USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 622 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 46 THR OG1 : rot 180:sc= 0.367 USER MOD Set 1.2: A 51 THR OG1 : rot -90:sc= -0.176 USER MOD Set 2.1: A 2 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 5 SER OG : rot 105:sc= 0.0785 USER MOD Single : A 1 GLY N :NH3+ -176:sc= 0 (180deg=-0.0103) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 21:sc= 0.218 USER MOD Single : A 8 LYS NZ :NH3+ -157:sc= -0.323 (180deg=-1.4!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.47 USER MOD Single : A 12 GLN : amide:sc= -0.781 X(o=-0.78,f=-0.78) USER MOD Single : A 15 HIS : no HD1:sc= -2.45 X(o=-2.5,f=-2.3!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 162:sc=-0.00669 (180deg=-0.523) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -9:sc= 0.097 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -3.32! C(o=-3.3!,f=-3.8!) USER MOD Single : A 27 TYR OH : rot 72:sc= -3.57! USER MOD Single : A 29 CYS SG : rot 35:sc= 0.165 USER MOD Single : A 32 SER OG : rot 99:sc= 0.697 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 HIS : no HD1:sc= -3.7! C(o=-3.7!,f=-2.7!) USER MOD Single : A 40 THR OG1 : rot 25:sc= 0.848 USER MOD Single : A 42 THR OG1 : rot 178:sc= 0.432 USER MOD Single : A 52 CYS SG : rot -110:sc= -2.35 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -120:sc= -0.827 USER MOD Single : A 58 SER OG : rot 78:sc= 1.62 USER MOD Single : A 59 LYS NZ :NH3+ -137:sc= 0.81 (180deg=0.09) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -8.76! C(o=-8.8!,f=-8.1!) USER MOD Single : A 72 ASN : amide:sc= 0.178 X(o=0.18,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.879 X(o=-0.88,f=-1.3) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.659 17.922 -6.344 1.00 0.00 N ATOM 2 CA GLY A 1 -24.267 19.108 -5.769 1.00 0.00 C ATOM 3 C GLY A 1 -23.553 19.576 -4.517 1.00 0.00 C ATOM 4 O GLY A 1 -23.312 20.770 -4.341 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.141 17.682 -7.234 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.653 18.105 -6.533 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.747 17.129 -5.677 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.262 19.910 -6.508 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.310 18.899 -5.532 1.00 0.00 H new ATOM 8 N SER A 2 -23.216 18.634 -3.642 1.00 0.00 N ATOM 9 CA SER A 2 -22.530 18.957 -2.397 1.00 0.00 C ATOM 10 C SER A 2 -21.190 18.234 -2.311 1.00 0.00 C ATOM 11 O SER A 2 -21.000 17.180 -2.918 1.00 0.00 O ATOM 12 CB SER A 2 -23.403 18.581 -1.197 1.00 0.00 C ATOM 13 OG SER A 2 -23.581 17.178 -1.116 1.00 0.00 O ATOM 0 H SER A 2 -23.407 17.641 -3.773 1.00 0.00 H new ATOM 0 HA SER A 2 -22.345 20.031 -2.381 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.942 18.946 -0.279 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.374 19.070 -1.282 1.00 0.00 H new ATOM 0 HG SER A 2 -24.141 16.963 -0.341 1.00 0.00 H new ATOM 19 N SER A 3 -20.262 18.809 -1.552 1.00 0.00 N ATOM 20 CA SER A 3 -18.937 18.222 -1.389 1.00 0.00 C ATOM 21 C SER A 3 -18.941 17.168 -0.286 1.00 0.00 C ATOM 22 O SER A 3 -19.735 17.238 0.652 1.00 0.00 O ATOM 23 CB SER A 3 -17.910 19.310 -1.067 1.00 0.00 C ATOM 24 OG SER A 3 -17.447 19.940 -2.248 1.00 0.00 O ATOM 0 H SER A 3 -20.403 19.680 -1.041 1.00 0.00 H new ATOM 0 HA SER A 3 -18.663 17.739 -2.327 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.357 20.053 -0.406 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.068 18.872 -0.531 1.00 0.00 H new ATOM 0 HG SER A 3 -16.793 20.632 -2.015 1.00 0.00 H new ATOM 30 N GLY A 4 -18.047 16.191 -0.405 1.00 0.00 N ATOM 31 CA GLY A 4 -17.964 15.136 0.588 1.00 0.00 C ATOM 32 C GLY A 4 -19.166 14.212 0.554 1.00 0.00 C ATOM 33 O GLY A 4 -19.807 13.979 1.578 1.00 0.00 O ATOM 0 H GLY A 4 -17.379 16.111 -1.171 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.058 14.554 0.421 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.879 15.580 1.580 1.00 0.00 H new ATOM 37 N SER A 5 -19.472 13.685 -0.628 1.00 0.00 N ATOM 38 CA SER A 5 -20.608 12.786 -0.792 1.00 0.00 C ATOM 39 C SER A 5 -20.139 11.381 -1.160 1.00 0.00 C ATOM 40 O SER A 5 -20.114 11.010 -2.333 1.00 0.00 O ATOM 41 CB SER A 5 -21.555 13.318 -1.869 1.00 0.00 C ATOM 42 OG SER A 5 -22.147 14.542 -1.469 1.00 0.00 O ATOM 0 H SER A 5 -18.949 13.865 -1.485 1.00 0.00 H new ATOM 0 HA SER A 5 -21.141 12.736 0.158 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.007 13.463 -2.800 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.334 12.582 -2.069 1.00 0.00 H new ATOM 0 HG SER A 5 -21.722 15.283 -1.949 1.00 0.00 H new ATOM 48 N SER A 6 -19.769 10.604 -0.147 1.00 0.00 N ATOM 49 CA SER A 6 -19.298 9.241 -0.362 1.00 0.00 C ATOM 50 C SER A 6 -20.366 8.399 -1.054 1.00 0.00 C ATOM 51 O SER A 6 -21.515 8.351 -0.616 1.00 0.00 O ATOM 52 CB SER A 6 -18.909 8.597 0.970 1.00 0.00 C ATOM 53 OG SER A 6 -20.049 8.373 1.781 1.00 0.00 O ATOM 0 H SER A 6 -19.786 10.895 0.830 1.00 0.00 H new ATOM 0 HA SER A 6 -18.420 9.284 -1.007 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.399 7.652 0.785 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.205 9.241 1.497 1.00 0.00 H new ATOM 0 HG SER A 6 -20.852 8.354 1.219 1.00 0.00 H new ATOM 59 N GLY A 7 -19.978 7.736 -2.139 1.00 0.00 N ATOM 60 CA GLY A 7 -20.913 6.905 -2.875 1.00 0.00 C ATOM 61 C GLY A 7 -20.294 6.298 -4.119 1.00 0.00 C ATOM 62 O GLY A 7 -20.425 5.099 -4.365 1.00 0.00 O ATOM 0 H GLY A 7 -19.033 7.759 -2.522 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.274 6.107 -2.226 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.780 7.502 -3.158 1.00 0.00 H new ATOM 66 N LYS A 8 -19.620 7.128 -4.908 1.00 0.00 N ATOM 67 CA LYS A 8 -18.979 6.668 -6.134 1.00 0.00 C ATOM 68 C LYS A 8 -17.498 6.389 -5.901 1.00 0.00 C ATOM 69 O LYS A 8 -16.854 7.039 -5.076 1.00 0.00 O ATOM 70 CB LYS A 8 -19.145 7.710 -7.242 1.00 0.00 C ATOM 71 CG LYS A 8 -20.428 7.550 -8.040 1.00 0.00 C ATOM 72 CD LYS A 8 -20.245 7.988 -9.483 1.00 0.00 C ATOM 73 CE LYS A 8 -21.220 7.277 -10.409 1.00 0.00 C ATOM 74 NZ LYS A 8 -21.154 5.798 -10.253 1.00 0.00 N ATOM 0 H LYS A 8 -19.504 8.124 -4.720 1.00 0.00 H new ATOM 0 HA LYS A 8 -19.461 5.740 -6.441 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -19.124 8.706 -6.799 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -18.294 7.645 -7.921 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -20.747 6.508 -8.013 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -21.221 8.138 -7.578 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -20.390 9.066 -9.558 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -19.223 7.781 -9.800 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -22.234 7.619 -10.201 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -20.999 7.543 -11.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -21.508 5.342 -11.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -20.168 5.510 -10.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -21.740 5.508 -9.444 1.00 0.00 H new ATOM 88 N THR A 9 -16.960 5.419 -6.635 1.00 0.00 N ATOM 89 CA THR A 9 -15.555 5.054 -6.509 1.00 0.00 C ATOM 90 C THR A 9 -14.650 6.166 -7.027 1.00 0.00 C ATOM 91 O THR A 9 -15.043 6.979 -7.864 1.00 0.00 O ATOM 92 CB THR A 9 -15.241 3.754 -7.272 1.00 0.00 C ATOM 93 OG1 THR A 9 -14.802 4.060 -8.600 1.00 0.00 O ATOM 94 CG2 THR A 9 -16.466 2.853 -7.333 1.00 0.00 C ATOM 0 H THR A 9 -17.477 4.872 -7.323 1.00 0.00 H new ATOM 0 HA THR A 9 -15.363 4.898 -5.447 1.00 0.00 H new ATOM 0 HB THR A 9 -14.449 3.228 -6.739 1.00 0.00 H new ATOM 0 HG1 THR A 9 -14.603 3.228 -9.078 1.00 0.00 H new ATOM 0 HG21 THR A 9 -16.220 1.941 -7.877 1.00 0.00 H new ATOM 0 HG22 THR A 9 -16.781 2.598 -6.321 1.00 0.00 H new ATOM 0 HG23 THR A 9 -17.275 3.373 -7.845 1.00 0.00 H new ATOM 102 N PRO A 10 -13.408 6.203 -6.522 1.00 0.00 N ATOM 103 CA PRO A 10 -12.421 7.211 -6.921 1.00 0.00 C ATOM 104 C PRO A 10 -11.937 7.012 -8.354 1.00 0.00 C ATOM 105 O PRO A 10 -11.266 7.876 -8.917 1.00 0.00 O ATOM 106 CB PRO A 10 -11.272 6.993 -5.934 1.00 0.00 C ATOM 107 CG PRO A 10 -11.400 5.569 -5.512 1.00 0.00 C ATOM 108 CD PRO A 10 -12.872 5.265 -5.521 1.00 0.00 C ATOM 0 HA PRO A 10 -12.835 8.219 -6.898 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.306 7.182 -6.403 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.349 7.667 -5.081 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.861 4.910 -6.193 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.976 5.417 -4.519 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.067 4.229 -5.797 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.321 5.424 -4.541 1.00 0.00 H new ATOM 116 N ILE A 11 -12.282 5.869 -8.936 1.00 0.00 N ATOM 117 CA ILE A 11 -11.884 5.558 -10.304 1.00 0.00 C ATOM 118 C ILE A 11 -12.967 5.963 -11.297 1.00 0.00 C ATOM 119 O ILE A 11 -12.673 6.335 -12.433 1.00 0.00 O ATOM 120 CB ILE A 11 -11.581 4.058 -10.475 1.00 0.00 C ATOM 121 CG1 ILE A 11 -10.565 3.597 -9.427 1.00 0.00 C ATOM 122 CG2 ILE A 11 -11.065 3.778 -11.878 1.00 0.00 C ATOM 123 CD1 ILE A 11 -9.203 4.236 -9.584 1.00 0.00 C ATOM 0 H ILE A 11 -12.836 5.143 -8.482 1.00 0.00 H new ATOM 0 HA ILE A 11 -10.978 6.129 -10.506 1.00 0.00 H new ATOM 0 HB ILE A 11 -12.505 3.498 -10.330 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.952 3.824 -8.433 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.458 2.514 -9.488 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.855 2.713 -11.983 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -11.818 4.073 -12.608 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -10.151 4.346 -12.050 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.535 3.863 -8.808 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.795 3.988 -10.564 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.296 5.318 -9.493 1.00 0.00 H new ATOM 135 N GLN A 12 -14.220 5.889 -10.861 1.00 0.00 N ATOM 136 CA GLN A 12 -15.348 6.250 -11.712 1.00 0.00 C ATOM 137 C GLN A 12 -15.562 7.760 -11.722 1.00 0.00 C ATOM 138 O GLN A 12 -15.864 8.347 -12.761 1.00 0.00 O ATOM 139 CB GLN A 12 -16.619 5.546 -11.235 1.00 0.00 C ATOM 140 CG GLN A 12 -16.745 4.114 -11.732 1.00 0.00 C ATOM 141 CD GLN A 12 -16.303 3.955 -13.173 1.00 0.00 C ATOM 142 OE1 GLN A 12 -16.992 4.388 -14.097 1.00 0.00 O ATOM 143 NE2 GLN A 12 -15.147 3.333 -13.372 1.00 0.00 N ATOM 0 H GLN A 12 -14.480 5.582 -9.924 1.00 0.00 H new ATOM 0 HA GLN A 12 -15.122 5.927 -12.728 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -16.637 5.546 -10.145 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -17.487 6.115 -11.569 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -16.147 3.460 -11.098 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -17.781 3.790 -11.636 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -14.609 2.990 -12.576 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -14.797 3.198 -14.321 1.00 0.00 H new ATOM 152 N VAL A 13 -15.403 8.383 -10.559 1.00 0.00 N ATOM 153 CA VAL A 13 -15.578 9.825 -10.434 1.00 0.00 C ATOM 154 C VAL A 13 -14.479 10.578 -11.175 1.00 0.00 C ATOM 155 O VAL A 13 -14.743 11.282 -12.151 1.00 0.00 O ATOM 156 CB VAL A 13 -15.580 10.264 -8.958 1.00 0.00 C ATOM 157 CG1 VAL A 13 -15.936 11.739 -8.840 1.00 0.00 C ATOM 158 CG2 VAL A 13 -16.544 9.409 -8.149 1.00 0.00 C ATOM 0 H VAL A 13 -15.153 7.912 -9.690 1.00 0.00 H new ATOM 0 HA VAL A 13 -16.543 10.066 -10.879 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.578 10.123 -8.554 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.932 12.031 -7.790 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -15.204 12.335 -9.385 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -16.927 11.909 -9.261 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -16.532 9.733 -7.108 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -17.551 9.516 -8.551 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.240 8.364 -8.207 1.00 0.00 H new ATOM 168 N LEU A 14 -13.245 10.426 -10.706 1.00 0.00 N ATOM 169 CA LEU A 14 -12.104 11.092 -11.325 1.00 0.00 C ATOM 170 C LEU A 14 -12.203 11.040 -12.846 1.00 0.00 C ATOM 171 O LEU A 14 -12.258 12.075 -13.511 1.00 0.00 O ATOM 172 CB LEU A 14 -10.798 10.441 -10.865 1.00 0.00 C ATOM 173 CG LEU A 14 -9.560 11.338 -10.879 1.00 0.00 C ATOM 174 CD1 LEU A 14 -8.292 10.498 -10.865 1.00 0.00 C ATOM 175 CD2 LEU A 14 -9.581 12.256 -12.092 1.00 0.00 C ATOM 0 H LEU A 14 -13.009 9.848 -9.900 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.112 12.137 -11.014 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.939 10.067 -9.851 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.603 9.577 -11.500 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.572 11.955 -9.981 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.421 11.153 -10.875 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.273 9.883 -9.965 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.272 9.855 -11.745 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.693 12.887 -12.086 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.594 11.656 -13.002 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.472 12.883 -12.058 1.00 0.00 H new ATOM 187 N HIS A 15 -12.226 9.828 -13.392 1.00 0.00 N ATOM 188 CA HIS A 15 -12.321 9.641 -14.835 1.00 0.00 C ATOM 189 C HIS A 15 -13.562 10.332 -15.392 1.00 0.00 C ATOM 190 O HIS A 15 -13.462 11.343 -16.086 1.00 0.00 O ATOM 191 CB HIS A 15 -12.356 8.151 -15.177 1.00 0.00 C ATOM 192 CG HIS A 15 -12.430 7.875 -16.647 1.00 0.00 C ATOM 193 ND1 HIS A 15 -11.392 8.141 -17.515 1.00 0.00 N ATOM 194 CD2 HIS A 15 -13.424 7.352 -17.401 1.00 0.00 C ATOM 195 CE1 HIS A 15 -11.746 7.795 -18.740 1.00 0.00 C ATOM 196 NE2 HIS A 15 -12.975 7.313 -18.698 1.00 0.00 N ATOM 0 H HIS A 15 -12.180 8.961 -12.857 1.00 0.00 H new ATOM 0 HA HIS A 15 -11.440 10.090 -15.293 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -11.465 7.672 -14.770 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -13.215 7.694 -14.686 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -14.391 7.026 -17.048 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -11.134 7.890 -19.625 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -13.504 6.968 -19.499 1.00 0.00 H new ATOM 204 N GLU A 16 -14.731 9.778 -15.084 1.00 0.00 N ATOM 205 CA GLU A 16 -15.990 10.341 -15.555 1.00 0.00 C ATOM 206 C GLU A 16 -15.940 11.866 -15.552 1.00 0.00 C ATOM 207 O GLU A 16 -16.495 12.518 -16.437 1.00 0.00 O ATOM 208 CB GLU A 16 -17.150 9.857 -14.682 1.00 0.00 C ATOM 209 CG GLU A 16 -17.443 8.374 -14.827 1.00 0.00 C ATOM 210 CD GLU A 16 -18.448 8.083 -15.925 1.00 0.00 C ATOM 211 OE1 GLU A 16 -19.220 8.997 -16.281 1.00 0.00 O ATOM 212 OE2 GLU A 16 -18.462 6.940 -16.427 1.00 0.00 O ATOM 0 H GLU A 16 -14.832 8.940 -14.511 1.00 0.00 H new ATOM 0 HA GLU A 16 -16.148 10.002 -16.579 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -16.923 10.073 -13.638 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -18.046 10.422 -14.937 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -16.515 7.843 -15.039 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -17.822 7.988 -13.881 1.00 0.00 H new ATOM 219 N TYR A 17 -15.270 12.428 -14.552 1.00 0.00 N ATOM 220 CA TYR A 17 -15.149 13.876 -14.431 1.00 0.00 C ATOM 221 C TYR A 17 -14.249 14.440 -15.526 1.00 0.00 C ATOM 222 O TYR A 17 -14.636 15.353 -16.255 1.00 0.00 O ATOM 223 CB TYR A 17 -14.593 14.250 -13.056 1.00 0.00 C ATOM 224 CG TYR A 17 -13.922 15.604 -13.022 1.00 0.00 C ATOM 225 CD1 TYR A 17 -14.661 16.771 -13.173 1.00 0.00 C ATOM 226 CD2 TYR A 17 -12.550 15.717 -12.837 1.00 0.00 C ATOM 227 CE1 TYR A 17 -14.052 18.011 -13.143 1.00 0.00 C ATOM 228 CE2 TYR A 17 -11.932 16.952 -12.804 1.00 0.00 C ATOM 229 CZ TYR A 17 -12.687 18.096 -12.958 1.00 0.00 C ATOM 230 OH TYR A 17 -12.077 19.329 -12.926 1.00 0.00 O ATOM 0 H TYR A 17 -14.802 11.903 -13.813 1.00 0.00 H new ATOM 0 HA TYR A 17 -16.143 14.309 -14.543 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -15.405 14.238 -12.329 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -13.876 13.491 -12.745 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -15.730 16.708 -13.316 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -11.956 14.823 -12.717 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -14.641 18.908 -13.264 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -10.864 17.021 -12.658 1.00 0.00 H new ATOM 0 HH TYR A 17 -11.114 19.214 -12.787 1.00 0.00 H new ATOM 240 N GLY A 18 -13.044 13.889 -15.636 1.00 0.00 N ATOM 241 CA GLY A 18 -12.107 14.348 -16.644 1.00 0.00 C ATOM 242 C GLY A 18 -12.796 14.779 -17.923 1.00 0.00 C ATOM 243 O GLY A 18 -12.411 15.772 -18.540 1.00 0.00 O ATOM 0 H GLY A 18 -12.700 13.133 -15.044 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.531 15.183 -16.246 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.399 13.550 -16.868 1.00 0.00 H new ATOM 247 N MET A 19 -13.819 14.031 -18.324 1.00 0.00 N ATOM 248 CA MET A 19 -14.563 14.341 -19.539 1.00 0.00 C ATOM 249 C MET A 19 -15.017 15.798 -19.541 1.00 0.00 C ATOM 250 O MET A 19 -14.845 16.511 -20.529 1.00 0.00 O ATOM 251 CB MET A 19 -15.775 13.417 -19.671 1.00 0.00 C ATOM 252 CG MET A 19 -15.411 11.942 -19.730 1.00 0.00 C ATOM 253 SD MET A 19 -16.850 10.865 -19.592 1.00 0.00 S ATOM 254 CE MET A 19 -16.062 9.278 -19.331 1.00 0.00 C ATOM 0 H MET A 19 -14.151 13.206 -17.825 1.00 0.00 H new ATOM 0 HA MET A 19 -13.901 14.183 -20.391 1.00 0.00 H new ATOM 0 HB2 MET A 19 -16.443 13.584 -18.826 1.00 0.00 H new ATOM 0 HB3 MET A 19 -16.328 13.683 -20.572 1.00 0.00 H new ATOM 0 HG2 MET A 19 -14.897 11.736 -20.669 1.00 0.00 H new ATOM 0 HG3 MET A 19 -14.712 11.712 -18.926 1.00 0.00 H new ATOM 0 HE1 MET A 19 -16.785 8.576 -18.916 1.00 0.00 H new ATOM 0 HE2 MET A 19 -15.690 8.896 -20.282 1.00 0.00 H new ATOM 0 HE3 MET A 19 -15.230 9.395 -18.637 1.00 0.00 H new ATOM 264 N LYS A 20 -15.598 16.233 -18.428 1.00 0.00 N ATOM 265 CA LYS A 20 -16.077 17.604 -18.300 1.00 0.00 C ATOM 266 C LYS A 20 -15.007 18.597 -18.744 1.00 0.00 C ATOM 267 O LYS A 20 -15.267 19.482 -19.561 1.00 0.00 O ATOM 268 CB LYS A 20 -16.485 17.891 -16.853 1.00 0.00 C ATOM 269 CG LYS A 20 -17.888 17.421 -16.513 1.00 0.00 C ATOM 270 CD LYS A 20 -17.887 15.998 -15.981 1.00 0.00 C ATOM 271 CE LYS A 20 -19.219 15.641 -15.340 1.00 0.00 C ATOM 272 NZ LYS A 20 -19.233 15.948 -13.883 1.00 0.00 N ATOM 0 H LYS A 20 -15.749 15.655 -17.601 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.947 17.720 -18.946 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.776 17.407 -16.181 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.416 18.963 -16.671 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.326 18.088 -15.770 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.517 17.478 -17.402 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -17.676 15.304 -16.795 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.087 15.883 -15.249 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -20.019 16.191 -15.835 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -19.421 14.580 -15.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -20.158 15.691 -13.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -18.486 15.404 -13.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -19.065 16.964 -13.741 1.00 0.00 H new ATOM 286 N THR A 21 -13.803 18.444 -18.202 1.00 0.00 N ATOM 287 CA THR A 21 -12.694 19.327 -18.543 1.00 0.00 C ATOM 288 C THR A 21 -11.914 18.793 -19.739 1.00 0.00 C ATOM 289 O THR A 21 -10.709 19.020 -19.859 1.00 0.00 O ATOM 290 CB THR A 21 -11.731 19.504 -17.354 1.00 0.00 C ATOM 291 OG1 THR A 21 -11.153 18.243 -16.999 1.00 0.00 O ATOM 292 CG2 THR A 21 -12.457 20.090 -16.152 1.00 0.00 C ATOM 0 H THR A 21 -13.571 17.717 -17.525 1.00 0.00 H new ATOM 0 HA THR A 21 -13.127 20.294 -18.798 1.00 0.00 H new ATOM 0 HB THR A 21 -10.942 20.193 -17.654 1.00 0.00 H new ATOM 0 HG1 THR A 21 -11.599 17.527 -17.498 1.00 0.00 H new ATOM 0 HG21 THR A 21 -11.757 20.206 -15.325 1.00 0.00 H new ATOM 0 HG22 THR A 21 -12.871 21.063 -16.416 1.00 0.00 H new ATOM 0 HG23 THR A 21 -13.264 19.421 -15.853 1.00 0.00 H new ATOM 300 N LYS A 22 -12.607 18.084 -20.623 1.00 0.00 N ATOM 301 CA LYS A 22 -11.980 17.519 -21.812 1.00 0.00 C ATOM 302 C LYS A 22 -10.598 16.961 -21.485 1.00 0.00 C ATOM 303 O LYS A 22 -9.730 16.880 -22.354 1.00 0.00 O ATOM 304 CB LYS A 22 -11.867 18.581 -22.908 1.00 0.00 C ATOM 305 CG LYS A 22 -13.192 19.235 -23.260 1.00 0.00 C ATOM 306 CD LYS A 22 -13.477 20.433 -22.369 1.00 0.00 C ATOM 307 CE LYS A 22 -14.647 21.251 -22.893 1.00 0.00 C ATOM 308 NZ LYS A 22 -14.874 22.478 -22.080 1.00 0.00 N ATOM 0 H LYS A 22 -13.604 17.887 -20.539 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.607 16.702 -22.170 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.166 19.351 -22.586 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.448 18.123 -23.804 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -13.177 19.552 -24.303 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.996 18.506 -23.160 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.695 20.092 -21.357 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.589 21.063 -22.309 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -14.459 21.532 -23.929 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -15.549 20.639 -22.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -15.680 23.008 -22.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -15.079 22.210 -21.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.022 23.074 -22.106 1.00 0.00 H new ATOM 322 N ASN A 23 -10.402 16.577 -20.228 1.00 0.00 N ATOM 323 CA ASN A 23 -9.125 16.026 -19.788 1.00 0.00 C ATOM 324 C ASN A 23 -9.329 14.712 -19.040 1.00 0.00 C ATOM 325 O ASN A 23 -9.881 14.693 -17.939 1.00 0.00 O ATOM 326 CB ASN A 23 -8.395 17.029 -18.891 1.00 0.00 C ATOM 327 CG ASN A 23 -8.258 18.392 -19.541 1.00 0.00 C ATOM 328 OD1 ASN A 23 -8.095 18.499 -20.757 1.00 0.00 O ATOM 329 ND2 ASN A 23 -8.323 19.442 -18.731 1.00 0.00 N ATOM 0 H ASN A 23 -11.110 16.637 -19.496 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.518 15.830 -20.672 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -8.935 17.131 -17.950 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.405 16.643 -18.650 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.237 20.385 -19.110 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.459 19.306 -17.729 1.00 0.00 H new ATOM 336 N ILE A 24 -8.881 13.618 -19.644 1.00 0.00 N ATOM 337 CA ILE A 24 -9.012 12.300 -19.035 1.00 0.00 C ATOM 338 C ILE A 24 -7.761 11.933 -18.244 1.00 0.00 C ATOM 339 O ILE A 24 -6.632 12.154 -18.682 1.00 0.00 O ATOM 340 CB ILE A 24 -9.274 11.213 -20.094 1.00 0.00 C ATOM 341 CG1 ILE A 24 -10.465 11.602 -20.972 1.00 0.00 C ATOM 342 CG2 ILE A 24 -9.519 9.869 -19.425 1.00 0.00 C ATOM 343 CD1 ILE A 24 -11.721 11.906 -20.186 1.00 0.00 C ATOM 0 H ILE A 24 -8.423 13.617 -20.556 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.865 12.349 -18.359 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.392 11.125 -20.729 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.198 12.476 -21.567 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -10.671 10.791 -21.671 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.703 9.111 -20.187 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.644 9.589 -18.839 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.387 9.942 -18.769 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.524 12.174 -20.873 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.013 11.026 -19.612 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.533 12.737 -19.506 1.00 0.00 H new ATOM 355 N PRO A 25 -7.964 11.357 -17.050 1.00 0.00 N ATOM 356 CA PRO A 25 -6.864 10.944 -16.173 1.00 0.00 C ATOM 357 C PRO A 25 -6.097 9.749 -16.728 1.00 0.00 C ATOM 358 O PRO A 25 -6.627 8.641 -16.810 1.00 0.00 O ATOM 359 CB PRO A 25 -7.573 10.566 -14.870 1.00 0.00 C ATOM 360 CG PRO A 25 -8.954 10.191 -15.284 1.00 0.00 C ATOM 361 CD PRO A 25 -9.283 11.063 -16.464 1.00 0.00 C ATOM 0 HA PRO A 25 -6.118 11.730 -16.056 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.070 9.737 -14.372 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.583 11.400 -14.169 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.008 9.136 -15.551 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.662 10.351 -14.471 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.933 10.550 -17.174 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.799 11.973 -16.159 1.00 0.00 H new ATOM 369 N VAL A 26 -4.845 9.981 -17.110 1.00 0.00 N ATOM 370 CA VAL A 26 -4.004 8.923 -17.657 1.00 0.00 C ATOM 371 C VAL A 26 -3.461 8.026 -16.550 1.00 0.00 C ATOM 372 O VAL A 26 -3.249 8.472 -15.422 1.00 0.00 O ATOM 373 CB VAL A 26 -2.823 9.503 -18.458 1.00 0.00 C ATOM 374 CG1 VAL A 26 -3.319 10.501 -19.493 1.00 0.00 C ATOM 375 CG2 VAL A 26 -1.811 10.149 -17.524 1.00 0.00 C ATOM 0 H VAL A 26 -4.391 10.892 -17.051 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.631 8.333 -18.325 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.328 8.687 -18.984 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.471 10.900 -20.049 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.002 10.003 -20.181 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.840 11.316 -18.992 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.984 10.553 -18.107 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.291 10.955 -16.969 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.432 9.403 -16.826 1.00 0.00 H new ATOM 385 N TYR A 27 -3.237 6.759 -16.881 1.00 0.00 N ATOM 386 CA TYR A 27 -2.720 5.797 -15.914 1.00 0.00 C ATOM 387 C TYR A 27 -1.571 4.989 -16.511 1.00 0.00 C ATOM 388 O TYR A 27 -1.786 4.103 -17.337 1.00 0.00 O ATOM 389 CB TYR A 27 -3.835 4.856 -15.454 1.00 0.00 C ATOM 390 CG TYR A 27 -4.865 5.524 -14.571 1.00 0.00 C ATOM 391 CD1 TYR A 27 -5.884 6.292 -15.119 1.00 0.00 C ATOM 392 CD2 TYR A 27 -4.818 5.386 -13.189 1.00 0.00 C ATOM 393 CE1 TYR A 27 -6.827 6.905 -14.316 1.00 0.00 C ATOM 394 CE2 TYR A 27 -5.757 5.993 -12.379 1.00 0.00 C ATOM 395 CZ TYR A 27 -6.759 6.752 -12.947 1.00 0.00 C ATOM 396 OH TYR A 27 -7.697 7.360 -12.143 1.00 0.00 O ATOM 0 H TYR A 27 -3.405 6.374 -17.811 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.343 6.351 -15.054 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.334 4.441 -16.330 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -3.393 4.019 -14.913 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -5.940 6.412 -16.191 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.034 4.794 -12.741 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.612 7.500 -14.758 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -5.707 5.874 -11.307 1.00 0.00 H new ATOM 0 HH TYR A 27 -8.557 6.900 -12.238 1.00 0.00 H new ATOM 406 N GLU A 28 -0.352 5.303 -16.084 1.00 0.00 N ATOM 407 CA GLU A 28 0.831 4.607 -16.576 1.00 0.00 C ATOM 408 C GLU A 28 1.613 3.982 -15.424 1.00 0.00 C ATOM 409 O GLU A 28 1.785 4.597 -14.371 1.00 0.00 O ATOM 410 CB GLU A 28 1.731 5.570 -17.354 1.00 0.00 C ATOM 411 CG GLU A 28 2.637 4.879 -18.359 1.00 0.00 C ATOM 412 CD GLU A 28 3.830 4.210 -17.705 1.00 0.00 C ATOM 413 OE1 GLU A 28 4.672 4.929 -17.127 1.00 0.00 O ATOM 414 OE2 GLU A 28 3.921 2.966 -17.770 1.00 0.00 O ATOM 0 H GLU A 28 -0.158 6.034 -15.399 1.00 0.00 H new ATOM 0 HA GLU A 28 0.501 3.811 -17.243 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.107 6.294 -17.878 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.345 6.130 -16.649 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.062 4.133 -18.908 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.989 5.609 -19.088 1.00 0.00 H new ATOM 421 N CYS A 29 2.082 2.757 -15.632 1.00 0.00 N ATOM 422 CA CYS A 29 2.845 2.047 -14.611 1.00 0.00 C ATOM 423 C CYS A 29 4.334 2.348 -14.737 1.00 0.00 C ATOM 424 O CYS A 29 4.955 2.041 -15.755 1.00 0.00 O ATOM 425 CB CYS A 29 2.605 0.540 -14.722 1.00 0.00 C ATOM 426 SG CYS A 29 3.044 -0.161 -16.330 1.00 0.00 S ATOM 0 H CYS A 29 1.948 2.235 -16.498 1.00 0.00 H new ATOM 0 HA CYS A 29 2.506 2.391 -13.634 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.181 0.033 -13.947 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.553 0.335 -14.523 1.00 0.00 H new ATOM 0 HG CYS A 29 4.083 0.460 -16.805 1.00 0.00 H new ATOM 432 N GLU A 30 4.901 2.951 -13.697 1.00 0.00 N ATOM 433 CA GLU A 30 6.318 3.296 -13.693 1.00 0.00 C ATOM 434 C GLU A 30 7.162 2.124 -13.199 1.00 0.00 C ATOM 435 O GLU A 30 7.965 1.565 -13.947 1.00 0.00 O ATOM 436 CB GLU A 30 6.565 4.523 -12.813 1.00 0.00 C ATOM 437 CG GLU A 30 5.808 5.760 -13.267 1.00 0.00 C ATOM 438 CD GLU A 30 6.393 7.041 -12.705 1.00 0.00 C ATOM 439 OE1 GLU A 30 6.485 7.156 -11.465 1.00 0.00 O ATOM 440 OE2 GLU A 30 6.759 7.928 -13.504 1.00 0.00 O ATOM 0 H GLU A 30 4.401 3.211 -12.847 1.00 0.00 H new ATOM 0 HA GLU A 30 6.612 3.527 -14.717 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.279 4.288 -11.788 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.632 4.744 -12.803 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.817 5.808 -14.356 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.765 5.676 -12.961 1.00 0.00 H new ATOM 447 N ARG A 31 6.973 1.758 -11.936 1.00 0.00 N ATOM 448 CA ARG A 31 7.718 0.654 -11.341 1.00 0.00 C ATOM 449 C ARG A 31 6.844 -0.592 -11.227 1.00 0.00 C ATOM 450 O ARG A 31 5.739 -0.539 -10.688 1.00 0.00 O ATOM 451 CB ARG A 31 8.242 1.051 -9.960 1.00 0.00 C ATOM 452 CG ARG A 31 9.610 1.713 -9.995 1.00 0.00 C ATOM 453 CD ARG A 31 9.510 3.176 -10.397 1.00 0.00 C ATOM 454 NE ARG A 31 10.664 3.949 -9.944 1.00 0.00 N ATOM 455 CZ ARG A 31 11.012 5.122 -10.461 1.00 0.00 C ATOM 456 NH1 ARG A 31 10.299 5.655 -11.444 1.00 0.00 N ATOM 457 NH2 ARG A 31 12.075 5.764 -9.995 1.00 0.00 N ATOM 0 H ARG A 31 6.311 2.209 -11.305 1.00 0.00 H new ATOM 0 HA ARG A 31 8.563 0.426 -11.991 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.530 1.731 -9.492 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.294 0.162 -9.331 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.078 1.635 -9.014 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.254 1.184 -10.698 1.00 0.00 H new ATOM 0 HD2 ARG A 31 9.428 3.249 -11.481 1.00 0.00 H new ATOM 0 HD3 ARG A 31 8.600 3.605 -9.979 1.00 0.00 H new ATOM 0 HE ARG A 31 11.234 3.567 -9.189 1.00 0.00 H new ATOM 0 HH11 ARG A 31 9.481 5.164 -11.805 1.00 0.00 H new ATOM 0 HH12 ARG A 31 10.569 6.556 -11.839 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.626 5.357 -9.239 1.00 0.00 H new ATOM 0 HH22 ARG A 31 12.342 6.665 -10.393 1.00 0.00 H new ATOM 471 N SER A 32 7.348 -1.710 -11.738 1.00 0.00 N ATOM 472 CA SER A 32 6.612 -2.968 -11.697 1.00 0.00 C ATOM 473 C SER A 32 7.484 -4.090 -11.140 1.00 0.00 C ATOM 474 O SER A 32 8.357 -4.615 -11.832 1.00 0.00 O ATOM 475 CB SER A 32 6.117 -3.339 -13.096 1.00 0.00 C ATOM 476 OG SER A 32 5.560 -4.642 -13.111 1.00 0.00 O ATOM 0 H SER A 32 8.263 -1.771 -12.185 1.00 0.00 H new ATOM 0 HA SER A 32 5.754 -2.837 -11.038 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.369 -2.617 -13.424 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.944 -3.285 -13.804 1.00 0.00 H new ATOM 0 HG SER A 32 4.584 -4.581 -13.053 1.00 0.00 H new ATOM 482 N ASP A 33 7.241 -4.452 -9.885 1.00 0.00 N ATOM 483 CA ASP A 33 8.002 -5.511 -9.234 1.00 0.00 C ATOM 484 C ASP A 33 7.094 -6.676 -8.850 1.00 0.00 C ATOM 485 O ASP A 33 6.081 -6.490 -8.176 1.00 0.00 O ATOM 486 CB ASP A 33 8.711 -4.970 -7.991 1.00 0.00 C ATOM 487 CG ASP A 33 10.092 -4.429 -8.302 1.00 0.00 C ATOM 488 OD1 ASP A 33 11.002 -5.243 -8.568 1.00 0.00 O ATOM 489 OD2 ASP A 33 10.264 -3.193 -8.281 1.00 0.00 O ATOM 0 H ASP A 33 6.523 -4.027 -9.298 1.00 0.00 H new ATOM 0 HA ASP A 33 8.749 -5.873 -9.940 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.106 -4.180 -7.546 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.794 -5.764 -7.249 1.00 0.00 H new ATOM 494 N VAL A 34 7.464 -7.876 -9.285 1.00 0.00 N ATOM 495 CA VAL A 34 6.683 -9.071 -8.987 1.00 0.00 C ATOM 496 C VAL A 34 7.464 -10.029 -8.095 1.00 0.00 C ATOM 497 O VAL A 34 8.406 -10.682 -8.544 1.00 0.00 O ATOM 498 CB VAL A 34 6.270 -9.807 -10.275 1.00 0.00 C ATOM 499 CG1 VAL A 34 5.220 -9.009 -11.033 1.00 0.00 C ATOM 500 CG2 VAL A 34 7.486 -10.071 -11.150 1.00 0.00 C ATOM 0 H VAL A 34 8.299 -8.047 -9.845 1.00 0.00 H new ATOM 0 HA VAL A 34 5.786 -8.741 -8.463 1.00 0.00 H new ATOM 0 HB VAL A 34 5.833 -10.767 -10.000 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.941 -9.545 -11.940 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.340 -8.876 -10.404 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.626 -8.033 -11.299 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.176 -10.592 -12.056 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.954 -9.124 -11.418 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.200 -10.687 -10.604 1.00 0.00 H new ATOM 510 N GLN A 35 7.065 -10.109 -6.830 1.00 0.00 N ATOM 511 CA GLN A 35 7.729 -10.989 -5.874 1.00 0.00 C ATOM 512 C GLN A 35 6.715 -11.869 -5.150 1.00 0.00 C ATOM 513 O GLN A 35 6.978 -13.041 -4.880 1.00 0.00 O ATOM 514 CB GLN A 35 8.525 -10.167 -4.860 1.00 0.00 C ATOM 515 CG GLN A 35 9.630 -9.332 -5.487 1.00 0.00 C ATOM 516 CD GLN A 35 10.366 -8.480 -4.471 1.00 0.00 C ATOM 517 OE1 GLN A 35 11.447 -8.842 -4.007 1.00 0.00 O ATOM 518 NE2 GLN A 35 9.782 -7.340 -4.121 1.00 0.00 N ATOM 0 H GLN A 35 6.286 -9.576 -6.443 1.00 0.00 H new ATOM 0 HA GLN A 35 8.414 -11.633 -6.426 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.843 -9.508 -4.324 1.00 0.00 H new ATOM 0 HB3 GLN A 35 8.963 -10.840 -4.123 1.00 0.00 H new ATOM 0 HG2 GLN A 35 10.340 -9.992 -5.985 1.00 0.00 H new ATOM 0 HG3 GLN A 35 9.202 -8.687 -6.254 1.00 0.00 H new ATOM 0 HE21 GLN A 35 8.885 -7.079 -4.531 1.00 0.00 H new ATOM 0 HE22 GLN A 35 10.230 -6.725 -3.442 1.00 0.00 H new ATOM 527 N ILE A 36 5.558 -11.295 -4.837 1.00 0.00 N ATOM 528 CA ILE A 36 4.505 -12.028 -4.145 1.00 0.00 C ATOM 529 C ILE A 36 3.221 -12.053 -4.966 1.00 0.00 C ATOM 530 O ILE A 36 3.085 -11.323 -5.949 1.00 0.00 O ATOM 531 CB ILE A 36 4.207 -11.415 -2.764 1.00 0.00 C ATOM 532 CG1 ILE A 36 3.715 -9.974 -2.918 1.00 0.00 C ATOM 533 CG2 ILE A 36 5.446 -11.466 -1.883 1.00 0.00 C ATOM 534 CD1 ILE A 36 4.821 -8.985 -3.211 1.00 0.00 C ATOM 0 H ILE A 36 5.326 -10.325 -5.052 1.00 0.00 H new ATOM 0 HA ILE A 36 4.866 -13.048 -4.011 1.00 0.00 H new ATOM 0 HB ILE A 36 3.421 -11.999 -2.285 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.980 -9.934 -3.722 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.203 -9.674 -2.004 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.219 -11.029 -0.911 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.757 -12.503 -1.752 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.251 -10.903 -2.355 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.399 -7.985 -3.307 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.545 -8.996 -2.396 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.318 -9.260 -4.141 1.00 0.00 H new ATOM 546 N HIS A 37 2.278 -12.896 -4.556 1.00 0.00 N ATOM 547 CA HIS A 37 1.002 -13.014 -5.252 1.00 0.00 C ATOM 548 C HIS A 37 0.527 -11.652 -5.750 1.00 0.00 C ATOM 549 O HIS A 37 0.149 -11.502 -6.912 1.00 0.00 O ATOM 550 CB HIS A 37 -0.051 -13.629 -4.330 1.00 0.00 C ATOM 551 CG HIS A 37 -0.082 -13.016 -2.964 1.00 0.00 C ATOM 552 ND1 HIS A 37 -1.067 -12.144 -2.552 1.00 0.00 N ATOM 553 CD2 HIS A 37 0.758 -13.156 -1.912 1.00 0.00 C ATOM 554 CE1 HIS A 37 -0.831 -11.772 -1.307 1.00 0.00 C ATOM 555 NE2 HIS A 37 0.271 -12.372 -0.895 1.00 0.00 N ATOM 0 H HIS A 37 2.374 -13.507 -3.745 1.00 0.00 H new ATOM 0 HA HIS A 37 1.145 -13.666 -6.113 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -1.033 -13.521 -4.790 1.00 0.00 H new ATOM 0 HB3 HIS A 37 0.140 -14.698 -4.235 1.00 0.00 H new ATOM 0 HD2 HIS A 37 1.646 -13.770 -1.879 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -1.436 -11.093 -0.725 1.00 0.00 H new ATOM 0 HE2 HIS A 37 0.692 -12.270 0.028 1.00 0.00 H new ATOM 563 N VAL A 38 0.548 -10.663 -4.863 1.00 0.00 N ATOM 564 CA VAL A 38 0.120 -9.313 -5.212 1.00 0.00 C ATOM 565 C VAL A 38 1.317 -8.384 -5.381 1.00 0.00 C ATOM 566 O VAL A 38 1.890 -7.886 -4.412 1.00 0.00 O ATOM 567 CB VAL A 38 -0.823 -8.730 -4.143 1.00 0.00 C ATOM 568 CG1 VAL A 38 -0.220 -8.888 -2.755 1.00 0.00 C ATOM 569 CG2 VAL A 38 -1.123 -7.268 -4.439 1.00 0.00 C ATOM 0 H VAL A 38 0.857 -10.771 -3.897 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.416 -9.385 -6.158 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.762 -9.283 -4.170 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.900 -8.470 -2.013 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.060 -9.946 -2.546 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.733 -8.361 -2.710 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.791 -6.871 -3.674 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.193 -6.699 -4.440 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.600 -7.185 -5.415 1.00 0.00 H new ATOM 579 N PRO A 39 1.704 -8.141 -6.642 1.00 0.00 N ATOM 580 CA PRO A 39 2.835 -7.269 -6.969 1.00 0.00 C ATOM 581 C PRO A 39 2.540 -5.802 -6.674 1.00 0.00 C ATOM 582 O PRO A 39 1.473 -5.463 -6.160 1.00 0.00 O ATOM 583 CB PRO A 39 3.027 -7.484 -8.472 1.00 0.00 C ATOM 584 CG PRO A 39 1.689 -7.914 -8.967 1.00 0.00 C ATOM 585 CD PRO A 39 1.067 -8.700 -7.846 1.00 0.00 C ATOM 0 HA PRO A 39 3.717 -7.507 -6.375 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.356 -6.569 -8.964 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.785 -8.242 -8.670 1.00 0.00 H new ATOM 0 HG2 PRO A 39 1.074 -7.053 -9.228 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.783 -8.523 -9.866 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -0.016 -8.577 -7.822 1.00 0.00 H new ATOM 0 HD3 PRO A 39 1.264 -9.767 -7.946 1.00 0.00 H new ATOM 593 N THR A 40 3.492 -4.934 -7.002 1.00 0.00 N ATOM 594 CA THR A 40 3.335 -3.503 -6.772 1.00 0.00 C ATOM 595 C THR A 40 3.476 -2.718 -8.070 1.00 0.00 C ATOM 596 O THR A 40 4.547 -2.692 -8.678 1.00 0.00 O ATOM 597 CB THR A 40 4.367 -2.981 -5.754 1.00 0.00 C ATOM 598 OG1 THR A 40 5.689 -3.115 -6.285 1.00 0.00 O ATOM 599 CG2 THR A 40 4.263 -3.740 -4.440 1.00 0.00 C ATOM 0 H THR A 40 4.381 -5.197 -7.428 1.00 0.00 H new ATOM 0 HA THR A 40 2.333 -3.356 -6.370 1.00 0.00 H new ATOM 0 HB THR A 40 4.157 -1.928 -5.564 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.649 -3.120 -7.264 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.001 -3.354 -3.737 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.264 -3.611 -4.024 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.449 -4.799 -4.616 1.00 0.00 H new ATOM 607 N PHE A 41 2.390 -2.079 -8.492 1.00 0.00 N ATOM 608 CA PHE A 41 2.394 -1.292 -9.720 1.00 0.00 C ATOM 609 C PHE A 41 2.165 0.186 -9.419 1.00 0.00 C ATOM 610 O PHE A 41 1.092 0.580 -8.960 1.00 0.00 O ATOM 611 CB PHE A 41 1.317 -1.802 -10.680 1.00 0.00 C ATOM 612 CG PHE A 41 1.695 -3.074 -11.383 1.00 0.00 C ATOM 613 CD1 PHE A 41 1.930 -4.235 -10.665 1.00 0.00 C ATOM 614 CD2 PHE A 41 1.816 -3.109 -12.763 1.00 0.00 C ATOM 615 CE1 PHE A 41 2.277 -5.408 -11.309 1.00 0.00 C ATOM 616 CE2 PHE A 41 2.163 -4.278 -13.413 1.00 0.00 C ATOM 617 CZ PHE A 41 2.395 -5.429 -12.685 1.00 0.00 C ATOM 0 H PHE A 41 1.496 -2.091 -8.002 1.00 0.00 H new ATOM 0 HA PHE A 41 3.371 -1.401 -10.190 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.393 -1.964 -10.124 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.111 -1.033 -11.424 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.841 -4.224 -9.589 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.637 -2.212 -13.337 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.456 -6.307 -10.737 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.253 -4.292 -14.489 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.668 -6.343 -13.191 1.00 0.00 H new ATOM 627 N THR A 42 3.181 1.002 -9.682 1.00 0.00 N ATOM 628 CA THR A 42 3.093 2.436 -9.439 1.00 0.00 C ATOM 629 C THR A 42 2.451 3.155 -10.619 1.00 0.00 C ATOM 630 O THR A 42 3.093 3.380 -11.646 1.00 0.00 O ATOM 631 CB THR A 42 4.482 3.047 -9.173 1.00 0.00 C ATOM 632 OG1 THR A 42 5.064 2.454 -8.007 1.00 0.00 O ATOM 633 CG2 THR A 42 4.383 4.554 -8.987 1.00 0.00 C ATOM 0 H THR A 42 4.075 0.693 -10.064 1.00 0.00 H new ATOM 0 HA THR A 42 2.471 2.569 -8.554 1.00 0.00 H new ATOM 0 HB THR A 42 5.115 2.844 -10.037 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.962 2.820 -7.867 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.376 4.964 -8.800 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.968 5.005 -9.888 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.734 4.774 -8.139 1.00 0.00 H new ATOM 641 N PHE A 43 1.181 3.514 -10.468 1.00 0.00 N ATOM 642 CA PHE A 43 0.451 4.209 -11.523 1.00 0.00 C ATOM 643 C PHE A 43 0.539 5.721 -11.340 1.00 0.00 C ATOM 644 O PHE A 43 0.456 6.227 -10.221 1.00 0.00 O ATOM 645 CB PHE A 43 -1.014 3.769 -11.533 1.00 0.00 C ATOM 646 CG PHE A 43 -1.251 2.490 -12.284 1.00 0.00 C ATOM 647 CD1 PHE A 43 -1.442 2.503 -13.657 1.00 0.00 C ATOM 648 CD2 PHE A 43 -1.282 1.275 -11.618 1.00 0.00 C ATOM 649 CE1 PHE A 43 -1.661 1.327 -14.350 1.00 0.00 C ATOM 650 CE2 PHE A 43 -1.500 0.097 -12.307 1.00 0.00 C ATOM 651 CZ PHE A 43 -1.689 0.123 -13.675 1.00 0.00 C ATOM 0 H PHE A 43 0.635 3.335 -9.625 1.00 0.00 H new ATOM 0 HA PHE A 43 0.907 3.950 -12.478 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.355 3.646 -10.505 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.619 4.559 -11.977 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.419 3.442 -14.191 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.134 1.248 -10.549 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.810 1.350 -15.419 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.523 -0.843 -11.776 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.858 -0.797 -14.215 1.00 0.00 H new ATOM 661 N ARG A 44 0.708 6.436 -12.447 1.00 0.00 N ATOM 662 CA ARG A 44 0.809 7.890 -12.410 1.00 0.00 C ATOM 663 C ARG A 44 -0.431 8.537 -13.020 1.00 0.00 C ATOM 664 O ARG A 44 -0.743 8.322 -14.191 1.00 0.00 O ATOM 665 CB ARG A 44 2.060 8.355 -13.157 1.00 0.00 C ATOM 666 CG ARG A 44 2.364 9.833 -12.975 1.00 0.00 C ATOM 667 CD ARG A 44 3.858 10.108 -13.053 1.00 0.00 C ATOM 668 NE ARG A 44 4.203 11.414 -12.498 1.00 0.00 N ATOM 669 CZ ARG A 44 5.312 12.076 -12.812 1.00 0.00 C ATOM 670 NH1 ARG A 44 6.177 11.557 -13.672 1.00 0.00 N ATOM 671 NH2 ARG A 44 5.556 13.260 -12.265 1.00 0.00 N ATOM 0 H ARG A 44 0.778 6.032 -13.381 1.00 0.00 H new ATOM 0 HA ARG A 44 0.882 8.197 -11.367 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.915 7.772 -12.815 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.937 8.146 -14.220 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.846 10.409 -13.742 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.981 10.168 -12.011 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.399 9.330 -12.513 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.182 10.059 -14.093 1.00 0.00 H new ATOM 0 HE ARG A 44 3.558 11.841 -11.833 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.992 10.647 -14.095 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.027 12.067 -13.911 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.892 13.663 -11.603 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.407 13.768 -12.506 1.00 0.00 H new ATOM 685 N VAL A 45 -1.134 9.329 -12.218 1.00 0.00 N ATOM 686 CA VAL A 45 -2.340 10.008 -12.678 1.00 0.00 C ATOM 687 C VAL A 45 -2.056 11.470 -13.006 1.00 0.00 C ATOM 688 O VAL A 45 -1.633 12.241 -12.144 1.00 0.00 O ATOM 689 CB VAL A 45 -3.461 9.938 -11.624 1.00 0.00 C ATOM 690 CG1 VAL A 45 -3.256 11.000 -10.555 1.00 0.00 C ATOM 691 CG2 VAL A 45 -4.823 10.090 -12.285 1.00 0.00 C ATOM 0 H VAL A 45 -0.889 9.517 -11.246 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.668 9.493 -13.581 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.423 8.961 -11.142 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.058 10.935 -9.819 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.297 10.840 -10.062 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.266 11.987 -11.016 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.604 10.038 -11.526 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.875 11.052 -12.794 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.967 9.288 -13.009 1.00 0.00 H new ATOM 701 N THR A 46 -2.293 11.846 -14.259 1.00 0.00 N ATOM 702 CA THR A 46 -2.063 13.216 -14.702 1.00 0.00 C ATOM 703 C THR A 46 -3.347 13.847 -15.226 1.00 0.00 C ATOM 704 O THR A 46 -3.832 13.492 -16.301 1.00 0.00 O ATOM 705 CB THR A 46 -0.987 13.276 -15.803 1.00 0.00 C ATOM 706 OG1 THR A 46 0.264 12.802 -15.293 1.00 0.00 O ATOM 707 CG2 THR A 46 -0.824 14.697 -16.322 1.00 0.00 C ATOM 0 H THR A 46 -2.644 11.221 -14.985 1.00 0.00 H new ATOM 0 HA THR A 46 -1.715 13.776 -13.834 1.00 0.00 H new ATOM 0 HB THR A 46 -1.306 12.639 -16.628 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.942 12.842 -16.000 1.00 0.00 H new ATOM 0 HG21 THR A 46 -0.059 14.715 -17.098 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.771 15.044 -16.737 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.525 15.351 -15.503 1.00 0.00 H new ATOM 715 N VAL A 47 -3.895 14.786 -14.461 1.00 0.00 N ATOM 716 CA VAL A 47 -5.123 15.469 -14.850 1.00 0.00 C ATOM 717 C VAL A 47 -4.901 16.973 -14.968 1.00 0.00 C ATOM 718 O VAL A 47 -4.807 17.678 -13.965 1.00 0.00 O ATOM 719 CB VAL A 47 -6.255 15.206 -13.839 1.00 0.00 C ATOM 720 CG1 VAL A 47 -7.474 16.054 -14.170 1.00 0.00 C ATOM 721 CG2 VAL A 47 -6.614 13.728 -13.815 1.00 0.00 C ATOM 0 H VAL A 47 -3.508 15.091 -13.568 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.414 15.070 -15.822 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.905 15.488 -12.846 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.263 15.855 -13.445 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.204 17.109 -14.132 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.829 15.806 -15.170 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.415 13.560 -13.095 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.945 13.418 -14.806 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.739 13.146 -13.526 1.00 0.00 H new ATOM 731 N GLY A 48 -4.819 17.458 -16.204 1.00 0.00 N ATOM 732 CA GLY A 48 -4.610 18.876 -16.432 1.00 0.00 C ATOM 733 C GLY A 48 -3.256 19.348 -15.942 1.00 0.00 C ATOM 734 O GLY A 48 -2.261 19.257 -16.662 1.00 0.00 O ATOM 0 H GLY A 48 -4.894 16.894 -17.051 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.701 19.087 -17.498 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.393 19.441 -15.927 1.00 0.00 H new ATOM 738 N ASP A 49 -3.216 19.855 -14.715 1.00 0.00 N ATOM 739 CA ASP A 49 -1.974 20.345 -14.129 1.00 0.00 C ATOM 740 C ASP A 49 -1.573 19.502 -12.922 1.00 0.00 C ATOM 741 O ASP A 49 -0.413 19.506 -12.508 1.00 0.00 O ATOM 742 CB ASP A 49 -2.121 21.810 -13.717 1.00 0.00 C ATOM 743 CG ASP A 49 -0.792 22.537 -13.677 1.00 0.00 C ATOM 744 OD1 ASP A 49 -0.342 23.011 -14.742 1.00 0.00 O ATOM 745 OD2 ASP A 49 -0.200 22.632 -12.582 1.00 0.00 O ATOM 0 H ASP A 49 -4.030 19.937 -14.106 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.190 20.265 -14.882 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.787 22.316 -14.416 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.590 21.863 -12.735 1.00 0.00 H new ATOM 750 N ILE A 50 -2.540 18.783 -12.362 1.00 0.00 N ATOM 751 CA ILE A 50 -2.287 17.936 -11.203 1.00 0.00 C ATOM 752 C ILE A 50 -1.777 16.563 -11.626 1.00 0.00 C ATOM 753 O ILE A 50 -2.375 15.900 -12.475 1.00 0.00 O ATOM 754 CB ILE A 50 -3.556 17.759 -10.348 1.00 0.00 C ATOM 755 CG1 ILE A 50 -4.186 19.120 -10.043 1.00 0.00 C ATOM 756 CG2 ILE A 50 -3.228 17.021 -9.059 1.00 0.00 C ATOM 757 CD1 ILE A 50 -5.668 19.048 -9.751 1.00 0.00 C ATOM 0 H ILE A 50 -3.505 18.770 -12.692 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.524 18.436 -10.607 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.275 17.164 -10.911 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.677 19.564 -9.188 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.023 19.785 -10.891 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.135 16.904 -8.466 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.820 16.038 -9.296 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.494 17.591 -8.490 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -6.047 20.049 -9.544 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.189 18.634 -10.614 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.837 18.409 -8.884 1.00 0.00 H new ATOM 769 N THR A 51 -0.669 16.139 -11.027 1.00 0.00 N ATOM 770 CA THR A 51 -0.078 14.844 -11.340 1.00 0.00 C ATOM 771 C THR A 51 0.307 14.093 -10.071 1.00 0.00 C ATOM 772 O THR A 51 1.211 14.509 -9.343 1.00 0.00 O ATOM 773 CB THR A 51 1.168 14.996 -12.232 1.00 0.00 C ATOM 774 OG1 THR A 51 0.775 15.242 -13.586 1.00 0.00 O ATOM 775 CG2 THR A 51 2.034 13.747 -12.169 1.00 0.00 C ATOM 0 H THR A 51 -0.162 16.674 -10.322 1.00 0.00 H new ATOM 0 HA THR A 51 -0.834 14.274 -11.880 1.00 0.00 H new ATOM 0 HB THR A 51 1.749 15.841 -11.864 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.684 14.389 -14.060 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.908 13.878 -12.807 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.357 13.579 -11.141 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.459 12.888 -12.513 1.00 0.00 H new ATOM 783 N CYS A 52 -0.381 12.988 -9.810 1.00 0.00 N ATOM 784 CA CYS A 52 -0.110 12.179 -8.627 1.00 0.00 C ATOM 785 C CYS A 52 0.321 10.769 -9.019 1.00 0.00 C ATOM 786 O CYS A 52 0.324 10.414 -10.198 1.00 0.00 O ATOM 787 CB CYS A 52 -1.348 12.117 -7.731 1.00 0.00 C ATOM 788 SG CYS A 52 -1.625 13.610 -6.751 1.00 0.00 S ATOM 0 H CYS A 52 -1.131 12.631 -10.402 1.00 0.00 H new ATOM 0 HA CYS A 52 0.705 12.648 -8.076 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -2.225 11.936 -8.353 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -1.253 11.265 -7.057 1.00 0.00 H new ATOM 0 HG CYS A 52 -1.398 13.354 -5.497 1.00 0.00 H new ATOM 794 N THR A 53 0.686 9.969 -8.022 1.00 0.00 N ATOM 795 CA THR A 53 1.121 8.599 -8.262 1.00 0.00 C ATOM 796 C THR A 53 0.716 7.684 -7.112 1.00 0.00 C ATOM 797 O THR A 53 0.721 8.090 -5.951 1.00 0.00 O ATOM 798 CB THR A 53 2.648 8.520 -8.453 1.00 0.00 C ATOM 799 OG1 THR A 53 3.309 8.704 -7.196 1.00 0.00 O ATOM 800 CG2 THR A 53 3.125 9.573 -9.442 1.00 0.00 C ATOM 0 H THR A 53 0.689 10.247 -7.041 1.00 0.00 H new ATOM 0 HA THR A 53 0.630 8.267 -9.177 1.00 0.00 H new ATOM 0 HB THR A 53 2.892 7.535 -8.850 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.279 8.651 -7.326 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.206 9.498 -9.560 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.642 9.412 -10.406 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.869 10.565 -9.069 1.00 0.00 H new ATOM 808 N GLY A 54 0.366 6.444 -7.443 1.00 0.00 N ATOM 809 CA GLY A 54 -0.036 5.490 -6.426 1.00 0.00 C ATOM 810 C GLY A 54 0.849 4.260 -6.403 1.00 0.00 C ATOM 811 O GLY A 54 0.782 3.424 -7.303 1.00 0.00 O ATOM 0 H GLY A 54 0.354 6.084 -8.397 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.008 5.972 -5.449 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.068 5.188 -6.603 1.00 0.00 H new ATOM 815 N GLU A 55 1.680 4.150 -5.372 1.00 0.00 N ATOM 816 CA GLU A 55 2.584 3.014 -5.237 1.00 0.00 C ATOM 817 C GLU A 55 2.274 2.219 -3.972 1.00 0.00 C ATOM 818 O GLU A 55 1.885 2.784 -2.951 1.00 0.00 O ATOM 819 CB GLU A 55 4.038 3.490 -5.210 1.00 0.00 C ATOM 820 CG GLU A 55 5.037 2.379 -4.935 1.00 0.00 C ATOM 821 CD GLU A 55 6.462 2.781 -5.264 1.00 0.00 C ATOM 822 OE1 GLU A 55 7.045 3.577 -4.498 1.00 0.00 O ATOM 823 OE2 GLU A 55 6.993 2.300 -6.287 1.00 0.00 O ATOM 0 H GLU A 55 1.746 4.834 -4.618 1.00 0.00 H new ATOM 0 HA GLU A 55 2.439 2.363 -6.099 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.277 3.954 -6.167 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.145 4.261 -4.447 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.977 2.094 -3.885 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.767 1.500 -5.520 1.00 0.00 H new ATOM 830 N GLY A 56 2.449 0.903 -4.049 1.00 0.00 N ATOM 831 CA GLY A 56 2.183 0.051 -2.905 1.00 0.00 C ATOM 832 C GLY A 56 1.607 -1.293 -3.304 1.00 0.00 C ATOM 833 O GLY A 56 2.039 -2.334 -2.807 1.00 0.00 O ATOM 0 H GLY A 56 2.770 0.412 -4.883 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.107 -0.104 -2.349 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.488 0.556 -2.234 1.00 0.00 H new ATOM 837 N THR A 57 0.628 -1.273 -4.202 1.00 0.00 N ATOM 838 CA THR A 57 -0.010 -2.498 -4.666 1.00 0.00 C ATOM 839 C THR A 57 -0.172 -2.495 -6.182 1.00 0.00 C ATOM 840 O THR A 57 0.251 -1.558 -6.858 1.00 0.00 O ATOM 841 CB THR A 57 -1.392 -2.694 -4.014 1.00 0.00 C ATOM 842 OG1 THR A 57 -1.412 -2.086 -2.718 1.00 0.00 O ATOM 843 CG2 THR A 57 -1.728 -4.172 -3.892 1.00 0.00 C ATOM 0 H THR A 57 0.259 -0.420 -4.623 1.00 0.00 H new ATOM 0 HA THR A 57 0.641 -3.322 -4.375 1.00 0.00 H new ATOM 0 HB THR A 57 -2.140 -2.219 -4.649 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.606 -2.767 -2.040 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.708 -4.285 -3.429 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.740 -4.625 -4.883 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.977 -4.666 -3.276 1.00 0.00 H new ATOM 851 N SER A 58 -0.787 -3.549 -6.709 1.00 0.00 N ATOM 852 CA SER A 58 -1.001 -3.668 -8.146 1.00 0.00 C ATOM 853 C SER A 58 -2.287 -2.961 -8.564 1.00 0.00 C ATOM 854 O SER A 58 -2.976 -2.360 -7.739 1.00 0.00 O ATOM 855 CB SER A 58 -1.060 -5.142 -8.554 1.00 0.00 C ATOM 856 OG SER A 58 -0.789 -5.300 -9.936 1.00 0.00 O ATOM 0 H SER A 58 -1.146 -4.332 -6.163 1.00 0.00 H new ATOM 0 HA SER A 58 -0.163 -3.191 -8.654 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.338 -5.713 -7.971 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.046 -5.547 -8.325 1.00 0.00 H new ATOM 0 HG SER A 58 0.177 -5.235 -10.090 1.00 0.00 H new ATOM 862 N LYS A 59 -2.606 -3.038 -9.852 1.00 0.00 N ATOM 863 CA LYS A 59 -3.809 -2.408 -10.382 1.00 0.00 C ATOM 864 C LYS A 59 -4.951 -2.482 -9.373 1.00 0.00 C ATOM 865 O LYS A 59 -5.826 -1.616 -9.346 1.00 0.00 O ATOM 866 CB LYS A 59 -4.227 -3.080 -11.692 1.00 0.00 C ATOM 867 CG LYS A 59 -3.210 -2.920 -12.809 1.00 0.00 C ATOM 868 CD LYS A 59 -3.241 -4.101 -13.765 1.00 0.00 C ATOM 869 CE LYS A 59 -1.893 -4.309 -14.437 1.00 0.00 C ATOM 870 NZ LYS A 59 -1.010 -5.208 -13.643 1.00 0.00 N ATOM 0 H LYS A 59 -2.047 -3.531 -10.548 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.585 -1.359 -10.575 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.390 -4.142 -11.510 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.180 -2.662 -12.017 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.413 -2.001 -13.358 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.212 -2.822 -12.382 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.521 -5.003 -13.221 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.006 -3.936 -14.524 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.044 -4.733 -15.430 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.402 -3.345 -14.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.045 -4.820 -13.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.372 -5.280 -12.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.996 -6.153 -14.078 1.00 0.00 H new ATOM 884 N LYS A 60 -4.937 -3.521 -8.545 1.00 0.00 N ATOM 885 CA LYS A 60 -5.969 -3.707 -7.533 1.00 0.00 C ATOM 886 C LYS A 60 -6.153 -2.440 -6.704 1.00 0.00 C ATOM 887 O LYS A 60 -7.161 -1.742 -6.832 1.00 0.00 O ATOM 888 CB LYS A 60 -5.610 -4.880 -6.618 1.00 0.00 C ATOM 889 CG LYS A 60 -6.820 -5.611 -6.062 1.00 0.00 C ATOM 890 CD LYS A 60 -6.516 -7.078 -5.806 1.00 0.00 C ATOM 891 CE LYS A 60 -6.459 -7.870 -7.102 1.00 0.00 C ATOM 892 NZ LYS A 60 -5.602 -9.081 -6.975 1.00 0.00 N ATOM 0 H LYS A 60 -4.221 -4.248 -8.555 1.00 0.00 H new ATOM 0 HA LYS A 60 -6.907 -3.926 -8.043 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.992 -5.587 -7.173 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.006 -4.511 -5.789 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.138 -5.137 -5.133 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.651 -5.527 -6.763 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.565 -7.167 -5.282 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.280 -7.500 -5.154 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.467 -8.167 -7.390 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.074 -7.234 -7.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -5.589 -9.594 -7.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.634 -8.796 -6.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.984 -9.700 -6.232 1.00 0.00 H new ATOM 906 N LEU A 61 -5.175 -2.147 -5.855 1.00 0.00 N ATOM 907 CA LEU A 61 -5.228 -0.962 -5.005 1.00 0.00 C ATOM 908 C LEU A 61 -4.498 0.208 -5.657 1.00 0.00 C ATOM 909 O LEU A 61 -5.051 1.299 -5.794 1.00 0.00 O ATOM 910 CB LEU A 61 -4.614 -1.263 -3.637 1.00 0.00 C ATOM 911 CG LEU A 61 -3.931 -0.089 -2.935 1.00 0.00 C ATOM 912 CD1 LEU A 61 -4.763 1.177 -3.080 1.00 0.00 C ATOM 913 CD2 LEU A 61 -3.696 -0.409 -1.466 1.00 0.00 C ATOM 0 H LEU A 61 -4.335 -2.713 -5.736 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.274 -0.686 -4.873 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.400 -1.643 -2.984 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.884 -2.063 -3.757 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.964 0.080 -3.409 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.261 2.002 -2.574 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.880 1.417 -4.137 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.745 1.020 -2.633 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.209 0.438 -0.983 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.651 -0.605 -0.979 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.059 -1.290 -1.383 1.00 0.00 H new ATOM 925 N ALA A 62 -3.253 -0.027 -6.057 1.00 0.00 N ATOM 926 CA ALA A 62 -2.449 1.006 -6.698 1.00 0.00 C ATOM 927 C ALA A 62 -3.321 1.952 -7.516 1.00 0.00 C ATOM 928 O ALA A 62 -3.227 3.172 -7.381 1.00 0.00 O ATOM 929 CB ALA A 62 -1.382 0.373 -7.580 1.00 0.00 C ATOM 0 H ALA A 62 -2.779 -0.924 -5.948 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.961 1.588 -5.917 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.789 1.156 -8.053 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.733 -0.256 -6.971 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.859 -0.235 -8.349 1.00 0.00 H new ATOM 935 N LYS A 63 -4.168 1.382 -8.366 1.00 0.00 N ATOM 936 CA LYS A 63 -5.058 2.175 -9.206 1.00 0.00 C ATOM 937 C LYS A 63 -5.979 3.044 -8.356 1.00 0.00 C ATOM 938 O LYS A 63 -6.057 4.258 -8.550 1.00 0.00 O ATOM 939 CB LYS A 63 -5.892 1.260 -10.107 1.00 0.00 C ATOM 940 CG LYS A 63 -6.290 1.902 -11.424 1.00 0.00 C ATOM 941 CD LYS A 63 -5.213 1.721 -12.481 1.00 0.00 C ATOM 942 CE LYS A 63 -5.576 2.435 -13.774 1.00 0.00 C ATOM 943 NZ LYS A 63 -6.535 1.643 -14.594 1.00 0.00 N ATOM 0 H LYS A 63 -4.257 0.374 -8.492 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.444 2.827 -9.828 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.326 0.352 -10.312 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.793 0.960 -9.572 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.224 1.463 -11.776 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.475 2.965 -11.270 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.265 2.106 -12.105 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.070 0.659 -12.678 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.012 3.407 -13.542 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.671 2.622 -14.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.758 2.163 -15.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.109 0.726 -14.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.409 1.487 -14.052 1.00 0.00 H new ATOM 957 N HIS A 64 -6.674 2.416 -7.413 1.00 0.00 N ATOM 958 CA HIS A 64 -7.587 3.134 -6.531 1.00 0.00 C ATOM 959 C HIS A 64 -6.905 4.352 -5.916 1.00 0.00 C ATOM 960 O HIS A 64 -7.505 5.422 -5.805 1.00 0.00 O ATOM 961 CB HIS A 64 -8.095 2.208 -5.425 1.00 0.00 C ATOM 962 CG HIS A 64 -9.484 2.529 -4.966 1.00 0.00 C ATOM 963 ND1 HIS A 64 -10.615 2.080 -5.615 1.00 0.00 N ATOM 964 CD2 HIS A 64 -9.921 3.259 -3.913 1.00 0.00 C ATOM 965 CE1 HIS A 64 -11.687 2.521 -4.982 1.00 0.00 C ATOM 966 NE2 HIS A 64 -11.294 3.239 -3.946 1.00 0.00 N ATOM 0 H HIS A 64 -6.622 1.412 -7.240 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.433 3.476 -7.127 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -8.068 1.179 -5.783 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -7.417 2.267 -4.573 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -9.305 3.763 -3.183 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -12.711 2.327 -5.264 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -11.910 3.703 -3.279 1.00 0.00 H new ATOM 974 N ARG A 65 -5.648 4.183 -5.519 1.00 0.00 N ATOM 975 CA ARG A 65 -4.885 5.268 -4.914 1.00 0.00 C ATOM 976 C ARG A 65 -4.577 6.354 -5.941 1.00 0.00 C ATOM 977 O ARG A 65 -4.813 7.537 -5.697 1.00 0.00 O ATOM 978 CB ARG A 65 -3.583 4.733 -4.315 1.00 0.00 C ATOM 979 CG ARG A 65 -3.742 4.177 -2.910 1.00 0.00 C ATOM 980 CD ARG A 65 -2.548 3.324 -2.509 1.00 0.00 C ATOM 981 NE ARG A 65 -1.513 4.110 -1.842 1.00 0.00 N ATOM 982 CZ ARG A 65 -0.439 3.577 -1.271 1.00 0.00 C ATOM 983 NH1 ARG A 65 -0.260 2.263 -1.286 1.00 0.00 N ATOM 984 NH2 ARG A 65 0.458 4.358 -0.684 1.00 0.00 N ATOM 0 H ARG A 65 -5.136 3.305 -5.605 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.490 5.704 -4.119 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.189 3.951 -4.964 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.845 5.535 -4.298 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.857 4.999 -2.203 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -4.652 3.580 -2.855 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.880 2.525 -1.846 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.128 2.849 -3.396 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.621 5.124 -1.813 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -0.948 1.660 -1.737 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.566 1.856 -0.847 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.323 5.369 -0.671 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.283 3.948 -0.246 1.00 0.00 H new ATOM 998 N ALA A 66 -4.048 5.943 -7.088 1.00 0.00 N ATOM 999 CA ALA A 66 -3.709 6.880 -8.152 1.00 0.00 C ATOM 1000 C ALA A 66 -4.867 7.830 -8.437 1.00 0.00 C ATOM 1001 O ALA A 66 -4.694 9.048 -8.448 1.00 0.00 O ATOM 1002 CB ALA A 66 -3.320 6.126 -9.415 1.00 0.00 C ATOM 0 H ALA A 66 -3.845 4.967 -7.305 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.858 7.475 -7.820 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.069 6.838 -10.201 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.456 5.493 -9.210 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.155 5.506 -9.740 1.00 0.00 H new ATOM 1008 N ALA A 67 -6.047 7.264 -8.666 1.00 0.00 N ATOM 1009 CA ALA A 67 -7.234 8.062 -8.950 1.00 0.00 C ATOM 1010 C ALA A 67 -7.692 8.824 -7.711 1.00 0.00 C ATOM 1011 O ALA A 67 -8.120 9.974 -7.802 1.00 0.00 O ATOM 1012 CB ALA A 67 -8.355 7.174 -9.469 1.00 0.00 C ATOM 0 H ALA A 67 -6.207 6.257 -8.661 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.976 8.791 -9.719 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.235 7.783 -9.677 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.032 6.678 -10.385 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.602 6.424 -8.718 1.00 0.00 H new ATOM 1018 N GLU A 68 -7.599 8.175 -6.554 1.00 0.00 N ATOM 1019 CA GLU A 68 -8.005 8.793 -5.298 1.00 0.00 C ATOM 1020 C GLU A 68 -7.272 10.114 -5.078 1.00 0.00 C ATOM 1021 O GLU A 68 -7.888 11.135 -4.776 1.00 0.00 O ATOM 1022 CB GLU A 68 -7.735 7.846 -4.127 1.00 0.00 C ATOM 1023 CG GLU A 68 -8.903 6.932 -3.801 1.00 0.00 C ATOM 1024 CD GLU A 68 -8.583 5.948 -2.692 1.00 0.00 C ATOM 1025 OE1 GLU A 68 -7.464 5.394 -2.695 1.00 0.00 O ATOM 1026 OE2 GLU A 68 -9.452 5.732 -1.822 1.00 0.00 O ATOM 0 H GLU A 68 -7.246 7.222 -6.461 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.075 8.996 -5.353 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.861 7.237 -4.358 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.488 8.435 -3.244 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.762 7.536 -3.509 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.190 6.382 -4.697 1.00 0.00 H new ATOM 1033 N ALA A 69 -5.952 10.083 -5.232 1.00 0.00 N ATOM 1034 CA ALA A 69 -5.135 11.276 -5.052 1.00 0.00 C ATOM 1035 C ALA A 69 -5.732 12.468 -5.794 1.00 0.00 C ATOM 1036 O ALA A 69 -6.243 13.402 -5.177 1.00 0.00 O ATOM 1037 CB ALA A 69 -3.712 11.017 -5.526 1.00 0.00 C ATOM 0 H ALA A 69 -5.426 9.245 -5.481 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.115 11.516 -3.989 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.112 11.916 -5.386 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.280 10.199 -4.949 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.723 10.750 -6.583 1.00 0.00 H new ATOM 1043 N ALA A 70 -5.664 12.428 -7.120 1.00 0.00 N ATOM 1044 CA ALA A 70 -6.199 13.504 -7.945 1.00 0.00 C ATOM 1045 C ALA A 70 -7.459 14.097 -7.324 1.00 0.00 C ATOM 1046 O ALA A 70 -7.461 15.244 -6.876 1.00 0.00 O ATOM 1047 CB ALA A 70 -6.489 12.997 -9.350 1.00 0.00 C ATOM 0 H ALA A 70 -5.244 11.662 -7.646 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.448 14.292 -8.003 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.888 13.811 -9.955 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.568 12.627 -9.801 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.219 12.189 -9.302 1.00 0.00 H new ATOM 1053 N ILE A 71 -8.529 13.309 -7.301 1.00 0.00 N ATOM 1054 CA ILE A 71 -9.795 13.758 -6.734 1.00 0.00 C ATOM 1055 C ILE A 71 -9.567 14.652 -5.520 1.00 0.00 C ATOM 1056 O ILE A 71 -9.806 15.858 -5.572 1.00 0.00 O ATOM 1057 CB ILE A 71 -10.680 12.567 -6.321 1.00 0.00 C ATOM 1058 CG1 ILE A 71 -10.893 11.626 -7.509 1.00 0.00 C ATOM 1059 CG2 ILE A 71 -12.014 13.060 -5.783 1.00 0.00 C ATOM 1060 CD1 ILE A 71 -11.822 10.471 -7.206 1.00 0.00 C ATOM 0 H ILE A 71 -8.545 12.357 -7.668 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.305 14.327 -7.511 1.00 0.00 H new ATOM 0 HB ILE A 71 -10.174 12.014 -5.530 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -11.296 12.196 -8.346 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -9.928 11.232 -7.827 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.628 12.207 -5.495 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.844 13.694 -4.913 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -12.528 13.633 -6.555 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.927 9.846 -8.093 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -11.410 9.877 -6.390 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.800 10.857 -6.917 1.00 0.00 H new ATOM 1072 N ASN A 72 -9.103 14.053 -4.429 1.00 0.00 N ATOM 1073 CA ASN A 72 -8.841 14.796 -3.201 1.00 0.00 C ATOM 1074 C ASN A 72 -8.337 16.201 -3.513 1.00 0.00 C ATOM 1075 O ASN A 72 -8.721 17.169 -2.856 1.00 0.00 O ATOM 1076 CB ASN A 72 -7.818 14.054 -2.339 1.00 0.00 C ATOM 1077 CG ASN A 72 -8.468 13.069 -1.388 1.00 0.00 C ATOM 1078 OD1 ASN A 72 -8.584 13.329 -0.190 1.00 0.00 O ATOM 1079 ND2 ASN A 72 -8.897 11.929 -1.918 1.00 0.00 N ATOM 0 H ASN A 72 -8.900 13.055 -4.369 1.00 0.00 H new ATOM 0 HA ASN A 72 -9.777 14.879 -2.649 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -7.119 13.523 -2.986 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -7.237 14.777 -1.767 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -9.343 11.228 -1.327 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -8.780 11.755 -2.916 1.00 0.00 H new ATOM 1086 N ILE A 73 -7.475 16.305 -4.519 1.00 0.00 N ATOM 1087 CA ILE A 73 -6.920 17.592 -4.919 1.00 0.00 C ATOM 1088 C ILE A 73 -7.934 18.404 -5.718 1.00 0.00 C ATOM 1089 O ILE A 73 -8.142 19.589 -5.455 1.00 0.00 O ATOM 1090 CB ILE A 73 -5.642 17.417 -5.761 1.00 0.00 C ATOM 1091 CG1 ILE A 73 -4.537 16.771 -4.921 1.00 0.00 C ATOM 1092 CG2 ILE A 73 -5.181 18.759 -6.310 1.00 0.00 C ATOM 1093 CD1 ILE A 73 -3.560 15.952 -5.736 1.00 0.00 C ATOM 0 H ILE A 73 -7.146 15.513 -5.072 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.671 18.127 -4.002 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.865 16.760 -6.602 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.991 17.552 -4.391 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.993 16.132 -4.165 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.277 18.619 -6.903 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.964 19.184 -6.938 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.971 19.438 -5.483 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.805 15.524 -5.076 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.094 15.150 -6.245 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.076 16.591 -6.474 1.00 0.00 H new ATOM 1105 N LEU A 74 -8.563 17.758 -6.694 1.00 0.00 N ATOM 1106 CA LEU A 74 -9.558 18.420 -7.531 1.00 0.00 C ATOM 1107 C LEU A 74 -10.585 19.158 -6.677 1.00 0.00 C ATOM 1108 O LEU A 74 -11.208 20.119 -7.129 1.00 0.00 O ATOM 1109 CB LEU A 74 -10.262 17.397 -8.425 1.00 0.00 C ATOM 1110 CG LEU A 74 -9.567 17.071 -9.747 1.00 0.00 C ATOM 1111 CD1 LEU A 74 -8.063 16.969 -9.549 1.00 0.00 C ATOM 1112 CD2 LEU A 74 -10.119 15.780 -10.335 1.00 0.00 C ATOM 0 H LEU A 74 -8.402 16.778 -6.925 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.043 19.149 -8.157 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.379 16.471 -7.861 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -11.264 17.765 -8.645 1.00 0.00 H new ATOM 0 HG LEU A 74 -9.765 17.881 -10.449 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.586 16.736 -10.501 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.680 17.918 -9.173 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.843 16.179 -8.830 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.613 15.563 -11.276 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -9.951 14.961 -9.636 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -11.188 15.890 -10.515 1.00 0.00 H new ATOM 1124 N LYS A 75 -10.754 18.704 -5.440 1.00 0.00 N ATOM 1125 CA LYS A 75 -11.702 19.322 -4.521 1.00 0.00 C ATOM 1126 C LYS A 75 -11.104 20.572 -3.883 1.00 0.00 C ATOM 1127 O LYS A 75 -11.600 21.680 -4.084 1.00 0.00 O ATOM 1128 CB LYS A 75 -12.111 18.327 -3.433 1.00 0.00 C ATOM 1129 CG LYS A 75 -12.494 16.959 -3.971 1.00 0.00 C ATOM 1130 CD LYS A 75 -12.272 15.870 -2.936 1.00 0.00 C ATOM 1131 CE LYS A 75 -13.441 15.774 -1.968 1.00 0.00 C ATOM 1132 NZ LYS A 75 -13.153 14.845 -0.840 1.00 0.00 N ATOM 0 H LYS A 75 -10.246 17.910 -5.051 1.00 0.00 H new ATOM 0 HA LYS A 75 -12.585 19.612 -5.090 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.287 18.213 -2.729 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.953 18.737 -2.875 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.541 16.966 -4.274 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.906 16.740 -4.862 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.134 14.912 -3.438 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.356 16.074 -2.382 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.668 16.764 -1.574 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.328 15.433 -2.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.974 14.807 -0.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.961 13.894 -1.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.322 15.184 -0.314 1.00 0.00 H new ATOM 1146 N ALA A 76 -10.036 20.386 -3.115 1.00 0.00 N ATOM 1147 CA ALA A 76 -9.369 21.499 -2.451 1.00 0.00 C ATOM 1148 C ALA A 76 -8.830 22.501 -3.466 1.00 0.00 C ATOM 1149 O ALA A 76 -9.220 23.667 -3.468 1.00 0.00 O ATOM 1150 CB ALA A 76 -8.244 20.987 -1.563 1.00 0.00 C ATOM 0 H ALA A 76 -9.614 19.475 -2.937 1.00 0.00 H new ATOM 0 HA ALA A 76 -10.103 22.011 -1.829 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.755 21.829 -1.074 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.653 20.316 -0.808 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.517 20.448 -2.171 1.00 0.00 H new ATOM 1156 N ASN A 77 -7.931 22.037 -4.328 1.00 0.00 N ATOM 1157 CA ASN A 77 -7.337 22.893 -5.348 1.00 0.00 C ATOM 1158 C ASN A 77 -8.415 23.517 -6.229 1.00 0.00 C ATOM 1159 O ASN A 77 -8.306 24.674 -6.636 1.00 0.00 O ATOM 1160 CB ASN A 77 -6.359 22.093 -6.210 1.00 0.00 C ATOM 1161 CG ASN A 77 -4.976 22.013 -5.592 1.00 0.00 C ATOM 1162 OD1 ASN A 77 -4.821 21.613 -4.438 1.00 0.00 O ATOM 1163 ND2 ASN A 77 -3.962 22.396 -6.360 1.00 0.00 N ATOM 0 H ASN A 77 -7.598 21.073 -4.340 1.00 0.00 H new ATOM 0 HA ASN A 77 -6.795 23.693 -4.844 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -6.748 21.085 -6.356 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -6.288 22.553 -7.196 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -3.009 22.365 -5.999 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -4.137 22.721 -7.311 1.00 0.00 H new ATOM 1170 N ALA A 78 -9.455 22.743 -6.520 1.00 0.00 N ATOM 1171 CA ALA A 78 -10.554 23.220 -7.350 1.00 0.00 C ATOM 1172 C ALA A 78 -10.103 23.428 -8.792 1.00 0.00 C ATOM 1173 O ALA A 78 -10.444 24.429 -9.421 1.00 0.00 O ATOM 1174 CB ALA A 78 -11.123 24.512 -6.782 1.00 0.00 C ATOM 0 H ALA A 78 -9.560 21.782 -6.193 1.00 0.00 H new ATOM 0 HA ALA A 78 -11.335 22.460 -7.347 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -11.943 24.856 -7.412 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -11.492 24.334 -5.772 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.342 25.272 -6.755 1.00 0.00 H new ATOM 1180 N SER A 79 -9.333 22.476 -9.309 1.00 0.00 N ATOM 1181 CA SER A 79 -8.831 22.557 -10.676 1.00 0.00 C ATOM 1182 C SER A 79 -9.852 23.228 -11.590 1.00 0.00 C ATOM 1183 O SER A 79 -9.534 24.181 -12.300 1.00 0.00 O ATOM 1184 CB SER A 79 -8.497 21.161 -11.203 1.00 0.00 C ATOM 1185 OG SER A 79 -7.867 21.231 -12.470 1.00 0.00 O ATOM 0 H SER A 79 -9.043 21.640 -8.802 1.00 0.00 H new ATOM 0 HA SER A 79 -7.923 23.161 -10.669 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.844 20.649 -10.496 1.00 0.00 H new ATOM 0 HB3 SER A 79 -9.410 20.570 -11.279 1.00 0.00 H new ATOM 0 HG SER A 79 -7.662 20.326 -12.784 1.00 0.00 H new ATOM 1191 N GLY A 80 -11.081 22.721 -11.568 1.00 0.00 N ATOM 1192 CA GLY A 80 -12.130 23.281 -12.398 1.00 0.00 C ATOM 1193 C GLY A 80 -13.185 24.008 -11.588 1.00 0.00 C ATOM 1194 O GLY A 80 -13.609 23.549 -10.528 1.00 0.00 O ATOM 0 H GLY A 80 -11.368 21.932 -10.989 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -11.690 23.971 -13.118 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.602 22.482 -12.970 1.00 0.00 H new ATOM 1198 N PRO A 81 -13.624 25.172 -12.089 1.00 0.00 N ATOM 1199 CA PRO A 81 -14.640 25.990 -11.420 1.00 0.00 C ATOM 1200 C PRO A 81 -16.020 25.342 -11.455 1.00 0.00 C ATOM 1201 O PRO A 81 -16.203 24.281 -12.053 1.00 0.00 O ATOM 1202 CB PRO A 81 -14.639 27.289 -12.228 1.00 0.00 C ATOM 1203 CG PRO A 81 -14.143 26.896 -13.577 1.00 0.00 C ATOM 1204 CD PRO A 81 -13.162 25.780 -13.349 1.00 0.00 C ATOM 0 HA PRO A 81 -14.418 26.130 -10.362 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -15.638 27.721 -12.284 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -13.993 28.039 -11.771 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.964 26.569 -14.215 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -13.666 27.738 -14.078 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.172 25.062 -14.169 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.141 26.153 -13.265 1.00 0.00 H new ATOM 1212 N SER A 82 -16.988 25.987 -10.812 1.00 0.00 N ATOM 1213 CA SER A 82 -18.351 25.471 -10.767 1.00 0.00 C ATOM 1214 C SER A 82 -19.062 25.698 -12.098 1.00 0.00 C ATOM 1215 O SER A 82 -19.396 26.829 -12.451 1.00 0.00 O ATOM 1216 CB SER A 82 -19.135 26.141 -9.636 1.00 0.00 C ATOM 1217 OG SER A 82 -18.584 25.817 -8.372 1.00 0.00 O ATOM 0 H SER A 82 -16.854 26.868 -10.315 1.00 0.00 H new ATOM 0 HA SER A 82 -18.302 24.398 -10.580 1.00 0.00 H new ATOM 0 HB2 SER A 82 -19.126 27.222 -9.774 1.00 0.00 H new ATOM 0 HB3 SER A 82 -20.177 25.824 -9.674 1.00 0.00 H new ATOM 0 HG SER A 82 -19.102 26.259 -7.667 1.00 0.00 H new ATOM 1223 N SER A 83 -19.289 24.614 -12.832 1.00 0.00 N ATOM 1224 CA SER A 83 -19.957 24.693 -14.126 1.00 0.00 C ATOM 1225 C SER A 83 -21.216 25.550 -14.036 1.00 0.00 C ATOM 1226 O SER A 83 -21.594 26.007 -12.958 1.00 0.00 O ATOM 1227 CB SER A 83 -20.314 23.292 -14.626 1.00 0.00 C ATOM 1228 OG SER A 83 -21.411 22.757 -13.906 1.00 0.00 O ATOM 0 H SER A 83 -19.020 23.670 -12.553 1.00 0.00 H new ATOM 0 HA SER A 83 -19.271 25.159 -14.833 1.00 0.00 H new ATOM 0 HB2 SER A 83 -20.557 23.333 -15.688 1.00 0.00 H new ATOM 0 HB3 SER A 83 -19.451 22.634 -14.521 1.00 0.00 H new ATOM 0 HG SER A 83 -21.620 21.862 -14.246 1.00 0.00 H new ATOM 1234 N GLY A 84 -21.862 25.763 -15.179 1.00 0.00 N ATOM 1235 CA GLY A 84 -23.072 26.564 -15.208 1.00 0.00 C ATOM 1236 C GLY A 84 -22.804 28.004 -15.597 1.00 0.00 C ATOM 1237 O GLY A 84 -23.563 28.903 -15.235 1.00 0.00 O ATOM 0 H GLY A 84 -21.569 25.395 -16.084 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -23.778 26.125 -15.914 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -23.545 26.538 -14.226 1.00 0.00 H new TER 1241 GLY A 84