USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 742 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 69 TYR OH : rot 180:sc= -0.802 USER MOD Set 1.2: A 73 HIS : no HD1:sc= -0.0226 X(o=-0.82,f=-0.72) USER MOD Set 2.1: A 6 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 8 GLN : amide:sc= -0.235 K(o=-0.23,f=-1.3) USER MOD Single : A 1 GLY N :NH3+ -109:sc= 0.0512 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -50:sc= 0.926 USER MOD Single : A 9 ASN : amide:sc= -0.185 K(o=-0.19,f=-2.5) USER MOD Single : A 14 HIS : no HD1:sc= -2.64! C(o=-2.6!,f=-2.9!) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.0089) USER MOD Single : A 24 HIS : no HD1:sc= -0.0799 X(o=-0.08,f=-0.31) USER MOD Single : A 26 MET CE :methyl -127:sc= -3.03 (180deg=-7.23!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -178:sc= 0.586 (180deg=0.583) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 166:sc= -0.0156 (180deg=-0.205) USER MOD Single : A 38 GLN : amide:sc= -0.439 X(o=-0.44,f=0) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= -1.13 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -110:sc= -0.165 USER MOD Single : A 53 ASN : amide:sc=-0.00365 K(o=-0.0037,f=-1.9) USER MOD Single : A 54 HIS : no HE2:sc= -0.828 K(o=-0.83,f=-1.6) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.0176 K(o=-0.018,f=-1.6!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 132:sc= -0.815 (180deg=-2.03!) USER MOD Single : A 88 MET CE :methyl 156:sc= -1.21 (180deg=-1.76!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= -0.0819 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.793 23.918 -17.204 1.00 0.00 N ATOM 2 CA GLY A 1 -0.067 22.754 -17.104 1.00 0.00 C ATOM 3 C GLY A 1 -0.207 22.256 -15.679 1.00 0.00 C ATOM 4 O GLY A 1 0.645 22.528 -14.833 1.00 0.00 O ATOM 0 H1 GLY A 1 0.218 24.757 -17.422 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.287 24.063 -16.301 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.491 23.770 -17.961 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.053 23.000 -17.498 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.335 21.955 -17.727 1.00 0.00 H new ATOM 8 N SER A 2 -1.286 21.527 -15.411 1.00 0.00 N ATOM 9 CA SER A 2 -1.537 20.995 -14.077 1.00 0.00 C ATOM 10 C SER A 2 -0.725 19.726 -13.836 1.00 0.00 C ATOM 11 O SER A 2 -0.802 18.771 -14.608 1.00 0.00 O ATOM 12 CB SER A 2 -3.028 20.703 -13.894 1.00 0.00 C ATOM 13 OG SER A 2 -3.781 21.903 -13.851 1.00 0.00 O ATOM 0 H SER A 2 -2.000 21.291 -16.100 1.00 0.00 H new ATOM 0 HA SER A 2 -1.229 21.746 -13.349 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.382 20.077 -14.713 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.181 20.141 -12.973 1.00 0.00 H new ATOM 0 HG SER A 2 -4.730 21.689 -13.735 1.00 0.00 H new ATOM 19 N SER A 3 0.053 19.725 -12.758 1.00 0.00 N ATOM 20 CA SER A 3 0.883 18.576 -12.416 1.00 0.00 C ATOM 21 C SER A 3 0.513 18.030 -11.040 1.00 0.00 C ATOM 22 O SER A 3 0.338 18.786 -10.086 1.00 0.00 O ATOM 23 CB SER A 3 2.363 18.963 -12.443 1.00 0.00 C ATOM 24 OG SER A 3 3.191 17.819 -12.321 1.00 0.00 O ATOM 0 H SER A 3 0.126 20.507 -12.107 1.00 0.00 H new ATOM 0 HA SER A 3 0.705 17.797 -13.157 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.590 19.482 -13.374 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.575 19.658 -11.631 1.00 0.00 H new ATOM 0 HG SER A 3 4.132 18.092 -12.343 1.00 0.00 H new ATOM 30 N GLY A 4 0.397 16.708 -10.947 1.00 0.00 N ATOM 31 CA GLY A 4 0.049 16.082 -9.685 1.00 0.00 C ATOM 32 C GLY A 4 -1.435 15.795 -9.570 1.00 0.00 C ATOM 33 O GLY A 4 -2.080 15.421 -10.550 1.00 0.00 O ATOM 0 H GLY A 4 0.538 16.061 -11.723 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.605 15.151 -9.579 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.355 16.731 -8.864 1.00 0.00 H new ATOM 37 N SER A 5 -1.979 15.968 -8.370 1.00 0.00 N ATOM 38 CA SER A 5 -3.395 15.719 -8.129 1.00 0.00 C ATOM 39 C SER A 5 -3.795 14.332 -8.621 1.00 0.00 C ATOM 40 O SER A 5 -4.880 14.145 -9.172 1.00 0.00 O ATOM 41 CB SER A 5 -4.247 16.784 -8.823 1.00 0.00 C ATOM 42 OG SER A 5 -4.410 16.489 -10.199 1.00 0.00 O ATOM 0 H SER A 5 -1.460 16.280 -7.549 1.00 0.00 H new ATOM 0 HA SER A 5 -3.569 15.768 -7.054 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.223 16.843 -8.342 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.777 17.761 -8.710 1.00 0.00 H new ATOM 0 HG SER A 5 -3.535 16.302 -10.599 1.00 0.00 H new ATOM 48 N SER A 6 -2.910 13.361 -8.419 1.00 0.00 N ATOM 49 CA SER A 6 -3.167 11.991 -8.846 1.00 0.00 C ATOM 50 C SER A 6 -2.834 11.003 -7.732 1.00 0.00 C ATOM 51 O SER A 6 -2.144 11.343 -6.772 1.00 0.00 O ATOM 52 CB SER A 6 -2.349 11.661 -10.096 1.00 0.00 C ATOM 53 OG SER A 6 -2.863 10.517 -10.755 1.00 0.00 O ATOM 0 H SER A 6 -2.008 13.498 -7.962 1.00 0.00 H new ATOM 0 HA SER A 6 -4.228 11.904 -9.081 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.360 12.512 -10.777 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.309 11.488 -9.819 1.00 0.00 H new ATOM 0 HG SER A 6 -2.324 10.328 -11.551 1.00 0.00 H new ATOM 59 N GLY A 7 -3.331 9.777 -7.868 1.00 0.00 N ATOM 60 CA GLY A 7 -3.076 8.759 -6.866 1.00 0.00 C ATOM 61 C GLY A 7 -2.146 7.672 -7.368 1.00 0.00 C ATOM 62 O GLY A 7 -2.475 6.487 -7.304 1.00 0.00 O ATOM 0 H GLY A 7 -3.905 9.471 -8.654 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.641 9.225 -5.982 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.021 8.311 -6.559 1.00 0.00 H new ATOM 66 N GLN A 8 -0.984 8.075 -7.870 1.00 0.00 N ATOM 67 CA GLN A 8 -0.005 7.126 -8.387 1.00 0.00 C ATOM 68 C GLN A 8 0.866 6.575 -7.263 1.00 0.00 C ATOM 69 O GLN A 8 1.173 5.384 -7.229 1.00 0.00 O ATOM 70 CB GLN A 8 0.872 7.792 -9.448 1.00 0.00 C ATOM 71 CG GLN A 8 0.097 8.274 -10.664 1.00 0.00 C ATOM 72 CD GLN A 8 -0.933 7.266 -11.136 1.00 0.00 C ATOM 73 OE1 GLN A 8 -2.046 7.208 -10.613 1.00 0.00 O ATOM 74 NE2 GLN A 8 -0.566 6.466 -12.130 1.00 0.00 N ATOM 0 H GLN A 8 -0.697 9.052 -7.930 1.00 0.00 H new ATOM 0 HA GLN A 8 -0.546 6.297 -8.842 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.391 8.639 -8.999 1.00 0.00 H new ATOM 0 HB3 GLN A 8 1.636 7.085 -9.771 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -0.402 9.213 -10.423 1.00 0.00 H new ATOM 0 HG3 GLN A 8 0.794 8.483 -11.475 1.00 0.00 H new ATOM 0 HE21 GLN A 8 0.367 6.549 -12.534 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -1.217 5.768 -12.490 1.00 0.00 H new ATOM 83 N ASN A 9 1.261 7.451 -6.344 1.00 0.00 N ATOM 84 CA ASN A 9 2.098 7.052 -5.218 1.00 0.00 C ATOM 85 C ASN A 9 1.252 6.466 -4.092 1.00 0.00 C ATOM 86 O ASN A 9 1.700 6.370 -2.949 1.00 0.00 O ATOM 87 CB ASN A 9 2.897 8.249 -4.701 1.00 0.00 C ATOM 88 CG ASN A 9 4.018 8.647 -5.643 1.00 0.00 C ATOM 89 OD1 ASN A 9 4.026 9.753 -6.183 1.00 0.00 O ATOM 90 ND2 ASN A 9 4.970 7.744 -5.844 1.00 0.00 N ATOM 0 H ASN A 9 1.015 8.441 -6.357 1.00 0.00 H new ATOM 0 HA ASN A 9 2.790 6.285 -5.565 1.00 0.00 H new ATOM 0 HB2 ASN A 9 2.226 9.097 -4.560 1.00 0.00 H new ATOM 0 HB3 ASN A 9 3.316 8.008 -3.724 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.749 7.955 -6.468 1.00 0.00 H new ATOM 0 HD22 ASN A 9 4.922 6.840 -5.375 1.00 0.00 H new ATOM 97 N VAL A 10 0.025 6.075 -4.422 1.00 0.00 N ATOM 98 CA VAL A 10 -0.884 5.497 -3.440 1.00 0.00 C ATOM 99 C VAL A 10 -1.545 4.234 -3.979 1.00 0.00 C ATOM 100 O VAL A 10 -2.111 4.234 -5.073 1.00 0.00 O ATOM 101 CB VAL A 10 -1.978 6.501 -3.029 1.00 0.00 C ATOM 102 CG1 VAL A 10 -2.622 7.122 -4.259 1.00 0.00 C ATOM 103 CG2 VAL A 10 -3.022 5.821 -2.156 1.00 0.00 C ATOM 0 H VAL A 10 -0.362 6.148 -5.363 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.285 5.244 -2.565 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.516 7.300 -2.449 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.392 7.828 -3.949 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.864 7.645 -4.842 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.072 6.339 -4.869 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.788 6.544 -1.874 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.482 5.002 -2.710 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.545 5.429 -1.258 1.00 0.00 H new ATOM 113 N LEU A 11 -1.470 3.157 -3.204 1.00 0.00 N ATOM 114 CA LEU A 11 -2.062 1.885 -3.603 1.00 0.00 C ATOM 115 C LEU A 11 -3.149 1.459 -2.622 1.00 0.00 C ATOM 116 O LEU A 11 -2.931 1.432 -1.411 1.00 0.00 O ATOM 117 CB LEU A 11 -0.984 0.803 -3.689 1.00 0.00 C ATOM 118 CG LEU A 11 -1.482 -0.643 -3.685 1.00 0.00 C ATOM 119 CD1 LEU A 11 -1.793 -1.104 -5.101 1.00 0.00 C ATOM 120 CD2 LEU A 11 -0.455 -1.559 -3.038 1.00 0.00 C ATOM 0 H LEU A 11 -1.005 3.140 -2.296 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.516 2.016 -4.585 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.407 0.965 -4.599 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.300 0.933 -2.851 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.400 -0.689 -3.099 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.146 -2.135 -5.079 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.565 -0.465 -5.530 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.891 -1.042 -5.710 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.826 -2.584 -3.044 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.480 -1.509 -3.596 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.281 -1.242 -2.010 1.00 0.00 H new ATOM 132 N ASP A 12 -4.320 1.124 -3.153 1.00 0.00 N ATOM 133 CA ASP A 12 -5.441 0.695 -2.325 1.00 0.00 C ATOM 134 C ASP A 12 -5.588 -0.823 -2.353 1.00 0.00 C ATOM 135 O ASP A 12 -5.805 -1.417 -3.410 1.00 0.00 O ATOM 136 CB ASP A 12 -6.736 1.354 -2.801 1.00 0.00 C ATOM 137 CG ASP A 12 -7.435 0.547 -3.878 1.00 0.00 C ATOM 138 OD1 ASP A 12 -7.020 0.640 -5.052 1.00 0.00 O ATOM 139 OD2 ASP A 12 -8.395 -0.178 -3.545 1.00 0.00 O ATOM 0 H ASP A 12 -4.517 1.141 -4.154 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.241 1.004 -1.299 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.408 1.481 -1.953 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.514 2.350 -3.184 1.00 0.00 H new ATOM 144 N LEU A 13 -5.467 -1.446 -1.185 1.00 0.00 N ATOM 145 CA LEU A 13 -5.585 -2.895 -1.076 1.00 0.00 C ATOM 146 C LEU A 13 -6.944 -3.289 -0.504 1.00 0.00 C ATOM 147 O LEU A 13 -7.198 -4.463 -0.232 1.00 0.00 O ATOM 148 CB LEU A 13 -4.467 -3.453 -0.193 1.00 0.00 C ATOM 149 CG LEU A 13 -3.040 -3.220 -0.692 1.00 0.00 C ATOM 150 CD1 LEU A 13 -2.031 -3.643 0.364 1.00 0.00 C ATOM 151 CD2 LEU A 13 -2.800 -3.972 -1.993 1.00 0.00 C ATOM 0 H LEU A 13 -5.287 -0.970 -0.301 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.495 -3.318 -2.076 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.560 -3.012 0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.621 -4.526 -0.081 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.911 -2.155 -0.883 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.021 -3.470 -0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.188 -3.060 1.272 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.160 -4.702 0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.780 -3.794 -2.333 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.947 -5.039 -1.829 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.501 -3.621 -2.751 1.00 0.00 H new ATOM 163 N HIS A 14 -7.814 -2.301 -0.326 1.00 0.00 N ATOM 164 CA HIS A 14 -9.148 -2.544 0.211 1.00 0.00 C ATOM 165 C HIS A 14 -9.989 -3.354 -0.771 1.00 0.00 C ATOM 166 O HIS A 14 -10.126 -2.986 -1.937 1.00 0.00 O ATOM 167 CB HIS A 14 -9.844 -1.220 0.525 1.00 0.00 C ATOM 168 CG HIS A 14 -10.997 -1.358 1.471 1.00 0.00 C ATOM 169 ND1 HIS A 14 -11.455 -0.321 2.256 1.00 0.00 N ATOM 170 CD2 HIS A 14 -11.786 -2.420 1.755 1.00 0.00 C ATOM 171 CE1 HIS A 14 -12.476 -0.740 2.983 1.00 0.00 C ATOM 172 NE2 HIS A 14 -12.697 -2.011 2.698 1.00 0.00 N ATOM 0 H HIS A 14 -7.619 -1.324 -0.546 1.00 0.00 H new ATOM 0 HA HIS A 14 -9.043 -3.117 1.132 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -9.117 -0.529 0.951 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -10.199 -0.776 -0.405 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -11.713 -3.406 1.321 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -13.035 -0.145 3.690 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -13.425 -2.594 3.111 1.00 0.00 H new ATOM 180 N GLY A 15 -10.551 -4.460 -0.291 1.00 0.00 N ATOM 181 CA GLY A 15 -11.370 -5.304 -1.140 1.00 0.00 C ATOM 182 C GLY A 15 -10.693 -6.618 -1.478 1.00 0.00 C ATOM 183 O GLY A 15 -11.326 -7.675 -1.456 1.00 0.00 O ATOM 0 H GLY A 15 -10.453 -4.786 0.671 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.318 -5.505 -0.641 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.602 -4.771 -2.062 1.00 0.00 H new ATOM 187 N LEU A 16 -9.404 -6.554 -1.792 1.00 0.00 N ATOM 188 CA LEU A 16 -8.641 -7.747 -2.138 1.00 0.00 C ATOM 189 C LEU A 16 -8.447 -8.642 -0.918 1.00 0.00 C ATOM 190 O LEU A 16 -8.809 -8.273 0.199 1.00 0.00 O ATOM 191 CB LEU A 16 -7.281 -7.356 -2.719 1.00 0.00 C ATOM 192 CG LEU A 16 -7.304 -6.706 -4.103 1.00 0.00 C ATOM 193 CD1 LEU A 16 -6.102 -5.790 -4.282 1.00 0.00 C ATOM 194 CD2 LEU A 16 -7.334 -7.768 -5.191 1.00 0.00 C ATOM 0 H LEU A 16 -8.865 -5.688 -1.814 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.203 -8.303 -2.888 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.796 -6.669 -2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.659 -8.250 -2.770 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.209 -6.105 -4.186 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.135 -5.336 -5.272 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.125 -5.008 -3.523 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.184 -6.369 -4.179 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.350 -7.287 -6.169 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.447 -8.397 -5.110 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.226 -8.383 -5.075 1.00 0.00 H new ATOM 206 N HIS A 17 -7.872 -9.820 -1.140 1.00 0.00 N ATOM 207 CA HIS A 17 -7.627 -10.767 -0.058 1.00 0.00 C ATOM 208 C HIS A 17 -6.250 -10.543 0.559 1.00 0.00 C ATOM 209 O HIS A 17 -5.265 -10.344 -0.152 1.00 0.00 O ATOM 210 CB HIS A 17 -7.741 -12.202 -0.572 1.00 0.00 C ATOM 211 CG HIS A 17 -8.003 -13.207 0.508 1.00 0.00 C ATOM 212 ND1 HIS A 17 -7.108 -14.201 0.844 1.00 0.00 N ATOM 213 CD2 HIS A 17 -9.066 -13.366 1.330 1.00 0.00 C ATOM 214 CE1 HIS A 17 -7.611 -14.929 1.825 1.00 0.00 C ATOM 215 NE2 HIS A 17 -8.798 -14.442 2.139 1.00 0.00 N ATOM 0 H HIS A 17 -7.567 -10.141 -2.059 1.00 0.00 H new ATOM 0 HA HIS A 17 -8.381 -10.604 0.712 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -8.544 -12.253 -1.307 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -6.819 -12.468 -1.089 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -9.959 -12.759 1.346 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.133 -15.778 2.291 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -9.415 -14.806 2.865 1.00 0.00 H new ATOM 223 N VAL A 18 -6.189 -10.576 1.886 1.00 0.00 N ATOM 224 CA VAL A 18 -4.932 -10.377 2.599 1.00 0.00 C ATOM 225 C VAL A 18 -3.758 -10.952 1.814 1.00 0.00 C ATOM 226 O VAL A 18 -2.723 -10.303 1.662 1.00 0.00 O ATOM 227 CB VAL A 18 -4.970 -11.027 3.995 1.00 0.00 C ATOM 228 CG1 VAL A 18 -3.584 -11.026 4.622 1.00 0.00 C ATOM 229 CG2 VAL A 18 -5.969 -10.311 4.889 1.00 0.00 C ATOM 0 H VAL A 18 -6.995 -10.739 2.490 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.798 -9.301 2.711 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.293 -12.062 3.886 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.630 -11.489 5.608 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.898 -11.588 3.989 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.229 -10.000 4.719 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.982 -10.784 5.871 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.680 -9.265 4.994 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -6.962 -10.370 4.444 1.00 0.00 H new ATOM 239 N ASP A 19 -3.927 -12.172 1.317 1.00 0.00 N ATOM 240 CA ASP A 19 -2.881 -12.835 0.546 1.00 0.00 C ATOM 241 C ASP A 19 -2.551 -12.041 -0.714 1.00 0.00 C ATOM 242 O ASP A 19 -1.382 -11.810 -1.025 1.00 0.00 O ATOM 243 CB ASP A 19 -3.315 -14.253 0.171 1.00 0.00 C ATOM 244 CG ASP A 19 -2.157 -15.104 -0.312 1.00 0.00 C ATOM 245 OD1 ASP A 19 -1.369 -14.613 -1.146 1.00 0.00 O ATOM 246 OD2 ASP A 19 -2.040 -16.261 0.145 1.00 0.00 O ATOM 0 H ASP A 19 -4.778 -12.722 1.434 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.986 -12.890 1.165 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.776 -14.729 1.036 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.075 -14.203 -0.608 1.00 0.00 H new ATOM 251 N GLU A 20 -3.587 -11.628 -1.437 1.00 0.00 N ATOM 252 CA GLU A 20 -3.406 -10.862 -2.664 1.00 0.00 C ATOM 253 C GLU A 20 -2.729 -9.525 -2.376 1.00 0.00 C ATOM 254 O GLU A 20 -1.657 -9.233 -2.907 1.00 0.00 O ATOM 255 CB GLU A 20 -4.754 -10.626 -3.349 1.00 0.00 C ATOM 256 CG GLU A 20 -5.168 -11.753 -4.280 1.00 0.00 C ATOM 257 CD GLU A 20 -5.780 -12.926 -3.541 1.00 0.00 C ATOM 258 OE1 GLU A 20 -7.001 -12.891 -3.279 1.00 0.00 O ATOM 259 OE2 GLU A 20 -5.039 -13.880 -3.223 1.00 0.00 O ATOM 0 H GLU A 20 -4.561 -11.811 -1.194 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.764 -11.439 -3.330 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.522 -10.495 -2.586 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.706 -9.696 -3.916 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.885 -11.373 -5.008 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.297 -12.095 -4.839 1.00 0.00 H new ATOM 266 N ALA A 21 -3.362 -8.717 -1.532 1.00 0.00 N ATOM 267 CA ALA A 21 -2.821 -7.412 -1.172 1.00 0.00 C ATOM 268 C ALA A 21 -1.315 -7.486 -0.945 1.00 0.00 C ATOM 269 O ALA A 21 -0.562 -6.638 -1.425 1.00 0.00 O ATOM 270 CB ALA A 21 -3.519 -6.876 0.069 1.00 0.00 C ATOM 0 H ALA A 21 -4.250 -8.943 -1.085 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.003 -6.729 -2.001 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.105 -5.901 0.327 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.586 -6.777 -0.128 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.366 -7.566 0.899 1.00 0.00 H new ATOM 276 N LEU A 22 -0.882 -8.504 -0.210 1.00 0.00 N ATOM 277 CA LEU A 22 0.535 -8.688 0.082 1.00 0.00 C ATOM 278 C LEU A 22 1.350 -8.775 -1.205 1.00 0.00 C ATOM 279 O LEU A 22 2.282 -8.001 -1.414 1.00 0.00 O ATOM 280 CB LEU A 22 0.744 -9.952 0.918 1.00 0.00 C ATOM 281 CG LEU A 22 0.516 -9.808 2.422 1.00 0.00 C ATOM 282 CD1 LEU A 22 0.649 -11.155 3.115 1.00 0.00 C ATOM 283 CD2 LEU A 22 1.492 -8.802 3.016 1.00 0.00 C ATOM 0 H LEU A 22 -1.492 -9.215 0.195 1.00 0.00 H new ATOM 0 HA LEU A 22 0.879 -7.823 0.650 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.075 -10.726 0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.763 -10.305 0.758 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.497 -9.440 2.582 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.483 -11.032 4.185 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.090 -11.847 2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.649 -11.554 2.946 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.315 -8.712 4.088 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.514 -9.141 2.844 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.347 -7.831 2.542 1.00 0.00 H new ATOM 295 N GLU A 23 0.988 -9.722 -2.065 1.00 0.00 N ATOM 296 CA GLU A 23 1.685 -9.909 -3.332 1.00 0.00 C ATOM 297 C GLU A 23 1.823 -8.584 -4.077 1.00 0.00 C ATOM 298 O GLU A 23 2.876 -8.283 -4.641 1.00 0.00 O ATOM 299 CB GLU A 23 0.941 -10.922 -4.205 1.00 0.00 C ATOM 300 CG GLU A 23 1.133 -12.363 -3.762 1.00 0.00 C ATOM 301 CD GLU A 23 0.482 -13.355 -4.707 1.00 0.00 C ATOM 302 OE1 GLU A 23 0.260 -12.996 -5.882 1.00 0.00 O ATOM 303 OE2 GLU A 23 0.193 -14.489 -4.271 1.00 0.00 O ATOM 0 H GLU A 23 0.217 -10.371 -1.908 1.00 0.00 H new ATOM 0 HA GLU A 23 2.683 -10.291 -3.115 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.123 -10.686 -4.194 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.280 -10.819 -5.236 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.199 -12.579 -3.692 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.716 -12.491 -2.763 1.00 0.00 H new ATOM 310 N HIS A 24 0.752 -7.797 -4.076 1.00 0.00 N ATOM 311 CA HIS A 24 0.753 -6.504 -4.752 1.00 0.00 C ATOM 312 C HIS A 24 1.675 -5.520 -4.039 1.00 0.00 C ATOM 313 O HIS A 24 2.475 -4.831 -4.674 1.00 0.00 O ATOM 314 CB HIS A 24 -0.666 -5.938 -4.815 1.00 0.00 C ATOM 315 CG HIS A 24 -1.439 -6.392 -6.015 1.00 0.00 C ATOM 316 ND1 HIS A 24 -0.948 -6.314 -7.301 1.00 0.00 N ATOM 317 CD2 HIS A 24 -2.675 -6.934 -6.118 1.00 0.00 C ATOM 318 CE1 HIS A 24 -1.849 -6.787 -8.144 1.00 0.00 C ATOM 319 NE2 HIS A 24 -2.906 -7.170 -7.451 1.00 0.00 N ATOM 0 H HIS A 24 -0.127 -8.031 -3.615 1.00 0.00 H new ATOM 0 HA HIS A 24 1.123 -6.651 -5.767 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -1.205 -6.230 -3.914 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -0.614 -4.849 -4.817 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.353 -7.142 -5.304 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -1.740 -6.850 -9.217 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -3.756 -7.575 -7.842 1.00 0.00 H new ATOM 327 N LEU A 25 1.558 -5.457 -2.718 1.00 0.00 N ATOM 328 CA LEU A 25 2.380 -4.556 -1.918 1.00 0.00 C ATOM 329 C LEU A 25 3.857 -4.716 -2.264 1.00 0.00 C ATOM 330 O LEU A 25 4.617 -3.748 -2.249 1.00 0.00 O ATOM 331 CB LEU A 25 2.162 -4.821 -0.428 1.00 0.00 C ATOM 332 CG LEU A 25 3.127 -4.118 0.528 1.00 0.00 C ATOM 333 CD1 LEU A 25 2.579 -2.759 0.936 1.00 0.00 C ATOM 334 CD2 LEU A 25 3.386 -4.981 1.754 1.00 0.00 C ATOM 0 H LEU A 25 0.901 -6.020 -2.177 1.00 0.00 H new ATOM 0 HA LEU A 25 2.081 -3.533 -2.145 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.146 -4.522 -0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.231 -5.895 -0.257 1.00 0.00 H new ATOM 0 HG LEU A 25 4.074 -3.964 0.010 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.279 -2.274 1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.446 -2.139 0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.619 -2.889 1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.075 -4.465 2.423 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.446 -5.167 2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.823 -5.930 1.445 1.00 0.00 H new ATOM 346 N MET A 26 4.257 -5.945 -2.575 1.00 0.00 N ATOM 347 CA MET A 26 5.642 -6.232 -2.928 1.00 0.00 C ATOM 348 C MET A 26 5.957 -5.741 -4.337 1.00 0.00 C ATOM 349 O MET A 26 6.912 -4.992 -4.545 1.00 0.00 O ATOM 350 CB MET A 26 5.917 -7.733 -2.825 1.00 0.00 C ATOM 351 CG MET A 26 5.649 -8.307 -1.443 1.00 0.00 C ATOM 352 SD MET A 26 5.514 -10.105 -1.452 1.00 0.00 S ATOM 353 CE MET A 26 4.010 -10.336 -0.508 1.00 0.00 C ATOM 0 H MET A 26 3.641 -6.758 -2.590 1.00 0.00 H new ATOM 0 HA MET A 26 6.286 -5.703 -2.226 1.00 0.00 H new ATOM 0 HB2 MET A 26 5.299 -8.258 -3.553 1.00 0.00 H new ATOM 0 HB3 MET A 26 6.956 -7.923 -3.093 1.00 0.00 H new ATOM 0 HG2 MET A 26 6.452 -8.010 -0.769 1.00 0.00 H new ATOM 0 HG3 MET A 26 4.727 -7.879 -1.049 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.197 -11.032 0.310 1.00 0.00 H new ATOM 0 HE2 MET A 26 3.684 -9.378 -0.102 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.232 -10.739 -1.156 1.00 0.00 H new ATOM 363 N ARG A 27 5.149 -6.167 -5.302 1.00 0.00 N ATOM 364 CA ARG A 27 5.343 -5.771 -6.692 1.00 0.00 C ATOM 365 C ARG A 27 5.381 -4.252 -6.825 1.00 0.00 C ATOM 366 O ARG A 27 6.201 -3.702 -7.560 1.00 0.00 O ATOM 367 CB ARG A 27 4.226 -6.343 -7.568 1.00 0.00 C ATOM 368 CG ARG A 27 4.536 -7.722 -8.126 1.00 0.00 C ATOM 369 CD ARG A 27 3.750 -7.997 -9.399 1.00 0.00 C ATOM 370 NE ARG A 27 4.338 -9.081 -10.182 1.00 0.00 N ATOM 371 CZ ARG A 27 4.129 -9.245 -11.483 1.00 0.00 C ATOM 372 NH1 ARG A 27 3.350 -8.399 -12.144 1.00 0.00 N ATOM 373 NH2 ARG A 27 4.699 -10.256 -12.126 1.00 0.00 N ATOM 0 H ARG A 27 4.354 -6.786 -5.147 1.00 0.00 H new ATOM 0 HA ARG A 27 6.300 -6.171 -7.027 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.308 -6.395 -6.983 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.039 -5.659 -8.396 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.603 -7.801 -8.332 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.298 -8.480 -7.379 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.722 -8.252 -9.142 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.712 -7.091 -10.005 1.00 0.00 H new ATOM 0 HE ARG A 27 4.942 -9.749 -9.703 1.00 0.00 H new ATOM 0 HH11 ARG A 27 2.910 -7.621 -11.653 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.191 -8.527 -13.143 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.299 -10.908 -11.621 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.538 -10.381 -13.125 1.00 0.00 H new ATOM 387 N VAL A 28 4.487 -3.578 -6.108 1.00 0.00 N ATOM 388 CA VAL A 28 4.419 -2.122 -6.144 1.00 0.00 C ATOM 389 C VAL A 28 5.583 -1.497 -5.384 1.00 0.00 C ATOM 390 O VAL A 28 6.085 -0.436 -5.757 1.00 0.00 O ATOM 391 CB VAL A 28 3.095 -1.607 -5.548 1.00 0.00 C ATOM 392 CG1 VAL A 28 1.908 -2.194 -6.296 1.00 0.00 C ATOM 393 CG2 VAL A 28 3.017 -1.935 -4.064 1.00 0.00 C ATOM 0 H VAL A 28 3.800 -4.017 -5.495 1.00 0.00 H new ATOM 0 HA VAL A 28 4.476 -1.829 -7.192 1.00 0.00 H new ATOM 0 HB VAL A 28 3.063 -0.523 -5.660 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.982 -1.819 -5.861 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.959 -1.904 -7.345 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.931 -3.281 -6.219 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.076 -1.564 -3.658 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.071 -3.015 -3.927 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.848 -1.461 -3.542 1.00 0.00 H new ATOM 403 N LEU A 29 6.009 -2.162 -4.315 1.00 0.00 N ATOM 404 CA LEU A 29 7.116 -1.673 -3.501 1.00 0.00 C ATOM 405 C LEU A 29 8.391 -1.555 -4.330 1.00 0.00 C ATOM 406 O LEU A 29 9.187 -0.637 -4.134 1.00 0.00 O ATOM 407 CB LEU A 29 7.352 -2.606 -2.312 1.00 0.00 C ATOM 408 CG LEU A 29 6.592 -2.265 -1.030 1.00 0.00 C ATOM 409 CD1 LEU A 29 6.571 -3.459 -0.088 1.00 0.00 C ATOM 410 CD2 LEU A 29 7.214 -1.056 -0.347 1.00 0.00 C ATOM 0 H LEU A 29 5.604 -3.041 -3.992 1.00 0.00 H new ATOM 0 HA LEU A 29 6.852 -0.682 -3.131 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.083 -3.619 -2.612 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.419 -2.613 -2.087 1.00 0.00 H new ATOM 0 HG LEU A 29 5.564 -2.019 -1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.026 -3.197 0.819 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.079 -4.300 -0.577 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.593 -3.737 0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.660 -0.828 0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.252 -1.274 -0.095 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.176 -0.199 -1.019 1.00 0.00 H new ATOM 422 N GLU A 30 8.577 -2.489 -5.258 1.00 0.00 N ATOM 423 CA GLU A 30 9.755 -2.488 -6.117 1.00 0.00 C ATOM 424 C GLU A 30 9.460 -1.793 -7.443 1.00 0.00 C ATOM 425 O GLU A 30 10.326 -1.136 -8.020 1.00 0.00 O ATOM 426 CB GLU A 30 10.229 -3.920 -6.373 1.00 0.00 C ATOM 427 CG GLU A 30 10.945 -4.545 -5.188 1.00 0.00 C ATOM 428 CD GLU A 30 11.939 -5.612 -5.603 1.00 0.00 C ATOM 429 OE1 GLU A 30 11.565 -6.489 -6.409 1.00 0.00 O ATOM 430 OE2 GLU A 30 13.091 -5.570 -5.123 1.00 0.00 O ATOM 0 H GLU A 30 7.927 -3.255 -5.434 1.00 0.00 H new ATOM 0 HA GLU A 30 10.545 -1.938 -5.606 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.369 -4.537 -6.634 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.897 -3.924 -7.234 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.465 -3.766 -4.631 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.209 -4.982 -4.513 1.00 0.00 H new ATOM 437 N LYS A 31 8.230 -1.945 -7.923 1.00 0.00 N ATOM 438 CA LYS A 31 7.818 -1.334 -9.181 1.00 0.00 C ATOM 439 C LYS A 31 7.659 0.175 -9.026 1.00 0.00 C ATOM 440 O LYS A 31 8.262 0.953 -9.765 1.00 0.00 O ATOM 441 CB LYS A 31 6.503 -1.949 -9.664 1.00 0.00 C ATOM 442 CG LYS A 31 5.873 -1.202 -10.827 1.00 0.00 C ATOM 443 CD LYS A 31 4.481 -1.726 -11.139 1.00 0.00 C ATOM 444 CE LYS A 31 3.748 -0.817 -12.113 1.00 0.00 C ATOM 445 NZ LYS A 31 2.747 -1.565 -12.923 1.00 0.00 N ATOM 0 H LYS A 31 7.501 -2.487 -7.459 1.00 0.00 H new ATOM 0 HA LYS A 31 8.595 -1.526 -9.921 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.682 -2.982 -9.961 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.797 -1.974 -8.834 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.818 -0.139 -10.591 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.506 -1.300 -11.709 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.555 -2.728 -11.561 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.907 -1.810 -10.216 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.247 -0.022 -11.561 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.469 -0.339 -12.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.269 -0.911 -13.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.228 -2.308 -13.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.044 -2.000 -12.291 1.00 0.00 H new ATOM 459 N LYS A 32 6.844 0.583 -8.058 1.00 0.00 N ATOM 460 CA LYS A 32 6.607 1.999 -7.803 1.00 0.00 C ATOM 461 C LYS A 32 7.924 2.762 -7.706 1.00 0.00 C ATOM 462 O LYS A 32 8.199 3.653 -8.511 1.00 0.00 O ATOM 463 CB LYS A 32 5.805 2.179 -6.513 1.00 0.00 C ATOM 464 CG LYS A 32 4.434 1.527 -6.553 1.00 0.00 C ATOM 465 CD LYS A 32 3.398 2.444 -7.182 1.00 0.00 C ATOM 466 CE LYS A 32 2.006 1.834 -7.127 1.00 0.00 C ATOM 467 NZ LYS A 32 1.072 2.495 -8.080 1.00 0.00 N ATOM 0 H LYS A 32 6.337 -0.048 -7.437 1.00 0.00 H new ATOM 0 HA LYS A 32 6.034 2.402 -8.638 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.372 1.762 -5.681 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.686 3.244 -6.315 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.489 0.597 -7.119 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.124 1.267 -5.541 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.397 3.403 -6.664 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.668 2.643 -8.219 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.066 0.770 -7.357 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.612 1.919 -6.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.126 2.073 -7.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.020 3.512 -7.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.417 2.362 -9.052 1.00 0.00 H new ATOM 481 N THR A 33 8.737 2.407 -6.716 1.00 0.00 N ATOM 482 CA THR A 33 10.025 3.058 -6.514 1.00 0.00 C ATOM 483 C THR A 33 10.815 3.130 -7.816 1.00 0.00 C ATOM 484 O THR A 33 11.668 4.001 -7.987 1.00 0.00 O ATOM 485 CB THR A 33 10.868 2.321 -5.456 1.00 0.00 C ATOM 486 OG1 THR A 33 12.046 3.076 -5.155 1.00 0.00 O ATOM 487 CG2 THR A 33 11.259 0.934 -5.946 1.00 0.00 C ATOM 0 H THR A 33 8.526 1.672 -6.041 1.00 0.00 H new ATOM 0 HA THR A 33 9.816 4.068 -6.162 1.00 0.00 H new ATOM 0 HB THR A 33 10.266 2.214 -4.554 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.575 2.601 -4.481 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.854 0.433 -5.182 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.359 0.352 -6.146 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.844 1.023 -6.861 1.00 0.00 H new ATOM 495 N GLU A 34 10.525 2.210 -8.730 1.00 0.00 N ATOM 496 CA GLU A 34 11.209 2.171 -10.017 1.00 0.00 C ATOM 497 C GLU A 34 11.017 3.481 -10.776 1.00 0.00 C ATOM 498 O GLU A 34 11.962 4.022 -11.349 1.00 0.00 O ATOM 499 CB GLU A 34 10.694 1.002 -10.859 1.00 0.00 C ATOM 500 CG GLU A 34 11.663 0.557 -11.941 1.00 0.00 C ATOM 501 CD GLU A 34 11.446 1.285 -13.254 1.00 0.00 C ATOM 502 OE1 GLU A 34 10.279 1.588 -13.579 1.00 0.00 O ATOM 503 OE2 GLU A 34 12.444 1.553 -13.955 1.00 0.00 O ATOM 0 H GLU A 34 9.822 1.482 -8.603 1.00 0.00 H new ATOM 0 HA GLU A 34 12.274 2.033 -9.828 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.483 0.158 -10.203 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.750 1.288 -11.324 1.00 0.00 H new ATOM 0 HG2 GLU A 34 12.685 0.726 -11.601 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.554 -0.516 -12.102 1.00 0.00 H new ATOM 510 N GLU A 35 9.786 3.984 -10.774 1.00 0.00 N ATOM 511 CA GLU A 35 9.470 5.230 -11.463 1.00 0.00 C ATOM 512 C GLU A 35 9.917 6.435 -10.641 1.00 0.00 C ATOM 513 O GLU A 35 10.273 7.478 -11.191 1.00 0.00 O ATOM 514 CB GLU A 35 7.968 5.317 -11.742 1.00 0.00 C ATOM 515 CG GLU A 35 7.140 5.661 -10.515 1.00 0.00 C ATOM 516 CD GLU A 35 5.813 6.304 -10.868 1.00 0.00 C ATOM 517 OE1 GLU A 35 5.818 7.477 -11.296 1.00 0.00 O ATOM 518 OE2 GLU A 35 4.771 5.634 -10.715 1.00 0.00 O ATOM 0 H GLU A 35 8.993 3.548 -10.304 1.00 0.00 H new ATOM 0 HA GLU A 35 10.009 5.239 -12.410 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.793 6.070 -12.511 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.626 4.364 -12.145 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.958 4.754 -9.938 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.708 6.337 -9.876 1.00 0.00 H new ATOM 525 N PHE A 36 9.895 6.285 -9.321 1.00 0.00 N ATOM 526 CA PHE A 36 10.296 7.360 -8.422 1.00 0.00 C ATOM 527 C PHE A 36 11.743 7.771 -8.677 1.00 0.00 C ATOM 528 O PHE A 36 12.105 8.938 -8.526 1.00 0.00 O ATOM 529 CB PHE A 36 10.126 6.926 -6.965 1.00 0.00 C ATOM 530 CG PHE A 36 11.149 7.520 -6.039 1.00 0.00 C ATOM 531 CD1 PHE A 36 11.209 8.890 -5.841 1.00 0.00 C ATOM 532 CD2 PHE A 36 12.050 6.710 -5.368 1.00 0.00 C ATOM 533 CE1 PHE A 36 12.149 9.441 -4.989 1.00 0.00 C ATOM 534 CE2 PHE A 36 12.991 7.255 -4.515 1.00 0.00 C ATOM 535 CZ PHE A 36 13.041 8.622 -4.326 1.00 0.00 C ATOM 0 H PHE A 36 9.603 5.429 -8.850 1.00 0.00 H new ATOM 0 HA PHE A 36 9.654 8.219 -8.615 1.00 0.00 H new ATOM 0 HB2 PHE A 36 9.130 7.210 -6.624 1.00 0.00 H new ATOM 0 HB3 PHE A 36 10.185 5.839 -6.909 1.00 0.00 H new ATOM 0 HD1 PHE A 36 10.514 9.535 -6.358 1.00 0.00 H new ATOM 0 HD2 PHE A 36 12.017 5.640 -5.513 1.00 0.00 H new ATOM 0 HE1 PHE A 36 12.185 10.510 -4.843 1.00 0.00 H new ATOM 0 HE2 PHE A 36 13.687 6.612 -3.997 1.00 0.00 H new ATOM 0 HZ PHE A 36 13.777 9.050 -3.661 1.00 0.00 H new ATOM 545 N LYS A 37 12.567 6.804 -9.065 1.00 0.00 N ATOM 546 CA LYS A 37 13.975 7.062 -9.342 1.00 0.00 C ATOM 547 C LYS A 37 14.190 7.375 -10.820 1.00 0.00 C ATOM 548 O LYS A 37 14.904 8.315 -11.166 1.00 0.00 O ATOM 549 CB LYS A 37 14.826 5.857 -8.936 1.00 0.00 C ATOM 550 CG LYS A 37 14.826 5.590 -7.440 1.00 0.00 C ATOM 551 CD LYS A 37 15.202 4.150 -7.132 1.00 0.00 C ATOM 552 CE LYS A 37 16.673 3.885 -7.414 1.00 0.00 C ATOM 553 NZ LYS A 37 17.559 4.598 -6.452 1.00 0.00 N ATOM 0 H LYS A 37 12.283 5.833 -9.195 1.00 0.00 H new ATOM 0 HA LYS A 37 14.282 7.929 -8.756 1.00 0.00 H new ATOM 0 HB2 LYS A 37 14.459 4.972 -9.455 1.00 0.00 H new ATOM 0 HB3 LYS A 37 15.852 6.018 -9.268 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.528 6.264 -6.949 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.839 5.805 -7.031 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.986 3.932 -6.086 1.00 0.00 H new ATOM 0 HD3 LYS A 37 14.589 3.477 -7.731 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.866 2.814 -7.360 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.911 4.201 -8.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.524 4.215 -6.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.572 5.613 -6.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 17.200 4.464 -5.485 1.00 0.00 H new ATOM 567 N GLN A 38 13.566 6.581 -11.684 1.00 0.00 N ATOM 568 CA GLN A 38 13.690 6.774 -13.124 1.00 0.00 C ATOM 569 C GLN A 38 13.030 8.080 -13.557 1.00 0.00 C ATOM 570 O GLN A 38 13.670 8.939 -14.162 1.00 0.00 O ATOM 571 CB GLN A 38 13.061 5.599 -13.874 1.00 0.00 C ATOM 572 CG GLN A 38 14.007 4.425 -14.068 1.00 0.00 C ATOM 573 CD GLN A 38 14.817 4.532 -15.345 1.00 0.00 C ATOM 574 OE1 GLN A 38 14.530 3.858 -16.334 1.00 0.00 O ATOM 575 NE2 GLN A 38 15.837 5.383 -15.329 1.00 0.00 N ATOM 0 H GLN A 38 12.970 5.799 -11.412 1.00 0.00 H new ATOM 0 HA GLN A 38 14.751 6.825 -13.368 1.00 0.00 H new ATOM 0 HB2 GLN A 38 12.181 5.259 -13.328 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.718 5.943 -14.850 1.00 0.00 H new ATOM 0 HG2 GLN A 38 14.685 4.365 -13.216 1.00 0.00 H new ATOM 0 HG3 GLN A 38 13.432 3.499 -14.084 1.00 0.00 H new ATOM 0 HE21 GLN A 38 16.039 5.922 -14.487 1.00 0.00 H new ATOM 0 HE22 GLN A 38 16.419 5.498 -16.159 1.00 0.00 H new ATOM 584 N ASN A 39 11.747 8.221 -13.242 1.00 0.00 N ATOM 585 CA ASN A 39 11.000 9.422 -13.599 1.00 0.00 C ATOM 586 C ASN A 39 11.035 10.442 -12.464 1.00 0.00 C ATOM 587 O ASN A 39 11.643 11.504 -12.588 1.00 0.00 O ATOM 588 CB ASN A 39 9.551 9.065 -13.935 1.00 0.00 C ATOM 589 CG ASN A 39 9.369 8.697 -15.395 1.00 0.00 C ATOM 590 OD1 ASN A 39 9.909 7.695 -15.865 1.00 0.00 O ATOM 591 ND2 ASN A 39 8.607 9.508 -16.119 1.00 0.00 N ATOM 0 H ASN A 39 11.203 7.519 -12.740 1.00 0.00 H new ATOM 0 HA ASN A 39 11.471 9.865 -14.476 1.00 0.00 H new ATOM 0 HB2 ASN A 39 9.231 8.231 -13.310 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.906 9.910 -13.693 1.00 0.00 H new ATOM 0 HD21 ASN A 39 8.449 9.312 -17.107 1.00 0.00 H new ATOM 0 HD22 ASN A 39 8.180 10.327 -15.687 1.00 0.00 H new ATOM 598 N GLY A 40 10.377 10.110 -11.357 1.00 0.00 N ATOM 599 CA GLY A 40 10.345 11.006 -10.216 1.00 0.00 C ATOM 600 C GLY A 40 8.991 11.033 -9.537 1.00 0.00 C ATOM 601 O GLY A 40 7.970 11.271 -10.181 1.00 0.00 O ATOM 0 H GLY A 40 9.866 9.237 -11.230 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.103 10.699 -9.496 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.605 12.013 -10.542 1.00 0.00 H new ATOM 605 N GLY A 41 8.980 10.785 -8.231 1.00 0.00 N ATOM 606 CA GLY A 41 7.735 10.784 -7.486 1.00 0.00 C ATOM 607 C GLY A 41 7.953 10.911 -5.991 1.00 0.00 C ATOM 608 O GLY A 41 9.040 11.276 -5.543 1.00 0.00 O ATOM 0 H GLY A 41 9.812 10.585 -7.675 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.109 11.607 -7.830 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.192 9.862 -7.694 1.00 0.00 H new ATOM 612 N LYS A 42 6.917 10.609 -5.216 1.00 0.00 N ATOM 613 CA LYS A 42 6.999 10.691 -3.763 1.00 0.00 C ATOM 614 C LYS A 42 7.957 9.640 -3.211 1.00 0.00 C ATOM 615 O LYS A 42 7.985 8.495 -3.661 1.00 0.00 O ATOM 616 CB LYS A 42 5.612 10.508 -3.142 1.00 0.00 C ATOM 617 CG LYS A 42 4.559 11.437 -3.721 1.00 0.00 C ATOM 618 CD LYS A 42 4.549 12.780 -3.011 1.00 0.00 C ATOM 619 CE LYS A 42 3.611 12.771 -1.813 1.00 0.00 C ATOM 620 NZ LYS A 42 2.189 12.938 -2.222 1.00 0.00 N ATOM 0 H LYS A 42 6.010 10.305 -5.570 1.00 0.00 H new ATOM 0 HA LYS A 42 7.381 11.678 -3.501 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.292 9.476 -3.285 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.680 10.674 -2.067 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.750 11.588 -4.784 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.577 10.972 -3.636 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.559 13.026 -2.682 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.242 13.559 -3.709 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.725 11.833 -1.269 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.889 13.572 -1.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.581 12.927 -1.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.075 13.845 -2.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.916 12.160 -2.855 1.00 0.00 H new ATOM 634 N PRO A 43 8.761 10.036 -2.213 1.00 0.00 N ATOM 635 CA PRO A 43 9.733 9.142 -1.578 1.00 0.00 C ATOM 636 C PRO A 43 9.064 8.059 -0.740 1.00 0.00 C ATOM 637 O PRO A 43 9.737 7.254 -0.096 1.00 0.00 O ATOM 638 CB PRO A 43 10.548 10.081 -0.685 1.00 0.00 C ATOM 639 CG PRO A 43 9.632 11.221 -0.399 1.00 0.00 C ATOM 640 CD PRO A 43 8.781 11.387 -1.628 1.00 0.00 C ATOM 0 HA PRO A 43 10.331 8.603 -2.313 1.00 0.00 H new ATOM 0 HB2 PRO A 43 10.859 9.583 0.233 1.00 0.00 H new ATOM 0 HB3 PRO A 43 11.455 10.418 -1.188 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.017 11.017 0.477 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.195 12.130 -0.188 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.778 11.732 -1.379 1.00 0.00 H new ATOM 0 HD3 PRO A 43 9.207 12.117 -2.316 1.00 0.00 H new ATOM 648 N TYR A 44 7.735 8.043 -0.754 1.00 0.00 N ATOM 649 CA TYR A 44 6.975 7.059 0.007 1.00 0.00 C ATOM 650 C TYR A 44 5.771 6.566 -0.790 1.00 0.00 C ATOM 651 O TYR A 44 5.506 7.042 -1.895 1.00 0.00 O ATOM 652 CB TYR A 44 6.511 7.658 1.336 1.00 0.00 C ATOM 653 CG TYR A 44 6.018 9.082 1.218 1.00 0.00 C ATOM 654 CD1 TYR A 44 4.713 9.356 0.825 1.00 0.00 C ATOM 655 CD2 TYR A 44 6.856 10.154 1.499 1.00 0.00 C ATOM 656 CE1 TYR A 44 4.258 10.656 0.716 1.00 0.00 C ATOM 657 CE2 TYR A 44 6.409 11.457 1.394 1.00 0.00 C ATOM 658 CZ TYR A 44 5.110 11.703 1.002 1.00 0.00 C ATOM 659 OH TYR A 44 4.661 13.000 0.894 1.00 0.00 O ATOM 0 H TYR A 44 7.163 8.700 -1.284 1.00 0.00 H new ATOM 0 HA TYR A 44 7.628 6.209 0.208 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.713 7.039 1.745 1.00 0.00 H new ATOM 0 HB3 TYR A 44 7.336 7.626 2.047 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.043 8.539 0.601 1.00 0.00 H new ATOM 0 HD2 TYR A 44 7.874 9.965 1.805 1.00 0.00 H new ATOM 0 HE1 TYR A 44 3.241 10.852 0.409 1.00 0.00 H new ATOM 0 HE2 TYR A 44 7.073 12.279 1.618 1.00 0.00 H new ATOM 0 HH TYR A 44 5.384 13.617 1.132 1.00 0.00 H new ATOM 669 N LEU A 45 5.044 5.611 -0.221 1.00 0.00 N ATOM 670 CA LEU A 45 3.866 5.053 -0.877 1.00 0.00 C ATOM 671 C LEU A 45 2.705 4.926 0.104 1.00 0.00 C ATOM 672 O LEU A 45 2.845 4.334 1.174 1.00 0.00 O ATOM 673 CB LEU A 45 4.193 3.684 -1.477 1.00 0.00 C ATOM 674 CG LEU A 45 3.094 3.043 -2.325 1.00 0.00 C ATOM 675 CD1 LEU A 45 3.118 3.601 -3.740 1.00 0.00 C ATOM 676 CD2 LEU A 45 3.249 1.530 -2.344 1.00 0.00 C ATOM 0 H LEU A 45 5.249 5.207 0.693 1.00 0.00 H new ATOM 0 HA LEU A 45 3.570 5.732 -1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.087 3.783 -2.092 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.440 3.002 -0.663 1.00 0.00 H new ATOM 0 HG LEU A 45 2.130 3.284 -1.878 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.329 3.133 -4.329 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.957 4.679 -3.709 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.085 3.391 -4.197 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.458 1.091 -2.952 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.219 1.269 -2.767 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.181 1.144 -1.327 1.00 0.00 H new ATOM 688 N SER A 46 1.559 5.486 -0.268 1.00 0.00 N ATOM 689 CA SER A 46 0.373 5.437 0.579 1.00 0.00 C ATOM 690 C SER A 46 -0.431 4.168 0.316 1.00 0.00 C ATOM 691 O SER A 46 -1.056 4.022 -0.734 1.00 0.00 O ATOM 692 CB SER A 46 -0.502 6.669 0.339 1.00 0.00 C ATOM 693 OG SER A 46 0.055 7.818 0.952 1.00 0.00 O ATOM 0 H SER A 46 1.426 5.979 -1.151 1.00 0.00 H new ATOM 0 HA SER A 46 0.699 5.429 1.619 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.608 6.840 -0.732 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.502 6.491 0.734 1.00 0.00 H new ATOM 0 HG SER A 46 -0.522 8.592 0.782 1.00 0.00 H new ATOM 699 N VAL A 47 -0.411 3.252 1.279 1.00 0.00 N ATOM 700 CA VAL A 47 -1.138 1.995 1.154 1.00 0.00 C ATOM 701 C VAL A 47 -2.421 2.017 1.977 1.00 0.00 C ATOM 702 O VAL A 47 -2.380 2.036 3.208 1.00 0.00 O ATOM 703 CB VAL A 47 -0.276 0.799 1.601 1.00 0.00 C ATOM 704 CG1 VAL A 47 -1.064 -0.497 1.496 1.00 0.00 C ATOM 705 CG2 VAL A 47 1.000 0.726 0.776 1.00 0.00 C ATOM 0 H VAL A 47 0.101 3.357 2.155 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.388 1.879 0.099 1.00 0.00 H new ATOM 0 HB VAL A 47 0.001 0.943 2.645 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.438 -1.330 1.816 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.946 -0.439 2.134 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.374 -0.652 0.462 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.598 -0.124 1.105 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.746 0.606 -0.277 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.572 1.644 0.909 1.00 0.00 H new ATOM 715 N ILE A 48 -3.559 2.015 1.290 1.00 0.00 N ATOM 716 CA ILE A 48 -4.854 2.034 1.959 1.00 0.00 C ATOM 717 C ILE A 48 -5.441 0.631 2.060 1.00 0.00 C ATOM 718 O ILE A 48 -5.848 0.042 1.057 1.00 0.00 O ATOM 719 CB ILE A 48 -5.854 2.945 1.222 1.00 0.00 C ATOM 720 CG1 ILE A 48 -5.358 4.393 1.227 1.00 0.00 C ATOM 721 CG2 ILE A 48 -7.230 2.849 1.864 1.00 0.00 C ATOM 722 CD1 ILE A 48 -4.489 4.737 0.038 1.00 0.00 C ATOM 0 H ILE A 48 -3.610 2.000 0.271 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.686 2.428 2.961 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.933 2.611 0.187 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.218 5.063 1.245 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.795 4.573 2.143 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -7.926 3.498 1.332 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.584 1.819 1.814 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -7.168 3.161 2.907 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.174 5.778 0.107 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.611 4.092 0.030 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.056 4.590 -0.881 1.00 0.00 H new ATOM 734 N THR A 49 -5.484 0.099 3.277 1.00 0.00 N ATOM 735 CA THR A 49 -6.022 -1.235 3.511 1.00 0.00 C ATOM 736 C THR A 49 -7.537 -1.196 3.677 1.00 0.00 C ATOM 737 O THR A 49 -8.264 -1.935 3.014 1.00 0.00 O ATOM 738 CB THR A 49 -5.397 -1.883 4.760 1.00 0.00 C ATOM 739 OG1 THR A 49 -5.646 -1.068 5.911 1.00 0.00 O ATOM 740 CG2 THR A 49 -3.898 -2.069 4.580 1.00 0.00 C ATOM 0 H THR A 49 -5.152 0.573 4.117 1.00 0.00 H new ATOM 0 HA THR A 49 -5.770 -1.834 2.636 1.00 0.00 H new ATOM 0 HB THR A 49 -5.855 -2.862 4.902 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.807 -0.658 6.210 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.478 -2.528 5.475 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.712 -2.713 3.720 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.428 -1.099 4.416 1.00 0.00 H new ATOM 748 N GLY A 50 -8.008 -0.327 4.567 1.00 0.00 N ATOM 749 CA GLY A 50 -9.435 -0.207 4.803 1.00 0.00 C ATOM 750 C GLY A 50 -9.878 1.234 4.957 1.00 0.00 C ATOM 751 O GLY A 50 -9.072 2.155 4.827 1.00 0.00 O ATOM 0 H GLY A 50 -7.427 0.296 5.128 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.977 -0.664 3.975 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.699 -0.763 5.702 1.00 0.00 H new ATOM 755 N ARG A 51 -11.164 1.430 5.232 1.00 0.00 N ATOM 756 CA ARG A 51 -11.713 2.770 5.400 1.00 0.00 C ATOM 757 C ARG A 51 -12.985 2.734 6.242 1.00 0.00 C ATOM 758 O ARG A 51 -13.573 1.674 6.452 1.00 0.00 O ATOM 759 CB ARG A 51 -12.009 3.397 4.036 1.00 0.00 C ATOM 760 CG ARG A 51 -12.013 4.917 4.053 1.00 0.00 C ATOM 761 CD ARG A 51 -11.593 5.490 2.709 1.00 0.00 C ATOM 762 NE ARG A 51 -11.293 6.917 2.792 1.00 0.00 N ATOM 763 CZ ARG A 51 -12.223 7.858 2.907 1.00 0.00 C ATOM 764 NH1 ARG A 51 -13.506 7.525 2.954 1.00 0.00 N ATOM 765 NH2 ARG A 51 -11.871 9.136 2.977 1.00 0.00 N ATOM 0 H ARG A 51 -11.844 0.678 5.343 1.00 0.00 H new ATOM 0 HA ARG A 51 -10.971 3.378 5.919 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.265 3.052 3.318 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -12.979 3.043 3.686 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -13.010 5.276 4.307 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.337 5.275 4.830 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -10.715 4.956 2.345 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -12.388 5.329 1.982 1.00 0.00 H new ATOM 0 HE ARG A 51 -10.316 7.207 2.760 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -13.781 6.544 2.902 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -14.218 8.250 3.042 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.885 9.396 2.942 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -12.586 9.858 3.065 1.00 0.00 H new ATOM 779 N GLY A 52 -13.403 3.901 6.723 1.00 0.00 N ATOM 780 CA GLY A 52 -14.602 3.981 7.538 1.00 0.00 C ATOM 781 C GLY A 52 -14.340 3.633 8.990 1.00 0.00 C ATOM 782 O GLY A 52 -13.190 3.569 9.422 1.00 0.00 O ATOM 0 H GLY A 52 -12.933 4.792 6.563 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -15.012 4.989 7.477 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -15.357 3.305 7.136 1.00 0.00 H new ATOM 786 N ASN A 53 -15.411 3.410 9.745 1.00 0.00 N ATOM 787 CA ASN A 53 -15.291 3.070 11.158 1.00 0.00 C ATOM 788 C ASN A 53 -14.791 1.639 11.333 1.00 0.00 C ATOM 789 O ASN A 53 -15.527 0.680 11.098 1.00 0.00 O ATOM 790 CB ASN A 53 -16.640 3.240 11.861 1.00 0.00 C ATOM 791 CG ASN A 53 -16.497 3.353 13.366 1.00 0.00 C ATOM 792 OD1 ASN A 53 -15.410 3.170 13.914 1.00 0.00 O ATOM 793 ND2 ASN A 53 -17.599 3.656 14.044 1.00 0.00 N ATOM 0 H ASN A 53 -16.371 3.459 9.402 1.00 0.00 H new ATOM 0 HA ASN A 53 -14.565 3.747 11.609 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -17.136 4.132 11.478 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -17.281 2.391 11.622 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -17.565 3.745 15.060 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -18.479 3.799 13.549 1.00 0.00 H new ATOM 800 N HIS A 54 -13.535 1.503 11.747 1.00 0.00 N ATOM 801 CA HIS A 54 -12.936 0.190 11.955 1.00 0.00 C ATOM 802 C HIS A 54 -13.315 -0.370 13.322 1.00 0.00 C ATOM 803 O HIS A 54 -13.713 -1.529 13.441 1.00 0.00 O ATOM 804 CB HIS A 54 -11.415 0.274 11.828 1.00 0.00 C ATOM 805 CG HIS A 54 -10.933 0.319 10.411 1.00 0.00 C ATOM 806 ND1 HIS A 54 -10.585 -0.809 9.699 1.00 0.00 N ATOM 807 CD2 HIS A 54 -10.743 1.365 9.573 1.00 0.00 C ATOM 808 CE1 HIS A 54 -10.201 -0.459 8.484 1.00 0.00 C ATOM 809 NE2 HIS A 54 -10.288 0.855 8.382 1.00 0.00 N ATOM 0 H HIS A 54 -12.913 2.286 11.945 1.00 0.00 H new ATOM 0 HA HIS A 54 -13.320 -0.483 11.188 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -11.064 1.164 12.351 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -10.969 -0.586 12.327 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -10.619 -1.764 10.054 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -10.917 2.407 9.799 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -9.872 -1.133 7.707 1.00 0.00 H new ATOM 817 N SER A 55 -13.187 0.461 14.352 1.00 0.00 N ATOM 818 CA SER A 55 -13.512 0.047 15.713 1.00 0.00 C ATOM 819 C SER A 55 -14.779 -0.802 15.735 1.00 0.00 C ATOM 820 O SER A 55 -14.827 -1.846 16.383 1.00 0.00 O ATOM 821 CB SER A 55 -13.689 1.272 16.612 1.00 0.00 C ATOM 822 OG SER A 55 -12.442 1.883 16.894 1.00 0.00 O ATOM 0 H SER A 55 -12.861 1.424 14.270 1.00 0.00 H new ATOM 0 HA SER A 55 -12.686 -0.556 16.090 1.00 0.00 H new ATOM 0 HB2 SER A 55 -14.348 1.991 16.126 1.00 0.00 H new ATOM 0 HB3 SER A 55 -14.171 0.976 17.544 1.00 0.00 H new ATOM 0 HG SER A 55 -12.583 2.664 17.469 1.00 0.00 H new ATOM 828 N GLN A 56 -15.803 -0.344 15.021 1.00 0.00 N ATOM 829 CA GLN A 56 -17.071 -1.061 14.959 1.00 0.00 C ATOM 830 C GLN A 56 -17.548 -1.200 13.517 1.00 0.00 C ATOM 831 O GLN A 56 -17.535 -0.236 12.752 1.00 0.00 O ATOM 832 CB GLN A 56 -18.131 -0.338 15.791 1.00 0.00 C ATOM 833 CG GLN A 56 -18.017 -0.602 17.284 1.00 0.00 C ATOM 834 CD GLN A 56 -19.267 -0.206 18.044 1.00 0.00 C ATOM 835 OE1 GLN A 56 -20.294 0.119 17.447 1.00 0.00 O ATOM 836 NE2 GLN A 56 -19.187 -0.232 19.369 1.00 0.00 N ATOM 0 H GLN A 56 -15.779 0.519 14.478 1.00 0.00 H new ATOM 0 HA GLN A 56 -16.915 -2.059 15.369 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -18.051 0.734 15.613 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -19.120 -0.645 15.451 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -17.817 -1.661 17.448 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -17.165 -0.052 17.682 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -18.316 -0.508 19.822 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -19.997 0.024 19.934 1.00 0.00 H new ATOM 845 N GLY A 57 -17.968 -2.407 13.151 1.00 0.00 N ATOM 846 CA GLY A 57 -18.442 -2.650 11.801 1.00 0.00 C ATOM 847 C GLY A 57 -17.457 -2.185 10.747 1.00 0.00 C ATOM 848 O GLY A 57 -17.783 -1.344 9.910 1.00 0.00 O ATOM 0 H GLY A 57 -17.988 -3.221 13.765 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -18.631 -3.716 11.672 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -19.393 -2.138 11.656 1.00 0.00 H new ATOM 852 N GLY A 58 -16.245 -2.731 10.789 1.00 0.00 N ATOM 853 CA GLY A 58 -15.227 -2.353 9.827 1.00 0.00 C ATOM 854 C GLY A 58 -13.883 -2.986 10.126 1.00 0.00 C ATOM 855 O GLY A 58 -12.849 -2.320 10.072 1.00 0.00 O ATOM 0 H GLY A 58 -15.951 -3.428 11.473 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -15.549 -2.646 8.828 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -15.121 -1.268 9.822 1.00 0.00 H new ATOM 859 N VAL A 59 -13.896 -4.277 10.445 1.00 0.00 N ATOM 860 CA VAL A 59 -12.669 -5.000 10.754 1.00 0.00 C ATOM 861 C VAL A 59 -11.794 -5.154 9.515 1.00 0.00 C ATOM 862 O VAL A 59 -12.294 -5.368 8.412 1.00 0.00 O ATOM 863 CB VAL A 59 -12.970 -6.395 11.333 1.00 0.00 C ATOM 864 CG1 VAL A 59 -11.678 -7.146 11.618 1.00 0.00 C ATOM 865 CG2 VAL A 59 -13.818 -6.278 12.591 1.00 0.00 C ATOM 0 H VAL A 59 -14.743 -4.843 10.496 1.00 0.00 H new ATOM 0 HA VAL A 59 -12.135 -4.412 11.501 1.00 0.00 H new ATOM 0 HB VAL A 59 -13.535 -6.962 10.593 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -11.911 -8.129 12.027 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -11.113 -7.262 10.693 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -11.083 -6.586 12.339 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -14.021 -7.273 12.987 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -13.282 -5.693 13.338 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -14.759 -5.784 12.351 1.00 0.00 H new ATOM 875 N ALA A 60 -10.483 -5.043 9.706 1.00 0.00 N ATOM 876 CA ALA A 60 -9.537 -5.172 8.604 1.00 0.00 C ATOM 877 C ALA A 60 -8.464 -6.209 8.920 1.00 0.00 C ATOM 878 O ALA A 60 -7.812 -6.142 9.962 1.00 0.00 O ATOM 879 CB ALA A 60 -8.899 -3.826 8.296 1.00 0.00 C ATOM 0 H ALA A 60 -10.052 -4.864 10.613 1.00 0.00 H new ATOM 0 HA ALA A 60 -10.085 -5.511 7.725 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -8.195 -3.937 7.471 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -9.674 -3.111 8.018 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -8.371 -3.464 9.178 1.00 0.00 H new ATOM 885 N ARG A 61 -8.288 -7.166 8.016 1.00 0.00 N ATOM 886 CA ARG A 61 -7.295 -8.218 8.200 1.00 0.00 C ATOM 887 C ARG A 61 -6.079 -7.979 7.310 1.00 0.00 C ATOM 888 O ARG A 61 -5.070 -8.676 7.421 1.00 0.00 O ATOM 889 CB ARG A 61 -7.906 -9.585 7.889 1.00 0.00 C ATOM 890 CG ARG A 61 -8.999 -9.999 8.862 1.00 0.00 C ATOM 891 CD ARG A 61 -9.179 -11.509 8.888 1.00 0.00 C ATOM 892 NE ARG A 61 -10.136 -11.928 9.909 1.00 0.00 N ATOM 893 CZ ARG A 61 -10.808 -13.073 9.860 1.00 0.00 C ATOM 894 NH1 ARG A 61 -10.628 -13.908 8.846 1.00 0.00 N ATOM 895 NH2 ARG A 61 -11.661 -13.384 10.827 1.00 0.00 N ATOM 0 H ARG A 61 -8.820 -7.235 7.148 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.972 -8.200 9.241 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.317 -9.569 6.880 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.117 -10.337 7.900 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.751 -9.644 9.862 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -9.939 -9.524 8.579 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -9.519 -11.851 7.910 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.217 -11.986 9.075 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.297 -11.308 10.703 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.972 -13.672 8.101 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.145 -14.786 8.811 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.801 -12.744 11.609 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -12.177 -14.263 10.789 1.00 0.00 H new ATOM 909 N ILE A 62 -6.182 -6.990 6.428 1.00 0.00 N ATOM 910 CA ILE A 62 -5.090 -6.659 5.521 1.00 0.00 C ATOM 911 C ILE A 62 -4.020 -5.833 6.226 1.00 0.00 C ATOM 912 O ILE A 62 -2.850 -6.212 6.261 1.00 0.00 O ATOM 913 CB ILE A 62 -5.596 -5.882 4.291 1.00 0.00 C ATOM 914 CG1 ILE A 62 -6.628 -6.712 3.525 1.00 0.00 C ATOM 915 CG2 ILE A 62 -4.433 -5.507 3.386 1.00 0.00 C ATOM 916 CD1 ILE A 62 -7.519 -5.886 2.623 1.00 0.00 C ATOM 0 H ILE A 62 -7.010 -6.404 6.322 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.657 -7.603 5.191 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.076 -4.965 4.632 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.108 -7.458 2.924 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -7.249 -7.253 4.239 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.807 -4.959 2.521 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.731 -4.881 3.937 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.927 -6.412 3.050 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -8.226 -6.540 2.112 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -8.066 -5.157 3.221 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.908 -5.365 1.886 1.00 0.00 H new ATOM 928 N LYS A 63 -4.430 -4.701 6.789 1.00 0.00 N ATOM 929 CA LYS A 63 -3.508 -3.821 7.497 1.00 0.00 C ATOM 930 C LYS A 63 -2.533 -4.627 8.350 1.00 0.00 C ATOM 931 O LYS A 63 -1.319 -4.426 8.304 1.00 0.00 O ATOM 932 CB LYS A 63 -4.284 -2.840 8.380 1.00 0.00 C ATOM 933 CG LYS A 63 -3.595 -1.497 8.547 1.00 0.00 C ATOM 934 CD LYS A 63 -2.791 -1.439 9.835 1.00 0.00 C ATOM 935 CE LYS A 63 -3.695 -1.306 11.051 1.00 0.00 C ATOM 936 NZ LYS A 63 -2.948 -1.514 12.323 1.00 0.00 N ATOM 0 H LYS A 63 -5.395 -4.372 6.769 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.938 -3.261 6.756 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.273 -2.681 7.950 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.432 -3.288 9.363 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.936 -1.317 7.697 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.341 -0.702 8.546 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.185 -2.340 9.928 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.103 -0.595 9.798 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.153 -0.317 11.056 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.505 -2.032 10.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.599 -1.415 13.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.532 -2.467 12.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.191 -0.805 12.401 1.00 0.00 H new ATOM 950 N PRO A 64 -3.074 -5.561 9.145 1.00 0.00 N ATOM 951 CA PRO A 64 -2.268 -6.417 10.022 1.00 0.00 C ATOM 952 C PRO A 64 -1.078 -7.033 9.295 1.00 0.00 C ATOM 953 O PRO A 64 0.075 -6.752 9.622 1.00 0.00 O ATOM 954 CB PRO A 64 -3.252 -7.506 10.455 1.00 0.00 C ATOM 955 CG PRO A 64 -4.594 -6.868 10.351 1.00 0.00 C ATOM 956 CD PRO A 64 -4.513 -5.855 9.251 1.00 0.00 C ATOM 0 HA PRO A 64 -1.836 -5.859 10.853 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.180 -8.383 9.812 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -3.050 -7.840 11.473 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.359 -7.613 10.134 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.869 -6.393 11.293 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.910 -6.249 8.315 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -5.087 -4.960 9.489 1.00 0.00 H new ATOM 964 N ALA A 65 -1.364 -7.875 8.307 1.00 0.00 N ATOM 965 CA ALA A 65 -0.317 -8.528 7.532 1.00 0.00 C ATOM 966 C ALA A 65 0.729 -7.522 7.064 1.00 0.00 C ATOM 967 O ALA A 65 1.900 -7.611 7.433 1.00 0.00 O ATOM 968 CB ALA A 65 -0.919 -9.260 6.342 1.00 0.00 C ATOM 0 H ALA A 65 -2.313 -8.121 8.025 1.00 0.00 H new ATOM 0 HA ALA A 65 0.179 -9.253 8.177 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.125 -9.743 5.772 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.622 -10.014 6.696 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.442 -8.548 5.704 1.00 0.00 H new ATOM 974 N VAL A 66 0.298 -6.565 6.247 1.00 0.00 N ATOM 975 CA VAL A 66 1.197 -5.542 5.728 1.00 0.00 C ATOM 976 C VAL A 66 2.221 -5.125 6.778 1.00 0.00 C ATOM 977 O VAL A 66 3.428 -5.201 6.547 1.00 0.00 O ATOM 978 CB VAL A 66 0.420 -4.296 5.263 1.00 0.00 C ATOM 979 CG1 VAL A 66 1.378 -3.221 4.773 1.00 0.00 C ATOM 980 CG2 VAL A 66 -0.578 -4.667 4.176 1.00 0.00 C ATOM 0 H VAL A 66 -0.668 -6.478 5.931 1.00 0.00 H new ATOM 0 HA VAL A 66 1.714 -5.979 4.874 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.133 -3.896 6.113 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.811 -2.349 4.449 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.050 -2.936 5.582 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.960 -3.607 3.936 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.119 -3.775 3.859 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.047 -5.092 3.324 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.284 -5.400 4.565 1.00 0.00 H new ATOM 990 N ILE A 67 1.731 -4.687 7.933 1.00 0.00 N ATOM 991 CA ILE A 67 2.604 -4.260 9.019 1.00 0.00 C ATOM 992 C ILE A 67 3.578 -5.366 9.409 1.00 0.00 C ATOM 993 O ILE A 67 4.752 -5.110 9.677 1.00 0.00 O ATOM 994 CB ILE A 67 1.794 -3.844 10.261 1.00 0.00 C ATOM 995 CG1 ILE A 67 0.921 -2.628 9.944 1.00 0.00 C ATOM 996 CG2 ILE A 67 2.726 -3.544 11.426 1.00 0.00 C ATOM 997 CD1 ILE A 67 0.021 -2.215 11.088 1.00 0.00 C ATOM 0 H ILE A 67 0.735 -4.619 8.141 1.00 0.00 H new ATOM 0 HA ILE A 67 3.163 -3.399 8.654 1.00 0.00 H new ATOM 0 HB ILE A 67 1.143 -4.671 10.545 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.564 -1.789 9.677 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.307 -2.849 9.071 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.138 -3.251 12.296 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.309 -4.434 11.664 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.399 -2.732 11.153 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.568 -1.347 10.792 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.647 -3.038 11.341 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.629 -1.962 11.956 1.00 0.00 H new ATOM 1009 N LYS A 68 3.084 -6.599 9.436 1.00 0.00 N ATOM 1010 CA LYS A 68 3.910 -7.748 9.789 1.00 0.00 C ATOM 1011 C LYS A 68 4.988 -7.987 8.737 1.00 0.00 C ATOM 1012 O LYS A 68 6.125 -8.328 9.065 1.00 0.00 O ATOM 1013 CB LYS A 68 3.043 -8.999 9.940 1.00 0.00 C ATOM 1014 CG LYS A 68 3.731 -10.131 10.684 1.00 0.00 C ATOM 1015 CD LYS A 68 2.821 -11.339 10.827 1.00 0.00 C ATOM 1016 CE LYS A 68 2.858 -12.215 9.585 1.00 0.00 C ATOM 1017 NZ LYS A 68 2.418 -13.608 9.876 1.00 0.00 N ATOM 0 H LYS A 68 2.115 -6.829 9.217 1.00 0.00 H new ATOM 0 HA LYS A 68 4.397 -7.535 10.741 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.126 -8.734 10.467 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.752 -9.350 8.950 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.638 -10.419 10.152 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.036 -9.786 11.672 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.125 -11.924 11.695 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.799 -11.006 11.009 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.215 -11.784 8.817 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.870 -12.231 9.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.457 -14.174 9.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.046 -14.028 10.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.443 -13.596 10.237 1.00 0.00 H new ATOM 1031 N TYR A 69 4.625 -7.804 7.472 1.00 0.00 N ATOM 1032 CA TYR A 69 5.561 -8.001 6.372 1.00 0.00 C ATOM 1033 C TYR A 69 6.634 -6.917 6.369 1.00 0.00 C ATOM 1034 O TYR A 69 7.812 -7.193 6.137 1.00 0.00 O ATOM 1035 CB TYR A 69 4.816 -8.001 5.035 1.00 0.00 C ATOM 1036 CG TYR A 69 5.728 -8.122 3.835 1.00 0.00 C ATOM 1037 CD1 TYR A 69 6.353 -7.004 3.297 1.00 0.00 C ATOM 1038 CD2 TYR A 69 5.963 -9.355 3.239 1.00 0.00 C ATOM 1039 CE1 TYR A 69 7.186 -7.110 2.200 1.00 0.00 C ATOM 1040 CE2 TYR A 69 6.796 -9.470 2.142 1.00 0.00 C ATOM 1041 CZ TYR A 69 7.404 -8.345 1.626 1.00 0.00 C ATOM 1042 OH TYR A 69 8.234 -8.455 0.534 1.00 0.00 O ATOM 0 H TYR A 69 3.689 -7.519 7.183 1.00 0.00 H new ATOM 0 HA TYR A 69 6.047 -8.967 6.510 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.104 -8.827 5.025 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.238 -7.081 4.950 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.185 -6.035 3.744 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.487 -10.238 3.639 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.664 -6.231 1.794 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.970 -10.436 1.691 1.00 0.00 H new ATOM 0 HH TYR A 69 8.281 -9.392 0.252 1.00 0.00 H new ATOM 1052 N LEU A 70 6.218 -5.682 6.628 1.00 0.00 N ATOM 1053 CA LEU A 70 7.143 -4.554 6.657 1.00 0.00 C ATOM 1054 C LEU A 70 8.255 -4.787 7.674 1.00 0.00 C ATOM 1055 O LEU A 70 9.439 -4.691 7.347 1.00 0.00 O ATOM 1056 CB LEU A 70 6.393 -3.263 6.991 1.00 0.00 C ATOM 1057 CG LEU A 70 5.369 -2.794 5.957 1.00 0.00 C ATOM 1058 CD1 LEU A 70 4.528 -1.658 6.516 1.00 0.00 C ATOM 1059 CD2 LEU A 70 6.066 -2.364 4.674 1.00 0.00 C ATOM 0 H LEU A 70 5.247 -5.436 6.821 1.00 0.00 H new ATOM 0 HA LEU A 70 7.594 -4.460 5.669 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.881 -3.400 7.943 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.125 -2.468 7.134 1.00 0.00 H new ATOM 0 HG LEU A 70 4.707 -3.628 5.725 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.805 -1.337 5.766 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.000 -2.000 7.406 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.175 -0.821 6.777 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.322 -2.033 3.949 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.752 -1.545 4.890 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.624 -3.206 4.263 1.00 0.00 H new ATOM 1071 N ILE A 71 7.868 -5.096 8.907 1.00 0.00 N ATOM 1072 CA ILE A 71 8.833 -5.347 9.970 1.00 0.00 C ATOM 1073 C ILE A 71 9.909 -6.327 9.516 1.00 0.00 C ATOM 1074 O ILE A 71 11.091 -6.146 9.808 1.00 0.00 O ATOM 1075 CB ILE A 71 8.147 -5.902 11.232 1.00 0.00 C ATOM 1076 CG1 ILE A 71 7.097 -4.915 11.746 1.00 0.00 C ATOM 1077 CG2 ILE A 71 9.180 -6.194 12.311 1.00 0.00 C ATOM 1078 CD1 ILE A 71 6.048 -5.553 12.629 1.00 0.00 C ATOM 0 H ILE A 71 6.893 -5.179 9.194 1.00 0.00 H new ATOM 0 HA ILE A 71 9.296 -4.390 10.209 1.00 0.00 H new ATOM 0 HB ILE A 71 7.645 -6.834 10.974 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.597 -4.123 12.304 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.606 -4.444 10.895 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.680 -6.586 13.197 1.00 0.00 H new ATOM 0 HG22 ILE A 71 9.894 -6.930 11.942 1.00 0.00 H new ATOM 0 HG23 ILE A 71 9.707 -5.275 12.568 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.337 -4.794 12.956 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.522 -6.326 12.069 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.528 -6.000 13.500 1.00 0.00 H new ATOM 1090 N SER A 72 9.491 -7.365 8.799 1.00 0.00 N ATOM 1091 CA SER A 72 10.419 -8.376 8.306 1.00 0.00 C ATOM 1092 C SER A 72 11.621 -7.726 7.628 1.00 0.00 C ATOM 1093 O SER A 72 12.770 -8.043 7.938 1.00 0.00 O ATOM 1094 CB SER A 72 9.711 -9.313 7.324 1.00 0.00 C ATOM 1095 OG SER A 72 10.567 -10.368 6.919 1.00 0.00 O ATOM 0 H SER A 72 8.516 -7.528 8.547 1.00 0.00 H new ATOM 0 HA SER A 72 10.774 -8.955 9.159 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.816 -9.725 7.790 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.384 -8.750 6.450 1.00 0.00 H new ATOM 0 HG SER A 72 10.091 -10.953 6.293 1.00 0.00 H new ATOM 1101 N HIS A 73 11.348 -6.813 6.701 1.00 0.00 N ATOM 1102 CA HIS A 73 12.407 -6.117 5.979 1.00 0.00 C ATOM 1103 C HIS A 73 12.760 -4.802 6.668 1.00 0.00 C ATOM 1104 O HIS A 73 13.444 -3.954 6.095 1.00 0.00 O ATOM 1105 CB HIS A 73 11.978 -5.850 4.535 1.00 0.00 C ATOM 1106 CG HIS A 73 11.957 -7.079 3.680 1.00 0.00 C ATOM 1107 ND1 HIS A 73 10.925 -7.376 2.815 1.00 0.00 N ATOM 1108 CD2 HIS A 73 12.849 -8.090 3.560 1.00 0.00 C ATOM 1109 CE1 HIS A 73 11.183 -8.516 2.200 1.00 0.00 C ATOM 1110 NE2 HIS A 73 12.345 -8.970 2.634 1.00 0.00 N ATOM 0 H HIS A 73 10.403 -6.538 6.432 1.00 0.00 H new ATOM 0 HA HIS A 73 13.291 -6.755 5.976 1.00 0.00 H new ATOM 0 HB2 HIS A 73 10.985 -5.402 4.537 1.00 0.00 H new ATOM 0 HB3 HIS A 73 12.656 -5.121 4.092 1.00 0.00 H new ATOM 0 HD2 HIS A 73 13.783 -8.187 4.093 1.00 0.00 H new ATOM 0 HE1 HIS A 73 10.551 -8.995 1.467 1.00 0.00 H new ATOM 0 HE2 HIS A 73 12.795 -9.834 2.331 1.00 0.00 H new ATOM 1118 N SER A 74 12.290 -4.641 7.901 1.00 0.00 N ATOM 1119 CA SER A 74 12.553 -3.428 8.666 1.00 0.00 C ATOM 1120 C SER A 74 12.083 -2.192 7.905 1.00 0.00 C ATOM 1121 O SER A 74 12.732 -1.146 7.934 1.00 0.00 O ATOM 1122 CB SER A 74 14.046 -3.310 8.979 1.00 0.00 C ATOM 1123 OG SER A 74 14.432 -4.237 9.980 1.00 0.00 O ATOM 0 H SER A 74 11.726 -5.335 8.391 1.00 0.00 H new ATOM 0 HA SER A 74 11.996 -3.491 9.601 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.626 -3.486 8.073 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.272 -2.297 9.311 1.00 0.00 H new ATOM 0 HG SER A 74 15.391 -4.143 10.161 1.00 0.00 H new ATOM 1129 N PHE A 75 10.949 -2.321 7.223 1.00 0.00 N ATOM 1130 CA PHE A 75 10.391 -1.216 6.452 1.00 0.00 C ATOM 1131 C PHE A 75 9.767 -0.171 7.373 1.00 0.00 C ATOM 1132 O PHE A 75 8.727 -0.410 7.986 1.00 0.00 O ATOM 1133 CB PHE A 75 9.342 -1.733 5.466 1.00 0.00 C ATOM 1134 CG PHE A 75 9.918 -2.149 4.142 1.00 0.00 C ATOM 1135 CD1 PHE A 75 10.709 -1.277 3.411 1.00 0.00 C ATOM 1136 CD2 PHE A 75 9.669 -3.412 3.629 1.00 0.00 C ATOM 1137 CE1 PHE A 75 11.239 -1.657 2.193 1.00 0.00 C ATOM 1138 CE2 PHE A 75 10.197 -3.798 2.412 1.00 0.00 C ATOM 1139 CZ PHE A 75 10.984 -2.920 1.693 1.00 0.00 C ATOM 0 H PHE A 75 10.399 -3.179 7.189 1.00 0.00 H new ATOM 0 HA PHE A 75 11.203 -0.747 5.896 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.824 -2.583 5.911 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.596 -0.956 5.301 1.00 0.00 H new ATOM 0 HD1 PHE A 75 10.913 -0.290 3.798 1.00 0.00 H new ATOM 0 HD2 PHE A 75 9.055 -4.103 4.187 1.00 0.00 H new ATOM 0 HE1 PHE A 75 11.852 -0.967 1.632 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.995 -4.785 2.023 1.00 0.00 H new ATOM 0 HZ PHE A 75 11.399 -3.220 0.742 1.00 0.00 H new ATOM 1149 N ARG A 76 10.412 0.988 7.465 1.00 0.00 N ATOM 1150 CA ARG A 76 9.923 2.069 8.311 1.00 0.00 C ATOM 1151 C ARG A 76 8.582 2.593 7.804 1.00 0.00 C ATOM 1152 O ARG A 76 8.353 2.676 6.597 1.00 0.00 O ATOM 1153 CB ARG A 76 10.942 3.209 8.359 1.00 0.00 C ATOM 1154 CG ARG A 76 10.797 4.105 9.579 1.00 0.00 C ATOM 1155 CD ARG A 76 11.324 3.427 10.834 1.00 0.00 C ATOM 1156 NE ARG A 76 11.070 4.221 12.033 1.00 0.00 N ATOM 1157 CZ ARG A 76 9.954 4.135 12.749 1.00 0.00 C ATOM 1158 NH1 ARG A 76 8.995 3.293 12.390 1.00 0.00 N ATOM 1159 NH2 ARG A 76 9.797 4.891 13.828 1.00 0.00 N ATOM 0 H ARG A 76 11.274 1.202 6.964 1.00 0.00 H new ATOM 0 HA ARG A 76 9.782 1.673 9.317 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.947 2.787 8.346 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.839 3.815 7.459 1.00 0.00 H new ATOM 0 HG2 ARG A 76 11.337 5.037 9.413 1.00 0.00 H new ATOM 0 HG3 ARG A 76 9.748 4.365 9.718 1.00 0.00 H new ATOM 0 HD2 ARG A 76 10.856 2.449 10.941 1.00 0.00 H new ATOM 0 HD3 ARG A 76 12.396 3.258 10.732 1.00 0.00 H new ATOM 0 HE ARG A 76 11.789 4.878 12.338 1.00 0.00 H new ATOM 0 HH11 ARG A 76 9.113 2.709 11.562 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.139 3.229 12.942 1.00 0.00 H new ATOM 0 HH21 ARG A 76 10.533 5.539 14.108 1.00 0.00 H new ATOM 0 HH22 ARG A 76 8.940 4.824 14.377 1.00 0.00 H new ATOM 1173 N PHE A 77 7.700 2.944 8.734 1.00 0.00 N ATOM 1174 CA PHE A 77 6.382 3.458 8.382 1.00 0.00 C ATOM 1175 C PHE A 77 5.798 4.287 9.522 1.00 0.00 C ATOM 1176 O PHE A 77 6.251 4.197 10.664 1.00 0.00 O ATOM 1177 CB PHE A 77 5.436 2.305 8.039 1.00 0.00 C ATOM 1178 CG PHE A 77 5.257 1.323 9.161 1.00 0.00 C ATOM 1179 CD1 PHE A 77 6.340 0.622 9.666 1.00 0.00 C ATOM 1180 CD2 PHE A 77 4.005 1.101 9.711 1.00 0.00 C ATOM 1181 CE1 PHE A 77 6.178 -0.282 10.699 1.00 0.00 C ATOM 1182 CE2 PHE A 77 3.837 0.198 10.745 1.00 0.00 C ATOM 1183 CZ PHE A 77 4.925 -0.495 11.238 1.00 0.00 C ATOM 0 H PHE A 77 7.874 2.882 9.737 1.00 0.00 H new ATOM 0 HA PHE A 77 6.493 4.101 7.509 1.00 0.00 H new ATOM 0 HB2 PHE A 77 4.463 2.713 7.765 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.819 1.779 7.164 1.00 0.00 H new ATOM 0 HD1 PHE A 77 7.322 0.784 9.248 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.151 1.639 9.328 1.00 0.00 H new ATOM 0 HE1 PHE A 77 7.031 -0.821 11.084 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.856 0.035 11.166 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.796 -1.202 12.044 1.00 0.00 H new ATOM 1193 N SER A 78 4.791 5.094 9.205 1.00 0.00 N ATOM 1194 CA SER A 78 4.148 5.942 10.201 1.00 0.00 C ATOM 1195 C SER A 78 2.632 5.930 10.028 1.00 0.00 C ATOM 1196 O SER A 78 2.104 6.459 9.050 1.00 0.00 O ATOM 1197 CB SER A 78 4.673 7.376 10.096 1.00 0.00 C ATOM 1198 OG SER A 78 3.947 8.248 10.946 1.00 0.00 O ATOM 0 H SER A 78 4.403 5.178 8.266 1.00 0.00 H new ATOM 0 HA SER A 78 4.387 5.546 11.188 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.730 7.400 10.362 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.596 7.720 9.065 1.00 0.00 H new ATOM 0 HG SER A 78 4.302 9.157 10.862 1.00 0.00 H new ATOM 1204 N GLU A 79 1.939 5.322 10.985 1.00 0.00 N ATOM 1205 CA GLU A 79 0.483 5.240 10.939 1.00 0.00 C ATOM 1206 C GLU A 79 -0.149 6.582 11.294 1.00 0.00 C ATOM 1207 O GLU A 79 -0.198 6.967 12.463 1.00 0.00 O ATOM 1208 CB GLU A 79 -0.019 4.157 11.896 1.00 0.00 C ATOM 1209 CG GLU A 79 -1.312 3.498 11.445 1.00 0.00 C ATOM 1210 CD GLU A 79 -2.098 2.905 12.599 1.00 0.00 C ATOM 1211 OE1 GLU A 79 -1.788 1.766 13.005 1.00 0.00 O ATOM 1212 OE2 GLU A 79 -3.023 3.582 13.095 1.00 0.00 O ATOM 0 H GLU A 79 2.361 4.879 11.801 1.00 0.00 H new ATOM 0 HA GLU A 79 0.191 4.979 9.922 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.751 3.393 12.002 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.170 4.597 12.882 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.930 4.233 10.929 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.083 2.713 10.725 1.00 0.00 H new ATOM 1219 N ILE A 80 -0.632 7.290 10.278 1.00 0.00 N ATOM 1220 CA ILE A 80 -1.261 8.588 10.483 1.00 0.00 C ATOM 1221 C ILE A 80 -2.782 8.473 10.451 1.00 0.00 C ATOM 1222 O ILE A 80 -3.490 9.294 11.034 1.00 0.00 O ATOM 1223 CB ILE A 80 -0.812 9.606 9.418 1.00 0.00 C ATOM 1224 CG1 ILE A 80 -1.223 9.131 8.023 1.00 0.00 C ATOM 1225 CG2 ILE A 80 0.693 9.818 9.490 1.00 0.00 C ATOM 1226 CD1 ILE A 80 -1.208 10.229 6.983 1.00 0.00 C ATOM 0 H ILE A 80 -0.599 6.986 9.305 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.946 8.940 11.465 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.303 10.559 9.616 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.551 8.333 7.707 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.224 8.703 8.074 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.995 10.540 8.731 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.960 10.195 10.477 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.203 8.871 9.313 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.510 9.821 6.018 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.901 11.017 7.276 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.202 10.641 6.904 1.00 0.00 H new ATOM 1238 N LYS A 81 -3.277 7.447 9.768 1.00 0.00 N ATOM 1239 CA LYS A 81 -4.714 7.221 9.662 1.00 0.00 C ATOM 1240 C LYS A 81 -5.055 5.757 9.921 1.00 0.00 C ATOM 1241 O LYS A 81 -4.239 4.858 9.713 1.00 0.00 O ATOM 1242 CB LYS A 81 -5.215 7.634 8.276 1.00 0.00 C ATOM 1243 CG LYS A 81 -4.931 9.087 7.935 1.00 0.00 C ATOM 1244 CD LYS A 81 -6.096 9.986 8.314 1.00 0.00 C ATOM 1245 CE LYS A 81 -6.191 11.193 7.392 1.00 0.00 C ATOM 1246 NZ LYS A 81 -6.925 12.321 8.029 1.00 0.00 N ATOM 0 H LYS A 81 -2.705 6.758 9.279 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.209 7.831 10.418 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -4.749 6.996 7.525 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.290 7.460 8.220 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.032 9.415 8.457 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -4.731 9.179 6.867 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.025 9.418 8.269 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.978 10.322 9.344 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.188 11.521 7.118 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.696 10.906 6.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -6.968 13.124 7.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -7.890 12.016 8.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -6.430 12.612 8.896 1.00 0.00 H new ATOM 1260 N PRO A 82 -6.288 5.508 10.386 1.00 0.00 N ATOM 1261 CA PRO A 82 -6.765 4.154 10.681 1.00 0.00 C ATOM 1262 C PRO A 82 -6.967 3.322 9.419 1.00 0.00 C ATOM 1263 O PRO A 82 -7.425 2.182 9.482 1.00 0.00 O ATOM 1264 CB PRO A 82 -8.104 4.395 11.383 1.00 0.00 C ATOM 1265 CG PRO A 82 -8.560 5.723 10.883 1.00 0.00 C ATOM 1266 CD PRO A 82 -7.313 6.531 10.657 1.00 0.00 C ATOM 0 HA PRO A 82 -6.049 3.591 11.280 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -8.824 3.613 11.142 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -7.988 4.399 12.467 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -9.129 5.618 9.960 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -9.214 6.209 11.607 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -7.426 7.219 9.819 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -7.060 7.132 11.530 1.00 0.00 H new ATOM 1274 N GLY A 83 -6.621 3.901 8.273 1.00 0.00 N ATOM 1275 CA GLY A 83 -6.772 3.198 7.012 1.00 0.00 C ATOM 1276 C GLY A 83 -5.741 3.622 5.985 1.00 0.00 C ATOM 1277 O GLY A 83 -6.012 3.616 4.784 1.00 0.00 O ATOM 0 H GLY A 83 -6.239 4.844 8.195 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.688 2.125 7.185 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.771 3.379 6.616 1.00 0.00 H new ATOM 1281 N CYS A 84 -4.556 3.992 6.457 1.00 0.00 N ATOM 1282 CA CYS A 84 -3.481 4.424 5.571 1.00 0.00 C ATOM 1283 C CYS A 84 -2.117 4.117 6.181 1.00 0.00 C ATOM 1284 O CYS A 84 -1.941 4.180 7.399 1.00 0.00 O ATOM 1285 CB CYS A 84 -3.599 5.921 5.284 1.00 0.00 C ATOM 1286 SG CYS A 84 -2.792 6.445 3.753 1.00 0.00 S ATOM 0 H CYS A 84 -4.315 4.002 7.448 1.00 0.00 H new ATOM 0 HA CYS A 84 -3.572 3.874 4.635 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.655 6.189 5.236 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -3.167 6.475 6.118 1.00 0.00 H new ATOM 0 HG CYS A 84 -2.948 7.726 3.596 1.00 0.00 H new ATOM 1292 N LEU A 85 -1.155 3.783 5.328 1.00 0.00 N ATOM 1293 CA LEU A 85 0.194 3.464 5.783 1.00 0.00 C ATOM 1294 C LEU A 85 1.240 4.131 4.895 1.00 0.00 C ATOM 1295 O LEU A 85 1.256 3.934 3.680 1.00 0.00 O ATOM 1296 CB LEU A 85 0.407 1.950 5.790 1.00 0.00 C ATOM 1297 CG LEU A 85 -0.507 1.148 6.718 1.00 0.00 C ATOM 1298 CD1 LEU A 85 -0.342 -0.343 6.473 1.00 0.00 C ATOM 1299 CD2 LEU A 85 -0.218 1.487 8.174 1.00 0.00 C ATOM 0 H LEU A 85 -1.284 3.726 4.318 1.00 0.00 H new ATOM 0 HA LEU A 85 0.308 3.846 6.798 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.274 1.580 4.773 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.441 1.750 6.070 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.540 1.418 6.501 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.000 -0.897 7.142 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.600 -0.573 5.439 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.692 -0.630 6.662 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.877 0.907 8.820 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.820 1.246 8.405 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.389 2.550 8.341 1.00 0.00 H new ATOM 1311 N LYS A 86 2.114 4.921 5.510 1.00 0.00 N ATOM 1312 CA LYS A 86 3.166 5.615 4.778 1.00 0.00 C ATOM 1313 C LYS A 86 4.508 4.910 4.953 1.00 0.00 C ATOM 1314 O LYS A 86 5.144 5.016 6.002 1.00 0.00 O ATOM 1315 CB LYS A 86 3.275 7.066 5.252 1.00 0.00 C ATOM 1316 CG LYS A 86 3.989 7.976 4.268 1.00 0.00 C ATOM 1317 CD LYS A 86 5.486 8.010 4.524 1.00 0.00 C ATOM 1318 CE LYS A 86 5.846 9.036 5.587 1.00 0.00 C ATOM 1319 NZ LYS A 86 5.813 8.451 6.957 1.00 0.00 N ATOM 0 H LYS A 86 2.114 5.096 6.515 1.00 0.00 H new ATOM 0 HA LYS A 86 2.905 5.604 3.720 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.274 7.456 5.434 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.804 7.089 6.205 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.801 7.632 3.251 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.583 8.985 4.344 1.00 0.00 H new ATOM 0 HD2 LYS A 86 5.825 7.023 4.840 1.00 0.00 H new ATOM 0 HD3 LYS A 86 6.009 8.245 3.597 1.00 0.00 H new ATOM 0 HE2 LYS A 86 6.841 9.434 5.386 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.151 9.874 5.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 6.681 8.712 7.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.986 8.817 7.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 5.749 7.415 6.891 1.00 0.00 H new ATOM 1333 N VAL A 87 4.933 4.191 3.919 1.00 0.00 N ATOM 1334 CA VAL A 87 6.200 3.470 3.958 1.00 0.00 C ATOM 1335 C VAL A 87 7.282 4.219 3.189 1.00 0.00 C ATOM 1336 O VAL A 87 7.025 4.777 2.122 1.00 0.00 O ATOM 1337 CB VAL A 87 6.057 2.052 3.374 1.00 0.00 C ATOM 1338 CG1 VAL A 87 7.381 1.307 3.451 1.00 0.00 C ATOM 1339 CG2 VAL A 87 4.962 1.285 4.099 1.00 0.00 C ATOM 0 H VAL A 87 4.418 4.092 3.044 1.00 0.00 H new ATOM 0 HA VAL A 87 6.490 3.395 5.006 1.00 0.00 H new ATOM 0 HB VAL A 87 5.775 2.137 2.324 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.261 0.307 3.034 1.00 0.00 H new ATOM 0 HG12 VAL A 87 8.137 1.849 2.883 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.695 1.230 4.492 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.875 0.285 3.673 1.00 0.00 H new ATOM 0 HG22 VAL A 87 5.211 1.208 5.157 1.00 0.00 H new ATOM 0 HG23 VAL A 87 4.014 1.811 3.987 1.00 0.00 H new ATOM 1349 N MET A 88 8.493 4.226 3.736 1.00 0.00 N ATOM 1350 CA MET A 88 9.615 4.905 3.100 1.00 0.00 C ATOM 1351 C MET A 88 10.382 3.952 2.189 1.00 0.00 C ATOM 1352 O MET A 88 11.093 3.063 2.662 1.00 0.00 O ATOM 1353 CB MET A 88 10.555 5.485 4.158 1.00 0.00 C ATOM 1354 CG MET A 88 10.038 6.765 4.795 1.00 0.00 C ATOM 1355 SD MET A 88 10.454 8.235 3.838 1.00 0.00 S ATOM 1356 CE MET A 88 9.188 9.372 4.396 1.00 0.00 C ATOM 0 H MET A 88 8.722 3.769 4.619 1.00 0.00 H new ATOM 0 HA MET A 88 9.217 5.718 2.493 1.00 0.00 H new ATOM 0 HB2 MET A 88 10.715 4.740 4.937 1.00 0.00 H new ATOM 0 HB3 MET A 88 11.525 5.682 3.701 1.00 0.00 H new ATOM 0 HG2 MET A 88 8.955 6.701 4.903 1.00 0.00 H new ATOM 0 HG3 MET A 88 10.453 6.860 5.798 1.00 0.00 H new ATOM 0 HE1 MET A 88 9.531 10.397 4.253 1.00 0.00 H new ATOM 0 HE2 MET A 88 8.276 9.211 3.822 1.00 0.00 H new ATOM 0 HE3 MET A 88 8.986 9.201 5.453 1.00 0.00 H new ATOM 1366 N LEU A 89 10.234 4.141 0.883 1.00 0.00 N ATOM 1367 CA LEU A 89 10.913 3.297 -0.094 1.00 0.00 C ATOM 1368 C LEU A 89 12.427 3.415 0.042 1.00 0.00 C ATOM 1369 O LEU A 89 12.968 4.517 0.143 1.00 0.00 O ATOM 1370 CB LEU A 89 10.486 3.679 -1.512 1.00 0.00 C ATOM 1371 CG LEU A 89 8.984 3.629 -1.798 1.00 0.00 C ATOM 1372 CD1 LEU A 89 8.678 4.246 -3.154 1.00 0.00 C ATOM 1373 CD2 LEU A 89 8.478 2.195 -1.735 1.00 0.00 C ATOM 0 H LEU A 89 9.650 4.871 0.476 1.00 0.00 H new ATOM 0 HA LEU A 89 10.629 2.262 0.098 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.841 4.689 -1.717 1.00 0.00 H new ATOM 0 HB3 LEU A 89 10.991 3.015 -2.213 1.00 0.00 H new ATOM 0 HG LEU A 89 8.468 4.210 -1.034 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.605 4.201 -3.340 1.00 0.00 H new ATOM 0 HD12 LEU A 89 9.005 5.286 -3.163 1.00 0.00 H new ATOM 0 HD13 LEU A 89 9.204 3.694 -3.932 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.408 2.177 -1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.000 1.592 -2.478 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.663 1.787 -0.741 1.00 0.00 H new ATOM 1385 N LYS A 90 13.107 2.274 0.044 1.00 0.00 N ATOM 1386 CA LYS A 90 14.560 2.249 0.165 1.00 0.00 C ATOM 1387 C LYS A 90 15.219 2.866 -1.065 1.00 0.00 C ATOM 1388 O LYS A 90 15.083 2.354 -2.176 1.00 0.00 O ATOM 1389 CB LYS A 90 15.052 0.812 0.353 1.00 0.00 C ATOM 1390 CG LYS A 90 14.474 0.126 1.578 1.00 0.00 C ATOM 1391 CD LYS A 90 14.629 -1.383 1.499 1.00 0.00 C ATOM 1392 CE LYS A 90 14.414 -2.038 2.855 1.00 0.00 C ATOM 1393 NZ LYS A 90 14.770 -3.484 2.835 1.00 0.00 N ATOM 0 H LYS A 90 12.675 1.354 -0.037 1.00 0.00 H new ATOM 0 HA LYS A 90 14.837 2.839 1.039 1.00 0.00 H new ATOM 0 HB2 LYS A 90 14.796 0.231 -0.533 1.00 0.00 H new ATOM 0 HB3 LYS A 90 16.139 0.816 0.429 1.00 0.00 H new ATOM 0 HG2 LYS A 90 14.973 0.497 2.473 1.00 0.00 H new ATOM 0 HG3 LYS A 90 13.418 0.379 1.673 1.00 0.00 H new ATOM 0 HD2 LYS A 90 13.914 -1.786 0.782 1.00 0.00 H new ATOM 0 HD3 LYS A 90 15.624 -1.629 1.129 1.00 0.00 H new ATOM 0 HE2 LYS A 90 15.016 -1.526 3.605 1.00 0.00 H new ATOM 0 HE3 LYS A 90 13.371 -1.925 3.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 14.610 -3.894 3.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 14.178 -3.978 2.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 15.772 -3.591 2.577 1.00 0.00 H new ATOM 1407 N SER A 91 15.934 3.967 -0.857 1.00 0.00 N ATOM 1408 CA SER A 91 16.613 4.655 -1.949 1.00 0.00 C ATOM 1409 C SER A 91 18.013 4.088 -2.162 1.00 0.00 C ATOM 1410 O SER A 91 18.425 3.828 -3.292 1.00 0.00 O ATOM 1411 CB SER A 91 16.696 6.155 -1.662 1.00 0.00 C ATOM 1412 OG SER A 91 17.324 6.845 -2.729 1.00 0.00 O ATOM 0 H SER A 91 16.058 4.402 0.057 1.00 0.00 H new ATOM 0 HA SER A 91 16.034 4.498 -2.859 1.00 0.00 H new ATOM 0 HB2 SER A 91 15.694 6.555 -1.506 1.00 0.00 H new ATOM 0 HB3 SER A 91 17.252 6.322 -0.740 1.00 0.00 H new ATOM 0 HG SER A 91 17.363 7.802 -2.522 1.00 0.00 H new ATOM 1418 N GLY A 92 18.741 3.899 -1.066 1.00 0.00 N ATOM 1419 CA GLY A 92 20.088 3.365 -1.152 1.00 0.00 C ATOM 1420 C GLY A 92 20.190 1.958 -0.597 1.00 0.00 C ATOM 1421 O GLY A 92 19.471 1.579 0.327 1.00 0.00 O ATOM 0 H GLY A 92 18.422 4.106 -0.120 1.00 0.00 H new ATOM 0 HA2 GLY A 92 20.410 3.366 -2.193 1.00 0.00 H new ATOM 0 HA3 GLY A 92 20.770 4.018 -0.607 1.00 0.00 H new ATOM 1425 N PRO A 93 21.101 1.157 -1.169 1.00 0.00 N ATOM 1426 CA PRO A 93 21.315 -0.229 -0.742 1.00 0.00 C ATOM 1427 C PRO A 93 21.959 -0.318 0.637 1.00 0.00 C ATOM 1428 O PRO A 93 23.179 -0.216 0.771 1.00 0.00 O ATOM 1429 CB PRO A 93 22.260 -0.787 -1.810 1.00 0.00 C ATOM 1430 CG PRO A 93 22.975 0.406 -2.344 1.00 0.00 C ATOM 1431 CD PRO A 93 21.992 1.542 -2.276 1.00 0.00 C ATOM 0 HA PRO A 93 20.377 -0.778 -0.654 1.00 0.00 H new ATOM 0 HB2 PRO A 93 22.957 -1.508 -1.384 1.00 0.00 H new ATOM 0 HB3 PRO A 93 21.709 -1.303 -2.596 1.00 0.00 H new ATOM 0 HG2 PRO A 93 23.865 0.624 -1.754 1.00 0.00 H new ATOM 0 HG3 PRO A 93 23.306 0.237 -3.369 1.00 0.00 H new ATOM 0 HD2 PRO A 93 22.489 2.492 -2.080 1.00 0.00 H new ATOM 0 HD3 PRO A 93 21.444 1.656 -3.212 1.00 0.00 H new ATOM 1439 N SER A 94 21.132 -0.509 1.660 1.00 0.00 N ATOM 1440 CA SER A 94 21.621 -0.608 3.030 1.00 0.00 C ATOM 1441 C SER A 94 22.345 -1.932 3.254 1.00 0.00 C ATOM 1442 O SER A 94 23.525 -1.956 3.606 1.00 0.00 O ATOM 1443 CB SER A 94 20.461 -0.475 4.019 1.00 0.00 C ATOM 1444 OG SER A 94 19.427 -1.396 3.719 1.00 0.00 O ATOM 0 H SER A 94 20.120 -0.598 1.566 1.00 0.00 H new ATOM 0 HA SER A 94 22.327 0.205 3.197 1.00 0.00 H new ATOM 0 HB2 SER A 94 20.822 -0.646 5.033 1.00 0.00 H new ATOM 0 HB3 SER A 94 20.067 0.541 3.988 1.00 0.00 H new ATOM 0 HG SER A 94 18.698 -1.292 4.366 1.00 0.00 H new ATOM 1450 N SER A 95 21.630 -3.033 3.047 1.00 0.00 N ATOM 1451 CA SER A 95 22.202 -4.362 3.230 1.00 0.00 C ATOM 1452 C SER A 95 22.771 -4.894 1.917 1.00 0.00 C ATOM 1453 O SER A 95 22.281 -4.566 0.837 1.00 0.00 O ATOM 1454 CB SER A 95 21.143 -5.327 3.767 1.00 0.00 C ATOM 1455 OG SER A 95 20.050 -5.435 2.872 1.00 0.00 O ATOM 0 H SER A 95 20.653 -3.031 2.752 1.00 0.00 H new ATOM 0 HA SER A 95 23.013 -4.285 3.954 1.00 0.00 H new ATOM 0 HB2 SER A 95 21.588 -6.310 3.923 1.00 0.00 H new ATOM 0 HB3 SER A 95 20.789 -4.980 4.738 1.00 0.00 H new ATOM 0 HG SER A 95 19.388 -6.059 3.238 1.00 0.00 H new ATOM 1461 N GLY A 96 23.810 -5.717 2.020 1.00 0.00 N ATOM 1462 CA GLY A 96 24.430 -6.281 0.835 1.00 0.00 C ATOM 1463 C GLY A 96 24.995 -7.666 1.080 1.00 0.00 C ATOM 1464 O GLY A 96 26.194 -7.823 1.309 1.00 0.00 O ATOM 0 H GLY A 96 24.233 -6.003 2.903 1.00 0.00 H new ATOM 0 HA2 GLY A 96 23.695 -6.329 0.032 1.00 0.00 H new ATOM 0 HA3 GLY A 96 25.229 -5.621 0.497 1.00 0.00 H new TER 1468 GLY A 96