USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 878 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 92 GLN : amide:sc= 1.57 K(o=1.4,f=-2.8!) USER MOD Set 1.2: A 104 HIS : no HD1:sc= -0.172 X(o=1.4,f=1.6) USER MOD Set 2.1: A 91 THR OG1 : rot -124:sc= 1.75 USER MOD Set 2.2: A 93 GLN : amide:sc= 0.661 K(o=2.4,f=0.32) USER MOD Set 3.1: A 52 SER OG : rot -105:sc= 0.878 USER MOD Set 3.2: A 61 HIS : no HD1:sc= 0.701 K(o=1.6,f=-3.6!) USER MOD Set 4.1: A 19 TYR OH : rot 180:sc= 0.936 USER MOD Set 4.2: A 49 TYR OH : rot -31:sc= 1.32 USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.14 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc=-0.00516 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 11 LYS NZ :NH3+ -175:sc= 0.916 (180deg=0.904) USER MOD Single : A 14 HIS : no HE2:sc= -0.614 K(o=-0.61,f=-2.1) USER MOD Single : A 16 GLN : amide:sc= 0.822 K(o=0.82,f=-0.92) USER MOD Single : A 20 HIS : no HE2:sc= -0.75 X(o=-0.75,f=-0.77) USER MOD Single : A 34 HIS : no HD1:sc= -0.218 X(o=-0.22,f=-0.064) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 46 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0412) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 65 GLN : amide:sc= -1.46! C(o=-1.5!,f=-3.4!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.291 X(o=-0.29,f=-0.41) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -160:sc= -0.0873 USER MOD Single : A 87 HIS : no HD1:sc= -0.847 X(o=-0.85,f=-0.86) USER MOD Single : A 90 SER OG : rot 150:sc= 1.29 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.36 USER MOD Single : A 97 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.044) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 165:sc= 0.312 USER MOD Single : A 109 SER OG : rot 48:sc= 1.22 USER MOD Single : A 112 SER OG : rot 180:sc= 0.122 USER MOD Single : A 113 SER OG : rot 83:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.678 16.841 -5.033 1.00 0.00 N ATOM 2 CA GLY A 1 -14.309 16.014 -6.185 1.00 0.00 C ATOM 3 C GLY A 1 -13.356 14.908 -5.761 1.00 0.00 C ATOM 4 O GLY A 1 -12.872 14.891 -4.625 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.704 16.777 -4.874 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.175 16.503 -4.188 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.417 17.831 -5.218 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.204 15.580 -6.631 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.840 16.633 -6.950 1.00 0.00 H new ATOM 8 N SER A 2 -13.071 13.985 -6.680 1.00 0.00 N ATOM 9 CA SER A 2 -12.192 12.845 -6.447 1.00 0.00 C ATOM 10 C SER A 2 -11.236 12.725 -7.632 1.00 0.00 C ATOM 11 O SER A 2 -10.082 13.141 -7.499 1.00 0.00 O ATOM 12 CB SER A 2 -13.028 11.595 -6.151 1.00 0.00 C ATOM 13 OG SER A 2 -13.885 11.840 -5.051 1.00 0.00 O ATOM 0 H SER A 2 -13.454 14.012 -7.625 1.00 0.00 H new ATOM 0 HA SER A 2 -11.570 12.979 -5.562 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.616 11.323 -7.028 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.373 10.752 -5.933 1.00 0.00 H new ATOM 0 HG SER A 2 -14.418 11.039 -4.867 1.00 0.00 H new ATOM 19 N SER A 3 -11.722 12.317 -8.811 1.00 0.00 N ATOM 20 CA SER A 3 -10.973 12.388 -10.062 1.00 0.00 C ATOM 21 C SER A 3 -10.477 13.828 -10.249 1.00 0.00 C ATOM 22 O SER A 3 -11.182 14.792 -9.914 1.00 0.00 O ATOM 23 CB SER A 3 -11.870 11.923 -11.217 1.00 0.00 C ATOM 24 OG SER A 3 -11.143 11.717 -12.411 1.00 0.00 O ATOM 0 H SER A 3 -12.657 11.925 -8.919 1.00 0.00 H new ATOM 0 HA SER A 3 -10.104 11.730 -10.042 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.371 10.997 -10.935 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.648 12.666 -11.392 1.00 0.00 H new ATOM 0 HG SER A 3 -11.753 11.420 -13.118 1.00 0.00 H new ATOM 30 N GLY A 4 -9.233 13.986 -10.692 1.00 0.00 N ATOM 31 CA GLY A 4 -8.545 15.261 -10.759 1.00 0.00 C ATOM 32 C GLY A 4 -7.418 15.204 -11.772 1.00 0.00 C ATOM 33 O GLY A 4 -7.528 15.808 -12.836 1.00 0.00 O ATOM 0 H GLY A 4 -8.665 13.206 -11.022 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.249 16.047 -11.033 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.147 15.518 -9.777 1.00 0.00 H new ATOM 37 N SER A 5 -6.326 14.507 -11.473 1.00 0.00 N ATOM 38 CA SER A 5 -5.286 14.214 -12.452 1.00 0.00 C ATOM 39 C SER A 5 -4.676 12.850 -12.137 1.00 0.00 C ATOM 40 O SER A 5 -4.799 12.348 -11.014 1.00 0.00 O ATOM 41 CB SER A 5 -4.226 15.322 -12.436 1.00 0.00 C ATOM 42 OG SER A 5 -4.805 16.603 -12.620 1.00 0.00 O ATOM 0 H SER A 5 -6.138 14.129 -10.544 1.00 0.00 H new ATOM 0 HA SER A 5 -5.712 14.180 -13.455 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.689 15.298 -11.488 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.494 15.137 -13.222 1.00 0.00 H new ATOM 0 HG SER A 5 -4.102 17.285 -12.603 1.00 0.00 H new ATOM 48 N SER A 6 -3.997 12.245 -13.107 1.00 0.00 N ATOM 49 CA SER A 6 -3.461 10.894 -12.997 1.00 0.00 C ATOM 50 C SER A 6 -2.199 10.819 -12.121 1.00 0.00 C ATOM 51 O SER A 6 -1.722 9.718 -11.853 1.00 0.00 O ATOM 52 CB SER A 6 -3.209 10.346 -14.406 1.00 0.00 C ATOM 53 OG SER A 6 -4.347 10.584 -15.222 1.00 0.00 O ATOM 0 H SER A 6 -3.801 12.687 -14.005 1.00 0.00 H new ATOM 0 HA SER A 6 -4.198 10.272 -12.489 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.331 10.824 -14.841 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.000 9.277 -14.359 1.00 0.00 H new ATOM 0 HG SER A 6 -4.183 10.234 -16.123 1.00 0.00 H new ATOM 59 N GLY A 7 -1.677 11.945 -11.628 1.00 0.00 N ATOM 60 CA GLY A 7 -0.564 12.000 -10.693 1.00 0.00 C ATOM 61 C GLY A 7 -1.086 12.319 -9.299 1.00 0.00 C ATOM 62 O GLY A 7 -1.415 13.473 -9.020 1.00 0.00 O ATOM 0 H GLY A 7 -2.032 12.868 -11.879 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.035 11.047 -10.685 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.152 12.760 -11.007 1.00 0.00 H new ATOM 66 N GLU A 8 -1.164 11.327 -8.410 1.00 0.00 N ATOM 67 CA GLU A 8 -1.596 11.509 -7.018 1.00 0.00 C ATOM 68 C GLU A 8 -0.489 11.107 -6.026 1.00 0.00 C ATOM 69 O GLU A 8 -0.759 10.930 -4.842 1.00 0.00 O ATOM 70 CB GLU A 8 -2.940 10.782 -6.761 1.00 0.00 C ATOM 71 CG GLU A 8 -4.118 11.413 -7.518 1.00 0.00 C ATOM 72 CD GLU A 8 -5.418 10.614 -7.393 1.00 0.00 C ATOM 73 OE1 GLU A 8 -6.219 10.881 -6.461 1.00 0.00 O ATOM 74 OE2 GLU A 8 -5.689 9.756 -8.272 1.00 0.00 O ATOM 0 H GLU A 8 -0.926 10.361 -8.637 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.777 12.570 -6.847 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.844 9.737 -7.056 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.154 10.793 -5.692 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.283 12.423 -7.142 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.856 11.504 -8.572 1.00 0.00 H new ATOM 81 N VAL A 9 0.747 10.887 -6.470 1.00 0.00 N ATOM 82 CA VAL A 9 1.874 10.453 -5.647 1.00 0.00 C ATOM 83 C VAL A 9 2.225 11.547 -4.643 1.00 0.00 C ATOM 84 O VAL A 9 2.439 11.275 -3.465 1.00 0.00 O ATOM 85 CB VAL A 9 3.096 10.162 -6.545 1.00 0.00 C ATOM 86 CG1 VAL A 9 4.242 9.511 -5.770 1.00 0.00 C ATOM 87 CG2 VAL A 9 2.732 9.244 -7.716 1.00 0.00 C ATOM 0 H VAL A 9 1.000 11.011 -7.450 1.00 0.00 H new ATOM 0 HA VAL A 9 1.599 9.545 -5.111 1.00 0.00 H new ATOM 0 HB VAL A 9 3.420 11.132 -6.921 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.078 9.326 -6.444 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.563 10.176 -4.968 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.903 8.566 -5.344 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.618 9.062 -8.325 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.355 8.296 -7.332 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.964 9.719 -8.326 1.00 0.00 H new ATOM 97 N GLN A 10 2.360 12.783 -5.126 1.00 0.00 N ATOM 98 CA GLN A 10 2.929 13.863 -4.338 1.00 0.00 C ATOM 99 C GLN A 10 1.847 14.549 -3.487 1.00 0.00 C ATOM 100 O GLN A 10 2.145 15.425 -2.666 1.00 0.00 O ATOM 101 CB GLN A 10 3.636 14.874 -5.249 1.00 0.00 C ATOM 102 CG GLN A 10 4.620 14.234 -6.246 1.00 0.00 C ATOM 103 CD GLN A 10 5.674 13.350 -5.580 1.00 0.00 C ATOM 104 OE1 GLN A 10 6.106 13.614 -4.462 1.00 0.00 O ATOM 105 NE2 GLN A 10 6.080 12.283 -6.238 1.00 0.00 N ATOM 0 H GLN A 10 2.079 13.056 -6.068 1.00 0.00 H new ATOM 0 HA GLN A 10 3.669 13.441 -3.658 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.885 15.435 -5.805 1.00 0.00 H new ATOM 0 HB3 GLN A 10 4.176 15.591 -4.630 1.00 0.00 H new ATOM 0 HG2 GLN A 10 4.059 13.638 -6.966 1.00 0.00 H new ATOM 0 HG3 GLN A 10 5.121 15.023 -6.807 1.00 0.00 H new ATOM 0 HE21 GLN A 10 5.707 12.084 -7.166 1.00 0.00 H new ATOM 0 HE22 GLN A 10 6.767 11.656 -5.819 1.00 0.00 H new ATOM 114 N LYS A 11 0.577 14.168 -3.666 1.00 0.00 N ATOM 115 CA LYS A 11 -0.482 14.479 -2.712 1.00 0.00 C ATOM 116 C LYS A 11 -0.131 13.913 -1.332 1.00 0.00 C ATOM 117 O LYS A 11 0.673 12.982 -1.239 1.00 0.00 O ATOM 118 CB LYS A 11 -1.812 13.874 -3.181 1.00 0.00 C ATOM 119 CG LYS A 11 -2.500 14.706 -4.273 1.00 0.00 C ATOM 120 CD LYS A 11 -4.011 14.484 -4.174 1.00 0.00 C ATOM 121 CE LYS A 11 -4.814 15.409 -5.086 1.00 0.00 C ATOM 122 NZ LYS A 11 -6.260 15.344 -4.782 1.00 0.00 N ATOM 0 H LYS A 11 0.260 13.636 -4.477 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.580 15.563 -2.647 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.633 12.867 -3.558 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.483 13.780 -2.327 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.264 15.763 -4.149 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.138 14.412 -5.258 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.237 13.448 -4.427 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.328 14.636 -3.142 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.462 16.434 -4.969 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.647 15.132 -6.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.786 15.917 -5.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.582 14.356 -4.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.430 15.712 -3.824 1.00 0.00 H new ATOM 136 N PRO A 12 -0.745 14.422 -0.253 1.00 0.00 N ATOM 137 CA PRO A 12 -0.557 13.837 1.060 1.00 0.00 C ATOM 138 C PRO A 12 -1.137 12.428 1.073 1.00 0.00 C ATOM 139 O PRO A 12 -1.949 12.059 0.220 1.00 0.00 O ATOM 140 CB PRO A 12 -1.286 14.753 2.045 1.00 0.00 C ATOM 141 CG PRO A 12 -2.330 15.458 1.188 1.00 0.00 C ATOM 142 CD PRO A 12 -1.711 15.510 -0.205 1.00 0.00 C ATOM 0 HA PRO A 12 0.496 13.754 1.330 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.749 14.184 2.851 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.603 15.465 2.509 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.273 14.912 1.183 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.543 16.458 1.565 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.473 15.390 -0.976 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.227 16.470 -0.382 1.00 0.00 H new ATOM 150 N LEU A 13 -0.771 11.650 2.087 1.00 0.00 N ATOM 151 CA LEU A 13 -1.374 10.358 2.367 1.00 0.00 C ATOM 152 C LEU A 13 -2.871 10.533 2.602 1.00 0.00 C ATOM 153 O LEU A 13 -3.654 9.703 2.153 1.00 0.00 O ATOM 154 CB LEU A 13 -0.646 9.709 3.543 1.00 0.00 C ATOM 155 CG LEU A 13 -1.054 8.245 3.827 1.00 0.00 C ATOM 156 CD1 LEU A 13 0.100 7.568 4.564 1.00 0.00 C ATOM 157 CD2 LEU A 13 -2.251 8.084 4.755 1.00 0.00 C ATOM 0 H LEU A 13 -0.035 11.906 2.745 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.269 9.684 1.517 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.427 9.742 3.352 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.829 10.303 4.438 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.304 7.819 2.855 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.162 6.532 4.777 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.995 7.595 3.942 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.292 8.093 5.500 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.463 7.024 4.895 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.028 8.540 5.719 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.121 8.572 4.315 1.00 0.00 H new ATOM 169 N HIS A 14 -3.281 11.632 3.239 1.00 0.00 N ATOM 170 CA HIS A 14 -4.681 11.835 3.589 1.00 0.00 C ATOM 171 C HIS A 14 -5.563 12.291 2.398 1.00 0.00 C ATOM 172 O HIS A 14 -6.694 12.742 2.604 1.00 0.00 O ATOM 173 CB HIS A 14 -4.778 12.785 4.796 1.00 0.00 C ATOM 174 CG HIS A 14 -4.463 14.221 4.467 1.00 0.00 C ATOM 175 ND1 HIS A 14 -5.202 15.020 3.627 1.00 0.00 N ATOM 176 CD2 HIS A 14 -3.392 14.951 4.900 1.00 0.00 C ATOM 177 CE1 HIS A 14 -4.577 16.200 3.524 1.00 0.00 C ATOM 178 NE2 HIS A 14 -3.481 16.213 4.300 1.00 0.00 N ATOM 0 H HIS A 14 -2.661 12.392 3.521 1.00 0.00 H new ATOM 0 HA HIS A 14 -5.094 10.866 3.870 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -5.785 12.729 5.210 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -4.094 12.442 5.573 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -6.073 14.760 3.164 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.621 14.617 5.578 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -4.907 17.022 2.906 1.00 0.00 H new ATOM 186 N GLU A 15 -5.053 12.270 1.161 1.00 0.00 N ATOM 187 CA GLU A 15 -5.845 12.447 -0.062 1.00 0.00 C ATOM 188 C GLU A 15 -5.733 11.209 -0.973 1.00 0.00 C ATOM 189 O GLU A 15 -6.140 11.257 -2.142 1.00 0.00 O ATOM 190 CB GLU A 15 -5.398 13.708 -0.828 1.00 0.00 C ATOM 191 CG GLU A 15 -5.895 15.049 -0.281 1.00 0.00 C ATOM 192 CD GLU A 15 -5.824 16.124 -1.375 1.00 0.00 C ATOM 193 OE1 GLU A 15 -4.798 16.826 -1.528 1.00 0.00 O ATOM 194 OE2 GLU A 15 -6.835 16.306 -2.104 1.00 0.00 O ATOM 0 H GLU A 15 -4.060 12.127 0.979 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.887 12.569 0.232 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.308 13.729 -0.845 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.731 13.616 -1.862 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.920 14.948 0.074 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.289 15.349 0.574 1.00 0.00 H new ATOM 201 N GLN A 16 -5.105 10.130 -0.498 1.00 0.00 N ATOM 202 CA GLN A 16 -4.871 8.947 -1.310 1.00 0.00 C ATOM 203 C GLN A 16 -6.158 8.168 -1.516 1.00 0.00 C ATOM 204 O GLN A 16 -7.173 8.406 -0.861 1.00 0.00 O ATOM 205 CB GLN A 16 -3.786 8.063 -0.682 1.00 0.00 C ATOM 206 CG GLN A 16 -2.445 8.797 -0.665 1.00 0.00 C ATOM 207 CD GLN A 16 -1.947 9.172 -2.050 1.00 0.00 C ATOM 208 OE1 GLN A 16 -2.159 8.449 -3.019 1.00 0.00 O ATOM 209 NE2 GLN A 16 -1.297 10.316 -2.168 1.00 0.00 N ATOM 0 H GLN A 16 -4.749 10.058 0.455 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.517 9.271 -2.289 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.072 7.791 0.334 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.693 7.135 -1.246 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.541 9.701 -0.064 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.701 8.168 -0.177 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.135 10.897 -1.346 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.957 10.618 -3.081 1.00 0.00 H new ATOM 218 N LEU A 17 -6.080 7.232 -2.455 1.00 0.00 N ATOM 219 CA LEU A 17 -7.198 6.459 -2.952 1.00 0.00 C ATOM 220 C LEU A 17 -7.109 5.044 -2.412 1.00 0.00 C ATOM 221 O LEU A 17 -8.092 4.509 -1.939 1.00 0.00 O ATOM 222 CB LEU A 17 -7.247 6.477 -4.487 1.00 0.00 C ATOM 223 CG LEU A 17 -5.939 6.374 -5.310 1.00 0.00 C ATOM 224 CD1 LEU A 17 -6.317 6.012 -6.751 1.00 0.00 C ATOM 225 CD2 LEU A 17 -5.103 7.663 -5.359 1.00 0.00 C ATOM 0 H LEU A 17 -5.198 6.986 -2.905 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.127 6.909 -2.603 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.891 5.655 -4.799 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.743 7.401 -4.784 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.324 5.622 -4.815 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.413 5.933 -7.355 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.845 5.058 -6.760 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.962 6.788 -7.164 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.208 7.493 -5.957 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.693 8.462 -5.807 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.815 7.948 -4.347 1.00 0.00 H new ATOM 237 N TRP A 18 -5.923 4.457 -2.386 1.00 0.00 N ATOM 238 CA TRP A 18 -5.691 3.195 -1.695 1.00 0.00 C ATOM 239 C TRP A 18 -5.818 3.311 -0.177 1.00 0.00 C ATOM 240 O TRP A 18 -5.788 2.285 0.504 1.00 0.00 O ATOM 241 CB TRP A 18 -4.349 2.619 -2.144 1.00 0.00 C ATOM 242 CG TRP A 18 -3.245 3.609 -2.310 1.00 0.00 C ATOM 243 CD1 TRP A 18 -2.735 4.041 -3.488 1.00 0.00 C ATOM 244 CD2 TRP A 18 -2.502 4.305 -1.265 1.00 0.00 C ATOM 245 NE1 TRP A 18 -1.703 4.911 -3.237 1.00 0.00 N ATOM 246 CE2 TRP A 18 -1.512 5.097 -1.893 1.00 0.00 C ATOM 247 CE3 TRP A 18 -2.549 4.357 0.143 1.00 0.00 C ATOM 248 CZ2 TRP A 18 -0.592 5.851 -1.174 1.00 0.00 C ATOM 249 CZ3 TRP A 18 -1.632 5.126 0.887 1.00 0.00 C ATOM 250 CH2 TRP A 18 -0.629 5.856 0.230 1.00 0.00 C ATOM 0 H TRP A 18 -5.095 4.840 -2.842 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.479 2.495 -1.974 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.034 1.870 -1.418 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.495 2.102 -3.093 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -3.084 3.748 -4.467 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -1.147 5.364 -3.962 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -3.308 3.793 0.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 0.153 6.434 -1.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -1.701 5.154 1.964 1.00 0.00 H new ATOM 0 HH2 TRP A 18 0.103 6.413 0.796 1.00 0.00 H new ATOM 261 N TYR A 19 -5.898 4.516 0.390 1.00 0.00 N ATOM 262 CA TYR A 19 -5.949 4.686 1.833 1.00 0.00 C ATOM 263 C TYR A 19 -7.387 4.512 2.340 1.00 0.00 C ATOM 264 O TYR A 19 -8.090 5.499 2.545 1.00 0.00 O ATOM 265 CB TYR A 19 -5.324 6.026 2.235 1.00 0.00 C ATOM 266 CG TYR A 19 -5.309 6.265 3.732 1.00 0.00 C ATOM 267 CD1 TYR A 19 -5.042 5.210 4.629 1.00 0.00 C ATOM 268 CD2 TYR A 19 -5.606 7.548 4.228 1.00 0.00 C ATOM 269 CE1 TYR A 19 -5.121 5.425 6.011 1.00 0.00 C ATOM 270 CE2 TYR A 19 -5.664 7.775 5.613 1.00 0.00 C ATOM 271 CZ TYR A 19 -5.450 6.704 6.509 1.00 0.00 C ATOM 272 OH TYR A 19 -5.532 6.883 7.856 1.00 0.00 O ATOM 0 H TYR A 19 -5.929 5.389 -0.136 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.354 3.910 2.315 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.302 6.068 1.859 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.875 6.833 1.752 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.776 4.234 4.250 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.790 8.361 3.541 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.930 4.612 6.696 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.871 8.765 5.992 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.766 7.815 8.049 1.00 0.00 H new ATOM 282 N HIS A 20 -7.853 3.271 2.542 1.00 0.00 N ATOM 283 CA HIS A 20 -9.244 3.049 2.955 1.00 0.00 C ATOM 284 C HIS A 20 -9.465 3.453 4.420 1.00 0.00 C ATOM 285 O HIS A 20 -10.593 3.765 4.790 1.00 0.00 O ATOM 286 CB HIS A 20 -9.716 1.611 2.691 1.00 0.00 C ATOM 287 CG HIS A 20 -10.194 1.331 1.288 1.00 0.00 C ATOM 288 ND1 HIS A 20 -11.477 0.964 0.930 1.00 0.00 N ATOM 289 CD2 HIS A 20 -9.429 1.354 0.153 1.00 0.00 C ATOM 290 CE1 HIS A 20 -11.480 0.767 -0.400 1.00 0.00 C ATOM 291 NE2 HIS A 20 -10.252 0.976 -0.911 1.00 0.00 N ATOM 0 H HIS A 20 -7.299 2.422 2.429 1.00 0.00 H new ATOM 0 HA HIS A 20 -9.861 3.697 2.333 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.896 0.930 2.919 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -10.524 1.380 3.384 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -12.274 0.862 1.558 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -8.383 1.616 0.091 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -12.346 0.481 -0.978 1.00 0.00 H new ATOM 299 N GLY A 21 -8.417 3.498 5.251 1.00 0.00 N ATOM 300 CA GLY A 21 -8.445 4.079 6.590 1.00 0.00 C ATOM 301 C GLY A 21 -8.056 3.039 7.626 1.00 0.00 C ATOM 302 O GLY A 21 -6.895 2.646 7.675 1.00 0.00 O ATOM 0 H GLY A 21 -7.504 3.120 5.000 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.760 4.926 6.640 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.442 4.462 6.806 1.00 0.00 H new ATOM 306 N ALA A 22 -8.997 2.582 8.450 1.00 0.00 N ATOM 307 CA ALA A 22 -8.873 1.537 9.453 1.00 0.00 C ATOM 308 C ALA A 22 -9.880 0.437 9.138 1.00 0.00 C ATOM 309 O ALA A 22 -10.996 0.408 9.655 1.00 0.00 O ATOM 310 CB ALA A 22 -9.093 2.114 10.849 1.00 0.00 C ATOM 0 H ALA A 22 -9.941 2.967 8.428 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.869 1.114 9.433 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.997 1.320 11.590 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.348 2.885 11.045 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.091 2.549 10.910 1.00 0.00 H new ATOM 316 N ILE A 23 -9.460 -0.474 8.268 1.00 0.00 N ATOM 317 CA ILE A 23 -10.279 -1.575 7.772 1.00 0.00 C ATOM 318 C ILE A 23 -9.730 -2.887 8.350 1.00 0.00 C ATOM 319 O ILE A 23 -8.501 -3.058 8.414 1.00 0.00 O ATOM 320 CB ILE A 23 -10.423 -1.550 6.222 1.00 0.00 C ATOM 321 CG1 ILE A 23 -10.113 -2.919 5.576 1.00 0.00 C ATOM 322 CG2 ILE A 23 -9.676 -0.404 5.515 1.00 0.00 C ATOM 323 CD1 ILE A 23 -10.379 -3.012 4.084 1.00 0.00 C ATOM 0 H ILE A 23 -8.518 -0.468 7.878 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.307 -1.471 8.119 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.480 -1.336 6.061 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.065 -3.157 5.756 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.705 -3.682 6.081 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.838 -0.473 4.439 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.051 0.553 5.878 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.609 -0.480 5.727 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.129 -4.013 3.731 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.433 -2.812 3.889 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.767 -2.279 3.559 1.00 0.00 H new ATOM 335 N PRO A 24 -10.597 -3.836 8.740 1.00 0.00 N ATOM 336 CA PRO A 24 -10.158 -5.120 9.245 1.00 0.00 C ATOM 337 C PRO A 24 -9.590 -6.001 8.131 1.00 0.00 C ATOM 338 O PRO A 24 -9.899 -5.857 6.948 1.00 0.00 O ATOM 339 CB PRO A 24 -11.385 -5.768 9.883 1.00 0.00 C ATOM 340 CG PRO A 24 -12.559 -5.121 9.162 1.00 0.00 C ATOM 341 CD PRO A 24 -12.050 -3.754 8.719 1.00 0.00 C ATOM 0 HA PRO A 24 -9.352 -4.996 9.968 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -11.381 -6.850 9.748 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.423 -5.581 10.956 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -12.875 -5.720 8.308 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.422 -5.026 9.821 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -12.412 -3.509 7.720 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -12.406 -2.971 9.388 1.00 0.00 H new ATOM 349 N ARG A 25 -8.768 -6.980 8.507 1.00 0.00 N ATOM 350 CA ARG A 25 -8.075 -7.832 7.547 1.00 0.00 C ATOM 351 C ARG A 25 -9.036 -8.686 6.736 1.00 0.00 C ATOM 352 O ARG A 25 -8.665 -9.123 5.647 1.00 0.00 O ATOM 353 CB ARG A 25 -7.038 -8.711 8.266 1.00 0.00 C ATOM 354 CG ARG A 25 -7.627 -9.976 8.903 1.00 0.00 C ATOM 355 CD ARG A 25 -6.520 -10.830 9.499 1.00 0.00 C ATOM 356 NE ARG A 25 -7.034 -12.160 9.807 1.00 0.00 N ATOM 357 CZ ARG A 25 -6.352 -13.205 10.266 1.00 0.00 C ATOM 358 NH1 ARG A 25 -5.059 -13.120 10.549 1.00 0.00 N ATOM 359 NH2 ARG A 25 -7.003 -14.348 10.405 1.00 0.00 N ATOM 0 H ARG A 25 -8.566 -7.203 9.482 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.560 -7.179 6.843 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.266 -9.001 7.553 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.550 -8.120 9.041 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -8.342 -9.702 9.679 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -8.174 -10.548 8.154 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.688 -10.905 8.798 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.133 -10.361 10.404 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.032 -12.305 9.652 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.565 -12.238 10.416 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.559 -13.937 10.900 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.992 -14.404 10.163 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.516 -15.173 10.754 1.00 0.00 H new ATOM 373 N ALA A 26 -10.218 -8.978 7.280 1.00 0.00 N ATOM 374 CA ALA A 26 -11.172 -9.826 6.602 1.00 0.00 C ATOM 375 C ALA A 26 -11.737 -9.101 5.380 1.00 0.00 C ATOM 376 O ALA A 26 -11.888 -9.726 4.328 1.00 0.00 O ATOM 377 CB ALA A 26 -12.261 -10.254 7.586 1.00 0.00 C ATOM 0 H ALA A 26 -10.529 -8.635 8.189 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.684 -10.730 6.239 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.981 -10.894 7.076 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.809 -10.803 8.412 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.770 -9.371 7.972 1.00 0.00 H new ATOM 383 N GLU A 27 -12.038 -7.804 5.521 1.00 0.00 N ATOM 384 CA GLU A 27 -12.724 -7.016 4.501 1.00 0.00 C ATOM 385 C GLU A 27 -11.843 -6.886 3.273 1.00 0.00 C ATOM 386 O GLU A 27 -12.348 -6.964 2.166 1.00 0.00 O ATOM 387 CB GLU A 27 -13.094 -5.635 5.056 1.00 0.00 C ATOM 388 CG GLU A 27 -14.376 -5.681 5.891 1.00 0.00 C ATOM 389 CD GLU A 27 -15.685 -5.965 5.144 1.00 0.00 C ATOM 390 OE1 GLU A 27 -16.299 -5.036 4.568 1.00 0.00 O ATOM 391 OE2 GLU A 27 -16.204 -7.098 5.284 1.00 0.00 O ATOM 0 H GLU A 27 -11.807 -7.270 6.359 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.645 -7.524 4.215 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.275 -5.258 5.669 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.223 -4.935 4.231 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -14.252 -6.444 6.659 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.480 -4.725 6.405 1.00 0.00 H new ATOM 398 N VAL A 28 -10.525 -6.797 3.465 1.00 0.00 N ATOM 399 CA VAL A 28 -9.524 -6.732 2.413 1.00 0.00 C ATOM 400 C VAL A 28 -9.910 -7.617 1.222 1.00 0.00 C ATOM 401 O VAL A 28 -10.035 -7.102 0.120 1.00 0.00 O ATOM 402 CB VAL A 28 -8.152 -7.088 3.004 1.00 0.00 C ATOM 403 CG1 VAL A 28 -7.075 -7.150 1.931 1.00 0.00 C ATOM 404 CG2 VAL A 28 -7.703 -6.080 4.074 1.00 0.00 C ATOM 0 H VAL A 28 -10.115 -6.767 4.399 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.468 -5.717 2.019 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.276 -8.070 3.461 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.119 -7.405 2.389 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.338 -7.909 1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.995 -6.180 1.439 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.728 -6.373 4.463 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.634 -5.086 3.631 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.429 -6.065 4.887 1.00 0.00 H new ATOM 414 N ALA A 29 -10.069 -8.931 1.409 1.00 0.00 N ATOM 415 CA ALA A 29 -10.237 -9.843 0.275 1.00 0.00 C ATOM 416 C ALA A 29 -11.559 -9.653 -0.485 1.00 0.00 C ATOM 417 O ALA A 29 -11.696 -10.174 -1.587 1.00 0.00 O ATOM 418 CB ALA A 29 -10.152 -11.296 0.721 1.00 0.00 C ATOM 0 H ALA A 29 -10.085 -9.382 2.324 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.420 -9.596 -0.403 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.280 -11.950 -0.142 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.178 -11.481 1.175 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.936 -11.499 1.450 1.00 0.00 H new ATOM 424 N GLU A 30 -12.544 -8.969 0.100 1.00 0.00 N ATOM 425 CA GLU A 30 -13.768 -8.596 -0.604 1.00 0.00 C ATOM 426 C GLU A 30 -13.532 -7.401 -1.533 1.00 0.00 C ATOM 427 O GLU A 30 -14.278 -7.211 -2.489 1.00 0.00 O ATOM 428 CB GLU A 30 -14.923 -8.362 0.393 1.00 0.00 C ATOM 429 CG GLU A 30 -15.087 -6.951 1.002 1.00 0.00 C ATOM 430 CD GLU A 30 -16.337 -6.188 0.561 1.00 0.00 C ATOM 431 OE1 GLU A 30 -17.450 -6.756 0.543 1.00 0.00 O ATOM 432 OE2 GLU A 30 -16.240 -4.952 0.365 1.00 0.00 O ATOM 0 H GLU A 30 -12.514 -8.660 1.072 1.00 0.00 H new ATOM 0 HA GLU A 30 -14.067 -9.426 -1.244 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.855 -8.617 -0.111 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.801 -9.067 1.215 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.102 -7.042 2.088 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -14.210 -6.358 0.744 1.00 0.00 H new ATOM 439 N LEU A 31 -12.503 -6.596 -1.264 1.00 0.00 N ATOM 440 CA LEU A 31 -12.192 -5.397 -2.025 1.00 0.00 C ATOM 441 C LEU A 31 -11.328 -5.755 -3.226 1.00 0.00 C ATOM 442 O LEU A 31 -11.565 -5.250 -4.324 1.00 0.00 O ATOM 443 CB LEU A 31 -11.436 -4.385 -1.150 1.00 0.00 C ATOM 444 CG LEU A 31 -12.219 -3.890 0.080 1.00 0.00 C ATOM 445 CD1 LEU A 31 -11.275 -3.033 0.913 1.00 0.00 C ATOM 446 CD2 LEU A 31 -13.392 -2.996 -0.307 1.00 0.00 C ATOM 0 H LEU A 31 -11.854 -6.767 -0.496 1.00 0.00 H new ATOM 0 HA LEU A 31 -13.129 -4.952 -2.362 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.505 -4.841 -0.812 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -11.166 -3.525 -1.763 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.597 -4.762 0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.800 -2.665 1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.419 -3.632 1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.930 -2.188 0.317 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -13.914 -2.671 0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -13.022 -2.124 -0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -14.079 -3.553 -0.944 1.00 0.00 H new ATOM 458 N LEU A 32 -10.286 -6.555 -2.995 1.00 0.00 N ATOM 459 CA LEU A 32 -9.309 -6.951 -4.011 1.00 0.00 C ATOM 460 C LEU A 32 -9.894 -8.067 -4.859 1.00 0.00 C ATOM 461 O LEU A 32 -10.523 -8.967 -4.304 1.00 0.00 O ATOM 462 CB LEU A 32 -8.010 -7.483 -3.366 1.00 0.00 C ATOM 463 CG LEU A 32 -7.565 -6.782 -2.088 1.00 0.00 C ATOM 464 CD1 LEU A 32 -6.320 -7.413 -1.482 1.00 0.00 C ATOM 465 CD2 LEU A 32 -7.412 -5.280 -2.264 1.00 0.00 C ATOM 0 H LEU A 32 -10.093 -6.954 -2.076 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.079 -6.072 -4.613 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.143 -8.543 -3.148 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.206 -7.406 -4.098 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.373 -6.928 -1.371 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.045 -6.876 -0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.522 -8.456 -1.240 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.500 -7.359 -2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.093 -4.834 -1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.665 -5.078 -3.032 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.367 -4.850 -2.565 1.00 0.00 H new ATOM 477 N VAL A 33 -9.601 -8.100 -6.157 1.00 0.00 N ATOM 478 CA VAL A 33 -10.173 -9.113 -7.046 1.00 0.00 C ATOM 479 C VAL A 33 -9.142 -9.732 -7.988 1.00 0.00 C ATOM 480 O VAL A 33 -9.366 -10.835 -8.494 1.00 0.00 O ATOM 481 CB VAL A 33 -11.354 -8.454 -7.810 1.00 0.00 C ATOM 482 CG1 VAL A 33 -12.060 -9.386 -8.801 1.00 0.00 C ATOM 483 CG2 VAL A 33 -12.423 -7.863 -6.874 1.00 0.00 C ATOM 0 H VAL A 33 -8.973 -7.440 -6.617 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.534 -9.954 -6.453 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.867 -7.655 -8.369 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -12.871 -8.848 -9.292 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.346 -9.728 -9.550 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.465 -10.245 -8.267 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -13.221 -7.418 -7.468 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -12.835 -8.654 -6.248 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.971 -7.098 -6.242 1.00 0.00 H new ATOM 493 N HIS A 34 -8.001 -9.085 -8.210 1.00 0.00 N ATOM 494 CA HIS A 34 -6.984 -9.586 -9.124 1.00 0.00 C ATOM 495 C HIS A 34 -5.629 -9.475 -8.436 1.00 0.00 C ATOM 496 O HIS A 34 -5.460 -8.633 -7.544 1.00 0.00 O ATOM 497 CB HIS A 34 -7.049 -8.819 -10.456 1.00 0.00 C ATOM 498 CG HIS A 34 -8.434 -8.378 -10.890 1.00 0.00 C ATOM 499 ND1 HIS A 34 -9.308 -9.095 -11.675 1.00 0.00 N ATOM 500 CD2 HIS A 34 -9.079 -7.230 -10.504 1.00 0.00 C ATOM 501 CE1 HIS A 34 -10.435 -8.372 -11.786 1.00 0.00 C ATOM 502 NE2 HIS A 34 -10.341 -7.224 -11.102 1.00 0.00 N ATOM 0 H HIS A 34 -7.758 -8.202 -7.762 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.154 -10.635 -9.368 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.414 -7.937 -10.378 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.626 -9.449 -11.239 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -8.681 -6.466 -9.853 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -11.303 -8.676 -12.352 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -11.049 -6.493 -11.032 1.00 0.00 H new ATOM 510 N SER A 35 -4.659 -10.307 -8.830 1.00 0.00 N ATOM 511 CA SER A 35 -3.328 -10.233 -8.256 1.00 0.00 C ATOM 512 C SER A 35 -2.786 -8.834 -8.530 1.00 0.00 C ATOM 513 O SER A 35 -2.727 -8.425 -9.694 1.00 0.00 O ATOM 514 CB SER A 35 -2.409 -11.352 -8.772 1.00 0.00 C ATOM 515 OG SER A 35 -2.441 -11.506 -10.180 1.00 0.00 O ATOM 0 H SER A 35 -4.777 -11.031 -9.539 1.00 0.00 H new ATOM 0 HA SER A 35 -3.371 -10.397 -7.179 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.386 -11.143 -8.461 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.699 -12.293 -8.305 1.00 0.00 H new ATOM 0 HG SER A 35 -1.836 -12.230 -10.444 1.00 0.00 H new ATOM 521 N GLY A 36 -2.454 -8.076 -7.485 1.00 0.00 N ATOM 522 CA GLY A 36 -1.948 -6.720 -7.642 1.00 0.00 C ATOM 523 C GLY A 36 -2.722 -5.653 -6.909 1.00 0.00 C ATOM 524 O GLY A 36 -2.142 -4.599 -6.655 1.00 0.00 O ATOM 0 H GLY A 36 -2.529 -8.384 -6.516 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.913 -6.694 -7.300 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.939 -6.474 -8.704 1.00 0.00 H new ATOM 528 N ASP A 37 -3.998 -5.910 -6.629 1.00 0.00 N ATOM 529 CA ASP A 37 -4.908 -5.006 -5.934 1.00 0.00 C ATOM 530 C ASP A 37 -4.397 -4.824 -4.512 1.00 0.00 C ATOM 531 O ASP A 37 -4.368 -5.796 -3.754 1.00 0.00 O ATOM 532 CB ASP A 37 -6.341 -5.576 -5.900 1.00 0.00 C ATOM 533 CG ASP A 37 -7.272 -5.108 -7.017 1.00 0.00 C ATOM 534 OD1 ASP A 37 -6.911 -4.179 -7.776 1.00 0.00 O ATOM 535 OD2 ASP A 37 -8.390 -5.656 -7.119 1.00 0.00 O ATOM 0 H ASP A 37 -4.443 -6.790 -6.891 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.942 -4.052 -6.460 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.280 -6.664 -5.936 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.793 -5.314 -4.943 1.00 0.00 H new ATOM 540 N PHE A 38 -4.013 -3.604 -4.140 1.00 0.00 N ATOM 541 CA PHE A 38 -3.509 -3.231 -2.820 1.00 0.00 C ATOM 542 C PHE A 38 -4.338 -2.094 -2.207 1.00 0.00 C ATOM 543 O PHE A 38 -5.003 -1.340 -2.921 1.00 0.00 O ATOM 544 CB PHE A 38 -1.998 -2.897 -2.885 1.00 0.00 C ATOM 545 CG PHE A 38 -1.598 -1.694 -3.715 1.00 0.00 C ATOM 546 CD1 PHE A 38 -1.775 -0.393 -3.213 1.00 0.00 C ATOM 547 CD2 PHE A 38 -0.987 -1.880 -4.971 1.00 0.00 C ATOM 548 CE1 PHE A 38 -1.373 0.716 -3.974 1.00 0.00 C ATOM 549 CE2 PHE A 38 -0.641 -0.770 -5.756 1.00 0.00 C ATOM 550 CZ PHE A 38 -0.833 0.528 -5.255 1.00 0.00 C ATOM 0 H PHE A 38 -4.047 -2.812 -4.781 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.620 -4.087 -2.154 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.641 -2.741 -1.867 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.474 -3.769 -3.277 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.221 -0.246 -2.240 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.785 -2.878 -5.330 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.479 1.713 -3.574 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.228 -0.913 -6.744 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.564 1.383 -5.857 1.00 0.00 H new ATOM 560 N LEU A 39 -4.309 -1.979 -0.871 1.00 0.00 N ATOM 561 CA LEU A 39 -4.843 -0.861 -0.085 1.00 0.00 C ATOM 562 C LEU A 39 -3.974 -0.661 1.154 1.00 0.00 C ATOM 563 O LEU A 39 -3.254 -1.582 1.559 1.00 0.00 O ATOM 564 CB LEU A 39 -6.321 -1.074 0.299 1.00 0.00 C ATOM 565 CG LEU A 39 -6.602 -2.146 1.377 1.00 0.00 C ATOM 566 CD1 LEU A 39 -6.793 -1.575 2.768 1.00 0.00 C ATOM 567 CD2 LEU A 39 -7.872 -2.910 1.017 1.00 0.00 C ATOM 0 H LEU A 39 -3.892 -2.700 -0.282 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.813 0.039 -0.699 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.724 -0.123 0.649 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.873 -1.342 -0.602 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.723 -2.790 1.395 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.986 -2.386 3.471 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.892 -1.041 3.069 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.639 -0.887 2.766 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.070 -3.666 1.777 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.712 -2.217 0.967 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.743 -3.394 0.049 1.00 0.00 H new ATOM 579 N VAL A 40 -4.087 0.499 1.796 1.00 0.00 N ATOM 580 CA VAL A 40 -3.475 0.813 3.080 1.00 0.00 C ATOM 581 C VAL A 40 -4.602 0.936 4.092 1.00 0.00 C ATOM 582 O VAL A 40 -5.630 1.568 3.830 1.00 0.00 O ATOM 583 CB VAL A 40 -2.599 2.077 3.008 1.00 0.00 C ATOM 584 CG1 VAL A 40 -1.941 2.409 4.354 1.00 0.00 C ATOM 585 CG2 VAL A 40 -1.480 1.854 1.990 1.00 0.00 C ATOM 0 H VAL A 40 -4.630 1.276 1.419 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.791 0.021 3.383 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.250 2.903 2.724 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.334 3.308 4.250 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.713 2.577 5.105 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.308 1.578 4.664 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.856 2.746 1.934 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.872 1.004 2.299 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.914 1.653 1.011 1.00 0.00 H new ATOM 595 N ARG A 41 -4.420 0.260 5.222 1.00 0.00 N ATOM 596 CA ARG A 41 -5.369 0.193 6.318 1.00 0.00 C ATOM 597 C ARG A 41 -4.608 0.466 7.611 1.00 0.00 C ATOM 598 O ARG A 41 -3.382 0.399 7.608 1.00 0.00 O ATOM 599 CB ARG A 41 -6.038 -1.189 6.341 1.00 0.00 C ATOM 600 CG ARG A 41 -5.148 -2.362 6.784 1.00 0.00 C ATOM 601 CD ARG A 41 -5.858 -3.645 6.316 1.00 0.00 C ATOM 602 NE ARG A 41 -5.228 -4.865 6.832 1.00 0.00 N ATOM 603 CZ ARG A 41 -5.461 -5.409 8.033 1.00 0.00 C ATOM 604 NH1 ARG A 41 -6.428 -4.953 8.828 1.00 0.00 N ATOM 605 NH2 ARG A 41 -4.696 -6.425 8.432 1.00 0.00 N ATOM 0 H ARG A 41 -3.571 -0.276 5.402 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.158 0.935 6.200 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.900 -1.142 7.006 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -6.417 -1.404 5.342 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.155 -2.284 6.342 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.017 -2.363 7.866 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.899 -3.616 6.637 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.861 -3.676 5.226 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.557 -5.338 6.226 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.011 -4.172 8.526 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.586 -5.385 9.739 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.952 -6.772 7.826 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.854 -6.856 9.343 1.00 0.00 H new ATOM 619 N GLU A 42 -5.284 0.648 8.734 1.00 0.00 N ATOM 620 CA GLU A 42 -4.669 0.878 10.039 1.00 0.00 C ATOM 621 C GLU A 42 -4.701 -0.421 10.854 1.00 0.00 C ATOM 622 O GLU A 42 -5.427 -1.356 10.510 1.00 0.00 O ATOM 623 CB GLU A 42 -5.335 2.108 10.681 1.00 0.00 C ATOM 624 CG GLU A 42 -4.681 2.556 12.002 1.00 0.00 C ATOM 625 CD GLU A 42 -5.573 2.329 13.224 1.00 0.00 C ATOM 626 OE1 GLU A 42 -5.896 1.166 13.563 1.00 0.00 O ATOM 627 OE2 GLU A 42 -5.995 3.336 13.834 1.00 0.00 O ATOM 0 H GLU A 42 -6.303 0.640 8.768 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.610 1.126 9.972 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.304 2.936 9.973 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.386 1.885 10.865 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.745 2.015 12.138 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.430 3.615 11.935 1.00 0.00 H new ATOM 634 N SER A 43 -3.827 -0.513 11.859 1.00 0.00 N ATOM 635 CA SER A 43 -3.527 -1.661 12.704 1.00 0.00 C ATOM 636 C SER A 43 -4.718 -2.106 13.532 1.00 0.00 C ATOM 637 O SER A 43 -5.541 -2.878 13.027 1.00 0.00 O ATOM 638 CB SER A 43 -2.222 -1.345 13.454 1.00 0.00 C ATOM 639 OG SER A 43 -1.821 -2.371 14.339 1.00 0.00 O ATOM 0 H SER A 43 -3.260 0.293 12.123 1.00 0.00 H new ATOM 0 HA SER A 43 -3.344 -2.563 12.120 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.428 -1.170 12.728 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.349 -0.420 14.016 1.00 0.00 H new ATOM 0 HG SER A 43 -0.987 -2.112 14.783 1.00 0.00 H new ATOM 645 N GLN A 44 -4.796 -1.686 14.791 1.00 0.00 N ATOM 646 CA GLN A 44 -6.064 -1.658 15.469 1.00 0.00 C ATOM 647 C GLN A 44 -5.982 -0.654 16.620 1.00 0.00 C ATOM 648 O GLN A 44 -5.739 -1.038 17.765 1.00 0.00 O ATOM 649 CB GLN A 44 -6.501 -3.058 15.952 1.00 0.00 C ATOM 650 CG GLN A 44 -8.014 -2.999 16.168 1.00 0.00 C ATOM 651 CD GLN A 44 -8.574 -4.251 16.831 1.00 0.00 C ATOM 652 OE1 GLN A 44 -8.052 -4.739 17.833 1.00 0.00 O ATOM 653 NE2 GLN A 44 -9.656 -4.801 16.315 1.00 0.00 N ATOM 0 H GLN A 44 -4.002 -1.367 15.346 1.00 0.00 H new ATOM 0 HA GLN A 44 -6.835 -1.339 14.767 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.245 -3.819 15.214 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -5.989 -3.325 16.876 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -8.253 -2.132 16.783 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -8.507 -2.853 15.207 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -10.088 -4.396 15.485 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.061 -5.632 16.746 1.00 0.00 H new ATOM 662 N GLY A 45 -6.110 0.639 16.332 1.00 0.00 N ATOM 663 CA GLY A 45 -5.949 1.687 17.331 1.00 0.00 C ATOM 664 C GLY A 45 -4.501 1.785 17.812 1.00 0.00 C ATOM 665 O GLY A 45 -4.233 2.311 18.892 1.00 0.00 O ATOM 0 H GLY A 45 -6.328 0.988 15.399 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.259 2.643 16.910 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -6.603 1.486 18.180 1.00 0.00 H new ATOM 669 N LYS A 46 -3.552 1.236 17.051 1.00 0.00 N ATOM 670 CA LYS A 46 -2.147 1.605 17.098 1.00 0.00 C ATOM 671 C LYS A 46 -1.995 2.623 15.986 1.00 0.00 C ATOM 672 O LYS A 46 -2.680 2.497 14.967 1.00 0.00 O ATOM 673 CB LYS A 46 -1.219 0.406 16.821 1.00 0.00 C ATOM 674 CG LYS A 46 -1.143 -0.620 17.954 1.00 0.00 C ATOM 675 CD LYS A 46 -2.405 -1.481 18.125 1.00 0.00 C ATOM 676 CE LYS A 46 -2.289 -2.548 19.217 1.00 0.00 C ATOM 677 NZ LYS A 46 -2.022 -1.953 20.541 1.00 0.00 N ATOM 0 H LYS A 46 -3.751 0.504 16.369 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.872 1.980 18.084 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.559 -0.097 15.916 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.215 0.780 16.620 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.292 -1.278 17.774 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.948 -0.095 18.889 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.248 -0.830 18.356 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.630 -1.969 17.177 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.212 -3.127 19.258 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.488 -3.242 18.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.034 -2.699 21.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.089 -1.493 20.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.754 -1.247 20.758 1.00 0.00 H new ATOM 691 N GLN A 47 -1.088 3.579 16.140 1.00 0.00 N ATOM 692 CA GLN A 47 -0.811 4.576 15.121 1.00 0.00 C ATOM 693 C GLN A 47 0.075 3.967 14.021 1.00 0.00 C ATOM 694 O GLN A 47 1.096 4.555 13.664 1.00 0.00 O ATOM 695 CB GLN A 47 -0.181 5.823 15.768 1.00 0.00 C ATOM 696 CG GLN A 47 -1.006 6.440 16.913 1.00 0.00 C ATOM 697 CD GLN A 47 -0.392 7.742 17.424 1.00 0.00 C ATOM 698 OE1 GLN A 47 0.510 8.315 16.812 1.00 0.00 O ATOM 699 NE2 GLN A 47 -0.845 8.257 18.549 1.00 0.00 N ATOM 0 H GLN A 47 -0.522 3.683 16.982 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.739 4.894 14.646 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.805 5.558 16.150 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.032 6.579 14.997 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.022 6.630 16.566 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.077 5.726 17.734 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.592 7.787 19.061 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.449 9.125 18.908 1.00 0.00 H new ATOM 708 N GLU A 48 -0.269 2.777 13.518 1.00 0.00 N ATOM 709 CA GLU A 48 0.502 2.051 12.520 1.00 0.00 C ATOM 710 C GLU A 48 -0.401 1.588 11.376 1.00 0.00 C ATOM 711 O GLU A 48 -1.553 1.216 11.611 1.00 0.00 O ATOM 712 CB GLU A 48 1.213 0.864 13.189 1.00 0.00 C ATOM 713 CG GLU A 48 2.055 0.054 12.194 1.00 0.00 C ATOM 714 CD GLU A 48 3.168 0.926 11.585 1.00 0.00 C ATOM 715 OE1 GLU A 48 2.886 1.717 10.655 1.00 0.00 O ATOM 716 OE2 GLU A 48 4.297 0.911 12.129 1.00 0.00 O ATOM 0 H GLU A 48 -1.115 2.285 13.805 1.00 0.00 H new ATOM 0 HA GLU A 48 1.256 2.712 12.092 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.855 1.232 13.990 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.471 0.212 13.650 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.495 -0.806 12.699 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.416 -0.334 11.401 1.00 0.00 H new ATOM 723 N TYR A 49 0.117 1.583 10.148 1.00 0.00 N ATOM 724 CA TYR A 49 -0.591 1.143 8.959 1.00 0.00 C ATOM 725 C TYR A 49 -0.128 -0.244 8.497 1.00 0.00 C ATOM 726 O TYR A 49 0.959 -0.725 8.814 1.00 0.00 O ATOM 727 CB TYR A 49 -0.417 2.175 7.838 1.00 0.00 C ATOM 728 CG TYR A 49 -1.051 3.537 8.057 1.00 0.00 C ATOM 729 CD1 TYR A 49 -2.404 3.641 8.428 1.00 0.00 C ATOM 730 CD2 TYR A 49 -0.301 4.707 7.827 1.00 0.00 C ATOM 731 CE1 TYR A 49 -3.000 4.902 8.593 1.00 0.00 C ATOM 732 CE2 TYR A 49 -0.898 5.972 7.969 1.00 0.00 C ATOM 733 CZ TYR A 49 -2.256 6.076 8.343 1.00 0.00 C ATOM 734 OH TYR A 49 -2.849 7.297 8.439 1.00 0.00 O ATOM 0 H TYR A 49 1.068 1.895 9.954 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.649 1.059 9.209 1.00 0.00 H new ATOM 0 HB2 TYR A 49 0.651 2.320 7.672 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.827 1.753 6.921 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.988 2.746 8.587 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.738 4.632 7.540 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.029 4.974 8.912 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -0.317 6.865 7.792 1.00 0.00 H new ATOM 0 HH TYR A 49 -3.795 7.221 8.195 1.00 0.00 H new ATOM 744 N VAL A 50 -0.960 -0.889 7.687 1.00 0.00 N ATOM 745 CA VAL A 50 -0.746 -2.181 7.063 1.00 0.00 C ATOM 746 C VAL A 50 -1.019 -2.004 5.582 1.00 0.00 C ATOM 747 O VAL A 50 -2.030 -1.420 5.185 1.00 0.00 O ATOM 748 CB VAL A 50 -1.674 -3.230 7.702 1.00 0.00 C ATOM 749 CG1 VAL A 50 -1.756 -4.555 6.929 1.00 0.00 C ATOM 750 CG2 VAL A 50 -1.198 -3.557 9.109 1.00 0.00 C ATOM 0 H VAL A 50 -1.864 -0.491 7.434 1.00 0.00 H new ATOM 0 HA VAL A 50 0.274 -2.538 7.207 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.664 -2.775 7.694 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.430 -5.237 7.447 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.132 -4.367 5.923 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.764 -5.002 6.867 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.860 -4.300 9.554 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.184 -3.954 9.067 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.208 -2.652 9.716 1.00 0.00 H new ATOM 760 N LEU A 51 -0.120 -2.536 4.770 1.00 0.00 N ATOM 761 CA LEU A 51 -0.300 -2.792 3.366 1.00 0.00 C ATOM 762 C LEU A 51 -0.930 -4.161 3.230 1.00 0.00 C ATOM 763 O LEU A 51 -0.443 -5.143 3.793 1.00 0.00 O ATOM 764 CB LEU A 51 1.082 -2.801 2.706 1.00 0.00 C ATOM 765 CG LEU A 51 1.090 -2.905 1.176 1.00 0.00 C ATOM 766 CD1 LEU A 51 0.112 -1.926 0.523 1.00 0.00 C ATOM 767 CD2 LEU A 51 2.512 -2.570 0.726 1.00 0.00 C ATOM 0 H LEU A 51 0.804 -2.813 5.100 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.930 -2.037 2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.606 -1.889 2.992 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.652 -3.637 3.111 1.00 0.00 H new ATOM 0 HG LEU A 51 0.781 -3.907 0.877 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.154 -2.038 -0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.900 -2.136 0.870 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.384 -0.906 0.793 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.573 -2.630 -0.361 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.768 -1.561 1.049 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.210 -3.280 1.168 1.00 0.00 H new ATOM 779 N SER A 52 -2.005 -4.239 2.470 1.00 0.00 N ATOM 780 CA SER A 52 -2.571 -5.497 2.054 1.00 0.00 C ATOM 781 C SER A 52 -2.457 -5.489 0.529 1.00 0.00 C ATOM 782 O SER A 52 -2.596 -4.432 -0.087 1.00 0.00 O ATOM 783 CB SER A 52 -3.970 -5.682 2.665 1.00 0.00 C ATOM 784 OG SER A 52 -3.986 -5.362 4.053 1.00 0.00 O ATOM 0 H SER A 52 -2.510 -3.423 2.124 1.00 0.00 H new ATOM 0 HA SER A 52 -2.053 -6.384 2.418 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.684 -5.049 2.138 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.294 -6.713 2.526 1.00 0.00 H new ATOM 0 HG SER A 52 -4.018 -6.188 4.579 1.00 0.00 H new ATOM 790 N VAL A 53 -2.148 -6.634 -0.077 1.00 0.00 N ATOM 791 CA VAL A 53 -2.278 -6.887 -1.505 1.00 0.00 C ATOM 792 C VAL A 53 -2.694 -8.341 -1.728 1.00 0.00 C ATOM 793 O VAL A 53 -2.380 -9.201 -0.904 1.00 0.00 O ATOM 794 CB VAL A 53 -0.967 -6.522 -2.203 1.00 0.00 C ATOM 795 CG1 VAL A 53 0.241 -7.303 -1.672 1.00 0.00 C ATOM 796 CG2 VAL A 53 -1.082 -6.676 -3.727 1.00 0.00 C ATOM 0 H VAL A 53 -1.787 -7.439 0.435 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.058 -6.264 -1.943 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.789 -5.473 -1.969 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.138 -6.996 -2.210 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.368 -7.099 -0.609 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.077 -8.371 -1.819 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.133 -6.409 -4.192 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.327 -7.710 -3.971 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.867 -6.019 -4.101 1.00 0.00 H new ATOM 806 N LEU A 54 -3.461 -8.624 -2.779 1.00 0.00 N ATOM 807 CA LEU A 54 -3.891 -9.968 -3.159 1.00 0.00 C ATOM 808 C LEU A 54 -2.758 -10.497 -4.030 1.00 0.00 C ATOM 809 O LEU A 54 -2.552 -9.963 -5.118 1.00 0.00 O ATOM 810 CB LEU A 54 -5.232 -9.868 -3.929 1.00 0.00 C ATOM 811 CG LEU A 54 -6.134 -11.119 -4.058 1.00 0.00 C ATOM 812 CD1 LEU A 54 -6.566 -11.637 -2.691 1.00 0.00 C ATOM 813 CD2 LEU A 54 -7.344 -10.854 -4.951 1.00 0.00 C ATOM 0 H LEU A 54 -3.811 -7.902 -3.409 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.071 -10.633 -2.315 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.824 -9.087 -3.453 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.004 -9.525 -4.938 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.538 -11.896 -4.536 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.198 -12.516 -2.818 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.685 -11.905 -2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.125 -10.861 -2.168 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.952 -11.756 -5.016 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.939 -10.045 -4.527 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.006 -10.572 -5.948 1.00 0.00 H new ATOM 825 N TRP A 55 -1.995 -11.492 -3.580 1.00 0.00 N ATOM 826 CA TRP A 55 -1.021 -12.180 -4.420 1.00 0.00 C ATOM 827 C TRP A 55 -1.348 -13.662 -4.391 1.00 0.00 C ATOM 828 O TRP A 55 -1.621 -14.188 -3.316 1.00 0.00 O ATOM 829 CB TRP A 55 0.395 -11.904 -3.910 1.00 0.00 C ATOM 830 CG TRP A 55 1.441 -11.851 -4.976 1.00 0.00 C ATOM 831 CD1 TRP A 55 2.610 -12.529 -4.980 1.00 0.00 C ATOM 832 CD2 TRP A 55 1.476 -10.983 -6.148 1.00 0.00 C ATOM 833 NE1 TRP A 55 3.350 -12.169 -6.092 1.00 0.00 N ATOM 834 CE2 TRP A 55 2.728 -11.158 -6.805 1.00 0.00 C ATOM 835 CE3 TRP A 55 0.616 -9.984 -6.652 1.00 0.00 C ATOM 836 CZ2 TRP A 55 3.135 -10.321 -7.857 1.00 0.00 C ATOM 837 CZ3 TRP A 55 0.998 -9.181 -7.741 1.00 0.00 C ATOM 838 CH2 TRP A 55 2.261 -9.333 -8.331 1.00 0.00 C ATOM 0 H TRP A 55 -2.036 -11.842 -2.623 1.00 0.00 H new ATOM 0 HA TRP A 55 -1.068 -11.821 -5.448 1.00 0.00 H new ATOM 0 HB2 TRP A 55 0.395 -10.956 -3.372 1.00 0.00 H new ATOM 0 HB3 TRP A 55 0.666 -12.678 -3.192 1.00 0.00 H new ATOM 0 HD1 TRP A 55 2.919 -13.242 -4.230 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.240 -12.594 -6.353 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.351 -9.834 -6.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 4.114 -10.438 -8.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 0.313 -8.441 -8.127 1.00 0.00 H new ATOM 0 HH2 TRP A 55 2.559 -8.692 -9.147 1.00 0.00 H new ATOM 849 N ASP A 56 -1.352 -14.328 -5.546 1.00 0.00 N ATOM 850 CA ASP A 56 -1.695 -15.748 -5.669 1.00 0.00 C ATOM 851 C ASP A 56 -3.071 -16.034 -5.028 1.00 0.00 C ATOM 852 O ASP A 56 -3.263 -17.029 -4.319 1.00 0.00 O ATOM 853 CB ASP A 56 -0.555 -16.620 -5.099 1.00 0.00 C ATOM 854 CG ASP A 56 0.778 -16.575 -5.851 1.00 0.00 C ATOM 855 OD1 ASP A 56 0.907 -15.891 -6.892 1.00 0.00 O ATOM 856 OD2 ASP A 56 1.741 -17.193 -5.331 1.00 0.00 O ATOM 0 H ASP A 56 -1.114 -13.891 -6.436 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.794 -16.013 -6.722 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.376 -16.316 -4.068 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.897 -17.655 -5.072 1.00 0.00 H new ATOM 861 N GLY A 57 -4.030 -15.120 -5.220 1.00 0.00 N ATOM 862 CA GLY A 57 -5.390 -15.210 -4.691 1.00 0.00 C ATOM 863 C GLY A 57 -5.434 -15.159 -3.165 1.00 0.00 C ATOM 864 O GLY A 57 -6.415 -15.594 -2.561 1.00 0.00 O ATOM 0 H GLY A 57 -3.873 -14.272 -5.765 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.987 -14.393 -5.095 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.848 -16.138 -5.033 1.00 0.00 H new ATOM 868 N LEU A 58 -4.366 -14.679 -2.527 1.00 0.00 N ATOM 869 CA LEU A 58 -4.175 -14.698 -1.087 1.00 0.00 C ATOM 870 C LEU A 58 -3.830 -13.279 -0.639 1.00 0.00 C ATOM 871 O LEU A 58 -2.777 -12.760 -1.012 1.00 0.00 O ATOM 872 CB LEU A 58 -3.117 -15.738 -0.698 1.00 0.00 C ATOM 873 CG LEU A 58 -3.060 -16.015 0.818 1.00 0.00 C ATOM 874 CD1 LEU A 58 -2.349 -17.353 1.049 1.00 0.00 C ATOM 875 CD2 LEU A 58 -2.351 -14.897 1.596 1.00 0.00 C ATOM 0 H LEU A 58 -3.584 -14.251 -3.023 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.085 -15.004 -0.571 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.325 -16.671 -1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.139 -15.394 -1.034 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.083 -16.055 1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.302 -17.560 2.118 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.900 -18.149 0.549 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.338 -17.302 0.645 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.339 -15.143 2.658 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.327 -14.796 1.236 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.882 -13.957 1.448 1.00 0.00 H new ATOM 887 N PRO A 59 -4.705 -12.616 0.128 1.00 0.00 N ATOM 888 CA PRO A 59 -4.473 -11.281 0.639 1.00 0.00 C ATOM 889 C PRO A 59 -3.348 -11.306 1.677 1.00 0.00 C ATOM 890 O PRO A 59 -3.568 -11.581 2.856 1.00 0.00 O ATOM 891 CB PRO A 59 -5.816 -10.806 1.191 1.00 0.00 C ATOM 892 CG PRO A 59 -6.482 -12.099 1.605 1.00 0.00 C ATOM 893 CD PRO A 59 -5.975 -13.121 0.608 1.00 0.00 C ATOM 0 HA PRO A 59 -4.134 -10.582 -0.126 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.690 -10.127 2.035 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.398 -10.274 0.438 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.216 -12.374 2.626 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -7.568 -12.015 1.570 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.854 -14.097 1.078 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.680 -13.247 -0.214 1.00 0.00 H new ATOM 901 N ARG A 60 -2.111 -11.055 1.245 1.00 0.00 N ATOM 902 CA ARG A 60 -1.010 -10.900 2.186 1.00 0.00 C ATOM 903 C ARG A 60 -1.216 -9.586 2.933 1.00 0.00 C ATOM 904 O ARG A 60 -1.643 -8.602 2.329 1.00 0.00 O ATOM 905 CB ARG A 60 0.330 -10.853 1.454 1.00 0.00 C ATOM 906 CG ARG A 60 0.555 -11.957 0.401 1.00 0.00 C ATOM 907 CD ARG A 60 0.927 -13.272 1.100 1.00 0.00 C ATOM 908 NE ARG A 60 0.904 -14.426 0.185 1.00 0.00 N ATOM 909 CZ ARG A 60 1.003 -15.706 0.567 1.00 0.00 C ATOM 910 NH1 ARG A 60 1.178 -16.054 1.837 1.00 0.00 N ATOM 911 NH2 ARG A 60 0.933 -16.679 -0.322 1.00 0.00 N ATOM 0 H ARG A 60 -1.852 -10.957 0.263 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.995 -11.747 2.871 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.421 -9.884 0.963 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.129 -10.913 2.193 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.347 -12.094 -0.195 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.349 -11.662 -0.285 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.922 -13.179 1.536 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.234 -13.451 1.922 1.00 0.00 H new ATOM 0 HE ARG A 60 0.805 -14.237 -0.812 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.241 -15.336 2.559 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.249 -17.039 2.091 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.802 -16.459 -1.309 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.009 -17.651 -0.022 1.00 0.00 H new ATOM 925 N HIS A 61 -0.818 -9.532 4.200 1.00 0.00 N ATOM 926 CA HIS A 61 -0.893 -8.338 5.041 1.00 0.00 C ATOM 927 C HIS A 61 0.488 -8.060 5.627 1.00 0.00 C ATOM 928 O HIS A 61 0.947 -8.759 6.537 1.00 0.00 O ATOM 929 CB HIS A 61 -1.928 -8.493 6.160 1.00 0.00 C ATOM 930 CG HIS A 61 -3.289 -8.938 5.704 1.00 0.00 C ATOM 931 ND1 HIS A 61 -4.234 -8.191 5.032 1.00 0.00 N ATOM 932 CD2 HIS A 61 -3.789 -10.197 5.883 1.00 0.00 C ATOM 933 CE1 HIS A 61 -5.298 -8.993 4.840 1.00 0.00 C ATOM 934 NE2 HIS A 61 -5.086 -10.211 5.370 1.00 0.00 N ATOM 0 H HIS A 61 -0.424 -10.338 4.685 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.214 -7.498 4.425 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.551 -9.212 6.887 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.028 -7.539 6.678 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -3.274 -11.030 6.339 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -6.202 -8.698 4.328 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -5.743 -10.990 5.392 1.00 0.00 H new ATOM 942 N PHE A 62 1.174 -7.067 5.084 1.00 0.00 N ATOM 943 CA PHE A 62 2.489 -6.625 5.513 1.00 0.00 C ATOM 944 C PHE A 62 2.281 -5.319 6.278 1.00 0.00 C ATOM 945 O PHE A 62 1.647 -4.407 5.757 1.00 0.00 O ATOM 946 CB PHE A 62 3.373 -6.435 4.262 1.00 0.00 C ATOM 947 CG PHE A 62 3.393 -7.595 3.260 1.00 0.00 C ATOM 948 CD1 PHE A 62 4.036 -8.806 3.581 1.00 0.00 C ATOM 949 CD2 PHE A 62 2.777 -7.469 1.994 1.00 0.00 C ATOM 950 CE1 PHE A 62 4.052 -9.877 2.665 1.00 0.00 C ATOM 951 CE2 PHE A 62 2.809 -8.536 1.071 1.00 0.00 C ATOM 952 CZ PHE A 62 3.435 -9.748 1.408 1.00 0.00 C ATOM 0 H PHE A 62 0.813 -6.525 4.299 1.00 0.00 H new ATOM 0 HA PHE A 62 2.990 -7.345 6.160 1.00 0.00 H new ATOM 0 HB2 PHE A 62 3.039 -5.538 3.740 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.396 -6.250 4.591 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.522 -8.915 4.539 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.278 -6.548 1.731 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.541 -10.803 2.930 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.350 -8.420 0.100 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.442 -10.571 0.709 1.00 0.00 H new ATOM 962 N ILE A 63 2.746 -5.209 7.525 1.00 0.00 N ATOM 963 CA ILE A 63 2.791 -3.905 8.191 1.00 0.00 C ATOM 964 C ILE A 63 3.628 -2.975 7.306 1.00 0.00 C ATOM 965 O ILE A 63 4.654 -3.409 6.765 1.00 0.00 O ATOM 966 CB ILE A 63 3.298 -4.059 9.642 1.00 0.00 C ATOM 967 CG1 ILE A 63 2.164 -4.634 10.524 1.00 0.00 C ATOM 968 CG2 ILE A 63 3.869 -2.758 10.222 1.00 0.00 C ATOM 969 CD1 ILE A 63 1.209 -3.579 11.121 1.00 0.00 C ATOM 0 H ILE A 63 3.090 -5.989 8.084 1.00 0.00 H new ATOM 0 HA ILE A 63 1.803 -3.457 8.300 1.00 0.00 H new ATOM 0 HB ILE A 63 4.134 -4.758 9.632 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.580 -5.336 9.928 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.610 -5.202 11.340 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.208 -2.933 11.243 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.710 -2.426 9.613 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.096 -1.990 10.223 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.448 -4.076 11.723 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.775 -2.889 11.748 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.729 -3.025 10.314 1.00 0.00 H new ATOM 981 N ILE A 64 3.142 -1.745 7.104 1.00 0.00 N ATOM 982 CA ILE A 64 3.857 -0.719 6.368 1.00 0.00 C ATOM 983 C ILE A 64 5.218 -0.538 7.034 1.00 0.00 C ATOM 984 O ILE A 64 5.410 -0.762 8.228 1.00 0.00 O ATOM 985 CB ILE A 64 3.038 0.593 6.319 1.00 0.00 C ATOM 986 CG1 ILE A 64 1.733 0.458 5.518 1.00 0.00 C ATOM 987 CG2 ILE A 64 3.828 1.807 5.798 1.00 0.00 C ATOM 988 CD1 ILE A 64 1.917 0.483 4.010 1.00 0.00 C ATOM 0 H ILE A 64 2.233 -1.440 7.453 1.00 0.00 H new ATOM 0 HA ILE A 64 4.005 -1.014 5.329 1.00 0.00 H new ATOM 0 HB ILE A 64 2.794 0.779 7.365 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.245 -0.476 5.797 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.060 1.267 5.803 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.184 2.686 5.795 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.686 1.988 6.446 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.175 1.607 4.784 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.947 0.382 3.523 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.375 1.427 3.715 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.562 -0.343 3.708 1.00 0.00 H new ATOM 1000 N GLN A 65 6.181 -0.176 6.206 1.00 0.00 N ATOM 1001 CA GLN A 65 7.565 0.028 6.567 1.00 0.00 C ATOM 1002 C GLN A 65 7.682 1.161 7.580 1.00 0.00 C ATOM 1003 O GLN A 65 6.774 1.969 7.716 1.00 0.00 O ATOM 1004 CB GLN A 65 8.374 0.384 5.310 1.00 0.00 C ATOM 1005 CG GLN A 65 7.933 -0.391 4.051 1.00 0.00 C ATOM 1006 CD GLN A 65 6.758 0.216 3.280 1.00 0.00 C ATOM 1007 OE1 GLN A 65 5.629 -0.257 3.367 1.00 0.00 O ATOM 1008 NE2 GLN A 65 6.973 1.252 2.484 1.00 0.00 N ATOM 0 H GLN A 65 6.006 -0.009 5.215 1.00 0.00 H new ATOM 0 HA GLN A 65 7.955 -0.888 7.010 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.281 1.453 5.119 1.00 0.00 H new ATOM 0 HB3 GLN A 65 9.429 0.184 5.498 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.786 -0.469 3.377 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.666 -1.406 4.346 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.909 1.650 2.407 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.203 1.652 1.948 1.00 0.00 H new ATOM 1017 N SER A 66 8.844 1.295 8.197 1.00 0.00 N ATOM 1018 CA SER A 66 9.230 2.406 9.028 1.00 0.00 C ATOM 1019 C SER A 66 10.684 2.129 9.392 1.00 0.00 C ATOM 1020 O SER A 66 11.076 0.981 9.604 1.00 0.00 O ATOM 1021 CB SER A 66 8.345 2.450 10.276 1.00 0.00 C ATOM 1022 OG SER A 66 8.667 3.530 11.130 1.00 0.00 O ATOM 0 H SER A 66 9.577 0.590 8.123 1.00 0.00 H new ATOM 0 HA SER A 66 9.118 3.369 8.531 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.301 2.528 9.974 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.449 1.514 10.824 1.00 0.00 H new ATOM 0 HG SER A 66 8.075 3.517 11.911 1.00 0.00 H new ATOM 1028 N LEU A 67 11.478 3.184 9.477 1.00 0.00 N ATOM 1029 CA LEU A 67 12.841 3.147 9.994 1.00 0.00 C ATOM 1030 C LEU A 67 13.108 4.328 10.918 1.00 0.00 C ATOM 1031 O LEU A 67 13.577 4.122 12.037 1.00 0.00 O ATOM 1032 CB LEU A 67 13.885 3.069 8.867 1.00 0.00 C ATOM 1033 CG LEU A 67 13.606 3.919 7.610 1.00 0.00 C ATOM 1034 CD1 LEU A 67 14.914 4.098 6.838 1.00 0.00 C ATOM 1035 CD2 LEU A 67 12.571 3.268 6.679 1.00 0.00 C ATOM 0 H LEU A 67 11.187 4.116 9.181 1.00 0.00 H new ATOM 0 HA LEU A 67 12.939 2.233 10.580 1.00 0.00 H new ATOM 0 HB2 LEU A 67 14.850 3.370 9.275 1.00 0.00 H new ATOM 0 HB3 LEU A 67 13.979 2.027 8.560 1.00 0.00 H new ATOM 0 HG LEU A 67 13.201 4.876 7.940 1.00 0.00 H new ATOM 0 HD11 LEU A 67 14.731 4.698 5.946 1.00 0.00 H new ATOM 0 HD12 LEU A 67 15.644 4.603 7.471 1.00 0.00 H new ATOM 0 HD13 LEU A 67 15.301 3.122 6.546 1.00 0.00 H new ATOM 0 HD21 LEU A 67 12.411 3.906 5.810 1.00 0.00 H new ATOM 0 HD22 LEU A 67 12.937 2.295 6.352 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.630 3.141 7.214 1.00 0.00 H new ATOM 1047 N ASP A 68 12.841 5.553 10.464 1.00 0.00 N ATOM 1048 CA ASP A 68 13.092 6.790 11.203 1.00 0.00 C ATOM 1049 C ASP A 68 11.920 7.721 10.940 1.00 0.00 C ATOM 1050 O ASP A 68 11.018 7.859 11.759 1.00 0.00 O ATOM 1051 CB ASP A 68 14.411 7.448 10.754 1.00 0.00 C ATOM 1052 CG ASP A 68 15.637 6.849 11.430 1.00 0.00 C ATOM 1053 OD1 ASP A 68 15.648 6.710 12.670 1.00 0.00 O ATOM 1054 OD2 ASP A 68 16.613 6.499 10.723 1.00 0.00 O ATOM 0 H ASP A 68 12.432 5.716 9.544 1.00 0.00 H new ATOM 0 HA ASP A 68 13.187 6.577 12.268 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.512 7.345 9.674 1.00 0.00 H new ATOM 0 HB3 ASP A 68 14.370 8.516 10.970 1.00 0.00 H new ATOM 1059 N ASN A 69 11.908 8.326 9.755 1.00 0.00 N ATOM 1060 CA ASN A 69 10.808 9.103 9.213 1.00 0.00 C ATOM 1061 C ASN A 69 10.737 8.840 7.713 1.00 0.00 C ATOM 1062 O ASN A 69 10.676 9.751 6.888 1.00 0.00 O ATOM 1063 CB ASN A 69 11.009 10.581 9.546 1.00 0.00 C ATOM 1064 CG ASN A 69 9.820 11.396 9.059 1.00 0.00 C ATOM 1065 OD1 ASN A 69 8.678 11.098 9.383 1.00 0.00 O ATOM 1066 ND2 ASN A 69 10.037 12.393 8.222 1.00 0.00 N ATOM 0 H ASN A 69 12.705 8.283 9.120 1.00 0.00 H new ATOM 0 HA ASN A 69 9.856 8.810 9.656 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.128 10.706 10.622 1.00 0.00 H new ATOM 0 HB3 ASN A 69 11.924 10.945 9.079 1.00 0.00 H new ATOM 0 HD21 ASN A 69 9.251 12.920 7.842 1.00 0.00 H new ATOM 0 HD22 ASN A 69 10.991 12.637 7.956 1.00 0.00 H new ATOM 1073 N LEU A 70 10.928 7.579 7.343 1.00 0.00 N ATOM 1074 CA LEU A 70 10.885 7.108 5.971 1.00 0.00 C ATOM 1075 C LEU A 70 10.144 5.783 5.995 1.00 0.00 C ATOM 1076 O LEU A 70 9.795 5.272 7.063 1.00 0.00 O ATOM 1077 CB LEU A 70 12.287 6.912 5.350 1.00 0.00 C ATOM 1078 CG LEU A 70 13.295 8.063 5.523 1.00 0.00 C ATOM 1079 CD1 LEU A 70 14.721 7.520 5.515 1.00 0.00 C ATOM 1080 CD2 LEU A 70 13.122 9.109 4.424 1.00 0.00 C ATOM 0 H LEU A 70 11.123 6.836 8.014 1.00 0.00 H new ATOM 0 HA LEU A 70 10.389 7.855 5.352 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.725 6.011 5.779 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.162 6.728 4.283 1.00 0.00 H new ATOM 0 HG LEU A 70 13.104 8.543 6.483 1.00 0.00 H new ATOM 0 HD11 LEU A 70 15.425 8.343 5.638 1.00 0.00 H new ATOM 0 HD12 LEU A 70 14.845 6.811 6.334 1.00 0.00 H new ATOM 0 HD13 LEU A 70 14.913 7.017 4.567 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.845 9.912 4.568 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.284 8.645 3.451 1.00 0.00 H new ATOM 0 HD23 LEU A 70 12.113 9.518 4.467 1.00 0.00 H new ATOM 1092 N TYR A 71 9.979 5.186 4.826 1.00 0.00 N ATOM 1093 CA TYR A 71 9.303 3.916 4.654 1.00 0.00 C ATOM 1094 C TYR A 71 10.096 3.199 3.559 1.00 0.00 C ATOM 1095 O TYR A 71 10.196 3.762 2.475 1.00 0.00 O ATOM 1096 CB TYR A 71 7.846 4.210 4.226 1.00 0.00 C ATOM 1097 CG TYR A 71 7.148 5.271 5.062 1.00 0.00 C ATOM 1098 CD1 TYR A 71 6.508 4.906 6.253 1.00 0.00 C ATOM 1099 CD2 TYR A 71 7.217 6.632 4.701 1.00 0.00 C ATOM 1100 CE1 TYR A 71 5.923 5.875 7.083 1.00 0.00 C ATOM 1101 CE2 TYR A 71 6.664 7.618 5.537 1.00 0.00 C ATOM 1102 CZ TYR A 71 6.000 7.240 6.727 1.00 0.00 C ATOM 1103 OH TYR A 71 5.415 8.179 7.520 1.00 0.00 O ATOM 0 H TYR A 71 10.321 5.583 3.951 1.00 0.00 H new ATOM 0 HA TYR A 71 9.259 3.301 5.553 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.843 4.527 3.183 1.00 0.00 H new ATOM 0 HB3 TYR A 71 7.271 3.286 4.280 1.00 0.00 H new ATOM 0 HD1 TYR A 71 6.464 3.865 6.537 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.697 6.919 3.777 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.416 5.578 7.990 1.00 0.00 H new ATOM 0 HE2 TYR A 71 6.746 8.662 5.271 1.00 0.00 H new ATOM 0 HH TYR A 71 5.560 9.069 7.135 1.00 0.00 H new ATOM 1113 N ARG A 72 10.701 2.031 3.809 1.00 0.00 N ATOM 1114 CA ARG A 72 11.577 1.313 2.867 1.00 0.00 C ATOM 1115 C ARG A 72 11.157 -0.154 2.795 1.00 0.00 C ATOM 1116 O ARG A 72 11.027 -0.787 3.838 1.00 0.00 O ATOM 1117 CB ARG A 72 13.051 1.468 3.287 1.00 0.00 C ATOM 1118 CG ARG A 72 13.424 0.793 4.621 1.00 0.00 C ATOM 1119 CD ARG A 72 14.044 -0.594 4.459 1.00 0.00 C ATOM 1120 NE ARG A 72 15.505 -0.487 4.324 1.00 0.00 N ATOM 1121 CZ ARG A 72 16.331 -1.231 3.583 1.00 0.00 C ATOM 1122 NH1 ARG A 72 15.894 -2.285 2.910 1.00 0.00 N ATOM 1123 NH2 ARG A 72 17.614 -0.912 3.516 1.00 0.00 N ATOM 0 H ARG A 72 10.593 1.543 4.698 1.00 0.00 H new ATOM 0 HA ARG A 72 11.476 1.742 1.870 1.00 0.00 H new ATOM 0 HB2 ARG A 72 13.682 1.056 2.500 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.283 2.531 3.358 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.124 1.433 5.158 1.00 0.00 H new ATOM 0 HG3 ARG A 72 12.529 0.711 5.238 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.796 -1.214 5.321 1.00 0.00 H new ATOM 0 HD3 ARG A 72 13.626 -1.087 3.581 1.00 0.00 H new ATOM 0 HE ARG A 72 15.946 0.254 4.869 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.908 -2.543 2.951 1.00 0.00 H new ATOM 0 HH12 ARG A 72 16.543 -2.838 2.351 1.00 0.00 H new ATOM 0 HH21 ARG A 72 17.966 -0.103 4.028 1.00 0.00 H new ATOM 0 HH22 ARG A 72 18.251 -1.475 2.952 1.00 0.00 H new ATOM 1137 N LEU A 73 10.805 -0.657 1.611 1.00 0.00 N ATOM 1138 CA LEU A 73 10.223 -1.988 1.428 1.00 0.00 C ATOM 1139 C LEU A 73 11.169 -2.905 0.653 1.00 0.00 C ATOM 1140 O LEU A 73 11.335 -4.057 1.058 1.00 0.00 O ATOM 1141 CB LEU A 73 8.830 -1.889 0.772 1.00 0.00 C ATOM 1142 CG LEU A 73 7.920 -3.105 0.979 1.00 0.00 C ATOM 1143 CD1 LEU A 73 7.507 -3.398 2.423 1.00 0.00 C ATOM 1144 CD2 LEU A 73 6.640 -2.843 0.197 1.00 0.00 C ATOM 0 H LEU A 73 10.918 -0.143 0.737 1.00 0.00 H new ATOM 0 HA LEU A 73 10.085 -2.442 2.409 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.324 -1.007 1.164 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.961 -1.732 -0.299 1.00 0.00 H new ATOM 0 HG LEU A 73 8.497 -3.969 0.650 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.865 -4.279 2.446 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.396 -3.581 3.026 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.964 -2.543 2.827 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.961 -3.687 0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.163 -1.938 0.572 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.878 -2.716 -0.859 1.00 0.00 H new ATOM 1156 N GLU A 74 11.815 -2.419 -0.413 1.00 0.00 N ATOM 1157 CA GLU A 74 12.816 -3.168 -1.167 1.00 0.00 C ATOM 1158 C GLU A 74 14.146 -2.427 -1.117 1.00 0.00 C ATOM 1159 O GLU A 74 15.011 -2.805 -0.325 1.00 0.00 O ATOM 1160 CB GLU A 74 12.370 -3.465 -2.610 1.00 0.00 C ATOM 1161 CG GLU A 74 13.431 -4.211 -3.451 1.00 0.00 C ATOM 1162 CD GLU A 74 14.048 -5.460 -2.808 1.00 0.00 C ATOM 1163 OE1 GLU A 74 13.403 -6.119 -1.961 1.00 0.00 O ATOM 1164 OE2 GLU A 74 15.201 -5.808 -3.152 1.00 0.00 O ATOM 0 H GLU A 74 11.652 -1.481 -0.778 1.00 0.00 H new ATOM 0 HA GLU A 74 12.940 -4.144 -0.697 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.457 -4.060 -2.583 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.123 -2.526 -3.104 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.975 -4.502 -4.397 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.235 -3.513 -3.686 1.00 0.00 H new ATOM 1171 N GLY A 75 14.284 -1.388 -1.944 1.00 0.00 N ATOM 1172 CA GLY A 75 15.487 -0.605 -2.118 1.00 0.00 C ATOM 1173 C GLY A 75 15.558 0.497 -1.064 1.00 0.00 C ATOM 1174 O GLY A 75 15.663 0.203 0.128 1.00 0.00 O ATOM 0 H GLY A 75 13.518 -1.063 -2.534 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.363 -1.249 -2.040 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.502 -0.165 -3.115 1.00 0.00 H new ATOM 1178 N GLU A 76 15.490 1.767 -1.462 1.00 0.00 N ATOM 1179 CA GLU A 76 15.616 2.893 -0.532 1.00 0.00 C ATOM 1180 C GLU A 76 14.278 3.314 0.078 1.00 0.00 C ATOM 1181 O GLU A 76 13.216 2.879 -0.374 1.00 0.00 O ATOM 1182 CB GLU A 76 16.288 4.078 -1.226 1.00 0.00 C ATOM 1183 CG GLU A 76 15.399 4.737 -2.286 1.00 0.00 C ATOM 1184 CD GLU A 76 16.070 5.944 -2.931 1.00 0.00 C ATOM 1185 OE1 GLU A 76 16.829 6.678 -2.252 1.00 0.00 O ATOM 1186 OE2 GLU A 76 15.783 6.214 -4.117 1.00 0.00 O ATOM 0 H GLU A 76 15.347 2.045 -2.433 1.00 0.00 H new ATOM 0 HA GLU A 76 16.241 2.555 0.295 1.00 0.00 H new ATOM 0 HB2 GLU A 76 16.563 4.821 -0.478 1.00 0.00 H new ATOM 0 HB3 GLU A 76 17.212 3.740 -1.695 1.00 0.00 H new ATOM 0 HG2 GLU A 76 15.152 4.006 -3.056 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.460 5.047 -1.828 1.00 0.00 H new ATOM 1193 N GLY A 77 14.328 4.179 1.090 1.00 0.00 N ATOM 1194 CA GLY A 77 13.166 4.773 1.718 1.00 0.00 C ATOM 1195 C GLY A 77 12.789 6.103 1.074 1.00 0.00 C ATOM 1196 O GLY A 77 13.592 6.730 0.376 1.00 0.00 O ATOM 0 H GLY A 77 15.208 4.490 1.502 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.324 4.084 1.648 1.00 0.00 H new ATOM 0 HA3 GLY A 77 13.365 4.927 2.779 1.00 0.00 H new ATOM 1200 N PHE A 78 11.564 6.548 1.362 1.00 0.00 N ATOM 1201 CA PHE A 78 11.027 7.844 0.944 1.00 0.00 C ATOM 1202 C PHE A 78 10.348 8.515 2.137 1.00 0.00 C ATOM 1203 O PHE A 78 9.948 7.810 3.065 1.00 0.00 O ATOM 1204 CB PHE A 78 10.055 7.693 -0.245 1.00 0.00 C ATOM 1205 CG PHE A 78 10.787 7.682 -1.573 1.00 0.00 C ATOM 1206 CD1 PHE A 78 11.476 6.531 -2.000 1.00 0.00 C ATOM 1207 CD2 PHE A 78 10.883 8.869 -2.327 1.00 0.00 C ATOM 1208 CE1 PHE A 78 12.292 6.581 -3.141 1.00 0.00 C ATOM 1209 CE2 PHE A 78 11.694 8.915 -3.474 1.00 0.00 C ATOM 1210 CZ PHE A 78 12.418 7.777 -3.862 1.00 0.00 C ATOM 0 H PHE A 78 10.899 6.000 1.908 1.00 0.00 H new ATOM 0 HA PHE A 78 11.847 8.475 0.601 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.487 6.769 -0.135 1.00 0.00 H new ATOM 0 HB3 PHE A 78 9.336 8.512 -0.233 1.00 0.00 H new ATOM 0 HD1 PHE A 78 11.377 5.608 -1.449 1.00 0.00 H new ATOM 0 HD2 PHE A 78 10.331 9.746 -2.022 1.00 0.00 H new ATOM 0 HE1 PHE A 78 12.823 5.698 -3.464 1.00 0.00 H new ATOM 0 HE2 PHE A 78 11.760 9.823 -4.055 1.00 0.00 H new ATOM 0 HZ PHE A 78 13.074 7.823 -4.719 1.00 0.00 H new ATOM 1220 N PRO A 79 10.192 9.852 2.124 1.00 0.00 N ATOM 1221 CA PRO A 79 9.646 10.629 3.238 1.00 0.00 C ATOM 1222 C PRO A 79 8.151 10.413 3.467 1.00 0.00 C ATOM 1223 O PRO A 79 7.630 10.841 4.496 1.00 0.00 O ATOM 1224 CB PRO A 79 9.915 12.097 2.879 1.00 0.00 C ATOM 1225 CG PRO A 79 9.971 12.082 1.360 1.00 0.00 C ATOM 1226 CD PRO A 79 10.632 10.746 1.062 1.00 0.00 C ATOM 0 HA PRO A 79 10.120 10.316 4.168 1.00 0.00 H new ATOM 0 HB2 PRO A 79 9.125 12.752 3.246 1.00 0.00 H new ATOM 0 HB3 PRO A 79 10.850 12.452 3.312 1.00 0.00 H new ATOM 0 HG2 PRO A 79 8.977 12.149 0.918 1.00 0.00 H new ATOM 0 HG3 PRO A 79 10.552 12.917 0.968 1.00 0.00 H new ATOM 0 HD2 PRO A 79 10.334 10.370 0.083 1.00 0.00 H new ATOM 0 HD3 PRO A 79 11.718 10.839 1.051 1.00 0.00 H new ATOM 1234 N SER A 80 7.441 9.793 2.526 1.00 0.00 N ATOM 1235 CA SER A 80 5.994 9.640 2.546 1.00 0.00 C ATOM 1236 C SER A 80 5.709 8.205 2.119 1.00 0.00 C ATOM 1237 O SER A 80 6.504 7.611 1.384 1.00 0.00 O ATOM 1238 CB SER A 80 5.372 10.671 1.593 1.00 0.00 C ATOM 1239 OG SER A 80 6.070 11.915 1.593 1.00 0.00 O ATOM 0 H SER A 80 7.874 9.371 1.704 1.00 0.00 H new ATOM 0 HA SER A 80 5.561 9.818 3.530 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.363 10.265 0.582 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.334 10.842 1.877 1.00 0.00 H new ATOM 0 HG SER A 80 5.485 12.618 1.241 1.00 0.00 H new ATOM 1245 N ILE A 81 4.602 7.633 2.593 1.00 0.00 N ATOM 1246 CA ILE A 81 4.151 6.343 2.097 1.00 0.00 C ATOM 1247 C ILE A 81 3.788 6.513 0.621 1.00 0.00 C ATOM 1248 O ILE A 81 4.269 5.700 -0.162 1.00 0.00 O ATOM 1249 CB ILE A 81 3.024 5.733 2.968 1.00 0.00 C ATOM 1250 CG1 ILE A 81 3.588 5.436 4.378 1.00 0.00 C ATOM 1251 CG2 ILE A 81 2.490 4.435 2.332 1.00 0.00 C ATOM 1252 CD1 ILE A 81 2.534 5.273 5.473 1.00 0.00 C ATOM 0 H ILE A 81 4.008 8.043 3.314 1.00 0.00 H new ATOM 0 HA ILE A 81 4.950 5.605 2.172 1.00 0.00 H new ATOM 0 HB ILE A 81 2.199 6.442 3.038 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.185 4.525 4.330 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.263 6.244 4.661 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.699 4.022 2.958 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.092 4.653 1.341 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.301 3.711 2.246 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.026 5.068 6.424 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.951 6.190 5.557 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.872 4.445 5.221 1.00 0.00 H new ATOM 1264 N PRO A 82 3.008 7.538 0.201 1.00 0.00 N ATOM 1265 CA PRO A 82 2.543 7.610 -1.179 1.00 0.00 C ATOM 1266 C PRO A 82 3.692 7.738 -2.172 1.00 0.00 C ATOM 1267 O PRO A 82 3.638 7.177 -3.263 1.00 0.00 O ATOM 1268 CB PRO A 82 1.532 8.764 -1.246 1.00 0.00 C ATOM 1269 CG PRO A 82 1.795 9.590 0.007 1.00 0.00 C ATOM 1270 CD PRO A 82 2.372 8.589 0.990 1.00 0.00 C ATOM 0 HA PRO A 82 2.054 6.682 -1.476 1.00 0.00 H new ATOM 0 HB2 PRO A 82 1.672 9.360 -2.148 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.508 8.391 -1.266 1.00 0.00 H new ATOM 0 HG2 PRO A 82 2.493 10.404 -0.190 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.879 10.041 0.388 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.096 9.068 1.649 1.00 0.00 H new ATOM 0 HD3 PRO A 82 1.588 8.175 1.624 1.00 0.00 H new ATOM 1278 N LEU A 83 4.771 8.400 -1.766 1.00 0.00 N ATOM 1279 CA LEU A 83 5.947 8.588 -2.589 1.00 0.00 C ATOM 1280 C LEU A 83 6.656 7.262 -2.847 1.00 0.00 C ATOM 1281 O LEU A 83 7.160 7.025 -3.940 1.00 0.00 O ATOM 1282 CB LEU A 83 6.853 9.626 -1.920 1.00 0.00 C ATOM 1283 CG LEU A 83 6.472 11.069 -2.311 1.00 0.00 C ATOM 1284 CD1 LEU A 83 5.154 11.599 -1.748 1.00 0.00 C ATOM 1285 CD2 LEU A 83 7.623 11.979 -1.885 1.00 0.00 C ATOM 0 H LEU A 83 4.848 8.825 -0.842 1.00 0.00 H new ATOM 0 HA LEU A 83 5.661 8.965 -3.571 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.791 9.516 -0.837 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.889 9.437 -2.201 1.00 0.00 H new ATOM 0 HG LEU A 83 6.307 11.060 -3.388 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.996 12.621 -2.092 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.333 10.970 -2.091 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.192 11.585 -0.659 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.387 13.011 -2.147 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.768 11.902 -0.807 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.536 11.674 -2.396 1.00 0.00 H new ATOM 1297 N LEU A 84 6.679 6.375 -1.852 1.00 0.00 N ATOM 1298 CA LEU A 84 7.284 5.058 -1.993 1.00 0.00 C ATOM 1299 C LEU A 84 6.485 4.194 -2.956 1.00 0.00 C ATOM 1300 O LEU A 84 7.072 3.383 -3.672 1.00 0.00 O ATOM 1301 CB LEU A 84 7.360 4.419 -0.594 1.00 0.00 C ATOM 1302 CG LEU A 84 8.400 3.318 -0.308 1.00 0.00 C ATOM 1303 CD1 LEU A 84 8.210 2.024 -1.086 1.00 0.00 C ATOM 1304 CD2 LEU A 84 9.835 3.772 -0.535 1.00 0.00 C ATOM 0 H LEU A 84 6.279 6.552 -0.930 1.00 0.00 H new ATOM 0 HA LEU A 84 8.287 5.147 -2.411 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.533 5.223 0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.377 4.002 -0.373 1.00 0.00 H new ATOM 0 HG LEU A 84 8.221 3.115 0.748 1.00 0.00 H new ATOM 0 HD11 LEU A 84 8.993 1.316 -0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 84 7.236 1.597 -0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 84 8.266 2.231 -2.155 1.00 0.00 H new ATOM 0 HD21 LEU A 84 10.516 2.950 -0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.960 4.079 -1.573 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.059 4.613 0.121 1.00 0.00 H new ATOM 1316 N ILE A 85 5.160 4.377 -3.008 1.00 0.00 N ATOM 1317 CA ILE A 85 4.302 3.580 -3.873 1.00 0.00 C ATOM 1318 C ILE A 85 4.803 3.672 -5.297 1.00 0.00 C ATOM 1319 O ILE A 85 4.891 2.647 -5.957 1.00 0.00 O ATOM 1320 CB ILE A 85 2.813 3.970 -3.790 1.00 0.00 C ATOM 1321 CG1 ILE A 85 2.365 4.039 -2.332 1.00 0.00 C ATOM 1322 CG2 ILE A 85 1.891 3.014 -4.565 1.00 0.00 C ATOM 1323 CD1 ILE A 85 2.686 2.832 -1.459 1.00 0.00 C ATOM 0 H ILE A 85 4.663 5.076 -2.455 1.00 0.00 H new ATOM 0 HA ILE A 85 4.356 2.550 -3.522 1.00 0.00 H new ATOM 0 HB ILE A 85 2.727 4.950 -4.259 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.821 4.919 -1.877 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.286 4.194 -2.315 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.857 3.345 -4.466 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.172 3.012 -5.618 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.990 2.006 -4.161 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.316 3.005 -0.448 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.207 1.945 -1.874 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.765 2.681 -1.430 1.00 0.00 H new ATOM 1335 N ASP A 86 5.101 4.875 -5.790 1.00 0.00 N ATOM 1336 CA ASP A 86 5.385 5.025 -7.219 1.00 0.00 C ATOM 1337 C ASP A 86 6.726 4.401 -7.553 1.00 0.00 C ATOM 1338 O ASP A 86 6.928 3.887 -8.655 1.00 0.00 O ATOM 1339 CB ASP A 86 5.409 6.494 -7.631 1.00 0.00 C ATOM 1340 CG ASP A 86 5.561 6.675 -9.145 1.00 0.00 C ATOM 1341 OD1 ASP A 86 4.909 5.946 -9.926 1.00 0.00 O ATOM 1342 OD2 ASP A 86 6.296 7.596 -9.569 1.00 0.00 O ATOM 0 H ASP A 86 5.152 5.734 -5.243 1.00 0.00 H new ATOM 0 HA ASP A 86 4.589 4.519 -7.766 1.00 0.00 H new ATOM 0 HB2 ASP A 86 4.489 6.976 -7.301 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.232 6.997 -7.123 1.00 0.00 H new ATOM 1347 N HIS A 87 7.645 4.438 -6.591 1.00 0.00 N ATOM 1348 CA HIS A 87 8.958 3.863 -6.764 1.00 0.00 C ATOM 1349 C HIS A 87 8.922 2.343 -6.616 1.00 0.00 C ATOM 1350 O HIS A 87 9.905 1.709 -6.983 1.00 0.00 O ATOM 1351 CB HIS A 87 9.982 4.524 -5.838 1.00 0.00 C ATOM 1352 CG HIS A 87 10.284 5.958 -6.220 1.00 0.00 C ATOM 1353 ND1 HIS A 87 11.507 6.449 -6.621 1.00 0.00 N ATOM 1354 CD2 HIS A 87 9.390 6.993 -6.286 1.00 0.00 C ATOM 1355 CE1 HIS A 87 11.350 7.752 -6.921 1.00 0.00 C ATOM 1356 NE2 HIS A 87 10.071 8.125 -6.739 1.00 0.00 N ATOM 0 H HIS A 87 7.493 4.867 -5.678 1.00 0.00 H new ATOM 0 HA HIS A 87 9.285 4.068 -7.783 1.00 0.00 H new ATOM 0 HB2 HIS A 87 9.609 4.497 -4.814 1.00 0.00 H new ATOM 0 HB3 HIS A 87 10.906 3.946 -5.856 1.00 0.00 H new ATOM 0 HD2 HIS A 87 8.341 6.943 -6.032 1.00 0.00 H new ATOM 0 HE1 HIS A 87 12.140 8.406 -7.260 1.00 0.00 H new ATOM 0 HE2 HIS A 87 9.676 9.052 -6.900 1.00 0.00 H new ATOM 1364 N LEU A 88 7.805 1.723 -6.208 1.00 0.00 N ATOM 1365 CA LEU A 88 7.579 0.293 -6.348 1.00 0.00 C ATOM 1366 C LEU A 88 6.686 -0.061 -7.534 1.00 0.00 C ATOM 1367 O LEU A 88 6.923 -1.068 -8.197 1.00 0.00 O ATOM 1368 CB LEU A 88 6.909 -0.181 -5.069 1.00 0.00 C ATOM 1369 CG LEU A 88 7.852 -0.301 -3.867 1.00 0.00 C ATOM 1370 CD1 LEU A 88 7.633 -1.694 -3.285 1.00 0.00 C ATOM 1371 CD2 LEU A 88 9.368 -0.106 -4.031 1.00 0.00 C ATOM 0 H LEU A 88 7.028 2.215 -5.767 1.00 0.00 H new ATOM 0 HA LEU A 88 8.539 -0.191 -6.525 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.105 0.510 -4.817 1.00 0.00 H new ATOM 0 HB3 LEU A 88 6.449 -1.152 -5.253 1.00 0.00 H new ATOM 0 HG LEU A 88 7.577 0.555 -3.251 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.283 -1.834 -2.421 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.593 -1.800 -2.977 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.866 -2.445 -4.040 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.858 -0.232 -3.065 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.756 -0.844 -4.733 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.567 0.896 -4.411 1.00 0.00 H new ATOM 1383 N LEU A 89 5.632 0.716 -7.783 1.00 0.00 N ATOM 1384 CA LEU A 89 4.625 0.449 -8.807 1.00 0.00 C ATOM 1385 C LEU A 89 5.266 0.548 -10.170 1.00 0.00 C ATOM 1386 O LEU A 89 5.114 -0.346 -10.999 1.00 0.00 O ATOM 1387 CB LEU A 89 3.436 1.425 -8.662 1.00 0.00 C ATOM 1388 CG LEU A 89 2.084 0.716 -8.820 1.00 0.00 C ATOM 1389 CD1 LEU A 89 1.066 1.258 -7.820 1.00 0.00 C ATOM 1390 CD2 LEU A 89 1.487 0.775 -10.210 1.00 0.00 C ATOM 0 H LEU A 89 5.451 1.574 -7.262 1.00 0.00 H new ATOM 0 HA LEU A 89 4.230 -0.559 -8.683 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.480 1.907 -7.685 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.521 2.213 -9.410 1.00 0.00 H new ATOM 0 HG LEU A 89 2.305 -0.333 -8.624 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.116 0.740 -7.951 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.430 1.096 -6.806 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.924 2.326 -7.988 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.534 0.246 -10.219 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.328 1.815 -10.494 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.169 0.306 -10.919 1.00 0.00 H new ATOM 1402 N SER A 90 6.017 1.619 -10.378 1.00 0.00 N ATOM 1403 CA SER A 90 6.545 1.957 -11.683 1.00 0.00 C ATOM 1404 C SER A 90 7.945 1.371 -11.883 1.00 0.00 C ATOM 1405 O SER A 90 8.589 1.642 -12.897 1.00 0.00 O ATOM 1406 CB SER A 90 6.530 3.476 -11.840 1.00 0.00 C ATOM 1407 OG SER A 90 5.221 3.951 -11.581 1.00 0.00 O ATOM 0 H SER A 90 6.276 2.277 -9.643 1.00 0.00 H new ATOM 0 HA SER A 90 5.918 1.518 -12.459 1.00 0.00 H new ATOM 0 HB2 SER A 90 7.240 3.933 -11.151 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.839 3.754 -12.848 1.00 0.00 H new ATOM 0 HG SER A 90 5.269 4.854 -11.204 1.00 0.00 H new ATOM 1413 N THR A 91 8.409 0.559 -10.933 1.00 0.00 N ATOM 1414 CA THR A 91 9.637 -0.218 -11.025 1.00 0.00 C ATOM 1415 C THR A 91 9.320 -1.712 -11.057 1.00 0.00 C ATOM 1416 O THR A 91 10.078 -2.484 -11.647 1.00 0.00 O ATOM 1417 CB THR A 91 10.580 0.148 -9.875 1.00 0.00 C ATOM 1418 OG1 THR A 91 10.030 -0.274 -8.646 1.00 0.00 O ATOM 1419 CG2 THR A 91 10.805 1.657 -9.799 1.00 0.00 C ATOM 0 H THR A 91 7.920 0.422 -10.048 1.00 0.00 H new ATOM 0 HA THR A 91 10.148 0.023 -11.957 1.00 0.00 H new ATOM 0 HB THR A 91 11.531 -0.350 -10.063 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.960 0.492 -8.039 1.00 0.00 H new ATOM 0 HG21 THR A 91 11.479 1.883 -8.973 1.00 0.00 H new ATOM 0 HG22 THR A 91 11.246 2.007 -10.733 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.851 2.159 -9.638 1.00 0.00 H new ATOM 1427 N GLN A 92 8.159 -2.106 -10.515 1.00 0.00 N ATOM 1428 CA GLN A 92 7.734 -3.496 -10.374 1.00 0.00 C ATOM 1429 C GLN A 92 8.731 -4.218 -9.461 1.00 0.00 C ATOM 1430 O GLN A 92 9.380 -5.185 -9.871 1.00 0.00 O ATOM 1431 CB GLN A 92 7.535 -4.173 -11.755 1.00 0.00 C ATOM 1432 CG GLN A 92 6.504 -3.495 -12.670 1.00 0.00 C ATOM 1433 CD GLN A 92 5.097 -3.841 -12.221 1.00 0.00 C ATOM 1434 OE1 GLN A 92 4.531 -4.842 -12.664 1.00 0.00 O ATOM 1435 NE2 GLN A 92 4.554 -3.065 -11.306 1.00 0.00 N ATOM 0 H GLN A 92 7.473 -1.443 -10.154 1.00 0.00 H new ATOM 0 HA GLN A 92 6.753 -3.549 -9.902 1.00 0.00 H new ATOM 0 HB2 GLN A 92 8.495 -4.199 -12.271 1.00 0.00 H new ATOM 0 HB3 GLN A 92 7.231 -5.207 -11.595 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.644 -2.414 -12.650 1.00 0.00 H new ATOM 0 HG3 GLN A 92 6.654 -3.817 -13.700 1.00 0.00 H new ATOM 0 HE21 GLN A 92 5.059 -2.246 -10.967 1.00 0.00 H new ATOM 0 HE22 GLN A 92 3.629 -3.283 -10.936 1.00 0.00 H new ATOM 1444 N GLN A 93 8.862 -3.715 -8.226 1.00 0.00 N ATOM 1445 CA GLN A 93 9.725 -4.286 -7.194 1.00 0.00 C ATOM 1446 C GLN A 93 8.913 -5.096 -6.170 1.00 0.00 C ATOM 1447 O GLN A 93 7.743 -4.786 -5.933 1.00 0.00 O ATOM 1448 CB GLN A 93 10.527 -3.175 -6.489 1.00 0.00 C ATOM 1449 CG GLN A 93 11.901 -3.016 -7.149 1.00 0.00 C ATOM 1450 CD GLN A 93 12.720 -1.884 -6.545 1.00 0.00 C ATOM 1451 OE1 GLN A 93 13.673 -2.099 -5.802 1.00 0.00 O ATOM 1452 NE2 GLN A 93 12.371 -0.654 -6.859 1.00 0.00 N ATOM 0 H GLN A 93 8.360 -2.884 -7.915 1.00 0.00 H new ATOM 0 HA GLN A 93 10.422 -4.968 -7.681 1.00 0.00 H new ATOM 0 HB2 GLN A 93 9.980 -2.234 -6.539 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.648 -3.418 -5.433 1.00 0.00 H new ATOM 0 HG2 GLN A 93 12.455 -3.950 -7.053 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.767 -2.833 -8.215 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.577 -0.491 -7.478 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.895 0.136 -6.484 1.00 0.00 H new ATOM 1461 N PRO A 94 9.535 -6.120 -5.551 1.00 0.00 N ATOM 1462 CA PRO A 94 8.908 -7.020 -4.583 1.00 0.00 C ATOM 1463 C PRO A 94 8.630 -6.311 -3.254 1.00 0.00 C ATOM 1464 O PRO A 94 9.418 -5.479 -2.803 1.00 0.00 O ATOM 1465 CB PRO A 94 9.914 -8.165 -4.404 1.00 0.00 C ATOM 1466 CG PRO A 94 11.262 -7.515 -4.701 1.00 0.00 C ATOM 1467 CD PRO A 94 10.914 -6.517 -5.796 1.00 0.00 C ATOM 0 HA PRO A 94 7.938 -7.377 -4.930 1.00 0.00 H new ATOM 0 HB2 PRO A 94 9.880 -8.573 -3.394 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.708 -8.989 -5.087 1.00 0.00 H new ATOM 0 HG2 PRO A 94 11.678 -7.023 -3.821 1.00 0.00 H new ATOM 0 HG3 PRO A 94 11.999 -8.245 -5.037 1.00 0.00 H new ATOM 0 HD2 PRO A 94 11.580 -5.655 -5.765 1.00 0.00 H new ATOM 0 HD3 PRO A 94 11.021 -6.967 -6.783 1.00 0.00 H new ATOM 1475 N LEU A 95 7.588 -6.744 -2.542 1.00 0.00 N ATOM 1476 CA LEU A 95 7.194 -6.181 -1.252 1.00 0.00 C ATOM 1477 C LEU A 95 7.878 -6.853 -0.064 1.00 0.00 C ATOM 1478 O LEU A 95 7.846 -6.334 1.049 1.00 0.00 O ATOM 1479 CB LEU A 95 5.686 -6.282 -1.035 1.00 0.00 C ATOM 1480 CG LEU A 95 4.794 -5.588 -2.071 1.00 0.00 C ATOM 1481 CD1 LEU A 95 3.384 -5.481 -1.487 1.00 0.00 C ATOM 1482 CD2 LEU A 95 5.251 -4.221 -2.580 1.00 0.00 C ATOM 0 H LEU A 95 6.986 -7.507 -2.851 1.00 0.00 H new ATOM 0 HA LEU A 95 7.510 -5.139 -1.296 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.416 -7.338 -1.006 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.455 -5.867 -0.054 1.00 0.00 H new ATOM 0 HG LEU A 95 4.844 -6.216 -2.960 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.729 -4.990 -2.206 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.003 -6.479 -1.271 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.415 -4.898 -0.567 1.00 0.00 H new ATOM 0 HD21 LEU A 95 4.531 -3.844 -3.306 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.321 -3.526 -1.743 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.228 -4.317 -3.054 1.00 0.00 H new ATOM 1494 N THR A 96 8.451 -8.032 -0.246 1.00 0.00 N ATOM 1495 CA THR A 96 9.423 -8.593 0.677 1.00 0.00 C ATOM 1496 C THR A 96 10.214 -9.598 -0.150 1.00 0.00 C ATOM 1497 O THR A 96 9.664 -10.239 -1.055 1.00 0.00 O ATOM 1498 CB THR A 96 8.772 -9.174 1.961 1.00 0.00 C ATOM 1499 OG1 THR A 96 9.566 -10.194 2.540 1.00 0.00 O ATOM 1500 CG2 THR A 96 7.378 -9.769 1.761 1.00 0.00 C ATOM 0 H THR A 96 8.252 -8.632 -1.047 1.00 0.00 H new ATOM 0 HA THR A 96 10.089 -7.834 1.088 1.00 0.00 H new ATOM 0 HB THR A 96 8.691 -8.303 2.612 1.00 0.00 H new ATOM 0 HG1 THR A 96 9.125 -10.534 3.346 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.005 -10.149 2.712 1.00 0.00 H new ATOM 0 HG22 THR A 96 6.703 -8.998 1.389 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.431 -10.584 1.040 1.00 0.00 H new ATOM 1508 N LYS A 97 11.490 -9.784 0.193 1.00 0.00 N ATOM 1509 CA LYS A 97 12.340 -10.821 -0.381 1.00 0.00 C ATOM 1510 C LYS A 97 11.827 -12.227 -0.074 1.00 0.00 C ATOM 1511 O LYS A 97 12.360 -13.192 -0.623 1.00 0.00 O ATOM 1512 CB LYS A 97 13.794 -10.622 0.094 1.00 0.00 C ATOM 1513 CG LYS A 97 14.809 -10.500 -1.053 1.00 0.00 C ATOM 1514 CD LYS A 97 14.774 -9.168 -1.819 1.00 0.00 C ATOM 1515 CE LYS A 97 13.789 -9.117 -2.998 1.00 0.00 C ATOM 1516 NZ LYS A 97 14.192 -9.995 -4.122 1.00 0.00 N ATOM 0 H LYS A 97 11.966 -9.208 0.888 1.00 0.00 H new ATOM 0 HA LYS A 97 12.311 -10.724 -1.466 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.846 -9.724 0.710 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.077 -11.461 0.730 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.811 -10.641 -0.647 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.634 -11.312 -1.759 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.520 -8.372 -1.120 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.775 -8.956 -2.194 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.798 -9.411 -2.651 1.00 0.00 H new ATOM 0 HE3 LYS A 97 13.710 -8.090 -3.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 13.571 -9.821 -4.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 15.177 -9.791 -4.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 14.111 -10.990 -3.831 1.00 0.00 H new ATOM 1530 N LYS A 98 10.823 -12.377 0.796 1.00 0.00 N ATOM 1531 CA LYS A 98 10.047 -13.604 0.879 1.00 0.00 C ATOM 1532 C LYS A 98 9.100 -13.661 -0.304 1.00 0.00 C ATOM 1533 O LYS A 98 9.290 -14.479 -1.201 1.00 0.00 O ATOM 1534 CB LYS A 98 9.307 -13.697 2.222 1.00 0.00 C ATOM 1535 CG LYS A 98 10.275 -13.770 3.406 1.00 0.00 C ATOM 1536 CD LYS A 98 11.254 -14.948 3.311 1.00 0.00 C ATOM 1537 CE LYS A 98 12.595 -14.533 2.680 1.00 0.00 C ATOM 1538 NZ LYS A 98 13.572 -15.635 2.646 1.00 0.00 N ATOM 0 H LYS A 98 10.532 -11.654 1.454 1.00 0.00 H new ATOM 0 HA LYS A 98 10.710 -14.468 0.836 1.00 0.00 H new ATOM 0 HB2 LYS A 98 8.657 -12.830 2.338 1.00 0.00 H new ATOM 0 HB3 LYS A 98 8.666 -14.579 2.223 1.00 0.00 H new ATOM 0 HG2 LYS A 98 10.840 -12.840 3.464 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.703 -13.854 4.330 1.00 0.00 H new ATOM 0 HD2 LYS A 98 11.432 -15.353 4.307 1.00 0.00 H new ATOM 0 HD3 LYS A 98 10.806 -15.745 2.718 1.00 0.00 H new ATOM 0 HE2 LYS A 98 12.420 -14.177 1.665 1.00 0.00 H new ATOM 0 HE3 LYS A 98 13.014 -13.699 3.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 14.456 -15.302 2.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 13.763 -15.960 3.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 13.187 -16.423 2.087 1.00 0.00 H new ATOM 1552 N SER A 99 8.063 -12.837 -0.278 1.00 0.00 N ATOM 1553 CA SER A 99 6.881 -13.045 -1.087 1.00 0.00 C ATOM 1554 C SER A 99 7.072 -12.718 -2.569 1.00 0.00 C ATOM 1555 O SER A 99 6.296 -13.201 -3.391 1.00 0.00 O ATOM 1556 CB SER A 99 5.772 -12.156 -0.527 1.00 0.00 C ATOM 1557 OG SER A 99 5.567 -12.433 0.842 1.00 0.00 O ATOM 0 H SER A 99 8.022 -12.003 0.308 1.00 0.00 H new ATOM 0 HA SER A 99 6.637 -14.106 -1.038 1.00 0.00 H new ATOM 0 HB2 SER A 99 6.037 -11.107 -0.657 1.00 0.00 H new ATOM 0 HB3 SER A 99 4.848 -12.323 -1.081 1.00 0.00 H new ATOM 0 HG SER A 99 5.043 -11.710 1.247 1.00 0.00 H new ATOM 1563 N GLY A 100 8.034 -11.860 -2.924 1.00 0.00 N ATOM 1564 CA GLY A 100 8.271 -11.439 -4.302 1.00 0.00 C ATOM 1565 C GLY A 100 7.235 -10.461 -4.858 1.00 0.00 C ATOM 1566 O GLY A 100 7.473 -9.883 -5.918 1.00 0.00 O ATOM 0 H GLY A 100 8.675 -11.436 -2.253 1.00 0.00 H new ATOM 0 HA2 GLY A 100 9.256 -10.977 -4.362 1.00 0.00 H new ATOM 0 HA3 GLY A 100 8.295 -12.323 -4.939 1.00 0.00 H new ATOM 1570 N VAL A 101 6.105 -10.249 -4.179 1.00 0.00 N ATOM 1571 CA VAL A 101 4.928 -9.555 -4.682 1.00 0.00 C ATOM 1572 C VAL A 101 5.196 -8.169 -5.245 1.00 0.00 C ATOM 1573 O VAL A 101 5.821 -7.395 -4.544 1.00 0.00 O ATOM 1574 CB VAL A 101 3.856 -9.607 -3.578 1.00 0.00 C ATOM 1575 CG1 VAL A 101 4.186 -9.442 -2.095 1.00 0.00 C ATOM 1576 CG2 VAL A 101 2.605 -8.791 -3.859 1.00 0.00 C ATOM 0 H VAL A 101 5.985 -10.574 -3.219 1.00 0.00 H new ATOM 0 HA VAL A 101 4.558 -10.070 -5.569 1.00 0.00 H new ATOM 0 HB VAL A 101 3.715 -10.682 -3.687 1.00 0.00 H new ATOM 0 HG11 VAL A 101 3.270 -9.515 -1.508 1.00 0.00 H new ATOM 0 HG12 VAL A 101 4.878 -10.226 -1.787 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.645 -8.467 -1.931 1.00 0.00 H new ATOM 0 HG21 VAL A 101 1.910 -8.891 -3.025 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.875 -7.742 -3.983 1.00 0.00 H new ATOM 0 HG23 VAL A 101 2.131 -9.154 -4.771 1.00 0.00 H new ATOM 1586 N VAL A 102 4.739 -7.828 -6.457 1.00 0.00 N ATOM 1587 CA VAL A 102 4.942 -6.490 -7.023 1.00 0.00 C ATOM 1588 C VAL A 102 3.623 -5.724 -7.063 1.00 0.00 C ATOM 1589 O VAL A 102 2.556 -6.323 -7.212 1.00 0.00 O ATOM 1590 CB VAL A 102 5.665 -6.523 -8.386 1.00 0.00 C ATOM 1591 CG1 VAL A 102 6.971 -7.319 -8.311 1.00 0.00 C ATOM 1592 CG2 VAL A 102 4.845 -7.018 -9.576 1.00 0.00 C ATOM 0 H VAL A 102 4.224 -8.464 -7.066 1.00 0.00 H new ATOM 0 HA VAL A 102 5.616 -5.945 -6.362 1.00 0.00 H new ATOM 0 HB VAL A 102 5.860 -5.469 -8.582 1.00 0.00 H new ATOM 0 HG11 VAL A 102 7.453 -7.321 -9.289 1.00 0.00 H new ATOM 0 HG12 VAL A 102 7.636 -6.859 -7.580 1.00 0.00 H new ATOM 0 HG13 VAL A 102 6.755 -8.344 -8.011 1.00 0.00 H new ATOM 0 HG21 VAL A 102 5.460 -6.996 -10.476 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.512 -8.039 -9.389 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.977 -6.373 -9.713 1.00 0.00 H new ATOM 1602 N LEU A 103 3.672 -4.404 -6.865 1.00 0.00 N ATOM 1603 CA LEU A 103 2.493 -3.549 -6.912 1.00 0.00 C ATOM 1604 C LEU A 103 1.970 -3.499 -8.334 1.00 0.00 C ATOM 1605 O LEU A 103 2.760 -3.433 -9.271 1.00 0.00 O ATOM 1606 CB LEU A 103 2.843 -2.118 -6.486 1.00 0.00 C ATOM 1607 CG LEU A 103 3.390 -1.905 -5.072 1.00 0.00 C ATOM 1608 CD1 LEU A 103 3.449 -0.399 -4.822 1.00 0.00 C ATOM 1609 CD2 LEU A 103 2.520 -2.555 -3.997 1.00 0.00 C ATOM 0 H LEU A 103 4.537 -3.900 -6.667 1.00 0.00 H new ATOM 0 HA LEU A 103 1.745 -3.959 -6.233 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.578 -1.730 -7.191 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.946 -1.508 -6.593 1.00 0.00 H new ATOM 0 HG LEU A 103 4.373 -2.371 -5.010 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.836 -0.211 -3.820 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.105 0.066 -5.557 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.448 0.024 -4.910 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.957 -2.371 -3.015 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.517 -2.129 -4.034 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.465 -3.629 -4.174 1.00 0.00 H new ATOM 1621 N HIS A 104 0.652 -3.409 -8.496 1.00 0.00 N ATOM 1622 CA HIS A 104 0.052 -3.283 -9.814 1.00 0.00 C ATOM 1623 C HIS A 104 -1.160 -2.356 -9.787 1.00 0.00 C ATOM 1624 O HIS A 104 -1.324 -1.544 -10.704 1.00 0.00 O ATOM 1625 CB HIS A 104 -0.428 -4.659 -10.253 1.00 0.00 C ATOM 1626 CG HIS A 104 0.563 -5.687 -10.735 1.00 0.00 C ATOM 1627 ND1 HIS A 104 1.717 -5.489 -11.460 1.00 0.00 N ATOM 1628 CD2 HIS A 104 0.363 -7.037 -10.646 1.00 0.00 C ATOM 1629 CE1 HIS A 104 2.203 -6.704 -11.777 1.00 0.00 C ATOM 1630 NE2 HIS A 104 1.401 -7.680 -11.319 1.00 0.00 N ATOM 0 H HIS A 104 -0.018 -3.421 -7.727 1.00 0.00 H new ATOM 0 HA HIS A 104 0.798 -2.873 -10.495 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -0.966 -5.097 -9.413 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -1.153 -4.509 -11.053 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -0.459 -7.522 -10.141 1.00 0.00 H new ATOM 0 HE1 HIS A 104 3.117 -6.872 -12.327 1.00 0.00 H new ATOM 0 HE2 HIS A 104 1.526 -8.685 -11.439 1.00 0.00 H new ATOM 1638 N ARG A 105 -2.063 -2.510 -8.809 1.00 0.00 N ATOM 1639 CA ARG A 105 -3.378 -1.892 -8.884 1.00 0.00 C ATOM 1640 C ARG A 105 -3.808 -1.430 -7.498 1.00 0.00 C ATOM 1641 O ARG A 105 -3.489 -2.082 -6.513 1.00 0.00 O ATOM 1642 CB ARG A 105 -4.367 -2.906 -9.464 1.00 0.00 C ATOM 1643 CG ARG A 105 -5.628 -2.232 -10.024 1.00 0.00 C ATOM 1644 CD ARG A 105 -5.425 -1.801 -11.478 1.00 0.00 C ATOM 1645 NE ARG A 105 -6.547 -0.984 -11.965 1.00 0.00 N ATOM 1646 CZ ARG A 105 -6.764 -0.650 -13.241 1.00 0.00 C ATOM 1647 NH1 ARG A 105 -5.963 -1.096 -14.202 1.00 0.00 N ATOM 1648 NH2 ARG A 105 -7.775 0.143 -13.566 1.00 0.00 N ATOM 0 H ARG A 105 -1.900 -3.056 -7.963 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.350 -1.017 -9.534 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -3.879 -3.475 -10.256 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -4.651 -3.618 -8.689 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -6.471 -2.921 -9.960 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -5.880 -1.363 -9.416 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -4.498 -1.234 -11.563 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -5.318 -2.684 -12.108 1.00 0.00 H new ATOM 0 HE ARG A 105 -7.214 -0.644 -11.272 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -5.174 -1.699 -13.969 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -6.137 -0.836 -15.173 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -8.394 0.503 -12.840 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -7.934 0.393 -14.542 1.00 0.00 H new ATOM 1662 N ALA A 106 -4.515 -0.312 -7.402 1.00 0.00 N ATOM 1663 CA ALA A 106 -4.813 0.326 -6.134 1.00 0.00 C ATOM 1664 C ALA A 106 -6.326 0.483 -6.004 1.00 0.00 C ATOM 1665 O ALA A 106 -6.927 1.182 -6.824 1.00 0.00 O ATOM 1666 CB ALA A 106 -4.067 1.661 -6.105 1.00 0.00 C ATOM 0 H ALA A 106 -4.899 0.178 -8.210 1.00 0.00 H new ATOM 0 HA ALA A 106 -4.483 -0.267 -5.281 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -4.269 2.170 -5.163 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -2.996 1.481 -6.199 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -4.404 2.284 -6.933 1.00 0.00 H new ATOM 1672 N VAL A 107 -6.948 -0.144 -5.001 1.00 0.00 N ATOM 1673 CA VAL A 107 -8.387 -0.020 -4.752 1.00 0.00 C ATOM 1674 C VAL A 107 -8.691 1.416 -4.329 1.00 0.00 C ATOM 1675 O VAL A 107 -8.082 1.876 -3.372 1.00 0.00 O ATOM 1676 CB VAL A 107 -8.853 -0.952 -3.620 1.00 0.00 C ATOM 1677 CG1 VAL A 107 -10.382 -1.046 -3.625 1.00 0.00 C ATOM 1678 CG2 VAL A 107 -8.306 -2.371 -3.715 1.00 0.00 C ATOM 0 H VAL A 107 -6.467 -0.752 -4.338 1.00 0.00 H new ATOM 0 HA VAL A 107 -8.909 -0.292 -5.669 1.00 0.00 H new ATOM 0 HB VAL A 107 -8.468 -0.509 -2.702 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -10.709 -1.707 -2.822 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -10.808 -0.054 -3.474 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -10.719 -1.444 -4.582 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -8.682 -2.963 -2.880 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -8.627 -2.823 -4.654 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -7.217 -2.344 -3.679 1.00 0.00 H new ATOM 1688 N PRO A 108 -9.577 2.149 -5.006 1.00 0.00 N ATOM 1689 CA PRO A 108 -9.936 3.505 -4.625 1.00 0.00 C ATOM 1690 C PRO A 108 -11.065 3.548 -3.593 1.00 0.00 C ATOM 1691 O PRO A 108 -12.184 3.117 -3.868 1.00 0.00 O ATOM 1692 CB PRO A 108 -10.324 4.141 -5.959 1.00 0.00 C ATOM 1693 CG PRO A 108 -10.977 2.978 -6.725 1.00 0.00 C ATOM 1694 CD PRO A 108 -10.329 1.720 -6.170 1.00 0.00 C ATOM 0 HA PRO A 108 -9.126 4.036 -4.124 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -11.016 4.972 -5.823 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -9.454 4.533 -6.486 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -12.056 2.964 -6.574 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -10.806 3.068 -7.798 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -11.081 0.979 -5.899 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -9.676 1.257 -6.910 1.00 0.00 H new ATOM 1702 N SER A 109 -10.795 4.176 -2.451 1.00 0.00 N ATOM 1703 CA SER A 109 -11.772 4.590 -1.456 1.00 0.00 C ATOM 1704 C SER A 109 -12.435 5.927 -1.840 1.00 0.00 C ATOM 1705 O SER A 109 -13.360 6.396 -1.175 1.00 0.00 O ATOM 1706 CB SER A 109 -11.025 4.696 -0.115 1.00 0.00 C ATOM 1707 OG SER A 109 -9.919 5.586 -0.129 1.00 0.00 O ATOM 0 H SER A 109 -9.841 4.420 -2.185 1.00 0.00 H new ATOM 0 HA SER A 109 -12.582 3.864 -1.387 1.00 0.00 H new ATOM 0 HB2 SER A 109 -11.727 5.020 0.653 1.00 0.00 H new ATOM 0 HB3 SER A 109 -10.674 3.704 0.171 1.00 0.00 H new ATOM 0 HG SER A 109 -10.187 6.435 -0.539 1.00 0.00 H new ATOM 1713 N GLY A 110 -11.932 6.588 -2.888 1.00 0.00 N ATOM 1714 CA GLY A 110 -12.008 8.036 -3.025 1.00 0.00 C ATOM 1715 C GLY A 110 -10.996 8.695 -2.077 1.00 0.00 C ATOM 1716 O GLY A 110 -10.391 8.007 -1.253 1.00 0.00 O ATOM 0 H GLY A 110 -11.460 6.126 -3.665 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -11.799 8.326 -4.055 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -13.016 8.381 -2.795 1.00 0.00 H new ATOM 1720 N PRO A 111 -10.783 10.019 -2.163 1.00 0.00 N ATOM 1721 CA PRO A 111 -9.849 10.726 -1.289 1.00 0.00 C ATOM 1722 C PRO A 111 -10.364 10.814 0.155 1.00 0.00 C ATOM 1723 O PRO A 111 -9.595 11.141 1.064 1.00 0.00 O ATOM 1724 CB PRO A 111 -9.689 12.112 -1.918 1.00 0.00 C ATOM 1725 CG PRO A 111 -11.036 12.337 -2.601 1.00 0.00 C ATOM 1726 CD PRO A 111 -11.429 10.940 -3.080 1.00 0.00 C ATOM 0 HA PRO A 111 -8.897 10.201 -1.214 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -9.485 12.875 -1.167 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -8.865 12.139 -2.631 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -11.773 12.747 -1.910 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -10.953 13.038 -3.432 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -12.511 10.811 -3.068 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -11.099 10.769 -4.105 1.00 0.00 H new ATOM 1734 N SER A 112 -11.651 10.557 0.387 1.00 0.00 N ATOM 1735 CA SER A 112 -12.244 10.376 1.693 1.00 0.00 C ATOM 1736 C SER A 112 -11.851 8.997 2.229 1.00 0.00 C ATOM 1737 O SER A 112 -12.562 8.017 2.012 1.00 0.00 O ATOM 1738 CB SER A 112 -13.763 10.579 1.579 1.00 0.00 C ATOM 1739 OG SER A 112 -14.284 10.109 0.342 1.00 0.00 O ATOM 0 H SER A 112 -12.330 10.467 -0.369 1.00 0.00 H new ATOM 0 HA SER A 112 -11.877 11.111 2.409 1.00 0.00 H new ATOM 0 HB2 SER A 112 -14.258 10.059 2.399 1.00 0.00 H new ATOM 0 HB3 SER A 112 -13.994 11.639 1.688 1.00 0.00 H new ATOM 0 HG SER A 112 -15.252 10.258 0.317 1.00 0.00 H new ATOM 1745 N SER A 113 -10.736 8.924 2.958 1.00 0.00 N ATOM 1746 CA SER A 113 -10.448 7.762 3.786 1.00 0.00 C ATOM 1747 C SER A 113 -11.557 7.616 4.837 1.00 0.00 C ATOM 1748 O SER A 113 -12.131 8.625 5.267 1.00 0.00 O ATOM 1749 CB SER A 113 -9.086 7.957 4.453 1.00 0.00 C ATOM 1750 OG SER A 113 -8.582 6.713 4.864 1.00 0.00 O ATOM 0 H SER A 113 -10.024 9.654 2.989 1.00 0.00 H new ATOM 0 HA SER A 113 -10.416 6.855 3.183 1.00 0.00 H new ATOM 0 HB2 SER A 113 -8.393 8.430 3.757 1.00 0.00 H new ATOM 0 HB3 SER A 113 -9.181 8.624 5.310 1.00 0.00 H new ATOM 0 HG SER A 113 -8.146 6.270 4.106 1.00 0.00 H new ATOM 1756 N GLY A 114 -11.834 6.385 5.270 1.00 0.00 N ATOM 1757 CA GLY A 114 -12.906 6.064 6.197 1.00 0.00 C ATOM 1758 C GLY A 114 -14.158 5.754 5.411 1.00 0.00 C ATOM 1759 O GLY A 114 -14.808 6.706 4.927 1.00 0.00 O ATOM 0 H GLY A 114 -11.302 5.567 4.974 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -12.627 5.210 6.814 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -13.083 6.901 6.873 1.00 0.00 H new TER 1763 GLY A 114