USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 760 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 97 SER OG : rot 66:sc= 1.21 USER MOD Set 1.2: A 99 HIS : no HE2:sc= 0.211 K(o=1.4,f=-0.63) USER MOD Set 2.1: A 35 GLN : amide:sc= -3.48! C(o=-3.4!,f=-3.9!) USER MOD Set 2.2: A 50 TYR OH : rot 55:sc= 0.00797 USER MOD Set 2.3: A 94 TYR OH : rot 41:sc= 0.0371 USER MOD Set 3.1: A 39 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.098) USER MOD Set 3.2: A 90 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 31 SER OG : rot -46:sc= 0.0237 USER MOD Set 4.2: A 32 ASN : amide:sc= -2.82! C(o=-2.8!,f=-4.1!) USER MOD Set 5.1: A 28 SER OG : rot -77:sc= 1.23 USER MOD Set 5.2: A 72 ASN : amide:sc= 0.777! C(o=2!,f=-3.3!) USER MOD Single : A 3 MET CE :methyl -122:sc=-0.00437 (180deg=-0.298) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -4.63! C(o=-4.6!,f=-11!) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 39:sc= 0.0926 USER MOD Single : A 11 SER OG : rot -3:sc= 0.839 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= -0.005 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= -0.15 USER MOD Single : A 38 GLN : amide:sc= -11.4! C(o=-11!,f=-16!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -0.108 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 37:sc= 0.308 USER MOD Single : A 53 ASN : amide:sc= -6.35! K(o=-6.4!,f=-3.2) USER MOD Single : A 54 GLN : amide:sc= -0.155 X(o=-0.16,f=-0.013) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -72:sc= 0.916 USER MOD Single : A 69 SER OG : rot 180:sc= 0.0296 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -48:sc= 0.0213 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= -0.14 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0433 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -8.05! C(o=-8!,f=-6.7!) USER MOD Single : A 93 SER OG : rot 170:sc= -2.35! USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -2.51! C(o=-2.5!,f=-3.1!) USER MOD Single : A 106 THR OG1 : rot -26:sc= 0.478 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N MET A 3 73.314 6.212 -11.929 1.00 0.00 N ATOM 38 CA MET A 3 74.356 5.242 -11.611 1.00 0.00 C ATOM 39 C MET A 3 75.282 5.817 -10.543 1.00 0.00 C ATOM 40 O MET A 3 75.228 7.009 -10.239 1.00 0.00 O ATOM 41 CB MET A 3 75.159 4.898 -12.871 1.00 0.00 C ATOM 42 CG MET A 3 74.502 3.745 -13.636 1.00 0.00 C ATOM 43 SD MET A 3 75.515 3.313 -15.073 1.00 0.00 S ATOM 44 CE MET A 3 76.804 2.376 -14.214 1.00 0.00 C ATOM 0 HA MET A 3 73.892 4.331 -11.232 1.00 0.00 H new ATOM 0 HB2 MET A 3 75.228 5.775 -13.515 1.00 0.00 H new ATOM 0 HB3 MET A 3 76.177 4.624 -12.595 1.00 0.00 H new ATOM 0 HG2 MET A 3 74.391 2.879 -12.983 1.00 0.00 H new ATOM 0 HG3 MET A 3 73.501 4.032 -13.957 1.00 0.00 H new ATOM 0 HE1 MET A 3 77.776 2.829 -14.411 1.00 0.00 H new ATOM 0 HE2 MET A 3 76.609 2.387 -13.142 1.00 0.00 H new ATOM 0 HE3 MET A 3 76.805 1.346 -14.572 1.00 0.00 H new ATOM 54 N LEU A 4 76.186 4.986 -10.031 1.00 0.00 N ATOM 55 CA LEU A 4 77.149 5.419 -9.025 1.00 0.00 C ATOM 56 C LEU A 4 78.556 5.388 -9.611 1.00 0.00 C ATOM 57 O LEU A 4 78.897 4.508 -10.401 1.00 0.00 O ATOM 58 CB LEU A 4 77.078 4.489 -7.811 1.00 0.00 C ATOM 59 CG LEU A 4 75.658 4.502 -7.226 1.00 0.00 C ATOM 60 CD1 LEU A 4 75.346 3.179 -6.518 1.00 0.00 C ATOM 61 CD2 LEU A 4 75.500 5.655 -6.228 1.00 0.00 C ATOM 0 H LEU A 4 76.271 4.005 -10.298 1.00 0.00 H new ATOM 0 HA LEU A 4 76.911 6.437 -8.716 1.00 0.00 H new ATOM 0 HB2 LEU A 4 77.352 3.475 -8.102 1.00 0.00 H new ATOM 0 HB3 LEU A 4 77.795 4.808 -7.055 1.00 0.00 H new ATOM 0 HG LEU A 4 74.960 4.637 -8.052 1.00 0.00 H new ATOM 0 HD11 LEU A 4 74.335 3.213 -6.112 1.00 0.00 H new ATOM 0 HD12 LEU A 4 75.424 2.358 -7.231 1.00 0.00 H new ATOM 0 HD13 LEU A 4 76.057 3.024 -5.707 1.00 0.00 H new ATOM 0 HD21 LEU A 4 74.488 5.650 -5.823 1.00 0.00 H new ATOM 0 HD22 LEU A 4 76.217 5.534 -5.416 1.00 0.00 H new ATOM 0 HD23 LEU A 4 75.683 6.603 -6.735 1.00 0.00 H new ATOM 73 N THR A 5 79.384 6.328 -9.169 1.00 0.00 N ATOM 74 CA THR A 5 80.776 6.402 -9.600 1.00 0.00 C ATOM 75 C THR A 5 81.681 6.159 -8.397 1.00 0.00 C ATOM 76 O THR A 5 81.552 6.829 -7.373 1.00 0.00 O ATOM 77 CB THR A 5 81.037 7.777 -10.227 1.00 0.00 C ATOM 78 OG1 THR A 5 80.632 7.752 -11.588 1.00 0.00 O ATOM 79 CG2 THR A 5 82.519 8.161 -10.161 1.00 0.00 C ATOM 0 H THR A 5 79.113 7.055 -8.507 1.00 0.00 H new ATOM 0 HA THR A 5 80.987 5.640 -10.350 1.00 0.00 H new ATOM 0 HB THR A 5 80.467 8.516 -9.663 1.00 0.00 H new ATOM 0 HG1 THR A 5 80.795 8.629 -11.994 1.00 0.00 H new ATOM 0 HG21 THR A 5 82.661 9.141 -10.616 1.00 0.00 H new ATOM 0 HG22 THR A 5 82.840 8.194 -9.120 1.00 0.00 H new ATOM 0 HG23 THR A 5 83.111 7.422 -10.700 1.00 0.00 H new ATOM 87 N GLN A 6 82.691 5.312 -8.582 1.00 0.00 N ATOM 88 CA GLN A 6 83.609 4.981 -7.497 1.00 0.00 C ATOM 89 C GLN A 6 85.013 4.752 -8.055 1.00 0.00 C ATOM 90 O GLN A 6 85.200 4.730 -9.272 1.00 0.00 O ATOM 91 CB GLN A 6 83.122 3.745 -6.725 1.00 0.00 C ATOM 92 CG GLN A 6 81.669 3.418 -7.082 1.00 0.00 C ATOM 93 CD GLN A 6 81.243 2.127 -6.392 1.00 0.00 C ATOM 94 OE1 GLN A 6 80.499 1.333 -6.968 1.00 0.00 O ATOM 95 NE2 GLN A 6 81.665 1.871 -5.184 1.00 0.00 N ATOM 0 H GLN A 6 82.893 4.846 -9.466 1.00 0.00 H new ATOM 0 HA GLN A 6 83.640 5.818 -6.799 1.00 0.00 H new ATOM 0 HB2 GLN A 6 83.759 2.892 -6.957 1.00 0.00 H new ATOM 0 HB3 GLN A 6 83.206 3.924 -5.653 1.00 0.00 H new ATOM 0 HG2 GLN A 6 81.017 4.236 -6.776 1.00 0.00 H new ATOM 0 HG3 GLN A 6 81.565 3.315 -8.162 1.00 0.00 H new ATOM 0 HE21 GLN A 6 82.281 2.530 -4.709 1.00 0.00 H new ATOM 0 HE22 GLN A 6 81.379 1.012 -4.715 1.00 0.00 H new ATOM 104 N PRO A 7 85.955 4.408 -7.215 1.00 0.00 N ATOM 105 CA PRO A 7 87.346 4.106 -7.657 1.00 0.00 C ATOM 106 C PRO A 7 87.441 2.751 -8.355 1.00 0.00 C ATOM 107 O PRO A 7 86.630 1.857 -8.114 1.00 0.00 O ATOM 108 CB PRO A 7 88.186 4.130 -6.371 1.00 0.00 C ATOM 109 CG PRO A 7 87.284 4.585 -5.267 1.00 0.00 C ATOM 110 CD PRO A 7 85.843 4.397 -5.747 1.00 0.00 C ATOM 0 HA PRO A 7 87.698 4.831 -8.391 1.00 0.00 H new ATOM 0 HB2 PRO A 7 88.590 3.141 -6.156 1.00 0.00 H new ATOM 0 HB3 PRO A 7 89.035 4.805 -6.478 1.00 0.00 H new ATOM 0 HG2 PRO A 7 87.465 4.007 -4.361 1.00 0.00 H new ATOM 0 HG3 PRO A 7 87.474 5.630 -5.022 1.00 0.00 H new ATOM 0 HD2 PRO A 7 85.420 3.460 -5.385 1.00 0.00 H new ATOM 0 HD3 PRO A 7 85.195 5.197 -5.390 1.00 0.00 H new ATOM 118 N HIS A 8 88.470 2.589 -9.181 1.00 0.00 N ATOM 119 CA HIS A 8 88.710 1.320 -9.857 1.00 0.00 C ATOM 120 C HIS A 8 89.307 0.290 -8.902 1.00 0.00 C ATOM 121 O HIS A 8 89.066 -0.908 -9.044 1.00 0.00 O ATOM 122 CB HIS A 8 89.648 1.535 -11.046 1.00 0.00 C ATOM 123 CG HIS A 8 88.928 2.307 -12.119 1.00 0.00 C ATOM 124 ND1 HIS A 8 89.018 3.685 -12.221 1.00 0.00 N ATOM 125 CD2 HIS A 8 88.012 1.922 -13.069 1.00 0.00 C ATOM 126 CE1 HIS A 8 88.238 4.070 -13.245 1.00 0.00 C ATOM 127 NE2 HIS A 8 87.601 3.036 -13.798 1.00 0.00 N ATOM 0 H HIS A 8 89.149 3.319 -9.398 1.00 0.00 H new ATOM 0 HA HIS A 8 87.753 0.937 -10.213 1.00 0.00 H new ATOM 0 HB2 HIS A 8 90.538 2.078 -10.727 1.00 0.00 H new ATOM 0 HB3 HIS A 8 89.983 0.574 -11.437 1.00 0.00 H new ATOM 0 HD2 HIS A 8 87.664 0.912 -13.226 1.00 0.00 H new ATOM 0 HE1 HIS A 8 88.139 5.092 -13.580 1.00 0.00 H new ATOM 0 HE2 HIS A 8 86.953 3.057 -14.585 1.00 0.00 H new ATOM 135 N SER A 9 90.196 0.745 -8.023 1.00 0.00 N ATOM 136 CA SER A 9 90.847 -0.155 -7.079 1.00 0.00 C ATOM 137 C SER A 9 91.642 0.640 -6.049 1.00 0.00 C ATOM 138 O SER A 9 92.020 1.785 -6.294 1.00 0.00 O ATOM 139 CB SER A 9 91.786 -1.109 -7.821 1.00 0.00 C ATOM 140 OG SER A 9 92.499 -1.897 -6.879 1.00 0.00 O ATOM 0 H SER A 9 90.479 1.722 -7.946 1.00 0.00 H new ATOM 0 HA SER A 9 90.077 -0.732 -6.568 1.00 0.00 H new ATOM 0 HB2 SER A 9 91.214 -1.752 -8.491 1.00 0.00 H new ATOM 0 HB3 SER A 9 92.483 -0.543 -8.440 1.00 0.00 H new ATOM 0 HG SER A 9 91.902 -2.148 -6.144 1.00 0.00 H new ATOM 146 N VAL A 10 91.900 0.026 -4.899 1.00 0.00 N ATOM 147 CA VAL A 10 92.645 0.691 -3.836 1.00 0.00 C ATOM 148 C VAL A 10 93.215 -0.336 -2.864 1.00 0.00 C ATOM 149 O VAL A 10 92.692 -1.444 -2.745 1.00 0.00 O ATOM 150 CB VAL A 10 91.732 1.667 -3.091 1.00 0.00 C ATOM 151 CG1 VAL A 10 90.493 0.927 -2.581 1.00 0.00 C ATOM 152 CG2 VAL A 10 92.483 2.275 -1.904 1.00 0.00 C ATOM 0 H VAL A 10 91.606 -0.926 -4.680 1.00 0.00 H new ATOM 0 HA VAL A 10 93.471 1.245 -4.282 1.00 0.00 H new ATOM 0 HB VAL A 10 91.427 2.461 -3.773 1.00 0.00 H new ATOM 0 HG11 VAL A 10 89.845 1.625 -2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 10 89.952 0.499 -3.425 1.00 0.00 H new ATOM 0 HG13 VAL A 10 90.799 0.130 -1.904 1.00 0.00 H new ATOM 0 HG21 VAL A 10 91.829 2.969 -1.377 1.00 0.00 H new ATOM 0 HG22 VAL A 10 92.793 1.481 -1.224 1.00 0.00 H new ATOM 0 HG23 VAL A 10 93.363 2.808 -2.265 1.00 0.00 H new ATOM 162 N SER A 11 94.323 0.009 -2.213 1.00 0.00 N ATOM 163 CA SER A 11 94.981 -0.903 -1.283 1.00 0.00 C ATOM 164 C SER A 11 95.471 -0.159 -0.044 1.00 0.00 C ATOM 165 O SER A 11 95.717 1.046 -0.088 1.00 0.00 O ATOM 166 CB SER A 11 96.168 -1.585 -1.968 1.00 0.00 C ATOM 167 OG SER A 11 96.501 -2.772 -1.263 1.00 0.00 O ATOM 0 H SER A 11 94.784 0.914 -2.313 1.00 0.00 H new ATOM 0 HA SER A 11 94.254 -1.654 -0.976 1.00 0.00 H new ATOM 0 HB2 SER A 11 95.919 -1.821 -3.002 1.00 0.00 H new ATOM 0 HB3 SER A 11 97.024 -0.911 -1.992 1.00 0.00 H new ATOM 0 HG SER A 11 95.925 -2.857 -0.475 1.00 0.00 H new ATOM 173 N GLU A 12 95.578 -0.880 1.068 1.00 0.00 N ATOM 174 CA GLU A 12 96.038 -0.287 2.319 1.00 0.00 C ATOM 175 C GLU A 12 96.623 -1.362 3.232 1.00 0.00 C ATOM 176 O GLU A 12 96.185 -2.513 3.199 1.00 0.00 O ATOM 177 CB GLU A 12 94.861 0.402 3.014 1.00 0.00 C ATOM 178 CG GLU A 12 95.362 1.400 4.065 1.00 0.00 C ATOM 179 CD GLU A 12 95.603 2.770 3.439 1.00 0.00 C ATOM 180 OE1 GLU A 12 95.639 2.840 2.222 1.00 0.00 O ATOM 181 OE2 GLU A 12 95.513 3.745 4.167 1.00 0.00 O ATOM 0 H GLU A 12 95.353 -1.873 1.128 1.00 0.00 H new ATOM 0 HA GLU A 12 96.816 0.446 2.103 1.00 0.00 H new ATOM 0 HB2 GLU A 12 94.249 0.920 2.276 1.00 0.00 H new ATOM 0 HB3 GLU A 12 94.224 -0.345 3.488 1.00 0.00 H new ATOM 0 HG2 GLU A 12 94.631 1.486 4.869 1.00 0.00 H new ATOM 0 HG3 GLU A 12 96.285 1.032 4.512 1.00 0.00 H new ATOM 188 N SER A 13 97.592 -0.990 4.064 1.00 0.00 N ATOM 189 CA SER A 13 98.232 -1.946 4.963 1.00 0.00 C ATOM 190 C SER A 13 97.523 -1.947 6.316 1.00 0.00 C ATOM 191 O SER A 13 97.015 -0.911 6.745 1.00 0.00 O ATOM 192 CB SER A 13 99.714 -1.592 5.121 1.00 0.00 C ATOM 193 OG SER A 13 100.488 -2.425 4.270 1.00 0.00 O ATOM 0 H SER A 13 97.950 -0.038 4.134 1.00 0.00 H new ATOM 0 HA SER A 13 98.158 -2.948 4.541 1.00 0.00 H new ATOM 0 HB2 SER A 13 99.878 -0.544 4.871 1.00 0.00 H new ATOM 0 HB3 SER A 13 100.023 -1.724 6.158 1.00 0.00 H new ATOM 0 HG SER A 13 101.437 -2.200 4.367 1.00 0.00 H new ATOM 199 N PRO A 14 97.631 -3.010 7.069 1.00 0.00 N ATOM 200 CA PRO A 14 96.964 -3.102 8.397 1.00 0.00 C ATOM 201 C PRO A 14 97.451 -1.992 9.325 1.00 0.00 C ATOM 202 O PRO A 14 98.602 -1.563 9.241 1.00 0.00 O ATOM 203 CB PRO A 14 97.319 -4.493 8.942 1.00 0.00 C ATOM 204 CG PRO A 14 98.158 -5.181 7.910 1.00 0.00 C ATOM 205 CD PRO A 14 98.215 -4.297 6.661 1.00 0.00 C ATOM 0 HA PRO A 14 95.884 -2.975 8.320 1.00 0.00 H new ATOM 0 HB2 PRO A 14 97.862 -4.409 9.883 1.00 0.00 H new ATOM 0 HB3 PRO A 14 96.415 -5.067 9.146 1.00 0.00 H new ATOM 0 HG2 PRO A 14 99.162 -5.358 8.295 1.00 0.00 H new ATOM 0 HG3 PRO A 14 97.734 -6.155 7.665 1.00 0.00 H new ATOM 0 HD2 PRO A 14 99.241 -4.171 6.315 1.00 0.00 H new ATOM 0 HD3 PRO A 14 97.653 -4.741 5.839 1.00 0.00 H new ATOM 213 N GLY A 15 96.583 -1.562 10.236 1.00 0.00 N ATOM 214 CA GLY A 15 96.944 -0.552 11.226 1.00 0.00 C ATOM 215 C GLY A 15 96.381 0.812 10.842 1.00 0.00 C ATOM 216 O GLY A 15 96.108 1.645 11.707 1.00 0.00 O ATOM 0 H GLY A 15 95.623 -1.898 10.309 1.00 0.00 H new ATOM 0 HA2 GLY A 15 96.564 -0.844 12.205 1.00 0.00 H new ATOM 0 HA3 GLY A 15 98.029 -0.491 11.311 1.00 0.00 H new ATOM 220 N LYS A 16 96.164 1.020 9.547 1.00 0.00 N ATOM 221 CA LYS A 16 95.616 2.280 9.055 1.00 0.00 C ATOM 222 C LYS A 16 94.117 2.137 8.821 1.00 0.00 C ATOM 223 O LYS A 16 93.485 1.218 9.341 1.00 0.00 O ATOM 224 CB LYS A 16 96.289 2.671 7.738 1.00 0.00 C ATOM 225 CG LYS A 16 97.809 2.549 7.864 1.00 0.00 C ATOM 226 CD LYS A 16 98.335 3.556 8.889 1.00 0.00 C ATOM 227 CE LYS A 16 99.853 3.691 8.743 1.00 0.00 C ATOM 228 NZ LYS A 16 100.417 4.338 9.960 1.00 0.00 N ATOM 0 H LYS A 16 96.359 0.333 8.819 1.00 0.00 H new ATOM 0 HA LYS A 16 95.801 3.053 9.801 1.00 0.00 H new ATOM 0 HB2 LYS A 16 95.931 2.029 6.934 1.00 0.00 H new ATOM 0 HB3 LYS A 16 96.020 3.693 7.473 1.00 0.00 H new ATOM 0 HG2 LYS A 16 98.076 1.537 8.167 1.00 0.00 H new ATOM 0 HG3 LYS A 16 98.277 2.726 6.896 1.00 0.00 H new ATOM 0 HD2 LYS A 16 97.858 4.525 8.741 1.00 0.00 H new ATOM 0 HD3 LYS A 16 98.084 3.228 9.898 1.00 0.00 H new ATOM 0 HE2 LYS A 16 100.303 2.709 8.599 1.00 0.00 H new ATOM 0 HE3 LYS A 16 100.092 4.284 7.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 101.448 4.429 9.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 99.996 5.282 10.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 100.201 3.756 10.794 1.00 0.00 H new ATOM 242 N THR A 17 93.554 3.048 8.033 1.00 0.00 N ATOM 243 CA THR A 17 92.135 2.995 7.695 1.00 0.00 C ATOM 244 C THR A 17 91.916 3.138 6.194 1.00 0.00 C ATOM 245 O THR A 17 92.777 3.639 5.470 1.00 0.00 O ATOM 246 CB THR A 17 91.381 4.110 8.423 1.00 0.00 C ATOM 247 OG1 THR A 17 91.985 5.359 8.123 1.00 0.00 O ATOM 248 CG2 THR A 17 91.427 3.881 9.937 1.00 0.00 C ATOM 0 H THR A 17 94.058 3.831 7.617 1.00 0.00 H new ATOM 0 HA THR A 17 91.755 2.023 8.009 1.00 0.00 H new ATOM 0 HB THR A 17 90.342 4.108 8.093 1.00 0.00 H new ATOM 0 HG1 THR A 17 91.503 6.075 8.587 1.00 0.00 H new ATOM 0 HG21 THR A 17 90.887 4.681 10.443 1.00 0.00 H new ATOM 0 HG22 THR A 17 90.963 2.924 10.174 1.00 0.00 H new ATOM 0 HG23 THR A 17 92.464 3.875 10.273 1.00 0.00 H new ATOM 256 N VAL A 18 90.765 2.657 5.736 1.00 0.00 N ATOM 257 CA VAL A 18 90.396 2.754 4.328 1.00 0.00 C ATOM 258 C VAL A 18 89.109 3.555 4.184 1.00 0.00 C ATOM 259 O VAL A 18 88.090 3.237 4.796 1.00 0.00 O ATOM 260 CB VAL A 18 90.235 1.345 3.748 1.00 0.00 C ATOM 261 CG1 VAL A 18 89.463 1.398 2.427 1.00 0.00 C ATOM 262 CG2 VAL A 18 91.613 0.704 3.529 1.00 0.00 C ATOM 0 H VAL A 18 90.069 2.195 6.321 1.00 0.00 H new ATOM 0 HA VAL A 18 91.180 3.271 3.775 1.00 0.00 H new ATOM 0 HB VAL A 18 89.672 0.738 4.457 1.00 0.00 H new ATOM 0 HG11 VAL A 18 89.357 0.390 2.027 1.00 0.00 H new ATOM 0 HG12 VAL A 18 88.476 1.826 2.600 1.00 0.00 H new ATOM 0 HG13 VAL A 18 90.007 2.016 1.712 1.00 0.00 H new ATOM 0 HG21 VAL A 18 91.487 -0.297 3.117 1.00 0.00 H new ATOM 0 HG22 VAL A 18 92.191 1.313 2.834 1.00 0.00 H new ATOM 0 HG23 VAL A 18 92.140 0.641 4.481 1.00 0.00 H new ATOM 272 N THR A 19 89.140 4.514 3.267 1.00 0.00 N ATOM 273 CA THR A 19 87.981 5.348 2.983 1.00 0.00 C ATOM 274 C THR A 19 87.612 5.238 1.508 1.00 0.00 C ATOM 275 O THR A 19 88.387 5.616 0.630 1.00 0.00 O ATOM 276 CB THR A 19 88.301 6.796 3.359 1.00 0.00 C ATOM 277 OG1 THR A 19 88.432 6.904 4.769 1.00 0.00 O ATOM 278 CG2 THR A 19 87.172 7.704 2.871 1.00 0.00 C ATOM 0 H THR A 19 89.962 4.734 2.704 1.00 0.00 H new ATOM 0 HA THR A 19 87.128 5.011 3.572 1.00 0.00 H new ATOM 0 HB THR A 19 89.238 7.099 2.891 1.00 0.00 H new ATOM 0 HG1 THR A 19 88.639 7.832 5.008 1.00 0.00 H new ATOM 0 HG21 THR A 19 87.395 8.737 3.137 1.00 0.00 H new ATOM 0 HG22 THR A 19 87.079 7.620 1.788 1.00 0.00 H new ATOM 0 HG23 THR A 19 86.235 7.403 3.340 1.00 0.00 H new ATOM 286 N ILE A 20 86.404 4.748 1.245 1.00 0.00 N ATOM 287 CA ILE A 20 85.907 4.621 -0.121 1.00 0.00 C ATOM 288 C ILE A 20 84.836 5.672 -0.390 1.00 0.00 C ATOM 289 O ILE A 20 83.823 5.728 0.306 1.00 0.00 O ATOM 290 CB ILE A 20 85.314 3.225 -0.328 1.00 0.00 C ATOM 291 CG1 ILE A 20 86.405 2.178 -0.080 1.00 0.00 C ATOM 292 CG2 ILE A 20 84.778 3.099 -1.758 1.00 0.00 C ATOM 293 CD1 ILE A 20 85.817 0.769 0.057 1.00 0.00 C ATOM 0 H ILE A 20 85.750 4.432 1.961 1.00 0.00 H new ATOM 0 HA ILE A 20 86.736 4.771 -0.812 1.00 0.00 H new ATOM 0 HB ILE A 20 84.492 3.064 0.370 1.00 0.00 H new ATOM 0 HG12 ILE A 20 87.120 2.196 -0.902 1.00 0.00 H new ATOM 0 HG13 ILE A 20 86.955 2.433 0.826 1.00 0.00 H new ATOM 0 HG21 ILE A 20 84.357 2.104 -1.902 1.00 0.00 H new ATOM 0 HG22 ILE A 20 84.004 3.848 -1.924 1.00 0.00 H new ATOM 0 HG23 ILE A 20 85.592 3.255 -2.467 1.00 0.00 H new ATOM 0 HD11 ILE A 20 86.621 0.054 0.232 1.00 0.00 H new ATOM 0 HD12 ILE A 20 85.121 0.745 0.896 1.00 0.00 H new ATOM 0 HD13 ILE A 20 85.289 0.504 -0.859 1.00 0.00 H new ATOM 305 N SER A 21 85.019 6.438 -1.461 1.00 0.00 N ATOM 306 CA SER A 21 84.049 7.460 -1.842 1.00 0.00 C ATOM 307 C SER A 21 83.197 6.968 -3.009 1.00 0.00 C ATOM 308 O SER A 21 83.728 6.462 -3.998 1.00 0.00 O ATOM 309 CB SER A 21 84.786 8.740 -2.239 1.00 0.00 C ATOM 310 OG SER A 21 85.665 9.130 -1.194 1.00 0.00 O ATOM 0 H SER A 21 85.828 6.371 -2.079 1.00 0.00 H new ATOM 0 HA SER A 21 83.396 7.666 -0.994 1.00 0.00 H new ATOM 0 HB2 SER A 21 85.348 8.577 -3.158 1.00 0.00 H new ATOM 0 HB3 SER A 21 84.069 9.536 -2.441 1.00 0.00 H new ATOM 0 HG SER A 21 86.137 9.949 -1.452 1.00 0.00 H new ATOM 316 N CYS A 22 81.884 7.165 -2.919 1.00 0.00 N ATOM 317 CA CYS A 22 80.957 6.751 -3.972 1.00 0.00 C ATOM 318 C CYS A 22 80.141 7.970 -4.406 1.00 0.00 C ATOM 319 O CYS A 22 79.462 8.591 -3.588 1.00 0.00 O ATOM 320 CB CYS A 22 80.036 5.638 -3.442 1.00 0.00 C ATOM 321 SG CYS A 22 80.755 3.985 -3.663 1.00 0.00 S ATOM 0 H CYS A 22 81.434 7.613 -2.121 1.00 0.00 H new ATOM 0 HA CYS A 22 81.504 6.359 -4.829 1.00 0.00 H new ATOM 0 HB2 CYS A 22 79.838 5.807 -2.384 1.00 0.00 H new ATOM 0 HB3 CYS A 22 79.077 5.687 -3.958 1.00 0.00 H new ATOM 326 N THR A 23 80.282 8.382 -5.666 1.00 0.00 N ATOM 327 CA THR A 23 79.543 9.528 -6.195 1.00 0.00 C ATOM 328 C THR A 23 78.258 9.061 -6.872 1.00 0.00 C ATOM 329 O THR A 23 78.287 8.185 -7.736 1.00 0.00 O ATOM 330 CB THR A 23 80.426 10.312 -7.173 1.00 0.00 C ATOM 331 OG1 THR A 23 81.290 11.168 -6.438 1.00 0.00 O ATOM 332 CG2 THR A 23 79.590 11.169 -8.129 1.00 0.00 C ATOM 0 H THR A 23 80.904 7.937 -6.341 1.00 0.00 H new ATOM 0 HA THR A 23 79.270 10.189 -5.372 1.00 0.00 H new ATOM 0 HB THR A 23 80.995 9.592 -7.761 1.00 0.00 H new ATOM 0 HG1 THR A 23 81.858 11.670 -7.059 1.00 0.00 H new ATOM 0 HG21 THR A 23 80.251 11.709 -8.806 1.00 0.00 H new ATOM 0 HG22 THR A 23 78.925 10.527 -8.707 1.00 0.00 H new ATOM 0 HG23 THR A 23 78.998 11.882 -7.555 1.00 0.00 H new ATOM 340 N GLY A 24 77.145 9.720 -6.560 1.00 0.00 N ATOM 341 CA GLY A 24 75.868 9.398 -7.189 1.00 0.00 C ATOM 342 C GLY A 24 75.513 10.419 -8.263 1.00 0.00 C ATOM 343 O GLY A 24 75.650 11.625 -8.056 1.00 0.00 O ATOM 0 H GLY A 24 77.102 10.477 -5.878 1.00 0.00 H new ATOM 0 HA2 GLY A 24 75.917 8.403 -7.631 1.00 0.00 H new ATOM 0 HA3 GLY A 24 75.083 9.373 -6.433 1.00 0.00 H new ATOM 347 N SER A 25 74.910 9.934 -9.344 1.00 0.00 N ATOM 348 CA SER A 25 74.488 10.793 -10.446 1.00 0.00 C ATOM 349 C SER A 25 72.971 10.749 -10.583 1.00 0.00 C ATOM 350 O SER A 25 72.353 9.698 -10.409 1.00 0.00 O ATOM 351 CB SER A 25 75.124 10.304 -11.749 1.00 0.00 C ATOM 352 OG SER A 25 74.339 10.741 -12.849 1.00 0.00 O ATOM 0 H SER A 25 74.702 8.945 -9.481 1.00 0.00 H new ATOM 0 HA SER A 25 74.805 11.816 -10.243 1.00 0.00 H new ATOM 0 HB2 SER A 25 76.140 10.688 -11.837 1.00 0.00 H new ATOM 0 HB3 SER A 25 75.194 9.216 -11.747 1.00 0.00 H new ATOM 0 HG SER A 25 74.745 10.430 -13.685 1.00 0.00 H new ATOM 358 N SER A 26 72.373 11.896 -10.887 1.00 0.00 N ATOM 359 CA SER A 26 70.923 11.992 -11.014 1.00 0.00 C ATOM 360 C SER A 26 70.241 11.717 -9.676 1.00 0.00 C ATOM 361 O SER A 26 69.035 11.920 -9.535 1.00 0.00 O ATOM 362 CB SER A 26 70.416 11.006 -12.074 1.00 0.00 C ATOM 363 OG SER A 26 69.405 10.172 -11.527 1.00 0.00 O ATOM 0 H SER A 26 72.870 12.772 -11.050 1.00 0.00 H new ATOM 0 HA SER A 26 70.675 13.007 -11.325 1.00 0.00 H new ATOM 0 HB2 SER A 26 70.022 11.553 -12.931 1.00 0.00 H new ATOM 0 HB3 SER A 26 71.243 10.396 -12.438 1.00 0.00 H new ATOM 0 HG SER A 26 69.089 9.548 -12.213 1.00 0.00 H new ATOM 369 N GLY A 27 71.010 11.258 -8.693 1.00 0.00 N ATOM 370 CA GLY A 27 70.462 10.964 -7.373 1.00 0.00 C ATOM 371 C GLY A 27 71.451 11.349 -6.278 1.00 0.00 C ATOM 372 O GLY A 27 72.661 11.182 -6.433 1.00 0.00 O ATOM 0 H GLY A 27 72.011 11.082 -8.785 1.00 0.00 H new ATOM 0 HA2 GLY A 27 69.528 11.508 -7.233 1.00 0.00 H new ATOM 0 HA3 GLY A 27 70.227 9.902 -7.300 1.00 0.00 H new ATOM 376 N SER A 28 70.934 11.926 -5.198 1.00 0.00 N ATOM 377 CA SER A 28 71.769 12.337 -4.074 1.00 0.00 C ATOM 378 C SER A 28 71.805 11.257 -2.998 1.00 0.00 C ATOM 379 O SER A 28 70.799 10.608 -2.710 1.00 0.00 O ATOM 380 CB SER A 28 71.233 13.640 -3.475 1.00 0.00 C ATOM 381 OG SER A 28 71.490 14.709 -4.374 1.00 0.00 O ATOM 0 H SER A 28 69.940 12.120 -5.077 1.00 0.00 H new ATOM 0 HA SER A 28 72.783 12.494 -4.442 1.00 0.00 H new ATOM 0 HB2 SER A 28 70.162 13.555 -3.289 1.00 0.00 H new ATOM 0 HB3 SER A 28 71.709 13.835 -2.514 1.00 0.00 H new ATOM 0 HG SER A 28 72.432 14.972 -4.308 1.00 0.00 H new ATOM 387 N ILE A 29 72.979 11.081 -2.402 1.00 0.00 N ATOM 388 CA ILE A 29 73.167 10.085 -1.355 1.00 0.00 C ATOM 389 C ILE A 29 72.446 10.496 -0.077 1.00 0.00 C ATOM 390 O ILE A 29 72.585 9.850 0.962 1.00 0.00 O ATOM 391 CB ILE A 29 74.657 9.879 -1.071 1.00 0.00 C ATOM 392 CG1 ILE A 29 75.301 11.145 -0.495 1.00 0.00 C ATOM 393 CG2 ILE A 29 75.365 9.464 -2.365 1.00 0.00 C ATOM 394 CD1 ILE A 29 75.182 12.330 -1.452 1.00 0.00 C ATOM 0 H ILE A 29 73.817 11.617 -2.627 1.00 0.00 H new ATOM 0 HA ILE A 29 72.741 9.145 -1.706 1.00 0.00 H new ATOM 0 HB ILE A 29 74.761 9.092 -0.324 1.00 0.00 H new ATOM 0 HG12 ILE A 29 74.826 11.395 0.453 1.00 0.00 H new ATOM 0 HG13 ILE A 29 76.353 10.953 -0.283 1.00 0.00 H new ATOM 0 HG21 ILE A 29 76.427 9.316 -2.168 1.00 0.00 H new ATOM 0 HG22 ILE A 29 74.932 8.535 -2.735 1.00 0.00 H new ATOM 0 HG23 ILE A 29 75.241 10.246 -3.114 1.00 0.00 H new ATOM 0 HD11 ILE A 29 75.651 13.207 -1.005 1.00 0.00 H new ATOM 0 HD12 ILE A 29 75.681 12.091 -2.391 1.00 0.00 H new ATOM 0 HD13 ILE A 29 74.129 12.539 -1.643 1.00 0.00 H new ATOM 406 N ALA A 30 71.733 11.616 -0.141 1.00 0.00 N ATOM 407 CA ALA A 30 70.983 12.114 1.008 1.00 0.00 C ATOM 408 C ALA A 30 69.485 11.958 0.768 1.00 0.00 C ATOM 409 O ALA A 30 68.727 11.661 1.691 1.00 0.00 O ATOM 410 CB ALA A 30 71.325 13.588 1.238 1.00 0.00 C ATOM 0 H ALA A 30 71.658 12.196 -0.976 1.00 0.00 H new ATOM 0 HA ALA A 30 71.255 11.536 1.891 1.00 0.00 H new ATOM 0 HB1 ALA A 30 70.766 13.962 2.096 1.00 0.00 H new ATOM 0 HB2 ALA A 30 72.393 13.688 1.430 1.00 0.00 H new ATOM 0 HB3 ALA A 30 71.060 14.166 0.352 1.00 0.00 H new ATOM 416 N SER A 31 69.065 12.185 -0.472 1.00 0.00 N ATOM 417 CA SER A 31 67.647 12.103 -0.806 1.00 0.00 C ATOM 418 C SER A 31 67.157 10.663 -0.695 1.00 0.00 C ATOM 419 O SER A 31 65.959 10.416 -0.562 1.00 0.00 O ATOM 420 CB SER A 31 67.399 12.610 -2.228 1.00 0.00 C ATOM 421 OG SER A 31 68.052 11.755 -3.155 1.00 0.00 O ATOM 0 H SER A 31 69.676 12.424 -1.253 1.00 0.00 H new ATOM 0 HA SER A 31 67.099 12.728 -0.101 1.00 0.00 H new ATOM 0 HB2 SER A 31 66.329 12.638 -2.434 1.00 0.00 H new ATOM 0 HB3 SER A 31 67.771 13.629 -2.332 1.00 0.00 H new ATOM 0 HG SER A 31 68.963 11.570 -2.844 1.00 0.00 H new ATOM 427 N ASN A 32 68.100 9.726 -0.642 1.00 0.00 N ATOM 428 CA ASN A 32 67.766 8.308 -0.549 1.00 0.00 C ATOM 429 C ASN A 32 68.790 7.580 0.317 1.00 0.00 C ATOM 430 O ASN A 32 69.846 8.126 0.640 1.00 0.00 O ATOM 431 CB ASN A 32 67.720 7.684 -1.949 1.00 0.00 C ATOM 432 CG ASN A 32 67.308 8.727 -2.983 1.00 0.00 C ATOM 433 OD1 ASN A 32 68.142 9.188 -3.762 1.00 0.00 O ATOM 434 ND2 ASN A 32 66.060 9.101 -3.063 1.00 0.00 N ATOM 0 H ASN A 32 69.101 9.923 -0.662 1.00 0.00 H new ATOM 0 HA ASN A 32 66.784 8.209 -0.087 1.00 0.00 H new ATOM 0 HB2 ASN A 32 68.698 7.276 -2.204 1.00 0.00 H new ATOM 0 HB3 ASN A 32 67.015 6.853 -1.961 1.00 0.00 H new ATOM 0 HD21 ASN A 32 65.774 9.776 -3.772 1.00 0.00 H new ATOM 0 HD22 ASN A 32 65.370 8.718 -2.417 1.00 0.00 H new ATOM 441 N TYR A 33 68.460 6.351 0.701 1.00 0.00 N ATOM 442 CA TYR A 33 69.330 5.556 1.562 1.00 0.00 C ATOM 443 C TYR A 33 70.415 4.885 0.723 1.00 0.00 C ATOM 444 O TYR A 33 70.190 4.588 -0.451 1.00 0.00 O ATOM 445 CB TYR A 33 68.504 4.500 2.309 1.00 0.00 C ATOM 446 CG TYR A 33 67.066 4.946 2.423 1.00 0.00 C ATOM 447 CD1 TYR A 33 66.720 5.972 3.310 1.00 0.00 C ATOM 448 CD2 TYR A 33 66.093 4.382 1.589 1.00 0.00 C ATOM 449 CE1 TYR A 33 65.382 6.366 3.430 1.00 0.00 C ATOM 450 CE2 TYR A 33 64.751 4.755 1.729 1.00 0.00 C ATOM 451 CZ TYR A 33 64.402 5.771 2.626 1.00 0.00 C ATOM 452 OH TYR A 33 63.087 6.176 2.733 1.00 0.00 O ATOM 0 H TYR A 33 67.595 5.883 0.429 1.00 0.00 H new ATOM 0 HA TYR A 33 69.805 6.209 2.294 1.00 0.00 H new ATOM 0 HB2 TYR A 33 68.556 3.547 1.782 1.00 0.00 H new ATOM 0 HB3 TYR A 33 68.922 4.337 3.303 1.00 0.00 H new ATOM 0 HD1 TYR A 33 67.483 6.458 3.900 1.00 0.00 H new ATOM 0 HD2 TYR A 33 66.378 3.660 0.838 1.00 0.00 H new ATOM 0 HE1 TYR A 33 65.106 7.129 4.143 1.00 0.00 H new ATOM 0 HE2 TYR A 33 63.988 4.260 1.147 1.00 0.00 H new ATOM 0 HH TYR A 33 62.535 5.665 2.105 1.00 0.00 H new ATOM 462 N VAL A 34 71.594 4.671 1.302 1.00 0.00 N ATOM 463 CA VAL A 34 72.697 4.045 0.578 1.00 0.00 C ATOM 464 C VAL A 34 73.191 2.830 1.357 1.00 0.00 C ATOM 465 O VAL A 34 73.320 2.884 2.580 1.00 0.00 O ATOM 466 CB VAL A 34 73.832 5.057 0.400 1.00 0.00 C ATOM 467 CG1 VAL A 34 75.041 4.383 -0.253 1.00 0.00 C ATOM 468 CG2 VAL A 34 73.354 6.202 -0.496 1.00 0.00 C ATOM 0 H VAL A 34 71.810 4.921 2.267 1.00 0.00 H new ATOM 0 HA VAL A 34 72.355 3.721 -0.405 1.00 0.00 H new ATOM 0 HB VAL A 34 74.120 5.443 1.378 1.00 0.00 H new ATOM 0 HG11 VAL A 34 75.842 5.112 -0.375 1.00 0.00 H new ATOM 0 HG12 VAL A 34 75.387 3.565 0.379 1.00 0.00 H new ATOM 0 HG13 VAL A 34 74.756 3.991 -1.229 1.00 0.00 H new ATOM 0 HG21 VAL A 34 74.160 6.924 -0.625 1.00 0.00 H new ATOM 0 HG22 VAL A 34 73.063 5.806 -1.469 1.00 0.00 H new ATOM 0 HG23 VAL A 34 72.498 6.693 -0.034 1.00 0.00 H new ATOM 478 N GLN A 35 73.486 1.742 0.650 1.00 0.00 N ATOM 479 CA GLN A 35 73.922 0.505 1.291 1.00 0.00 C ATOM 480 C GLN A 35 75.266 0.076 0.714 1.00 0.00 C ATOM 481 O GLN A 35 75.599 0.417 -0.421 1.00 0.00 O ATOM 482 CB GLN A 35 72.902 -0.608 1.039 1.00 0.00 C ATOM 483 CG GLN A 35 71.488 -0.101 1.328 1.00 0.00 C ATOM 484 CD GLN A 35 70.475 -1.187 0.979 1.00 0.00 C ATOM 485 OE1 GLN A 35 69.308 -1.096 1.361 1.00 0.00 O ATOM 486 NE2 GLN A 35 70.839 -2.187 0.224 1.00 0.00 N ATOM 0 H GLN A 35 73.431 1.692 -0.367 1.00 0.00 H new ATOM 0 HA GLN A 35 74.013 0.681 2.363 1.00 0.00 H new ATOM 0 HB2 GLN A 35 72.971 -0.948 0.006 1.00 0.00 H new ATOM 0 HB3 GLN A 35 73.125 -1.467 1.672 1.00 0.00 H new ATOM 0 HG2 GLN A 35 71.396 0.172 2.379 1.00 0.00 H new ATOM 0 HG3 GLN A 35 71.287 0.799 0.746 1.00 0.00 H new ATOM 0 HE21 GLN A 35 71.806 -2.262 -0.092 1.00 0.00 H new ATOM 0 HE22 GLN A 35 70.157 -2.894 -0.050 1.00 0.00 H new ATOM 495 N TRP A 36 76.075 -0.585 1.537 1.00 0.00 N ATOM 496 CA TRP A 36 77.388 -1.059 1.110 1.00 0.00 C ATOM 497 C TRP A 36 77.387 -2.577 0.970 1.00 0.00 C ATOM 498 O TRP A 36 76.832 -3.290 1.806 1.00 0.00 O ATOM 499 CB TRP A 36 78.449 -0.646 2.132 1.00 0.00 C ATOM 500 CG TRP A 36 78.658 0.834 2.064 1.00 0.00 C ATOM 501 CD1 TRP A 36 77.844 1.767 2.609 1.00 0.00 C ATOM 502 CD2 TRP A 36 79.680 1.567 1.325 1.00 0.00 C ATOM 503 NE1 TRP A 36 78.321 3.024 2.287 1.00 0.00 N ATOM 504 CE2 TRP A 36 79.465 2.956 1.517 1.00 0.00 C ATOM 505 CE3 TRP A 36 80.799 1.168 0.576 1.00 0.00 C ATOM 506 CZ2 TRP A 36 80.308 3.912 0.942 1.00 0.00 C ATOM 507 CZ3 TRP A 36 81.633 2.123 -0.019 1.00 0.00 C ATOM 508 CH2 TRP A 36 81.403 3.490 0.179 1.00 0.00 C ATOM 0 H TRP A 36 75.844 -0.805 2.506 1.00 0.00 H new ATOM 0 HA TRP A 36 77.618 -0.612 0.143 1.00 0.00 H new ATOM 0 HB2 TRP A 36 78.134 -0.934 3.135 1.00 0.00 H new ATOM 0 HB3 TRP A 36 79.386 -1.166 1.930 1.00 0.00 H new ATOM 0 HD1 TRP A 36 76.964 1.563 3.200 1.00 0.00 H new ATOM 0 HE1 TRP A 36 77.881 3.896 2.582 1.00 0.00 H new ATOM 0 HE3 TRP A 36 81.018 0.117 0.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 80.116 4.965 1.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 82.460 1.803 -0.635 1.00 0.00 H new ATOM 0 HH2 TRP A 36 82.070 4.219 -0.257 1.00 0.00 H new ATOM 519 N TYR A 37 78.045 -3.064 -0.078 1.00 0.00 N ATOM 520 CA TYR A 37 78.156 -4.497 -0.333 1.00 0.00 C ATOM 521 C TYR A 37 79.627 -4.877 -0.467 1.00 0.00 C ATOM 522 O TYR A 37 80.448 -4.071 -0.902 1.00 0.00 O ATOM 523 CB TYR A 37 77.383 -4.852 -1.610 1.00 0.00 C ATOM 524 CG TYR A 37 75.999 -5.360 -1.279 1.00 0.00 C ATOM 525 CD1 TYR A 37 74.939 -4.465 -1.091 1.00 0.00 C ATOM 526 CD2 TYR A 37 75.803 -6.730 -1.068 1.00 0.00 C ATOM 527 CE1 TYR A 37 73.664 -4.950 -0.772 1.00 0.00 C ATOM 528 CE2 TYR A 37 74.531 -7.215 -0.745 1.00 0.00 C ATOM 529 CZ TYR A 37 73.460 -6.325 -0.603 1.00 0.00 C ATOM 530 OH TYR A 37 72.203 -6.803 -0.292 1.00 0.00 O ATOM 0 H TYR A 37 78.514 -2.480 -0.771 1.00 0.00 H new ATOM 0 HA TYR A 37 77.727 -5.056 0.499 1.00 0.00 H new ATOM 0 HB2 TYR A 37 77.309 -3.973 -2.251 1.00 0.00 H new ATOM 0 HB3 TYR A 37 77.929 -5.611 -2.171 1.00 0.00 H new ATOM 0 HD1 TYR A 37 75.104 -3.402 -1.192 1.00 0.00 H new ATOM 0 HD2 TYR A 37 76.635 -7.413 -1.155 1.00 0.00 H new ATOM 0 HE1 TYR A 37 72.838 -4.263 -0.656 1.00 0.00 H new ATOM 0 HE2 TYR A 37 74.376 -8.275 -0.605 1.00 0.00 H new ATOM 0 HH TYR A 37 72.235 -7.779 -0.211 1.00 0.00 H new ATOM 540 N GLN A 38 79.936 -6.137 -0.174 1.00 0.00 N ATOM 541 CA GLN A 38 81.298 -6.643 -0.307 1.00 0.00 C ATOM 542 C GLN A 38 81.266 -7.933 -1.117 1.00 0.00 C ATOM 543 O GLN A 38 80.338 -8.728 -0.974 1.00 0.00 O ATOM 544 CB GLN A 38 81.891 -6.905 1.085 1.00 0.00 C ATOM 545 CG GLN A 38 82.819 -5.762 1.511 1.00 0.00 C ATOM 546 CD GLN A 38 84.209 -5.964 0.916 1.00 0.00 C ATOM 547 OE1 GLN A 38 84.379 -5.882 -0.300 1.00 0.00 O ATOM 548 NE2 GLN A 38 85.204 -6.282 1.699 1.00 0.00 N ATOM 0 H GLN A 38 79.261 -6.826 0.157 1.00 0.00 H new ATOM 0 HA GLN A 38 81.921 -5.908 -0.818 1.00 0.00 H new ATOM 0 HB2 GLN A 38 81.086 -7.015 1.812 1.00 0.00 H new ATOM 0 HB3 GLN A 38 82.445 -7.844 1.078 1.00 0.00 H new ATOM 0 HG2 GLN A 38 82.409 -4.808 1.180 1.00 0.00 H new ATOM 0 HG3 GLN A 38 82.883 -5.722 2.598 1.00 0.00 H new ATOM 0 HE21 GLN A 38 85.059 -6.349 2.706 1.00 0.00 H new ATOM 0 HE22 GLN A 38 86.126 -6.464 1.303 1.00 0.00 H new ATOM 557 N GLN A 39 82.328 -8.181 -1.878 1.00 0.00 N ATOM 558 CA GLN A 39 82.396 -9.372 -2.720 1.00 0.00 C ATOM 559 C GLN A 39 83.581 -10.232 -2.289 1.00 0.00 C ATOM 560 O GLN A 39 84.725 -9.977 -2.666 1.00 0.00 O ATOM 561 CB GLN A 39 82.529 -8.938 -4.186 1.00 0.00 C ATOM 562 CG GLN A 39 81.568 -9.715 -5.091 1.00 0.00 C ATOM 563 CD GLN A 39 81.591 -9.129 -6.498 1.00 0.00 C ATOM 564 OE1 GLN A 39 82.660 -8.971 -7.087 1.00 0.00 O ATOM 565 NE2 GLN A 39 80.469 -8.800 -7.079 1.00 0.00 N ATOM 0 H GLN A 39 83.149 -7.578 -1.929 1.00 0.00 H new ATOM 0 HA GLN A 39 81.489 -9.967 -2.613 1.00 0.00 H new ATOM 0 HB2 GLN A 39 82.327 -7.870 -4.270 1.00 0.00 H new ATOM 0 HB3 GLN A 39 83.554 -9.096 -4.522 1.00 0.00 H new ATOM 0 HG2 GLN A 39 81.853 -10.767 -5.121 1.00 0.00 H new ATOM 0 HG3 GLN A 39 80.557 -9.670 -4.686 1.00 0.00 H new ATOM 0 HE21 GLN A 39 79.584 -8.931 -6.590 1.00 0.00 H new ATOM 0 HE22 GLN A 39 80.478 -8.412 -8.022 1.00 0.00 H new ATOM 574 N ARG A 40 83.290 -11.244 -1.479 1.00 0.00 N ATOM 575 CA ARG A 40 84.314 -12.162 -0.994 1.00 0.00 C ATOM 576 C ARG A 40 84.441 -13.352 -1.944 1.00 0.00 C ATOM 577 O ARG A 40 83.457 -14.064 -2.148 1.00 0.00 O ATOM 578 CB ARG A 40 83.932 -12.663 0.400 1.00 0.00 C ATOM 579 CG ARG A 40 83.469 -11.479 1.252 1.00 0.00 C ATOM 580 CD ARG A 40 83.089 -11.956 2.655 1.00 0.00 C ATOM 581 NE ARG A 40 82.252 -10.951 3.302 1.00 0.00 N ATOM 582 CZ ARG A 40 82.406 -10.629 4.583 1.00 0.00 C ATOM 583 NH1 ARG A 40 82.648 -11.560 5.464 1.00 0.00 N ATOM 584 NH2 ARG A 40 82.409 -9.375 4.945 1.00 0.00 N ATOM 0 H ARG A 40 82.349 -11.450 -1.143 1.00 0.00 H new ATOM 0 HA ARG A 40 85.269 -11.638 -0.947 1.00 0.00 H new ATOM 0 HB2 ARG A 40 83.138 -13.406 0.327 1.00 0.00 H new ATOM 0 HB3 ARG A 40 84.785 -13.153 0.870 1.00 0.00 H new ATOM 0 HG2 ARG A 40 84.263 -10.735 1.315 1.00 0.00 H new ATOM 0 HG3 ARG A 40 82.614 -10.994 0.781 1.00 0.00 H new ATOM 0 HD2 ARG A 40 82.556 -12.905 2.596 1.00 0.00 H new ATOM 0 HD3 ARG A 40 83.988 -12.132 3.247 1.00 0.00 H new ATOM 0 HE ARG A 40 81.529 -10.482 2.756 1.00 0.00 H new ATOM 0 HH11 ARG A 40 82.719 -12.534 5.170 1.00 0.00 H new ATOM 0 HH12 ARG A 40 82.766 -11.314 6.447 1.00 0.00 H new ATOM 0 HH21 ARG A 40 82.293 -8.642 4.245 1.00 0.00 H new ATOM 0 HH22 ARG A 40 82.527 -9.128 5.928 1.00 0.00 H new ATOM 598 N PRO A 41 85.590 -13.631 -2.502 1.00 0.00 N ATOM 599 CA PRO A 41 85.723 -14.775 -3.446 1.00 0.00 C ATOM 600 C PRO A 41 85.333 -16.085 -2.769 1.00 0.00 C ATOM 601 O PRO A 41 85.616 -16.292 -1.589 1.00 0.00 O ATOM 602 CB PRO A 41 87.195 -14.780 -3.881 1.00 0.00 C ATOM 603 CG PRO A 41 87.858 -13.589 -3.263 1.00 0.00 C ATOM 604 CD PRO A 41 86.834 -12.851 -2.394 1.00 0.00 C ATOM 0 HA PRO A 41 85.059 -14.674 -4.305 1.00 0.00 H new ATOM 0 HB2 PRO A 41 87.685 -15.699 -3.560 1.00 0.00 H new ATOM 0 HB3 PRO A 41 87.273 -14.740 -4.967 1.00 0.00 H new ATOM 0 HG2 PRO A 41 88.710 -13.902 -2.659 1.00 0.00 H new ATOM 0 HG3 PRO A 41 88.243 -12.926 -4.038 1.00 0.00 H new ATOM 0 HD2 PRO A 41 87.170 -12.790 -1.359 1.00 0.00 H new ATOM 0 HD3 PRO A 41 86.688 -11.829 -2.743 1.00 0.00 H new ATOM 612 N GLY A 42 84.716 -16.982 -3.530 1.00 0.00 N ATOM 613 CA GLY A 42 84.324 -18.281 -2.997 1.00 0.00 C ATOM 614 C GLY A 42 82.962 -18.198 -2.315 1.00 0.00 C ATOM 615 O GLY A 42 82.320 -19.216 -2.058 1.00 0.00 O ATOM 0 H GLY A 42 84.478 -16.835 -4.511 1.00 0.00 H new ATOM 0 HA2 GLY A 42 84.288 -19.014 -3.803 1.00 0.00 H new ATOM 0 HA3 GLY A 42 85.072 -18.627 -2.284 1.00 0.00 H new ATOM 619 N SER A 43 82.515 -16.975 -2.046 1.00 0.00 N ATOM 620 CA SER A 43 81.211 -16.747 -1.430 1.00 0.00 C ATOM 621 C SER A 43 80.456 -15.652 -2.175 1.00 0.00 C ATOM 622 O SER A 43 80.989 -15.040 -3.102 1.00 0.00 O ATOM 623 CB SER A 43 81.393 -16.327 0.030 1.00 0.00 C ATOM 624 OG SER A 43 82.276 -17.233 0.675 1.00 0.00 O ATOM 0 H SER A 43 83.039 -16.123 -2.246 1.00 0.00 H new ATOM 0 HA SER A 43 80.639 -17.673 -1.478 1.00 0.00 H new ATOM 0 HB2 SER A 43 81.792 -15.314 0.081 1.00 0.00 H new ATOM 0 HB3 SER A 43 80.430 -16.316 0.540 1.00 0.00 H new ATOM 0 HG SER A 43 82.395 -16.964 1.610 1.00 0.00 H new ATOM 630 N SER A 44 79.186 -15.469 -1.825 1.00 0.00 N ATOM 631 CA SER A 44 78.348 -14.478 -2.492 1.00 0.00 C ATOM 632 C SER A 44 78.455 -13.131 -1.779 1.00 0.00 C ATOM 633 O SER A 44 78.870 -13.072 -0.621 1.00 0.00 O ATOM 634 CB SER A 44 76.892 -14.959 -2.503 1.00 0.00 C ATOM 635 OG SER A 44 76.051 -13.998 -1.880 1.00 0.00 O ATOM 0 H SER A 44 78.716 -15.992 -1.086 1.00 0.00 H new ATOM 0 HA SER A 44 78.690 -14.353 -3.519 1.00 0.00 H new ATOM 0 HB2 SER A 44 76.565 -15.128 -3.529 1.00 0.00 H new ATOM 0 HB3 SER A 44 76.813 -15.913 -1.982 1.00 0.00 H new ATOM 0 HG SER A 44 75.124 -14.316 -1.895 1.00 0.00 H new ATOM 641 N PRO A 45 77.942 -12.088 -2.375 1.00 0.00 N ATOM 642 CA PRO A 45 78.002 -10.730 -1.765 1.00 0.00 C ATOM 643 C PRO A 45 77.229 -10.670 -0.450 1.00 0.00 C ATOM 644 O PRO A 45 76.227 -11.365 -0.286 1.00 0.00 O ATOM 645 CB PRO A 45 77.404 -9.786 -2.817 1.00 0.00 C ATOM 646 CG PRO A 45 77.140 -10.587 -4.054 1.00 0.00 C ATOM 647 CD PRO A 45 77.564 -12.037 -3.797 1.00 0.00 C ATOM 0 HA PRO A 45 79.024 -10.449 -1.510 1.00 0.00 H new ATOM 0 HB2 PRO A 45 76.481 -9.338 -2.448 1.00 0.00 H new ATOM 0 HB3 PRO A 45 78.092 -8.968 -3.031 1.00 0.00 H new ATOM 0 HG2 PRO A 45 76.083 -10.543 -4.315 1.00 0.00 H new ATOM 0 HG3 PRO A 45 77.694 -10.175 -4.897 1.00 0.00 H new ATOM 0 HD2 PRO A 45 76.749 -12.728 -4.012 1.00 0.00 H new ATOM 0 HD3 PRO A 45 78.400 -12.321 -4.436 1.00 0.00 H new ATOM 655 N THR A 46 77.650 -9.792 0.456 1.00 0.00 N ATOM 656 CA THR A 46 76.957 -9.609 1.728 1.00 0.00 C ATOM 657 C THR A 46 76.849 -8.131 2.088 1.00 0.00 C ATOM 658 O THR A 46 77.733 -7.338 1.764 1.00 0.00 O ATOM 659 CB THR A 46 77.713 -10.342 2.839 1.00 0.00 C ATOM 660 OG1 THR A 46 77.040 -10.147 4.074 1.00 0.00 O ATOM 661 CG2 THR A 46 79.136 -9.788 2.950 1.00 0.00 C ATOM 0 H THR A 46 78.468 -9.196 0.333 1.00 0.00 H new ATOM 0 HA THR A 46 75.952 -10.018 1.626 1.00 0.00 H new ATOM 0 HB THR A 46 77.755 -11.405 2.604 1.00 0.00 H new ATOM 0 HG1 THR A 46 77.521 -10.617 4.787 1.00 0.00 H new ATOM 0 HG21 THR A 46 79.670 -10.313 3.742 1.00 0.00 H new ATOM 0 HG22 THR A 46 79.657 -9.932 2.004 1.00 0.00 H new ATOM 0 HG23 THR A 46 79.095 -8.724 3.183 1.00 0.00 H new ATOM 669 N THR A 47 75.730 -7.753 2.698 1.00 0.00 N ATOM 670 CA THR A 47 75.527 -6.371 3.118 1.00 0.00 C ATOM 671 C THR A 47 76.537 -5.978 4.193 1.00 0.00 C ATOM 672 O THR A 47 76.532 -6.549 5.284 1.00 0.00 O ATOM 673 CB THR A 47 74.101 -6.200 3.648 1.00 0.00 C ATOM 674 OG1 THR A 47 73.819 -7.219 4.595 1.00 0.00 O ATOM 675 CG2 THR A 47 73.109 -6.303 2.487 1.00 0.00 C ATOM 0 H THR A 47 74.954 -8.380 2.911 1.00 0.00 H new ATOM 0 HA THR A 47 75.674 -5.718 2.258 1.00 0.00 H new ATOM 0 HB THR A 47 74.009 -5.224 4.124 1.00 0.00 H new ATOM 0 HG1 THR A 47 74.621 -7.401 5.128 1.00 0.00 H new ATOM 0 HG21 THR A 47 72.094 -6.181 2.864 1.00 0.00 H new ATOM 0 HG22 THR A 47 73.321 -5.522 1.757 1.00 0.00 H new ATOM 0 HG23 THR A 47 73.205 -7.279 2.012 1.00 0.00 H new ATOM 683 N VAL A 48 77.216 -4.852 3.985 1.00 0.00 N ATOM 684 CA VAL A 48 78.229 -4.404 4.939 1.00 0.00 C ATOM 685 C VAL A 48 77.673 -3.304 5.837 1.00 0.00 C ATOM 686 O VAL A 48 77.829 -3.361 7.057 1.00 0.00 O ATOM 687 CB VAL A 48 79.447 -3.838 4.204 1.00 0.00 C ATOM 688 CG1 VAL A 48 80.613 -3.646 5.178 1.00 0.00 C ATOM 689 CG2 VAL A 48 79.877 -4.795 3.092 1.00 0.00 C ATOM 0 H VAL A 48 77.087 -4.241 3.178 1.00 0.00 H new ATOM 0 HA VAL A 48 78.518 -5.268 5.538 1.00 0.00 H new ATOM 0 HB VAL A 48 79.173 -2.875 3.774 1.00 0.00 H new ATOM 0 HG11 VAL A 48 81.472 -3.243 4.642 1.00 0.00 H new ATOM 0 HG12 VAL A 48 80.319 -2.952 5.966 1.00 0.00 H new ATOM 0 HG13 VAL A 48 80.879 -4.606 5.621 1.00 0.00 H new ATOM 0 HG21 VAL A 48 80.744 -4.385 2.574 1.00 0.00 H new ATOM 0 HG22 VAL A 48 80.136 -5.762 3.524 1.00 0.00 H new ATOM 0 HG23 VAL A 48 79.058 -4.922 2.384 1.00 0.00 H new ATOM 699 N ILE A 49 76.859 -2.427 5.259 1.00 0.00 N ATOM 700 CA ILE A 49 76.180 -1.397 6.037 1.00 0.00 C ATOM 701 C ILE A 49 74.797 -1.140 5.454 1.00 0.00 C ATOM 702 O ILE A 49 74.529 -1.457 4.296 1.00 0.00 O ATOM 703 CB ILE A 49 77.036 -0.125 6.043 1.00 0.00 C ATOM 704 CG1 ILE A 49 78.273 -0.393 6.908 1.00 0.00 C ATOM 705 CG2 ILE A 49 76.230 1.073 6.560 1.00 0.00 C ATOM 706 CD1 ILE A 49 79.028 0.900 7.214 1.00 0.00 C ATOM 0 H ILE A 49 76.654 -2.408 4.260 1.00 0.00 H new ATOM 0 HA ILE A 49 76.049 -1.727 7.068 1.00 0.00 H new ATOM 0 HB ILE A 49 77.349 0.127 5.030 1.00 0.00 H new ATOM 0 HG12 ILE A 49 77.971 -0.869 7.841 1.00 0.00 H new ATOM 0 HG13 ILE A 49 78.935 -1.090 6.394 1.00 0.00 H new ATOM 0 HG21 ILE A 49 76.858 1.964 6.555 1.00 0.00 H new ATOM 0 HG22 ILE A 49 75.366 1.235 5.916 1.00 0.00 H new ATOM 0 HG23 ILE A 49 75.892 0.873 7.577 1.00 0.00 H new ATOM 0 HD11 ILE A 49 79.900 0.676 7.829 1.00 0.00 H new ATOM 0 HD12 ILE A 49 79.351 1.362 6.281 1.00 0.00 H new ATOM 0 HD13 ILE A 49 78.372 1.586 7.750 1.00 0.00 H new ATOM 718 N TYR A 50 73.953 -0.482 6.244 1.00 0.00 N ATOM 719 CA TYR A 50 72.602 -0.145 5.805 1.00 0.00 C ATOM 720 C TYR A 50 72.327 1.326 6.099 1.00 0.00 C ATOM 721 O TYR A 50 72.728 1.849 7.139 1.00 0.00 O ATOM 722 CB TYR A 50 71.589 -1.047 6.525 1.00 0.00 C ATOM 723 CG TYR A 50 70.705 -1.773 5.536 1.00 0.00 C ATOM 724 CD1 TYR A 50 69.649 -1.093 4.916 1.00 0.00 C ATOM 725 CD2 TYR A 50 71.030 -3.075 5.135 1.00 0.00 C ATOM 726 CE1 TYR A 50 68.844 -1.762 3.986 1.00 0.00 C ATOM 727 CE2 TYR A 50 70.227 -3.742 4.202 1.00 0.00 C ATOM 728 CZ TYR A 50 69.142 -3.079 3.616 1.00 0.00 C ATOM 729 OH TYR A 50 68.371 -3.722 2.670 1.00 0.00 O ATOM 0 H TYR A 50 74.180 -0.172 7.189 1.00 0.00 H new ATOM 0 HA TYR A 50 72.507 -0.308 4.732 1.00 0.00 H new ATOM 0 HB2 TYR A 50 72.118 -1.771 7.144 1.00 0.00 H new ATOM 0 HB3 TYR A 50 70.974 -0.446 7.194 1.00 0.00 H new ATOM 0 HD1 TYR A 50 69.457 -0.057 5.154 1.00 0.00 H new ATOM 0 HD2 TYR A 50 71.901 -3.565 5.546 1.00 0.00 H new ATOM 0 HE1 TYR A 50 67.991 -1.261 3.553 1.00 0.00 H new ATOM 0 HE2 TYR A 50 70.444 -4.766 3.935 1.00 0.00 H new ATOM 0 HH TYR A 50 68.344 -3.186 1.850 1.00 0.00 H new ATOM 739 N GLU A 51 71.558 1.955 5.218 1.00 0.00 N ATOM 740 CA GLU A 51 71.221 3.364 5.375 1.00 0.00 C ATOM 741 C GLU A 51 72.476 4.193 5.626 1.00 0.00 C ATOM 742 O GLU A 51 72.413 5.313 6.133 1.00 0.00 O ATOM 743 CB GLU A 51 70.248 3.523 6.547 1.00 0.00 C ATOM 744 CG GLU A 51 69.578 4.900 6.511 1.00 0.00 C ATOM 745 CD GLU A 51 68.301 4.876 7.345 1.00 0.00 C ATOM 746 OE1 GLU A 51 67.394 4.149 6.976 1.00 0.00 O ATOM 747 OE2 GLU A 51 68.248 5.587 8.334 1.00 0.00 O ATOM 0 H GLU A 51 71.157 1.513 4.390 1.00 0.00 H new ATOM 0 HA GLU A 51 70.753 3.721 4.457 1.00 0.00 H new ATOM 0 HB2 GLU A 51 69.489 2.742 6.504 1.00 0.00 H new ATOM 0 HB3 GLU A 51 70.782 3.397 7.489 1.00 0.00 H new ATOM 0 HG2 GLU A 51 70.261 5.657 6.897 1.00 0.00 H new ATOM 0 HG3 GLU A 51 69.346 5.175 5.482 1.00 0.00 H new ATOM 754 N ASP A 52 73.615 3.645 5.221 1.00 0.00 N ATOM 755 CA ASP A 52 74.887 4.340 5.367 1.00 0.00 C ATOM 756 C ASP A 52 75.010 4.916 6.776 1.00 0.00 C ATOM 757 O ASP A 52 75.794 5.837 7.007 1.00 0.00 O ATOM 758 CB ASP A 52 74.995 5.454 4.317 1.00 0.00 C ATOM 759 CG ASP A 52 76.175 5.224 3.377 1.00 0.00 C ATOM 760 OD1 ASP A 52 76.096 4.304 2.580 1.00 0.00 O ATOM 761 OD2 ASP A 52 77.172 5.910 3.529 1.00 0.00 O ATOM 0 H ASP A 52 73.684 2.723 4.790 1.00 0.00 H new ATOM 0 HA ASP A 52 75.702 3.633 5.211 1.00 0.00 H new ATOM 0 HB2 ASP A 52 74.072 5.501 3.739 1.00 0.00 H new ATOM 0 HB3 ASP A 52 75.108 6.416 4.816 1.00 0.00 H new ATOM 766 N ASN A 53 74.223 4.391 7.712 1.00 0.00 N ATOM 767 CA ASN A 53 74.228 4.888 9.086 1.00 0.00 C ATOM 768 C ASN A 53 74.801 3.841 10.035 1.00 0.00 C ATOM 769 O ASN A 53 75.573 4.164 10.936 1.00 0.00 O ATOM 770 CB ASN A 53 72.804 5.249 9.513 1.00 0.00 C ATOM 771 CG ASN A 53 72.284 6.404 8.664 1.00 0.00 C ATOM 772 OD1 ASN A 53 71.123 6.792 8.785 1.00 0.00 O ATOM 773 ND2 ASN A 53 73.084 6.989 7.815 1.00 0.00 N ATOM 0 H ASN A 53 73.574 3.622 7.545 1.00 0.00 H new ATOM 0 HA ASN A 53 74.856 5.778 9.130 1.00 0.00 H new ATOM 0 HB2 ASN A 53 72.152 4.383 9.403 1.00 0.00 H new ATOM 0 HB3 ASN A 53 72.790 5.526 10.567 1.00 0.00 H new ATOM 0 HD21 ASN A 53 72.747 7.769 7.251 1.00 0.00 H new ATOM 0 HD22 ASN A 53 74.046 6.666 7.716 1.00 0.00 H new ATOM 780 N GLN A 54 74.405 2.588 9.834 1.00 0.00 N ATOM 781 CA GLN A 54 74.841 1.505 10.708 1.00 0.00 C ATOM 782 C GLN A 54 74.536 0.160 10.056 1.00 0.00 C ATOM 783 O GLN A 54 74.076 0.100 8.916 1.00 0.00 O ATOM 784 CB GLN A 54 74.154 1.614 12.076 1.00 0.00 C ATOM 785 CG GLN A 54 72.807 2.329 11.931 1.00 0.00 C ATOM 786 CD GLN A 54 71.921 2.035 13.137 1.00 0.00 C ATOM 787 OE1 GLN A 54 71.437 2.958 13.792 1.00 0.00 O ATOM 788 NE2 GLN A 54 71.686 0.796 13.474 1.00 0.00 N ATOM 0 H GLN A 54 73.786 2.298 9.077 1.00 0.00 H new ATOM 0 HA GLN A 54 75.917 1.582 10.862 1.00 0.00 H new ATOM 0 HB2 GLN A 54 74.004 0.620 12.497 1.00 0.00 H new ATOM 0 HB3 GLN A 54 74.792 2.161 12.770 1.00 0.00 H new ATOM 0 HG2 GLN A 54 72.966 3.404 11.841 1.00 0.00 H new ATOM 0 HG3 GLN A 54 72.310 2.002 11.018 1.00 0.00 H new ATOM 0 HE21 GLN A 54 72.089 0.034 12.929 1.00 0.00 H new ATOM 0 HE22 GLN A 54 71.099 0.590 14.283 1.00 0.00 H new ATOM 797 N ARG A 55 74.741 -0.920 10.806 1.00 0.00 N ATOM 798 CA ARG A 55 74.510 -2.267 10.294 1.00 0.00 C ATOM 799 C ARG A 55 73.732 -3.088 11.319 1.00 0.00 C ATOM 800 O ARG A 55 73.890 -2.871 12.521 1.00 0.00 O ATOM 801 CB ARG A 55 75.863 -2.936 10.036 1.00 0.00 C ATOM 802 CG ARG A 55 76.684 -2.978 11.334 1.00 0.00 C ATOM 803 CD ARG A 55 78.147 -2.609 11.079 1.00 0.00 C ATOM 804 NE ARG A 55 78.232 -1.344 10.355 1.00 0.00 N ATOM 805 CZ ARG A 55 78.827 -0.273 10.872 1.00 0.00 C ATOM 806 NH1 ARG A 55 79.907 -0.410 11.590 1.00 0.00 N ATOM 807 NH2 ARG A 55 78.310 0.910 10.685 1.00 0.00 N ATOM 0 H ARG A 55 75.067 -0.888 11.772 1.00 0.00 H new ATOM 0 HA ARG A 55 73.934 -2.211 9.370 1.00 0.00 H new ATOM 0 HB2 ARG A 55 75.712 -3.947 9.659 1.00 0.00 H new ATOM 0 HB3 ARG A 55 76.409 -2.388 9.268 1.00 0.00 H new ATOM 0 HG2 ARG A 55 76.254 -2.289 12.061 1.00 0.00 H new ATOM 0 HG3 ARG A 55 76.629 -3.976 11.769 1.00 0.00 H new ATOM 0 HD2 ARG A 55 78.680 -2.530 12.027 1.00 0.00 H new ATOM 0 HD3 ARG A 55 78.633 -3.398 10.505 1.00 0.00 H new ATOM 0 HE ARG A 55 77.822 -1.280 9.423 1.00 0.00 H new ATOM 0 HH11 ARG A 55 80.295 -1.339 11.755 1.00 0.00 H new ATOM 0 HH12 ARG A 55 80.363 0.411 11.987 1.00 0.00 H new ATOM 0 HH21 ARG A 55 77.452 1.012 10.143 1.00 0.00 H new ATOM 0 HH22 ARG A 55 78.764 1.733 11.080 1.00 0.00 H new ATOM 821 N PRO A 56 73.046 -4.121 10.907 1.00 0.00 N ATOM 822 CA PRO A 56 72.255 -4.957 11.854 1.00 0.00 C ATOM 823 C PRO A 56 73.147 -5.500 12.966 1.00 0.00 C ATOM 824 O PRO A 56 74.349 -5.678 12.771 1.00 0.00 O ATOM 825 CB PRO A 56 71.676 -6.086 10.990 1.00 0.00 C ATOM 826 CG PRO A 56 72.257 -5.919 9.622 1.00 0.00 C ATOM 827 CD PRO A 56 72.721 -4.466 9.512 1.00 0.00 C ATOM 0 HA PRO A 56 71.468 -4.392 12.354 1.00 0.00 H new ATOM 0 HB2 PRO A 56 71.933 -7.061 11.404 1.00 0.00 H new ATOM 0 HB3 PRO A 56 70.588 -6.030 10.958 1.00 0.00 H new ATOM 0 HG2 PRO A 56 73.092 -6.604 9.470 1.00 0.00 H new ATOM 0 HG3 PRO A 56 71.515 -6.147 8.857 1.00 0.00 H new ATOM 0 HD2 PRO A 56 73.588 -4.366 8.858 1.00 0.00 H new ATOM 0 HD3 PRO A 56 71.941 -3.822 9.107 1.00 0.00 H new ATOM 835 N SER A 57 72.598 -5.620 14.170 1.00 0.00 N ATOM 836 CA SER A 57 73.369 -6.184 15.271 1.00 0.00 C ATOM 837 C SER A 57 73.778 -7.615 14.939 1.00 0.00 C ATOM 838 O SER A 57 72.941 -8.436 14.563 1.00 0.00 O ATOM 839 CB SER A 57 72.559 -6.157 16.569 1.00 0.00 C ATOM 840 OG SER A 57 72.698 -4.882 17.180 1.00 0.00 O ATOM 0 H SER A 57 71.645 -5.342 14.405 1.00 0.00 H new ATOM 0 HA SER A 57 74.264 -5.579 15.412 1.00 0.00 H new ATOM 0 HB2 SER A 57 71.509 -6.361 16.361 1.00 0.00 H new ATOM 0 HB3 SER A 57 72.907 -6.938 17.245 1.00 0.00 H new ATOM 0 HG SER A 57 72.179 -4.859 18.011 1.00 0.00 H new ATOM 846 N GLY A 58 75.015 -7.955 15.289 1.00 0.00 N ATOM 847 CA GLY A 58 75.508 -9.320 15.136 1.00 0.00 C ATOM 848 C GLY A 58 76.611 -9.397 14.083 1.00 0.00 C ATOM 849 O GLY A 58 77.587 -10.126 14.259 1.00 0.00 O ATOM 0 H GLY A 58 75.695 -7.303 15.681 1.00 0.00 H new ATOM 0 HA2 GLY A 58 75.889 -9.681 16.092 1.00 0.00 H new ATOM 0 HA3 GLY A 58 74.685 -9.976 14.853 1.00 0.00 H new ATOM 853 N VAL A 59 76.473 -8.639 12.998 1.00 0.00 N ATOM 854 CA VAL A 59 77.506 -8.622 11.967 1.00 0.00 C ATOM 855 C VAL A 59 78.678 -7.743 12.403 1.00 0.00 C ATOM 856 O VAL A 59 78.483 -6.787 13.153 1.00 0.00 O ATOM 857 CB VAL A 59 76.915 -8.108 10.647 1.00 0.00 C ATOM 858 CG1 VAL A 59 76.121 -9.221 9.946 1.00 0.00 C ATOM 859 CG2 VAL A 59 76.009 -6.902 10.925 1.00 0.00 C ATOM 0 H VAL A 59 75.670 -8.038 12.812 1.00 0.00 H new ATOM 0 HA VAL A 59 77.874 -9.637 11.818 1.00 0.00 H new ATOM 0 HB VAL A 59 77.728 -7.801 9.989 1.00 0.00 H new ATOM 0 HG11 VAL A 59 75.708 -8.840 9.012 1.00 0.00 H new ATOM 0 HG12 VAL A 59 76.782 -10.062 9.735 1.00 0.00 H new ATOM 0 HG13 VAL A 59 75.309 -9.551 10.593 1.00 0.00 H new ATOM 0 HG21 VAL A 59 75.590 -6.538 9.987 1.00 0.00 H new ATOM 0 HG22 VAL A 59 75.200 -7.201 11.592 1.00 0.00 H new ATOM 0 HG23 VAL A 59 76.592 -6.109 11.394 1.00 0.00 H new ATOM 869 N PRO A 60 79.858 -7.972 11.887 1.00 0.00 N ATOM 870 CA PRO A 60 81.073 -7.230 12.330 1.00 0.00 C ATOM 871 C PRO A 60 80.879 -5.720 12.219 1.00 0.00 C ATOM 872 O PRO A 60 79.896 -5.255 11.642 1.00 0.00 O ATOM 873 CB PRO A 60 82.198 -7.716 11.403 1.00 0.00 C ATOM 874 CG PRO A 60 81.597 -8.732 10.484 1.00 0.00 C ATOM 875 CD PRO A 60 80.235 -9.129 11.059 1.00 0.00 C ATOM 0 HA PRO A 60 81.299 -7.419 13.379 1.00 0.00 H new ATOM 0 HB2 PRO A 60 82.618 -6.884 10.837 1.00 0.00 H new ATOM 0 HB3 PRO A 60 83.013 -8.152 11.981 1.00 0.00 H new ATOM 0 HG2 PRO A 60 81.484 -8.321 9.481 1.00 0.00 H new ATOM 0 HG3 PRO A 60 82.246 -9.604 10.400 1.00 0.00 H new ATOM 0 HD2 PRO A 60 79.505 -9.313 10.271 1.00 0.00 H new ATOM 0 HD3 PRO A 60 80.301 -10.042 11.651 1.00 0.00 H new ATOM 883 N ASP A 61 81.775 -4.962 12.847 1.00 0.00 N ATOM 884 CA ASP A 61 81.730 -3.504 12.786 1.00 0.00 C ATOM 885 C ASP A 61 82.829 -2.973 11.871 1.00 0.00 C ATOM 886 O ASP A 61 82.822 -3.249 10.673 1.00 0.00 O ATOM 887 CB ASP A 61 81.887 -2.920 14.191 1.00 0.00 C ATOM 888 CG ASP A 61 81.880 -1.396 14.131 1.00 0.00 C ATOM 889 OD1 ASP A 61 81.785 -0.870 13.034 1.00 0.00 O ATOM 890 OD2 ASP A 61 82.143 -0.787 15.155 1.00 0.00 O ATOM 0 H ASP A 61 82.543 -5.335 13.405 1.00 0.00 H new ATOM 0 HA ASP A 61 80.766 -3.200 12.379 1.00 0.00 H new ATOM 0 HB2 ASP A 61 81.077 -3.270 14.831 1.00 0.00 H new ATOM 0 HB3 ASP A 61 82.819 -3.270 14.636 1.00 0.00 H new ATOM 895 N ARG A 62 83.757 -2.209 12.438 1.00 0.00 N ATOM 896 CA ARG A 62 84.871 -1.666 11.669 1.00 0.00 C ATOM 897 C ARG A 62 84.366 -0.735 10.571 1.00 0.00 C ATOM 898 O ARG A 62 84.553 0.480 10.640 1.00 0.00 O ATOM 899 CB ARG A 62 85.680 -2.808 11.048 1.00 0.00 C ATOM 900 CG ARG A 62 85.951 -3.885 12.101 1.00 0.00 C ATOM 901 CD ARG A 62 86.684 -5.060 11.449 1.00 0.00 C ATOM 902 NE ARG A 62 88.018 -4.650 11.026 1.00 0.00 N ATOM 903 CZ ARG A 62 88.723 -5.381 10.169 1.00 0.00 C ATOM 904 NH1 ARG A 62 89.114 -6.582 10.498 1.00 0.00 N ATOM 905 NH2 ARG A 62 89.031 -4.896 8.998 1.00 0.00 N ATOM 0 H ARG A 62 83.760 -1.952 13.425 1.00 0.00 H new ATOM 0 HA ARG A 62 85.509 -1.094 12.343 1.00 0.00 H new ATOM 0 HB2 ARG A 62 85.134 -3.237 10.208 1.00 0.00 H new ATOM 0 HB3 ARG A 62 86.622 -2.426 10.654 1.00 0.00 H new ATOM 0 HG2 ARG A 62 86.551 -3.473 12.913 1.00 0.00 H new ATOM 0 HG3 ARG A 62 85.013 -4.225 12.539 1.00 0.00 H new ATOM 0 HD2 ARG A 62 86.757 -5.889 12.153 1.00 0.00 H new ATOM 0 HD3 ARG A 62 86.117 -5.420 10.591 1.00 0.00 H new ATOM 0 HE ARG A 62 88.417 -3.787 11.395 1.00 0.00 H new ATOM 0 HH11 ARG A 62 88.879 -6.962 11.415 1.00 0.00 H new ATOM 0 HH12 ARG A 62 89.655 -7.141 9.838 1.00 0.00 H new ATOM 0 HH21 ARG A 62 88.731 -3.956 8.740 1.00 0.00 H new ATOM 0 HH22 ARG A 62 89.572 -5.457 8.340 1.00 0.00 H new ATOM 919 N PHE A 63 83.703 -1.307 9.571 1.00 0.00 N ATOM 920 CA PHE A 63 83.189 -0.539 8.446 1.00 0.00 C ATOM 921 C PHE A 63 82.229 0.530 8.949 1.00 0.00 C ATOM 922 O PHE A 63 81.445 0.304 9.870 1.00 0.00 O ATOM 923 CB PHE A 63 82.504 -1.463 7.427 1.00 0.00 C ATOM 924 CG PHE A 63 82.759 -2.914 7.769 1.00 0.00 C ATOM 925 CD1 PHE A 63 84.070 -3.406 7.791 1.00 0.00 C ATOM 926 CD2 PHE A 63 81.694 -3.766 8.087 1.00 0.00 C ATOM 927 CE1 PHE A 63 84.314 -4.749 8.103 1.00 0.00 C ATOM 928 CE2 PHE A 63 81.937 -5.109 8.398 1.00 0.00 C ATOM 929 CZ PHE A 63 83.248 -5.597 8.424 1.00 0.00 C ATOM 0 H PHE A 63 83.509 -2.307 9.519 1.00 0.00 H new ATOM 0 HA PHE A 63 84.021 -0.049 7.940 1.00 0.00 H new ATOM 0 HB2 PHE A 63 81.431 -1.269 7.416 1.00 0.00 H new ATOM 0 HB3 PHE A 63 82.877 -1.249 6.425 1.00 0.00 H new ATOM 0 HD1 PHE A 63 84.896 -2.747 7.567 1.00 0.00 H new ATOM 0 HD2 PHE A 63 80.683 -3.386 8.092 1.00 0.00 H new ATOM 0 HE1 PHE A 63 85.324 -5.130 8.096 1.00 0.00 H new ATOM 0 HE2 PHE A 63 81.111 -5.769 8.618 1.00 0.00 H new ATOM 0 HZ PHE A 63 83.437 -6.626 8.691 1.00 0.00 H new ATOM 939 N SER A 64 82.272 1.683 8.293 1.00 0.00 N ATOM 940 CA SER A 64 81.374 2.778 8.655 1.00 0.00 C ATOM 941 C SER A 64 80.910 3.515 7.405 1.00 0.00 C ATOM 942 O SER A 64 81.743 4.009 6.650 1.00 0.00 O ATOM 943 CB SER A 64 82.092 3.737 9.609 1.00 0.00 C ATOM 944 OG SER A 64 81.156 4.277 10.530 1.00 0.00 O ATOM 0 H SER A 64 82.906 1.885 7.520 1.00 0.00 H new ATOM 0 HA SER A 64 80.496 2.371 9.157 1.00 0.00 H new ATOM 0 HB2 SER A 64 82.883 3.211 10.144 1.00 0.00 H new ATOM 0 HB3 SER A 64 82.568 4.539 9.045 1.00 0.00 H new ATOM 0 HG SER A 64 81.615 4.889 11.142 1.00 0.00 H new ATOM 950 N GLY A 65 79.597 3.631 7.225 1.00 0.00 N ATOM 951 CA GLY A 65 79.033 4.322 6.069 1.00 0.00 C ATOM 952 C GLY A 65 78.716 5.775 6.404 1.00 0.00 C ATOM 953 O GLY A 65 78.254 6.076 7.505 1.00 0.00 O ATOM 0 H GLY A 65 78.901 3.254 7.868 1.00 0.00 H new ATOM 0 HA2 GLY A 65 79.737 4.282 5.237 1.00 0.00 H new ATOM 0 HA3 GLY A 65 78.125 3.813 5.744 1.00 0.00 H new ATOM 957 N SER A 66 78.909 6.669 5.438 1.00 0.00 N ATOM 958 CA SER A 66 78.594 8.082 5.631 1.00 0.00 C ATOM 959 C SER A 66 78.027 8.679 4.346 1.00 0.00 C ATOM 960 O SER A 66 78.431 8.300 3.246 1.00 0.00 O ATOM 961 CB SER A 66 79.861 8.836 6.051 1.00 0.00 C ATOM 962 OG SER A 66 80.332 9.644 4.982 1.00 0.00 O ATOM 0 H SER A 66 79.281 6.441 4.516 1.00 0.00 H new ATOM 0 HA SER A 66 77.843 8.177 6.415 1.00 0.00 H new ATOM 0 HB2 SER A 66 79.650 9.458 6.921 1.00 0.00 H new ATOM 0 HB3 SER A 66 80.633 8.126 6.347 1.00 0.00 H new ATOM 0 HG SER A 66 80.722 9.073 4.288 1.00 0.00 H new ATOM 968 N ILE A 67 77.157 9.675 4.493 1.00 0.00 N ATOM 969 CA ILE A 67 76.535 10.337 3.350 1.00 0.00 C ATOM 970 C ILE A 67 76.790 11.840 3.398 1.00 0.00 C ATOM 971 O ILE A 67 76.869 12.431 4.474 1.00 0.00 O ATOM 972 CB ILE A 67 75.026 10.067 3.331 1.00 0.00 C ATOM 973 CG1 ILE A 67 74.366 10.559 4.625 1.00 0.00 C ATOM 974 CG2 ILE A 67 74.750 8.578 3.073 1.00 0.00 C ATOM 975 CD1 ILE A 67 74.796 9.754 5.856 1.00 0.00 C ATOM 0 H ILE A 67 76.866 10.043 5.399 1.00 0.00 H new ATOM 0 HA ILE A 67 76.979 9.933 2.440 1.00 0.00 H new ATOM 0 HB ILE A 67 74.580 10.630 2.511 1.00 0.00 H new ATOM 0 HG12 ILE A 67 74.616 11.609 4.778 1.00 0.00 H new ATOM 0 HG13 ILE A 67 73.283 10.501 4.519 1.00 0.00 H new ATOM 0 HG21 ILE A 67 73.674 8.404 3.063 1.00 0.00 H new ATOM 0 HG22 ILE A 67 75.173 8.291 2.110 1.00 0.00 H new ATOM 0 HG23 ILE A 67 75.207 7.981 3.863 1.00 0.00 H new ATOM 0 HD11 ILE A 67 74.297 10.148 6.741 1.00 0.00 H new ATOM 0 HD12 ILE A 67 74.522 8.708 5.720 1.00 0.00 H new ATOM 0 HD13 ILE A 67 75.876 9.833 5.983 1.00 0.00 H new ATOM 987 N ASP A 68 76.968 12.444 2.226 1.00 0.00 N ATOM 988 CA ASP A 68 77.244 13.874 2.127 1.00 0.00 C ATOM 989 C ASP A 68 76.181 14.568 1.280 1.00 0.00 C ATOM 990 O ASP A 68 76.420 14.864 0.110 1.00 0.00 O ATOM 991 CB ASP A 68 78.609 14.092 1.473 1.00 0.00 C ATOM 992 CG ASP A 68 79.650 13.160 2.084 1.00 0.00 C ATOM 993 OD1 ASP A 68 79.303 12.437 3.003 1.00 0.00 O ATOM 994 OD2 ASP A 68 80.804 13.263 1.703 1.00 0.00 O ATOM 0 H ASP A 68 76.926 11.962 1.328 1.00 0.00 H new ATOM 0 HA ASP A 68 77.236 14.294 3.133 1.00 0.00 H new ATOM 0 HB2 ASP A 68 78.537 13.913 0.400 1.00 0.00 H new ATOM 0 HB3 ASP A 68 78.920 15.129 1.603 1.00 0.00 H new ATOM 999 N SER A 69 75.142 15.074 1.933 1.00 0.00 N ATOM 1000 CA SER A 69 74.071 15.748 1.208 1.00 0.00 C ATOM 1001 C SER A 69 74.629 16.902 0.381 1.00 0.00 C ATOM 1002 O SER A 69 74.108 17.223 -0.687 1.00 0.00 O ATOM 1003 CB SER A 69 73.024 16.263 2.199 1.00 0.00 C ATOM 1004 OG SER A 69 72.910 15.345 3.277 1.00 0.00 O ATOM 0 H SER A 69 75.018 15.033 2.945 1.00 0.00 H new ATOM 0 HA SER A 69 73.602 15.037 0.529 1.00 0.00 H new ATOM 0 HB2 SER A 69 73.311 17.246 2.572 1.00 0.00 H new ATOM 0 HB3 SER A 69 72.061 16.380 1.701 1.00 0.00 H new ATOM 0 HG SER A 69 72.242 15.671 3.915 1.00 0.00 H new ATOM 1010 N SER A 70 75.668 17.546 0.903 1.00 0.00 N ATOM 1011 CA SER A 70 76.254 18.702 0.235 1.00 0.00 C ATOM 1012 C SER A 70 77.175 18.271 -0.902 1.00 0.00 C ATOM 1013 O SER A 70 77.063 18.763 -2.024 1.00 0.00 O ATOM 1014 CB SER A 70 77.073 19.507 1.243 1.00 0.00 C ATOM 1015 OG SER A 70 76.276 19.784 2.386 1.00 0.00 O ATOM 0 H SER A 70 76.119 17.289 1.781 1.00 0.00 H new ATOM 0 HA SER A 70 75.443 19.305 -0.174 1.00 0.00 H new ATOM 0 HB2 SER A 70 77.963 18.949 1.533 1.00 0.00 H new ATOM 0 HB3 SER A 70 77.414 20.438 0.790 1.00 0.00 H new ATOM 0 HG SER A 70 76.801 20.299 3.034 1.00 0.00 H new ATOM 1021 N SER A 71 78.096 17.362 -0.602 1.00 0.00 N ATOM 1022 CA SER A 71 79.070 16.933 -1.598 1.00 0.00 C ATOM 1023 C SER A 71 78.408 15.968 -2.576 1.00 0.00 C ATOM 1024 O SER A 71 79.070 15.368 -3.423 1.00 0.00 O ATOM 1025 CB SER A 71 80.266 16.260 -0.920 1.00 0.00 C ATOM 1026 OG SER A 71 81.397 16.361 -1.773 1.00 0.00 O ATOM 0 H SER A 71 78.189 16.913 0.309 1.00 0.00 H new ATOM 0 HA SER A 71 79.430 17.806 -2.142 1.00 0.00 H new ATOM 0 HB2 SER A 71 80.473 16.737 0.038 1.00 0.00 H new ATOM 0 HB3 SER A 71 80.042 15.213 -0.714 1.00 0.00 H new ATOM 0 HG SER A 71 81.148 16.085 -2.680 1.00 0.00 H new ATOM 1032 N ASN A 72 77.118 15.737 -2.361 1.00 0.00 N ATOM 1033 CA ASN A 72 76.359 14.852 -3.238 1.00 0.00 C ATOM 1034 C ASN A 72 77.121 13.551 -3.477 1.00 0.00 C ATOM 1035 O ASN A 72 77.019 12.955 -4.549 1.00 0.00 O ATOM 1036 CB ASN A 72 76.078 15.533 -4.580 1.00 0.00 C ATOM 1037 CG ASN A 72 74.916 14.842 -5.288 1.00 0.00 C ATOM 1038 OD1 ASN A 72 73.784 15.323 -5.238 1.00 0.00 O ATOM 1039 ND2 ASN A 72 75.110 13.690 -5.869 1.00 0.00 N ATOM 0 H ASN A 72 76.580 16.145 -1.596 1.00 0.00 H new ATOM 0 HA ASN A 72 75.412 14.626 -2.748 1.00 0.00 H new ATOM 0 HB2 ASN A 72 75.842 16.585 -4.420 1.00 0.00 H new ATOM 0 HB3 ASN A 72 76.969 15.498 -5.208 1.00 0.00 H new ATOM 0 HD21 ASN A 72 74.324 13.188 -6.282 1.00 0.00 H new ATOM 0 HD22 ASN A 72 76.048 13.291 -5.911 1.00 0.00 H new ATOM 1046 N SER A 73 77.934 13.142 -2.505 1.00 0.00 N ATOM 1047 CA SER A 73 78.703 11.905 -2.625 1.00 0.00 C ATOM 1048 C SER A 73 78.690 11.140 -1.304 1.00 0.00 C ATOM 1049 O SER A 73 78.556 11.737 -0.237 1.00 0.00 O ATOM 1050 CB SER A 73 80.149 12.233 -3.006 1.00 0.00 C ATOM 1051 OG SER A 73 80.883 12.564 -1.836 1.00 0.00 O ATOM 0 H SER A 73 78.077 13.646 -1.630 1.00 0.00 H new ATOM 0 HA SER A 73 78.249 11.285 -3.399 1.00 0.00 H new ATOM 0 HB2 SER A 73 80.607 11.380 -3.506 1.00 0.00 H new ATOM 0 HB3 SER A 73 80.171 13.065 -3.710 1.00 0.00 H new ATOM 0 HG SER A 73 81.809 12.773 -2.079 1.00 0.00 H new ATOM 1057 N ALA A 74 78.913 9.830 -1.349 1.00 0.00 N ATOM 1058 CA ALA A 74 78.909 9.022 -0.132 1.00 0.00 C ATOM 1059 C ALA A 74 80.326 8.566 0.194 1.00 0.00 C ATOM 1060 O ALA A 74 81.193 8.535 -0.678 1.00 0.00 O ATOM 1061 CB ALA A 74 78.028 7.784 -0.316 1.00 0.00 C ATOM 0 H ALA A 74 79.097 9.308 -2.206 1.00 0.00 H new ATOM 0 HA ALA A 74 78.516 9.632 0.681 1.00 0.00 H new ATOM 0 HB1 ALA A 74 78.036 7.193 0.600 1.00 0.00 H new ATOM 0 HB2 ALA A 74 77.007 8.094 -0.539 1.00 0.00 H new ATOM 0 HB3 ALA A 74 78.413 7.183 -1.140 1.00 0.00 H new ATOM 1067 N SER A 75 80.581 8.324 1.476 1.00 0.00 N ATOM 1068 CA SER A 75 81.918 7.929 1.911 1.00 0.00 C ATOM 1069 C SER A 75 81.840 6.981 3.104 1.00 0.00 C ATOM 1070 O SER A 75 81.163 7.274 4.089 1.00 0.00 O ATOM 1071 CB SER A 75 82.728 9.175 2.280 1.00 0.00 C ATOM 1072 OG SER A 75 82.306 10.262 1.470 1.00 0.00 O ATOM 0 H SER A 75 79.891 8.393 2.224 1.00 0.00 H new ATOM 0 HA SER A 75 82.412 7.406 1.092 1.00 0.00 H new ATOM 0 HB2 SER A 75 82.588 9.415 3.334 1.00 0.00 H new ATOM 0 HB3 SER A 75 83.792 8.988 2.134 1.00 0.00 H new ATOM 0 HG SER A 75 82.820 11.063 1.703 1.00 0.00 H new ATOM 1078 N LEU A 76 82.537 5.851 3.011 1.00 0.00 N ATOM 1079 CA LEU A 76 82.614 4.902 4.119 1.00 0.00 C ATOM 1080 C LEU A 76 83.977 4.995 4.799 1.00 0.00 C ATOM 1081 O LEU A 76 85.002 5.050 4.124 1.00 0.00 O ATOM 1082 CB LEU A 76 82.305 3.483 3.618 1.00 0.00 C ATOM 1083 CG LEU A 76 83.126 2.399 4.331 1.00 0.00 C ATOM 1084 CD1 LEU A 76 82.434 1.043 4.149 1.00 0.00 C ATOM 1085 CD2 LEU A 76 84.565 2.341 3.798 1.00 0.00 C ATOM 0 H LEU A 76 83.057 5.570 2.180 1.00 0.00 H new ATOM 0 HA LEU A 76 81.864 5.152 4.869 1.00 0.00 H new ATOM 0 HB2 LEU A 76 81.244 3.278 3.759 1.00 0.00 H new ATOM 0 HB3 LEU A 76 82.500 3.432 2.547 1.00 0.00 H new ATOM 0 HG LEU A 76 83.182 2.645 5.391 1.00 0.00 H new ATOM 0 HD11 LEU A 76 83.012 0.269 4.653 1.00 0.00 H new ATOM 0 HD12 LEU A 76 81.433 1.085 4.578 1.00 0.00 H new ATOM 0 HD13 LEU A 76 82.364 0.810 3.087 1.00 0.00 H new ATOM 0 HD21 LEU A 76 85.117 1.563 4.325 1.00 0.00 H new ATOM 0 HD22 LEU A 76 84.549 2.116 2.732 1.00 0.00 H new ATOM 0 HD23 LEU A 76 85.051 3.303 3.958 1.00 0.00 H new ATOM 1097 N THR A 77 83.989 4.953 6.130 1.00 0.00 N ATOM 1098 CA THR A 77 85.234 4.918 6.894 1.00 0.00 C ATOM 1099 C THR A 77 85.402 3.565 7.579 1.00 0.00 C ATOM 1100 O THR A 77 84.554 3.142 8.365 1.00 0.00 O ATOM 1101 CB THR A 77 85.225 6.038 7.939 1.00 0.00 C ATOM 1102 OG1 THR A 77 85.326 7.293 7.282 1.00 0.00 O ATOM 1103 CG2 THR A 77 86.398 5.882 8.911 1.00 0.00 C ATOM 0 H THR A 77 83.146 4.942 6.704 1.00 0.00 H new ATOM 0 HA THR A 77 86.072 5.065 6.213 1.00 0.00 H new ATOM 0 HB THR A 77 84.294 5.982 8.503 1.00 0.00 H new ATOM 0 HG1 THR A 77 85.319 8.012 7.948 1.00 0.00 H new ATOM 0 HG21 THR A 77 86.372 6.688 9.645 1.00 0.00 H new ATOM 0 HG22 THR A 77 86.321 4.923 9.423 1.00 0.00 H new ATOM 0 HG23 THR A 77 87.337 5.924 8.358 1.00 0.00 H new ATOM 1111 N ILE A 78 86.526 2.910 7.307 1.00 0.00 N ATOM 1112 CA ILE A 78 86.841 1.619 7.913 1.00 0.00 C ATOM 1113 C ILE A 78 87.967 1.798 8.930 1.00 0.00 C ATOM 1114 O ILE A 78 89.064 2.229 8.576 1.00 0.00 O ATOM 1115 CB ILE A 78 87.262 0.668 6.789 1.00 0.00 C ATOM 1116 CG1 ILE A 78 86.039 0.031 6.121 1.00 0.00 C ATOM 1117 CG2 ILE A 78 88.194 -0.432 7.311 1.00 0.00 C ATOM 1118 CD1 ILE A 78 86.414 -0.490 4.731 1.00 0.00 C ATOM 0 H ILE A 78 87.240 3.255 6.665 1.00 0.00 H new ATOM 0 HA ILE A 78 85.978 1.207 8.437 1.00 0.00 H new ATOM 0 HB ILE A 78 87.801 1.261 6.050 1.00 0.00 H new ATOM 0 HG12 ILE A 78 85.663 -0.787 6.736 1.00 0.00 H new ATOM 0 HG13 ILE A 78 85.236 0.764 6.039 1.00 0.00 H new ATOM 0 HG21 ILE A 78 88.475 -1.091 6.489 1.00 0.00 H new ATOM 0 HG22 ILE A 78 89.090 0.021 7.736 1.00 0.00 H new ATOM 0 HG23 ILE A 78 87.680 -1.009 8.080 1.00 0.00 H new ATOM 0 HD11 ILE A 78 85.539 -0.941 4.263 1.00 0.00 H new ATOM 0 HD12 ILE A 78 86.768 0.337 4.116 1.00 0.00 H new ATOM 0 HD13 ILE A 78 87.202 -1.237 4.823 1.00 0.00 H new ATOM 1130 N SER A 79 87.749 1.310 10.148 1.00 0.00 N ATOM 1131 CA SER A 79 88.754 1.402 11.204 1.00 0.00 C ATOM 1132 C SER A 79 89.421 0.048 11.427 1.00 0.00 C ATOM 1133 O SER A 79 88.774 -0.995 11.332 1.00 0.00 O ATOM 1134 CB SER A 79 88.102 1.868 12.507 1.00 0.00 C ATOM 1135 OG SER A 79 87.273 0.834 13.016 1.00 0.00 O ATOM 0 H SER A 79 86.885 0.846 10.429 1.00 0.00 H new ATOM 0 HA SER A 79 89.511 2.124 10.897 1.00 0.00 H new ATOM 0 HB2 SER A 79 88.868 2.127 13.237 1.00 0.00 H new ATOM 0 HB3 SER A 79 87.513 2.768 12.330 1.00 0.00 H new ATOM 0 HG SER A 79 86.856 1.131 13.852 1.00 0.00 H new ATOM 1141 N GLY A 80 90.713 0.070 11.739 1.00 0.00 N ATOM 1142 CA GLY A 80 91.447 -1.160 12.013 1.00 0.00 C ATOM 1143 C GLY A 80 91.224 -2.188 10.908 1.00 0.00 C ATOM 1144 O GLY A 80 90.594 -3.222 11.126 1.00 0.00 O ATOM 0 H GLY A 80 91.271 0.921 11.808 1.00 0.00 H new ATOM 0 HA2 GLY A 80 92.511 -0.941 12.101 1.00 0.00 H new ATOM 0 HA3 GLY A 80 91.127 -1.574 12.969 1.00 0.00 H new ATOM 1148 N LEU A 81 91.712 -1.878 9.712 1.00 0.00 N ATOM 1149 CA LEU A 81 91.564 -2.782 8.577 1.00 0.00 C ATOM 1150 C LEU A 81 92.487 -3.988 8.724 1.00 0.00 C ATOM 1151 O LEU A 81 93.568 -3.873 9.302 1.00 0.00 O ATOM 1152 CB LEU A 81 91.856 -2.020 7.280 1.00 0.00 C ATOM 1153 CG LEU A 81 93.368 -1.837 7.075 1.00 0.00 C ATOM 1154 CD1 LEU A 81 93.914 -2.877 6.092 1.00 0.00 C ATOM 1155 CD2 LEU A 81 93.666 -0.446 6.513 1.00 0.00 C ATOM 0 H LEU A 81 92.211 -1.013 9.504 1.00 0.00 H new ATOM 0 HA LEU A 81 90.540 -3.155 8.545 1.00 0.00 H new ATOM 0 HB2 LEU A 81 91.434 -2.562 6.433 1.00 0.00 H new ATOM 0 HB3 LEU A 81 91.369 -1.045 7.310 1.00 0.00 H new ATOM 0 HG LEU A 81 93.848 -1.960 8.046 1.00 0.00 H new ATOM 0 HD11 LEU A 81 94.986 -2.728 5.963 1.00 0.00 H new ATOM 0 HD12 LEU A 81 93.732 -3.878 6.483 1.00 0.00 H new ATOM 0 HD13 LEU A 81 93.414 -2.766 5.130 1.00 0.00 H new ATOM 0 HD21 LEU A 81 94.741 -0.333 6.374 1.00 0.00 H new ATOM 0 HD22 LEU A 81 93.161 -0.325 5.555 1.00 0.00 H new ATOM 0 HD23 LEU A 81 93.308 0.312 7.210 1.00 0.00 H new ATOM 1167 N LYS A 82 92.116 -5.106 8.107 1.00 0.00 N ATOM 1168 CA LYS A 82 92.939 -6.311 8.156 1.00 0.00 C ATOM 1169 C LYS A 82 92.834 -7.092 6.849 1.00 0.00 C ATOM 1170 O LYS A 82 91.974 -6.807 6.015 1.00 0.00 O ATOM 1171 CB LYS A 82 92.490 -7.196 9.321 1.00 0.00 C ATOM 1172 CG LYS A 82 92.463 -6.373 10.612 1.00 0.00 C ATOM 1173 CD LYS A 82 92.425 -7.302 11.829 1.00 0.00 C ATOM 1174 CE LYS A 82 93.783 -7.976 12.052 1.00 0.00 C ATOM 1175 NZ LYS A 82 93.948 -8.284 13.500 1.00 0.00 N ATOM 0 H LYS A 82 91.255 -5.203 7.569 1.00 0.00 H new ATOM 0 HA LYS A 82 93.978 -6.014 8.300 1.00 0.00 H new ATOM 0 HB2 LYS A 82 91.501 -7.606 9.119 1.00 0.00 H new ATOM 0 HB3 LYS A 82 93.169 -8.041 9.431 1.00 0.00 H new ATOM 0 HG2 LYS A 82 93.343 -5.732 10.662 1.00 0.00 H new ATOM 0 HG3 LYS A 82 91.591 -5.719 10.617 1.00 0.00 H new ATOM 0 HD2 LYS A 82 92.148 -6.733 12.716 1.00 0.00 H new ATOM 0 HD3 LYS A 82 91.657 -8.062 11.686 1.00 0.00 H new ATOM 0 HE2 LYS A 82 93.848 -8.891 11.464 1.00 0.00 H new ATOM 0 HE3 LYS A 82 94.587 -7.322 11.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 94.869 -8.742 13.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 93.903 -7.402 14.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 93.188 -8.923 13.808 1.00 0.00 H new ATOM 1189 N THR A 83 93.736 -8.049 6.650 1.00 0.00 N ATOM 1190 CA THR A 83 93.719 -8.854 5.438 1.00 0.00 C ATOM 1191 C THR A 83 92.401 -9.604 5.293 1.00 0.00 C ATOM 1192 O THR A 83 91.925 -9.829 4.181 1.00 0.00 O ATOM 1193 CB THR A 83 94.882 -9.851 5.477 1.00 0.00 C ATOM 1194 OG1 THR A 83 95.997 -9.246 6.114 1.00 0.00 O ATOM 1195 CG2 THR A 83 95.294 -10.265 4.061 1.00 0.00 C ATOM 0 H THR A 83 94.480 -8.283 7.307 1.00 0.00 H new ATOM 0 HA THR A 83 93.825 -8.191 4.580 1.00 0.00 H new ATOM 0 HB THR A 83 94.558 -10.735 6.026 1.00 0.00 H new ATOM 0 HG1 THR A 83 96.742 -9.882 6.142 1.00 0.00 H new ATOM 0 HG21 THR A 83 96.121 -10.973 4.115 1.00 0.00 H new ATOM 0 HG22 THR A 83 94.448 -10.733 3.558 1.00 0.00 H new ATOM 0 HG23 THR A 83 95.607 -9.384 3.501 1.00 0.00 H new ATOM 1203 N GLU A 84 91.866 -10.068 6.417 1.00 0.00 N ATOM 1204 CA GLU A 84 90.589 -10.772 6.402 1.00 0.00 C ATOM 1205 C GLU A 84 89.522 -9.912 5.732 1.00 0.00 C ATOM 1206 O GLU A 84 88.403 -10.371 5.503 1.00 0.00 O ATOM 1207 CB GLU A 84 90.177 -11.113 7.840 1.00 0.00 C ATOM 1208 CG GLU A 84 90.683 -12.507 8.219 1.00 0.00 C ATOM 1209 CD GLU A 84 90.413 -12.780 9.694 1.00 0.00 C ATOM 1210 OE1 GLU A 84 90.031 -11.852 10.388 1.00 0.00 O ATOM 1211 OE2 GLU A 84 90.526 -13.929 10.090 1.00 0.00 O ATOM 0 H GLU A 84 92.290 -9.971 7.339 1.00 0.00 H new ATOM 0 HA GLU A 84 90.692 -11.696 5.832 1.00 0.00 H new ATOM 0 HB2 GLU A 84 90.583 -10.371 8.528 1.00 0.00 H new ATOM 0 HB3 GLU A 84 89.092 -11.074 7.934 1.00 0.00 H new ATOM 0 HG2 GLU A 84 90.189 -13.261 7.606 1.00 0.00 H new ATOM 0 HG3 GLU A 84 91.752 -12.582 8.017 1.00 0.00 H new ATOM 1218 N ASP A 85 89.878 -8.677 5.391 1.00 0.00 N ATOM 1219 CA ASP A 85 88.951 -7.781 4.708 1.00 0.00 C ATOM 1220 C ASP A 85 89.308 -7.687 3.229 1.00 0.00 C ATOM 1221 O ASP A 85 88.582 -7.075 2.445 1.00 0.00 O ATOM 1222 CB ASP A 85 89.008 -6.394 5.352 1.00 0.00 C ATOM 1223 CG ASP A 85 88.804 -6.513 6.858 1.00 0.00 C ATOM 1224 OD1 ASP A 85 89.660 -7.088 7.510 1.00 0.00 O ATOM 1225 OD2 ASP A 85 87.761 -6.087 7.327 1.00 0.00 O ATOM 0 H ASP A 85 90.797 -8.275 5.575 1.00 0.00 H new ATOM 0 HA ASP A 85 87.939 -8.176 4.799 1.00 0.00 H new ATOM 0 HB2 ASP A 85 89.969 -5.925 5.142 1.00 0.00 H new ATOM 0 HB3 ASP A 85 88.240 -5.752 4.922 1.00 0.00 H new ATOM 1230 N GLU A 86 90.442 -8.273 2.860 1.00 0.00 N ATOM 1231 CA GLU A 86 90.870 -8.265 1.465 1.00 0.00 C ATOM 1232 C GLU A 86 89.773 -8.805 0.552 1.00 0.00 C ATOM 1233 O GLU A 86 89.417 -9.981 0.629 1.00 0.00 O ATOM 1234 CB GLU A 86 92.128 -9.124 1.316 1.00 0.00 C ATOM 1235 CG GLU A 86 92.791 -8.825 -0.029 1.00 0.00 C ATOM 1236 CD GLU A 86 93.854 -9.873 -0.338 1.00 0.00 C ATOM 1237 OE1 GLU A 86 93.483 -11.017 -0.542 1.00 0.00 O ATOM 1238 OE2 GLU A 86 95.010 -9.500 -0.451 1.00 0.00 O ATOM 0 H GLU A 86 91.075 -8.754 3.499 1.00 0.00 H new ATOM 0 HA GLU A 86 91.083 -7.236 1.174 1.00 0.00 H new ATOM 0 HB2 GLU A 86 92.822 -8.916 2.130 1.00 0.00 H new ATOM 0 HB3 GLU A 86 91.870 -10.181 1.380 1.00 0.00 H new ATOM 0 HG2 GLU A 86 92.040 -8.815 -0.819 1.00 0.00 H new ATOM 0 HG3 GLU A 86 93.243 -7.834 -0.007 1.00 0.00 H new ATOM 1245 N ALA A 87 89.216 -7.940 -0.292 1.00 0.00 N ATOM 1246 CA ALA A 87 88.169 -8.358 -1.219 1.00 0.00 C ATOM 1247 C ALA A 87 87.697 -7.173 -2.059 1.00 0.00 C ATOM 1248 O ALA A 87 88.335 -6.119 -2.071 1.00 0.00 O ATOM 1249 CB ALA A 87 87.006 -8.972 -0.429 1.00 0.00 C ATOM 0 H ALA A 87 89.470 -6.954 -0.353 1.00 0.00 H new ATOM 0 HA ALA A 87 88.566 -9.110 -1.901 1.00 0.00 H new ATOM 0 HB1 ALA A 87 86.223 -9.285 -1.119 1.00 0.00 H new ATOM 0 HB2 ALA A 87 87.363 -9.836 0.131 1.00 0.00 H new ATOM 0 HB3 ALA A 87 86.605 -8.231 0.263 1.00 0.00 H new ATOM 1255 N ASP A 88 86.582 -7.350 -2.765 1.00 0.00 N ATOM 1256 CA ASP A 88 86.032 -6.297 -3.614 1.00 0.00 C ATOM 1257 C ASP A 88 84.789 -5.682 -2.976 1.00 0.00 C ATOM 1258 O ASP A 88 83.859 -6.387 -2.592 1.00 0.00 O ATOM 1259 CB ASP A 88 85.698 -6.849 -5.006 1.00 0.00 C ATOM 1260 CG ASP A 88 86.555 -8.072 -5.313 1.00 0.00 C ATOM 1261 OD1 ASP A 88 87.687 -7.892 -5.730 1.00 0.00 O ATOM 1262 OD2 ASP A 88 86.058 -9.175 -5.148 1.00 0.00 O ATOM 0 H ASP A 88 86.041 -8.215 -2.765 1.00 0.00 H new ATOM 0 HA ASP A 88 86.786 -5.517 -3.720 1.00 0.00 H new ATOM 0 HB2 ASP A 88 84.642 -7.116 -5.055 1.00 0.00 H new ATOM 0 HB3 ASP A 88 85.868 -6.080 -5.759 1.00 0.00 H new ATOM 1267 N TYR A 89 84.758 -4.354 -2.930 1.00 0.00 N ATOM 1268 CA TYR A 89 83.638 -3.617 -2.353 1.00 0.00 C ATOM 1269 C TYR A 89 82.621 -3.246 -3.428 1.00 0.00 C ATOM 1270 O TYR A 89 82.926 -3.260 -4.620 1.00 0.00 O ATOM 1271 CB TYR A 89 84.154 -2.354 -1.656 1.00 0.00 C ATOM 1272 CG TYR A 89 84.672 -2.692 -0.277 1.00 0.00 C ATOM 1273 CD1 TYR A 89 85.778 -3.538 -0.137 1.00 0.00 C ATOM 1274 CD2 TYR A 89 84.001 -2.227 0.862 1.00 0.00 C ATOM 1275 CE1 TYR A 89 86.243 -3.880 1.139 1.00 0.00 C ATOM 1276 CE2 TYR A 89 84.480 -2.551 2.137 1.00 0.00 C ATOM 1277 CZ TYR A 89 85.616 -3.357 2.276 1.00 0.00 C ATOM 1278 OH TYR A 89 86.086 -3.681 3.532 1.00 0.00 O ATOM 0 H TYR A 89 85.505 -3.760 -3.290 1.00 0.00 H new ATOM 0 HA TYR A 89 83.142 -4.255 -1.622 1.00 0.00 H new ATOM 0 HB2 TYR A 89 84.948 -1.901 -2.250 1.00 0.00 H new ATOM 0 HB3 TYR A 89 83.353 -1.618 -1.581 1.00 0.00 H new ATOM 0 HD1 TYR A 89 86.274 -3.928 -1.014 1.00 0.00 H new ATOM 0 HD2 TYR A 89 83.115 -1.619 0.756 1.00 0.00 H new ATOM 0 HE1 TYR A 89 87.085 -4.547 1.246 1.00 0.00 H new ATOM 0 HE2 TYR A 89 83.972 -2.179 3.014 1.00 0.00 H new ATOM 0 HH TYR A 89 85.539 -3.234 4.211 1.00 0.00 H new ATOM 1288 N TYR A 90 81.386 -3.002 -2.996 1.00 0.00 N ATOM 1289 CA TYR A 90 80.304 -2.605 -3.893 1.00 0.00 C ATOM 1290 C TYR A 90 79.450 -1.524 -3.233 1.00 0.00 C ATOM 1291 O TYR A 90 79.307 -1.498 -2.011 1.00 0.00 O ATOM 1292 CB TYR A 90 79.460 -3.839 -4.240 1.00 0.00 C ATOM 1293 CG TYR A 90 79.911 -4.458 -5.545 1.00 0.00 C ATOM 1294 CD1 TYR A 90 81.083 -5.223 -5.594 1.00 0.00 C ATOM 1295 CD2 TYR A 90 79.150 -4.273 -6.706 1.00 0.00 C ATOM 1296 CE1 TYR A 90 81.514 -5.767 -6.810 1.00 0.00 C ATOM 1297 CE2 TYR A 90 79.557 -4.853 -7.914 1.00 0.00 C ATOM 1298 CZ TYR A 90 80.747 -5.588 -7.969 1.00 0.00 C ATOM 1299 OH TYR A 90 81.167 -6.129 -9.167 1.00 0.00 O ATOM 0 H TYR A 90 81.108 -3.074 -2.017 1.00 0.00 H new ATOM 0 HA TYR A 90 80.717 -2.192 -4.813 1.00 0.00 H new ATOM 0 HB2 TYR A 90 79.539 -4.574 -3.439 1.00 0.00 H new ATOM 0 HB3 TYR A 90 78.410 -3.557 -4.312 1.00 0.00 H new ATOM 0 HD1 TYR A 90 81.655 -5.393 -4.694 1.00 0.00 H new ATOM 0 HD2 TYR A 90 78.247 -3.682 -6.670 1.00 0.00 H new ATOM 0 HE1 TYR A 90 82.438 -6.325 -6.855 1.00 0.00 H new ATOM 0 HE2 TYR A 90 78.954 -4.733 -8.802 1.00 0.00 H new ATOM 0 HH TYR A 90 80.519 -5.912 -9.869 1.00 0.00 H new ATOM 1309 N CYS A 91 78.876 -0.638 -4.046 1.00 0.00 N ATOM 1310 CA CYS A 91 78.018 0.443 -3.559 1.00 0.00 C ATOM 1311 C CYS A 91 76.624 0.253 -4.159 1.00 0.00 C ATOM 1312 O CYS A 91 76.493 -0.086 -5.336 1.00 0.00 O ATOM 1313 CB CYS A 91 78.601 1.800 -3.989 1.00 0.00 C ATOM 1314 SG CYS A 91 79.611 2.602 -2.712 1.00 0.00 S ATOM 0 H CYS A 91 78.992 -0.649 -5.059 1.00 0.00 H new ATOM 0 HA CYS A 91 77.960 0.422 -2.471 1.00 0.00 H new ATOM 0 HB2 CYS A 91 79.209 1.657 -4.883 1.00 0.00 H new ATOM 0 HB3 CYS A 91 77.783 2.466 -4.263 1.00 0.00 H new ATOM 1319 N GLN A 92 75.578 0.551 -3.389 1.00 0.00 N ATOM 1320 CA GLN A 92 74.210 0.510 -3.902 1.00 0.00 C ATOM 1321 C GLN A 92 73.439 1.743 -3.448 1.00 0.00 C ATOM 1322 O GLN A 92 73.588 2.188 -2.310 1.00 0.00 O ATOM 1323 CB GLN A 92 73.481 -0.735 -3.390 1.00 0.00 C ATOM 1324 CG GLN A 92 74.309 -1.984 -3.698 1.00 0.00 C ATOM 1325 CD GLN A 92 73.497 -3.240 -3.398 1.00 0.00 C ATOM 1326 OE1 GLN A 92 72.336 -3.152 -2.998 1.00 0.00 O ATOM 1327 NE2 GLN A 92 74.013 -4.412 -3.650 1.00 0.00 N ATOM 0 H GLN A 92 75.652 0.823 -2.409 1.00 0.00 H new ATOM 0 HA GLN A 92 74.261 0.483 -4.990 1.00 0.00 H new ATOM 0 HB2 GLN A 92 73.314 -0.654 -2.316 1.00 0.00 H new ATOM 0 HB3 GLN A 92 72.501 -0.813 -3.860 1.00 0.00 H new ATOM 0 HG2 GLN A 92 74.612 -1.979 -4.745 1.00 0.00 H new ATOM 0 HG3 GLN A 92 75.221 -1.981 -3.102 1.00 0.00 H new ATOM 0 HE21 GLN A 92 74.975 -4.485 -3.981 1.00 0.00 H new ATOM 0 HE22 GLN A 92 73.454 -5.255 -3.516 1.00 0.00 H new ATOM 1336 N SER A 93 72.524 2.224 -4.285 1.00 0.00 N ATOM 1337 CA SER A 93 71.746 3.411 -3.944 1.00 0.00 C ATOM 1338 C SER A 93 70.308 3.254 -4.423 1.00 0.00 C ATOM 1339 O SER A 93 69.984 2.321 -5.158 1.00 0.00 O ATOM 1340 CB SER A 93 72.372 4.647 -4.591 1.00 0.00 C ATOM 1341 OG SER A 93 72.065 4.657 -5.977 1.00 0.00 O ATOM 0 H SER A 93 72.305 1.816 -5.194 1.00 0.00 H new ATOM 0 HA SER A 93 71.747 3.531 -2.861 1.00 0.00 H new ATOM 0 HB2 SER A 93 71.993 5.552 -4.116 1.00 0.00 H new ATOM 0 HB3 SER A 93 73.452 4.640 -4.446 1.00 0.00 H new ATOM 0 HG SER A 93 72.322 5.520 -6.363 1.00 0.00 H new ATOM 1347 N TYR A 94 69.428 4.122 -3.933 1.00 0.00 N ATOM 1348 CA TYR A 94 68.015 4.070 -4.296 1.00 0.00 C ATOM 1349 C TYR A 94 67.565 5.414 -4.857 1.00 0.00 C ATOM 1350 O TYR A 94 67.864 6.467 -4.294 1.00 0.00 O ATOM 1351 CB TYR A 94 67.179 3.733 -3.060 1.00 0.00 C ATOM 1352 CG TYR A 94 67.419 2.295 -2.668 1.00 0.00 C ATOM 1353 CD1 TYR A 94 68.541 1.957 -1.903 1.00 0.00 C ATOM 1354 CD2 TYR A 94 66.517 1.301 -3.068 1.00 0.00 C ATOM 1355 CE1 TYR A 94 68.771 0.622 -1.550 1.00 0.00 C ATOM 1356 CE2 TYR A 94 66.745 -0.033 -2.711 1.00 0.00 C ATOM 1357 CZ TYR A 94 67.860 -0.369 -1.935 1.00 0.00 C ATOM 1358 OH TYR A 94 68.080 -1.683 -1.576 1.00 0.00 O ATOM 0 H TYR A 94 69.668 4.870 -3.283 1.00 0.00 H new ATOM 0 HA TYR A 94 67.876 3.301 -5.056 1.00 0.00 H new ATOM 0 HB2 TYR A 94 67.445 4.395 -2.236 1.00 0.00 H new ATOM 0 HB3 TYR A 94 66.121 3.893 -3.268 1.00 0.00 H new ATOM 0 HD1 TYR A 94 69.229 2.726 -1.585 1.00 0.00 H new ATOM 0 HD2 TYR A 94 65.647 1.564 -3.651 1.00 0.00 H new ATOM 0 HE1 TYR A 94 69.650 0.357 -0.981 1.00 0.00 H new ATOM 0 HE2 TYR A 94 66.060 -0.803 -3.034 1.00 0.00 H new ATOM 0 HH TYR A 94 68.408 -1.719 -0.653 1.00 0.00 H new ATOM 1368 N ASP A 95 66.824 5.366 -5.959 1.00 0.00 N ATOM 1369 CA ASP A 95 66.333 6.579 -6.604 1.00 0.00 C ATOM 1370 C ASP A 95 64.939 6.926 -6.090 1.00 0.00 C ATOM 1371 O ASP A 95 64.464 6.348 -5.112 1.00 0.00 O ATOM 1372 CB ASP A 95 66.291 6.383 -8.122 1.00 0.00 C ATOM 1373 CG ASP A 95 65.175 5.415 -8.498 1.00 0.00 C ATOM 1374 OD1 ASP A 95 64.627 4.800 -7.598 1.00 0.00 O ATOM 1375 OD2 ASP A 95 64.839 5.354 -9.669 1.00 0.00 O ATOM 0 H ASP A 95 66.550 4.501 -6.424 1.00 0.00 H new ATOM 0 HA ASP A 95 67.010 7.399 -6.366 1.00 0.00 H new ATOM 0 HB2 ASP A 95 66.132 7.342 -8.615 1.00 0.00 H new ATOM 0 HB3 ASP A 95 67.249 5.999 -8.473 1.00 0.00 H new ATOM 1380 N SER A 96 64.281 7.858 -6.770 1.00 0.00 N ATOM 1381 CA SER A 96 62.939 8.267 -6.379 1.00 0.00 C ATOM 1382 C SER A 96 61.988 7.075 -6.374 1.00 0.00 C ATOM 1383 O SER A 96 61.135 6.955 -5.495 1.00 0.00 O ATOM 1384 CB SER A 96 62.426 9.334 -7.348 1.00 0.00 C ATOM 1385 OG SER A 96 63.195 10.519 -7.195 1.00 0.00 O ATOM 0 H SER A 96 64.652 8.341 -7.588 1.00 0.00 H new ATOM 0 HA SER A 96 62.981 8.677 -5.370 1.00 0.00 H new ATOM 0 HB2 SER A 96 62.495 8.973 -8.374 1.00 0.00 H new ATOM 0 HB3 SER A 96 61.374 9.542 -7.153 1.00 0.00 H new ATOM 0 HG SER A 96 62.869 11.203 -7.816 1.00 0.00 H new ATOM 1391 N SER A 97 62.124 6.205 -7.371 1.00 0.00 N ATOM 1392 CA SER A 97 61.250 5.043 -7.488 1.00 0.00 C ATOM 1393 C SER A 97 61.797 3.881 -6.663 1.00 0.00 C ATOM 1394 O SER A 97 61.479 2.722 -6.926 1.00 0.00 O ATOM 1395 CB SER A 97 61.132 4.635 -8.961 1.00 0.00 C ATOM 1396 OG SER A 97 61.777 3.388 -9.180 1.00 0.00 O ATOM 0 H SER A 97 62.827 6.282 -8.106 1.00 0.00 H new ATOM 0 HA SER A 97 60.262 5.302 -7.106 1.00 0.00 H new ATOM 0 HB2 SER A 97 60.081 4.563 -9.243 1.00 0.00 H new ATOM 0 HB3 SER A 97 61.580 5.400 -9.595 1.00 0.00 H new ATOM 0 HG SER A 97 61.301 2.684 -8.692 1.00 0.00 H new ATOM 1402 N ASN A 98 62.581 4.198 -5.636 1.00 0.00 N ATOM 1403 CA ASN A 98 63.138 3.173 -4.758 1.00 0.00 C ATOM 1404 C ASN A 98 63.705 2.028 -5.593 1.00 0.00 C ATOM 1405 O ASN A 98 63.445 0.852 -5.337 1.00 0.00 O ATOM 1406 CB ASN A 98 62.088 2.682 -3.749 1.00 0.00 C ATOM 1407 CG ASN A 98 60.673 2.946 -4.253 1.00 0.00 C ATOM 1408 OD1 ASN A 98 60.074 2.093 -4.907 1.00 0.00 O ATOM 1409 ND2 ASN A 98 60.135 4.118 -4.053 1.00 0.00 N ATOM 0 H ASN A 98 62.844 5.153 -5.392 1.00 0.00 H new ATOM 0 HA ASN A 98 63.954 3.606 -4.179 1.00 0.00 H new ATOM 0 HB2 ASN A 98 62.221 1.615 -3.572 1.00 0.00 H new ATOM 0 HB3 ASN A 98 62.236 3.184 -2.793 1.00 0.00 H new ATOM 0 HD21 ASN A 98 59.215 4.329 -4.439 1.00 0.00 H new ATOM 0 HD22 ASN A 98 60.635 4.823 -3.510 1.00 0.00 H new ATOM 1416 N HIS A 99 64.489 2.382 -6.608 1.00 0.00 N ATOM 1417 CA HIS A 99 65.133 1.390 -7.464 1.00 0.00 C ATOM 1418 C HIS A 99 66.519 1.058 -6.917 1.00 0.00 C ATOM 1419 O HIS A 99 67.409 1.907 -6.898 1.00 0.00 O ATOM 1420 CB HIS A 99 65.224 1.942 -8.895 1.00 0.00 C ATOM 1421 CG HIS A 99 64.610 0.990 -9.886 1.00 0.00 C ATOM 1422 ND1 HIS A 99 63.238 0.871 -10.042 1.00 0.00 N ATOM 1423 CD2 HIS A 99 65.162 0.027 -10.697 1.00 0.00 C ATOM 1424 CE1 HIS A 99 63.015 -0.079 -10.966 1.00 0.00 C ATOM 1425 NE2 HIS A 99 64.152 -0.622 -11.405 1.00 0.00 N ATOM 0 H HIS A 99 64.694 3.349 -6.858 1.00 0.00 H new ATOM 0 HA HIS A 99 64.545 0.472 -7.479 1.00 0.00 H new ATOM 0 HB2 HIS A 99 64.716 2.905 -8.949 1.00 0.00 H new ATOM 0 HB3 HIS A 99 66.268 2.117 -9.154 1.00 0.00 H new ATOM 0 HD1 HIS A 99 62.526 1.407 -9.545 1.00 0.00 H new ATOM 0 HD2 HIS A 99 66.217 -0.193 -10.774 1.00 0.00 H new ATOM 0 HE1 HIS A 99 62.034 -0.368 -11.312 1.00 0.00 H new ATOM 1433 N VAL A 100 66.726 -0.215 -6.596 1.00 0.00 N ATOM 1434 CA VAL A 100 68.033 -0.679 -6.145 1.00 0.00 C ATOM 1435 C VAL A 100 69.014 -0.697 -7.312 1.00 0.00 C ATOM 1436 O VAL A 100 68.835 -1.439 -8.278 1.00 0.00 O ATOM 1437 CB VAL A 100 67.906 -2.076 -5.528 1.00 0.00 C ATOM 1438 CG1 VAL A 100 67.419 -3.071 -6.587 1.00 0.00 C ATOM 1439 CG2 VAL A 100 69.245 -2.534 -4.929 1.00 0.00 C ATOM 0 H VAL A 100 66.010 -0.940 -6.639 1.00 0.00 H new ATOM 0 HA VAL A 100 68.412 0.005 -5.386 1.00 0.00 H new ATOM 0 HB VAL A 100 67.175 -2.035 -4.720 1.00 0.00 H new ATOM 0 HG11 VAL A 100 67.331 -4.062 -6.142 1.00 0.00 H new ATOM 0 HG12 VAL A 100 66.446 -2.755 -6.964 1.00 0.00 H new ATOM 0 HG13 VAL A 100 68.133 -3.105 -7.410 1.00 0.00 H new ATOM 0 HG21 VAL A 100 69.129 -3.528 -4.497 1.00 0.00 H new ATOM 0 HG22 VAL A 100 70.003 -2.564 -5.712 1.00 0.00 H new ATOM 0 HG23 VAL A 100 69.554 -1.835 -4.152 1.00 0.00 H new ATOM 1449 N VAL A 101 70.037 0.148 -7.230 1.00 0.00 N ATOM 1450 CA VAL A 101 71.042 0.243 -8.283 1.00 0.00 C ATOM 1451 C VAL A 101 72.398 -0.231 -7.771 1.00 0.00 C ATOM 1452 O VAL A 101 72.668 -0.181 -6.572 1.00 0.00 O ATOM 1453 CB VAL A 101 71.149 1.691 -8.770 1.00 0.00 C ATOM 1454 CG1 VAL A 101 69.816 2.096 -9.404 1.00 0.00 C ATOM 1455 CG2 VAL A 101 71.480 2.649 -7.618 1.00 0.00 C ATOM 0 H VAL A 101 70.192 0.778 -6.443 1.00 0.00 H new ATOM 0 HA VAL A 101 70.739 -0.396 -9.113 1.00 0.00 H new ATOM 0 HB VAL A 101 71.957 1.754 -9.499 1.00 0.00 H new ATOM 0 HG11 VAL A 101 69.878 3.126 -9.755 1.00 0.00 H new ATOM 0 HG12 VAL A 101 69.598 1.438 -10.245 1.00 0.00 H new ATOM 0 HG13 VAL A 101 69.021 2.013 -8.663 1.00 0.00 H new ATOM 0 HG21 VAL A 101 71.548 3.668 -8.000 1.00 0.00 H new ATOM 0 HG22 VAL A 101 70.695 2.596 -6.864 1.00 0.00 H new ATOM 0 HG23 VAL A 101 72.432 2.365 -7.171 1.00 0.00 H new ATOM 1465 N PHE A 102 73.250 -0.675 -8.691 1.00 0.00 N ATOM 1466 CA PHE A 102 74.591 -1.139 -8.346 1.00 0.00 C ATOM 1467 C PHE A 102 75.637 -0.183 -8.909 1.00 0.00 C ATOM 1468 O PHE A 102 75.386 0.520 -9.887 1.00 0.00 O ATOM 1469 CB PHE A 102 74.822 -2.535 -8.931 1.00 0.00 C ATOM 1470 CG PHE A 102 74.071 -3.559 -8.113 1.00 0.00 C ATOM 1471 CD1 PHE A 102 72.715 -3.800 -8.366 1.00 0.00 C ATOM 1472 CD2 PHE A 102 74.745 -4.302 -7.137 1.00 0.00 C ATOM 1473 CE1 PHE A 102 72.029 -4.770 -7.625 1.00 0.00 C ATOM 1474 CE2 PHE A 102 74.065 -5.289 -6.414 1.00 0.00 C ATOM 1475 CZ PHE A 102 72.697 -5.494 -6.630 1.00 0.00 C ATOM 0 H PHE A 102 73.034 -0.723 -9.687 1.00 0.00 H new ATOM 0 HA PHE A 102 74.681 -1.175 -7.260 1.00 0.00 H new ATOM 0 HB2 PHE A 102 74.486 -2.566 -9.968 1.00 0.00 H new ATOM 0 HB3 PHE A 102 75.887 -2.767 -8.934 1.00 0.00 H new ATOM 0 HD1 PHE A 102 72.199 -3.239 -9.131 1.00 0.00 H new ATOM 0 HD2 PHE A 102 75.790 -4.114 -6.942 1.00 0.00 H new ATOM 0 HE1 PHE A 102 70.984 -4.960 -7.821 1.00 0.00 H new ATOM 0 HE2 PHE A 102 74.595 -5.891 -5.691 1.00 0.00 H new ATOM 0 HZ PHE A 102 72.157 -6.211 -6.029 1.00 0.00 H new ATOM 1485 N GLY A 103 76.772 -0.087 -8.224 1.00 0.00 N ATOM 1486 CA GLY A 103 77.853 0.793 -8.657 1.00 0.00 C ATOM 1487 C GLY A 103 78.966 0.004 -9.337 1.00 0.00 C ATOM 1488 O GLY A 103 78.960 -1.227 -9.339 1.00 0.00 O ATOM 0 H GLY A 103 76.967 -0.606 -7.368 1.00 0.00 H new ATOM 0 HA2 GLY A 103 77.462 1.542 -9.345 1.00 0.00 H new ATOM 0 HA3 GLY A 103 78.256 1.329 -7.798 1.00 0.00 H new ATOM 1492 N GLY A 104 79.949 0.724 -9.866 1.00 0.00 N ATOM 1493 CA GLY A 104 81.062 0.090 -10.561 1.00 0.00 C ATOM 1494 C GLY A 104 81.821 -0.842 -9.623 1.00 0.00 C ATOM 1495 O GLY A 104 82.281 -1.909 -10.031 1.00 0.00 O ATOM 0 H GLY A 104 79.998 1.742 -9.827 1.00 0.00 H new ATOM 0 HA2 GLY A 104 80.690 -0.472 -11.418 1.00 0.00 H new ATOM 0 HA3 GLY A 104 81.737 0.853 -10.949 1.00 0.00 H new ATOM 1499 N GLY A 105 81.883 -0.466 -8.349 1.00 0.00 N ATOM 1500 CA GLY A 105 82.542 -1.289 -7.341 1.00 0.00 C ATOM 1501 C GLY A 105 84.020 -0.931 -7.225 1.00 0.00 C ATOM 1502 O GLY A 105 84.564 -0.223 -8.072 1.00 0.00 O ATOM 0 H GLY A 105 81.485 0.402 -7.991 1.00 0.00 H new ATOM 0 HA2 GLY A 105 82.054 -1.150 -6.377 1.00 0.00 H new ATOM 0 HA3 GLY A 105 82.439 -2.342 -7.602 1.00 0.00 H new ATOM 1506 N THR A 106 84.654 -1.392 -6.150 1.00 0.00 N ATOM 1507 CA THR A 106 86.064 -1.108 -5.898 1.00 0.00 C ATOM 1508 C THR A 106 86.772 -2.373 -5.423 1.00 0.00 C ATOM 1509 O THR A 106 86.208 -3.169 -4.673 1.00 0.00 O ATOM 1510 CB THR A 106 86.182 0.014 -4.861 1.00 0.00 C ATOM 1511 OG1 THR A 106 86.096 1.259 -5.537 1.00 0.00 O ATOM 1512 CG2 THR A 106 87.515 -0.047 -4.110 1.00 0.00 C ATOM 0 H THR A 106 84.210 -1.968 -5.435 1.00 0.00 H new ATOM 0 HA THR A 106 86.544 -0.779 -6.820 1.00 0.00 H new ATOM 0 HB THR A 106 85.378 -0.101 -4.134 1.00 0.00 H new ATOM 0 HG1 THR A 106 86.391 1.148 -6.465 1.00 0.00 H new ATOM 0 HG21 THR A 106 87.561 0.765 -3.384 1.00 0.00 H new ATOM 0 HG22 THR A 106 87.597 -1.003 -3.592 1.00 0.00 H new ATOM 0 HG23 THR A 106 88.337 0.054 -4.819 1.00 0.00 H new ATOM 1520 N LYS A 107 88.045 -2.494 -5.790 1.00 0.00 N ATOM 1521 CA LYS A 107 88.866 -3.620 -5.359 1.00 0.00 C ATOM 1522 C LYS A 107 89.770 -3.216 -4.199 1.00 0.00 C ATOM 1523 O LYS A 107 90.825 -2.615 -4.405 1.00 0.00 O ATOM 1524 CB LYS A 107 89.724 -4.117 -6.523 1.00 0.00 C ATOM 1525 CG LYS A 107 90.568 -5.300 -6.045 1.00 0.00 C ATOM 1526 CD LYS A 107 91.209 -5.990 -7.251 1.00 0.00 C ATOM 1527 CE LYS A 107 91.993 -7.215 -6.774 1.00 0.00 C ATOM 1528 NZ LYS A 107 92.492 -7.973 -7.955 1.00 0.00 N ATOM 0 H LYS A 107 88.531 -1.824 -6.386 1.00 0.00 H new ATOM 0 HA LYS A 107 88.203 -4.419 -5.027 1.00 0.00 H new ATOM 0 HB2 LYS A 107 89.090 -4.418 -7.357 1.00 0.00 H new ATOM 0 HB3 LYS A 107 90.368 -3.316 -6.886 1.00 0.00 H new ATOM 0 HG2 LYS A 107 91.340 -4.955 -5.357 1.00 0.00 H new ATOM 0 HG3 LYS A 107 89.945 -6.007 -5.497 1.00 0.00 H new ATOM 0 HD2 LYS A 107 90.441 -6.290 -7.964 1.00 0.00 H new ATOM 0 HD3 LYS A 107 91.873 -5.298 -7.770 1.00 0.00 H new ATOM 0 HE2 LYS A 107 92.829 -6.904 -6.148 1.00 0.00 H new ATOM 0 HE3 LYS A 107 91.356 -7.853 -6.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 93.025 -8.806 -7.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 91.686 -8.281 -8.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 93.114 -7.362 -8.522 1.00 0.00 H new ATOM 1542 N LEU A 108 89.374 -3.579 -2.982 1.00 0.00 N ATOM 1543 CA LEU A 108 90.206 -3.320 -1.816 1.00 0.00 C ATOM 1544 C LEU A 108 91.249 -4.421 -1.666 1.00 0.00 C ATOM 1545 O LEU A 108 90.898 -5.593 -1.525 1.00 0.00 O ATOM 1546 CB LEU A 108 89.324 -3.271 -0.565 1.00 0.00 C ATOM 1547 CG LEU A 108 90.164 -3.019 0.691 1.00 0.00 C ATOM 1548 CD1 LEU A 108 90.939 -1.708 0.544 1.00 0.00 C ATOM 1549 CD2 LEU A 108 89.247 -2.931 1.914 1.00 0.00 C ATOM 0 H LEU A 108 88.491 -4.048 -2.781 1.00 0.00 H new ATOM 0 HA LEU A 108 90.715 -2.365 -1.942 1.00 0.00 H new ATOM 0 HB2 LEU A 108 88.579 -2.483 -0.672 1.00 0.00 H new ATOM 0 HB3 LEU A 108 88.782 -4.211 -0.461 1.00 0.00 H new ATOM 0 HG LEU A 108 90.867 -3.842 0.820 1.00 0.00 H new ATOM 0 HD11 LEU A 108 91.534 -1.535 1.441 1.00 0.00 H new ATOM 0 HD12 LEU A 108 91.597 -1.770 -0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 108 90.238 -0.884 0.409 1.00 0.00 H new ATOM 0 HD21 LEU A 108 89.847 -2.752 2.806 1.00 0.00 H new ATOM 0 HD22 LEU A 108 88.541 -2.112 1.781 1.00 0.00 H new ATOM 0 HD23 LEU A 108 88.700 -3.867 2.027 1.00 0.00 H new ATOM 1561 N THR A 109 92.517 -4.033 -1.576 1.00 0.00 N ATOM 1562 CA THR A 109 93.600 -4.998 -1.408 1.00 0.00 C ATOM 1563 C THR A 109 94.367 -4.723 -0.120 1.00 0.00 C ATOM 1564 O THR A 109 94.476 -3.579 0.321 1.00 0.00 O ATOM 1565 CB THR A 109 94.563 -4.917 -2.595 1.00 0.00 C ATOM 1566 OG1 THR A 109 93.902 -5.355 -3.772 1.00 0.00 O ATOM 1567 CG2 THR A 109 95.783 -5.805 -2.340 1.00 0.00 C ATOM 0 H THR A 109 92.820 -3.060 -1.616 1.00 0.00 H new ATOM 0 HA THR A 109 93.164 -5.996 -1.357 1.00 0.00 H new ATOM 0 HB THR A 109 94.889 -3.884 -2.719 1.00 0.00 H new ATOM 0 HG1 THR A 109 94.518 -5.302 -4.532 1.00 0.00 H new ATOM 0 HG21 THR A 109 96.463 -5.742 -3.189 1.00 0.00 H new ATOM 0 HG22 THR A 109 96.296 -5.469 -1.439 1.00 0.00 H new ATOM 0 HG23 THR A 109 95.460 -6.838 -2.210 1.00 0.00 H new ATOM 1575 N VAL A 110 94.799 -5.790 0.544 1.00 0.00 N ATOM 1576 CA VAL A 110 95.555 -5.672 1.788 1.00 0.00 C ATOM 1577 C VAL A 110 96.949 -6.276 1.640 1.00 0.00 C ATOM 1578 O VAL A 110 97.114 -7.342 1.047 1.00 0.00 O ATOM 1579 CB VAL A 110 94.795 -6.369 2.921 1.00 0.00 C ATOM 1580 CG1 VAL A 110 95.661 -6.381 4.187 1.00 0.00 C ATOM 1581 CG2 VAL A 110 93.479 -5.630 3.184 1.00 0.00 C ATOM 0 H VAL A 110 94.638 -6.750 0.241 1.00 0.00 H new ATOM 0 HA VAL A 110 95.669 -4.614 2.026 1.00 0.00 H new ATOM 0 HB VAL A 110 94.572 -7.397 2.636 1.00 0.00 H new ATOM 0 HG11 VAL A 110 95.120 -6.877 4.993 1.00 0.00 H new ATOM 0 HG12 VAL A 110 96.589 -6.918 3.988 1.00 0.00 H new ATOM 0 HG13 VAL A 110 95.891 -5.357 4.481 1.00 0.00 H new ATOM 0 HG21 VAL A 110 92.938 -6.126 3.990 1.00 0.00 H new ATOM 0 HG22 VAL A 110 93.691 -4.600 3.469 1.00 0.00 H new ATOM 0 HG23 VAL A 110 92.870 -5.638 2.280 1.00 0.00 H new ATOM 1591 N LEU A 111 97.952 -5.603 2.201 1.00 0.00 N ATOM 1592 CA LEU A 111 99.335 -6.072 2.134 1.00 0.00 C ATOM 1593 C LEU A 111 99.982 -5.960 3.512 1.00 0.00 C ATOM 1594 O LEU A 111 99.252 -5.844 4.482 1.00 0.00 O ATOM 1595 CB LEU A 111 100.142 -5.277 1.095 1.00 0.00 C ATOM 1596 CG LEU A 111 99.249 -4.248 0.394 1.00 0.00 C ATOM 1597 CD1 LEU A 111 98.805 -3.160 1.383 1.00 0.00 C ATOM 1598 CD2 LEU A 111 100.005 -3.623 -0.782 1.00 0.00 C ATOM 1599 OXT LEU A 111 101.199 -6.018 3.578 1.00 0.00 O ATOM 0 H LEU A 111 97.832 -4.727 2.709 1.00 0.00 H new ATOM 0 HA LEU A 111 99.332 -7.116 1.822 1.00 0.00 H new ATOM 0 HB2 LEU A 111 100.976 -4.772 1.583 1.00 0.00 H new ATOM 0 HB3 LEU A 111 100.569 -5.958 0.359 1.00 0.00 H new ATOM 0 HG LEU A 111 98.359 -4.751 0.017 1.00 0.00 H new ATOM 0 HD11 LEU A 111 98.172 -2.437 0.869 1.00 0.00 H new ATOM 0 HD12 LEU A 111 98.246 -3.617 2.199 1.00 0.00 H new ATOM 0 HD13 LEU A 111 99.683 -2.653 1.784 1.00 0.00 H new ATOM 0 HD21 LEU A 111 99.366 -2.892 -1.278 1.00 0.00 H new ATOM 0 HD22 LEU A 111 100.905 -3.129 -0.415 1.00 0.00 H new ATOM 0 HD23 LEU A 111 100.283 -4.402 -1.492 1.00 0.00 H new