USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 555 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 20 SER OG : rot 180:sc= -1.27! USER MOD Set 1.2: A 55 THR OG1 : rot -98:sc= -0.294 USER MOD Single : A 2 GLN :FLIP amide:sc= -1.29 F(o=-2.7!,f=-1.3) USER MOD Single : A 6 LYS NZ :NH3+ -161:sc= -0.272 (180deg=-1.18) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 110:sc= 1.28 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.115 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 27 LYS NZ :NH3+ -179:sc= -0.583! (180deg=-0.594!) USER MOD Single : A 29 LYS NZ :NH3+ 129:sc= 1.19 (180deg=-0.708) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 33 LYS NZ :NH3+ 177:sc= -0.0253 (180deg=-0.0537) USER MOD Single : A 40 GLN : amide:sc= -0.403 X(o=-0.4,f=-0.23) USER MOD Single : A 41 GLN :FLIP amide:sc= -2.06! C(o=-3.7!,f=-2.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.338 X(o=-0.34,f=-0.41) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -84:sc= 0.724 USER MOD Single : A 60 ASN : amide:sc= -0.206 X(o=-0.21,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.208 K(o=-0.21,f=-2.2!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -160:sc= -0.155 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.642 K(o=-0.64,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 51.335 -5.055 4.566 1.00 0.00 N ATOM 21 CA GLN A 2 52.522 -5.740 4.063 1.00 0.00 C ATOM 22 C GLN A 2 52.993 -5.107 2.764 1.00 0.00 C ATOM 23 O GLN A 2 52.262 -4.345 2.141 1.00 0.00 O ATOM 24 CB GLN A 2 52.202 -7.217 3.818 1.00 0.00 C ATOM 25 CG GLN A 2 51.565 -7.829 5.073 1.00 0.00 C ATOM 26 CD GLN A 2 51.983 -9.292 5.220 1.00 0.00 C ATOM 27 OE1 GLN A 2 53.247 -9.610 5.159 1.00 0.00 O flip ATOM 28 NE2 GLN A 2 51.134 -10.166 5.399 1.00 0.00 N flip ATOM 0 HA GLN A 2 53.313 -5.652 4.808 1.00 0.00 H new ATOM 0 HB2 GLN A 2 51.524 -7.315 2.971 1.00 0.00 H new ATOM 0 HB3 GLN A 2 53.113 -7.758 3.561 1.00 0.00 H new ATOM 0 HG2 GLN A 2 51.870 -7.266 5.955 1.00 0.00 H new ATOM 0 HG3 GLN A 2 50.479 -7.758 5.009 1.00 0.00 H new ATOM 0 HE21 GLN A 2 50.146 -9.916 5.446 1.00 0.00 H new ATOM 0 HE22 GLN A 2 51.418 -11.140 5.500 1.00 0.00 H new ATOM 37 N ILE A 3 54.218 -5.439 2.360 1.00 0.00 N ATOM 38 CA ILE A 3 54.779 -4.914 1.118 1.00 0.00 C ATOM 39 C ILE A 3 55.573 -5.998 0.414 1.00 0.00 C ATOM 40 O ILE A 3 56.243 -6.804 1.054 1.00 0.00 O ATOM 41 CB ILE A 3 55.672 -3.706 1.398 1.00 0.00 C ATOM 42 CG1 ILE A 3 54.788 -2.473 1.587 1.00 0.00 C ATOM 43 CG2 ILE A 3 56.624 -3.477 0.215 1.00 0.00 C ATOM 44 CD1 ILE A 3 55.655 -1.246 1.845 1.00 0.00 C ATOM 0 H ILE A 3 54.838 -6.066 2.872 1.00 0.00 H new ATOM 0 HA ILE A 3 53.960 -4.593 0.474 1.00 0.00 H new ATOM 0 HB ILE A 3 56.260 -3.885 2.298 1.00 0.00 H new ATOM 0 HG12 ILE A 3 54.175 -2.315 0.700 1.00 0.00 H new ATOM 0 HG13 ILE A 3 54.106 -2.629 2.423 1.00 0.00 H new ATOM 0 HG21 ILE A 3 57.258 -2.615 0.420 1.00 0.00 H new ATOM 0 HG22 ILE A 3 57.247 -4.360 0.073 1.00 0.00 H new ATOM 0 HG23 ILE A 3 56.043 -3.294 -0.689 1.00 0.00 H new ATOM 0 HD11 ILE A 3 55.018 -0.372 1.979 1.00 0.00 H new ATOM 0 HD12 ILE A 3 56.249 -1.403 2.745 1.00 0.00 H new ATOM 0 HD13 ILE A 3 56.319 -1.085 0.996 1.00 0.00 H new ATOM 56 N PHE A 4 55.493 -6.021 -0.910 1.00 0.00 N ATOM 57 CA PHE A 4 56.221 -7.019 -1.674 1.00 0.00 C ATOM 58 C PHE A 4 56.793 -6.417 -2.950 1.00 0.00 C ATOM 59 O PHE A 4 56.125 -5.668 -3.663 1.00 0.00 O ATOM 60 CB PHE A 4 55.322 -8.226 -1.957 1.00 0.00 C ATOM 61 CG PHE A 4 54.511 -8.021 -3.215 1.00 0.00 C ATOM 62 CD1 PHE A 4 53.808 -6.827 -3.425 1.00 0.00 C ATOM 63 CD2 PHE A 4 54.450 -9.044 -4.165 1.00 0.00 C ATOM 64 CE1 PHE A 4 53.049 -6.665 -4.588 1.00 0.00 C ATOM 65 CE2 PHE A 4 53.689 -8.882 -5.324 1.00 0.00 C ATOM 66 CZ PHE A 4 52.987 -7.693 -5.537 1.00 0.00 C ATOM 0 H PHE A 4 54.940 -5.370 -1.468 1.00 0.00 H new ATOM 0 HA PHE A 4 57.068 -7.369 -1.083 1.00 0.00 H new ATOM 0 HB2 PHE A 4 55.934 -9.123 -2.058 1.00 0.00 H new ATOM 0 HB3 PHE A 4 54.653 -8.390 -1.113 1.00 0.00 H new ATOM 0 HD1 PHE A 4 53.852 -6.035 -2.692 1.00 0.00 H new ATOM 0 HD2 PHE A 4 54.993 -9.963 -4.002 1.00 0.00 H new ATOM 0 HE1 PHE A 4 52.509 -5.745 -4.755 1.00 0.00 H new ATOM 0 HE2 PHE A 4 53.643 -9.675 -6.055 1.00 0.00 H new ATOM 0 HZ PHE A 4 52.397 -7.567 -6.433 1.00 0.00 H new ATOM 76 N VAL A 5 58.059 -6.729 -3.202 1.00 0.00 N ATOM 77 CA VAL A 5 58.768 -6.204 -4.362 1.00 0.00 C ATOM 78 C VAL A 5 59.025 -7.301 -5.400 1.00 0.00 C ATOM 79 O VAL A 5 59.511 -8.381 -5.069 1.00 0.00 O ATOM 80 CB VAL A 5 60.095 -5.619 -3.870 1.00 0.00 C ATOM 81 CG1 VAL A 5 60.660 -4.652 -4.901 1.00 0.00 C ATOM 82 CG2 VAL A 5 59.855 -4.874 -2.552 1.00 0.00 C ATOM 0 H VAL A 5 58.618 -7.347 -2.614 1.00 0.00 H new ATOM 0 HA VAL A 5 58.163 -5.438 -4.847 1.00 0.00 H new ATOM 0 HB VAL A 5 60.809 -6.429 -3.718 1.00 0.00 H new ATOM 0 HG11 VAL A 5 61.603 -4.244 -4.538 1.00 0.00 H new ATOM 0 HG12 VAL A 5 60.830 -5.179 -5.840 1.00 0.00 H new ATOM 0 HG13 VAL A 5 59.952 -3.840 -5.064 1.00 0.00 H new ATOM 0 HG21 VAL A 5 60.795 -4.454 -2.195 1.00 0.00 H new ATOM 0 HG22 VAL A 5 59.137 -4.070 -2.714 1.00 0.00 H new ATOM 0 HG23 VAL A 5 59.462 -5.567 -1.809 1.00 0.00 H new ATOM 92 N LYS A 6 58.699 -7.020 -6.662 1.00 0.00 N ATOM 93 CA LYS A 6 58.907 -7.995 -7.734 1.00 0.00 C ATOM 94 C LYS A 6 60.075 -7.570 -8.623 1.00 0.00 C ATOM 95 O LYS A 6 60.086 -6.461 -9.156 1.00 0.00 O ATOM 96 CB LYS A 6 57.636 -8.127 -8.585 1.00 0.00 C ATOM 97 CG LYS A 6 57.673 -9.445 -9.387 1.00 0.00 C ATOM 98 CD LYS A 6 57.342 -9.185 -10.862 1.00 0.00 C ATOM 99 CE LYS A 6 55.879 -8.747 -11.003 1.00 0.00 C ATOM 100 NZ LYS A 6 55.007 -9.634 -10.180 1.00 0.00 N ATOM 0 H LYS A 6 58.294 -6.135 -6.966 1.00 0.00 H new ATOM 0 HA LYS A 6 59.138 -8.959 -7.280 1.00 0.00 H new ATOM 0 HB2 LYS A 6 56.755 -8.107 -7.943 1.00 0.00 H new ATOM 0 HB3 LYS A 6 57.554 -7.280 -9.266 1.00 0.00 H new ATOM 0 HG2 LYS A 6 58.660 -9.900 -9.304 1.00 0.00 H new ATOM 0 HG3 LYS A 6 56.959 -10.153 -8.967 1.00 0.00 H new ATOM 0 HD2 LYS A 6 58.001 -8.414 -11.260 1.00 0.00 H new ATOM 0 HD3 LYS A 6 57.518 -10.088 -11.447 1.00 0.00 H new ATOM 0 HE2 LYS A 6 55.767 -7.711 -10.682 1.00 0.00 H new ATOM 0 HE3 LYS A 6 55.575 -8.791 -12.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 54.024 -9.559 -10.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 55.329 -10.619 -10.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 55.060 -9.344 -9.183 1.00 0.00 H new ATOM 114 N THR A 7 61.056 -8.459 -8.780 1.00 0.00 N ATOM 115 CA THR A 7 62.223 -8.160 -9.610 1.00 0.00 C ATOM 116 C THR A 7 62.055 -8.745 -11.011 1.00 0.00 C ATOM 117 O THR A 7 61.274 -9.675 -11.215 1.00 0.00 O ATOM 118 CB THR A 7 63.491 -8.733 -8.961 1.00 0.00 C ATOM 119 OG1 THR A 7 63.353 -8.699 -7.548 1.00 0.00 O ATOM 120 CG2 THR A 7 64.707 -7.900 -9.377 1.00 0.00 C ATOM 0 H THR A 7 61.067 -9.383 -8.348 1.00 0.00 H new ATOM 0 HA THR A 7 62.315 -7.077 -9.692 1.00 0.00 H new ATOM 0 HB THR A 7 63.632 -9.763 -9.290 1.00 0.00 H new ATOM 0 HG1 THR A 7 64.161 -9.066 -7.132 1.00 0.00 H new ATOM 0 HG21 THR A 7 65.605 -8.310 -8.914 1.00 0.00 H new ATOM 0 HG22 THR A 7 64.813 -7.927 -10.461 1.00 0.00 H new ATOM 0 HG23 THR A 7 64.570 -6.869 -9.052 1.00 0.00 H new ATOM 128 N LEU A 8 62.797 -8.196 -11.967 1.00 0.00 N ATOM 129 CA LEU A 8 62.730 -8.669 -13.347 1.00 0.00 C ATOM 130 C LEU A 8 63.197 -10.121 -13.430 1.00 0.00 C ATOM 131 O LEU A 8 63.157 -10.736 -14.495 1.00 0.00 O ATOM 132 CB LEU A 8 63.606 -7.777 -14.250 1.00 0.00 C ATOM 133 CG LEU A 8 62.817 -7.322 -15.493 1.00 0.00 C ATOM 134 CD1 LEU A 8 63.384 -5.994 -16.007 1.00 0.00 C ATOM 135 CD2 LEU A 8 62.942 -8.375 -16.598 1.00 0.00 C ATOM 0 H LEU A 8 63.449 -7.427 -11.814 1.00 0.00 H new ATOM 0 HA LEU A 8 61.697 -8.615 -13.690 1.00 0.00 H new ATOM 0 HB2 LEU A 8 63.946 -6.906 -13.690 1.00 0.00 H new ATOM 0 HB3 LEU A 8 64.496 -8.325 -14.558 1.00 0.00 H new ATOM 0 HG LEU A 8 61.769 -7.195 -15.221 1.00 0.00 H new ATOM 0 HD11 LEU A 8 62.824 -5.675 -16.886 1.00 0.00 H new ATOM 0 HD12 LEU A 8 63.299 -5.236 -15.228 1.00 0.00 H new ATOM 0 HD13 LEU A 8 64.433 -6.125 -16.273 1.00 0.00 H new ATOM 0 HD21 LEU A 8 62.383 -8.050 -17.475 1.00 0.00 H new ATOM 0 HD22 LEU A 8 63.992 -8.501 -16.863 1.00 0.00 H new ATOM 0 HD23 LEU A 8 62.541 -9.324 -16.243 1.00 0.00 H new ATOM 147 N THR A 9 63.640 -10.660 -12.297 1.00 0.00 N ATOM 148 CA THR A 9 64.115 -12.040 -12.250 1.00 0.00 C ATOM 149 C THR A 9 62.968 -12.988 -11.914 1.00 0.00 C ATOM 150 O THR A 9 63.177 -14.183 -11.708 1.00 0.00 O ATOM 151 CB THR A 9 65.214 -12.178 -11.193 1.00 0.00 C ATOM 152 OG1 THR A 9 64.635 -12.111 -9.898 1.00 0.00 O ATOM 153 CG2 THR A 9 66.231 -11.048 -11.354 1.00 0.00 C ATOM 0 H THR A 9 63.680 -10.166 -11.405 1.00 0.00 H new ATOM 0 HA THR A 9 64.516 -12.300 -13.230 1.00 0.00 H new ATOM 0 HB THR A 9 65.717 -13.136 -11.320 1.00 0.00 H new ATOM 0 HG1 THR A 9 65.337 -12.201 -9.221 1.00 0.00 H new ATOM 0 HG21 THR A 9 67.011 -11.150 -10.600 1.00 0.00 H new ATOM 0 HG22 THR A 9 66.678 -11.099 -12.347 1.00 0.00 H new ATOM 0 HG23 THR A 9 65.730 -10.088 -11.230 1.00 0.00 H new ATOM 161 N GLY A 10 61.755 -12.446 -11.870 1.00 0.00 N ATOM 162 CA GLY A 10 60.576 -13.250 -11.566 1.00 0.00 C ATOM 163 C GLY A 10 60.564 -13.678 -10.102 1.00 0.00 C ATOM 164 O GLY A 10 59.839 -14.596 -9.722 1.00 0.00 O ATOM 0 H GLY A 10 61.563 -11.459 -12.040 1.00 0.00 H new ATOM 0 HA2 GLY A 10 59.675 -12.678 -11.788 1.00 0.00 H new ATOM 0 HA3 GLY A 10 60.559 -14.132 -12.206 1.00 0.00 H new ATOM 168 N LYS A 11 61.371 -13.006 -9.285 1.00 0.00 N ATOM 169 CA LYS A 11 61.445 -13.326 -7.863 1.00 0.00 C ATOM 170 C LYS A 11 60.576 -12.372 -7.048 1.00 0.00 C ATOM 171 O LYS A 11 60.750 -11.155 -7.110 1.00 0.00 O ATOM 172 CB LYS A 11 62.898 -13.236 -7.380 1.00 0.00 C ATOM 173 CG LYS A 11 63.046 -13.976 -6.046 1.00 0.00 C ATOM 174 CD LYS A 11 63.303 -15.468 -6.301 1.00 0.00 C ATOM 175 CE LYS A 11 62.739 -16.296 -5.145 1.00 0.00 C ATOM 176 NZ LYS A 11 63.287 -17.681 -5.212 1.00 0.00 N ATOM 0 H LYS A 11 61.979 -12.242 -9.581 1.00 0.00 H new ATOM 0 HA LYS A 11 61.077 -14.342 -7.722 1.00 0.00 H new ATOM 0 HB2 LYS A 11 63.566 -13.670 -8.124 1.00 0.00 H new ATOM 0 HB3 LYS A 11 63.188 -12.192 -7.262 1.00 0.00 H new ATOM 0 HG2 LYS A 11 63.869 -13.549 -5.473 1.00 0.00 H new ATOM 0 HG3 LYS A 11 62.143 -13.851 -5.449 1.00 0.00 H new ATOM 0 HD2 LYS A 11 62.838 -15.771 -7.239 1.00 0.00 H new ATOM 0 HD3 LYS A 11 64.373 -15.650 -6.403 1.00 0.00 H new ATOM 0 HE2 LYS A 11 63.001 -15.836 -4.192 1.00 0.00 H new ATOM 0 HE3 LYS A 11 61.651 -16.321 -5.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 62.904 -18.244 -4.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 63.016 -18.118 -6.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 64.324 -17.648 -5.141 1.00 0.00 H new ATOM 190 N THR A 12 59.645 -12.937 -6.281 1.00 0.00 N ATOM 191 CA THR A 12 58.756 -12.130 -5.448 1.00 0.00 C ATOM 192 C THR A 12 59.239 -12.140 -4.001 1.00 0.00 C ATOM 193 O THR A 12 59.335 -13.196 -3.377 1.00 0.00 O ATOM 194 CB THR A 12 57.319 -12.668 -5.513 1.00 0.00 C ATOM 195 OG1 THR A 12 56.540 -12.032 -4.510 1.00 0.00 O ATOM 196 CG2 THR A 12 57.310 -14.181 -5.277 1.00 0.00 C ATOM 0 H THR A 12 59.487 -13.943 -6.219 1.00 0.00 H new ATOM 0 HA THR A 12 58.768 -11.108 -5.826 1.00 0.00 H new ATOM 0 HB THR A 12 56.903 -12.461 -6.499 1.00 0.00 H new ATOM 0 HG1 THR A 12 55.621 -12.370 -4.547 1.00 0.00 H new ATOM 0 HG21 THR A 12 56.286 -14.551 -5.325 1.00 0.00 H new ATOM 0 HG22 THR A 12 57.910 -14.672 -6.043 1.00 0.00 H new ATOM 0 HG23 THR A 12 57.728 -14.398 -4.294 1.00 0.00 H new ATOM 204 N ILE A 13 59.542 -10.957 -3.475 1.00 0.00 N ATOM 205 CA ILE A 13 60.014 -10.838 -2.098 1.00 0.00 C ATOM 206 C ILE A 13 59.033 -10.011 -1.274 1.00 0.00 C ATOM 207 O ILE A 13 58.910 -8.801 -1.467 1.00 0.00 O ATOM 208 CB ILE A 13 61.396 -10.172 -2.079 1.00 0.00 C ATOM 209 CG1 ILE A 13 61.956 -10.188 -0.657 1.00 0.00 C ATOM 210 CG2 ILE A 13 61.285 -8.722 -2.560 1.00 0.00 C ATOM 211 CD1 ILE A 13 63.433 -9.779 -0.680 1.00 0.00 C ATOM 0 H ILE A 13 59.470 -10.072 -3.977 1.00 0.00 H new ATOM 0 HA ILE A 13 60.087 -11.835 -1.663 1.00 0.00 H new ATOM 0 HB ILE A 13 62.062 -10.723 -2.742 1.00 0.00 H new ATOM 0 HG12 ILE A 13 61.389 -9.505 -0.025 1.00 0.00 H new ATOM 0 HG13 ILE A 13 61.851 -11.183 -0.225 1.00 0.00 H new ATOM 0 HG21 ILE A 13 62.271 -8.257 -2.543 1.00 0.00 H new ATOM 0 HG22 ILE A 13 60.893 -8.705 -3.577 1.00 0.00 H new ATOM 0 HG23 ILE A 13 60.613 -8.171 -1.903 1.00 0.00 H new ATOM 0 HD11 ILE A 13 63.830 -9.791 0.335 1.00 0.00 H new ATOM 0 HD12 ILE A 13 63.995 -10.480 -1.298 1.00 0.00 H new ATOM 0 HD13 ILE A 13 63.526 -8.775 -1.094 1.00 0.00 H new ATOM 223 N THR A 14 58.336 -10.672 -0.354 1.00 0.00 N ATOM 224 CA THR A 14 57.371 -9.987 0.498 1.00 0.00 C ATOM 225 C THR A 14 57.976 -9.729 1.875 1.00 0.00 C ATOM 226 O THR A 14 58.653 -10.590 2.437 1.00 0.00 O ATOM 227 CB THR A 14 56.097 -10.825 0.638 1.00 0.00 C ATOM 228 OG1 THR A 14 55.153 -10.118 1.431 1.00 0.00 O ATOM 229 CG2 THR A 14 56.425 -12.162 1.303 1.00 0.00 C ATOM 0 H THR A 14 58.421 -11.674 -0.181 1.00 0.00 H new ATOM 0 HA THR A 14 57.116 -9.033 0.037 1.00 0.00 H new ATOM 0 HB THR A 14 55.678 -11.012 -0.351 1.00 0.00 H new ATOM 0 HG1 THR A 14 54.409 -9.821 0.867 1.00 0.00 H new ATOM 0 HG21 THR A 14 55.514 -12.753 1.400 1.00 0.00 H new ATOM 0 HG22 THR A 14 57.147 -12.705 0.693 1.00 0.00 H new ATOM 0 HG23 THR A 14 56.848 -11.983 2.292 1.00 0.00 H new ATOM 237 N LEU A 15 57.726 -8.535 2.408 1.00 0.00 N ATOM 238 CA LEU A 15 58.246 -8.157 3.722 1.00 0.00 C ATOM 239 C LEU A 15 57.092 -7.976 4.686 1.00 0.00 C ATOM 240 O LEU A 15 56.016 -7.526 4.292 1.00 0.00 O ATOM 241 CB LEU A 15 59.060 -6.848 3.624 1.00 0.00 C ATOM 242 CG LEU A 15 59.080 -6.349 2.172 1.00 0.00 C ATOM 243 CD1 LEU A 15 59.713 -4.958 2.104 1.00 0.00 C ATOM 244 CD2 LEU A 15 59.879 -7.325 1.294 1.00 0.00 C ATOM 0 H LEU A 15 57.168 -7.813 1.952 1.00 0.00 H new ATOM 0 HA LEU A 15 58.904 -8.947 4.084 1.00 0.00 H new ATOM 0 HB2 LEU A 15 58.622 -6.089 4.272 1.00 0.00 H new ATOM 0 HB3 LEU A 15 60.079 -7.017 3.973 1.00 0.00 H new ATOM 0 HG LEU A 15 58.055 -6.292 1.805 1.00 0.00 H new ATOM 0 HD11 LEU A 15 59.723 -4.613 1.070 1.00 0.00 H new ATOM 0 HD12 LEU A 15 59.133 -4.264 2.713 1.00 0.00 H new ATOM 0 HD13 LEU A 15 60.735 -5.004 2.480 1.00 0.00 H new ATOM 0 HD21 LEU A 15 59.889 -6.965 0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 15 60.902 -7.394 1.664 1.00 0.00 H new ATOM 0 HD23 LEU A 15 59.414 -8.310 1.329 1.00 0.00 H new ATOM 256 N GLU A 16 57.311 -8.306 5.951 1.00 0.00 N ATOM 257 CA GLU A 16 56.254 -8.140 6.925 1.00 0.00 C ATOM 258 C GLU A 16 56.458 -6.803 7.595 1.00 0.00 C ATOM 259 O GLU A 16 57.416 -6.603 8.340 1.00 0.00 O ATOM 260 CB GLU A 16 56.312 -9.259 7.970 1.00 0.00 C ATOM 261 CG GLU A 16 55.037 -9.242 8.828 1.00 0.00 C ATOM 262 CD GLU A 16 54.166 -10.454 8.509 1.00 0.00 C ATOM 263 OE1 GLU A 16 53.645 -10.511 7.407 1.00 0.00 O ATOM 264 OE2 GLU A 16 54.034 -11.306 9.371 1.00 0.00 O ATOM 0 H GLU A 16 58.187 -8.680 6.315 1.00 0.00 H new ATOM 0 HA GLU A 16 55.280 -8.184 6.437 1.00 0.00 H new ATOM 0 HB2 GLU A 16 56.415 -10.225 7.475 1.00 0.00 H new ATOM 0 HB3 GLU A 16 57.189 -9.131 8.604 1.00 0.00 H new ATOM 0 HG2 GLU A 16 55.302 -9.245 9.885 1.00 0.00 H new ATOM 0 HG3 GLU A 16 54.478 -8.325 8.642 1.00 0.00 H new ATOM 271 N VAL A 17 55.566 -5.879 7.286 1.00 0.00 N ATOM 272 CA VAL A 17 55.670 -4.538 7.820 1.00 0.00 C ATOM 273 C VAL A 17 54.313 -3.892 7.978 1.00 0.00 C ATOM 274 O VAL A 17 53.339 -4.291 7.341 1.00 0.00 O ATOM 275 CB VAL A 17 56.486 -3.693 6.845 1.00 0.00 C ATOM 276 CG1 VAL A 17 55.763 -3.651 5.495 1.00 0.00 C ATOM 277 CG2 VAL A 17 56.631 -2.266 7.375 1.00 0.00 C ATOM 0 H VAL A 17 54.767 -6.034 6.671 1.00 0.00 H new ATOM 0 HA VAL A 17 56.143 -4.597 8.800 1.00 0.00 H new ATOM 0 HB VAL A 17 57.476 -4.135 6.732 1.00 0.00 H new ATOM 0 HG11 VAL A 17 56.339 -3.049 4.792 1.00 0.00 H new ATOM 0 HG12 VAL A 17 55.660 -4.664 5.106 1.00 0.00 H new ATOM 0 HG13 VAL A 17 54.775 -3.210 5.625 1.00 0.00 H new ATOM 0 HG21 VAL A 17 57.215 -1.674 6.670 1.00 0.00 H new ATOM 0 HG22 VAL A 17 55.644 -1.820 7.493 1.00 0.00 H new ATOM 0 HG23 VAL A 17 57.138 -2.286 8.340 1.00 0.00 H new ATOM 287 N GLU A 18 54.281 -2.829 8.772 1.00 0.00 N ATOM 288 CA GLU A 18 53.069 -2.055 8.941 1.00 0.00 C ATOM 289 C GLU A 18 53.035 -1.069 7.778 1.00 0.00 C ATOM 290 O GLU A 18 53.958 -1.052 6.973 1.00 0.00 O ATOM 291 CB GLU A 18 53.083 -1.308 10.285 1.00 0.00 C ATOM 292 CG GLU A 18 53.930 -2.084 11.302 1.00 0.00 C ATOM 293 CD GLU A 18 55.415 -1.826 11.061 1.00 0.00 C ATOM 294 OE1 GLU A 18 55.725 -0.921 10.303 1.00 0.00 O ATOM 295 OE2 GLU A 18 56.221 -2.538 11.636 1.00 0.00 O ATOM 0 H GLU A 18 55.081 -2.488 9.305 1.00 0.00 H new ATOM 0 HA GLU A 18 52.187 -2.695 8.947 1.00 0.00 H new ATOM 0 HB2 GLU A 18 53.489 -0.305 10.150 1.00 0.00 H new ATOM 0 HB3 GLU A 18 52.065 -1.193 10.658 1.00 0.00 H new ATOM 0 HG2 GLU A 18 53.661 -1.783 12.315 1.00 0.00 H new ATOM 0 HG3 GLU A 18 53.721 -3.151 11.221 1.00 0.00 H new ATOM 302 N PRO A 19 52.034 -0.263 7.639 1.00 0.00 N ATOM 303 CA PRO A 19 51.966 0.693 6.531 1.00 0.00 C ATOM 304 C PRO A 19 52.919 1.846 6.727 1.00 0.00 C ATOM 305 O PRO A 19 53.061 2.673 5.828 1.00 0.00 O ATOM 306 CB PRO A 19 50.517 1.161 6.485 1.00 0.00 C ATOM 307 CG PRO A 19 49.809 0.424 7.572 1.00 0.00 C ATOM 308 CD PRO A 19 50.872 -0.136 8.496 1.00 0.00 C ATOM 0 HA PRO A 19 52.266 0.232 5.590 1.00 0.00 H new ATOM 0 HB2 PRO A 19 50.450 2.238 6.637 1.00 0.00 H new ATOM 0 HB3 PRO A 19 50.069 0.948 5.514 1.00 0.00 H new ATOM 0 HG2 PRO A 19 49.138 1.090 8.115 1.00 0.00 H new ATOM 0 HG3 PRO A 19 49.197 -0.377 7.159 1.00 0.00 H new ATOM 0 HD2 PRO A 19 51.064 0.531 9.337 1.00 0.00 H new ATOM 0 HD3 PRO A 19 50.574 -1.098 8.914 1.00 0.00 H new ATOM 316 N SER A 20 53.580 1.943 7.890 1.00 0.00 N ATOM 317 CA SER A 20 54.475 3.066 8.027 1.00 0.00 C ATOM 318 C SER A 20 55.760 2.724 7.312 1.00 0.00 C ATOM 319 O SER A 20 56.378 3.594 6.705 1.00 0.00 O ATOM 320 CB SER A 20 54.765 3.352 9.499 1.00 0.00 C ATOM 321 OG SER A 20 55.922 4.173 9.598 1.00 0.00 O ATOM 0 H SER A 20 53.514 1.306 8.684 1.00 0.00 H new ATOM 0 HA SER A 20 54.017 3.957 7.597 1.00 0.00 H new ATOM 0 HB2 SER A 20 53.911 3.849 9.960 1.00 0.00 H new ATOM 0 HB3 SER A 20 54.920 2.418 10.039 1.00 0.00 H new ATOM 0 HG SER A 20 56.111 4.360 10.541 1.00 0.00 H new ATOM 327 N ASP A 21 56.068 1.429 7.221 1.00 0.00 N ATOM 328 CA ASP A 21 57.165 1.017 6.371 1.00 0.00 C ATOM 329 C ASP A 21 58.267 2.044 6.336 1.00 0.00 C ATOM 330 O ASP A 21 58.401 2.702 5.309 1.00 0.00 O ATOM 331 CB ASP A 21 56.720 0.660 4.963 1.00 0.00 C ATOM 332 CG ASP A 21 55.232 0.338 4.938 1.00 0.00 C ATOM 333 OD1 ASP A 21 54.446 1.261 4.920 1.00 0.00 O ATOM 334 OD2 ASP A 21 54.902 -0.835 4.927 1.00 0.00 O ATOM 0 H ASP A 21 55.586 0.676 7.711 1.00 0.00 H new ATOM 0 HA ASP A 21 57.562 0.108 6.822 1.00 0.00 H new ATOM 0 HB2 ASP A 21 56.930 1.490 4.288 1.00 0.00 H new ATOM 0 HB3 ASP A 21 57.289 -0.196 4.602 1.00 0.00 H new ATOM 339 N THR A 22 59.024 2.298 7.376 1.00 0.00 N ATOM 340 CA THR A 22 59.965 3.376 7.181 1.00 0.00 C ATOM 341 C THR A 22 61.106 2.772 6.411 1.00 0.00 C ATOM 342 O THR A 22 61.540 1.652 6.648 1.00 0.00 O ATOM 343 CB THR A 22 60.447 3.922 8.537 1.00 0.00 C ATOM 344 OG1 THR A 22 59.914 3.122 9.582 1.00 0.00 O ATOM 345 CG2 THR A 22 59.972 5.366 8.712 1.00 0.00 C ATOM 0 H THR A 22 59.018 1.828 8.281 1.00 0.00 H new ATOM 0 HA THR A 22 59.520 4.216 6.648 1.00 0.00 H new ATOM 0 HB THR A 22 61.536 3.894 8.570 1.00 0.00 H new ATOM 0 HG1 THR A 22 60.221 3.466 10.447 1.00 0.00 H new ATOM 0 HG21 THR A 22 60.316 5.748 9.673 1.00 0.00 H new ATOM 0 HG22 THR A 22 60.378 5.982 7.910 1.00 0.00 H new ATOM 0 HG23 THR A 22 58.883 5.398 8.677 1.00 0.00 H new ATOM 353 N ILE A 23 61.477 3.509 5.381 1.00 0.00 N ATOM 354 CA ILE A 23 62.450 3.049 4.419 1.00 0.00 C ATOM 355 C ILE A 23 63.744 2.651 5.086 1.00 0.00 C ATOM 356 O ILE A 23 64.322 1.621 4.743 1.00 0.00 O ATOM 357 CB ILE A 23 62.601 4.119 3.326 1.00 0.00 C ATOM 358 CG1 ILE A 23 61.251 4.879 3.259 1.00 0.00 C ATOM 359 CG2 ILE A 23 62.916 3.457 1.972 1.00 0.00 C ATOM 360 CD1 ILE A 23 61.182 5.827 2.055 1.00 0.00 C ATOM 0 H ILE A 23 61.111 4.442 5.191 1.00 0.00 H new ATOM 0 HA ILE A 23 62.107 2.134 3.935 1.00 0.00 H new ATOM 0 HB ILE A 23 63.421 4.801 3.553 1.00 0.00 H new ATOM 0 HG12 ILE A 23 60.433 4.160 3.201 1.00 0.00 H new ATOM 0 HG13 ILE A 23 61.110 5.449 4.177 1.00 0.00 H new ATOM 0 HG21 ILE A 23 63.020 4.226 1.207 1.00 0.00 H new ATOM 0 HG22 ILE A 23 63.846 2.894 2.050 1.00 0.00 H new ATOM 0 HG23 ILE A 23 62.105 2.782 1.700 1.00 0.00 H new ATOM 0 HD11 ILE A 23 60.219 6.338 2.049 1.00 0.00 H new ATOM 0 HD12 ILE A 23 61.983 6.563 2.125 1.00 0.00 H new ATOM 0 HD13 ILE A 23 61.295 5.255 1.134 1.00 0.00 H new ATOM 372 N GLU A 24 64.170 3.371 6.103 1.00 0.00 N ATOM 373 CA GLU A 24 65.347 2.913 6.796 1.00 0.00 C ATOM 374 C GLU A 24 64.998 1.517 7.311 1.00 0.00 C ATOM 375 O GLU A 24 65.847 0.631 7.408 1.00 0.00 O ATOM 376 CB GLU A 24 65.713 3.843 7.955 1.00 0.00 C ATOM 377 CG GLU A 24 64.477 4.113 8.813 1.00 0.00 C ATOM 378 CD GLU A 24 64.876 4.902 10.055 1.00 0.00 C ATOM 379 OE1 GLU A 24 65.623 4.367 10.859 1.00 0.00 O ATOM 380 OE2 GLU A 24 64.431 6.029 10.183 1.00 0.00 O ATOM 0 H GLU A 24 63.744 4.230 6.452 1.00 0.00 H new ATOM 0 HA GLU A 24 66.214 2.900 6.136 1.00 0.00 H new ATOM 0 HB2 GLU A 24 66.497 3.391 8.563 1.00 0.00 H new ATOM 0 HB3 GLU A 24 66.111 4.781 7.569 1.00 0.00 H new ATOM 0 HG2 GLU A 24 63.738 4.671 8.238 1.00 0.00 H new ATOM 0 HG3 GLU A 24 64.011 3.171 9.103 1.00 0.00 H new ATOM 387 N ASN A 25 63.700 1.349 7.609 1.00 0.00 N ATOM 388 CA ASN A 25 63.158 0.076 8.084 1.00 0.00 C ATOM 389 C ASN A 25 62.943 -0.921 6.939 1.00 0.00 C ATOM 390 O ASN A 25 63.268 -2.100 7.070 1.00 0.00 O ATOM 391 CB ASN A 25 61.829 0.314 8.812 1.00 0.00 C ATOM 392 CG ASN A 25 61.589 -0.797 9.834 1.00 0.00 C ATOM 393 OD1 ASN A 25 61.421 -1.957 9.460 1.00 0.00 O ATOM 394 ND2 ASN A 25 61.563 -0.510 11.107 1.00 0.00 N ATOM 0 H ASN A 25 63.004 2.090 7.527 1.00 0.00 H new ATOM 0 HA ASN A 25 63.888 -0.355 8.769 1.00 0.00 H new ATOM 0 HB2 ASN A 25 61.847 1.282 9.312 1.00 0.00 H new ATOM 0 HB3 ASN A 25 61.010 0.342 8.093 1.00 0.00 H new ATOM 0 HD21 ASN A 25 61.403 -1.248 11.793 1.00 0.00 H new ATOM 0 HD22 ASN A 25 61.702 0.452 11.416 1.00 0.00 H new ATOM 401 N VAL A 26 62.371 -0.451 5.826 1.00 0.00 N ATOM 402 CA VAL A 26 62.100 -1.336 4.692 1.00 0.00 C ATOM 403 C VAL A 26 63.381 -1.724 3.970 1.00 0.00 C ATOM 404 O VAL A 26 63.619 -2.901 3.707 1.00 0.00 O ATOM 405 CB VAL A 26 61.154 -0.663 3.695 1.00 0.00 C ATOM 406 CG1 VAL A 26 60.679 -1.694 2.670 1.00 0.00 C ATOM 407 CG2 VAL A 26 59.944 -0.091 4.433 1.00 0.00 C ATOM 0 H VAL A 26 62.091 0.520 5.688 1.00 0.00 H new ATOM 0 HA VAL A 26 61.633 -2.236 5.093 1.00 0.00 H new ATOM 0 HB VAL A 26 61.682 0.144 3.188 1.00 0.00 H new ATOM 0 HG11 VAL A 26 60.005 -1.216 1.959 1.00 0.00 H new ATOM 0 HG12 VAL A 26 61.539 -2.101 2.138 1.00 0.00 H new ATOM 0 HG13 VAL A 26 60.154 -2.501 3.182 1.00 0.00 H new ATOM 0 HG21 VAL A 26 59.274 0.387 3.718 1.00 0.00 H new ATOM 0 HG22 VAL A 26 59.415 -0.896 4.944 1.00 0.00 H new ATOM 0 HG23 VAL A 26 60.278 0.645 5.165 1.00 0.00 H new ATOM 417 N LYS A 27 64.208 -0.738 3.650 1.00 0.00 N ATOM 418 CA LYS A 27 65.452 -1.021 2.951 1.00 0.00 C ATOM 419 C LYS A 27 66.252 -2.039 3.732 1.00 0.00 C ATOM 420 O LYS A 27 66.909 -2.906 3.154 1.00 0.00 O ATOM 421 CB LYS A 27 66.270 0.255 2.780 1.00 0.00 C ATOM 422 CG LYS A 27 65.384 1.375 2.225 1.00 0.00 C ATOM 423 CD LYS A 27 64.957 1.057 0.793 1.00 0.00 C ATOM 424 CE LYS A 27 66.093 1.374 -0.161 1.00 0.00 C ATOM 425 NZ LYS A 27 66.198 2.853 -0.322 1.00 0.00 N ATOM 0 H LYS A 27 64.044 0.247 3.859 1.00 0.00 H new ATOM 0 HA LYS A 27 65.218 -1.420 1.964 1.00 0.00 H new ATOM 0 HB2 LYS A 27 66.694 0.556 3.738 1.00 0.00 H new ATOM 0 HB3 LYS A 27 67.106 0.073 2.105 1.00 0.00 H new ATOM 0 HG2 LYS A 27 64.503 1.496 2.855 1.00 0.00 H new ATOM 0 HG3 LYS A 27 65.925 2.321 2.248 1.00 0.00 H new ATOM 0 HD2 LYS A 27 64.682 0.005 0.710 1.00 0.00 H new ATOM 0 HD3 LYS A 27 64.074 1.639 0.529 1.00 0.00 H new ATOM 0 HE2 LYS A 27 67.030 0.970 0.223 1.00 0.00 H new ATOM 0 HE3 LYS A 27 65.915 0.902 -1.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 66.965 3.076 -0.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 65.300 3.227 -0.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 66.403 3.289 0.600 1.00 0.00 H new ATOM 439 N ALA A 28 66.170 -1.953 5.046 1.00 0.00 N ATOM 440 CA ALA A 28 66.866 -2.901 5.886 1.00 0.00 C ATOM 441 C ALA A 28 66.214 -4.268 5.724 1.00 0.00 C ATOM 442 O ALA A 28 66.895 -5.294 5.706 1.00 0.00 O ATOM 443 CB ALA A 28 66.819 -2.449 7.341 1.00 0.00 C ATOM 0 H ALA A 28 65.634 -1.244 5.548 1.00 0.00 H new ATOM 0 HA ALA A 28 67.913 -2.962 5.589 1.00 0.00 H new ATOM 0 HB1 ALA A 28 67.347 -3.171 7.964 1.00 0.00 H new ATOM 0 HB2 ALA A 28 67.295 -1.473 7.434 1.00 0.00 H new ATOM 0 HB3 ALA A 28 65.781 -2.379 7.667 1.00 0.00 H new ATOM 449 N LYS A 29 64.886 -4.273 5.558 1.00 0.00 N ATOM 450 CA LYS A 29 64.169 -5.524 5.343 1.00 0.00 C ATOM 451 C LYS A 29 64.612 -6.092 4.001 1.00 0.00 C ATOM 452 O LYS A 29 64.774 -7.303 3.850 1.00 0.00 O ATOM 453 CB LYS A 29 62.641 -5.318 5.361 1.00 0.00 C ATOM 454 CG LYS A 29 62.137 -5.288 6.808 1.00 0.00 C ATOM 455 CD LYS A 29 60.622 -5.504 6.825 1.00 0.00 C ATOM 456 CE LYS A 29 60.124 -5.604 8.272 1.00 0.00 C ATOM 457 NZ LYS A 29 59.968 -7.040 8.646 1.00 0.00 N ATOM 0 H LYS A 29 64.300 -3.438 5.569 1.00 0.00 H new ATOM 0 HA LYS A 29 64.402 -6.217 6.151 1.00 0.00 H new ATOM 0 HB2 LYS A 29 62.385 -4.386 4.858 1.00 0.00 H new ATOM 0 HB3 LYS A 29 62.150 -6.122 4.812 1.00 0.00 H new ATOM 0 HG2 LYS A 29 62.632 -6.063 7.393 1.00 0.00 H new ATOM 0 HG3 LYS A 29 62.384 -4.333 7.271 1.00 0.00 H new ATOM 0 HD2 LYS A 29 60.123 -4.680 6.316 1.00 0.00 H new ATOM 0 HD3 LYS A 29 60.370 -6.414 6.281 1.00 0.00 H new ATOM 0 HE2 LYS A 29 60.829 -5.116 8.945 1.00 0.00 H new ATOM 0 HE3 LYS A 29 59.172 -5.084 8.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 60.463 -7.221 9.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 58.958 -7.262 8.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 60.375 -7.639 7.900 1.00 0.00 H new ATOM 471 N ILE A 30 64.837 -5.197 3.033 1.00 0.00 N ATOM 472 CA ILE A 30 65.299 -5.627 1.720 1.00 0.00 C ATOM 473 C ILE A 30 66.672 -6.273 1.873 1.00 0.00 C ATOM 474 O ILE A 30 66.954 -7.312 1.278 1.00 0.00 O ATOM 475 CB ILE A 30 65.387 -4.447 0.746 1.00 0.00 C ATOM 476 CG1 ILE A 30 64.026 -3.747 0.635 1.00 0.00 C ATOM 477 CG2 ILE A 30 65.801 -4.962 -0.634 1.00 0.00 C ATOM 478 CD1 ILE A 30 62.925 -4.771 0.345 1.00 0.00 C ATOM 0 H ILE A 30 64.708 -4.190 3.135 1.00 0.00 H new ATOM 0 HA ILE A 30 64.585 -6.342 1.312 1.00 0.00 H new ATOM 0 HB ILE A 30 66.124 -3.735 1.117 1.00 0.00 H new ATOM 0 HG12 ILE A 30 63.805 -3.217 1.562 1.00 0.00 H new ATOM 0 HG13 ILE A 30 64.057 -3.001 -0.159 1.00 0.00 H new ATOM 0 HG21 ILE A 30 65.865 -4.126 -1.330 1.00 0.00 H new ATOM 0 HG22 ILE A 30 66.773 -5.451 -0.564 1.00 0.00 H new ATOM 0 HG23 ILE A 30 65.061 -5.677 -0.993 1.00 0.00 H new ATOM 0 HD11 ILE A 30 61.965 -4.261 0.269 1.00 0.00 H new ATOM 0 HD12 ILE A 30 63.141 -5.281 -0.594 1.00 0.00 H new ATOM 0 HD13 ILE A 30 62.885 -5.501 1.153 1.00 0.00 H new ATOM 490 N GLN A 31 67.513 -5.655 2.696 1.00 0.00 N ATOM 491 CA GLN A 31 68.852 -6.175 2.955 1.00 0.00 C ATOM 492 C GLN A 31 68.783 -7.463 3.776 1.00 0.00 C ATOM 493 O GLN A 31 69.617 -8.356 3.623 1.00 0.00 O ATOM 494 CB GLN A 31 69.677 -5.135 3.718 1.00 0.00 C ATOM 495 CG GLN A 31 71.058 -5.711 4.047 1.00 0.00 C ATOM 496 CD GLN A 31 71.951 -4.620 4.630 1.00 0.00 C ATOM 497 OE1 GLN A 31 71.522 -3.868 5.505 1.00 0.00 O ATOM 498 NE2 GLN A 31 73.175 -4.488 4.196 1.00 0.00 N ATOM 0 H GLN A 31 67.292 -4.794 3.195 1.00 0.00 H new ATOM 0 HA GLN A 31 69.325 -6.391 1.997 1.00 0.00 H new ATOM 0 HB2 GLN A 31 69.783 -4.230 3.119 1.00 0.00 H new ATOM 0 HB3 GLN A 31 69.163 -4.851 4.636 1.00 0.00 H new ATOM 0 HG2 GLN A 31 70.959 -6.531 4.758 1.00 0.00 H new ATOM 0 HG3 GLN A 31 71.514 -6.123 3.147 1.00 0.00 H new ATOM 0 HE21 GLN A 31 73.529 -5.112 3.471 1.00 0.00 H new ATOM 0 HE22 GLN A 31 73.777 -3.761 4.582 1.00 0.00 H new ATOM 507 N ASP A 32 67.801 -7.535 4.670 1.00 0.00 N ATOM 508 CA ASP A 32 67.646 -8.700 5.541 1.00 0.00 C ATOM 509 C ASP A 32 67.433 -9.988 4.747 1.00 0.00 C ATOM 510 O ASP A 32 68.048 -11.013 5.046 1.00 0.00 O ATOM 511 CB ASP A 32 66.456 -8.486 6.476 1.00 0.00 C ATOM 512 CG ASP A 32 66.231 -9.731 7.327 1.00 0.00 C ATOM 513 OD1 ASP A 32 65.585 -10.647 6.844 1.00 0.00 O ATOM 514 OD2 ASP A 32 66.706 -9.750 8.451 1.00 0.00 O ATOM 0 H ASP A 32 67.103 -6.805 4.811 1.00 0.00 H new ATOM 0 HA ASP A 32 68.568 -8.806 6.113 1.00 0.00 H new ATOM 0 HB2 ASP A 32 66.638 -7.624 7.118 1.00 0.00 H new ATOM 0 HB3 ASP A 32 65.561 -8.266 5.894 1.00 0.00 H new ATOM 519 N LYS A 33 66.562 -9.942 3.744 1.00 0.00 N ATOM 520 CA LYS A 33 66.291 -11.128 2.936 1.00 0.00 C ATOM 521 C LYS A 33 67.526 -11.502 2.124 1.00 0.00 C ATOM 522 O LYS A 33 68.008 -12.633 2.183 1.00 0.00 O ATOM 523 CB LYS A 33 65.106 -10.868 2.001 1.00 0.00 C ATOM 524 CG LYS A 33 63.853 -10.546 2.828 1.00 0.00 C ATOM 525 CD LYS A 33 63.146 -11.844 3.237 1.00 0.00 C ATOM 526 CE LYS A 33 62.112 -11.544 4.326 1.00 0.00 C ATOM 527 NZ LYS A 33 61.058 -10.643 3.780 1.00 0.00 N ATOM 0 H LYS A 33 66.038 -9.110 3.473 1.00 0.00 H new ATOM 0 HA LYS A 33 66.041 -11.956 3.599 1.00 0.00 H new ATOM 0 HB2 LYS A 33 65.334 -10.039 1.331 1.00 0.00 H new ATOM 0 HB3 LYS A 33 64.926 -11.742 1.376 1.00 0.00 H new ATOM 0 HG2 LYS A 33 64.130 -9.978 3.716 1.00 0.00 H new ATOM 0 HG3 LYS A 33 63.175 -9.920 2.247 1.00 0.00 H new ATOM 0 HD2 LYS A 33 62.658 -12.293 2.372 1.00 0.00 H new ATOM 0 HD3 LYS A 33 63.875 -12.567 3.603 1.00 0.00 H new ATOM 0 HE2 LYS A 33 61.663 -12.472 4.681 1.00 0.00 H new ATOM 0 HE3 LYS A 33 62.597 -11.076 5.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 60.330 -10.481 4.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 61.485 -9.734 3.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 60.623 -11.084 2.945 1.00 0.00 H new ATOM 541 N GLU A 34 68.043 -10.527 1.390 1.00 0.00 N ATOM 542 CA GLU A 34 69.244 -10.719 0.580 1.00 0.00 C ATOM 543 C GLU A 34 70.217 -9.601 0.909 1.00 0.00 C ATOM 544 O GLU A 34 69.794 -8.527 1.337 1.00 0.00 O ATOM 545 CB GLU A 34 68.886 -10.687 -0.911 1.00 0.00 C ATOM 546 CG GLU A 34 70.163 -10.728 -1.754 1.00 0.00 C ATOM 547 CD GLU A 34 69.807 -10.807 -3.236 1.00 0.00 C ATOM 548 OE1 GLU A 34 68.637 -10.988 -3.535 1.00 0.00 O ATOM 549 OE2 GLU A 34 70.708 -10.686 -4.050 1.00 0.00 O ATOM 0 H GLU A 34 67.648 -9.588 1.337 1.00 0.00 H new ATOM 0 HA GLU A 34 69.695 -11.687 0.799 1.00 0.00 H new ATOM 0 HB2 GLU A 34 68.249 -11.536 -1.159 1.00 0.00 H new ATOM 0 HB3 GLU A 34 68.318 -9.785 -1.138 1.00 0.00 H new ATOM 0 HG2 GLU A 34 70.764 -9.839 -1.563 1.00 0.00 H new ATOM 0 HG3 GLU A 34 70.768 -11.589 -1.470 1.00 0.00 H new ATOM 556 N GLY A 35 71.515 -9.826 0.733 1.00 0.00 N ATOM 557 CA GLY A 35 72.461 -8.771 1.060 1.00 0.00 C ATOM 558 C GLY A 35 72.468 -7.723 -0.021 1.00 0.00 C ATOM 559 O GLY A 35 72.895 -7.954 -1.151 1.00 0.00 O ATOM 0 H GLY A 35 71.922 -10.692 0.381 1.00 0.00 H new ATOM 0 HA2 GLY A 35 72.195 -8.317 2.014 1.00 0.00 H new ATOM 0 HA3 GLY A 35 73.460 -9.192 1.175 1.00 0.00 H new ATOM 563 N ILE A 36 72.014 -6.558 0.373 1.00 0.00 N ATOM 564 CA ILE A 36 71.971 -5.412 -0.494 1.00 0.00 C ATOM 565 C ILE A 36 72.085 -4.198 0.412 1.00 0.00 C ATOM 566 O ILE A 36 71.248 -4.014 1.296 1.00 0.00 O ATOM 567 CB ILE A 36 70.645 -5.418 -1.293 1.00 0.00 C ATOM 568 CG1 ILE A 36 70.911 -5.055 -2.762 1.00 0.00 C ATOM 569 CG2 ILE A 36 69.635 -4.427 -0.700 1.00 0.00 C ATOM 570 CD1 ILE A 36 71.365 -3.595 -2.875 1.00 0.00 C ATOM 0 H ILE A 36 71.661 -6.380 1.313 1.00 0.00 H new ATOM 0 HA ILE A 36 72.777 -5.410 -1.227 1.00 0.00 H new ATOM 0 HB ILE A 36 70.224 -6.422 -1.232 1.00 0.00 H new ATOM 0 HG12 ILE A 36 71.676 -5.714 -3.174 1.00 0.00 H new ATOM 0 HG13 ILE A 36 70.007 -5.209 -3.351 1.00 0.00 H new ATOM 0 HG21 ILE A 36 68.714 -4.454 -1.282 1.00 0.00 H new ATOM 0 HG22 ILE A 36 69.419 -4.701 0.333 1.00 0.00 H new ATOM 0 HG23 ILE A 36 70.053 -3.421 -0.728 1.00 0.00 H new ATOM 0 HD11 ILE A 36 71.550 -3.351 -3.921 1.00 0.00 H new ATOM 0 HD12 ILE A 36 70.587 -2.941 -2.482 1.00 0.00 H new ATOM 0 HD13 ILE A 36 72.281 -3.454 -2.302 1.00 0.00 H new ATOM 582 N PRO A 37 73.073 -3.376 0.254 1.00 0.00 N ATOM 583 CA PRO A 37 73.201 -2.203 1.137 1.00 0.00 C ATOM 584 C PRO A 37 72.097 -1.175 0.849 1.00 0.00 C ATOM 585 O PRO A 37 71.852 -0.832 -0.307 1.00 0.00 O ATOM 586 CB PRO A 37 74.604 -1.658 0.852 1.00 0.00 C ATOM 587 CG PRO A 37 75.237 -2.540 -0.186 1.00 0.00 C ATOM 588 CD PRO A 37 74.153 -3.464 -0.737 1.00 0.00 C ATOM 0 HA PRO A 37 73.082 -2.452 2.192 1.00 0.00 H new ATOM 0 HB2 PRO A 37 74.549 -0.629 0.497 1.00 0.00 H new ATOM 0 HB3 PRO A 37 75.203 -1.649 1.763 1.00 0.00 H new ATOM 0 HG2 PRO A 37 75.669 -1.939 -0.986 1.00 0.00 H new ATOM 0 HG3 PRO A 37 76.049 -3.121 0.250 1.00 0.00 H new ATOM 0 HD2 PRO A 37 73.817 -3.142 -1.723 1.00 0.00 H new ATOM 0 HD3 PRO A 37 74.516 -4.486 -0.842 1.00 0.00 H new ATOM 596 N PRO A 38 71.413 -0.702 1.868 1.00 0.00 N ATOM 597 CA PRO A 38 70.297 0.273 1.697 1.00 0.00 C ATOM 598 C PRO A 38 70.694 1.458 0.814 1.00 0.00 C ATOM 599 O PRO A 38 69.904 1.924 -0.007 1.00 0.00 O ATOM 600 CB PRO A 38 69.957 0.748 3.117 1.00 0.00 C ATOM 601 CG PRO A 38 70.890 0.044 4.056 1.00 0.00 C ATOM 602 CD PRO A 38 71.626 -1.046 3.279 1.00 0.00 C ATOM 0 HA PRO A 38 69.447 -0.192 1.197 1.00 0.00 H new ATOM 0 HB2 PRO A 38 70.072 1.829 3.199 1.00 0.00 H new ATOM 0 HB3 PRO A 38 68.920 0.518 3.361 1.00 0.00 H new ATOM 0 HG2 PRO A 38 71.601 0.750 4.484 1.00 0.00 H new ATOM 0 HG3 PRO A 38 70.335 -0.392 4.886 1.00 0.00 H new ATOM 0 HD2 PRO A 38 72.687 -1.062 3.527 1.00 0.00 H new ATOM 0 HD3 PRO A 38 71.229 -2.035 3.510 1.00 0.00 H new ATOM 610 N ASP A 39 71.917 1.945 0.999 1.00 0.00 N ATOM 611 CA ASP A 39 72.405 3.084 0.226 1.00 0.00 C ATOM 612 C ASP A 39 72.393 2.784 -1.270 1.00 0.00 C ATOM 613 O ASP A 39 72.245 3.690 -2.091 1.00 0.00 O ATOM 614 CB ASP A 39 73.829 3.434 0.661 1.00 0.00 C ATOM 615 CG ASP A 39 73.830 3.910 2.111 1.00 0.00 C ATOM 616 OD1 ASP A 39 72.755 4.080 2.659 1.00 0.00 O ATOM 617 OD2 ASP A 39 74.908 4.095 2.650 1.00 0.00 O ATOM 0 H ASP A 39 72.586 1.572 1.673 1.00 0.00 H new ATOM 0 HA ASP A 39 71.741 3.927 0.414 1.00 0.00 H new ATOM 0 HB2 ASP A 39 74.475 2.562 0.555 1.00 0.00 H new ATOM 0 HB3 ASP A 39 74.235 4.212 0.014 1.00 0.00 H new ATOM 622 N GLN A 40 72.554 1.513 -1.623 1.00 0.00 N ATOM 623 CA GLN A 40 72.564 1.114 -3.027 1.00 0.00 C ATOM 624 C GLN A 40 71.199 0.568 -3.437 1.00 0.00 C ATOM 625 O GLN A 40 71.037 0.037 -4.536 1.00 0.00 O ATOM 626 CB GLN A 40 73.643 0.043 -3.252 1.00 0.00 C ATOM 627 CG GLN A 40 74.438 0.354 -4.524 1.00 0.00 C ATOM 628 CD GLN A 40 75.271 1.613 -4.319 1.00 0.00 C ATOM 629 OE1 GLN A 40 76.308 1.571 -3.657 1.00 0.00 O ATOM 630 NE2 GLN A 40 74.875 2.738 -4.849 1.00 0.00 N ATOM 0 H GLN A 40 72.679 0.746 -0.962 1.00 0.00 H new ATOM 0 HA GLN A 40 72.787 1.988 -3.639 1.00 0.00 H new ATOM 0 HB2 GLN A 40 74.315 0.007 -2.394 1.00 0.00 H new ATOM 0 HB3 GLN A 40 73.179 -0.940 -3.335 1.00 0.00 H new ATOM 0 HG2 GLN A 40 75.087 -0.486 -4.772 1.00 0.00 H new ATOM 0 HG3 GLN A 40 73.758 0.490 -5.365 1.00 0.00 H new ATOM 0 HE21 GLN A 40 74.015 2.769 -5.397 1.00 0.00 H new ATOM 0 HE22 GLN A 40 75.425 3.586 -4.715 1.00 0.00 H new ATOM 639 N GLN A 41 70.221 0.695 -2.541 1.00 0.00 N ATOM 640 CA GLN A 41 68.874 0.202 -2.816 1.00 0.00 C ATOM 641 C GLN A 41 67.845 1.328 -2.723 1.00 0.00 C ATOM 642 O GLN A 41 67.806 2.060 -1.739 1.00 0.00 O ATOM 643 CB GLN A 41 68.518 -0.905 -1.822 1.00 0.00 C ATOM 644 CG GLN A 41 67.199 -1.568 -2.228 1.00 0.00 C ATOM 645 CD GLN A 41 67.420 -2.486 -3.425 1.00 0.00 C ATOM 646 OE1 GLN A 41 67.432 -3.779 -3.250 1.00 0.00 O flip ATOM 647 NE2 GLN A 41 67.584 -2.013 -4.550 1.00 0.00 N flip ATOM 0 H GLN A 41 70.335 1.131 -1.626 1.00 0.00 H new ATOM 0 HA GLN A 41 68.856 -0.194 -3.831 1.00 0.00 H new ATOM 0 HB2 GLN A 41 69.314 -1.649 -1.792 1.00 0.00 H new ATOM 0 HB3 GLN A 41 68.432 -0.490 -0.818 1.00 0.00 H new ATOM 0 HG2 GLN A 41 66.798 -2.139 -1.391 1.00 0.00 H new ATOM 0 HG3 GLN A 41 66.461 -0.805 -2.476 1.00 0.00 H new ATOM 0 HE21 GLN A 41 67.574 -1.002 -4.685 1.00 0.00 H new ATOM 0 HE22 GLN A 41 67.730 -2.632 -5.347 1.00 0.00 H new ATOM 656 N ARG A 42 67.013 1.450 -3.760 1.00 0.00 N ATOM 657 CA ARG A 42 65.963 2.471 -3.796 1.00 0.00 C ATOM 658 C ARG A 42 64.626 1.835 -4.192 1.00 0.00 C ATOM 659 O ARG A 42 64.593 0.939 -5.035 1.00 0.00 O ATOM 660 CB ARG A 42 66.334 3.577 -4.790 1.00 0.00 C ATOM 661 CG ARG A 42 65.478 4.824 -4.530 1.00 0.00 C ATOM 662 CD ARG A 42 66.134 5.691 -3.450 1.00 0.00 C ATOM 663 NE ARG A 42 67.430 6.179 -3.907 1.00 0.00 N ATOM 664 CZ ARG A 42 68.269 6.785 -3.073 1.00 0.00 C ATOM 665 NH1 ARG A 42 68.294 6.445 -1.813 1.00 0.00 N ATOM 666 NH2 ARG A 42 69.069 7.718 -3.513 1.00 0.00 N ATOM 0 H ARG A 42 67.046 0.854 -4.587 1.00 0.00 H new ATOM 0 HA ARG A 42 65.866 2.910 -2.803 1.00 0.00 H new ATOM 0 HB2 ARG A 42 67.391 3.825 -4.693 1.00 0.00 H new ATOM 0 HB3 ARG A 42 66.181 3.227 -5.811 1.00 0.00 H new ATOM 0 HG2 ARG A 42 65.366 5.397 -5.450 1.00 0.00 H new ATOM 0 HG3 ARG A 42 64.477 4.529 -4.214 1.00 0.00 H new ATOM 0 HD2 ARG A 42 65.486 6.533 -3.208 1.00 0.00 H new ATOM 0 HD3 ARG A 42 66.259 5.111 -2.535 1.00 0.00 H new ATOM 0 HE ARG A 42 67.697 6.053 -4.883 1.00 0.00 H new ATOM 0 HH11 ARG A 42 67.670 5.715 -1.469 1.00 0.00 H new ATOM 0 HH12 ARG A 42 68.937 6.909 -1.172 1.00 0.00 H new ATOM 0 HH21 ARG A 42 69.051 7.983 -4.498 1.00 0.00 H new ATOM 0 HH22 ARG A 42 69.712 8.182 -2.872 1.00 0.00 H new ATOM 680 N LEU A 43 63.525 2.295 -3.591 1.00 0.00 N ATOM 681 CA LEU A 43 62.201 1.745 -3.914 1.00 0.00 C ATOM 682 C LEU A 43 61.245 2.850 -4.363 1.00 0.00 C ATOM 683 O LEU A 43 61.317 3.980 -3.881 1.00 0.00 O ATOM 684 CB LEU A 43 61.601 1.037 -2.692 1.00 0.00 C ATOM 685 CG LEU A 43 62.590 0.008 -2.126 1.00 0.00 C ATOM 686 CD1 LEU A 43 62.198 -0.321 -0.681 1.00 0.00 C ATOM 687 CD2 LEU A 43 62.548 -1.278 -2.964 1.00 0.00 C ATOM 0 H LEU A 43 63.520 3.035 -2.889 1.00 0.00 H new ATOM 0 HA LEU A 43 62.331 1.030 -4.726 1.00 0.00 H new ATOM 0 HB2 LEU A 43 61.352 1.771 -1.925 1.00 0.00 H new ATOM 0 HB3 LEU A 43 60.672 0.541 -2.972 1.00 0.00 H new ATOM 0 HG LEU A 43 63.597 0.423 -2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 43 62.896 -1.051 -0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 43 62.230 0.588 -0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 43 61.189 -0.733 -0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 43 63.253 -2.002 -2.555 1.00 0.00 H new ATOM 0 HD22 LEU A 43 61.542 -1.696 -2.938 1.00 0.00 H new ATOM 0 HD23 LEU A 43 62.820 -1.050 -3.995 1.00 0.00 H new ATOM 699 N ILE A 44 60.343 2.509 -5.285 1.00 0.00 N ATOM 700 CA ILE A 44 59.365 3.472 -5.789 1.00 0.00 C ATOM 701 C ILE A 44 57.978 2.833 -5.870 1.00 0.00 C ATOM 702 O ILE A 44 57.850 1.652 -6.198 1.00 0.00 O ATOM 703 CB ILE A 44 59.794 3.986 -7.166 1.00 0.00 C ATOM 704 CG1 ILE A 44 59.624 2.882 -8.214 1.00 0.00 C ATOM 705 CG2 ILE A 44 61.263 4.411 -7.115 1.00 0.00 C ATOM 706 CD1 ILE A 44 60.260 3.332 -9.532 1.00 0.00 C ATOM 0 H ILE A 44 60.270 1.578 -5.696 1.00 0.00 H new ATOM 0 HA ILE A 44 59.317 4.314 -5.098 1.00 0.00 H new ATOM 0 HB ILE A 44 59.171 4.838 -7.438 1.00 0.00 H new ATOM 0 HG12 ILE A 44 60.092 1.961 -7.867 1.00 0.00 H new ATOM 0 HG13 ILE A 44 58.566 2.666 -8.363 1.00 0.00 H new ATOM 0 HG21 ILE A 44 61.570 4.777 -8.095 1.00 0.00 H new ATOM 0 HG22 ILE A 44 61.387 5.203 -6.376 1.00 0.00 H new ATOM 0 HG23 ILE A 44 61.880 3.556 -6.838 1.00 0.00 H new ATOM 0 HD11 ILE A 44 60.141 2.548 -10.280 1.00 0.00 H new ATOM 0 HD12 ILE A 44 59.772 4.242 -9.879 1.00 0.00 H new ATOM 0 HD13 ILE A 44 61.321 3.526 -9.376 1.00 0.00 H new ATOM 718 N PHE A 45 56.943 3.614 -5.552 1.00 0.00 N ATOM 719 CA PHE A 45 55.568 3.107 -5.574 1.00 0.00 C ATOM 720 C PHE A 45 54.671 3.960 -6.468 1.00 0.00 C ATOM 721 O PHE A 45 54.419 5.126 -6.180 1.00 0.00 O ATOM 722 CB PHE A 45 55.010 3.097 -4.142 1.00 0.00 C ATOM 723 CG PHE A 45 53.506 3.280 -4.159 1.00 0.00 C ATOM 724 CD1 PHE A 45 52.704 2.445 -4.947 1.00 0.00 C ATOM 725 CD2 PHE A 45 52.915 4.286 -3.383 1.00 0.00 C ATOM 726 CE1 PHE A 45 51.314 2.617 -4.962 1.00 0.00 C ATOM 727 CE2 PHE A 45 51.524 4.457 -3.397 1.00 0.00 C ATOM 728 CZ PHE A 45 50.725 3.623 -4.185 1.00 0.00 C ATOM 0 H PHE A 45 57.029 4.593 -5.278 1.00 0.00 H new ATOM 0 HA PHE A 45 55.582 2.096 -5.981 1.00 0.00 H new ATOM 0 HB2 PHE A 45 55.263 2.156 -3.653 1.00 0.00 H new ATOM 0 HB3 PHE A 45 55.473 3.893 -3.559 1.00 0.00 H new ATOM 0 HD1 PHE A 45 53.158 1.668 -5.544 1.00 0.00 H new ATOM 0 HD2 PHE A 45 53.532 4.930 -2.774 1.00 0.00 H new ATOM 0 HE1 PHE A 45 50.697 1.974 -5.572 1.00 0.00 H new ATOM 0 HE2 PHE A 45 51.069 5.233 -2.799 1.00 0.00 H new ATOM 0 HZ PHE A 45 49.653 3.754 -4.195 1.00 0.00 H new ATOM 738 N ALA A 46 54.166 3.356 -7.539 1.00 0.00 N ATOM 739 CA ALA A 46 53.268 4.057 -8.453 1.00 0.00 C ATOM 740 C ALA A 46 53.806 5.437 -8.813 1.00 0.00 C ATOM 741 O ALA A 46 53.053 6.410 -8.864 1.00 0.00 O ATOM 742 CB ALA A 46 51.887 4.203 -7.809 1.00 0.00 C ATOM 0 H ALA A 46 54.361 2.388 -7.795 1.00 0.00 H new ATOM 0 HA ALA A 46 53.194 3.469 -9.368 1.00 0.00 H new ATOM 0 HB1 ALA A 46 51.220 4.726 -8.494 1.00 0.00 H new ATOM 0 HB2 ALA A 46 51.481 3.215 -7.591 1.00 0.00 H new ATOM 0 HB3 ALA A 46 51.976 4.771 -6.883 1.00 0.00 H new ATOM 748 N GLY A 47 55.104 5.518 -9.071 1.00 0.00 N ATOM 749 CA GLY A 47 55.721 6.788 -9.438 1.00 0.00 C ATOM 750 C GLY A 47 56.217 7.544 -8.210 1.00 0.00 C ATOM 751 O GLY A 47 57.095 8.400 -8.319 1.00 0.00 O ATOM 0 H GLY A 47 55.747 4.727 -9.034 1.00 0.00 H new ATOM 0 HA2 GLY A 47 56.555 6.606 -10.116 1.00 0.00 H new ATOM 0 HA3 GLY A 47 55.000 7.402 -9.978 1.00 0.00 H new ATOM 755 N LYS A 48 55.674 7.222 -7.039 1.00 0.00 N ATOM 756 CA LYS A 48 56.108 7.888 -5.816 1.00 0.00 C ATOM 757 C LYS A 48 57.403 7.246 -5.332 1.00 0.00 C ATOM 758 O LYS A 48 57.429 6.067 -4.983 1.00 0.00 O ATOM 759 CB LYS A 48 55.023 7.789 -4.730 1.00 0.00 C ATOM 760 CG LYS A 48 54.117 9.029 -4.783 1.00 0.00 C ATOM 761 CD LYS A 48 52.739 8.697 -4.195 1.00 0.00 C ATOM 762 CE LYS A 48 51.874 7.995 -5.248 1.00 0.00 C ATOM 763 NZ LYS A 48 50.455 7.985 -4.793 1.00 0.00 N ATOM 0 H LYS A 48 54.947 6.518 -6.912 1.00 0.00 H new ATOM 0 HA LYS A 48 56.280 8.944 -6.023 1.00 0.00 H new ATOM 0 HB2 LYS A 48 54.429 6.887 -4.878 1.00 0.00 H new ATOM 0 HB3 LYS A 48 55.486 7.708 -3.747 1.00 0.00 H new ATOM 0 HG2 LYS A 48 54.573 9.847 -4.224 1.00 0.00 H new ATOM 0 HG3 LYS A 48 54.010 9.368 -5.813 1.00 0.00 H new ATOM 0 HD2 LYS A 48 52.853 8.057 -3.320 1.00 0.00 H new ATOM 0 HD3 LYS A 48 52.248 9.611 -3.860 1.00 0.00 H new ATOM 0 HE2 LYS A 48 51.957 8.509 -6.205 1.00 0.00 H new ATOM 0 HE3 LYS A 48 52.225 6.975 -5.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 49.865 7.509 -5.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 50.384 7.476 -3.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 50.124 8.963 -4.667 1.00 0.00 H new ATOM 777 N GLN A 49 58.478 8.023 -5.337 1.00 0.00 N ATOM 778 CA GLN A 49 59.779 7.514 -4.922 1.00 0.00 C ATOM 779 C GLN A 49 59.901 7.466 -3.403 1.00 0.00 C ATOM 780 O GLN A 49 59.779 8.488 -2.727 1.00 0.00 O ATOM 781 CB GLN A 49 60.889 8.397 -5.505 1.00 0.00 C ATOM 782 CG GLN A 49 62.211 8.124 -4.781 1.00 0.00 C ATOM 783 CD GLN A 49 63.373 8.687 -5.594 1.00 0.00 C ATOM 784 OE1 GLN A 49 63.230 9.718 -6.250 1.00 0.00 O ATOM 785 NE2 GLN A 49 64.523 8.068 -5.590 1.00 0.00 N ATOM 0 H GLN A 49 58.476 9.002 -5.622 1.00 0.00 H new ATOM 0 HA GLN A 49 59.880 6.496 -5.299 1.00 0.00 H new ATOM 0 HB2 GLN A 49 61.001 8.198 -6.571 1.00 0.00 H new ATOM 0 HB3 GLN A 49 60.620 9.448 -5.403 1.00 0.00 H new ATOM 0 HG2 GLN A 49 62.194 8.579 -3.791 1.00 0.00 H new ATOM 0 HG3 GLN A 49 62.342 7.052 -4.637 1.00 0.00 H new ATOM 0 HE21 GLN A 49 64.640 7.213 -5.046 1.00 0.00 H new ATOM 0 HE22 GLN A 49 65.304 8.439 -6.131 1.00 0.00 H new ATOM 794 N LEU A 50 60.173 6.275 -2.877 1.00 0.00 N ATOM 795 CA LEU A 50 60.345 6.108 -1.440 1.00 0.00 C ATOM 796 C LEU A 50 61.763 6.572 -1.070 1.00 0.00 C ATOM 797 O LEU A 50 62.733 6.250 -1.758 1.00 0.00 O ATOM 798 CB LEU A 50 60.069 4.641 -1.049 1.00 0.00 C ATOM 799 CG LEU A 50 58.574 4.316 -1.267 1.00 0.00 C ATOM 800 CD1 LEU A 50 58.277 2.916 -0.724 1.00 0.00 C ATOM 801 CD2 LEU A 50 57.685 5.339 -0.544 1.00 0.00 C ATOM 0 H LEU A 50 60.278 5.418 -3.421 1.00 0.00 H new ATOM 0 HA LEU A 50 59.634 6.715 -0.880 1.00 0.00 H new ATOM 0 HB2 LEU A 50 60.687 3.972 -1.648 1.00 0.00 H new ATOM 0 HB3 LEU A 50 60.339 4.476 -0.006 1.00 0.00 H new ATOM 0 HG LEU A 50 58.359 4.358 -2.335 1.00 0.00 H new ATOM 0 HD11 LEU A 50 57.223 2.683 -0.876 1.00 0.00 H new ATOM 0 HD12 LEU A 50 58.890 2.184 -1.250 1.00 0.00 H new ATOM 0 HD13 LEU A 50 58.506 2.883 0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 50 56.637 5.092 -0.710 1.00 0.00 H new ATOM 0 HD22 LEU A 50 57.898 5.315 0.525 1.00 0.00 H new ATOM 0 HD23 LEU A 50 57.889 6.337 -0.933 1.00 0.00 H new ATOM 813 N GLU A 51 61.848 7.422 -0.044 1.00 0.00 N ATOM 814 CA GLU A 51 63.119 8.053 0.356 1.00 0.00 C ATOM 815 C GLU A 51 63.903 7.358 1.486 1.00 0.00 C ATOM 816 O GLU A 51 63.631 6.240 1.909 1.00 0.00 O ATOM 817 CB GLU A 51 62.836 9.511 0.762 1.00 0.00 C ATOM 818 CG GLU A 51 63.127 10.445 -0.417 1.00 0.00 C ATOM 819 CD GLU A 51 62.600 11.844 -0.117 1.00 0.00 C ATOM 820 OE1 GLU A 51 62.216 12.081 1.017 1.00 0.00 O ATOM 821 OE2 GLU A 51 62.589 12.660 -1.026 1.00 0.00 O ATOM 0 H GLU A 51 61.050 7.694 0.531 1.00 0.00 H new ATOM 0 HA GLU A 51 63.766 7.971 -0.518 1.00 0.00 H new ATOM 0 HB2 GLU A 51 61.797 9.616 1.073 1.00 0.00 H new ATOM 0 HB3 GLU A 51 63.454 9.786 1.617 1.00 0.00 H new ATOM 0 HG2 GLU A 51 64.200 10.484 -0.604 1.00 0.00 H new ATOM 0 HG3 GLU A 51 62.659 10.058 -1.322 1.00 0.00 H new ATOM 828 N ASP A 52 64.905 8.108 1.928 1.00 0.00 N ATOM 829 CA ASP A 52 65.850 7.757 2.991 1.00 0.00 C ATOM 830 C ASP A 52 65.201 7.204 4.254 1.00 0.00 C ATOM 831 O ASP A 52 65.873 7.076 5.278 1.00 0.00 O ATOM 832 CB ASP A 52 66.675 8.982 3.367 1.00 0.00 C ATOM 833 CG ASP A 52 65.753 10.127 3.778 1.00 0.00 C ATOM 834 OD1 ASP A 52 65.272 10.820 2.897 1.00 0.00 O ATOM 835 OD2 ASP A 52 65.545 10.295 4.969 1.00 0.00 O ATOM 0 H ASP A 52 65.094 9.030 1.535 1.00 0.00 H new ATOM 0 HA ASP A 52 66.470 6.960 2.581 1.00 0.00 H new ATOM 0 HB2 ASP A 52 67.352 8.737 4.186 1.00 0.00 H new ATOM 0 HB3 ASP A 52 67.293 9.287 2.523 1.00 0.00 H new ATOM 840 N GLY A 53 63.906 6.948 4.230 1.00 0.00 N ATOM 841 CA GLY A 53 63.220 6.496 5.438 1.00 0.00 C ATOM 842 C GLY A 53 62.131 7.455 5.868 1.00 0.00 C ATOM 843 O GLY A 53 61.903 7.692 7.054 1.00 0.00 O ATOM 0 H GLY A 53 63.312 7.041 3.406 1.00 0.00 H new ATOM 0 HA2 GLY A 53 62.786 5.512 5.261 1.00 0.00 H new ATOM 0 HA3 GLY A 53 63.944 6.385 6.245 1.00 0.00 H new ATOM 847 N ARG A 54 61.368 7.884 4.865 1.00 0.00 N ATOM 848 CA ARG A 54 60.186 8.683 5.099 1.00 0.00 C ATOM 849 C ARG A 54 59.150 7.642 5.458 1.00 0.00 C ATOM 850 O ARG A 54 59.306 6.490 5.056 1.00 0.00 O ATOM 851 CB ARG A 54 59.757 9.419 3.816 1.00 0.00 C ATOM 852 CG ARG A 54 59.914 10.931 3.993 1.00 0.00 C ATOM 853 CD ARG A 54 59.426 11.635 2.724 1.00 0.00 C ATOM 854 NE ARG A 54 59.365 13.077 2.931 1.00 0.00 N ATOM 855 CZ ARG A 54 58.643 13.854 2.128 1.00 0.00 C ATOM 856 NH1 ARG A 54 57.344 13.731 2.097 1.00 0.00 N ATOM 857 NH2 ARG A 54 59.233 14.741 1.374 1.00 0.00 N ATOM 0 H ARG A 54 61.555 7.686 3.882 1.00 0.00 H new ATOM 0 HA ARG A 54 60.333 9.450 5.860 1.00 0.00 H new ATOM 0 HB2 ARG A 54 60.361 9.080 2.975 1.00 0.00 H new ATOM 0 HB3 ARG A 54 58.720 9.179 3.581 1.00 0.00 H new ATOM 0 HG2 ARG A 54 59.341 11.270 4.856 1.00 0.00 H new ATOM 0 HG3 ARG A 54 60.957 11.181 4.185 1.00 0.00 H new ATOM 0 HD2 ARG A 54 60.096 11.409 1.895 1.00 0.00 H new ATOM 0 HD3 ARG A 54 58.441 11.259 2.449 1.00 0.00 H new ATOM 0 HE ARG A 54 59.884 13.496 3.703 1.00 0.00 H new ATOM 0 HH11 ARG A 54 56.883 13.039 2.688 1.00 0.00 H new ATOM 0 HH12 ARG A 54 56.790 14.326 1.482 1.00 0.00 H new ATOM 0 HH21 ARG A 54 60.248 14.839 1.400 1.00 0.00 H new ATOM 0 HH22 ARG A 54 58.679 15.337 0.758 1.00 0.00 H new ATOM 871 N THR A 55 58.119 7.957 6.216 1.00 0.00 N ATOM 872 CA THR A 55 57.202 6.879 6.539 1.00 0.00 C ATOM 873 C THR A 55 56.278 6.600 5.362 1.00 0.00 C ATOM 874 O THR A 55 55.815 7.511 4.677 1.00 0.00 O ATOM 875 CB THR A 55 56.395 7.252 7.781 1.00 0.00 C ATOM 876 OG1 THR A 55 57.177 7.002 8.940 1.00 0.00 O ATOM 877 CG2 THR A 55 55.115 6.427 7.845 1.00 0.00 C ATOM 0 H THR A 55 57.902 8.878 6.597 1.00 0.00 H new ATOM 0 HA THR A 55 57.770 5.972 6.745 1.00 0.00 H new ATOM 0 HB THR A 55 56.132 8.309 7.732 1.00 0.00 H new ATOM 0 HG1 THR A 55 56.932 6.132 9.319 1.00 0.00 H new ATOM 0 HG21 THR A 55 54.549 6.702 8.735 1.00 0.00 H new ATOM 0 HG22 THR A 55 54.513 6.620 6.957 1.00 0.00 H new ATOM 0 HG23 THR A 55 55.367 5.367 7.889 1.00 0.00 H new ATOM 885 N LEU A 56 56.016 5.316 5.155 1.00 0.00 N ATOM 886 CA LEU A 56 55.143 4.862 4.083 1.00 0.00 C ATOM 887 C LEU A 56 53.672 5.074 4.410 1.00 0.00 C ATOM 888 O LEU A 56 52.853 5.294 3.519 1.00 0.00 O ATOM 889 CB LEU A 56 55.433 3.407 3.731 1.00 0.00 C ATOM 890 CG LEU A 56 56.424 3.358 2.542 1.00 0.00 C ATOM 891 CD1 LEU A 56 57.812 3.829 2.998 1.00 0.00 C ATOM 892 CD2 LEU A 56 56.532 1.931 1.974 1.00 0.00 C ATOM 0 H LEU A 56 56.402 4.563 5.724 1.00 0.00 H new ATOM 0 HA LEU A 56 55.358 5.474 3.207 1.00 0.00 H new ATOM 0 HB2 LEU A 56 55.854 2.889 4.593 1.00 0.00 H new ATOM 0 HB3 LEU A 56 54.508 2.892 3.471 1.00 0.00 H new ATOM 0 HG LEU A 56 56.048 4.019 1.761 1.00 0.00 H new ATOM 0 HD11 LEU A 56 58.504 3.792 2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 56 57.746 4.852 3.368 1.00 0.00 H new ATOM 0 HD13 LEU A 56 58.174 3.178 3.794 1.00 0.00 H new ATOM 0 HD21 LEU A 56 57.234 1.923 1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 56 56.886 1.255 2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 56 55.552 1.603 1.627 1.00 0.00 H new ATOM 904 N SER A 57 53.330 4.991 5.684 1.00 0.00 N ATOM 905 CA SER A 57 51.944 5.164 6.065 1.00 0.00 C ATOM 906 C SER A 57 51.479 6.494 5.535 1.00 0.00 C ATOM 907 O SER A 57 50.334 6.647 5.112 1.00 0.00 O ATOM 908 CB SER A 57 51.785 5.125 7.587 1.00 0.00 C ATOM 909 OG SER A 57 50.559 5.747 7.944 1.00 0.00 O ATOM 0 H SER A 57 53.976 4.810 6.453 1.00 0.00 H new ATOM 0 HA SER A 57 51.346 4.353 5.649 1.00 0.00 H new ATOM 0 HB2 SER A 57 51.800 4.094 7.940 1.00 0.00 H new ATOM 0 HB3 SER A 57 52.620 5.638 8.065 1.00 0.00 H new ATOM 0 HG SER A 57 50.452 5.723 8.918 1.00 0.00 H new ATOM 915 N ASP A 58 52.408 7.445 5.505 1.00 0.00 N ATOM 916 CA ASP A 58 52.123 8.758 4.959 1.00 0.00 C ATOM 917 C ASP A 58 51.994 8.633 3.445 1.00 0.00 C ATOM 918 O ASP A 58 51.313 9.425 2.794 1.00 0.00 O ATOM 919 CB ASP A 58 53.251 9.734 5.306 1.00 0.00 C ATOM 920 CG ASP A 58 52.798 11.167 5.049 1.00 0.00 C ATOM 921 OD1 ASP A 58 52.028 11.678 5.846 1.00 0.00 O ATOM 922 OD2 ASP A 58 53.228 11.733 4.057 1.00 0.00 O ATOM 0 H ASP A 58 53.360 7.327 5.852 1.00 0.00 H new ATOM 0 HA ASP A 58 51.196 9.141 5.385 1.00 0.00 H new ATOM 0 HB2 ASP A 58 53.536 9.616 6.351 1.00 0.00 H new ATOM 0 HB3 ASP A 58 54.134 9.510 4.707 1.00 0.00 H new ATOM 927 N TYR A 59 52.653 7.606 2.900 1.00 0.00 N ATOM 928 CA TYR A 59 52.613 7.340 1.466 1.00 0.00 C ATOM 929 C TYR A 59 51.317 6.621 1.116 1.00 0.00 C ATOM 930 O TYR A 59 51.080 6.272 -0.040 1.00 0.00 O ATOM 931 CB TYR A 59 53.807 6.473 1.055 1.00 0.00 C ATOM 932 CG TYR A 59 54.909 7.351 0.548 1.00 0.00 C ATOM 933 CD1 TYR A 59 54.768 7.976 -0.690 1.00 0.00 C ATOM 934 CD2 TYR A 59 56.062 7.547 1.311 1.00 0.00 C ATOM 935 CE1 TYR A 59 55.789 8.802 -1.175 1.00 0.00 C ATOM 936 CE2 TYR A 59 57.085 8.373 0.828 1.00 0.00 C ATOM 937 CZ TYR A 59 56.949 9.001 -0.417 1.00 0.00 C ATOM 938 OH TYR A 59 57.955 9.815 -0.896 1.00 0.00 O ATOM 0 H TYR A 59 53.220 6.947 3.434 1.00 0.00 H new ATOM 0 HA TYR A 59 52.662 8.288 0.929 1.00 0.00 H new ATOM 0 HB2 TYR A 59 54.156 5.888 1.906 1.00 0.00 H new ATOM 0 HB3 TYR A 59 53.507 5.765 0.283 1.00 0.00 H new ATOM 0 HD1 TYR A 59 53.873 7.823 -1.274 1.00 0.00 H new ATOM 0 HD2 TYR A 59 56.165 7.063 2.271 1.00 0.00 H new ATOM 0 HE1 TYR A 59 55.682 9.286 -2.135 1.00 0.00 H new ATOM 0 HE2 TYR A 59 57.978 8.526 1.415 1.00 0.00 H new ATOM 0 HH TYR A 59 58.529 9.303 -1.503 1.00 0.00 H new ATOM 948 N ASN A 60 50.484 6.397 2.128 1.00 0.00 N ATOM 949 CA ASN A 60 49.216 5.713 1.920 1.00 0.00 C ATOM 950 C ASN A 60 49.451 4.339 1.296 1.00 0.00 C ATOM 951 O ASN A 60 48.750 3.946 0.363 1.00 0.00 O ATOM 952 CB ASN A 60 48.316 6.556 1.004 1.00 0.00 C ATOM 953 CG ASN A 60 46.859 6.454 1.446 1.00 0.00 C ATOM 954 OD1 ASN A 60 46.154 7.463 1.494 1.00 0.00 O ATOM 955 ND2 ASN A 60 46.361 5.293 1.772 1.00 0.00 N ATOM 0 H ASN A 60 50.664 6.677 3.092 1.00 0.00 H new ATOM 0 HA ASN A 60 48.725 5.580 2.884 1.00 0.00 H new ATOM 0 HB2 ASN A 60 48.637 7.597 1.027 1.00 0.00 H new ATOM 0 HB3 ASN A 60 48.414 6.215 -0.027 1.00 0.00 H new ATOM 0 HD21 ASN A 60 45.387 5.220 2.067 1.00 0.00 H new ATOM 0 HD22 ASN A 60 46.945 4.458 1.732 1.00 0.00 H new ATOM 962 N ILE A 61 50.440 3.610 1.809 1.00 0.00 N ATOM 963 CA ILE A 61 50.736 2.290 1.270 1.00 0.00 C ATOM 964 C ILE A 61 49.574 1.342 1.530 1.00 0.00 C ATOM 965 O ILE A 61 48.921 1.382 2.572 1.00 0.00 O ATOM 966 CB ILE A 61 52.033 1.727 1.840 1.00 0.00 C ATOM 967 CG1 ILE A 61 53.224 2.487 1.242 1.00 0.00 C ATOM 968 CG2 ILE A 61 52.156 0.240 1.496 1.00 0.00 C ATOM 969 CD1 ILE A 61 53.199 2.434 -0.292 1.00 0.00 C ATOM 0 H ILE A 61 51.037 3.905 2.581 1.00 0.00 H new ATOM 0 HA ILE A 61 50.872 2.391 0.193 1.00 0.00 H new ATOM 0 HB ILE A 61 52.027 1.844 2.924 1.00 0.00 H new ATOM 0 HG12 ILE A 61 53.201 3.525 1.574 1.00 0.00 H new ATOM 0 HG13 ILE A 61 54.156 2.056 1.609 1.00 0.00 H new ATOM 0 HG21 ILE A 61 53.086 -0.153 1.907 1.00 0.00 H new ATOM 0 HG22 ILE A 61 51.312 -0.303 1.922 1.00 0.00 H new ATOM 0 HG23 ILE A 61 52.158 0.116 0.413 1.00 0.00 H new ATOM 0 HD11 ILE A 61 54.054 2.981 -0.689 1.00 0.00 H new ATOM 0 HD12 ILE A 61 53.247 1.396 -0.621 1.00 0.00 H new ATOM 0 HD13 ILE A 61 52.277 2.888 -0.657 1.00 0.00 H new ATOM 981 N GLN A 62 49.296 0.548 0.507 1.00 0.00 N ATOM 982 CA GLN A 62 48.175 -0.379 0.499 1.00 0.00 C ATOM 983 C GLN A 62 48.553 -1.806 0.902 1.00 0.00 C ATOM 984 O GLN A 62 49.697 -2.114 1.233 1.00 0.00 O ATOM 985 CB GLN A 62 47.581 -0.389 -0.918 1.00 0.00 C ATOM 986 CG GLN A 62 46.263 -1.177 -0.955 1.00 0.00 C ATOM 987 CD GLN A 62 45.375 -0.663 -2.087 1.00 0.00 C ATOM 988 OE1 GLN A 62 45.755 0.262 -2.805 1.00 0.00 O ATOM 989 NE2 GLN A 62 44.207 -1.212 -2.290 1.00 0.00 N ATOM 0 H GLN A 62 49.849 0.529 -0.350 1.00 0.00 H new ATOM 0 HA GLN A 62 47.456 -0.035 1.243 1.00 0.00 H new ATOM 0 HB2 GLN A 62 47.407 0.634 -1.251 1.00 0.00 H new ATOM 0 HB3 GLN A 62 48.294 -0.833 -1.612 1.00 0.00 H new ATOM 0 HG2 GLN A 62 46.469 -2.238 -1.097 1.00 0.00 H new ATOM 0 HG3 GLN A 62 45.744 -1.078 -0.002 1.00 0.00 H new ATOM 0 HE21 GLN A 62 43.893 -1.978 -1.694 1.00 0.00 H new ATOM 0 HE22 GLN A 62 43.609 -0.874 -3.044 1.00 0.00 H new ATOM 998 N LYS A 63 47.522 -2.638 0.853 1.00 0.00 N ATOM 999 CA LYS A 63 47.539 -4.066 1.167 1.00 0.00 C ATOM 1000 C LYS A 63 48.735 -4.834 0.605 1.00 0.00 C ATOM 1001 O LYS A 63 48.583 -6.007 0.273 1.00 0.00 O ATOM 1002 CB LYS A 63 46.250 -4.722 0.675 1.00 0.00 C ATOM 1003 CG LYS A 63 45.951 -5.990 1.496 1.00 0.00 C ATOM 1004 CD LYS A 63 44.437 -6.235 1.543 1.00 0.00 C ATOM 1005 CE LYS A 63 43.945 -6.701 0.171 1.00 0.00 C ATOM 1006 NZ LYS A 63 42.544 -7.197 0.291 1.00 0.00 N ATOM 0 H LYS A 63 46.594 -2.318 0.577 1.00 0.00 H new ATOM 0 HA LYS A 63 47.626 -4.120 2.252 1.00 0.00 H new ATOM 0 HB2 LYS A 63 45.420 -4.020 0.761 1.00 0.00 H new ATOM 0 HB3 LYS A 63 46.343 -4.977 -0.381 1.00 0.00 H new ATOM 0 HG2 LYS A 63 46.454 -6.849 1.051 1.00 0.00 H new ATOM 0 HG3 LYS A 63 46.342 -5.880 2.507 1.00 0.00 H new ATOM 0 HD2 LYS A 63 44.204 -6.986 2.298 1.00 0.00 H new ATOM 0 HD3 LYS A 63 43.920 -5.320 1.834 1.00 0.00 H new ATOM 0 HE2 LYS A 63 43.992 -5.879 -0.543 1.00 0.00 H new ATOM 0 HE3 LYS A 63 44.591 -7.492 -0.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 42.207 -7.514 -0.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 42.514 -7.993 0.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 41.933 -6.430 0.637 1.00 0.00 H new ATOM 1020 N GLU A 64 49.891 -4.189 0.446 1.00 0.00 N ATOM 1021 CA GLU A 64 51.059 -4.858 -0.140 1.00 0.00 C ATOM 1022 C GLU A 64 51.149 -4.664 -1.644 1.00 0.00 C ATOM 1023 O GLU A 64 51.347 -5.606 -2.412 1.00 0.00 O ATOM 1024 CB GLU A 64 50.984 -6.363 0.156 1.00 0.00 C ATOM 1025 CG GLU A 64 52.358 -7.012 0.012 1.00 0.00 C ATOM 1026 CD GLU A 64 52.217 -8.531 0.065 1.00 0.00 C ATOM 1027 OE1 GLU A 64 51.517 -9.069 -0.777 1.00 0.00 O ATOM 1028 OE2 GLU A 64 52.803 -9.131 0.950 1.00 0.00 O ATOM 0 H GLU A 64 50.046 -3.216 0.710 1.00 0.00 H new ATOM 0 HA GLU A 64 51.945 -4.410 0.309 1.00 0.00 H new ATOM 0 HB2 GLU A 64 50.606 -6.521 1.166 1.00 0.00 H new ATOM 0 HB3 GLU A 64 50.279 -6.838 -0.526 1.00 0.00 H new ATOM 0 HG2 GLU A 64 52.816 -6.712 -0.931 1.00 0.00 H new ATOM 0 HG3 GLU A 64 53.018 -6.670 0.809 1.00 0.00 H new ATOM 1035 N SER A 65 51.065 -3.394 -2.024 1.00 0.00 N ATOM 1036 CA SER A 65 51.197 -2.976 -3.410 1.00 0.00 C ATOM 1037 C SER A 65 52.590 -3.337 -3.929 1.00 0.00 C ATOM 1038 O SER A 65 53.529 -3.474 -3.148 1.00 0.00 O ATOM 1039 CB SER A 65 51.008 -1.467 -3.503 1.00 0.00 C ATOM 1040 OG SER A 65 50.591 -0.969 -2.240 1.00 0.00 O ATOM 0 H SER A 65 50.903 -2.624 -1.375 1.00 0.00 H new ATOM 0 HA SER A 65 50.442 -3.483 -4.011 1.00 0.00 H new ATOM 0 HB2 SER A 65 51.940 -0.990 -3.805 1.00 0.00 H new ATOM 0 HB3 SER A 65 50.266 -1.228 -4.265 1.00 0.00 H new ATOM 0 HG SER A 65 50.170 -0.092 -2.357 1.00 0.00 H new ATOM 1046 N THR A 66 52.714 -3.506 -5.242 1.00 0.00 N ATOM 1047 CA THR A 66 54.000 -3.867 -5.837 1.00 0.00 C ATOM 1048 C THR A 66 54.855 -2.633 -6.140 1.00 0.00 C ATOM 1049 O THR A 66 54.426 -1.726 -6.856 1.00 0.00 O ATOM 1050 CB THR A 66 53.766 -4.651 -7.132 1.00 0.00 C ATOM 1051 OG1 THR A 66 54.985 -5.252 -7.545 1.00 0.00 O ATOM 1052 CG2 THR A 66 53.262 -3.710 -8.229 1.00 0.00 C ATOM 0 H THR A 66 51.950 -3.401 -5.909 1.00 0.00 H new ATOM 0 HA THR A 66 54.538 -4.481 -5.115 1.00 0.00 H new ATOM 0 HB THR A 66 53.018 -5.423 -6.954 1.00 0.00 H new ATOM 0 HG1 THR A 66 54.837 -5.756 -8.373 1.00 0.00 H new ATOM 0 HG21 THR A 66 53.098 -4.275 -9.146 1.00 0.00 H new ATOM 0 HG22 THR A 66 52.325 -3.252 -7.913 1.00 0.00 H new ATOM 0 HG23 THR A 66 54.004 -2.932 -8.410 1.00 0.00 H new ATOM 1060 N LEU A 67 56.079 -2.622 -5.609 1.00 0.00 N ATOM 1061 CA LEU A 67 57.008 -1.516 -5.844 1.00 0.00 C ATOM 1062 C LEU A 67 57.982 -1.911 -6.950 1.00 0.00 C ATOM 1063 O LEU A 67 58.442 -3.053 -7.000 1.00 0.00 O ATOM 1064 CB LEU A 67 57.789 -1.176 -4.565 1.00 0.00 C ATOM 1065 CG LEU A 67 56.834 -0.626 -3.500 1.00 0.00 C ATOM 1066 CD1 LEU A 67 56.002 -1.763 -2.903 1.00 0.00 C ATOM 1067 CD2 LEU A 67 57.650 0.042 -2.392 1.00 0.00 C ATOM 0 H LEU A 67 56.449 -3.364 -5.015 1.00 0.00 H new ATOM 0 HA LEU A 67 56.440 -0.635 -6.142 1.00 0.00 H new ATOM 0 HB2 LEU A 67 58.293 -2.066 -4.189 1.00 0.00 H new ATOM 0 HB3 LEU A 67 58.563 -0.441 -4.786 1.00 0.00 H new ATOM 0 HG LEU A 67 56.164 0.101 -3.959 1.00 0.00 H new ATOM 0 HD11 LEU A 67 55.327 -1.362 -2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 67 55.421 -2.242 -3.691 1.00 0.00 H new ATOM 0 HD13 LEU A 67 56.665 -2.497 -2.444 1.00 0.00 H new ATOM 0 HD21 LEU A 67 56.976 0.436 -1.631 1.00 0.00 H new ATOM 0 HD22 LEU A 67 58.319 -0.691 -1.941 1.00 0.00 H new ATOM 0 HD23 LEU A 67 58.237 0.858 -2.814 1.00 0.00 H new ATOM 1079 N HIS A 68 58.281 -0.979 -7.847 1.00 0.00 N ATOM 1080 CA HIS A 68 59.185 -1.270 -8.957 1.00 0.00 C ATOM 1081 C HIS A 68 60.646 -1.125 -8.542 1.00 0.00 C ATOM 1082 O HIS A 68 61.012 -0.193 -7.826 1.00 0.00 O ATOM 1083 CB HIS A 68 58.892 -0.330 -10.126 1.00 0.00 C ATOM 1084 CG HIS A 68 59.683 -0.763 -11.327 1.00 0.00 C ATOM 1085 ND1 HIS A 68 60.133 -2.064 -11.485 1.00 0.00 N ATOM 1086 CD2 HIS A 68 60.111 -0.081 -12.438 1.00 0.00 C ATOM 1087 CE1 HIS A 68 60.799 -2.125 -12.653 1.00 0.00 C ATOM 1088 NE2 HIS A 68 60.815 -0.942 -13.274 1.00 0.00 N ATOM 0 H HIS A 68 57.917 -0.026 -7.830 1.00 0.00 H new ATOM 0 HA HIS A 68 59.018 -2.303 -9.260 1.00 0.00 H new ATOM 0 HB2 HIS A 68 57.827 -0.340 -10.356 1.00 0.00 H new ATOM 0 HB3 HIS A 68 59.151 0.694 -9.857 1.00 0.00 H new ATOM 0 HD2 HIS A 68 59.929 0.965 -12.634 1.00 0.00 H new ATOM 0 HE1 HIS A 68 61.263 -3.020 -13.041 1.00 0.00 H new ATOM 0 HE2 HIS A 68 61.250 -0.718 -14.169 1.00 0.00 H new ATOM 1096 N LEU A 69 61.476 -2.059 -9.009 1.00 0.00 N ATOM 1097 CA LEU A 69 62.905 -2.045 -8.698 1.00 0.00 C ATOM 1098 C LEU A 69 63.720 -1.910 -9.983 1.00 0.00 C ATOM 1099 O LEU A 69 63.577 -2.715 -10.904 1.00 0.00 O ATOM 1100 CB LEU A 69 63.292 -3.348 -7.981 1.00 0.00 C ATOM 1101 CG LEU A 69 64.459 -3.110 -7.008 1.00 0.00 C ATOM 1102 CD1 LEU A 69 65.605 -2.392 -7.726 1.00 0.00 C ATOM 1103 CD2 LEU A 69 63.989 -2.259 -5.819 1.00 0.00 C ATOM 0 H LEU A 69 61.183 -2.834 -9.604 1.00 0.00 H new ATOM 0 HA LEU A 69 63.117 -1.195 -8.049 1.00 0.00 H new ATOM 0 HB2 LEU A 69 62.432 -3.738 -7.436 1.00 0.00 H new ATOM 0 HB3 LEU A 69 63.573 -4.103 -8.715 1.00 0.00 H new ATOM 0 HG LEU A 69 64.811 -4.075 -6.644 1.00 0.00 H new ATOM 0 HD11 LEU A 69 66.426 -2.228 -7.028 1.00 0.00 H new ATOM 0 HD12 LEU A 69 65.953 -3.004 -8.558 1.00 0.00 H new ATOM 0 HD13 LEU A 69 65.253 -1.432 -8.104 1.00 0.00 H new ATOM 0 HD21 LEU A 69 64.823 -2.096 -5.136 1.00 0.00 H new ATOM 0 HD22 LEU A 69 63.624 -1.298 -6.181 1.00 0.00 H new ATOM 0 HD23 LEU A 69 63.187 -2.778 -5.295 1.00 0.00 H new