USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 740 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 65 LYS NZ :NH3+ -165:sc= 0.28 (180deg=0.117) USER MOD Set 1.2: A 71 MET CE :methyl -160:sc= -1.89 (180deg=-3.04!) USER MOD Set 2.1: A 39 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 45 LYS NZ :NH3+ -176:sc= -0.443 (180deg=-0.505) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.481 USER MOD Single : A 28 LYS NZ :NH3+ -140:sc= 1.9 (180deg=0.0828) USER MOD Single : A 29 LYS NZ :NH3+ -142:sc= 0 (180deg=-1.17) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -1 K(o=-1,f=-4.2!) USER MOD Single : A 42 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00755) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 51 GLN : amide:sc= 0.224 X(o=0.22,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -2.25 K(o=-2.2,f=-1.1) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -144:sc= -5.96! (180deg=-6.98!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot -45:sc= 1.19 USER MOD Single : A 69 THR OG1 : rot -98:sc= 0.917 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.883 K(o=-0.88,f=-2.1!) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 170:sc= 0 USER MOD Single : A 87 SER OG : rot -51:sc= -0.0199 USER MOD Single : A 92 SER OG : rot -37:sc= 0.385 USER MOD Single : A 95 GLN : amide:sc= -1.01 X(o=-1,f=-0.59) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 175:sc= 0.113 (180deg=0.0646) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -1.47! C(o=-1.5!,f=-1.9!) USER MOD Single : A 100 GLN : amide:sc= -1.72 K(o=-1.7,f=-0.65) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 16 -12.032 -25.793 1.604 1.00 0.00 N ATOM 2 CA GLN A 16 -10.818 -25.130 1.146 1.00 0.00 C ATOM 3 C GLN A 16 -10.982 -23.614 1.183 1.00 0.00 C ATOM 4 O GLN A 16 -11.130 -22.969 0.145 1.00 0.00 O ATOM 5 CB GLN A 16 -10.468 -25.588 -0.275 1.00 0.00 C ATOM 6 CG GLN A 16 -9.377 -26.644 -0.322 1.00 0.00 C ATOM 7 CD GLN A 16 -8.029 -26.072 -0.721 1.00 0.00 C ATOM 8 OE1 GLN A 16 -7.327 -25.480 0.099 1.00 0.00 O ATOM 9 NE2 GLN A 16 -7.662 -26.246 -1.985 1.00 0.00 N ATOM 0 HA GLN A 16 -10.004 -25.404 1.818 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.365 -25.983 -0.752 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -10.151 -24.724 -0.859 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.292 -27.117 0.656 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.661 -27.423 -1.029 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.276 -26.743 -2.630 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.766 -25.883 -2.311 1.00 0.00 H new ATOM 18 N GLY A 17 -10.956 -23.052 2.388 1.00 0.00 N ATOM 19 CA GLY A 17 -11.106 -21.616 2.541 1.00 0.00 C ATOM 20 C GLY A 17 -9.881 -20.849 2.078 1.00 0.00 C ATOM 21 O GLY A 17 -8.980 -21.424 1.467 1.00 0.00 O ATOM 0 H GLY A 17 -10.834 -23.565 3.261 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -11.975 -21.283 1.974 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -11.301 -21.384 3.588 1.00 0.00 H new ATOM 25 N PRO A 18 -9.818 -19.535 2.357 1.00 0.00 N ATOM 26 CA PRO A 18 -8.682 -18.695 1.961 1.00 0.00 C ATOM 27 C PRO A 18 -7.355 -19.234 2.482 1.00 0.00 C ATOM 28 O PRO A 18 -6.464 -19.579 1.704 1.00 0.00 O ATOM 29 CB PRO A 18 -8.995 -17.339 2.600 1.00 0.00 C ATOM 30 CG PRO A 18 -10.472 -17.342 2.800 1.00 0.00 C ATOM 31 CD PRO A 18 -10.847 -18.767 3.081 1.00 0.00 C ATOM 0 HA PRO A 18 -8.568 -18.652 0.878 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.468 -17.217 3.546 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.685 -16.517 1.955 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -10.755 -16.693 3.629 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -10.987 -16.970 1.914 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -10.834 -18.984 4.149 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -11.850 -18.998 2.721 1.00 0.00 H new ATOM 39 N GLY A 19 -7.229 -19.303 3.803 1.00 0.00 N ATOM 40 CA GLY A 19 -6.006 -19.800 4.407 1.00 0.00 C ATOM 41 C GLY A 19 -4.974 -18.710 4.614 1.00 0.00 C ATOM 42 O GLY A 19 -4.810 -18.203 5.724 1.00 0.00 O ATOM 0 H GLY A 19 -7.952 -19.024 4.466 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -6.240 -20.261 5.367 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.583 -20.580 3.774 1.00 0.00 H new ATOM 46 N SER A 20 -4.278 -18.347 3.541 1.00 0.00 N ATOM 47 CA SER A 20 -3.255 -17.310 3.609 1.00 0.00 C ATOM 48 C SER A 20 -3.748 -16.012 2.971 1.00 0.00 C ATOM 49 O SER A 20 -3.290 -14.925 3.322 1.00 0.00 O ATOM 50 CB SER A 20 -1.975 -17.778 2.912 1.00 0.00 C ATOM 51 OG SER A 20 -2.250 -18.249 1.605 1.00 0.00 O ATOM 0 H SER A 20 -4.404 -18.755 2.615 1.00 0.00 H new ATOM 0 HA SER A 20 -3.040 -17.119 4.660 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.262 -16.955 2.863 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.508 -18.570 3.497 1.00 0.00 H new ATOM 0 HG SER A 20 -1.416 -18.540 1.180 1.00 0.00 H new ATOM 57 N LEU A 21 -4.681 -16.135 2.033 1.00 0.00 N ATOM 58 CA LEU A 21 -5.236 -14.974 1.345 1.00 0.00 C ATOM 59 C LEU A 21 -5.796 -13.960 2.339 1.00 0.00 C ATOM 60 O LEU A 21 -5.759 -12.753 2.098 1.00 0.00 O ATOM 61 CB LEU A 21 -6.335 -15.408 0.372 1.00 0.00 C ATOM 62 CG LEU A 21 -5.873 -16.333 -0.756 1.00 0.00 C ATOM 63 CD1 LEU A 21 -6.908 -17.415 -1.020 1.00 0.00 C ATOM 64 CD2 LEU A 21 -5.600 -15.535 -2.022 1.00 0.00 C ATOM 0 H LEU A 21 -5.070 -17.028 1.731 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.429 -14.499 0.787 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.120 -15.912 0.936 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.781 -14.517 -0.069 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.946 -16.815 -0.446 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.561 -18.062 -1.825 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.054 -18.007 -0.116 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.852 -16.953 -1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.272 -16.209 -2.813 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.511 -15.025 -2.334 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.820 -14.799 -1.827 1.00 0.00 H new ATOM 76 N VAL A 22 -6.316 -14.459 3.458 1.00 0.00 N ATOM 77 CA VAL A 22 -6.886 -13.597 4.489 1.00 0.00 C ATOM 78 C VAL A 22 -5.912 -12.492 4.891 1.00 0.00 C ATOM 79 O VAL A 22 -6.290 -11.324 4.979 1.00 0.00 O ATOM 80 CB VAL A 22 -7.284 -14.405 5.740 1.00 0.00 C ATOM 81 CG1 VAL A 22 -6.068 -15.083 6.351 1.00 0.00 C ATOM 82 CG2 VAL A 22 -7.975 -13.510 6.757 1.00 0.00 C ATOM 0 H VAL A 22 -6.354 -15.455 3.673 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.780 -13.143 4.061 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.987 -15.181 5.438 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.371 -15.648 7.233 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.624 -15.760 5.621 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.336 -14.328 6.638 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.248 -14.098 7.633 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.299 -12.708 7.055 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.873 -13.081 6.313 1.00 0.00 H new ATOM 92 N LYS A 23 -4.660 -12.864 5.131 1.00 0.00 N ATOM 93 CA LYS A 23 -3.640 -11.894 5.516 1.00 0.00 C ATOM 94 C LYS A 23 -3.408 -10.895 4.392 1.00 0.00 C ATOM 95 O LYS A 23 -3.318 -9.688 4.621 1.00 0.00 O ATOM 96 CB LYS A 23 -2.330 -12.607 5.867 1.00 0.00 C ATOM 97 CG LYS A 23 -2.007 -12.587 7.353 1.00 0.00 C ATOM 98 CD LYS A 23 -0.560 -12.973 7.613 1.00 0.00 C ATOM 99 CE LYS A 23 -0.441 -14.426 8.045 1.00 0.00 C ATOM 100 NZ LYS A 23 -0.069 -15.314 6.909 1.00 0.00 N ATOM 0 H LYS A 23 -4.327 -13.826 5.066 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.991 -11.355 6.396 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.387 -13.642 5.530 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.512 -12.138 5.319 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.197 -11.592 7.754 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.669 -13.275 7.880 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.029 -12.811 6.710 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.143 -12.327 8.386 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.308 -14.511 8.832 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.389 -14.757 8.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.002 -16.296 7.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.796 -15.253 6.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.848 -15.014 6.520 1.00 0.00 H new ATOM 114 N VAL A 24 -3.327 -11.407 3.168 1.00 0.00 N ATOM 115 CA VAL A 24 -3.121 -10.567 1.998 1.00 0.00 C ATOM 116 C VAL A 24 -4.227 -9.523 1.889 1.00 0.00 C ATOM 117 O VAL A 24 -3.965 -8.347 1.636 1.00 0.00 O ATOM 118 CB VAL A 24 -3.081 -11.403 0.706 1.00 0.00 C ATOM 119 CG1 VAL A 24 -2.659 -10.544 -0.475 1.00 0.00 C ATOM 120 CG2 VAL A 24 -2.148 -12.593 0.868 1.00 0.00 C ATOM 0 H VAL A 24 -3.401 -12.403 2.962 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.159 -10.069 2.120 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.084 -11.781 0.510 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.637 -11.153 -1.379 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.371 -9.729 -0.605 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.666 -10.133 -0.290 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.133 -13.172 -0.055 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.142 -12.239 1.091 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.500 -13.223 1.685 1.00 0.00 H new ATOM 130 N GLY A 25 -5.466 -9.962 2.096 1.00 0.00 N ATOM 131 CA GLY A 25 -6.593 -9.052 2.032 1.00 0.00 C ATOM 132 C GLY A 25 -6.500 -7.970 3.087 1.00 0.00 C ATOM 133 O GLY A 25 -6.828 -6.810 2.832 1.00 0.00 O ATOM 0 H GLY A 25 -5.708 -10.930 2.306 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.635 -8.594 1.044 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.520 -9.611 2.164 1.00 0.00 H new ATOM 137 N THR A 26 -6.035 -8.350 4.276 1.00 0.00 N ATOM 138 CA THR A 26 -5.884 -7.404 5.373 1.00 0.00 C ATOM 139 C THR A 26 -4.984 -6.250 4.949 1.00 0.00 C ATOM 140 O THR A 26 -5.303 -5.081 5.169 1.00 0.00 O ATOM 141 CB THR A 26 -5.298 -8.103 6.600 1.00 0.00 C ATOM 142 OG1 THR A 26 -5.694 -9.463 6.640 1.00 0.00 O ATOM 143 CG2 THR A 26 -5.713 -7.466 7.908 1.00 0.00 C ATOM 0 H THR A 26 -5.758 -9.305 4.501 1.00 0.00 H new ATOM 0 HA THR A 26 -6.867 -7.010 5.632 1.00 0.00 H new ATOM 0 HB THR A 26 -4.217 -8.009 6.496 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.308 -9.893 7.431 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.262 -8.011 8.737 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.378 -6.429 7.930 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.799 -7.498 8.000 1.00 0.00 H new ATOM 151 N LEU A 27 -3.864 -6.587 4.317 1.00 0.00 N ATOM 152 CA LEU A 27 -2.933 -5.575 3.840 1.00 0.00 C ATOM 153 C LEU A 27 -3.613 -4.694 2.804 1.00 0.00 C ATOM 154 O LEU A 27 -3.397 -3.484 2.767 1.00 0.00 O ATOM 155 CB LEU A 27 -1.683 -6.229 3.245 1.00 0.00 C ATOM 156 CG LEU A 27 -0.481 -5.299 3.080 1.00 0.00 C ATOM 157 CD1 LEU A 27 0.260 -5.145 4.399 1.00 0.00 C ATOM 158 CD2 LEU A 27 0.453 -5.819 1.996 1.00 0.00 C ATOM 0 H LEU A 27 -3.582 -7.548 4.125 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.625 -4.958 4.684 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.391 -7.065 3.881 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.938 -6.644 2.270 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.845 -4.318 2.776 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.112 -4.480 4.262 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.412 -4.724 5.147 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.612 -6.121 4.735 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.303 -5.144 1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.810 -6.812 2.269 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.084 -5.874 1.049 1.00 0.00 H new ATOM 170 N LYS A 28 -4.459 -5.307 1.978 1.00 0.00 N ATOM 171 CA LYS A 28 -5.193 -4.567 0.962 1.00 0.00 C ATOM 172 C LYS A 28 -5.974 -3.442 1.625 1.00 0.00 C ATOM 173 O LYS A 28 -6.058 -2.328 1.105 1.00 0.00 O ATOM 174 CB LYS A 28 -6.145 -5.494 0.202 1.00 0.00 C ATOM 175 CG LYS A 28 -6.325 -5.115 -1.260 1.00 0.00 C ATOM 176 CD LYS A 28 -5.969 -6.267 -2.187 1.00 0.00 C ATOM 177 CE LYS A 28 -5.143 -5.794 -3.373 1.00 0.00 C ATOM 178 NZ LYS A 28 -5.965 -5.036 -4.356 1.00 0.00 N ATOM 0 H LYS A 28 -4.650 -6.309 1.994 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.485 -4.147 0.247 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.768 -6.515 0.260 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.118 -5.485 0.694 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.358 -4.814 -1.434 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.699 -4.254 -1.493 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.412 -7.022 -1.633 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.882 -6.743 -2.545 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.328 -5.163 -3.019 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.690 -6.654 -3.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.680 -5.298 -5.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.970 -5.264 -4.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.820 -4.016 -4.217 1.00 0.00 H new ATOM 192 N LYS A 29 -6.522 -3.744 2.798 1.00 0.00 N ATOM 193 CA LYS A 29 -7.274 -2.761 3.564 1.00 0.00 C ATOM 194 C LYS A 29 -6.337 -1.666 4.054 1.00 0.00 C ATOM 195 O LYS A 29 -6.695 -0.489 4.072 1.00 0.00 O ATOM 196 CB LYS A 29 -7.975 -3.423 4.751 1.00 0.00 C ATOM 197 CG LYS A 29 -9.346 -3.985 4.412 1.00 0.00 C ATOM 198 CD LYS A 29 -9.307 -5.498 4.250 1.00 0.00 C ATOM 199 CE LYS A 29 -10.009 -6.202 5.399 1.00 0.00 C ATOM 200 NZ LYS A 29 -9.551 -7.611 5.550 1.00 0.00 N ATOM 0 H LYS A 29 -6.458 -4.662 3.237 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.035 -2.322 2.918 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.346 -4.228 5.131 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.079 -2.693 5.554 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.053 -3.721 5.199 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.709 -3.529 3.491 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.781 -5.776 3.308 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.271 -5.832 4.196 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.823 -5.659 6.325 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.086 -6.186 5.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.359 -8.213 5.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.144 -7.942 4.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.830 -7.663 6.297 1.00 0.00 H new ATOM 214 N ARG A 30 -5.123 -2.064 4.441 1.00 0.00 N ATOM 215 CA ARG A 30 -4.129 -1.110 4.917 1.00 0.00 C ATOM 216 C ARG A 30 -3.796 -0.104 3.818 1.00 0.00 C ATOM 217 O ARG A 30 -3.591 1.079 4.084 1.00 0.00 O ATOM 218 CB ARG A 30 -2.861 -1.842 5.367 1.00 0.00 C ATOM 219 CG ARG A 30 -2.507 -1.600 6.826 1.00 0.00 C ATOM 220 CD ARG A 30 -2.168 -2.900 7.542 1.00 0.00 C ATOM 221 NE ARG A 30 -1.066 -2.734 8.487 1.00 0.00 N ATOM 222 CZ ARG A 30 -0.802 -3.585 9.475 1.00 0.00 C ATOM 223 NH1 ARG A 30 -1.558 -4.662 9.652 1.00 0.00 N ATOM 224 NH2 ARG A 30 0.219 -3.359 10.290 1.00 0.00 N ATOM 0 H ARG A 30 -4.810 -3.035 4.433 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.542 -0.573 5.771 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.992 -2.912 5.206 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.027 -1.525 4.741 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.659 -0.918 6.887 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.343 -1.114 7.329 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.049 -3.262 8.072 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.904 -3.660 6.807 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.464 -1.917 8.383 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.346 -4.840 9.029 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.351 -5.311 10.411 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.802 -2.532 10.160 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.421 -4.012 11.047 1.00 0.00 H new ATOM 238 N LEU A 31 -3.757 -0.588 2.580 1.00 0.00 N ATOM 239 CA LEU A 31 -3.464 0.266 1.435 1.00 0.00 C ATOM 240 C LEU A 31 -4.555 1.316 1.270 1.00 0.00 C ATOM 241 O LEU A 31 -4.275 2.514 1.193 1.00 0.00 O ATOM 242 CB LEU A 31 -3.343 -0.573 0.161 1.00 0.00 C ATOM 243 CG LEU A 31 -1.915 -0.951 -0.233 1.00 0.00 C ATOM 244 CD1 LEU A 31 -1.043 0.291 -0.342 1.00 0.00 C ATOM 245 CD2 LEU A 31 -1.328 -1.931 0.772 1.00 0.00 C ATOM 0 H LEU A 31 -3.925 -1.566 2.345 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.514 0.770 1.611 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.922 -1.487 0.290 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.797 -0.022 -0.663 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.944 -1.435 -1.209 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.031 0.001 -0.623 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.453 0.958 -1.100 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.020 0.805 0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.311 -2.190 0.477 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.313 -1.473 1.761 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.939 -2.834 0.799 1.00 0.00 H new ATOM 257 N ASP A 32 -5.805 0.860 1.229 1.00 0.00 N ATOM 258 CA ASP A 32 -6.941 1.764 1.087 1.00 0.00 C ATOM 259 C ASP A 32 -6.955 2.779 2.225 1.00 0.00 C ATOM 260 O ASP A 32 -7.372 3.923 2.047 1.00 0.00 O ATOM 261 CB ASP A 32 -8.250 0.974 1.071 1.00 0.00 C ATOM 262 CG ASP A 32 -8.693 0.617 -0.334 1.00 0.00 C ATOM 263 OD1 ASP A 32 -8.257 -0.436 -0.844 1.00 0.00 O ATOM 264 OD2 ASP A 32 -9.476 1.390 -0.925 1.00 0.00 O ATOM 0 H ASP A 32 -6.055 -0.127 1.292 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.843 2.298 0.142 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.127 0.061 1.653 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.030 1.559 1.557 1.00 0.00 H new ATOM 269 N LYS A 33 -6.486 2.349 3.393 1.00 0.00 N ATOM 270 CA LYS A 33 -6.431 3.216 4.562 1.00 0.00 C ATOM 271 C LYS A 33 -5.492 4.390 4.307 1.00 0.00 C ATOM 272 O LYS A 33 -5.819 5.538 4.608 1.00 0.00 O ATOM 273 CB LYS A 33 -5.966 2.422 5.786 1.00 0.00 C ATOM 274 CG LYS A 33 -5.750 3.273 7.027 1.00 0.00 C ATOM 275 CD LYS A 33 -7.068 3.750 7.613 1.00 0.00 C ATOM 276 CE LYS A 33 -6.887 5.012 8.441 1.00 0.00 C ATOM 277 NZ LYS A 33 -8.184 5.532 8.953 1.00 0.00 N ATOM 0 H LYS A 33 -6.138 1.404 3.553 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.430 3.606 4.755 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.705 1.652 6.009 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.035 1.910 5.542 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.206 2.696 7.775 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.130 4.134 6.776 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.777 3.941 6.808 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.496 2.964 8.235 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.223 4.803 9.280 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.403 5.778 7.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.016 6.393 9.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.809 5.756 8.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.634 4.812 9.553 1.00 0.00 H new ATOM 291 N PHE A 34 -4.325 4.093 3.740 1.00 0.00 N ATOM 292 CA PHE A 34 -3.343 5.127 3.436 1.00 0.00 C ATOM 293 C PHE A 34 -3.923 6.148 2.464 1.00 0.00 C ATOM 294 O PHE A 34 -3.748 7.353 2.635 1.00 0.00 O ATOM 295 CB PHE A 34 -2.077 4.501 2.846 1.00 0.00 C ATOM 296 CG PHE A 34 -1.531 3.365 3.664 1.00 0.00 C ATOM 297 CD1 PHE A 34 -1.472 3.453 5.046 1.00 0.00 C ATOM 298 CD2 PHE A 34 -1.076 2.209 3.050 1.00 0.00 C ATOM 299 CE1 PHE A 34 -0.970 2.410 5.800 1.00 0.00 C ATOM 300 CE2 PHE A 34 -0.573 1.161 3.799 1.00 0.00 C ATOM 301 CZ PHE A 34 -0.520 1.262 5.176 1.00 0.00 C ATOM 0 H PHE A 34 -4.038 3.148 3.483 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.085 5.638 4.364 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.294 4.142 1.840 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.311 5.271 2.751 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.823 4.348 5.539 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.115 2.126 1.974 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.929 2.492 6.876 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.222 0.265 3.308 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.128 0.445 5.764 1.00 0.00 H new ATOM 311 N ASN A 35 -4.621 5.653 1.443 1.00 0.00 N ATOM 312 CA ASN A 35 -5.234 6.520 0.445 1.00 0.00 C ATOM 313 C ASN A 35 -6.189 7.511 1.104 1.00 0.00 C ATOM 314 O ASN A 35 -6.211 8.693 0.758 1.00 0.00 O ATOM 315 CB ASN A 35 -5.987 5.686 -0.594 1.00 0.00 C ATOM 316 CG ASN A 35 -5.056 5.034 -1.597 1.00 0.00 C ATOM 317 OD1 ASN A 35 -4.578 3.920 -1.385 1.00 0.00 O ATOM 318 ND2 ASN A 35 -4.793 5.730 -2.698 1.00 0.00 N ATOM 0 H ASN A 35 -4.775 4.657 1.288 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.441 7.078 -0.053 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.567 4.915 -0.086 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.697 6.323 -1.122 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.172 5.344 -3.409 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.212 6.650 -2.832 1.00 0.00 H new ATOM 325 N GLU A 36 -6.976 7.022 2.058 1.00 0.00 N ATOM 326 CA GLU A 36 -7.930 7.865 2.769 1.00 0.00 C ATOM 327 C GLU A 36 -7.216 9.014 3.470 1.00 0.00 C ATOM 328 O GLU A 36 -7.573 10.180 3.298 1.00 0.00 O ATOM 329 CB GLU A 36 -8.713 7.037 3.790 1.00 0.00 C ATOM 330 CG GLU A 36 -10.122 7.549 4.036 1.00 0.00 C ATOM 331 CD GLU A 36 -11.054 6.469 4.548 1.00 0.00 C ATOM 332 OE1 GLU A 36 -10.683 5.775 5.519 1.00 0.00 O ATOM 333 OE2 GLU A 36 -12.156 6.315 3.979 1.00 0.00 O ATOM 0 H GLU A 36 -6.971 6.047 2.356 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.626 8.281 2.040 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.766 6.005 3.444 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.168 7.030 4.734 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.087 8.365 4.757 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.522 7.960 3.109 1.00 0.00 H new ATOM 340 N VAL A 37 -6.204 8.673 4.257 1.00 0.00 N ATOM 341 CA VAL A 37 -5.430 9.672 4.984 1.00 0.00 C ATOM 342 C VAL A 37 -4.753 10.641 4.021 1.00 0.00 C ATOM 343 O VAL A 37 -4.665 11.839 4.289 1.00 0.00 O ATOM 344 CB VAL A 37 -4.360 9.016 5.875 1.00 0.00 C ATOM 345 CG1 VAL A 37 -3.698 10.055 6.767 1.00 0.00 C ATOM 346 CG2 VAL A 37 -4.969 7.897 6.706 1.00 0.00 C ATOM 0 H VAL A 37 -5.899 7.711 4.409 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.129 10.219 5.617 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.594 8.582 5.232 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.944 9.573 7.390 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.224 10.817 6.148 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.451 10.521 7.403 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.197 7.445 7.329 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.757 8.303 7.341 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.390 7.140 6.044 1.00 0.00 H new ATOM 356 N VAL A 38 -4.280 10.113 2.897 1.00 0.00 N ATOM 357 CA VAL A 38 -3.614 10.927 1.889 1.00 0.00 C ATOM 358 C VAL A 38 -4.606 11.848 1.186 1.00 0.00 C ATOM 359 O VAL A 38 -4.261 12.959 0.785 1.00 0.00 O ATOM 360 CB VAL A 38 -2.903 10.048 0.840 1.00 0.00 C ATOM 361 CG1 VAL A 38 -2.170 10.909 -0.181 1.00 0.00 C ATOM 362 CG2 VAL A 38 -1.942 9.084 1.518 1.00 0.00 C ATOM 0 H VAL A 38 -4.346 9.123 2.662 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.869 11.532 2.406 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.659 9.467 0.312 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.676 10.267 -0.911 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.884 11.556 -0.691 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.425 11.521 0.327 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.449 8.471 0.764 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.193 9.648 2.074 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.495 8.441 2.203 1.00 0.00 H new ATOM 372 N SER A 39 -5.840 11.378 1.039 1.00 0.00 N ATOM 373 CA SER A 39 -6.883 12.160 0.386 1.00 0.00 C ATOM 374 C SER A 39 -7.344 13.307 1.282 1.00 0.00 C ATOM 375 O SER A 39 -7.770 14.354 0.796 1.00 0.00 O ATOM 376 CB SER A 39 -8.075 11.267 0.032 1.00 0.00 C ATOM 377 OG SER A 39 -7.945 10.741 -1.278 1.00 0.00 O ATOM 0 H SER A 39 -6.142 10.459 1.363 1.00 0.00 H new ATOM 0 HA SER A 39 -6.467 12.580 -0.530 1.00 0.00 H new ATOM 0 HB2 SER A 39 -8.148 10.450 0.750 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.999 11.841 0.107 1.00 0.00 H new ATOM 0 HG SER A 39 -8.717 10.173 -1.480 1.00 0.00 H new ATOM 383 N ALA A 40 -7.252 13.102 2.591 1.00 0.00 N ATOM 384 CA ALA A 40 -7.657 14.118 3.555 1.00 0.00 C ATOM 385 C ALA A 40 -6.681 15.289 3.565 1.00 0.00 C ATOM 386 O ALA A 40 -7.060 16.422 3.867 1.00 0.00 O ATOM 387 CB ALA A 40 -7.770 13.511 4.945 1.00 0.00 C ATOM 0 H ALA A 40 -6.900 12.241 3.009 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.634 14.497 3.255 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.073 14.281 5.655 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.514 12.714 4.935 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.804 13.103 5.243 1.00 0.00 H new ATOM 393 N LEU A 41 -5.423 15.013 3.236 1.00 0.00 N ATOM 394 CA LEU A 41 -4.396 16.046 3.211 1.00 0.00 C ATOM 395 C LEU A 41 -4.108 16.504 1.783 1.00 0.00 C ATOM 396 O LEU A 41 -3.640 17.620 1.563 1.00 0.00 O ATOM 397 CB LEU A 41 -3.113 15.540 3.869 1.00 0.00 C ATOM 398 CG LEU A 41 -2.490 14.304 3.215 1.00 0.00 C ATOM 399 CD1 LEU A 41 -1.302 14.698 2.350 1.00 0.00 C ATOM 400 CD2 LEU A 41 -2.071 13.297 4.274 1.00 0.00 C ATOM 0 H LEU A 41 -5.091 14.082 2.983 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.769 16.901 3.774 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.378 16.345 3.862 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.325 15.311 4.913 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.239 13.838 2.575 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.873 13.806 1.894 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.632 15.382 1.569 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.549 15.188 2.967 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.630 12.424 3.792 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.338 13.753 4.940 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.944 12.991 4.850 1.00 0.00 H new ATOM 412 N LYS A 42 -4.394 15.635 0.816 1.00 0.00 N ATOM 413 CA LYS A 42 -4.166 15.957 -0.588 1.00 0.00 C ATOM 414 C LYS A 42 -2.689 16.243 -0.846 1.00 0.00 C ATOM 415 O LYS A 42 -1.843 16.004 0.015 1.00 0.00 O ATOM 416 CB LYS A 42 -5.013 17.163 -1.000 1.00 0.00 C ATOM 417 CG LYS A 42 -6.492 16.998 -0.691 1.00 0.00 C ATOM 418 CD LYS A 42 -6.926 17.887 0.464 1.00 0.00 C ATOM 419 CE LYS A 42 -8.350 17.578 0.899 1.00 0.00 C ATOM 420 NZ LYS A 42 -9.341 17.933 -0.153 1.00 0.00 N ATOM 0 H LYS A 42 -4.783 14.706 0.979 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.460 15.095 -1.187 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.640 18.051 -0.489 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.890 17.335 -2.069 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.079 17.240 -1.577 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.699 15.956 -0.447 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.249 17.748 1.306 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.854 18.933 0.167 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.435 16.517 1.135 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.578 18.127 1.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.302 17.755 0.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.243 18.939 -0.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.171 17.353 -1.000 1.00 0.00 H new ATOM 434 N ASP A 43 -2.386 16.753 -2.035 1.00 0.00 N ATOM 435 CA ASP A 43 -1.009 17.066 -2.403 1.00 0.00 C ATOM 436 C ASP A 43 -0.164 15.798 -2.463 1.00 0.00 C ATOM 437 O ASP A 43 -0.258 14.935 -1.591 1.00 0.00 O ATOM 438 CB ASP A 43 -0.403 18.056 -1.404 1.00 0.00 C ATOM 439 CG ASP A 43 0.151 19.294 -2.081 1.00 0.00 C ATOM 440 OD1 ASP A 43 1.212 19.191 -2.733 1.00 0.00 O ATOM 441 OD2 ASP A 43 -0.475 20.369 -1.959 1.00 0.00 O ATOM 0 H ASP A 43 -3.074 16.958 -2.760 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.016 17.523 -3.393 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.164 18.350 -0.681 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.393 17.563 -0.846 1.00 0.00 H new ATOM 446 N GLY A 44 0.658 15.687 -3.502 1.00 0.00 N ATOM 447 CA GLY A 44 1.501 14.517 -3.658 1.00 0.00 C ATOM 448 C GLY A 44 0.710 13.286 -4.057 1.00 0.00 C ATOM 449 O GLY A 44 1.120 12.159 -3.781 1.00 0.00 O ATOM 0 H GLY A 44 0.755 16.386 -4.238 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.261 14.718 -4.413 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.025 14.322 -2.722 1.00 0.00 H new ATOM 453 N LYS A 45 -0.427 13.506 -4.710 1.00 0.00 N ATOM 454 CA LYS A 45 -1.285 12.413 -5.151 1.00 0.00 C ATOM 455 C LYS A 45 -0.524 11.434 -6.046 1.00 0.00 C ATOM 456 O LYS A 45 -0.481 10.236 -5.767 1.00 0.00 O ATOM 457 CB LYS A 45 -2.506 12.962 -5.892 1.00 0.00 C ATOM 458 CG LYS A 45 -3.754 13.042 -5.027 1.00 0.00 C ATOM 459 CD LYS A 45 -4.149 11.675 -4.485 1.00 0.00 C ATOM 460 CE LYS A 45 -4.415 11.722 -2.989 1.00 0.00 C ATOM 461 NZ LYS A 45 -4.352 10.368 -2.371 1.00 0.00 N ATOM 0 H LYS A 45 -0.776 14.435 -4.946 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.618 11.872 -4.265 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.273 13.956 -6.273 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.712 12.330 -6.756 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.579 13.726 -4.197 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.577 13.454 -5.611 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.041 11.321 -5.003 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.355 10.958 -4.692 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.684 12.374 -2.511 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.397 12.158 -2.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.605 10.434 -1.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.019 9.734 -2.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.387 9.990 -2.461 1.00 0.00 H new ATOM 475 N PRO A 46 0.086 11.924 -7.144 1.00 0.00 N ATOM 476 CA PRO A 46 0.836 11.072 -8.070 1.00 0.00 C ATOM 477 C PRO A 46 1.899 10.241 -7.359 1.00 0.00 C ATOM 478 O PRO A 46 2.047 9.048 -7.623 1.00 0.00 O ATOM 479 CB PRO A 46 1.489 12.063 -9.045 1.00 0.00 C ATOM 480 CG PRO A 46 1.330 13.409 -8.418 1.00 0.00 C ATOM 481 CD PRO A 46 0.093 13.330 -7.573 1.00 0.00 C ATOM 0 HA PRO A 46 0.188 10.347 -8.563 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.541 11.825 -9.200 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.007 12.027 -10.022 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.200 13.662 -7.812 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.234 14.184 -9.178 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.138 14.012 -6.724 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.802 13.585 -8.140 1.00 0.00 H new ATOM 489 N GLU A 47 2.635 10.874 -6.449 1.00 0.00 N ATOM 490 CA GLU A 47 3.677 10.183 -5.699 1.00 0.00 C ATOM 491 C GLU A 47 3.080 9.042 -4.882 1.00 0.00 C ATOM 492 O GLU A 47 3.561 7.910 -4.927 1.00 0.00 O ATOM 493 CB GLU A 47 4.407 11.161 -4.776 1.00 0.00 C ATOM 494 CG GLU A 47 5.223 12.206 -5.521 1.00 0.00 C ATOM 495 CD GLU A 47 4.671 13.608 -5.349 1.00 0.00 C ATOM 496 OE1 GLU A 47 4.732 14.135 -4.219 1.00 0.00 O ATOM 497 OE2 GLU A 47 4.180 14.178 -6.346 1.00 0.00 O ATOM 0 H GLU A 47 2.529 11.861 -6.215 1.00 0.00 H new ATOM 0 HA GLU A 47 4.392 9.768 -6.409 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.676 11.665 -4.144 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.067 10.600 -4.115 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.253 12.179 -5.165 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.245 11.956 -6.582 1.00 0.00 H new ATOM 504 N VAL A 48 2.020 9.352 -4.145 1.00 0.00 N ATOM 505 CA VAL A 48 1.342 8.359 -3.322 1.00 0.00 C ATOM 506 C VAL A 48 0.796 7.229 -4.181 1.00 0.00 C ATOM 507 O VAL A 48 1.104 6.063 -3.955 1.00 0.00 O ATOM 508 CB VAL A 48 0.187 8.987 -2.519 1.00 0.00 C ATOM 509 CG1 VAL A 48 -0.355 7.999 -1.500 1.00 0.00 C ATOM 510 CG2 VAL A 48 0.640 10.274 -1.841 1.00 0.00 C ATOM 0 H VAL A 48 1.611 10.285 -4.101 1.00 0.00 H new ATOM 0 HA VAL A 48 2.080 7.962 -2.625 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.617 9.235 -3.212 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.170 8.461 -0.943 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.724 7.112 -2.014 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.440 7.714 -0.811 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.191 10.701 -1.279 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.464 10.057 -1.161 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.971 10.986 -2.597 1.00 0.00 H new ATOM 520 N ASN A 49 -0.011 7.578 -5.173 1.00 0.00 N ATOM 521 CA ASN A 49 -0.591 6.582 -6.064 1.00 0.00 C ATOM 522 C ASN A 49 0.494 5.712 -6.698 1.00 0.00 C ATOM 523 O ASN A 49 0.238 4.576 -7.085 1.00 0.00 O ATOM 524 CB ASN A 49 -1.417 7.265 -7.157 1.00 0.00 C ATOM 525 CG ASN A 49 -2.801 7.651 -6.680 1.00 0.00 C ATOM 526 OD1 ASN A 49 -3.586 6.800 -6.259 1.00 0.00 O ATOM 527 ND2 ASN A 49 -3.111 8.942 -6.742 1.00 0.00 N ATOM 0 H ASN A 49 -0.279 8.540 -5.381 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.242 5.940 -5.471 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -0.893 8.157 -7.501 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.504 6.596 -8.013 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -4.029 9.261 -6.434 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -2.430 9.613 -7.098 1.00 0.00 H new ATOM 534 N ARG A 50 1.704 6.256 -6.805 1.00 0.00 N ATOM 535 CA ARG A 50 2.821 5.526 -7.398 1.00 0.00 C ATOM 536 C ARG A 50 3.316 4.413 -6.477 1.00 0.00 C ATOM 537 O ARG A 50 3.457 3.261 -6.896 1.00 0.00 O ATOM 538 CB ARG A 50 3.970 6.485 -7.717 1.00 0.00 C ATOM 539 CG ARG A 50 5.135 5.821 -8.433 1.00 0.00 C ATOM 540 CD ARG A 50 5.741 6.734 -9.487 1.00 0.00 C ATOM 541 NE ARG A 50 7.091 7.164 -9.128 1.00 0.00 N ATOM 542 CZ ARG A 50 7.352 8.140 -8.259 1.00 0.00 C ATOM 543 NH1 ARG A 50 6.360 8.786 -7.658 1.00 0.00 N ATOM 544 NH2 ARG A 50 8.607 8.468 -7.992 1.00 0.00 N ATOM 0 H ARG A 50 1.935 7.198 -6.489 1.00 0.00 H new ATOM 0 HA ARG A 50 2.464 5.068 -8.320 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.592 7.300 -8.334 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.330 6.929 -6.789 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.900 5.546 -7.707 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.795 4.898 -8.903 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.769 6.214 -10.445 1.00 0.00 H new ATOM 0 HD3 ARG A 50 5.105 7.609 -9.618 1.00 0.00 H new ATOM 0 HE ARG A 50 7.879 6.689 -9.568 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.392 8.536 -7.860 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.566 9.532 -6.994 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.372 7.974 -8.451 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.809 9.215 -7.327 1.00 0.00 H new ATOM 558 N GLN A 51 3.569 4.758 -5.221 1.00 0.00 N ATOM 559 CA GLN A 51 4.039 3.783 -4.247 1.00 0.00 C ATOM 560 C GLN A 51 2.885 2.892 -3.829 1.00 0.00 C ATOM 561 O GLN A 51 3.005 1.668 -3.773 1.00 0.00 O ATOM 562 CB GLN A 51 4.633 4.485 -3.024 1.00 0.00 C ATOM 563 CG GLN A 51 5.947 5.195 -3.310 1.00 0.00 C ATOM 564 CD GLN A 51 6.168 6.397 -2.413 1.00 0.00 C ATOM 565 OE1 GLN A 51 6.674 6.269 -1.297 1.00 0.00 O ATOM 566 NE2 GLN A 51 5.790 7.574 -2.898 1.00 0.00 N ATOM 0 H GLN A 51 3.457 5.703 -4.854 1.00 0.00 H new ATOM 0 HA GLN A 51 4.820 3.175 -4.703 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.912 5.210 -2.646 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.791 3.750 -2.234 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.771 4.493 -3.180 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.963 5.516 -4.352 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.375 7.633 -3.828 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.915 8.419 -2.341 1.00 0.00 H new ATOM 575 N ILE A 52 1.758 3.530 -3.563 1.00 0.00 N ATOM 576 CA ILE A 52 0.550 2.836 -3.175 1.00 0.00 C ATOM 577 C ILE A 52 0.150 1.827 -4.251 1.00 0.00 C ATOM 578 O ILE A 52 -0.403 0.769 -3.951 1.00 0.00 O ATOM 579 CB ILE A 52 -0.592 3.847 -2.942 1.00 0.00 C ATOM 580 CG1 ILE A 52 -0.266 4.732 -1.728 1.00 0.00 C ATOM 581 CG2 ILE A 52 -1.916 3.128 -2.758 1.00 0.00 C ATOM 582 CD1 ILE A 52 -1.477 5.171 -0.930 1.00 0.00 C ATOM 0 H ILE A 52 1.658 4.544 -3.611 1.00 0.00 H new ATOM 0 HA ILE A 52 0.738 2.299 -2.246 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.684 4.486 -3.820 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.411 4.188 -1.069 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.268 5.618 -2.072 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.708 3.859 -2.595 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.140 2.544 -3.651 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.853 2.464 -1.896 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.156 5.791 -0.093 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.146 5.745 -1.571 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.001 4.293 -0.552 1.00 0.00 H new ATOM 594 N LYS A 53 0.448 2.161 -5.505 1.00 0.00 N ATOM 595 CA LYS A 53 0.137 1.282 -6.627 1.00 0.00 C ATOM 596 C LYS A 53 1.019 0.040 -6.590 1.00 0.00 C ATOM 597 O LYS A 53 0.521 -1.085 -6.638 1.00 0.00 O ATOM 598 CB LYS A 53 0.322 2.024 -7.957 1.00 0.00 C ATOM 599 CG LYS A 53 0.286 1.120 -9.180 1.00 0.00 C ATOM 600 CD LYS A 53 -0.075 1.896 -10.437 1.00 0.00 C ATOM 601 CE LYS A 53 0.636 1.337 -11.660 1.00 0.00 C ATOM 602 NZ LYS A 53 0.423 2.187 -12.863 1.00 0.00 N ATOM 0 H LYS A 53 0.904 3.034 -5.768 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.905 0.973 -6.543 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.459 2.778 -8.052 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.275 2.553 -7.937 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.258 0.645 -9.311 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.440 0.322 -9.023 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.153 1.858 -10.592 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.191 2.945 -10.308 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.704 1.259 -11.455 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.275 0.328 -11.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.924 1.772 -13.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.594 2.241 -13.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.790 3.143 -12.682 1.00 0.00 H new ATOM 616 N ASN A 54 2.331 0.246 -6.506 1.00 0.00 N ATOM 617 CA ASN A 54 3.276 -0.870 -6.464 1.00 0.00 C ATOM 618 C ASN A 54 2.873 -1.879 -5.394 1.00 0.00 C ATOM 619 O ASN A 54 2.977 -3.088 -5.598 1.00 0.00 O ATOM 620 CB ASN A 54 4.693 -0.364 -6.194 1.00 0.00 C ATOM 621 CG ASN A 54 5.052 0.841 -7.042 1.00 0.00 C ATOM 622 OD1 ASN A 54 4.745 0.892 -8.233 1.00 0.00 O ATOM 623 ND2 ASN A 54 5.708 1.821 -6.428 1.00 0.00 N ATOM 0 H ASN A 54 2.763 1.169 -6.466 1.00 0.00 H new ATOM 0 HA ASN A 54 3.257 -1.364 -7.435 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.787 -0.103 -5.140 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.405 -1.166 -6.389 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.977 2.657 -6.946 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.942 1.736 -5.439 1.00 0.00 H new ATOM 630 N LEU A 55 2.405 -1.377 -4.257 1.00 0.00 N ATOM 631 CA LEU A 55 1.980 -2.241 -3.165 1.00 0.00 C ATOM 632 C LEU A 55 0.689 -2.957 -3.531 1.00 0.00 C ATOM 633 O LEU A 55 0.551 -4.160 -3.311 1.00 0.00 O ATOM 634 CB LEU A 55 1.797 -1.431 -1.879 1.00 0.00 C ATOM 635 CG LEU A 55 3.089 -1.005 -1.170 1.00 0.00 C ATOM 636 CD1 LEU A 55 3.462 -2.011 -0.093 1.00 0.00 C ATOM 637 CD2 LEU A 55 4.234 -0.841 -2.162 1.00 0.00 C ATOM 0 H LEU A 55 2.311 -0.379 -4.069 1.00 0.00 H new ATOM 0 HA LEU A 55 2.755 -2.988 -2.992 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.222 -0.536 -2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.200 -2.020 -1.183 1.00 0.00 H new ATOM 0 HG LEU A 55 2.909 -0.038 -0.700 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.381 -1.693 0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.659 -2.072 0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.614 -2.990 -0.547 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.136 -0.539 -1.630 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.413 -1.788 -2.671 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.973 -0.079 -2.896 1.00 0.00 H new ATOM 649 N GLU A 56 -0.248 -2.219 -4.117 1.00 0.00 N ATOM 650 CA GLU A 56 -1.513 -2.804 -4.541 1.00 0.00 C ATOM 651 C GLU A 56 -1.231 -3.958 -5.494 1.00 0.00 C ATOM 652 O GLU A 56 -1.915 -4.981 -5.482 1.00 0.00 O ATOM 653 CB GLU A 56 -2.393 -1.753 -5.223 1.00 0.00 C ATOM 654 CG GLU A 56 -3.531 -1.255 -4.349 1.00 0.00 C ATOM 655 CD GLU A 56 -4.897 -1.608 -4.909 1.00 0.00 C ATOM 656 OE1 GLU A 56 -5.112 -1.399 -6.120 1.00 0.00 O ATOM 657 OE2 GLU A 56 -5.749 -2.091 -4.135 1.00 0.00 O ATOM 0 H GLU A 56 -0.156 -1.221 -4.308 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.049 -3.174 -3.667 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.773 -0.906 -5.515 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.807 -2.176 -6.138 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.431 -1.682 -3.351 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.455 -0.173 -4.242 1.00 0.00 H new ATOM 664 N ILE A 57 -0.191 -3.779 -6.303 1.00 0.00 N ATOM 665 CA ILE A 57 0.233 -4.790 -7.254 1.00 0.00 C ATOM 666 C ILE A 57 0.863 -5.969 -6.526 1.00 0.00 C ATOM 667 O ILE A 57 0.598 -7.127 -6.850 1.00 0.00 O ATOM 668 CB ILE A 57 1.254 -4.205 -8.246 1.00 0.00 C ATOM 669 CG1 ILE A 57 0.684 -2.949 -8.899 1.00 0.00 C ATOM 670 CG2 ILE A 57 1.639 -5.230 -9.298 1.00 0.00 C ATOM 671 CD1 ILE A 57 1.740 -1.937 -9.276 1.00 0.00 C ATOM 0 H ILE A 57 0.376 -2.932 -6.315 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.646 -5.128 -7.802 1.00 0.00 H new ATOM 0 HB ILE A 57 2.157 -3.937 -7.697 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.128 -3.233 -9.793 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.027 -2.484 -8.216 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.361 -4.791 -9.986 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.082 -6.100 -8.813 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.751 -5.536 -9.851 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.265 -1.070 -9.735 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.280 -1.625 -8.382 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.438 -2.385 -9.983 1.00 0.00 H new ATOM 683 N SER A 58 1.691 -5.664 -5.528 1.00 0.00 N ATOM 684 CA SER A 58 2.351 -6.703 -4.744 1.00 0.00 C ATOM 685 C SER A 58 1.317 -7.607 -4.082 1.00 0.00 C ATOM 686 O SER A 58 1.392 -8.834 -4.178 1.00 0.00 O ATOM 687 CB SER A 58 3.255 -6.075 -3.682 1.00 0.00 C ATOM 688 OG SER A 58 4.584 -5.945 -4.156 1.00 0.00 O ATOM 0 H SER A 58 1.919 -4.711 -5.245 1.00 0.00 H new ATOM 0 HA SER A 58 2.964 -7.305 -5.416 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.867 -5.095 -3.403 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.245 -6.690 -2.782 1.00 0.00 H new ATOM 0 HG SER A 58 5.142 -5.540 -3.459 1.00 0.00 H new ATOM 694 N ILE A 59 0.344 -6.991 -3.417 1.00 0.00 N ATOM 695 CA ILE A 59 -0.715 -7.734 -2.745 1.00 0.00 C ATOM 696 C ILE A 59 -1.504 -8.568 -3.749 1.00 0.00 C ATOM 697 O ILE A 59 -1.659 -9.780 -3.583 1.00 0.00 O ATOM 698 CB ILE A 59 -1.679 -6.784 -2.003 1.00 0.00 C ATOM 699 CG1 ILE A 59 -0.902 -5.889 -1.034 1.00 0.00 C ATOM 700 CG2 ILE A 59 -2.745 -7.574 -1.259 1.00 0.00 C ATOM 701 CD1 ILE A 59 -1.655 -4.638 -0.633 1.00 0.00 C ATOM 0 H ILE A 59 0.268 -5.978 -3.330 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.242 -8.393 -2.017 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.175 -6.152 -2.740 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.660 -6.461 -0.138 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.043 -5.603 -1.495 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.414 -6.886 -0.743 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.317 -8.172 -1.969 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.269 -8.232 -0.531 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.046 -4.051 0.054 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.874 -4.045 -1.521 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.588 -4.916 -0.143 1.00 0.00 H new ATOM 713 N ASP A 60 -1.995 -7.910 -4.796 1.00 0.00 N ATOM 714 CA ASP A 60 -2.760 -8.589 -5.832 1.00 0.00 C ATOM 715 C ASP A 60 -1.928 -9.695 -6.472 1.00 0.00 C ATOM 716 O ASP A 60 -2.454 -10.743 -6.845 1.00 0.00 O ATOM 717 CB ASP A 60 -3.218 -7.589 -6.898 1.00 0.00 C ATOM 718 CG ASP A 60 -4.697 -7.272 -6.795 1.00 0.00 C ATOM 719 OD1 ASP A 60 -5.509 -8.222 -6.783 1.00 0.00 O ATOM 720 OD2 ASP A 60 -5.045 -6.075 -6.727 1.00 0.00 O ATOM 0 H ASP A 60 -1.876 -6.908 -4.947 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.640 -9.038 -5.371 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.644 -6.668 -6.799 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.004 -7.993 -7.887 1.00 0.00 H new ATOM 725 N ALA A 61 -0.624 -9.457 -6.588 1.00 0.00 N ATOM 726 CA ALA A 61 0.276 -10.443 -7.174 1.00 0.00 C ATOM 727 C ALA A 61 0.197 -11.753 -6.403 1.00 0.00 C ATOM 728 O ALA A 61 0.018 -12.822 -6.989 1.00 0.00 O ATOM 729 CB ALA A 61 1.704 -9.915 -7.185 1.00 0.00 C ATOM 0 H ALA A 61 -0.170 -8.595 -6.286 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.031 -10.629 -8.203 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.365 -10.662 -7.625 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.749 -8.999 -7.774 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.022 -9.706 -6.164 1.00 0.00 H new ATOM 735 N LEU A 62 0.312 -11.662 -5.081 1.00 0.00 N ATOM 736 CA LEU A 62 0.236 -12.837 -4.231 1.00 0.00 C ATOM 737 C LEU A 62 -1.064 -13.585 -4.476 1.00 0.00 C ATOM 738 O LEU A 62 -1.052 -14.774 -4.782 1.00 0.00 O ATOM 739 CB LEU A 62 0.334 -12.437 -2.759 1.00 0.00 C ATOM 740 CG LEU A 62 1.741 -12.064 -2.294 1.00 0.00 C ATOM 741 CD1 LEU A 62 1.843 -10.569 -2.023 1.00 0.00 C ATOM 742 CD2 LEU A 62 2.128 -12.860 -1.057 1.00 0.00 C ATOM 0 H LEU A 62 0.458 -10.786 -4.579 1.00 0.00 H new ATOM 0 HA LEU A 62 1.072 -13.492 -4.476 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.330 -11.591 -2.581 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.030 -13.262 -2.147 1.00 0.00 H new ATOM 0 HG LEU A 62 2.439 -12.313 -3.094 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.853 -10.327 -1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.617 -10.018 -2.936 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.131 -10.291 -1.246 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.133 -12.579 -0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.424 -12.648 -0.253 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.105 -13.925 -1.288 1.00 0.00 H new ATOM 754 N MET A 63 -2.186 -12.872 -4.350 1.00 0.00 N ATOM 755 CA MET A 63 -3.508 -13.464 -4.555 1.00 0.00 C ATOM 756 C MET A 63 -3.535 -14.333 -5.806 1.00 0.00 C ATOM 757 O MET A 63 -3.827 -15.527 -5.736 1.00 0.00 O ATOM 758 CB MET A 63 -4.568 -12.366 -4.667 1.00 0.00 C ATOM 759 CG MET A 63 -5.942 -12.792 -4.173 1.00 0.00 C ATOM 760 SD MET A 63 -6.566 -11.737 -2.850 1.00 0.00 S ATOM 761 CE MET A 63 -5.151 -11.699 -1.754 1.00 0.00 C ATOM 0 H MET A 63 -2.204 -11.882 -4.106 1.00 0.00 H new ATOM 0 HA MET A 63 -3.729 -14.094 -3.694 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.240 -11.497 -4.097 1.00 0.00 H new ATOM 0 HB3 MET A 63 -4.646 -12.053 -5.708 1.00 0.00 H new ATOM 0 HG2 MET A 63 -6.644 -12.776 -5.007 1.00 0.00 H new ATOM 0 HG3 MET A 63 -5.893 -13.821 -3.818 1.00 0.00 H new ATOM 0 HE1 MET A 63 -5.493 -11.686 -0.719 1.00 0.00 H new ATOM 0 HE2 MET A 63 -4.536 -12.583 -1.923 1.00 0.00 H new ATOM 0 HE3 MET A 63 -4.561 -10.804 -1.952 1.00 0.00 H new ATOM 771 N ALA A 64 -3.214 -13.737 -6.947 1.00 0.00 N ATOM 772 CA ALA A 64 -3.191 -14.473 -8.203 1.00 0.00 C ATOM 773 C ALA A 64 -2.202 -15.634 -8.126 1.00 0.00 C ATOM 774 O ALA A 64 -2.333 -16.624 -8.845 1.00 0.00 O ATOM 775 CB ALA A 64 -2.834 -13.545 -9.355 1.00 0.00 C ATOM 0 H ALA A 64 -2.967 -12.751 -7.028 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.186 -14.881 -8.382 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.821 -14.110 -10.287 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.575 -12.749 -9.424 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.850 -13.110 -9.180 1.00 0.00 H new ATOM 781 N LYS A 65 -1.216 -15.505 -7.241 1.00 0.00 N ATOM 782 CA LYS A 65 -0.210 -16.541 -7.056 1.00 0.00 C ATOM 783 C LYS A 65 -0.732 -17.638 -6.138 1.00 0.00 C ATOM 784 O LYS A 65 -0.334 -18.795 -6.244 1.00 0.00 O ATOM 785 CB LYS A 65 1.073 -15.935 -6.479 1.00 0.00 C ATOM 786 CG LYS A 65 2.273 -16.061 -7.404 1.00 0.00 C ATOM 787 CD LYS A 65 3.564 -16.244 -6.623 1.00 0.00 C ATOM 788 CE LYS A 65 4.280 -14.919 -6.413 1.00 0.00 C ATOM 789 NZ LYS A 65 4.846 -14.806 -5.040 1.00 0.00 N ATOM 0 H LYS A 65 -1.095 -14.690 -6.640 1.00 0.00 H new ATOM 0 HA LYS A 65 0.014 -16.982 -8.027 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.901 -14.881 -6.261 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.302 -16.423 -5.532 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.129 -16.908 -8.074 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.347 -15.170 -8.028 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.345 -16.698 -5.656 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.219 -16.932 -7.157 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.081 -14.819 -7.145 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.584 -14.098 -6.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.097 -13.815 -4.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.140 -15.125 -4.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.697 -15.399 -4.965 1.00 0.00 H new ATOM 803 N ILE A 66 -1.621 -17.257 -5.229 1.00 0.00 N ATOM 804 CA ILE A 66 -2.192 -18.203 -4.280 1.00 0.00 C ATOM 805 C ILE A 66 -3.188 -19.134 -4.959 1.00 0.00 C ATOM 806 O ILE A 66 -3.312 -20.303 -4.594 1.00 0.00 O ATOM 807 CB ILE A 66 -2.904 -17.499 -3.105 1.00 0.00 C ATOM 808 CG1 ILE A 66 -2.303 -16.123 -2.831 1.00 0.00 C ATOM 809 CG2 ILE A 66 -2.829 -18.360 -1.860 1.00 0.00 C ATOM 810 CD1 ILE A 66 -0.826 -16.148 -2.490 1.00 0.00 C ATOM 0 H ILE A 66 -1.961 -16.301 -5.129 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.352 -18.777 -3.889 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.949 -17.357 -3.382 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.452 -15.493 -3.708 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.847 -15.658 -2.008 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.334 -17.854 -1.037 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.314 -19.317 -2.050 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.785 -18.528 -1.596 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.477 -15.131 -2.310 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.669 -16.750 -1.595 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.268 -16.581 -3.320 1.00 0.00 H new ATOM 822 N LYS A 67 -3.909 -18.600 -5.938 1.00 0.00 N ATOM 823 CA LYS A 67 -4.913 -19.375 -6.661 1.00 0.00 C ATOM 824 C LYS A 67 -4.312 -20.121 -7.849 1.00 0.00 C ATOM 825 O LYS A 67 -4.822 -21.167 -8.252 1.00 0.00 O ATOM 826 CB LYS A 67 -6.038 -18.456 -7.141 1.00 0.00 C ATOM 827 CG LYS A 67 -7.428 -19.032 -6.925 1.00 0.00 C ATOM 828 CD LYS A 67 -7.938 -18.744 -5.522 1.00 0.00 C ATOM 829 CE LYS A 67 -9.416 -18.393 -5.526 1.00 0.00 C ATOM 830 NZ LYS A 67 -9.722 -17.264 -4.604 1.00 0.00 N ATOM 0 H LYS A 67 -3.818 -17.633 -6.250 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.313 -20.118 -5.971 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.964 -17.502 -6.619 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.900 -18.250 -8.202 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.116 -18.610 -7.657 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.407 -20.109 -7.092 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.772 -19.615 -4.888 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.369 -17.921 -5.089 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.723 -18.129 -6.538 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.997 -19.268 -5.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.740 -17.056 -4.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.452 -17.525 -3.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.187 -16.422 -4.897 1.00 0.00 H new ATOM 844 N SER A 68 -3.237 -19.583 -8.421 1.00 0.00 N ATOM 845 CA SER A 68 -2.600 -20.213 -9.571 1.00 0.00 C ATOM 846 C SER A 68 -1.345 -20.984 -9.177 1.00 0.00 C ATOM 847 O SER A 68 -0.516 -21.314 -10.025 1.00 0.00 O ATOM 848 CB SER A 68 -2.259 -19.166 -10.634 1.00 0.00 C ATOM 849 OG SER A 68 -1.634 -19.764 -11.757 1.00 0.00 O ATOM 0 H SER A 68 -2.793 -18.719 -8.109 1.00 0.00 H new ATOM 0 HA SER A 68 -3.312 -20.927 -9.984 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.168 -18.654 -10.950 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.600 -18.410 -10.206 1.00 0.00 H new ATOM 0 HG SER A 68 -0.946 -20.393 -11.453 1.00 0.00 H new ATOM 855 N THR A 69 -1.219 -21.279 -7.892 1.00 0.00 N ATOM 856 CA THR A 69 -0.070 -22.027 -7.380 1.00 0.00 C ATOM 857 C THR A 69 -0.381 -22.616 -6.007 1.00 0.00 C ATOM 858 O THR A 69 -1.530 -22.619 -5.567 1.00 0.00 O ATOM 859 CB THR A 69 1.187 -21.141 -7.288 1.00 0.00 C ATOM 860 OG1 THR A 69 1.304 -20.562 -6.001 1.00 0.00 O ATOM 861 CG2 THR A 69 1.232 -20.013 -8.299 1.00 0.00 C ATOM 0 H THR A 69 -1.898 -21.013 -7.179 1.00 0.00 H new ATOM 0 HA THR A 69 0.130 -22.835 -8.084 1.00 0.00 H new ATOM 0 HB THR A 69 2.013 -21.820 -7.502 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.952 -19.648 -6.020 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.149 -19.440 -8.164 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.208 -20.427 -9.307 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.371 -19.360 -8.154 1.00 0.00 H new ATOM 869 N MET A 70 0.655 -23.103 -5.334 1.00 0.00 N ATOM 870 CA MET A 70 0.504 -23.686 -4.007 1.00 0.00 C ATOM 871 C MET A 70 1.567 -23.133 -3.064 1.00 0.00 C ATOM 872 O MET A 70 2.120 -23.859 -2.236 1.00 0.00 O ATOM 873 CB MET A 70 0.601 -25.211 -4.080 1.00 0.00 C ATOM 874 CG MET A 70 -0.569 -25.927 -3.426 1.00 0.00 C ATOM 875 SD MET A 70 -0.638 -25.658 -1.644 1.00 0.00 S ATOM 876 CE MET A 70 -2.348 -26.065 -1.304 1.00 0.00 C ATOM 0 H MET A 70 1.612 -23.105 -5.687 1.00 0.00 H new ATOM 0 HA MET A 70 -0.480 -23.420 -3.620 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.663 -25.513 -5.125 1.00 0.00 H new ATOM 0 HB3 MET A 70 1.526 -25.531 -3.601 1.00 0.00 H new ATOM 0 HG2 MET A 70 -1.499 -25.583 -3.878 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.494 -26.996 -3.626 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.545 -25.946 -0.239 1.00 0.00 H new ATOM 0 HE2 MET A 70 -3.000 -25.400 -1.870 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.541 -27.097 -1.596 1.00 0.00 H new ATOM 886 N MET A 71 1.850 -21.840 -3.200 1.00 0.00 N ATOM 887 CA MET A 71 2.850 -21.176 -2.371 1.00 0.00 C ATOM 888 C MET A 71 2.600 -21.432 -0.888 1.00 0.00 C ATOM 889 O MET A 71 1.465 -21.662 -0.469 1.00 0.00 O ATOM 890 CB MET A 71 2.846 -19.671 -2.645 1.00 0.00 C ATOM 891 CG MET A 71 3.583 -19.282 -3.916 1.00 0.00 C ATOM 892 SD MET A 71 5.066 -18.307 -3.595 1.00 0.00 S ATOM 893 CE MET A 71 4.413 -17.050 -2.499 1.00 0.00 C ATOM 0 H MET A 71 1.398 -21.229 -3.880 1.00 0.00 H new ATOM 0 HA MET A 71 3.825 -21.589 -2.628 1.00 0.00 H new ATOM 0 HB2 MET A 71 1.815 -19.325 -2.713 1.00 0.00 H new ATOM 0 HB3 MET A 71 3.300 -19.155 -1.799 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.858 -20.185 -4.461 1.00 0.00 H new ATOM 0 HG3 MET A 71 2.912 -18.713 -4.560 1.00 0.00 H new ATOM 0 HE1 MET A 71 5.083 -16.190 -2.492 1.00 0.00 H new ATOM 0 HE2 MET A 71 3.428 -16.740 -2.847 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.331 -17.454 -1.490 1.00 0.00 H new ATOM 903 N THR A 72 3.669 -21.388 -0.104 1.00 0.00 N ATOM 904 CA THR A 72 3.575 -21.611 1.333 1.00 0.00 C ATOM 905 C THR A 72 3.239 -20.315 2.061 1.00 0.00 C ATOM 906 O THR A 72 3.645 -19.232 1.638 1.00 0.00 O ATOM 907 CB THR A 72 4.892 -22.178 1.866 1.00 0.00 C ATOM 908 OG1 THR A 72 5.474 -23.061 0.924 1.00 0.00 O ATOM 909 CG2 THR A 72 4.734 -22.933 3.166 1.00 0.00 C ATOM 0 H THR A 72 4.614 -21.199 -0.440 1.00 0.00 H new ATOM 0 HA THR A 72 2.775 -22.329 1.515 1.00 0.00 H new ATOM 0 HB THR A 72 5.530 -21.312 2.043 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.316 -23.412 1.282 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.705 -23.309 3.489 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.332 -22.265 3.928 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.051 -23.770 3.020 1.00 0.00 H new ATOM 917 N ARG A 73 2.499 -20.430 3.157 1.00 0.00 N ATOM 918 CA ARG A 73 2.114 -19.262 3.942 1.00 0.00 C ATOM 919 C ARG A 73 3.348 -18.493 4.399 1.00 0.00 C ATOM 920 O ARG A 73 3.312 -17.272 4.547 1.00 0.00 O ATOM 921 CB ARG A 73 1.282 -19.683 5.155 1.00 0.00 C ATOM 922 CG ARG A 73 0.159 -20.653 4.815 1.00 0.00 C ATOM 923 CD ARG A 73 0.514 -22.078 5.206 1.00 0.00 C ATOM 924 NE ARG A 73 -0.653 -22.830 5.656 1.00 0.00 N ATOM 925 CZ ARG A 73 -1.610 -23.270 4.843 1.00 0.00 C ATOM 926 NH1 ARG A 73 -1.541 -23.037 3.538 1.00 0.00 N ATOM 927 NH2 ARG A 73 -2.639 -23.947 5.336 1.00 0.00 N ATOM 0 H ARG A 73 2.154 -21.318 3.522 1.00 0.00 H new ATOM 0 HA ARG A 73 1.510 -18.611 3.310 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.938 -20.144 5.893 1.00 0.00 H new ATOM 0 HB3 ARG A 73 0.855 -18.794 5.619 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.753 -20.350 5.330 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -0.049 -20.609 3.746 1.00 0.00 H new ATOM 0 HD2 ARG A 73 0.965 -22.586 4.354 1.00 0.00 H new ATOM 0 HD3 ARG A 73 1.262 -22.060 5.999 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.740 -23.030 6.652 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -0.751 -22.518 3.154 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.278 -23.377 2.920 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.696 -24.130 6.338 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.373 -24.284 4.713 1.00 0.00 H new ATOM 941 N GLU A 74 4.444 -19.215 4.614 1.00 0.00 N ATOM 942 CA GLU A 74 5.693 -18.599 5.046 1.00 0.00 C ATOM 943 C GLU A 74 6.152 -17.561 4.025 1.00 0.00 C ATOM 944 O GLU A 74 6.525 -16.444 4.384 1.00 0.00 O ATOM 945 CB GLU A 74 6.777 -19.663 5.235 1.00 0.00 C ATOM 946 CG GLU A 74 6.856 -20.204 6.654 1.00 0.00 C ATOM 947 CD GLU A 74 6.502 -21.675 6.740 1.00 0.00 C ATOM 948 OE1 GLU A 74 5.294 -21.995 6.770 1.00 0.00 O ATOM 949 OE2 GLU A 74 7.431 -22.508 6.780 1.00 0.00 O ATOM 0 H GLU A 74 4.492 -20.227 4.496 1.00 0.00 H new ATOM 0 HA GLU A 74 5.520 -18.102 6.001 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.587 -20.489 4.550 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.743 -19.238 4.962 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.864 -20.054 7.040 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.182 -19.634 7.294 1.00 0.00 H new ATOM 956 N GLN A 75 6.110 -17.940 2.751 1.00 0.00 N ATOM 957 CA GLN A 75 6.511 -17.040 1.678 1.00 0.00 C ATOM 958 C GLN A 75 5.635 -15.794 1.676 1.00 0.00 C ATOM 959 O GLN A 75 6.094 -14.697 1.361 1.00 0.00 O ATOM 960 CB GLN A 75 6.417 -17.750 0.324 1.00 0.00 C ATOM 961 CG GLN A 75 7.718 -18.407 -0.107 1.00 0.00 C ATOM 962 CD GLN A 75 7.960 -18.295 -1.600 1.00 0.00 C ATOM 963 OE1 GLN A 75 7.575 -19.175 -2.370 1.00 0.00 O ATOM 964 NE2 GLN A 75 8.601 -17.209 -2.016 1.00 0.00 N ATOM 0 H GLN A 75 5.803 -18.861 2.439 1.00 0.00 H new ATOM 0 HA GLN A 75 7.546 -16.741 1.847 1.00 0.00 H new ATOM 0 HB2 GLN A 75 5.635 -18.508 0.374 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.114 -17.029 -0.435 1.00 0.00 H new ATOM 0 HG2 GLN A 75 8.548 -17.946 0.428 1.00 0.00 H new ATOM 0 HG3 GLN A 75 7.701 -19.459 0.177 1.00 0.00 H new ATOM 0 HE21 GLN A 75 8.902 -16.505 -1.342 1.00 0.00 H new ATOM 0 HE22 GLN A 75 8.792 -17.079 -3.009 1.00 0.00 H new ATOM 973 N ILE A 76 4.370 -15.972 2.044 1.00 0.00 N ATOM 974 CA ILE A 76 3.425 -14.865 2.099 1.00 0.00 C ATOM 975 C ILE A 76 3.754 -13.941 3.266 1.00 0.00 C ATOM 976 O ILE A 76 3.590 -12.725 3.174 1.00 0.00 O ATOM 977 CB ILE A 76 1.975 -15.366 2.247 1.00 0.00 C ATOM 978 CG1 ILE A 76 1.665 -16.419 1.181 1.00 0.00 C ATOM 979 CG2 ILE A 76 0.999 -14.203 2.154 1.00 0.00 C ATOM 980 CD1 ILE A 76 1.630 -15.864 -0.228 1.00 0.00 C ATOM 0 H ILE A 76 3.976 -16.875 2.309 1.00 0.00 H new ATOM 0 HA ILE A 76 3.512 -14.319 1.160 1.00 0.00 H new ATOM 0 HB ILE A 76 1.864 -15.827 3.228 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.415 -17.208 1.233 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.702 -16.879 1.405 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.020 -14.574 2.260 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.209 -13.487 2.949 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.108 -13.713 1.186 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.405 -16.667 -0.930 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.860 -15.095 -0.297 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.600 -15.430 -0.472 1.00 0.00 H new ATOM 992 N GLN A 77 4.225 -14.530 4.361 1.00 0.00 N ATOM 993 CA GLN A 77 4.585 -13.764 5.546 1.00 0.00 C ATOM 994 C GLN A 77 5.722 -12.798 5.234 1.00 0.00 C ATOM 995 O GLN A 77 5.678 -11.627 5.609 1.00 0.00 O ATOM 996 CB GLN A 77 4.994 -14.703 6.682 1.00 0.00 C ATOM 997 CG GLN A 77 5.170 -14.001 8.020 1.00 0.00 C ATOM 998 CD GLN A 77 4.064 -14.332 9.003 1.00 0.00 C ATOM 999 OE1 GLN A 77 3.798 -15.500 9.288 1.00 0.00 O ATOM 1000 NE2 GLN A 77 3.412 -13.302 9.528 1.00 0.00 N ATOM 0 H GLN A 77 4.366 -15.536 4.451 1.00 0.00 H new ATOM 0 HA GLN A 77 3.714 -13.189 5.859 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.240 -15.483 6.787 1.00 0.00 H new ATOM 0 HB3 GLN A 77 5.928 -15.197 6.415 1.00 0.00 H new ATOM 0 HG2 GLN A 77 6.130 -14.284 8.451 1.00 0.00 H new ATOM 0 HG3 GLN A 77 5.198 -12.923 7.860 1.00 0.00 H new ATOM 0 HE21 GLN A 77 3.665 -12.350 9.264 1.00 0.00 H new ATOM 0 HE22 GLN A 77 2.658 -13.463 10.196 1.00 0.00 H new ATOM 1009 N LYS A 78 6.739 -13.296 4.536 1.00 0.00 N ATOM 1010 CA LYS A 78 7.882 -12.469 4.170 1.00 0.00 C ATOM 1011 C LYS A 78 7.465 -11.396 3.178 1.00 0.00 C ATOM 1012 O LYS A 78 7.759 -10.215 3.369 1.00 0.00 O ATOM 1013 CB LYS A 78 9.005 -13.330 3.584 1.00 0.00 C ATOM 1014 CG LYS A 78 10.363 -13.072 4.219 1.00 0.00 C ATOM 1015 CD LYS A 78 10.466 -13.718 5.593 1.00 0.00 C ATOM 1016 CE LYS A 78 11.869 -14.235 5.863 1.00 0.00 C ATOM 1017 NZ LYS A 78 12.499 -13.549 7.024 1.00 0.00 N ATOM 0 H LYS A 78 6.794 -14.262 4.215 1.00 0.00 H new ATOM 0 HA LYS A 78 8.256 -11.983 5.071 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.748 -14.382 3.709 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.073 -13.144 2.512 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.149 -13.462 3.572 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.527 -11.998 4.307 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.191 -12.992 6.359 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.754 -14.541 5.663 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.831 -15.308 6.052 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.486 -14.090 4.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.455 -13.930 7.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.559 -12.528 6.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.924 -13.709 7.876 1.00 0.00 H new ATOM 1031 N GLU A 79 6.754 -11.798 2.128 1.00 0.00 N ATOM 1032 CA GLU A 79 6.283 -10.842 1.138 1.00 0.00 C ATOM 1033 C GLU A 79 5.449 -9.781 1.834 1.00 0.00 C ATOM 1034 O GLU A 79 5.483 -8.605 1.470 1.00 0.00 O ATOM 1035 CB GLU A 79 5.464 -11.541 0.050 1.00 0.00 C ATOM 1036 CG GLU A 79 6.281 -12.492 -0.809 1.00 0.00 C ATOM 1037 CD GLU A 79 5.431 -13.246 -1.813 1.00 0.00 C ATOM 1038 OE1 GLU A 79 4.733 -14.199 -1.403 1.00 0.00 O ATOM 1039 OE2 GLU A 79 5.463 -12.886 -3.008 1.00 0.00 O ATOM 0 H GLU A 79 6.495 -12.767 1.944 1.00 0.00 H new ATOM 0 HA GLU A 79 7.141 -10.374 0.655 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.651 -12.095 0.519 1.00 0.00 H new ATOM 0 HB3 GLU A 79 5.008 -10.787 -0.591 1.00 0.00 H new ATOM 0 HG2 GLU A 79 7.049 -11.929 -1.339 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.796 -13.206 -0.166 1.00 0.00 H new ATOM 1046 N TYR A 80 4.734 -10.202 2.872 1.00 0.00 N ATOM 1047 CA TYR A 80 3.933 -9.282 3.656 1.00 0.00 C ATOM 1048 C TYR A 80 4.866 -8.299 4.344 1.00 0.00 C ATOM 1049 O TYR A 80 4.551 -7.117 4.484 1.00 0.00 O ATOM 1050 CB TYR A 80 3.094 -10.037 4.690 1.00 0.00 C ATOM 1051 CG TYR A 80 2.178 -9.143 5.496 1.00 0.00 C ATOM 1052 CD1 TYR A 80 2.685 -8.306 6.482 1.00 0.00 C ATOM 1053 CD2 TYR A 80 0.807 -9.137 5.272 1.00 0.00 C ATOM 1054 CE1 TYR A 80 1.851 -7.488 7.221 1.00 0.00 C ATOM 1055 CE2 TYR A 80 -0.032 -8.323 6.007 1.00 0.00 C ATOM 1056 CZ TYR A 80 0.495 -7.500 6.981 1.00 0.00 C ATOM 1057 OH TYR A 80 -0.339 -6.687 7.715 1.00 0.00 O ATOM 0 H TYR A 80 4.696 -11.172 3.185 1.00 0.00 H new ATOM 0 HA TYR A 80 3.245 -8.747 3.002 1.00 0.00 H new ATOM 0 HB2 TYR A 80 2.495 -10.791 4.179 1.00 0.00 H new ATOM 0 HB3 TYR A 80 3.761 -10.567 5.370 1.00 0.00 H new ATOM 0 HD1 TYR A 80 3.748 -8.294 6.674 1.00 0.00 H new ATOM 0 HD2 TYR A 80 0.390 -9.780 4.510 1.00 0.00 H new ATOM 0 HE1 TYR A 80 2.261 -6.842 7.983 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -1.096 -8.331 5.820 1.00 0.00 H new ATOM 0 HH TYR A 80 -1.265 -6.816 7.420 1.00 0.00 H new ATOM 1067 N ASP A 81 6.037 -8.798 4.748 1.00 0.00 N ATOM 1068 CA ASP A 81 7.034 -7.959 5.393 1.00 0.00 C ATOM 1069 C ASP A 81 7.618 -6.981 4.385 1.00 0.00 C ATOM 1070 O ASP A 81 7.888 -5.825 4.715 1.00 0.00 O ATOM 1071 CB ASP A 81 8.144 -8.816 6.006 1.00 0.00 C ATOM 1072 CG ASP A 81 7.956 -9.024 7.497 1.00 0.00 C ATOM 1073 OD1 ASP A 81 7.091 -9.842 7.878 1.00 0.00 O ATOM 1074 OD2 ASP A 81 8.673 -8.370 8.281 1.00 0.00 O ATOM 0 H ASP A 81 6.311 -9.774 4.638 1.00 0.00 H new ATOM 0 HA ASP A 81 6.553 -7.398 6.194 1.00 0.00 H new ATOM 0 HB2 ASP A 81 8.169 -9.785 5.507 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.108 -8.340 5.827 1.00 0.00 H new ATOM 1079 N ALA A 82 7.793 -7.437 3.143 1.00 0.00 N ATOM 1080 CA ALA A 82 8.323 -6.575 2.096 1.00 0.00 C ATOM 1081 C ALA A 82 7.398 -5.384 1.904 1.00 0.00 C ATOM 1082 O ALA A 82 7.846 -4.259 1.673 1.00 0.00 O ATOM 1083 CB ALA A 82 8.481 -7.348 0.796 1.00 0.00 C ATOM 0 H ALA A 82 7.577 -8.388 2.844 1.00 0.00 H new ATOM 0 HA ALA A 82 9.308 -6.216 2.393 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.878 -6.687 0.026 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.168 -8.181 0.949 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.511 -7.731 0.480 1.00 0.00 H new ATOM 1089 N LEU A 83 6.100 -5.641 2.028 1.00 0.00 N ATOM 1090 CA LEU A 83 5.098 -4.597 1.897 1.00 0.00 C ATOM 1091 C LEU A 83 5.075 -3.738 3.155 1.00 0.00 C ATOM 1092 O LEU A 83 4.804 -2.540 3.095 1.00 0.00 O ATOM 1093 CB LEU A 83 3.718 -5.210 1.651 1.00 0.00 C ATOM 1094 CG LEU A 83 3.531 -5.848 0.269 1.00 0.00 C ATOM 1095 CD1 LEU A 83 2.975 -7.258 0.398 1.00 0.00 C ATOM 1096 CD2 LEU A 83 2.616 -4.991 -0.595 1.00 0.00 C ATOM 0 H LEU A 83 5.719 -6.568 2.220 1.00 0.00 H new ATOM 0 HA LEU A 83 5.355 -3.969 1.044 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.532 -5.967 2.413 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.964 -4.434 1.782 1.00 0.00 H new ATOM 0 HG LEU A 83 4.506 -5.908 -0.214 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.850 -7.692 -0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.666 -7.870 0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.010 -7.224 0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.495 -5.459 -1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.642 -4.899 -0.113 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.055 -4.001 -0.719 1.00 0.00 H new ATOM 1108 N VAL A 84 5.376 -4.360 4.297 1.00 0.00 N ATOM 1109 CA VAL A 84 5.403 -3.644 5.564 1.00 0.00 C ATOM 1110 C VAL A 84 6.547 -2.637 5.576 1.00 0.00 C ATOM 1111 O VAL A 84 6.431 -1.556 6.153 1.00 0.00 O ATOM 1112 CB VAL A 84 5.556 -4.609 6.757 1.00 0.00 C ATOM 1113 CG1 VAL A 84 5.610 -3.841 8.071 1.00 0.00 C ATOM 1114 CG2 VAL A 84 4.422 -5.625 6.772 1.00 0.00 C ATOM 0 H VAL A 84 5.603 -5.352 4.366 1.00 0.00 H new ATOM 0 HA VAL A 84 4.452 -3.121 5.666 1.00 0.00 H new ATOM 0 HB VAL A 84 6.497 -5.147 6.642 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.718 -4.542 8.898 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.461 -3.160 8.059 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.690 -3.270 8.197 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.547 -6.297 7.621 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.468 -5.104 6.859 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.438 -6.202 5.847 1.00 0.00 H new ATOM 1124 N LYS A 85 7.649 -2.994 4.922 1.00 0.00 N ATOM 1125 CA LYS A 85 8.809 -2.116 4.847 1.00 0.00 C ATOM 1126 C LYS A 85 8.518 -0.942 3.920 1.00 0.00 C ATOM 1127 O LYS A 85 8.739 0.218 4.276 1.00 0.00 O ATOM 1128 CB LYS A 85 10.032 -2.888 4.348 1.00 0.00 C ATOM 1129 CG LYS A 85 11.349 -2.360 4.892 1.00 0.00 C ATOM 1130 CD LYS A 85 11.785 -3.122 6.134 1.00 0.00 C ATOM 1131 CE LYS A 85 13.153 -2.670 6.614 1.00 0.00 C ATOM 1132 NZ LYS A 85 13.488 -3.235 7.950 1.00 0.00 N ATOM 0 H LYS A 85 7.761 -3.884 4.437 1.00 0.00 H new ATOM 0 HA LYS A 85 9.022 -1.735 5.846 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.928 -3.937 4.627 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.057 -2.849 3.259 1.00 0.00 H new ATOM 0 HG2 LYS A 85 12.119 -2.441 4.125 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.247 -1.301 5.131 1.00 0.00 H new ATOM 0 HD2 LYS A 85 11.053 -2.975 6.928 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.809 -4.190 5.917 1.00 0.00 H new ATOM 0 HE2 LYS A 85 13.910 -2.974 5.891 1.00 0.00 H new ATOM 0 HE3 LYS A 85 13.179 -1.581 6.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 14.429 -2.902 8.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.780 -2.924 8.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 13.489 -4.274 7.897 1.00 0.00 H new ATOM 1146 N SER A 86 8.009 -1.253 2.734 1.00 0.00 N ATOM 1147 CA SER A 86 7.673 -0.227 1.756 1.00 0.00 C ATOM 1148 C SER A 86 6.598 0.699 2.309 1.00 0.00 C ATOM 1149 O SER A 86 6.655 1.916 2.129 1.00 0.00 O ATOM 1150 CB SER A 86 7.193 -0.870 0.452 1.00 0.00 C ATOM 1151 OG SER A 86 7.503 -0.053 -0.664 1.00 0.00 O ATOM 0 H SER A 86 7.820 -2.207 2.427 1.00 0.00 H new ATOM 0 HA SER A 86 8.568 0.359 1.548 1.00 0.00 H new ATOM 0 HB2 SER A 86 7.660 -1.848 0.332 1.00 0.00 H new ATOM 0 HB3 SER A 86 6.116 -1.034 0.499 1.00 0.00 H new ATOM 0 HG SER A 86 7.335 -0.551 -1.491 1.00 0.00 H new ATOM 1157 N SER A 87 5.621 0.112 2.991 1.00 0.00 N ATOM 1158 CA SER A 87 4.533 0.881 3.582 1.00 0.00 C ATOM 1159 C SER A 87 5.066 1.811 4.666 1.00 0.00 C ATOM 1160 O SER A 87 4.759 3.001 4.682 1.00 0.00 O ATOM 1161 CB SER A 87 3.472 -0.053 4.168 1.00 0.00 C ATOM 1162 OG SER A 87 3.851 -0.516 5.453 1.00 0.00 O ATOM 0 H SER A 87 5.560 -0.894 3.148 1.00 0.00 H new ATOM 0 HA SER A 87 4.074 1.483 2.797 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.519 0.471 4.234 1.00 0.00 H new ATOM 0 HB3 SER A 87 3.323 -0.903 3.502 1.00 0.00 H new ATOM 0 HG SER A 87 4.760 -0.879 5.415 1.00 0.00 H new ATOM 1168 N GLU A 88 5.876 1.260 5.568 1.00 0.00 N ATOM 1169 CA GLU A 88 6.459 2.046 6.652 1.00 0.00 C ATOM 1170 C GLU A 88 7.103 3.317 6.107 1.00 0.00 C ATOM 1171 O GLU A 88 6.929 4.403 6.660 1.00 0.00 O ATOM 1172 CB GLU A 88 7.497 1.218 7.414 1.00 0.00 C ATOM 1173 CG GLU A 88 7.294 1.226 8.922 1.00 0.00 C ATOM 1174 CD GLU A 88 7.846 2.478 9.575 1.00 0.00 C ATOM 1175 OE1 GLU A 88 7.229 3.552 9.417 1.00 0.00 O ATOM 1176 OE2 GLU A 88 8.894 2.385 10.246 1.00 0.00 O ATOM 0 H GLU A 88 6.143 0.275 5.569 1.00 0.00 H new ATOM 0 HA GLU A 88 5.660 2.326 7.338 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.462 0.189 7.056 1.00 0.00 H new ATOM 0 HB3 GLU A 88 8.492 1.601 7.188 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.230 1.144 9.143 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.778 0.351 9.355 1.00 0.00 H new ATOM 1183 N ASP A 89 7.836 3.169 5.011 1.00 0.00 N ATOM 1184 CA ASP A 89 8.498 4.304 4.378 1.00 0.00 C ATOM 1185 C ASP A 89 7.472 5.229 3.728 1.00 0.00 C ATOM 1186 O ASP A 89 7.687 6.436 3.628 1.00 0.00 O ATOM 1187 CB ASP A 89 9.503 3.818 3.332 1.00 0.00 C ATOM 1188 CG ASP A 89 10.776 3.284 3.957 1.00 0.00 C ATOM 1189 OD1 ASP A 89 10.677 2.482 4.911 1.00 0.00 O ATOM 1190 OD2 ASP A 89 11.871 3.665 3.493 1.00 0.00 O ATOM 0 H ASP A 89 7.987 2.276 4.542 1.00 0.00 H new ATOM 0 HA ASP A 89 9.032 4.862 5.147 1.00 0.00 H new ATOM 0 HB2 ASP A 89 9.044 3.037 2.726 1.00 0.00 H new ATOM 0 HB3 ASP A 89 9.749 4.640 2.659 1.00 0.00 H new ATOM 1195 N LEU A 90 6.357 4.651 3.289 1.00 0.00 N ATOM 1196 CA LEU A 90 5.297 5.423 2.649 1.00 0.00 C ATOM 1197 C LEU A 90 4.667 6.398 3.635 1.00 0.00 C ATOM 1198 O LEU A 90 4.517 7.585 3.339 1.00 0.00 O ATOM 1199 CB LEU A 90 4.228 4.488 2.080 1.00 0.00 C ATOM 1200 CG LEU A 90 3.070 5.186 1.365 1.00 0.00 C ATOM 1201 CD1 LEU A 90 2.422 4.248 0.358 1.00 0.00 C ATOM 1202 CD2 LEU A 90 2.045 5.683 2.373 1.00 0.00 C ATOM 0 H LEU A 90 6.165 3.652 3.365 1.00 0.00 H new ATOM 0 HA LEU A 90 5.738 5.995 1.833 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.704 3.800 1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.823 3.887 2.894 1.00 0.00 H new ATOM 0 HG LEU A 90 3.465 6.047 0.825 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.600 4.761 -0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.161 3.942 -0.382 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.039 3.368 0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.228 6.177 1.847 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.654 4.839 2.940 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.518 6.390 3.055 1.00 0.00 H new ATOM 1214 N LEU A 91 4.310 5.895 4.811 1.00 0.00 N ATOM 1215 CA LEU A 91 3.708 6.733 5.843 1.00 0.00 C ATOM 1216 C LEU A 91 4.690 7.812 6.262 1.00 0.00 C ATOM 1217 O LEU A 91 4.337 8.985 6.378 1.00 0.00 O ATOM 1218 CB LEU A 91 3.304 5.904 7.062 1.00 0.00 C ATOM 1219 CG LEU A 91 2.781 4.508 6.747 1.00 0.00 C ATOM 1220 CD1 LEU A 91 2.540 3.723 8.027 1.00 0.00 C ATOM 1221 CD2 LEU A 91 1.506 4.592 5.920 1.00 0.00 C ATOM 0 H LEU A 91 4.426 4.916 5.074 1.00 0.00 H new ATOM 0 HA LEU A 91 2.810 7.191 5.429 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.167 5.812 7.722 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.537 6.447 7.614 1.00 0.00 H new ATOM 0 HG LEU A 91 3.536 3.982 6.163 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.167 2.729 7.780 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.475 3.632 8.580 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.805 4.244 8.641 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.146 3.586 5.704 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.745 5.138 6.478 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.713 5.112 4.985 1.00 0.00 H new ATOM 1233 N SER A 92 5.932 7.398 6.477 1.00 0.00 N ATOM 1234 CA SER A 92 6.989 8.323 6.872 1.00 0.00 C ATOM 1235 C SER A 92 7.092 9.469 5.873 1.00 0.00 C ATOM 1236 O SER A 92 7.224 10.631 6.255 1.00 0.00 O ATOM 1237 CB SER A 92 8.329 7.591 6.972 1.00 0.00 C ATOM 1238 OG SER A 92 8.824 7.255 5.687 1.00 0.00 O ATOM 0 H SER A 92 6.233 6.428 6.385 1.00 0.00 H new ATOM 0 HA SER A 92 6.740 8.733 7.851 1.00 0.00 H new ATOM 0 HB2 SER A 92 9.053 8.220 7.491 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.209 6.686 7.567 1.00 0.00 H new ATOM 0 HG SER A 92 8.078 6.996 5.107 1.00 0.00 H new ATOM 1244 N ALA A 93 7.015 9.131 4.590 1.00 0.00 N ATOM 1245 CA ALA A 93 7.086 10.131 3.532 1.00 0.00 C ATOM 1246 C ALA A 93 5.924 11.109 3.646 1.00 0.00 C ATOM 1247 O ALA A 93 6.107 12.324 3.550 1.00 0.00 O ATOM 1248 CB ALA A 93 7.088 9.461 2.167 1.00 0.00 C ATOM 0 H ALA A 93 6.904 8.173 4.258 1.00 0.00 H new ATOM 0 HA ALA A 93 8.017 10.688 3.643 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.141 10.222 1.388 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.951 8.799 2.088 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.173 8.881 2.045 1.00 0.00 H new ATOM 1254 N LEU A 94 4.727 10.570 3.863 1.00 0.00 N ATOM 1255 CA LEU A 94 3.533 11.395 4.004 1.00 0.00 C ATOM 1256 C LEU A 94 3.736 12.433 5.101 1.00 0.00 C ATOM 1257 O LEU A 94 3.484 13.622 4.903 1.00 0.00 O ATOM 1258 CB LEU A 94 2.314 10.523 4.315 1.00 0.00 C ATOM 1259 CG LEU A 94 1.152 10.662 3.330 1.00 0.00 C ATOM 1260 CD1 LEU A 94 1.447 9.902 2.046 1.00 0.00 C ATOM 1261 CD2 LEU A 94 -0.142 10.165 3.958 1.00 0.00 C ATOM 0 H LEU A 94 4.559 9.567 3.945 1.00 0.00 H new ATOM 0 HA LEU A 94 3.355 11.913 3.062 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.629 9.480 4.338 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.955 10.769 5.314 1.00 0.00 H new ATOM 0 HG LEU A 94 1.033 11.718 3.086 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.609 10.012 1.357 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.350 10.302 1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.593 8.846 2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.958 10.271 3.243 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.034 9.115 4.232 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.362 10.752 4.850 1.00 0.00 H new ATOM 1273 N GLN A 95 4.206 11.972 6.256 1.00 0.00 N ATOM 1274 CA GLN A 95 4.458 12.859 7.385 1.00 0.00 C ATOM 1275 C GLN A 95 5.418 13.971 6.983 1.00 0.00 C ATOM 1276 O GLN A 95 5.256 15.124 7.387 1.00 0.00 O ATOM 1277 CB GLN A 95 5.031 12.072 8.566 1.00 0.00 C ATOM 1278 CG GLN A 95 3.972 11.374 9.403 1.00 0.00 C ATOM 1279 CD GLN A 95 3.958 9.873 9.193 1.00 0.00 C ATOM 1280 OE1 GLN A 95 4.894 9.172 9.581 1.00 0.00 O ATOM 1281 NE2 GLN A 95 2.896 9.371 8.576 1.00 0.00 N ATOM 0 H GLN A 95 4.420 10.991 6.434 1.00 0.00 H new ATOM 0 HA GLN A 95 3.511 13.306 7.689 1.00 0.00 H new ATOM 0 HB2 GLN A 95 5.733 11.328 8.190 1.00 0.00 H new ATOM 0 HB3 GLN A 95 5.597 12.751 9.204 1.00 0.00 H new ATOM 0 HG2 GLN A 95 4.148 11.588 10.457 1.00 0.00 H new ATOM 0 HG3 GLN A 95 2.992 11.781 9.155 1.00 0.00 H new ATOM 0 HE21 GLN A 95 2.144 9.989 8.272 1.00 0.00 H new ATOM 0 HE22 GLN A 95 2.832 8.367 8.406 1.00 0.00 H new ATOM 1290 N LYS A 96 6.412 13.623 6.172 1.00 0.00 N ATOM 1291 CA LYS A 96 7.385 14.598 5.701 1.00 0.00 C ATOM 1292 C LYS A 96 6.691 15.666 4.866 1.00 0.00 C ATOM 1293 O LYS A 96 7.102 16.828 4.852 1.00 0.00 O ATOM 1294 CB LYS A 96 8.475 13.915 4.873 1.00 0.00 C ATOM 1295 CG LYS A 96 9.286 12.896 5.655 1.00 0.00 C ATOM 1296 CD LYS A 96 10.739 12.874 5.203 1.00 0.00 C ATOM 1297 CE LYS A 96 11.649 13.567 6.203 1.00 0.00 C ATOM 1298 NZ LYS A 96 12.087 14.907 5.721 1.00 0.00 N ATOM 0 H LYS A 96 6.563 12.675 5.829 1.00 0.00 H new ATOM 0 HA LYS A 96 7.851 15.067 6.568 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.014 13.421 4.018 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.148 14.675 4.477 1.00 0.00 H new ATOM 0 HG2 LYS A 96 9.238 13.130 6.718 1.00 0.00 H new ATOM 0 HG3 LYS A 96 8.849 11.906 5.527 1.00 0.00 H new ATOM 0 HD2 LYS A 96 11.063 11.842 5.070 1.00 0.00 H new ATOM 0 HD3 LYS A 96 10.826 13.363 4.233 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.127 13.676 7.154 1.00 0.00 H new ATOM 0 HE3 LYS A 96 12.524 12.944 6.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.706 15.346 6.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 12.607 14.801 4.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.254 15.510 5.567 1.00 0.00 H new ATOM 1312 N LYS A 97 5.635 15.259 4.169 1.00 0.00 N ATOM 1313 CA LYS A 97 4.871 16.171 3.325 1.00 0.00 C ATOM 1314 C LYS A 97 4.093 17.178 4.163 1.00 0.00 C ATOM 1315 O LYS A 97 4.260 18.388 4.013 1.00 0.00 O ATOM 1316 CB LYS A 97 3.910 15.387 2.431 1.00 0.00 C ATOM 1317 CG LYS A 97 4.571 14.244 1.679 1.00 0.00 C ATOM 1318 CD LYS A 97 3.896 13.992 0.341 1.00 0.00 C ATOM 1319 CE LYS A 97 4.585 12.880 -0.431 1.00 0.00 C ATOM 1320 NZ LYS A 97 4.225 12.898 -1.876 1.00 0.00 N ATOM 0 H LYS A 97 5.288 14.300 4.172 1.00 0.00 H new ATOM 0 HA LYS A 97 5.577 16.719 2.701 1.00 0.00 H new ATOM 0 HB2 LYS A 97 3.102 14.988 3.044 1.00 0.00 H new ATOM 0 HB3 LYS A 97 3.458 16.070 1.712 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.624 14.474 1.518 1.00 0.00 H new ATOM 0 HG3 LYS A 97 4.531 13.338 2.284 1.00 0.00 H new ATOM 0 HD2 LYS A 97 2.851 13.729 0.504 1.00 0.00 H new ATOM 0 HD3 LYS A 97 3.906 14.907 -0.251 1.00 0.00 H new ATOM 0 HE2 LYS A 97 5.665 12.981 -0.325 1.00 0.00 H new ATOM 0 HE3 LYS A 97 4.311 11.917 -0.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 4.780 12.178 -2.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 3.211 12.692 -1.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 4.432 13.837 -2.274 1.00 0.00 H new ATOM 1334 N LYS A 98 3.232 16.672 5.040 1.00 0.00 N ATOM 1335 CA LYS A 98 2.419 17.536 5.893 1.00 0.00 C ATOM 1336 C LYS A 98 3.291 18.447 6.753 1.00 0.00 C ATOM 1337 O LYS A 98 3.033 19.645 6.861 1.00 0.00 O ATOM 1338 CB LYS A 98 1.483 16.714 6.785 1.00 0.00 C ATOM 1339 CG LYS A 98 2.105 15.440 7.337 1.00 0.00 C ATOM 1340 CD LYS A 98 1.300 14.211 6.939 1.00 0.00 C ATOM 1341 CE LYS A 98 0.608 13.583 8.139 1.00 0.00 C ATOM 1342 NZ LYS A 98 -0.489 14.445 8.662 1.00 0.00 N ATOM 0 H LYS A 98 3.078 15.673 5.180 1.00 0.00 H new ATOM 0 HA LYS A 98 1.813 18.158 5.234 1.00 0.00 H new ATOM 0 HB2 LYS A 98 1.155 17.335 7.618 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.593 16.452 6.214 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.126 15.343 6.969 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.163 15.503 8.424 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.555 14.489 6.193 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.959 13.478 6.474 1.00 0.00 H new ATOM 0 HE2 LYS A 98 0.203 12.611 7.857 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.339 13.407 8.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.935 13.982 9.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.099 15.363 8.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.200 14.593 7.917 1.00 0.00 H new ATOM 1356 N GLN A 99 4.323 17.875 7.364 1.00 0.00 N ATOM 1357 CA GLN A 99 5.226 18.647 8.212 1.00 0.00 C ATOM 1358 C GLN A 99 5.949 19.719 7.402 1.00 0.00 C ATOM 1359 O GLN A 99 6.205 20.818 7.895 1.00 0.00 O ATOM 1360 CB GLN A 99 6.241 17.723 8.894 1.00 0.00 C ATOM 1361 CG GLN A 99 7.324 17.203 7.961 1.00 0.00 C ATOM 1362 CD GLN A 99 8.297 16.275 8.659 1.00 0.00 C ATOM 1363 OE1 GLN A 99 7.959 15.138 8.991 1.00 0.00 O ATOM 1364 NE2 GLN A 99 9.514 16.754 8.888 1.00 0.00 N ATOM 0 H GLN A 99 4.555 16.885 7.289 1.00 0.00 H new ATOM 0 HA GLN A 99 4.630 19.141 8.980 1.00 0.00 H new ATOM 0 HB2 GLN A 99 6.712 18.261 9.717 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.711 16.875 9.328 1.00 0.00 H new ATOM 0 HG2 GLN A 99 6.859 16.676 7.128 1.00 0.00 H new ATOM 0 HG3 GLN A 99 7.871 18.046 7.539 1.00 0.00 H new ATOM 0 HE21 GLN A 99 9.752 17.702 8.596 1.00 0.00 H new ATOM 0 HE22 GLN A 99 10.211 16.174 9.356 1.00 0.00 H new ATOM 1373 N GLN A 100 6.276 19.391 6.157 1.00 0.00 N ATOM 1374 CA GLN A 100 6.969 20.325 5.277 1.00 0.00 C ATOM 1375 C GLN A 100 6.048 21.468 4.863 1.00 0.00 C ATOM 1376 O GLN A 100 6.388 22.640 5.019 1.00 0.00 O ATOM 1377 CB GLN A 100 7.486 19.598 4.034 1.00 0.00 C ATOM 1378 CG GLN A 100 8.876 19.008 4.209 1.00 0.00 C ATOM 1379 CD GLN A 100 9.217 17.992 3.136 1.00 0.00 C ATOM 1380 OE1 GLN A 100 9.157 18.288 1.943 1.00 0.00 O ATOM 1381 NE2 GLN A 100 9.579 16.786 3.557 1.00 0.00 N ATOM 0 H GLN A 100 6.072 18.485 5.734 1.00 0.00 H new ATOM 0 HA GLN A 100 7.814 20.742 5.825 1.00 0.00 H new ATOM 0 HB2 GLN A 100 6.791 18.799 3.775 1.00 0.00 H new ATOM 0 HB3 GLN A 100 7.499 20.294 3.195 1.00 0.00 H new ATOM 0 HG2 GLN A 100 9.613 19.811 4.191 1.00 0.00 H new ATOM 0 HG3 GLN A 100 8.945 18.534 5.188 1.00 0.00 H new ATOM 0 HE21 GLN A 100 9.615 16.584 4.556 1.00 0.00 H new ATOM 0 HE22 GLN A 100 9.821 16.061 2.881 1.00 0.00 H new ATOM 1390 N GLU A 101 4.878 21.117 4.337 1.00 0.00 N ATOM 1391 CA GLU A 101 3.906 22.113 3.901 1.00 0.00 C ATOM 1392 C GLU A 101 3.464 22.987 5.068 1.00 0.00 C ATOM 1393 O GLU A 101 3.835 24.157 5.157 1.00 0.00 O ATOM 1394 CB GLU A 101 2.692 21.429 3.271 1.00 0.00 C ATOM 1395 CG GLU A 101 3.021 20.648 2.009 1.00 0.00 C ATOM 1396 CD GLU A 101 1.828 20.508 1.085 1.00 0.00 C ATOM 1397 OE1 GLU A 101 0.876 19.783 1.448 1.00 0.00 O ATOM 1398 OE2 GLU A 101 1.843 21.123 -0.002 1.00 0.00 O ATOM 0 H GLU A 101 4.581 20.151 4.203 1.00 0.00 H new ATOM 0 HA GLU A 101 4.383 22.749 3.155 1.00 0.00 H new ATOM 0 HB2 GLU A 101 2.247 20.753 4.001 1.00 0.00 H new ATOM 0 HB3 GLU A 101 1.941 22.184 3.036 1.00 0.00 H new ATOM 0 HG2 GLU A 101 3.831 21.147 1.478 1.00 0.00 H new ATOM 0 HG3 GLU A 101 3.382 19.657 2.283 1.00 0.00 H new ATOM 1405 N GLU A 102 2.665 22.411 5.963 1.00 0.00 N ATOM 1406 CA GLU A 102 2.170 23.137 7.124 1.00 0.00 C ATOM 1407 C GLU A 102 3.071 22.906 8.333 1.00 0.00 C ATOM 1408 O GLU A 102 4.088 22.219 8.240 1.00 0.00 O ATOM 1409 CB GLU A 102 0.739 22.704 7.448 1.00 0.00 C ATOM 1410 CG GLU A 102 -0.311 23.370 6.572 1.00 0.00 C ATOM 1411 CD GLU A 102 -1.668 23.442 7.242 1.00 0.00 C ATOM 1412 OE1 GLU A 102 -1.739 23.922 8.392 1.00 0.00 O ATOM 1413 OE2 GLU A 102 -2.662 23.020 6.614 1.00 0.00 O ATOM 0 H GLU A 102 2.348 21.443 5.904 1.00 0.00 H new ATOM 0 HA GLU A 102 2.175 24.201 6.888 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.661 21.623 7.336 1.00 0.00 H new ATOM 0 HB3 GLU A 102 0.527 22.932 8.493 1.00 0.00 H new ATOM 0 HG2 GLU A 102 0.019 24.377 6.318 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -0.401 22.819 5.636 1.00 0.00 H new ATOM 1420 N GLU A 103 2.689 23.481 9.468 1.00 0.00 N ATOM 1421 CA GLU A 103 3.462 23.338 10.697 1.00 0.00 C ATOM 1422 C GLU A 103 3.325 21.929 11.259 1.00 0.00 C ATOM 1423 O GLU A 103 4.256 21.395 11.862 1.00 0.00 O ATOM 1424 CB GLU A 103 3.004 24.363 11.735 1.00 0.00 C ATOM 1425 CG GLU A 103 2.893 25.776 11.189 1.00 0.00 C ATOM 1426 CD GLU A 103 1.955 26.644 12.005 1.00 0.00 C ATOM 1427 OE1 GLU A 103 0.932 26.117 12.492 1.00 0.00 O ATOM 1428 OE2 GLU A 103 2.240 27.850 12.154 1.00 0.00 O ATOM 0 H GLU A 103 1.848 24.051 9.563 1.00 0.00 H new ATOM 0 HA GLU A 103 4.511 23.517 10.463 1.00 0.00 H new ATOM 0 HB2 GLU A 103 2.035 24.059 12.131 1.00 0.00 H new ATOM 0 HB3 GLU A 103 3.705 24.359 12.570 1.00 0.00 H new ATOM 0 HG2 GLU A 103 3.882 26.233 11.171 1.00 0.00 H new ATOM 0 HG3 GLU A 103 2.541 25.737 10.158 1.00 0.00 H new TER 1435 GLU A 103