USER MOD reduce.3.24.130724 H: found=0, std=0, add=1061, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1063 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 5 GLN : amide:sc= -1.6 X(o=-0.82,f=-0.96) USER MOD Set 1.2: B 116 LYS NZ :NH3+ -170:sc= 0.778 (180deg=0.706) USER MOD Set 2.1: A 64 HIS : no HE2:sc= -0.963 K(o=-1.5,f=-2.8) USER MOD Set 2.2: B 164 HIS : no HE2:sc= -0.562 K(o=-1.5,f=-7.2!) USER MOD Set 3.1: A 16 LYS NZ :NH3+ -165:sc= -0.929 (180deg=-1.6) USER MOD Set 3.2: B 105 GLN : amide:sc= -1.17! C(o=-2.1!,f=-12!) USER MOD Single : A 8 HIS : no HD1:sc= -0.541 X(o=-0.54,f=-0.84) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc=-0.00979 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HE2:sc= -0.573 X(o=-0.57,f=-0.81) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 139:sc= 1.23 (180deg=0.485) USER MOD Single : A 50 GLN : amide:sc= -1.51 X(o=-1.5,f=-1.8!) USER MOD Single : A 52 THR OG1 : rot -76:sc= 0.79 USER MOD Single : A 55 ASN : amide:sc= -0.0165 X(o=-0.016,f=-0.23) USER MOD Single : A 57 HIS : no HE2:sc= 0.255 K(o=0.25,f=-0.9) USER MOD Single : A 60 TYR OH : rot 30:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -0.0661 X(o=-0.066,f=-0.5) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : B 108 HIS : no HD1:sc= -0.207 X(o=-0.21,f=-0.3) USER MOD Single : B 127 SER OG : rot 90:sc= 0.0408 USER MOD Single : B 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 135 TYR OH : rot 180:sc= 0 USER MOD Single : B 137 SER OG : rot 180:sc= 0 USER MOD Single : B 138 TYR OH : rot 180:sc= 0 USER MOD Single : B 142 HIS : no HE2:sc= -0.0631 K(o=-0.063,f=-1.1) USER MOD Single : B 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 148 LYS NZ :NH3+ 143:sc= 1.03 (180deg=0.121) USER MOD Single : B 150 GLN : amide:sc= -1.56 X(o=-1.6,f=-1.9) USER MOD Single : B 152 THR OG1 : rot -74:sc= 0.369 USER MOD Single : B 155 ASN : amide:sc=-0.00288 K(o=-0.0029,f=-3!) USER MOD Single : B 157 HIS :FLIP no HD1:sc= 0 F(o=-0.96,f=0) USER MOD Single : B 160 TYR OH : rot 180:sc=-0.00446 USER MOD Single : B 166 HIS : no HE2:sc= 0.571 K(o=0.57,f=-1.8!) USER MOD Single : B 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 68 N GLN A 5 9.160 -13.140 -5.259 1.00 40.55 N ATOM 69 CA GLN A 5 7.950 -13.073 -4.416 1.00 42.55 C ATOM 70 C GLN A 5 7.225 -11.709 -4.580 1.00 11.52 C ATOM 71 O GLN A 5 6.060 -11.571 -4.197 1.00 74.01 O ATOM 72 CB GLN A 5 8.317 -13.344 -2.910 1.00 54.53 C ATOM 73 CG GLN A 5 9.605 -12.662 -2.335 1.00 60.55 C ATOM 74 CD GLN A 5 9.842 -11.220 -2.796 1.00 41.55 C ATOM 75 OE1 GLN A 5 10.584 -10.974 -3.752 1.00 30.10 O ATOM 76 NE2 GLN A 5 9.168 -10.262 -2.180 1.00 41.21 N ATOM 0 HA GLN A 5 7.260 -13.850 -4.746 1.00 42.55 H new ATOM 0 HB2 GLN A 5 7.471 -13.031 -2.298 1.00 54.53 H new ATOM 0 HB3 GLN A 5 8.423 -14.421 -2.780 1.00 54.53 H new ATOM 0 HG2 GLN A 5 9.548 -12.674 -1.247 1.00 60.55 H new ATOM 0 HG3 GLN A 5 10.470 -13.263 -2.615 1.00 60.55 H new ATOM 0 HE21 GLN A 5 8.561 -10.491 -1.393 1.00 41.21 H new ATOM 0 HE22 GLN A 5 9.255 -9.295 -2.493 1.00 41.21 H new ATOM 85 N LEU A 6 7.973 -10.721 -5.131 1.00 23.12 N ATOM 86 CA LEU A 6 7.532 -9.331 -5.331 1.00 43.34 C ATOM 87 C LEU A 6 6.309 -9.279 -6.265 1.00 54.14 C ATOM 88 O LEU A 6 6.336 -9.827 -7.376 1.00 5.12 O ATOM 89 CB LEU A 6 8.719 -8.495 -5.893 1.00 51.13 C ATOM 90 CG LEU A 6 8.450 -6.974 -6.128 1.00 40.12 C ATOM 91 CD1 LEU A 6 8.087 -6.247 -4.820 1.00 54.20 C ATOM 92 CD2 LEU A 6 9.651 -6.305 -6.816 1.00 70.41 C ATOM 0 H LEU A 6 8.927 -10.881 -5.456 1.00 23.12 H new ATOM 0 HA LEU A 6 7.225 -8.902 -4.377 1.00 43.34 H new ATOM 0 HB2 LEU A 6 9.559 -8.591 -5.206 1.00 51.13 H new ATOM 0 HB3 LEU A 6 9.030 -8.937 -6.840 1.00 51.13 H new ATOM 0 HG LEU A 6 7.588 -6.895 -6.791 1.00 40.12 H new ATOM 0 HD11 LEU A 6 7.908 -5.192 -5.028 1.00 54.20 H new ATOM 0 HD12 LEU A 6 7.187 -6.691 -4.395 1.00 54.20 H new ATOM 0 HD13 LEU A 6 8.909 -6.343 -4.110 1.00 54.20 H new ATOM 0 HD21 LEU A 6 9.440 -5.247 -6.969 1.00 70.41 H new ATOM 0 HD22 LEU A 6 10.536 -6.411 -6.188 1.00 70.41 H new ATOM 0 HD23 LEU A 6 9.830 -6.782 -7.780 1.00 70.41 H new ATOM 104 N LEU A 7 5.254 -8.606 -5.798 1.00 61.21 N ATOM 105 CA LEU A 7 3.903 -8.725 -6.365 1.00 4.34 C ATOM 106 C LEU A 7 3.071 -7.470 -6.086 1.00 54.04 C ATOM 107 O LEU A 7 3.497 -6.580 -5.349 1.00 11.30 O ATOM 108 CB LEU A 7 3.201 -10.027 -5.813 1.00 41.21 C ATOM 109 CG LEU A 7 2.769 -10.114 -4.277 1.00 50.10 C ATOM 110 CD1 LEU A 7 3.698 -9.354 -3.301 1.00 32.24 C ATOM 111 CD2 LEU A 7 1.301 -9.720 -4.046 1.00 21.34 C ATOM 0 H LEU A 7 5.311 -7.959 -5.012 1.00 61.21 H new ATOM 0 HA LEU A 7 3.984 -8.815 -7.448 1.00 4.34 H new ATOM 0 HB2 LEU A 7 2.304 -10.190 -6.411 1.00 41.21 H new ATOM 0 HB3 LEU A 7 3.871 -10.864 -6.009 1.00 41.21 H new ATOM 0 HG LEU A 7 2.880 -11.172 -4.039 1.00 50.10 H new ATOM 0 HD11 LEU A 7 3.327 -9.469 -2.282 1.00 32.24 H new ATOM 0 HD12 LEU A 7 4.707 -9.761 -3.368 1.00 32.24 H new ATOM 0 HD13 LEU A 7 3.715 -8.296 -3.564 1.00 32.24 H new ATOM 0 HD21 LEU A 7 1.066 -9.799 -2.985 1.00 21.34 H new ATOM 0 HD22 LEU A 7 1.143 -8.694 -4.378 1.00 21.34 H new ATOM 0 HD23 LEU A 7 0.652 -10.388 -4.612 1.00 21.34 H new ATOM 123 N HIS A 8 1.874 -7.437 -6.670 1.00 52.10 N ATOM 124 CA HIS A 8 0.917 -6.337 -6.497 1.00 53.53 C ATOM 125 C HIS A 8 0.216 -6.481 -5.137 1.00 52.22 C ATOM 126 O HIS A 8 -0.679 -7.315 -4.998 1.00 22.52 O ATOM 127 CB HIS A 8 -0.115 -6.355 -7.653 1.00 75.34 C ATOM 128 CG HIS A 8 0.470 -6.146 -9.035 1.00 33.45 C ATOM 129 ND1 HIS A 8 -0.308 -5.864 -10.135 1.00 34.03 N ATOM 130 CD2 HIS A 8 1.745 -6.217 -9.499 1.00 44.42 C ATOM 131 CE1 HIS A 8 0.457 -5.779 -11.204 1.00 71.03 C ATOM 132 NE2 HIS A 8 1.703 -5.990 -10.847 1.00 2.52 N ATOM 0 H HIS A 8 1.535 -8.178 -7.283 1.00 52.10 H new ATOM 0 HA HIS A 8 1.442 -5.382 -6.521 1.00 53.53 H new ATOM 0 HB2 HIS A 8 -0.639 -7.310 -7.637 1.00 75.34 H new ATOM 0 HB3 HIS A 8 -0.859 -5.580 -7.468 1.00 75.34 H new ATOM 0 HD2 HIS A 8 2.629 -6.416 -8.911 1.00 44.42 H new ATOM 0 HE1 HIS A 8 0.116 -5.570 -12.207 1.00 71.03 H new ATOM 0 HE2 HIS A 8 2.508 -5.985 -11.473 1.00 2.52 H new ATOM 141 N ILE A 9 0.665 -5.702 -4.133 1.00 71.54 N ATOM 142 CA ILE A 9 0.159 -5.811 -2.745 1.00 32.03 C ATOM 143 C ILE A 9 -1.308 -5.350 -2.647 1.00 40.21 C ATOM 144 O ILE A 9 -1.800 -4.610 -3.501 1.00 14.33 O ATOM 145 CB ILE A 9 1.041 -4.991 -1.726 1.00 73.10 C ATOM 146 CG1 ILE A 9 0.941 -3.452 -2.004 1.00 11.14 C ATOM 147 CG2 ILE A 9 2.510 -5.479 -1.761 1.00 53.00 C ATOM 148 CD1 ILE A 9 1.746 -2.567 -1.062 1.00 30.23 C ATOM 0 H ILE A 9 1.381 -4.986 -4.256 1.00 71.54 H new ATOM 0 HA ILE A 9 0.220 -6.866 -2.476 1.00 32.03 H new ATOM 0 HB ILE A 9 0.654 -5.166 -0.722 1.00 73.10 H new ATOM 0 HG12 ILE A 9 1.271 -3.262 -3.025 1.00 11.14 H new ATOM 0 HG13 ILE A 9 -0.107 -3.157 -1.947 1.00 11.14 H new ATOM 0 HG21 ILE A 9 3.102 -4.901 -1.051 1.00 53.00 H new ATOM 0 HG22 ILE A 9 2.549 -6.535 -1.492 1.00 53.00 H new ATOM 0 HG23 ILE A 9 2.914 -5.345 -2.764 1.00 53.00 H new ATOM 0 HD11 ILE A 9 1.609 -1.522 -1.339 1.00 30.23 H new ATOM 0 HD12 ILE A 9 1.404 -2.719 -0.038 1.00 30.23 H new ATOM 0 HD13 ILE A 9 2.802 -2.826 -1.133 1.00 30.23 H new ATOM 160 N VAL A 10 -1.979 -5.771 -1.577 1.00 31.24 N ATOM 161 CA VAL A 10 -3.417 -5.529 -1.360 1.00 44.12 C ATOM 162 C VAL A 10 -3.637 -4.518 -0.229 1.00 60.42 C ATOM 163 O VAL A 10 -3.059 -4.628 0.861 1.00 12.22 O ATOM 164 CB VAL A 10 -4.182 -6.878 -1.064 1.00 51.53 C ATOM 165 CG1 VAL A 10 -4.486 -7.630 -2.371 1.00 40.55 C ATOM 166 CG2 VAL A 10 -3.371 -7.778 -0.096 1.00 11.30 C ATOM 0 H VAL A 10 -1.540 -6.298 -0.822 1.00 31.24 H new ATOM 0 HA VAL A 10 -3.826 -5.106 -2.277 1.00 44.12 H new ATOM 0 HB VAL A 10 -5.127 -6.627 -0.582 1.00 51.53 H new ATOM 0 HG11 VAL A 10 -5.013 -8.556 -2.144 1.00 40.55 H new ATOM 0 HG12 VAL A 10 -5.108 -7.007 -3.013 1.00 40.55 H new ATOM 0 HG13 VAL A 10 -3.552 -7.861 -2.884 1.00 40.55 H new ATOM 0 HG21 VAL A 10 -3.921 -8.700 0.090 1.00 11.30 H new ATOM 0 HG22 VAL A 10 -2.406 -8.016 -0.543 1.00 11.30 H new ATOM 0 HG23 VAL A 10 -3.215 -7.252 0.846 1.00 11.30 H new ATOM 176 N VAL A 11 -4.479 -3.528 -0.519 1.00 72.23 N ATOM 177 CA VAL A 11 -4.815 -2.422 0.399 1.00 52.25 C ATOM 178 C VAL A 11 -6.343 -2.234 0.457 1.00 44.34 C ATOM 179 O VAL A 11 -7.087 -2.872 -0.292 1.00 11.15 O ATOM 180 CB VAL A 11 -4.132 -1.067 -0.048 1.00 71.10 C ATOM 181 CG1 VAL A 11 -2.585 -1.177 -0.034 1.00 31.02 C ATOM 182 CG2 VAL A 11 -4.649 -0.611 -1.441 1.00 75.30 C ATOM 0 H VAL A 11 -4.961 -3.464 -1.416 1.00 72.23 H new ATOM 0 HA VAL A 11 -4.436 -2.683 1.387 1.00 52.25 H new ATOM 0 HB VAL A 11 -4.412 -0.305 0.679 1.00 71.10 H new ATOM 0 HG11 VAL A 11 -2.150 -0.228 -0.347 1.00 31.02 H new ATOM 0 HG12 VAL A 11 -2.246 -1.417 0.974 1.00 31.02 H new ATOM 0 HG13 VAL A 11 -2.270 -1.964 -0.720 1.00 31.02 H new ATOM 0 HG21 VAL A 11 -4.162 0.323 -1.722 1.00 75.30 H new ATOM 0 HG22 VAL A 11 -4.421 -1.377 -2.182 1.00 75.30 H new ATOM 0 HG23 VAL A 11 -5.727 -0.459 -1.397 1.00 75.30 H new ATOM 192 N GLY A 12 -6.799 -1.398 1.391 1.00 53.31 N ATOM 193 CA GLY A 12 -8.185 -0.935 1.398 1.00 52.32 C ATOM 194 C GLY A 12 -8.489 -0.037 2.577 1.00 54.14 C ATOM 195 O GLY A 12 -7.663 0.810 2.936 1.00 24.23 O ATOM 0 H GLY A 12 -6.228 -1.029 2.151 1.00 53.31 H new ATOM 0 HA2 GLY A 12 -8.390 -0.396 0.473 1.00 52.32 H new ATOM 0 HA3 GLY A 12 -8.853 -1.796 1.420 1.00 52.32 H new ATOM 199 N GLY A 13 -9.681 -0.213 3.167 1.00 53.32 N ATOM 200 CA GLY A 13 -10.124 0.564 4.325 1.00 3.20 C ATOM 201 C GLY A 13 -11.366 1.362 4.005 1.00 64.54 C ATOM 202 O GLY A 13 -11.966 1.165 2.938 1.00 64.04 O ATOM 0 H GLY A 13 -10.364 -0.901 2.850 1.00 53.32 H new ATOM 0 HA2 GLY A 13 -10.325 -0.106 5.161 1.00 3.20 H new ATOM 0 HA3 GLY A 13 -9.327 1.237 4.641 1.00 3.20 H new ATOM 206 N GLU A 14 -11.760 2.279 4.909 1.00 61.04 N ATOM 207 CA GLU A 14 -12.997 3.056 4.740 1.00 4.10 C ATOM 208 C GLU A 14 -12.756 4.267 3.855 1.00 3.32 C ATOM 209 O GLU A 14 -11.922 5.138 4.149 1.00 5.24 O ATOM 210 CB GLU A 14 -13.678 3.456 6.082 1.00 20.14 C ATOM 211 CG GLU A 14 -14.637 2.364 6.612 1.00 52.41 C ATOM 212 CD GLU A 14 -15.730 2.891 7.549 1.00 34.23 C ATOM 213 OE1 GLU A 14 -16.629 3.623 7.071 1.00 13.01 O ATOM 214 OE2 GLU A 14 -15.718 2.569 8.750 1.00 44.21 O ATOM 0 H GLU A 14 -11.240 2.497 5.759 1.00 61.04 H new ATOM 0 HA GLU A 14 -13.706 2.394 4.243 1.00 4.10 H new ATOM 0 HB2 GLU A 14 -12.910 3.654 6.830 1.00 20.14 H new ATOM 0 HB3 GLU A 14 -14.232 4.384 5.941 1.00 20.14 H new ATOM 0 HG2 GLU A 14 -15.109 1.867 5.764 1.00 52.41 H new ATOM 0 HG3 GLU A 14 -14.054 1.609 7.140 1.00 52.41 H new ATOM 221 N LEU A 15 -13.499 4.274 2.755 1.00 33.34 N ATOM 222 CA LEU A 15 -13.499 5.340 1.765 1.00 64.10 C ATOM 223 C LEU A 15 -14.643 6.308 2.078 1.00 65.30 C ATOM 224 O LEU A 15 -15.330 6.155 3.087 1.00 73.45 O ATOM 225 CB LEU A 15 -13.638 4.726 0.348 1.00 45.34 C ATOM 226 CG LEU A 15 -12.655 3.557 -0.006 1.00 33.01 C ATOM 227 CD1 LEU A 15 -12.619 3.313 -1.512 1.00 72.11 C ATOM 228 CD2 LEU A 15 -11.234 3.781 0.540 1.00 25.15 C ATOM 0 H LEU A 15 -14.137 3.514 2.522 1.00 33.34 H new ATOM 0 HA LEU A 15 -12.562 5.896 1.797 1.00 64.10 H new ATOM 0 HB2 LEU A 15 -14.658 4.361 0.233 1.00 45.34 H new ATOM 0 HB3 LEU A 15 -13.500 5.522 -0.384 1.00 45.34 H new ATOM 0 HG LEU A 15 -13.045 2.667 0.488 1.00 33.01 H new ATOM 0 HD11 LEU A 15 -11.930 2.498 -1.732 1.00 72.11 H new ATOM 0 HD12 LEU A 15 -13.617 3.049 -1.862 1.00 72.11 H new ATOM 0 HD13 LEU A 15 -12.284 4.218 -2.019 1.00 72.11 H new ATOM 0 HD21 LEU A 15 -10.601 2.938 0.263 1.00 25.15 H new ATOM 0 HD22 LEU A 15 -10.823 4.698 0.119 1.00 25.15 H new ATOM 0 HD23 LEU A 15 -11.271 3.865 1.626 1.00 25.15 H new ATOM 240 N LYS A 16 -14.822 7.327 1.245 1.00 63.14 N ATOM 241 CA LYS A 16 -15.886 8.328 1.446 1.00 44.40 C ATOM 242 C LYS A 16 -17.255 7.775 1.022 1.00 45.22 C ATOM 243 O LYS A 16 -18.290 8.162 1.579 1.00 23.44 O ATOM 244 CB LYS A 16 -15.526 9.626 0.685 1.00 62.24 C ATOM 245 CG LYS A 16 -14.372 10.405 1.349 1.00 13.21 C ATOM 246 CD LYS A 16 -13.846 11.570 0.496 1.00 34.23 C ATOM 247 CE LYS A 16 -12.805 12.409 1.261 1.00 2.51 C ATOM 248 NZ LYS A 16 -11.842 11.581 2.030 1.00 43.40 N ATOM 0 H LYS A 16 -14.247 7.490 0.419 1.00 63.14 H new ATOM 0 HA LYS A 16 -15.960 8.563 2.508 1.00 44.40 H new ATOM 0 HB2 LYS A 16 -15.249 9.377 -0.339 1.00 62.24 H new ATOM 0 HB3 LYS A 16 -16.407 10.266 0.630 1.00 62.24 H new ATOM 0 HG2 LYS A 16 -14.712 10.793 2.309 1.00 13.21 H new ATOM 0 HG3 LYS A 16 -13.552 9.717 1.555 1.00 13.21 H new ATOM 0 HD2 LYS A 16 -13.399 11.179 -0.418 1.00 34.23 H new ATOM 0 HD3 LYS A 16 -14.678 12.207 0.196 1.00 34.23 H new ATOM 0 HE2 LYS A 16 -12.257 13.030 0.553 1.00 2.51 H new ATOM 0 HE3 LYS A 16 -13.321 13.084 1.944 1.00 2.51 H new ATOM 0 HZ1 LYS A 16 -11.337 12.181 2.714 1.00 43.40 H new ATOM 0 HZ2 LYS A 16 -12.356 10.833 2.539 1.00 43.40 H new ATOM 0 HZ3 LYS A 16 -11.158 11.148 1.377 1.00 43.40 H new ATOM 262 N ASP A 17 -17.231 6.841 0.066 1.00 74.33 N ATOM 263 CA ASP A 17 -18.440 6.241 -0.516 1.00 75.43 C ATOM 264 C ASP A 17 -18.071 4.903 -1.198 1.00 54.10 C ATOM 265 O ASP A 17 -16.885 4.602 -1.386 1.00 64.34 O ATOM 266 CB ASP A 17 -19.095 7.265 -1.505 1.00 54.55 C ATOM 267 CG ASP A 17 -20.279 6.717 -2.315 1.00 3.35 C ATOM 268 OD1 ASP A 17 -21.338 6.425 -1.716 1.00 5.04 O ATOM 269 OD2 ASP A 17 -20.139 6.526 -3.539 1.00 2.41 O ATOM 0 H ASP A 17 -16.365 6.476 -0.330 1.00 74.33 H new ATOM 0 HA ASP A 17 -19.175 6.016 0.257 1.00 75.43 H new ATOM 0 HB2 ASP A 17 -19.433 8.131 -0.936 1.00 54.55 H new ATOM 0 HB3 ASP A 17 -18.331 7.617 -2.199 1.00 54.55 H new ATOM 274 N VAL A 18 -19.103 4.106 -1.535 1.00 11.34 N ATOM 275 CA VAL A 18 -18.959 2.818 -2.236 1.00 70.52 C ATOM 276 C VAL A 18 -18.248 2.979 -3.605 1.00 72.32 C ATOM 277 O VAL A 18 -17.411 2.151 -3.982 1.00 12.25 O ATOM 278 CB VAL A 18 -20.365 2.133 -2.418 1.00 33.32 C ATOM 279 CG1 VAL A 18 -20.976 1.753 -1.044 1.00 23.55 C ATOM 280 CG2 VAL A 18 -21.351 3.021 -3.226 1.00 34.32 C ATOM 0 H VAL A 18 -20.073 4.343 -1.325 1.00 11.34 H new ATOM 0 HA VAL A 18 -18.330 2.177 -1.619 1.00 70.52 H new ATOM 0 HB VAL A 18 -20.203 1.222 -2.994 1.00 33.32 H new ATOM 0 HG11 VAL A 18 -21.947 1.281 -1.195 1.00 23.55 H new ATOM 0 HG12 VAL A 18 -20.312 1.059 -0.530 1.00 23.55 H new ATOM 0 HG13 VAL A 18 -21.099 2.652 -0.440 1.00 23.55 H new ATOM 0 HG21 VAL A 18 -22.307 2.506 -3.325 1.00 34.32 H new ATOM 0 HG22 VAL A 18 -21.501 3.966 -2.704 1.00 34.32 H new ATOM 0 HG23 VAL A 18 -20.939 3.214 -4.216 1.00 34.32 H new ATOM 290 N ALA A 19 -18.611 4.047 -4.334 1.00 0.41 N ATOM 291 CA ALA A 19 -17.972 4.437 -5.603 1.00 14.12 C ATOM 292 C ALA A 19 -16.882 5.487 -5.343 1.00 75.24 C ATOM 293 O ALA A 19 -15.904 5.580 -6.097 1.00 4.22 O ATOM 294 CB ALA A 19 -19.029 4.979 -6.577 1.00 3.42 C ATOM 0 H ALA A 19 -19.367 4.673 -4.055 1.00 0.41 H new ATOM 0 HA ALA A 19 -17.505 3.561 -6.053 1.00 14.12 H new ATOM 0 HB1 ALA A 19 -18.549 5.265 -7.513 1.00 3.42 H new ATOM 0 HB2 ALA A 19 -19.773 4.207 -6.772 1.00 3.42 H new ATOM 0 HB3 ALA A 19 -19.516 5.850 -6.138 1.00 3.42 H new ATOM 300 N GLY A 20 -17.083 6.273 -4.259 1.00 41.25 N ATOM 301 CA GLY A 20 -16.162 7.339 -3.849 1.00 15.32 C ATOM 302 C GLY A 20 -14.835 6.791 -3.340 1.00 40.51 C ATOM 303 O GLY A 20 -14.694 6.511 -2.142 1.00 70.21 O ATOM 0 H GLY A 20 -17.894 6.179 -3.648 1.00 41.25 H new ATOM 0 HA2 GLY A 20 -15.979 8.003 -4.694 1.00 15.32 H new ATOM 0 HA3 GLY A 20 -16.629 7.939 -3.068 1.00 15.32 H new ATOM 307 N VAL A 21 -13.849 6.700 -4.254 1.00 74.40 N ATOM 308 CA VAL A 21 -12.603 5.915 -4.059 1.00 20.04 C ATOM 309 C VAL A 21 -11.534 6.661 -3.194 1.00 61.23 C ATOM 310 O VAL A 21 -10.423 6.158 -2.962 1.00 63.33 O ATOM 311 CB VAL A 21 -12.019 5.469 -5.466 1.00 1.20 C ATOM 312 CG1 VAL A 21 -11.283 6.623 -6.186 1.00 54.15 C ATOM 313 CG2 VAL A 21 -11.135 4.200 -5.353 1.00 33.32 C ATOM 0 H VAL A 21 -13.890 7.171 -5.158 1.00 74.40 H new ATOM 0 HA VAL A 21 -12.864 5.024 -3.488 1.00 20.04 H new ATOM 0 HB VAL A 21 -12.874 5.206 -6.089 1.00 1.20 H new ATOM 0 HG11 VAL A 21 -10.901 6.270 -7.144 1.00 54.15 H new ATOM 0 HG12 VAL A 21 -11.976 7.448 -6.354 1.00 54.15 H new ATOM 0 HG13 VAL A 21 -10.453 6.966 -5.569 1.00 54.15 H new ATOM 0 HG21 VAL A 21 -10.757 3.931 -6.339 1.00 33.32 H new ATOM 0 HG22 VAL A 21 -10.297 4.399 -4.685 1.00 33.32 H new ATOM 0 HG23 VAL A 21 -11.729 3.377 -4.955 1.00 33.32 H new ATOM 323 N GLU A 22 -11.915 7.837 -2.689 1.00 1.40 N ATOM 324 CA GLU A 22 -11.068 8.674 -1.824 1.00 43.35 C ATOM 325 C GLU A 22 -11.200 8.216 -0.365 1.00 43.45 C ATOM 326 O GLU A 22 -12.306 7.943 0.096 1.00 34.03 O ATOM 327 CB GLU A 22 -11.455 10.164 -1.957 1.00 62.44 C ATOM 328 CG GLU A 22 -11.239 10.768 -3.360 1.00 51.12 C ATOM 329 CD GLU A 22 -11.062 12.297 -3.325 1.00 40.12 C ATOM 330 OE1 GLU A 22 -10.163 12.769 -2.601 1.00 32.23 O ATOM 331 OE2 GLU A 22 -11.785 13.022 -4.038 1.00 74.15 O ATOM 0 H GLU A 22 -12.833 8.244 -2.870 1.00 1.40 H new ATOM 0 HA GLU A 22 -10.030 8.563 -2.139 1.00 43.35 H new ATOM 0 HB2 GLU A 22 -12.505 10.277 -1.686 1.00 62.44 H new ATOM 0 HB3 GLU A 22 -10.876 10.741 -1.236 1.00 62.44 H new ATOM 0 HG2 GLU A 22 -10.359 10.314 -3.815 1.00 51.12 H new ATOM 0 HG3 GLU A 22 -12.090 10.519 -3.994 1.00 51.12 H new ATOM 338 N PHE A 23 -10.064 8.156 0.348 1.00 32.32 N ATOM 339 CA PHE A 23 -10.000 7.632 1.728 1.00 1.23 C ATOM 340 C PHE A 23 -10.630 8.630 2.719 1.00 75.24 C ATOM 341 O PHE A 23 -10.065 9.703 2.955 1.00 11.24 O ATOM 342 CB PHE A 23 -8.531 7.338 2.147 1.00 14.25 C ATOM 343 CG PHE A 23 -7.714 6.543 1.121 1.00 15.01 C ATOM 344 CD1 PHE A 23 -8.176 5.329 0.628 1.00 31.25 C ATOM 345 CD2 PHE A 23 -6.479 7.003 0.666 1.00 43.04 C ATOM 346 CE1 PHE A 23 -7.440 4.600 -0.285 1.00 11.50 C ATOM 347 CE2 PHE A 23 -5.742 6.276 -0.245 1.00 71.35 C ATOM 348 CZ PHE A 23 -6.226 5.073 -0.720 1.00 53.35 C ATOM 0 H PHE A 23 -9.163 8.468 -0.013 1.00 32.32 H new ATOM 0 HA PHE A 23 -10.564 6.700 1.753 1.00 1.23 H new ATOM 0 HB2 PHE A 23 -8.026 8.285 2.337 1.00 14.25 H new ATOM 0 HB3 PHE A 23 -8.540 6.788 3.088 1.00 14.25 H new ATOM 0 HD1 PHE A 23 -9.129 4.948 0.965 1.00 31.25 H new ATOM 0 HD2 PHE A 23 -6.094 7.943 1.033 1.00 43.04 H new ATOM 0 HE1 PHE A 23 -7.818 3.659 -0.657 1.00 11.50 H new ATOM 0 HE2 PHE A 23 -4.787 6.647 -0.587 1.00 71.35 H new ATOM 0 HZ PHE A 23 -5.650 4.504 -1.434 1.00 53.35 H new ATOM 358 N ARG A 24 -11.825 8.268 3.233 1.00 20.32 N ATOM 359 CA ARG A 24 -12.549 8.957 4.334 1.00 40.42 C ATOM 360 C ARG A 24 -11.607 9.463 5.425 1.00 33.12 C ATOM 361 O ARG A 24 -11.687 10.621 5.849 1.00 34.35 O ATOM 362 CB ARG A 24 -13.567 7.970 4.959 1.00 73.13 C ATOM 363 CG ARG A 24 -14.508 8.539 6.039 1.00 41.11 C ATOM 364 CD ARG A 24 -15.506 7.476 6.549 1.00 71.43 C ATOM 365 NE ARG A 24 -16.580 8.068 7.367 1.00 23.02 N ATOM 366 CZ ARG A 24 -17.373 7.398 8.218 1.00 30.23 C ATOM 367 NH1 ARG A 24 -17.242 6.087 8.408 1.00 23.05 N ATOM 368 NH2 ARG A 24 -18.338 8.044 8.850 1.00 41.44 N ATOM 0 H ARG A 24 -12.335 7.457 2.882 1.00 20.32 H new ATOM 0 HA ARG A 24 -13.053 9.825 3.908 1.00 40.42 H new ATOM 0 HB2 ARG A 24 -14.179 7.559 4.156 1.00 73.13 H new ATOM 0 HB3 ARG A 24 -13.012 7.139 5.394 1.00 73.13 H new ATOM 0 HG2 ARG A 24 -13.917 8.913 6.875 1.00 41.11 H new ATOM 0 HG3 ARG A 24 -15.058 9.388 5.632 1.00 41.11 H new ATOM 0 HD2 ARG A 24 -15.945 6.954 5.698 1.00 71.43 H new ATOM 0 HD3 ARG A 24 -14.971 6.731 7.138 1.00 71.43 H new ATOM 0 HE ARG A 24 -16.734 9.072 7.279 1.00 23.02 H new ATOM 0 HH11 ARG A 24 -16.526 5.567 7.901 1.00 23.05 H new ATOM 0 HH12 ARG A 24 -17.858 5.602 9.061 1.00 23.05 H new ATOM 0 HH21 ARG A 24 -18.474 9.042 8.689 1.00 41.44 H new ATOM 0 HH22 ARG A 24 -18.946 7.544 9.499 1.00 41.44 H new ATOM 382 N ASP A 25 -10.706 8.573 5.851 1.00 65.43 N ATOM 383 CA ASP A 25 -9.715 8.865 6.876 1.00 2.33 C ATOM 384 C ASP A 25 -8.532 7.905 6.702 1.00 54.24 C ATOM 385 O ASP A 25 -8.712 6.687 6.565 1.00 43.53 O ATOM 386 CB ASP A 25 -10.354 8.744 8.276 1.00 44.35 C ATOM 387 CG ASP A 25 -9.412 9.130 9.423 1.00 33.32 C ATOM 388 OD1 ASP A 25 -9.261 10.338 9.699 1.00 75.44 O ATOM 389 OD2 ASP A 25 -8.821 8.236 10.049 1.00 10.31 O ATOM 0 H ASP A 25 -10.648 7.622 5.487 1.00 65.43 H new ATOM 0 HA ASP A 25 -9.350 9.887 6.775 1.00 2.33 H new ATOM 0 HB2 ASP A 25 -11.240 9.378 8.317 1.00 44.35 H new ATOM 0 HB3 ASP A 25 -10.690 7.718 8.424 1.00 44.35 H new ATOM 394 N LEU A 26 -7.326 8.484 6.701 1.00 70.55 N ATOM 395 CA LEU A 26 -6.061 7.790 6.437 1.00 61.41 C ATOM 396 C LEU A 26 -5.580 6.943 7.631 1.00 2.21 C ATOM 397 O LEU A 26 -4.541 6.285 7.539 1.00 43.34 O ATOM 398 CB LEU A 26 -4.994 8.845 6.029 1.00 70.43 C ATOM 399 CG LEU A 26 -5.204 9.536 4.639 1.00 31.33 C ATOM 400 CD1 LEU A 26 -5.229 8.493 3.517 1.00 45.21 C ATOM 401 CD2 LEU A 26 -6.444 10.466 4.576 1.00 62.45 C ATOM 0 H LEU A 26 -7.200 9.478 6.890 1.00 70.55 H new ATOM 0 HA LEU A 26 -6.221 7.083 5.623 1.00 61.41 H new ATOM 0 HB2 LEU A 26 -4.966 9.619 6.796 1.00 70.43 H new ATOM 0 HB3 LEU A 26 -4.017 8.362 6.028 1.00 70.43 H new ATOM 0 HG LEU A 26 -4.346 10.193 4.495 1.00 31.33 H new ATOM 0 HD11 LEU A 26 -5.376 8.992 2.559 1.00 45.21 H new ATOM 0 HD12 LEU A 26 -4.283 7.951 3.503 1.00 45.21 H new ATOM 0 HD13 LEU A 26 -6.046 7.792 3.690 1.00 45.21 H new ATOM 0 HD21 LEU A 26 -6.519 10.906 3.581 1.00 62.45 H new ATOM 0 HD22 LEU A 26 -7.344 9.888 4.786 1.00 62.45 H new ATOM 0 HD23 LEU A 26 -6.342 11.259 5.316 1.00 62.45 H new ATOM 413 N SER A 27 -6.326 6.975 8.744 1.00 44.10 N ATOM 414 CA SER A 27 -6.091 6.089 9.900 1.00 64.04 C ATOM 415 C SER A 27 -7.163 4.978 9.932 1.00 15.31 C ATOM 416 O SER A 27 -6.951 3.913 10.524 1.00 12.43 O ATOM 417 CB SER A 27 -6.092 6.916 11.205 1.00 21.21 C ATOM 418 OG SER A 27 -5.234 8.042 11.095 1.00 11.20 O ATOM 0 H SER A 27 -7.110 7.615 8.871 1.00 44.10 H new ATOM 0 HA SER A 27 -5.115 5.613 9.806 1.00 64.04 H new ATOM 0 HB2 SER A 27 -7.106 7.248 11.429 1.00 21.21 H new ATOM 0 HB3 SER A 27 -5.771 6.289 12.037 1.00 21.21 H new ATOM 0 HG SER A 27 -5.253 8.551 11.932 1.00 11.20 H new ATOM 424 N LYS A 28 -8.317 5.235 9.267 1.00 54.42 N ATOM 425 CA LYS A 28 -9.397 4.235 9.083 1.00 63.22 C ATOM 426 C LYS A 28 -9.127 3.337 7.851 1.00 50.14 C ATOM 427 O LYS A 28 -9.972 2.500 7.494 1.00 74.01 O ATOM 428 CB LYS A 28 -10.786 4.924 8.935 1.00 73.22 C ATOM 429 CG LYS A 28 -11.237 5.777 10.140 1.00 24.44 C ATOM 430 CD LYS A 28 -11.392 4.971 11.445 1.00 4.12 C ATOM 431 CE LYS A 28 -11.994 5.812 12.584 1.00 13.44 C ATOM 432 NZ LYS A 28 -12.209 5.002 13.812 1.00 72.23 N ATOM 0 H LYS A 28 -8.524 6.140 8.844 1.00 54.42 H new ATOM 0 HA LYS A 28 -9.409 3.610 9.976 1.00 63.22 H new ATOM 0 HB2 LYS A 28 -10.764 5.560 8.050 1.00 73.22 H new ATOM 0 HB3 LYS A 28 -11.537 4.154 8.756 1.00 73.22 H new ATOM 0 HG2 LYS A 28 -10.513 6.576 10.300 1.00 24.44 H new ATOM 0 HG3 LYS A 28 -12.188 6.253 9.902 1.00 24.44 H new ATOM 0 HD2 LYS A 28 -12.028 4.105 11.261 1.00 4.12 H new ATOM 0 HD3 LYS A 28 -10.418 4.591 11.753 1.00 4.12 H new ATOM 0 HE2 LYS A 28 -11.330 6.646 12.810 1.00 13.44 H new ATOM 0 HE3 LYS A 28 -12.943 6.239 12.259 1.00 13.44 H new ATOM 0 HZ1 LYS A 28 -12.616 5.603 14.557 1.00 72.23 H new ATOM 0 HZ2 LYS A 28 -12.862 4.220 13.602 1.00 72.23 H new ATOM 0 HZ3 LYS A 28 -11.300 4.616 14.137 1.00 72.23 H new ATOM 446 N VAL A 29 -7.964 3.534 7.190 1.00 33.01 N ATOM 447 CA VAL A 29 -7.492 2.638 6.116 1.00 71.10 C ATOM 448 C VAL A 29 -7.105 1.270 6.702 1.00 55.43 C ATOM 449 O VAL A 29 -6.755 1.157 7.892 1.00 42.03 O ATOM 450 CB VAL A 29 -6.283 3.234 5.295 1.00 23.43 C ATOM 451 CG1 VAL A 29 -6.688 4.547 4.585 1.00 34.02 C ATOM 452 CG2 VAL A 29 -5.032 3.429 6.184 1.00 61.34 C ATOM 0 H VAL A 29 -7.333 4.311 7.385 1.00 33.01 H new ATOM 0 HA VAL A 29 -8.321 2.525 5.417 1.00 71.10 H new ATOM 0 HB VAL A 29 -6.017 2.510 4.525 1.00 23.43 H new ATOM 0 HG11 VAL A 29 -5.837 4.936 4.027 1.00 34.02 H new ATOM 0 HG12 VAL A 29 -7.512 4.351 3.899 1.00 34.02 H new ATOM 0 HG13 VAL A 29 -7.001 5.281 5.328 1.00 34.02 H new ATOM 0 HG21 VAL A 29 -4.220 3.841 5.584 1.00 61.34 H new ATOM 0 HG22 VAL A 29 -5.267 4.116 6.997 1.00 61.34 H new ATOM 0 HG23 VAL A 29 -4.726 2.468 6.598 1.00 61.34 H new ATOM 462 N GLU A 30 -7.179 0.242 5.860 1.00 21.23 N ATOM 463 CA GLU A 30 -6.892 -1.134 6.251 1.00 62.43 C ATOM 464 C GLU A 30 -6.066 -1.800 5.153 1.00 4.30 C ATOM 465 O GLU A 30 -6.596 -2.210 4.112 1.00 20.22 O ATOM 466 CB GLU A 30 -8.205 -1.911 6.503 1.00 63.05 C ATOM 467 CG GLU A 30 -7.992 -3.345 7.027 1.00 74.34 C ATOM 468 CD GLU A 30 -9.314 -4.067 7.333 1.00 24.11 C ATOM 469 OE1 GLU A 30 -10.133 -3.532 8.112 1.00 41.40 O ATOM 470 OE2 GLU A 30 -9.544 -5.168 6.792 1.00 23.24 O ATOM 0 H GLU A 30 -7.442 0.342 4.880 1.00 21.23 H new ATOM 0 HA GLU A 30 -6.323 -1.139 7.180 1.00 62.43 H new ATOM 0 HB2 GLU A 30 -8.810 -1.358 7.222 1.00 63.05 H new ATOM 0 HB3 GLU A 30 -8.774 -1.955 5.574 1.00 63.05 H new ATOM 0 HG2 GLU A 30 -7.432 -3.918 6.288 1.00 74.34 H new ATOM 0 HG3 GLU A 30 -7.384 -3.311 7.931 1.00 74.34 H new ATOM 477 N PHE A 31 -4.758 -1.856 5.381 1.00 53.41 N ATOM 478 CA PHE A 31 -3.820 -2.551 4.496 1.00 33.04 C ATOM 479 C PHE A 31 -4.047 -4.056 4.663 1.00 54.53 C ATOM 480 O PHE A 31 -3.715 -4.627 5.711 1.00 11.40 O ATOM 481 CB PHE A 31 -2.356 -2.167 4.831 1.00 42.12 C ATOM 482 CG PHE A 31 -2.089 -0.665 4.757 1.00 63.25 C ATOM 483 CD1 PHE A 31 -1.895 -0.035 3.530 1.00 15.43 C ATOM 484 CD2 PHE A 31 -2.034 0.117 5.914 1.00 22.12 C ATOM 485 CE1 PHE A 31 -1.659 1.321 3.464 1.00 64.54 C ATOM 486 CE2 PHE A 31 -1.798 1.473 5.840 1.00 60.44 C ATOM 487 CZ PHE A 31 -1.609 2.073 4.615 1.00 44.42 C ATOM 0 H PHE A 31 -4.313 -1.419 6.188 1.00 53.41 H new ATOM 0 HA PHE A 31 -3.994 -2.260 3.460 1.00 33.04 H new ATOM 0 HB2 PHE A 31 -2.116 -2.522 5.833 1.00 42.12 H new ATOM 0 HB3 PHE A 31 -1.687 -2.682 4.142 1.00 42.12 H new ATOM 0 HD1 PHE A 31 -1.930 -0.616 2.620 1.00 15.43 H new ATOM 0 HD2 PHE A 31 -2.178 -0.347 6.878 1.00 22.12 H new ATOM 0 HE1 PHE A 31 -1.513 1.795 2.505 1.00 64.54 H new ATOM 0 HE2 PHE A 31 -1.761 2.065 6.743 1.00 60.44 H new ATOM 0 HZ PHE A 31 -1.421 3.135 4.558 1.00 44.42 H new ATOM 497 N VAL A 32 -4.671 -4.667 3.643 1.00 4.12 N ATOM 498 CA VAL A 32 -5.023 -6.098 3.650 1.00 10.20 C ATOM 499 C VAL A 32 -3.747 -6.969 3.771 1.00 75.14 C ATOM 500 O VAL A 32 -3.773 -8.063 4.349 1.00 20.41 O ATOM 501 CB VAL A 32 -5.843 -6.496 2.366 1.00 33.43 C ATOM 502 CG1 VAL A 32 -6.277 -7.987 2.390 1.00 31.24 C ATOM 503 CG2 VAL A 32 -7.061 -5.567 2.177 1.00 13.41 C ATOM 0 H VAL A 32 -4.946 -4.183 2.789 1.00 4.12 H new ATOM 0 HA VAL A 32 -5.656 -6.281 4.518 1.00 10.20 H new ATOM 0 HB VAL A 32 -5.181 -6.369 1.510 1.00 33.43 H new ATOM 0 HG11 VAL A 32 -6.840 -8.217 1.485 1.00 31.24 H new ATOM 0 HG12 VAL A 32 -5.393 -8.623 2.439 1.00 31.24 H new ATOM 0 HG13 VAL A 32 -6.904 -8.170 3.263 1.00 31.24 H new ATOM 0 HG21 VAL A 32 -7.610 -5.864 1.283 1.00 13.41 H new ATOM 0 HG22 VAL A 32 -7.715 -5.643 3.046 1.00 13.41 H new ATOM 0 HG23 VAL A 32 -6.720 -4.537 2.068 1.00 13.41 H new ATOM 513 N GLY A 33 -2.636 -6.447 3.223 1.00 35.32 N ATOM 514 CA GLY A 33 -1.314 -7.040 3.383 1.00 3.14 C ATOM 515 C GLY A 33 -0.611 -7.235 2.050 1.00 31.44 C ATOM 516 O GLY A 33 -0.652 -6.352 1.181 1.00 3.13 O ATOM 0 H GLY A 33 -2.639 -5.599 2.656 1.00 35.32 H new ATOM 0 HA2 GLY A 33 -0.706 -6.401 4.023 1.00 3.14 H new ATOM 0 HA3 GLY A 33 -1.407 -8.002 3.888 1.00 3.14 H new ATOM 520 N ALA A 34 0.049 -8.382 1.913 1.00 44.21 N ATOM 521 CA ALA A 34 0.735 -8.807 0.685 1.00 55.20 C ATOM 522 C ALA A 34 0.827 -10.339 0.683 1.00 73.45 C ATOM 523 O ALA A 34 0.647 -10.973 1.726 1.00 1.54 O ATOM 524 CB ALA A 34 2.123 -8.163 0.597 1.00 44.10 C ATOM 0 H ALA A 34 0.127 -9.062 2.669 1.00 44.21 H new ATOM 0 HA ALA A 34 0.173 -8.482 -0.190 1.00 55.20 H new ATOM 0 HB1 ALA A 34 2.618 -8.488 -0.318 1.00 44.10 H new ATOM 0 HB2 ALA A 34 2.021 -7.078 0.588 1.00 44.10 H new ATOM 0 HB3 ALA A 34 2.719 -8.464 1.458 1.00 44.10 H new ATOM 530 N TYR A 35 1.105 -10.928 -0.486 1.00 4.33 N ATOM 531 CA TYR A 35 1.024 -12.393 -0.702 1.00 21.35 C ATOM 532 C TYR A 35 2.274 -12.908 -1.438 1.00 34.25 C ATOM 533 O TYR A 35 3.057 -12.102 -1.915 1.00 71.12 O ATOM 534 CB TYR A 35 -0.286 -12.695 -1.484 1.00 43.14 C ATOM 535 CG TYR A 35 -1.534 -12.610 -0.596 1.00 71.41 C ATOM 536 CD1 TYR A 35 -1.932 -13.703 0.177 1.00 54.14 C ATOM 537 CD2 TYR A 35 -2.280 -11.438 -0.497 1.00 12.45 C ATOM 538 CE1 TYR A 35 -3.028 -13.627 1.008 1.00 3.52 C ATOM 539 CE2 TYR A 35 -3.378 -11.362 0.330 1.00 31.43 C ATOM 540 CZ TYR A 35 -3.748 -12.456 1.080 1.00 12.21 C ATOM 541 OH TYR A 35 -4.846 -12.378 1.910 1.00 4.24 O ATOM 0 H TYR A 35 1.394 -10.409 -1.315 1.00 4.33 H new ATOM 0 HA TYR A 35 0.996 -12.918 0.253 1.00 21.35 H new ATOM 0 HB2 TYR A 35 -0.383 -11.990 -2.310 1.00 43.14 H new ATOM 0 HB3 TYR A 35 -0.223 -13.691 -1.921 1.00 43.14 H new ATOM 0 HD1 TYR A 35 -1.371 -14.624 0.122 1.00 54.14 H new ATOM 0 HD2 TYR A 35 -1.992 -10.575 -1.079 1.00 12.45 H new ATOM 0 HE1 TYR A 35 -3.321 -14.482 1.600 1.00 3.52 H new ATOM 0 HE2 TYR A 35 -3.948 -10.447 0.390 1.00 31.43 H new ATOM 0 HH TYR A 35 -5.242 -11.484 1.846 1.00 4.24 H new ATOM 551 N PRO A 36 2.512 -14.261 -1.537 1.00 64.44 N ATOM 552 CA PRO A 36 3.679 -14.796 -2.283 1.00 23.00 C ATOM 553 C PRO A 36 3.483 -14.800 -3.820 1.00 21.51 C ATOM 554 O PRO A 36 4.350 -15.308 -4.546 1.00 72.24 O ATOM 555 CB PRO A 36 3.806 -16.232 -1.717 1.00 23.30 C ATOM 556 CG PRO A 36 2.399 -16.637 -1.390 1.00 74.43 C ATOM 557 CD PRO A 36 1.718 -15.369 -0.907 1.00 25.54 C ATOM 0 HA PRO A 36 4.571 -14.184 -2.150 1.00 23.00 H new ATOM 0 HB2 PRO A 36 4.253 -16.907 -2.446 1.00 23.30 H new ATOM 0 HB3 PRO A 36 4.441 -16.254 -0.831 1.00 23.30 H new ATOM 0 HG2 PRO A 36 1.894 -17.045 -2.265 1.00 74.43 H new ATOM 0 HG3 PRO A 36 2.381 -17.410 -0.622 1.00 74.43 H new ATOM 0 HD2 PRO A 36 0.673 -15.336 -1.216 1.00 25.54 H new ATOM 0 HD3 PRO A 36 1.731 -15.300 0.181 1.00 25.54 H new ATOM 565 N SER A 37 2.358 -14.217 -4.300 1.00 43.55 N ATOM 566 CA SER A 37 2.008 -14.175 -5.731 1.00 41.25 C ATOM 567 C SER A 37 0.911 -13.128 -5.996 1.00 20.55 C ATOM 568 O SER A 37 0.120 -12.781 -5.102 1.00 71.23 O ATOM 569 CB SER A 37 1.543 -15.572 -6.221 1.00 72.45 C ATOM 570 OG SER A 37 1.089 -15.549 -7.572 1.00 71.03 O ATOM 0 H SER A 37 1.669 -13.763 -3.700 1.00 43.55 H new ATOM 0 HA SER A 37 2.900 -13.889 -6.287 1.00 41.25 H new ATOM 0 HB2 SER A 37 2.367 -16.279 -6.129 1.00 72.45 H new ATOM 0 HB3 SER A 37 0.741 -15.932 -5.577 1.00 72.45 H new ATOM 0 HG SER A 37 0.808 -16.449 -7.838 1.00 71.03 H new ATOM 576 N TYR A 38 0.881 -12.657 -7.255 1.00 4.31 N ATOM 577 CA TYR A 38 -0.107 -11.701 -7.765 1.00 31.13 C ATOM 578 C TYR A 38 -1.506 -12.326 -7.796 1.00 75.14 C ATOM 579 O TYR A 38 -2.481 -11.644 -7.507 1.00 41.34 O ATOM 580 CB TYR A 38 0.314 -11.221 -9.187 1.00 43.02 C ATOM 581 CG TYR A 38 -0.758 -10.417 -9.958 1.00 55.23 C ATOM 582 CD1 TYR A 38 -1.254 -9.209 -9.465 1.00 21.51 C ATOM 583 CD2 TYR A 38 -1.265 -10.869 -11.183 1.00 33.34 C ATOM 584 CE1 TYR A 38 -2.215 -8.488 -10.153 1.00 32.21 C ATOM 585 CE2 TYR A 38 -2.225 -10.148 -11.872 1.00 42.25 C ATOM 586 CZ TYR A 38 -2.692 -8.961 -11.355 1.00 71.52 C ATOM 587 OH TYR A 38 -3.644 -8.240 -12.042 1.00 32.01 O ATOM 0 H TYR A 38 1.561 -12.940 -7.960 1.00 4.31 H new ATOM 0 HA TYR A 38 -0.142 -10.841 -7.096 1.00 31.13 H new ATOM 0 HB2 TYR A 38 1.209 -10.606 -9.094 1.00 43.02 H new ATOM 0 HB3 TYR A 38 0.587 -12.093 -9.781 1.00 43.02 H new ATOM 0 HD1 TYR A 38 -0.880 -8.828 -8.526 1.00 21.51 H new ATOM 0 HD2 TYR A 38 -0.900 -11.797 -11.598 1.00 33.34 H new ATOM 0 HE1 TYR A 38 -2.589 -7.559 -9.749 1.00 32.21 H new ATOM 0 HE2 TYR A 38 -2.607 -10.516 -12.813 1.00 42.25 H new ATOM 0 HH TYR A 38 -3.874 -8.709 -12.871 1.00 32.01 H new ATOM 597 N ASP A 39 -1.582 -13.620 -8.165 1.00 42.12 N ATOM 598 CA ASP A 39 -2.855 -14.373 -8.240 1.00 42.22 C ATOM 599 C ASP A 39 -3.503 -14.503 -6.852 1.00 50.52 C ATOM 600 O ASP A 39 -4.732 -14.431 -6.722 1.00 34.50 O ATOM 601 CB ASP A 39 -2.602 -15.772 -8.864 1.00 42.04 C ATOM 602 CG ASP A 39 -3.862 -16.658 -8.953 1.00 74.13 C ATOM 603 OD1 ASP A 39 -4.778 -16.323 -9.733 1.00 23.42 O ATOM 604 OD2 ASP A 39 -3.943 -17.688 -8.247 1.00 13.03 O ATOM 0 H ASP A 39 -0.765 -14.174 -8.420 1.00 42.12 H new ATOM 0 HA ASP A 39 -3.548 -13.823 -8.876 1.00 42.22 H new ATOM 0 HB2 ASP A 39 -2.190 -15.643 -9.865 1.00 42.04 H new ATOM 0 HB3 ASP A 39 -1.847 -16.291 -8.273 1.00 42.04 H new ATOM 609 N GLU A 40 -2.650 -14.667 -5.823 1.00 23.13 N ATOM 610 CA GLU A 40 -3.088 -14.770 -4.420 1.00 24.52 C ATOM 611 C GLU A 40 -3.659 -13.429 -3.926 1.00 34.23 C ATOM 612 O GLU A 40 -4.667 -13.396 -3.211 1.00 63.12 O ATOM 613 CB GLU A 40 -1.909 -15.204 -3.520 1.00 32.01 C ATOM 614 CG GLU A 40 -1.233 -16.521 -3.932 1.00 71.55 C ATOM 615 CD GLU A 40 -2.179 -17.734 -3.904 1.00 71.54 C ATOM 616 OE1 GLU A 40 -2.454 -18.254 -2.806 1.00 71.34 O ATOM 617 OE2 GLU A 40 -2.632 -18.183 -4.973 1.00 31.34 O ATOM 0 H GLU A 40 -1.639 -14.732 -5.942 1.00 23.13 H new ATOM 0 HA GLU A 40 -3.874 -15.523 -4.364 1.00 24.52 H new ATOM 0 HB2 GLU A 40 -1.160 -14.412 -3.520 1.00 32.01 H new ATOM 0 HB3 GLU A 40 -2.269 -15.302 -2.496 1.00 32.01 H new ATOM 0 HG2 GLU A 40 -0.826 -16.412 -4.937 1.00 71.55 H new ATOM 0 HG3 GLU A 40 -0.391 -16.712 -3.266 1.00 71.55 H new ATOM 624 N ALA A 41 -2.997 -12.323 -4.324 1.00 63.23 N ATOM 625 CA ALA A 41 -3.421 -10.965 -3.973 1.00 22.11 C ATOM 626 C ALA A 41 -4.709 -10.585 -4.723 1.00 62.43 C ATOM 627 O ALA A 41 -5.622 -9.967 -4.159 1.00 14.32 O ATOM 628 CB ALA A 41 -2.287 -9.996 -4.296 1.00 53.12 C ATOM 0 H ALA A 41 -2.154 -12.354 -4.898 1.00 63.23 H new ATOM 0 HA ALA A 41 -3.642 -10.914 -2.907 1.00 22.11 H new ATOM 0 HB1 ALA A 41 -2.591 -8.981 -4.039 1.00 53.12 H new ATOM 0 HB2 ALA A 41 -1.402 -10.267 -3.720 1.00 53.12 H new ATOM 0 HB3 ALA A 41 -2.057 -10.047 -5.360 1.00 53.12 H new ATOM 634 N HIS A 42 -4.769 -11.014 -5.991 1.00 12.23 N ATOM 635 CA HIS A 42 -5.903 -10.775 -6.888 1.00 44.15 C ATOM 636 C HIS A 42 -7.153 -11.490 -6.366 1.00 43.52 C ATOM 637 O HIS A 42 -8.255 -10.975 -6.485 1.00 42.41 O ATOM 638 CB HIS A 42 -5.545 -11.242 -8.325 1.00 12.31 C ATOM 639 CG HIS A 42 -6.640 -11.085 -9.352 1.00 25.43 C ATOM 640 ND1 HIS A 42 -6.839 -11.995 -10.362 1.00 15.12 N ATOM 641 CD2 HIS A 42 -7.590 -10.132 -9.528 1.00 32.44 C ATOM 642 CE1 HIS A 42 -7.844 -11.617 -11.110 1.00 62.44 C ATOM 643 NE2 HIS A 42 -8.319 -10.492 -10.627 1.00 23.13 N ATOM 0 H HIS A 42 -4.016 -11.546 -6.428 1.00 12.23 H new ATOM 0 HA HIS A 42 -6.119 -9.707 -6.919 1.00 44.15 H new ATOM 0 HB2 HIS A 42 -4.672 -10.684 -8.663 1.00 12.31 H new ATOM 0 HB3 HIS A 42 -5.256 -12.292 -8.285 1.00 12.31 H new ATOM 0 HD1 HIS A 42 -6.286 -12.840 -10.507 1.00 15.12 H new ATOM 0 HD2 HIS A 42 -7.741 -9.255 -8.916 1.00 32.44 H new ATOM 0 HE1 HIS A 42 -8.219 -12.141 -11.977 1.00 62.44 H new ATOM 652 N LYS A 43 -6.964 -12.670 -5.770 1.00 53.14 N ATOM 653 CA LYS A 43 -8.071 -13.451 -5.210 1.00 0.21 C ATOM 654 C LYS A 43 -8.556 -12.821 -3.893 1.00 75.12 C ATOM 655 O LYS A 43 -9.766 -12.747 -3.637 1.00 60.24 O ATOM 656 CB LYS A 43 -7.646 -14.924 -4.988 1.00 4.32 C ATOM 657 CG LYS A 43 -8.836 -15.887 -4.780 1.00 45.12 C ATOM 658 CD LYS A 43 -9.778 -15.923 -6.012 1.00 4.11 C ATOM 659 CE LYS A 43 -9.104 -16.531 -7.256 1.00 41.20 C ATOM 660 NZ LYS A 43 -9.971 -16.437 -8.456 1.00 22.41 N ATOM 0 H LYS A 43 -6.049 -13.108 -5.662 1.00 53.14 H new ATOM 0 HA LYS A 43 -8.896 -13.441 -5.923 1.00 0.21 H new ATOM 0 HB2 LYS A 43 -7.064 -15.259 -5.847 1.00 4.32 H new ATOM 0 HB3 LYS A 43 -6.990 -14.977 -4.119 1.00 4.32 H new ATOM 0 HG2 LYS A 43 -8.460 -16.891 -4.582 1.00 45.12 H new ATOM 0 HG3 LYS A 43 -9.401 -15.580 -3.900 1.00 45.12 H new ATOM 0 HD2 LYS A 43 -10.669 -16.502 -5.767 1.00 4.11 H new ATOM 0 HD3 LYS A 43 -10.109 -14.910 -6.241 1.00 4.11 H new ATOM 0 HE2 LYS A 43 -8.162 -16.016 -7.447 1.00 41.20 H new ATOM 0 HE3 LYS A 43 -8.862 -17.576 -7.064 1.00 41.20 H new ATOM 0 HZ1 LYS A 43 -9.481 -16.857 -9.272 1.00 22.41 H new ATOM 0 HZ2 LYS A 43 -10.859 -16.950 -8.284 1.00 22.41 H new ATOM 0 HZ3 LYS A 43 -10.181 -15.438 -8.655 1.00 22.41 H new ATOM 674 N ALA A 44 -7.589 -12.328 -3.095 1.00 65.14 N ATOM 675 CA ALA A 44 -7.847 -11.716 -1.782 1.00 43.53 C ATOM 676 C ALA A 44 -8.661 -10.419 -1.897 1.00 15.34 C ATOM 677 O ALA A 44 -9.332 -10.034 -0.941 1.00 73.40 O ATOM 678 CB ALA A 44 -6.530 -11.443 -1.067 1.00 13.53 C ATOM 0 H ALA A 44 -6.601 -12.345 -3.347 1.00 65.14 H new ATOM 0 HA ALA A 44 -8.440 -12.423 -1.203 1.00 43.53 H new ATOM 0 HB1 ALA A 44 -6.730 -10.990 -0.096 1.00 13.53 H new ATOM 0 HB2 ALA A 44 -5.991 -12.380 -0.926 1.00 13.53 H new ATOM 0 HB3 ALA A 44 -5.925 -10.763 -1.667 1.00 13.53 H new ATOM 684 N TRP A 45 -8.586 -9.775 -3.082 1.00 73.04 N ATOM 685 CA TRP A 45 -9.341 -8.556 -3.413 1.00 31.12 C ATOM 686 C TRP A 45 -10.865 -8.782 -3.182 1.00 74.23 C ATOM 687 O TRP A 45 -11.504 -8.058 -2.412 1.00 5.24 O ATOM 688 CB TRP A 45 -9.002 -8.124 -4.902 1.00 40.45 C ATOM 689 CG TRP A 45 -10.183 -7.586 -5.694 1.00 13.53 C ATOM 690 CD1 TRP A 45 -10.767 -6.356 -5.581 1.00 54.51 C ATOM 691 CD2 TRP A 45 -10.940 -8.297 -6.700 1.00 75.41 C ATOM 692 NE1 TRP A 45 -11.857 -6.277 -6.410 1.00 33.32 N ATOM 693 CE2 TRP A 45 -11.983 -7.448 -7.106 1.00 54.13 C ATOM 694 CE3 TRP A 45 -10.846 -9.577 -7.280 1.00 54.01 C ATOM 695 CZ2 TRP A 45 -12.925 -7.831 -8.057 1.00 5.01 C ATOM 696 CZ3 TRP A 45 -11.775 -9.951 -8.221 1.00 3.24 C ATOM 697 CH2 TRP A 45 -12.805 -9.088 -8.597 1.00 25.11 C ATOM 0 H TRP A 45 -7.989 -10.096 -3.844 1.00 73.04 H new ATOM 0 HA TRP A 45 -9.048 -7.739 -2.754 1.00 31.12 H new ATOM 0 HB2 TRP A 45 -8.223 -7.362 -4.876 1.00 40.45 H new ATOM 0 HB3 TRP A 45 -8.590 -8.984 -5.430 1.00 40.45 H new ATOM 0 HD1 TRP A 45 -10.421 -5.563 -4.934 1.00 54.51 H new ATOM 0 HE1 TRP A 45 -12.477 -5.471 -6.494 1.00 33.32 H new ATOM 0 HE3 TRP A 45 -10.056 -10.254 -6.990 1.00 54.01 H new ATOM 0 HZ2 TRP A 45 -13.720 -7.165 -8.359 1.00 5.01 H new ATOM 0 HZ3 TRP A 45 -11.707 -10.928 -8.677 1.00 3.24 H new ATOM 0 HH2 TRP A 45 -13.526 -9.417 -9.331 1.00 25.11 H new ATOM 708 N LYS A 46 -11.411 -9.824 -3.835 1.00 40.10 N ATOM 709 CA LYS A 46 -12.864 -10.109 -3.826 1.00 4.24 C ATOM 710 C LYS A 46 -13.247 -10.934 -2.596 1.00 3.40 C ATOM 711 O LYS A 46 -14.404 -10.928 -2.169 1.00 72.42 O ATOM 712 CB LYS A 46 -13.257 -10.818 -5.137 1.00 51.41 C ATOM 713 CG LYS A 46 -14.764 -11.066 -5.343 1.00 64.50 C ATOM 714 CD LYS A 46 -15.081 -11.702 -6.721 1.00 22.51 C ATOM 715 CE LYS A 46 -16.578 -11.678 -7.060 1.00 34.42 C ATOM 716 NZ LYS A 46 -16.864 -12.351 -8.354 1.00 74.54 N ATOM 0 H LYS A 46 -10.865 -10.490 -4.381 1.00 40.10 H new ATOM 0 HA LYS A 46 -13.417 -9.172 -3.765 1.00 4.24 H new ATOM 0 HB2 LYS A 46 -12.889 -10.224 -5.973 1.00 51.41 H new ATOM 0 HB3 LYS A 46 -12.742 -11.778 -5.177 1.00 51.41 H new ATOM 0 HG2 LYS A 46 -15.132 -11.719 -4.552 1.00 64.50 H new ATOM 0 HG3 LYS A 46 -15.300 -10.121 -5.251 1.00 64.50 H new ATOM 0 HD2 LYS A 46 -14.530 -11.170 -7.496 1.00 22.51 H new ATOM 0 HD3 LYS A 46 -14.728 -12.733 -6.729 1.00 22.51 H new ATOM 0 HE2 LYS A 46 -17.138 -12.168 -6.264 1.00 34.42 H new ATOM 0 HE3 LYS A 46 -16.924 -10.645 -7.104 1.00 34.42 H new ATOM 0 HZ1 LYS A 46 -17.885 -12.313 -8.547 1.00 74.54 H new ATOM 0 HZ2 LYS A 46 -16.350 -11.868 -9.118 1.00 74.54 H new ATOM 0 HZ3 LYS A 46 -16.558 -13.344 -8.304 1.00 74.54 H new ATOM 730 N ALA A 47 -12.250 -11.638 -2.031 1.00 1.34 N ATOM 731 CA ALA A 47 -12.383 -12.324 -0.741 1.00 51.11 C ATOM 732 C ALA A 47 -12.705 -11.309 0.370 1.00 35.13 C ATOM 733 O ALA A 47 -13.486 -11.598 1.269 1.00 64.23 O ATOM 734 CB ALA A 47 -11.097 -13.104 -0.422 1.00 72.13 C ATOM 0 H ALA A 47 -11.330 -11.745 -2.459 1.00 1.34 H new ATOM 0 HA ALA A 47 -13.207 -13.035 -0.799 1.00 51.11 H new ATOM 0 HB1 ALA A 47 -11.207 -13.609 0.538 1.00 72.13 H new ATOM 0 HB2 ALA A 47 -10.916 -13.843 -1.203 1.00 72.13 H new ATOM 0 HB3 ALA A 47 -10.255 -12.413 -0.374 1.00 72.13 H new ATOM 740 N LYS A 48 -12.108 -10.108 0.262 1.00 55.22 N ATOM 741 CA LYS A 48 -12.349 -8.995 1.183 1.00 42.44 C ATOM 742 C LYS A 48 -13.671 -8.296 0.867 1.00 24.30 C ATOM 743 O LYS A 48 -14.503 -8.128 1.751 1.00 31.02 O ATOM 744 CB LYS A 48 -11.166 -7.991 1.110 1.00 1.41 C ATOM 745 CG LYS A 48 -9.882 -8.487 1.807 1.00 63.22 C ATOM 746 CD LYS A 48 -10.057 -8.661 3.334 1.00 35.11 C ATOM 747 CE LYS A 48 -10.366 -7.334 4.038 1.00 24.51 C ATOM 748 NZ LYS A 48 -10.475 -7.492 5.509 1.00 35.50 N ATOM 0 H LYS A 48 -11.439 -9.886 -0.476 1.00 55.22 H new ATOM 0 HA LYS A 48 -12.419 -9.390 2.197 1.00 42.44 H new ATOM 0 HB2 LYS A 48 -10.943 -7.783 0.064 1.00 1.41 H new ATOM 0 HB3 LYS A 48 -11.473 -7.049 1.564 1.00 1.41 H new ATOM 0 HG2 LYS A 48 -9.581 -9.439 1.370 1.00 63.22 H new ATOM 0 HG3 LYS A 48 -9.075 -7.780 1.617 1.00 63.22 H new ATOM 0 HD2 LYS A 48 -10.863 -9.369 3.527 1.00 35.11 H new ATOM 0 HD3 LYS A 48 -9.148 -9.091 3.755 1.00 35.11 H new ATOM 0 HE2 LYS A 48 -9.582 -6.612 3.809 1.00 24.51 H new ATOM 0 HE3 LYS A 48 -11.299 -6.926 3.648 1.00 24.51 H new ATOM 0 HZ1 LYS A 48 -10.009 -6.690 5.980 1.00 35.50 H new ATOM 0 HZ2 LYS A 48 -11.478 -7.519 5.782 1.00 35.50 H new ATOM 0 HZ3 LYS A 48 -10.014 -8.378 5.798 1.00 35.50 H new ATOM 762 N ALA A 49 -13.852 -7.930 -0.415 1.00 23.34 N ATOM 763 CA ALA A 49 -15.016 -7.150 -0.889 1.00 21.23 C ATOM 764 C ALA A 49 -16.359 -7.836 -0.548 1.00 43.34 C ATOM 765 O ALA A 49 -17.316 -7.173 -0.124 1.00 53.22 O ATOM 766 CB ALA A 49 -14.891 -6.912 -2.401 1.00 71.51 C ATOM 0 H ALA A 49 -13.193 -8.167 -1.157 1.00 23.34 H new ATOM 0 HA ALA A 49 -15.016 -6.192 -0.368 1.00 21.23 H new ATOM 0 HB1 ALA A 49 -15.748 -6.337 -2.751 1.00 71.51 H new ATOM 0 HB2 ALA A 49 -13.975 -6.359 -2.608 1.00 71.51 H new ATOM 0 HB3 ALA A 49 -14.861 -7.871 -2.919 1.00 71.51 H new ATOM 772 N GLN A 50 -16.405 -9.166 -0.730 1.00 24.13 N ATOM 773 CA GLN A 50 -17.592 -9.989 -0.419 1.00 64.41 C ATOM 774 C GLN A 50 -17.731 -10.236 1.095 1.00 45.11 C ATOM 775 O GLN A 50 -18.839 -10.455 1.585 1.00 73.43 O ATOM 776 CB GLN A 50 -17.528 -11.345 -1.162 1.00 73.12 C ATOM 777 CG GLN A 50 -17.666 -11.257 -2.694 1.00 30.50 C ATOM 778 CD GLN A 50 -17.525 -12.615 -3.388 1.00 43.01 C ATOM 779 OE1 GLN A 50 -18.192 -12.892 -4.388 1.00 52.23 O ATOM 780 NE2 GLN A 50 -16.602 -13.449 -2.915 1.00 71.31 N ATOM 0 H GLN A 50 -15.620 -9.704 -1.097 1.00 24.13 H new ATOM 0 HA GLN A 50 -18.466 -9.433 -0.758 1.00 64.41 H new ATOM 0 HB2 GLN A 50 -16.580 -11.827 -0.925 1.00 73.12 H new ATOM 0 HB3 GLN A 50 -18.318 -11.990 -0.778 1.00 73.12 H new ATOM 0 HG2 GLN A 50 -18.637 -10.828 -2.941 1.00 30.50 H new ATOM 0 HG3 GLN A 50 -16.909 -10.576 -3.083 1.00 30.50 H new ATOM 0 HE21 GLN A 50 -16.063 -13.197 -2.086 1.00 71.31 H new ATOM 0 HE22 GLN A 50 -16.433 -14.340 -3.381 1.00 71.31 H new ATOM 789 N ALA A 51 -16.600 -10.226 1.821 1.00 11.41 N ATOM 790 CA ALA A 51 -16.593 -10.424 3.286 1.00 73.55 C ATOM 791 C ALA A 51 -17.067 -9.159 4.024 1.00 60.45 C ATOM 792 O ALA A 51 -17.579 -9.235 5.149 1.00 14.13 O ATOM 793 CB ALA A 51 -15.190 -10.835 3.755 1.00 41.42 C ATOM 0 H ALA A 51 -15.674 -10.083 1.418 1.00 11.41 H new ATOM 0 HA ALA A 51 -17.293 -11.225 3.526 1.00 73.55 H new ATOM 0 HB1 ALA A 51 -15.195 -10.978 4.836 1.00 41.42 H new ATOM 0 HB2 ALA A 51 -14.901 -11.766 3.267 1.00 41.42 H new ATOM 0 HB3 ALA A 51 -14.476 -10.053 3.496 1.00 41.42 H new ATOM 799 N THR A 52 -16.912 -7.999 3.371 1.00 54.45 N ATOM 800 CA THR A 52 -17.193 -6.693 3.972 1.00 54.05 C ATOM 801 C THR A 52 -18.542 -6.130 3.478 1.00 22.15 C ATOM 802 O THR A 52 -18.609 -5.097 2.799 1.00 74.10 O ATOM 803 CB THR A 52 -15.994 -5.724 3.700 1.00 40.41 C ATOM 804 OG1 THR A 52 -15.752 -5.596 2.284 1.00 53.13 O ATOM 805 CG2 THR A 52 -14.717 -6.234 4.404 1.00 52.51 C ATOM 0 H THR A 52 -16.586 -7.943 2.406 1.00 54.45 H new ATOM 0 HA THR A 52 -17.293 -6.803 5.052 1.00 54.05 H new ATOM 0 HB THR A 52 -16.254 -4.744 4.101 1.00 40.41 H new ATOM 0 HG1 THR A 52 -15.302 -6.402 1.955 1.00 53.13 H new ATOM 0 HG21 THR A 52 -13.893 -5.549 4.205 1.00 52.51 H new ATOM 0 HG22 THR A 52 -14.891 -6.289 5.479 1.00 52.51 H new ATOM 0 HG23 THR A 52 -14.464 -7.225 4.026 1.00 52.51 H new ATOM 813 N VAL A 53 -19.622 -6.862 3.812 1.00 44.25 N ATOM 814 CA VAL A 53 -21.016 -6.434 3.554 1.00 40.14 C ATOM 815 C VAL A 53 -21.513 -5.580 4.739 1.00 42.42 C ATOM 816 O VAL A 53 -22.261 -4.611 4.560 1.00 13.23 O ATOM 817 CB VAL A 53 -21.968 -7.676 3.346 1.00 54.20 C ATOM 818 CG1 VAL A 53 -23.393 -7.255 2.901 1.00 4.33 C ATOM 819 CG2 VAL A 53 -21.357 -8.686 2.351 1.00 41.33 C ATOM 0 H VAL A 53 -19.555 -7.771 4.270 1.00 44.25 H new ATOM 0 HA VAL A 53 -21.034 -5.844 2.638 1.00 40.14 H new ATOM 0 HB VAL A 53 -22.065 -8.166 4.315 1.00 54.20 H new ATOM 0 HG11 VAL A 53 -24.011 -8.143 2.771 1.00 4.33 H new ATOM 0 HG12 VAL A 53 -23.837 -6.613 3.662 1.00 4.33 H new ATOM 0 HG13 VAL A 53 -23.334 -6.713 1.957 1.00 4.33 H new ATOM 0 HG21 VAL A 53 -22.035 -9.531 2.228 1.00 41.33 H new ATOM 0 HG22 VAL A 53 -21.204 -8.200 1.387 1.00 41.33 H new ATOM 0 HG23 VAL A 53 -20.401 -9.041 2.734 1.00 41.33 H new ATOM 829 N ASP A 54 -21.064 -5.966 5.948 1.00 2.14 N ATOM 830 CA ASP A 54 -21.366 -5.262 7.217 1.00 31.43 C ATOM 831 C ASP A 54 -20.836 -3.818 7.205 1.00 23.51 C ATOM 832 O ASP A 54 -21.407 -2.928 7.847 1.00 72.31 O ATOM 833 CB ASP A 54 -20.713 -6.026 8.402 1.00 52.30 C ATOM 834 CG ASP A 54 -21.226 -7.465 8.549 1.00 41.32 C ATOM 835 OD1 ASP A 54 -20.744 -8.356 7.814 1.00 21.24 O ATOM 836 OD2 ASP A 54 -22.119 -7.714 9.384 1.00 73.41 O ATOM 0 H ASP A 54 -20.472 -6.787 6.077 1.00 2.14 H new ATOM 0 HA ASP A 54 -22.450 -5.231 7.330 1.00 31.43 H new ATOM 0 HB2 ASP A 54 -19.632 -6.045 8.262 1.00 52.30 H new ATOM 0 HB3 ASP A 54 -20.905 -5.482 9.327 1.00 52.30 H new ATOM 841 N ASN A 55 -19.726 -3.623 6.478 1.00 63.35 N ATOM 842 CA ASN A 55 -19.006 -2.346 6.397 1.00 21.50 C ATOM 843 C ASN A 55 -19.824 -1.268 5.676 1.00 63.11 C ATOM 844 O ASN A 55 -20.505 -1.553 4.688 1.00 73.31 O ATOM 845 CB ASN A 55 -17.655 -2.560 5.680 1.00 4.12 C ATOM 846 CG ASN A 55 -16.663 -3.354 6.530 1.00 73.54 C ATOM 847 OD1 ASN A 55 -16.772 -4.572 6.651 1.00 31.14 O ATOM 848 ND2 ASN A 55 -15.684 -2.675 7.112 1.00 43.15 N ATOM 0 H ASN A 55 -19.297 -4.362 5.921 1.00 63.35 H new ATOM 0 HA ASN A 55 -18.834 -1.993 7.414 1.00 21.50 H new ATOM 0 HB2 ASN A 55 -17.825 -3.085 4.740 1.00 4.12 H new ATOM 0 HB3 ASN A 55 -17.222 -1.591 5.431 1.00 4.12 H new ATOM 0 HD21 ASN A 55 -14.992 -3.164 7.681 1.00 43.15 H new ATOM 0 HD22 ASN A 55 -15.623 -1.664 6.991 1.00 43.15 H new ATOM 855 N ALA A 56 -19.720 -0.034 6.193 1.00 33.14 N ATOM 856 CA ALA A 56 -20.412 1.146 5.662 1.00 32.42 C ATOM 857 C ALA A 56 -19.775 1.623 4.342 1.00 5.24 C ATOM 858 O ALA A 56 -20.414 1.596 3.285 1.00 52.12 O ATOM 859 CB ALA A 56 -20.393 2.271 6.721 1.00 60.43 C ATOM 0 H ALA A 56 -19.141 0.173 7.007 1.00 33.14 H new ATOM 0 HA ALA A 56 -21.445 0.877 5.442 1.00 32.42 H new ATOM 0 HB1 ALA A 56 -20.907 3.149 6.329 1.00 60.43 H new ATOM 0 HB2 ALA A 56 -20.898 1.929 7.624 1.00 60.43 H new ATOM 0 HB3 ALA A 56 -19.361 2.530 6.958 1.00 60.43 H new ATOM 865 N HIS A 57 -18.500 2.044 4.412 1.00 22.15 N ATOM 866 CA HIS A 57 -17.817 2.732 3.290 1.00 14.23 C ATOM 867 C HIS A 57 -16.536 2.004 2.848 1.00 53.44 C ATOM 868 O HIS A 57 -15.822 2.481 1.956 1.00 62.43 O ATOM 869 CB HIS A 57 -17.456 4.174 3.720 1.00 44.10 C ATOM 870 CG HIS A 57 -18.598 4.999 4.254 1.00 22.31 C ATOM 871 ND1 HIS A 57 -18.826 5.177 5.607 1.00 13.31 N ATOM 872 CD2 HIS A 57 -19.562 5.706 3.623 1.00 34.33 C ATOM 873 CE1 HIS A 57 -19.880 5.950 5.773 1.00 2.53 C ATOM 874 NE2 HIS A 57 -20.339 6.282 4.587 1.00 53.32 N ATOM 0 H HIS A 57 -17.914 1.921 5.238 1.00 22.15 H new ATOM 0 HA HIS A 57 -18.503 2.738 2.443 1.00 14.23 H new ATOM 0 HB2 HIS A 57 -16.680 4.123 4.484 1.00 44.10 H new ATOM 0 HB3 HIS A 57 -17.026 4.693 2.863 1.00 44.10 H new ATOM 0 HD1 HIS A 57 -18.266 4.773 6.358 1.00 13.31 H new ATOM 0 HD2 HIS A 57 -19.693 5.798 2.555 1.00 34.33 H new ATOM 0 HE1 HIS A 57 -20.296 6.258 6.721 1.00 2.53 H new ATOM 883 N ALA A 58 -16.270 0.844 3.449 1.00 21.35 N ATOM 884 CA ALA A 58 -14.987 0.141 3.297 1.00 1.32 C ATOM 885 C ALA A 58 -14.929 -0.637 1.974 1.00 43.31 C ATOM 886 O ALA A 58 -15.745 -1.534 1.723 1.00 32.25 O ATOM 887 CB ALA A 58 -14.712 -0.777 4.492 1.00 42.14 C ATOM 0 H ALA A 58 -16.934 0.362 4.055 1.00 21.35 H new ATOM 0 HA ALA A 58 -14.200 0.895 3.270 1.00 1.32 H new ATOM 0 HB1 ALA A 58 -13.757 -1.283 4.350 1.00 42.14 H new ATOM 0 HB2 ALA A 58 -14.677 -0.184 5.406 1.00 42.14 H new ATOM 0 HB3 ALA A 58 -15.507 -1.519 4.571 1.00 42.14 H new ATOM 893 N ARG A 59 -13.950 -0.262 1.138 1.00 62.41 N ATOM 894 CA ARG A 59 -13.706 -0.849 -0.186 1.00 54.22 C ATOM 895 C ARG A 59 -12.214 -1.204 -0.297 1.00 44.13 C ATOM 896 O ARG A 59 -11.348 -0.386 0.034 1.00 14.25 O ATOM 897 CB ARG A 59 -14.141 0.154 -1.287 1.00 22.33 C ATOM 898 CG ARG A 59 -15.667 0.330 -1.444 1.00 13.53 C ATOM 899 CD ARG A 59 -16.332 -0.956 -1.954 1.00 3.34 C ATOM 900 NE ARG A 59 -17.804 -0.884 -1.980 1.00 74.30 N ATOM 901 CZ ARG A 59 -18.618 -1.356 -1.017 1.00 10.11 C ATOM 902 NH1 ARG A 59 -18.127 -1.919 0.089 1.00 64.33 N ATOM 903 NH2 ARG A 59 -19.928 -1.316 -1.195 1.00 73.43 N ATOM 0 H ARG A 59 -13.288 0.478 1.371 1.00 62.41 H new ATOM 0 HA ARG A 59 -14.291 -1.759 -0.320 1.00 54.22 H new ATOM 0 HB2 ARG A 59 -13.699 1.126 -1.067 1.00 22.33 H new ATOM 0 HB3 ARG A 59 -13.728 -0.175 -2.241 1.00 22.33 H new ATOM 0 HG2 ARG A 59 -16.103 0.610 -0.485 1.00 13.53 H new ATOM 0 HG3 ARG A 59 -15.871 1.146 -2.137 1.00 13.53 H new ATOM 0 HD2 ARG A 59 -15.968 -1.170 -2.959 1.00 3.34 H new ATOM 0 HD3 ARG A 59 -16.028 -1.789 -1.321 1.00 3.34 H new ATOM 0 HE ARG A 59 -18.239 -0.443 -2.790 1.00 74.30 H new ATOM 0 HH11 ARG A 59 -17.118 -1.998 0.216 1.00 64.33 H new ATOM 0 HH12 ARG A 59 -18.761 -2.270 0.807 1.00 64.33 H new ATOM 0 HH21 ARG A 59 -20.314 -0.930 -2.057 1.00 73.43 H new ATOM 0 HH22 ARG A 59 -20.552 -1.671 -0.471 1.00 73.43 H new ATOM 917 N TYR A 60 -11.937 -2.444 -0.736 1.00 74.10 N ATOM 918 CA TYR A 60 -10.593 -3.046 -0.711 1.00 72.22 C ATOM 919 C TYR A 60 -10.126 -3.346 -2.139 1.00 14.15 C ATOM 920 O TYR A 60 -10.817 -4.039 -2.894 1.00 61.41 O ATOM 921 CB TYR A 60 -10.620 -4.327 0.164 1.00 62.12 C ATOM 922 CG TYR A 60 -11.046 -4.047 1.618 1.00 10.13 C ATOM 923 CD1 TYR A 60 -12.394 -3.943 1.967 1.00 54.24 C ATOM 924 CD2 TYR A 60 -10.107 -3.854 2.628 1.00 14.34 C ATOM 925 CE1 TYR A 60 -12.776 -3.647 3.256 1.00 13.13 C ATOM 926 CE2 TYR A 60 -10.491 -3.569 3.920 1.00 71.24 C ATOM 927 CZ TYR A 60 -11.827 -3.471 4.231 1.00 43.12 C ATOM 928 OH TYR A 60 -12.220 -3.188 5.527 1.00 70.14 O ATOM 0 H TYR A 60 -12.649 -3.064 -1.123 1.00 74.10 H new ATOM 0 HA TYR A 60 -9.880 -2.348 -0.272 1.00 72.22 H new ATOM 0 HB2 TYR A 60 -11.306 -5.049 -0.278 1.00 62.12 H new ATOM 0 HB3 TYR A 60 -9.631 -4.784 0.162 1.00 62.12 H new ATOM 0 HD1 TYR A 60 -13.151 -4.098 1.212 1.00 54.24 H new ATOM 0 HD2 TYR A 60 -9.055 -3.929 2.394 1.00 14.34 H new ATOM 0 HE1 TYR A 60 -13.824 -3.553 3.500 1.00 13.13 H new ATOM 0 HE2 TYR A 60 -9.745 -3.423 4.687 1.00 71.24 H new ATOM 0 HH TYR A 60 -13.094 -3.597 5.701 1.00 70.14 H new ATOM 938 N PHE A 61 -8.951 -2.800 -2.492 1.00 20.54 N ATOM 939 CA PHE A 61 -8.388 -2.852 -3.852 1.00 24.25 C ATOM 940 C PHE A 61 -6.959 -3.425 -3.827 1.00 3.52 C ATOM 941 O PHE A 61 -6.471 -3.894 -2.792 1.00 33.42 O ATOM 942 CB PHE A 61 -8.378 -1.424 -4.473 1.00 0.20 C ATOM 943 CG PHE A 61 -9.749 -0.757 -4.542 1.00 30.53 C ATOM 944 CD1 PHE A 61 -10.660 -1.120 -5.520 1.00 14.33 C ATOM 945 CD2 PHE A 61 -10.126 0.221 -3.626 1.00 73.01 C ATOM 946 CE1 PHE A 61 -11.907 -0.529 -5.596 1.00 55.12 C ATOM 947 CE2 PHE A 61 -11.369 0.812 -3.704 1.00 74.51 C ATOM 948 CZ PHE A 61 -12.261 0.438 -4.685 1.00 64.40 C ATOM 0 H PHE A 61 -8.356 -2.302 -1.830 1.00 20.54 H new ATOM 0 HA PHE A 61 -9.011 -3.506 -4.462 1.00 24.25 H new ATOM 0 HB2 PHE A 61 -7.709 -0.792 -3.889 1.00 0.20 H new ATOM 0 HB3 PHE A 61 -7.964 -1.482 -5.480 1.00 0.20 H new ATOM 0 HD1 PHE A 61 -10.390 -1.880 -6.238 1.00 14.33 H new ATOM 0 HD2 PHE A 61 -9.439 0.519 -2.848 1.00 73.01 H new ATOM 0 HE1 PHE A 61 -12.601 -0.826 -6.368 1.00 55.12 H new ATOM 0 HE2 PHE A 61 -11.646 1.574 -2.991 1.00 74.51 H new ATOM 0 HZ PHE A 61 -13.235 0.903 -4.738 1.00 64.40 H new ATOM 958 N ILE A 62 -6.301 -3.384 -4.991 1.00 74.31 N ATOM 959 CA ILE A 62 -4.904 -3.821 -5.167 1.00 1.45 C ATOM 960 C ILE A 62 -4.094 -2.610 -5.681 1.00 72.32 C ATOM 961 O ILE A 62 -4.678 -1.680 -6.223 1.00 1.52 O ATOM 962 CB ILE A 62 -4.805 -5.005 -6.217 1.00 44.14 C ATOM 963 CG1 ILE A 62 -5.993 -6.015 -6.063 1.00 70.22 C ATOM 964 CG2 ILE A 62 -3.455 -5.742 -6.076 1.00 1.32 C ATOM 965 CD1 ILE A 62 -6.098 -7.050 -7.176 1.00 62.23 C ATOM 0 H ILE A 62 -6.727 -3.042 -5.852 1.00 74.31 H new ATOM 0 HA ILE A 62 -4.512 -4.183 -4.216 1.00 1.45 H new ATOM 0 HB ILE A 62 -4.867 -4.566 -7.213 1.00 44.14 H new ATOM 0 HG12 ILE A 62 -5.889 -6.535 -5.111 1.00 70.22 H new ATOM 0 HG13 ILE A 62 -6.926 -5.453 -6.019 1.00 70.22 H new ATOM 0 HG21 ILE A 62 -3.405 -6.551 -6.804 1.00 1.32 H new ATOM 0 HG22 ILE A 62 -2.638 -5.042 -6.254 1.00 1.32 H new ATOM 0 HG23 ILE A 62 -3.368 -6.153 -5.070 1.00 1.32 H new ATOM 0 HD11 ILE A 62 -6.948 -7.705 -6.985 1.00 62.23 H new ATOM 0 HD12 ILE A 62 -6.237 -6.544 -8.131 1.00 62.23 H new ATOM 0 HD13 ILE A 62 -5.184 -7.643 -7.209 1.00 62.23 H new ATOM 977 N ILE A 63 -2.766 -2.600 -5.474 1.00 63.51 N ATOM 978 CA ILE A 63 -1.836 -1.632 -6.116 1.00 24.21 C ATOM 979 C ILE A 63 -0.558 -2.394 -6.508 1.00 34.23 C ATOM 980 O ILE A 63 -0.151 -3.321 -5.806 1.00 42.32 O ATOM 981 CB ILE A 63 -1.447 -0.405 -5.191 1.00 3.41 C ATOM 982 CG1 ILE A 63 -2.713 0.306 -4.620 1.00 44.33 C ATOM 983 CG2 ILE A 63 -0.562 0.613 -5.970 1.00 33.11 C ATOM 984 CD1 ILE A 63 -2.422 1.428 -3.645 1.00 4.05 C ATOM 0 H ILE A 63 -2.298 -3.262 -4.856 1.00 63.51 H new ATOM 0 HA ILE A 63 -2.349 -1.210 -6.980 1.00 24.21 H new ATOM 0 HB ILE A 63 -0.875 -0.798 -4.350 1.00 3.41 H new ATOM 0 HG12 ILE A 63 -3.294 0.706 -5.451 1.00 44.33 H new ATOM 0 HG13 ILE A 63 -3.337 -0.437 -4.123 1.00 44.33 H new ATOM 0 HG21 ILE A 63 -0.306 1.447 -5.317 1.00 33.11 H new ATOM 0 HG22 ILE A 63 0.351 0.120 -6.304 1.00 33.11 H new ATOM 0 HG23 ILE A 63 -1.111 0.985 -6.835 1.00 33.11 H new ATOM 0 HD11 ILE A 63 -3.360 1.863 -3.301 1.00 4.05 H new ATOM 0 HD12 ILE A 63 -1.870 1.034 -2.792 1.00 4.05 H new ATOM 0 HD13 ILE A 63 -1.826 2.195 -4.140 1.00 4.05 H new ATOM 996 N HIS A 64 0.079 -1.997 -7.626 1.00 72.14 N ATOM 997 CA HIS A 64 1.276 -2.686 -8.135 1.00 33.41 C ATOM 998 C HIS A 64 2.534 -2.282 -7.336 1.00 72.43 C ATOM 999 O HIS A 64 2.988 -1.134 -7.398 1.00 33.22 O ATOM 1000 CB HIS A 64 1.463 -2.469 -9.666 1.00 22.14 C ATOM 1001 CG HIS A 64 1.601 -1.039 -10.146 1.00 0.05 C ATOM 1002 ND1 HIS A 64 2.784 -0.342 -10.066 1.00 24.52 N ATOM 1003 CD2 HIS A 64 0.732 -0.215 -10.780 1.00 12.20 C ATOM 1004 CE1 HIS A 64 2.644 0.830 -10.629 1.00 10.52 C ATOM 1005 NE2 HIS A 64 1.408 0.936 -11.077 1.00 74.50 N ATOM 0 H HIS A 64 -0.217 -1.202 -8.193 1.00 72.14 H new ATOM 0 HA HIS A 64 1.126 -3.756 -7.988 1.00 33.41 H new ATOM 0 HB2 HIS A 64 2.350 -3.019 -9.980 1.00 22.14 H new ATOM 0 HB3 HIS A 64 0.612 -2.918 -10.178 1.00 22.14 H new ATOM 0 HD1 HIS A 64 3.641 -0.687 -9.633 1.00 24.52 H new ATOM 0 HD2 HIS A 64 -0.302 -0.428 -11.008 1.00 12.20 H new ATOM 0 HE1 HIS A 64 3.412 1.585 -10.713 1.00 10.52 H new ATOM 1014 N ALA A 65 3.052 -3.234 -6.538 1.00 74.55 N ATOM 1015 CA ALA A 65 4.333 -3.086 -5.834 1.00 72.10 C ATOM 1016 C ALA A 65 5.422 -3.818 -6.628 1.00 3.23 C ATOM 1017 O ALA A 65 5.586 -5.037 -6.526 1.00 75.53 O ATOM 1018 CB ALA A 65 4.240 -3.599 -4.392 1.00 1.13 C ATOM 0 H ALA A 65 2.591 -4.127 -6.365 1.00 74.55 H new ATOM 0 HA ALA A 65 4.591 -2.029 -5.769 1.00 72.10 H new ATOM 0 HB1 ALA A 65 5.204 -3.475 -3.899 1.00 1.13 H new ATOM 0 HB2 ALA A 65 3.481 -3.032 -3.852 1.00 1.13 H new ATOM 0 HB3 ALA A 65 3.968 -4.655 -4.398 1.00 1.13 H new ATOM 1024 N HIS A 66 6.087 -3.048 -7.482 1.00 0.20 N ATOM 1025 CA HIS A 66 7.246 -3.474 -8.278 1.00 70.12 C ATOM 1026 C HIS A 66 7.906 -2.192 -8.782 1.00 32.30 C ATOM 1027 O HIS A 66 9.124 -2.011 -8.686 1.00 53.40 O ATOM 1028 CB HIS A 66 6.844 -4.403 -9.458 1.00 44.24 C ATOM 1029 CG HIS A 66 8.020 -5.059 -10.150 1.00 30.34 C ATOM 1030 ND1 HIS A 66 8.370 -6.375 -9.940 1.00 14.23 N ATOM 1031 CD2 HIS A 66 8.940 -4.571 -11.022 1.00 42.04 C ATOM 1032 CE1 HIS A 66 9.447 -6.658 -10.637 1.00 61.11 C ATOM 1033 NE2 HIS A 66 9.810 -5.583 -11.302 1.00 65.20 N ATOM 0 H HIS A 66 5.830 -2.075 -7.649 1.00 0.20 H new ATOM 0 HA HIS A 66 7.930 -4.065 -7.670 1.00 70.12 H new ATOM 0 HB2 HIS A 66 6.175 -5.179 -9.085 1.00 44.24 H new ATOM 0 HB3 HIS A 66 6.282 -3.822 -10.190 1.00 44.24 H new ATOM 0 HD2 HIS A 66 8.976 -3.568 -11.420 1.00 42.04 H new ATOM 0 HE1 HIS A 66 9.950 -7.613 -10.660 1.00 61.11 H new ATOM 0 HE2 HIS A 66 10.613 -5.517 -11.927 1.00 65.20 H new ATOM 1042 N LYS A 67 7.058 -1.298 -9.320 1.00 1.34 N ATOM 1043 CA LYS A 67 7.412 0.101 -9.542 1.00 5.10 C ATOM 1044 C LYS A 67 6.969 0.889 -8.300 1.00 31.24 C ATOM 1045 O LYS A 67 5.806 1.309 -8.178 1.00 74.32 O ATOM 1046 CB LYS A 67 6.783 0.684 -10.844 1.00 15.32 C ATOM 1047 CG LYS A 67 7.028 2.212 -11.032 1.00 42.25 C ATOM 1048 CD LYS A 67 8.537 2.600 -10.991 1.00 33.00 C ATOM 1049 CE LYS A 67 8.766 4.115 -10.888 1.00 73.12 C ATOM 1050 NZ LYS A 67 10.213 4.441 -10.760 1.00 72.40 N ATOM 0 H LYS A 67 6.109 -1.533 -9.611 1.00 1.34 H new ATOM 0 HA LYS A 67 8.489 0.183 -9.687 1.00 5.10 H new ATOM 0 HB2 LYS A 67 7.191 0.152 -11.703 1.00 15.32 H new ATOM 0 HB3 LYS A 67 5.709 0.496 -10.833 1.00 15.32 H new ATOM 0 HG2 LYS A 67 6.604 2.527 -11.985 1.00 42.25 H new ATOM 0 HG3 LYS A 67 6.498 2.757 -10.251 1.00 42.25 H new ATOM 0 HD2 LYS A 67 9.010 2.108 -10.141 1.00 33.00 H new ATOM 0 HD3 LYS A 67 9.027 2.225 -11.889 1.00 33.00 H new ATOM 0 HE2 LYS A 67 8.358 4.606 -11.771 1.00 73.12 H new ATOM 0 HE3 LYS A 67 8.226 4.508 -10.027 1.00 73.12 H new ATOM 0 HZ1 LYS A 67 10.332 5.472 -10.693 1.00 72.40 H new ATOM 0 HZ2 LYS A 67 10.596 3.992 -9.904 1.00 72.40 H new ATOM 0 HZ3 LYS A 67 10.724 4.087 -11.594 1.00 72.40 H new ATOM 1064 N LEU A 68 7.889 0.959 -7.338 1.00 32.11 N ATOM 1065 CA LEU A 68 7.784 1.820 -6.171 1.00 0.34 C ATOM 1066 C LEU A 68 8.211 3.241 -6.571 1.00 42.21 C ATOM 1067 O LEU A 68 9.167 3.421 -7.343 1.00 41.42 O ATOM 1068 CB LEU A 68 8.692 1.271 -5.037 1.00 64.25 C ATOM 1069 CG LEU A 68 8.195 -0.002 -4.260 1.00 74.04 C ATOM 1070 CD1 LEU A 68 6.930 0.298 -3.432 1.00 51.33 C ATOM 1071 CD2 LEU A 68 7.987 -1.232 -5.173 1.00 64.31 C ATOM 0 H LEU A 68 8.745 0.405 -7.353 1.00 32.11 H new ATOM 0 HA LEU A 68 6.757 1.843 -5.806 1.00 0.34 H new ATOM 0 HB2 LEU A 68 9.667 1.043 -5.468 1.00 64.25 H new ATOM 0 HB3 LEU A 68 8.844 2.070 -4.311 1.00 64.25 H new ATOM 0 HG LEU A 68 8.998 -0.264 -3.572 1.00 74.04 H new ATOM 0 HD11 LEU A 68 6.615 -0.605 -2.909 1.00 51.33 H new ATOM 0 HD12 LEU A 68 7.148 1.081 -2.706 1.00 51.33 H new ATOM 0 HD13 LEU A 68 6.131 0.630 -4.095 1.00 51.33 H new ATOM 0 HD21 LEU A 68 7.644 -2.076 -4.574 1.00 64.31 H new ATOM 0 HD22 LEU A 68 7.241 -0.999 -5.933 1.00 64.31 H new ATOM 0 HD23 LEU A 68 8.929 -1.490 -5.657 1.00 64.31 H new ATOM 1083 N LEU A 69 7.488 4.239 -6.052 1.00 74.12 N ATOM 1084 CA LEU A 69 7.780 5.650 -6.298 1.00 5.41 C ATOM 1085 C LEU A 69 8.940 6.070 -5.395 1.00 31.12 C ATOM 1086 O LEU A 69 8.738 6.491 -4.249 1.00 40.50 O ATOM 1087 CB LEU A 69 6.524 6.510 -6.030 1.00 31.54 C ATOM 1088 CG LEU A 69 5.251 6.103 -6.826 1.00 15.20 C ATOM 1089 CD1 LEU A 69 4.041 6.928 -6.363 1.00 53.04 C ATOM 1090 CD2 LEU A 69 5.475 6.216 -8.354 1.00 4.15 C ATOM 0 H LEU A 69 6.681 4.087 -5.447 1.00 74.12 H new ATOM 0 HA LEU A 69 8.063 5.800 -7.340 1.00 5.41 H new ATOM 0 HB2 LEU A 69 6.295 6.466 -4.965 1.00 31.54 H new ATOM 0 HB3 LEU A 69 6.760 7.549 -6.262 1.00 31.54 H new ATOM 0 HG LEU A 69 5.040 5.054 -6.617 1.00 15.20 H new ATOM 0 HD11 LEU A 69 3.159 6.630 -6.930 1.00 53.04 H new ATOM 0 HD12 LEU A 69 3.866 6.753 -5.302 1.00 53.04 H new ATOM 0 HD13 LEU A 69 4.238 7.987 -6.528 1.00 53.04 H new ATOM 0 HD21 LEU A 69 4.565 5.924 -8.878 1.00 4.15 H new ATOM 0 HD22 LEU A 69 5.726 7.245 -8.610 1.00 4.15 H new ATOM 0 HD23 LEU A 69 6.292 5.558 -8.652 1.00 4.15 H new ATOM 1102 N ASP A 70 10.154 5.850 -5.894 1.00 21.22 N ATOM 1103 CA ASP A 70 11.389 6.149 -5.169 1.00 40.45 C ATOM 1104 C ASP A 70 11.986 7.489 -5.646 1.00 44.22 C ATOM 1105 O ASP A 70 12.511 7.576 -6.765 1.00 31.54 O ATOM 1106 CB ASP A 70 12.409 5.011 -5.344 1.00 14.25 C ATOM 1107 CG ASP A 70 13.753 5.295 -4.650 1.00 45.14 C ATOM 1108 OD1 ASP A 70 13.756 5.598 -3.434 1.00 4.44 O ATOM 1109 OD2 ASP A 70 14.803 5.248 -5.323 1.00 3.44 O ATOM 0 H ASP A 70 10.311 5.456 -6.821 1.00 21.22 H new ATOM 0 HA ASP A 70 11.151 6.236 -4.109 1.00 40.45 H new ATOM 0 HB2 ASP A 70 11.988 4.089 -4.944 1.00 14.25 H new ATOM 0 HB3 ASP A 70 12.583 4.847 -6.407 1.00 14.25 H new ATOM 1114 N PRO A 71 11.918 8.552 -4.798 1.00 14.21 N ATOM 1115 CA PRO A 71 12.467 9.893 -5.116 1.00 2.34 C ATOM 1116 C PRO A 71 14.010 9.953 -5.031 1.00 20.10 C ATOM 1117 O PRO A 71 14.616 10.971 -5.396 1.00 72.33 O ATOM 1118 CB PRO A 71 11.799 10.817 -4.053 1.00 4.10 C ATOM 1119 CG PRO A 71 10.782 9.952 -3.349 1.00 61.25 C ATOM 1120 CD PRO A 71 11.292 8.549 -3.461 1.00 20.41 C ATOM 0 HA PRO A 71 12.252 10.187 -6.143 1.00 2.34 H new ATOM 0 HB2 PRO A 71 12.537 11.205 -3.351 1.00 4.10 H new ATOM 0 HB3 PRO A 71 11.324 11.677 -4.524 1.00 4.10 H new ATOM 0 HG2 PRO A 71 10.674 10.247 -2.305 1.00 61.25 H new ATOM 0 HG3 PRO A 71 9.800 10.049 -3.811 1.00 61.25 H new ATOM 0 HD2 PRO A 71 12.010 8.313 -2.676 1.00 20.41 H new ATOM 0 HD3 PRO A 71 10.488 7.816 -3.389 1.00 20.41 H new ATOM 1128 N SER A 72 14.639 8.869 -4.531 1.00 40.55 N ATOM 1129 CA SER A 72 16.104 8.764 -4.439 1.00 50.24 C ATOM 1130 C SER A 72 16.717 8.598 -5.839 1.00 12.33 C ATOM 1131 O SER A 72 17.626 9.342 -6.226 1.00 15.45 O ATOM 1132 CB SER A 72 16.496 7.582 -3.522 1.00 64.32 C ATOM 1133 OG SER A 72 17.907 7.421 -3.430 1.00 13.11 O ATOM 0 H SER A 72 14.145 8.047 -4.182 1.00 40.55 H new ATOM 0 HA SER A 72 16.498 9.682 -4.003 1.00 50.24 H new ATOM 0 HB2 SER A 72 16.084 7.745 -2.526 1.00 64.32 H new ATOM 0 HB3 SER A 72 16.051 6.664 -3.905 1.00 64.32 H new ATOM 0 HG SER A 72 18.112 6.665 -2.841 1.00 13.11 H new ATOM 1227 N GLN B 105 -8.537 14.797 -1.049 1.00 42.20 N ATOM 1228 CA GLN B 105 -7.278 14.485 -0.337 1.00 74.01 C ATOM 1229 C GLN B 105 -6.467 13.381 -1.031 1.00 20.23 C ATOM 1230 O GLN B 105 -5.258 13.294 -0.785 1.00 32.02 O ATOM 1231 CB GLN B 105 -7.580 14.105 1.153 1.00 52.43 C ATOM 1232 CG GLN B 105 -8.802 13.184 1.384 1.00 70.44 C ATOM 1233 CD GLN B 105 -8.686 11.743 0.864 1.00 10.14 C ATOM 1234 OE1 GLN B 105 -9.670 11.161 0.434 1.00 10.03 O ATOM 1235 NE2 GLN B 105 -7.523 11.129 0.952 1.00 53.22 N ATOM 0 HA GLN B 105 -6.661 15.383 -0.358 1.00 74.01 H new ATOM 0 HB2 GLN B 105 -6.698 13.617 1.568 1.00 52.43 H new ATOM 0 HB3 GLN B 105 -7.731 15.025 1.718 1.00 52.43 H new ATOM 0 HG2 GLN B 105 -9.001 13.145 2.455 1.00 70.44 H new ATOM 0 HG3 GLN B 105 -9.671 13.646 0.915 1.00 70.44 H new ATOM 0 HE21 GLN B 105 -6.709 11.627 1.313 1.00 53.22 H new ATOM 0 HE22 GLN B 105 -7.437 10.156 0.659 1.00 53.22 H new ATOM 1244 N LEU B 106 -7.148 12.562 -1.886 1.00 12.00 N ATOM 1245 CA LEU B 106 -6.627 11.266 -2.397 1.00 31.03 C ATOM 1246 C LEU B 106 -5.169 11.368 -2.883 1.00 44.41 C ATOM 1247 O LEU B 106 -4.837 12.214 -3.720 1.00 11.12 O ATOM 1248 CB LEU B 106 -7.545 10.698 -3.507 1.00 73.23 C ATOM 1249 CG LEU B 106 -7.260 9.220 -3.922 1.00 71.22 C ATOM 1250 CD1 LEU B 106 -7.355 8.267 -2.721 1.00 31.43 C ATOM 1251 CD2 LEU B 106 -8.194 8.755 -5.055 1.00 73.15 C ATOM 0 H LEU B 106 -8.078 12.788 -2.239 1.00 12.00 H new ATOM 0 HA LEU B 106 -6.631 10.571 -1.558 1.00 31.03 H new ATOM 0 HB2 LEU B 106 -8.579 10.770 -3.171 1.00 73.23 H new ATOM 0 HB3 LEU B 106 -7.452 11.330 -4.390 1.00 73.23 H new ATOM 0 HG LEU B 106 -6.237 9.191 -4.297 1.00 71.22 H new ATOM 0 HD11 LEU B 106 -7.151 7.248 -3.048 1.00 31.43 H new ATOM 0 HD12 LEU B 106 -6.625 8.559 -1.966 1.00 31.43 H new ATOM 0 HD13 LEU B 106 -8.357 8.317 -2.295 1.00 31.43 H new ATOM 0 HD21 LEU B 106 -7.964 7.722 -5.315 1.00 73.15 H new ATOM 0 HD22 LEU B 106 -9.230 8.824 -4.724 1.00 73.15 H new ATOM 0 HD23 LEU B 106 -8.050 9.390 -5.929 1.00 73.15 H new ATOM 1263 N LEU B 107 -4.316 10.492 -2.334 1.00 45.35 N ATOM 1264 CA LEU B 107 -2.865 10.696 -2.315 1.00 25.33 C ATOM 1265 C LEU B 107 -2.087 9.405 -2.532 1.00 12.30 C ATOM 1266 O LEU B 107 -2.661 8.337 -2.742 1.00 2.12 O ATOM 1267 CB LEU B 107 -2.428 11.428 -0.985 1.00 64.41 C ATOM 1268 CG LEU B 107 -2.760 10.805 0.441 1.00 13.13 C ATOM 1269 CD1 LEU B 107 -4.261 10.559 0.671 1.00 4.24 C ATOM 1270 CD2 LEU B 107 -1.935 9.541 0.775 1.00 40.10 C ATOM 0 H LEU B 107 -4.615 9.623 -1.891 1.00 45.35 H new ATOM 0 HA LEU B 107 -2.616 11.340 -3.159 1.00 25.33 H new ATOM 0 HB2 LEU B 107 -1.347 11.558 -1.033 1.00 64.41 H new ATOM 0 HB3 LEU B 107 -2.870 12.424 -1.009 1.00 64.41 H new ATOM 0 HG LEU B 107 -2.451 11.580 1.143 1.00 13.13 H new ATOM 0 HD11 LEU B 107 -4.412 10.134 1.663 1.00 4.24 H new ATOM 0 HD12 LEU B 107 -4.800 11.503 0.595 1.00 4.24 H new ATOM 0 HD13 LEU B 107 -4.636 9.866 -0.082 1.00 4.24 H new ATOM 0 HD21 LEU B 107 -2.216 9.173 1.762 1.00 40.10 H new ATOM 0 HD22 LEU B 107 -2.133 8.770 0.031 1.00 40.10 H new ATOM 0 HD23 LEU B 107 -0.873 9.787 0.768 1.00 40.10 H new ATOM 1282 N HIS B 108 -0.757 9.546 -2.496 1.00 12.43 N ATOM 1283 CA HIS B 108 0.188 8.434 -2.574 1.00 11.30 C ATOM 1284 C HIS B 108 0.543 7.996 -1.149 1.00 41.52 C ATOM 1285 O HIS B 108 1.192 8.753 -0.430 1.00 44.34 O ATOM 1286 CB HIS B 108 1.467 8.873 -3.330 1.00 15.11 C ATOM 1287 CG HIS B 108 1.254 9.361 -4.746 1.00 75.05 C ATOM 1288 ND1 HIS B 108 2.296 9.731 -5.570 1.00 54.22 N ATOM 1289 CD2 HIS B 108 0.125 9.553 -5.477 1.00 61.14 C ATOM 1290 CE1 HIS B 108 1.819 10.127 -6.728 1.00 65.12 C ATOM 1291 NE2 HIS B 108 0.512 10.027 -6.695 1.00 73.01 N ATOM 0 H HIS B 108 -0.302 10.455 -2.410 1.00 12.43 H new ATOM 0 HA HIS B 108 -0.262 7.603 -3.117 1.00 11.30 H new ATOM 0 HB2 HIS B 108 1.950 9.667 -2.760 1.00 15.11 H new ATOM 0 HB3 HIS B 108 2.160 8.032 -3.355 1.00 15.11 H new ATOM 0 HD2 HIS B 108 -0.888 9.365 -5.154 1.00 61.14 H new ATOM 0 HE1 HIS B 108 2.404 10.476 -7.566 1.00 65.12 H new ATOM 0 HE2 HIS B 108 -0.117 10.267 -7.461 1.00 73.01 H new ATOM 1300 N ILE B 109 0.081 6.804 -0.732 1.00 34.13 N ATOM 1301 CA ILE B 109 0.370 6.254 0.617 1.00 33.03 C ATOM 1302 C ILE B 109 1.852 5.842 0.734 1.00 62.10 C ATOM 1303 O ILE B 109 2.573 5.776 -0.265 1.00 0.54 O ATOM 1304 CB ILE B 109 -0.545 5.011 0.947 1.00 12.12 C ATOM 1305 CG1 ILE B 109 -0.263 3.845 -0.060 1.00 35.41 C ATOM 1306 CG2 ILE B 109 -2.038 5.416 0.962 1.00 20.14 C ATOM 1307 CD1 ILE B 109 -1.127 2.604 0.102 1.00 43.21 C ATOM 0 H ILE B 109 -0.498 6.195 -1.310 1.00 34.13 H new ATOM 0 HA ILE B 109 0.155 7.044 1.337 1.00 33.03 H new ATOM 0 HB ILE B 109 -0.301 4.649 1.946 1.00 12.12 H new ATOM 0 HG12 ILE B 109 -0.394 4.226 -1.073 1.00 35.41 H new ATOM 0 HG13 ILE B 109 0.782 3.552 0.037 1.00 35.41 H new ATOM 0 HG21 ILE B 109 -2.649 4.543 1.192 1.00 20.14 H new ATOM 0 HG22 ILE B 109 -2.200 6.182 1.720 1.00 20.14 H new ATOM 0 HG23 ILE B 109 -2.318 5.808 -0.015 1.00 20.14 H new ATOM 0 HD11 ILE B 109 -0.845 1.864 -0.647 1.00 43.21 H new ATOM 0 HD12 ILE B 109 -0.981 2.186 1.098 1.00 43.21 H new ATOM 0 HD13 ILE B 109 -2.176 2.871 -0.029 1.00 43.21 H new ATOM 1319 N VAL B 110 2.281 5.538 1.959 1.00 65.23 N ATOM 1320 CA VAL B 110 3.672 5.159 2.260 1.00 71.11 C ATOM 1321 C VAL B 110 3.748 3.691 2.691 1.00 1.21 C ATOM 1322 O VAL B 110 3.087 3.267 3.646 1.00 44.24 O ATOM 1323 CB VAL B 110 4.313 6.104 3.355 1.00 11.31 C ATOM 1324 CG1 VAL B 110 4.891 7.369 2.708 1.00 24.04 C ATOM 1325 CG2 VAL B 110 3.279 6.482 4.450 1.00 12.13 C ATOM 0 H VAL B 110 1.674 5.546 2.779 1.00 65.23 H new ATOM 0 HA VAL B 110 4.254 5.282 1.346 1.00 71.11 H new ATOM 0 HB VAL B 110 5.124 5.554 3.832 1.00 11.31 H new ATOM 0 HG11 VAL B 110 5.327 8.005 3.478 1.00 24.04 H new ATOM 0 HG12 VAL B 110 5.661 7.090 1.989 1.00 24.04 H new ATOM 0 HG13 VAL B 110 4.096 7.912 2.196 1.00 24.04 H new ATOM 0 HG21 VAL B 110 3.751 7.132 5.187 1.00 12.13 H new ATOM 0 HG22 VAL B 110 2.438 7.003 3.992 1.00 12.13 H new ATOM 0 HG23 VAL B 110 2.921 5.577 4.940 1.00 12.13 H new ATOM 1335 N VAL B 111 4.555 2.927 1.946 1.00 73.34 N ATOM 1336 CA VAL B 111 4.813 1.495 2.194 1.00 1.31 C ATOM 1337 C VAL B 111 6.328 1.228 2.081 1.00 32.24 C ATOM 1338 O VAL B 111 7.036 1.937 1.356 1.00 41.52 O ATOM 1339 CB VAL B 111 4.026 0.556 1.190 1.00 1.34 C ATOM 1340 CG1 VAL B 111 2.492 0.719 1.328 1.00 62.31 C ATOM 1341 CG2 VAL B 111 4.481 0.780 -0.275 1.00 4.31 C ATOM 0 H VAL B 111 5.059 3.289 1.137 1.00 73.34 H new ATOM 0 HA VAL B 111 4.457 1.261 3.197 1.00 1.31 H new ATOM 0 HB VAL B 111 4.270 -0.471 1.461 1.00 1.34 H new ATOM 0 HG11 VAL B 111 1.991 0.057 0.622 1.00 62.31 H new ATOM 0 HG12 VAL B 111 2.189 0.463 2.343 1.00 62.31 H new ATOM 0 HG13 VAL B 111 2.215 1.752 1.117 1.00 62.31 H new ATOM 0 HG21 VAL B 111 3.920 0.119 -0.935 1.00 4.31 H new ATOM 0 HG22 VAL B 111 4.298 1.817 -0.558 1.00 4.31 H new ATOM 0 HG23 VAL B 111 5.545 0.562 -0.363 1.00 4.31 H new ATOM 1351 N GLY B 112 6.819 0.215 2.802 1.00 73.40 N ATOM 1352 CA GLY B 112 8.231 -0.152 2.751 1.00 12.15 C ATOM 1353 C GLY B 112 8.510 -1.421 3.521 1.00 64.44 C ATOM 1354 O GLY B 112 7.741 -2.379 3.429 1.00 44.21 O ATOM 0 H GLY B 112 6.257 -0.363 3.427 1.00 73.40 H new ATOM 0 HA2 GLY B 112 8.535 -0.283 1.712 1.00 12.15 H new ATOM 0 HA3 GLY B 112 8.832 0.660 3.159 1.00 12.15 H new ATOM 1358 N GLY B 113 9.621 -1.437 4.265 1.00 52.45 N ATOM 1359 CA GLY B 113 10.002 -2.581 5.086 1.00 43.44 C ATOM 1360 C GLY B 113 11.308 -3.160 4.606 1.00 51.11 C ATOM 1361 O GLY B 113 12.055 -2.477 3.895 1.00 45.40 O ATOM 0 H GLY B 113 10.277 -0.657 4.312 1.00 52.45 H new ATOM 0 HA2 GLY B 113 10.094 -2.274 6.128 1.00 43.44 H new ATOM 0 HA3 GLY B 113 9.223 -3.342 5.045 1.00 43.44 H new ATOM 1365 N GLU B 114 11.580 -4.421 4.961 1.00 31.42 N ATOM 1366 CA GLU B 114 12.846 -5.083 4.622 1.00 15.32 C ATOM 1367 C GLU B 114 12.799 -5.631 3.203 1.00 72.34 C ATOM 1368 O GLU B 114 11.859 -6.344 2.821 1.00 43.35 O ATOM 1369 CB GLU B 114 13.183 -6.216 5.624 1.00 74.24 C ATOM 1370 CG GLU B 114 13.681 -5.711 6.982 1.00 21.34 C ATOM 1371 CD GLU B 114 13.991 -6.853 7.951 1.00 4.42 C ATOM 1372 OE1 GLU B 114 13.073 -7.332 8.639 1.00 22.32 O ATOM 1373 OE2 GLU B 114 15.158 -7.298 8.002 1.00 31.30 O ATOM 0 H GLU B 114 10.934 -5.008 5.488 1.00 31.42 H new ATOM 0 HA GLU B 114 13.636 -4.334 4.686 1.00 15.32 H new ATOM 0 HB2 GLU B 114 12.295 -6.829 5.778 1.00 74.24 H new ATOM 0 HB3 GLU B 114 13.944 -6.862 5.186 1.00 74.24 H new ATOM 0 HG2 GLU B 114 14.578 -5.109 6.836 1.00 21.34 H new ATOM 0 HG3 GLU B 114 12.927 -5.059 7.423 1.00 21.34 H new ATOM 1380 N LEU B 115 13.815 -5.250 2.436 1.00 24.11 N ATOM 1381 CA LEU B 115 14.127 -5.836 1.133 1.00 41.43 C ATOM 1382 C LEU B 115 15.200 -6.925 1.333 1.00 22.20 C ATOM 1383 O LEU B 115 15.752 -7.075 2.429 1.00 13.34 O ATOM 1384 CB LEU B 115 14.632 -4.742 0.138 1.00 52.13 C ATOM 1385 CG LEU B 115 13.607 -3.642 -0.332 1.00 0.50 C ATOM 1386 CD1 LEU B 115 12.363 -4.254 -0.978 1.00 0.34 C ATOM 1387 CD2 LEU B 115 13.213 -2.689 0.796 1.00 34.23 C ATOM 0 H LEU B 115 14.460 -4.508 2.707 1.00 24.11 H new ATOM 0 HA LEU B 115 13.227 -6.277 0.704 1.00 41.43 H new ATOM 0 HB2 LEU B 115 15.478 -4.234 0.601 1.00 52.13 H new ATOM 0 HB3 LEU B 115 15.011 -5.247 -0.750 1.00 52.13 H new ATOM 0 HG LEU B 115 14.126 -3.056 -1.090 1.00 0.50 H new ATOM 0 HD11 LEU B 115 11.685 -3.459 -1.286 1.00 0.34 H new ATOM 0 HD12 LEU B 115 12.656 -4.839 -1.850 1.00 0.34 H new ATOM 0 HD13 LEU B 115 11.861 -4.901 -0.259 1.00 0.34 H new ATOM 0 HD21 LEU B 115 12.505 -1.951 0.418 1.00 34.23 H new ATOM 0 HD22 LEU B 115 12.751 -3.254 1.605 1.00 34.23 H new ATOM 0 HD23 LEU B 115 14.102 -2.181 1.170 1.00 34.23 H new ATOM 1399 N LYS B 116 15.459 -7.706 0.283 1.00 31.25 N ATOM 1400 CA LYS B 116 16.559 -8.688 0.247 1.00 44.20 C ATOM 1401 C LYS B 116 17.922 -7.972 0.171 1.00 51.33 C ATOM 1402 O LYS B 116 18.892 -8.376 0.821 1.00 33.31 O ATOM 1403 CB LYS B 116 16.387 -9.624 -0.968 1.00 45.21 C ATOM 1404 CG LYS B 116 15.074 -10.431 -0.968 1.00 44.34 C ATOM 1405 CD LYS B 116 14.916 -11.256 -2.264 1.00 64.21 C ATOM 1406 CE LYS B 116 13.578 -11.992 -2.349 1.00 71.24 C ATOM 1407 NZ LYS B 116 13.405 -12.684 -3.650 1.00 2.42 N ATOM 0 H LYS B 116 14.910 -7.679 -0.576 1.00 31.25 H new ATOM 0 HA LYS B 116 16.529 -9.279 1.163 1.00 44.20 H new ATOM 0 HB2 LYS B 116 16.433 -9.028 -1.880 1.00 45.21 H new ATOM 0 HB3 LYS B 116 17.226 -10.319 -0.998 1.00 45.21 H new ATOM 0 HG2 LYS B 116 15.056 -11.098 -0.106 1.00 44.34 H new ATOM 0 HG3 LYS B 116 14.228 -9.752 -0.863 1.00 44.34 H new ATOM 0 HD2 LYS B 116 15.014 -10.593 -3.124 1.00 64.21 H new ATOM 0 HD3 LYS B 116 15.727 -11.981 -2.327 1.00 64.21 H new ATOM 0 HE2 LYS B 116 13.513 -12.720 -1.540 1.00 71.24 H new ATOM 0 HE3 LYS B 116 12.764 -11.282 -2.205 1.00 71.24 H new ATOM 0 HZ1 LYS B 116 12.426 -13.025 -3.734 1.00 2.42 H new ATOM 0 HZ2 LYS B 116 13.609 -12.022 -4.425 1.00 2.42 H new ATOM 0 HZ3 LYS B 116 14.059 -13.491 -3.704 1.00 2.42 H new ATOM 1421 N ASP B 117 17.959 -6.891 -0.614 1.00 63.53 N ATOM 1422 CA ASP B 117 19.175 -6.102 -0.880 1.00 10.44 C ATOM 1423 C ASP B 117 18.831 -4.608 -0.753 1.00 34.42 C ATOM 1424 O ASP B 117 17.659 -4.242 -0.841 1.00 4.34 O ATOM 1425 CB ASP B 117 19.706 -6.446 -2.300 1.00 61.51 C ATOM 1426 CG ASP B 117 21.010 -5.720 -2.679 1.00 5.14 C ATOM 1427 OD1 ASP B 117 22.095 -6.180 -2.275 1.00 13.43 O ATOM 1428 OD2 ASP B 117 20.959 -4.687 -3.376 1.00 52.14 O ATOM 0 H ASP B 117 17.134 -6.530 -1.092 1.00 63.53 H new ATOM 0 HA ASP B 117 19.958 -6.340 -0.160 1.00 10.44 H new ATOM 0 HB2 ASP B 117 19.871 -7.522 -2.363 1.00 61.51 H new ATOM 0 HB3 ASP B 117 18.939 -6.197 -3.033 1.00 61.51 H new ATOM 1433 N VAL B 118 19.849 -3.760 -0.541 1.00 2.23 N ATOM 1434 CA VAL B 118 19.669 -2.299 -0.415 1.00 75.41 C ATOM 1435 C VAL B 118 19.068 -1.685 -1.705 1.00 33.44 C ATOM 1436 O VAL B 118 18.127 -0.889 -1.647 1.00 13.23 O ATOM 1437 CB VAL B 118 21.023 -1.576 -0.046 1.00 4.52 C ATOM 1438 CG1 VAL B 118 21.475 -1.944 1.386 1.00 14.43 C ATOM 1439 CG2 VAL B 118 22.150 -1.880 -1.073 1.00 4.54 C ATOM 0 H VAL B 118 20.819 -4.063 -0.452 1.00 2.23 H new ATOM 0 HA VAL B 118 18.964 -2.138 0.400 1.00 75.41 H new ATOM 0 HB VAL B 118 20.831 -0.504 -0.084 1.00 4.52 H new ATOM 0 HG11 VAL B 118 22.410 -1.433 1.615 1.00 14.43 H new ATOM 0 HG12 VAL B 118 20.710 -1.638 2.099 1.00 14.43 H new ATOM 0 HG13 VAL B 118 21.624 -3.022 1.455 1.00 14.43 H new ATOM 0 HG21 VAL B 118 23.062 -1.361 -0.777 1.00 4.54 H new ATOM 0 HG22 VAL B 118 22.337 -2.954 -1.101 1.00 4.54 H new ATOM 0 HG23 VAL B 118 21.843 -1.539 -2.062 1.00 4.54 H new ATOM 1449 N ALA B 119 19.618 -2.082 -2.858 1.00 72.22 N ATOM 1450 CA ALA B 119 19.194 -1.593 -4.182 1.00 23.30 C ATOM 1451 C ALA B 119 18.217 -2.576 -4.855 1.00 44.14 C ATOM 1452 O ALA B 119 17.621 -2.251 -5.891 1.00 15.02 O ATOM 1453 CB ALA B 119 20.434 -1.355 -5.058 1.00 2.35 C ATOM 0 H ALA B 119 20.379 -2.760 -2.902 1.00 72.22 H new ATOM 0 HA ALA B 119 18.661 -0.650 -4.057 1.00 23.30 H new ATOM 0 HB1 ALA B 119 20.123 -0.993 -6.038 1.00 2.35 H new ATOM 0 HB2 ALA B 119 21.077 -0.613 -4.585 1.00 2.35 H new ATOM 0 HB3 ALA B 119 20.983 -2.290 -5.174 1.00 2.35 H new ATOM 1459 N GLY B 120 18.101 -3.793 -4.286 1.00 22.10 N ATOM 1460 CA GLY B 120 17.136 -4.794 -4.747 1.00 24.32 C ATOM 1461 C GLY B 120 15.754 -4.530 -4.175 1.00 55.55 C ATOM 1462 O GLY B 120 15.558 -4.696 -2.974 1.00 12.32 O ATOM 0 H GLY B 120 18.673 -4.102 -3.500 1.00 22.10 H new ATOM 0 HA2 GLY B 120 17.090 -4.784 -5.836 1.00 24.32 H new ATOM 0 HA3 GLY B 120 17.471 -5.788 -4.452 1.00 24.32 H new ATOM 1466 N VAL B 121 14.779 -4.160 -5.040 1.00 10.22 N ATOM 1467 CA VAL B 121 13.411 -3.756 -4.606 1.00 63.14 C ATOM 1468 C VAL B 121 12.472 -4.995 -4.404 1.00 33.34 C ATOM 1469 O VAL B 121 11.238 -4.884 -4.354 1.00 64.33 O ATOM 1470 CB VAL B 121 12.800 -2.689 -5.610 1.00 71.03 C ATOM 1471 CG1 VAL B 121 12.406 -3.308 -6.967 1.00 73.22 C ATOM 1472 CG2 VAL B 121 11.622 -1.897 -4.982 1.00 72.12 C ATOM 0 H VAL B 121 14.912 -4.132 -6.051 1.00 10.22 H new ATOM 0 HA VAL B 121 13.493 -3.278 -3.630 1.00 63.14 H new ATOM 0 HB VAL B 121 13.599 -1.974 -5.810 1.00 71.03 H new ATOM 0 HG11 VAL B 121 11.994 -2.534 -7.614 1.00 73.22 H new ATOM 0 HG12 VAL B 121 13.287 -3.743 -7.438 1.00 73.22 H new ATOM 0 HG13 VAL B 121 11.658 -4.085 -6.809 1.00 73.22 H new ATOM 0 HG21 VAL B 121 11.238 -1.180 -5.707 1.00 72.12 H new ATOM 0 HG22 VAL B 121 10.828 -2.588 -4.700 1.00 72.12 H new ATOM 0 HG23 VAL B 121 11.972 -1.366 -4.097 1.00 72.12 H new ATOM 1482 N GLU B 122 13.098 -6.162 -4.174 1.00 1.44 N ATOM 1483 CA GLU B 122 12.410 -7.424 -3.862 1.00 73.04 C ATOM 1484 C GLU B 122 12.292 -7.521 -2.337 1.00 44.11 C ATOM 1485 O GLU B 122 13.321 -7.550 -1.661 1.00 52.02 O ATOM 1486 CB GLU B 122 13.226 -8.635 -4.380 1.00 53.03 C ATOM 1487 CG GLU B 122 13.504 -8.654 -5.889 1.00 34.14 C ATOM 1488 CD GLU B 122 14.356 -9.869 -6.313 1.00 50.33 C ATOM 1489 OE1 GLU B 122 13.963 -11.016 -6.009 1.00 55.41 O ATOM 1490 OE2 GLU B 122 15.403 -9.694 -6.974 1.00 22.23 O ATOM 0 H GLU B 122 14.113 -6.255 -4.200 1.00 1.44 H new ATOM 0 HA GLU B 122 11.431 -7.438 -4.341 1.00 73.04 H new ATOM 0 HB2 GLU B 122 14.180 -8.659 -3.853 1.00 53.03 H new ATOM 0 HB3 GLU B 122 12.693 -9.548 -4.116 1.00 53.03 H new ATOM 0 HG2 GLU B 122 12.558 -8.670 -6.430 1.00 34.14 H new ATOM 0 HG3 GLU B 122 14.018 -7.736 -6.173 1.00 34.14 H new ATOM 1497 N PHE B 123 11.061 -7.514 -1.805 1.00 2.33 N ATOM 1498 CA PHE B 123 10.821 -7.652 -0.352 1.00 54.12 C ATOM 1499 C PHE B 123 11.430 -8.969 0.195 1.00 21.30 C ATOM 1500 O PHE B 123 11.310 -10.020 -0.436 1.00 55.53 O ATOM 1501 CB PHE B 123 9.299 -7.561 -0.055 1.00 61.21 C ATOM 1502 CG PHE B 123 8.716 -6.164 -0.305 1.00 70.01 C ATOM 1503 CD1 PHE B 123 9.181 -5.060 0.421 1.00 42.23 C ATOM 1504 CD2 PHE B 123 7.687 -5.954 -1.229 1.00 0.31 C ATOM 1505 CE1 PHE B 123 8.656 -3.796 0.211 1.00 61.35 C ATOM 1506 CE2 PHE B 123 7.164 -4.688 -1.438 1.00 53.11 C ATOM 1507 CZ PHE B 123 7.640 -3.612 -0.710 1.00 1.44 C ATOM 0 H PHE B 123 10.210 -7.414 -2.358 1.00 2.33 H new ATOM 0 HA PHE B 123 11.321 -6.832 0.164 1.00 54.12 H new ATOM 0 HB2 PHE B 123 8.771 -8.284 -0.676 1.00 61.21 H new ATOM 0 HB3 PHE B 123 9.121 -7.841 0.983 1.00 61.21 H new ATOM 0 HD1 PHE B 123 9.961 -5.197 1.156 1.00 42.23 H new ATOM 0 HD2 PHE B 123 7.294 -6.791 -1.788 1.00 0.31 H new ATOM 0 HE1 PHE B 123 9.040 -2.953 0.767 1.00 61.35 H new ATOM 0 HE2 PHE B 123 6.384 -4.541 -2.170 1.00 53.11 H new ATOM 0 HZ PHE B 123 7.219 -2.629 -0.861 1.00 1.44 H new ATOM 1517 N ARG B 124 12.127 -8.871 1.345 1.00 72.21 N ATOM 1518 CA ARG B 124 12.748 -10.030 2.038 1.00 55.53 C ATOM 1519 C ARG B 124 11.699 -11.106 2.343 1.00 52.43 C ATOM 1520 O ARG B 124 11.953 -12.306 2.209 1.00 60.41 O ATOM 1521 CB ARG B 124 13.425 -9.555 3.342 1.00 55.53 C ATOM 1522 CG ARG B 124 14.130 -10.670 4.144 1.00 21.30 C ATOM 1523 CD ARG B 124 14.831 -10.135 5.397 1.00 71.40 C ATOM 1524 NE ARG B 124 15.529 -11.209 6.134 1.00 25.43 N ATOM 1525 CZ ARG B 124 15.944 -11.141 7.412 1.00 31.41 C ATOM 1526 NH1 ARG B 124 15.742 -10.054 8.148 1.00 50.51 N ATOM 1527 NH2 ARG B 124 16.551 -12.182 7.954 1.00 0.31 N ATOM 0 H ARG B 124 12.279 -7.984 1.825 1.00 72.21 H new ATOM 0 HA ARG B 124 13.501 -10.468 1.383 1.00 55.53 H new ATOM 0 HB2 ARG B 124 14.156 -8.785 3.096 1.00 55.53 H new ATOM 0 HB3 ARG B 124 12.672 -9.089 3.978 1.00 55.53 H new ATOM 0 HG2 ARG B 124 13.398 -11.423 4.435 1.00 21.30 H new ATOM 0 HG3 ARG B 124 14.861 -11.166 3.506 1.00 21.30 H new ATOM 0 HD2 ARG B 124 15.547 -9.364 5.112 1.00 71.40 H new ATOM 0 HD3 ARG B 124 14.098 -9.663 6.050 1.00 71.40 H new ATOM 0 HE ARG B 124 15.712 -12.077 5.630 1.00 25.43 H new ATOM 0 HH11 ARG B 124 15.263 -9.248 7.746 1.00 50.51 H new ATOM 0 HH12 ARG B 124 16.066 -10.025 9.115 1.00 50.51 H new ATOM 0 HH21 ARG B 124 16.701 -13.028 7.404 1.00 0.31 H new ATOM 0 HH22 ARG B 124 16.869 -12.140 8.922 1.00 0.31 H new ATOM 1541 N ASP B 125 10.526 -10.629 2.745 1.00 71.43 N ATOM 1542 CA ASP B 125 9.318 -11.426 2.910 1.00 63.52 C ATOM 1543 C ASP B 125 8.153 -10.440 2.972 1.00 64.53 C ATOM 1544 O ASP B 125 8.330 -9.269 3.348 1.00 21.14 O ATOM 1545 CB ASP B 125 9.381 -12.330 4.179 1.00 25.42 C ATOM 1546 CG ASP B 125 8.236 -13.361 4.248 1.00 12.02 C ATOM 1547 OD1 ASP B 125 8.330 -14.407 3.573 1.00 43.12 O ATOM 1548 OD2 ASP B 125 7.229 -13.123 4.946 1.00 75.05 O ATOM 0 H ASP B 125 10.386 -9.644 2.972 1.00 71.43 H new ATOM 0 HA ASP B 125 9.197 -12.116 2.075 1.00 63.52 H new ATOM 0 HB2 ASP B 125 10.336 -12.855 4.196 1.00 25.42 H new ATOM 0 HB3 ASP B 125 9.348 -11.700 5.068 1.00 25.42 H new ATOM 1553 N LEU B 126 6.971 -10.893 2.569 1.00 13.54 N ATOM 1554 CA LEU B 126 5.784 -10.043 2.465 1.00 74.43 C ATOM 1555 C LEU B 126 5.129 -9.787 3.832 1.00 35.33 C ATOM 1556 O LEU B 126 4.239 -8.944 3.942 1.00 20.33 O ATOM 1557 CB LEU B 126 4.804 -10.642 1.429 1.00 64.21 C ATOM 1558 CG LEU B 126 5.364 -10.767 -0.036 1.00 3.45 C ATOM 1559 CD1 LEU B 126 6.086 -9.484 -0.504 1.00 32.13 C ATOM 1560 CD2 LEU B 126 6.240 -12.018 -0.232 1.00 15.11 C ATOM 0 H LEU B 126 6.805 -11.864 2.303 1.00 13.54 H new ATOM 0 HA LEU B 126 6.089 -9.059 2.108 1.00 74.43 H new ATOM 0 HB2 LEU B 126 4.502 -11.632 1.770 1.00 64.21 H new ATOM 0 HB3 LEU B 126 3.906 -10.025 1.405 1.00 64.21 H new ATOM 0 HG LEU B 126 4.492 -10.892 -0.678 1.00 3.45 H new ATOM 0 HD11 LEU B 126 6.453 -9.623 -1.521 1.00 32.13 H new ATOM 0 HD12 LEU B 126 5.390 -8.646 -0.481 1.00 32.13 H new ATOM 0 HD13 LEU B 126 6.925 -9.276 0.160 1.00 32.13 H new ATOM 0 HD21 LEU B 126 6.599 -12.053 -1.261 1.00 15.11 H new ATOM 0 HD22 LEU B 126 7.091 -11.977 0.448 1.00 15.11 H new ATOM 0 HD23 LEU B 126 5.651 -12.911 -0.022 1.00 15.11 H new ATOM 1572 N SER B 127 5.600 -10.497 4.871 1.00 11.13 N ATOM 1573 CA SER B 127 5.272 -10.192 6.278 1.00 55.12 C ATOM 1574 C SER B 127 6.234 -9.108 6.829 1.00 43.24 C ATOM 1575 O SER B 127 5.944 -8.465 7.845 1.00 53.22 O ATOM 1576 CB SER B 127 5.360 -11.487 7.121 1.00 22.33 C ATOM 1577 OG SER B 127 4.595 -12.532 6.538 1.00 33.13 O ATOM 0 H SER B 127 6.220 -11.300 4.761 1.00 11.13 H new ATOM 0 HA SER B 127 4.256 -9.803 6.338 1.00 55.12 H new ATOM 0 HB2 SER B 127 6.401 -11.799 7.206 1.00 22.33 H new ATOM 0 HB3 SER B 127 5.002 -11.291 8.132 1.00 22.33 H new ATOM 0 HG SER B 127 5.156 -13.039 5.914 1.00 33.13 H new ATOM 1583 N LYS B 128 7.390 -8.924 6.146 1.00 31.35 N ATOM 1584 CA LYS B 128 8.393 -7.887 6.493 1.00 32.21 C ATOM 1585 C LYS B 128 8.067 -6.546 5.811 1.00 4.43 C ATOM 1586 O LYS B 128 8.775 -5.555 6.030 1.00 72.14 O ATOM 1587 CB LYS B 128 9.825 -8.349 6.087 1.00 12.21 C ATOM 1588 CG LYS B 128 10.257 -9.705 6.678 1.00 45.34 C ATOM 1589 CD LYS B 128 10.343 -9.703 8.220 1.00 45.24 C ATOM 1590 CE LYS B 128 10.631 -11.101 8.783 1.00 35.14 C ATOM 1591 NZ LYS B 128 10.759 -11.095 10.261 1.00 70.34 N ATOM 0 H LYS B 128 7.653 -9.490 5.339 1.00 31.35 H new ATOM 0 HA LYS B 128 8.357 -7.744 7.573 1.00 32.21 H new ATOM 0 HB2 LYS B 128 9.878 -8.409 5.000 1.00 12.21 H new ATOM 0 HB3 LYS B 128 10.540 -7.588 6.400 1.00 12.21 H new ATOM 0 HG2 LYS B 128 9.550 -10.472 6.362 1.00 45.34 H new ATOM 0 HG3 LYS B 128 11.229 -9.979 6.268 1.00 45.34 H new ATOM 0 HD2 LYS B 128 11.127 -9.016 8.538 1.00 45.24 H new ATOM 0 HD3 LYS B 128 9.406 -9.331 8.635 1.00 45.24 H new ATOM 0 HE2 LYS B 128 9.829 -11.780 8.492 1.00 35.14 H new ATOM 0 HE3 LYS B 128 11.550 -11.486 8.342 1.00 35.14 H new ATOM 0 HZ1 LYS B 128 10.953 -12.060 10.597 1.00 70.34 H new ATOM 0 HZ2 LYS B 128 11.541 -10.468 10.539 1.00 70.34 H new ATOM 0 HZ3 LYS B 128 9.873 -10.753 10.685 1.00 70.34 H new ATOM 1605 N VAL B 129 7.018 -6.532 4.952 1.00 64.23 N ATOM 1606 CA VAL B 129 6.504 -5.293 4.342 1.00 40.35 C ATOM 1607 C VAL B 129 5.825 -4.452 5.428 1.00 35.42 C ATOM 1608 O VAL B 129 4.664 -4.695 5.787 1.00 40.44 O ATOM 1609 CB VAL B 129 5.484 -5.548 3.163 1.00 1.12 C ATOM 1610 CG1 VAL B 129 5.006 -4.215 2.512 1.00 21.25 C ATOM 1611 CG2 VAL B 129 6.087 -6.480 2.105 1.00 31.12 C ATOM 0 H VAL B 129 6.513 -7.372 4.669 1.00 64.23 H new ATOM 0 HA VAL B 129 7.357 -4.771 3.908 1.00 40.35 H new ATOM 0 HB VAL B 129 4.610 -6.036 3.594 1.00 1.12 H new ATOM 0 HG11 VAL B 129 4.306 -4.434 1.706 1.00 21.25 H new ATOM 0 HG12 VAL B 129 4.512 -3.599 3.264 1.00 21.25 H new ATOM 0 HG13 VAL B 129 5.865 -3.678 2.110 1.00 21.25 H new ATOM 0 HG21 VAL B 129 5.364 -6.639 1.305 1.00 31.12 H new ATOM 0 HG22 VAL B 129 6.990 -6.028 1.694 1.00 31.12 H new ATOM 0 HG23 VAL B 129 6.337 -7.437 2.563 1.00 31.12 H new ATOM 1621 N GLU B 130 6.588 -3.512 5.996 1.00 70.34 N ATOM 1622 CA GLU B 130 6.059 -2.555 6.954 1.00 33.10 C ATOM 1623 C GLU B 130 5.317 -1.457 6.183 1.00 3.44 C ATOM 1624 O GLU B 130 5.938 -0.627 5.495 1.00 51.55 O ATOM 1625 CB GLU B 130 7.174 -1.933 7.824 1.00 50.41 C ATOM 1626 CG GLU B 130 6.637 -0.946 8.889 1.00 54.32 C ATOM 1627 CD GLU B 130 7.741 -0.223 9.663 1.00 72.24 C ATOM 1628 OE1 GLU B 130 8.369 -0.841 10.550 1.00 2.41 O ATOM 1629 OE2 GLU B 130 7.997 0.964 9.384 1.00 40.04 O ATOM 0 H GLU B 130 7.583 -3.399 5.801 1.00 70.34 H new ATOM 0 HA GLU B 130 5.380 -3.075 7.630 1.00 33.10 H new ATOM 0 HB2 GLU B 130 7.725 -2.731 8.322 1.00 50.41 H new ATOM 0 HB3 GLU B 130 7.881 -1.412 7.179 1.00 50.41 H new ATOM 0 HG2 GLU B 130 6.003 -0.206 8.400 1.00 54.32 H new ATOM 0 HG3 GLU B 130 6.008 -1.490 9.593 1.00 54.32 H new ATOM 1636 N PHE B 131 3.990 -1.496 6.261 1.00 23.43 N ATOM 1637 CA PHE B 131 3.133 -0.451 5.720 1.00 32.53 C ATOM 1638 C PHE B 131 3.252 0.747 6.663 1.00 24.45 C ATOM 1639 O PHE B 131 2.690 0.736 7.766 1.00 73.11 O ATOM 1640 CB PHE B 131 1.670 -0.951 5.602 1.00 62.32 C ATOM 1641 CG PHE B 131 1.522 -2.204 4.736 1.00 20.13 C ATOM 1642 CD1 PHE B 131 1.319 -2.103 3.360 1.00 43.20 C ATOM 1643 CD2 PHE B 131 1.603 -3.484 5.297 1.00 13.15 C ATOM 1644 CE1 PHE B 131 1.203 -3.232 2.576 1.00 4.41 C ATOM 1645 CE2 PHE B 131 1.486 -4.609 4.508 1.00 44.40 C ATOM 1646 CZ PHE B 131 1.288 -4.482 3.150 1.00 33.44 C ATOM 0 H PHE B 131 3.478 -2.259 6.704 1.00 23.43 H new ATOM 0 HA PHE B 131 3.439 -0.167 4.713 1.00 32.53 H new ATOM 0 HB2 PHE B 131 1.284 -1.161 6.600 1.00 62.32 H new ATOM 0 HB3 PHE B 131 1.055 -0.155 5.183 1.00 62.32 H new ATOM 0 HD1 PHE B 131 1.252 -1.127 2.902 1.00 43.20 H new ATOM 0 HD2 PHE B 131 1.759 -3.592 6.360 1.00 13.15 H new ATOM 0 HE1 PHE B 131 1.045 -3.136 1.512 1.00 4.41 H new ATOM 0 HE2 PHE B 131 1.550 -5.590 4.955 1.00 44.40 H new ATOM 0 HZ PHE B 131 1.199 -5.365 2.534 1.00 33.44 H new ATOM 1656 N VAL B 132 4.061 1.732 6.240 1.00 41.04 N ATOM 1657 CA VAL B 132 4.373 2.938 7.029 1.00 23.51 C ATOM 1658 C VAL B 132 3.078 3.683 7.414 1.00 2.03 C ATOM 1659 O VAL B 132 2.983 4.281 8.490 1.00 21.11 O ATOM 1660 CB VAL B 132 5.337 3.890 6.232 1.00 55.20 C ATOM 1661 CG1 VAL B 132 5.670 5.179 7.022 1.00 32.54 C ATOM 1662 CG2 VAL B 132 6.622 3.147 5.802 1.00 0.25 C ATOM 0 H VAL B 132 4.523 1.714 5.331 1.00 41.04 H new ATOM 0 HA VAL B 132 4.878 2.626 7.943 1.00 23.51 H new ATOM 0 HB VAL B 132 4.808 4.200 5.330 1.00 55.20 H new ATOM 0 HG11 VAL B 132 6.339 5.805 6.431 1.00 32.54 H new ATOM 0 HG12 VAL B 132 4.750 5.726 7.230 1.00 32.54 H new ATOM 0 HG13 VAL B 132 6.156 4.915 7.961 1.00 32.54 H new ATOM 0 HG21 VAL B 132 7.270 3.830 5.253 1.00 0.25 H new ATOM 0 HG22 VAL B 132 7.145 2.783 6.686 1.00 0.25 H new ATOM 0 HG23 VAL B 132 6.358 2.304 5.163 1.00 0.25 H new ATOM 1672 N GLY B 133 2.082 3.611 6.514 1.00 34.32 N ATOM 1673 CA GLY B 133 0.744 4.122 6.766 1.00 34.11 C ATOM 1674 C GLY B 133 0.267 4.988 5.626 1.00 32.42 C ATOM 1675 O GLY B 133 0.441 4.623 4.450 1.00 14.11 O ATOM 0 H GLY B 133 2.194 3.193 5.590 1.00 34.32 H new ATOM 0 HA2 GLY B 133 0.055 3.290 6.907 1.00 34.11 H new ATOM 0 HA3 GLY B 133 0.740 4.699 7.691 1.00 34.11 H new ATOM 1679 N ALA B 134 -0.310 6.139 5.972 1.00 1.14 N ATOM 1680 CA ALA B 134 -0.855 7.093 5.009 1.00 61.41 C ATOM 1681 C ALA B 134 -1.088 8.440 5.702 1.00 55.21 C ATOM 1682 O ALA B 134 -1.322 8.497 6.916 1.00 22.42 O ATOM 1683 CB ALA B 134 -2.162 6.560 4.404 1.00 14.42 C ATOM 0 H ALA B 134 -0.413 6.438 6.942 1.00 1.14 H new ATOM 0 HA ALA B 134 -0.141 7.230 4.197 1.00 61.41 H new ATOM 0 HB1 ALA B 134 -2.554 7.284 3.689 1.00 14.42 H new ATOM 0 HB2 ALA B 134 -1.969 5.615 3.895 1.00 14.42 H new ATOM 0 HB3 ALA B 134 -2.892 6.402 5.197 1.00 14.42 H new ATOM 1689 N TYR B 135 -1.024 9.513 4.914 1.00 12.05 N ATOM 1690 CA TYR B 135 -1.133 10.903 5.394 1.00 1.34 C ATOM 1691 C TYR B 135 -2.239 11.620 4.607 1.00 3.32 C ATOM 1692 O TYR B 135 -2.547 11.189 3.507 1.00 21.30 O ATOM 1693 CB TYR B 135 0.240 11.601 5.206 1.00 14.35 C ATOM 1694 CG TYR B 135 1.334 11.053 6.135 1.00 61.44 C ATOM 1695 CD1 TYR B 135 2.118 9.957 5.765 1.00 45.45 C ATOM 1696 CD2 TYR B 135 1.560 11.615 7.396 1.00 24.50 C ATOM 1697 CE1 TYR B 135 3.083 9.450 6.609 1.00 3.13 C ATOM 1698 CE2 TYR B 135 2.526 11.108 8.241 1.00 75.00 C ATOM 1699 CZ TYR B 135 3.284 10.027 7.844 1.00 62.22 C ATOM 1700 OH TYR B 135 4.250 9.520 8.687 1.00 55.13 O ATOM 0 H TYR B 135 -0.893 9.446 3.905 1.00 12.05 H new ATOM 0 HA TYR B 135 -1.396 10.931 6.451 1.00 1.34 H new ATOM 0 HB2 TYR B 135 0.560 11.484 4.171 1.00 14.35 H new ATOM 0 HB3 TYR B 135 0.124 12.670 5.385 1.00 14.35 H new ATOM 0 HD1 TYR B 135 1.965 9.498 4.799 1.00 45.45 H new ATOM 0 HD2 TYR B 135 0.968 12.461 7.714 1.00 24.50 H new ATOM 0 HE1 TYR B 135 3.680 8.603 6.303 1.00 3.13 H new ATOM 0 HE2 TYR B 135 2.688 11.557 9.210 1.00 75.00 H new ATOM 0 HH TYR B 135 4.265 10.040 9.517 1.00 55.13 H new ATOM 1710 N PRO B 136 -2.852 12.734 5.130 1.00 74.03 N ATOM 1711 CA PRO B 136 -3.961 13.444 4.415 1.00 3.24 C ATOM 1712 C PRO B 136 -3.509 14.215 3.145 1.00 42.11 C ATOM 1713 O PRO B 136 -4.321 14.917 2.527 1.00 34.34 O ATOM 1714 CB PRO B 136 -4.509 14.404 5.502 1.00 23.41 C ATOM 1715 CG PRO B 136 -3.323 14.683 6.384 1.00 54.14 C ATOM 1716 CD PRO B 136 -2.543 13.383 6.441 1.00 41.00 C ATOM 0 HA PRO B 136 -4.699 12.745 4.022 1.00 3.24 H new ATOM 0 HB2 PRO B 136 -4.902 15.321 5.062 1.00 23.41 H new ATOM 0 HB3 PRO B 136 -5.323 13.946 6.063 1.00 23.41 H new ATOM 0 HG2 PRO B 136 -2.713 15.489 5.977 1.00 54.14 H new ATOM 0 HG3 PRO B 136 -3.639 14.994 7.380 1.00 54.14 H new ATOM 0 HD2 PRO B 136 -1.474 13.561 6.559 1.00 41.00 H new ATOM 0 HD3 PRO B 136 -2.857 12.763 7.280 1.00 41.00 H new ATOM 1724 N SER B 137 -2.225 14.051 2.758 1.00 54.11 N ATOM 1725 CA SER B 137 -1.628 14.712 1.595 1.00 41.32 C ATOM 1726 C SER B 137 -0.429 13.890 1.092 1.00 25.04 C ATOM 1727 O SER B 137 0.277 13.252 1.892 1.00 62.42 O ATOM 1728 CB SER B 137 -1.185 16.149 1.975 1.00 74.43 C ATOM 1729 OG SER B 137 -0.499 16.803 0.921 1.00 74.30 O ATOM 0 H SER B 137 -1.572 13.446 3.257 1.00 54.11 H new ATOM 0 HA SER B 137 -2.366 14.778 0.796 1.00 41.32 H new ATOM 0 HB2 SER B 137 -2.062 16.735 2.252 1.00 74.43 H new ATOM 0 HB3 SER B 137 -0.540 16.107 2.853 1.00 74.43 H new ATOM 0 HG SER B 137 -0.242 17.704 1.207 1.00 74.30 H new ATOM 1735 N TYR B 138 -0.218 13.910 -0.244 1.00 32.32 N ATOM 1736 CA TYR B 138 0.940 13.271 -0.895 1.00 1.13 C ATOM 1737 C TYR B 138 2.256 13.879 -0.387 1.00 20.33 C ATOM 1738 O TYR B 138 3.204 13.147 -0.137 1.00 31.14 O ATOM 1739 CB TYR B 138 0.832 13.381 -2.454 1.00 43.31 C ATOM 1740 CG TYR B 138 2.143 13.109 -3.243 1.00 31.05 C ATOM 1741 CD1 TYR B 138 2.941 11.985 -2.985 1.00 32.05 C ATOM 1742 CD2 TYR B 138 2.584 13.989 -4.237 1.00 20.44 C ATOM 1743 CE1 TYR B 138 4.123 11.761 -3.665 1.00 2.21 C ATOM 1744 CE2 TYR B 138 3.765 13.758 -4.926 1.00 32.51 C ATOM 1745 CZ TYR B 138 4.528 12.646 -4.636 1.00 5.11 C ATOM 1746 OH TYR B 138 5.713 12.426 -5.308 1.00 52.41 O ATOM 0 H TYR B 138 -0.849 14.372 -0.899 1.00 32.32 H new ATOM 0 HA TYR B 138 0.937 12.213 -0.633 1.00 1.13 H new ATOM 0 HB2 TYR B 138 0.071 12.680 -2.797 1.00 43.31 H new ATOM 0 HB3 TYR B 138 0.480 14.381 -2.705 1.00 43.31 H new ATOM 0 HD1 TYR B 138 2.623 11.276 -2.235 1.00 32.05 H new ATOM 0 HD2 TYR B 138 1.995 14.863 -4.472 1.00 20.44 H new ATOM 0 HE1 TYR B 138 4.726 10.895 -3.435 1.00 2.21 H new ATOM 0 HE2 TYR B 138 4.088 14.449 -5.690 1.00 32.51 H new ATOM 0 HH TYR B 138 5.855 13.141 -5.963 1.00 52.41 H new ATOM 1756 N ASP B 139 2.280 15.215 -0.233 1.00 65.41 N ATOM 1757 CA ASP B 139 3.485 15.970 0.178 1.00 74.02 C ATOM 1758 C ASP B 139 4.015 15.501 1.551 1.00 50.04 C ATOM 1759 O ASP B 139 5.233 15.399 1.765 1.00 64.42 O ATOM 1760 CB ASP B 139 3.168 17.489 0.197 1.00 5.12 C ATOM 1761 CG ASP B 139 4.402 18.368 0.462 1.00 54.34 C ATOM 1762 OD1 ASP B 139 5.247 18.507 -0.451 1.00 43.35 O ATOM 1763 OD2 ASP B 139 4.541 18.909 1.577 1.00 42.14 O ATOM 0 H ASP B 139 1.464 15.806 -0.390 1.00 65.41 H new ATOM 0 HA ASP B 139 4.273 15.777 -0.550 1.00 74.02 H new ATOM 0 HB2 ASP B 139 2.728 17.773 -0.759 1.00 5.12 H new ATOM 0 HB3 ASP B 139 2.419 17.687 0.964 1.00 5.12 H new ATOM 1768 N GLU B 140 3.073 15.175 2.451 1.00 21.33 N ATOM 1769 CA GLU B 140 3.382 14.668 3.798 1.00 72.44 C ATOM 1770 C GLU B 140 3.988 13.255 3.713 1.00 10.42 C ATOM 1771 O GLU B 140 4.944 12.931 4.426 1.00 60.03 O ATOM 1772 CB GLU B 140 2.101 14.647 4.671 1.00 52.42 C ATOM 1773 CG GLU B 140 1.302 15.963 4.691 1.00 54.32 C ATOM 1774 CD GLU B 140 2.156 17.214 4.949 1.00 14.34 C ATOM 1775 OE1 GLU B 140 2.653 17.380 6.080 1.00 45.31 O ATOM 1776 OE2 GLU B 140 2.312 18.049 4.027 1.00 4.44 O ATOM 0 H GLU B 140 2.073 15.256 2.265 1.00 21.33 H new ATOM 0 HA GLU B 140 4.111 15.334 4.260 1.00 72.44 H new ATOM 0 HB2 GLU B 140 1.449 13.850 4.313 1.00 52.42 H new ATOM 0 HB3 GLU B 140 2.381 14.395 5.694 1.00 52.42 H new ATOM 0 HG2 GLU B 140 0.788 16.078 3.736 1.00 54.32 H new ATOM 0 HG3 GLU B 140 0.533 15.897 5.461 1.00 54.32 H new ATOM 1783 N ALA B 141 3.423 12.433 2.809 1.00 41.12 N ATOM 1784 CA ALA B 141 3.880 11.062 2.565 1.00 42.31 C ATOM 1785 C ALA B 141 5.240 11.049 1.828 1.00 32.32 C ATOM 1786 O ALA B 141 6.081 10.171 2.061 1.00 75.52 O ATOM 1787 CB ALA B 141 2.800 10.313 1.772 1.00 20.21 C ATOM 0 H ALA B 141 2.632 12.708 2.227 1.00 41.12 H new ATOM 0 HA ALA B 141 4.037 10.556 3.518 1.00 42.31 H new ATOM 0 HB1 ALA B 141 3.129 9.291 1.584 1.00 20.21 H new ATOM 0 HB2 ALA B 141 1.873 10.296 2.346 1.00 20.21 H new ATOM 0 HB3 ALA B 141 2.629 10.819 0.822 1.00 20.21 H new ATOM 1793 N HIS B 142 5.463 12.073 0.984 1.00 30.10 N ATOM 1794 CA HIS B 142 6.686 12.213 0.175 1.00 22.35 C ATOM 1795 C HIS B 142 7.879 12.538 1.085 1.00 73.44 C ATOM 1796 O HIS B 142 9.000 12.098 0.835 1.00 10.20 O ATOM 1797 CB HIS B 142 6.492 13.311 -0.913 1.00 73.14 C ATOM 1798 CG HIS B 142 7.637 13.469 -1.891 1.00 34.55 C ATOM 1799 ND1 HIS B 142 7.818 14.594 -2.664 1.00 32.03 N ATOM 1800 CD2 HIS B 142 8.641 12.627 -2.240 1.00 23.21 C ATOM 1801 CE1 HIS B 142 8.868 14.432 -3.439 1.00 41.24 C ATOM 1802 NE2 HIS B 142 9.385 13.249 -3.201 1.00 3.10 N ATOM 0 H HIS B 142 4.795 12.831 0.844 1.00 30.10 H new ATOM 0 HA HIS B 142 6.890 11.271 -0.334 1.00 22.35 H new ATOM 0 HB2 HIS B 142 5.586 13.085 -1.475 1.00 73.14 H new ATOM 0 HB3 HIS B 142 6.328 14.267 -0.415 1.00 73.14 H new ATOM 0 HD1 HIS B 142 7.228 15.426 -2.639 1.00 32.03 H new ATOM 0 HD2 HIS B 142 8.820 11.643 -1.832 1.00 23.21 H new ATOM 0 HE1 HIS B 142 9.242 15.152 -4.152 1.00 41.24 H new ATOM 1811 N LYS B 143 7.606 13.293 2.150 1.00 40.22 N ATOM 1812 CA LYS B 143 8.608 13.653 3.154 1.00 32.43 C ATOM 1813 C LYS B 143 8.830 12.474 4.121 1.00 41.31 C ATOM 1814 O LYS B 143 9.953 12.240 4.589 1.00 34.43 O ATOM 1815 CB LYS B 143 8.144 14.922 3.918 1.00 42.41 C ATOM 1816 CG LYS B 143 9.210 15.543 4.852 1.00 4.22 C ATOM 1817 CD LYS B 143 10.507 15.932 4.101 1.00 74.15 C ATOM 1818 CE LYS B 143 10.289 17.020 3.031 1.00 64.13 C ATOM 1819 NZ LYS B 143 11.540 17.314 2.282 1.00 44.13 N ATOM 0 H LYS B 143 6.679 13.674 2.341 1.00 40.22 H new ATOM 0 HA LYS B 143 9.557 13.872 2.664 1.00 32.43 H new ATOM 0 HB2 LYS B 143 7.835 15.674 3.192 1.00 42.41 H new ATOM 0 HB3 LYS B 143 7.264 14.671 4.510 1.00 42.41 H new ATOM 0 HG2 LYS B 143 8.794 16.428 5.334 1.00 4.22 H new ATOM 0 HG3 LYS B 143 9.452 14.833 5.643 1.00 4.22 H new ATOM 0 HD2 LYS B 143 11.245 16.284 4.822 1.00 74.15 H new ATOM 0 HD3 LYS B 143 10.924 15.044 3.626 1.00 74.15 H new ATOM 0 HE2 LYS B 143 9.516 16.696 2.335 1.00 64.13 H new ATOM 0 HE3 LYS B 143 9.927 17.931 3.507 1.00 64.13 H new ATOM 0 HZ1 LYS B 143 11.354 18.050 1.571 1.00 44.13 H new ATOM 0 HZ2 LYS B 143 12.270 17.647 2.943 1.00 44.13 H new ATOM 0 HZ3 LYS B 143 11.871 16.450 1.807 1.00 44.13 H new ATOM 1833 N ALA B 144 7.737 11.717 4.378 1.00 61.14 N ATOM 1834 CA ALA B 144 7.737 10.568 5.299 1.00 42.21 C ATOM 1835 C ALA B 144 8.603 9.410 4.783 1.00 10.12 C ATOM 1836 O ALA B 144 9.063 8.594 5.577 1.00 64.14 O ATOM 1837 CB ALA B 144 6.312 10.089 5.545 1.00 71.23 C ATOM 0 H ALA B 144 6.829 11.892 3.947 1.00 61.14 H new ATOM 0 HA ALA B 144 8.173 10.907 6.239 1.00 42.21 H new ATOM 0 HB1 ALA B 144 6.327 9.239 6.228 1.00 71.23 H new ATOM 0 HB2 ALA B 144 5.727 10.897 5.984 1.00 71.23 H new ATOM 0 HB3 ALA B 144 5.861 9.787 4.600 1.00 71.23 H new ATOM 1843 N TRP B 145 8.818 9.372 3.453 1.00 63.52 N ATOM 1844 CA TRP B 145 9.672 8.380 2.778 1.00 40.25 C ATOM 1845 C TRP B 145 11.095 8.392 3.391 1.00 42.12 C ATOM 1846 O TRP B 145 11.616 7.348 3.814 1.00 34.33 O ATOM 1847 CB TRP B 145 9.667 8.673 1.218 1.00 25.54 C ATOM 1848 CG TRP B 145 11.013 8.528 0.519 1.00 44.52 C ATOM 1849 CD1 TRP B 145 11.605 7.376 0.094 1.00 40.41 C ATOM 1850 CD2 TRP B 145 11.929 9.590 0.179 1.00 74.24 C ATOM 1851 NE1 TRP B 145 12.839 7.647 -0.443 1.00 52.31 N ATOM 1852 CE2 TRP B 145 13.062 8.995 -0.401 1.00 52.44 C ATOM 1853 CE3 TRP B 145 11.907 10.982 0.336 1.00 43.41 C ATOM 1854 CZ2 TRP B 145 14.156 9.738 -0.839 1.00 13.00 C ATOM 1855 CZ3 TRP B 145 12.992 11.716 -0.096 1.00 54.20 C ATOM 1856 CH2 TRP B 145 14.103 11.094 -0.671 1.00 42.44 C ATOM 0 H TRP B 145 8.396 10.041 2.809 1.00 63.52 H new ATOM 0 HA TRP B 145 9.282 7.373 2.928 1.00 40.25 H new ATOM 0 HB2 TRP B 145 8.955 7.999 0.742 1.00 25.54 H new ATOM 0 HB3 TRP B 145 9.301 9.687 1.058 1.00 25.54 H new ATOM 0 HD1 TRP B 145 11.166 6.392 0.169 1.00 40.41 H new ATOM 0 HE1 TRP B 145 13.487 6.952 -0.815 1.00 52.31 H new ATOM 0 HE3 TRP B 145 11.056 11.471 0.787 1.00 43.41 H new ATOM 0 HZ2 TRP B 145 15.012 9.262 -1.293 1.00 13.00 H new ATOM 0 HZ3 TRP B 145 12.983 12.791 0.012 1.00 54.20 H new ATOM 0 HH2 TRP B 145 14.939 11.698 -0.990 1.00 42.44 H new ATOM 1867 N LYS B 146 11.697 9.592 3.453 1.00 2.33 N ATOM 1868 CA LYS B 146 13.067 9.763 3.971 1.00 33.33 C ATOM 1869 C LYS B 146 13.061 9.976 5.488 1.00 64.22 C ATOM 1870 O LYS B 146 14.052 9.694 6.155 1.00 50.13 O ATOM 1871 CB LYS B 146 13.783 10.914 3.237 1.00 53.22 C ATOM 1872 CG LYS B 146 15.270 11.104 3.609 1.00 62.21 C ATOM 1873 CD LYS B 146 15.966 12.196 2.764 1.00 74.42 C ATOM 1874 CE LYS B 146 17.458 12.341 3.093 1.00 1.03 C ATOM 1875 NZ LYS B 146 18.109 13.395 2.270 1.00 12.23 N ATOM 0 H LYS B 146 11.256 10.460 3.150 1.00 2.33 H new ATOM 0 HA LYS B 146 13.625 8.847 3.777 1.00 33.33 H new ATOM 0 HB2 LYS B 146 13.713 10.739 2.163 1.00 53.22 H new ATOM 0 HB3 LYS B 146 13.251 11.843 3.444 1.00 53.22 H new ATOM 0 HG2 LYS B 146 15.345 11.366 4.665 1.00 62.21 H new ATOM 0 HG3 LYS B 146 15.796 10.159 3.477 1.00 62.21 H new ATOM 0 HD2 LYS B 146 15.853 11.958 1.706 1.00 74.42 H new ATOM 0 HD3 LYS B 146 15.467 13.151 2.930 1.00 74.42 H new ATOM 0 HE2 LYS B 146 17.575 12.582 4.150 1.00 1.03 H new ATOM 0 HE3 LYS B 146 17.961 11.388 2.926 1.00 1.03 H new ATOM 0 HZ1 LYS B 146 19.116 13.461 2.523 1.00 12.23 H new ATOM 0 HZ2 LYS B 146 18.021 13.153 1.262 1.00 12.23 H new ATOM 0 HZ3 LYS B 146 17.647 14.309 2.448 1.00 12.23 H new ATOM 1889 N ALA B 147 11.924 10.444 6.037 1.00 45.34 N ATOM 1890 CA ALA B 147 11.731 10.545 7.500 1.00 4.14 C ATOM 1891 C ALA B 147 11.781 9.149 8.151 1.00 55.42 C ATOM 1892 O ALA B 147 12.103 9.014 9.328 1.00 5.30 O ATOM 1893 CB ALA B 147 10.406 11.242 7.816 1.00 43.35 C ATOM 0 H ALA B 147 11.123 10.759 5.490 1.00 45.34 H new ATOM 0 HA ALA B 147 12.542 11.143 7.915 1.00 4.14 H new ATOM 0 HB1 ALA B 147 10.279 11.309 8.896 1.00 43.35 H new ATOM 0 HB2 ALA B 147 10.411 12.245 7.389 1.00 43.35 H new ATOM 0 HB3 ALA B 147 9.583 10.670 7.388 1.00 43.35 H new ATOM 1899 N LYS B 148 11.441 8.125 7.358 1.00 75.11 N ATOM 1900 CA LYS B 148 11.596 6.721 7.731 1.00 21.05 C ATOM 1901 C LYS B 148 13.035 6.260 7.512 1.00 60.23 C ATOM 1902 O LYS B 148 13.648 5.716 8.425 1.00 75.41 O ATOM 1903 CB LYS B 148 10.612 5.862 6.902 1.00 23.44 C ATOM 1904 CG LYS B 148 9.148 5.988 7.350 1.00 71.51 C ATOM 1905 CD LYS B 148 8.912 5.503 8.799 1.00 4.31 C ATOM 1906 CE LYS B 148 9.253 4.019 8.982 1.00 54.34 C ATOM 1907 NZ LYS B 148 8.825 3.509 10.310 1.00 3.35 N ATOM 0 H LYS B 148 11.045 8.255 6.427 1.00 75.11 H new ATOM 0 HA LYS B 148 11.369 6.603 8.791 1.00 21.05 H new ATOM 0 HB2 LYS B 148 10.687 6.150 5.854 1.00 23.44 H new ATOM 0 HB3 LYS B 148 10.913 4.817 6.967 1.00 23.44 H new ATOM 0 HG2 LYS B 148 8.837 7.030 7.267 1.00 71.51 H new ATOM 0 HG3 LYS B 148 8.517 5.412 6.673 1.00 71.51 H new ATOM 0 HD2 LYS B 148 9.518 6.099 9.482 1.00 4.31 H new ATOM 0 HD3 LYS B 148 7.869 5.669 9.070 1.00 4.31 H new ATOM 0 HE2 LYS B 148 8.770 3.437 8.197 1.00 54.34 H new ATOM 0 HE3 LYS B 148 10.328 3.877 8.868 1.00 54.34 H new ATOM 0 HZ1 LYS B 148 8.480 2.533 10.212 1.00 3.35 H new ATOM 0 HZ2 LYS B 148 9.632 3.526 10.965 1.00 3.35 H new ATOM 0 HZ3 LYS B 148 8.063 4.110 10.684 1.00 3.35 H new ATOM 1921 N ALA B 149 13.553 6.515 6.297 1.00 0.54 N ATOM 1922 CA ALA B 149 14.917 6.111 5.873 1.00 63.52 C ATOM 1923 C ALA B 149 16.021 6.584 6.861 1.00 30.21 C ATOM 1924 O ALA B 149 16.980 5.852 7.136 1.00 72.40 O ATOM 1925 CB ALA B 149 15.182 6.649 4.458 1.00 70.02 C ATOM 0 H ALA B 149 13.036 7.012 5.571 1.00 0.54 H new ATOM 0 HA ALA B 149 14.960 5.022 5.873 1.00 63.52 H new ATOM 0 HB1 ALA B 149 16.182 6.356 4.139 1.00 70.02 H new ATOM 0 HB2 ALA B 149 14.446 6.236 3.768 1.00 70.02 H new ATOM 0 HB3 ALA B 149 15.106 7.736 4.462 1.00 70.02 H new ATOM 1931 N GLN B 150 15.841 7.804 7.399 1.00 51.22 N ATOM 1932 CA GLN B 150 16.760 8.423 8.384 1.00 13.03 C ATOM 1933 C GLN B 150 16.512 7.873 9.800 1.00 65.54 C ATOM 1934 O GLN B 150 17.430 7.816 10.625 1.00 45.13 O ATOM 1935 CB GLN B 150 16.573 9.965 8.390 1.00 70.20 C ATOM 1936 CG GLN B 150 16.931 10.671 7.067 1.00 73.33 C ATOM 1937 CD GLN B 150 16.542 12.158 7.024 1.00 73.24 C ATOM 1938 OE1 GLN B 150 17.224 12.974 6.399 1.00 4.45 O ATOM 1939 NE2 GLN B 150 15.419 12.519 7.645 1.00 11.43 N ATOM 0 H GLN B 150 15.046 8.398 7.162 1.00 51.22 H new ATOM 0 HA GLN B 150 17.780 8.176 8.090 1.00 13.03 H new ATOM 0 HB2 GLN B 150 15.535 10.189 8.634 1.00 70.20 H new ATOM 0 HB3 GLN B 150 17.186 10.387 9.187 1.00 70.20 H new ATOM 0 HG2 GLN B 150 18.004 10.582 6.899 1.00 73.33 H new ATOM 0 HG3 GLN B 150 16.436 10.153 6.246 1.00 73.33 H new ATOM 0 HE21 GLN B 150 14.873 11.825 8.155 1.00 11.43 H new ATOM 0 HE22 GLN B 150 15.106 13.489 7.610 1.00 11.43 H new ATOM 1948 N ALA B 151 15.256 7.481 10.075 1.00 42.51 N ATOM 1949 CA ALA B 151 14.849 6.963 11.399 1.00 12.31 C ATOM 1950 C ALA B 151 15.157 5.465 11.545 1.00 22.20 C ATOM 1951 O ALA B 151 14.962 4.902 12.625 1.00 22.40 O ATOM 1952 CB ALA B 151 13.353 7.240 11.642 1.00 12.40 C ATOM 0 H ALA B 151 14.497 7.512 9.394 1.00 42.51 H new ATOM 0 HA ALA B 151 15.432 7.487 12.156 1.00 12.31 H new ATOM 0 HB1 ALA B 151 13.066 6.854 12.620 1.00 12.40 H new ATOM 0 HB2 ALA B 151 13.172 8.314 11.608 1.00 12.40 H new ATOM 0 HB3 ALA B 151 12.762 6.748 10.870 1.00 12.40 H new ATOM 1958 N THR B 152 15.620 4.817 10.451 1.00 52.00 N ATOM 1959 CA THR B 152 15.888 3.363 10.428 1.00 51.33 C ATOM 1960 C THR B 152 17.313 3.050 9.921 1.00 62.12 C ATOM 1961 O THR B 152 17.542 2.022 9.271 1.00 0.01 O ATOM 1962 CB THR B 152 14.820 2.629 9.550 1.00 0.34 C ATOM 1963 OG1 THR B 152 14.898 3.100 8.194 1.00 62.31 O ATOM 1964 CG2 THR B 152 13.385 2.837 10.087 1.00 64.31 C ATOM 0 H THR B 152 15.817 5.285 9.566 1.00 52.00 H new ATOM 0 HA THR B 152 15.819 2.997 11.453 1.00 51.33 H new ATOM 0 HB THR B 152 15.039 1.562 9.590 1.00 0.34 H new ATOM 0 HG1 THR B 152 14.514 4.000 8.138 1.00 62.31 H new ATOM 0 HG21 THR B 152 12.677 2.310 9.447 1.00 64.31 H new ATOM 0 HG22 THR B 152 13.316 2.447 11.102 1.00 64.31 H new ATOM 0 HG23 THR B 152 13.149 3.901 10.091 1.00 64.31 H new ATOM 1972 N VAL B 153 18.280 3.920 10.275 1.00 14.11 N ATOM 1973 CA VAL B 153 19.709 3.750 9.899 1.00 52.44 C ATOM 1974 C VAL B 153 20.314 2.473 10.542 1.00 70.31 C ATOM 1975 O VAL B 153 21.200 1.832 9.958 1.00 43.55 O ATOM 1976 CB VAL B 153 20.556 5.033 10.272 1.00 53.40 C ATOM 1977 CG1 VAL B 153 22.077 4.839 10.027 1.00 30.52 C ATOM 1978 CG2 VAL B 153 20.040 6.266 9.494 1.00 5.51 C ATOM 0 H VAL B 153 18.100 4.759 10.827 1.00 14.11 H new ATOM 0 HA VAL B 153 19.752 3.627 8.817 1.00 52.44 H new ATOM 0 HB VAL B 153 20.424 5.198 11.341 1.00 53.40 H new ATOM 0 HG11 VAL B 153 22.609 5.751 10.300 1.00 30.52 H new ATOM 0 HG12 VAL B 153 22.441 4.011 10.635 1.00 30.52 H new ATOM 0 HG13 VAL B 153 22.251 4.619 8.974 1.00 30.52 H new ATOM 0 HG21 VAL B 153 20.634 7.140 9.762 1.00 5.51 H new ATOM 0 HG22 VAL B 153 20.127 6.083 8.423 1.00 5.51 H new ATOM 0 HG23 VAL B 153 18.995 6.445 9.748 1.00 5.51 H new ATOM 1988 N ASP B 154 19.803 2.104 11.733 1.00 55.41 N ATOM 1989 CA ASP B 154 20.210 0.869 12.442 1.00 20.10 C ATOM 1990 C ASP B 154 19.752 -0.396 11.682 1.00 72.41 C ATOM 1991 O ASP B 154 20.408 -1.441 11.762 1.00 61.35 O ATOM 1992 CB ASP B 154 19.640 0.853 13.885 1.00 73.33 C ATOM 1993 CG ASP B 154 20.207 1.983 14.768 1.00 2.53 C ATOM 1994 OD1 ASP B 154 21.320 1.835 15.306 1.00 4.40 O ATOM 1995 OD2 ASP B 154 19.547 3.032 14.909 1.00 20.44 O ATOM 0 H ASP B 154 19.099 2.649 12.231 1.00 55.41 H new ATOM 0 HA ASP B 154 21.299 0.863 12.489 1.00 20.10 H new ATOM 0 HB2 ASP B 154 18.555 0.942 13.842 1.00 73.33 H new ATOM 0 HB3 ASP B 154 19.863 -0.109 14.347 1.00 73.33 H new ATOM 2000 N ASN B 155 18.611 -0.297 10.962 1.00 4.22 N ATOM 2001 CA ASN B 155 18.073 -1.407 10.152 1.00 54.25 C ATOM 2002 C ASN B 155 18.948 -1.622 8.898 1.00 12.03 C ATOM 2003 O ASN B 155 19.544 -0.670 8.384 1.00 23.22 O ATOM 2004 CB ASN B 155 16.593 -1.145 9.758 1.00 54.11 C ATOM 2005 CG ASN B 155 15.750 -2.421 9.801 1.00 51.03 C ATOM 2006 OD1 ASN B 155 16.244 -3.529 9.637 1.00 11.11 O ATOM 2007 ND2 ASN B 155 14.477 -2.262 10.002 1.00 65.03 N ATOM 0 H ASN B 155 18.043 0.550 10.928 1.00 4.22 H new ATOM 0 HA ASN B 155 18.098 -2.316 10.753 1.00 54.25 H new ATOM 0 HB2 ASN B 155 16.164 -0.405 10.434 1.00 54.11 H new ATOM 0 HB3 ASN B 155 16.555 -0.720 8.755 1.00 54.11 H new ATOM 0 HD21 ASN B 155 13.859 -3.073 10.027 1.00 65.03 H new ATOM 0 HD22 ASN B 155 14.095 -1.326 10.135 1.00 65.03 H new ATOM 2014 N ALA B 156 19.003 -2.868 8.409 1.00 74.21 N ATOM 2015 CA ALA B 156 19.933 -3.272 7.335 1.00 30.34 C ATOM 2016 C ALA B 156 19.400 -2.886 5.930 1.00 22.14 C ATOM 2017 O ALA B 156 19.755 -1.833 5.383 1.00 64.12 O ATOM 2018 CB ALA B 156 20.219 -4.783 7.450 1.00 53.33 C ATOM 0 H ALA B 156 18.407 -3.626 8.743 1.00 74.21 H new ATOM 0 HA ALA B 156 20.869 -2.728 7.458 1.00 30.34 H new ATOM 0 HB1 ALA B 156 20.905 -5.085 6.659 1.00 53.33 H new ATOM 0 HB2 ALA B 156 20.668 -4.996 8.420 1.00 53.33 H new ATOM 0 HB3 ALA B 156 19.286 -5.338 7.353 1.00 53.33 H new ATOM 2024 N HIS B 157 18.522 -3.740 5.376 1.00 2.23 N ATOM 2025 CA HIS B 157 17.995 -3.615 4.000 1.00 45.31 C ATOM 2026 C HIS B 157 16.588 -2.992 3.980 1.00 22.10 C ATOM 2027 O HIS B 157 15.912 -3.023 2.942 1.00 43.52 O ATOM 2028 CB HIS B 157 17.960 -5.020 3.340 1.00 42.14 C ATOM 2029 CG HIS B 157 19.303 -5.704 3.243 1.00 13.11 C ATOM 2030 ND1 HIS B 157 20.461 -5.304 2.670 1.00 70.25 N flip ATOM 2031 CD2 HIS B 157 19.554 -6.970 3.737 1.00 53.31 C flip ATOM 2032 CE1 HIS B 157 21.366 -6.315 2.826 1.00 23.12 C flip ATOM 2033 NE2 HIS B 157 20.801 -7.307 3.471 1.00 12.40 N flip ATOM 0 H HIS B 157 18.152 -4.548 5.876 1.00 2.23 H new ATOM 0 HA HIS B 157 18.654 -2.951 3.441 1.00 45.31 H new ATOM 0 HB2 HIS B 157 17.283 -5.657 3.909 1.00 42.14 H new ATOM 0 HB3 HIS B 157 17.542 -4.926 2.338 1.00 42.14 H new ATOM 0 HD2 HIS B 157 18.839 -7.588 4.260 1.00 53.31 H new ATOM 0 HE1 HIS B 157 22.387 -6.300 2.473 1.00 23.12 H new ATOM 0 HE2 HIS B 157 21.249 -8.188 3.724 1.00 12.40 H new ATOM 2042 N ALA B 158 16.159 -2.420 5.117 1.00 45.43 N ATOM 2043 CA ALA B 158 14.843 -1.783 5.233 1.00 4.31 C ATOM 2044 C ALA B 158 14.848 -0.449 4.482 1.00 50.31 C ATOM 2045 O ALA B 158 15.476 0.521 4.920 1.00 22.51 O ATOM 2046 CB ALA B 158 14.433 -1.587 6.694 1.00 74.15 C ATOM 0 H ALA B 158 16.712 -2.388 5.974 1.00 45.43 H new ATOM 0 HA ALA B 158 14.103 -2.444 4.782 1.00 4.31 H new ATOM 0 HB1 ALA B 158 13.453 -1.112 6.736 1.00 74.15 H new ATOM 0 HB2 ALA B 158 14.389 -2.555 7.193 1.00 74.15 H new ATOM 0 HB3 ALA B 158 15.165 -0.953 7.195 1.00 74.15 H new ATOM 2052 N ARG B 159 14.173 -0.436 3.328 1.00 75.14 N ATOM 2053 CA ARG B 159 14.092 0.723 2.437 1.00 61.21 C ATOM 2054 C ARG B 159 12.614 1.042 2.217 1.00 71.00 C ATOM 2055 O ARG B 159 11.859 0.222 1.682 1.00 34.30 O ATOM 2056 CB ARG B 159 14.819 0.447 1.089 1.00 23.32 C ATOM 2057 CG ARG B 159 16.336 0.194 1.209 1.00 42.03 C ATOM 2058 CD ARG B 159 17.062 1.366 1.886 1.00 31.23 C ATOM 2059 NE ARG B 159 18.510 1.135 2.015 1.00 10.40 N ATOM 2060 CZ ARG B 159 19.151 0.875 3.165 1.00 4.12 C ATOM 2061 NH1 ARG B 159 18.497 0.801 4.325 1.00 30.21 N ATOM 2062 NH2 ARG B 159 20.465 0.728 3.147 1.00 73.31 N ATOM 0 H ARG B 159 13.659 -1.246 2.982 1.00 75.14 H new ATOM 0 HA ARG B 159 14.593 1.579 2.889 1.00 61.21 H new ATOM 0 HB2 ARG B 159 14.357 -0.419 0.615 1.00 23.32 H new ATOM 0 HB3 ARG B 159 14.659 1.297 0.426 1.00 23.32 H new ATOM 0 HG2 ARG B 159 16.508 -0.718 1.781 1.00 42.03 H new ATOM 0 HG3 ARG B 159 16.756 0.032 0.216 1.00 42.03 H new ATOM 0 HD2 ARG B 159 16.893 2.275 1.310 1.00 31.23 H new ATOM 0 HD3 ARG B 159 16.634 1.531 2.875 1.00 31.23 H new ATOM 0 HE ARG B 159 19.070 1.176 1.164 1.00 10.40 H new ATOM 0 HH11 ARG B 159 17.487 0.943 4.351 1.00 30.21 H new ATOM 0 HH12 ARG B 159 19.007 0.602 5.186 1.00 30.21 H new ATOM 0 HH21 ARG B 159 20.976 0.813 2.268 1.00 73.31 H new ATOM 0 HH22 ARG B 159 20.968 0.530 4.012 1.00 73.31 H new ATOM 2076 N TYR B 160 12.214 2.218 2.690 1.00 32.43 N ATOM 2077 CA TYR B 160 10.827 2.680 2.667 1.00 61.43 C ATOM 2078 C TYR B 160 10.618 3.567 1.450 1.00 4.12 C ATOM 2079 O TYR B 160 11.372 4.520 1.234 1.00 61.12 O ATOM 2080 CB TYR B 160 10.509 3.428 3.980 1.00 51.23 C ATOM 2081 CG TYR B 160 10.811 2.568 5.211 1.00 3.53 C ATOM 2082 CD1 TYR B 160 12.079 2.579 5.788 1.00 2.03 C ATOM 2083 CD2 TYR B 160 9.855 1.711 5.759 1.00 14.21 C ATOM 2084 CE1 TYR B 160 12.376 1.783 6.860 1.00 14.42 C ATOM 2085 CE2 TYR B 160 10.151 0.916 6.847 1.00 42.41 C ATOM 2086 CZ TYR B 160 11.417 0.955 7.391 1.00 34.02 C ATOM 2087 OH TYR B 160 11.737 0.156 8.466 1.00 12.51 O ATOM 0 H TYR B 160 12.856 2.891 3.109 1.00 32.43 H new ATOM 0 HA TYR B 160 10.145 1.833 2.593 1.00 61.43 H new ATOM 0 HB2 TYR B 160 11.094 4.347 4.026 1.00 51.23 H new ATOM 0 HB3 TYR B 160 9.458 3.718 3.988 1.00 51.23 H new ATOM 0 HD1 TYR B 160 12.841 3.228 5.382 1.00 2.03 H new ATOM 0 HD2 TYR B 160 8.867 1.670 5.324 1.00 14.21 H new ATOM 0 HE1 TYR B 160 13.367 1.805 7.290 1.00 14.42 H new ATOM 0 HE2 TYR B 160 9.397 0.268 7.269 1.00 42.41 H new ATOM 0 HH TYR B 160 10.953 -0.371 8.727 1.00 12.51 H new ATOM 2097 N PHE B 161 9.623 3.211 0.644 1.00 23.24 N ATOM 2098 CA PHE B 161 9.300 3.895 -0.613 1.00 72.23 C ATOM 2099 C PHE B 161 7.915 4.550 -0.493 1.00 31.24 C ATOM 2100 O PHE B 161 7.357 4.665 0.607 1.00 42.22 O ATOM 2101 CB PHE B 161 9.319 2.866 -1.776 1.00 41.40 C ATOM 2102 CG PHE B 161 10.641 2.109 -1.953 1.00 75.21 C ATOM 2103 CD1 PHE B 161 11.729 2.715 -2.572 1.00 14.34 C ATOM 2104 CD2 PHE B 161 10.783 0.787 -1.516 1.00 60.03 C ATOM 2105 CE1 PHE B 161 12.922 2.033 -2.747 1.00 20.31 C ATOM 2106 CE2 PHE B 161 11.976 0.107 -1.691 1.00 74.11 C ATOM 2107 CZ PHE B 161 13.043 0.728 -2.309 1.00 43.12 C ATOM 0 H PHE B 161 9.005 2.425 0.846 1.00 23.24 H new ATOM 0 HA PHE B 161 10.038 4.670 -0.818 1.00 72.23 H new ATOM 0 HB2 PHE B 161 8.522 2.141 -1.612 1.00 41.40 H new ATOM 0 HB3 PHE B 161 9.089 3.387 -2.705 1.00 41.40 H new ATOM 0 HD1 PHE B 161 11.642 3.733 -2.922 1.00 14.34 H new ATOM 0 HD2 PHE B 161 9.952 0.291 -1.036 1.00 60.03 H new ATOM 0 HE1 PHE B 161 13.758 2.521 -3.226 1.00 20.31 H new ATOM 0 HE2 PHE B 161 12.072 -0.911 -1.344 1.00 74.11 H new ATOM 0 HZ PHE B 161 13.971 0.194 -2.450 1.00 43.12 H new ATOM 2117 N ILE B 162 7.383 5.009 -1.631 1.00 53.24 N ATOM 2118 CA ILE B 162 6.007 5.516 -1.736 1.00 14.22 C ATOM 2119 C ILE B 162 5.252 4.652 -2.766 1.00 63.02 C ATOM 2120 O ILE B 162 5.873 4.061 -3.657 1.00 74.12 O ATOM 2121 CB ILE B 162 5.991 7.033 -2.184 1.00 42.52 C ATOM 2122 CG1 ILE B 162 7.082 7.857 -1.429 1.00 72.52 C ATOM 2123 CG2 ILE B 162 4.595 7.656 -1.961 1.00 14.13 C ATOM 2124 CD1 ILE B 162 7.291 9.262 -1.962 1.00 61.13 C ATOM 0 H ILE B 162 7.897 5.040 -2.512 1.00 53.24 H new ATOM 0 HA ILE B 162 5.524 5.456 -0.761 1.00 14.22 H new ATOM 0 HB ILE B 162 6.219 7.066 -3.249 1.00 42.52 H new ATOM 0 HG12 ILE B 162 6.808 7.919 -0.376 1.00 72.52 H new ATOM 0 HG13 ILE B 162 8.028 7.318 -1.482 1.00 72.52 H new ATOM 0 HG21 ILE B 162 4.608 8.699 -2.276 1.00 14.13 H new ATOM 0 HG22 ILE B 162 3.855 7.109 -2.546 1.00 14.13 H new ATOM 0 HG23 ILE B 162 4.336 7.599 -0.904 1.00 14.13 H new ATOM 0 HD11 ILE B 162 8.065 9.761 -1.379 1.00 61.13 H new ATOM 0 HD12 ILE B 162 7.598 9.213 -3.007 1.00 61.13 H new ATOM 0 HD13 ILE B 162 6.360 9.823 -1.884 1.00 61.13 H new ATOM 2136 N ILE B 163 3.929 4.566 -2.629 1.00 4.44 N ATOM 2137 CA ILE B 163 3.052 3.901 -3.607 1.00 20.14 C ATOM 2138 C ILE B 163 1.846 4.813 -3.866 1.00 34.41 C ATOM 2139 O ILE B 163 1.262 5.367 -2.931 1.00 50.23 O ATOM 2140 CB ILE B 163 2.621 2.431 -3.130 1.00 74.32 C ATOM 2141 CG1 ILE B 163 3.363 1.336 -3.972 1.00 3.13 C ATOM 2142 CG2 ILE B 163 1.091 2.196 -3.143 1.00 21.20 C ATOM 2143 CD1 ILE B 163 2.980 -0.101 -3.652 1.00 21.52 C ATOM 0 H ILE B 163 3.427 4.957 -1.832 1.00 4.44 H new ATOM 0 HA ILE B 163 3.593 3.748 -4.541 1.00 20.14 H new ATOM 0 HB ILE B 163 2.926 2.349 -2.087 1.00 74.32 H new ATOM 0 HG12 ILE B 163 3.168 1.520 -5.029 1.00 3.13 H new ATOM 0 HG13 ILE B 163 4.436 1.451 -3.821 1.00 3.13 H new ATOM 0 HG21 ILE B 163 0.876 1.181 -2.809 1.00 21.20 H new ATOM 0 HG22 ILE B 163 0.608 2.908 -2.474 1.00 21.20 H new ATOM 0 HG23 ILE B 163 0.710 2.333 -4.155 1.00 21.20 H new ATOM 0 HD11 ILE B 163 3.549 -0.779 -4.288 1.00 21.52 H new ATOM 0 HD12 ILE B 163 3.202 -0.312 -2.606 1.00 21.52 H new ATOM 0 HD13 ILE B 163 1.914 -0.242 -3.832 1.00 21.52 H new ATOM 2155 N HIS B 164 1.505 4.993 -5.147 1.00 11.33 N ATOM 2156 CA HIS B 164 0.339 5.779 -5.550 1.00 73.51 C ATOM 2157 C HIS B 164 -0.955 5.027 -5.212 1.00 70.50 C ATOM 2158 O HIS B 164 -1.238 3.962 -5.764 1.00 12.31 O ATOM 2159 CB HIS B 164 0.392 6.156 -7.050 1.00 4.22 C ATOM 2160 CG HIS B 164 0.561 4.995 -7.995 1.00 72.33 C ATOM 2161 ND1 HIS B 164 -0.483 4.192 -8.404 1.00 63.11 N ATOM 2162 CD2 HIS B 164 1.663 4.501 -8.599 1.00 63.42 C ATOM 2163 CE1 HIS B 164 -0.027 3.268 -9.212 1.00 60.02 C ATOM 2164 NE2 HIS B 164 1.273 3.434 -9.348 1.00 40.30 N ATOM 0 H HIS B 164 2.029 4.599 -5.929 1.00 11.33 H new ATOM 0 HA HIS B 164 0.353 6.712 -4.986 1.00 73.51 H new ATOM 0 HB2 HIS B 164 -0.526 6.684 -7.309 1.00 4.22 H new ATOM 0 HB3 HIS B 164 1.216 6.853 -7.205 1.00 4.22 H new ATOM 0 HD1 HIS B 164 -1.457 4.301 -8.122 1.00 63.11 H new ATOM 0 HD2 HIS B 164 2.669 4.883 -8.505 1.00 63.42 H new ATOM 0 HE1 HIS B 164 -0.618 2.499 -9.687 1.00 60.02 H new ATOM 2173 N ALA B 165 -1.702 5.574 -4.264 1.00 14.13 N ATOM 2174 CA ALA B 165 -3.047 5.102 -3.924 1.00 4.23 C ATOM 2175 C ALA B 165 -4.101 6.066 -4.481 1.00 13.45 C ATOM 2176 O ALA B 165 -5.270 6.010 -4.102 1.00 54.43 O ATOM 2177 CB ALA B 165 -3.144 4.953 -2.414 1.00 43.31 C ATOM 0 H ALA B 165 -1.393 6.366 -3.700 1.00 14.13 H new ATOM 0 HA ALA B 165 -3.237 4.129 -4.378 1.00 4.23 H new ATOM 0 HB1 ALA B 165 -4.141 4.602 -2.146 1.00 43.31 H new ATOM 0 HB2 ALA B 165 -2.401 4.233 -2.071 1.00 43.31 H new ATOM 0 HB3 ALA B 165 -2.960 5.917 -1.941 1.00 43.31 H new ATOM 2183 N HIS B 166 -3.654 6.960 -5.383 1.00 53.34 N ATOM 2184 CA HIS B 166 -4.535 7.858 -6.135 1.00 3.44 C ATOM 2185 C HIS B 166 -5.247 7.064 -7.245 1.00 62.25 C ATOM 2186 O HIS B 166 -6.406 7.335 -7.577 1.00 22.31 O ATOM 2187 CB HIS B 166 -3.722 9.042 -6.725 1.00 11.44 C ATOM 2188 CG HIS B 166 -4.586 10.159 -7.262 1.00 71.13 C ATOM 2189 ND1 HIS B 166 -4.992 11.220 -6.486 1.00 25.43 N ATOM 2190 CD2 HIS B 166 -5.143 10.362 -8.482 1.00 32.43 C ATOM 2191 CE1 HIS B 166 -5.762 12.017 -7.194 1.00 54.04 C ATOM 2192 NE2 HIS B 166 -5.866 11.520 -8.407 1.00 62.33 N ATOM 0 H HIS B 166 -2.666 7.076 -5.608 1.00 53.34 H new ATOM 0 HA HIS B 166 -5.288 8.274 -5.466 1.00 3.44 H new ATOM 0 HB2 HIS B 166 -3.065 9.441 -5.953 1.00 11.44 H new ATOM 0 HB3 HIS B 166 -3.083 8.670 -7.526 1.00 11.44 H new ATOM 0 HD1 HIS B 166 -4.735 11.366 -5.510 1.00 25.43 H new ATOM 0 HD2 HIS B 166 -5.036 9.728 -9.350 1.00 32.43 H new ATOM 0 HE1 HIS B 166 -6.229 12.924 -6.840 1.00 54.04 H new ATOM 2201 N LYS B 167 -4.522 6.082 -7.814 1.00 75.43 N ATOM 2202 CA LYS B 167 -5.063 5.135 -8.795 1.00 62.25 C ATOM 2203 C LYS B 167 -4.917 3.710 -8.243 1.00 43.52 C ATOM 2204 O LYS B 167 -3.799 3.173 -8.156 1.00 73.33 O ATOM 2205 CB LYS B 167 -4.353 5.269 -10.169 1.00 11.41 C ATOM 2206 CG LYS B 167 -4.946 4.357 -11.273 1.00 14.23 C ATOM 2207 CD LYS B 167 -4.292 4.569 -12.661 1.00 32.12 C ATOM 2208 CE LYS B 167 -4.968 3.722 -13.755 1.00 31.51 C ATOM 2209 NZ LYS B 167 -4.394 3.984 -15.101 1.00 65.00 N ATOM 0 H LYS B 167 -3.537 5.926 -7.601 1.00 75.43 H new ATOM 0 HA LYS B 167 -6.117 5.360 -8.959 1.00 62.25 H new ATOM 0 HB2 LYS B 167 -4.412 6.307 -10.498 1.00 11.41 H new ATOM 0 HB3 LYS B 167 -3.296 5.033 -10.045 1.00 11.41 H new ATOM 0 HG2 LYS B 167 -4.825 3.315 -10.977 1.00 14.23 H new ATOM 0 HG3 LYS B 167 -6.017 4.543 -11.352 1.00 14.23 H new ATOM 0 HD2 LYS B 167 -4.350 5.623 -12.932 1.00 32.12 H new ATOM 0 HD3 LYS B 167 -3.234 4.312 -12.606 1.00 32.12 H new ATOM 0 HE2 LYS B 167 -4.858 2.665 -13.514 1.00 31.51 H new ATOM 0 HE3 LYS B 167 -6.037 3.936 -13.769 1.00 31.51 H new ATOM 0 HZ1 LYS B 167 -4.879 3.393 -15.806 1.00 65.00 H new ATOM 0 HZ2 LYS B 167 -4.522 4.987 -15.344 1.00 65.00 H new ATOM 0 HZ3 LYS B 167 -3.379 3.756 -15.096 1.00 65.00 H new ATOM 2223 N LEU B 168 -6.049 3.148 -7.802 1.00 30.15 N ATOM 2224 CA LEU B 168 -6.161 1.767 -7.338 1.00 43.11 C ATOM 2225 C LEU B 168 -6.346 0.819 -8.542 1.00 21.33 C ATOM 2226 O LEU B 168 -7.018 1.171 -9.524 1.00 60.24 O ATOM 2227 CB LEU B 168 -7.379 1.636 -6.375 1.00 42.51 C ATOM 2228 CG LEU B 168 -7.333 2.440 -5.024 1.00 32.34 C ATOM 2229 CD1 LEU B 168 -6.088 2.087 -4.190 1.00 64.43 C ATOM 2230 CD2 LEU B 168 -7.475 3.969 -5.221 1.00 13.15 C ATOM 0 H LEU B 168 -6.932 3.657 -7.758 1.00 30.15 H new ATOM 0 HA LEU B 168 -5.249 1.494 -6.808 1.00 43.11 H new ATOM 0 HB2 LEU B 168 -8.271 1.945 -6.919 1.00 42.51 H new ATOM 0 HB3 LEU B 168 -7.503 0.580 -6.133 1.00 42.51 H new ATOM 0 HG LEU B 168 -8.209 2.125 -4.458 1.00 32.34 H new ATOM 0 HD11 LEU B 168 -6.094 2.664 -3.265 1.00 64.43 H new ATOM 0 HD12 LEU B 168 -6.098 1.023 -3.954 1.00 64.43 H new ATOM 0 HD13 LEU B 168 -5.189 2.324 -4.759 1.00 64.43 H new ATOM 0 HD21 LEU B 168 -7.435 4.466 -4.252 1.00 13.15 H new ATOM 0 HD22 LEU B 168 -6.661 4.332 -5.848 1.00 13.15 H new ATOM 0 HD23 LEU B 168 -8.429 4.187 -5.702 1.00 13.15 H new ATOM 2242 N LEU B 169 -5.746 -0.374 -8.454 1.00 43.41 N ATOM 2243 CA LEU B 169 -5.936 -1.450 -9.431 1.00 34.33 C ATOM 2244 C LEU B 169 -7.089 -2.343 -8.959 1.00 71.41 C ATOM 2245 O LEU B 169 -7.003 -2.970 -7.898 1.00 62.41 O ATOM 2246 CB LEU B 169 -4.647 -2.303 -9.597 1.00 5.14 C ATOM 2247 CG LEU B 169 -3.367 -1.550 -10.063 1.00 12.44 C ATOM 2248 CD1 LEU B 169 -2.185 -2.532 -10.203 1.00 34.41 C ATOM 2249 CD2 LEU B 169 -3.603 -0.757 -11.373 1.00 31.23 C ATOM 0 H LEU B 169 -5.110 -0.621 -7.696 1.00 43.41 H new ATOM 0 HA LEU B 169 -6.167 -1.007 -10.400 1.00 34.33 H new ATOM 0 HB2 LEU B 169 -4.431 -2.783 -8.642 1.00 5.14 H new ATOM 0 HB3 LEU B 169 -4.854 -3.098 -10.314 1.00 5.14 H new ATOM 0 HG LEU B 169 -3.116 -0.817 -9.296 1.00 12.44 H new ATOM 0 HD11 LEU B 169 -1.298 -1.989 -10.530 1.00 34.41 H new ATOM 0 HD12 LEU B 169 -1.988 -3.004 -9.240 1.00 34.41 H new ATOM 0 HD13 LEU B 169 -2.433 -3.298 -10.938 1.00 34.41 H new ATOM 0 HD21 LEU B 169 -2.683 -0.247 -11.661 1.00 31.23 H new ATOM 0 HD22 LEU B 169 -3.900 -1.444 -12.165 1.00 31.23 H new ATOM 0 HD23 LEU B 169 -4.392 -0.021 -11.216 1.00 31.23 H new ATOM 2261 N ASP B 170 -8.160 -2.373 -9.740 1.00 30.44 N ATOM 2262 CA ASP B 170 -9.320 -3.232 -9.487 1.00 4.45 C ATOM 2263 C ASP B 170 -9.730 -3.891 -10.822 1.00 4.25 C ATOM 2264 O ASP B 170 -9.964 -3.183 -11.800 1.00 75.34 O ATOM 2265 CB ASP B 170 -10.488 -2.412 -8.873 1.00 61.12 C ATOM 2266 CG ASP B 170 -11.681 -3.283 -8.415 1.00 64.12 C ATOM 2267 OD1 ASP B 170 -12.477 -3.701 -9.263 1.00 51.25 O ATOM 2268 OD2 ASP B 170 -11.833 -3.539 -7.209 1.00 73.30 O ATOM 0 H ASP B 170 -8.254 -1.798 -10.577 1.00 30.44 H new ATOM 0 HA ASP B 170 -9.066 -4.007 -8.763 1.00 4.45 H new ATOM 0 HB2 ASP B 170 -10.114 -1.845 -8.020 1.00 61.12 H new ATOM 0 HB3 ASP B 170 -10.839 -1.688 -9.608 1.00 61.12 H new ATOM 2273 N PRO B 171 -9.817 -5.254 -10.884 1.00 11.14 N ATOM 2274 CA PRO B 171 -10.131 -5.997 -12.140 1.00 73.34 C ATOM 2275 C PRO B 171 -11.585 -5.805 -12.653 1.00 31.31 C ATOM 2276 O PRO B 171 -11.905 -6.213 -13.776 1.00 5.12 O ATOM 2277 CB PRO B 171 -9.855 -7.469 -11.749 1.00 51.53 C ATOM 2278 CG PRO B 171 -10.067 -7.508 -10.276 1.00 54.10 C ATOM 2279 CD PRO B 171 -9.579 -6.183 -9.744 1.00 21.12 C ATOM 0 HA PRO B 171 -9.532 -5.636 -12.976 1.00 73.34 H new ATOM 0 HB2 PRO B 171 -10.531 -8.151 -12.266 1.00 51.53 H new ATOM 0 HB3 PRO B 171 -8.840 -7.766 -12.012 1.00 51.53 H new ATOM 0 HG2 PRO B 171 -11.120 -7.659 -10.038 1.00 54.10 H new ATOM 0 HG3 PRO B 171 -9.517 -8.334 -9.826 1.00 54.10 H new ATOM 0 HD2 PRO B 171 -10.129 -5.878 -8.854 1.00 21.12 H new ATOM 0 HD3 PRO B 171 -8.525 -6.222 -9.469 1.00 21.12 H new