.402 1.00 63.14 C ATOM 289 O ASP A 18 -2.085 16.223 5.594 1.00 11.03 O ATOM 290 CB ASP A 18 -3.369 15.303 2.631 1.00 33.42 C ATOM 291 CG ASP A 18 -4.641 15.658 3.391 1.00 32.42 C ATOM 292 OD1 ASP A 18 -5.177 14.791 4.113 1.00 71.01 O ATOM 293 OD2 ASP A 18 -5.133 16.796 3.246 1.00 43.32 O ATOM 0 H ASP A 18 -3.212 13.989 5.137 1.00 10.23 H new ATOM 0 HA ASP A 18 -1.339 14.649 2.945 1.00 1.50 H new ATOM 0 HB2 ASP A 18 -3.079 16.148 2.006 1.00 33.42 H new ATOM 0 HB3 ASP A 18 -3.574 14.468 1.962 1.00 33.42 H new ATOM 298 N GLY A 19 -1.071 17.082 3.774 1.00 4.43 N ATOM 299 CA GLY A 19 -0.651 18.301 4.456 1.00 22.23 C ATOM 300 C GLY A 19 0.459 18.101 5.493 1.00 14.34 C ATOM 301 O GLY A 19 0.776 19.025 6.242 1.00 44.15 O ATOM 0 H GLY A 19 -0.778 17.020 2.799 1.00 4.43 H new ATOM 0 HA2 GLY A 19 -0.309 19.019 3.711 1.00 22.23 H new ATOM 0 HA3 GLY A 19 -1.517 18.742 4.950 1.00 22.23 H new ATOM 305 N LYS A 20 1.045 16.904 5.551 1.00 14.51 N ATOM 306 CA LYS A 20 2.153 16.645 6.478 1.00 63.44 C ATOM 307 C LYS A 20 3.417 17.396 6.027 1.00 43.43 C ATOM 308 O LYS A 20 4.206 16.897 5.223 1.00 51.20 O ATOM 309 CB LYS A 20 2.428 15.135 6.598 1.00 0.20 C ATOM 310 CG LYS A 20 3.469 14.785 7.663 1.00 10.25 C ATOM 311 CD LYS A 20 3.669 13.275 7.794 1.00 62.24 C ATOM 312 CE LYS A 20 4.630 12.916 8.927 1.00 25.14 C ATOM 313 NZ LYS A 20 6.004 13.439 8.692 1.00 22.11 N ATOM 0 H LYS A 20 0.777 16.106 4.975 1.00 14.51 H new ATOM 0 HA LYS A 20 1.867 17.013 7.463 1.00 63.44 H new ATOM 0 HB2 LYS A 20 1.495 14.622 6.831 1.00 0.20 H new ATOM 0 HB3 LYS A 20 2.767 14.758 5.633 1.00 0.20 H new ATOM 0 HG2 LYS A 20 4.419 15.256 7.410 1.00 10.25 H new ATOM 0 HG3 LYS A 20 3.156 15.194 8.624 1.00 10.25 H new ATOM 0 HD2 LYS A 20 2.706 12.797 7.972 1.00 62.24 H new ATOM 0 HD3 LYS A 20 4.053 12.878 6.854 1.00 62.24 H new ATOM 0 HE2 LYS A 20 4.247 13.317 9.865 1.00 25.14 H new ATOM 0 HE3 LYS A 20 4.670 11.832 9.036 1.00 25.14 H new ATOM 0 HZ1 LYS A 20 6.645 13.072 9.424 1.00 22.11 H new ATOM 0 HZ2 LYS A 20 6.336 13.133 7.755 1.00 22.11 H new ATOM 0 HZ3 LYS A 20 5.992 14.478 8.732 1.00 22.11 H new ATOM 327 N GLU A 21 3.581 18.613 6.532 1.00 34.12 N ATOM 328 CA GLU A 21 4.685 19.486 6.133 1.00 13.42 C ATOM 329 C GLU A 21 5.994 19.100 6.843 1.00 34.02 C ATOM 330 O GLU A 21 6.234 19.500 7.986 1.00 55.32 O ATOM 331 CB GLU A 21 4.326 20.947 6.447 1.00 35.23 C ATOM 332 CG GLU A 21 3.019 21.415 5.805 1.00 65.32 C ATOM 333 CD GLU A 21 2.524 22.741 6.370 1.00 53.44 C ATOM 334 OE1 GLU A 21 1.969 22.742 7.488 1.00 63.12 O ATOM 335 OE2 GLU A 21 2.684 23.786 5.707 1.00 65.12 O ATOM 0 H GLU A 21 2.957 19.024 7.227 1.00 34.12 H new ATOM 0 HA GLU A 21 4.842 19.368 5.061 1.00 13.42 H new ATOM 0 HB2 GLU A 21 4.253 21.069 7.528 1.00 35.23 H new ATOM 0 HB3 GLU A 21 5.137 21.591 6.108 1.00 35.23 H new ATOM 0 HG2 GLU A 21 3.164 21.515 4.729 1.00 65.32 H new ATOM 0 HG3 GLU A 21 2.253 20.654 5.954 1.00 65.32 H new ATOM 342 N VAL A 22 6.832 18.311 6.170 1.00 20.21 N ATOM 343 CA VAL A 22 8.139 17.936 6.716 1.00 73.23 C ATOM 344 C VAL A 22 9.127 19.112 6.625 1.00 32.32 C ATOM 345 O VAL A 22 9.961 19.203 5.721 1.00 72.12 O ATOM 346 CB VAL A 22 8.727 16.667 6.034 1.00 71.10 C ATOM 347 CG1 VAL A 22 7.909 15.434 6.409 1.00 74.43 C ATOM 348 CG2 VAL A 22 8.785 16.819 4.515 1.00 20.41 C ATOM 0 H VAL A 22 6.631 17.920 5.250 1.00 20.21 H new ATOM 0 HA VAL A 22 7.984 17.689 7.766 1.00 73.23 H new ATOM 0 HB VAL A 22 9.748 16.542 6.396 1.00 71.10 H new ATOM 0 HG11 VAL A 22 8.333 14.555 5.924 1.00 74.43 H new ATOM 0 HG12 VAL A 22 7.931 15.298 7.490 1.00 74.43 H new ATOM 0 HG13 VAL A 22 6.878 15.568 6.081 1.00 74.43 H new ATOM 0 HG21 VAL A 22 9.201 15.913 4.074 1.00 20.41 H new ATOM 0 HG22 VAL A 22 7.780 16.983 4.127 1.00 20.41 H new ATOM 0 HG23 VAL A 22 9.416 17.670 4.258 1.00 20.41 H new ATOM 358 N HIS A 23 8.981 20.037 7.563 1.00 2.44 N ATOM 359 CA HIS A 23 9.814 21.246 7.629 1.00 61.13 C ATOM 360 C HIS A 23 11.042 21.027 8.534 1.00 70.52 C ATOM 361 O HIS A 23 11.791 21.958 8.827 1.00 34.32 O ATOM 362 CB HIS A 23 8.939 22.409 8.139 1.00 4.21 C ATOM 363 CG HIS A 23 9.612 23.751 8.218 1.00 34.24 C ATOM 364 ND1 HIS A 23 9.696 24.623 7.152 1.00 24.33 N ATOM 365 CD2 HIS A 23 10.182 24.394 9.267 1.00 14.31 C ATOM 366 CE1 HIS A 23 10.282 25.736 7.542 1.00 44.30 C ATOM 367 NE2 HIS A 23 10.587 25.625 8.819 1.00 54.34 N ATOM 0 H HIS A 23 8.283 19.977 8.304 1.00 2.44 H new ATOM 0 HA HIS A 23 10.197 21.485 6.637 1.00 61.13 H new ATOM 0 HB2 HIS A 23 8.070 22.498 7.487 1.00 4.21 H new ATOM 0 HB3 HIS A 23 8.568 22.151 9.131 1.00 4.21 H new ATOM 0 HD1 HIS A 23 9.357 24.435 6.209 1.00 24.33 H new ATOM 0 HD2 HIS A 23 10.296 24.008 10.269 1.00 14.31 H new ATOM 0 HE1 HIS A 23 10.480 26.596 6.919 1.00 44.30 H new ATOM 376 N SER A 24 11.263 19.779 8.935 1.00 23.03 N ATOM 377 CA SER A 24 12.325 19.434 9.888 1.00 41.41 C ATOM 378 C SER A 24 13.639 19.045 9.186 1.00 33.44 C ATOM 379 O SER A 24 14.062 17.885 9.228 1.00 15.41 O ATOM 380 CB SER A 24 11.855 18.287 10.788 1.00 3.52 C ATOM 381 OG SER A 24 12.840 17.949 11.756 1.00 15.21 O ATOM 0 H SER A 24 10.718 18.979 8.614 1.00 23.03 H new ATOM 0 HA SER A 24 12.530 20.321 10.487 1.00 41.41 H new ATOM 0 HB2 SER A 24 10.931 18.573 11.291 1.00 3.52 H new ATOM 0 HB3 SER A 24 11.628 17.413 10.177 1.00 3.52 H new ATOM 0 HG SER A 24 12.510 17.215 12.316 1.00 15.21 H new ATOM 387 N LYS A 25 14.264 20.017 8.526 1.00 64.20 N ATOM 388 CA LYS A 25 15.594 19.829 7.910 1.00 60.12 C ATOM 389 C LYS A 25 16.185 21.174 7.431 1.00 52.01 C ATOM 390 O LYS A 25 17.175 21.209 6.699 1.00 31.13 O ATOM 391 CB LYS A 25 15.508 18.838 6.729 1.00 33.11 C ATOM 392 CG LYS A 25 16.869 18.435 6.157 1.00 61.25 C ATOM 393 CD LYS A 25 16.741 17.491 4.965 1.00 51.13 C ATOM 394 CE LYS A 25 18.102 17.183 4.349 1.00 42.42 C ATOM 395 NZ LYS A 25 17.999 16.233 3.207 1.00 3.30 N ATOM 0 H LYS A 25 13.876 20.952 8.398 1.00 64.20 H new ATOM 0 HA LYS A 25 16.257 19.417 8.671 1.00 60.12 H new ATOM 0 HB2 LYS A 25 14.983 17.941 7.058 1.00 33.11 H new ATOM 0 HB3 LYS A 25 14.909 19.285 5.935 1.00 33.11 H new ATOM 0 HG2 LYS A 25 17.412 19.330 5.852 1.00 61.25 H new ATOM 0 HG3 LYS A 25 17.460 17.954 6.936 1.00 61.25 H new ATOM 0 HD2 LYS A 25 16.266 16.563 5.283 1.00 51.13 H new ATOM 0 HD3 LYS A 25 16.092 17.939 4.212 1.00 51.13 H new ATOM 0 HE2 LYS A 25 18.563 18.110 4.008 1.00 42.42 H new ATOM 0 HE3 LYS A 25 18.758 16.763 5.112 1.00 42.42 H new ATOM 0 HZ1 LYS A 25 18.947 16.052 2.819 1.00 3.30 H new ATOM 0 HZ2 LYS A 25 17.583 15.338 3.536 1.00 3.30 H new ATOM 0 HZ3 LYS A 25 17.395 16.644 2.467 1.00 3.30 H new ATOM 409 N ALA A 26 15.600 22.278 7.885 1.00 1.14 N ATOM 410 CA ALA A 26 15.959 23.613 7.396 1.00 20.34 C ATOM 411 C ALA A 26 17.406 23.997 7.736 1.00 23.41 C ATOM 412 O ALA A 26 18.216 24.236 6.839 1.00 24.11 O ATOM 413 CB ALA A 26 14.998 24.640 7.966 1.00 60.51 C ATOM 0 H ALA A 26 14.869 22.278 8.596 1.00 1.14 H new ATOM 0 HA ALA A 26 15.884 23.594 6.309 1.00 20.34 H new ATOM 0 HB1 ALA A 26 15.267 25.631 7.601 1.00 60.51 H new ATOM 0 HB2 ALA A 26 13.982 24.401 7.652 1.00 60.51 H new ATOM 0 HB3 ALA A 26 15.054 24.626 9.054 1.00 60.51 H new ATOM 419 N ASP A 27 17.711 24.077 9.035 1.00 0.22 N ATOM 420 CA ASP A 27 19.070 24.379 9.510 1.00 14.22 C ATOM 421 C ASP A 27 19.558 25.770 9.037 1.00 3.44 C ATOM 422 O ASP A 27 20.058 25.922 7.922 1.00 41.20 O ATOM 423 CB ASP A 27 20.035 23.269 9.056 1.00 35.53 C ATOM 424 CG ASP A 27 21.457 23.475 9.546 1.00 44.22 C ATOM 425 OD1 ASP A 27 21.788 23.011 10.656 1.00 4.13 O ATOM 426 OD2 ASP A 27 22.257 24.096 8.818 1.00 25.31 O ATOM 0 H ASP A 27 17.032 23.936 9.783 1.00 0.22 H new ATOM 0 HA ASP A 27 19.048 24.412 10.599 1.00 14.22 H new ATOM 0 HB2 ASP A 27 19.669 22.308 9.417 1.00 35.53 H new ATOM 0 HB3 ASP A 27 20.036 23.221 7.967 1.00 35.53 H new ATOM 431 N ASN A 28 19.377 26.780 9.894 1.00 22.24 N ATOM 432 CA ASN A 28 19.868 28.149 9.638 1.00 5.44 C ATOM 433 C ASN A 28 19.308 28.749 8.330 1.00 64.03 C ATOM 434 O ASN A 28 19.949 29.596 7.698 1.00 63.31 O ATOM 435 CB ASN A 28 21.405 28.159 9.607 1.00 25.25 C ATOM 436 CG ASN A 28 22.011 27.566 10.869 1.00 0.33 C ATOM 437 OD1 ASN A 28 22.248 28.260 11.851 1.00 73.03 O ATOM 438 ND2 ASN A 28 22.275 26.276 10.851 1.00 54.41 N ATOM 0 H ASN A 28 18.888 26.678 10.783 1.00 22.24 H new ATOM 0 HA ASN A 28 19.509 28.775 10.455 1.00 5.44 H new ATOM 0 HB2 ASN A 28 21.752 27.596 8.741 1.00 25.25 H new ATOM 0 HB3 ASN A 28 21.757 29.183 9.484 1.00 25.25 H new ATOM 0 HD21 ASN A 28 22.688 25.828 11.669 1.00 54.41 H new ATOM 0 HD22 ASN A 28 22.066 25.724 10.019 1.00 54.41 H new ATOM 445 N GLY A 29 18.098 28.340 7.946 1.00 74.14 N ATOM 446 CA GLY A 29 17.512 28.818 6.694 1.00 30.53 C ATOM 447 C GLY A 29 16.158 28.186 6.379 1.00 42.25 C ATOM 448 O GLY A 29 15.993 27.521 5.349 1.00 12.24 O ATOM 0 H GLY A 29 17.514 27.691 8.473 1.00 74.14 H new ATOM 0 HA2 GLY A 29 17.396 29.901 6.745 1.00 30.53 H new ATOM 0 HA3 GLY A 29 18.201 28.610 5.876 1.00 30.53 H new ATOM 452 N GLN A 30 15.181 28.392 7.261 1.00 73.11 N ATOM 453 CA GLN A 30 13.861 27.768 7.112 1.00 4.53 C ATOM 454 C GLN A 30 12.888 28.623 6.281 1.00 61.21 C ATOM 455 O GLN A 30 12.112 29.416 6.817 1.00 44.40 O ATOM 456 CB GLN A 30 13.259 27.445 8.489 1.00 22.15 C ATOM 457 CG GLN A 30 13.244 28.611 9.472 1.00 25.02 C ATOM 458 CD GLN A 30 12.638 28.228 10.809 1.00 55.24 C ATOM 459 OE1 GLN A 30 13.109 28.843 11.872 1.00 3.43 O flip ATOM 460 NE2 GLN A 30 11.754 27.379 10.883 1.00 5.52 N flip ATOM 0 H GLN A 30 15.275 28.985 8.086 1.00 73.11 H new ATOM 0 HA GLN A 30 14.011 26.840 6.561 1.00 4.53 H new ATOM 0 HB2 GLN A 30 12.237 27.093 8.349 1.00 22.15 H new ATOM 0 HB3 GLN A 30 13.821 26.623 8.931 1.00 22.15 H new ATOM 0 HG2 GLN A 30 14.263 28.967 9.626 1.00 25.02 H new ATOM 0 HG3 GLN A 30 12.679 29.438 9.043 1.00 25.02 H new ATOM 0 HE21 GLN A 30 11.413 26.923 10.037 1.00 5.52 H new ATOM 0 HE22 GLN A 30 11.361 27.130 11.791 1.00 5.52 H new ATOM 469 N LYS A 31 12.933 28.449 4.962 1.00 13.45 N ATOM 470 CA LYS A 31 12.023 29.155 4.050 1.00 45.24 C ATOM 471 C LYS A 31 11.417 28.202 3.007 1.00 13.04 C ATOM 472 O LYS A 31 10.966 28.631 1.945 1.00 52.54 O ATOM 473 CB LYS A 31 12.766 30.300 3.351 1.00 33.12 C ATOM 474 CG LYS A 31 13.284 31.372 4.306 1.00 74.12 C ATOM 475 CD LYS A 31 13.906 32.543 3.554 1.00 12.42 C ATOM 476 CE LYS A 31 14.394 33.634 4.499 1.00 51.45 C ATOM 477 NZ LYS A 31 14.870 34.833 3.758 1.00 12.41 N ATOM 0 H LYS A 31 13.591 27.824 4.496 1.00 13.45 H new ATOM 0 HA LYS A 31 11.204 29.563 4.642 1.00 45.24 H new ATOM 0 HB2 LYS A 31 13.606 29.888 2.792 1.00 33.12 H new ATOM 0 HB3 LYS A 31 12.098 30.765 2.626 1.00 33.12 H new ATOM 0 HG2 LYS A 31 12.464 31.733 4.928 1.00 74.12 H new ATOM 0 HG3 LYS A 31 14.024 30.935 4.976 1.00 74.12 H new ATOM 0 HD2 LYS A 31 14.741 32.185 2.952 1.00 12.42 H new ATOM 0 HD3 LYS A 31 13.173 32.962 2.865 1.00 12.42 H new ATOM 0 HE2 LYS A 31 13.586 33.920 5.173 1.00 51.45 H new ATOM 0 HE3 LYS A 31 15.202 33.244 5.118 1.00 51.45 H new ATOM 0 HZ1 LYS A 31 15.194 35.553 4.435 1.00 12.41 H new ATOM 0 HZ2 LYS A 31 15.658 34.565 3.134 1.00 12.41 H new ATOM 0 HZ3 LYS A 31 14.092 35.220 3.187 1.00 12.41 H new ATOM 491 N TYR A 32 11.392 26.907 3.320 1.00 31.31 N ATOM 492 CA TYR A 32 10.828 25.908 2.406 1.00 55.54 C ATOM 493 C TYR A 32 10.070 24.808 3.166 1.00 14.22 C ATOM 494 O TYR A 32 10.282 24.596 4.366 1.00 21.14 O ATOM 495 CB TYR A 32 11.935 25.283 1.537 1.00 60.11 C ATOM 496 CG TYR A 32 12.946 24.444 2.307 1.00 44.45 C ATOM 497 CD1 TYR A 32 14.010 25.037 2.982 1.00 4.24 C ATOM 498 CD2 TYR A 32 12.836 23.054 2.353 1.00 54.41 C ATOM 499 CE1 TYR A 32 14.931 24.273 3.677 1.00 72.02 C ATOM 500 CE2 TYR A 32 13.753 22.287 3.044 1.00 45.03 C ATOM 501 CZ TYR A 32 14.797 22.899 3.703 1.00 31.32 C ATOM 502 OH TYR A 32 15.711 22.132 4.388 1.00 73.05 O ATOM 0 H TYR A 32 11.753 26.524 4.194 1.00 31.31 H new ATOM 0 HA TYR A 32 10.116 26.422 1.760 1.00 55.54 H new ATOM 0 HB2 TYR A 32 11.471 24.659 0.773 1.00 60.11 H new ATOM 0 HB3 TYR A 32 12.465 26.081 1.017 1.00 60.11 H new ATOM 0 HD1 TYR A 32 14.118 26.111 2.963 1.00 4.24 H new ATOM 0 HD2 TYR A 32 12.019 22.569 1.839 1.00 54.41 H new ATOM 0 HE1 TYR A 32 15.750 24.749 4.196 1.00 72.02 H new ATOM 0 HE2 TYR A 32 13.652 21.212 3.068 1.00 45.03 H new ATOM 0 HH TYR A 32 15.470 21.186 4.307 1.00 73.05 H new ATOM 512 N LYS A 33 9.165 24.130 2.459 1.00 44.24 N ATOM 513 CA LYS A 33 8.404 23.005 3.018 1.00 32.54 C ATOM 514 C LYS A 33 8.229 21.873 1.992 1.00 3.23 C ATOM 515 O LYS A 33 8.221 22.107 0.782 1.00 74.22 O ATOM 516 CB LYS A 33 7.011 23.466 3.472 1.00 24.51 C ATOM 517 CG LYS A 33 7.009 24.430 4.652 1.00 54.51 C ATOM 518 CD LYS A 33 5.583 24.816 5.027 1.00 55.04 C ATOM 519 CE LYS A 33 5.518 25.728 6.244 1.00 54.51 C ATOM 520 NZ LYS A 33 4.112 26.059 6.596 1.00 41.31 N ATOM 0 H LYS A 33 8.937 24.341 1.487 1.00 44.24 H new ATOM 0 HA LYS A 33 8.973 22.632 3.869 1.00 32.54 H new ATOM 0 HB2 LYS A 33 6.510 23.944 2.630 1.00 24.51 H new ATOM 0 HB3 LYS A 33 6.422 22.588 3.737 1.00 24.51 H new ATOM 0 HG2 LYS A 33 7.503 23.968 5.507 1.00 54.51 H new ATOM 0 HG3 LYS A 33 7.579 25.324 4.399 1.00 54.51 H new ATOM 0 HD2 LYS A 33 5.112 25.315 4.180 1.00 55.04 H new ATOM 0 HD3 LYS A 33 5.007 23.912 5.225 1.00 55.04 H new ATOM 0 HE2 LYS A 33 6.003 25.243 7.091 1.00 54.51 H new ATOM 0 HE3 LYS A 33 6.071 26.646 6.043 1.00 54.51 H new ATOM 0 HZ1 LYS A 33 4.035 26.199 7.624 1.00 41.31 H new ATOM 0 HZ2 LYS A 33 3.827 26.931 6.105 1.00 41.31 H new ATOM 0 HZ3 LYS A 33 3.489 25.279 6.306 1.00 41.31 H new ATOM 534 N ASP A 34 8.084 20.650 2.495 1.00 14.03 N ATOM 535 CA ASP A 34 7.761 19.483 1.667 1.00 22.42 C ATOM 536 C ASP A 34 6.599 18.696 2.293 1.00 33.23 C ATOM 537 O ASP A 34 6.423 18.708 3.510 1.00 62.11 O ATOM 538 CB ASP A 34 8.988 18.572 1.517 1.00 73.10 C ATOM 539 CG ASP A 34 10.108 19.217 0.721 1.00 74.44 C ATOM 540 OD1 ASP A 34 10.961 19.902 1.322 1.00 21.31 O ATOM 541 OD2 ASP A 34 10.145 19.034 -0.513 1.00 1.43 O ATOM 0 H ASP A 34 8.186 20.436 3.487 1.00 14.03 H new ATOM 0 HA ASP A 34 7.464 19.833 0.679 1.00 22.42 H new ATOM 0 HB2 ASP A 34 9.359 18.305 2.506 1.00 73.10 H new ATOM 0 HB3 ASP A 34 8.689 17.645 1.028 1.00 73.10 H new ATOM 546 N TYR A 35 5.808 18.018 1.467 1.00 50.52 N ATOM 547 CA TYR A 35 4.664 17.242 1.967 1.00 60.50 C ATOM 548 C TYR A 35 4.964 15.736 1.962 1.00 45.14 C ATOM 549 O TYR A 35 5.412 15.192 0.959 1.00 32.54 O ATOM 550 CB TYR A 35 3.417 17.532 1.122 1.00 13.02 C ATOM 551 CG TYR A 35 2.995 18.990 1.139 1.00 62.03 C ATOM 552 CD1 TYR A 35 2.326 19.528 2.237 1.00 15.01 C ATOM 553 CD2 TYR A 35 3.263 19.830 0.062 1.00 40.41 C ATOM 554 CE1 TYR A 35 1.940 20.855 2.256 1.00 64.23 C ATOM 555 CE2 TYR A 35 2.877 21.156 0.077 1.00 75.11 C ATOM 556 CZ TYR A 35 2.217 21.664 1.175 1.00 11.22 C ATOM 557 OH TYR A 35 1.826 22.986 1.190 1.00 11.13 O ATOM 0 H TYR A 35 5.931 17.986 0.455 1.00 50.52 H new ATOM 0 HA TYR A 35 4.479 17.546 2.997 1.00 60.50 H new ATOM 0 HB2 TYR A 35 3.608 17.230 0.092 1.00 13.02 H new ATOM 0 HB3 TYR A 35 2.592 16.920 1.486 1.00 13.02 H new ATOM 0 HD1 TYR A 35 2.106 18.898 3.086 1.00 15.01 H new ATOM 0 HD2 TYR A 35 3.782 19.438 -0.800 1.00 40.41 H new ATOM 0 HE1 TYR A 35 1.423 21.257 3.115 1.00 64.23 H new ATOM 0 HE2 TYR A 35 3.092 21.793 -0.769 1.00 75.11 H new ATOM 0 HH TYR A 35 2.098 23.417 0.353 1.00 11.13 H new ATOM 567 N GLU A 36 4.721 15.064 3.086 1.00 14.40 N ATOM 568 CA GLU A 36 4.960 13.617 3.181 1.00 31.24 C ATOM 569 C GLU A 36 3.655 12.825 3.035 1.00 52.25 C ATOM 570 O GLU A 36 2.678 13.079 3.743 1.00 74.31 O ATOM 571 CB GLU A 36 5.622 13.260 4.516 1.00 11.44 C ATOM 572 CG GLU A 36 5.992 11.782 4.638 1.00 54.13 C ATOM 573 CD GLU A 36 6.454 11.403 6.035 1.00 55.30 C ATOM 574 OE1 GLU A 36 7.279 12.137 6.612 1.00 10.55 O ATOM 575 OE2 GLU A 36 5.977 10.381 6.574 1.00 44.41 O ATOM 0 H GLU A 36 4.361 15.490 3.940 1.00 14.40 H new ATOM 0 HA GLU A 36 5.628 13.347 2.363 1.00 31.24 H new ATOM 0 HB2 GLU A 36 6.522 13.863 4.639 1.00 11.44 H new ATOM 0 HB3 GLU A 36 4.947 13.526 5.330 1.00 11.44 H new ATOM 0 HG2 GLU A 36 5.129 11.173 4.368 1.00 54.13 H new ATOM 0 HG3 GLU A 36 6.782 11.550 3.924 1.00 54.13 H new ATOM 582 N TYR A 37 3.648 11.862 2.121 1.00 15.11 N ATOM 583 CA TYR A 37 2.496 10.978 1.934 1.00 44.35 C ATOM 584 C TYR A 37 2.863 9.517 2.221 1.00 4.03 C ATOM 585 O TYR A 37 3.394 8.815 1.360 1.00 51.01 O ATOM 586 CB TYR A 37 1.935 11.115 0.510 1.00 64.13 C ATOM 587 CG TYR A 37 1.204 12.424 0.273 1.00 13.41 C ATOM 588 CD1 TYR A 37 1.901 13.604 0.027 1.00 40.12 C ATOM 589 CD2 TYR A 37 -0.186 12.479 0.303 1.00 72.05 C ATOM 590 CE1 TYR A 37 1.232 14.797 -0.179 1.00 50.13 C ATOM 591 CE2 TYR A 37 -0.859 13.666 0.098 1.00 31.25 C ATOM 592 CZ TYR A 37 -0.148 14.819 -0.141 1.00 22.31 C ATOM 593 OH TYR A 37 -0.819 16.002 -0.349 1.00 24.44 O ATOM 0 H TYR A 37 4.429 11.670 1.494 1.00 15.11 H new ATOM 0 HA TYR A 37 1.727 11.280 2.645 1.00 44.35 H new ATOM 0 HB2 TYR A 37 2.754 11.030 -0.205 1.00 64.13 H new ATOM 0 HB3 TYR A 37 1.254 10.287 0.315 1.00 64.13 H new ATOM 0 HD1 TYR A 37 2.980 13.588 -0.003 1.00 40.12 H new ATOM 0 HD2 TYR A 37 -0.748 11.576 0.490 1.00 72.05 H new ATOM 0 HE1 TYR A 37 1.785 15.705 -0.368 1.00 50.13 H new ATOM 0 HE2 TYR A 37 -1.938 13.690 0.125 1.00 31.25 H new ATOM 0 HH TYR A 37 -1.785 15.845 -0.290 1.00 24.44 H new ATOM 603 N LYS A 38 2.616 9.078 3.456 1.00 52.14 N ATOM 604 CA LYS A 38 2.784 7.669 3.827 1.00 43.13 C ATOM 605 C LYS A 38 1.440 6.935 3.706 1.00 5.30 C ATOM 606 O LYS A 38 0.626 6.935 4.632 1.00 74.14 O ATOM 607 CB LYS A 38 3.343 7.549 5.256 1.00 42.25 C ATOM 608 CG LYS A 38 3.580 6.109 5.710 1.00 12.33 C ATOM 609 CD LYS A 38 4.259 6.051 7.078 1.00 10.34 C ATOM 610 CE LYS A 38 4.449 4.615 7.557 1.00 14.41 C ATOM 611 NZ LYS A 38 5.230 4.552 8.822 1.00 30.13 N ATOM 0 H LYS A 38 2.299 9.677 4.218 1.00 52.14 H new ATOM 0 HA LYS A 38 3.499 7.207 3.146 1.00 43.13 H new ATOM 0 HB2 LYS A 38 4.283 8.097 5.315 1.00 42.25 H new ATOM 0 HB3 LYS A 38 2.650 8.028 5.948 1.00 42.25 H new ATOM 0 HG2 LYS A 38 2.628 5.580 5.754 1.00 12.33 H new ATOM 0 HG3 LYS A 38 4.198 5.593 4.975 1.00 12.33 H new ATOM 0 HD2 LYS A 38 5.228 6.547 7.024 1.00 10.34 H new ATOM 0 HD3 LYS A 38 3.660 6.600 7.804 1.00 10.34 H new ATOM 0 HE2 LYS A 38 3.475 4.151 7.708 1.00 14.41 H new ATOM 0 HE3 LYS A 38 4.960 4.039 6.785 1.00 14.41 H new ATOM 0 HZ1 LYS A 38 5.337 3.560 9.115 1.00 30.13 H new ATOM 0 HZ2 LYS A 38 6.169 4.972 8.671 1.00 30.13 H new ATOM 0 HZ3 LYS A 38 4.730 5.080 9.565 1.00 30.13 H new ATOM 625 N LEU A 39 1.206 6.333 2.542 1.00 42.34 N ATOM 626 CA LEU A 39 -0.093 5.724 2.221 1.00 73.34 C ATOM 627 C LEU A 39 -0.037 4.190 2.310 1.00 71.25 C ATOM 628 O LEU A 39 0.986 3.578 2.007 1.00 72.23 O ATOM 629 CB LEU A 39 -0.528 6.154 0.810 1.00 3.10 C ATOM 630 CG LEU A 39 -0.411 7.662 0.517 1.00 13.30 C ATOM 631 CD1 LEU A 39 -0.902 7.984 -0.887 1.00 34.42 C ATOM 632 CD2 LEU A 39 -1.166 8.487 1.556 1.00 15.32 C ATOM 0 H LEU A 39 1.900 6.251 1.799 1.00 42.34 H new ATOM 0 HA LEU A 39 -0.821 6.071 2.954 1.00 73.34 H new ATOM 0 HB2 LEU A 39 0.073 5.611 0.081 1.00 3.10 H new ATOM 0 HB3 LEU A 39 -1.564 5.850 0.658 1.00 3.10 H new ATOM 0 HG LEU A 39 0.644 7.930 0.578 1.00 13.30 H new ATOM 0 HD11 LEU A 39 -0.809 9.055 -1.068 1.00 34.42 H new ATOM 0 HD12 LEU A 39 -0.303 7.439 -1.616 1.00 34.42 H new ATOM 0 HD13 LEU A 39 -1.947 7.689 -0.984 1.00 34.42 H new ATOM 0 HD21 LEU A 39 -1.065 9.547 1.322 1.00 15.32 H new ATOM 0 HD22 LEU A 39 -2.221 8.212 1.543 1.00 15.32 H new ATOM 0 HD23 LEU A 39 -0.752 8.292 2.546 1.00 15.32 H new ATOM 644 N THR A 40 -1.144 3.574 2.718 1.00 73.14 N ATOM 645 CA THR A 40 -1.217 2.111 2.850 1.00 51.44 C ATOM 646 C THR A 40 -1.511 1.436 1.504 1.00 41.33 C ATOM 647 O THR A 40 -2.657 1.392 1.053 1.00 74.04 O ATOM 648 CB THR A 40 -2.293 1.686 3.880 1.00 74.44 C ATOM 649 OG1 THR A 40 -2.000 2.266 5.162 1.00 53.14 O ATOM 650 CG2 THR A 40 -2.367 0.166 4.017 1.00 43.22 C ATOM 0 H THR A 40 -2.006 4.061 2.964 1.00 73.14 H new ATOM 0 HA THR A 40 -0.239 1.783 3.203 1.00 51.44 H new ATOM 0 HB THR A 40 -3.257 2.045 3.521 1.00 74.44 H new ATOM 0 HG1 THR A 40 -2.685 1.995 5.808 1.00 53.14 H new ATOM 0 HG21 THR A 40 -3.132 -0.097 4.748 1.00 43.22 H new ATOM 0 HG22 THR A 40 -2.620 -0.274 3.053 1.00 43.22 H new ATOM 0 HG23 THR A 40 -1.402 -0.217 4.349 1.00 43.22 H new ATOM 658 N GLY A 41 -0.465 0.922 0.863 1.00 54.24 N ATOM 659 CA GLY A 41 -0.614 0.235 -0.415 1.00 52.41 C ATOM 660 C GLY A 41 -0.901 -1.255 -0.263 1.00 35.23 C ATOM 661 O GLY A 41 -0.202 -1.956 0.471 1.00 51.14 O ATOM 0 H GLY A 41 0.494 0.968 1.208 1.00 54.24 H new ATOM 0 HA2 GLY A 41 -1.424 0.699 -0.978 1.00 52.41 H new ATOM 0 HA3 GLY A 41 0.297 0.366 -0.999 1.00 52.41 H new ATOM 665 N PHE A 42 -1.925 -1.741 -0.960 1.00 31.21 N ATOM 666 CA PHE A 42 -2.302 -3.157 -0.902 1.00 61.10 C ATOM 667 C PHE A 42 -1.574 -3.975 -1.982 1.00 64.12 C ATOM 668 O PHE A 42 -1.739 -3.744 -3.179 1.00 0.44 O ATOM 669 CB PHE A 42 -3.825 -3.301 -1.032 1.00 51.45 C ATOM 670 CG PHE A 42 -4.580 -2.686 0.123 1.00 51.21 C ATOM 671 CD1 PHE A 42 -4.817 -1.317 0.169 1.00 22.15 C ATOM 672 CD2 PHE A 42 -5.038 -3.473 1.172 1.00 22.34 C ATOM 673 CE1 PHE A 42 -5.498 -0.750 1.232 1.00 65.33 C ATOM 674 CE2 PHE A 42 -5.719 -2.911 2.236 1.00 41.40 C ATOM 675 CZ PHE A 42 -5.949 -1.550 2.266 1.00 4.44 C ATOM 0 H PHE A 42 -2.512 -1.176 -1.574 1.00 31.21 H new ATOM 0 HA PHE A 42 -1.996 -3.555 0.065 1.00 61.10 H new ATOM 0 HB2 PHE A 42 -4.150 -2.833 -1.961 1.00 51.45 H new ATOM 0 HB3 PHE A 42 -4.079 -4.359 -1.102 1.00 51.45 H new ATOM 0 HD1 PHE A 42 -4.465 -0.688 -0.635 1.00 22.15 H new ATOM 0 HD2 PHE A 42 -4.860 -4.538 1.156 1.00 22.34 H new ATOM 0 HE1 PHE A 42 -5.677 0.315 1.254 1.00 65.33 H new ATOM 0 HE2 PHE A 42 -6.071 -3.536 3.043 1.00 41.40 H new ATOM 0 HZ PHE A 42 -6.481 -1.110 3.097 1.00 4.44 H new ATOM 685 N ASP A 43 -0.757 -4.924 -1.533 1.00 3.11 N ATOM 686 CA ASP A 43 0.071 -5.748 -2.414 1.00 35.11 C ATOM 687 C ASP A 43 -0.761 -6.824 -3.143 1.00 41.33 C ATOM 688 O ASP A 43 -1.893 -7.120 -2.753 1.00 20.05 O ATOM 689 CB ASP A 43 1.180 -6.397 -1.571 1.00 21.43 C ATOM 690 CG ASP A 43 2.263 -7.048 -2.409 1.00 24.35 C ATOM 691 OD1 ASP A 43 2.079 -8.206 -2.829 1.00 12.22 O ATOM 692 OD2 ASP A 43 3.313 -6.409 -2.635 1.00 15.03 O ATOM 0 H ASP A 43 -0.649 -5.145 -0.543 1.00 3.11 H new ATOM 0 HA ASP A 43 0.508 -5.115 -3.186 1.00 35.11 H new ATOM 0 HB2 ASP A 43 1.631 -5.639 -0.931 1.00 21.43 H new ATOM 0 HB3 ASP A 43 0.737 -7.146 -0.915 1.00 21.43 H new ATOM 697 N LYS A 44 -0.181 -7.418 -4.189 1.00 61.51 N ATOM 698 CA LYS A 44 -0.849 -8.471 -4.968 1.00 11.04 C ATOM 699 C LYS A 44 -1.299 -9.649 -4.085 1.00 52.21 C ATOM 700 O LYS A 44 -2.332 -10.266 -4.345 1.00 70.22 O ATOM 701 CB LYS A 44 0.082 -8.990 -6.076 1.00 41.21 C ATOM 702 CG LYS A 44 0.375 -7.978 -7.186 1.00 35.33 C ATOM 703 CD LYS A 44 1.291 -8.575 -8.255 1.00 43.14 C ATOM 704 CE LYS A 44 1.494 -7.637 -9.443 1.00 60.35 C ATOM 705 NZ LYS A 44 2.118 -6.350 -9.047 1.00 43.35 N ATOM 0 H LYS A 44 0.756 -7.188 -4.520 1.00 61.51 H new ATOM 0 HA LYS A 44 -1.738 -8.023 -5.411 1.00 11.04 H new ATOM 0 HB2 LYS A 44 1.025 -9.299 -5.625 1.00 41.21 H new ATOM 0 HB3 LYS A 44 -0.365 -9.879 -6.521 1.00 41.21 H new ATOM 0 HG2 LYS A 44 -0.560 -7.656 -7.644 1.00 35.33 H new ATOM 0 HG3 LYS A 44 0.842 -7.091 -6.758 1.00 35.33 H new ATOM 0 HD2 LYS A 44 2.259 -8.808 -7.811 1.00 43.14 H new ATOM 0 HD3 LYS A 44 0.868 -9.516 -8.607 1.00 43.14 H new ATOM 0 HE2 LYS A 44 2.121 -8.128 -10.187 1.00 60.35 H new ATOM 0 HE3 LYS A 44 0.532 -7.441 -9.916 1.00 60.35 H new ATOM 0 HZ1 LYS A 44 2.599 -5.930 -9.868 1.00 43.35 H new ATOM 0 HZ2 LYS A 44 1.383 -5.698 -8.706 1.00 43.35 H new ATOM 0 HZ3 LYS A 44 2.810 -6.518 -8.289 1.00 43.35 H new ATOM 719 N ASP A 45 -0.519 -9.959 -3.046 1.00 25.33 N ATOM 720 CA ASP A 45 -0.855 -11.053 -2.119 1.00 40.11 C ATOM 721 C ASP A 45 -1.966 -10.654 -1.124 1.00 52.05 C ATOM 722 O ASP A 45 -2.357 -11.449 -0.262 1.00 1.04 O ATOM 723 CB ASP A 45 0.390 -11.493 -1.339 1.00 61.10 C ATOM 724 CG ASP A 45 1.488 -12.018 -2.243 1.00 0.33 C ATOM 725 OD1 ASP A 45 1.227 -12.969 -3.006 1.00 44.30 O ATOM 726 OD2 ASP A 45 2.624 -11.505 -2.174 1.00 30.34 O ATOM 0 H ASP A 45 0.349 -9.471 -2.822 1.00 25.33 H new ATOM 0 HA ASP A 45 -1.226 -11.880 -2.725 1.00 40.11 H new ATOM 0 HB2 ASP A 45 0.771 -10.649 -0.763 1.00 61.10 H new ATOM 0 HB3 ASP A 45 0.112 -12.267 -0.624 1.00 61.10 H new ATOM 731 N GLY A 46 -2.468 -9.427 -1.245 1.00 54.44 N ATOM 732 CA GLY A 46 -3.480 -8.924 -0.319 1.00 21.02 C ATOM 733 C GLY A 46 -2.876 -8.278 0.923 1.00 2.44 C ATOM 734 O GLY A 46 -3.597 -7.882 1.844 1.00 44.25 O ATOM 0 H GLY A 46 -2.192 -8.766 -1.971 1.00 54.44 H new ATOM 0 HA2 GLY A 46 -4.107 -8.195 -0.834 1.00 21.02 H new ATOM 0 HA3 GLY A 46 -4.129 -9.746 -0.016 1.00 21.02 H new ATOM 738 N LYS A 47 -1.548 -8.162 0.949 1.00 70.11 N ATOM 739 CA LYS A 47 -0.837 -7.586 2.097 1.00 14.40 C ATOM 740 C LYS A 47 -0.994 -6.059 2.154 1.00 31.53 C ATOM 741 O LYS A 47 -1.253 -5.415 1.140 1.00 15.35 O ATOM 742 CB LYS A 47 0.651 -7.944 2.029 1.00 50.12 C ATOM 743 CG LYS A 47 0.917 -9.442 1.935 1.00 55.42 C ATOM 744 CD LYS A 47 2.412 -9.740 1.945 1.00 54.11 C ATOM 745 CE LYS A 47 2.702 -11.232 1.847 1.00 65.42 C ATOM 746 NZ LYS A 47 4.158 -11.516 1.939 1.00 54.43 N ATOM 0 H LYS A 47 -0.939 -8.460 0.187 1.00 70.11 H new ATOM 0 HA LYS A 47 -1.278 -8.007 3.001 1.00 14.40 H new ATOM 0 HB2 LYS A 47 1.095 -7.450 1.165 1.00 50.12 H new ATOM 0 HB3 LYS A 47 1.151 -7.550 2.914 1.00 50.12 H new ATOM 0 HG2 LYS A 47 0.437 -9.952 2.770 1.00 55.42 H new ATOM 0 HG3 LYS A 47 0.471 -9.836 1.022 1.00 55.42 H new ATOM 0 HD2 LYS A 47 2.889 -9.223 1.112 1.00 54.11 H new ATOM 0 HD3 LYS A 47 2.853 -9.345 2.860 1.00 54.11 H new ATOM 0 HE2 LYS A 47 2.178 -11.758 2.645 1.00 65.42 H new ATOM 0 HE3 LYS A 47 2.315 -11.617 0.903 1.00 65.42 H new ATOM 0 HZ1 LYS A 47 4.317 -12.541 1.868 1.00 54.43 H new ATOM 0 HZ2 LYS A 47 4.655 -11.034 1.163 1.00 54.43 H new ATOM 0 HZ3 LYS A 47 4.522 -11.171 2.850 1.00 54.43 H new ATOM 760 N GLU A 48 -0.825 -5.484 3.339 1.00 60.10 N ATOM 761 CA GLU A 48 -0.914 -4.029 3.509 1.00 44.23 C ATOM 762 C GLU A 48 0.465 -3.424 3.836 1.00 24.20 C ATOM 763 O GLU A 48 0.963 -3.523 4.959 1.00 22.23 O ATOM 764 CB GLU A 48 -1.950 -3.688 4.595 1.00 11.12 C ATOM 765 CG GLU A 48 -1.731 -4.417 5.917 1.00 11.41 C ATOM 766 CD GLU A 48 -2.875 -4.219 6.895 1.00 43.43 C ATOM 767 OE1 GLU A 48 -2.860 -3.222 7.646 1.00 71.35 O ATOM 768 OE2 GLU A 48 -3.795 -5.067 6.922 1.00 25.43 O ATOM 0 H GLU A 48 -0.626 -5.997 4.198 1.00 60.10 H new ATOM 0 HA GLU A 48 -1.245 -3.587 2.569 1.00 44.23 H new ATOM 0 HB2 GLU A 48 -1.929 -2.614 4.777 1.00 11.12 H new ATOM 0 HB3 GLU A 48 -2.945 -3.928 4.221 1.00 11.12 H new ATOM 0 HG2 GLU A 48 -1.605 -5.482 5.723 1.00 11.41 H new ATOM 0 HG3 GLU A 48 -0.805 -4.065 6.372 1.00 11.41 H new ATOM 775 N LYS A 49 1.086 -2.818 2.827 1.00 21.11 N ATOM 776 CA LYS A 49 2.412 -2.205 2.971 1.00 43.45 C ATOM 777 C LYS A 49 2.308 -0.673 2.999 1.00 34.42 C ATOM 778 O LYS A 49 1.467 -0.090 2.322 1.00 64.42 O ATOM 779 CB LYS A 49 3.318 -2.646 1.809 1.00 3.31 C ATOM 780 CG LYS A 49 3.527 -4.157 1.731 1.00 62.20 C ATOM 781 CD LYS A 49 4.342 -4.560 0.501 1.00 33.13 C ATOM 782 CE LYS A 49 4.582 -6.068 0.443 1.00 14.02 C ATOM 783 NZ LYS A 49 5.360 -6.465 -0.760 1.00 10.33 N ATOM 0 H LYS A 49 0.691 -2.736 1.890 1.00 21.11 H new ATOM 0 HA LYS A 49 2.844 -2.536 3.915 1.00 43.45 H new ATOM 0 HB2 LYS A 49 2.885 -2.299 0.871 1.00 3.31 H new ATOM 0 HB3 LYS A 49 4.288 -2.159 1.911 1.00 3.31 H new ATOM 0 HG2 LYS A 49 4.037 -4.499 2.632 1.00 62.20 H new ATOM 0 HG3 LYS A 49 2.558 -4.656 1.704 1.00 62.20 H new ATOM 0 HD2 LYS A 49 3.819 -4.241 -0.401 1.00 33.13 H new ATOM 0 HD3 LYS A 49 5.300 -4.041 0.515 1.00 33.13 H new ATOM 0 HE2 LYS A 49 5.115 -6.384 1.340 1.00 14.02 H new ATOM 0 HE3 LYS A 49 3.624 -6.587 0.442 1.00 14.02 H new ATOM 0 HZ1 LYS A 49 5.896 -7.333 -0.556 1.00 10.33 H new ATOM 0 HZ2 LYS A 49 4.709 -6.638 -1.553 1.00 10.33 H new ATOM 0 HZ3 LYS A 49 6.020 -5.702 -1.014 1.00 10.33 H new ATOM 797 N GLU A 50 3.164 -0.022 3.778 1.00 63.31 N ATOM 798 CA GLU A 50 3.158 1.443 3.866 1.00 33.21 C ATOM 799 C GLU A 50 4.173 2.078 2.891 1.00 22.14 C ATOM 800 O GLU A 50 5.382 1.864 2.992 1.00 61.03 O ATOM 801 CB GLU A 50 3.407 1.914 5.319 1.00 31.53 C ATOM 802 CG GLU A 50 4.229 0.955 6.189 1.00 21.43 C ATOM 803 CD GLU A 50 5.632 0.697 5.658 1.00 61.34 C ATOM 804 OE1 GLU A 50 6.540 1.513 5.936 1.00 71.10 O ATOM 805 OE2 GLU A 50 5.833 -0.325 4.967 1.00 64.32 O ATOM 0 H GLU A 50 3.869 -0.478 4.357 1.00 63.31 H new ATOM 0 HA GLU A 50 2.167 1.784 3.568 1.00 33.21 H new ATOM 0 HB2 GLU A 50 3.916 2.877 5.289 1.00 31.53 H new ATOM 0 HB3 GLU A 50 2.443 2.078 5.800 1.00 31.53 H new ATOM 0 HG2 GLU A 50 4.301 1.364 7.197 1.00 21.43 H new ATOM 0 HG3 GLU A 50 3.700 0.005 6.268 1.00 21.43 H new ATOM 812 N LEU A 51 3.665 2.838 1.926 1.00 73.14 N ATOM 813 CA LEU A 51 4.509 3.535 0.953 1.00 62.41 C ATOM 814 C LEU A 51 4.642 5.020 1.317 1.00 72.24 C ATOM 815 O LEU A 51 3.703 5.798 1.146 1.00 21.24 O ATOM 816 CB LEU A 51 3.931 3.389 -0.468 1.00 70.22 C ATOM 817 CG LEU A 51 3.967 1.968 -1.072 1.00 32.25 C ATOM 818 CD1 LEU A 51 5.373 1.376 -0.994 1.00 3.24 C ATOM 819 CD2 LEU A 51 2.951 1.050 -0.394 1.00 73.53 C ATOM 0 H LEU A 51 2.665 2.990 1.794 1.00 73.14 H new ATOM 0 HA LEU A 51 5.499 3.080 0.977 1.00 62.41 H new ATOM 0 HB2 LEU A 51 2.896 3.730 -0.454 1.00 70.22 H new ATOM 0 HB3 LEU A 51 4.478 4.058 -1.132 1.00 70.22 H new ATOM 0 HG LEU A 51 3.691 2.049 -2.123 1.00 32.25 H new ATOM 0 HD11 LEU A 51 5.371 0.375 -1.426 1.00 3.24 H new ATOM 0 HD12 LEU A 51 6.066 2.009 -1.549 1.00 3.24 H new ATOM 0 HD13 LEU A 51 5.687 1.321 0.048 1.00 3.24 H new ATOM 0 HD21 LEU A 51 3.002 0.058 -0.842 1.00 73.53 H new ATOM 0 HD22 LEU A 51 3.177 0.980 0.670 1.00 73.53 H new ATOM 0 HD23 LEU A 51 1.948 1.457 -0.526 1.00 73.53 H new ATOM 831 N GLU A 52 5.806 5.402 1.837 1.00 53.31 N ATOM 832 CA GLU A 52 6.069 6.795 2.213 1.00 24.13 C ATOM 833 C GLU A 52 6.860 7.534 1.122 1.00 15.11 C ATOM 834 O GLU A 52 7.994 7.174 0.803 1.00 30.55 O ATOM 835 CB GLU A 52 6.828 6.855 3.552 1.00 64.54 C ATOM 836 CG GLU A 52 8.121 6.038 3.585 1.00 42.34 C ATOM 837 CD GLU A 52 8.914 6.238 4.870 1.00 2.01 C ATOM 838 OE1 GLU A 52 8.397 5.881 5.951 1.00 2.20 O ATOM 839 OE2 GLU A 52 10.045 6.768 4.811 1.00 35.30 O ATOM 0 H GLU A 52 6.586 4.767 2.009 1.00 53.31 H new ATOM 0 HA GLU A 52 5.107 7.295 2.326 1.00 24.13 H new ATOM 0 HB2 GLU A 52 7.065 7.895 3.775 1.00 64.54 H new ATOM 0 HB3 GLU A 52 6.169 6.501 4.345 1.00 64.54 H new ATOM 0 HG2 GLU A 52 7.880 4.981 3.473 1.00 42.34 H new ATOM 0 HG3 GLU A 52 8.742 6.315 2.733 1.00 42.34 H new ATOM 846 N PHE A 53 6.253 8.567 0.547 1.00 24.40 N ATOM 847 CA PHE A 53 6.929 9.394 -0.458 1.00 11.02 C ATOM 848 C PHE A 53 6.593 10.880 -0.276 1.00 21.53 C ATOM 849 O PHE A 53 5.457 11.240 0.033 1.00 24.23 O ATOM 850 CB PHE A 53 6.564 8.925 -1.880 1.00 43.53 C ATOM 851 CG PHE A 53 5.079 8.897 -2.167 1.00 23.24 C ATOM 852 CD1 PHE A 53 4.310 7.791 -1.820 1.00 73.23 C ATOM 853 CD2 PHE A 53 4.451 9.972 -2.786 1.00 34.12 C ATOM 854 CE1 PHE A 53 2.953 7.761 -2.083 1.00 24.12 C ATOM 855 CE2 PHE A 53 3.095 9.943 -3.051 1.00 2.15 C ATOM 856 CZ PHE A 53 2.348 8.837 -2.699 1.00 45.30 C ATOM 0 H PHE A 53 5.297 8.855 0.756 1.00 24.40 H new ATOM 0 HA PHE A 53 8.004 9.276 -0.319 1.00 11.02 H new ATOM 0 HB2 PHE A 53 7.049 9.582 -2.602 1.00 43.53 H new ATOM 0 HB3 PHE A 53 6.971 7.926 -2.035 1.00 43.53 H new ATOM 0 HD1 PHE A 53 4.779 6.945 -1.339 1.00 73.23 H new ATOM 0 HD2 PHE A 53 5.030 10.840 -3.063 1.00 34.12 H new ATOM 0 HE1 PHE A 53 2.368 6.897 -1.807 1.00 24.12 H new ATOM 0 HE2 PHE A 53 2.620 10.785 -3.533 1.00 2.15 H new ATOM 0 HZ PHE A 53 1.288 8.814 -2.906 1.00 45.30 H new ATOM 866 N THR A 54 7.593 11.738 -0.448 1.00 75.23 N ATOM 867 CA THR A 54 7.398 13.188 -0.343 1.00 71.33 C ATOM 868 C THR A 54 7.014 13.803 -1.698 1.00 31.14 C ATOM 869 O THR A 54 7.497 13.380 -2.752 1.00 22.31 O ATOM 870 CB THR A 54 8.660 13.900 0.202 1.00 32.14 C ATOM 871 OG1 THR A 54 9.813 13.532 -0.574 1.00 53.24 O ATOM 872 CG2 THR A 54 8.901 13.549 1.668 1.00 44.23 C ATOM 0 H THR A 54 8.550 11.458 -0.661 1.00 75.23 H new ATOM 0 HA THR A 54 6.580 13.338 0.361 1.00 71.33 H new ATOM 0 HB THR A 54 8.496 14.975 0.124 1.00 32.14 H new ATOM 0 HG1 THR A 54 10.604 13.990 -0.221 1.00 53.24 H new ATOM 0 HG21 THR A 54 9.794 14.064 2.023 1.00 44.23 H new ATOM 0 HG22 THR A 54 8.042 13.860 2.263 1.00 44.23 H new ATOM 0 HG23 THR A 54 9.039 12.472 1.766 1.00 44.23 H new ATOM 880 N ALA A 55 6.145 14.810 -1.658 1.00 34.22 N ATOM 881 CA ALA A 55 5.631 15.450 -2.872 1.00 61.05 C ATOM 882 C ALA A 55 5.823 16.973 -2.846 1.00 34.34 C ATOM 883 O ALA A 55 6.105 17.570 -1.801 1.00 3.34 O ATOM 884 CB ALA A 55 4.155 15.108 -3.059 1.00 65.40 C ATOM 0 H ALA A 55 5.778 15.205 -0.792 1.00 34.22 H new ATOM 0 HA ALA A 55 6.204 15.064 -3.715 1.00 61.05 H new ATOM 0 HB1 ALA A 55 3.782 15.588 -3.964 1.00 65.40 H new ATOM 0 HB2 ALA A 55 4.040 14.028 -3.148 1.00 65.40 H new ATOM 0 HB3 ALA A 55 3.587 15.464 -2.199 1.00 65.40 H new ATOM 890 N GLN A 56 5.664 17.591 -4.015 1.00 54.54 N ATOM 891 CA GLN A 56 5.832 19.043 -4.177 1.00 63.21 C ATOM 892 C GLN A 56 4.565 19.831 -3.799 1.00 13.23 C ATOM 893 O GLN A 56 4.645 21.003 -3.429 1.00 11.32 O ATOM 894 CB GLN A 56 6.217 19.353 -5.632 1.00 63.30 C ATOM 895 CG GLN A 56 5.237 18.791 -6.660 1.00 71.42 C ATOM 896 CD GLN A 56 5.639 19.092 -8.093 1.00 23.34 C ATOM 897 OE1 GLN A 56 6.815 19.237 -8.408 1.00 30.52 O ATOM 898 NE2 GLN A 56 4.665 19.193 -8.977 1.00 63.54 N ATOM 0 H GLN A 56 5.416 17.105 -4.877 1.00 54.54 H new ATOM 0 HA GLN A 56 6.623 19.358 -3.496 1.00 63.21 H new ATOM 0 HB2 GLN A 56 6.283 20.434 -5.759 1.00 63.30 H new ATOM 0 HB3 GLN A 56 7.209 18.948 -5.830 1.00 63.30 H new ATOM 0 HG2 GLN A 56 5.162 17.711 -6.529 1.00 71.42 H new ATOM 0 HG3 GLN A 56 4.246 19.205 -6.472 1.00 71.42 H new ATOM 0 HE21 GLN A 56 3.696 19.067 -8.685 1.00 63.54 H new ATOM 0 HE22 GLN A 56 4.881 19.397 -9.953 1.00 63.54 H new ATOM 907 N LYS A 57 3.404 19.186 -3.894 1.00 62.44 N ATOM 908 CA LYS A 57 2.112 19.863 -3.692 1.00 44.45 C ATOM 909 C LYS A 57 1.140 19.009 -2.866 1.00 35.43 C ATOM 910 O LYS A 57 1.395 17.834 -2.599 1.00 23.15 O ATOM 911 CB LYS A 57 1.458 20.163 -5.050 1.00 31.05 C ATOM 912 CG LYS A 57 2.210 21.165 -5.920 1.00 64.32 C ATOM 913 CD LYS A 57 1.558 21.329 -7.295 1.00 13.53 C ATOM 914 CE LYS A 57 0.200 22.040 -7.237 1.00 5.15 C ATOM 915 NZ LYS A 57 -0.823 21.290 -6.454 1.00 70.11 N ATOM 0 H LYS A 57 3.325 18.192 -4.110 1.00 62.44 H new ATOM 0 HA LYS A 57 2.316 20.786 -3.149 1.00 44.45 H new ATOM 0 HB2 LYS A 57 1.357 19.229 -5.602 1.00 31.05 H new ATOM 0 HB3 LYS A 57 0.450 20.540 -4.876 1.00 31.05 H new ATOM 0 HG2 LYS A 57 2.242 22.131 -5.416 1.00 64.32 H new ATOM 0 HG3 LYS A 57 3.242 20.836 -6.044 1.00 64.32 H new ATOM 0 HD2 LYS A 57 2.229 21.893 -7.944 1.00 13.53 H new ATOM 0 HD3 LYS A 57 1.428 20.346 -7.748 1.00 13.53 H new ATOM 0 HE2 LYS A 57 0.333 23.028 -6.796 1.00 5.15 H new ATOM 0 HE3 LYS A 57 -0.167 22.191 -8.252 1.00 5.15 H new ATOM 0 HZ1 LYS A 57 -1.750 21.383 -6.915 1.00 70.11 H new ATOM 0 HZ2 LYS A 57 -0.558 20.285 -6.409 1.00 70.11 H new ATOM 0 HZ3 LYS A 57 -0.875 21.677 -5.490 1.00 70.11 H new ATOM 929 N ASN A 58 0.021 19.618 -2.475 1.00 21.43 N ATOM 930 CA ASN A 58 -1.089 18.883 -1.868 1.00 30.01 C ATOM 931 C ASN A 58 -1.799 18.045 -2.940 1.00 43.44 C ATOM 932 O ASN A 58 -2.547 18.583 -3.763 1.00 64.31 O ATOM 933 CB ASN A 58 -2.095 19.846 -1.223 1.00 31.13 C ATOM 934 CG ASN A 58 -1.486 20.691 -0.119 1.00 23.23 C ATOM 935 OD1 ASN A 58 -0.566 20.274 0.572 1.00 44.12 O ATOM 936 ND2 ASN A 58 -2.003 21.889 0.060 1.00 34.41 N ATOM 0 H ASN A 58 -0.141 20.621 -2.568 1.00 21.43 H new ATOM 0 HA ASN A 58 -0.687 18.230 -1.093 1.00 30.01 H new ATOM 0 HB2 ASN A 58 -2.504 20.502 -1.991 1.00 31.13 H new ATOM 0 HB3 ASN A 58 -2.928 19.273 -0.816 1.00 31.13 H new ATOM 0 HD21 ASN A 58 -1.637 22.498 0.791 1.00 34.41 H new ATOM 0 HD22 ASN A 58 -2.770 22.207 -0.533 1.00 34.41 H new ATOM 943 N LEU A 59 -1.544 16.742 -2.945 1.00 24.45 N ATOM 944 CA LEU A 59 -2.103 15.850 -3.967 1.00 33.32 C ATOM 945 C LEU A 59 -3.640 15.805 -3.896 1.00 31.21 C ATOM 946 O LEU A 59 -4.227 15.963 -2.824 1.00 43.13 O ATOM 947 CB LEU A 59 -1.513 14.439 -3.818 1.00 23.32 C ATOM 948 CG LEU A 59 0.026 14.370 -3.799 1.00 44.11 C ATOM 949 CD1 LEU A 59 0.509 12.925 -3.693 1.00 50.43 C ATOM 950 CD2 LEU A 59 0.618 15.049 -5.031 1.00 61.02 C ATOM 0 H LEU A 59 -0.955 16.275 -2.256 1.00 24.45 H new ATOM 0 HA LEU A 59 -1.831 16.246 -4.946 1.00 33.32 H new ATOM 0 HB2 LEU A 59 -1.892 14.000 -2.895 1.00 23.32 H new ATOM 0 HB3 LEU A 59 -1.878 13.821 -4.638 1.00 23.32 H new ATOM 0 HG LEU A 59 0.373 14.907 -2.916 1.00 44.11 H new ATOM 0 HD11 LEU A 59 1.599 12.906 -3.682 1.00 50.43 H new ATOM 0 HD12 LEU A 59 0.129 12.481 -2.773 1.00 50.43 H new ATOM 0 HD13 LEU A 59 0.145 12.356 -4.548 1.00 50.43 H new ATOM 0 HD21 LEU A 59 1.706 14.987 -4.994 1.00 61.02 H new ATOM 0 HD22 LEU A 59 0.257 14.550 -5.930 1.00 61.02 H new ATOM 0 HD23 LEU A 59 0.315 16.096 -5.050 1.00 61.02 H new ATOM 962 N ARG A 60 -4.279 15.591 -5.045 1.00 65.54 N ATOM 963 CA ARG A 60 -5.745 15.609 -5.142 1.00 42.02 C ATOM 964 C ARG A 60 -6.412 14.598 -4.192 1.00 23.24 C ATOM 965 O ARG A 60 -6.332 13.386 -4.394 1.00 75.51 O ATOM 966 CB ARG A 60 -6.181 15.330 -6.588 1.00 21.33 C ATOM 967 CG ARG A 60 -5.897 16.476 -7.555 1.00 13.33 C ATOM 968 CD ARG A 60 -6.213 16.087 -8.998 1.00 12.21 C ATOM 969 NE ARG A 60 -6.232 17.243 -9.893 1.00 32.32 N ATOM 970 CZ ARG A 60 -5.564 17.327 -11.011 1.00 62.12 C ATOM 971 NH1 ARG A 60 -4.704 16.415 -11.344 1.00 63.31 N ATOM 972 NH2 ARG A 60 -5.738 18.354 -11.779 1.00 11.14 N ATOM 0 H ARG A 60 -3.805 15.402 -5.928 1.00 65.54 H new ATOM 0 HA ARG A 60 -6.073 16.604 -4.840 1.00 42.02 H new ATOM 0 HB2 ARG A 60 -5.672 14.434 -6.943 1.00 21.33 H new ATOM 0 HB3 ARG A 60 -7.250 15.115 -6.599 1.00 21.33 H new ATOM 0 HG2 ARG A 60 -6.491 17.346 -7.274 1.00 13.33 H new ATOM 0 HG3 ARG A 60 -4.849 16.767 -7.477 1.00 13.33 H new ATOM 0 HD2 ARG A 60 -5.471 15.370 -9.350 1.00 12.21 H new ATOM 0 HD3 ARG A 60 -7.181 15.587 -9.033 1.00 12.21 H new ATOM 0 HE ARG A 60 -6.808 18.041 -9.624 1.00 32.32 H new ATOM 0 HH11 ARG A 60 -4.542 15.618 -10.729 1.00 63.31 H new ATOM 0 HH12 ARG A 60 -4.190 16.495 -12.221 1.00 63.31 H new ATOM 0 HH21 ARG A 60 -6.392 19.088 -11.508 1.00 11.14 H new ATOM 0 HH22 ARG A 60 -5.221 18.429 -12.655 1.00 11.14 H new ATOM 986 N LYS A 61 -7.073 15.109 -3.156 1.00 75.10 N ATOM 987 CA LYS A 61 -7.830 14.266 -2.223 1.00 10.12 C ATOM 988 C LYS A 61 -8.961 13.517 -2.957 1.00 11.40 C ATOM 989 O LYS A 61 -9.653 14.099 -3.798 1.00 72.51 O ATOM 990 CB LYS A 61 -8.394 15.127 -1.082 1.00 44.44 C ATOM 991 CG LYS A 61 -7.318 15.903 -0.320 1.00 74.35 C ATOM 992 CD LYS A 61 -7.911 16.899 0.678 1.00 74.21 C ATOM 993 CE LYS A 61 -8.592 16.210 1.859 1.00 10.13 C ATOM 994 NZ LYS A 61 -7.620 15.487 2.723 1.00 74.43 N ATOM 0 H LYS A 61 -7.102 16.105 -2.938 1.00 75.10 H new ATOM 0 HA LYS A 61 -7.158 13.520 -1.799 1.00 10.12 H new ATOM 0 HB2 LYS A 61 -9.118 15.831 -1.491 1.00 44.44 H new ATOM 0 HB3 LYS A 61 -8.932 14.486 -0.384 1.00 44.44 H new ATOM 0 HG2 LYS A 61 -6.675 15.201 0.211 1.00 74.35 H new ATOM 0 HG3 LYS A 61 -6.688 16.437 -1.031 1.00 74.35 H new ATOM 0 HD2 LYS A 61 -7.120 17.551 1.049 1.00 74.21 H new ATOM 0 HD3 LYS A 61 -8.634 17.534 0.166 1.00 74.21 H new ATOM 0 HE2 LYS A 61 -9.123 16.953 2.454 1.00 10.13 H new ATOM 0 HE3 LYS A 61 -9.338 15.508 1.487 1.00 10.13 H new ATOM 0 HZ1 LYS A 61 -8.102 15.150 3.581 1.00 74.43 H new ATOM 0 HZ2 LYS A 61 -7.230 14.675 2.203 1.00 74.43 H new ATOM 0 HZ3 LYS A 61 -6.847 16.130 2.990 1.00 74.43 H new ATOM 1008 N GLU A 62 -9.138 12.232 -2.624 1.00 1.34 N ATOM 1009 CA GLU A 62 -10.084 11.330 -3.322 1.00 4.22 C ATOM 1010 C GLU A 62 -9.585 10.903 -4.715 1.00 40.14 C ATOM 1011 O GLU A 62 -10.334 10.307 -5.490 1.00 63.34 O ATOM 1012 CB GLU A 62 -11.494 11.944 -3.431 1.00 64.10 C ATOM 1013 CG GLU A 62 -12.254 12.007 -2.108 1.00 22.40 C ATOM 1014 CD GLU A 62 -12.410 10.640 -1.453 1.00 40.21 C ATOM 1015 OE1 GLU A 62 -13.170 9.800 -1.984 1.00 4.50 O ATOM 1016 OE2 GLU A 62 -11.772 10.399 -0.403 1.00 25.23 O ATOM 0 H GLU A 62 -8.632 11.781 -1.862 1.00 1.34 H new ATOM 0 HA GLU A 62 -10.143 10.435 -2.703 1.00 4.22 H new ATOM 0 HB2 GLU A 62 -11.409 12.952 -3.836 1.00 64.10 H new ATOM 0 HB3 GLU A 62 -12.077 11.362 -4.145 1.00 64.10 H new ATOM 0 HG2 GLU A 62 -11.730 12.675 -1.424 1.00 22.40 H new ATOM 0 HG3 GLU A 62 -13.241 12.437 -2.281 1.00 22.40 H new ATOM 1023 N ALA A 63 -8.321 11.194 -5.027 1.00 1.45 N ATOM 1024 CA ALA A 63 -7.702 10.704 -6.266 1.00 2.52 C ATOM 1025 C ALA A 63 -6.927 9.403 -6.013 1.00 31.34 C ATOM 1026 O ALA A 63 -6.494 9.134 -4.890 1.00 54.31 O ATOM 1027 CB ALA A 63 -6.779 11.760 -6.865 1.00 65.43 C ATOM 0 H ALA A 63 -7.707 11.763 -4.445 1.00 1.45 H new ATOM 0 HA ALA A 63 -8.500 10.497 -6.979 1.00 2.52 H new ATOM 0 HB1 ALA A 63 -6.332 11.375 -7.782 1.00 65.43 H new ATOM 0 HB2 ALA A 63 -7.353 12.659 -7.091 1.00 65.43 H new ATOM 0 HB3 ALA A 63 -5.992 12.002 -6.151 1.00 65.43 H new ATOM 1033 N PHE A 64 -6.750 8.604 -7.062 1.00 12.02 N ATOM 1034 CA PHE A 64 -6.068 7.310 -6.950 1.00 30.34 C ATOM 1035 C PHE A 64 -4.616 7.392 -7.447 1.00 2.32 C ATOM 1036 O PHE A 64 -4.358 7.672 -8.619 1.00 5.24 O ATOM 1037 CB PHE A 64 -6.835 6.239 -7.737 1.00 24.40 C ATOM 1038 CG PHE A 64 -8.249 6.033 -7.251 1.00 23.30 C ATOM 1039 CD1 PHE A 64 -9.288 6.804 -7.752 1.00 24.14 C ATOM 1040 CD2 PHE A 64 -8.538 5.071 -6.292 1.00 22.13 C ATOM 1041 CE1 PHE A 64 -10.583 6.620 -7.309 1.00 32.31 C ATOM 1042 CE2 PHE A 64 -9.832 4.885 -5.847 1.00 22.14 C ATOM 1043 CZ PHE A 64 -10.856 5.660 -6.357 1.00 5.50 C ATOM 0 H PHE A 64 -7.070 8.828 -8.004 1.00 12.02 H new ATOM 0 HA PHE A 64 -6.045 7.036 -5.895 1.00 30.34 H new ATOM 0 HB2 PHE A 64 -6.858 6.520 -8.790 1.00 24.40 H new ATOM 0 HB3 PHE A 64 -6.295 5.294 -7.671 1.00 24.40 H new ATOM 0 HD1 PHE A 64 -9.081 7.557 -8.498 1.00 24.14 H new ATOM 0 HD2 PHE A 64 -7.742 4.462 -5.890 1.00 22.13 H new ATOM 0 HE1 PHE A 64 -11.382 7.228 -7.708 1.00 32.31 H new ATOM 0 HE2 PHE A 64 -10.044 4.134 -5.100 1.00 22.14 H new ATOM 0 HZ PHE A 64 -11.869 5.514 -6.011 1.00 5.50 H new ATOM 1053 N LEU A 65 -3.674 7.145 -6.548 1.00 30.32 N ATOM 1054 CA LEU A 65 -2.251 7.173 -6.886 1.00 62.32 C ATOM 1055 C LEU A 65 -1.731 5.779 -7.274 1.00 62.43 C ATOM 1056 O LEU A 65 -1.793 4.840 -6.481 1.00 51.21 O ATOM 1057 CB LEU A 65 -1.443 7.720 -5.702 1.00 52.25 C ATOM 1058 CG LEU A 65 -1.658 9.208 -5.386 1.00 10.33 C ATOM 1059 CD1 LEU A 65 -0.981 9.580 -4.071 1.00 61.01 C ATOM 1060 CD2 LEU A 65 -1.124 10.074 -6.522 1.00 21.02 C ATOM 0 H LEU A 65 -3.868 6.921 -5.572 1.00 30.32 H new ATOM 0 HA LEU A 65 -2.127 7.827 -7.749 1.00 62.32 H new ATOM 0 HB2 LEU A 65 -1.693 7.138 -4.815 1.00 52.25 H new ATOM 0 HB3 LEU A 65 -0.384 7.558 -5.902 1.00 52.25 H new ATOM 0 HG LEU A 65 -2.728 9.388 -5.285 1.00 10.33 H new ATOM 0 HD11 LEU A 65 -1.144 10.638 -3.864 1.00 61.01 H new ATOM 0 HD12 LEU A 65 -1.403 8.983 -3.263 1.00 61.01 H new ATOM 0 HD13 LEU A 65 0.089 9.386 -4.145 1.00 61.01 H new ATOM 0 HD21 LEU A 65 -1.283 11.126 -6.284 1.00 21.02 H new ATOM 0 HD22 LEU A 65 -0.058 9.889 -6.650 1.00 21.02 H new ATOM 0 HD23 LEU A 65 -1.649 9.828 -7.445 1.00 21.02 H new ATOM 1072 N ARG A 66 -1.232 5.654 -8.504 1.00 52.42 N ATOM 1073 CA ARG A 66 -0.570 4.425 -8.956 1.00 21.11 C ATOM 1074 C ARG A 66 0.891 4.408 -8.482 1.00 71.33 C ATOM 1075 O ARG A 66 1.780 4.924 -9.162 1.00 14.32 O ATOM 1076 CB ARG A 66 -0.637 4.306 -10.489 1.00 71.13 C ATOM 1077 CG ARG A 66 0.095 3.084 -11.057 1.00 23.44 C ATOM 1078 CD ARG A 66 -0.002 3.010 -12.581 1.00 22.21 C ATOM 1079 NE ARG A 66 -1.363 2.711 -13.033 1.00 14.12 N ATOM 1080 CZ ARG A 66 -2.010 3.399 -13.938 1.00 40.32 C ATOM 1081 NH1 ARG A 66 -1.455 4.409 -14.521 1.00 61.42 N ATOM 1082 NH2 ARG A 66 -3.209 3.057 -14.275 1.00 35.00 N ATOM 0 H ARG A 66 -1.273 6.390 -9.209 1.00 52.42 H new ATOM 0 HA ARG A 66 -1.091 3.571 -8.523 1.00 21.11 H new ATOM 0 HB2 ARG A 66 -1.683 4.263 -10.794 1.00 71.13 H new ATOM 0 HB3 ARG A 66 -0.213 5.208 -10.931 1.00 71.13 H new ATOM 0 HG2 ARG A 66 1.144 3.122 -10.763 1.00 23.44 H new ATOM 0 HG3 ARG A 66 -0.325 2.177 -10.623 1.00 23.44 H new ATOM 0 HD2 ARG A 66 0.322 3.958 -13.011 1.00 22.21 H new ATOM 0 HD3 ARG A 66 0.679 2.243 -12.950 1.00 22.21 H new ATOM 0 HE ARG A 66 -1.838 1.912 -12.613 1.00 14.12 H new ATOM 0 HH11 ARG A 66 -0.502 4.678 -14.277 1.00 61.42 H new ATOM 0 HH12 ARG A 66 -1.970 4.938 -15.225 1.00 61.42 H new ATOM 0 HH21 ARG A 66 -3.652 2.250 -13.835 1.00 35.00 H new ATOM 0 HH22 ARG A 66 -3.713 3.594 -14.981 1.00 35.00 H new ATOM 1096 N VAL A 67 1.123 3.848 -7.298 1.00 20.12 N ATOM 1097 CA VAL A 67 2.462 3.811 -6.703 1.00 60.53 C ATOM 1098 C VAL A 67 3.283 2.619 -7.213 1.00 31.33 C ATOM 1099 O VAL A 67 2.879 1.460 -7.097 1.00 31.33 O ATOM 1100 CB VAL A 67 2.386 3.755 -5.156 1.00 74.41 C ATOM 1101 CG1 VAL A 67 3.781 3.741 -4.533 1.00 62.42 C ATOM 1102 CG2 VAL A 67 1.559 4.922 -4.614 1.00 0.41 C ATOM 0 H VAL A 67 0.400 3.411 -6.727 1.00 20.12 H new ATOM 0 HA VAL A 67 2.961 4.731 -7.007 1.00 60.53 H new ATOM 0 HB VAL A 67 1.890 2.825 -4.878 1.00 74.41 H new ATOM 0 HG11 VAL A 67 3.694 3.702 -3.447 1.00 62.42 H new ATOM 0 HG12 VAL A 67 4.328 2.867 -4.885 1.00 62.42 H new ATOM 0 HG13 VAL A 67 4.317 4.645 -4.821 1.00 62.42 H new ATOM 0 HG21 VAL A 67 1.518 4.864 -3.526 1.00 0.41 H new ATOM 0 HG22 VAL A 67 2.021 5.864 -4.910 1.00 0.41 H new ATOM 0 HG23 VAL A 67 0.548 4.870 -5.019 1.00 0.41 H new ATOM 1112 N TYR A 68 4.441 2.934 -7.779 1.00 11.21 N ATOM 1113 CA TYR A 68 5.374 1.937 -8.296 1.00 3.32 C ATOM 1114 C TYR A 68 6.354 1.465 -7.205 1.00 22.43 C ATOM 1115 O TYR A 68 7.031 2.273 -6.564 1.00 73.41 O ATOM 1116 CB TYR A 68 6.127 2.533 -9.501 1.00 44.52 C ATOM 1117 CG TYR A 68 7.469 1.886 -9.793 1.00 32.13 C ATOM 1118 CD1 TYR A 68 7.566 0.709 -10.530 1.00 43.45 C ATOM 1119 CD2 TYR A 68 8.641 2.464 -9.325 1.00 73.21 C ATOM 1120 CE1 TYR A 68 8.796 0.127 -10.789 1.00 13.44 C ATOM 1121 CE2 TYR A 68 9.874 1.892 -9.580 1.00 44.11 C ATOM 1122 CZ TYR A 68 9.946 0.725 -10.311 1.00 35.20 C ATOM 1123 OH TYR A 68 11.177 0.152 -10.562 1.00 53.32 O ATOM 0 H TYR A 68 4.763 3.895 -7.894 1.00 11.21 H new ATOM 0 HA TYR A 68 4.815 1.059 -8.618 1.00 3.32 H new ATOM 0 HB2 TYR A 68 5.496 2.445 -10.386 1.00 44.52 H new ATOM 0 HB3 TYR A 68 6.283 3.597 -9.325 1.00 44.52 H new ATOM 0 HD1 TYR A 68 6.668 0.242 -10.906 1.00 43.45 H new ATOM 0 HD2 TYR A 68 8.589 3.377 -8.751 1.00 73.21 H new ATOM 0 HE1 TYR A 68 8.856 -0.788 -11.360 1.00 13.44 H new ATOM 0 HE2 TYR A 68 10.775 2.357 -9.209 1.00 44.11 H new ATOM 0 HH TYR A 68 11.881 0.700 -10.157 1.00 53.32 H new ATOM 1133 N HIS A 69 6.427 0.150 -7.016 1.00 0.41 N ATOM 1134 CA HIS A 69 7.304 -0.459 -6.010 1.00 12.11 C ATOM 1135 C HIS A 69 8.774 -0.417 -6.466 1.00 24.02 C ATOM 1136 O HIS A 69 9.120 -0.958 -7.517 1.00 4.23 O ATOM 1137 CB HIS A 69 6.859 -1.909 -5.773 1.00 53.44 C ATOM 1138 CG HIS A 69 7.357 -2.536 -4.507 1.00 24.43 C ATOM 1139 ND1 HIS A 69 7.436 -3.901 -4.332 1.00 60.22 N ATOM 1140 CD2 HIS A 69 7.748 -1.988 -3.328 1.00 4.12 C ATOM 1141 CE1 HIS A 69 7.843 -4.166 -3.108 1.00 4.24 C ATOM 1142 NE2 HIS A 69 8.043 -3.026 -2.476 1.00 70.41 N ATOM 0 H HIS A 69 5.883 -0.525 -7.553 1.00 0.41 H new ATOM 0 HA HIS A 69 7.229 0.105 -5.080 1.00 12.11 H new ATOM 0 HB2 HIS A 69 5.769 -1.941 -5.770 1.00 53.44 H new ATOM 0 HB3 HIS A 69 7.193 -2.516 -6.615 1.00 53.44 H new ATOM 0 HD1 HIS A 69 7.213 -4.599 -5.042 1.00 60.22 H new ATOM 0 HD2 HIS A 69 7.815 -0.934 -3.102 1.00 4.12 H new ATOM 0 HE1 HIS A 69 7.989 -5.152 -2.692 1.00 4.24 H new ATOM 1151 N SER A 70 9.632 0.222 -5.673 1.00 73.51 N ATOM 1152 CA SER A 70 11.052 0.387 -6.035 1.00 12.02 C ATOM 1153 C SER A 70 11.991 -0.043 -4.901 1.00 30.21 C ATOM 1154 O SER A 70 11.548 -0.401 -3.810 1.00 14.35 O ATOM 1155 CB SER A 70 11.336 1.848 -6.406 1.00 20.15 C ATOM 1156 OG SER A 70 12.681 2.023 -6.832 1.00 64.31 O ATOM 0 H SER A 70 9.377 0.636 -4.776 1.00 73.51 H new ATOM 0 HA SER A 70 11.243 -0.259 -6.892 1.00 12.02 H new ATOM 0 HB2 SER A 70 10.658 2.162 -7.199 1.00 20.15 H new ATOM 0 HB3 SER A 70 11.139 2.488 -5.546 1.00 20.15 H new ATOM 0 HG SER A 70 12.694 2.509 -7.683 1.00 64.31 H new ATOM 1162 N ASP A 71 13.294 0.021 -5.170 1.00 0.34 N ATOM 1163 CA ASP A 71 14.324 -0.421 -4.223 1.00 70.14 C ATOM 1164 C ASP A 71 14.884 0.748 -3.392 1.00 30.53 C ATOM 1165 O ASP A 71 14.866 0.716 -2.159 1.00 21.55 O ATOM 1166 CB ASP A 71 15.471 -1.088 -4.992 1.00 14.25 C ATOM 1167 CG ASP A 71 14.997 -2.203 -5.907 1.00 23.13 C ATOM 1168 OD1 ASP A 71 14.543 -1.903 -7.037 1.00 0.54 O ATOM 1169 OD2 ASP A 71 15.092 -3.385 -5.509 1.00 1.01 O ATOM 0 H ASP A 71 13.668 0.380 -6.048 1.00 0.34 H new ATOM 0 HA ASP A 71 13.860 -1.129 -3.536 1.00 70.14 H new ATOM 0 HB2 ASP A 71 15.991 -0.335 -5.584 1.00 14.25 H new ATOM 0 HB3 ASP A 71 16.193 -1.490 -4.281 1.00 14.25 H new ATOM 1174 N LYS A 72 15.357 1.785 -4.089 1.00 12.22 N ATOM 1175 CA LYS A 72 16.115 2.894 -3.478 1.00 13.34 C ATOM 1176 C LYS A 72 15.448 3.488 -2.220 1.00 74.44 C ATOM 1177 O LYS A 72 16.128 3.806 -1.239 1.00 21.21 O ATOM 1178 CB LYS A 72 16.348 4.003 -4.517 1.00 23.44 C ATOM 1179 CG LYS A 72 15.066 4.668 -5.022 1.00 40.33 C ATOM 1180 CD LYS A 72 15.355 5.732 -6.077 1.00 53.32 C ATOM 1181 CE LYS A 72 15.946 5.129 -7.346 1.00 35.04 C ATOM 1182 NZ LYS A 72 16.267 6.167 -8.359 1.00 20.52 N ATOM 0 H LYS A 72 15.228 1.885 -5.096 1.00 12.22 H new ATOM 0 HA LYS A 72 17.064 2.470 -3.150 1.00 13.34 H new ATOM 0 HB2 LYS A 72 16.992 4.766 -4.079 1.00 23.44 H new ATOM 0 HB3 LYS A 72 16.885 3.582 -5.367 1.00 23.44 H new ATOM 0 HG2 LYS A 72 14.405 3.910 -5.442 1.00 40.33 H new ATOM 0 HG3 LYS A 72 14.538 5.122 -4.184 1.00 40.33 H new ATOM 0 HD2 LYS A 72 14.434 6.261 -6.321 1.00 53.32 H new ATOM 0 HD3 LYS A 72 16.047 6.469 -5.669 1.00 53.32 H new ATOM 0 HE2 LYS A 72 16.850 4.574 -7.096 1.00 35.04 H new ATOM 0 HE3 LYS A 72 15.241 4.414 -7.770 1.00 35.04 H new ATOM 0 HZ1 LYS A 72 16.666 5.714 -9.206 1.00 20.52 H new ATOM 0 HZ2 LYS A 72 15.400 6.680 -8.617 1.00 20.52 H new ATOM 0 HZ3 LYS A 72 16.960 6.835 -7.964 1.00 20.52 H new ATOM 1196 N LYS A 73 14.127 3.650 -2.247 1.00 42.13 N ATOM 1197 CA LYS A 73 13.404 4.263 -1.122 1.00 32.43 C ATOM 1198 C LYS A 73 11.967 3.719 -1.026 1.00 41.32 C ATOM 1199 O LYS A 73 11.057 4.388 -0.532 1.00 22.22 O ATOM 1200 CB LYS A 73 13.403 5.795 -1.300 1.00 32.43 C ATOM 1201 CG LYS A 73 12.893 6.581 -0.089 1.00 23.52 C ATOM 1202 CD LYS A 73 13.752 6.344 1.152 1.00 53.20 C ATOM 1203 CE LYS A 73 13.227 7.109 2.366 1.00 14.22 C ATOM 1204 NZ LYS A 73 11.835 6.715 2.718 1.00 0.05 N ATOM 0 H LYS A 73 13.534 3.369 -3.028 1.00 42.13 H new ATOM 0 HA LYS A 73 13.908 4.009 -0.190 1.00 32.43 H new ATOM 0 HB2 LYS A 73 14.418 6.121 -1.526 1.00 32.43 H new ATOM 0 HB3 LYS A 73 12.788 6.046 -2.164 1.00 32.43 H new ATOM 0 HG2 LYS A 73 12.884 7.645 -0.325 1.00 23.52 H new ATOM 0 HG3 LYS A 73 11.863 6.293 0.123 1.00 23.52 H new ATOM 0 HD2 LYS A 73 13.776 5.278 1.378 1.00 53.20 H new ATOM 0 HD3 LYS A 73 14.778 6.650 0.947 1.00 53.20 H new ATOM 0 HE2 LYS A 73 13.881 6.928 3.219 1.00 14.22 H new ATOM 0 HE3 LYS A 73 13.260 8.179 2.161 1.00 14.22 H new ATOM 0 HZ1 LYS A 73 11.643 6.965 3.709 1.00 0.05 H new ATOM 0 HZ2 LYS A 73 11.166 7.215 2.099 1.00 0.05 H new ATOM 0 HZ3 LYS A 73 11.722 5.689 2.592 1.00 0.05 H new ATOM 1218 N GLY A 74 11.771 2.485 -1.484 1.00 73.03 N ATOM 1219 CA GLY A 74 10.436 1.889 -1.500 1.00 41.40 C ATOM 1220 C GLY A 74 9.560 2.409 -2.641 1.00 51.21 C ATOM 1221 O GLY A 74 8.925 1.628 -3.351 1.00 74.21 O ATOM 0 H GLY A 74 12.511 1.883 -1.846 1.00 73.03 H new ATOM 0 HA2 GLY A 74 10.529 0.806 -1.586 1.00 41.40 H new ATOM 0 HA3 GLY A 74 9.943 2.092 -0.550 1.00 41.40 H new ATOM 1225 N VAL A 75 9.518 3.728 -2.809 1.00 12.32 N ATOM 1226 CA VAL A 75 8.787 4.360 -3.911 1.00 71.20 C ATOM 1227 C VAL A 75 9.746 5.131 -4.834 1.00 41.21 C ATOM 1228 O VAL A 75 10.751 5.681 -4.384 1.00 71.10 O ATOM 1229 CB VAL A 75 7.704 5.334 -3.378 1.00 43.22 C ATOM 1230 CG1 VAL A 75 6.933 5.990 -4.525 1.00 65.41 C ATOM 1231 CG2 VAL A 75 6.748 4.609 -2.436 1.00 33.22 C ATOM 0 H VAL A 75 9.987 4.389 -2.190 1.00 12.32 H new ATOM 0 HA VAL A 75 8.303 3.564 -4.476 1.00 71.20 H new ATOM 0 HB VAL A 75 8.210 6.123 -2.821 1.00 43.22 H new ATOM 0 HG11 VAL A 75 6.182 6.667 -4.118 1.00 65.41 H new ATOM 0 HG12 VAL A 75 7.624 6.551 -5.154 1.00 65.41 H new ATOM 0 HG13 VAL A 75 6.443 5.220 -5.121 1.00 65.41 H new ATOM 0 HG21 VAL A 75 5.995 5.309 -2.072 1.00 33.22 H new ATOM 0 HG22 VAL A 75 6.259 3.795 -2.970 1.00 33.22 H new ATOM 0 HG23 VAL A 75 7.306 4.205 -1.591 1.00 33.22 H new ATOM 1241 N SER A 76 9.436 5.154 -6.128 1.00 71.42 N ATOM 1242 CA SER A 76 10.239 5.906 -7.107 1.00 71.43 C ATOM 1243 C SER A 76 9.346 6.686 -8.075 1.00 53.42 C ATOM 1244 O SER A 76 9.676 7.799 -8.490 1.00 44.14 O ATOM 1245 CB SER A 76 11.150 4.959 -7.898 1.00 31.34 C ATOM 1246 OG SER A 76 11.898 5.654 -8.882 1.00 64.23 O ATOM 0 H SER A 76 8.637 4.663 -6.529 1.00 71.42 H new ATOM 0 HA SER A 76 10.853 6.616 -6.552 1.00 71.43 H new ATOM 0 HB2 SER A 76 11.830 4.452 -7.214 1.00 31.34 H new ATOM 0 HB3 SER A 76 10.546 4.188 -8.377 1.00 31.34 H new ATOM 0 HG SER A 76 12.469 5.021 -9.366 1.00 64.23 H new ATOM 1252 N ALA A 77 8.206 6.100 -8.430 1.00 70.34 N ATOM 1253 CA ALA A 77 7.269 6.731 -9.363 1.00 30.21 C ATOM 1254 C ALA A 77 5.811 6.554 -8.910 1.00 61.12 C ATOM 1255 O ALA A 77 5.458 5.538 -8.309 1.00 43.41 O ATOM 1256 CB ALA A 77 7.464 6.152 -10.763 1.00 32.31 C ATOM 0 H ALA A 77 7.906 5.188 -8.087 1.00 70.34 H new ATOM 0 HA ALA A 77 7.479 7.800 -9.380 1.00 30.21 H new ATOM 0 HB1 ALA A 77 6.765 6.625 -11.453 1.00 32.31 H new ATOM 0 HB2 ALA A 77 8.485 6.340 -11.096 1.00 32.31 H new ATOM 0 HB3 ALA A 77 7.282 5.078 -10.741 1.00 32.31 H new ATOM 1262 N TRP A 78 4.978 7.550 -9.193 1.00 11.15 N ATOM 1263 CA TRP A 78 3.544 7.486 -8.883 1.00 24.55 C ATOM 1264 C TRP A 78 2.723 8.343 -9.860 1.00 35.21 C ATOM 1265 O TRP A 78 3.174 9.395 -10.315 1.00 75.31 O ATOM 1266 CB TRP A 78 3.272 7.925 -7.428 1.00 4.45 C ATOM 1267 CG TRP A 78 3.851 9.267 -7.063 1.00 5.14 C ATOM 1268 CD1 TRP A 78 5.054 9.501 -6.463 1.00 0.32 C ATOM 1269 CD2 TRP A 78 3.247 10.554 -7.261 1.00 72.05 C ATOM 1270 NE1 TRP A 78 5.241 10.850 -6.286 1.00 33.05 N ATOM 1271 CE2 TRP A 78 4.147 11.516 -6.765 1.00 63.23 C ATOM 1272 CE3 TRP A 78 2.034 10.987 -7.815 1.00 74.14 C ATOM 1273 CZ2 TRP A 78 3.873 12.882 -6.805 1.00 63.13 C ATOM 1274 CZ3 TRP A 78 1.765 12.343 -7.852 1.00 31.31 C ATOM 1275 CH2 TRP A 78 2.681 13.277 -7.350 1.00 20.42 C ATOM 0 H TRP A 78 5.269 8.420 -9.640 1.00 11.15 H new ATOM 0 HA TRP A 78 3.232 6.448 -8.995 1.00 24.55 H new ATOM 0 HB2 TRP A 78 2.195 7.952 -7.265 1.00 4.45 H new ATOM 0 HB3 TRP A 78 3.678 7.172 -6.752 1.00 4.45 H new ATOM 0 HD1 TRP A 78 5.757 8.736 -6.170 1.00 0.32 H new ATOM 0 HE1 TRP A 78 6.062 11.285 -5.866 1.00 33.05 H new ATOM 0 HE3 TRP A 78 1.323 10.274 -8.206 1.00 74.14 H new ATOM 0 HZ2 TRP A 78 4.577 13.604 -6.419 1.00 63.13 H new ATOM 0 HZ3 TRP A 78 0.833 12.688 -8.275 1.00 31.31 H new ATOM 0 HH2 TRP A 78 2.442 14.329 -7.394 1.00 20.42 H new ATOM 1286 N GLU A 79 1.523 7.876 -10.203 1.00 1.51 N ATOM 1287 CA GLU A 79 0.615 8.640 -11.067 1.00 65.24 C ATOM 1288 C GLU A 79 -0.655 9.042 -10.316 1.00 33.51 C ATOM 1289 O GLU A 79 -1.183 8.279 -9.511 1.00 3.21 O ATOM 1290 CB GLU A 79 0.226 7.836 -12.311 1.00 54.10 C ATOM 1291 CG GLU A 79 1.399 7.443 -13.201 1.00 72.12 C ATOM 1292 CD GLU A 79 0.939 6.862 -14.530 1.00 30.23 C ATOM 1293 OE1 GLU A 79 0.535 7.647 -15.418 1.00 72.32 O ATOM 1294 OE2 GLU A 79 0.962 5.626 -14.688 1.00 43.40 O ATOM 0 H GLU A 79 1.155 6.975 -9.898 1.00 1.51 H new ATOM 0 HA GLU A 79 1.150 9.539 -11.374 1.00 65.24 H new ATOM 0 HB2 GLU A 79 -0.294 6.931 -11.996 1.00 54.10 H new ATOM 0 HB3 GLU A 79 -0.481 8.421 -12.900 1.00 54.10 H new ATOM 0 HG2 GLU A 79 2.023 8.318 -13.385 1.00 72.12 H new ATOM 0 HG3 GLU A 79 2.019 6.712 -12.681 1.00 72.12 H new ATOM 1301 N GLU A 80 -1.149 10.236 -10.609 1.00 74.53 N ATOM 1302 CA GLU A 80 -2.355 10.769 -9.966 1.00 3.12 C ATOM 1303 C GLU A 80 -3.566 10.619 -10.900 1.00 62.43 C ATOM 1304 O GLU A 80 -3.828 11.480 -11.744 1.00 24.55 O ATOM 1305 CB GLU A 80 -2.121 12.245 -9.602 1.00 4.22 C ATOM 1306 CG GLU A 80 -3.250 12.903 -8.813 1.00 12.10 C ATOM 1307 CD GLU A 80 -2.976 14.376 -8.539 1.00 30.01 C ATOM 1308 OE1 GLU A 80 -3.120 15.193 -9.471 1.00 53.55 O ATOM 1309 OE2 GLU A 80 -2.593 14.726 -7.403 1.00 51.12 O ATOM 0 H GLU A 80 -0.732 10.865 -11.295 1.00 74.53 H new ATOM 0 HA GLU A 80 -2.564 10.208 -9.055 1.00 3.12 H new ATOM 0 HB2 GLU A 80 -1.202 12.319 -9.021 1.00 4.22 H new ATOM 0 HB3 GLU A 80 -1.964 12.809 -10.521 1.00 4.22 H new ATOM 0 HG2 GLU A 80 -4.183 12.806 -9.367 1.00 12.10 H new ATOM 0 HG3 GLU A 80 -3.385 12.378 -7.867 1.00 12.10 H new ATOM 1316 N VAL A 81 -4.286 9.504 -10.769 1.00 42.34 N ATOM 1317 CA VAL A 81 -5.409 9.197 -11.668 1.00 32.33 C ATOM 1318 C VAL A 81 -6.767 9.226 -10.943 1.00 74.10 C ATOM 1319 O VAL A 81 -6.841 9.413 -9.730 1.00 64.12 O ATOM 1320 CB VAL A 81 -5.225 7.819 -12.365 1.00 42.55 C ATOM 1321 CG1 VAL A 81 -3.932 7.791 -13.179 1.00 75.33 C ATOM 1322 CG2 VAL A 81 -5.252 6.674 -11.351 1.00 33.40 C ATOM 0 H VAL A 81 -4.116 8.798 -10.053 1.00 42.34 H new ATOM 0 HA VAL A 81 -5.409 9.982 -12.424 1.00 32.33 H new ATOM 0 HB VAL A 81 -6.063 7.678 -13.048 1.00 42.55 H new ATOM 0 HG11 VAL A 81 -3.824 6.818 -13.658 1.00 75.33 H new ATOM 0 HG12 VAL A 81 -3.965 8.569 -13.942 1.00 75.33 H new ATOM 0 HG13 VAL A 81 -3.083 7.967 -12.519 1.00 75.33 H new ATOM 0 HG21 VAL A 81 -5.121 5.725 -11.870 1.00 33.40 H new ATOM 0 HG22 VAL A 81 -4.446 6.807 -10.630 1.00 33.40 H new ATOM 0 HG23 VAL A 81 -6.209 6.673 -10.829 1.00 33.40 H new ATOM 1332 N LYS A 82 -7.839 9.039 -11.708 1.00 51.42 N ATOM 1333 CA LYS A 82 -9.211 9.103 -11.181 1.00 41.11 C ATOM 1334 C LYS A 82 -9.963 7.771 -11.361 1.00 10.03 C ATOM 1335 O LYS A 82 -9.493 6.870 -12.057 1.00 3.13 O ATOM 1336 CB LYS A 82 -9.965 10.243 -11.881 1.00 64.43 C ATOM 1337 CG LYS A 82 -9.764 10.269 -13.398 1.00 74.33 C ATOM 1338 CD LYS A 82 -10.484 11.444 -14.056 1.00 21.01 C ATOM 1339 CE LYS A 82 -10.051 12.784 -13.468 1.00 10.24 C ATOM 1340 NZ LYS A 82 -10.835 13.912 -14.033 1.00 75.41 N ATOM 0 H LYS A 82 -7.788 8.839 -12.707 1.00 51.42 H new ATOM 0 HA LYS A 82 -9.157 9.294 -10.109 1.00 41.11 H new ATOM 0 HB2 LYS A 82 -11.029 10.150 -11.665 1.00 64.43 H new ATOM 0 HB3 LYS A 82 -9.637 11.195 -11.463 1.00 64.43 H new ATOM 0 HG2 LYS A 82 -8.699 10.327 -13.621 1.00 74.33 H new ATOM 0 HG3 LYS A 82 -10.128 9.336 -13.827 1.00 74.33 H new ATOM 0 HD2 LYS A 82 -10.284 11.437 -15.127 1.00 21.01 H new ATOM 0 HD3 LYS A 82 -11.560 11.325 -13.932 1.00 21.01 H new ATOM 0 HE2 LYS A 82 -10.173 12.763 -12.385 1.00 10.24 H new ATOM 0 HE3 LYS A 82 -8.991 12.943 -13.666 1.00 10.24 H new ATOM 0 HZ1 LYS A 82 -10.512 14.805 -13.610 1.00 75.41 H new ATOM 0 HZ2 LYS A 82 -10.698 13.948 -15.063 1.00 75.41 H new ATOM 0 HZ3 LYS A 82 -11.844 13.774 -13.822 1.00 75.41 H new ATOM 1354 N LYS A 83 -11.141 7.659 -10.736 1.00 31.14 N ATOM 1355 CA LYS A 83 -11.975 6.445 -10.845 1.00 22.03 C ATOM 1356 C LYS A 83 -12.398 6.161 -12.299 1.00 24.42 C ATOM 1357 O LYS A 83 -12.740 5.031 -12.648 1.00 0.22 O ATOM 1358 CB LYS A 83 -13.223 6.541 -9.942 1.00 0.44 C ATOM 1359 CG LYS A 83 -14.279 7.561 -10.383 1.00 54.02 C ATOM 1360 CD LYS A 83 -13.836 9.006 -10.158 1.00 55.42 C ATOM 1361 CE LYS A 83 -14.937 9.998 -10.522 1.00 64.35 C ATOM 1362 NZ LYS A 83 -16.160 9.809 -9.695 1.00 44.13 N ATOM 0 H LYS A 83 -11.542 8.390 -10.149 1.00 31.14 H new ATOM 0 HA LYS A 83 -11.358 5.613 -10.506 1.00 22.03 H new ATOM 0 HB2 LYS A 83 -13.691 5.558 -9.893 1.00 0.44 H new ATOM 0 HB3 LYS A 83 -12.901 6.792 -8.931 1.00 0.44 H new ATOM 0 HG2 LYS A 83 -14.500 7.414 -11.440 1.00 54.02 H new ATOM 0 HG3 LYS A 83 -15.204 7.380 -9.835 1.00 54.02 H new ATOM 0 HD2 LYS A 83 -13.555 9.142 -9.114 1.00 55.42 H new ATOM 0 HD3 LYS A 83 -12.949 9.212 -10.756 1.00 55.42 H new ATOM 0 HE2 LYS A 83 -14.566 11.014 -10.391 1.00 64.35 H new ATOM 0 HE3 LYS A 83 -15.192 9.885 -11.576 1.00 64.35 H new ATOM 0 HZ1 LYS A 83 -16.775 10.642 -9.789 1.00 44.13 H new ATOM 0 HZ2 LYS A 83 -16.671 8.963 -10.019 1.00 44.13 H new ATOM 0 HZ3 LYS A 83 -15.890 9.689 -8.698 1.00 44.13 H new ATOM 1376 N ASP A 84 -12.378 7.192 -13.141 1.00 23.11 N ATOM 1377 CA ASP A 84 -12.638 7.030 -14.577 1.00 11.20 C ATOM 1378 C ASP A 84 -11.593 6.098 -15.221 1.00 54.24 C ATOM 1379 O ASP A 84 -11.843 5.473 -16.258 1.00 22.14 O ATOM 1380 CB ASP A 84 -12.625 8.401 -15.255 1.00 33.22 C ATOM 1381 CG ASP A 84 -13.588 9.368 -14.588 1.00 75.22 C ATOM 1382 OD1 ASP A 84 -13.273 9.855 -13.482 1.00 13.14 O ATOM 1383 OD2 ASP A 84 -14.664 9.639 -15.159 1.00 62.14 O ATOM 0 H ASP A 84 -12.184 8.152 -12.857 1.00 23.11 H new ATOM 0 HA ASP A 84 -13.619 6.573 -14.710 1.00 11.20 H new ATOM 0 HB2 ASP A 84 -11.616 8.813 -15.224 1.00 33.22 H new ATOM 0 HB3 ASP A 84 -12.891 8.290 -16.306 1.00 33.22 H new ATOM 1388 N GLU A 85 -10.424 6.011 -14.589 1.00 23.14 N ATOM 1389 CA GLU A 85 -9.366 5.087 -15.009 1.00 63.14 C ATOM 1390 C GLU A 85 -9.560 3.701 -14.374 1.00 32.23 C ATOM 1391 O GLU A 85 -9.562 2.678 -15.064 1.00 54.24 O ATOM 1392 CB GLU A 85 -7.992 5.646 -14.608 1.00 51.23 C ATOM 1393 CG GLU A 85 -7.646 6.978 -15.262 1.00 3.42 C ATOM 1394 CD GLU A 85 -7.485 6.861 -16.768 1.00 62.11 C ATOM 1395 OE1 GLU A 85 -6.418 6.392 -17.216 1.00 31.14 O ATOM 1396 OE2 GLU A 85 -8.423 7.223 -17.509 1.00 5.53 O ATOM 0 H GLU A 85 -10.182 6.575 -13.775 1.00 23.14 H new ATOM 0 HA GLU A 85 -9.418 4.983 -16.093 1.00 63.14 H new ATOM 0 HB2 GLU A 85 -7.963 5.767 -13.525 1.00 51.23 H new ATOM 0 HB3 GLU A 85 -7.225 4.916 -14.868 1.00 51.23 H new ATOM 0 HG2 GLU A 85 -8.429 7.703 -15.039 1.00 3.42 H new ATOM 0 HG3 GLU A 85 -6.722 7.363 -14.830 1.00 3.42 H new ATOM 1403 N LEU A 86 -9.732 3.684 -13.054 1.00 64.55 N ATOM 1404 CA LEU A 86 -9.870 2.436 -12.293 1.00 11.41 C ATOM 1405 C LEU A 86 -11.348 2.043 -12.100 1.00 71.15 C ATOM 1406 O LEU A 86 -12.098 2.743 -11.418 1.00 0.33 O ATOM 1407 CB LEU A 86 -9.194 2.592 -10.923 1.00 42.44 C ATOM 1408 CG LEU A 86 -7.709 2.983 -10.965 1.00 11.05 C ATOM 1409 CD1 LEU A 86 -7.162 3.164 -9.554 1.00 1.51 C ATOM 1410 CD2 LEU A 86 -6.898 1.944 -11.732 1.00 43.21 C ATOM 0 H LEU A 86 -9.780 4.527 -12.481 1.00 64.55 H new ATOM 0 HA LEU A 86 -9.386 1.642 -12.862 1.00 11.41 H new ATOM 0 HB2 LEU A 86 -9.736 3.347 -10.353 1.00 42.44 H new ATOM 0 HB3 LEU A 86 -9.290 1.652 -10.380 1.00 42.44 H new ATOM 0 HG LEU A 86 -7.621 3.935 -11.489 1.00 11.05 H new ATOM 0 HD11 LEU A 86 -6.109 3.441 -9.605 1.00 1.51 H new ATOM 0 HD12 LEU A 86 -7.720 3.950 -9.046 1.00 1.51 H new ATOM 0 HD13 LEU A 86 -7.266 2.230 -9.001 1.00 1.51 H new ATOM 0 HD21 LEU A 86 -5.849 2.241 -11.749 1.00 43.21 H new ATOM 0 HD22 LEU A 86 -6.993 0.975 -11.242 1.00 43.21 H new ATOM 0 HD23 LEU A 86 -7.272 1.872 -12.753 1.00 43.21 H new ATOM 1422 N PRO A 87 -11.784 0.909 -12.686 1.00 31.42 N ATOM 1423 CA PRO A 87 -13.184 0.454 -12.584 1.00 11.35 C ATOM 1424 C PRO A 87 -13.600 0.102 -11.143 1.00 45.52 C ATOM 1425 O PRO A 87 -12.753 -0.144 -10.278 1.00 61.03 O ATOM 1426 CB PRO A 87 -13.219 -0.798 -13.476 1.00 54.54 C ATOM 1427 CG PRO A 87 -11.803 -1.265 -13.536 1.00 54.52 C ATOM 1428 CD PRO A 87 -10.958 -0.020 -13.479 1.00 60.02 C ATOM 0 HA PRO A 87 -13.881 1.235 -12.888 1.00 11.35 H new ATOM 0 HB2 PRO A 87 -13.871 -1.564 -13.056 1.00 54.54 H new ATOM 0 HB3 PRO A 87 -13.601 -0.565 -14.470 1.00 54.54 H new ATOM 0 HG2 PRO A 87 -11.575 -1.931 -12.704 1.00 54.52 H new ATOM 0 HG3 PRO A 87 -11.614 -1.824 -14.452 1.00 54.52 H new ATOM 0 HD2 PRO A 87 -9.995 -0.208 -13.005 1.00 60.02 H new ATOM 0 HD3 PRO A 87 -10.752 0.373 -14.474 1.00 60.02 H new ATOM 1436 N ALA A 88 -14.912 0.042 -10.909 1.00 4.30 N ATOM 1437 CA ALA A 88 -15.472 -0.246 -9.577 1.00 13.14 C ATOM 1438 C ALA A 88 -14.891 -1.529 -8.955 1.00 70.14 C ATOM 1439 O ALA A 88 -14.923 -1.705 -7.736 1.00 25.20 O ATOM 1440 CB ALA A 88 -16.991 -0.344 -9.661 1.00 44.43 C ATOM 0 H ALA A 88 -15.618 0.190 -11.630 1.00 4.30 H new ATOM 0 HA ALA A 88 -15.191 0.580 -8.924 1.00 13.14 H new ATOM 0 HB1 ALA A 88 -17.397 -0.557 -8.672 1.00 44.43 H new ATOM 0 HB2 ALA A 88 -17.397 0.600 -10.024 1.00 44.43 H new ATOM 0 HB3 ALA A 88 -17.267 -1.145 -10.347 1.00 44.43 H new ATOM 1446 N LYS A 89 -14.352 -2.412 -9.803 1.00 4.53 N ATOM 1447 CA LYS A 89 -13.682 -3.645 -9.350 1.00 34.41 C ATOM 1448 C LYS A 89 -12.721 -3.376 -8.178 1.00 22.42 C ATOM 1449 O LYS A 89 -12.539 -4.226 -7.304 1.00 10.23 O ATOM 1450 CB LYS A 89 -12.914 -4.292 -10.523 1.00 62.41 C ATOM 1451 CG LYS A 89 -13.742 -5.217 -11.427 1.00 63.41 C ATOM 1452 CD LYS A 89 -15.052 -4.586 -11.920 1.00 61.43 C ATOM 1453 CE LYS A 89 -16.229 -4.920 -11.000 1.00 55.12 C ATOM 1454 NZ LYS A 89 -17.510 -4.347 -11.482 1.00 22.54 N ATOM 0 H LYS A 89 -14.365 -2.297 -10.816 1.00 4.53 H new ATOM 0 HA LYS A 89 -14.453 -4.329 -8.997 1.00 34.41 H new ATOM 0 HB2 LYS A 89 -12.489 -3.498 -11.137 1.00 62.41 H new ATOM 0 HB3 LYS A 89 -12.079 -4.863 -10.117 1.00 62.41 H new ATOM 0 HG2 LYS A 89 -13.139 -5.503 -12.289 1.00 63.41 H new ATOM 0 HG3 LYS A 89 -13.972 -6.132 -10.882 1.00 63.41 H new ATOM 0 HD2 LYS A 89 -14.934 -3.504 -11.980 1.00 61.43 H new ATOM 0 HD3 LYS A 89 -15.268 -4.939 -12.928 1.00 61.43 H new ATOM 0 HE2 LYS A 89 -16.327 -6.003 -10.920 1.00 55.12 H new ATOM 0 HE3 LYS A 89 -16.021 -4.544 -9.998 1.00 55.12 H new ATOM 0 HZ1 LYS A 89 -18.063 -4.002 -10.671 1.00 22.54 H new ATOM 0 HZ2 LYS A 89 -17.315 -3.557 -12.130 1.00 22.54 H new ATOM 0 HZ3 LYS A 89 -18.051 -5.080 -11.983 1.00 22.54 H new ATOM 1468 N VAL A 90 -12.119 -2.189 -8.164 1.00 62.22 N ATOM 1469 CA VAL A 90 -11.239 -1.777 -7.066 1.00 15.35 C ATOM 1470 C VAL A 90 -11.994 -1.748 -5.721 1.00 30.11 C ATOM 1471 O VAL A 90 -11.651 -2.473 -4.791 1.00 60.15 O ATOM 1472 CB VAL A 90 -10.613 -0.381 -7.337 1.00 0.12 C ATOM 1473 CG1 VAL A 90 -9.703 0.051 -6.183 1.00 60.51 C ATOM 1474 CG2 VAL A 90 -9.847 -0.385 -8.660 1.00 10.11 C ATOM 0 H VAL A 90 -12.223 -1.492 -8.901 1.00 62.22 H new ATOM 0 HA VAL A 90 -10.441 -2.517 -7.006 1.00 15.35 H new ATOM 0 HB VAL A 90 -11.424 0.344 -7.410 1.00 0.12 H new ATOM 0 HG11 VAL A 90 -9.279 1.031 -6.401 1.00 60.51 H new ATOM 0 HG12 VAL A 90 -10.283 0.103 -5.262 1.00 60.51 H new ATOM 0 HG13 VAL A 90 -8.898 -0.674 -6.064 1.00 60.51 H new ATOM 0 HG21 VAL A 90 -9.415 0.601 -8.833 1.00 10.11 H new ATOM 0 HG22 VAL A 90 -9.050 -1.128 -8.617 1.00 10.11 H new ATOM 0 HG23 VAL A 90 -10.529 -0.631 -9.474 1.00 10.11 H new ATOM 1484 N LYS A 91 -13.047 -0.934 -5.640 1.00 61.51 N ATOM 1485 CA LYS A 91 -13.799 -0.762 -4.386 1.00 12.50 C ATOM 1486 C LYS A 91 -14.698 -1.973 -4.071 1.00 30.13 C ATOM 1487 O LYS A 91 -15.028 -2.224 -2.908 1.00 4.33 O ATOM 1488 CB LYS A 91 -14.643 0.522 -4.437 1.00 35.04 C ATOM 1489 CG LYS A 91 -13.812 1.795 -4.595 1.00 32.05 C ATOM 1490 CD LYS A 91 -14.645 3.057 -4.367 1.00 2.13 C ATOM 1491 CE LYS A 91 -13.801 4.325 -4.504 1.00 64.23 C ATOM 1492 NZ LYS A 91 -14.520 5.537 -4.015 1.00 64.40 N ATOM 0 H LYS A 91 -13.401 -0.383 -6.422 1.00 61.51 H new ATOM 0 HA LYS A 91 -13.066 -0.682 -3.583 1.00 12.50 H new ATOM 0 HB2 LYS A 91 -15.346 0.452 -5.267 1.00 35.04 H new ATOM 0 HB3 LYS A 91 -15.234 0.595 -3.524 1.00 35.04 H new ATOM 0 HG2 LYS A 91 -12.982 1.776 -3.888 1.00 32.05 H new ATOM 0 HG3 LYS A 91 -13.379 1.823 -5.595 1.00 32.05 H new ATOM 0 HD2 LYS A 91 -15.465 3.086 -5.085 1.00 2.13 H new ATOM 0 HD3 LYS A 91 -15.092 3.023 -3.374 1.00 2.13 H new ATOM 0 HE2 LYS A 91 -12.874 4.204 -3.944 1.00 64.23 H new ATOM 0 HE3 LYS A 91 -13.526 4.465 -5.549 1.00 64.23 H new ATOM 0 HZ1 LYS A 91 -13.910 6.372 -4.127 1.00 64.40 H new ATOM 0 HZ2 LYS A 91 -15.392 5.669 -4.566 1.00 64.40 H new ATOM 0 HZ3 LYS A 91 -14.760 5.416 -3.010 1.00 64.40 H new ATOM 1506 N GLU A 92 -15.100 -2.718 -5.102 1.00 3.35 N ATOM 1507 CA GLU A 92 -15.957 -3.898 -4.917 1.00 2.10 C ATOM 1508 C GLU A 92 -15.157 -5.131 -4.462 1.00 54.43 C ATOM 1509 O GLU A 92 -15.568 -5.841 -3.544 1.00 62.32 O ATOM 1510 CB GLU A 92 -16.725 -4.215 -6.211 1.00 24.00 C ATOM 1511 CG GLU A 92 -17.664 -3.098 -6.658 1.00 22.20 C ATOM 1512 CD GLU A 92 -18.547 -3.492 -7.834 1.00 73.33 C ATOM 1513 OE1 GLU A 92 -18.060 -3.485 -8.981 1.00 0.11 O ATOM 1514 OE2 GLU A 92 -19.740 -3.801 -7.616 1.00 72.23 O ATOM 0 H GLU A 92 -14.849 -2.529 -6.072 1.00 3.35 H new ATOM 0 HA GLU A 92 -16.667 -3.657 -4.126 1.00 2.10 H new ATOM 0 HB2 GLU A 92 -16.009 -4.416 -7.008 1.00 24.00 H new ATOM 0 HB3 GLU A 92 -17.304 -5.127 -6.065 1.00 24.00 H new ATOM 0 HG2 GLU A 92 -18.296 -2.806 -5.819 1.00 22.20 H new ATOM 0 HG3 GLU A 92 -17.074 -2.224 -6.932 1.00 22.20 H new ATOM 1521 N LYS A 93 -14.014 -5.388 -5.101 1.00 50.22 N ATOM 1522 CA LYS A 93 -13.192 -6.556 -4.764 1.00 14.13 C ATOM 1523 C LYS A 93 -12.100 -6.206 -3.739 1.00 3.33 C ATOM 1524 O LYS A 93 -12.074 -6.767 -2.641 1.00 63.03 O ATOM 1525 CB LYS A 93 -12.558 -7.162 -6.031 1.00 41.10 C ATOM 1526 CG LYS A 93 -13.512 -8.008 -6.880 1.00 71.43 C ATOM 1527 CD LYS A 93 -14.690 -7.202 -7.426 1.00 54.32 C ATOM 1528 CE LYS A 93 -15.626 -8.067 -8.264 1.00 2.42 C ATOM 1529 NZ LYS A 93 -16.228 -9.178 -7.476 1.00 4.42 N ATOM 0 H LYS A 93 -13.637 -4.808 -5.850 1.00 50.22 H new ATOM 0 HA LYS A 93 -13.851 -7.296 -4.311 1.00 14.13 H new ATOM 0 HB2 LYS A 93 -12.165 -6.353 -6.647 1.00 41.10 H new ATOM 0 HB3 LYS A 93 -11.710 -7.780 -5.737 1.00 41.10 H new ATOM 0 HG2 LYS A 93 -12.960 -8.446 -7.712 1.00 71.43 H new ATOM 0 HG3 LYS A 93 -13.891 -8.835 -6.279 1.00 71.43 H new ATOM 0 HD2 LYS A 93 -15.245 -6.762 -6.597 1.00 54.32 H new ATOM 0 HD3 LYS A 93 -14.316 -6.377 -8.033 1.00 54.32 H new ATOM 0 HE2 LYS A 93 -16.421 -7.445 -8.676 1.00 2.42 H new ATOM 0 HE3 LYS A 93 -15.075 -8.481 -9.109 1.00 2.42 H new ATOM 0 HZ1 LYS A 93 -17.002 -9.610 -8.020 1.00 4.42 H new ATOM 0 HZ2 LYS A 93 -15.502 -9.895 -7.277 1.00 4.42 H new ATOM 0 HZ3 LYS A 93 -16.601 -8.805 -6.580 1.00 4.42 H new ATOM 1543 N LEU A 94 -11.210 -5.279 -4.101 1.00 23.32 N ATOM 1544 CA LEU A 94 -10.075 -4.900 -3.236 1.00 13.44 C ATOM 1545 C LEU A 94 -9.160 -3.897 -3.958 1.00 11.44 C ATOM 1546 O LEU A 94 -8.708 -2.916 -3.372 1.00 34.35 O ATOM 1547 CB LEU A 94 -9.264 -6.156 -2.831 1.00 23.31 C ATOM 1548 CG LEU A 94 -8.393 -6.037 -1.558 1.00 1.32 C ATOM 1549 CD1 LEU A 94 -7.914 -7.417 -1.111 1.00 45.11 C ATOM 1550 CD2 LEU A 94 -7.193 -5.114 -1.772 1.00 42.01 C ATOM 0 H LEU A 94 -11.248 -4.773 -4.986 1.00 23.32 H new ATOM 0 HA LEU A 94 -10.472 -4.429 -2.336 1.00 13.44 H new ATOM 0 HB2 LEU A 94 -9.962 -6.981 -2.690 1.00 23.31 H new ATOM 0 HB3 LEU A 94 -8.615 -6.426 -3.664 1.00 23.31 H new ATOM 0 HG LEU A 94 -9.016 -5.599 -0.778 1.00 1.32 H new ATOM 0 HD11 LEU A 94 -7.302 -7.317 -0.214 1.00 45.11 H new ATOM 0 HD12 LEU A 94 -8.776 -8.049 -0.894 1.00 45.11 H new ATOM 0 HD13 LEU A 94 -7.322 -7.871 -1.905 1.00 45.11 H new ATOM 0 HD21 LEU A 94 -6.608 -5.059 -0.854 1.00 42.01 H new ATOM 0 HD22 LEU A 94 -6.570 -5.507 -2.576 1.00 42.01 H new ATOM 0 HD23 LEU A 94 -7.544 -4.117 -2.039 1.00 42.01 H new ATOM 1562 N GLY A 95 -8.907 -4.154 -5.242 1.00 30.33 N ATOM 1563 CA GLY A 95 -7.945 -3.361 -6.006 1.00 13.51 C ATOM 1564 C GLY A 95 -6.810 -4.219 -6.551 1.00 35.21 C ATOM 1565 O GLY A 95 -6.045 -3.791 -7.414 1.00 3.32 O ATOM 0 H GLY A 95 -9.353 -4.902 -5.773 1.00 30.33 H new ATOM 0 HA2 GLY A 95 -8.456 -2.867 -6.832 1.00 13.51 H new ATOM 0 HA3 GLY A 95 -7.535 -2.576 -5.370 1.00 13.51 H new ATOM 1569 N VAL A 96 -6.712 -5.439 -6.027 1.00 73.13 N ATOM 1570 CA VAL A 96 -5.720 -6.418 -6.476 1.00 71.43 C ATOM 1571 C VAL A 96 -5.868 -6.752 -7.971 1.00 31.25 C ATOM 1572 O VAL A 96 -6.956 -6.665 -8.540 1.00 62.14 O ATOM 1573 CB VAL A 96 -5.835 -7.725 -5.653 1.00 33.24 C ATOM 1574 CG1 VAL A 96 -5.459 -7.481 -4.191 1.00 43.24 C ATOM 1575 CG2 VAL A 96 -7.249 -8.305 -5.759 1.00 15.24 C ATOM 0 H VAL A 96 -7.317 -5.778 -5.279 1.00 73.13 H new ATOM 0 HA VAL A 96 -4.741 -5.965 -6.322 1.00 71.43 H new ATOM 0 HB VAL A 96 -5.135 -8.451 -6.066 1.00 33.24 H new ATOM 0 HG11 VAL A 96 -5.547 -8.413 -3.632 1.00 43.24 H new ATOM 0 HG12 VAL A 96 -4.432 -7.120 -4.135 1.00 43.24 H new ATOM 0 HG13 VAL A 96 -6.129 -6.736 -3.762 1.00 43.24 H new ATOM 0 HG21 VAL A 96 -7.311 -9.223 -5.174 1.00 15.24 H new ATOM 0 HG22 VAL A 96 -7.969 -7.582 -5.376 1.00 15.24 H new ATOM 0 HG23 VAL A 96 -7.475 -8.524 -6.803 1.00 15.24 H new ATOM 1585 N LYS A 97 -4.762 -7.144 -8.599 1.00 4.13 N ATOM 1586 CA LYS A 97 -4.761 -7.500 -10.022 1.00 12.32 C ATOM 1587 C LYS A 97 -5.074 -8.996 -10.216 1.00 12.21 C ATOM 1588 O LYS A 97 -4.429 -9.859 -9.618 1.00 41.21 O ATOM 1589 CB LYS A 97 -3.399 -7.151 -10.648 1.00 41.43 C ATOM 1590 CG LYS A 97 -2.933 -5.727 -10.333 1.00 33.32 C ATOM 1591 CD LYS A 97 -3.851 -4.656 -10.935 1.00 44.11 C ATOM 1592 CE LYS A 97 -3.363 -4.160 -12.296 1.00 23.24 C ATOM 1593 NZ LYS A 97 -3.255 -5.252 -13.295 1.00 4.03 N ATOM 0 H LYS A 97 -3.851 -7.224 -8.147 1.00 4.13 H new ATOM 0 HA LYS A 97 -5.541 -6.926 -10.523 1.00 12.32 H new ATOM 0 HB2 LYS A 97 -2.651 -7.858 -10.290 1.00 41.43 H new ATOM 0 HB3 LYS A 97 -3.462 -7.274 -11.729 1.00 41.43 H new ATOM 0 HG2 LYS A 97 -2.888 -5.595 -9.252 1.00 33.32 H new ATOM 0 HG3 LYS A 97 -1.921 -5.588 -10.714 1.00 33.32 H new ATOM 0 HD2 LYS A 97 -4.857 -5.062 -11.040 1.00 44.11 H new ATOM 0 HD3 LYS A 97 -3.918 -3.813 -10.248 1.00 44.11 H new ATOM 0 HE2 LYS A 97 -4.048 -3.398 -12.668 1.00 23.24 H new ATOM 0 HE3 LYS A 97 -2.390 -3.683 -12.178 1.00 23.24 H new ATOM 0 HZ1 LYS A 97 -3.069 -4.846 -14.234 1.00 4.03 H new ATOM 0 HZ2 LYS A 97 -2.475 -5.887 -13.032 1.00 4.03 H new ATOM 0 HZ3 LYS A 97 -4.145 -5.789 -13.320 1.00 4.03 H new ATOM 1607 N LEU A 98 -6.071 -9.295 -11.047 1.00 72.24 N ATOM 1608 CA LEU A 98 -6.487 -10.682 -11.298 1.00 50.45 C ATOM 1609 C LEU A 98 -6.793 -10.908 -12.791 1.00 25.23 C ATOM 1610 O LEU A 98 -7.940 -10.823 -13.233 1.00 64.45 O ATOM 1611 CB LEU A 98 -7.703 -11.066 -10.421 1.00 73.10 C ATOM 1612 CG LEU A 98 -8.976 -10.201 -10.582 1.00 22.54 C ATOM 1613 CD1 LEU A 98 -10.172 -10.882 -9.923 1.00 23.11 C ATOM 1614 CD2 LEU A 98 -8.781 -8.804 -9.992 1.00 13.30 C ATOM 0 H LEU A 98 -6.609 -8.597 -11.561 1.00 72.24 H new ATOM 0 HA LEU A 98 -5.656 -11.332 -11.024 1.00 50.45 H new ATOM 0 HB2 LEU A 98 -7.965 -12.102 -10.638 1.00 73.10 H new ATOM 0 HB3 LEU A 98 -7.395 -11.027 -9.376 1.00 73.10 H new ATOM 0 HG LEU A 98 -9.169 -10.095 -11.650 1.00 22.54 H new ATOM 0 HD11 LEU A 98 -11.058 -10.260 -10.046 1.00 23.11 H new ATOM 0 HD12 LEU A 98 -10.342 -11.852 -10.391 1.00 23.11 H new ATOM 0 HD13 LEU A 98 -9.971 -11.022 -8.861 1.00 23.11 H new ATOM 0 HD21 LEU A 98 -9.694 -8.223 -10.122 1.00 13.30 H new ATOM 0 HD22 LEU A 98 -8.552 -8.886 -8.930 1.00 13.30 H new ATOM 0 HD23 LEU A 98 -7.958 -8.305 -10.503 1.00 13.30 H new ATOM 1626 N GLU A 99 -5.753 -11.192 -13.570 1.00 43.14 N ATOM 1627 CA GLU A 99 -5.900 -11.297 -15.030 1.00 3.11 C ATOM 1628 C GLU A 99 -4.908 -12.289 -15.662 1.00 61.12 C ATOM 1629 O GLU A 99 -5.183 -12.844 -16.730 1.00 60.23 O ATOM 1630 CB GLU A 99 -5.727 -9.904 -15.650 1.00 43.33 C ATOM 1631 CG GLU A 99 -4.395 -9.241 -15.305 1.00 12.22 C ATOM 1632 CD GLU A 99 -4.407 -7.738 -15.538 1.00 62.21 C ATOM 1633 OE1 GLU A 99 -4.104 -7.297 -16.666 1.00 30.04 O ATOM 1634 OE2 GLU A 99 -4.721 -6.994 -14.586 1.00 15.42 O ATOM 0 H GLU A 99 -4.806 -11.353 -13.226 1.00 43.14 H new ATOM 0 HA GLU A 99 -6.897 -11.686 -15.237 1.00 3.11 H new ATOM 0 HB2 GLU A 99 -5.813 -9.985 -16.734 1.00 43.33 H new ATOM 0 HB3 GLU A 99 -6.541 -9.262 -15.313 1.00 43.33 H new ATOM 0 HG2 GLU A 99 -4.155 -9.440 -14.261 1.00 12.22 H new ATOM 0 HG3 GLU A 99 -3.604 -9.691 -15.905 1.00 12.22 H new ATOM 1641 N HIS A 100 -3.756 -12.500 -15.013 1.00 40.01 N ATOM 1642 CA HIS A 100 -2.712 -13.396 -15.537 1.00 43.44 C ATOM 1643 C HIS A 100 -2.181 -12.874 -16.889 1.00 25.25 C ATOM 1644 O HIS A 100 -1.682 -13.634 -17.721 1.00 5.11 O ATOM 1645 CB HIS A 100 -3.270 -14.831 -15.665 1.00 12.02 C ATOM 1646 CG HIS A 100 -2.259 -15.861 -16.088 1.00 24.11 C ATOM 1647 ND1 HIS A 100 -2.321 -16.527 -17.293 1.00 32.12 N ATOM 1648 CD2 HIS A 100 -1.165 -16.351 -15.453 1.00 22.51 C ATOM 1649 CE1 HIS A 100 -1.319 -17.377 -17.382 1.00 42.52 C ATOM 1650 NE2 HIS A 100 -0.602 -17.292 -16.281 1.00 75.53 N ATOM 0 H HIS A 100 -3.521 -12.062 -14.122 1.00 40.01 H new ATOM 0 HA HIS A 100 -1.873 -13.417 -14.841 1.00 43.44 H new ATOM 0 HB2 HIS A 100 -3.693 -15.129 -14.706 1.00 12.02 H new ATOM 0 HB3 HIS A 100 -4.087 -14.826 -16.386 1.00 12.02 H new ATOM 0 HD2 HIS A 100 -0.804 -16.057 -14.479 1.00 22.51 H new ATOM 0 HE1 HIS A 100 -1.119 -18.033 -18.217 1.00 42.52 H new ATOM 0 HE2 HIS A 100 0.236 -17.837 -16.076 1.00 75.53 H new ATOM 1659 N HIS A 101 -2.267 -11.556 -17.080 1.00 5.44 N ATOM 1660 CA HIS A 101 -1.867 -10.920 -18.337 1.00 11.50 C ATOM 1661 C HIS A 101 -0.360 -10.619 -18.360 1.00 62.30 C ATOM 1662 O HIS A 101 0.110 -9.706 -17.681 1.00 74.13 O ATOM 1663 CB HIS A 101 -2.665 -9.621 -18.552 1.00 4.52 C ATOM 1664 CG HIS A 101 -2.520 -9.026 -19.926 1.00 43.44 C ATOM 1665 ND1 HIS A 101 -1.425 -8.776 -20.685 1.00 1.21 N flip ATOM 1666 CD2 HIS A 101 -3.598 -8.610 -20.677 1.00 61.54 C flip ATOM 1667 CE1 HIS A 101 -1.862 -8.227 -21.863 1.00 34.51 C flip ATOM 1668 NE2 HIS A 101 -3.175 -8.139 -21.832 1.00 64.34 N flip ATOM 0 H HIS A 101 -2.612 -10.905 -16.375 1.00 5.44 H new ATOM 0 HA HIS A 101 -2.085 -11.616 -19.147 1.00 11.50 H new ATOM 0 HB2 HIS A 101 -3.720 -9.821 -18.365 1.00 4.52 H new ATOM 0 HB3 HIS A 101 -2.345 -8.885 -17.814 1.00 4.52 H new ATOM 0 HD2 HIS A 101 -4.631 -8.662 -20.366 1.00 61.54 H new ATOM 0 HE1 HIS A 101 -1.231 -7.917 -22.683 1.00 34.51 H new ATOM 0 HE2 HIS A 101 -3.765 -7.769 -22.577 1.00 64.34 H new ATOM 1677 N HIS A 102 0.381 -11.401 -19.142 1.00 41.32 N ATOM 1678 CA HIS A 102 1.810 -11.165 -19.380 1.00 72.32 C ATOM 1679 C HIS A 102 2.360 -12.205 -20.365 1.00 45.24 C ATOM 1680 O HIS A 102 2.608 -13.354 -19.996 1.00 1.45 O ATOM 1681 CB HIS A 102 2.616 -11.204 -18.071 1.00 2.53 C ATOM 1682 CG HIS A 102 4.069 -10.895 -18.268 1.00 31.22 C ATOM 1683 ND1 HIS A 102 5.021 -11.864 -18.500 1.00 13.02 N ATOM 1684 CD2 HIS A 102 4.733 -9.713 -18.297 1.00 44.42 C ATOM 1685 CE1 HIS A 102 6.196 -11.295 -18.665 1.00 73.34 C ATOM 1686 NE2 HIS A 102 6.051 -9.995 -18.546 1.00 10.01 N ATOM 0 H HIS A 102 0.011 -12.217 -19.630 1.00 41.32 H new ATOM 0 HA HIS A 102 1.915 -10.168 -19.809 1.00 72.32 H new ATOM 0 HB2 HIS A 102 2.190 -10.489 -17.367 1.00 2.53 H new ATOM 0 HB3 HIS A 102 2.518 -12.191 -17.620 1.00 2.53 H new ATOM 0 HD2 HIS A 102 4.304 -8.733 -18.151 1.00 44.42 H new ATOM 0 HE1 HIS A 102 7.124 -11.810 -18.865 1.00 73.34 H new ATOM 0 HE2 HIS A 102 6.799 -9.306 -18.626 1.00 10.01 H new ATOM 1695 N HIS A 103 2.551 -11.796 -21.616 1.00 54.15 N ATOM 1696 CA HIS A 103 2.955 -12.724 -22.675 1.00 32.24 C ATOM 1697 C HIS A 103 4.403 -13.212 -22.501 1.00 10.43 C ATOM 1698 O HIS A 103 5.347 -12.418 -22.488 1.00 63.14 O ATOM 1699 CB HIS A 103 2.786 -12.070 -24.055 1.00 41.33 C ATOM 1700 CG HIS A 103 3.008 -13.015 -25.204 1.00 22.10 C ATOM 1701 ND1 HIS A 103 1.994 -13.743 -25.786 1.00 15.23 N ATOM 1702 CD2 HIS A 103 4.135 -13.344 -25.883 1.00 50.14 C ATOM 1703 CE1 HIS A 103 2.483 -14.475 -26.765 1.00 72.23 C ATOM 1704 NE2 HIS A 103 3.774 -14.253 -26.845 1.00 45.41 N ATOM 0 H HIS A 103 2.434 -10.831 -21.924 1.00 54.15 H new ATOM 0 HA HIS A 103 2.303 -13.594 -22.602 1.00 32.24 H new ATOM 0 HB2 HIS A 103 1.782 -11.652 -24.129 1.00 41.33 H new ATOM 0 HB3 HIS A 103 3.485 -11.238 -24.141 1.00 41.33 H new ATOM 0 HD2 HIS A 103 5.129 -12.962 -25.701 1.00 50.14 H new ATOM 0 HE1 HIS A 103 1.917 -15.145 -27.396 1.00 72.23 H new ATOM 0 HE2 HIS A 103 4.408 -14.687 -27.516 1.00 45.41 H new ATOM 1713 N HIS A 104 4.557 -14.527 -22.361 1.00 20.32 N ATOM 1714 CA HIS A 104 5.872 -15.177 -22.365 1.00 1.44 C ATOM 1715 C HIS A 104 5.798 -16.479 -23.184 1.00 72.21 C ATOM 1716 O HIS A 104 5.176 -17.450 -22.755 1.00 13.21 O ATOM 1717 CB HIS A 104 6.368 -15.440 -20.929 1.00 30.13 C ATOM 1718 CG HIS A 104 5.469 -16.314 -20.098 1.00 74.34 C ATOM 1719 ND1 HIS A 104 5.927 -17.406 -19.393 1.00 33.21 N ATOM 1720 CD2 HIS A 104 4.140 -16.241 -19.840 1.00 70.13 C ATOM 1721 CE1 HIS A 104 4.927 -17.966 -18.745 1.00 3.20 C ATOM 1722 NE2 HIS A 104 3.832 -17.281 -18.996 1.00 51.23 N ATOM 0 H HIS A 104 3.777 -15.174 -22.242 1.00 20.32 H new ATOM 0 HA HIS A 104 6.597 -14.511 -22.833 1.00 1.44 H new ATOM 0 HB2 HIS A 104 7.354 -15.902 -20.980 1.00 30.13 H new ATOM 0 HB3 HIS A 104 6.490 -14.483 -20.422 1.00 30.13 H new ATOM 0 HD2 HIS A 104 3.452 -15.503 -20.226 1.00 70.13 H new ATOM 0 HE1 HIS A 104 4.994 -18.840 -18.114 1.00 3.20 H new ATOM 0 HE2 HIS A 104 2.905 -17.488 -18.624 1.00 51.23 H new ATOM 1731 N HIS A 105 6.430 -16.468 -24.365 1.00 63.54 N ATOM 1732 CA HIS A 105 6.288 -17.541 -25.376 1.00 31.22 C ATOM 1733 C HIS A 105 4.924 -17.457 -26.100 1.00 24.45 C ATOM 1734 O HIS A 105 4.843 -16.761 -27.139 1.00 37.14 O ATOM 1735 CB HIS A 105 6.496 -18.943 -24.767 1.00 61.40 C ATOM 1736 CG HIS A 105 7.905 -19.211 -24.332 1.00 34.32 C ATOM 1737 ND1 HIS A 105 8.314 -19.176 -23.017 1.00 33.50 N ATOM 1738 CD2 HIS A 105 9.007 -19.531 -25.052 1.00 13.14 C ATOM 1739 CE1 HIS A 105 9.598 -19.464 -22.948 1.00 2.45 C ATOM 1740 NE2 HIS A 105 10.043 -19.683 -24.165 1.00 62.54 N ATOM 1741 OXT HIS A 105 3.942 -18.076 -25.630 1.00 37.14 O ATOM 0 H HIS A 105 7.057 -15.717 -24.653 1.00 63.54 H new ATOM 0 HA HIS A 105 7.076 -17.384 -26.113 1.00 31.22 H new ATOM 0 HB2 HIS A 105 5.833 -19.058 -23.910 1.00 61.40 H new ATOM 0 HB3 HIS A 105 6.203 -19.694 -25.500 1.00 61.40 H new ATOM 0 HD2 HIS A 105 9.060 -19.645 -26.125 1.00 13.14 H new ATOM 0 HE1 HIS A 105 10.186 -19.512 -22.043 1.00 2.45 H new ATOM 0 HE2 HIS A 105 11.003 -19.926 -24.410 1.00 62.54 H new TER 1750 HIS A 105