USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 874 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 54 SER OG : rot -131:sc= 1.21 USER MOD Set 1.2: A 61 CYS SG : rot -107:sc= -0.0965 USER MOD Set 1.3: A 63 HIS : no HD1:sc= 1.09 K(o=2.2,f=-2.4) USER MOD Set 2.1: A 45 SER OG : rot -115:sc= 0.179 USER MOD Set 2.2: A 48 HIS : no HD1:sc= -0.412 X(o=-0.23,f=0.0083) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -10:sc= 0.221 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 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 HIS : no HE2:sc= -5.33 K(o=-5.3,f=-7.8!) USER MOD Single : A 24 SER OG : rot 170:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.0992 K(o=-0.099,f=-1.5!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.0353 X(o=-0.035,f=-0.057) USER MOD Single : A 39 SER OG : rot 92:sc= 0.145 USER MOD Single : A 46 HIS : no HD1:sc= -0.117 X(o=-0.12,f=-0.0081) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc=-0.00747 USER MOD Single : A 55 TYR OH : rot 91:sc= -0.476 USER MOD Single : A 56 LYS NZ :NH3+ -158:sc=-0.00188 (180deg=-0.611) USER MOD Single : A 58 GLN : amide:sc= -0.0102 X(o=-0.01,f=-0.02) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 58:sc= 1.29 USER MOD Single : A 62 CYS SG : rot 23:sc= -0.127 USER MOD Single : A 65 MET CE :methyl -125:sc= -0.126 (180deg=-3.4!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.831 USER MOD Single : A 75 MET CE :methyl -168:sc= -1.02 (180deg=-1.25) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HD1:sc= -6.29! C(o=-6.3!,f=-6!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 13:sc= 0.48 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HE2:sc= -4.02! K(o=-4!,f=-4.8) USER MOD Single : A 94 GLN : amide:sc= -0.441 K(o=-0.44,f=-1.9) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= -1.18! USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 CYS SG : rot -100:sc= -1.53 USER MOD Single : A 111 GLN : amide:sc= -1.33 K(o=-1.3,f=-4!) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.969 24.780 -30.386 1.00 0.00 N ATOM 2 CA GLY A 1 7.433 23.774 -31.285 1.00 0.00 C ATOM 3 C GLY A 1 6.479 22.824 -30.590 1.00 0.00 C ATOM 4 O GLY A 1 5.321 22.695 -30.987 1.00 0.00 O ATOM 0 H1 GLY A 1 8.615 25.404 -30.909 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.189 25.343 -29.990 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.487 24.315 -29.614 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.915 24.266 -32.108 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.255 23.205 -31.720 1.00 0.00 H new ATOM 8 N SER A 2 6.967 22.154 -29.550 1.00 0.00 N ATOM 9 CA SER A 2 6.151 21.206 -28.801 1.00 0.00 C ATOM 10 C SER A 2 5.232 20.424 -29.735 1.00 0.00 C ATOM 11 O SER A 2 4.060 20.203 -29.430 1.00 0.00 O ATOM 12 CB SER A 2 5.321 21.937 -27.745 1.00 0.00 C ATOM 13 OG SER A 2 4.279 22.688 -28.346 1.00 0.00 O ATOM 0 H SER A 2 7.923 22.250 -29.208 1.00 0.00 H new ATOM 0 HA SER A 2 6.819 20.503 -28.304 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.897 21.215 -27.047 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.965 22.600 -27.167 1.00 0.00 H new ATOM 0 HG SER A 2 4.408 22.708 -29.317 1.00 0.00 H new ATOM 19 N SER A 3 5.773 20.008 -30.876 1.00 0.00 N ATOM 20 CA SER A 3 5.002 19.254 -31.857 1.00 0.00 C ATOM 21 C SER A 3 4.505 17.939 -31.264 1.00 0.00 C ATOM 22 O SER A 3 5.292 17.044 -30.961 1.00 0.00 O ATOM 23 CB SER A 3 5.850 18.976 -33.099 1.00 0.00 C ATOM 24 OG SER A 3 5.079 18.361 -34.117 1.00 0.00 O ATOM 0 H SER A 3 6.742 20.181 -31.143 1.00 0.00 H new ATOM 0 HA SER A 3 4.138 19.854 -32.142 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.271 19.910 -33.472 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.688 18.331 -32.834 1.00 0.00 H new ATOM 0 HG SER A 3 5.644 18.196 -34.900 1.00 0.00 H new ATOM 30 N GLY A 4 3.189 17.831 -31.100 1.00 0.00 N ATOM 31 CA GLY A 4 2.608 16.623 -30.543 1.00 0.00 C ATOM 32 C GLY A 4 1.634 16.913 -29.419 1.00 0.00 C ATOM 33 O GLY A 4 2.042 17.216 -28.297 1.00 0.00 O ATOM 0 H GLY A 4 2.516 18.558 -31.343 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.094 16.073 -31.332 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.405 15.978 -30.172 1.00 0.00 H new ATOM 37 N SER A 5 0.342 16.823 -29.719 1.00 0.00 N ATOM 38 CA SER A 5 -0.693 17.083 -28.726 1.00 0.00 C ATOM 39 C SER A 5 -1.897 16.172 -28.943 1.00 0.00 C ATOM 40 O SER A 5 -2.518 16.189 -30.005 1.00 0.00 O ATOM 41 CB SER A 5 -1.131 18.549 -28.787 1.00 0.00 C ATOM 42 OG SER A 5 -2.098 18.834 -27.792 1.00 0.00 O ATOM 0 H SER A 5 -0.013 16.572 -30.642 1.00 0.00 H new ATOM 0 HA SER A 5 -0.276 16.876 -27.741 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.265 19.197 -28.653 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.543 18.768 -29.772 1.00 0.00 H new ATOM 0 HG SER A 5 -2.360 19.776 -27.851 1.00 0.00 H new ATOM 48 N SER A 6 -2.217 15.374 -27.929 1.00 0.00 N ATOM 49 CA SER A 6 -3.344 14.451 -28.009 1.00 0.00 C ATOM 50 C SER A 6 -3.878 14.125 -26.619 1.00 0.00 C ATOM 51 O SER A 6 -3.132 14.112 -25.641 1.00 0.00 O ATOM 52 CB SER A 6 -2.926 13.165 -28.724 1.00 0.00 C ATOM 53 OG SER A 6 -4.041 12.532 -29.328 1.00 0.00 O ATOM 0 H SER A 6 -1.712 15.348 -27.043 1.00 0.00 H new ATOM 0 HA SER A 6 -4.138 14.933 -28.579 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.178 13.394 -29.483 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.459 12.485 -28.012 1.00 0.00 H new ATOM 0 HG SER A 6 -3.747 11.713 -29.780 1.00 0.00 H new ATOM 59 N GLY A 7 -5.179 13.858 -26.538 1.00 0.00 N ATOM 60 CA GLY A 7 -5.792 13.534 -25.264 1.00 0.00 C ATOM 61 C GLY A 7 -6.950 12.566 -25.406 1.00 0.00 C ATOM 62 O GLY A 7 -7.918 12.846 -26.113 1.00 0.00 O ATOM 0 H GLY A 7 -5.818 13.861 -27.333 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.041 13.102 -24.603 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.145 14.450 -24.791 1.00 0.00 H new ATOM 66 N GLY A 8 -6.850 11.422 -24.737 1.00 0.00 N ATOM 67 CA GLY A 8 -7.903 10.426 -24.807 1.00 0.00 C ATOM 68 C GLY A 8 -7.757 9.513 -26.008 1.00 0.00 C ATOM 69 O GLY A 8 -8.016 9.920 -27.140 1.00 0.00 O ATOM 0 H GLY A 8 -6.058 11.167 -24.147 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -7.894 9.827 -23.896 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -8.870 10.927 -24.850 1.00 0.00 H new ATOM 73 N GLN A 9 -7.341 8.275 -25.760 1.00 0.00 N ATOM 74 CA GLN A 9 -7.159 7.303 -26.832 1.00 0.00 C ATOM 75 C GLN A 9 -8.087 6.106 -26.644 1.00 0.00 C ATOM 76 O GLN A 9 -8.588 5.862 -25.546 1.00 0.00 O ATOM 77 CB GLN A 9 -5.705 6.832 -26.881 1.00 0.00 C ATOM 78 CG GLN A 9 -4.799 7.743 -27.694 1.00 0.00 C ATOM 79 CD GLN A 9 -3.345 7.315 -27.644 1.00 0.00 C ATOM 80 OE1 GLN A 9 -2.502 8.005 -27.070 1.00 0.00 O ATOM 81 NE2 GLN A 9 -3.044 6.170 -28.246 1.00 0.00 N ATOM 0 H GLN A 9 -7.124 7.922 -24.828 1.00 0.00 H new ATOM 0 HA GLN A 9 -7.408 7.789 -27.775 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -5.319 6.763 -25.864 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -5.671 5.828 -27.304 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -5.136 7.753 -28.731 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -4.887 8.763 -27.321 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -3.775 5.630 -28.710 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -2.082 5.831 -28.245 1.00 0.00 H new ATOM 90 N LEU A 10 -8.311 5.364 -27.722 1.00 0.00 N ATOM 91 CA LEU A 10 -9.180 4.192 -27.677 1.00 0.00 C ATOM 92 C LEU A 10 -8.359 2.909 -27.583 1.00 0.00 C ATOM 93 O LEU A 10 -7.731 2.491 -28.555 1.00 0.00 O ATOM 94 CB LEU A 10 -10.076 4.148 -28.916 1.00 0.00 C ATOM 95 CG LEU A 10 -11.226 5.155 -28.948 1.00 0.00 C ATOM 96 CD1 LEU A 10 -10.731 6.516 -29.415 1.00 0.00 C ATOM 97 CD2 LEU A 10 -12.347 4.656 -29.848 1.00 0.00 C ATOM 0 H LEU A 10 -7.904 5.552 -28.638 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.805 4.268 -26.787 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.453 4.310 -29.796 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.495 3.145 -29.002 1.00 0.00 H new ATOM 0 HG LEU A 10 -11.619 5.261 -27.937 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -11.563 7.220 -29.432 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.963 6.878 -28.731 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -10.312 6.426 -30.417 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -13.157 5.385 -29.859 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -11.967 4.520 -30.861 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -12.721 3.704 -29.470 1.00 0.00 H new ATOM 109 N ALA A 11 -8.371 2.291 -26.407 1.00 0.00 N ATOM 110 CA ALA A 11 -7.631 1.054 -26.187 1.00 0.00 C ATOM 111 C ALA A 11 -8.041 0.395 -24.875 1.00 0.00 C ATOM 112 O ALA A 11 -8.594 1.045 -23.990 1.00 0.00 O ATOM 113 CB ALA A 11 -6.134 1.324 -26.200 1.00 0.00 C ATOM 0 H ALA A 11 -8.885 2.626 -25.592 1.00 0.00 H new ATOM 0 HA ALA A 11 -7.871 0.367 -26.999 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.595 0.391 -26.034 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.848 1.742 -27.165 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.885 2.032 -25.410 1.00 0.00 H new ATOM 119 N GLN A 12 -7.766 -0.901 -24.758 1.00 0.00 N ATOM 120 CA GLN A 12 -8.107 -1.647 -23.552 1.00 0.00 C ATOM 121 C GLN A 12 -7.417 -1.054 -22.330 1.00 0.00 C ATOM 122 O GLN A 12 -6.211 -1.222 -22.142 1.00 0.00 O ATOM 123 CB GLN A 12 -7.716 -3.118 -23.710 1.00 0.00 C ATOM 124 CG GLN A 12 -6.233 -3.329 -23.973 1.00 0.00 C ATOM 125 CD GLN A 12 -5.939 -4.669 -24.617 1.00 0.00 C ATOM 126 OE1 GLN A 12 -5.977 -5.708 -23.959 1.00 0.00 O ATOM 127 NE2 GLN A 12 -5.645 -4.651 -25.912 1.00 0.00 N ATOM 0 H GLN A 12 -7.309 -1.455 -25.482 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.185 -1.578 -23.406 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -7.997 -3.659 -22.806 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.287 -3.551 -24.531 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -5.865 -2.532 -24.619 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -5.687 -3.255 -23.033 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -5.625 -3.766 -26.418 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -5.439 -5.522 -26.400 1.00 0.00 H new ATOM 136 N ASP A 13 -8.186 -0.357 -21.501 1.00 0.00 N ATOM 137 CA ASP A 13 -7.648 0.262 -20.296 1.00 0.00 C ATOM 138 C ASP A 13 -8.769 0.641 -19.332 1.00 0.00 C ATOM 139 O ASP A 13 -9.825 1.115 -19.750 1.00 0.00 O ATOM 140 CB ASP A 13 -6.826 1.501 -20.655 1.00 0.00 C ATOM 141 CG ASP A 13 -6.556 2.385 -19.453 1.00 0.00 C ATOM 142 OD1 ASP A 13 -7.513 3.004 -18.945 1.00 0.00 O ATOM 143 OD2 ASP A 13 -5.387 2.458 -19.022 1.00 0.00 O ATOM 0 H ASP A 13 -9.185 -0.207 -21.642 1.00 0.00 H new ATOM 0 HA ASP A 13 -7.000 -0.463 -19.804 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.878 1.190 -21.094 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.355 2.077 -21.414 1.00 0.00 H new ATOM 148 N GLY A 14 -8.531 0.429 -18.042 1.00 0.00 N ATOM 149 CA GLY A 14 -9.531 0.753 -17.041 1.00 0.00 C ATOM 150 C GLY A 14 -8.917 1.073 -15.691 1.00 0.00 C ATOM 151 O GLY A 14 -9.412 0.629 -14.655 1.00 0.00 O ATOM 0 H GLY A 14 -7.664 0.039 -17.672 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.118 1.606 -17.381 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -10.219 -0.086 -16.934 1.00 0.00 H new ATOM 155 N VAL A 15 -7.835 1.844 -15.703 1.00 0.00 N ATOM 156 CA VAL A 15 -7.152 2.223 -14.472 1.00 0.00 C ATOM 157 C VAL A 15 -6.813 3.708 -14.466 1.00 0.00 C ATOM 158 O VAL A 15 -6.315 4.261 -15.447 1.00 0.00 O ATOM 159 CB VAL A 15 -5.858 1.411 -14.276 1.00 0.00 C ATOM 160 CG1 VAL A 15 -4.765 1.914 -15.206 1.00 0.00 C ATOM 161 CG2 VAL A 15 -5.405 1.474 -12.825 1.00 0.00 C ATOM 0 H VAL A 15 -7.412 2.219 -16.552 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.836 2.007 -13.651 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.062 0.370 -14.525 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.859 1.328 -15.053 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.092 1.812 -16.241 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.559 2.963 -14.992 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.489 0.895 -12.704 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.218 2.511 -12.547 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.183 1.061 -12.183 1.00 0.00 H new ATOM 171 N PRO A 16 -7.085 4.373 -13.334 1.00 0.00 N ATOM 172 CA PRO A 16 -6.816 5.805 -13.172 1.00 0.00 C ATOM 173 C PRO A 16 -5.324 6.111 -13.106 1.00 0.00 C ATOM 174 O PRO A 16 -4.493 5.206 -13.180 1.00 0.00 O ATOM 175 CB PRO A 16 -7.490 6.144 -11.840 1.00 0.00 C ATOM 176 CG PRO A 16 -7.516 4.858 -11.089 1.00 0.00 C ATOM 177 CD PRO A 16 -7.678 3.778 -12.124 1.00 0.00 C ATOM 0 HA PRO A 16 -7.189 6.387 -14.015 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.933 6.908 -11.298 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.497 6.533 -11.994 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.596 4.719 -10.521 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.338 4.840 -10.374 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.163 2.862 -11.833 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.726 3.520 -12.275 1.00 0.00 H new ATOM 185 N GLU A 17 -4.991 7.390 -12.967 1.00 0.00 N ATOM 186 CA GLU A 17 -3.598 7.813 -12.893 1.00 0.00 C ATOM 187 C GLU A 17 -3.057 7.654 -11.474 1.00 0.00 C ATOM 188 O GLU A 17 -1.927 7.207 -11.276 1.00 0.00 O ATOM 189 CB GLU A 17 -3.459 9.268 -13.343 1.00 0.00 C ATOM 190 CG GLU A 17 -4.235 10.250 -12.481 1.00 0.00 C ATOM 191 CD GLU A 17 -4.689 11.473 -13.254 1.00 0.00 C ATOM 192 OE1 GLU A 17 -5.490 11.315 -14.199 1.00 0.00 O ATOM 193 OE2 GLU A 17 -4.243 12.588 -12.913 1.00 0.00 O ATOM 0 H GLU A 17 -5.667 8.151 -12.903 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.016 7.177 -13.560 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.404 9.543 -13.332 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.801 9.354 -14.374 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.106 9.748 -12.059 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.611 10.565 -11.644 1.00 0.00 H new ATOM 200 N TRP A 18 -3.870 8.024 -10.492 1.00 0.00 N ATOM 201 CA TRP A 18 -3.473 7.924 -9.092 1.00 0.00 C ATOM 202 C TRP A 18 -3.120 6.486 -8.729 1.00 0.00 C ATOM 203 O TRP A 18 -2.474 6.234 -7.711 1.00 0.00 O ATOM 204 CB TRP A 18 -4.594 8.433 -8.185 1.00 0.00 C ATOM 205 CG TRP A 18 -5.904 7.741 -8.413 1.00 0.00 C ATOM 206 CD1 TRP A 18 -6.944 8.186 -9.176 1.00 0.00 C ATOM 207 CD2 TRP A 18 -6.311 6.479 -7.872 1.00 0.00 C ATOM 208 NE1 TRP A 18 -7.976 7.278 -9.142 1.00 0.00 N ATOM 209 CE2 TRP A 18 -7.611 6.222 -8.349 1.00 0.00 C ATOM 210 CE3 TRP A 18 -5.704 5.541 -7.033 1.00 0.00 C ATOM 211 CZ2 TRP A 18 -8.313 5.067 -8.013 1.00 0.00 C ATOM 212 CZ3 TRP A 18 -6.401 4.396 -6.700 1.00 0.00 C ATOM 213 CH2 TRP A 18 -7.694 4.165 -7.190 1.00 0.00 C ATOM 0 H TRP A 18 -4.808 8.396 -10.639 1.00 0.00 H new ATOM 0 HA TRP A 18 -2.588 8.544 -8.945 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.298 8.301 -7.144 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.724 9.503 -8.346 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -6.955 9.115 -9.726 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -8.868 7.375 -9.628 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.708 5.708 -6.652 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -9.310 4.889 -8.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -5.942 3.666 -6.050 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -8.211 3.258 -6.913 1.00 0.00 H new ATOM 224 N PHE A 19 -3.549 5.547 -9.565 1.00 0.00 N ATOM 225 CA PHE A 19 -3.279 4.134 -9.329 1.00 0.00 C ATOM 226 C PHE A 19 -2.034 3.684 -10.088 1.00 0.00 C ATOM 227 O PHE A 19 -2.101 3.344 -11.269 1.00 0.00 O ATOM 228 CB PHE A 19 -4.481 3.286 -9.753 1.00 0.00 C ATOM 229 CG PHE A 19 -4.393 1.854 -9.304 1.00 0.00 C ATOM 230 CD1 PHE A 19 -3.790 0.899 -10.106 1.00 0.00 C ATOM 231 CD2 PHE A 19 -4.912 1.465 -8.080 1.00 0.00 C ATOM 232 CE1 PHE A 19 -3.707 -0.418 -9.695 1.00 0.00 C ATOM 233 CE2 PHE A 19 -4.832 0.150 -7.664 1.00 0.00 C ATOM 234 CZ PHE A 19 -4.230 -0.793 -8.474 1.00 0.00 C ATOM 0 H PHE A 19 -4.085 5.739 -10.412 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.103 3.997 -8.262 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.390 3.730 -9.348 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.570 3.313 -10.839 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.380 1.187 -11.063 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.385 2.198 -7.443 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -3.233 -1.153 -10.329 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.240 -0.140 -6.707 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.169 -1.822 -8.152 1.00 0.00 H new ATOM 244 N HIS A 20 -0.896 3.686 -9.400 1.00 0.00 N ATOM 245 CA HIS A 20 0.366 3.279 -10.007 1.00 0.00 C ATOM 246 C HIS A 20 0.595 1.780 -9.832 1.00 0.00 C ATOM 247 O HIS A 20 1.720 1.336 -9.609 1.00 0.00 O ATOM 248 CB HIS A 20 1.527 4.059 -9.392 1.00 0.00 C ATOM 249 CG HIS A 20 1.299 5.539 -9.349 1.00 0.00 C ATOM 250 ND1 HIS A 20 2.024 6.435 -10.107 1.00 0.00 N ATOM 251 CD2 HIS A 20 0.419 6.279 -8.635 1.00 0.00 C ATOM 252 CE1 HIS A 20 1.601 7.662 -9.860 1.00 0.00 C ATOM 253 NE2 HIS A 20 0.627 7.594 -8.970 1.00 0.00 N ATOM 0 H HIS A 20 -0.822 3.965 -8.422 1.00 0.00 H new ATOM 0 HA HIS A 20 0.315 3.499 -11.073 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.701 3.697 -8.379 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.433 3.856 -9.963 1.00 0.00 H new ATOM 0 HD1 HIS A 20 2.770 6.189 -10.757 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.311 5.905 -7.933 1.00 0.00 H new ATOM 0 HE1 HIS A 20 1.986 8.566 -10.309 1.00 0.00 H new ATOM 261 N GLY A 21 -0.481 1.006 -9.934 1.00 0.00 N ATOM 262 CA GLY A 21 -0.376 -0.433 -9.783 1.00 0.00 C ATOM 263 C GLY A 21 0.463 -0.831 -8.585 1.00 0.00 C ATOM 264 O GLY A 21 0.074 -0.598 -7.441 1.00 0.00 O ATOM 0 H GLY A 21 -1.423 1.350 -10.118 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.374 -0.858 -9.681 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.061 -0.859 -10.686 1.00 0.00 H new ATOM 268 N ALA A 22 1.618 -1.435 -8.847 1.00 0.00 N ATOM 269 CA ALA A 22 2.514 -1.865 -7.782 1.00 0.00 C ATOM 270 C ALA A 22 3.867 -1.170 -7.888 1.00 0.00 C ATOM 271 O ALA A 22 4.733 -1.592 -8.656 1.00 0.00 O ATOM 272 CB ALA A 22 2.689 -3.376 -7.819 1.00 0.00 C ATOM 0 H ALA A 22 1.954 -1.637 -9.788 1.00 0.00 H new ATOM 0 HA ALA A 22 2.066 -1.585 -6.828 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.361 -3.684 -7.018 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.720 -3.858 -7.686 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.111 -3.670 -8.780 1.00 0.00 H new ATOM 278 N ILE A 23 4.043 -0.105 -7.114 1.00 0.00 N ATOM 279 CA ILE A 23 5.291 0.647 -7.121 1.00 0.00 C ATOM 280 C ILE A 23 6.110 0.366 -5.866 1.00 0.00 C ATOM 281 O ILE A 23 5.645 -0.311 -4.949 1.00 0.00 O ATOM 282 CB ILE A 23 5.034 2.162 -7.224 1.00 0.00 C ATOM 283 CG1 ILE A 23 4.097 2.620 -6.105 1.00 0.00 C ATOM 284 CG2 ILE A 23 4.452 2.509 -8.587 1.00 0.00 C ATOM 285 CD1 ILE A 23 4.041 4.123 -5.942 1.00 0.00 C ATOM 0 H ILE A 23 3.336 0.257 -6.474 1.00 0.00 H new ATOM 0 HA ILE A 23 5.851 0.321 -7.997 1.00 0.00 H new ATOM 0 HB ILE A 23 5.984 2.685 -7.113 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.093 2.247 -6.307 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.420 2.172 -5.165 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.276 3.583 -8.645 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.153 2.214 -9.368 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.510 1.979 -8.726 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.358 4.376 -5.131 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.036 4.501 -5.709 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.688 4.577 -6.868 1.00 0.00 H new ATOM 297 N SER A 24 7.330 0.891 -5.833 1.00 0.00 N ATOM 298 CA SER A 24 8.216 0.695 -4.691 1.00 0.00 C ATOM 299 C SER A 24 8.167 1.897 -3.753 1.00 0.00 C ATOM 300 O SER A 24 7.743 2.985 -4.143 1.00 0.00 O ATOM 301 CB SER A 24 9.652 0.462 -5.166 1.00 0.00 C ATOM 302 OG SER A 24 9.901 -0.916 -5.383 1.00 0.00 O ATOM 0 H SER A 24 7.728 1.455 -6.584 1.00 0.00 H new ATOM 0 HA SER A 24 7.875 -0.184 -4.145 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.828 1.016 -6.088 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.351 0.848 -4.424 1.00 0.00 H new ATOM 0 HG SER A 24 10.763 -1.025 -5.836 1.00 0.00 H new ATOM 308 N ARG A 25 8.604 1.691 -2.515 1.00 0.00 N ATOM 309 CA ARG A 25 8.609 2.756 -1.520 1.00 0.00 C ATOM 310 C ARG A 25 9.354 3.982 -2.039 1.00 0.00 C ATOM 311 O ARG A 25 8.892 5.112 -1.887 1.00 0.00 O ATOM 312 CB ARG A 25 9.253 2.268 -0.221 1.00 0.00 C ATOM 313 CG ARG A 25 8.890 3.108 0.993 1.00 0.00 C ATOM 314 CD ARG A 25 9.859 4.265 1.178 1.00 0.00 C ATOM 315 NE ARG A 25 11.070 3.858 1.885 1.00 0.00 N ATOM 316 CZ ARG A 25 11.125 3.665 3.198 1.00 0.00 C ATOM 317 NH1 ARG A 25 10.043 3.843 3.943 1.00 0.00 N ATOM 318 NH2 ARG A 25 12.265 3.294 3.768 1.00 0.00 N ATOM 0 H ARG A 25 8.959 0.796 -2.177 1.00 0.00 H new ATOM 0 HA ARG A 25 7.575 3.037 -1.322 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.951 1.236 -0.041 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.336 2.267 -0.341 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.877 3.494 0.880 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.895 2.482 1.885 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.128 4.672 0.203 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.367 5.064 1.732 1.00 0.00 H new ATOM 0 HE ARG A 25 11.920 3.714 1.341 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.166 4.129 3.508 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.088 3.694 4.951 1.00 0.00 H new ATOM 0 HH21 ARG A 25 13.099 3.157 3.198 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.307 3.146 4.776 1.00 0.00 H new ATOM 332 N GLU A 26 10.511 3.749 -2.652 1.00 0.00 N ATOM 333 CA GLU A 26 11.320 4.835 -3.193 1.00 0.00 C ATOM 334 C GLU A 26 10.616 5.507 -4.369 1.00 0.00 C ATOM 335 O GLU A 26 10.793 6.700 -4.613 1.00 0.00 O ATOM 336 CB GLU A 26 12.687 4.309 -3.636 1.00 0.00 C ATOM 337 CG GLU A 26 12.643 3.512 -4.929 1.00 0.00 C ATOM 338 CD GLU A 26 12.429 2.030 -4.693 1.00 0.00 C ATOM 339 OE1 GLU A 26 12.533 1.594 -3.527 1.00 0.00 O ATOM 340 OE2 GLU A 26 12.160 1.305 -5.673 1.00 0.00 O ATOM 0 H GLU A 26 10.908 2.819 -2.786 1.00 0.00 H new ATOM 0 HA GLU A 26 11.460 5.576 -2.406 1.00 0.00 H new ATOM 0 HB2 GLU A 26 13.368 5.151 -3.761 1.00 0.00 H new ATOM 0 HB3 GLU A 26 13.099 3.681 -2.846 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.841 3.895 -5.561 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.576 3.658 -5.474 1.00 0.00 H new ATOM 347 N ASP A 27 9.817 4.730 -5.093 1.00 0.00 N ATOM 348 CA ASP A 27 9.085 5.249 -6.242 1.00 0.00 C ATOM 349 C ASP A 27 8.010 6.238 -5.801 1.00 0.00 C ATOM 350 O ASP A 27 8.082 7.426 -6.111 1.00 0.00 O ATOM 351 CB ASP A 27 8.447 4.102 -7.028 1.00 0.00 C ATOM 352 CG ASP A 27 9.476 3.251 -7.747 1.00 0.00 C ATOM 353 OD1 ASP A 27 10.593 3.752 -7.990 1.00 0.00 O ATOM 354 OD2 ASP A 27 9.162 2.086 -8.070 1.00 0.00 O ATOM 0 H ASP A 27 9.660 3.740 -4.904 1.00 0.00 H new ATOM 0 HA ASP A 27 9.793 5.772 -6.886 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.872 3.474 -6.347 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.745 4.510 -7.755 1.00 0.00 H new ATOM 359 N ALA A 28 7.014 5.738 -5.078 1.00 0.00 N ATOM 360 CA ALA A 28 5.925 6.577 -4.593 1.00 0.00 C ATOM 361 C ALA A 28 6.437 7.951 -4.171 1.00 0.00 C ATOM 362 O ALA A 28 5.897 8.977 -4.583 1.00 0.00 O ATOM 363 CB ALA A 28 5.212 5.899 -3.433 1.00 0.00 C ATOM 0 H ALA A 28 6.938 4.755 -4.815 1.00 0.00 H new ATOM 0 HA ALA A 28 5.216 6.717 -5.409 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.401 6.537 -3.081 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.804 4.944 -3.765 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.919 5.729 -2.621 1.00 0.00 H new ATOM 369 N GLU A 29 7.480 7.961 -3.348 1.00 0.00 N ATOM 370 CA GLU A 29 8.064 9.210 -2.871 1.00 0.00 C ATOM 371 C GLU A 29 8.578 10.051 -4.035 1.00 0.00 C ATOM 372 O GLU A 29 8.416 11.270 -4.053 1.00 0.00 O ATOM 373 CB GLU A 29 9.203 8.924 -1.891 1.00 0.00 C ATOM 374 CG GLU A 29 8.729 8.570 -0.492 1.00 0.00 C ATOM 375 CD GLU A 29 9.862 8.525 0.515 1.00 0.00 C ATOM 376 OE1 GLU A 29 11.028 8.390 0.090 1.00 0.00 O ATOM 377 OE2 GLU A 29 9.582 8.625 1.728 1.00 0.00 O ATOM 0 H GLU A 29 7.938 7.120 -2.998 1.00 0.00 H new ATOM 0 HA GLU A 29 7.285 9.772 -2.357 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.807 8.104 -2.279 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.851 9.799 -1.835 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.989 9.301 -0.168 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.231 7.601 -0.516 1.00 0.00 H new ATOM 384 N ASN A 30 9.199 9.389 -5.006 1.00 0.00 N ATOM 385 CA ASN A 30 9.739 10.075 -6.174 1.00 0.00 C ATOM 386 C ASN A 30 8.618 10.530 -7.104 1.00 0.00 C ATOM 387 O ASN A 30 8.782 11.476 -7.875 1.00 0.00 O ATOM 388 CB ASN A 30 10.703 9.159 -6.929 1.00 0.00 C ATOM 389 CG ASN A 30 12.122 9.253 -6.402 1.00 0.00 C ATOM 390 OD1 ASN A 30 12.376 9.892 -5.381 1.00 0.00 O ATOM 391 ND2 ASN A 30 13.056 8.613 -7.098 1.00 0.00 N ATOM 0 H ASN A 30 9.341 8.379 -5.007 1.00 0.00 H new ATOM 0 HA ASN A 30 10.281 10.956 -5.829 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.357 8.128 -6.851 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.693 9.419 -7.987 1.00 0.00 H new ATOM 0 HD21 ASN A 30 14.028 8.639 -6.791 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.800 8.095 -7.939 1.00 0.00 H new ATOM 398 N LEU A 31 7.481 9.849 -7.027 1.00 0.00 N ATOM 399 CA LEU A 31 6.331 10.182 -7.861 1.00 0.00 C ATOM 400 C LEU A 31 5.637 11.443 -7.354 1.00 0.00 C ATOM 401 O LEU A 31 5.017 12.176 -8.125 1.00 0.00 O ATOM 402 CB LEU A 31 5.340 9.017 -7.887 1.00 0.00 C ATOM 403 CG LEU A 31 5.587 7.950 -8.955 1.00 0.00 C ATOM 404 CD1 LEU A 31 4.936 6.635 -8.556 1.00 0.00 C ATOM 405 CD2 LEU A 31 5.066 8.417 -10.306 1.00 0.00 C ATOM 0 H LEU A 31 7.330 9.062 -6.395 1.00 0.00 H new ATOM 0 HA LEU A 31 6.690 10.369 -8.873 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.352 8.534 -6.910 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.338 9.421 -8.031 1.00 0.00 H new ATOM 0 HG LEU A 31 6.662 7.789 -9.039 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.122 5.888 -9.328 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.357 6.293 -7.611 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.862 6.780 -8.443 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.250 7.645 -11.054 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.995 8.607 -10.237 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.579 9.334 -10.597 1.00 0.00 H new ATOM 417 N LEU A 32 5.748 11.690 -6.054 1.00 0.00 N ATOM 418 CA LEU A 32 5.133 12.864 -5.443 1.00 0.00 C ATOM 419 C LEU A 32 6.145 13.996 -5.300 1.00 0.00 C ATOM 420 O LEU A 32 5.783 15.172 -5.328 1.00 0.00 O ATOM 421 CB LEU A 32 4.554 12.506 -4.073 1.00 0.00 C ATOM 422 CG LEU A 32 3.529 11.372 -4.054 1.00 0.00 C ATOM 423 CD1 LEU A 32 3.250 10.928 -2.626 1.00 0.00 C ATOM 424 CD2 LEU A 32 2.242 11.805 -4.740 1.00 0.00 C ATOM 0 H LEU A 32 6.258 11.094 -5.402 1.00 0.00 H new ATOM 0 HA LEU A 32 4.327 13.202 -6.094 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.378 12.236 -3.412 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.088 13.397 -3.653 1.00 0.00 H new ATOM 0 HG LEU A 32 3.943 10.525 -4.602 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.518 10.120 -2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.174 10.577 -2.167 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.858 11.769 -2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.524 10.985 -4.717 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.825 12.667 -4.220 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.454 12.073 -5.775 1.00 0.00 H new ATOM 436 N GLU A 33 7.415 13.633 -5.148 1.00 0.00 N ATOM 437 CA GLU A 33 8.479 14.618 -5.002 1.00 0.00 C ATOM 438 C GLU A 33 8.401 15.671 -6.104 1.00 0.00 C ATOM 439 O GLU A 33 8.455 16.871 -5.836 1.00 0.00 O ATOM 440 CB GLU A 33 9.847 13.934 -5.031 1.00 0.00 C ATOM 441 CG GLU A 33 10.450 13.838 -6.424 1.00 0.00 C ATOM 442 CD GLU A 33 11.830 13.210 -6.420 1.00 0.00 C ATOM 443 OE1 GLU A 33 12.604 13.483 -5.479 1.00 0.00 O ATOM 444 OE2 GLU A 33 12.136 12.446 -7.359 1.00 0.00 O ATOM 0 H GLU A 33 7.731 12.664 -5.123 1.00 0.00 H new ATOM 0 HA GLU A 33 8.350 15.113 -4.040 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.532 14.483 -4.385 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.751 12.931 -4.616 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.790 13.251 -7.062 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.510 14.835 -6.859 1.00 0.00 H new ATOM 451 N SER A 34 8.274 15.212 -7.344 1.00 0.00 N ATOM 452 CA SER A 34 8.192 16.112 -8.489 1.00 0.00 C ATOM 453 C SER A 34 6.755 16.571 -8.718 1.00 0.00 C ATOM 454 O SER A 34 6.379 16.933 -9.832 1.00 0.00 O ATOM 455 CB SER A 34 8.726 15.423 -9.746 1.00 0.00 C ATOM 456 OG SER A 34 9.282 16.365 -10.646 1.00 0.00 O ATOM 0 H SER A 34 8.226 14.221 -7.582 1.00 0.00 H new ATOM 0 HA SER A 34 8.805 16.988 -8.276 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.483 14.689 -9.469 1.00 0.00 H new ATOM 0 HB3 SER A 34 7.919 14.879 -10.237 1.00 0.00 H new ATOM 0 HG SER A 34 9.618 15.900 -11.441 1.00 0.00 H new ATOM 462 N GLN A 35 5.957 16.550 -7.655 1.00 0.00 N ATOM 463 CA GLN A 35 4.562 16.963 -7.740 1.00 0.00 C ATOM 464 C GLN A 35 4.243 18.025 -6.692 1.00 0.00 C ATOM 465 O GLN A 35 4.881 18.106 -5.642 1.00 0.00 O ATOM 466 CB GLN A 35 3.639 15.757 -7.558 1.00 0.00 C ATOM 467 CG GLN A 35 3.785 14.709 -8.650 1.00 0.00 C ATOM 468 CD GLN A 35 3.247 15.180 -9.987 1.00 0.00 C ATOM 469 OE1 GLN A 35 2.092 15.595 -10.093 1.00 0.00 O ATOM 470 NE2 GLN A 35 4.083 15.119 -11.017 1.00 0.00 N ATOM 0 H GLN A 35 6.253 16.251 -6.726 1.00 0.00 H new ATOM 0 HA GLN A 35 4.397 17.393 -8.728 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.845 15.295 -6.593 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.605 16.102 -7.533 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.837 14.447 -8.758 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.260 13.802 -8.350 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.032 14.768 -10.884 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.777 15.423 -11.941 1.00 0.00 H new ATOM 479 N PRO A 36 3.232 18.857 -6.981 1.00 0.00 N ATOM 480 CA PRO A 36 2.805 19.928 -6.075 1.00 0.00 C ATOM 481 C PRO A 36 2.132 19.390 -4.817 1.00 0.00 C ATOM 482 O PRO A 36 1.495 18.336 -4.844 1.00 0.00 O ATOM 483 CB PRO A 36 1.806 20.727 -6.917 1.00 0.00 C ATOM 484 CG PRO A 36 1.287 19.751 -7.915 1.00 0.00 C ATOM 485 CD PRO A 36 2.426 18.817 -8.213 1.00 0.00 C ATOM 0 HA PRO A 36 3.648 20.518 -5.715 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.002 21.129 -6.301 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.288 21.574 -7.405 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.430 19.207 -7.519 1.00 0.00 H new ATOM 0 HG3 PRO A 36 0.952 20.259 -8.819 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.073 17.809 -8.429 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.000 19.147 -9.079 1.00 0.00 H new ATOM 493 N LEU A 37 2.277 20.120 -3.717 1.00 0.00 N ATOM 494 CA LEU A 37 1.682 19.716 -2.447 1.00 0.00 C ATOM 495 C LEU A 37 0.228 19.294 -2.637 1.00 0.00 C ATOM 496 O LEU A 37 -0.539 19.966 -3.325 1.00 0.00 O ATOM 497 CB LEU A 37 1.765 20.861 -1.436 1.00 0.00 C ATOM 498 CG LEU A 37 1.904 20.451 0.031 1.00 0.00 C ATOM 499 CD1 LEU A 37 0.681 19.670 0.485 1.00 0.00 C ATOM 500 CD2 LEU A 37 3.170 19.632 0.237 1.00 0.00 C ATOM 0 H LEU A 37 2.801 20.994 -3.678 1.00 0.00 H new ATOM 0 HA LEU A 37 2.242 18.862 -2.066 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.615 21.491 -1.699 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.870 21.475 -1.538 1.00 0.00 H new ATOM 0 HG LEU A 37 1.977 21.354 0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.798 19.387 1.531 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.209 20.290 0.374 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.576 18.772 -0.124 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.253 19.349 1.286 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.127 18.734 -0.379 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.038 20.226 -0.048 1.00 0.00 H new ATOM 512 N GLY A 38 -0.143 18.177 -2.020 1.00 0.00 N ATOM 513 CA GLY A 38 -1.504 17.686 -2.131 1.00 0.00 C ATOM 514 C GLY A 38 -1.609 16.463 -3.020 1.00 0.00 C ATOM 515 O GLY A 38 -2.472 15.610 -2.815 1.00 0.00 O ATOM 0 H GLY A 38 0.474 17.603 -1.445 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.881 17.443 -1.138 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.141 18.476 -2.529 1.00 0.00 H new ATOM 519 N SER A 39 -0.728 16.377 -4.013 1.00 0.00 N ATOM 520 CA SER A 39 -0.727 15.252 -4.940 1.00 0.00 C ATOM 521 C SER A 39 -0.831 13.928 -4.188 1.00 0.00 C ATOM 522 O SER A 39 0.014 13.608 -3.352 1.00 0.00 O ATOM 523 CB SER A 39 0.541 15.268 -5.794 1.00 0.00 C ATOM 524 OG SER A 39 0.765 16.551 -6.352 1.00 0.00 O ATOM 0 H SER A 39 -0.006 17.074 -4.195 1.00 0.00 H new ATOM 0 HA SER A 39 -1.596 15.349 -5.591 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.397 14.979 -5.184 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.455 14.531 -6.592 1.00 0.00 H new ATOM 0 HG SER A 39 1.337 17.073 -5.752 1.00 0.00 H new ATOM 530 N PHE A 40 -1.875 13.163 -4.492 1.00 0.00 N ATOM 531 CA PHE A 40 -2.091 11.874 -3.845 1.00 0.00 C ATOM 532 C PHE A 40 -1.904 10.730 -4.837 1.00 0.00 C ATOM 533 O PHE A 40 -1.955 10.930 -6.051 1.00 0.00 O ATOM 534 CB PHE A 40 -3.494 11.814 -3.237 1.00 0.00 C ATOM 535 CG PHE A 40 -4.588 11.723 -4.263 1.00 0.00 C ATOM 536 CD1 PHE A 40 -4.963 10.498 -4.789 1.00 0.00 C ATOM 537 CD2 PHE A 40 -5.239 12.865 -4.702 1.00 0.00 C ATOM 538 CE1 PHE A 40 -5.970 10.411 -5.733 1.00 0.00 C ATOM 539 CE2 PHE A 40 -6.247 12.784 -5.645 1.00 0.00 C ATOM 540 CZ PHE A 40 -6.612 11.557 -6.163 1.00 0.00 C ATOM 0 H PHE A 40 -2.584 13.413 -5.182 1.00 0.00 H new ATOM 0 HA PHE A 40 -1.353 11.766 -3.050 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.557 10.952 -2.573 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.654 12.701 -2.624 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.463 9.600 -4.458 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -4.956 13.828 -4.303 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -6.254 9.449 -6.134 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -6.749 13.681 -5.977 1.00 0.00 H new ATOM 0 HZ PHE A 40 -7.397 11.493 -6.902 1.00 0.00 H new ATOM 550 N LEU A 41 -1.687 9.529 -4.311 1.00 0.00 N ATOM 551 CA LEU A 41 -1.492 8.351 -5.149 1.00 0.00 C ATOM 552 C LEU A 41 -1.616 7.071 -4.328 1.00 0.00 C ATOM 553 O LEU A 41 -1.321 7.059 -3.132 1.00 0.00 O ATOM 554 CB LEU A 41 -0.122 8.405 -5.827 1.00 0.00 C ATOM 555 CG LEU A 41 1.080 8.085 -4.938 1.00 0.00 C ATOM 556 CD1 LEU A 41 1.046 8.928 -3.672 1.00 0.00 C ATOM 557 CD2 LEU A 41 1.111 6.603 -4.594 1.00 0.00 C ATOM 0 H LEU A 41 -1.642 9.346 -3.309 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.269 8.347 -5.913 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.125 7.707 -6.664 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.015 9.403 -6.244 1.00 0.00 H new ATOM 0 HG LEU A 41 1.989 8.328 -5.488 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.909 8.687 -3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.074 9.985 -3.938 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.131 8.717 -3.119 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.973 6.394 -3.961 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.198 6.333 -4.064 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.184 6.018 -5.511 1.00 0.00 H new ATOM 569 N ILE A 42 -2.051 5.997 -4.977 1.00 0.00 N ATOM 570 CA ILE A 42 -2.211 4.713 -4.307 1.00 0.00 C ATOM 571 C ILE A 42 -1.356 3.637 -4.970 1.00 0.00 C ATOM 572 O ILE A 42 -1.221 3.604 -6.193 1.00 0.00 O ATOM 573 CB ILE A 42 -3.681 4.256 -4.308 1.00 0.00 C ATOM 574 CG1 ILE A 42 -4.569 5.322 -3.661 1.00 0.00 C ATOM 575 CG2 ILE A 42 -3.824 2.928 -3.579 1.00 0.00 C ATOM 576 CD1 ILE A 42 -5.999 4.874 -3.456 1.00 0.00 C ATOM 0 H ILE A 42 -2.299 5.990 -5.966 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.883 4.852 -3.277 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.002 4.118 -5.340 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.143 5.602 -2.698 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.563 6.216 -4.285 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.869 2.618 -3.588 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.217 2.172 -4.077 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.488 3.041 -2.548 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.570 5.679 -2.994 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.443 4.621 -4.419 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -6.016 3.998 -2.807 1.00 0.00 H new ATOM 588 N ARG A 43 -0.782 2.759 -4.154 1.00 0.00 N ATOM 589 CA ARG A 43 0.058 1.681 -4.661 1.00 0.00 C ATOM 590 C ARG A 43 -0.282 0.360 -3.980 1.00 0.00 C ATOM 591 O ARG A 43 -0.105 0.208 -2.771 1.00 0.00 O ATOM 592 CB ARG A 43 1.536 2.014 -4.444 1.00 0.00 C ATOM 593 CG ARG A 43 1.927 2.125 -2.980 1.00 0.00 C ATOM 594 CD ARG A 43 3.074 3.103 -2.781 1.00 0.00 C ATOM 595 NE ARG A 43 3.360 3.331 -1.368 1.00 0.00 N ATOM 596 CZ ARG A 43 4.117 2.524 -0.631 1.00 0.00 C ATOM 597 NH1 ARG A 43 4.660 1.443 -1.172 1.00 0.00 N ATOM 598 NH2 ARG A 43 4.332 2.800 0.649 1.00 0.00 N ATOM 0 H ARG A 43 -0.883 2.773 -3.139 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.132 1.578 -5.729 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.146 1.244 -4.917 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.765 2.955 -4.945 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.066 2.449 -2.396 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.215 1.143 -2.604 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.967 2.719 -3.274 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.829 4.051 -3.259 1.00 0.00 H new ATOM 0 HE ARG A 43 2.957 4.155 -0.921 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.498 1.229 -2.156 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.240 0.825 -0.605 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.916 3.632 1.068 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.913 2.180 1.214 1.00 0.00 H new ATOM 612 N VAL A 44 -0.773 -0.596 -4.763 1.00 0.00 N ATOM 613 CA VAL A 44 -1.138 -1.905 -4.236 1.00 0.00 C ATOM 614 C VAL A 44 -0.159 -2.356 -3.160 1.00 0.00 C ATOM 615 O VAL A 44 1.038 -2.500 -3.415 1.00 0.00 O ATOM 616 CB VAL A 44 -1.183 -2.966 -5.352 1.00 0.00 C ATOM 617 CG1 VAL A 44 -1.416 -4.350 -4.764 1.00 0.00 C ATOM 618 CG2 VAL A 44 -2.259 -2.623 -6.371 1.00 0.00 C ATOM 0 H VAL A 44 -0.927 -0.488 -5.765 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.132 -1.805 -3.799 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.220 -2.971 -5.863 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.445 -5.086 -5.567 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.606 -4.594 -4.077 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.364 -4.362 -4.227 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.276 -3.383 -7.152 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.230 -2.588 -5.877 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.043 -1.651 -6.815 1.00 0.00 H new ATOM 628 N SER A 45 -0.673 -2.579 -1.954 1.00 0.00 N ATOM 629 CA SER A 45 0.157 -3.012 -0.837 1.00 0.00 C ATOM 630 C SER A 45 0.582 -4.467 -1.006 1.00 0.00 C ATOM 631 O SER A 45 -0.148 -5.276 -1.579 1.00 0.00 O ATOM 632 CB SER A 45 -0.598 -2.840 0.483 1.00 0.00 C ATOM 633 OG SER A 45 0.226 -3.169 1.588 1.00 0.00 O ATOM 0 H SER A 45 -1.661 -2.467 -1.726 1.00 0.00 H new ATOM 0 HA SER A 45 1.052 -2.390 -0.820 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.943 -1.810 0.577 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.484 -3.475 0.484 1.00 0.00 H new ATOM 0 HG SER A 45 -0.135 -3.959 2.042 1.00 0.00 H new ATOM 639 N HIS A 46 1.769 -4.792 -0.505 1.00 0.00 N ATOM 640 CA HIS A 46 2.293 -6.151 -0.600 1.00 0.00 C ATOM 641 C HIS A 46 2.486 -6.756 0.788 1.00 0.00 C ATOM 642 O HIS A 46 2.182 -7.927 1.012 1.00 0.00 O ATOM 643 CB HIS A 46 3.619 -6.157 -1.361 1.00 0.00 C ATOM 644 CG HIS A 46 3.455 -6.253 -2.846 1.00 0.00 C ATOM 645 ND1 HIS A 46 4.138 -5.447 -3.733 1.00 0.00 N ATOM 646 CD2 HIS A 46 2.683 -7.069 -3.601 1.00 0.00 C ATOM 647 CE1 HIS A 46 3.791 -5.762 -4.968 1.00 0.00 C ATOM 648 NE2 HIS A 46 2.909 -6.744 -4.916 1.00 0.00 N ATOM 0 H HIS A 46 2.386 -4.134 -0.029 1.00 0.00 H new ATOM 0 HA HIS A 46 1.568 -6.757 -1.144 1.00 0.00 H new ATOM 0 HB2 HIS A 46 4.170 -5.247 -1.122 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.223 -6.996 -1.015 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.013 -7.834 -3.237 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.165 -5.296 -5.868 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.468 -7.188 -5.721 1.00 0.00 H new ATOM 656 N SER A 47 2.996 -5.951 1.714 1.00 0.00 N ATOM 657 CA SER A 47 3.234 -6.409 3.077 1.00 0.00 C ATOM 658 C SER A 47 1.953 -6.955 3.699 1.00 0.00 C ATOM 659 O SER A 47 1.857 -8.144 4.010 1.00 0.00 O ATOM 660 CB SER A 47 3.783 -5.266 3.933 1.00 0.00 C ATOM 661 OG SER A 47 5.031 -4.813 3.440 1.00 0.00 O ATOM 0 H SER A 47 3.252 -4.978 1.545 1.00 0.00 H new ATOM 0 HA SER A 47 3.970 -7.212 3.040 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.071 -4.441 3.943 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.896 -5.602 4.964 1.00 0.00 H new ATOM 0 HG SER A 47 5.359 -4.081 4.003 1.00 0.00 H new ATOM 667 N HIS A 48 0.968 -6.080 3.877 1.00 0.00 N ATOM 668 CA HIS A 48 -0.309 -6.473 4.462 1.00 0.00 C ATOM 669 C HIS A 48 -1.410 -6.477 3.406 1.00 0.00 C ATOM 670 O HIS A 48 -1.426 -5.637 2.506 1.00 0.00 O ATOM 671 CB HIS A 48 -0.684 -5.528 5.603 1.00 0.00 C ATOM 672 CG HIS A 48 -1.437 -4.315 5.153 1.00 0.00 C ATOM 673 ND1 HIS A 48 -0.827 -3.109 4.879 1.00 0.00 N ATOM 674 CD2 HIS A 48 -2.758 -4.125 4.927 1.00 0.00 C ATOM 675 CE1 HIS A 48 -1.739 -2.230 4.506 1.00 0.00 C ATOM 676 NE2 HIS A 48 -2.921 -2.821 4.526 1.00 0.00 N ATOM 0 H HIS A 48 1.030 -5.094 3.624 1.00 0.00 H new ATOM 0 HA HIS A 48 -0.205 -7.483 4.858 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.288 -6.071 6.330 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.225 -5.212 6.116 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.539 -4.862 5.041 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -1.551 -1.203 4.231 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -3.809 -2.381 4.283 1.00 0.00 H new ATOM 684 N VAL A 49 -2.331 -7.430 3.522 1.00 0.00 N ATOM 685 CA VAL A 49 -3.436 -7.543 2.578 1.00 0.00 C ATOM 686 C VAL A 49 -4.249 -6.254 2.526 1.00 0.00 C ATOM 687 O VAL A 49 -4.953 -5.914 3.475 1.00 0.00 O ATOM 688 CB VAL A 49 -4.370 -8.712 2.946 1.00 0.00 C ATOM 689 CG1 VAL A 49 -5.013 -8.475 4.304 1.00 0.00 C ATOM 690 CG2 VAL A 49 -5.429 -8.905 1.871 1.00 0.00 C ATOM 0 H VAL A 49 -2.333 -8.134 4.260 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.998 -7.732 1.598 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.776 -9.624 3.007 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.669 -9.311 4.547 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.237 -8.390 5.064 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.595 -7.554 4.275 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.080 -9.735 2.147 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.021 -7.995 1.776 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.945 -9.124 0.919 1.00 0.00 H new ATOM 700 N GLY A 50 -4.146 -5.541 1.409 1.00 0.00 N ATOM 701 CA GLY A 50 -4.877 -4.298 1.253 1.00 0.00 C ATOM 702 C GLY A 50 -4.156 -3.309 0.358 1.00 0.00 C ATOM 703 O GLY A 50 -3.401 -3.703 -0.531 1.00 0.00 O ATOM 0 H GLY A 50 -3.569 -5.802 0.609 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.862 -4.509 0.836 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.035 -3.848 2.233 1.00 0.00 H new ATOM 707 N TYR A 51 -4.391 -2.023 0.590 1.00 0.00 N ATOM 708 CA TYR A 51 -3.761 -0.975 -0.204 1.00 0.00 C ATOM 709 C TYR A 51 -3.060 0.042 0.692 1.00 0.00 C ATOM 710 O TYR A 51 -3.250 0.051 1.908 1.00 0.00 O ATOM 711 CB TYR A 51 -4.804 -0.271 -1.075 1.00 0.00 C ATOM 712 CG TYR A 51 -5.519 -1.197 -2.032 1.00 0.00 C ATOM 713 CD1 TYR A 51 -6.377 -2.184 -1.562 1.00 0.00 C ATOM 714 CD2 TYR A 51 -5.337 -1.086 -3.405 1.00 0.00 C ATOM 715 CE1 TYR A 51 -7.032 -3.034 -2.433 1.00 0.00 C ATOM 716 CE2 TYR A 51 -5.989 -1.930 -4.283 1.00 0.00 C ATOM 717 CZ TYR A 51 -6.836 -2.902 -3.791 1.00 0.00 C ATOM 718 OH TYR A 51 -7.487 -3.746 -4.662 1.00 0.00 O ATOM 0 H TYR A 51 -5.014 -1.681 1.322 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.014 -1.441 -0.847 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -5.540 0.209 -0.430 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -4.315 0.520 -1.645 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.535 -2.289 -0.499 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.674 -0.327 -3.793 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.694 -3.798 -2.052 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.837 -1.830 -5.348 1.00 0.00 H new ATOM 0 HH TYR A 51 -7.241 -3.519 -5.583 1.00 0.00 H new ATOM 728 N THR A 52 -2.248 0.899 0.081 1.00 0.00 N ATOM 729 CA THR A 52 -1.517 1.920 0.821 1.00 0.00 C ATOM 730 C THR A 52 -1.646 3.282 0.151 1.00 0.00 C ATOM 731 O THR A 52 -1.042 3.532 -0.894 1.00 0.00 O ATOM 732 CB THR A 52 -0.025 1.561 0.947 1.00 0.00 C ATOM 733 OG1 THR A 52 0.121 0.277 1.564 1.00 0.00 O ATOM 734 CG2 THR A 52 0.716 2.609 1.763 1.00 0.00 C ATOM 0 H THR A 52 -2.080 0.906 -0.925 1.00 0.00 H new ATOM 0 HA THR A 52 -1.957 1.966 1.817 1.00 0.00 H new ATOM 0 HB THR A 52 0.405 1.532 -0.054 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.073 0.056 1.639 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.768 2.334 1.839 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.629 3.579 1.274 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.283 2.665 2.762 1.00 0.00 H new ATOM 742 N LEU A 53 -2.435 4.163 0.756 1.00 0.00 N ATOM 743 CA LEU A 53 -2.642 5.503 0.218 1.00 0.00 C ATOM 744 C LEU A 53 -1.519 6.441 0.645 1.00 0.00 C ATOM 745 O LEU A 53 -0.984 6.324 1.747 1.00 0.00 O ATOM 746 CB LEU A 53 -3.991 6.057 0.684 1.00 0.00 C ATOM 747 CG LEU A 53 -4.152 7.576 0.611 1.00 0.00 C ATOM 748 CD1 LEU A 53 -4.488 8.010 -0.807 1.00 0.00 C ATOM 749 CD2 LEU A 53 -5.225 8.045 1.583 1.00 0.00 C ATOM 0 H LEU A 53 -2.942 3.973 1.620 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.639 5.436 -0.870 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.777 5.599 0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.154 5.743 1.715 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.206 8.037 0.895 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.599 9.094 -0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.686 7.707 -1.480 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.421 7.541 -1.120 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.326 9.128 1.518 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.176 7.576 1.330 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.942 7.767 2.598 1.00 0.00 H new ATOM 761 N SER A 54 -1.167 7.372 -0.235 1.00 0.00 N ATOM 762 CA SER A 54 -0.105 8.331 0.050 1.00 0.00 C ATOM 763 C SER A 54 -0.349 9.645 -0.684 1.00 0.00 C ATOM 764 O SER A 54 -1.120 9.701 -1.641 1.00 0.00 O ATOM 765 CB SER A 54 1.254 7.753 -0.353 1.00 0.00 C ATOM 766 OG SER A 54 1.514 6.539 0.330 1.00 0.00 O ATOM 0 H SER A 54 -1.601 7.483 -1.151 1.00 0.00 H new ATOM 0 HA SER A 54 -0.105 8.528 1.122 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.275 7.580 -1.429 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.040 8.475 -0.131 1.00 0.00 H new ATOM 0 HG SER A 54 2.416 6.566 0.713 1.00 0.00 H new ATOM 772 N TYR A 55 0.315 10.702 -0.228 1.00 0.00 N ATOM 773 CA TYR A 55 0.170 12.018 -0.839 1.00 0.00 C ATOM 774 C TYR A 55 1.140 13.017 -0.216 1.00 0.00 C ATOM 775 O TYR A 55 1.467 12.929 0.969 1.00 0.00 O ATOM 776 CB TYR A 55 -1.267 12.519 -0.684 1.00 0.00 C ATOM 777 CG TYR A 55 -1.644 12.844 0.744 1.00 0.00 C ATOM 778 CD1 TYR A 55 -1.101 13.945 1.395 1.00 0.00 C ATOM 779 CD2 TYR A 55 -2.545 12.050 1.443 1.00 0.00 C ATOM 780 CE1 TYR A 55 -1.442 14.245 2.699 1.00 0.00 C ATOM 781 CE2 TYR A 55 -2.894 12.343 2.747 1.00 0.00 C ATOM 782 CZ TYR A 55 -2.339 13.441 3.371 1.00 0.00 C ATOM 783 OH TYR A 55 -2.682 13.737 4.670 1.00 0.00 O ATOM 0 H TYR A 55 0.959 10.673 0.563 1.00 0.00 H new ATOM 0 HA TYR A 55 0.403 11.927 -1.900 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.401 13.410 -1.298 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.950 11.762 -1.068 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -0.399 14.578 0.872 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -2.980 11.189 0.958 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -1.009 15.104 3.190 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.597 11.716 3.275 1.00 0.00 H new ATOM 0 HH TYR A 55 -3.475 14.313 4.676 1.00 0.00 H new ATOM 793 N LYS A 56 1.595 13.970 -1.021 1.00 0.00 N ATOM 794 CA LYS A 56 2.527 14.990 -0.551 1.00 0.00 C ATOM 795 C LYS A 56 1.882 15.861 0.523 1.00 0.00 C ATOM 796 O LYS A 56 0.784 16.383 0.335 1.00 0.00 O ATOM 797 CB LYS A 56 2.991 15.863 -1.719 1.00 0.00 C ATOM 798 CG LYS A 56 4.354 16.497 -1.499 1.00 0.00 C ATOM 799 CD LYS A 56 5.473 15.607 -2.012 1.00 0.00 C ATOM 800 CE LYS A 56 6.834 16.098 -1.543 1.00 0.00 C ATOM 801 NZ LYS A 56 7.409 17.110 -2.472 1.00 0.00 N ATOM 0 H LYS A 56 1.334 14.058 -2.003 1.00 0.00 H new ATOM 0 HA LYS A 56 3.390 14.486 -0.117 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.023 15.257 -2.625 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.256 16.650 -1.888 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.394 17.461 -2.006 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.499 16.689 -0.436 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.314 14.585 -1.666 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.449 15.582 -3.101 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.740 16.531 -0.547 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.516 15.252 -1.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.441 17.146 -2.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.185 16.848 -3.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.003 18.044 -2.262 1.00 0.00 H new ATOM 815 N ALA A 57 2.574 16.014 1.647 1.00 0.00 N ATOM 816 CA ALA A 57 2.071 16.825 2.749 1.00 0.00 C ATOM 817 C ALA A 57 3.020 17.977 3.061 1.00 0.00 C ATOM 818 O ALA A 57 4.239 17.821 3.004 1.00 0.00 O ATOM 819 CB ALA A 57 1.859 15.964 3.985 1.00 0.00 C ATOM 0 H ALA A 57 3.484 15.587 1.819 1.00 0.00 H new ATOM 0 HA ALA A 57 1.113 17.249 2.447 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.483 16.583 4.800 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.136 15.179 3.762 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.806 15.512 4.280 1.00 0.00 H new ATOM 825 N GLN A 58 2.452 19.133 3.390 1.00 0.00 N ATOM 826 CA GLN A 58 3.249 20.312 3.709 1.00 0.00 C ATOM 827 C GLN A 58 4.542 19.919 4.417 1.00 0.00 C ATOM 828 O GLN A 58 5.616 20.423 4.091 1.00 0.00 O ATOM 829 CB GLN A 58 2.446 21.274 4.587 1.00 0.00 C ATOM 830 CG GLN A 58 1.487 22.155 3.803 1.00 0.00 C ATOM 831 CD GLN A 58 0.259 22.540 4.606 1.00 0.00 C ATOM 832 OE1 GLN A 58 0.359 22.910 5.775 1.00 0.00 O ATOM 833 NE2 GLN A 58 -0.909 22.453 3.979 1.00 0.00 N ATOM 0 H GLN A 58 1.444 19.278 3.443 1.00 0.00 H new ATOM 0 HA GLN A 58 3.504 20.811 2.774 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.881 20.698 5.320 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.137 21.908 5.143 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.007 23.059 3.486 1.00 0.00 H new ATOM 0 HG3 GLN A 58 1.176 21.632 2.899 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.945 22.141 3.009 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.770 22.698 4.468 1.00 0.00 H new ATOM 842 N SER A 59 4.429 19.016 5.385 1.00 0.00 N ATOM 843 CA SER A 59 5.590 18.559 6.142 1.00 0.00 C ATOM 844 C SER A 59 6.458 17.630 5.297 1.00 0.00 C ATOM 845 O SER A 59 7.612 17.939 5.004 1.00 0.00 O ATOM 846 CB SER A 59 5.143 17.839 7.416 1.00 0.00 C ATOM 847 OG SER A 59 6.254 17.309 8.119 1.00 0.00 O ATOM 0 H SER A 59 3.547 18.586 5.664 1.00 0.00 H new ATOM 0 HA SER A 59 6.182 19.432 6.415 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.600 18.533 8.058 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.453 17.035 7.160 1.00 0.00 H new ATOM 0 HG SER A 59 5.942 16.856 8.930 1.00 0.00 H new ATOM 853 N SER A 60 5.891 16.492 4.909 1.00 0.00 N ATOM 854 CA SER A 60 6.614 15.516 4.101 1.00 0.00 C ATOM 855 C SER A 60 5.687 14.389 3.654 1.00 0.00 C ATOM 856 O SER A 60 4.598 14.214 4.200 1.00 0.00 O ATOM 857 CB SER A 60 7.791 14.940 4.891 1.00 0.00 C ATOM 858 OG SER A 60 8.961 15.717 4.700 1.00 0.00 O ATOM 0 H SER A 60 4.935 16.223 5.141 1.00 0.00 H new ATOM 0 HA SER A 60 6.994 16.024 3.215 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.541 14.908 5.951 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.977 13.913 4.576 1.00 0.00 H new ATOM 0 HG SER A 60 8.785 16.644 4.966 1.00 0.00 H new ATOM 864 N CYS A 61 6.129 13.630 2.657 1.00 0.00 N ATOM 865 CA CYS A 61 5.339 12.520 2.135 1.00 0.00 C ATOM 866 C CYS A 61 4.711 11.718 3.270 1.00 0.00 C ATOM 867 O CYS A 61 5.325 11.522 4.319 1.00 0.00 O ATOM 868 CB CYS A 61 6.213 11.609 1.273 1.00 0.00 C ATOM 869 SG CYS A 61 5.299 10.301 0.420 1.00 0.00 S ATOM 0 H CYS A 61 7.028 13.763 2.195 1.00 0.00 H new ATOM 0 HA CYS A 61 4.538 12.932 1.521 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.733 12.217 0.532 1.00 0.00 H new ATOM 0 HB3 CYS A 61 6.976 11.153 1.903 1.00 0.00 H new ATOM 0 HG CYS A 61 5.551 9.157 0.984 1.00 0.00 H new ATOM 875 N CYS A 62 3.483 11.259 3.053 1.00 0.00 N ATOM 876 CA CYS A 62 2.770 10.480 4.058 1.00 0.00 C ATOM 877 C CYS A 62 2.434 9.090 3.532 1.00 0.00 C ATOM 878 O CYS A 62 2.332 8.913 2.318 1.00 0.00 O ATOM 879 CB CYS A 62 1.489 11.202 4.479 1.00 0.00 C ATOM 880 SG CYS A 62 1.762 12.857 5.157 1.00 0.00 S ATOM 0 H CYS A 62 2.961 11.413 2.190 1.00 0.00 H new ATOM 0 HA CYS A 62 3.420 10.372 4.926 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.828 11.279 3.616 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.972 10.597 5.224 1.00 0.00 H new ATOM 0 HG CYS A 62 2.901 13.317 4.733 1.00 0.00 H new ATOM 886 N HIS A 63 2.272 8.141 4.443 1.00 0.00 N ATOM 887 CA HIS A 63 1.952 6.778 4.057 1.00 0.00 C ATOM 888 C HIS A 63 0.848 6.233 4.967 1.00 0.00 C ATOM 889 O HIS A 63 1.066 5.911 6.135 1.00 0.00 O ATOM 890 CB HIS A 63 3.208 5.904 4.058 1.00 0.00 C ATOM 891 CG HIS A 63 4.230 6.296 3.018 1.00 0.00 C ATOM 892 ND1 HIS A 63 4.047 6.069 1.666 1.00 0.00 N ATOM 893 CD2 HIS A 63 5.445 6.902 3.147 1.00 0.00 C ATOM 894 CE1 HIS A 63 5.112 6.522 1.019 1.00 0.00 C ATOM 895 NE2 HIS A 63 5.978 7.037 1.939 1.00 0.00 N ATOM 0 H HIS A 63 2.357 8.290 5.448 1.00 0.00 H new ATOM 0 HA HIS A 63 1.572 6.765 3.035 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.671 5.952 5.044 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.916 4.867 3.893 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.897 7.219 4.075 1.00 0.00 H new ATOM 0 HE1 HIS A 63 5.267 6.489 -0.049 1.00 0.00 H new ATOM 0 HE2 HIS A 63 6.885 7.456 1.733 1.00 0.00 H new ATOM 903 N PHE A 64 -0.349 6.136 4.399 1.00 0.00 N ATOM 904 CA PHE A 64 -1.505 5.635 5.135 1.00 0.00 C ATOM 905 C PHE A 64 -1.809 4.190 4.751 1.00 0.00 C ATOM 906 O PHE A 64 -1.735 3.820 3.579 1.00 0.00 O ATOM 907 CB PHE A 64 -2.727 6.514 4.867 1.00 0.00 C ATOM 908 CG PHE A 64 -2.468 7.980 5.072 1.00 0.00 C ATOM 909 CD1 PHE A 64 -1.971 8.760 4.041 1.00 0.00 C ATOM 910 CD2 PHE A 64 -2.721 8.577 6.297 1.00 0.00 C ATOM 911 CE1 PHE A 64 -1.732 10.109 4.227 1.00 0.00 C ATOM 912 CE2 PHE A 64 -2.484 9.925 6.489 1.00 0.00 C ATOM 913 CZ PHE A 64 -1.988 10.692 5.453 1.00 0.00 C ATOM 0 H PHE A 64 -0.545 6.397 3.433 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.269 5.668 6.199 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.063 6.352 3.843 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.540 6.202 5.522 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.768 8.309 3.081 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.108 7.982 7.111 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.346 10.706 3.415 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.686 10.378 7.448 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.801 11.745 5.601 1.00 0.00 H new ATOM 923 N MET A 65 -2.152 3.379 5.746 1.00 0.00 N ATOM 924 CA MET A 65 -2.470 1.974 5.511 1.00 0.00 C ATOM 925 C MET A 65 -3.965 1.787 5.273 1.00 0.00 C ATOM 926 O MET A 65 -4.793 2.336 6.000 1.00 0.00 O ATOM 927 CB MET A 65 -2.020 1.124 6.701 1.00 0.00 C ATOM 928 CG MET A 65 -2.969 1.186 7.886 1.00 0.00 C ATOM 929 SD MET A 65 -2.532 0.018 9.189 1.00 0.00 S ATOM 930 CE MET A 65 -3.074 -1.524 8.456 1.00 0.00 C ATOM 0 H MET A 65 -2.217 3.669 6.722 1.00 0.00 H new ATOM 0 HA MET A 65 -1.936 1.649 4.618 1.00 0.00 H new ATOM 0 HB2 MET A 65 -1.921 0.087 6.379 1.00 0.00 H new ATOM 0 HB3 MET A 65 -1.032 1.455 7.020 1.00 0.00 H new ATOM 0 HG2 MET A 65 -2.968 2.197 8.294 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.984 0.981 7.545 1.00 0.00 H new ATOM 0 HE1 MET A 65 -3.765 -2.026 9.134 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.577 -1.321 7.511 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.211 -2.165 8.277 1.00 0.00 H new ATOM 940 N VAL A 66 -4.303 1.009 4.251 1.00 0.00 N ATOM 941 CA VAL A 66 -5.698 0.749 3.917 1.00 0.00 C ATOM 942 C VAL A 66 -6.040 -0.727 4.097 1.00 0.00 C ATOM 943 O VAL A 66 -5.747 -1.553 3.232 1.00 0.00 O ATOM 944 CB VAL A 66 -6.017 1.165 2.469 1.00 0.00 C ATOM 945 CG1 VAL A 66 -7.470 0.868 2.134 1.00 0.00 C ATOM 946 CG2 VAL A 66 -5.704 2.639 2.258 1.00 0.00 C ATOM 0 H VAL A 66 -3.630 0.547 3.639 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.303 1.346 4.600 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.388 0.582 1.796 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.675 1.169 1.107 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.658 -0.200 2.243 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.120 1.422 2.811 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.935 2.916 1.230 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.306 3.240 2.940 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.647 2.818 2.453 1.00 0.00 H new ATOM 956 N LYS A 67 -6.663 -1.051 5.224 1.00 0.00 N ATOM 957 CA LYS A 67 -7.048 -2.426 5.518 1.00 0.00 C ATOM 958 C LYS A 67 -8.175 -2.885 4.597 1.00 0.00 C ATOM 959 O LYS A 67 -8.881 -2.065 4.007 1.00 0.00 O ATOM 960 CB LYS A 67 -7.485 -2.554 6.979 1.00 0.00 C ATOM 961 CG LYS A 67 -6.390 -2.212 7.974 1.00 0.00 C ATOM 962 CD LYS A 67 -6.739 -2.687 9.374 1.00 0.00 C ATOM 963 CE LYS A 67 -7.773 -1.783 10.029 1.00 0.00 C ATOM 964 NZ LYS A 67 -7.802 -1.955 11.507 1.00 0.00 N ATOM 0 H LYS A 67 -6.913 -0.379 5.950 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.181 -3.064 5.347 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.339 -1.900 7.153 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.823 -3.574 7.160 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.453 -2.670 7.657 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.230 -1.134 7.984 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.122 -3.706 9.328 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.837 -2.713 9.986 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.551 -0.743 9.789 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.759 -2.002 9.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.519 -1.322 11.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.039 -2.941 11.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.869 -1.722 11.902 1.00 0.00 H new ATOM 978 N LEU A 68 -8.340 -4.198 4.479 1.00 0.00 N ATOM 979 CA LEU A 68 -9.381 -4.765 3.631 1.00 0.00 C ATOM 980 C LEU A 68 -10.422 -5.502 4.468 1.00 0.00 C ATOM 981 O LEU A 68 -10.121 -6.512 5.106 1.00 0.00 O ATOM 982 CB LEU A 68 -8.768 -5.719 2.604 1.00 0.00 C ATOM 983 CG LEU A 68 -9.750 -6.398 1.650 1.00 0.00 C ATOM 984 CD1 LEU A 68 -10.234 -7.717 2.230 1.00 0.00 C ATOM 985 CD2 LEU A 68 -10.927 -5.480 1.353 1.00 0.00 C ATOM 0 H LEU A 68 -7.765 -4.890 4.960 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.874 -3.946 3.107 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.041 -5.164 2.011 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.218 -6.493 3.139 1.00 0.00 H new ATOM 0 HG LEU A 68 -9.231 -6.606 0.714 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -10.932 -8.185 1.536 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -9.383 -8.379 2.390 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -10.735 -7.534 3.181 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -11.616 -5.980 0.672 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -11.445 -5.240 2.282 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -10.565 -4.561 0.892 1.00 0.00 H new ATOM 997 N LEU A 69 -11.649 -4.993 4.459 1.00 0.00 N ATOM 998 CA LEU A 69 -12.737 -5.603 5.215 1.00 0.00 C ATOM 999 C LEU A 69 -13.246 -6.861 4.519 1.00 0.00 C ATOM 1000 O LEU A 69 -13.087 -7.020 3.308 1.00 0.00 O ATOM 1001 CB LEU A 69 -13.884 -4.606 5.393 1.00 0.00 C ATOM 1002 CG LEU A 69 -13.534 -3.302 6.110 1.00 0.00 C ATOM 1003 CD1 LEU A 69 -12.790 -3.587 7.405 1.00 0.00 C ATOM 1004 CD2 LEU A 69 -12.705 -2.402 5.205 1.00 0.00 C ATOM 0 H LEU A 69 -11.915 -4.159 3.936 1.00 0.00 H new ATOM 0 HA LEU A 69 -12.352 -5.883 6.195 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -14.282 -4.360 4.408 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -14.684 -5.098 5.946 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.462 -2.785 6.354 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -12.549 -2.647 7.901 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.417 -4.192 8.059 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.869 -4.127 7.184 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -12.465 -1.478 5.732 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.782 -2.913 4.930 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.273 -2.169 4.304 1.00 0.00 H new ATOM 1016 N ASP A 70 -13.857 -7.752 5.290 1.00 0.00 N ATOM 1017 CA ASP A 70 -14.393 -8.996 4.747 1.00 0.00 C ATOM 1018 C ASP A 70 -15.610 -8.726 3.868 1.00 0.00 C ATOM 1019 O ASP A 70 -16.122 -9.627 3.205 1.00 0.00 O ATOM 1020 CB ASP A 70 -14.768 -9.953 5.880 1.00 0.00 C ATOM 1021 CG ASP A 70 -14.879 -11.390 5.411 1.00 0.00 C ATOM 1022 OD1 ASP A 70 -13.833 -12.068 5.323 1.00 0.00 O ATOM 1023 OD2 ASP A 70 -16.010 -11.837 5.129 1.00 0.00 O ATOM 0 H ASP A 70 -13.994 -7.637 6.294 1.00 0.00 H new ATOM 0 HA ASP A 70 -13.620 -9.458 4.133 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -14.019 -9.888 6.669 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -15.717 -9.642 6.315 1.00 0.00 H new ATOM 1028 N ASP A 71 -16.069 -7.479 3.870 1.00 0.00 N ATOM 1029 CA ASP A 71 -17.227 -7.089 3.073 1.00 0.00 C ATOM 1030 C ASP A 71 -16.796 -6.582 1.701 1.00 0.00 C ATOM 1031 O ASP A 71 -17.587 -5.988 0.971 1.00 0.00 O ATOM 1032 CB ASP A 71 -18.033 -6.011 3.800 1.00 0.00 C ATOM 1033 CG ASP A 71 -18.591 -6.497 5.122 1.00 0.00 C ATOM 1034 OD1 ASP A 71 -18.776 -7.723 5.273 1.00 0.00 O ATOM 1035 OD2 ASP A 71 -18.845 -5.652 6.006 1.00 0.00 O ATOM 0 H ASP A 71 -15.657 -6.721 4.414 1.00 0.00 H new ATOM 0 HA ASP A 71 -17.855 -7.969 2.934 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -17.398 -5.143 3.975 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -18.853 -5.683 3.162 1.00 0.00 H new ATOM 1040 N GLY A 72 -15.535 -6.822 1.356 1.00 0.00 N ATOM 1041 CA GLY A 72 -15.019 -6.381 0.073 1.00 0.00 C ATOM 1042 C GLY A 72 -14.829 -4.879 0.008 1.00 0.00 C ATOM 1043 O GLY A 72 -14.755 -4.301 -1.076 1.00 0.00 O ATOM 0 H GLY A 72 -14.861 -7.314 1.942 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.066 -6.873 -0.120 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -15.704 -6.692 -0.716 1.00 0.00 H new ATOM 1047 N THR A 73 -14.752 -4.243 1.173 1.00 0.00 N ATOM 1048 CA THR A 73 -14.572 -2.799 1.245 1.00 0.00 C ATOM 1049 C THR A 73 -13.180 -2.442 1.755 1.00 0.00 C ATOM 1050 O THR A 73 -12.388 -3.322 2.093 1.00 0.00 O ATOM 1051 CB THR A 73 -15.624 -2.147 2.162 1.00 0.00 C ATOM 1052 OG1 THR A 73 -15.541 -2.706 3.477 1.00 0.00 O ATOM 1053 CG2 THR A 73 -17.026 -2.350 1.607 1.00 0.00 C ATOM 0 H THR A 73 -14.812 -4.706 2.080 1.00 0.00 H new ATOM 0 HA THR A 73 -14.694 -2.415 0.232 1.00 0.00 H new ATOM 0 HB THR A 73 -15.420 -1.077 2.209 1.00 0.00 H new ATOM 0 HG1 THR A 73 -16.212 -2.285 4.054 1.00 0.00 H new ATOM 0 HG21 THR A 73 -17.752 -1.881 2.271 1.00 0.00 H new ATOM 0 HG22 THR A 73 -17.095 -1.898 0.618 1.00 0.00 H new ATOM 0 HG23 THR A 73 -17.237 -3.417 1.534 1.00 0.00 H new ATOM 1061 N PHE A 74 -12.888 -1.147 1.806 1.00 0.00 N ATOM 1062 CA PHE A 74 -11.590 -0.674 2.274 1.00 0.00 C ATOM 1063 C PHE A 74 -11.752 0.520 3.209 1.00 0.00 C ATOM 1064 O PHE A 74 -12.400 1.509 2.865 1.00 0.00 O ATOM 1065 CB PHE A 74 -10.704 -0.291 1.086 1.00 0.00 C ATOM 1066 CG PHE A 74 -10.779 -1.264 -0.056 1.00 0.00 C ATOM 1067 CD1 PHE A 74 -9.989 -2.402 -0.065 1.00 0.00 C ATOM 1068 CD2 PHE A 74 -11.639 -1.042 -1.118 1.00 0.00 C ATOM 1069 CE1 PHE A 74 -10.054 -3.299 -1.115 1.00 0.00 C ATOM 1070 CE2 PHE A 74 -11.710 -1.935 -2.171 1.00 0.00 C ATOM 1071 CZ PHE A 74 -10.916 -3.065 -2.168 1.00 0.00 C ATOM 0 H PHE A 74 -13.532 -0.406 1.529 1.00 0.00 H new ATOM 0 HA PHE A 74 -11.113 -1.484 2.827 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -10.994 0.698 0.730 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.670 -0.217 1.423 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -9.315 -2.591 0.757 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -12.262 -0.160 -1.124 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -9.431 -4.182 -1.112 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -12.385 -1.749 -2.994 1.00 0.00 H new ATOM 0 HZ PHE A 74 -10.969 -3.765 -2.989 1.00 0.00 H new ATOM 1081 N MET A 75 -11.157 0.421 4.394 1.00 0.00 N ATOM 1082 CA MET A 75 -11.235 1.494 5.379 1.00 0.00 C ATOM 1083 C MET A 75 -9.884 1.710 6.055 1.00 0.00 C ATOM 1084 O MET A 75 -9.138 0.759 6.286 1.00 0.00 O ATOM 1085 CB MET A 75 -12.299 1.174 6.430 1.00 0.00 C ATOM 1086 CG MET A 75 -12.146 1.976 7.713 1.00 0.00 C ATOM 1087 SD MET A 75 -12.352 3.748 7.452 1.00 0.00 S ATOM 1088 CE MET A 75 -13.049 4.244 9.027 1.00 0.00 C ATOM 0 H MET A 75 -10.616 -0.390 4.695 1.00 0.00 H new ATOM 0 HA MET A 75 -11.513 2.411 4.860 1.00 0.00 H new ATOM 0 HB2 MET A 75 -13.285 1.365 6.007 1.00 0.00 H new ATOM 0 HB3 MET A 75 -12.255 0.111 6.668 1.00 0.00 H new ATOM 0 HG2 MET A 75 -12.880 1.632 8.442 1.00 0.00 H new ATOM 0 HG3 MET A 75 -11.161 1.787 8.140 1.00 0.00 H new ATOM 0 HE1 MET A 75 -13.429 5.263 8.952 1.00 0.00 H new ATOM 0 HE2 MET A 75 -13.865 3.571 9.292 1.00 0.00 H new ATOM 0 HE3 MET A 75 -12.278 4.200 9.796 1.00 0.00 H new ATOM 1098 N ILE A 76 -9.578 2.964 6.368 1.00 0.00 N ATOM 1099 CA ILE A 76 -8.318 3.303 7.017 1.00 0.00 C ATOM 1100 C ILE A 76 -8.482 3.375 8.532 1.00 0.00 C ATOM 1101 O ILE A 76 -9.468 3.900 9.051 1.00 0.00 O ATOM 1102 CB ILE A 76 -7.766 4.647 6.508 1.00 0.00 C ATOM 1103 CG1 ILE A 76 -7.521 4.584 4.999 1.00 0.00 C ATOM 1104 CG2 ILE A 76 -6.483 5.006 7.244 1.00 0.00 C ATOM 1105 CD1 ILE A 76 -7.517 5.941 4.330 1.00 0.00 C ATOM 0 H ILE A 76 -10.185 3.762 6.183 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.612 2.511 6.767 1.00 0.00 H new ATOM 0 HB ILE A 76 -8.504 5.424 6.705 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -6.565 4.094 4.815 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.291 3.964 4.540 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.105 5.959 6.873 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.687 5.087 8.312 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -5.737 4.229 7.075 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.338 5.819 3.262 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.481 6.425 4.483 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.729 6.557 4.762 1.00 0.00 H new ATOM 1117 N PRO A 77 -7.493 2.837 9.260 1.00 0.00 N ATOM 1118 CA PRO A 77 -7.503 2.829 10.726 1.00 0.00 C ATOM 1119 C PRO A 77 -7.311 4.223 11.315 1.00 0.00 C ATOM 1120 O PRO A 77 -6.212 4.584 11.734 1.00 0.00 O ATOM 1121 CB PRO A 77 -6.318 1.930 11.085 1.00 0.00 C ATOM 1122 CG PRO A 77 -5.403 2.024 9.913 1.00 0.00 C ATOM 1123 CD PRO A 77 -6.288 2.195 8.710 1.00 0.00 C ATOM 0 HA PRO A 77 -8.456 2.481 11.124 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.828 2.267 11.998 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.638 0.902 11.256 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.720 2.867 10.018 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.791 1.127 9.823 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.815 2.815 7.948 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -6.520 1.238 8.243 1.00 0.00 H new ATOM 1131 N GLY A 78 -8.388 5.003 11.342 1.00 0.00 N ATOM 1132 CA GLY A 78 -8.315 6.348 11.882 1.00 0.00 C ATOM 1133 C GLY A 78 -9.546 7.171 11.555 1.00 0.00 C ATOM 1134 O GLY A 78 -9.999 7.972 12.371 1.00 0.00 O ATOM 0 H GLY A 78 -9.309 4.728 11.000 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.193 6.296 12.964 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.431 6.848 11.486 1.00 0.00 H new ATOM 1138 N GLU A 79 -10.087 6.973 10.356 1.00 0.00 N ATOM 1139 CA GLU A 79 -11.271 7.704 9.923 1.00 0.00 C ATOM 1140 C GLU A 79 -12.526 7.163 10.605 1.00 0.00 C ATOM 1141 O GLU A 79 -12.450 6.286 11.465 1.00 0.00 O ATOM 1142 CB GLU A 79 -11.425 7.617 8.403 1.00 0.00 C ATOM 1143 CG GLU A 79 -10.394 8.430 7.640 1.00 0.00 C ATOM 1144 CD GLU A 79 -10.751 9.902 7.564 1.00 0.00 C ATOM 1145 OE1 GLU A 79 -10.625 10.596 8.595 1.00 0.00 O ATOM 1146 OE2 GLU A 79 -11.156 10.359 6.475 1.00 0.00 O ATOM 0 H GLU A 79 -9.724 6.313 9.669 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.145 8.748 10.209 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.351 6.573 8.098 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.422 7.960 8.127 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.422 8.320 8.121 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.297 8.031 6.630 1.00 0.00 H new ATOM 1153 N LYS A 80 -13.680 7.693 10.213 1.00 0.00 N ATOM 1154 CA LYS A 80 -14.951 7.265 10.784 1.00 0.00 C ATOM 1155 C LYS A 80 -15.904 6.789 9.692 1.00 0.00 C ATOM 1156 O LYS A 80 -17.077 6.521 9.953 1.00 0.00 O ATOM 1157 CB LYS A 80 -15.592 8.409 11.572 1.00 0.00 C ATOM 1158 CG LYS A 80 -14.820 8.793 12.823 1.00 0.00 C ATOM 1159 CD LYS A 80 -13.758 9.837 12.525 1.00 0.00 C ATOM 1160 CE LYS A 80 -14.305 11.248 12.678 1.00 0.00 C ATOM 1161 NZ LYS A 80 -13.418 12.260 12.039 1.00 0.00 N ATOM 0 H LYS A 80 -13.761 8.420 9.502 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.755 6.433 11.460 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.677 9.282 10.925 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -16.605 8.122 11.854 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -15.510 9.179 13.573 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -14.350 7.906 13.248 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.912 9.699 13.198 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.385 9.698 11.510 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -15.298 11.303 12.232 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.418 11.481 13.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.826 13.208 12.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.477 12.226 12.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -13.331 12.053 11.024 1.00 0.00 H new ATOM 1175 N VAL A 81 -15.393 6.686 8.471 1.00 0.00 N ATOM 1176 CA VAL A 81 -16.198 6.240 7.340 1.00 0.00 C ATOM 1177 C VAL A 81 -15.392 5.337 6.412 1.00 0.00 C ATOM 1178 O VAL A 81 -14.182 5.504 6.265 1.00 0.00 O ATOM 1179 CB VAL A 81 -16.741 7.433 6.532 1.00 0.00 C ATOM 1180 CG1 VAL A 81 -17.954 8.038 7.222 1.00 0.00 C ATOM 1181 CG2 VAL A 81 -15.654 8.479 6.331 1.00 0.00 C ATOM 0 H VAL A 81 -14.424 6.905 8.239 1.00 0.00 H new ATOM 0 HA VAL A 81 -17.036 5.677 7.752 1.00 0.00 H new ATOM 0 HB VAL A 81 -17.053 7.073 5.551 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -18.324 8.880 6.636 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -18.737 7.284 7.309 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -17.672 8.384 8.216 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -16.055 9.315 5.758 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -15.309 8.836 7.301 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -14.818 8.036 5.789 1.00 0.00 H new ATOM 1191 N ALA A 82 -16.071 4.380 5.789 1.00 0.00 N ATOM 1192 CA ALA A 82 -15.419 3.452 4.874 1.00 0.00 C ATOM 1193 C ALA A 82 -15.816 3.735 3.429 1.00 0.00 C ATOM 1194 O ALA A 82 -16.528 4.699 3.149 1.00 0.00 O ATOM 1195 CB ALA A 82 -15.760 2.016 5.247 1.00 0.00 C ATOM 0 H ALA A 82 -17.073 4.227 5.901 1.00 0.00 H new ATOM 0 HA ALA A 82 -14.341 3.592 4.960 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -15.266 1.333 4.555 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -15.419 1.813 6.262 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -16.839 1.872 5.191 1.00 0.00 H new ATOM 1201 N HIS A 83 -15.353 2.888 2.517 1.00 0.00 N ATOM 1202 CA HIS A 83 -15.660 3.047 1.100 1.00 0.00 C ATOM 1203 C HIS A 83 -15.663 1.696 0.388 1.00 0.00 C ATOM 1204 O HIS A 83 -15.029 0.743 0.842 1.00 0.00 O ATOM 1205 CB HIS A 83 -14.647 3.982 0.438 1.00 0.00 C ATOM 1206 CG HIS A 83 -14.340 5.203 1.249 1.00 0.00 C ATOM 1207 ND1 HIS A 83 -15.094 6.357 1.186 1.00 0.00 N ATOM 1208 CD2 HIS A 83 -13.357 5.446 2.146 1.00 0.00 C ATOM 1209 CE1 HIS A 83 -14.585 7.257 2.008 1.00 0.00 C ATOM 1210 NE2 HIS A 83 -13.531 6.730 2.603 1.00 0.00 N ATOM 0 H HIS A 83 -14.764 2.084 2.733 1.00 0.00 H new ATOM 0 HA HIS A 83 -16.655 3.484 1.017 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -13.722 3.434 0.258 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -15.030 4.289 -0.535 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -12.580 4.759 2.447 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -14.966 8.255 2.166 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -12.942 7.200 3.290 1.00 0.00 H new ATOM 1218 N THR A 84 -16.382 1.622 -0.727 1.00 0.00 N ATOM 1219 CA THR A 84 -16.470 0.390 -1.498 1.00 0.00 C ATOM 1220 C THR A 84 -15.167 0.110 -2.239 1.00 0.00 C ATOM 1221 O THR A 84 -14.741 -1.039 -2.351 1.00 0.00 O ATOM 1222 CB THR A 84 -17.624 0.446 -2.518 1.00 0.00 C ATOM 1223 OG1 THR A 84 -17.467 1.582 -3.374 1.00 0.00 O ATOM 1224 CG2 THR A 84 -18.968 0.520 -1.809 1.00 0.00 C ATOM 0 H THR A 84 -16.912 2.402 -1.116 1.00 0.00 H new ATOM 0 HA THR A 84 -16.661 -0.414 -0.787 1.00 0.00 H new ATOM 0 HB THR A 84 -17.596 -0.465 -3.116 1.00 0.00 H new ATOM 0 HG1 THR A 84 -18.203 1.609 -4.020 1.00 0.00 H new ATOM 0 HG21 THR A 84 -19.768 0.559 -2.549 1.00 0.00 H new ATOM 0 HG22 THR A 84 -19.097 -0.361 -1.181 1.00 0.00 H new ATOM 0 HG23 THR A 84 -19.003 1.416 -1.189 1.00 0.00 H new ATOM 1232 N SER A 85 -14.539 1.168 -2.743 1.00 0.00 N ATOM 1233 CA SER A 85 -13.286 1.035 -3.475 1.00 0.00 C ATOM 1234 C SER A 85 -12.465 2.318 -3.385 1.00 0.00 C ATOM 1235 O SER A 85 -12.998 3.390 -3.092 1.00 0.00 O ATOM 1236 CB SER A 85 -13.560 0.695 -4.941 1.00 0.00 C ATOM 1237 OG SER A 85 -13.961 -0.657 -5.083 1.00 0.00 O ATOM 0 H SER A 85 -14.878 2.126 -2.657 1.00 0.00 H new ATOM 0 HA SER A 85 -12.714 0.225 -3.022 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.338 1.352 -5.331 1.00 0.00 H new ATOM 0 HB3 SER A 85 -12.663 0.876 -5.534 1.00 0.00 H new ATOM 0 HG SER A 85 -14.170 -1.031 -4.201 1.00 0.00 H new ATOM 1243 N LEU A 86 -11.166 2.202 -3.637 1.00 0.00 N ATOM 1244 CA LEU A 86 -10.270 3.352 -3.585 1.00 0.00 C ATOM 1245 C LEU A 86 -10.936 4.589 -4.179 1.00 0.00 C ATOM 1246 O LEU A 86 -10.977 5.646 -3.551 1.00 0.00 O ATOM 1247 CB LEU A 86 -8.972 3.047 -4.335 1.00 0.00 C ATOM 1248 CG LEU A 86 -8.006 2.087 -3.641 1.00 0.00 C ATOM 1249 CD1 LEU A 86 -7.802 2.492 -2.189 1.00 0.00 C ATOM 1250 CD2 LEU A 86 -8.518 0.656 -3.730 1.00 0.00 C ATOM 0 H LEU A 86 -10.709 1.323 -3.880 1.00 0.00 H new ATOM 0 HA LEU A 86 -10.039 3.554 -2.539 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.228 2.632 -5.310 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.451 3.987 -4.516 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.044 2.140 -4.151 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.111 1.797 -1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.390 3.500 -2.147 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.759 2.469 -1.667 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.817 -0.013 -3.231 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -9.492 0.587 -3.246 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.611 0.367 -4.777 1.00 0.00 H new ATOM 1262 N ASP A 87 -11.458 4.447 -5.393 1.00 0.00 N ATOM 1263 CA ASP A 87 -12.126 5.552 -6.071 1.00 0.00 C ATOM 1264 C ASP A 87 -13.067 6.285 -5.120 1.00 0.00 C ATOM 1265 O ASP A 87 -12.964 7.498 -4.943 1.00 0.00 O ATOM 1266 CB ASP A 87 -12.904 5.038 -7.283 1.00 0.00 C ATOM 1267 CG ASP A 87 -13.917 6.046 -7.791 1.00 0.00 C ATOM 1268 OD1 ASP A 87 -13.553 7.232 -7.933 1.00 0.00 O ATOM 1269 OD2 ASP A 87 -15.072 5.648 -8.047 1.00 0.00 O ATOM 0 H ASP A 87 -11.431 3.578 -5.927 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.363 6.253 -6.409 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.205 4.795 -8.083 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -13.417 4.114 -7.016 1.00 0.00 H new ATOM 1274 N ALA A 88 -13.984 5.539 -4.512 1.00 0.00 N ATOM 1275 CA ALA A 88 -14.942 6.118 -3.579 1.00 0.00 C ATOM 1276 C ALA A 88 -14.264 6.517 -2.272 1.00 0.00 C ATOM 1277 O ALA A 88 -14.853 7.208 -1.440 1.00 0.00 O ATOM 1278 CB ALA A 88 -16.075 5.139 -3.310 1.00 0.00 C ATOM 0 H ALA A 88 -14.083 4.533 -4.649 1.00 0.00 H new ATOM 0 HA ALA A 88 -15.355 7.019 -4.034 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -16.783 5.585 -2.611 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -16.585 4.907 -4.245 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -15.670 4.223 -2.881 1.00 0.00 H new ATOM 1284 N LEU A 89 -13.023 6.076 -2.097 1.00 0.00 N ATOM 1285 CA LEU A 89 -12.265 6.386 -0.889 1.00 0.00 C ATOM 1286 C LEU A 89 -11.350 7.586 -1.115 1.00 0.00 C ATOM 1287 O LEU A 89 -10.917 8.236 -0.164 1.00 0.00 O ATOM 1288 CB LEU A 89 -11.437 5.174 -0.459 1.00 0.00 C ATOM 1289 CG LEU A 89 -10.103 5.479 0.222 1.00 0.00 C ATOM 1290 CD1 LEU A 89 -9.703 4.343 1.149 1.00 0.00 C ATOM 1291 CD2 LEU A 89 -9.019 5.728 -0.817 1.00 0.00 C ATOM 0 H LEU A 89 -12.521 5.503 -2.775 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.973 6.635 -0.098 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.039 4.571 0.220 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.241 4.562 -1.340 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.221 6.383 0.820 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.751 4.579 1.624 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.468 4.212 1.914 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.603 3.422 0.574 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.076 5.944 -0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -8.903 4.842 -1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -9.300 6.577 -1.440 1.00 0.00 H new ATOM 1303 N VAL A 90 -11.062 7.875 -2.380 1.00 0.00 N ATOM 1304 CA VAL A 90 -10.203 8.999 -2.731 1.00 0.00 C ATOM 1305 C VAL A 90 -11.001 10.294 -2.821 1.00 0.00 C ATOM 1306 O VAL A 90 -10.625 11.312 -2.237 1.00 0.00 O ATOM 1307 CB VAL A 90 -9.482 8.758 -4.071 1.00 0.00 C ATOM 1308 CG1 VAL A 90 -8.660 9.976 -4.462 1.00 0.00 C ATOM 1309 CG2 VAL A 90 -8.606 7.518 -3.988 1.00 0.00 C ATOM 0 H VAL A 90 -11.411 7.346 -3.179 1.00 0.00 H new ATOM 0 HA VAL A 90 -9.460 9.089 -1.939 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.233 8.594 -4.844 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.158 9.787 -5.411 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.316 10.840 -4.564 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.915 10.175 -3.691 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -8.104 7.362 -4.943 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -7.861 7.651 -3.204 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.224 6.650 -3.758 1.00 0.00 H new ATOM 1319 N THR A 91 -12.106 10.252 -3.558 1.00 0.00 N ATOM 1320 CA THR A 91 -12.958 11.422 -3.726 1.00 0.00 C ATOM 1321 C THR A 91 -13.381 11.993 -2.378 1.00 0.00 C ATOM 1322 O THR A 91 -13.301 13.201 -2.151 1.00 0.00 O ATOM 1323 CB THR A 91 -14.219 11.087 -4.547 1.00 0.00 C ATOM 1324 OG1 THR A 91 -13.849 10.699 -5.875 1.00 0.00 O ATOM 1325 CG2 THR A 91 -15.160 12.279 -4.605 1.00 0.00 C ATOM 0 H THR A 91 -12.432 9.419 -4.049 1.00 0.00 H new ATOM 0 HA THR A 91 -12.370 12.165 -4.264 1.00 0.00 H new ATOM 0 HB THR A 91 -14.736 10.261 -4.058 1.00 0.00 H new ATOM 0 HG1 THR A 91 -14.655 10.486 -6.390 1.00 0.00 H new ATOM 0 HG21 THR A 91 -16.042 12.018 -5.190 1.00 0.00 H new ATOM 0 HG22 THR A 91 -15.463 12.553 -3.594 1.00 0.00 H new ATOM 0 HG23 THR A 91 -14.651 13.122 -5.073 1.00 0.00 H new ATOM 1333 N PHE A 92 -13.830 11.118 -1.484 1.00 0.00 N ATOM 1334 CA PHE A 92 -14.266 11.535 -0.157 1.00 0.00 C ATOM 1335 C PHE A 92 -13.117 12.176 0.616 1.00 0.00 C ATOM 1336 O PHE A 92 -13.300 13.183 1.301 1.00 0.00 O ATOM 1337 CB PHE A 92 -14.814 10.339 0.622 1.00 0.00 C ATOM 1338 CG PHE A 92 -15.539 10.725 1.880 1.00 0.00 C ATOM 1339 CD1 PHE A 92 -14.836 11.067 3.024 1.00 0.00 C ATOM 1340 CD2 PHE A 92 -16.924 10.743 1.919 1.00 0.00 C ATOM 1341 CE1 PHE A 92 -15.500 11.423 4.183 1.00 0.00 C ATOM 1342 CE2 PHE A 92 -17.593 11.099 3.076 1.00 0.00 C ATOM 1343 CZ PHE A 92 -16.880 11.438 4.209 1.00 0.00 C ATOM 0 H PHE A 92 -13.901 10.115 -1.655 1.00 0.00 H new ATOM 0 HA PHE A 92 -15.057 12.275 -0.278 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -15.492 9.777 -0.020 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -13.990 9.673 0.877 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -13.756 11.055 3.010 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -17.487 10.476 1.037 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -14.940 11.689 5.067 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -18.673 11.112 3.093 1.00 0.00 H new ATOM 0 HZ PHE A 92 -17.401 11.714 5.114 1.00 0.00 H new ATOM 1353 N HIS A 93 -11.932 11.586 0.501 1.00 0.00 N ATOM 1354 CA HIS A 93 -10.752 12.099 1.188 1.00 0.00 C ATOM 1355 C HIS A 93 -10.459 13.536 0.767 1.00 0.00 C ATOM 1356 O HIS A 93 -10.128 14.380 1.599 1.00 0.00 O ATOM 1357 CB HIS A 93 -9.540 11.213 0.896 1.00 0.00 C ATOM 1358 CG HIS A 93 -9.446 10.013 1.787 1.00 0.00 C ATOM 1359 ND1 HIS A 93 -9.790 10.039 3.122 1.00 0.00 N ATOM 1360 CD2 HIS A 93 -9.046 8.747 1.528 1.00 0.00 C ATOM 1361 CE1 HIS A 93 -9.604 8.840 3.645 1.00 0.00 C ATOM 1362 NE2 HIS A 93 -9.153 8.037 2.699 1.00 0.00 N ATOM 0 H HIS A 93 -11.763 10.752 -0.061 1.00 0.00 H new ATOM 0 HA HIS A 93 -10.952 12.087 2.259 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -9.584 10.882 -0.142 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -8.632 11.807 1.003 1.00 0.00 H new ATOM 0 HD1 HIS A 93 -10.134 10.856 3.627 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -8.706 8.365 0.577 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -9.789 8.564 4.672 1.00 0.00 H new ATOM 1370 N GLN A 94 -10.583 13.805 -0.528 1.00 0.00 N ATOM 1371 CA GLN A 94 -10.330 15.140 -1.059 1.00 0.00 C ATOM 1372 C GLN A 94 -11.043 16.199 -0.226 1.00 0.00 C ATOM 1373 O GLN A 94 -10.675 17.374 -0.255 1.00 0.00 O ATOM 1374 CB GLN A 94 -10.786 15.227 -2.516 1.00 0.00 C ATOM 1375 CG GLN A 94 -9.854 14.523 -3.489 1.00 0.00 C ATOM 1376 CD GLN A 94 -10.410 14.473 -4.898 1.00 0.00 C ATOM 1377 OE1 GLN A 94 -11.598 14.222 -5.101 1.00 0.00 O ATOM 1378 NE2 GLN A 94 -9.552 14.713 -5.883 1.00 0.00 N ATOM 0 H GLN A 94 -10.857 13.117 -1.229 1.00 0.00 H new ATOM 0 HA GLN A 94 -9.257 15.327 -1.011 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -11.782 14.794 -2.602 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -10.869 16.276 -2.800 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -8.892 15.036 -3.500 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -9.670 13.507 -3.139 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -8.575 14.917 -5.670 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -9.870 14.693 -6.852 1.00 0.00 H new ATOM 1387 N GLN A 95 -12.062 15.777 0.514 1.00 0.00 N ATOM 1388 CA GLN A 95 -12.827 16.692 1.355 1.00 0.00 C ATOM 1389 C GLN A 95 -12.578 16.410 2.832 1.00 0.00 C ATOM 1390 O GLN A 95 -12.676 17.305 3.671 1.00 0.00 O ATOM 1391 CB GLN A 95 -14.320 16.575 1.045 1.00 0.00 C ATOM 1392 CG GLN A 95 -14.638 16.609 -0.441 1.00 0.00 C ATOM 1393 CD GLN A 95 -16.128 16.642 -0.718 1.00 0.00 C ATOM 1394 OE1 GLN A 95 -16.856 17.463 -0.159 1.00 0.00 O ATOM 1395 NE2 GLN A 95 -16.590 15.749 -1.586 1.00 0.00 N ATOM 0 H GLN A 95 -12.378 14.808 0.549 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.497 17.708 1.138 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -14.698 15.644 1.468 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -14.850 17.389 1.540 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.169 17.485 -0.889 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -14.202 15.733 -0.922 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -15.951 15.087 -2.026 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -17.584 15.725 -1.813 1.00 0.00 H new ATOM 1404 N LYS A 96 -12.255 15.159 3.145 1.00 0.00 N ATOM 1405 CA LYS A 96 -11.991 14.759 4.521 1.00 0.00 C ATOM 1406 C LYS A 96 -10.590 14.170 4.658 1.00 0.00 C ATOM 1407 O LYS A 96 -10.263 13.142 4.064 1.00 0.00 O ATOM 1408 CB LYS A 96 -13.032 13.738 4.986 1.00 0.00 C ATOM 1409 CG LYS A 96 -14.254 14.367 5.633 1.00 0.00 C ATOM 1410 CD LYS A 96 -14.074 14.520 7.134 1.00 0.00 C ATOM 1411 CE LYS A 96 -14.375 13.221 7.867 1.00 0.00 C ATOM 1412 NZ LYS A 96 -15.826 13.076 8.164 1.00 0.00 N ATOM 0 H LYS A 96 -12.170 14.405 2.463 1.00 0.00 H new ATOM 0 HA LYS A 96 -12.056 15.647 5.149 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.350 13.141 4.131 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.566 13.055 5.696 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -14.441 15.344 5.187 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -15.131 13.751 5.432 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.052 14.832 7.349 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.732 15.307 7.502 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.042 12.377 7.263 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.809 13.190 8.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -15.990 12.179 8.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -16.139 13.867 8.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -16.365 13.080 7.274 1.00 0.00 H new ATOM 1426 N PRO A 97 -9.744 14.833 5.459 1.00 0.00 N ATOM 1427 CA PRO A 97 -8.366 14.392 5.693 1.00 0.00 C ATOM 1428 C PRO A 97 -8.299 13.112 6.519 1.00 0.00 C ATOM 1429 O PRO A 97 -9.326 12.506 6.826 1.00 0.00 O ATOM 1430 CB PRO A 97 -7.746 15.559 6.466 1.00 0.00 C ATOM 1431 CG PRO A 97 -8.898 16.227 7.131 1.00 0.00 C ATOM 1432 CD PRO A 97 -10.067 16.064 6.199 1.00 0.00 C ATOM 0 HA PRO A 97 -7.850 14.157 4.762 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -7.017 15.207 7.196 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -7.223 16.243 5.798 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -9.106 15.773 8.100 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -8.687 17.281 7.311 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -11.006 15.970 6.745 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.171 16.919 5.531 1.00 0.00 H new ATOM 1440 N ILE A 98 -7.086 12.706 6.877 1.00 0.00 N ATOM 1441 CA ILE A 98 -6.886 11.498 7.668 1.00 0.00 C ATOM 1442 C ILE A 98 -6.783 11.826 9.154 1.00 0.00 C ATOM 1443 O ILE A 98 -6.182 12.828 9.538 1.00 0.00 O ATOM 1444 CB ILE A 98 -5.618 10.741 7.232 1.00 0.00 C ATOM 1445 CG1 ILE A 98 -5.363 10.949 5.737 1.00 0.00 C ATOM 1446 CG2 ILE A 98 -5.748 9.260 7.553 1.00 0.00 C ATOM 1447 CD1 ILE A 98 -6.557 10.621 4.870 1.00 0.00 C ATOM 0 H ILE A 98 -6.226 13.196 6.632 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.754 10.862 7.497 1.00 0.00 H new ATOM 0 HB ILE A 98 -4.767 11.138 7.785 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -5.074 11.986 5.567 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -4.520 10.329 5.431 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -4.844 8.739 7.239 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -5.887 9.131 8.626 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -6.607 8.847 7.024 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -6.304 10.791 3.823 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -6.833 9.576 5.011 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -7.396 11.259 5.149 1.00 0.00 H new ATOM 1459 N GLU A 99 -7.374 10.973 9.984 1.00 0.00 N ATOM 1460 CA GLU A 99 -7.348 11.171 11.429 1.00 0.00 C ATOM 1461 C GLU A 99 -6.012 11.759 11.874 1.00 0.00 C ATOM 1462 O GLU A 99 -5.946 12.830 12.476 1.00 0.00 O ATOM 1463 CB GLU A 99 -7.601 9.848 12.153 1.00 0.00 C ATOM 1464 CG GLU A 99 -6.896 9.743 13.496 1.00 0.00 C ATOM 1465 CD GLU A 99 -7.568 8.757 14.432 1.00 0.00 C ATOM 1466 OE1 GLU A 99 -8.625 9.104 15.001 1.00 0.00 O ATOM 1467 OE2 GLU A 99 -7.037 7.639 14.595 1.00 0.00 O ATOM 0 H GLU A 99 -7.876 10.139 9.681 1.00 0.00 H new ATOM 0 HA GLU A 99 -8.139 11.875 11.687 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -8.673 9.726 12.305 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -7.274 9.027 11.516 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.861 9.439 13.336 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -6.871 10.726 13.967 1.00 0.00 H new ATOM 1474 N PRO A 100 -4.920 11.040 11.569 1.00 0.00 N ATOM 1475 CA PRO A 100 -3.565 11.471 11.927 1.00 0.00 C ATOM 1476 C PRO A 100 -3.111 12.684 11.124 1.00 0.00 C ATOM 1477 O PRO A 100 -2.631 13.669 11.686 1.00 0.00 O ATOM 1478 CB PRO A 100 -2.705 10.251 11.587 1.00 0.00 C ATOM 1479 CG PRO A 100 -3.472 9.527 10.535 1.00 0.00 C ATOM 1480 CD PRO A 100 -4.925 9.754 10.852 1.00 0.00 C ATOM 0 HA PRO A 100 -3.497 11.781 12.970 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -1.721 10.549 11.225 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.545 9.623 12.463 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -3.225 9.905 9.543 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -3.233 8.464 10.540 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -5.531 9.801 9.947 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -5.332 8.952 11.468 1.00 0.00 H new ATOM 1488 N ARG A 101 -3.264 12.607 9.806 1.00 0.00 N ATOM 1489 CA ARG A 101 -2.868 13.699 8.925 1.00 0.00 C ATOM 1490 C ARG A 101 -4.081 14.527 8.507 1.00 0.00 C ATOM 1491 O ARG A 101 -4.972 14.035 7.815 1.00 0.00 O ATOM 1492 CB ARG A 101 -2.160 13.151 7.685 1.00 0.00 C ATOM 1493 CG ARG A 101 -0.865 12.421 7.997 1.00 0.00 C ATOM 1494 CD ARG A 101 0.192 13.367 8.544 1.00 0.00 C ATOM 1495 NE ARG A 101 1.410 12.663 8.934 1.00 0.00 N ATOM 1496 CZ ARG A 101 2.397 13.224 9.623 1.00 0.00 C ATOM 1497 NH1 ARG A 101 2.309 14.493 9.997 1.00 0.00 N ATOM 1498 NH2 ARG A 101 3.474 12.518 9.938 1.00 0.00 N ATOM 0 H ARG A 101 -3.660 11.799 9.325 1.00 0.00 H new ATOM 0 HA ARG A 101 -2.180 14.343 9.473 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -2.834 12.472 7.163 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.948 13.975 7.004 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -1.058 11.631 8.723 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -0.491 11.940 7.093 1.00 0.00 H new ATOM 0 HD2 ARG A 101 0.433 14.116 7.790 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.210 13.900 9.406 1.00 0.00 H new ATOM 0 HE ARG A 101 1.508 11.685 8.662 1.00 0.00 H new ATOM 0 HH11 ARG A 101 1.482 15.040 9.756 1.00 0.00 H new ATOM 0 HH12 ARG A 101 3.068 14.923 10.526 1.00 0.00 H new ATOM 0 HH21 ARG A 101 3.546 11.542 9.651 1.00 0.00 H new ATOM 0 HH22 ARG A 101 4.231 12.951 10.467 1.00 0.00 H new ATOM 1512 N ARG A 102 -4.106 15.785 8.934 1.00 0.00 N ATOM 1513 CA ARG A 102 -5.209 16.681 8.605 1.00 0.00 C ATOM 1514 C ARG A 102 -5.087 17.192 7.173 1.00 0.00 C ATOM 1515 O ARG A 102 -5.975 17.879 6.671 1.00 0.00 O ATOM 1516 CB ARG A 102 -5.243 17.860 9.578 1.00 0.00 C ATOM 1517 CG ARG A 102 -3.959 18.674 9.593 1.00 0.00 C ATOM 1518 CD ARG A 102 -3.859 19.581 8.377 1.00 0.00 C ATOM 1519 NE ARG A 102 -2.925 20.683 8.590 1.00 0.00 N ATOM 1520 CZ ARG A 102 -1.614 20.583 8.400 1.00 0.00 C ATOM 1521 NH1 ARG A 102 -1.086 19.437 7.993 1.00 0.00 N ATOM 1522 NH2 ARG A 102 -0.829 21.631 8.616 1.00 0.00 N ATOM 0 H ARG A 102 -3.376 16.207 9.508 1.00 0.00 H new ATOM 0 HA ARG A 102 -6.139 16.119 8.693 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -6.075 18.514 9.315 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -5.438 17.485 10.583 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.919 19.276 10.501 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -3.101 18.002 9.618 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -3.539 18.996 7.514 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -4.845 19.982 8.142 1.00 0.00 H new ATOM 0 HE ARG A 102 -3.300 21.579 8.902 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -1.687 18.630 7.825 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -0.079 19.362 7.848 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -1.232 22.514 8.928 1.00 0.00 H new ATOM 0 HH22 ARG A 102 0.177 21.553 8.470 1.00 0.00 H new ATOM 1536 N GLU A 103 -3.980 16.851 6.521 1.00 0.00 N ATOM 1537 CA GLU A 103 -3.741 17.277 5.147 1.00 0.00 C ATOM 1538 C GLU A 103 -4.799 16.704 4.208 1.00 0.00 C ATOM 1539 O GLU A 103 -5.187 15.541 4.329 1.00 0.00 O ATOM 1540 CB GLU A 103 -2.347 16.842 4.690 1.00 0.00 C ATOM 1541 CG GLU A 103 -1.267 17.874 4.964 1.00 0.00 C ATOM 1542 CD GLU A 103 -1.703 19.283 4.614 1.00 0.00 C ATOM 1543 OE1 GLU A 103 -1.987 19.539 3.425 1.00 0.00 O ATOM 1544 OE2 GLU A 103 -1.762 20.130 5.531 1.00 0.00 O ATOM 0 H GLU A 103 -3.235 16.281 6.922 1.00 0.00 H new ATOM 0 HA GLU A 103 -3.803 18.365 5.115 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -2.084 15.911 5.192 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.374 16.632 3.621 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -0.991 17.834 6.018 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -0.375 17.621 4.391 1.00 0.00 H new ATOM 1551 N LEU A 104 -5.261 17.528 3.274 1.00 0.00 N ATOM 1552 CA LEU A 104 -6.274 17.104 2.314 1.00 0.00 C ATOM 1553 C LEU A 104 -5.655 16.853 0.943 1.00 0.00 C ATOM 1554 O LEU A 104 -4.502 17.210 0.696 1.00 0.00 O ATOM 1555 CB LEU A 104 -7.374 18.161 2.203 1.00 0.00 C ATOM 1556 CG LEU A 104 -8.554 18.004 3.163 1.00 0.00 C ATOM 1557 CD1 LEU A 104 -9.607 19.069 2.893 1.00 0.00 C ATOM 1558 CD2 LEU A 104 -9.157 16.613 3.044 1.00 0.00 C ATOM 0 H LEU A 104 -4.950 18.493 3.161 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.709 16.171 2.672 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -6.926 19.141 2.366 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.758 18.152 1.183 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.189 18.133 4.182 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.439 18.942 3.585 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -9.168 20.057 3.030 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -9.969 18.972 1.869 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.995 16.520 3.734 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.507 16.454 2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.401 15.867 3.288 1.00 0.00 H new ATOM 1570 N LEU A 105 -6.428 16.239 0.054 1.00 0.00 N ATOM 1571 CA LEU A 105 -5.956 15.943 -1.295 1.00 0.00 C ATOM 1572 C LEU A 105 -6.348 17.053 -2.265 1.00 0.00 C ATOM 1573 O LEU A 105 -7.215 17.876 -1.967 1.00 0.00 O ATOM 1574 CB LEU A 105 -6.526 14.606 -1.773 1.00 0.00 C ATOM 1575 CG LEU A 105 -6.364 13.427 -0.814 1.00 0.00 C ATOM 1576 CD1 LEU A 105 -7.106 12.207 -1.339 1.00 0.00 C ATOM 1577 CD2 LEU A 105 -4.892 13.108 -0.603 1.00 0.00 C ATOM 0 H LEU A 105 -7.384 15.936 0.242 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.868 15.878 -1.268 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.588 14.739 -1.978 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.049 14.348 -2.719 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.796 13.704 0.148 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.980 11.377 -0.644 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -8.166 12.440 -1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.704 11.928 -2.313 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.797 12.266 0.083 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.435 12.851 -1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.388 13.978 -0.182 1.00 0.00 H new ATOM 1589 N THR A 106 -5.706 17.069 -3.429 1.00 0.00 N ATOM 1590 CA THR A 106 -5.987 18.076 -4.444 1.00 0.00 C ATOM 1591 C THR A 106 -6.209 17.434 -5.808 1.00 0.00 C ATOM 1592 O THR A 106 -7.261 17.610 -6.423 1.00 0.00 O ATOM 1593 CB THR A 106 -4.842 19.101 -4.552 1.00 0.00 C ATOM 1594 OG1 THR A 106 -3.804 18.588 -5.394 1.00 0.00 O ATOM 1595 CG2 THR A 106 -4.274 19.424 -3.178 1.00 0.00 C ATOM 0 H THR A 106 -4.987 16.395 -3.692 1.00 0.00 H new ATOM 0 HA THR A 106 -6.897 18.591 -4.135 1.00 0.00 H new ATOM 0 HB THR A 106 -5.243 20.017 -4.987 1.00 0.00 H new ATOM 0 HG1 THR A 106 -3.081 19.246 -5.459 1.00 0.00 H new ATOM 0 HG21 THR A 106 -3.467 20.150 -3.279 1.00 0.00 H new ATOM 0 HG22 THR A 106 -5.060 19.841 -2.548 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.888 18.513 -2.721 1.00 0.00 H new ATOM 1603 N GLN A 107 -5.213 16.689 -6.276 1.00 0.00 N ATOM 1604 CA GLN A 107 -5.301 16.021 -7.569 1.00 0.00 C ATOM 1605 C GLN A 107 -4.503 14.722 -7.567 1.00 0.00 C ATOM 1606 O GLN A 107 -3.518 14.572 -6.843 1.00 0.00 O ATOM 1607 CB GLN A 107 -4.794 16.943 -8.679 1.00 0.00 C ATOM 1608 CG GLN A 107 -3.344 17.366 -8.502 1.00 0.00 C ATOM 1609 CD GLN A 107 -2.889 18.345 -9.568 1.00 0.00 C ATOM 1610 OE1 GLN A 107 -2.316 17.951 -10.584 1.00 0.00 O ATOM 1611 NE2 GLN A 107 -3.141 19.628 -9.340 1.00 0.00 N ATOM 0 H GLN A 107 -4.336 16.533 -5.779 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.348 15.782 -7.755 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -4.902 16.437 -9.638 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -5.422 17.833 -8.716 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -3.219 17.820 -7.519 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -2.706 16.483 -8.528 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -3.619 19.910 -8.484 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -2.857 20.332 -10.021 1.00 0.00 H new ATOM 1620 N PRO A 108 -4.935 13.759 -8.393 1.00 0.00 N ATOM 1621 CA PRO A 108 -4.274 12.454 -8.505 1.00 0.00 C ATOM 1622 C PRO A 108 -2.908 12.553 -9.175 1.00 0.00 C ATOM 1623 O PRO A 108 -2.714 13.345 -10.098 1.00 0.00 O ATOM 1624 CB PRO A 108 -5.238 11.642 -9.372 1.00 0.00 C ATOM 1625 CG PRO A 108 -5.981 12.658 -10.169 1.00 0.00 C ATOM 1626 CD PRO A 108 -6.102 13.869 -9.284 1.00 0.00 C ATOM 0 HA PRO A 108 -4.080 12.009 -7.529 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -4.700 10.948 -10.018 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -5.915 11.047 -8.760 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.448 12.898 -11.089 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -6.964 12.285 -10.458 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -6.080 14.793 -9.862 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -7.037 13.865 -8.724 1.00 0.00 H new ATOM 1634 N CYS A 109 -1.964 11.744 -8.705 1.00 0.00 N ATOM 1635 CA CYS A 109 -0.615 11.740 -9.259 1.00 0.00 C ATOM 1636 C CYS A 109 -0.576 10.996 -10.590 1.00 0.00 C ATOM 1637 O CYS A 109 -1.531 10.313 -10.958 1.00 0.00 O ATOM 1638 CB CYS A 109 0.361 11.097 -8.273 1.00 0.00 C ATOM 1639 SG CYS A 109 2.100 11.453 -8.618 1.00 0.00 S ATOM 0 H CYS A 109 -2.108 11.083 -7.942 1.00 0.00 H new ATOM 0 HA CYS A 109 -0.317 12.774 -9.433 1.00 0.00 H new ATOM 0 HB2 CYS A 109 0.123 11.441 -7.266 1.00 0.00 H new ATOM 0 HB3 CYS A 109 0.213 10.017 -8.284 1.00 0.00 H new ATOM 0 HG CYS A 109 2.637 10.440 -9.231 1.00 0.00 H new ATOM 1645 N ARG A 110 0.534 11.136 -11.307 1.00 0.00 N ATOM 1646 CA ARG A 110 0.696 10.480 -12.599 1.00 0.00 C ATOM 1647 C ARG A 110 1.961 9.626 -12.620 1.00 0.00 C ATOM 1648 O ARG A 110 3.010 10.043 -12.129 1.00 0.00 O ATOM 1649 CB ARG A 110 0.751 11.519 -13.720 1.00 0.00 C ATOM 1650 CG ARG A 110 -0.136 12.728 -13.472 1.00 0.00 C ATOM 1651 CD ARG A 110 -1.570 12.465 -13.903 1.00 0.00 C ATOM 1652 NE ARG A 110 -2.275 13.698 -14.243 1.00 0.00 N ATOM 1653 CZ ARG A 110 -3.325 13.745 -15.056 1.00 0.00 C ATOM 1654 NH1 ARG A 110 -3.790 12.633 -15.608 1.00 0.00 N ATOM 1655 NH2 ARG A 110 -3.913 14.906 -15.317 1.00 0.00 N ATOM 0 H ARG A 110 1.334 11.697 -11.015 1.00 0.00 H new ATOM 0 HA ARG A 110 -0.164 9.830 -12.758 1.00 0.00 H new ATOM 0 HB2 ARG A 110 1.781 11.854 -13.844 1.00 0.00 H new ATOM 0 HB3 ARG A 110 0.454 11.047 -14.657 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -0.115 12.985 -12.413 1.00 0.00 H new ATOM 0 HG3 ARG A 110 0.257 13.587 -14.016 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -1.573 11.797 -14.764 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.101 11.953 -13.101 1.00 0.00 H new ATOM 0 HE ARG A 110 -1.943 14.571 -13.834 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -3.342 11.739 -15.409 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -4.596 12.672 -16.232 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -3.559 15.764 -14.893 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -4.719 14.941 -15.941 1.00 0.00 H new ATOM 1669 N GLN A 111 1.854 8.431 -13.191 1.00 0.00 N ATOM 1670 CA GLN A 111 2.989 7.520 -13.275 1.00 0.00 C ATOM 1671 C GLN A 111 4.204 8.218 -13.876 1.00 0.00 C ATOM 1672 O GLN A 111 4.102 9.330 -14.394 1.00 0.00 O ATOM 1673 CB GLN A 111 2.625 6.293 -14.113 1.00 0.00 C ATOM 1674 CG GLN A 111 1.500 5.461 -13.517 1.00 0.00 C ATOM 1675 CD GLN A 111 0.130 5.902 -13.994 1.00 0.00 C ATOM 1676 OE1 GLN A 111 0.012 6.683 -14.939 1.00 0.00 O ATOM 1677 NE2 GLN A 111 -0.913 5.403 -13.342 1.00 0.00 N ATOM 0 H GLN A 111 0.993 8.071 -13.602 1.00 0.00 H new ATOM 0 HA GLN A 111 3.240 7.199 -12.264 1.00 0.00 H new ATOM 0 HB2 GLN A 111 2.335 6.619 -15.112 1.00 0.00 H new ATOM 0 HB3 GLN A 111 3.509 5.666 -14.226 1.00 0.00 H new ATOM 0 HG2 GLN A 111 1.651 4.413 -13.778 1.00 0.00 H new ATOM 0 HG3 GLN A 111 1.541 5.528 -12.430 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -0.768 4.759 -12.565 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -1.860 5.664 -13.618 1.00 0.00 H new ATOM 1686 N LYS A 112 5.355 7.559 -13.802 1.00 0.00 N ATOM 1687 CA LYS A 112 6.592 8.114 -14.340 1.00 0.00 C ATOM 1688 C LYS A 112 6.733 7.793 -15.825 1.00 0.00 C ATOM 1689 O LYS A 112 6.372 6.703 -16.271 1.00 0.00 O ATOM 1690 CB LYS A 112 7.797 7.566 -13.572 1.00 0.00 C ATOM 1691 CG LYS A 112 8.050 8.274 -12.252 1.00 0.00 C ATOM 1692 CD LYS A 112 9.526 8.267 -11.890 1.00 0.00 C ATOM 1693 CE LYS A 112 9.966 6.908 -11.369 1.00 0.00 C ATOM 1694 NZ LYS A 112 11.414 6.888 -11.023 1.00 0.00 N ATOM 0 H LYS A 112 5.457 6.639 -13.374 1.00 0.00 H new ATOM 0 HA LYS A 112 6.556 9.197 -14.223 1.00 0.00 H new ATOM 0 HB2 LYS A 112 7.643 6.504 -13.381 1.00 0.00 H new ATOM 0 HB3 LYS A 112 8.686 7.652 -14.197 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.695 9.303 -12.316 1.00 0.00 H new ATOM 0 HG3 LYS A 112 7.478 7.788 -11.462 1.00 0.00 H new ATOM 0 HD2 LYS A 112 10.118 8.531 -12.767 1.00 0.00 H new ATOM 0 HD3 LYS A 112 9.720 9.028 -11.134 1.00 0.00 H new ATOM 0 HE2 LYS A 112 9.379 6.650 -10.488 1.00 0.00 H new ATOM 0 HE3 LYS A 112 9.762 6.147 -12.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.674 5.944 -10.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 11.976 7.110 -11.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 11.605 7.596 -10.286 1.00 0.00 H new ATOM 1708 N ASP A 113 7.260 8.747 -16.584 1.00 0.00 N ATOM 1709 CA ASP A 113 7.451 8.564 -18.018 1.00 0.00 C ATOM 1710 C ASP A 113 8.494 7.486 -18.294 1.00 0.00 C ATOM 1711 O ASP A 113 9.415 7.283 -17.505 1.00 0.00 O ATOM 1712 CB ASP A 113 7.876 9.881 -18.669 1.00 0.00 C ATOM 1713 CG ASP A 113 8.190 9.723 -20.143 1.00 0.00 C ATOM 1714 OD1 ASP A 113 7.239 9.637 -20.947 1.00 0.00 O ATOM 1715 OD2 ASP A 113 9.389 9.684 -20.495 1.00 0.00 O ATOM 0 H ASP A 113 7.563 9.655 -16.230 1.00 0.00 H new ATOM 0 HA ASP A 113 6.502 8.244 -18.448 1.00 0.00 H new ATOM 0 HB2 ASP A 113 7.081 10.617 -18.547 1.00 0.00 H new ATOM 0 HB3 ASP A 113 8.753 10.271 -18.153 1.00 0.00 H new ATOM 1720 N SER A 114 8.340 6.796 -19.420 1.00 0.00 N ATOM 1721 CA SER A 114 9.265 5.734 -19.798 1.00 0.00 C ATOM 1722 C SER A 114 10.164 6.180 -20.947 1.00 0.00 C ATOM 1723 O SER A 114 11.388 6.189 -20.826 1.00 0.00 O ATOM 1724 CB SER A 114 8.494 4.475 -20.199 1.00 0.00 C ATOM 1725 OG SER A 114 7.788 3.935 -19.094 1.00 0.00 O ATOM 0 H SER A 114 7.584 6.953 -20.086 1.00 0.00 H new ATOM 0 HA SER A 114 9.892 5.508 -18.935 1.00 0.00 H new ATOM 0 HB2 SER A 114 7.794 4.713 -21.000 1.00 0.00 H new ATOM 0 HB3 SER A 114 9.186 3.730 -20.591 1.00 0.00 H new ATOM 0 HG SER A 114 7.302 3.132 -19.377 1.00 0.00 H new ATOM 1731 N GLY A 115 9.545 6.551 -22.065 1.00 0.00 N ATOM 1732 CA GLY A 115 10.304 6.995 -23.220 1.00 0.00 C ATOM 1733 C GLY A 115 9.998 6.178 -24.461 1.00 0.00 C ATOM 1734 O GLY A 115 10.620 5.148 -24.721 1.00 0.00 O ATOM 0 H GLY A 115 8.533 6.552 -22.191 1.00 0.00 H new ATOM 0 HA2 GLY A 115 10.083 8.044 -23.415 1.00 0.00 H new ATOM 0 HA3 GLY A 115 11.369 6.930 -22.999 1.00 0.00 H new ATOM 1738 N PRO A 116 9.018 6.641 -25.252 1.00 0.00 N ATOM 1739 CA PRO A 116 8.609 5.961 -26.484 1.00 0.00 C ATOM 1740 C PRO A 116 9.668 6.054 -27.577 1.00 0.00 C ATOM 1741 O PRO A 116 9.871 7.115 -28.169 1.00 0.00 O ATOM 1742 CB PRO A 116 7.343 6.714 -26.901 1.00 0.00 C ATOM 1743 CG PRO A 116 7.489 8.066 -26.293 1.00 0.00 C ATOM 1744 CD PRO A 116 8.235 7.862 -25.003 1.00 0.00 C ATOM 0 HA PRO A 116 8.455 4.893 -26.328 1.00 0.00 H new ATOM 0 HB2 PRO A 116 7.258 6.775 -27.986 1.00 0.00 H new ATOM 0 HB3 PRO A 116 6.446 6.212 -26.539 1.00 0.00 H new ATOM 0 HG2 PRO A 116 8.035 8.736 -26.958 1.00 0.00 H new ATOM 0 HG3 PRO A 116 6.515 8.520 -26.113 1.00 0.00 H new ATOM 0 HD2 PRO A 116 8.878 8.711 -24.772 1.00 0.00 H new ATOM 0 HD3 PRO A 116 7.555 7.738 -24.160 1.00 0.00 H new ATOM 1752 N SER A 117 10.340 4.939 -27.840 1.00 0.00 N ATOM 1753 CA SER A 117 11.381 4.895 -28.860 1.00 0.00 C ATOM 1754 C SER A 117 10.791 5.122 -30.249 1.00 0.00 C ATOM 1755 O SER A 117 9.595 4.931 -30.465 1.00 0.00 O ATOM 1756 CB SER A 117 12.113 3.553 -28.817 1.00 0.00 C ATOM 1757 OG SER A 117 13.364 3.632 -29.479 1.00 0.00 O ATOM 0 H SER A 117 10.182 4.053 -27.360 1.00 0.00 H new ATOM 0 HA SER A 117 12.092 5.694 -28.651 1.00 0.00 H new ATOM 0 HB2 SER A 117 12.265 3.251 -27.781 1.00 0.00 H new ATOM 0 HB3 SER A 117 11.498 2.785 -29.286 1.00 0.00 H new ATOM 0 HG SER A 117 13.813 2.762 -29.436 1.00 0.00 H new ATOM 1763 N SER A 118 11.641 5.530 -31.186 1.00 0.00 N ATOM 1764 CA SER A 118 11.203 5.787 -32.554 1.00 0.00 C ATOM 1765 C SER A 118 12.258 5.329 -33.556 1.00 0.00 C ATOM 1766 O SER A 118 13.332 4.864 -33.176 1.00 0.00 O ATOM 1767 CB SER A 118 10.911 7.277 -32.748 1.00 0.00 C ATOM 1768 OG SER A 118 12.067 8.059 -32.501 1.00 0.00 O ATOM 0 H SER A 118 12.635 5.690 -31.024 1.00 0.00 H new ATOM 0 HA SER A 118 10.289 5.220 -32.730 1.00 0.00 H new ATOM 0 HB2 SER A 118 10.560 7.453 -33.765 1.00 0.00 H new ATOM 0 HB3 SER A 118 10.110 7.584 -32.076 1.00 0.00 H new ATOM 0 HG SER A 118 11.855 9.007 -32.633 1.00 0.00 H new ATOM 1774 N GLY A 119 11.944 5.465 -34.841 1.00 0.00 N ATOM 1775 CA GLY A 119 12.874 5.062 -35.879 1.00 0.00 C ATOM 1776 C GLY A 119 12.404 3.835 -36.633 1.00 0.00 C ATOM 1777 O GLY A 119 13.166 2.887 -36.827 1.00 0.00 O ATOM 0 H GLY A 119 11.062 5.847 -35.181 1.00 0.00 H new ATOM 0 HA2 GLY A 119 13.010 5.885 -36.580 1.00 0.00 H new ATOM 0 HA3 GLY A 119 13.847 4.859 -35.432 1.00 0.00 H new TER 1781 GLY A 119