USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 934 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 90 THR OG1 : rot -79:sc= 0.354 USER MOD Set 1.2: A 91 ASN : amide:sc= -0.948 K(o=-0.59,f=0.16) USER MOD Set 2.1: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 74 GLN : amide:sc= 0 X(o=0,f=-0.089) USER MOD Set 3.1: A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 75 HIS : no HD1:sc= -0.613 X(o=-0.61,f=-0.97) USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.083 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 SER OG : rot 180:sc= -0.0682 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0.396 X(o=0.4,f=0.035) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -170:sc= -0.436 USER MOD Single : A 40 LYS NZ :NH3+ -155:sc= -0.0733 (180deg=-0.47) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.00068) USER MOD Single : A 47 SER OG : rot 180:sc= -0.905! USER MOD Single : A 48 HIS : no HD1:sc= -4.06! C(o=-4.1!,f=-1.6!) USER MOD Single : A 54 HIS : no HD1:sc= -0.232 K(o=-0.23,f=-1.1) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.357 K(o=-0.36,f=1) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 109:sc= 0.579 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.475 K(o=-0.47,f=-5.7!) USER MOD Single : A 69 ASN : amide:sc= -0.628 X(o=-0.63,f=-0.7) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.268 K(o=-0.27,f=-0.86) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 89 SER OG : rot -166:sc= 0.0135 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.596 0.857 -14.696 1.00 0.00 N ATOM 2 CA GLY A 1 21.998 1.177 -14.506 1.00 0.00 C ATOM 3 C GLY A 1 22.263 1.858 -13.178 1.00 0.00 C ATOM 4 O GLY A 1 21.382 1.925 -12.321 1.00 0.00 O ATOM 0 H1 GLY A 1 20.499 -0.151 -14.934 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.072 1.058 -13.820 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.210 1.434 -15.471 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.587 0.262 -14.566 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.333 1.825 -15.316 1.00 0.00 H new ATOM 8 N SER A 2 23.480 2.364 -13.007 1.00 0.00 N ATOM 9 CA SER A 2 23.860 3.039 -11.771 1.00 0.00 C ATOM 10 C SER A 2 23.697 4.550 -11.904 1.00 0.00 C ATOM 11 O SER A 2 24.567 5.234 -12.443 1.00 0.00 O ATOM 12 CB SER A 2 25.307 2.701 -11.405 1.00 0.00 C ATOM 13 OG SER A 2 25.509 1.299 -11.365 1.00 0.00 O ATOM 0 H SER A 2 24.220 2.320 -13.708 1.00 0.00 H new ATOM 0 HA SER A 2 23.200 2.689 -10.977 1.00 0.00 H new ATOM 0 HB2 SER A 2 25.984 3.148 -12.133 1.00 0.00 H new ATOM 0 HB3 SER A 2 25.551 3.134 -10.435 1.00 0.00 H new ATOM 0 HG SER A 2 26.442 1.109 -11.131 1.00 0.00 H new ATOM 19 N SER A 3 22.575 5.063 -11.410 1.00 0.00 N ATOM 20 CA SER A 3 22.294 6.492 -11.477 1.00 0.00 C ATOM 21 C SER A 3 21.895 7.032 -10.107 1.00 0.00 C ATOM 22 O SER A 3 21.131 6.401 -9.377 1.00 0.00 O ATOM 23 CB SER A 3 21.181 6.768 -12.490 1.00 0.00 C ATOM 24 OG SER A 3 21.496 6.216 -13.756 1.00 0.00 O ATOM 0 H SER A 3 21.846 4.510 -10.959 1.00 0.00 H new ATOM 0 HA SER A 3 23.203 7.001 -11.799 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.243 6.346 -12.129 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.031 7.843 -12.586 1.00 0.00 H new ATOM 0 HG SER A 3 20.769 6.404 -14.385 1.00 0.00 H new ATOM 30 N GLY A 4 22.418 8.206 -9.764 1.00 0.00 N ATOM 31 CA GLY A 4 22.105 8.812 -8.483 1.00 0.00 C ATOM 32 C GLY A 4 20.614 8.976 -8.267 1.00 0.00 C ATOM 33 O GLY A 4 19.812 8.619 -9.130 1.00 0.00 O ATOM 0 H GLY A 4 23.053 8.748 -10.351 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.519 8.198 -7.683 1.00 0.00 H new ATOM 0 HA3 GLY A 4 22.588 9.787 -8.419 1.00 0.00 H new ATOM 37 N SER A 5 20.241 9.517 -7.112 1.00 0.00 N ATOM 38 CA SER A 5 18.835 9.722 -6.783 1.00 0.00 C ATOM 39 C SER A 5 18.287 10.959 -7.489 1.00 0.00 C ATOM 40 O SER A 5 18.202 12.037 -6.900 1.00 0.00 O ATOM 41 CB SER A 5 18.659 9.865 -5.270 1.00 0.00 C ATOM 42 OG SER A 5 18.596 8.596 -4.642 1.00 0.00 O ATOM 0 H SER A 5 20.892 9.821 -6.388 1.00 0.00 H new ATOM 0 HA SER A 5 18.276 8.851 -7.126 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.489 10.438 -4.857 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.748 10.425 -5.058 1.00 0.00 H new ATOM 0 HG SER A 5 18.485 8.714 -3.676 1.00 0.00 H new ATOM 48 N SER A 6 17.917 10.795 -8.755 1.00 0.00 N ATOM 49 CA SER A 6 17.381 11.898 -9.544 1.00 0.00 C ATOM 50 C SER A 6 16.845 11.398 -10.882 1.00 0.00 C ATOM 51 O SER A 6 17.516 10.651 -11.592 1.00 0.00 O ATOM 52 CB SER A 6 18.459 12.957 -9.777 1.00 0.00 C ATOM 53 OG SER A 6 17.900 14.145 -10.311 1.00 0.00 O ATOM 0 H SER A 6 17.979 9.909 -9.256 1.00 0.00 H new ATOM 0 HA SER A 6 16.558 12.345 -8.987 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.964 13.180 -8.837 1.00 0.00 H new ATOM 0 HB3 SER A 6 19.214 12.568 -10.460 1.00 0.00 H new ATOM 0 HG SER A 6 18.609 14.807 -10.449 1.00 0.00 H new ATOM 59 N GLY A 7 15.629 11.817 -11.220 1.00 0.00 N ATOM 60 CA GLY A 7 15.022 11.403 -12.471 1.00 0.00 C ATOM 61 C GLY A 7 13.836 10.482 -12.264 1.00 0.00 C ATOM 62 O GLY A 7 13.675 9.900 -11.191 1.00 0.00 O ATOM 0 H GLY A 7 15.054 12.436 -10.649 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.701 12.285 -13.025 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.768 10.897 -13.083 1.00 0.00 H new ATOM 66 N GLN A 8 13.004 10.351 -13.291 1.00 0.00 N ATOM 67 CA GLN A 8 11.825 9.497 -13.215 1.00 0.00 C ATOM 68 C GLN A 8 12.008 8.240 -14.060 1.00 0.00 C ATOM 69 O GLN A 8 11.872 7.122 -13.564 1.00 0.00 O ATOM 70 CB GLN A 8 10.584 10.261 -13.679 1.00 0.00 C ATOM 71 CG GLN A 8 9.288 9.736 -13.083 1.00 0.00 C ATOM 72 CD GLN A 8 8.148 10.728 -13.198 1.00 0.00 C ATOM 73 OE1 GLN A 8 7.933 11.324 -14.254 1.00 0.00 O ATOM 74 NE2 GLN A 8 7.409 10.910 -12.110 1.00 0.00 N ATOM 0 H GLN A 8 13.124 10.825 -14.186 1.00 0.00 H new ATOM 0 HA GLN A 8 11.691 9.198 -12.175 1.00 0.00 H new ATOM 0 HB2 GLN A 8 10.695 11.313 -13.415 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.521 10.210 -14.766 1.00 0.00 H new ATOM 0 HG2 GLN A 8 9.010 8.810 -13.586 1.00 0.00 H new ATOM 0 HG3 GLN A 8 9.448 9.493 -12.033 1.00 0.00 H new ATOM 0 HE21 GLN A 8 7.623 10.395 -11.256 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.627 11.565 -12.128 1.00 0.00 H new ATOM 83 N GLU A 9 12.316 8.433 -15.339 1.00 0.00 N ATOM 84 CA GLU A 9 12.516 7.314 -16.252 1.00 0.00 C ATOM 85 C GLU A 9 13.446 6.270 -15.639 1.00 0.00 C ATOM 86 O GLU A 9 14.456 6.609 -15.024 1.00 0.00 O ATOM 87 CB GLU A 9 13.093 7.808 -17.581 1.00 0.00 C ATOM 88 CG GLU A 9 13.092 6.753 -18.675 1.00 0.00 C ATOM 89 CD GLU A 9 14.100 7.048 -19.769 1.00 0.00 C ATOM 90 OE1 GLU A 9 13.976 8.106 -20.421 1.00 0.00 O ATOM 91 OE2 GLU A 9 15.012 6.219 -19.974 1.00 0.00 O ATOM 0 H GLU A 9 12.432 9.352 -15.765 1.00 0.00 H new ATOM 0 HA GLU A 9 11.547 6.850 -16.434 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.518 8.670 -17.919 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.115 8.150 -17.419 1.00 0.00 H new ATOM 0 HG2 GLU A 9 13.311 5.780 -18.236 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.095 6.688 -19.112 1.00 0.00 H new ATOM 98 N SER A 10 13.095 5.000 -15.812 1.00 0.00 N ATOM 99 CA SER A 10 13.894 3.906 -15.272 1.00 0.00 C ATOM 100 C SER A 10 13.413 2.563 -15.813 1.00 0.00 C ATOM 101 O SER A 10 12.348 2.473 -16.424 1.00 0.00 O ATOM 102 CB SER A 10 13.830 3.906 -13.743 1.00 0.00 C ATOM 103 OG SER A 10 14.778 3.008 -13.194 1.00 0.00 O ATOM 0 H SER A 10 12.263 4.703 -16.322 1.00 0.00 H new ATOM 0 HA SER A 10 14.927 4.055 -15.585 1.00 0.00 H new ATOM 0 HB2 SER A 10 14.017 4.912 -13.368 1.00 0.00 H new ATOM 0 HB3 SER A 10 12.828 3.626 -13.418 1.00 0.00 H new ATOM 0 HG SER A 10 14.719 3.027 -12.216 1.00 0.00 H new ATOM 109 N VAL A 11 14.205 1.521 -15.583 1.00 0.00 N ATOM 110 CA VAL A 11 13.861 0.182 -16.045 1.00 0.00 C ATOM 111 C VAL A 11 12.774 -0.437 -15.174 1.00 0.00 C ATOM 112 O VAL A 11 12.583 -0.039 -14.026 1.00 0.00 O ATOM 113 CB VAL A 11 15.091 -0.745 -16.047 1.00 0.00 C ATOM 114 CG1 VAL A 11 16.196 -0.164 -16.917 1.00 0.00 C ATOM 115 CG2 VAL A 11 15.586 -0.976 -14.627 1.00 0.00 C ATOM 0 H VAL A 11 15.090 1.579 -15.079 1.00 0.00 H new ATOM 0 HA VAL A 11 13.491 0.285 -17.065 1.00 0.00 H new ATOM 0 HB VAL A 11 14.798 -1.707 -16.467 1.00 0.00 H new ATOM 0 HG11 VAL A 11 17.057 -0.832 -16.906 1.00 0.00 H new ATOM 0 HG12 VAL A 11 15.834 -0.054 -17.939 1.00 0.00 H new ATOM 0 HG13 VAL A 11 16.489 0.812 -16.529 1.00 0.00 H new ATOM 0 HG21 VAL A 11 16.455 -1.633 -14.647 1.00 0.00 H new ATOM 0 HG22 VAL A 11 15.863 -0.022 -14.178 1.00 0.00 H new ATOM 0 HG23 VAL A 11 14.795 -1.439 -14.037 1.00 0.00 H new ATOM 125 N GLU A 12 12.063 -1.414 -15.730 1.00 0.00 N ATOM 126 CA GLU A 12 10.994 -2.089 -15.003 1.00 0.00 C ATOM 127 C GLU A 12 11.345 -3.553 -14.752 1.00 0.00 C ATOM 128 O GLU A 12 10.466 -4.381 -14.516 1.00 0.00 O ATOM 129 CB GLU A 12 9.680 -1.994 -15.780 1.00 0.00 C ATOM 130 CG GLU A 12 9.807 -2.393 -17.241 1.00 0.00 C ATOM 131 CD GLU A 12 8.486 -2.322 -17.982 1.00 0.00 C ATOM 132 OE1 GLU A 12 7.883 -1.229 -18.018 1.00 0.00 O ATOM 133 OE2 GLU A 12 8.055 -3.360 -18.526 1.00 0.00 O ATOM 0 H GLU A 12 12.208 -1.755 -16.680 1.00 0.00 H new ATOM 0 HA GLU A 12 10.875 -1.592 -14.040 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.937 -2.632 -15.301 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.307 -0.972 -15.722 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.529 -1.740 -17.731 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.200 -3.408 -17.304 1.00 0.00 H new ATOM 140 N ASP A 13 12.636 -3.863 -14.808 1.00 0.00 N ATOM 141 CA ASP A 13 13.105 -5.226 -14.587 1.00 0.00 C ATOM 142 C ASP A 13 12.823 -5.673 -13.156 1.00 0.00 C ATOM 143 O ASP A 13 12.283 -6.755 -12.928 1.00 0.00 O ATOM 144 CB ASP A 13 14.602 -5.327 -14.880 1.00 0.00 C ATOM 145 CG ASP A 13 15.130 -6.739 -14.721 1.00 0.00 C ATOM 146 OD1 ASP A 13 15.422 -7.139 -13.574 1.00 0.00 O ATOM 147 OD2 ASP A 13 15.249 -7.446 -15.744 1.00 0.00 O ATOM 0 H ASP A 13 13.376 -3.189 -15.004 1.00 0.00 H new ATOM 0 HA ASP A 13 12.564 -5.884 -15.267 1.00 0.00 H new ATOM 0 HB2 ASP A 13 14.794 -4.983 -15.896 1.00 0.00 H new ATOM 0 HB3 ASP A 13 15.146 -4.661 -14.210 1.00 0.00 H new ATOM 152 N SER A 14 13.193 -4.832 -12.195 1.00 0.00 N ATOM 153 CA SER A 14 12.984 -5.142 -10.786 1.00 0.00 C ATOM 154 C SER A 14 11.579 -4.744 -10.344 1.00 0.00 C ATOM 155 O SER A 14 10.889 -5.508 -9.668 1.00 0.00 O ATOM 156 CB SER A 14 14.025 -4.424 -9.924 1.00 0.00 C ATOM 157 OG SER A 14 15.224 -5.174 -9.841 1.00 0.00 O ATOM 0 H SER A 14 13.639 -3.931 -12.367 1.00 0.00 H new ATOM 0 HA SER A 14 13.095 -6.219 -10.656 1.00 0.00 H new ATOM 0 HB2 SER A 14 14.236 -3.441 -10.346 1.00 0.00 H new ATOM 0 HB3 SER A 14 13.624 -4.262 -8.924 1.00 0.00 H new ATOM 0 HG SER A 14 15.873 -4.693 -9.286 1.00 0.00 H new ATOM 163 N LEU A 15 11.162 -3.543 -10.731 1.00 0.00 N ATOM 164 CA LEU A 15 9.839 -3.042 -10.376 1.00 0.00 C ATOM 165 C LEU A 15 8.795 -4.149 -10.466 1.00 0.00 C ATOM 166 O LEU A 15 8.826 -4.972 -11.381 1.00 0.00 O ATOM 167 CB LEU A 15 9.450 -1.881 -11.292 1.00 0.00 C ATOM 168 CG LEU A 15 9.988 -0.505 -10.899 1.00 0.00 C ATOM 169 CD1 LEU A 15 9.772 0.495 -12.024 1.00 0.00 C ATOM 170 CD2 LEU A 15 9.327 -0.020 -9.617 1.00 0.00 C ATOM 0 H LEU A 15 11.721 -2.899 -11.290 1.00 0.00 H new ATOM 0 HA LEU A 15 9.876 -2.687 -9.346 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.795 -2.109 -12.300 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.362 -1.825 -11.332 1.00 0.00 H new ATOM 0 HG LEU A 15 11.060 -0.593 -10.721 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.161 1.468 -11.725 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.293 0.154 -12.919 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.706 0.580 -12.236 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.722 0.961 -9.352 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.250 0.051 -9.767 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.535 -0.724 -8.811 1.00 0.00 H new ATOM 182 N ALA A 16 7.869 -4.162 -9.513 1.00 0.00 N ATOM 183 CA ALA A 16 6.812 -5.166 -9.488 1.00 0.00 C ATOM 184 C ALA A 16 5.435 -4.512 -9.435 1.00 0.00 C ATOM 185 O ALA A 16 5.236 -3.514 -8.741 1.00 0.00 O ATOM 186 CB ALA A 16 7.000 -6.101 -8.303 1.00 0.00 C ATOM 0 H ALA A 16 7.829 -3.489 -8.748 1.00 0.00 H new ATOM 0 HA ALA A 16 6.875 -5.747 -10.408 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.204 -6.845 -8.297 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.965 -6.602 -8.384 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.967 -5.526 -7.377 1.00 0.00 H new ATOM 192 N THR A 17 4.486 -5.080 -10.172 1.00 0.00 N ATOM 193 CA THR A 17 3.129 -4.551 -10.211 1.00 0.00 C ATOM 194 C THR A 17 2.395 -4.824 -8.902 1.00 0.00 C ATOM 195 O THR A 17 1.865 -5.916 -8.692 1.00 0.00 O ATOM 196 CB THR A 17 2.322 -5.157 -11.375 1.00 0.00 C ATOM 197 OG1 THR A 17 3.140 -5.238 -12.547 1.00 0.00 O ATOM 198 CG2 THR A 17 1.085 -4.322 -11.669 1.00 0.00 C ATOM 0 H THR A 17 4.633 -5.907 -10.750 1.00 0.00 H new ATOM 0 HA THR A 17 3.214 -3.475 -10.360 1.00 0.00 H new ATOM 0 HB THR A 17 2.003 -6.158 -11.085 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.621 -5.626 -13.282 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.532 -4.770 -12.494 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.451 -4.287 -10.783 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.385 -3.310 -11.940 1.00 0.00 H new ATOM 206 N VAL A 18 2.367 -3.826 -8.025 1.00 0.00 N ATOM 207 CA VAL A 18 1.697 -3.959 -6.737 1.00 0.00 C ATOM 208 C VAL A 18 0.344 -3.256 -6.748 1.00 0.00 C ATOM 209 O VAL A 18 0.269 -2.029 -6.812 1.00 0.00 O ATOM 210 CB VAL A 18 2.554 -3.381 -5.596 1.00 0.00 C ATOM 211 CG1 VAL A 18 1.746 -3.300 -4.309 1.00 0.00 C ATOM 212 CG2 VAL A 18 3.808 -4.218 -5.396 1.00 0.00 C ATOM 0 H VAL A 18 2.801 -2.916 -8.183 1.00 0.00 H new ATOM 0 HA VAL A 18 1.549 -5.025 -6.565 1.00 0.00 H new ATOM 0 HB VAL A 18 2.859 -2.371 -5.869 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.368 -2.889 -3.514 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.881 -2.655 -4.463 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.409 -4.298 -4.027 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.402 -3.795 -4.586 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.527 -5.241 -5.144 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.395 -4.219 -6.314 1.00 0.00 H new ATOM 222 N LYS A 19 -0.726 -4.042 -6.684 1.00 0.00 N ATOM 223 CA LYS A 19 -2.078 -3.497 -6.684 1.00 0.00 C ATOM 224 C LYS A 19 -2.454 -2.975 -5.301 1.00 0.00 C ATOM 225 O LYS A 19 -2.320 -3.681 -4.302 1.00 0.00 O ATOM 226 CB LYS A 19 -3.080 -4.565 -7.127 1.00 0.00 C ATOM 227 CG LYS A 19 -3.002 -4.896 -8.607 1.00 0.00 C ATOM 228 CD LYS A 19 -4.117 -5.838 -9.028 1.00 0.00 C ATOM 229 CE LYS A 19 -4.119 -6.063 -10.532 1.00 0.00 C ATOM 230 NZ LYS A 19 -4.798 -4.954 -11.258 1.00 0.00 N ATOM 0 H LYS A 19 -0.682 -5.060 -6.631 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.108 -2.665 -7.388 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.908 -5.474 -6.551 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.089 -4.225 -6.892 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.062 -3.977 -9.190 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.037 -5.352 -8.828 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.000 -6.793 -8.516 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.078 -5.427 -8.719 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.092 -6.154 -10.887 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.619 -7.005 -10.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.778 -5.145 -12.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.785 -4.883 -10.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.306 -4.059 -11.063 1.00 0.00 H new ATOM 244 N VAL A 20 -2.927 -1.733 -5.250 1.00 0.00 N ATOM 245 CA VAL A 20 -3.325 -1.117 -3.990 1.00 0.00 C ATOM 246 C VAL A 20 -4.835 -0.918 -3.929 1.00 0.00 C ATOM 247 O VAL A 20 -5.422 -0.270 -4.795 1.00 0.00 O ATOM 248 CB VAL A 20 -2.630 0.242 -3.786 1.00 0.00 C ATOM 249 CG1 VAL A 20 -3.121 0.906 -2.508 1.00 0.00 C ATOM 250 CG2 VAL A 20 -1.119 0.069 -3.760 1.00 0.00 C ATOM 0 H VAL A 20 -3.044 -1.134 -6.067 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.019 -1.796 -3.194 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.884 0.890 -4.625 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.619 1.865 -2.380 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.197 1.065 -2.571 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.899 0.264 -1.656 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.644 1.039 -3.615 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.843 -0.596 -2.942 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.786 -0.361 -4.705 1.00 0.00 H new ATOM 260 N VAL A 21 -5.459 -1.479 -2.898 1.00 0.00 N ATOM 261 CA VAL A 21 -6.902 -1.362 -2.722 1.00 0.00 C ATOM 262 C VAL A 21 -7.241 -0.699 -1.392 1.00 0.00 C ATOM 263 O VAL A 21 -6.750 -1.108 -0.339 1.00 0.00 O ATOM 264 CB VAL A 21 -7.589 -2.739 -2.787 1.00 0.00 C ATOM 265 CG1 VAL A 21 -9.097 -2.591 -2.658 1.00 0.00 C ATOM 266 CG2 VAL A 21 -7.224 -3.456 -4.078 1.00 0.00 C ATOM 0 H VAL A 21 -4.988 -2.019 -2.172 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.271 -0.742 -3.539 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.235 -3.342 -1.951 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -9.565 -3.574 -2.706 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.336 -2.122 -1.704 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.473 -1.970 -3.472 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.718 -4.427 -4.107 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.548 -2.858 -4.930 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.144 -3.597 -4.123 1.00 0.00 H new ATOM 276 N LEU A 22 -8.084 0.326 -1.446 1.00 0.00 N ATOM 277 CA LEU A 22 -8.490 1.047 -0.245 1.00 0.00 C ATOM 278 C LEU A 22 -9.588 0.292 0.498 1.00 0.00 C ATOM 279 O LEU A 22 -10.615 -0.060 -0.084 1.00 0.00 O ATOM 280 CB LEU A 22 -8.976 2.451 -0.608 1.00 0.00 C ATOM 281 CG LEU A 22 -7.889 3.469 -0.954 1.00 0.00 C ATOM 282 CD1 LEU A 22 -8.486 4.661 -1.685 1.00 0.00 C ATOM 283 CD2 LEU A 22 -7.163 3.922 0.305 1.00 0.00 C ATOM 0 H LEU A 22 -8.500 0.677 -2.309 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.623 1.128 0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.654 2.371 -1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.557 2.840 0.228 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.166 2.990 -1.614 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.697 5.374 -1.923 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.959 4.323 -2.607 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.230 5.142 -1.050 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.393 4.646 0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.875 4.383 0.989 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.701 3.061 0.788 1.00 0.00 H new ATOM 295 N ILE A 23 -9.367 0.050 1.785 1.00 0.00 N ATOM 296 CA ILE A 23 -10.339 -0.659 2.607 1.00 0.00 C ATOM 297 C ILE A 23 -11.574 0.199 2.861 1.00 0.00 C ATOM 298 O ILE A 23 -12.698 -0.172 2.523 1.00 0.00 O ATOM 299 CB ILE A 23 -9.734 -1.080 3.959 1.00 0.00 C ATOM 300 CG1 ILE A 23 -9.125 -2.480 3.857 1.00 0.00 C ATOM 301 CG2 ILE A 23 -10.792 -1.035 5.051 1.00 0.00 C ATOM 302 CD1 ILE A 23 -10.154 -3.573 3.669 1.00 0.00 C ATOM 0 H ILE A 23 -8.523 0.335 2.281 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.627 -1.553 2.054 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.942 -0.378 4.219 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.425 -2.503 3.022 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.550 -2.684 4.760 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.348 -1.335 6.000 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.183 -0.021 5.138 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.605 -1.716 4.799 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.652 -4.538 3.605 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.840 -3.577 4.516 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -10.713 -3.393 2.751 1.00 0.00 H new ATOM 314 N PRO A 24 -11.362 1.376 3.470 1.00 0.00 N ATOM 315 CA PRO A 24 -12.446 2.313 3.780 1.00 0.00 C ATOM 316 C PRO A 24 -13.034 2.955 2.528 1.00 0.00 C ATOM 317 O PRO A 24 -14.234 3.220 2.460 1.00 0.00 O ATOM 318 CB PRO A 24 -11.763 3.369 4.652 1.00 0.00 C ATOM 319 CG PRO A 24 -10.327 3.316 4.256 1.00 0.00 C ATOM 320 CD PRO A 24 -10.048 1.882 3.900 1.00 0.00 C ATOM 0 HA PRO A 24 -13.286 1.817 4.266 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.185 4.359 4.479 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.890 3.149 5.712 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.131 3.973 3.409 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.685 3.648 5.072 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.307 1.802 3.105 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.662 1.324 4.753 1.00 0.00 H new ATOM 328 N VAL A 25 -12.181 3.202 1.539 1.00 0.00 N ATOM 329 CA VAL A 25 -12.617 3.812 0.289 1.00 0.00 C ATOM 330 C VAL A 25 -13.129 2.758 -0.687 1.00 0.00 C ATOM 331 O VAL A 25 -14.187 2.921 -1.293 1.00 0.00 O ATOM 332 CB VAL A 25 -11.475 4.601 -0.379 1.00 0.00 C ATOM 333 CG1 VAL A 25 -12.033 5.618 -1.362 1.00 0.00 C ATOM 334 CG2 VAL A 25 -10.613 5.282 0.674 1.00 0.00 C ATOM 0 H VAL A 25 -11.184 2.989 1.579 1.00 0.00 H new ATOM 0 HA VAL A 25 -13.427 4.498 0.537 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.848 3.902 -0.933 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.212 6.166 -1.824 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -12.605 5.102 -2.134 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -12.683 6.316 -0.834 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.811 5.835 0.185 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -11.226 5.970 1.256 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.184 4.529 1.335 1.00 0.00 H new ATOM 344 N GLY A 26 -12.371 1.676 -0.833 1.00 0.00 N ATOM 345 CA GLY A 26 -12.765 0.611 -1.737 1.00 0.00 C ATOM 346 C GLY A 26 -12.232 0.815 -3.141 1.00 0.00 C ATOM 347 O GLY A 26 -12.396 -0.047 -4.004 1.00 0.00 O ATOM 0 H GLY A 26 -11.491 1.518 -0.342 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.404 -0.342 -1.350 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.853 0.551 -1.770 1.00 0.00 H new ATOM 351 N GLN A 27 -11.596 1.959 -3.371 1.00 0.00 N ATOM 352 CA GLN A 27 -11.041 2.274 -4.681 1.00 0.00 C ATOM 353 C GLN A 27 -9.826 1.403 -4.981 1.00 0.00 C ATOM 354 O GLN A 27 -9.142 0.941 -4.069 1.00 0.00 O ATOM 355 CB GLN A 27 -10.654 3.752 -4.753 1.00 0.00 C ATOM 356 CG GLN A 27 -10.441 4.258 -6.171 1.00 0.00 C ATOM 357 CD GLN A 27 -9.820 5.640 -6.210 1.00 0.00 C ATOM 358 OE1 GLN A 27 -10.457 6.630 -5.848 1.00 0.00 O ATOM 359 NE2 GLN A 27 -8.570 5.716 -6.651 1.00 0.00 N ATOM 0 H GLN A 27 -11.452 2.683 -2.667 1.00 0.00 H new ATOM 0 HA GLN A 27 -11.806 2.069 -5.430 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -11.434 4.347 -4.278 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.740 3.908 -4.180 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.799 3.560 -6.709 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.398 4.279 -6.693 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.079 4.870 -6.941 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -8.100 6.620 -6.700 1.00 0.00 H new ATOM 368 N GLU A 28 -9.563 1.184 -6.266 1.00 0.00 N ATOM 369 CA GLU A 28 -8.430 0.367 -6.685 1.00 0.00 C ATOM 370 C GLU A 28 -7.364 1.223 -7.362 1.00 0.00 C ATOM 371 O GLU A 28 -7.678 2.140 -8.122 1.00 0.00 O ATOM 372 CB GLU A 28 -8.894 -0.737 -7.637 1.00 0.00 C ATOM 373 CG GLU A 28 -9.507 -1.934 -6.929 1.00 0.00 C ATOM 374 CD GLU A 28 -10.068 -2.959 -7.895 1.00 0.00 C ATOM 375 OE1 GLU A 28 -9.275 -3.554 -8.654 1.00 0.00 O ATOM 376 OE2 GLU A 28 -11.299 -3.167 -7.892 1.00 0.00 O ATOM 0 H GLU A 28 -10.119 1.561 -7.034 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.995 -0.089 -5.796 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.625 -0.323 -8.331 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.045 -1.073 -8.232 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.751 -2.407 -6.302 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.302 -1.592 -6.266 1.00 0.00 H new ATOM 383 N ILE A 29 -6.102 0.916 -7.081 1.00 0.00 N ATOM 384 CA ILE A 29 -4.989 1.656 -7.663 1.00 0.00 C ATOM 385 C ILE A 29 -3.889 0.712 -8.137 1.00 0.00 C ATOM 386 O ILE A 29 -3.734 -0.391 -7.613 1.00 0.00 O ATOM 387 CB ILE A 29 -4.392 2.658 -6.657 1.00 0.00 C ATOM 388 CG1 ILE A 29 -5.447 3.684 -6.239 1.00 0.00 C ATOM 389 CG2 ILE A 29 -3.178 3.352 -7.258 1.00 0.00 C ATOM 390 CD1 ILE A 29 -4.964 4.649 -5.179 1.00 0.00 C ATOM 0 H ILE A 29 -5.825 0.160 -6.454 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.387 2.204 -8.517 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.072 2.113 -5.769 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.761 4.249 -7.117 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.326 3.158 -5.867 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.767 4.057 -6.535 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.422 2.609 -7.510 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.475 3.888 -8.160 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.763 5.347 -4.931 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.677 4.094 -4.286 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.103 5.202 -5.555 1.00 0.00 H new ATOM 402 N VAL A 30 -3.125 1.154 -9.132 1.00 0.00 N ATOM 403 CA VAL A 30 -2.037 0.350 -9.675 1.00 0.00 C ATOM 404 C VAL A 30 -0.763 1.175 -9.819 1.00 0.00 C ATOM 405 O VAL A 30 -0.701 2.104 -10.624 1.00 0.00 O ATOM 406 CB VAL A 30 -2.408 -0.244 -11.047 1.00 0.00 C ATOM 407 CG1 VAL A 30 -1.220 -0.974 -11.652 1.00 0.00 C ATOM 408 CG2 VAL A 30 -3.606 -1.172 -10.918 1.00 0.00 C ATOM 0 H VAL A 30 -3.240 2.064 -9.578 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.863 -0.463 -8.970 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.680 0.573 -11.716 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.501 -1.387 -12.621 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.392 -0.277 -11.781 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.913 -1.783 -10.988 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.855 -1.583 -11.896 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.364 -1.985 -10.234 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.459 -0.614 -10.531 1.00 0.00 H new ATOM 418 N ILE A 31 0.251 0.829 -9.033 1.00 0.00 N ATOM 419 CA ILE A 31 1.525 1.537 -9.074 1.00 0.00 C ATOM 420 C ILE A 31 2.694 0.576 -8.893 1.00 0.00 C ATOM 421 O ILE A 31 2.736 -0.220 -7.954 1.00 0.00 O ATOM 422 CB ILE A 31 1.598 2.627 -7.988 1.00 0.00 C ATOM 423 CG1 ILE A 31 2.961 3.321 -8.023 1.00 0.00 C ATOM 424 CG2 ILE A 31 1.339 2.026 -6.615 1.00 0.00 C ATOM 425 CD1 ILE A 31 3.074 4.481 -7.058 1.00 0.00 C ATOM 0 H ILE A 31 0.215 0.063 -8.360 1.00 0.00 H new ATOM 0 HA ILE A 31 1.593 2.007 -10.055 1.00 0.00 H new ATOM 0 HB ILE A 31 0.827 3.371 -8.188 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.737 2.591 -7.793 1.00 0.00 H new ATOM 0 HG13 ILE A 31 3.151 3.681 -9.034 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.394 2.809 -5.859 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.348 1.573 -6.597 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.089 1.264 -6.404 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.066 4.925 -7.137 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.321 5.231 -7.300 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.916 4.124 -6.040 1.00 0.00 H new ATOM 437 N PRO A 32 3.669 0.650 -9.811 1.00 0.00 N ATOM 438 CA PRO A 32 4.859 -0.205 -9.773 1.00 0.00 C ATOM 439 C PRO A 32 5.788 0.145 -8.616 1.00 0.00 C ATOM 440 O PRO A 32 6.214 1.292 -8.474 1.00 0.00 O ATOM 441 CB PRO A 32 5.543 0.079 -11.113 1.00 0.00 C ATOM 442 CG PRO A 32 5.085 1.446 -11.489 1.00 0.00 C ATOM 443 CD PRO A 32 3.685 1.575 -10.957 1.00 0.00 C ATOM 0 HA PRO A 32 4.602 -1.254 -9.624 1.00 0.00 H new ATOM 0 HB2 PRO A 32 6.628 0.036 -11.021 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.258 -0.655 -11.867 1.00 0.00 H new ATOM 0 HG2 PRO A 32 5.737 2.207 -11.061 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.105 1.581 -12.570 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.464 2.598 -10.651 1.00 0.00 H new ATOM 0 HD3 PRO A 32 2.943 1.299 -11.707 1.00 0.00 H new ATOM 451 N PHE A 33 6.099 -0.849 -7.791 1.00 0.00 N ATOM 452 CA PHE A 33 6.978 -0.645 -6.645 1.00 0.00 C ATOM 453 C PHE A 33 8.134 -1.641 -6.662 1.00 0.00 C ATOM 454 O PHE A 33 7.941 -2.830 -6.917 1.00 0.00 O ATOM 455 CB PHE A 33 6.191 -0.783 -5.340 1.00 0.00 C ATOM 456 CG PHE A 33 6.893 -0.193 -4.151 1.00 0.00 C ATOM 457 CD1 PHE A 33 7.324 1.124 -4.168 1.00 0.00 C ATOM 458 CD2 PHE A 33 7.122 -0.954 -3.017 1.00 0.00 C ATOM 459 CE1 PHE A 33 7.970 1.671 -3.075 1.00 0.00 C ATOM 460 CE2 PHE A 33 7.767 -0.413 -1.921 1.00 0.00 C ATOM 461 CZ PHE A 33 8.192 0.901 -1.950 1.00 0.00 C ATOM 0 H PHE A 33 5.756 -1.804 -7.894 1.00 0.00 H new ATOM 0 HA PHE A 33 7.388 0.363 -6.709 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.222 -0.298 -5.457 1.00 0.00 H new ATOM 0 HB3 PHE A 33 5.999 -1.839 -5.151 1.00 0.00 H new ATOM 0 HD1 PHE A 33 7.153 1.730 -5.045 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.793 -1.982 -2.989 1.00 0.00 H new ATOM 0 HE1 PHE A 33 8.301 2.699 -3.101 1.00 0.00 H new ATOM 0 HE2 PHE A 33 7.939 -1.017 -1.042 1.00 0.00 H new ATOM 0 HZ PHE A 33 8.697 1.325 -1.095 1.00 0.00 H new ATOM 471 N LYS A 34 9.337 -1.146 -6.390 1.00 0.00 N ATOM 472 CA LYS A 34 10.526 -1.990 -6.373 1.00 0.00 C ATOM 473 C LYS A 34 10.421 -3.055 -5.286 1.00 0.00 C ATOM 474 O LYS A 34 10.059 -2.761 -4.147 1.00 0.00 O ATOM 475 CB LYS A 34 11.778 -1.139 -6.149 1.00 0.00 C ATOM 476 CG LYS A 34 11.976 -0.061 -7.201 1.00 0.00 C ATOM 477 CD LYS A 34 12.699 -0.600 -8.423 1.00 0.00 C ATOM 478 CE LYS A 34 13.063 0.515 -9.392 1.00 0.00 C ATOM 479 NZ LYS A 34 14.312 1.216 -8.987 1.00 0.00 N ATOM 0 H LYS A 34 9.514 -0.164 -6.178 1.00 0.00 H new ATOM 0 HA LYS A 34 10.601 -2.488 -7.340 1.00 0.00 H new ATOM 0 HB2 LYS A 34 11.718 -0.670 -5.167 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.652 -1.790 -6.138 1.00 0.00 H new ATOM 0 HG2 LYS A 34 11.007 0.341 -7.498 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.546 0.764 -6.775 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.604 -1.122 -8.111 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.067 -1.331 -8.928 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.187 0.100 -10.392 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.244 1.233 -9.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.526 1.968 -9.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.185 1.634 -8.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.099 0.537 -8.962 1.00 0.00 H new ATOM 493 N VAL A 35 10.743 -4.294 -5.645 1.00 0.00 N ATOM 494 CA VAL A 35 10.687 -5.403 -4.699 1.00 0.00 C ATOM 495 C VAL A 35 11.841 -5.335 -3.705 1.00 0.00 C ATOM 496 O VAL A 35 11.676 -5.641 -2.524 1.00 0.00 O ATOM 497 CB VAL A 35 10.728 -6.761 -5.424 1.00 0.00 C ATOM 498 CG1 VAL A 35 9.599 -6.859 -6.439 1.00 0.00 C ATOM 499 CG2 VAL A 35 12.077 -6.967 -6.095 1.00 0.00 C ATOM 0 H VAL A 35 11.045 -4.555 -6.584 1.00 0.00 H new ATOM 0 HA VAL A 35 9.743 -5.315 -4.162 1.00 0.00 H new ATOM 0 HB VAL A 35 10.591 -7.551 -4.685 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.644 -7.825 -6.941 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.641 -6.760 -5.928 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.702 -6.062 -7.176 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.088 -7.932 -6.602 1.00 0.00 H new ATOM 0 HG22 VAL A 35 12.247 -6.173 -6.822 1.00 0.00 H new ATOM 0 HG23 VAL A 35 12.865 -6.944 -5.342 1.00 0.00 H new ATOM 509 N ASP A 36 13.010 -4.932 -4.191 1.00 0.00 N ATOM 510 CA ASP A 36 14.193 -4.822 -3.345 1.00 0.00 C ATOM 511 C ASP A 36 14.261 -3.450 -2.681 1.00 0.00 C ATOM 512 O ASP A 36 15.342 -2.891 -2.495 1.00 0.00 O ATOM 513 CB ASP A 36 15.459 -5.068 -4.167 1.00 0.00 C ATOM 514 CG ASP A 36 15.535 -4.179 -5.393 1.00 0.00 C ATOM 515 OD1 ASP A 36 14.690 -4.344 -6.299 1.00 0.00 O ATOM 516 OD2 ASP A 36 16.437 -3.318 -5.447 1.00 0.00 O ATOM 0 H ASP A 36 13.164 -4.676 -5.166 1.00 0.00 H new ATOM 0 HA ASP A 36 14.123 -5.580 -2.565 1.00 0.00 H new ATOM 0 HB2 ASP A 36 16.334 -4.895 -3.541 1.00 0.00 H new ATOM 0 HB3 ASP A 36 15.490 -6.113 -4.477 1.00 0.00 H new ATOM 521 N THR A 37 13.098 -2.912 -2.327 1.00 0.00 N ATOM 522 CA THR A 37 13.025 -1.605 -1.686 1.00 0.00 C ATOM 523 C THR A 37 12.027 -1.613 -0.533 1.00 0.00 C ATOM 524 O THR A 37 10.954 -2.209 -0.633 1.00 0.00 O ATOM 525 CB THR A 37 12.622 -0.509 -2.690 1.00 0.00 C ATOM 526 OG1 THR A 37 13.577 -0.445 -3.755 1.00 0.00 O ATOM 527 CG2 THR A 37 12.529 0.846 -2.004 1.00 0.00 C ATOM 0 H THR A 37 12.194 -3.361 -2.473 1.00 0.00 H new ATOM 0 HA THR A 37 14.021 -1.386 -1.300 1.00 0.00 H new ATOM 0 HB THR A 37 11.642 -0.761 -3.095 1.00 0.00 H new ATOM 0 HG1 THR A 37 13.405 0.350 -4.301 1.00 0.00 H new ATOM 0 HG21 THR A 37 12.243 1.604 -2.733 1.00 0.00 H new ATOM 0 HG22 THR A 37 11.780 0.803 -1.213 1.00 0.00 H new ATOM 0 HG23 THR A 37 13.497 1.103 -1.574 1.00 0.00 H new ATOM 535 N ILE A 38 12.388 -0.948 0.559 1.00 0.00 N ATOM 536 CA ILE A 38 11.523 -0.878 1.730 1.00 0.00 C ATOM 537 C ILE A 38 10.118 -0.422 1.350 1.00 0.00 C ATOM 538 O ILE A 38 9.880 0.018 0.224 1.00 0.00 O ATOM 539 CB ILE A 38 12.091 0.081 2.793 1.00 0.00 C ATOM 540 CG1 ILE A 38 12.436 1.431 2.162 1.00 0.00 C ATOM 541 CG2 ILE A 38 13.318 -0.529 3.455 1.00 0.00 C ATOM 542 CD1 ILE A 38 11.221 2.239 1.762 1.00 0.00 C ATOM 0 H ILE A 38 13.273 -0.450 0.657 1.00 0.00 H new ATOM 0 HA ILE A 38 11.476 -1.884 2.147 1.00 0.00 H new ATOM 0 HB ILE A 38 11.331 0.242 3.558 1.00 0.00 H new ATOM 0 HG12 ILE A 38 13.032 2.011 2.867 1.00 0.00 H new ATOM 0 HG13 ILE A 38 13.057 1.264 1.282 1.00 0.00 H new ATOM 0 HG21 ILE A 38 13.708 0.160 4.204 1.00 0.00 H new ATOM 0 HG22 ILE A 38 13.043 -1.468 3.935 1.00 0.00 H new ATOM 0 HG23 ILE A 38 14.083 -0.717 2.701 1.00 0.00 H new ATOM 0 HD11 ILE A 38 11.541 3.183 1.322 1.00 0.00 H new ATOM 0 HD12 ILE A 38 10.635 1.679 1.033 1.00 0.00 H new ATOM 0 HD13 ILE A 38 10.610 2.438 2.643 1.00 0.00 H new ATOM 554 N LEU A 39 9.191 -0.527 2.296 1.00 0.00 N ATOM 555 CA LEU A 39 7.809 -0.124 2.061 1.00 0.00 C ATOM 556 C LEU A 39 7.593 1.333 2.457 1.00 0.00 C ATOM 557 O LEU A 39 6.729 2.016 1.905 1.00 0.00 O ATOM 558 CB LEU A 39 6.854 -1.025 2.845 1.00 0.00 C ATOM 559 CG LEU A 39 6.875 -2.509 2.476 1.00 0.00 C ATOM 560 CD1 LEU A 39 6.496 -3.363 3.675 1.00 0.00 C ATOM 561 CD2 LEU A 39 5.938 -2.780 1.308 1.00 0.00 C ATOM 0 H LEU A 39 9.371 -0.888 3.233 1.00 0.00 H new ATOM 0 HA LEU A 39 7.602 -0.226 0.996 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.087 -0.932 3.906 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.839 -0.651 2.708 1.00 0.00 H new ATOM 0 HG LEU A 39 7.888 -2.775 2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.516 -4.416 3.393 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.206 -3.190 4.484 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.493 -3.096 4.009 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.965 -3.841 1.058 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.922 -2.498 1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.255 -2.196 0.444 1.00 0.00 H new ATOM 573 N LYS A 40 8.383 1.804 3.415 1.00 0.00 N ATOM 574 CA LYS A 40 8.281 3.181 3.883 1.00 0.00 C ATOM 575 C LYS A 40 7.877 4.114 2.746 1.00 0.00 C ATOM 576 O LYS A 40 6.755 4.618 2.714 1.00 0.00 O ATOM 577 CB LYS A 40 9.614 3.638 4.482 1.00 0.00 C ATOM 578 CG LYS A 40 9.463 4.677 5.579 1.00 0.00 C ATOM 579 CD LYS A 40 10.737 4.816 6.395 1.00 0.00 C ATOM 580 CE LYS A 40 10.865 6.207 6.996 1.00 0.00 C ATOM 581 NZ LYS A 40 11.056 7.249 5.949 1.00 0.00 N ATOM 0 H LYS A 40 9.102 1.252 3.883 1.00 0.00 H new ATOM 0 HA LYS A 40 7.511 3.220 4.653 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.138 2.771 4.884 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.238 4.048 3.688 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.206 5.640 5.137 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.638 4.398 6.235 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.743 4.072 7.192 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.600 4.611 5.762 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.971 6.435 7.577 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.708 6.228 7.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.546 8.069 6.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.626 6.859 5.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.129 7.547 5.583 1.00 0.00 H new ATOM 595 N TYR A 41 8.798 4.338 1.815 1.00 0.00 N ATOM 596 CA TYR A 41 8.537 5.211 0.677 1.00 0.00 C ATOM 597 C TYR A 41 7.095 5.070 0.201 1.00 0.00 C ATOM 598 O TYR A 41 6.310 6.017 0.270 1.00 0.00 O ATOM 599 CB TYR A 41 9.498 4.890 -0.469 1.00 0.00 C ATOM 600 CG TYR A 41 10.900 5.413 -0.248 1.00 0.00 C ATOM 601 CD1 TYR A 41 11.148 6.777 -0.158 1.00 0.00 C ATOM 602 CD2 TYR A 41 11.976 4.542 -0.132 1.00 0.00 C ATOM 603 CE1 TYR A 41 12.427 7.259 0.043 1.00 0.00 C ATOM 604 CE2 TYR A 41 13.258 5.015 0.071 1.00 0.00 C ATOM 605 CZ TYR A 41 13.479 6.374 0.157 1.00 0.00 C ATOM 606 OH TYR A 41 14.754 6.849 0.357 1.00 0.00 O ATOM 0 H TYR A 41 9.732 3.927 1.826 1.00 0.00 H new ATOM 0 HA TYR A 41 8.695 6.241 0.998 1.00 0.00 H new ATOM 0 HB2 TYR A 41 9.540 3.809 -0.605 1.00 0.00 H new ATOM 0 HB3 TYR A 41 9.103 5.313 -1.393 1.00 0.00 H new ATOM 0 HD1 TYR A 41 10.327 7.473 -0.247 1.00 0.00 H new ATOM 0 HD2 TYR A 41 11.807 3.478 -0.202 1.00 0.00 H new ATOM 0 HE1 TYR A 41 12.602 8.323 0.110 1.00 0.00 H new ATOM 0 HE2 TYR A 41 14.083 4.324 0.162 1.00 0.00 H new ATOM 0 HH TYR A 41 15.378 6.096 0.417 1.00 0.00 H new ATOM 616 N LEU A 42 6.752 3.881 -0.281 1.00 0.00 N ATOM 617 CA LEU A 42 5.403 3.613 -0.769 1.00 0.00 C ATOM 618 C LEU A 42 4.357 4.094 0.231 1.00 0.00 C ATOM 619 O LEU A 42 3.296 4.586 -0.153 1.00 0.00 O ATOM 620 CB LEU A 42 5.223 2.117 -1.032 1.00 0.00 C ATOM 621 CG LEU A 42 3.915 1.707 -1.709 1.00 0.00 C ATOM 622 CD1 LEU A 42 3.923 2.111 -3.175 1.00 0.00 C ATOM 623 CD2 LEU A 42 3.687 0.209 -1.567 1.00 0.00 C ATOM 0 H LEU A 42 7.389 3.087 -0.345 1.00 0.00 H new ATOM 0 HA LEU A 42 5.265 4.159 -1.702 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.052 1.775 -1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.297 1.590 -0.081 1.00 0.00 H new ATOM 0 HG LEU A 42 3.094 2.227 -1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.984 1.811 -3.640 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.038 3.192 -3.254 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.753 1.620 -3.683 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.751 -0.064 -2.055 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.511 -0.330 -2.034 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.635 -0.053 -0.510 1.00 0.00 H new ATOM 635 N LYS A 43 4.665 3.952 1.516 1.00 0.00 N ATOM 636 CA LYS A 43 3.754 4.376 2.572 1.00 0.00 C ATOM 637 C LYS A 43 3.630 5.895 2.608 1.00 0.00 C ATOM 638 O LYS A 43 2.541 6.444 2.439 1.00 0.00 O ATOM 639 CB LYS A 43 4.239 3.861 3.929 1.00 0.00 C ATOM 640 CG LYS A 43 3.194 3.960 5.027 1.00 0.00 C ATOM 641 CD LYS A 43 3.561 3.103 6.226 1.00 0.00 C ATOM 642 CE LYS A 43 3.146 1.654 6.024 1.00 0.00 C ATOM 643 NZ LYS A 43 3.670 0.771 7.102 1.00 0.00 N ATOM 0 H LYS A 43 5.539 3.546 1.851 1.00 0.00 H new ATOM 0 HA LYS A 43 2.771 3.955 2.360 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.546 2.820 3.824 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.122 4.426 4.228 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.091 4.999 5.340 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.225 3.647 4.638 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.637 3.154 6.395 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.078 3.500 7.119 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.058 1.588 5.997 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.510 1.303 5.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.365 -0.208 6.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.709 0.814 7.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.302 1.090 8.021 1.00 0.00 H new ATOM 657 N ASP A 44 4.753 6.570 2.828 1.00 0.00 N ATOM 658 CA ASP A 44 4.771 8.028 2.883 1.00 0.00 C ATOM 659 C ASP A 44 4.147 8.627 1.626 1.00 0.00 C ATOM 660 O ASP A 44 3.640 9.749 1.647 1.00 0.00 O ATOM 661 CB ASP A 44 6.205 8.535 3.046 1.00 0.00 C ATOM 662 CG ASP A 44 6.263 9.908 3.687 1.00 0.00 C ATOM 663 OD1 ASP A 44 5.305 10.688 3.507 1.00 0.00 O ATOM 664 OD2 ASP A 44 7.267 10.201 4.370 1.00 0.00 O ATOM 0 H ASP A 44 5.663 6.131 2.971 1.00 0.00 H new ATOM 0 HA ASP A 44 4.182 8.342 3.745 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.770 7.829 3.654 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.688 8.572 2.069 1.00 0.00 H new ATOM 669 N HIS A 45 4.187 7.871 0.533 1.00 0.00 N ATOM 670 CA HIS A 45 3.625 8.328 -0.733 1.00 0.00 C ATOM 671 C HIS A 45 2.120 8.549 -0.611 1.00 0.00 C ATOM 672 O HIS A 45 1.573 9.491 -1.183 1.00 0.00 O ATOM 673 CB HIS A 45 3.916 7.313 -1.839 1.00 0.00 C ATOM 674 CG HIS A 45 3.900 7.906 -3.214 1.00 0.00 C ATOM 675 ND1 HIS A 45 5.012 7.946 -4.029 1.00 0.00 N ATOM 676 CD2 HIS A 45 2.899 8.483 -3.919 1.00 0.00 C ATOM 677 CE1 HIS A 45 4.695 8.524 -5.174 1.00 0.00 C ATOM 678 NE2 HIS A 45 3.418 8.859 -5.133 1.00 0.00 N ATOM 0 H HIS A 45 4.602 6.940 0.499 1.00 0.00 H new ATOM 0 HA HIS A 45 4.094 9.278 -0.989 1.00 0.00 H new ATOM 0 HB2 HIS A 45 4.891 6.861 -1.658 1.00 0.00 H new ATOM 0 HB3 HIS A 45 3.179 6.512 -1.789 1.00 0.00 H new ATOM 0 HD2 HIS A 45 1.880 8.622 -3.588 1.00 0.00 H new ATOM 0 HE1 HIS A 45 5.366 8.694 -6.003 1.00 0.00 H new ATOM 0 HE2 HIS A 45 2.902 9.322 -5.881 1.00 0.00 H new ATOM 687 N PHE A 46 1.457 7.673 0.137 1.00 0.00 N ATOM 688 CA PHE A 46 0.015 7.772 0.332 1.00 0.00 C ATOM 689 C PHE A 46 -0.311 8.642 1.542 1.00 0.00 C ATOM 690 O PHE A 46 -1.323 9.344 1.561 1.00 0.00 O ATOM 691 CB PHE A 46 -0.593 6.380 0.512 1.00 0.00 C ATOM 692 CG PHE A 46 -0.794 5.642 -0.781 1.00 0.00 C ATOM 693 CD1 PHE A 46 0.246 4.932 -1.358 1.00 0.00 C ATOM 694 CD2 PHE A 46 -2.024 5.659 -1.419 1.00 0.00 C ATOM 695 CE1 PHE A 46 0.064 4.251 -2.547 1.00 0.00 C ATOM 696 CE2 PHE A 46 -2.212 4.981 -2.608 1.00 0.00 C ATOM 697 CZ PHE A 46 -1.166 4.277 -3.174 1.00 0.00 C ATOM 0 H PHE A 46 1.895 6.887 0.618 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.416 8.237 -0.555 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.055 5.790 1.161 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.553 6.474 1.020 1.00 0.00 H new ATOM 0 HD1 PHE A 46 1.211 4.910 -0.873 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.845 6.208 -0.982 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.883 3.699 -2.985 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.176 5.001 -3.095 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.310 3.748 -4.105 1.00 0.00 H new ATOM 707 N SER A 47 0.552 8.590 2.551 1.00 0.00 N ATOM 708 CA SER A 47 0.354 9.370 3.768 1.00 0.00 C ATOM 709 C SER A 47 0.274 10.860 3.451 1.00 0.00 C ATOM 710 O SER A 47 -0.723 11.518 3.753 1.00 0.00 O ATOM 711 CB SER A 47 1.491 9.108 4.757 1.00 0.00 C ATOM 712 OG SER A 47 2.560 10.016 4.558 1.00 0.00 O ATOM 0 H SER A 47 1.395 8.016 2.550 1.00 0.00 H new ATOM 0 HA SER A 47 -0.589 9.061 4.219 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.118 9.199 5.777 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.851 8.086 4.639 1.00 0.00 H new ATOM 0 HG SER A 47 3.273 9.828 5.203 1.00 0.00 H new ATOM 718 N HIS A 48 1.330 11.386 2.840 1.00 0.00 N ATOM 719 CA HIS A 48 1.380 12.799 2.481 1.00 0.00 C ATOM 720 C HIS A 48 0.212 13.171 1.572 1.00 0.00 C ATOM 721 O HIS A 48 -0.538 14.104 1.859 1.00 0.00 O ATOM 722 CB HIS A 48 2.704 13.124 1.788 1.00 0.00 C ATOM 723 CG HIS A 48 2.639 13.024 0.295 1.00 0.00 C ATOM 724 ND1 HIS A 48 2.426 14.113 -0.524 1.00 0.00 N ATOM 725 CD2 HIS A 48 2.763 11.956 -0.527 1.00 0.00 C ATOM 726 CE1 HIS A 48 2.420 13.719 -1.784 1.00 0.00 C ATOM 727 NE2 HIS A 48 2.623 12.414 -1.813 1.00 0.00 N ATOM 0 H HIS A 48 2.163 10.856 2.583 1.00 0.00 H new ATOM 0 HA HIS A 48 1.305 13.384 3.398 1.00 0.00 H new ATOM 0 HB2 HIS A 48 3.011 14.133 2.063 1.00 0.00 H new ATOM 0 HB3 HIS A 48 3.473 12.445 2.156 1.00 0.00 H new ATOM 0 HD2 HIS A 48 2.939 10.934 -0.227 1.00 0.00 H new ATOM 0 HE1 HIS A 48 2.274 14.355 -2.644 1.00 0.00 H new ATOM 0 HE2 HIS A 48 2.668 11.840 -2.655 1.00 0.00 H new ATOM 736 N LEU A 49 0.065 12.435 0.476 1.00 0.00 N ATOM 737 CA LEU A 49 -1.011 12.687 -0.476 1.00 0.00 C ATOM 738 C LEU A 49 -2.361 12.743 0.231 1.00 0.00 C ATOM 739 O LEU A 49 -3.070 13.747 0.161 1.00 0.00 O ATOM 740 CB LEU A 49 -1.031 11.602 -1.554 1.00 0.00 C ATOM 741 CG LEU A 49 -1.899 11.888 -2.779 1.00 0.00 C ATOM 742 CD1 LEU A 49 -3.312 12.260 -2.357 1.00 0.00 C ATOM 743 CD2 LEU A 49 -1.283 12.994 -3.623 1.00 0.00 C ATOM 0 H LEU A 49 0.677 11.659 0.225 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.827 13.653 -0.946 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.008 11.433 -1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.374 10.673 -1.099 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.949 10.983 -3.384 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.915 12.460 -3.242 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.753 11.436 -1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.282 13.151 -1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.915 13.184 -4.491 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.201 13.903 -3.028 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.291 12.688 -3.956 1.00 0.00 H new ATOM 755 N LEU A 50 -2.711 11.658 0.913 1.00 0.00 N ATOM 756 CA LEU A 50 -3.975 11.583 1.636 1.00 0.00 C ATOM 757 C LEU A 50 -4.084 12.706 2.662 1.00 0.00 C ATOM 758 O LEU A 50 -5.178 13.056 3.102 1.00 0.00 O ATOM 759 CB LEU A 50 -4.108 10.227 2.332 1.00 0.00 C ATOM 760 CG LEU A 50 -4.385 9.030 1.422 1.00 0.00 C ATOM 761 CD1 LEU A 50 -4.406 7.740 2.228 1.00 0.00 C ATOM 762 CD2 LEU A 50 -5.699 9.217 0.678 1.00 0.00 C ATOM 0 H LEU A 50 -2.137 10.818 0.980 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.784 11.695 0.914 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.189 10.033 2.884 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.912 10.295 3.065 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.582 8.963 0.688 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.605 6.899 1.564 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.440 7.599 2.714 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.188 7.797 2.985 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.879 8.355 0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.514 9.311 1.396 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.647 10.119 0.069 1.00 0.00 H new ATOM 774 N GLY A 51 -2.940 13.271 3.038 1.00 0.00 N ATOM 775 CA GLY A 51 -2.928 14.351 4.007 1.00 0.00 C ATOM 776 C GLY A 51 -2.840 13.847 5.434 1.00 0.00 C ATOM 777 O GLY A 51 -2.915 14.631 6.381 1.00 0.00 O ATOM 0 H GLY A 51 -2.021 12.999 2.688 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.082 15.008 3.804 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.832 14.949 3.891 1.00 0.00 H new ATOM 781 N ILE A 52 -2.681 12.537 5.589 1.00 0.00 N ATOM 782 CA ILE A 52 -2.583 11.931 6.911 1.00 0.00 C ATOM 783 C ILE A 52 -1.222 11.275 7.116 1.00 0.00 C ATOM 784 O ILE A 52 -0.578 10.818 6.172 1.00 0.00 O ATOM 785 CB ILE A 52 -3.687 10.879 7.132 1.00 0.00 C ATOM 786 CG1 ILE A 52 -3.512 9.714 6.156 1.00 0.00 C ATOM 787 CG2 ILE A 52 -5.061 11.511 6.969 1.00 0.00 C ATOM 788 CD1 ILE A 52 -4.564 8.638 6.306 1.00 0.00 C ATOM 0 H ILE A 52 -2.617 11.875 4.816 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.709 12.735 7.636 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.604 10.494 8.148 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.539 10.098 5.136 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.527 9.271 6.304 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.830 10.755 7.128 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.182 12.311 7.699 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.156 11.920 5.963 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.378 7.844 5.583 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.523 8.227 7.315 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.550 9.066 6.129 1.00 0.00 H new ATOM 800 N PRO A 53 -0.774 11.224 8.379 1.00 0.00 N ATOM 801 CA PRO A 53 0.514 10.623 8.738 1.00 0.00 C ATOM 802 C PRO A 53 0.512 9.107 8.574 1.00 0.00 C ATOM 803 O PRO A 53 -0.544 8.474 8.572 1.00 0.00 O ATOM 804 CB PRO A 53 0.684 11.001 10.211 1.00 0.00 C ATOM 805 CG PRO A 53 -0.704 11.200 10.713 1.00 0.00 C ATOM 806 CD PRO A 53 -1.489 11.749 9.554 1.00 0.00 C ATOM 0 HA PRO A 53 1.321 10.977 8.097 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.196 10.215 10.765 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.279 11.908 10.321 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.131 10.260 11.063 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.719 11.890 11.556 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -2.526 11.414 9.576 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -1.506 12.839 9.560 1.00 0.00 H new ATOM 814 N HIS A 54 1.701 8.529 8.436 1.00 0.00 N ATOM 815 CA HIS A 54 1.836 7.086 8.272 1.00 0.00 C ATOM 816 C HIS A 54 1.691 6.371 9.612 1.00 0.00 C ATOM 817 O HIS A 54 1.420 5.172 9.661 1.00 0.00 O ATOM 818 CB HIS A 54 3.188 6.747 7.644 1.00 0.00 C ATOM 819 CG HIS A 54 4.357 7.273 8.418 1.00 0.00 C ATOM 820 ND1 HIS A 54 4.768 6.736 9.620 1.00 0.00 N ATOM 821 CD2 HIS A 54 5.206 8.294 8.155 1.00 0.00 C ATOM 822 CE1 HIS A 54 5.818 7.404 10.063 1.00 0.00 C ATOM 823 NE2 HIS A 54 6.104 8.355 9.192 1.00 0.00 N ATOM 0 H HIS A 54 2.585 9.038 8.434 1.00 0.00 H new ATOM 0 HA HIS A 54 1.040 6.745 7.610 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.278 5.664 7.557 1.00 0.00 H new ATOM 0 HB3 HIS A 54 3.221 7.151 6.632 1.00 0.00 H new ATOM 0 HD2 HIS A 54 5.182 8.940 7.290 1.00 0.00 H new ATOM 0 HE1 HIS A 54 6.352 7.206 10.981 1.00 0.00 H new ATOM 0 HE2 HIS A 54 6.868 9.026 9.276 1.00 0.00 H new ATOM 832 N SER A 55 1.874 7.116 10.698 1.00 0.00 N ATOM 833 CA SER A 55 1.768 6.553 12.038 1.00 0.00 C ATOM 834 C SER A 55 0.439 5.826 12.219 1.00 0.00 C ATOM 835 O SER A 55 0.373 4.779 12.863 1.00 0.00 O ATOM 836 CB SER A 55 1.906 7.655 13.090 1.00 0.00 C ATOM 837 OG SER A 55 2.142 7.107 14.376 1.00 0.00 O ATOM 0 H SER A 55 2.096 8.111 10.675 1.00 0.00 H new ATOM 0 HA SER A 55 2.577 5.834 12.167 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.726 8.320 12.819 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.999 8.259 13.110 1.00 0.00 H new ATOM 0 HG SER A 55 2.228 7.832 15.030 1.00 0.00 H new ATOM 843 N VAL A 56 -0.619 6.389 11.644 1.00 0.00 N ATOM 844 CA VAL A 56 -1.947 5.795 11.739 1.00 0.00 C ATOM 845 C VAL A 56 -2.204 4.835 10.583 1.00 0.00 C ATOM 846 O VAL A 56 -2.701 3.726 10.781 1.00 0.00 O ATOM 847 CB VAL A 56 -3.046 6.875 11.749 1.00 0.00 C ATOM 848 CG1 VAL A 56 -2.863 7.812 12.934 1.00 0.00 C ATOM 849 CG2 VAL A 56 -3.042 7.650 10.440 1.00 0.00 C ATOM 0 H VAL A 56 -0.582 7.256 11.107 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.980 5.244 12.679 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.014 6.384 11.851 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.648 8.568 12.925 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.920 7.242 13.861 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.890 8.299 12.866 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.824 8.409 10.464 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.073 8.132 10.305 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.225 6.966 9.612 1.00 0.00 H new ATOM 859 N LEU A 57 -1.863 5.269 9.374 1.00 0.00 N ATOM 860 CA LEU A 57 -2.056 4.448 8.184 1.00 0.00 C ATOM 861 C LEU A 57 -1.145 3.224 8.213 1.00 0.00 C ATOM 862 O LEU A 57 0.014 3.312 8.616 1.00 0.00 O ATOM 863 CB LEU A 57 -1.783 5.271 6.923 1.00 0.00 C ATOM 864 CG LEU A 57 -1.253 4.495 5.717 1.00 0.00 C ATOM 865 CD1 LEU A 57 -2.343 3.613 5.128 1.00 0.00 C ATOM 866 CD2 LEU A 57 -0.710 5.451 4.665 1.00 0.00 C ATOM 0 H LEU A 57 -1.452 6.185 9.192 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.091 4.107 8.172 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.707 5.769 6.631 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.064 6.052 7.172 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.438 3.854 6.051 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.947 3.069 4.271 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.684 2.904 5.882 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.180 4.234 4.808 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.337 4.882 3.814 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.506 6.118 4.334 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.102 6.039 5.092 1.00 0.00 H new ATOM 878 N GLN A 58 -1.679 2.086 7.781 1.00 0.00 N ATOM 879 CA GLN A 58 -0.913 0.845 7.757 1.00 0.00 C ATOM 880 C GLN A 58 -1.245 0.026 6.514 1.00 0.00 C ATOM 881 O GLN A 58 -2.169 0.355 5.770 1.00 0.00 O ATOM 882 CB GLN A 58 -1.196 0.022 9.015 1.00 0.00 C ATOM 883 CG GLN A 58 -0.932 0.778 10.308 1.00 0.00 C ATOM 884 CD GLN A 58 0.541 0.828 10.665 1.00 0.00 C ATOM 885 OE1 GLN A 58 1.317 1.556 10.045 1.00 0.00 O ATOM 886 NE2 GLN A 58 0.934 0.052 11.668 1.00 0.00 N ATOM 0 H GLN A 58 -2.637 1.997 7.443 1.00 0.00 H new ATOM 0 HA GLN A 58 0.146 1.101 7.730 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.236 -0.304 9.000 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.580 -0.877 8.997 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.314 1.795 10.214 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.483 0.304 11.120 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.256 -0.536 12.154 1.00 0.00 H new ATOM 0 HE22 GLN A 58 1.913 0.043 11.953 1.00 0.00 H new ATOM 895 N ILE A 59 -0.485 -1.042 6.296 1.00 0.00 N ATOM 896 CA ILE A 59 -0.699 -1.909 5.144 1.00 0.00 C ATOM 897 C ILE A 59 -0.805 -3.370 5.567 1.00 0.00 C ATOM 898 O ILE A 59 -0.164 -3.797 6.528 1.00 0.00 O ATOM 899 CB ILE A 59 0.437 -1.766 4.113 1.00 0.00 C ATOM 900 CG1 ILE A 59 0.567 -0.309 3.665 1.00 0.00 C ATOM 901 CG2 ILE A 59 0.184 -2.673 2.918 1.00 0.00 C ATOM 902 CD1 ILE A 59 1.966 0.065 3.227 1.00 0.00 C ATOM 0 H ILE A 59 0.284 -1.328 6.902 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.637 -1.597 4.685 1.00 0.00 H new ATOM 0 HB ILE A 59 1.374 -2.067 4.581 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.124 -0.127 2.842 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.265 0.343 4.484 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.995 -2.561 2.198 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.136 -3.710 3.252 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.760 -2.399 2.447 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.984 1.112 2.923 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.659 -0.085 4.055 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.264 -0.562 2.387 1.00 0.00 H new ATOM 914 N ARG A 60 -1.617 -4.133 4.842 1.00 0.00 N ATOM 915 CA ARG A 60 -1.807 -5.547 5.142 1.00 0.00 C ATOM 916 C ARG A 60 -1.457 -6.410 3.934 1.00 0.00 C ATOM 917 O ARG A 60 -1.777 -6.064 2.797 1.00 0.00 O ATOM 918 CB ARG A 60 -3.252 -5.810 5.569 1.00 0.00 C ATOM 919 CG ARG A 60 -3.399 -6.968 6.542 1.00 0.00 C ATOM 920 CD ARG A 60 -4.842 -7.436 6.639 1.00 0.00 C ATOM 921 NE ARG A 60 -5.585 -6.713 7.668 1.00 0.00 N ATOM 922 CZ ARG A 60 -6.899 -6.813 7.833 1.00 0.00 C ATOM 923 NH1 ARG A 60 -7.612 -7.602 7.041 1.00 0.00 N ATOM 924 NH2 ARG A 60 -7.503 -6.124 8.793 1.00 0.00 N ATOM 0 H ARG A 60 -2.154 -3.796 4.043 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.140 -5.812 5.962 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.656 -4.908 6.028 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.853 -6.013 4.682 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -2.768 -7.797 6.221 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.048 -6.663 7.528 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.332 -7.300 5.675 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -4.863 -8.503 6.860 1.00 0.00 H new ATOM 0 HE ARG A 60 -5.066 -6.097 8.294 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.151 -8.134 6.303 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -8.621 -7.677 7.170 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -6.958 -5.517 9.405 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -8.512 -6.202 8.919 1.00 0.00 H new ATOM 938 N TYR A 61 -0.797 -7.535 4.188 1.00 0.00 N ATOM 939 CA TYR A 61 -0.401 -8.447 3.122 1.00 0.00 C ATOM 940 C TYR A 61 -0.240 -9.868 3.652 1.00 0.00 C ATOM 941 O TYR A 61 0.429 -10.095 4.661 1.00 0.00 O ATOM 942 CB TYR A 61 0.907 -7.978 2.482 1.00 0.00 C ATOM 943 CG TYR A 61 1.514 -8.989 1.535 1.00 0.00 C ATOM 944 CD1 TYR A 61 1.033 -9.132 0.239 1.00 0.00 C ATOM 945 CD2 TYR A 61 2.569 -9.799 1.935 1.00 0.00 C ATOM 946 CE1 TYR A 61 1.583 -10.055 -0.629 1.00 0.00 C ATOM 947 CE2 TYR A 61 3.127 -10.723 1.073 1.00 0.00 C ATOM 948 CZ TYR A 61 2.630 -10.848 -0.208 1.00 0.00 C ATOM 949 OH TYR A 61 3.183 -11.767 -1.070 1.00 0.00 O ATOM 0 H TYR A 61 -0.525 -7.837 5.124 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.188 -8.448 2.368 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.725 -7.050 1.941 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.626 -7.752 3.269 1.00 0.00 H new ATOM 0 HD1 TYR A 61 0.215 -8.511 -0.095 1.00 0.00 H new ATOM 0 HD2 TYR A 61 2.960 -9.705 2.937 1.00 0.00 H new ATOM 0 HE1 TYR A 61 1.195 -10.155 -1.632 1.00 0.00 H new ATOM 0 HE2 TYR A 61 3.948 -11.344 1.400 1.00 0.00 H new ATOM 0 HH TYR A 61 3.911 -12.243 -0.618 1.00 0.00 H new ATOM 959 N SER A 62 -0.858 -10.823 2.964 1.00 0.00 N ATOM 960 CA SER A 62 -0.787 -12.223 3.366 1.00 0.00 C ATOM 961 C SER A 62 -1.322 -12.409 4.782 1.00 0.00 C ATOM 962 O SER A 62 -0.954 -13.355 5.478 1.00 0.00 O ATOM 963 CB SER A 62 0.655 -12.727 3.282 1.00 0.00 C ATOM 964 OG SER A 62 0.985 -13.114 1.960 1.00 0.00 O ATOM 0 H SER A 62 -1.413 -10.653 2.126 1.00 0.00 H new ATOM 0 HA SER A 62 -1.407 -12.804 2.683 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.337 -11.945 3.616 1.00 0.00 H new ATOM 0 HB3 SER A 62 0.787 -13.574 3.956 1.00 0.00 H new ATOM 0 HG SER A 62 1.610 -12.464 1.575 1.00 0.00 H new ATOM 970 N GLY A 63 -2.194 -11.498 5.204 1.00 0.00 N ATOM 971 CA GLY A 63 -2.766 -11.578 6.535 1.00 0.00 C ATOM 972 C GLY A 63 -1.786 -11.159 7.613 1.00 0.00 C ATOM 973 O GLY A 63 -2.079 -11.264 8.805 1.00 0.00 O ATOM 0 H GLY A 63 -2.514 -10.706 4.647 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.651 -10.943 6.586 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.095 -12.600 6.725 1.00 0.00 H new ATOM 977 N LYS A 64 -0.618 -10.683 7.196 1.00 0.00 N ATOM 978 CA LYS A 64 0.410 -10.246 8.134 1.00 0.00 C ATOM 979 C LYS A 64 0.735 -8.769 7.936 1.00 0.00 C ATOM 980 O LYS A 64 0.820 -8.290 6.805 1.00 0.00 O ATOM 981 CB LYS A 64 1.677 -11.086 7.961 1.00 0.00 C ATOM 982 CG LYS A 64 2.630 -10.541 6.911 1.00 0.00 C ATOM 983 CD LYS A 64 3.936 -11.317 6.886 1.00 0.00 C ATOM 984 CE LYS A 64 3.863 -12.501 5.934 1.00 0.00 C ATOM 985 NZ LYS A 64 5.023 -13.419 6.100 1.00 0.00 N ATOM 0 H LYS A 64 -0.359 -10.590 6.214 1.00 0.00 H new ATOM 0 HA LYS A 64 0.026 -10.383 9.145 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.198 -11.144 8.917 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.394 -12.103 7.690 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.158 -10.590 5.930 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.834 -9.490 7.114 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.748 -10.655 6.584 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.170 -11.670 7.890 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.938 -13.050 6.108 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.831 -12.139 4.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.936 -14.213 5.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.905 -12.902 5.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.040 -13.785 7.073 1.00 0.00 H new ATOM 999 N ILE A 65 0.916 -8.054 9.041 1.00 0.00 N ATOM 1000 CA ILE A 65 1.235 -6.633 8.987 1.00 0.00 C ATOM 1001 C ILE A 65 2.707 -6.412 8.656 1.00 0.00 C ATOM 1002 O ILE A 65 3.591 -6.789 9.426 1.00 0.00 O ATOM 1003 CB ILE A 65 0.909 -5.932 10.320 1.00 0.00 C ATOM 1004 CG1 ILE A 65 -0.554 -6.167 10.700 1.00 0.00 C ATOM 1005 CG2 ILE A 65 1.204 -4.443 10.221 1.00 0.00 C ATOM 1006 CD1 ILE A 65 -1.528 -5.825 9.594 1.00 0.00 C ATOM 0 H ILE A 65 0.847 -8.435 9.984 1.00 0.00 H new ATOM 0 HA ILE A 65 0.619 -6.201 8.198 1.00 0.00 H new ATOM 0 HB ILE A 65 1.540 -6.356 11.101 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.685 -7.213 10.978 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.793 -5.571 11.581 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.969 -3.962 11.170 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.259 -4.296 9.991 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.596 -4.003 9.431 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.546 -6.016 9.934 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.425 -4.772 9.331 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.316 -6.440 8.719 1.00 0.00 H new ATOM 1018 N LEU A 66 2.962 -5.796 7.507 1.00 0.00 N ATOM 1019 CA LEU A 66 4.328 -5.521 7.074 1.00 0.00 C ATOM 1020 C LEU A 66 4.896 -4.306 7.800 1.00 0.00 C ATOM 1021 O LEU A 66 4.153 -3.502 8.362 1.00 0.00 O ATOM 1022 CB LEU A 66 4.368 -5.290 5.562 1.00 0.00 C ATOM 1023 CG LEU A 66 3.410 -6.142 4.728 1.00 0.00 C ATOM 1024 CD1 LEU A 66 3.537 -5.798 3.252 1.00 0.00 C ATOM 1025 CD2 LEU A 66 3.677 -7.623 4.957 1.00 0.00 C ATOM 0 H LEU A 66 2.242 -5.478 6.859 1.00 0.00 H new ATOM 0 HA LEU A 66 4.942 -6.388 7.320 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.150 -4.240 5.369 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.384 -5.474 5.213 1.00 0.00 H new ATOM 0 HG LEU A 66 2.390 -5.923 5.045 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.848 -6.414 2.674 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.296 -4.746 3.102 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.558 -5.987 2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.986 -8.214 4.356 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.702 -7.857 4.668 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.534 -7.860 6.011 1.00 0.00 H new ATOM 1037 N LYS A 67 6.219 -4.178 7.783 1.00 0.00 N ATOM 1038 CA LYS A 67 6.888 -3.060 8.437 1.00 0.00 C ATOM 1039 C LYS A 67 7.544 -2.143 7.409 1.00 0.00 C ATOM 1040 O LYS A 67 7.709 -2.514 6.248 1.00 0.00 O ATOM 1041 CB LYS A 67 7.939 -3.574 9.423 1.00 0.00 C ATOM 1042 CG LYS A 67 8.617 -2.472 10.219 1.00 0.00 C ATOM 1043 CD LYS A 67 9.139 -2.986 11.550 1.00 0.00 C ATOM 1044 CE LYS A 67 9.483 -1.843 12.493 1.00 0.00 C ATOM 1045 NZ LYS A 67 10.867 -1.339 12.273 1.00 0.00 N ATOM 0 H LYS A 67 6.849 -4.835 7.323 1.00 0.00 H new ATOM 0 HA LYS A 67 6.138 -2.488 8.982 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.466 -4.272 10.114 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.697 -4.133 8.874 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.442 -2.058 9.639 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.911 -1.660 10.393 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.389 -3.628 12.013 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.024 -3.600 11.382 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.773 -1.028 12.350 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.379 -2.179 13.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.062 -0.561 12.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.547 -2.109 12.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.960 -0.994 11.296 1.00 0.00 H new ATOM 1059 N ASN A 68 7.918 -0.945 7.846 1.00 0.00 N ATOM 1060 CA ASN A 68 8.558 0.025 6.964 1.00 0.00 C ATOM 1061 C ASN A 68 9.978 -0.410 6.616 1.00 0.00 C ATOM 1062 O ASN A 68 10.365 -0.426 5.448 1.00 0.00 O ATOM 1063 CB ASN A 68 8.582 1.406 7.622 1.00 0.00 C ATOM 1064 CG ASN A 68 9.161 1.369 9.023 1.00 0.00 C ATOM 1065 OD1 ASN A 68 8.639 0.686 9.904 1.00 0.00 O ATOM 1066 ND2 ASN A 68 10.245 2.106 9.235 1.00 0.00 N ATOM 0 H ASN A 68 7.789 -0.622 8.805 1.00 0.00 H new ATOM 0 HA ASN A 68 7.978 0.079 6.043 1.00 0.00 H new ATOM 0 HB2 ASN A 68 9.169 2.088 7.007 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.568 1.804 7.661 1.00 0.00 H new ATOM 0 HD21 ASN A 68 10.679 2.121 10.158 1.00 0.00 H new ATOM 0 HD22 ASN A 68 10.644 2.657 8.475 1.00 0.00 H new ATOM 1073 N ASN A 69 10.750 -0.762 7.639 1.00 0.00 N ATOM 1074 CA ASN A 69 12.128 -1.198 7.442 1.00 0.00 C ATOM 1075 C ASN A 69 12.176 -2.559 6.754 1.00 0.00 C ATOM 1076 O ASN A 69 13.251 -3.075 6.452 1.00 0.00 O ATOM 1077 CB ASN A 69 12.860 -1.266 8.784 1.00 0.00 C ATOM 1078 CG ASN A 69 14.187 -1.994 8.682 1.00 0.00 C ATOM 1079 OD1 ASN A 69 14.277 -3.187 8.971 1.00 0.00 O ATOM 1080 ND2 ASN A 69 15.225 -1.276 8.270 1.00 0.00 N ATOM 0 H ASN A 69 10.445 -0.754 8.612 1.00 0.00 H new ATOM 0 HA ASN A 69 12.625 -0.470 6.801 1.00 0.00 H new ATOM 0 HB2 ASN A 69 13.031 -0.255 9.153 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.227 -1.770 9.515 1.00 0.00 H new ATOM 0 HD21 ASN A 69 16.143 -1.711 8.182 1.00 0.00 H new ATOM 0 HD22 ASN A 69 15.104 -0.289 8.041 1.00 0.00 H new ATOM 1087 N GLU A 70 11.002 -3.134 6.511 1.00 0.00 N ATOM 1088 CA GLU A 70 10.910 -4.435 5.859 1.00 0.00 C ATOM 1089 C GLU A 70 10.977 -4.289 4.341 1.00 0.00 C ATOM 1090 O GLU A 70 10.730 -3.212 3.797 1.00 0.00 O ATOM 1091 CB GLU A 70 9.613 -5.140 6.258 1.00 0.00 C ATOM 1092 CG GLU A 70 9.720 -5.923 7.556 1.00 0.00 C ATOM 1093 CD GLU A 70 10.442 -7.245 7.382 1.00 0.00 C ATOM 1094 OE1 GLU A 70 10.330 -7.842 6.291 1.00 0.00 O ATOM 1095 OE2 GLU A 70 11.119 -7.682 8.336 1.00 0.00 O ATOM 0 H GLU A 70 10.103 -2.720 6.756 1.00 0.00 H new ATOM 0 HA GLU A 70 11.757 -5.037 6.186 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.821 -4.397 6.356 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.317 -5.818 5.458 1.00 0.00 H new ATOM 0 HG2 GLU A 70 10.246 -5.321 8.297 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.720 -6.108 7.948 1.00 0.00 H new ATOM 1102 N THR A 71 11.313 -5.381 3.662 1.00 0.00 N ATOM 1103 CA THR A 71 11.413 -5.376 2.208 1.00 0.00 C ATOM 1104 C THR A 71 10.488 -6.417 1.588 1.00 0.00 C ATOM 1105 O THR A 71 10.237 -7.469 2.179 1.00 0.00 O ATOM 1106 CB THR A 71 12.857 -5.647 1.744 1.00 0.00 C ATOM 1107 OG1 THR A 71 13.785 -5.156 2.717 1.00 0.00 O ATOM 1108 CG2 THR A 71 13.127 -4.986 0.400 1.00 0.00 C ATOM 0 H THR A 71 11.521 -6.280 4.096 1.00 0.00 H new ATOM 0 HA THR A 71 11.112 -4.383 1.874 1.00 0.00 H new ATOM 0 HB THR A 71 12.983 -6.724 1.634 1.00 0.00 H new ATOM 0 HG1 THR A 71 14.700 -5.334 2.415 1.00 0.00 H new ATOM 0 HG21 THR A 71 14.153 -5.191 0.093 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.439 -5.383 -0.346 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.983 -3.909 0.489 1.00 0.00 H new ATOM 1116 N LEU A 72 9.985 -6.120 0.396 1.00 0.00 N ATOM 1117 CA LEU A 72 9.087 -7.032 -0.305 1.00 0.00 C ATOM 1118 C LEU A 72 9.759 -8.380 -0.545 1.00 0.00 C ATOM 1119 O LEU A 72 9.159 -9.432 -0.327 1.00 0.00 O ATOM 1120 CB LEU A 72 8.648 -6.423 -1.638 1.00 0.00 C ATOM 1121 CG LEU A 72 7.529 -5.384 -1.565 1.00 0.00 C ATOM 1122 CD1 LEU A 72 6.240 -6.021 -1.070 1.00 0.00 C ATOM 1123 CD2 LEU A 72 7.934 -4.226 -0.664 1.00 0.00 C ATOM 0 H LEU A 72 10.183 -5.255 -0.106 1.00 0.00 H new ATOM 0 HA LEU A 72 8.209 -7.191 0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.516 -5.960 -2.107 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.324 -7.231 -2.295 1.00 0.00 H new ATOM 0 HG LEU A 72 7.356 -4.994 -2.568 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.455 -5.266 -1.025 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.941 -6.815 -1.754 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.399 -6.439 -0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.125 -3.496 -0.624 1.00 0.00 H new ATOM 0 HD22 LEU A 72 8.136 -4.599 0.340 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.831 -3.752 -1.062 1.00 0.00 H new ATOM 1135 N VAL A 73 11.010 -8.341 -0.993 1.00 0.00 N ATOM 1136 CA VAL A 73 11.765 -9.559 -1.259 1.00 0.00 C ATOM 1137 C VAL A 73 12.024 -10.337 0.026 1.00 0.00 C ATOM 1138 O VAL A 73 12.191 -11.556 0.001 1.00 0.00 O ATOM 1139 CB VAL A 73 13.112 -9.247 -1.938 1.00 0.00 C ATOM 1140 CG1 VAL A 73 12.890 -8.696 -3.338 1.00 0.00 C ATOM 1141 CG2 VAL A 73 13.920 -8.272 -1.094 1.00 0.00 C ATOM 0 H VAL A 73 11.522 -7.479 -1.179 1.00 0.00 H new ATOM 0 HA VAL A 73 11.159 -10.166 -1.932 1.00 0.00 H new ATOM 0 HB VAL A 73 13.679 -10.174 -2.025 1.00 0.00 H new ATOM 0 HG11 VAL A 73 13.853 -8.482 -3.802 1.00 0.00 H new ATOM 0 HG12 VAL A 73 12.354 -9.432 -3.938 1.00 0.00 H new ATOM 0 HG13 VAL A 73 12.303 -7.779 -3.279 1.00 0.00 H new ATOM 0 HG21 VAL A 73 14.869 -8.062 -1.588 1.00 0.00 H new ATOM 0 HG22 VAL A 73 13.361 -7.344 -0.974 1.00 0.00 H new ATOM 0 HG23 VAL A 73 14.110 -8.710 -0.114 1.00 0.00 H new ATOM 1151 N GLN A 74 12.055 -9.624 1.147 1.00 0.00 N ATOM 1152 CA GLN A 74 12.294 -10.248 2.443 1.00 0.00 C ATOM 1153 C GLN A 74 11.104 -11.107 2.861 1.00 0.00 C ATOM 1154 O GLN A 74 11.251 -12.055 3.632 1.00 0.00 O ATOM 1155 CB GLN A 74 12.566 -9.181 3.504 1.00 0.00 C ATOM 1156 CG GLN A 74 14.033 -8.801 3.622 1.00 0.00 C ATOM 1157 CD GLN A 74 14.395 -8.293 5.004 1.00 0.00 C ATOM 1158 OE1 GLN A 74 14.145 -8.960 6.008 1.00 0.00 O ATOM 1159 NE2 GLN A 74 14.988 -7.106 5.062 1.00 0.00 N ATOM 0 H GLN A 74 11.918 -8.614 1.184 1.00 0.00 H new ATOM 0 HA GLN A 74 13.169 -10.891 2.353 1.00 0.00 H new ATOM 0 HB2 GLN A 74 11.986 -8.289 3.267 1.00 0.00 H new ATOM 0 HB3 GLN A 74 12.214 -9.543 4.470 1.00 0.00 H new ATOM 0 HG2 GLN A 74 14.649 -9.668 3.385 1.00 0.00 H new ATOM 0 HG3 GLN A 74 14.266 -8.033 2.884 1.00 0.00 H new ATOM 0 HE21 GLN A 74 15.176 -6.587 4.204 1.00 0.00 H new ATOM 0 HE22 GLN A 74 15.255 -6.713 5.964 1.00 0.00 H new ATOM 1168 N HIS A 75 9.926 -10.768 2.346 1.00 0.00 N ATOM 1169 CA HIS A 75 8.711 -11.508 2.666 1.00 0.00 C ATOM 1170 C HIS A 75 8.465 -12.615 1.645 1.00 0.00 C ATOM 1171 O HIS A 75 8.052 -13.718 1.999 1.00 0.00 O ATOM 1172 CB HIS A 75 7.510 -10.563 2.711 1.00 0.00 C ATOM 1173 CG HIS A 75 7.428 -9.758 3.971 1.00 0.00 C ATOM 1174 ND1 HIS A 75 6.895 -10.249 5.145 1.00 0.00 N ATOM 1175 CD2 HIS A 75 7.816 -8.489 4.239 1.00 0.00 C ATOM 1176 CE1 HIS A 75 6.958 -9.317 6.078 1.00 0.00 C ATOM 1177 NE2 HIS A 75 7.513 -8.239 5.554 1.00 0.00 N ATOM 0 H HIS A 75 9.788 -9.986 1.706 1.00 0.00 H new ATOM 0 HA HIS A 75 8.841 -11.965 3.647 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.560 -9.885 1.859 1.00 0.00 H new ATOM 0 HB3 HIS A 75 6.595 -11.146 2.602 1.00 0.00 H new ATOM 0 HD2 HIS A 75 8.278 -7.801 3.547 1.00 0.00 H new ATOM 0 HE1 HIS A 75 6.614 -9.419 7.097 1.00 0.00 H new ATOM 0 HE2 HIS A 75 7.688 -7.363 6.047 1.00 0.00 H new ATOM 1186 N GLY A 76 8.720 -12.311 0.376 1.00 0.00 N ATOM 1187 CA GLY A 76 8.519 -13.290 -0.676 1.00 0.00 C ATOM 1188 C GLY A 76 7.872 -12.691 -1.909 1.00 0.00 C ATOM 1189 O GLY A 76 6.776 -13.091 -2.301 1.00 0.00 O ATOM 0 H GLY A 76 9.062 -11.404 0.058 1.00 0.00 H new ATOM 0 HA2 GLY A 76 9.479 -13.727 -0.949 1.00 0.00 H new ATOM 0 HA3 GLY A 76 7.895 -14.101 -0.299 1.00 0.00 H new ATOM 1193 N VAL A 77 8.552 -11.727 -2.523 1.00 0.00 N ATOM 1194 CA VAL A 77 8.036 -11.071 -3.719 1.00 0.00 C ATOM 1195 C VAL A 77 9.095 -11.015 -4.814 1.00 0.00 C ATOM 1196 O VAL A 77 10.246 -10.658 -4.562 1.00 0.00 O ATOM 1197 CB VAL A 77 7.555 -9.641 -3.411 1.00 0.00 C ATOM 1198 CG1 VAL A 77 6.986 -8.988 -4.662 1.00 0.00 C ATOM 1199 CG2 VAL A 77 6.525 -9.655 -2.292 1.00 0.00 C ATOM 0 H VAL A 77 9.461 -11.383 -2.212 1.00 0.00 H new ATOM 0 HA VAL A 77 7.190 -11.664 -4.066 1.00 0.00 H new ATOM 0 HB VAL A 77 8.410 -9.052 -3.079 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.651 -7.978 -4.425 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.756 -8.944 -5.432 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.142 -9.574 -5.027 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.196 -8.636 -2.087 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.669 -10.259 -2.593 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.971 -10.080 -1.393 1.00 0.00 H new ATOM 1209 N LYS A 78 8.699 -11.369 -6.032 1.00 0.00 N ATOM 1210 CA LYS A 78 9.612 -11.358 -7.168 1.00 0.00 C ATOM 1211 C LYS A 78 9.361 -10.143 -8.056 1.00 0.00 C ATOM 1212 O LYS A 78 8.280 -9.554 -8.051 1.00 0.00 O ATOM 1213 CB LYS A 78 9.457 -12.641 -7.986 1.00 0.00 C ATOM 1214 CG LYS A 78 10.302 -13.795 -7.474 1.00 0.00 C ATOM 1215 CD LYS A 78 10.448 -14.887 -8.520 1.00 0.00 C ATOM 1216 CE LYS A 78 10.833 -16.216 -7.889 1.00 0.00 C ATOM 1217 NZ LYS A 78 10.559 -17.363 -8.799 1.00 0.00 N ATOM 0 H LYS A 78 7.750 -11.667 -6.257 1.00 0.00 H new ATOM 0 HA LYS A 78 10.630 -11.301 -6.783 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.409 -12.940 -7.982 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.726 -12.436 -9.022 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.288 -13.427 -7.191 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.846 -14.210 -6.575 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.510 -14.999 -9.063 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.205 -14.596 -9.248 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.892 -16.202 -7.631 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.280 -16.350 -6.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.835 -18.250 -8.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.544 -17.392 -9.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.106 -17.249 -9.676 1.00 0.00 H new ATOM 1231 N PRO A 79 10.382 -9.758 -8.837 1.00 0.00 N ATOM 1232 CA PRO A 79 10.294 -8.612 -9.746 1.00 0.00 C ATOM 1233 C PRO A 79 9.363 -8.876 -10.924 1.00 0.00 C ATOM 1234 O PRO A 79 9.248 -10.007 -11.393 1.00 0.00 O ATOM 1235 CB PRO A 79 11.735 -8.434 -10.232 1.00 0.00 C ATOM 1236 CG PRO A 79 12.351 -9.783 -10.092 1.00 0.00 C ATOM 1237 CD PRO A 79 11.699 -10.414 -8.893 1.00 0.00 C ATOM 0 HA PRO A 79 9.884 -7.731 -9.253 1.00 0.00 H new ATOM 0 HB2 PRO A 79 11.765 -8.091 -11.266 1.00 0.00 H new ATOM 0 HB3 PRO A 79 12.266 -7.693 -9.635 1.00 0.00 H new ATOM 0 HG2 PRO A 79 12.185 -10.383 -10.987 1.00 0.00 H new ATOM 0 HG3 PRO A 79 13.430 -9.707 -9.955 1.00 0.00 H new ATOM 0 HD2 PRO A 79 11.606 -11.494 -9.008 1.00 0.00 H new ATOM 0 HD3 PRO A 79 12.274 -10.239 -7.984 1.00 0.00 H new ATOM 1245 N GLN A 80 8.702 -7.824 -11.397 1.00 0.00 N ATOM 1246 CA GLN A 80 7.781 -7.944 -12.521 1.00 0.00 C ATOM 1247 C GLN A 80 6.672 -8.943 -12.212 1.00 0.00 C ATOM 1248 O GLN A 80 6.326 -9.778 -13.047 1.00 0.00 O ATOM 1249 CB GLN A 80 8.534 -8.374 -13.781 1.00 0.00 C ATOM 1250 CG GLN A 80 9.059 -7.208 -14.604 1.00 0.00 C ATOM 1251 CD GLN A 80 9.892 -7.658 -15.788 1.00 0.00 C ATOM 1252 OE1 GLN A 80 11.117 -7.746 -15.702 1.00 0.00 O ATOM 1253 NE2 GLN A 80 9.230 -7.945 -16.903 1.00 0.00 N ATOM 0 H GLN A 80 8.787 -6.880 -11.020 1.00 0.00 H new ATOM 0 HA GLN A 80 7.328 -6.968 -12.692 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.370 -9.011 -13.495 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.872 -8.977 -14.402 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.219 -6.613 -14.961 1.00 0.00 H new ATOM 0 HG3 GLN A 80 9.661 -6.560 -13.967 1.00 0.00 H new ATOM 0 HE21 GLN A 80 8.214 -7.858 -16.930 1.00 0.00 H new ATOM 0 HE22 GLN A 80 9.738 -8.252 -17.733 1.00 0.00 H new ATOM 1262 N GLU A 81 6.118 -8.851 -11.007 1.00 0.00 N ATOM 1263 CA GLU A 81 5.049 -9.749 -10.587 1.00 0.00 C ATOM 1264 C GLU A 81 3.793 -8.964 -10.217 1.00 0.00 C ATOM 1265 O GLU A 81 3.830 -7.741 -10.085 1.00 0.00 O ATOM 1266 CB GLU A 81 5.502 -10.598 -9.398 1.00 0.00 C ATOM 1267 CG GLU A 81 5.210 -9.962 -8.050 1.00 0.00 C ATOM 1268 CD GLU A 81 5.496 -10.896 -6.890 1.00 0.00 C ATOM 1269 OE1 GLU A 81 6.239 -11.879 -7.089 1.00 0.00 O ATOM 1270 OE2 GLU A 81 4.977 -10.642 -5.782 1.00 0.00 O ATOM 0 H GLU A 81 6.392 -8.164 -10.305 1.00 0.00 H new ATOM 0 HA GLU A 81 4.813 -10.407 -11.424 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.009 -11.569 -9.447 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.574 -10.780 -9.480 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.810 -9.059 -7.941 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.164 -9.656 -8.016 1.00 0.00 H new ATOM 1277 N ILE A 82 2.684 -9.677 -10.052 1.00 0.00 N ATOM 1278 CA ILE A 82 1.418 -9.048 -9.697 1.00 0.00 C ATOM 1279 C ILE A 82 0.931 -9.526 -8.333 1.00 0.00 C ATOM 1280 O ILE A 82 0.785 -10.726 -8.099 1.00 0.00 O ATOM 1281 CB ILE A 82 0.331 -9.338 -10.748 1.00 0.00 C ATOM 1282 CG1 ILE A 82 0.785 -8.858 -12.128 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -0.978 -8.671 -10.354 1.00 0.00 C ATOM 1284 CD1 ILE A 82 -0.021 -9.443 -13.267 1.00 0.00 C ATOM 0 H ILE A 82 2.637 -10.690 -10.158 1.00 0.00 H new ATOM 0 HA ILE A 82 1.598 -7.974 -9.660 1.00 0.00 H new ATOM 0 HB ILE A 82 0.168 -10.415 -10.793 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.717 -7.771 -12.166 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.835 -9.116 -12.266 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.737 -8.885 -11.107 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.306 -9.056 -9.388 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.831 -7.593 -10.284 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.356 -9.059 -14.215 1.00 0.00 H new ATOM 0 HD12 ILE A 82 0.067 -10.529 -13.255 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.068 -9.163 -13.153 1.00 0.00 H new ATOM 1296 N VAL A 83 0.679 -8.578 -7.435 1.00 0.00 N ATOM 1297 CA VAL A 83 0.205 -8.902 -6.095 1.00 0.00 C ATOM 1298 C VAL A 83 -1.048 -8.104 -5.748 1.00 0.00 C ATOM 1299 O VAL A 83 -1.571 -7.361 -6.578 1.00 0.00 O ATOM 1300 CB VAL A 83 1.287 -8.624 -5.035 1.00 0.00 C ATOM 1301 CG1 VAL A 83 2.630 -9.176 -5.486 1.00 0.00 C ATOM 1302 CG2 VAL A 83 1.382 -7.133 -4.749 1.00 0.00 C ATOM 0 H VAL A 83 0.795 -7.580 -7.612 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.032 -9.966 -6.091 1.00 0.00 H new ATOM 0 HB VAL A 83 1.005 -9.130 -4.112 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.382 -8.970 -4.724 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.549 -10.253 -5.635 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.923 -8.701 -6.423 1.00 0.00 H new ATOM 0 HG21 VAL A 83 2.151 -6.955 -3.998 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.640 -6.602 -5.666 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.423 -6.772 -4.378 1.00 0.00 H new ATOM 1312 N GLN A 84 -1.522 -8.264 -4.517 1.00 0.00 N ATOM 1313 CA GLN A 84 -2.713 -7.558 -4.060 1.00 0.00 C ATOM 1314 C GLN A 84 -2.599 -7.195 -2.584 1.00 0.00 C ATOM 1315 O GLN A 84 -2.544 -8.072 -1.721 1.00 0.00 O ATOM 1316 CB GLN A 84 -3.959 -8.415 -4.292 1.00 0.00 C ATOM 1317 CG GLN A 84 -5.263 -7.669 -4.056 1.00 0.00 C ATOM 1318 CD GLN A 84 -6.477 -8.463 -4.497 1.00 0.00 C ATOM 1319 OE1 GLN A 84 -6.352 -9.557 -5.047 1.00 0.00 O ATOM 1320 NE2 GLN A 84 -7.662 -7.914 -4.255 1.00 0.00 N ATOM 0 H GLN A 84 -1.100 -8.876 -3.819 1.00 0.00 H new ATOM 0 HA GLN A 84 -2.801 -6.636 -4.635 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -3.945 -8.792 -5.315 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -3.922 -9.282 -3.632 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -5.354 -7.431 -2.996 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -5.238 -6.722 -4.594 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -7.719 -7.005 -3.796 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -8.515 -8.402 -4.528 1.00 0.00 H new ATOM 1329 N VAL A 85 -2.564 -5.897 -2.299 1.00 0.00 N ATOM 1330 CA VAL A 85 -2.456 -5.419 -0.926 1.00 0.00 C ATOM 1331 C VAL A 85 -3.586 -4.451 -0.592 1.00 0.00 C ATOM 1332 O VAL A 85 -4.039 -3.692 -1.447 1.00 0.00 O ATOM 1333 CB VAL A 85 -1.106 -4.719 -0.679 1.00 0.00 C ATOM 1334 CG1 VAL A 85 0.047 -5.645 -1.033 1.00 0.00 C ATOM 1335 CG2 VAL A 85 -1.025 -3.424 -1.473 1.00 0.00 C ATOM 0 H VAL A 85 -2.609 -5.158 -3.001 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.526 -6.294 -0.280 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.031 -4.474 0.380 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.993 -5.134 -0.852 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.004 -6.542 -0.416 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.020 -5.924 -2.085 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.065 -2.942 -1.287 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.121 -3.643 -2.537 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.831 -2.758 -1.165 1.00 0.00 H new ATOM 1345 N GLU A 86 -4.036 -4.484 0.659 1.00 0.00 N ATOM 1346 CA GLU A 86 -5.113 -3.609 1.106 1.00 0.00 C ATOM 1347 C GLU A 86 -4.582 -2.522 2.036 1.00 0.00 C ATOM 1348 O GLU A 86 -3.735 -2.782 2.891 1.00 0.00 O ATOM 1349 CB GLU A 86 -6.196 -4.421 1.820 1.00 0.00 C ATOM 1350 CG GLU A 86 -7.172 -5.099 0.873 1.00 0.00 C ATOM 1351 CD GLU A 86 -6.483 -6.021 -0.114 1.00 0.00 C ATOM 1352 OE1 GLU A 86 -5.576 -6.769 0.308 1.00 0.00 O ATOM 1353 OE2 GLU A 86 -6.850 -5.995 -1.307 1.00 0.00 O ATOM 0 H GLU A 86 -3.671 -5.107 1.380 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.546 -3.131 0.227 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.719 -5.179 2.441 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.750 -3.763 2.489 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -7.897 -5.670 1.453 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.729 -4.338 0.326 1.00 0.00 H new ATOM 1360 N ILE A 87 -5.084 -1.305 1.860 1.00 0.00 N ATOM 1361 CA ILE A 87 -4.660 -0.179 2.683 1.00 0.00 C ATOM 1362 C ILE A 87 -5.784 0.282 3.605 1.00 0.00 C ATOM 1363 O ILE A 87 -6.955 0.277 3.225 1.00 0.00 O ATOM 1364 CB ILE A 87 -4.202 1.010 1.818 1.00 0.00 C ATOM 1365 CG1 ILE A 87 -2.829 0.724 1.206 1.00 0.00 C ATOM 1366 CG2 ILE A 87 -4.164 2.285 2.647 1.00 0.00 C ATOM 1367 CD1 ILE A 87 -2.322 1.836 0.314 1.00 0.00 C ATOM 0 H ILE A 87 -5.784 -1.073 1.156 1.00 0.00 H new ATOM 0 HA ILE A 87 -3.819 -0.526 3.283 1.00 0.00 H new ATOM 0 HB ILE A 87 -4.918 1.149 1.008 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.110 0.556 2.008 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -2.883 -0.199 0.628 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.838 3.116 2.021 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -5.159 2.494 3.039 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -3.467 2.160 3.475 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.344 1.565 -0.085 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -3.020 1.989 -0.509 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.236 2.756 0.893 1.00 0.00 H new ATOM 1379 N PHE A 88 -5.420 0.681 4.819 1.00 0.00 N ATOM 1380 CA PHE A 88 -6.397 1.146 5.797 1.00 0.00 C ATOM 1381 C PHE A 88 -5.712 1.887 6.941 1.00 0.00 C ATOM 1382 O PHE A 88 -4.501 1.776 7.129 1.00 0.00 O ATOM 1383 CB PHE A 88 -7.201 -0.034 6.347 1.00 0.00 C ATOM 1384 CG PHE A 88 -6.448 -0.853 7.356 1.00 0.00 C ATOM 1385 CD1 PHE A 88 -6.205 -0.358 8.627 1.00 0.00 C ATOM 1386 CD2 PHE A 88 -5.984 -2.118 7.033 1.00 0.00 C ATOM 1387 CE1 PHE A 88 -5.512 -1.110 9.557 1.00 0.00 C ATOM 1388 CE2 PHE A 88 -5.291 -2.875 7.959 1.00 0.00 C ATOM 1389 CZ PHE A 88 -5.055 -2.370 9.223 1.00 0.00 C ATOM 0 H PHE A 88 -4.455 0.692 5.149 1.00 0.00 H new ATOM 0 HA PHE A 88 -7.075 1.836 5.296 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -8.116 0.342 6.805 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -7.500 -0.677 5.519 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -6.561 0.626 8.894 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.166 -2.517 6.046 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -5.328 -0.713 10.544 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -4.935 -3.860 7.695 1.00 0.00 H new ATOM 0 HZ PHE A 88 -4.514 -2.959 9.949 1.00 0.00 H new ATOM 1399 N SER A 89 -6.497 2.644 7.702 1.00 0.00 N ATOM 1400 CA SER A 89 -5.966 3.407 8.825 1.00 0.00 C ATOM 1401 C SER A 89 -6.527 2.891 10.147 1.00 0.00 C ATOM 1402 O SER A 89 -7.693 2.504 10.231 1.00 0.00 O ATOM 1403 CB SER A 89 -6.298 4.892 8.663 1.00 0.00 C ATOM 1404 OG SER A 89 -5.772 5.653 9.736 1.00 0.00 O ATOM 0 H SER A 89 -7.502 2.745 7.561 1.00 0.00 H new ATOM 0 HA SER A 89 -4.883 3.283 8.836 1.00 0.00 H new ATOM 0 HB2 SER A 89 -5.891 5.258 7.720 1.00 0.00 H new ATOM 0 HB3 SER A 89 -7.379 5.023 8.616 1.00 0.00 H new ATOM 0 HG SER A 89 -6.181 6.544 9.736 1.00 0.00 H new ATOM 1410 N THR A 90 -5.687 2.887 11.178 1.00 0.00 N ATOM 1411 CA THR A 90 -6.097 2.417 12.495 1.00 0.00 C ATOM 1412 C THR A 90 -7.014 3.425 13.178 1.00 0.00 C ATOM 1413 O THR A 90 -7.960 3.050 13.868 1.00 0.00 O ATOM 1414 CB THR A 90 -4.880 2.152 13.400 1.00 0.00 C ATOM 1415 OG1 THR A 90 -4.052 3.319 13.463 1.00 0.00 O ATOM 1416 CG2 THR A 90 -4.067 0.974 12.883 1.00 0.00 C ATOM 0 H THR A 90 -4.719 3.204 11.126 1.00 0.00 H new ATOM 0 HA THR A 90 -6.638 1.483 12.343 1.00 0.00 H new ATOM 0 HB THR A 90 -5.244 1.911 14.399 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.503 3.375 12.653 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.213 0.806 13.539 1.00 0.00 H new ATOM 0 HG22 THR A 90 -4.692 0.081 12.865 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.714 1.190 11.875 1.00 0.00 H new ATOM 1424 N ASN A 91 -6.727 4.708 12.979 1.00 0.00 N ATOM 1425 CA ASN A 91 -7.527 5.771 13.576 1.00 0.00 C ATOM 1426 C ASN A 91 -8.307 6.531 12.508 1.00 0.00 C ATOM 1427 O ASN A 91 -7.910 7.609 12.063 1.00 0.00 O ATOM 1428 CB ASN A 91 -6.630 6.737 14.353 1.00 0.00 C ATOM 1429 CG ASN A 91 -6.450 6.322 15.801 1.00 0.00 C ATOM 1430 OD1 ASN A 91 -5.779 5.332 16.095 1.00 0.00 O ATOM 1431 ND2 ASN A 91 -7.050 7.078 16.712 1.00 0.00 N ATOM 0 H ASN A 91 -5.947 5.036 12.409 1.00 0.00 H new ATOM 0 HA ASN A 91 -8.239 5.314 14.263 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -5.655 6.791 13.870 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -7.060 7.738 14.316 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -6.965 6.848 17.702 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -7.596 7.889 16.422 1.00 0.00 H new ATOM 1438 N PRO A 92 -9.443 5.958 12.085 1.00 0.00 N ATOM 1439 CA PRO A 92 -10.303 6.565 11.064 1.00 0.00 C ATOM 1440 C PRO A 92 -11.008 7.818 11.570 1.00 0.00 C ATOM 1441 O PRO A 92 -11.195 8.781 10.826 1.00 0.00 O ATOM 1442 CB PRO A 92 -11.323 5.464 10.760 1.00 0.00 C ATOM 1443 CG PRO A 92 -11.366 4.635 11.997 1.00 0.00 C ATOM 1444 CD PRO A 92 -9.977 4.675 12.571 1.00 0.00 C ATOM 0 HA PRO A 92 -9.734 6.891 10.193 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -12.302 5.884 10.531 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -11.020 4.871 9.897 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -12.093 5.030 12.707 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -11.665 3.612 11.771 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -9.991 4.632 13.660 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.376 3.833 12.227 1.00 0.00 H new ATOM 1452 N ASP A 93 -11.398 7.800 12.840 1.00 0.00 N ATOM 1453 CA ASP A 93 -12.081 8.937 13.447 1.00 0.00 C ATOM 1454 C ASP A 93 -11.188 10.173 13.443 1.00 0.00 C ATOM 1455 O ASP A 93 -11.655 11.290 13.213 1.00 0.00 O ATOM 1456 CB ASP A 93 -12.503 8.601 14.878 1.00 0.00 C ATOM 1457 CG ASP A 93 -13.162 7.241 14.984 1.00 0.00 C ATOM 1458 OD1 ASP A 93 -14.387 7.155 14.754 1.00 0.00 O ATOM 1459 OD2 ASP A 93 -12.454 6.261 15.295 1.00 0.00 O ATOM 0 H ASP A 93 -11.253 7.010 13.469 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.971 9.153 12.856 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.628 8.629 15.527 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -13.192 9.364 15.239 1.00 0.00 H new ATOM 1464 N LEU A 94 -9.901 9.968 13.699 1.00 0.00 N ATOM 1465 CA LEU A 94 -8.941 11.066 13.727 1.00 0.00 C ATOM 1466 C LEU A 94 -8.385 11.338 12.333 1.00 0.00 C ATOM 1467 O LEU A 94 -8.400 12.473 11.857 1.00 0.00 O ATOM 1468 CB LEU A 94 -7.798 10.747 14.691 1.00 0.00 C ATOM 1469 CG LEU A 94 -8.023 11.139 16.152 1.00 0.00 C ATOM 1470 CD1 LEU A 94 -6.896 10.610 17.026 1.00 0.00 C ATOM 1471 CD2 LEU A 94 -8.141 12.650 16.286 1.00 0.00 C ATOM 0 H LEU A 94 -9.498 9.051 13.890 1.00 0.00 H new ATOM 0 HA LEU A 94 -9.460 11.960 14.073 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.602 9.676 14.649 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.898 11.249 14.335 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.957 10.691 16.489 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.073 10.899 18.062 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.859 9.523 16.953 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.948 11.029 16.690 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.301 12.911 17.332 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.224 13.120 15.931 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.983 13.003 15.691 1.00 0.00 H new ATOM 1483 N TYR A 95 -7.896 10.288 11.682 1.00 0.00 N ATOM 1484 CA TYR A 95 -7.334 10.413 10.342 1.00 0.00 C ATOM 1485 C TYR A 95 -8.007 9.442 9.377 1.00 0.00 C ATOM 1486 O TYR A 95 -7.487 8.367 9.074 1.00 0.00 O ATOM 1487 CB TYR A 95 -5.826 10.157 10.372 1.00 0.00 C ATOM 1488 CG TYR A 95 -5.082 11.038 11.351 1.00 0.00 C ATOM 1489 CD1 TYR A 95 -4.891 10.640 12.668 1.00 0.00 C ATOM 1490 CD2 TYR A 95 -4.570 12.268 10.957 1.00 0.00 C ATOM 1491 CE1 TYR A 95 -4.213 11.442 13.565 1.00 0.00 C ATOM 1492 CE2 TYR A 95 -3.889 13.076 11.847 1.00 0.00 C ATOM 1493 CZ TYR A 95 -3.713 12.659 13.150 1.00 0.00 C ATOM 1494 OH TYR A 95 -3.036 13.460 14.040 1.00 0.00 O ATOM 0 H TYR A 95 -7.877 9.341 12.060 1.00 0.00 H new ATOM 0 HA TYR A 95 -7.516 11.429 9.993 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.648 9.113 10.628 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -5.419 10.314 9.373 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.279 9.687 12.996 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.707 12.598 9.938 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -4.075 11.118 14.586 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.497 14.029 11.524 1.00 0.00 H new ATOM 0 HH TYR A 95 -2.749 14.281 13.588 1.00 0.00 H new ATOM 1504 N PRO A 96 -9.191 9.828 8.880 1.00 0.00 N ATOM 1505 CA PRO A 96 -9.961 9.007 7.941 1.00 0.00 C ATOM 1506 C PRO A 96 -9.302 8.925 6.568 1.00 0.00 C ATOM 1507 O PRO A 96 -8.856 9.934 6.021 1.00 0.00 O ATOM 1508 CB PRO A 96 -11.302 9.739 7.847 1.00 0.00 C ATOM 1509 CG PRO A 96 -10.987 11.154 8.192 1.00 0.00 C ATOM 1510 CD PRO A 96 -9.870 11.096 9.197 1.00 0.00 C ATOM 0 HA PRO A 96 -10.046 7.974 8.278 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -11.726 9.661 6.846 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -12.033 9.317 8.537 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -10.687 11.714 7.306 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -11.860 11.658 8.607 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -9.197 11.948 9.099 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -10.248 11.105 10.219 1.00 0.00 H new ATOM 1518 N VAL A 97 -9.245 7.717 6.015 1.00 0.00 N ATOM 1519 CA VAL A 97 -8.642 7.504 4.705 1.00 0.00 C ATOM 1520 C VAL A 97 -9.556 8.004 3.592 1.00 0.00 C ATOM 1521 O VAL A 97 -10.674 7.515 3.426 1.00 0.00 O ATOM 1522 CB VAL A 97 -8.329 6.015 4.468 1.00 0.00 C ATOM 1523 CG1 VAL A 97 -7.595 5.827 3.148 1.00 0.00 C ATOM 1524 CG2 VAL A 97 -7.516 5.451 5.623 1.00 0.00 C ATOM 0 H VAL A 97 -9.609 6.871 6.454 1.00 0.00 H new ATOM 0 HA VAL A 97 -7.711 8.071 4.688 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.270 5.468 4.415 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.382 4.769 2.998 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.217 6.192 2.331 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.659 6.386 3.169 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -7.304 4.398 5.439 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.578 6.000 5.710 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -8.082 5.550 6.549 1.00 0.00 H new ATOM 1534 N ARG A 98 -9.072 8.980 2.830 1.00 0.00 N ATOM 1535 CA ARG A 98 -9.846 9.547 1.732 1.00 0.00 C ATOM 1536 C ARG A 98 -9.469 8.891 0.407 1.00 0.00 C ATOM 1537 O ARG A 98 -8.585 8.036 0.355 1.00 0.00 O ATOM 1538 CB ARG A 98 -9.621 11.057 1.649 1.00 0.00 C ATOM 1539 CG ARG A 98 -8.178 11.444 1.370 1.00 0.00 C ATOM 1540 CD ARG A 98 -8.041 12.937 1.116 1.00 0.00 C ATOM 1541 NE ARG A 98 -7.823 13.685 2.351 1.00 0.00 N ATOM 1542 CZ ARG A 98 -8.807 14.096 3.144 1.00 0.00 C ATOM 1543 NH1 ARG A 98 -10.068 13.833 2.832 1.00 0.00 N ATOM 1544 NH2 ARG A 98 -8.529 14.772 4.252 1.00 0.00 N ATOM 0 H ARG A 98 -8.148 9.394 2.953 1.00 0.00 H new ATOM 0 HA ARG A 98 -10.901 9.354 1.926 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -10.256 11.468 0.864 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -9.936 11.515 2.587 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -7.553 11.159 2.217 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -7.813 10.891 0.504 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.210 13.114 0.434 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -8.941 13.305 0.624 1.00 0.00 H new ATOM 0 HE ARG A 98 -6.864 13.904 2.620 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -10.285 13.314 1.981 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -10.821 14.150 3.443 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -7.560 14.976 4.495 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -9.285 15.087 4.860 1.00 0.00 H new ATOM 1558 N ARG A 99 -10.145 9.298 -0.662 1.00 0.00 N ATOM 1559 CA ARG A 99 -9.883 8.750 -1.987 1.00 0.00 C ATOM 1560 C ARG A 99 -8.898 9.628 -2.754 1.00 0.00 C ATOM 1561 O ARG A 99 -8.539 10.716 -2.301 1.00 0.00 O ATOM 1562 CB ARG A 99 -11.187 8.619 -2.776 1.00 0.00 C ATOM 1563 CG ARG A 99 -11.738 9.948 -3.267 1.00 0.00 C ATOM 1564 CD ARG A 99 -12.653 10.587 -2.234 1.00 0.00 C ATOM 1565 NE ARG A 99 -13.604 11.513 -2.843 1.00 0.00 N ATOM 1566 CZ ARG A 99 -14.591 12.099 -2.174 1.00 0.00 C ATOM 1567 NH1 ARG A 99 -14.756 11.855 -0.881 1.00 0.00 N ATOM 1568 NH2 ARG A 99 -15.415 12.930 -2.799 1.00 0.00 N ATOM 0 H ARG A 99 -10.879 10.006 -0.636 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.441 7.761 -1.862 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -11.019 7.966 -3.633 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -11.935 8.135 -2.148 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.913 10.624 -3.492 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -12.287 9.795 -4.196 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -13.197 9.808 -1.700 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -12.052 11.118 -1.496 1.00 0.00 H new ATOM 0 HE ARG A 99 -13.505 11.721 -3.837 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -14.124 11.216 -0.398 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -15.515 12.306 -0.370 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -15.291 13.119 -3.794 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -16.173 13.380 -2.285 1.00 0.00 H new ATOM 1582 N ILE A 100 -8.466 9.149 -3.915 1.00 0.00 N ATOM 1583 CA ILE A 100 -7.524 9.891 -4.744 1.00 0.00 C ATOM 1584 C ILE A 100 -7.860 9.744 -6.224 1.00 0.00 C ATOM 1585 O ILE A 100 -8.258 8.670 -6.677 1.00 0.00 O ATOM 1586 CB ILE A 100 -6.076 9.421 -4.509 1.00 0.00 C ATOM 1587 CG1 ILE A 100 -5.678 9.636 -3.047 1.00 0.00 C ATOM 1588 CG2 ILE A 100 -5.123 10.158 -5.437 1.00 0.00 C ATOM 1589 CD1 ILE A 100 -4.331 9.045 -2.695 1.00 0.00 C ATOM 0 H ILE A 100 -8.753 8.251 -4.303 1.00 0.00 H new ATOM 0 HA ILE A 100 -7.609 10.939 -4.457 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.015 8.355 -4.730 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.663 10.705 -2.836 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.439 9.195 -2.403 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -4.104 9.815 -5.259 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.397 9.959 -6.473 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.184 11.229 -5.245 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -4.114 9.235 -1.644 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.348 7.970 -2.874 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.560 9.504 -3.314 1.00 0.00 H new ATOM 1601 N ASP A 101 -7.696 10.829 -6.973 1.00 0.00 N ATOM 1602 CA ASP A 101 -7.979 10.821 -8.403 1.00 0.00 C ATOM 1603 C ASP A 101 -7.036 9.873 -9.139 1.00 0.00 C ATOM 1604 O ASP A 101 -6.156 9.263 -8.533 1.00 0.00 O ATOM 1605 CB ASP A 101 -7.853 12.233 -8.978 1.00 0.00 C ATOM 1606 CG ASP A 101 -6.436 12.766 -8.899 1.00 0.00 C ATOM 1607 OD1 ASP A 101 -5.563 12.239 -9.621 1.00 0.00 O ATOM 1608 OD2 ASP A 101 -6.201 13.710 -8.118 1.00 0.00 O ATOM 0 H ASP A 101 -7.368 11.725 -6.613 1.00 0.00 H new ATOM 0 HA ASP A 101 -9.001 10.470 -8.543 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -8.179 12.229 -10.018 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -8.521 12.903 -8.437 1.00 0.00 H new ATOM 1613 N GLY A 102 -7.227 9.755 -10.449 1.00 0.00 N ATOM 1614 CA GLY A 102 -6.386 8.880 -11.245 1.00 0.00 C ATOM 1615 C GLY A 102 -7.163 8.158 -12.328 1.00 0.00 C ATOM 1616 O GLY A 102 -8.392 8.228 -12.373 1.00 0.00 O ATOM 0 H GLY A 102 -7.949 10.249 -10.973 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.589 9.465 -11.703 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -5.910 8.147 -10.594 1.00 0.00 H new ATOM 1620 N LEU A 103 -6.447 7.463 -13.205 1.00 0.00 N ATOM 1621 CA LEU A 103 -7.077 6.726 -14.295 1.00 0.00 C ATOM 1622 C LEU A 103 -7.284 5.264 -13.916 1.00 0.00 C ATOM 1623 O LEU A 103 -6.337 4.477 -13.887 1.00 0.00 O ATOM 1624 CB LEU A 103 -6.222 6.820 -15.561 1.00 0.00 C ATOM 1625 CG LEU A 103 -4.728 6.547 -15.384 1.00 0.00 C ATOM 1626 CD1 LEU A 103 -4.136 5.972 -16.661 1.00 0.00 C ATOM 1627 CD2 LEU A 103 -3.997 7.819 -14.981 1.00 0.00 C ATOM 0 H LEU A 103 -5.430 7.394 -13.183 1.00 0.00 H new ATOM 0 HA LEU A 103 -8.052 7.174 -14.487 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -6.615 6.116 -16.294 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -6.341 7.818 -15.982 1.00 0.00 H new ATOM 0 HG LEU A 103 -4.604 5.813 -14.588 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.072 5.784 -16.516 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.640 5.037 -16.907 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.271 6.682 -17.477 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.935 7.605 -14.860 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.129 8.575 -15.755 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -4.403 8.189 -14.039 1.00 0.00 H new ATOM 1639 N THR A 104 -8.531 4.904 -13.626 1.00 0.00 N ATOM 1640 CA THR A 104 -8.864 3.536 -13.249 1.00 0.00 C ATOM 1641 C THR A 104 -9.913 2.948 -14.185 1.00 0.00 C ATOM 1642 O THR A 104 -10.525 3.665 -14.976 1.00 0.00 O ATOM 1643 CB THR A 104 -9.385 3.464 -11.801 1.00 0.00 C ATOM 1644 OG1 THR A 104 -10.539 4.299 -11.654 1.00 0.00 O ATOM 1645 CG2 THR A 104 -8.310 3.896 -10.816 1.00 0.00 C ATOM 0 H THR A 104 -9.327 5.542 -13.645 1.00 0.00 H new ATOM 0 HA THR A 104 -7.946 2.954 -13.326 1.00 0.00 H new ATOM 0 HB THR A 104 -9.656 2.430 -11.587 1.00 0.00 H new ATOM 0 HG1 THR A 104 -10.865 4.247 -10.731 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.702 3.837 -9.801 1.00 0.00 H new ATOM 0 HG22 THR A 104 -7.445 3.239 -10.910 1.00 0.00 H new ATOM 0 HG23 THR A 104 -8.011 4.922 -11.030 1.00 0.00 H new ATOM 1653 N ASP A 105 -10.116 1.638 -14.090 1.00 0.00 N ATOM 1654 CA ASP A 105 -11.093 0.953 -14.928 1.00 0.00 C ATOM 1655 C ASP A 105 -10.740 1.099 -16.404 1.00 0.00 C ATOM 1656 O ASP A 105 -11.618 1.277 -17.249 1.00 0.00 O ATOM 1657 CB ASP A 105 -12.496 1.507 -14.669 1.00 0.00 C ATOM 1658 CG ASP A 105 -13.065 1.043 -13.343 1.00 0.00 C ATOM 1659 OD1 ASP A 105 -12.551 1.479 -12.292 1.00 0.00 O ATOM 1660 OD2 ASP A 105 -14.024 0.243 -13.355 1.00 0.00 O ATOM 0 H ASP A 105 -9.617 1.030 -13.441 1.00 0.00 H new ATOM 0 HA ASP A 105 -11.076 -0.106 -14.672 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.462 2.596 -14.685 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -13.161 1.196 -15.475 1.00 0.00 H new ATOM 1665 N VAL A 106 -9.448 1.024 -16.709 1.00 0.00 N ATOM 1666 CA VAL A 106 -8.978 1.147 -18.084 1.00 0.00 C ATOM 1667 C VAL A 106 -9.557 0.045 -18.963 1.00 0.00 C ATOM 1668 O VAL A 106 -9.329 -1.141 -18.722 1.00 0.00 O ATOM 1669 CB VAL A 106 -7.441 1.094 -18.158 1.00 0.00 C ATOM 1670 CG1 VAL A 106 -6.972 1.190 -19.602 1.00 0.00 C ATOM 1671 CG2 VAL A 106 -6.828 2.202 -17.315 1.00 0.00 C ATOM 0 H VAL A 106 -8.708 0.879 -16.022 1.00 0.00 H new ATOM 0 HA VAL A 106 -9.319 2.116 -18.450 1.00 0.00 H new ATOM 0 HB VAL A 106 -7.108 0.137 -17.756 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -5.883 1.151 -19.634 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -7.382 0.358 -20.174 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -7.314 2.130 -20.034 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -5.741 2.149 -17.379 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -7.167 3.170 -17.684 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -7.136 2.082 -16.276 1.00 0.00 H new ATOM 1681 N SER A 107 -10.308 0.443 -19.985 1.00 0.00 N ATOM 1682 CA SER A 107 -10.923 -0.511 -20.900 1.00 0.00 C ATOM 1683 C SER A 107 -10.657 -0.122 -22.351 1.00 0.00 C ATOM 1684 O SER A 107 -10.581 1.061 -22.683 1.00 0.00 O ATOM 1685 CB SER A 107 -12.431 -0.590 -20.650 1.00 0.00 C ATOM 1686 OG SER A 107 -13.045 0.674 -20.833 1.00 0.00 O ATOM 0 H SER A 107 -10.505 1.420 -20.200 1.00 0.00 H new ATOM 0 HA SER A 107 -10.479 -1.490 -20.717 1.00 0.00 H new ATOM 0 HB2 SER A 107 -12.878 -1.317 -21.329 1.00 0.00 H new ATOM 0 HB3 SER A 107 -12.617 -0.945 -19.636 1.00 0.00 H new ATOM 0 HG SER A 107 -14.008 0.597 -20.669 1.00 0.00 H new ATOM 1692 N GLN A 108 -10.515 -1.126 -23.210 1.00 0.00 N ATOM 1693 CA GLN A 108 -10.256 -0.890 -24.625 1.00 0.00 C ATOM 1694 C GLN A 108 -11.487 -1.215 -25.466 1.00 0.00 C ATOM 1695 O GLN A 108 -11.379 -1.816 -26.535 1.00 0.00 O ATOM 1696 CB GLN A 108 -9.067 -1.729 -25.095 1.00 0.00 C ATOM 1697 CG GLN A 108 -7.736 -1.276 -24.517 1.00 0.00 C ATOM 1698 CD GLN A 108 -6.596 -2.207 -24.879 1.00 0.00 C ATOM 1699 OE1 GLN A 108 -5.700 -1.842 -25.641 1.00 0.00 O ATOM 1700 NE2 GLN A 108 -6.623 -3.417 -24.333 1.00 0.00 N ATOM 0 H GLN A 108 -10.575 -2.111 -22.951 1.00 0.00 H new ATOM 0 HA GLN A 108 -10.019 0.166 -24.753 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -9.237 -2.770 -24.821 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -9.013 -1.690 -26.183 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -7.510 -0.273 -24.879 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -7.818 -1.213 -23.432 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -7.385 -3.677 -23.707 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -5.882 -4.086 -24.540 1.00 0.00 H new ATOM 1709 N ILE A 109 -12.655 -0.814 -24.975 1.00 0.00 N ATOM 1710 CA ILE A 109 -13.905 -1.062 -25.681 1.00 0.00 C ATOM 1711 C ILE A 109 -14.070 -0.107 -26.859 1.00 0.00 C ATOM 1712 O ILE A 109 -14.619 -0.475 -27.898 1.00 0.00 O ATOM 1713 CB ILE A 109 -15.120 -0.918 -24.745 1.00 0.00 C ATOM 1714 CG1 ILE A 109 -16.418 -1.167 -25.515 1.00 0.00 C ATOM 1715 CG2 ILE A 109 -15.133 0.461 -24.103 1.00 0.00 C ATOM 1716 CD1 ILE A 109 -17.529 -1.734 -24.660 1.00 0.00 C ATOM 0 H ILE A 109 -12.761 -0.316 -24.091 1.00 0.00 H new ATOM 0 HA ILE A 109 -13.860 -2.087 -26.050 1.00 0.00 H new ATOM 0 HB ILE A 109 -15.041 -1.664 -23.954 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -16.754 -0.229 -25.958 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -16.217 -1.854 -26.337 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -15.997 0.548 -23.444 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -14.220 0.601 -23.524 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -15.191 1.223 -24.880 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -18.418 -1.885 -25.272 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -17.213 -2.688 -24.238 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -17.758 -1.038 -23.853 1.00 0.00 H new ATOM 1728 N ILE A 110 -13.591 1.121 -26.689 1.00 0.00 N ATOM 1729 CA ILE A 110 -13.683 2.128 -27.739 1.00 0.00 C ATOM 1730 C ILE A 110 -13.165 1.586 -29.067 1.00 0.00 C ATOM 1731 O ILE A 110 -12.374 0.643 -29.101 1.00 0.00 O ATOM 1732 CB ILE A 110 -12.892 3.397 -27.372 1.00 0.00 C ATOM 1733 CG1 ILE A 110 -13.274 4.550 -28.303 1.00 0.00 C ATOM 1734 CG2 ILE A 110 -11.396 3.128 -27.441 1.00 0.00 C ATOM 1735 CD1 ILE A 110 -12.933 5.915 -27.747 1.00 0.00 C ATOM 0 H ILE A 110 -13.136 1.442 -25.835 1.00 0.00 H new ATOM 0 HA ILE A 110 -14.738 2.384 -27.840 1.00 0.00 H new ATOM 0 HB ILE A 110 -13.144 3.681 -26.350 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -12.766 4.419 -29.258 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -14.345 4.505 -28.503 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -10.851 4.035 -27.179 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -11.137 2.334 -26.741 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -11.127 2.823 -28.452 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -13.232 6.683 -28.460 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -13.462 6.067 -26.806 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -11.859 5.979 -27.573 1.00 0.00 H new ATOM 1747 N THR A 111 -13.615 2.191 -30.163 1.00 0.00 N ATOM 1748 CA THR A 111 -13.198 1.770 -31.494 1.00 0.00 C ATOM 1749 C THR A 111 -11.690 1.555 -31.555 1.00 0.00 C ATOM 1750 O THR A 111 -10.921 2.508 -31.682 1.00 0.00 O ATOM 1751 CB THR A 111 -13.601 2.804 -32.562 1.00 0.00 C ATOM 1752 OG1 THR A 111 -15.018 3.009 -32.535 1.00 0.00 O ATOM 1753 CG2 THR A 111 -13.177 2.344 -33.948 1.00 0.00 C ATOM 0 H THR A 111 -14.268 2.974 -30.154 1.00 0.00 H new ATOM 0 HA THR A 111 -13.706 0.828 -31.701 1.00 0.00 H new ATOM 0 HB THR A 111 -13.094 3.742 -32.337 1.00 0.00 H new ATOM 0 HG1 THR A 111 -15.266 3.669 -33.216 1.00 0.00 H new ATOM 0 HG21 THR A 111 -13.472 3.090 -34.685 1.00 0.00 H new ATOM 0 HG22 THR A 111 -12.095 2.217 -33.974 1.00 0.00 H new ATOM 0 HG23 THR A 111 -13.660 1.394 -34.180 1.00 0.00 H new ATOM 1761 N VAL A 112 -11.272 0.296 -31.465 1.00 0.00 N ATOM 1762 CA VAL A 112 -9.855 -0.045 -31.513 1.00 0.00 C ATOM 1763 C VAL A 112 -9.609 -1.248 -32.416 1.00 0.00 C ATOM 1764 O VAL A 112 -10.420 -2.172 -32.471 1.00 0.00 O ATOM 1765 CB VAL A 112 -9.305 -0.351 -30.107 1.00 0.00 C ATOM 1766 CG1 VAL A 112 -7.921 -0.976 -30.200 1.00 0.00 C ATOM 1767 CG2 VAL A 112 -9.272 0.913 -29.261 1.00 0.00 C ATOM 0 H VAL A 112 -11.895 -0.505 -31.358 1.00 0.00 H new ATOM 0 HA VAL A 112 -9.334 0.822 -31.919 1.00 0.00 H new ATOM 0 HB VAL A 112 -9.970 -1.067 -29.624 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -7.548 -1.185 -29.197 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -7.979 -1.905 -30.767 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -7.243 -0.286 -30.702 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -8.881 0.678 -28.271 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -8.630 1.654 -29.738 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -10.281 1.314 -29.167 1.00 0.00 H new ATOM 1777 N SER A 113 -8.484 -1.229 -33.123 1.00 0.00 N ATOM 1778 CA SER A 113 -8.132 -2.317 -34.028 1.00 0.00 C ATOM 1779 C SER A 113 -8.594 -3.659 -33.469 1.00 0.00 C ATOM 1780 O SER A 113 -8.258 -4.024 -32.343 1.00 0.00 O ATOM 1781 CB SER A 113 -6.620 -2.343 -34.264 1.00 0.00 C ATOM 1782 OG SER A 113 -6.286 -3.209 -35.335 1.00 0.00 O ATOM 0 H SER A 113 -7.801 -0.473 -33.087 1.00 0.00 H new ATOM 0 HA SER A 113 -8.638 -2.145 -34.978 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.265 -1.336 -34.483 1.00 0.00 H new ATOM 0 HB3 SER A 113 -6.113 -2.670 -33.356 1.00 0.00 H new ATOM 0 HG SER A 113 -5.315 -3.207 -35.467 1.00 0.00 H new ATOM 1788 N GLY A 114 -9.367 -4.391 -34.266 1.00 0.00 N ATOM 1789 CA GLY A 114 -9.863 -5.684 -33.835 1.00 0.00 C ATOM 1790 C GLY A 114 -9.099 -6.836 -34.458 1.00 0.00 C ATOM 1791 O GLY A 114 -8.288 -6.651 -35.366 1.00 0.00 O ATOM 0 H GLY A 114 -9.658 -4.111 -35.203 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -9.795 -5.752 -32.749 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -10.918 -5.770 -34.094 1.00 0.00 H new ATOM 1795 N PRO A 115 -9.355 -8.056 -33.964 1.00 0.00 N ATOM 1796 CA PRO A 115 -8.694 -9.266 -34.463 1.00 0.00 C ATOM 1797 C PRO A 115 -9.145 -9.634 -35.872 1.00 0.00 C ATOM 1798 O PRO A 115 -9.798 -8.842 -36.552 1.00 0.00 O ATOM 1799 CB PRO A 115 -9.126 -10.343 -33.465 1.00 0.00 C ATOM 1800 CG PRO A 115 -10.417 -9.849 -32.909 1.00 0.00 C ATOM 1801 CD PRO A 115 -10.309 -8.350 -32.882 1.00 0.00 C ATOM 0 HA PRO A 115 -7.614 -9.140 -34.535 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -9.250 -11.309 -33.954 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -8.382 -10.476 -32.680 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -11.256 -10.169 -33.527 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -10.589 -10.246 -31.908 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -11.274 -7.875 -33.057 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -9.947 -7.991 -31.919 1.00 0.00 H new ATOM 1809 N SER A 116 -8.793 -10.841 -36.305 1.00 0.00 N ATOM 1810 CA SER A 116 -9.159 -11.312 -37.635 1.00 0.00 C ATOM 1811 C SER A 116 -8.791 -12.782 -37.811 1.00 0.00 C ATOM 1812 O SER A 116 -7.918 -13.302 -37.116 1.00 0.00 O ATOM 1813 CB SER A 116 -8.465 -10.470 -38.707 1.00 0.00 C ATOM 1814 OG SER A 116 -7.062 -10.672 -38.686 1.00 0.00 O ATOM 0 H SER A 116 -8.255 -11.510 -35.754 1.00 0.00 H new ATOM 0 HA SER A 116 -10.239 -11.209 -37.745 1.00 0.00 H new ATOM 0 HB2 SER A 116 -8.858 -10.731 -39.690 1.00 0.00 H new ATOM 0 HB3 SER A 116 -8.686 -9.415 -38.545 1.00 0.00 H new ATOM 0 HG SER A 116 -6.642 -10.124 -39.382 1.00 0.00 H new ATOM 1820 N SER A 117 -9.464 -13.447 -38.745 1.00 0.00 N ATOM 1821 CA SER A 117 -9.212 -14.858 -39.010 1.00 0.00 C ATOM 1822 C SER A 117 -9.940 -15.312 -40.272 1.00 0.00 C ATOM 1823 O SER A 117 -11.053 -14.869 -40.554 1.00 0.00 O ATOM 1824 CB SER A 117 -9.653 -15.710 -37.819 1.00 0.00 C ATOM 1825 OG SER A 117 -11.000 -15.439 -37.469 1.00 0.00 O ATOM 0 H SER A 117 -10.188 -13.031 -39.331 1.00 0.00 H new ATOM 0 HA SER A 117 -8.141 -14.988 -39.163 1.00 0.00 H new ATOM 0 HB2 SER A 117 -9.543 -16.767 -38.063 1.00 0.00 H new ATOM 0 HB3 SER A 117 -9.005 -15.511 -36.965 1.00 0.00 H new ATOM 0 HG SER A 117 -11.258 -15.997 -36.706 1.00 0.00 H new ATOM 1831 N GLY A 118 -9.302 -16.200 -41.029 1.00 0.00 N ATOM 1832 CA GLY A 118 -9.903 -16.700 -42.252 1.00 0.00 C ATOM 1833 C GLY A 118 -8.870 -17.038 -43.309 1.00 0.00 C ATOM 1834 O GLY A 118 -9.215 -17.303 -44.460 1.00 0.00 O ATOM 0 H GLY A 118 -8.380 -16.582 -40.817 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -10.492 -17.589 -42.027 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -10.591 -15.953 -42.647 1.00 0.00 H new TER 1838 GLY A 118