USER MOD reduce.3.24.130724 H: found=0, std=0, add=1061, rem=0, adj=22 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 55 ASN : amide:sc= -0.132 K(o=0.62,f=0.089) USER MOD Set 1.2: A 60 TYR OH : rot 8:sc= 0.753 USER MOD Set 2.1: A 8 HIS : no HD1:sc= -0.434 K(o=-0.32,f=-1.9) USER MOD Set 2.2: A 38 TYR OH : rot 45:sc= 0.111 USER MOD Single : A 5 GLN : amide:sc= -1.85 K(o=-1.8,f=-1.1) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 4:sc= 0.409 USER MOD Single : A 42 HIS : no HE2:sc= -0.813 X(o=-0.81,f=-1.2) USER MOD Single : A 43 LYS NZ :NH3+ -152:sc= -1.6! (180deg=-3.38!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.68 K(o=-0.68,f=0) USER MOD Single : A 52 THR OG1 : rot -77:sc= 0.374 USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 HIS : no HD1:sc= -1.98 K(o=-2,f=-0.87) USER MOD Single : A 66 HIS : no HD1:sc= -0.0196 X(o=-0.02,f=-0.33) 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 105 GLN : amide:sc= -2.27 K(o=-2.3,f=-3.1!) USER MOD Single : B 108 HIS : no HE2:sc= 0.0109 X(o=0.011,f=-0.16) USER MOD Single : B 116 LYS NZ :NH3+ -169:sc= -0.0137 (180deg=-0.179) USER MOD Single : B 127 SER OG : rot 180:sc= 0 USER MOD Single : B 128 LYS NZ :NH3+ 176:sc=-0.00185 (180deg=-0.0416) USER MOD Single : B 135 TYR OH : rot 180:sc= 0 USER MOD Single : B 137 SER OG : rot 15:sc= 0.657 USER MOD Single : B 138 TYR OH : rot 180:sc= 0 USER MOD Single : B 142 HIS : no HE2:sc= -0.343 K(o=-0.34,f=-2.7!) USER MOD Single : B 143 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0181) USER MOD Single : B 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 148 LYS NZ :NH3+ 154:sc= 1.24 (180deg=1.02) USER MOD Single : B 150 GLN : amide:sc= -0.985 K(o=-0.98,f=-0.054) USER MOD Single : B 152 THR OG1 : rot -73:sc= 0.953 USER MOD Single : B 155 ASN : amide:sc= -3.35! K(o=-3.4!,f=-1.1) USER MOD Single : B 157 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 160 TYR OH : rot 116:sc= 0.505 USER MOD Single : B 164 HIS : no HE2:sc= -1.39 K(o=-1.4,f=-4.3!) USER MOD Single : B 166 HIS : no HD1:sc= -0.0451 X(o=-0.045,f=-0.48) USER MOD Single : B 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 68 N GLN A 5 8.433 -12.986 -5.907 1.00 74.35 N ATOM 69 CA GLN A 5 8.138 -12.247 -4.668 1.00 53.10 C ATOM 70 C GLN A 5 7.667 -10.818 -4.967 1.00 45.52 C ATOM 71 O GLN A 5 7.230 -10.111 -4.065 1.00 42.13 O ATOM 72 CB GLN A 5 9.388 -12.235 -3.745 1.00 21.13 C ATOM 73 CG GLN A 5 10.698 -11.710 -4.378 1.00 32.24 C ATOM 74 CD GLN A 5 10.755 -10.194 -4.643 1.00 12.23 C ATOM 75 OE1 GLN A 5 11.373 -9.752 -5.609 1.00 52.11 O ATOM 76 NE2 GLN A 5 10.155 -9.380 -3.781 1.00 50.51 N ATOM 0 HA GLN A 5 7.324 -12.757 -4.152 1.00 53.10 H new ATOM 0 HB2 GLN A 5 9.162 -11.626 -2.870 1.00 21.13 H new ATOM 0 HB3 GLN A 5 9.562 -13.251 -3.390 1.00 21.13 H new ATOM 0 HG2 GLN A 5 11.528 -11.977 -3.723 1.00 32.24 H new ATOM 0 HG3 GLN A 5 10.857 -12.231 -5.322 1.00 32.24 H new ATOM 0 HE21 GLN A 5 9.647 -9.765 -2.985 1.00 50.51 H new ATOM 0 HE22 GLN A 5 10.203 -8.370 -3.915 1.00 50.51 H new ATOM 85 N LEU A 6 7.839 -10.364 -6.217 1.00 71.33 N ATOM 86 CA LEU A 6 7.481 -8.990 -6.617 1.00 50.04 C ATOM 87 C LEU A 6 6.172 -9.010 -7.424 1.00 74.45 C ATOM 88 O LEU A 6 6.090 -9.660 -8.477 1.00 44.21 O ATOM 89 CB LEU A 6 8.640 -8.350 -7.418 1.00 12.25 C ATOM 90 CG LEU A 6 8.438 -6.853 -7.815 1.00 73.33 C ATOM 91 CD1 LEU A 6 8.366 -5.934 -6.572 1.00 52.45 C ATOM 92 CD2 LEU A 6 9.524 -6.392 -8.805 1.00 12.32 C ATOM 0 H LEU A 6 8.225 -10.929 -6.973 1.00 71.33 H new ATOM 0 HA LEU A 6 7.319 -8.379 -5.729 1.00 50.04 H new ATOM 0 HB2 LEU A 6 9.554 -8.431 -6.829 1.00 12.25 H new ATOM 0 HB3 LEU A 6 8.794 -8.931 -8.327 1.00 12.25 H new ATOM 0 HG LEU A 6 7.476 -6.773 -8.321 1.00 73.33 H new ATOM 0 HD11 LEU A 6 8.225 -4.901 -6.891 1.00 52.45 H new ATOM 0 HD12 LEU A 6 7.529 -6.237 -5.943 1.00 52.45 H new ATOM 0 HD13 LEU A 6 9.293 -6.015 -6.005 1.00 52.45 H new ATOM 0 HD21 LEU A 6 9.359 -5.346 -9.065 1.00 12.32 H new ATOM 0 HD22 LEU A 6 10.506 -6.501 -8.345 1.00 12.32 H new ATOM 0 HD23 LEU A 6 9.476 -7.002 -9.707 1.00 12.32 H new ATOM 104 N LEU A 7 5.151 -8.303 -6.899 1.00 43.31 N ATOM 105 CA LEU A 7 3.778 -8.345 -7.419 1.00 34.31 C ATOM 106 C LEU A 7 2.941 -7.173 -6.878 1.00 30.20 C ATOM 107 O LEU A 7 3.412 -6.382 -6.053 1.00 73.04 O ATOM 108 CB LEU A 7 3.091 -9.744 -7.150 1.00 65.02 C ATOM 109 CG LEU A 7 2.887 -10.281 -5.668 1.00 71.22 C ATOM 110 CD1 LEU A 7 4.171 -10.254 -4.829 1.00 71.21 C ATOM 111 CD2 LEU A 7 1.723 -9.593 -4.923 1.00 12.34 C ATOM 0 H LEU A 7 5.262 -7.684 -6.096 1.00 43.31 H new ATOM 0 HA LEU A 7 3.832 -8.229 -8.501 1.00 34.31 H new ATOM 0 HB2 LEU A 7 2.107 -9.712 -7.617 1.00 65.02 H new ATOM 0 HB3 LEU A 7 3.673 -10.494 -7.685 1.00 65.02 H new ATOM 0 HG LEU A 7 2.611 -11.328 -5.795 1.00 71.22 H new ATOM 0 HD11 LEU A 7 3.960 -10.634 -3.829 1.00 71.21 H new ATOM 0 HD12 LEU A 7 4.928 -10.879 -5.302 1.00 71.21 H new ATOM 0 HD13 LEU A 7 4.538 -9.230 -4.759 1.00 71.21 H new ATOM 0 HD21 LEU A 7 1.639 -10.007 -3.918 1.00 12.34 H new ATOM 0 HD22 LEU A 7 1.914 -8.522 -4.860 1.00 12.34 H new ATOM 0 HD23 LEU A 7 0.793 -9.764 -5.464 1.00 12.34 H new ATOM 123 N HIS A 8 1.687 -7.103 -7.356 1.00 23.11 N ATOM 124 CA HIS A 8 0.718 -6.054 -6.992 1.00 32.33 C ATOM 125 C HIS A 8 0.177 -6.286 -5.574 1.00 41.21 C ATOM 126 O HIS A 8 -0.479 -7.298 -5.326 1.00 41.33 O ATOM 127 CB HIS A 8 -0.452 -6.050 -8.007 1.00 12.41 C ATOM 128 CG HIS A 8 -0.049 -5.697 -9.417 1.00 41.35 C ATOM 129 ND1 HIS A 8 -0.928 -5.735 -10.480 1.00 32.32 N ATOM 130 CD2 HIS A 8 1.140 -5.314 -9.939 1.00 72.05 C ATOM 131 CE1 HIS A 8 -0.296 -5.400 -11.584 1.00 14.23 C ATOM 132 NE2 HIS A 8 0.954 -5.137 -11.280 1.00 51.50 N ATOM 0 H HIS A 8 1.312 -7.784 -8.016 1.00 23.11 H new ATOM 0 HA HIS A 8 1.223 -5.088 -7.016 1.00 32.33 H new ATOM 0 HB2 HIS A 8 -0.918 -7.035 -8.011 1.00 12.41 H new ATOM 0 HB3 HIS A 8 -1.208 -5.341 -7.669 1.00 12.41 H new ATOM 0 HD2 HIS A 8 2.063 -5.175 -9.396 1.00 72.05 H new ATOM 0 HE1 HIS A 8 -0.731 -5.350 -12.571 1.00 14.23 H new ATOM 0 HE2 HIS A 8 1.673 -4.846 -11.942 1.00 51.50 H new ATOM 141 N ILE A 9 0.435 -5.337 -4.664 1.00 71.24 N ATOM 142 CA ILE A 9 0.056 -5.461 -3.236 1.00 15.01 C ATOM 143 C ILE A 9 -1.447 -5.214 -3.049 1.00 3.34 C ATOM 144 O ILE A 9 -2.088 -4.622 -3.907 1.00 63.22 O ATOM 145 CB ILE A 9 0.861 -4.450 -2.344 1.00 75.12 C ATOM 146 CG1 ILE A 9 0.452 -2.972 -2.681 1.00 21.24 C ATOM 147 CG2 ILE A 9 2.376 -4.678 -2.517 1.00 12.04 C ATOM 148 CD1 ILE A 9 1.257 -1.885 -1.994 1.00 64.12 C ATOM 0 H ILE A 9 0.910 -4.463 -4.888 1.00 71.24 H new ATOM 0 HA ILE A 9 0.297 -6.477 -2.924 1.00 15.01 H new ATOM 0 HB ILE A 9 0.616 -4.625 -1.296 1.00 75.12 H new ATOM 0 HG12 ILE A 9 0.533 -2.830 -3.759 1.00 21.24 H new ATOM 0 HG13 ILE A 9 -0.598 -2.838 -2.420 1.00 21.24 H new ATOM 0 HG21 ILE A 9 2.924 -3.971 -1.894 1.00 12.04 H new ATOM 0 HG22 ILE A 9 2.627 -5.696 -2.218 1.00 12.04 H new ATOM 0 HG23 ILE A 9 2.650 -4.528 -3.561 1.00 12.04 H new ATOM 0 HD11 ILE A 9 0.886 -0.908 -2.302 1.00 64.12 H new ATOM 0 HD12 ILE A 9 1.158 -1.987 -0.913 1.00 64.12 H new ATOM 0 HD13 ILE A 9 2.307 -1.979 -2.272 1.00 64.12 H new ATOM 160 N VAL A 10 -1.979 -5.632 -1.903 1.00 74.03 N ATOM 161 CA VAL A 10 -3.412 -5.501 -1.566 1.00 25.25 C ATOM 162 C VAL A 10 -3.617 -4.501 -0.418 1.00 42.33 C ATOM 163 O VAL A 10 -2.907 -4.532 0.596 1.00 32.33 O ATOM 164 CB VAL A 10 -4.045 -6.902 -1.194 1.00 33.33 C ATOM 165 CG1 VAL A 10 -4.478 -7.667 -2.460 1.00 25.05 C ATOM 166 CG2 VAL A 10 -3.051 -7.745 -0.352 1.00 65.02 C ATOM 0 H VAL A 10 -1.429 -6.077 -1.168 1.00 74.03 H new ATOM 0 HA VAL A 10 -3.923 -5.122 -2.451 1.00 25.25 H new ATOM 0 HB VAL A 10 -4.935 -6.722 -0.592 1.00 33.33 H new ATOM 0 HG11 VAL A 10 -4.910 -8.627 -2.175 1.00 25.05 H new ATOM 0 HG12 VAL A 10 -5.220 -7.082 -3.003 1.00 25.05 H new ATOM 0 HG13 VAL A 10 -3.611 -7.835 -3.098 1.00 25.05 H new ATOM 0 HG21 VAL A 10 -3.505 -8.705 -0.106 1.00 65.02 H new ATOM 0 HG22 VAL A 10 -2.139 -7.911 -0.925 1.00 65.02 H new ATOM 0 HG23 VAL A 10 -2.810 -7.212 0.568 1.00 65.02 H new ATOM 176 N VAL A 11 -4.595 -3.603 -0.616 1.00 23.03 N ATOM 177 CA VAL A 11 -5.031 -2.610 0.388 1.00 33.42 C ATOM 178 C VAL A 11 -6.564 -2.676 0.548 1.00 4.53 C ATOM 179 O VAL A 11 -7.265 -3.236 -0.299 1.00 73.51 O ATOM 180 CB VAL A 11 -4.601 -1.138 0.008 1.00 45.33 C ATOM 181 CG1 VAL A 11 -3.062 -1.007 -0.132 1.00 12.43 C ATOM 182 CG2 VAL A 11 -5.334 -0.648 -1.271 1.00 73.44 C ATOM 0 H VAL A 11 -5.116 -3.543 -1.491 1.00 23.03 H new ATOM 0 HA VAL A 11 -4.540 -2.860 1.328 1.00 33.42 H new ATOM 0 HB VAL A 11 -4.904 -0.489 0.830 1.00 45.33 H new ATOM 0 HG11 VAL A 11 -2.807 0.020 -0.394 1.00 12.43 H new ATOM 0 HG12 VAL A 11 -2.587 -1.269 0.813 1.00 12.43 H new ATOM 0 HG13 VAL A 11 -2.709 -1.679 -0.914 1.00 12.43 H new ATOM 0 HG21 VAL A 11 -5.016 0.368 -1.506 1.00 73.44 H new ATOM 0 HG22 VAL A 11 -5.090 -1.306 -2.105 1.00 73.44 H new ATOM 0 HG23 VAL A 11 -6.411 -0.661 -1.101 1.00 73.44 H new ATOM 192 N GLY A 12 -7.071 -2.104 1.641 1.00 35.31 N ATOM 193 CA GLY A 12 -8.503 -2.050 1.896 1.00 31.31 C ATOM 194 C GLY A 12 -8.848 -0.961 2.866 1.00 63.33 C ATOM 195 O GLY A 12 -8.610 -1.097 4.068 1.00 61.32 O ATOM 0 H GLY A 12 -6.502 -1.669 2.367 1.00 35.31 H new ATOM 0 HA2 GLY A 12 -9.034 -1.885 0.959 1.00 31.31 H new ATOM 0 HA3 GLY A 12 -8.840 -3.009 2.289 1.00 31.31 H new ATOM 199 N GLY A 13 -9.437 0.119 2.352 1.00 74.01 N ATOM 200 CA GLY A 13 -9.663 1.320 3.140 1.00 12.14 C ATOM 201 C GLY A 13 -11.078 1.808 3.062 1.00 34.35 C ATOM 202 O GLY A 13 -11.743 1.605 2.041 1.00 51.14 O ATOM 0 H GLY A 13 -9.766 0.182 1.388 1.00 74.01 H new ATOM 0 HA2 GLY A 13 -9.410 1.119 4.181 1.00 12.14 H new ATOM 0 HA3 GLY A 13 -8.992 2.107 2.795 1.00 12.14 H new ATOM 206 N GLU A 14 -11.530 2.461 4.144 1.00 22.21 N ATOM 207 CA GLU A 14 -12.881 3.022 4.239 1.00 0.23 C ATOM 208 C GLU A 14 -12.982 4.216 3.302 1.00 10.15 C ATOM 209 O GLU A 14 -12.308 5.232 3.493 1.00 43.25 O ATOM 210 CB GLU A 14 -13.219 3.424 5.698 1.00 71.05 C ATOM 211 CG GLU A 14 -13.404 2.218 6.633 1.00 71.10 C ATOM 212 CD GLU A 14 -13.555 2.611 8.110 1.00 74.41 C ATOM 213 OE1 GLU A 14 -14.684 2.932 8.532 1.00 21.00 O ATOM 214 OE2 GLU A 14 -12.546 2.626 8.847 1.00 53.54 O ATOM 0 H GLU A 14 -10.964 2.614 4.979 1.00 22.21 H new ATOM 0 HA GLU A 14 -13.609 2.267 3.942 1.00 0.23 H new ATOM 0 HB2 GLU A 14 -12.422 4.058 6.087 1.00 71.05 H new ATOM 0 HB3 GLU A 14 -14.131 4.021 5.701 1.00 71.05 H new ATOM 0 HG2 GLU A 14 -14.286 1.658 6.322 1.00 71.10 H new ATOM 0 HG3 GLU A 14 -12.548 1.551 6.527 1.00 71.10 H new ATOM 221 N LEU A 15 -13.757 4.027 2.248 1.00 53.35 N ATOM 222 CA LEU A 15 -14.024 5.053 1.243 1.00 2.12 C ATOM 223 C LEU A 15 -15.262 5.863 1.658 1.00 61.14 C ATOM 224 O LEU A 15 -16.015 5.452 2.555 1.00 13.11 O ATOM 225 CB LEU A 15 -14.210 4.371 -0.140 1.00 0.14 C ATOM 226 CG LEU A 15 -13.081 3.370 -0.556 1.00 43.42 C ATOM 227 CD1 LEU A 15 -13.276 2.830 -1.978 1.00 41.32 C ATOM 228 CD2 LEU A 15 -11.687 3.993 -0.400 1.00 73.21 C ATOM 0 H LEU A 15 -14.229 3.142 2.059 1.00 53.35 H new ATOM 0 HA LEU A 15 -13.186 5.746 1.167 1.00 2.12 H new ATOM 0 HB2 LEU A 15 -15.161 3.838 -0.138 1.00 0.14 H new ATOM 0 HB3 LEU A 15 -14.282 5.147 -0.902 1.00 0.14 H new ATOM 0 HG LEU A 15 -13.154 2.524 0.127 1.00 43.42 H new ATOM 0 HD11 LEU A 15 -12.467 2.140 -2.219 1.00 41.32 H new ATOM 0 HD12 LEU A 15 -14.230 2.307 -2.041 1.00 41.32 H new ATOM 0 HD13 LEU A 15 -13.269 3.659 -2.686 1.00 41.32 H new ATOM 0 HD21 LEU A 15 -10.929 3.268 -0.698 1.00 73.21 H new ATOM 0 HD22 LEU A 15 -11.611 4.878 -1.032 1.00 73.21 H new ATOM 0 HD23 LEU A 15 -11.529 4.276 0.641 1.00 73.21 H new ATOM 240 N LYS A 16 -15.452 7.031 1.033 1.00 21.01 N ATOM 241 CA LYS A 16 -16.647 7.858 1.252 1.00 3.24 C ATOM 242 C LYS A 16 -17.827 7.234 0.480 1.00 42.41 C ATOM 243 O LYS A 16 -18.943 7.130 0.999 1.00 63.31 O ATOM 244 CB LYS A 16 -16.394 9.322 0.792 1.00 53.32 C ATOM 245 CG LYS A 16 -15.266 10.059 1.553 1.00 41.13 C ATOM 246 CD LYS A 16 -15.061 11.505 1.040 1.00 24.02 C ATOM 247 CE LYS A 16 -13.896 12.228 1.741 1.00 4.14 C ATOM 248 NZ LYS A 16 -14.145 12.455 3.192 1.00 64.03 N ATOM 0 H LYS A 16 -14.789 7.428 0.367 1.00 21.01 H new ATOM 0 HA LYS A 16 -16.884 7.887 2.316 1.00 3.24 H new ATOM 0 HB2 LYS A 16 -16.152 9.317 -0.271 1.00 53.32 H new ATOM 0 HB3 LYS A 16 -17.319 9.888 0.905 1.00 53.32 H new ATOM 0 HG2 LYS A 16 -15.503 10.083 2.617 1.00 41.13 H new ATOM 0 HG3 LYS A 16 -14.335 9.502 1.447 1.00 41.13 H new ATOM 0 HD2 LYS A 16 -14.874 11.482 -0.034 1.00 24.02 H new ATOM 0 HD3 LYS A 16 -15.979 12.073 1.192 1.00 24.02 H new ATOM 0 HE2 LYS A 16 -12.986 11.641 1.621 1.00 4.14 H new ATOM 0 HE3 LYS A 16 -13.723 13.187 1.253 1.00 4.14 H new ATOM 0 HZ1 LYS A 16 -13.329 12.944 3.612 1.00 64.03 H new ATOM 0 HZ2 LYS A 16 -14.998 13.039 3.311 1.00 64.03 H new ATOM 0 HZ3 LYS A 16 -14.283 11.541 3.668 1.00 64.03 H new ATOM 262 N ASP A 17 -17.541 6.800 -0.759 1.00 24.34 N ATOM 263 CA ASP A 17 -18.512 6.113 -1.636 1.00 34.51 C ATOM 264 C ASP A 17 -18.015 4.689 -1.934 1.00 62.05 C ATOM 265 O ASP A 17 -16.810 4.453 -1.973 1.00 44.01 O ATOM 266 CB ASP A 17 -18.701 6.907 -2.958 1.00 15.41 C ATOM 267 CG ASP A 17 -19.708 6.256 -3.927 1.00 32.31 C ATOM 268 OD1 ASP A 17 -20.916 6.203 -3.594 1.00 75.41 O ATOM 269 OD2 ASP A 17 -19.305 5.778 -5.006 1.00 62.44 O ATOM 0 H ASP A 17 -16.622 6.916 -1.186 1.00 24.34 H new ATOM 0 HA ASP A 17 -19.476 6.057 -1.130 1.00 34.51 H new ATOM 0 HB2 ASP A 17 -19.037 7.917 -2.721 1.00 15.41 H new ATOM 0 HB3 ASP A 17 -17.737 7.001 -3.457 1.00 15.41 H new ATOM 274 N VAL A 18 -18.953 3.756 -2.160 1.00 24.23 N ATOM 275 CA VAL A 18 -18.640 2.342 -2.444 1.00 42.05 C ATOM 276 C VAL A 18 -17.831 2.175 -3.752 1.00 4.03 C ATOM 277 O VAL A 18 -16.884 1.390 -3.810 1.00 71.42 O ATOM 278 CB VAL A 18 -19.948 1.463 -2.499 1.00 14.35 C ATOM 279 CG1 VAL A 18 -20.613 1.379 -1.105 1.00 54.00 C ATOM 280 CG2 VAL A 18 -20.954 1.978 -3.564 1.00 11.31 C ATOM 0 H VAL A 18 -19.953 3.959 -2.151 1.00 24.23 H new ATOM 0 HA VAL A 18 -18.019 1.991 -1.620 1.00 42.05 H new ATOM 0 HB VAL A 18 -19.649 0.459 -2.800 1.00 14.35 H new ATOM 0 HG11 VAL A 18 -21.513 0.768 -1.168 1.00 54.00 H new ATOM 0 HG12 VAL A 18 -19.917 0.929 -0.397 1.00 54.00 H new ATOM 0 HG13 VAL A 18 -20.878 2.381 -0.767 1.00 54.00 H new ATOM 0 HG21 VAL A 18 -21.839 1.342 -3.566 1.00 11.31 H new ATOM 0 HG22 VAL A 18 -21.243 3.002 -3.326 1.00 11.31 H new ATOM 0 HG23 VAL A 18 -20.487 1.952 -4.548 1.00 11.31 H new ATOM 290 N ALA A 19 -18.216 2.930 -4.784 1.00 35.20 N ATOM 291 CA ALA A 19 -17.552 2.909 -6.101 1.00 42.11 C ATOM 292 C ALA A 19 -16.654 4.154 -6.275 1.00 44.32 C ATOM 293 O ALA A 19 -16.321 4.539 -7.401 1.00 41.41 O ATOM 294 CB ALA A 19 -18.619 2.835 -7.211 1.00 2.32 C ATOM 0 H ALA A 19 -19.001 3.579 -4.735 1.00 35.20 H new ATOM 0 HA ALA A 19 -16.912 2.029 -6.170 1.00 42.11 H new ATOM 0 HB1 ALA A 19 -18.130 2.819 -8.185 1.00 2.32 H new ATOM 0 HB2 ALA A 19 -19.210 1.928 -7.087 1.00 2.32 H new ATOM 0 HB3 ALA A 19 -19.272 3.705 -7.147 1.00 2.32 H new ATOM 300 N GLY A 20 -16.272 4.782 -5.148 1.00 34.44 N ATOM 301 CA GLY A 20 -15.441 5.985 -5.155 1.00 42.24 C ATOM 302 C GLY A 20 -14.201 5.815 -4.297 1.00 44.21 C ATOM 303 O GLY A 20 -14.319 5.608 -3.097 1.00 31.10 O ATOM 0 H GLY A 20 -16.533 4.466 -4.214 1.00 34.44 H new ATOM 0 HA2 GLY A 20 -15.146 6.218 -6.178 1.00 42.24 H new ATOM 0 HA3 GLY A 20 -16.023 6.831 -4.790 1.00 42.24 H new ATOM 307 N VAL A 21 -13.012 5.993 -4.913 1.00 53.05 N ATOM 308 CA VAL A 21 -11.684 5.778 -4.275 1.00 65.11 C ATOM 309 C VAL A 21 -11.299 6.940 -3.301 1.00 62.13 C ATOM 310 O VAL A 21 -10.154 7.071 -2.859 1.00 61.55 O ATOM 311 CB VAL A 21 -10.582 5.569 -5.402 1.00 35.23 C ATOM 312 CG1 VAL A 21 -9.222 5.100 -4.827 1.00 3.25 C ATOM 313 CG2 VAL A 21 -11.081 4.577 -6.494 1.00 61.14 C ATOM 0 H VAL A 21 -12.941 6.295 -5.885 1.00 53.05 H new ATOM 0 HA VAL A 21 -11.740 4.878 -3.662 1.00 65.11 H new ATOM 0 HB VAL A 21 -10.418 6.545 -5.859 1.00 35.23 H new ATOM 0 HG11 VAL A 21 -8.507 4.973 -5.640 1.00 3.25 H new ATOM 0 HG12 VAL A 21 -8.846 5.846 -4.127 1.00 3.25 H new ATOM 0 HG13 VAL A 21 -9.354 4.150 -4.309 1.00 3.25 H new ATOM 0 HG21 VAL A 21 -10.308 4.452 -7.253 1.00 61.14 H new ATOM 0 HG22 VAL A 21 -11.300 3.612 -6.036 1.00 61.14 H new ATOM 0 HG23 VAL A 21 -11.985 4.972 -6.958 1.00 61.14 H new ATOM 323 N GLU A 22 -12.291 7.754 -2.933 1.00 60.21 N ATOM 324 CA GLU A 22 -12.143 8.810 -1.929 1.00 65.12 C ATOM 325 C GLU A 22 -11.900 8.181 -0.541 1.00 40.21 C ATOM 326 O GLU A 22 -12.858 7.843 0.159 1.00 32.25 O ATOM 327 CB GLU A 22 -13.420 9.705 -1.877 1.00 73.32 C ATOM 328 CG GLU A 22 -13.640 10.672 -3.064 1.00 12.04 C ATOM 329 CD GLU A 22 -13.778 10.001 -4.443 1.00 72.23 C ATOM 330 OE1 GLU A 22 -14.620 9.102 -4.588 1.00 61.44 O ATOM 331 OE2 GLU A 22 -13.061 10.384 -5.393 1.00 45.04 O ATOM 0 H GLU A 22 -13.230 7.698 -3.328 1.00 60.21 H new ATOM 0 HA GLU A 22 -11.291 9.431 -2.206 1.00 65.12 H new ATOM 0 HB2 GLU A 22 -14.290 9.052 -1.804 1.00 73.32 H new ATOM 0 HB3 GLU A 22 -13.386 10.294 -0.960 1.00 73.32 H new ATOM 0 HG2 GLU A 22 -14.539 11.258 -2.872 1.00 12.04 H new ATOM 0 HG3 GLU A 22 -12.805 11.372 -3.101 1.00 12.04 H new ATOM 338 N PHE A 23 -10.614 7.992 -0.171 1.00 64.15 N ATOM 339 CA PHE A 23 -10.234 7.493 1.169 1.00 44.13 C ATOM 340 C PHE A 23 -10.789 8.453 2.241 1.00 44.22 C ATOM 341 O PHE A 23 -10.292 9.579 2.391 1.00 63.34 O ATOM 342 CB PHE A 23 -8.685 7.359 1.340 1.00 72.52 C ATOM 343 CG PHE A 23 -7.952 6.354 0.428 1.00 74.14 C ATOM 344 CD1 PHE A 23 -8.624 5.492 -0.452 1.00 21.14 C ATOM 345 CD2 PHE A 23 -6.554 6.273 0.469 1.00 12.21 C ATOM 346 CE1 PHE A 23 -7.925 4.598 -1.249 1.00 72.44 C ATOM 347 CE2 PHE A 23 -5.860 5.376 -0.331 1.00 31.12 C ATOM 348 CZ PHE A 23 -6.546 4.542 -1.187 1.00 4.23 C ATOM 0 H PHE A 23 -9.820 8.178 -0.784 1.00 64.15 H new ATOM 0 HA PHE A 23 -10.660 6.496 1.285 1.00 44.13 H new ATOM 0 HB2 PHE A 23 -8.243 8.342 1.181 1.00 72.52 H new ATOM 0 HB3 PHE A 23 -8.484 7.083 2.375 1.00 72.52 H new ATOM 0 HD1 PHE A 23 -9.702 5.525 -0.509 1.00 21.14 H new ATOM 0 HD2 PHE A 23 -6.006 6.921 1.136 1.00 12.21 H new ATOM 0 HE1 PHE A 23 -8.461 3.943 -1.921 1.00 72.44 H new ATOM 0 HE2 PHE A 23 -4.782 5.332 -0.283 1.00 31.12 H new ATOM 0 HZ PHE A 23 -6.005 3.844 -1.810 1.00 4.23 H new ATOM 358 N ARG A 24 -11.860 7.998 2.928 1.00 32.34 N ATOM 359 CA ARG A 24 -12.558 8.759 3.989 1.00 52.31 C ATOM 360 C ARG A 24 -11.562 9.290 5.031 1.00 1.12 C ATOM 361 O ARG A 24 -11.675 10.430 5.481 1.00 52.42 O ATOM 362 CB ARG A 24 -13.622 7.866 4.683 1.00 65.52 C ATOM 363 CG ARG A 24 -14.450 8.563 5.784 1.00 21.53 C ATOM 364 CD ARG A 24 -15.383 7.595 6.531 1.00 52.22 C ATOM 365 NE ARG A 24 -14.642 6.617 7.360 1.00 42.23 N ATOM 366 CZ ARG A 24 -14.653 6.578 8.708 1.00 54.25 C ATOM 367 NH1 ARG A 24 -15.352 7.479 9.408 1.00 41.32 N ATOM 368 NH2 ARG A 24 -13.954 5.650 9.350 1.00 13.30 N ATOM 0 H ARG A 24 -12.270 7.079 2.759 1.00 32.34 H new ATOM 0 HA ARG A 24 -13.055 9.609 3.522 1.00 52.31 H new ATOM 0 HB2 ARG A 24 -14.305 7.486 3.923 1.00 65.52 H new ATOM 0 HB3 ARG A 24 -13.119 7.003 5.120 1.00 65.52 H new ATOM 0 HG2 ARG A 24 -13.774 9.033 6.498 1.00 21.53 H new ATOM 0 HG3 ARG A 24 -15.044 9.360 5.336 1.00 21.53 H new ATOM 0 HD2 ARG A 24 -16.060 8.166 7.167 1.00 52.22 H new ATOM 0 HD3 ARG A 24 -16.000 7.060 5.809 1.00 52.22 H new ATOM 0 HE ARG A 24 -14.080 5.919 6.874 1.00 42.23 H new ATOM 0 HH11 ARG A 24 -15.882 8.203 8.922 1.00 41.32 H new ATOM 0 HH12 ARG A 24 -15.355 7.442 10.427 1.00 41.32 H new ATOM 0 HH21 ARG A 24 -13.409 4.967 8.824 1.00 13.30 H new ATOM 0 HH22 ARG A 24 -13.962 5.620 10.370 1.00 13.30 H new ATOM 382 N ASP A 25 -10.586 8.440 5.373 1.00 65.11 N ATOM 383 CA ASP A 25 -9.495 8.777 6.282 1.00 33.22 C ATOM 384 C ASP A 25 -8.255 7.986 5.847 1.00 12.23 C ATOM 385 O ASP A 25 -8.332 6.775 5.597 1.00 65.24 O ATOM 386 CB ASP A 25 -9.878 8.452 7.742 1.00 10.41 C ATOM 387 CG ASP A 25 -8.806 8.885 8.760 1.00 73.25 C ATOM 388 OD1 ASP A 25 -8.808 10.064 9.174 1.00 42.33 O ATOM 389 OD2 ASP A 25 -7.959 8.055 9.142 1.00 31.14 O ATOM 0 H ASP A 25 -10.536 7.485 5.018 1.00 65.11 H new ATOM 0 HA ASP A 25 -9.286 9.846 6.238 1.00 33.22 H new ATOM 0 HB2 ASP A 25 -10.819 8.946 7.983 1.00 10.41 H new ATOM 0 HB3 ASP A 25 -10.048 7.379 7.836 1.00 10.41 H new ATOM 394 N LEU A 26 -7.128 8.692 5.754 1.00 34.41 N ATOM 395 CA LEU A 26 -5.858 8.176 5.235 1.00 32.45 C ATOM 396 C LEU A 26 -5.139 7.227 6.226 1.00 23.51 C ATOM 397 O LEU A 26 -4.183 6.551 5.851 1.00 22.13 O ATOM 398 CB LEU A 26 -4.959 9.387 4.855 1.00 34.15 C ATOM 399 CG LEU A 26 -5.410 10.234 3.613 1.00 54.24 C ATOM 400 CD1 LEU A 26 -5.440 9.383 2.327 1.00 22.20 C ATOM 401 CD2 LEU A 26 -6.744 10.986 3.841 1.00 40.15 C ATOM 0 H LEU A 26 -7.070 9.668 6.046 1.00 34.41 H new ATOM 0 HA LEU A 26 -6.064 7.567 4.355 1.00 32.45 H new ATOM 0 HB2 LEU A 26 -4.900 10.051 5.717 1.00 34.15 H new ATOM 0 HB3 LEU A 26 -3.951 9.017 4.668 1.00 34.15 H new ATOM 0 HG LEU A 26 -4.653 11.007 3.479 1.00 54.24 H new ATOM 0 HD11 LEU A 26 -5.757 10.003 1.488 1.00 22.20 H new ATOM 0 HD12 LEU A 26 -4.444 8.987 2.130 1.00 22.20 H new ATOM 0 HD13 LEU A 26 -6.141 8.558 2.453 1.00 22.20 H new ATOM 0 HD21 LEU A 26 -7.000 11.552 2.946 1.00 40.15 H new ATOM 0 HD22 LEU A 26 -7.535 10.267 4.054 1.00 40.15 H new ATOM 0 HD23 LEU A 26 -6.637 11.669 4.684 1.00 40.15 H new ATOM 413 N SER A 27 -5.584 7.183 7.484 1.00 63.42 N ATOM 414 CA SER A 27 -5.074 6.212 8.478 1.00 11.23 C ATOM 415 C SER A 27 -6.047 5.022 8.625 1.00 22.00 C ATOM 416 O SER A 27 -5.680 3.991 9.195 1.00 43.11 O ATOM 417 CB SER A 27 -4.848 6.906 9.839 1.00 51.20 C ATOM 418 OG SER A 27 -3.898 7.956 9.726 1.00 65.23 O ATOM 0 H SER A 27 -6.301 7.810 7.848 1.00 63.42 H new ATOM 0 HA SER A 27 -4.118 5.826 8.126 1.00 11.23 H new ATOM 0 HB2 SER A 27 -5.793 7.304 10.209 1.00 51.20 H new ATOM 0 HB3 SER A 27 -4.502 6.175 10.570 1.00 51.20 H new ATOM 0 HG SER A 27 -3.774 8.380 10.601 1.00 65.23 H new ATOM 424 N LYS A 28 -7.295 5.175 8.104 1.00 22.22 N ATOM 425 CA LYS A 28 -8.324 4.098 8.120 1.00 50.40 C ATOM 426 C LYS A 28 -8.296 3.262 6.828 1.00 4.44 C ATOM 427 O LYS A 28 -9.245 2.517 6.539 1.00 23.12 O ATOM 428 CB LYS A 28 -9.748 4.682 8.377 1.00 21.23 C ATOM 429 CG LYS A 28 -9.933 5.312 9.775 1.00 63.35 C ATOM 430 CD LYS A 28 -9.617 4.329 10.932 1.00 3.42 C ATOM 431 CE LYS A 28 -9.705 4.990 12.322 1.00 74.02 C ATOM 432 NZ LYS A 28 -11.079 5.443 12.662 1.00 31.42 N ATOM 0 H LYS A 28 -7.614 6.039 7.665 1.00 22.22 H new ATOM 0 HA LYS A 28 -8.079 3.430 8.946 1.00 50.40 H new ATOM 0 HB2 LYS A 28 -9.961 5.437 7.620 1.00 21.23 H new ATOM 0 HB3 LYS A 28 -10.483 3.887 8.249 1.00 21.23 H new ATOM 0 HG2 LYS A 28 -9.287 6.185 9.862 1.00 63.35 H new ATOM 0 HG3 LYS A 28 -10.960 5.664 9.875 1.00 63.35 H new ATOM 0 HD2 LYS A 28 -10.312 3.490 10.889 1.00 3.42 H new ATOM 0 HD3 LYS A 28 -8.616 3.921 10.792 1.00 3.42 H new ATOM 0 HE2 LYS A 28 -9.364 4.282 13.077 1.00 74.02 H new ATOM 0 HE3 LYS A 28 -9.028 5.843 12.356 1.00 74.02 H new ATOM 0 HZ1 LYS A 28 -11.077 5.879 13.606 1.00 31.42 H new ATOM 0 HZ2 LYS A 28 -11.398 6.140 11.960 1.00 31.42 H new ATOM 0 HZ3 LYS A 28 -11.724 4.627 12.658 1.00 31.42 H new ATOM 446 N VAL A 29 -7.205 3.390 6.053 1.00 3.22 N ATOM 447 CA VAL A 29 -6.890 2.453 4.971 1.00 60.44 C ATOM 448 C VAL A 29 -6.009 1.321 5.546 1.00 61.44 C ATOM 449 O VAL A 29 -4.821 1.513 5.811 1.00 64.24 O ATOM 450 CB VAL A 29 -6.244 3.153 3.695 1.00 24.42 C ATOM 451 CG1 VAL A 29 -5.054 4.066 4.060 1.00 43.20 C ATOM 452 CG2 VAL A 29 -5.849 2.101 2.616 1.00 12.01 C ATOM 0 H VAL A 29 -6.524 4.142 6.161 1.00 3.22 H new ATOM 0 HA VAL A 29 -7.820 2.029 4.593 1.00 60.44 H new ATOM 0 HB VAL A 29 -7.010 3.801 3.268 1.00 24.42 H new ATOM 0 HG11 VAL A 29 -4.651 4.518 3.154 1.00 43.20 H new ATOM 0 HG12 VAL A 29 -5.392 4.850 4.738 1.00 43.20 H new ATOM 0 HG13 VAL A 29 -4.278 3.475 4.547 1.00 43.20 H new ATOM 0 HG21 VAL A 29 -5.411 2.608 1.757 1.00 12.01 H new ATOM 0 HG22 VAL A 29 -5.123 1.405 3.035 1.00 12.01 H new ATOM 0 HG23 VAL A 29 -6.737 1.553 2.300 1.00 12.01 H new ATOM 462 N GLU A 30 -6.644 0.162 5.821 1.00 73.04 N ATOM 463 CA GLU A 30 -5.943 -1.037 6.305 1.00 5.53 C ATOM 464 C GLU A 30 -5.196 -1.676 5.131 1.00 42.00 C ATOM 465 O GLU A 30 -5.811 -2.182 4.186 1.00 35.20 O ATOM 466 CB GLU A 30 -6.915 -2.076 6.932 1.00 1.45 C ATOM 467 CG GLU A 30 -6.188 -3.321 7.495 1.00 61.41 C ATOM 468 CD GLU A 30 -7.128 -4.445 7.942 1.00 32.22 C ATOM 469 OE1 GLU A 30 -7.635 -4.393 9.087 1.00 43.31 O ATOM 470 OE2 GLU A 30 -7.353 -5.397 7.155 1.00 34.13 O ATOM 0 H GLU A 30 -7.650 0.035 5.713 1.00 73.04 H new ATOM 0 HA GLU A 30 -5.249 -0.731 7.088 1.00 5.53 H new ATOM 0 HB2 GLU A 30 -7.481 -1.599 7.733 1.00 1.45 H new ATOM 0 HB3 GLU A 30 -7.635 -2.393 6.178 1.00 1.45 H new ATOM 0 HG2 GLU A 30 -5.512 -3.709 6.733 1.00 61.41 H new ATOM 0 HG3 GLU A 30 -5.573 -3.017 8.342 1.00 61.41 H new ATOM 477 N PHE A 31 -3.873 -1.606 5.186 1.00 51.22 N ATOM 478 CA PHE A 31 -2.999 -2.243 4.213 1.00 12.14 C ATOM 479 C PHE A 31 -2.967 -3.745 4.522 1.00 14.44 C ATOM 480 O PHE A 31 -2.360 -4.170 5.514 1.00 61.24 O ATOM 481 CB PHE A 31 -1.594 -1.620 4.293 1.00 21.33 C ATOM 482 CG PHE A 31 -1.570 -0.098 4.126 1.00 43.23 C ATOM 483 CD1 PHE A 31 -1.705 0.755 5.229 1.00 35.01 C ATOM 484 CD2 PHE A 31 -1.410 0.478 2.871 1.00 75.23 C ATOM 485 CE1 PHE A 31 -1.681 2.126 5.069 1.00 31.34 C ATOM 486 CE2 PHE A 31 -1.386 1.846 2.720 1.00 3.24 C ATOM 487 CZ PHE A 31 -1.523 2.670 3.814 1.00 33.13 C ATOM 0 H PHE A 31 -3.372 -1.100 5.916 1.00 51.22 H new ATOM 0 HA PHE A 31 -3.366 -2.093 3.198 1.00 12.14 H new ATOM 0 HB2 PHE A 31 -1.150 -1.875 5.255 1.00 21.33 H new ATOM 0 HB3 PHE A 31 -0.966 -2.068 3.523 1.00 21.33 H new ATOM 0 HD1 PHE A 31 -1.829 0.335 6.216 1.00 35.01 H new ATOM 0 HD2 PHE A 31 -1.303 -0.156 2.003 1.00 75.23 H new ATOM 0 HE1 PHE A 31 -1.786 2.772 5.928 1.00 31.34 H new ATOM 0 HE2 PHE A 31 -1.259 2.275 1.737 1.00 3.24 H new ATOM 0 HZ PHE A 31 -1.507 3.743 3.688 1.00 33.13 H new ATOM 497 N VAL A 32 -3.684 -4.517 3.692 1.00 71.04 N ATOM 498 CA VAL A 32 -3.848 -5.976 3.854 1.00 14.52 C ATOM 499 C VAL A 32 -2.482 -6.687 3.817 1.00 52.54 C ATOM 500 O VAL A 32 -2.268 -7.695 4.499 1.00 62.14 O ATOM 501 CB VAL A 32 -4.782 -6.566 2.729 1.00 52.31 C ATOM 502 CG1 VAL A 32 -5.097 -8.068 2.950 1.00 12.43 C ATOM 503 CG2 VAL A 32 -6.074 -5.738 2.600 1.00 10.31 C ATOM 0 H VAL A 32 -4.174 -4.145 2.878 1.00 71.04 H new ATOM 0 HA VAL A 32 -4.312 -6.150 4.825 1.00 14.52 H new ATOM 0 HB VAL A 32 -4.235 -6.497 1.789 1.00 52.31 H new ATOM 0 HG11 VAL A 32 -5.743 -8.426 2.149 1.00 12.43 H new ATOM 0 HG12 VAL A 32 -4.168 -8.638 2.949 1.00 12.43 H new ATOM 0 HG13 VAL A 32 -5.601 -8.197 3.908 1.00 12.43 H new ATOM 0 HG21 VAL A 32 -6.703 -6.164 1.818 1.00 10.31 H new ATOM 0 HG22 VAL A 32 -6.613 -5.754 3.547 1.00 10.31 H new ATOM 0 HG23 VAL A 32 -5.823 -4.709 2.343 1.00 10.31 H new ATOM 513 N GLY A 33 -1.577 -6.132 3.002 1.00 62.22 N ATOM 514 CA GLY A 33 -0.214 -6.626 2.867 1.00 52.41 C ATOM 515 C GLY A 33 0.114 -6.863 1.412 1.00 63.13 C ATOM 516 O GLY A 33 -0.204 -6.028 0.552 1.00 5.24 O ATOM 0 H GLY A 33 -1.778 -5.322 2.416 1.00 62.22 H new ATOM 0 HA2 GLY A 33 0.485 -5.906 3.292 1.00 52.41 H new ATOM 0 HA3 GLY A 33 -0.098 -7.553 3.429 1.00 52.41 H new ATOM 520 N ALA A 34 0.771 -7.979 1.146 1.00 64.33 N ATOM 521 CA ALA A 34 0.964 -8.522 -0.196 1.00 21.44 C ATOM 522 C ALA A 34 0.989 -10.052 -0.079 1.00 24.54 C ATOM 523 O ALA A 34 1.029 -10.597 1.031 1.00 33.51 O ATOM 524 CB ALA A 34 2.252 -7.975 -0.832 1.00 50.50 C ATOM 0 H ALA A 34 1.198 -8.551 1.875 1.00 64.33 H new ATOM 0 HA ALA A 34 0.149 -8.218 -0.852 1.00 21.44 H new ATOM 0 HB1 ALA A 34 2.372 -8.395 -1.831 1.00 50.50 H new ATOM 0 HB2 ALA A 34 2.191 -6.889 -0.900 1.00 50.50 H new ATOM 0 HB3 ALA A 34 3.108 -8.253 -0.217 1.00 50.50 H new ATOM 530 N TYR A 35 0.955 -10.742 -1.215 1.00 74.20 N ATOM 531 CA TYR A 35 0.947 -12.225 -1.261 1.00 63.51 C ATOM 532 C TYR A 35 2.150 -12.738 -2.058 1.00 31.14 C ATOM 533 O TYR A 35 2.609 -12.040 -2.937 1.00 11.15 O ATOM 534 CB TYR A 35 -0.407 -12.717 -1.853 1.00 73.34 C ATOM 535 CG TYR A 35 -1.548 -12.633 -0.829 1.00 52.13 C ATOM 536 CD1 TYR A 35 -2.212 -11.431 -0.572 1.00 34.23 C ATOM 537 CD2 TYR A 35 -1.915 -13.749 -0.072 1.00 42.42 C ATOM 538 CE1 TYR A 35 -3.199 -11.347 0.390 1.00 61.31 C ATOM 539 CE2 TYR A 35 -2.897 -13.666 0.894 1.00 63.21 C ATOM 540 CZ TYR A 35 -3.537 -12.464 1.122 1.00 63.25 C ATOM 541 OH TYR A 35 -4.513 -12.378 2.093 1.00 20.45 O ATOM 0 H TYR A 35 0.932 -10.303 -2.135 1.00 74.20 H new ATOM 0 HA TYR A 35 1.038 -12.629 -0.253 1.00 63.51 H new ATOM 0 HB2 TYR A 35 -0.660 -12.117 -2.727 1.00 73.34 H new ATOM 0 HB3 TYR A 35 -0.301 -13.747 -2.193 1.00 73.34 H new ATOM 0 HD1 TYR A 35 -1.948 -10.549 -1.137 1.00 34.23 H new ATOM 0 HD2 TYR A 35 -1.421 -14.694 -0.246 1.00 42.42 H new ATOM 0 HE1 TYR A 35 -3.704 -10.409 0.568 1.00 61.31 H new ATOM 0 HE2 TYR A 35 -3.164 -14.539 1.470 1.00 63.21 H new ATOM 0 HH TYR A 35 -4.632 -13.254 2.516 1.00 20.45 H new ATOM 551 N PRO A 36 2.675 -13.982 -1.784 1.00 54.22 N ATOM 552 CA PRO A 36 3.904 -14.504 -2.462 1.00 74.23 C ATOM 553 C PRO A 36 3.688 -14.934 -3.941 1.00 42.32 C ATOM 554 O PRO A 36 4.539 -15.610 -4.522 1.00 74.31 O ATOM 555 CB PRO A 36 4.298 -15.704 -1.565 1.00 33.13 C ATOM 556 CG PRO A 36 2.992 -16.208 -1.031 1.00 22.14 C ATOM 557 CD PRO A 36 2.145 -14.970 -0.792 1.00 14.41 C ATOM 0 HA PRO A 36 4.674 -13.737 -2.550 1.00 74.23 H new ATOM 0 HB2 PRO A 36 4.819 -16.473 -2.135 1.00 33.13 H new ATOM 0 HB3 PRO A 36 4.966 -15.397 -0.760 1.00 33.13 H new ATOM 0 HG2 PRO A 36 2.511 -16.881 -1.741 1.00 22.14 H new ATOM 0 HG3 PRO A 36 3.136 -16.769 -0.108 1.00 22.14 H new ATOM 0 HD2 PRO A 36 1.086 -15.172 -0.954 1.00 14.41 H new ATOM 0 HD3 PRO A 36 2.247 -14.606 0.230 1.00 14.41 H new ATOM 565 N SER A 37 2.538 -14.535 -4.520 1.00 30.53 N ATOM 566 CA SER A 37 2.204 -14.707 -5.944 1.00 11.24 C ATOM 567 C SER A 37 1.172 -13.628 -6.334 1.00 0.11 C ATOM 568 O SER A 37 0.374 -13.197 -5.487 1.00 14.41 O ATOM 569 CB SER A 37 1.650 -16.130 -6.226 1.00 51.02 C ATOM 570 OG SER A 37 2.611 -17.135 -5.961 1.00 22.31 O ATOM 0 H SER A 37 1.797 -14.072 -3.994 1.00 30.53 H new ATOM 0 HA SER A 37 3.106 -14.594 -6.545 1.00 11.24 H new ATOM 0 HB2 SER A 37 0.766 -16.303 -5.613 1.00 51.02 H new ATOM 0 HB3 SER A 37 1.334 -16.196 -7.267 1.00 51.02 H new ATOM 0 HG SER A 37 3.419 -16.725 -5.587 1.00 22.31 H new ATOM 576 N TYR A 38 1.190 -13.198 -7.616 1.00 41.44 N ATOM 577 CA TYR A 38 0.335 -12.092 -8.110 1.00 70.25 C ATOM 578 C TYR A 38 -1.158 -12.472 -8.058 1.00 54.22 C ATOM 579 O TYR A 38 -1.959 -11.753 -7.462 1.00 24.44 O ATOM 580 CB TYR A 38 0.761 -11.669 -9.552 1.00 1.04 C ATOM 581 CG TYR A 38 -0.160 -10.641 -10.253 1.00 1.23 C ATOM 582 CD1 TYR A 38 -0.816 -9.626 -9.537 1.00 42.51 C ATOM 583 CD2 TYR A 38 -0.379 -10.693 -11.632 1.00 42.02 C ATOM 584 CE1 TYR A 38 -1.648 -8.728 -10.163 1.00 32.53 C ATOM 585 CE2 TYR A 38 -1.213 -9.781 -12.261 1.00 62.11 C ATOM 586 CZ TYR A 38 -1.846 -8.804 -11.518 1.00 44.24 C ATOM 587 OH TYR A 38 -2.669 -7.881 -12.130 1.00 4.41 O ATOM 0 H TYR A 38 1.792 -13.603 -8.333 1.00 41.44 H new ATOM 0 HA TYR A 38 0.476 -11.236 -7.450 1.00 70.25 H new ATOM 0 HB2 TYR A 38 1.768 -11.254 -9.506 1.00 1.04 H new ATOM 0 HB3 TYR A 38 0.813 -12.564 -10.172 1.00 1.04 H new ATOM 0 HD1 TYR A 38 -0.663 -9.549 -8.471 1.00 42.51 H new ATOM 0 HD2 TYR A 38 0.110 -11.457 -12.218 1.00 42.02 H new ATOM 0 HE1 TYR A 38 -2.146 -7.962 -9.587 1.00 32.53 H new ATOM 0 HE2 TYR A 38 -1.367 -9.835 -13.329 1.00 62.11 H new ATOM 0 HH TYR A 38 -2.463 -6.984 -11.793 1.00 4.41 H new ATOM 597 N ASP A 39 -1.506 -13.600 -8.697 1.00 62.21 N ATOM 598 CA ASP A 39 -2.895 -14.103 -8.793 1.00 41.30 C ATOM 599 C ASP A 39 -3.507 -14.390 -7.397 1.00 41.22 C ATOM 600 O ASP A 39 -4.734 -14.368 -7.243 1.00 31.00 O ATOM 601 CB ASP A 39 -2.925 -15.351 -9.725 1.00 41.41 C ATOM 602 CG ASP A 39 -4.307 -16.019 -9.857 1.00 25.02 C ATOM 603 OD1 ASP A 39 -5.167 -15.486 -10.585 1.00 31.31 O ATOM 604 OD2 ASP A 39 -4.537 -17.079 -9.232 1.00 1.51 O ATOM 0 H ASP A 39 -0.827 -14.198 -9.168 1.00 62.21 H new ATOM 0 HA ASP A 39 -3.524 -13.328 -9.232 1.00 41.30 H new ATOM 0 HB2 ASP A 39 -2.582 -15.056 -10.717 1.00 41.41 H new ATOM 0 HB3 ASP A 39 -2.215 -16.087 -9.348 1.00 41.41 H new ATOM 609 N GLU A 40 -2.643 -14.616 -6.385 1.00 35.41 N ATOM 610 CA GLU A 40 -3.074 -14.743 -4.979 1.00 25.24 C ATOM 611 C GLU A 40 -3.541 -13.394 -4.422 1.00 4.31 C ATOM 612 O GLU A 40 -4.556 -13.333 -3.737 1.00 52.24 O ATOM 613 CB GLU A 40 -1.942 -15.304 -4.084 1.00 65.25 C ATOM 614 CG GLU A 40 -1.498 -16.720 -4.446 1.00 55.43 C ATOM 615 CD GLU A 40 -2.660 -17.735 -4.485 1.00 23.31 C ATOM 616 OE1 GLU A 40 -3.223 -18.056 -3.414 1.00 5.32 O ATOM 617 OE2 GLU A 40 -3.019 -18.212 -5.584 1.00 54.02 O ATOM 0 H GLU A 40 -1.637 -14.715 -6.518 1.00 35.41 H new ATOM 0 HA GLU A 40 -3.908 -15.444 -4.966 1.00 25.24 H new ATOM 0 HB2 GLU A 40 -1.081 -14.638 -4.147 1.00 65.25 H new ATOM 0 HB3 GLU A 40 -2.276 -15.295 -3.047 1.00 65.25 H new ATOM 0 HG2 GLU A 40 -1.008 -16.702 -5.420 1.00 55.43 H new ATOM 0 HG3 GLU A 40 -0.756 -17.056 -3.722 1.00 55.43 H new ATOM 624 N ALA A 41 -2.796 -12.312 -4.725 1.00 1.20 N ATOM 625 CA ALA A 41 -3.147 -10.964 -4.272 1.00 30.02 C ATOM 626 C ALA A 41 -4.418 -10.489 -5.001 1.00 24.35 C ATOM 627 O ALA A 41 -5.325 -9.903 -4.405 1.00 63.44 O ATOM 628 CB ALA A 41 -1.956 -10.031 -4.517 1.00 73.32 C ATOM 0 H ALA A 41 -1.944 -12.353 -5.285 1.00 1.20 H new ATOM 0 HA ALA A 41 -3.364 -10.960 -3.204 1.00 30.02 H new ATOM 0 HB1 ALA A 41 -2.208 -9.024 -4.183 1.00 73.32 H new ATOM 0 HB2 ALA A 41 -1.091 -10.392 -3.961 1.00 73.32 H new ATOM 0 HB3 ALA A 41 -1.722 -10.012 -5.581 1.00 73.32 H new ATOM 634 N HIS A 42 -4.482 -10.842 -6.293 1.00 54.14 N ATOM 635 CA HIS A 42 -5.598 -10.516 -7.187 1.00 2.31 C ATOM 636 C HIS A 42 -6.901 -11.217 -6.719 1.00 0.21 C ATOM 637 O HIS A 42 -7.986 -10.659 -6.828 1.00 73.13 O ATOM 638 CB HIS A 42 -5.215 -10.926 -8.644 1.00 34.33 C ATOM 639 CG HIS A 42 -6.095 -10.386 -9.745 1.00 41.44 C ATOM 640 ND1 HIS A 42 -5.712 -10.386 -11.066 1.00 4.34 N ATOM 641 CD2 HIS A 42 -7.340 -9.853 -9.732 1.00 63.14 C ATOM 642 CE1 HIS A 42 -6.673 -9.887 -11.804 1.00 54.43 C ATOM 643 NE2 HIS A 42 -7.675 -9.555 -11.025 1.00 30.15 N ATOM 0 H HIS A 42 -3.743 -11.373 -6.753 1.00 54.14 H new ATOM 0 HA HIS A 42 -5.789 -9.443 -7.162 1.00 2.31 H new ATOM 0 HB2 HIS A 42 -4.192 -10.600 -8.833 1.00 34.33 H new ATOM 0 HB3 HIS A 42 -5.220 -12.014 -8.705 1.00 34.33 H new ATOM 0 HD1 HIS A 42 -4.816 -10.723 -11.418 1.00 4.34 H new ATOM 0 HD2 HIS A 42 -7.956 -9.692 -8.860 1.00 63.14 H new ATOM 0 HE1 HIS A 42 -6.645 -9.769 -12.877 1.00 54.43 H new ATOM 652 N LYS A 43 -6.761 -12.437 -6.182 1.00 34.34 N ATOM 653 CA LYS A 43 -7.888 -13.261 -5.704 1.00 60.02 C ATOM 654 C LYS A 43 -8.328 -12.812 -4.300 1.00 55.34 C ATOM 655 O LYS A 43 -9.531 -12.795 -3.983 1.00 12.10 O ATOM 656 CB LYS A 43 -7.450 -14.754 -5.672 1.00 4.43 C ATOM 657 CG LYS A 43 -8.600 -15.776 -5.742 1.00 32.25 C ATOM 658 CD LYS A 43 -9.319 -15.797 -7.116 1.00 74.40 C ATOM 659 CE LYS A 43 -8.522 -16.520 -8.228 1.00 53.22 C ATOM 660 NZ LYS A 43 -7.211 -15.886 -8.537 1.00 2.35 N ATOM 0 H LYS A 43 -5.853 -12.887 -6.065 1.00 34.34 H new ATOM 0 HA LYS A 43 -8.733 -13.140 -6.382 1.00 60.02 H new ATOM 0 HB2 LYS A 43 -6.773 -14.935 -6.507 1.00 4.43 H new ATOM 0 HB3 LYS A 43 -6.884 -14.930 -4.758 1.00 4.43 H new ATOM 0 HG2 LYS A 43 -8.207 -16.770 -5.530 1.00 32.25 H new ATOM 0 HG3 LYS A 43 -9.327 -15.548 -4.963 1.00 32.25 H new ATOM 0 HD2 LYS A 43 -10.287 -16.284 -7.001 1.00 74.40 H new ATOM 0 HD3 LYS A 43 -9.513 -14.771 -7.430 1.00 74.40 H new ATOM 0 HE2 LYS A 43 -8.353 -17.554 -7.927 1.00 53.22 H new ATOM 0 HE3 LYS A 43 -9.125 -16.547 -9.136 1.00 53.22 H new ATOM 0 HZ1 LYS A 43 -6.957 -16.078 -9.527 1.00 2.35 H new ATOM 0 HZ2 LYS A 43 -7.279 -14.859 -8.390 1.00 2.35 H new ATOM 0 HZ3 LYS A 43 -6.480 -16.278 -7.910 1.00 2.35 H new ATOM 674 N ALA A 44 -7.320 -12.437 -3.482 1.00 43.20 N ATOM 675 CA ALA A 44 -7.504 -12.032 -2.083 1.00 10.12 C ATOM 676 C ALA A 44 -8.327 -10.750 -1.971 1.00 73.34 C ATOM 677 O ALA A 44 -8.923 -10.507 -0.934 1.00 14.10 O ATOM 678 CB ALA A 44 -6.147 -11.845 -1.413 1.00 21.43 C ATOM 0 H ALA A 44 -6.346 -12.409 -3.785 1.00 43.20 H new ATOM 0 HA ALA A 44 -8.054 -12.824 -1.575 1.00 10.12 H new ATOM 0 HB1 ALA A 44 -6.292 -11.545 -0.375 1.00 21.43 H new ATOM 0 HB2 ALA A 44 -5.593 -12.783 -1.445 1.00 21.43 H new ATOM 0 HB3 ALA A 44 -5.585 -11.073 -1.939 1.00 21.43 H new ATOM 684 N TRP A 45 -8.329 -9.948 -3.058 1.00 71.24 N ATOM 685 CA TRP A 45 -9.176 -8.752 -3.208 1.00 62.42 C ATOM 686 C TRP A 45 -10.638 -9.069 -2.772 1.00 11.10 C ATOM 687 O TRP A 45 -11.194 -8.403 -1.905 1.00 51.03 O ATOM 688 CB TRP A 45 -9.083 -8.230 -4.708 1.00 5.25 C ATOM 689 CG TRP A 45 -10.421 -7.900 -5.365 1.00 64.53 C ATOM 690 CD1 TRP A 45 -11.139 -6.749 -5.240 1.00 31.33 C ATOM 691 CD2 TRP A 45 -11.197 -8.756 -6.234 1.00 3.33 C ATOM 692 NE1 TRP A 45 -12.309 -6.840 -5.952 1.00 64.30 N ATOM 693 CE2 TRP A 45 -12.374 -8.056 -6.564 1.00 14.55 C ATOM 694 CE3 TRP A 45 -11.014 -10.044 -6.756 1.00 63.41 C ATOM 695 CZ2 TRP A 45 -13.362 -8.595 -7.382 1.00 11.13 C ATOM 696 CZ3 TRP A 45 -11.994 -10.578 -7.568 1.00 44.51 C ATOM 697 CH2 TRP A 45 -13.158 -9.855 -7.872 1.00 50.33 C ATOM 0 H TRP A 45 -7.731 -10.119 -3.867 1.00 71.24 H new ATOM 0 HA TRP A 45 -8.822 -7.954 -2.556 1.00 62.42 H new ATOM 0 HB2 TRP A 45 -8.457 -7.338 -4.727 1.00 5.25 H new ATOM 0 HB3 TRP A 45 -8.578 -8.987 -5.309 1.00 5.25 H new ATOM 0 HD1 TRP A 45 -10.832 -5.889 -4.664 1.00 31.33 H new ATOM 0 HE1 TRP A 45 -13.019 -6.111 -6.014 1.00 64.30 H new ATOM 0 HE3 TRP A 45 -10.122 -10.608 -6.527 1.00 63.41 H new ATOM 0 HZ2 TRP A 45 -14.256 -8.039 -7.621 1.00 11.13 H new ATOM 0 HZ3 TRP A 45 -11.863 -11.569 -7.976 1.00 44.51 H new ATOM 0 HH2 TRP A 45 -13.908 -10.303 -8.506 1.00 50.33 H new ATOM 708 N LYS A 46 -11.207 -10.133 -3.360 1.00 41.44 N ATOM 709 CA LYS A 46 -12.623 -10.520 -3.148 1.00 62.14 C ATOM 710 C LYS A 46 -12.801 -11.292 -1.841 1.00 34.10 C ATOM 711 O LYS A 46 -13.823 -11.149 -1.167 1.00 34.20 O ATOM 712 CB LYS A 46 -13.103 -11.340 -4.355 1.00 20.31 C ATOM 713 CG LYS A 46 -14.522 -11.937 -4.274 1.00 52.54 C ATOM 714 CD LYS A 46 -14.942 -12.634 -5.590 1.00 41.13 C ATOM 715 CE LYS A 46 -13.917 -13.676 -6.091 1.00 24.50 C ATOM 716 NZ LYS A 46 -14.363 -14.345 -7.342 1.00 43.24 N ATOM 0 H LYS A 46 -10.705 -10.753 -3.996 1.00 41.44 H new ATOM 0 HA LYS A 46 -13.231 -9.620 -3.063 1.00 62.14 H new ATOM 0 HB2 LYS A 46 -13.053 -10.704 -5.239 1.00 20.31 H new ATOM 0 HB3 LYS A 46 -12.399 -12.158 -4.511 1.00 20.31 H new ATOM 0 HG2 LYS A 46 -14.565 -12.655 -3.455 1.00 52.54 H new ATOM 0 HG3 LYS A 46 -15.234 -11.145 -4.042 1.00 52.54 H new ATOM 0 HD2 LYS A 46 -15.904 -13.125 -5.441 1.00 41.13 H new ATOM 0 HD3 LYS A 46 -15.086 -11.878 -6.362 1.00 41.13 H new ATOM 0 HE2 LYS A 46 -12.959 -13.186 -6.264 1.00 24.50 H new ATOM 0 HE3 LYS A 46 -13.756 -14.426 -5.317 1.00 24.50 H new ATOM 0 HZ1 LYS A 46 -13.645 -15.035 -7.641 1.00 43.24 H new ATOM 0 HZ2 LYS A 46 -15.264 -14.835 -7.171 1.00 43.24 H new ATOM 0 HZ3 LYS A 46 -14.492 -13.633 -8.089 1.00 43.24 H new ATOM 730 N ALA A 47 -11.787 -12.098 -1.485 1.00 65.25 N ATOM 731 CA ALA A 47 -11.787 -12.877 -0.237 1.00 30.13 C ATOM 732 C ALA A 47 -11.849 -11.950 0.991 1.00 40.44 C ATOM 733 O ALA A 47 -12.487 -12.274 1.988 1.00 64.44 O ATOM 734 CB ALA A 47 -10.545 -13.771 -0.178 1.00 65.35 C ATOM 0 H ALA A 47 -10.949 -12.227 -2.051 1.00 65.25 H new ATOM 0 HA ALA A 47 -12.675 -13.508 -0.223 1.00 30.13 H new ATOM 0 HB1 ALA A 47 -10.553 -14.344 0.749 1.00 65.35 H new ATOM 0 HB2 ALA A 47 -10.548 -14.454 -1.027 1.00 65.35 H new ATOM 0 HB3 ALA A 47 -9.649 -13.152 -0.214 1.00 65.35 H new ATOM 740 N LYS A 48 -11.192 -10.785 0.868 1.00 72.51 N ATOM 741 CA LYS A 48 -11.148 -9.752 1.899 1.00 61.14 C ATOM 742 C LYS A 48 -12.392 -8.852 1.834 1.00 21.32 C ATOM 743 O LYS A 48 -13.008 -8.581 2.865 1.00 0.13 O ATOM 744 CB LYS A 48 -9.855 -8.917 1.718 1.00 51.11 C ATOM 745 CG LYS A 48 -8.550 -9.685 2.020 1.00 32.52 C ATOM 746 CD LYS A 48 -8.462 -10.182 3.478 1.00 43.31 C ATOM 747 CE LYS A 48 -8.489 -9.030 4.489 1.00 4.03 C ATOM 748 NZ LYS A 48 -8.282 -9.506 5.873 1.00 12.11 N ATOM 0 H LYS A 48 -10.668 -10.536 0.029 1.00 72.51 H new ATOM 0 HA LYS A 48 -11.142 -10.225 2.881 1.00 61.14 H new ATOM 0 HB2 LYS A 48 -9.816 -8.548 0.693 1.00 51.11 H new ATOM 0 HB3 LYS A 48 -9.907 -8.044 2.369 1.00 51.11 H new ATOM 0 HG2 LYS A 48 -8.474 -10.539 1.347 1.00 32.52 H new ATOM 0 HG3 LYS A 48 -7.698 -9.038 1.811 1.00 32.52 H new ATOM 0 HD2 LYS A 48 -9.293 -10.859 3.679 1.00 43.31 H new ATOM 0 HD3 LYS A 48 -7.545 -10.756 3.609 1.00 43.31 H new ATOM 0 HE2 LYS A 48 -7.715 -8.306 4.235 1.00 4.03 H new ATOM 0 HE3 LYS A 48 -9.445 -8.511 4.423 1.00 4.03 H new ATOM 0 HZ1 LYS A 48 -8.307 -8.697 6.526 1.00 12.11 H new ATOM 0 HZ2 LYS A 48 -9.035 -10.178 6.125 1.00 12.11 H new ATOM 0 HZ3 LYS A 48 -7.358 -9.979 5.943 1.00 12.11 H new ATOM 762 N ALA A 49 -12.750 -8.415 0.608 1.00 35.43 N ATOM 763 CA ALA A 49 -13.885 -7.495 0.367 1.00 70.34 C ATOM 764 C ALA A 49 -15.206 -8.066 0.912 1.00 71.10 C ATOM 765 O ALA A 49 -15.957 -7.363 1.586 1.00 14.14 O ATOM 766 CB ALA A 49 -14.014 -7.185 -1.134 1.00 72.45 C ATOM 0 H ALA A 49 -12.261 -8.690 -0.244 1.00 35.43 H new ATOM 0 HA ALA A 49 -13.679 -6.569 0.904 1.00 70.34 H new ATOM 0 HB1 ALA A 49 -14.853 -6.508 -1.295 1.00 72.45 H new ATOM 0 HB2 ALA A 49 -13.096 -6.717 -1.489 1.00 72.45 H new ATOM 0 HB3 ALA A 49 -14.185 -8.111 -1.683 1.00 72.45 H new ATOM 772 N GLN A 50 -15.449 -9.356 0.623 1.00 11.32 N ATOM 773 CA GLN A 50 -16.638 -10.090 1.096 1.00 54.33 C ATOM 774 C GLN A 50 -16.576 -10.350 2.608 1.00 23.35 C ATOM 775 O GLN A 50 -17.604 -10.316 3.289 1.00 10.41 O ATOM 776 CB GLN A 50 -16.773 -11.437 0.338 1.00 63.22 C ATOM 777 CG GLN A 50 -17.091 -11.289 -1.157 1.00 24.03 C ATOM 778 CD GLN A 50 -17.119 -12.617 -1.923 1.00 12.02 C ATOM 779 OE1 GLN A 50 -17.915 -12.800 -2.850 1.00 12.34 O ATOM 780 NE2 GLN A 50 -16.207 -13.533 -1.594 1.00 43.55 N ATOM 0 H GLN A 50 -14.823 -9.923 0.051 1.00 11.32 H new ATOM 0 HA GLN A 50 -17.511 -9.469 0.894 1.00 54.33 H new ATOM 0 HB2 GLN A 50 -15.844 -11.997 0.447 1.00 63.22 H new ATOM 0 HB3 GLN A 50 -17.559 -12.029 0.808 1.00 63.22 H new ATOM 0 HG2 GLN A 50 -18.058 -10.798 -1.265 1.00 24.03 H new ATOM 0 HG3 GLN A 50 -16.349 -10.634 -1.613 1.00 24.03 H new ATOM 0 HE21 GLN A 50 -15.562 -13.357 -0.824 1.00 43.55 H new ATOM 0 HE22 GLN A 50 -16.155 -14.410 -2.112 1.00 43.55 H new ATOM 789 N ALA A 51 -15.359 -10.615 3.116 1.00 32.33 N ATOM 790 CA ALA A 51 -15.132 -10.941 4.537 1.00 13.41 C ATOM 791 C ALA A 51 -15.408 -9.735 5.443 1.00 10.22 C ATOM 792 O ALA A 51 -15.876 -9.899 6.575 1.00 4.02 O ATOM 793 CB ALA A 51 -13.699 -11.444 4.743 1.00 33.43 C ATOM 0 H ALA A 51 -14.507 -10.609 2.555 1.00 32.33 H new ATOM 0 HA ALA A 51 -15.831 -11.731 4.813 1.00 13.41 H new ATOM 0 HB1 ALA A 51 -13.544 -11.681 5.796 1.00 33.43 H new ATOM 0 HB2 ALA A 51 -13.538 -12.339 4.142 1.00 33.43 H new ATOM 0 HB3 ALA A 51 -12.994 -10.670 4.438 1.00 33.43 H new ATOM 799 N THR A 52 -15.117 -8.532 4.931 1.00 4.54 N ATOM 800 CA THR A 52 -15.258 -7.282 5.685 1.00 73.13 C ATOM 801 C THR A 52 -16.687 -6.716 5.537 1.00 53.42 C ATOM 802 O THR A 52 -16.916 -5.698 4.874 1.00 61.05 O ATOM 803 CB THR A 52 -14.157 -6.261 5.241 1.00 24.41 C ATOM 804 OG1 THR A 52 -14.242 -6.003 3.823 1.00 61.14 O ATOM 805 CG2 THR A 52 -12.753 -6.800 5.572 1.00 15.52 C ATOM 0 H THR A 52 -14.776 -8.399 3.979 1.00 4.54 H new ATOM 0 HA THR A 52 -15.108 -7.480 6.746 1.00 73.13 H new ATOM 0 HB THR A 52 -14.326 -5.332 5.786 1.00 24.41 H new ATOM 0 HG1 THR A 52 -13.857 -6.757 3.330 1.00 61.14 H new ATOM 0 HG21 THR A 52 -12.002 -6.076 5.256 1.00 15.52 H new ATOM 0 HG22 THR A 52 -12.670 -6.963 6.646 1.00 15.52 H new ATOM 0 HG23 THR A 52 -12.592 -7.742 5.048 1.00 15.52 H new ATOM 813 N VAL A 53 -17.649 -7.443 6.137 1.00 65.33 N ATOM 814 CA VAL A 53 -19.084 -7.096 6.115 1.00 72.12 C ATOM 815 C VAL A 53 -19.355 -5.937 7.092 1.00 24.01 C ATOM 816 O VAL A 53 -20.061 -4.970 6.767 1.00 1.23 O ATOM 817 CB VAL A 53 -19.982 -8.340 6.505 1.00 1.23 C ATOM 818 CG1 VAL A 53 -21.493 -8.022 6.371 1.00 74.10 C ATOM 819 CG2 VAL A 53 -19.602 -9.591 5.676 1.00 54.31 C ATOM 0 H VAL A 53 -17.450 -8.298 6.657 1.00 65.33 H new ATOM 0 HA VAL A 53 -19.343 -6.792 5.101 1.00 72.12 H new ATOM 0 HB VAL A 53 -19.786 -8.561 7.554 1.00 1.23 H new ATOM 0 HG11 VAL A 53 -22.076 -8.901 6.647 1.00 74.10 H new ATOM 0 HG12 VAL A 53 -21.750 -7.194 7.031 1.00 74.10 H new ATOM 0 HG13 VAL A 53 -21.717 -7.748 5.340 1.00 74.10 H new ATOM 0 HG21 VAL A 53 -20.237 -10.428 5.968 1.00 54.31 H new ATOM 0 HG22 VAL A 53 -19.743 -9.381 4.616 1.00 54.31 H new ATOM 0 HG23 VAL A 53 -18.558 -9.846 5.860 1.00 54.31 H new ATOM 829 N ASP A 54 -18.772 -6.077 8.295 1.00 33.23 N ATOM 830 CA ASP A 54 -18.843 -5.082 9.383 1.00 24.24 C ATOM 831 C ASP A 54 -18.119 -3.786 8.982 1.00 54.24 C ATOM 832 O ASP A 54 -18.646 -2.684 9.190 1.00 44.41 O ATOM 833 CB ASP A 54 -18.218 -5.687 10.677 1.00 61.34 C ATOM 834 CG ASP A 54 -18.132 -4.695 11.856 1.00 3.33 C ATOM 835 OD1 ASP A 54 -19.119 -4.549 12.599 1.00 41.14 O ATOM 836 OD2 ASP A 54 -17.072 -4.057 12.045 1.00 75.33 O ATOM 0 H ASP A 54 -18.226 -6.902 8.545 1.00 33.23 H new ATOM 0 HA ASP A 54 -19.887 -4.833 9.574 1.00 24.24 H new ATOM 0 HB2 ASP A 54 -18.809 -6.550 10.984 1.00 61.34 H new ATOM 0 HB3 ASP A 54 -17.216 -6.051 10.448 1.00 61.34 H new ATOM 841 N ASN A 55 -16.909 -3.933 8.411 1.00 54.42 N ATOM 842 CA ASN A 55 -16.095 -2.800 7.959 1.00 31.40 C ATOM 843 C ASN A 55 -16.716 -2.178 6.685 1.00 15.13 C ATOM 844 O ASN A 55 -16.529 -2.678 5.570 1.00 15.12 O ATOM 845 CB ASN A 55 -14.630 -3.268 7.753 1.00 42.31 C ATOM 846 CG ASN A 55 -13.620 -2.158 7.446 1.00 45.20 C ATOM 847 OD1 ASN A 55 -12.577 -2.413 6.846 1.00 25.44 O ATOM 848 ND2 ASN A 55 -13.912 -0.919 7.828 1.00 13.31 N ATOM 0 H ASN A 55 -16.473 -4.841 8.252 1.00 54.42 H new ATOM 0 HA ASN A 55 -16.081 -2.015 8.715 1.00 31.40 H new ATOM 0 HB2 ASN A 55 -14.305 -3.793 8.651 1.00 42.31 H new ATOM 0 HB3 ASN A 55 -14.609 -3.990 6.937 1.00 42.31 H new ATOM 0 HD21 ASN A 55 -13.265 -0.157 7.625 1.00 13.31 H new ATOM 0 HD22 ASN A 55 -14.783 -0.730 8.324 1.00 13.31 H new ATOM 855 N ALA A 56 -17.484 -1.097 6.907 1.00 4.14 N ATOM 856 CA ALA A 56 -18.353 -0.455 5.903 1.00 62.25 C ATOM 857 C ALA A 56 -17.565 0.410 4.904 1.00 15.22 C ATOM 858 O ALA A 56 -16.578 1.060 5.274 1.00 44.24 O ATOM 859 CB ALA A 56 -19.386 0.408 6.631 1.00 52.21 C ATOM 0 H ALA A 56 -17.519 -0.632 7.814 1.00 4.14 H new ATOM 0 HA ALA A 56 -18.838 -1.242 5.326 1.00 62.25 H new ATOM 0 HB1 ALA A 56 -20.037 0.890 5.901 1.00 52.21 H new ATOM 0 HB2 ALA A 56 -19.984 -0.220 7.292 1.00 52.21 H new ATOM 0 HB3 ALA A 56 -18.874 1.170 7.219 1.00 52.21 H new ATOM 865 N HIS A 57 -18.023 0.384 3.627 1.00 25.25 N ATOM 866 CA HIS A 57 -17.479 1.196 2.501 1.00 71.31 C ATOM 867 C HIS A 57 -16.001 0.887 2.190 1.00 60.44 C ATOM 868 O HIS A 57 -15.394 1.537 1.334 1.00 21.02 O ATOM 869 CB HIS A 57 -17.661 2.727 2.752 1.00 44.43 C ATOM 870 CG HIS A 57 -19.084 3.237 2.734 1.00 22.33 C ATOM 871 ND1 HIS A 57 -19.420 4.535 3.057 1.00 34.21 N ATOM 872 CD2 HIS A 57 -20.254 2.628 2.420 1.00 43.20 C ATOM 873 CE1 HIS A 57 -20.724 4.694 2.944 1.00 53.02 C ATOM 874 NE2 HIS A 57 -21.252 3.551 2.560 1.00 74.01 N ATOM 0 H HIS A 57 -18.798 -0.214 3.342 1.00 25.25 H new ATOM 0 HA HIS A 57 -18.063 0.908 1.627 1.00 71.31 H new ATOM 0 HB2 HIS A 57 -17.221 2.971 3.719 1.00 44.43 H new ATOM 0 HB3 HIS A 57 -17.092 3.269 1.996 1.00 44.43 H new ATOM 0 HD2 HIS A 57 -20.375 1.599 2.114 1.00 43.20 H new ATOM 0 HE1 HIS A 57 -21.267 5.608 3.134 1.00 53.02 H new ATOM 0 HE2 HIS A 57 -22.244 3.382 2.394 1.00 74.01 H new ATOM 883 N ALA A 58 -15.448 -0.128 2.854 1.00 62.43 N ATOM 884 CA ALA A 58 -14.042 -0.492 2.745 1.00 1.02 C ATOM 885 C ALA A 58 -13.871 -1.496 1.613 1.00 3.21 C ATOM 886 O ALA A 58 -14.154 -2.690 1.769 1.00 35.22 O ATOM 887 CB ALA A 58 -13.528 -1.039 4.075 1.00 33.13 C ATOM 0 H ALA A 58 -15.974 -0.726 3.491 1.00 62.43 H new ATOM 0 HA ALA A 58 -13.448 0.391 2.512 1.00 1.02 H new ATOM 0 HB1 ALA A 58 -12.476 -1.306 3.976 1.00 33.13 H new ATOM 0 HB2 ALA A 58 -13.638 -0.279 4.848 1.00 33.13 H new ATOM 0 HB3 ALA A 58 -14.103 -1.923 4.351 1.00 33.13 H new ATOM 893 N ARG A 59 -13.477 -0.978 0.453 1.00 73.51 N ATOM 894 CA ARG A 59 -13.290 -1.773 -0.758 1.00 41.51 C ATOM 895 C ARG A 59 -11.845 -2.260 -0.817 1.00 0.14 C ATOM 896 O ARG A 59 -10.926 -1.492 -1.131 1.00 71.54 O ATOM 897 CB ARG A 59 -13.709 -0.959 -2.020 1.00 73.31 C ATOM 898 CG ARG A 59 -15.208 -1.100 -2.402 1.00 54.14 C ATOM 899 CD ARG A 59 -16.187 -0.665 -1.291 1.00 72.33 C ATOM 900 NE ARG A 59 -17.582 -1.040 -1.608 1.00 13.33 N ATOM 901 CZ ARG A 59 -18.408 -1.736 -0.796 1.00 13.43 C ATOM 902 NH1 ARG A 59 -18.009 -2.143 0.406 1.00 64.55 N ATOM 903 NH2 ARG A 59 -19.644 -2.007 -1.184 1.00 73.35 N ATOM 0 H ARG A 59 -13.277 0.014 0.326 1.00 73.51 H new ATOM 0 HA ARG A 59 -13.936 -2.651 -0.736 1.00 41.51 H new ATOM 0 HB2 ARG A 59 -13.487 0.094 -1.849 1.00 73.31 H new ATOM 0 HB3 ARG A 59 -13.099 -1.280 -2.864 1.00 73.31 H new ATOM 0 HG2 ARG A 59 -15.401 -0.505 -3.295 1.00 54.14 H new ATOM 0 HG3 ARG A 59 -15.409 -2.139 -2.662 1.00 54.14 H new ATOM 0 HD2 ARG A 59 -15.893 -1.125 -0.347 1.00 72.33 H new ATOM 0 HD3 ARG A 59 -16.123 0.414 -1.153 1.00 72.33 H new ATOM 0 HE ARG A 59 -17.951 -0.750 -2.514 1.00 13.33 H new ATOM 0 HH11 ARG A 59 -17.065 -1.931 0.729 1.00 64.55 H new ATOM 0 HH12 ARG A 59 -18.647 -2.667 1.005 1.00 64.55 H new ATOM 0 HH21 ARG A 59 -19.973 -1.691 -2.096 1.00 73.35 H new ATOM 0 HH22 ARG A 59 -20.267 -2.532 -0.571 1.00 73.35 H new ATOM 917 N TYR A 60 -11.671 -3.530 -0.416 1.00 33.04 N ATOM 918 CA TYR A 60 -10.391 -4.231 -0.428 1.00 3.32 C ATOM 919 C TYR A 60 -9.987 -4.575 -1.867 1.00 44.43 C ATOM 920 O TYR A 60 -10.246 -5.666 -2.367 1.00 71.31 O ATOM 921 CB TYR A 60 -10.462 -5.472 0.516 1.00 35.41 C ATOM 922 CG TYR A 60 -10.430 -5.091 2.012 1.00 32.54 C ATOM 923 CD1 TYR A 60 -11.394 -4.248 2.567 1.00 41.43 C ATOM 924 CD2 TYR A 60 -9.411 -5.531 2.853 1.00 1.11 C ATOM 925 CE1 TYR A 60 -11.330 -3.859 3.887 1.00 25.03 C ATOM 926 CE2 TYR A 60 -9.355 -5.153 4.179 1.00 52.13 C ATOM 927 CZ TYR A 60 -10.311 -4.312 4.687 1.00 23.42 C ATOM 928 OH TYR A 60 -10.248 -3.917 5.998 1.00 53.25 O ATOM 0 H TYR A 60 -12.438 -4.105 -0.068 1.00 33.04 H new ATOM 0 HA TYR A 60 -9.603 -3.586 -0.039 1.00 3.32 H new ATOM 0 HB2 TYR A 60 -11.375 -6.029 0.308 1.00 35.41 H new ATOM 0 HB3 TYR A 60 -9.626 -6.137 0.298 1.00 35.41 H new ATOM 0 HD1 TYR A 60 -12.206 -3.894 1.949 1.00 41.43 H new ATOM 0 HD2 TYR A 60 -8.646 -6.184 2.458 1.00 1.11 H new ATOM 0 HE1 TYR A 60 -12.082 -3.198 4.292 1.00 25.03 H new ATOM 0 HE2 TYR A 60 -8.561 -5.518 4.814 1.00 52.13 H new ATOM 0 HH TYR A 60 -11.065 -3.428 6.232 1.00 53.25 H new ATOM 938 N PHE A 61 -9.414 -3.559 -2.531 1.00 42.20 N ATOM 939 CA PHE A 61 -8.910 -3.640 -3.910 1.00 41.11 C ATOM 940 C PHE A 61 -7.372 -3.776 -3.884 1.00 74.11 C ATOM 941 O PHE A 61 -6.792 -4.173 -2.870 1.00 72.43 O ATOM 942 CB PHE A 61 -9.374 -2.386 -4.724 1.00 14.34 C ATOM 943 CG PHE A 61 -10.878 -2.265 -5.016 1.00 20.44 C ATOM 944 CD1 PHE A 61 -11.746 -3.354 -4.908 1.00 53.30 C ATOM 945 CD2 PHE A 61 -11.416 -1.047 -5.438 1.00 72.52 C ATOM 946 CE1 PHE A 61 -13.090 -3.229 -5.207 1.00 54.41 C ATOM 947 CE2 PHE A 61 -12.765 -0.920 -5.734 1.00 43.43 C ATOM 948 CZ PHE A 61 -13.599 -2.013 -5.620 1.00 41.30 C ATOM 0 H PHE A 61 -9.286 -2.637 -2.114 1.00 42.20 H new ATOM 0 HA PHE A 61 -9.319 -4.519 -4.408 1.00 41.11 H new ATOM 0 HB2 PHE A 61 -9.061 -1.494 -4.181 1.00 14.34 H new ATOM 0 HB3 PHE A 61 -8.842 -2.383 -5.675 1.00 14.34 H new ATOM 0 HD1 PHE A 61 -11.361 -4.310 -4.585 1.00 53.30 H new ATOM 0 HD2 PHE A 61 -10.769 -0.188 -5.536 1.00 72.52 H new ATOM 0 HE1 PHE A 61 -13.744 -4.084 -5.117 1.00 54.41 H new ATOM 0 HE2 PHE A 61 -13.162 0.032 -6.053 1.00 43.43 H new ATOM 0 HZ PHE A 61 -14.649 -1.918 -5.853 1.00 41.30 H new ATOM 958 N ILE A 62 -6.711 -3.456 -5.011 1.00 44.43 N ATOM 959 CA ILE A 62 -5.285 -3.775 -5.230 1.00 72.03 C ATOM 960 C ILE A 62 -4.543 -2.493 -5.673 1.00 63.21 C ATOM 961 O ILE A 62 -5.130 -1.639 -6.333 1.00 65.33 O ATOM 962 CB ILE A 62 -5.142 -4.904 -6.337 1.00 22.13 C ATOM 963 CG1 ILE A 62 -6.227 -6.020 -6.170 1.00 0.43 C ATOM 964 CG2 ILE A 62 -3.739 -5.533 -6.307 1.00 23.31 C ATOM 965 CD1 ILE A 62 -6.344 -6.972 -7.347 1.00 62.54 C ATOM 0 H ILE A 62 -7.147 -2.970 -5.795 1.00 44.43 H new ATOM 0 HA ILE A 62 -4.847 -4.145 -4.303 1.00 72.03 H new ATOM 0 HB ILE A 62 -5.293 -4.422 -7.303 1.00 22.13 H new ATOM 0 HG12 ILE A 62 -6.000 -6.598 -5.274 1.00 0.43 H new ATOM 0 HG13 ILE A 62 -7.195 -5.546 -6.006 1.00 0.43 H new ATOM 0 HG21 ILE A 62 -3.669 -6.303 -7.075 1.00 23.31 H new ATOM 0 HG22 ILE A 62 -2.991 -4.763 -6.496 1.00 23.31 H new ATOM 0 HG23 ILE A 62 -3.561 -5.980 -5.329 1.00 23.31 H new ATOM 0 HD11 ILE A 62 -7.119 -7.710 -7.142 1.00 62.54 H new ATOM 0 HD12 ILE A 62 -6.605 -6.411 -8.244 1.00 62.54 H new ATOM 0 HD13 ILE A 62 -5.392 -7.479 -7.501 1.00 62.54 H new ATOM 977 N ILE A 63 -3.265 -2.346 -5.294 1.00 52.53 N ATOM 978 CA ILE A 63 -2.404 -1.218 -5.729 1.00 11.44 C ATOM 979 C ILE A 63 -1.214 -1.750 -6.548 1.00 11.41 C ATOM 980 O ILE A 63 -0.743 -2.874 -6.340 1.00 73.14 O ATOM 981 CB ILE A 63 -1.929 -0.324 -4.503 1.00 12.44 C ATOM 982 CG1 ILE A 63 -3.129 0.536 -4.001 1.00 74.42 C ATOM 983 CG2 ILE A 63 -0.701 0.571 -4.832 1.00 64.21 C ATOM 984 CD1 ILE A 63 -2.801 1.573 -2.948 1.00 24.55 C ATOM 0 H ILE A 63 -2.791 -3.004 -4.675 1.00 52.53 H new ATOM 0 HA ILE A 63 -2.996 -0.564 -6.370 1.00 11.44 H new ATOM 0 HB ILE A 63 -1.596 -0.999 -3.714 1.00 12.44 H new ATOM 0 HG12 ILE A 63 -3.572 1.043 -4.858 1.00 74.42 H new ATOM 0 HG13 ILE A 63 -3.889 -0.134 -3.600 1.00 74.42 H new ATOM 0 HG21 ILE A 63 -0.430 1.154 -3.952 1.00 64.21 H new ATOM 0 HG22 ILE A 63 0.140 -0.058 -5.124 1.00 64.21 H new ATOM 0 HG23 ILE A 63 -0.951 1.245 -5.651 1.00 64.21 H new ATOM 0 HD11 ILE A 63 -3.708 2.112 -2.673 1.00 24.55 H new ATOM 0 HD12 ILE A 63 -2.390 1.080 -2.067 1.00 24.55 H new ATOM 0 HD13 ILE A 63 -2.068 2.275 -3.345 1.00 24.55 H new ATOM 996 N HIS A 64 -0.766 -0.913 -7.500 1.00 2.13 N ATOM 997 CA HIS A 64 0.350 -1.209 -8.401 1.00 31.44 C ATOM 998 C HIS A 64 1.666 -1.140 -7.604 1.00 73.35 C ATOM 999 O HIS A 64 2.012 -0.075 -7.088 1.00 24.31 O ATOM 1000 CB HIS A 64 0.411 -0.162 -9.564 1.00 75.44 C ATOM 1001 CG HIS A 64 -0.882 0.137 -10.299 1.00 43.21 C ATOM 1002 ND1 HIS A 64 -0.995 0.056 -11.671 1.00 62.33 N ATOM 1003 CD2 HIS A 64 -2.075 0.632 -9.867 1.00 70.11 C ATOM 1004 CE1 HIS A 64 -2.180 0.487 -12.045 1.00 50.42 C ATOM 1005 NE2 HIS A 64 -2.858 0.842 -10.972 1.00 3.33 N ATOM 0 H HIS A 64 -1.181 0.004 -7.664 1.00 2.13 H new ATOM 0 HA HIS A 64 0.207 -2.203 -8.825 1.00 31.44 H new ATOM 0 HB2 HIS A 64 0.791 0.774 -9.155 1.00 75.44 H new ATOM 0 HB3 HIS A 64 1.141 -0.511 -10.294 1.00 75.44 H new ATOM 0 HD2 HIS A 64 -2.353 0.824 -8.841 1.00 70.11 H new ATOM 0 HE1 HIS A 64 -2.538 0.541 -13.062 1.00 50.42 H new ATOM 0 HE2 HIS A 64 -3.809 1.212 -10.965 1.00 3.33 H new ATOM 1014 N ALA A 65 2.382 -2.266 -7.502 1.00 74.43 N ATOM 1015 CA ALA A 65 3.648 -2.346 -6.761 1.00 53.13 C ATOM 1016 C ALA A 65 4.728 -2.988 -7.636 1.00 44.55 C ATOM 1017 O ALA A 65 4.716 -4.205 -7.869 1.00 61.13 O ATOM 1018 CB ALA A 65 3.452 -3.125 -5.469 1.00 33.41 C ATOM 0 H ALA A 65 2.101 -3.148 -7.931 1.00 74.43 H new ATOM 0 HA ALA A 65 3.975 -1.339 -6.501 1.00 53.13 H new ATOM 0 HB1 ALA A 65 4.397 -3.177 -4.929 1.00 33.41 H new ATOM 0 HB2 ALA A 65 2.708 -2.623 -4.851 1.00 33.41 H new ATOM 0 HB3 ALA A 65 3.110 -4.134 -5.701 1.00 33.41 H new ATOM 1024 N HIS A 66 5.627 -2.134 -8.140 1.00 34.11 N ATOM 1025 CA HIS A 66 6.784 -2.529 -8.947 1.00 35.32 C ATOM 1026 C HIS A 66 7.727 -1.322 -9.017 1.00 62.20 C ATOM 1027 O HIS A 66 8.921 -1.429 -8.747 1.00 33.12 O ATOM 1028 CB HIS A 66 6.357 -2.982 -10.375 1.00 34.22 C ATOM 1029 CG HIS A 66 7.419 -3.748 -11.119 1.00 64.24 C ATOM 1030 ND1 HIS A 66 8.657 -3.223 -11.433 1.00 41.03 N ATOM 1031 CD2 HIS A 66 7.427 -5.017 -11.594 1.00 13.42 C ATOM 1032 CE1 HIS A 66 9.373 -4.133 -12.060 1.00 15.20 C ATOM 1033 NE2 HIS A 66 8.651 -5.231 -12.167 1.00 71.54 N ATOM 0 H HIS A 66 5.567 -1.126 -7.994 1.00 34.11 H new ATOM 0 HA HIS A 66 7.284 -3.382 -8.489 1.00 35.32 H new ATOM 0 HB2 HIS A 66 5.464 -3.602 -10.296 1.00 34.22 H new ATOM 0 HB3 HIS A 66 6.083 -2.102 -10.957 1.00 34.22 H new ATOM 0 HD2 HIS A 66 6.617 -5.728 -11.532 1.00 13.42 H new ATOM 0 HE1 HIS A 66 10.381 -4.002 -12.425 1.00 15.20 H new ATOM 0 HE2 HIS A 66 8.956 -6.100 -12.606 1.00 71.54 H new ATOM 1042 N LYS A 67 7.155 -0.167 -9.398 1.00 73.42 N ATOM 1043 CA LYS A 67 7.860 1.126 -9.405 1.00 41.22 C ATOM 1044 C LYS A 67 7.438 1.930 -8.164 1.00 22.24 C ATOM 1045 O LYS A 67 6.255 2.255 -8.006 1.00 44.21 O ATOM 1046 CB LYS A 67 7.536 1.920 -10.698 1.00 55.50 C ATOM 1047 CG LYS A 67 8.151 3.343 -10.753 1.00 54.10 C ATOM 1048 CD LYS A 67 7.765 4.121 -12.036 1.00 53.53 C ATOM 1049 CE LYS A 67 8.242 5.585 -12.006 1.00 52.23 C ATOM 1050 NZ LYS A 67 7.793 6.342 -13.207 1.00 55.13 N ATOM 0 H LYS A 67 6.186 -0.104 -9.711 1.00 73.42 H new ATOM 0 HA LYS A 67 8.936 0.951 -9.381 1.00 41.22 H new ATOM 0 HB2 LYS A 67 7.892 1.351 -11.557 1.00 55.50 H new ATOM 0 HB3 LYS A 67 6.454 2.002 -10.797 1.00 55.50 H new ATOM 0 HG2 LYS A 67 7.824 3.908 -9.880 1.00 54.10 H new ATOM 0 HG3 LYS A 67 9.237 3.266 -10.694 1.00 54.10 H new ATOM 0 HD2 LYS A 67 8.195 3.620 -12.903 1.00 53.53 H new ATOM 0 HD3 LYS A 67 6.682 4.098 -12.159 1.00 53.53 H new ATOM 0 HE2 LYS A 67 7.862 6.072 -11.108 1.00 52.23 H new ATOM 0 HE3 LYS A 67 9.330 5.611 -11.947 1.00 52.23 H new ATOM 0 HZ1 LYS A 67 8.135 7.322 -13.147 1.00 55.13 H new ATOM 0 HZ2 LYS A 67 8.176 5.893 -14.063 1.00 55.13 H new ATOM 0 HZ3 LYS A 67 6.754 6.340 -13.250 1.00 55.13 H new ATOM 1064 N LEU A 68 8.400 2.208 -7.279 1.00 55.15 N ATOM 1065 CA LEU A 68 8.195 3.050 -6.093 1.00 24.22 C ATOM 1066 C LEU A 68 8.810 4.433 -6.341 1.00 5.54 C ATOM 1067 O LEU A 68 9.916 4.547 -6.896 1.00 43.44 O ATOM 1068 CB LEU A 68 8.813 2.381 -4.840 1.00 14.33 C ATOM 1069 CG LEU A 68 8.184 1.015 -4.435 1.00 24.01 C ATOM 1070 CD1 LEU A 68 8.853 0.406 -3.192 1.00 12.33 C ATOM 1071 CD2 LEU A 68 6.667 1.144 -4.230 1.00 35.03 C ATOM 0 H LEU A 68 9.352 1.852 -7.365 1.00 55.15 H new ATOM 0 HA LEU A 68 7.127 3.168 -5.911 1.00 24.22 H new ATOM 0 HB2 LEU A 68 9.879 2.234 -5.016 1.00 14.33 H new ATOM 0 HB3 LEU A 68 8.721 3.068 -3.999 1.00 14.33 H new ATOM 0 HG LEU A 68 8.364 0.329 -5.263 1.00 24.01 H new ATOM 0 HD11 LEU A 68 8.378 -0.545 -2.952 1.00 12.33 H new ATOM 0 HD12 LEU A 68 9.912 0.242 -3.392 1.00 12.33 H new ATOM 0 HD13 LEU A 68 8.745 1.089 -2.349 1.00 12.33 H new ATOM 0 HD21 LEU A 68 6.254 0.175 -3.948 1.00 35.03 H new ATOM 0 HD22 LEU A 68 6.467 1.868 -3.440 1.00 35.03 H new ATOM 0 HD23 LEU A 68 6.202 1.481 -5.157 1.00 35.03 H new ATOM 1083 N LEU A 69 8.081 5.475 -5.929 1.00 74.34 N ATOM 1084 CA LEU A 69 8.467 6.869 -6.136 1.00 11.05 C ATOM 1085 C LEU A 69 9.514 7.279 -5.095 1.00 51.43 C ATOM 1086 O LEU A 69 9.176 7.755 -4.008 1.00 31.03 O ATOM 1087 CB LEU A 69 7.210 7.778 -6.056 1.00 25.15 C ATOM 1088 CG LEU A 69 6.003 7.333 -6.934 1.00 24.22 C ATOM 1089 CD1 LEU A 69 4.789 8.246 -6.700 1.00 32.12 C ATOM 1090 CD2 LEU A 69 6.391 7.261 -8.433 1.00 1.21 C ATOM 0 H LEU A 69 7.194 5.369 -5.436 1.00 74.34 H new ATOM 0 HA LEU A 69 8.909 6.984 -7.126 1.00 11.05 H new ATOM 0 HB2 LEU A 69 6.883 7.826 -5.017 1.00 25.15 H new ATOM 0 HB3 LEU A 69 7.495 8.789 -6.347 1.00 25.15 H new ATOM 0 HG LEU A 69 5.718 6.326 -6.630 1.00 24.22 H new ATOM 0 HD11 LEU A 69 3.959 7.915 -7.324 1.00 32.12 H new ATOM 0 HD12 LEU A 69 4.495 8.199 -5.651 1.00 32.12 H new ATOM 0 HD13 LEU A 69 5.050 9.272 -6.958 1.00 32.12 H new ATOM 0 HD21 LEU A 69 5.526 6.948 -9.018 1.00 1.21 H new ATOM 0 HD22 LEU A 69 6.721 8.243 -8.771 1.00 1.21 H new ATOM 0 HD23 LEU A 69 7.199 6.541 -8.566 1.00 1.21 H new ATOM 1102 N ASP A 70 10.777 6.994 -5.407 1.00 64.23 N ATOM 1103 CA ASP A 70 11.913 7.465 -4.608 1.00 51.05 C ATOM 1104 C ASP A 70 12.256 8.897 -5.053 1.00 14.41 C ATOM 1105 O ASP A 70 12.585 9.107 -6.222 1.00 21.42 O ATOM 1106 CB ASP A 70 13.143 6.549 -4.757 1.00 32.40 C ATOM 1107 CG ASP A 70 14.297 6.939 -3.801 1.00 30.33 C ATOM 1108 OD1 ASP A 70 15.113 7.813 -4.162 1.00 60.24 O ATOM 1109 OD2 ASP A 70 14.384 6.373 -2.684 1.00 43.33 O ATOM 0 H ASP A 70 11.044 6.433 -6.216 1.00 64.23 H new ATOM 0 HA ASP A 70 11.634 7.448 -3.554 1.00 51.05 H new ATOM 0 HB2 ASP A 70 12.849 5.518 -4.563 1.00 32.40 H new ATOM 0 HB3 ASP A 70 13.499 6.590 -5.786 1.00 32.40 H new ATOM 1114 N PRO A 71 12.156 9.894 -4.134 1.00 1.05 N ATOM 1115 CA PRO A 71 12.433 11.334 -4.420 1.00 12.43 C ATOM 1116 C PRO A 71 13.817 11.636 -5.031 1.00 31.15 C ATOM 1117 O PRO A 71 13.961 12.591 -5.810 1.00 11.23 O ATOM 1118 CB PRO A 71 12.301 11.980 -3.027 1.00 31.53 C ATOM 1119 CG PRO A 71 11.323 11.098 -2.331 1.00 15.15 C ATOM 1120 CD PRO A 71 11.705 9.711 -2.735 1.00 5.14 C ATOM 0 HA PRO A 71 11.751 11.714 -5.181 1.00 12.43 H new ATOM 0 HB2 PRO A 71 13.258 12.010 -2.505 1.00 31.53 H new ATOM 0 HB3 PRO A 71 11.941 13.007 -3.092 1.00 31.53 H new ATOM 0 HG2 PRO A 71 11.377 11.224 -1.250 1.00 15.15 H new ATOM 0 HG3 PRO A 71 10.300 11.329 -2.629 1.00 15.15 H new ATOM 0 HD2 PRO A 71 12.497 9.308 -2.103 1.00 5.14 H new ATOM 0 HD3 PRO A 71 10.863 9.023 -2.668 1.00 5.14 H new ATOM 1128 N SER A 72 14.834 10.836 -4.672 1.00 1.43 N ATOM 1129 CA SER A 72 16.206 11.036 -5.171 1.00 53.50 C ATOM 1130 C SER A 72 16.369 10.413 -6.575 1.00 45.11 C ATOM 1131 O SER A 72 17.262 10.806 -7.339 1.00 44.13 O ATOM 1132 CB SER A 72 17.227 10.454 -4.164 1.00 14.52 C ATOM 1133 OG SER A 72 18.562 10.837 -4.475 1.00 23.42 O ATOM 0 H SER A 72 14.733 10.044 -4.038 1.00 1.43 H new ATOM 0 HA SER A 72 16.400 12.105 -5.265 1.00 53.50 H new ATOM 0 HB2 SER A 72 16.978 10.793 -3.159 1.00 14.52 H new ATOM 0 HB3 SER A 72 17.153 9.366 -4.161 1.00 14.52 H new ATOM 0 HG SER A 72 19.175 10.451 -3.815 1.00 23.42 H new ATOM 1227 N GLN B 105 -8.217 14.985 -0.453 1.00 34.22 N ATOM 1228 CA GLN B 105 -8.073 13.953 0.588 1.00 15.20 C ATOM 1229 C GLN B 105 -7.377 12.694 0.041 1.00 61.40 C ATOM 1230 O GLN B 105 -6.955 11.843 0.808 1.00 64.12 O ATOM 1231 CB GLN B 105 -9.462 13.626 1.203 1.00 22.12 C ATOM 1232 CG GLN B 105 -10.605 13.331 0.200 1.00 34.22 C ATOM 1233 CD GLN B 105 -10.487 12.013 -0.574 1.00 64.23 C ATOM 1234 OE1 GLN B 105 -10.921 11.924 -1.718 1.00 72.40 O ATOM 1235 NE2 GLN B 105 -9.923 10.975 0.033 1.00 64.10 N ATOM 0 HA GLN B 105 -7.432 14.342 1.379 1.00 15.20 H new ATOM 0 HB2 GLN B 105 -9.351 12.762 1.859 1.00 22.12 H new ATOM 0 HB3 GLN B 105 -9.765 14.465 1.829 1.00 22.12 H new ATOM 0 HG2 GLN B 105 -11.549 13.328 0.744 1.00 34.22 H new ATOM 0 HG3 GLN B 105 -10.654 14.150 -0.518 1.00 34.22 H new ATOM 0 HE21 GLN B 105 -9.569 11.071 0.985 1.00 64.10 H new ATOM 0 HE22 GLN B 105 -9.844 10.081 -0.453 1.00 64.10 H new ATOM 1244 N LEU B 106 -7.296 12.565 -1.289 1.00 11.21 N ATOM 1245 CA LEU B 106 -6.681 11.396 -1.951 1.00 34.13 C ATOM 1246 C LEU B 106 -5.351 11.841 -2.587 1.00 3.31 C ATOM 1247 O LEU B 106 -5.314 12.860 -3.283 1.00 3.34 O ATOM 1248 CB LEU B 106 -7.685 10.818 -2.989 1.00 24.30 C ATOM 1249 CG LEU B 106 -7.257 9.514 -3.736 1.00 3.52 C ATOM 1250 CD1 LEU B 106 -6.965 8.369 -2.752 1.00 51.02 C ATOM 1251 CD2 LEU B 106 -8.319 9.089 -4.773 1.00 53.42 C ATOM 0 H LEU B 106 -7.653 13.264 -1.940 1.00 11.21 H new ATOM 0 HA LEU B 106 -6.458 10.600 -1.241 1.00 34.13 H new ATOM 0 HB2 LEU B 106 -8.627 10.622 -2.477 1.00 24.30 H new ATOM 0 HB3 LEU B 106 -7.882 11.588 -3.735 1.00 24.30 H new ATOM 0 HG LEU B 106 -6.333 9.736 -4.270 1.00 3.52 H new ATOM 0 HD11 LEU B 106 -6.670 7.478 -3.307 1.00 51.02 H new ATOM 0 HD12 LEU B 106 -6.157 8.662 -2.082 1.00 51.02 H new ATOM 0 HD13 LEU B 106 -7.860 8.153 -2.169 1.00 51.02 H new ATOM 0 HD21 LEU B 106 -7.992 8.179 -5.276 1.00 53.42 H new ATOM 0 HD22 LEU B 106 -9.267 8.904 -4.268 1.00 53.42 H new ATOM 0 HD23 LEU B 106 -8.448 9.883 -5.508 1.00 53.42 H new ATOM 1263 N LEU B 107 -4.261 11.090 -2.312 1.00 45.42 N ATOM 1264 CA LEU B 107 -2.883 11.469 -2.680 1.00 51.34 C ATOM 1265 C LEU B 107 -1.996 10.214 -2.817 1.00 43.52 C ATOM 1266 O LEU B 107 -2.490 9.076 -2.807 1.00 50.35 O ATOM 1267 CB LEU B 107 -2.246 12.517 -1.669 1.00 3.11 C ATOM 1268 CG LEU B 107 -2.385 12.312 -0.104 1.00 73.44 C ATOM 1269 CD1 LEU B 107 -3.797 12.655 0.411 1.00 1.31 C ATOM 1270 CD2 LEU B 107 -1.941 10.903 0.374 1.00 71.41 C ATOM 0 H LEU B 107 -4.316 10.196 -1.824 1.00 45.42 H new ATOM 0 HA LEU B 107 -2.934 11.968 -3.648 1.00 51.34 H new ATOM 0 HB2 LEU B 107 -1.181 12.573 -1.893 1.00 3.11 H new ATOM 0 HB3 LEU B 107 -2.673 13.492 -1.905 1.00 3.11 H new ATOM 0 HG LEU B 107 -1.690 13.025 0.340 1.00 73.44 H new ATOM 0 HD11 LEU B 107 -3.839 12.498 1.489 1.00 1.31 H new ATOM 0 HD12 LEU B 107 -4.023 13.698 0.187 1.00 1.31 H new ATOM 0 HD13 LEU B 107 -4.529 12.012 -0.078 1.00 1.31 H new ATOM 0 HD21 LEU B 107 -2.062 10.831 1.455 1.00 71.41 H new ATOM 0 HD22 LEU B 107 -2.555 10.144 -0.111 1.00 71.41 H new ATOM 0 HD23 LEU B 107 -0.894 10.744 0.115 1.00 71.41 H new ATOM 1282 N HIS B 108 -0.683 10.453 -2.963 1.00 53.31 N ATOM 1283 CA HIS B 108 0.345 9.405 -2.959 1.00 11.32 C ATOM 1284 C HIS B 108 0.597 8.925 -1.529 1.00 34.02 C ATOM 1285 O HIS B 108 1.140 9.672 -0.713 1.00 50.40 O ATOM 1286 CB HIS B 108 1.661 9.938 -3.589 1.00 23.02 C ATOM 1287 CG HIS B 108 1.548 10.227 -5.066 1.00 24.44 C ATOM 1288 ND1 HIS B 108 2.592 10.704 -5.828 1.00 63.21 N ATOM 1289 CD2 HIS B 108 0.506 10.080 -5.918 1.00 33.42 C ATOM 1290 CE1 HIS B 108 2.195 10.838 -7.077 1.00 35.43 C ATOM 1291 NE2 HIS B 108 0.933 10.466 -7.162 1.00 64.41 N ATOM 0 H HIS B 108 -0.303 11.391 -3.088 1.00 53.31 H new ATOM 0 HA HIS B 108 -0.008 8.564 -3.555 1.00 11.32 H new ATOM 0 HB2 HIS B 108 1.960 10.849 -3.070 1.00 23.02 H new ATOM 0 HB3 HIS B 108 2.453 9.206 -3.430 1.00 23.02 H new ATOM 0 HD1 HIS B 108 3.526 10.920 -5.480 1.00 63.21 H new ATOM 0 HD2 HIS B 108 -0.481 9.724 -5.664 1.00 33.42 H new ATOM 0 HE1 HIS B 108 2.803 11.194 -7.896 1.00 35.43 H new ATOM 1300 N ILE B 109 0.152 7.698 -1.227 1.00 53.20 N ATOM 1301 CA ILE B 109 0.376 7.068 0.086 1.00 13.31 C ATOM 1302 C ILE B 109 1.805 6.489 0.147 1.00 70.02 C ATOM 1303 O ILE B 109 2.480 6.365 -0.883 1.00 43.14 O ATOM 1304 CB ILE B 109 -0.698 5.953 0.380 1.00 14.33 C ATOM 1305 CG1 ILE B 109 -0.482 4.706 -0.529 1.00 3.42 C ATOM 1306 CG2 ILE B 109 -2.132 6.525 0.210 1.00 60.22 C ATOM 1307 CD1 ILE B 109 -1.504 3.604 -0.357 1.00 65.23 C ATOM 0 H ILE B 109 -0.371 7.115 -1.880 1.00 53.20 H new ATOM 0 HA ILE B 109 0.269 7.829 0.859 1.00 13.31 H new ATOM 0 HB ILE B 109 -0.577 5.629 1.414 1.00 14.33 H new ATOM 0 HG12 ILE B 109 -0.490 5.029 -1.570 1.00 3.42 H new ATOM 0 HG13 ILE B 109 0.508 4.297 -0.329 1.00 3.42 H new ATOM 0 HG21 ILE B 109 -2.863 5.743 0.416 1.00 60.22 H new ATOM 0 HG22 ILE B 109 -2.279 7.351 0.905 1.00 60.22 H new ATOM 0 HG23 ILE B 109 -2.262 6.883 -0.811 1.00 60.22 H new ATOM 0 HD11 ILE B 109 -1.269 2.781 -1.032 1.00 65.23 H new ATOM 0 HD12 ILE B 109 -1.484 3.246 0.672 1.00 65.23 H new ATOM 0 HD13 ILE B 109 -2.497 3.990 -0.588 1.00 65.23 H new ATOM 1319 N VAL B 110 2.244 6.112 1.354 1.00 34.30 N ATOM 1320 CA VAL B 110 3.647 5.746 1.634 1.00 61.51 C ATOM 1321 C VAL B 110 3.774 4.290 2.111 1.00 51.32 C ATOM 1322 O VAL B 110 3.107 3.865 3.064 1.00 54.22 O ATOM 1323 CB VAL B 110 4.294 6.752 2.668 1.00 70.13 C ATOM 1324 CG1 VAL B 110 4.854 7.975 1.937 1.00 30.15 C ATOM 1325 CG2 VAL B 110 3.270 7.204 3.751 1.00 51.14 C ATOM 0 H VAL B 110 1.637 6.050 2.171 1.00 34.30 H new ATOM 0 HA VAL B 110 4.201 5.822 0.698 1.00 61.51 H new ATOM 0 HB VAL B 110 5.105 6.228 3.173 1.00 70.13 H new ATOM 0 HG11 VAL B 110 5.297 8.660 2.660 1.00 30.15 H new ATOM 0 HG12 VAL B 110 5.616 7.656 1.226 1.00 30.15 H new ATOM 0 HG13 VAL B 110 4.049 8.481 1.404 1.00 30.15 H new ATOM 0 HG21 VAL B 110 3.753 7.894 4.443 1.00 51.14 H new ATOM 0 HG22 VAL B 110 2.428 7.702 3.270 1.00 51.14 H new ATOM 0 HG23 VAL B 110 2.912 6.333 4.299 1.00 51.14 H new ATOM 1335 N VAL B 111 4.653 3.542 1.417 1.00 1.34 N ATOM 1336 CA VAL B 111 4.888 2.100 1.636 1.00 1.32 C ATOM 1337 C VAL B 111 6.413 1.818 1.711 1.00 33.22 C ATOM 1338 O VAL B 111 7.218 2.589 1.178 1.00 21.45 O ATOM 1339 CB VAL B 111 4.247 1.230 0.474 1.00 54.33 C ATOM 1340 CG1 VAL B 111 2.736 1.533 0.289 1.00 2.33 C ATOM 1341 CG2 VAL B 111 5.011 1.402 -0.867 1.00 63.32 C ATOM 0 H VAL B 111 5.232 3.931 0.673 1.00 1.34 H new ATOM 0 HA VAL B 111 4.414 1.822 2.577 1.00 1.32 H new ATOM 0 HB VAL B 111 4.342 0.188 0.780 1.00 54.33 H new ATOM 0 HG11 VAL B 111 2.337 0.916 -0.516 1.00 2.33 H new ATOM 0 HG12 VAL B 111 2.204 1.310 1.214 1.00 2.33 H new ATOM 0 HG13 VAL B 111 2.604 2.586 0.039 1.00 2.33 H new ATOM 0 HG21 VAL B 111 4.540 0.789 -1.636 1.00 63.32 H new ATOM 0 HG22 VAL B 111 4.983 2.449 -1.170 1.00 63.32 H new ATOM 0 HG23 VAL B 111 6.047 1.089 -0.738 1.00 63.32 H new ATOM 1351 N GLY B 112 6.798 0.730 2.384 1.00 12.43 N ATOM 1352 CA GLY B 112 8.187 0.245 2.364 1.00 23.20 C ATOM 1353 C GLY B 112 8.313 -1.072 3.090 1.00 62.13 C ATOM 1354 O GLY B 112 7.329 -1.802 3.183 1.00 74.40 O ATOM 0 H GLY B 112 6.167 0.165 2.952 1.00 12.43 H new ATOM 0 HA2 GLY B 112 8.520 0.129 1.333 1.00 23.20 H new ATOM 0 HA3 GLY B 112 8.840 0.984 2.828 1.00 23.20 H new ATOM 1358 N GLY B 113 9.508 -1.401 3.595 1.00 71.31 N ATOM 1359 CA GLY B 113 9.663 -2.576 4.450 1.00 35.44 C ATOM 1360 C GLY B 113 10.958 -3.326 4.228 1.00 1.44 C ATOM 1361 O GLY B 113 11.870 -2.824 3.557 1.00 10.22 O ATOM 0 H GLY B 113 10.367 -0.877 3.428 1.00 71.31 H new ATOM 0 HA2 GLY B 113 9.609 -2.264 5.493 1.00 35.44 H new ATOM 0 HA3 GLY B 113 8.827 -3.253 4.276 1.00 35.44 H new ATOM 1365 N GLU B 114 11.001 -4.557 4.770 1.00 71.45 N ATOM 1366 CA GLU B 114 12.208 -5.394 4.836 1.00 12.12 C ATOM 1367 C GLU B 114 12.488 -6.008 3.471 1.00 54.13 C ATOM 1368 O GLU B 114 11.715 -6.834 2.973 1.00 50.44 O ATOM 1369 CB GLU B 114 12.032 -6.481 5.947 1.00 41.35 C ATOM 1370 CG GLU B 114 12.063 -5.873 7.370 1.00 14.40 C ATOM 1371 CD GLU B 114 11.476 -6.760 8.482 1.00 4.04 C ATOM 1372 OE1 GLU B 114 10.249 -6.726 8.691 1.00 71.22 O ATOM 1373 OE2 GLU B 114 12.242 -7.461 9.171 1.00 61.15 O ATOM 0 H GLU B 114 10.181 -5.004 5.181 1.00 71.45 H new ATOM 0 HA GLU B 114 13.072 -4.785 5.102 1.00 12.12 H new ATOM 0 HB2 GLU B 114 11.086 -7.002 5.797 1.00 41.35 H new ATOM 0 HB3 GLU B 114 12.824 -7.225 5.854 1.00 41.35 H new ATOM 0 HG2 GLU B 114 13.097 -5.639 7.624 1.00 14.40 H new ATOM 0 HG3 GLU B 114 11.517 -4.930 7.355 1.00 14.40 H new ATOM 1380 N LEU B 115 13.577 -5.536 2.857 1.00 21.43 N ATOM 1381 CA LEU B 115 14.018 -5.958 1.523 1.00 74.22 C ATOM 1382 C LEU B 115 15.101 -7.036 1.634 1.00 32.32 C ATOM 1383 O LEU B 115 15.553 -7.379 2.737 1.00 32.51 O ATOM 1384 CB LEU B 115 14.545 -4.726 0.739 1.00 13.55 C ATOM 1385 CG LEU B 115 13.552 -3.529 0.603 1.00 1.23 C ATOM 1386 CD1 LEU B 115 14.054 -2.492 -0.398 1.00 30.33 C ATOM 1387 CD2 LEU B 115 12.138 -3.994 0.234 1.00 62.24 C ATOM 0 H LEU B 115 14.188 -4.837 3.280 1.00 21.43 H new ATOM 0 HA LEU B 115 13.173 -6.386 0.983 1.00 74.22 H new ATOM 0 HB2 LEU B 115 15.451 -4.368 1.229 1.00 13.55 H new ATOM 0 HB3 LEU B 115 14.831 -5.051 -0.261 1.00 13.55 H new ATOM 0 HG LEU B 115 13.500 -3.056 1.584 1.00 1.23 H new ATOM 0 HD11 LEU B 115 13.336 -1.674 -0.466 1.00 30.33 H new ATOM 0 HD12 LEU B 115 15.017 -2.103 -0.067 1.00 30.33 H new ATOM 0 HD13 LEU B 115 14.168 -2.957 -1.377 1.00 30.33 H new ATOM 0 HD21 LEU B 115 11.481 -3.129 0.150 1.00 62.24 H new ATOM 0 HD22 LEU B 115 12.166 -4.522 -0.719 1.00 62.24 H new ATOM 0 HD23 LEU B 115 11.761 -4.662 1.008 1.00 62.24 H new ATOM 1399 N LYS B 116 15.480 -7.599 0.488 1.00 43.10 N ATOM 1400 CA LYS B 116 16.572 -8.585 0.405 1.00 2.01 C ATOM 1401 C LYS B 116 17.934 -7.875 0.478 1.00 40.14 C ATOM 1402 O LYS B 116 18.916 -8.438 0.977 1.00 24.11 O ATOM 1403 CB LYS B 116 16.468 -9.390 -0.912 1.00 33.00 C ATOM 1404 CG LYS B 116 15.169 -10.203 -1.058 1.00 34.11 C ATOM 1405 CD LYS B 116 15.116 -10.991 -2.383 1.00 0.55 C ATOM 1406 CE LYS B 116 13.828 -11.807 -2.515 1.00 50.41 C ATOM 1407 NZ LYS B 116 13.667 -12.793 -1.411 1.00 51.25 N ATOM 0 H LYS B 116 15.044 -7.390 -0.410 1.00 43.10 H new ATOM 0 HA LYS B 116 16.485 -9.272 1.247 1.00 2.01 H new ATOM 0 HB2 LYS B 116 16.547 -8.701 -1.753 1.00 33.00 H new ATOM 0 HB3 LYS B 116 17.317 -10.070 -0.976 1.00 33.00 H new ATOM 0 HG2 LYS B 116 15.082 -10.897 -0.222 1.00 34.11 H new ATOM 0 HG3 LYS B 116 14.314 -9.529 -1.004 1.00 34.11 H new ATOM 0 HD2 LYS B 116 15.193 -10.297 -3.220 1.00 0.55 H new ATOM 0 HD3 LYS B 116 15.976 -11.659 -2.442 1.00 0.55 H new ATOM 0 HE2 LYS B 116 12.972 -11.132 -2.524 1.00 50.41 H new ATOM 0 HE3 LYS B 116 13.830 -12.332 -3.470 1.00 50.41 H new ATOM 0 HZ1 LYS B 116 12.888 -13.444 -1.638 1.00 51.25 H new ATOM 0 HZ2 LYS B 116 14.548 -13.334 -1.297 1.00 51.25 H new ATOM 0 HZ3 LYS B 116 13.452 -12.291 -0.526 1.00 51.25 H new ATOM 1421 N ASP B 117 17.958 -6.624 -0.006 1.00 31.22 N ATOM 1422 CA ASP B 117 19.187 -5.832 -0.149 1.00 31.00 C ATOM 1423 C ASP B 117 18.890 -4.352 0.164 1.00 4.43 C ATOM 1424 O ASP B 117 17.725 -3.941 0.211 1.00 25.43 O ATOM 1425 CB ASP B 117 19.751 -6.007 -1.591 1.00 65.42 C ATOM 1426 CG ASP B 117 21.137 -5.370 -1.788 1.00 44.14 C ATOM 1427 OD1 ASP B 117 22.142 -5.985 -1.384 1.00 31.33 O ATOM 1428 OD2 ASP B 117 21.225 -4.242 -2.312 1.00 63.44 O ATOM 0 H ASP B 117 17.119 -6.131 -0.311 1.00 31.22 H new ATOM 0 HA ASP B 117 19.941 -6.181 0.557 1.00 31.00 H new ATOM 0 HB2 ASP B 117 19.812 -7.070 -1.822 1.00 65.42 H new ATOM 0 HB3 ASP B 117 19.053 -5.566 -2.302 1.00 65.42 H new ATOM 1433 N VAL B 118 19.955 -3.572 0.383 1.00 31.52 N ATOM 1434 CA VAL B 118 19.873 -2.141 0.703 1.00 41.22 C ATOM 1435 C VAL B 118 19.429 -1.298 -0.520 1.00 75.12 C ATOM 1436 O VAL B 118 18.593 -0.400 -0.395 1.00 10.31 O ATOM 1437 CB VAL B 118 21.252 -1.625 1.259 1.00 33.13 C ATOM 1438 CG1 VAL B 118 21.556 -2.254 2.639 1.00 73.41 C ATOM 1439 CG2 VAL B 118 22.415 -1.895 0.269 1.00 15.33 C ATOM 0 H VAL B 118 20.912 -3.922 0.342 1.00 31.52 H new ATOM 0 HA VAL B 118 19.112 -2.020 1.474 1.00 41.22 H new ATOM 0 HB VAL B 118 21.169 -0.545 1.377 1.00 33.13 H new ATOM 0 HG11 VAL B 118 22.514 -1.884 3.005 1.00 73.41 H new ATOM 0 HG12 VAL B 118 20.769 -1.983 3.343 1.00 73.41 H new ATOM 0 HG13 VAL B 118 21.599 -3.339 2.543 1.00 73.41 H new ATOM 0 HG21 VAL B 118 23.348 -1.523 0.693 1.00 15.33 H new ATOM 0 HG22 VAL B 118 22.500 -2.967 0.091 1.00 15.33 H new ATOM 0 HG23 VAL B 118 22.216 -1.385 -0.674 1.00 15.33 H new ATOM 1449 N ALA B 119 20.008 -1.598 -1.685 1.00 73.40 N ATOM 1450 CA ALA B 119 19.706 -0.902 -2.947 1.00 75.31 C ATOM 1451 C ALA B 119 18.621 -1.655 -3.733 1.00 51.35 C ATOM 1452 O ALA B 119 17.865 -1.051 -4.503 1.00 62.21 O ATOM 1453 CB ALA B 119 20.988 -0.768 -3.782 1.00 24.01 C ATOM 0 H ALA B 119 20.705 -2.336 -1.784 1.00 73.40 H new ATOM 0 HA ALA B 119 19.326 0.094 -2.722 1.00 75.31 H new ATOM 0 HB1 ALA B 119 20.762 -0.253 -4.715 1.00 24.01 H new ATOM 0 HB2 ALA B 119 21.729 -0.197 -3.222 1.00 24.01 H new ATOM 0 HB3 ALA B 119 21.384 -1.759 -4.002 1.00 24.01 H new ATOM 1459 N GLY B 120 18.570 -2.987 -3.520 1.00 14.25 N ATOM 1460 CA GLY B 120 17.639 -3.872 -4.226 1.00 11.15 C ATOM 1461 C GLY B 120 16.233 -3.810 -3.647 1.00 2.40 C ATOM 1462 O GLY B 120 16.022 -4.231 -2.506 1.00 60.14 O ATOM 0 H GLY B 120 19.173 -3.471 -2.855 1.00 14.25 H new ATOM 0 HA2 GLY B 120 17.608 -3.597 -5.280 1.00 11.15 H new ATOM 0 HA3 GLY B 120 18.006 -4.897 -4.175 1.00 11.15 H new ATOM 1466 N VAL B 121 15.262 -3.330 -4.463 1.00 1.34 N ATOM 1467 CA VAL B 121 13.857 -3.070 -4.034 1.00 25.33 C ATOM 1468 C VAL B 121 12.981 -4.358 -4.152 1.00 44.23 C ATOM 1469 O VAL B 121 11.774 -4.321 -4.426 1.00 70.42 O ATOM 1470 CB VAL B 121 13.242 -1.846 -4.851 1.00 41.30 C ATOM 1471 CG1 VAL B 121 11.902 -1.350 -4.241 1.00 74.25 C ATOM 1472 CG2 VAL B 121 14.251 -0.669 -4.929 1.00 22.10 C ATOM 0 H VAL B 121 15.429 -3.110 -5.445 1.00 1.34 H new ATOM 0 HA VAL B 121 13.863 -2.791 -2.980 1.00 25.33 H new ATOM 0 HB VAL B 121 13.038 -2.211 -5.858 1.00 41.30 H new ATOM 0 HG11 VAL B 121 11.521 -0.516 -4.830 1.00 74.25 H new ATOM 0 HG12 VAL B 121 11.175 -2.163 -4.250 1.00 74.25 H new ATOM 0 HG13 VAL B 121 12.068 -1.023 -3.215 1.00 74.25 H new ATOM 0 HG21 VAL B 121 13.808 0.153 -5.491 1.00 22.10 H new ATOM 0 HG22 VAL B 121 14.494 -0.331 -3.922 1.00 22.10 H new ATOM 0 HG23 VAL B 121 15.160 -1.002 -5.429 1.00 22.10 H new ATOM 1482 N GLU B 122 13.609 -5.512 -3.905 1.00 33.21 N ATOM 1483 CA GLU B 122 12.935 -6.816 -3.852 1.00 22.31 C ATOM 1484 C GLU B 122 12.520 -7.097 -2.398 1.00 15.43 C ATOM 1485 O GLU B 122 13.387 -7.251 -1.530 1.00 3.14 O ATOM 1486 CB GLU B 122 13.890 -7.929 -4.372 1.00 65.43 C ATOM 1487 CG GLU B 122 14.158 -7.928 -5.899 1.00 22.32 C ATOM 1488 CD GLU B 122 14.783 -6.633 -6.447 1.00 31.33 C ATOM 1489 OE1 GLU B 122 15.911 -6.294 -6.033 1.00 43.01 O ATOM 1490 OE2 GLU B 122 14.158 -5.953 -7.293 1.00 1.12 O ATOM 0 H GLU B 122 14.613 -5.569 -3.734 1.00 33.21 H new ATOM 0 HA GLU B 122 12.049 -6.805 -4.487 1.00 22.31 H new ATOM 0 HB2 GLU B 122 14.845 -7.834 -3.854 1.00 65.43 H new ATOM 0 HB3 GLU B 122 13.473 -8.898 -4.096 1.00 65.43 H new ATOM 0 HG2 GLU B 122 14.818 -8.762 -6.138 1.00 22.32 H new ATOM 0 HG3 GLU B 122 13.217 -8.108 -6.418 1.00 22.32 H new ATOM 1497 N PHE B 123 11.200 -7.132 -2.141 1.00 73.13 N ATOM 1498 CA PHE B 123 10.641 -7.412 -0.806 1.00 20.24 C ATOM 1499 C PHE B 123 11.097 -8.809 -0.318 1.00 52.03 C ATOM 1500 O PHE B 123 10.866 -9.816 -1.001 1.00 15.12 O ATOM 1501 CB PHE B 123 9.085 -7.324 -0.842 1.00 12.41 C ATOM 1502 CG PHE B 123 8.523 -6.008 -1.414 1.00 14.24 C ATOM 1503 CD1 PHE B 123 9.057 -4.768 -1.048 1.00 62.33 C ATOM 1504 CD2 PHE B 123 7.436 -6.012 -2.297 1.00 34.22 C ATOM 1505 CE1 PHE B 123 8.527 -3.585 -1.542 1.00 53.41 C ATOM 1506 CE2 PHE B 123 6.910 -4.828 -2.795 1.00 63.43 C ATOM 1507 CZ PHE B 123 7.455 -3.617 -2.415 1.00 63.34 C ATOM 0 H PHE B 123 10.490 -6.967 -2.854 1.00 73.13 H new ATOM 0 HA PHE B 123 11.011 -6.663 -0.106 1.00 20.24 H new ATOM 0 HB2 PHE B 123 8.702 -8.154 -1.436 1.00 12.41 H new ATOM 0 HB3 PHE B 123 8.705 -7.455 0.171 1.00 12.41 H new ATOM 0 HD1 PHE B 123 9.896 -4.731 -0.369 1.00 62.33 H new ATOM 0 HD2 PHE B 123 6.999 -6.953 -2.596 1.00 34.22 H new ATOM 0 HE1 PHE B 123 8.952 -2.638 -1.244 1.00 53.41 H new ATOM 0 HE2 PHE B 123 6.075 -4.854 -3.479 1.00 63.43 H new ATOM 0 HZ PHE B 123 7.044 -2.695 -2.800 1.00 63.34 H new ATOM 1517 N ARG B 124 11.779 -8.833 0.847 1.00 15.44 N ATOM 1518 CA ARG B 124 12.298 -10.072 1.483 1.00 33.00 C ATOM 1519 C ARG B 124 11.158 -11.010 1.864 1.00 30.52 C ATOM 1520 O ARG B 124 11.315 -12.233 1.831 1.00 44.00 O ATOM 1521 CB ARG B 124 13.151 -9.728 2.734 1.00 63.23 C ATOM 1522 CG ARG B 124 13.766 -10.934 3.484 1.00 71.53 C ATOM 1523 CD ARG B 124 14.811 -10.512 4.526 1.00 31.02 C ATOM 1524 NE ARG B 124 14.245 -9.717 5.633 1.00 45.23 N ATOM 1525 CZ ARG B 124 14.762 -9.654 6.874 1.00 54.51 C ATOM 1526 NH1 ARG B 124 15.862 -10.329 7.203 1.00 43.11 N ATOM 1527 NH2 ARG B 124 14.192 -8.902 7.795 1.00 43.42 N ATOM 0 H ARG B 124 11.989 -7.989 1.380 1.00 15.44 H new ATOM 0 HA ARG B 124 12.932 -10.581 0.757 1.00 33.00 H new ATOM 0 HB2 ARG B 124 13.960 -9.065 2.427 1.00 63.23 H new ATOM 0 HB3 ARG B 124 12.528 -9.170 3.433 1.00 63.23 H new ATOM 0 HG2 ARG B 124 12.971 -11.493 3.978 1.00 71.53 H new ATOM 0 HG3 ARG B 124 14.229 -11.608 2.763 1.00 71.53 H new ATOM 0 HD2 ARG B 124 15.287 -11.404 4.935 1.00 31.02 H new ATOM 0 HD3 ARG B 124 15.591 -9.932 4.033 1.00 31.02 H new ATOM 0 HE ARG B 124 13.401 -9.176 5.444 1.00 45.23 H new ATOM 0 HH11 ARG B 124 16.331 -10.909 6.508 1.00 43.11 H new ATOM 0 HH12 ARG B 124 16.235 -10.266 8.150 1.00 43.11 H new ATOM 0 HH21 ARG B 124 13.355 -8.365 7.568 1.00 43.42 H new ATOM 0 HH22 ARG B 124 14.588 -8.858 8.734 1.00 43.42 H new ATOM 1541 N ASP B 125 10.017 -10.415 2.217 1.00 24.24 N ATOM 1542 CA ASP B 125 8.803 -11.147 2.542 1.00 43.04 C ATOM 1543 C ASP B 125 7.609 -10.186 2.458 1.00 14.14 C ATOM 1544 O ASP B 125 7.685 -9.036 2.908 1.00 42.15 O ATOM 1545 CB ASP B 125 8.916 -11.807 3.938 1.00 50.34 C ATOM 1546 CG ASP B 125 7.657 -12.584 4.345 1.00 62.23 C ATOM 1547 OD1 ASP B 125 7.452 -13.712 3.847 1.00 10.43 O ATOM 1548 OD2 ASP B 125 6.862 -12.067 5.150 1.00 72.41 O ATOM 0 H ASP B 125 9.914 -9.402 2.284 1.00 24.24 H new ATOM 0 HA ASP B 125 8.654 -11.955 1.826 1.00 43.04 H new ATOM 0 HB2 ASP B 125 9.770 -12.484 3.944 1.00 50.34 H new ATOM 0 HB3 ASP B 125 9.115 -11.036 4.682 1.00 50.34 H new ATOM 1553 N LEU B 126 6.511 -10.684 1.875 1.00 62.11 N ATOM 1554 CA LEU B 126 5.312 -9.900 1.545 1.00 72.31 C ATOM 1555 C LEU B 126 4.375 -9.676 2.753 1.00 53.53 C ATOM 1556 O LEU B 126 3.290 -9.102 2.606 1.00 54.43 O ATOM 1557 CB LEU B 126 4.572 -10.601 0.377 1.00 2.42 C ATOM 1558 CG LEU B 126 5.316 -10.620 -1.004 1.00 33.41 C ATOM 1559 CD1 LEU B 126 5.809 -9.214 -1.401 1.00 13.03 C ATOM 1560 CD2 LEU B 126 6.449 -11.674 -1.064 1.00 32.43 C ATOM 0 H LEU B 126 6.429 -11.666 1.613 1.00 62.11 H new ATOM 0 HA LEU B 126 5.630 -8.902 1.245 1.00 72.31 H new ATOM 0 HB2 LEU B 126 4.368 -11.631 0.670 1.00 2.42 H new ATOM 0 HB3 LEU B 126 3.608 -10.112 0.240 1.00 2.42 H new ATOM 0 HG LEU B 126 4.581 -10.930 -1.747 1.00 33.41 H new ATOM 0 HD11 LEU B 126 6.320 -9.266 -2.363 1.00 13.03 H new ATOM 0 HD12 LEU B 126 4.957 -8.538 -1.478 1.00 13.03 H new ATOM 0 HD13 LEU B 126 6.499 -8.843 -0.643 1.00 13.03 H new ATOM 0 HD21 LEU B 126 6.926 -11.640 -2.043 1.00 32.43 H new ATOM 0 HD22 LEU B 126 7.188 -11.458 -0.292 1.00 32.43 H new ATOM 0 HD23 LEU B 126 6.031 -12.667 -0.899 1.00 32.43 H new ATOM 1572 N SER B 127 4.799 -10.128 3.933 1.00 71.20 N ATOM 1573 CA SER B 127 4.159 -9.781 5.213 1.00 42.43 C ATOM 1574 C SER B 127 5.076 -8.820 6.006 1.00 43.24 C ATOM 1575 O SER B 127 4.610 -8.077 6.874 1.00 33.21 O ATOM 1576 CB SER B 127 3.878 -11.062 6.023 1.00 0.25 C ATOM 1577 OG SER B 127 3.130 -11.995 5.254 1.00 23.23 O ATOM 0 H SER B 127 5.601 -10.750 4.034 1.00 71.20 H new ATOM 0 HA SER B 127 3.209 -9.280 5.023 1.00 42.43 H new ATOM 0 HB2 SER B 127 4.820 -11.514 6.335 1.00 0.25 H new ATOM 0 HB3 SER B 127 3.329 -10.810 6.931 1.00 0.25 H new ATOM 0 HG SER B 127 2.965 -12.801 5.787 1.00 23.23 H new ATOM 1583 N LYS B 128 6.396 -8.850 5.683 1.00 52.52 N ATOM 1584 CA LYS B 128 7.425 -7.978 6.311 1.00 14.42 C ATOM 1585 C LYS B 128 7.543 -6.619 5.589 1.00 73.12 C ATOM 1586 O LYS B 128 8.417 -5.803 5.922 1.00 43.05 O ATOM 1587 CB LYS B 128 8.801 -8.704 6.341 1.00 13.13 C ATOM 1588 CG LYS B 128 8.803 -10.017 7.150 1.00 42.31 C ATOM 1589 CD LYS B 128 8.403 -9.834 8.631 1.00 41.21 C ATOM 1590 CE LYS B 128 8.346 -11.175 9.391 1.00 42.14 C ATOM 1591 NZ LYS B 128 9.659 -11.884 9.408 1.00 71.33 N ATOM 0 H LYS B 128 6.777 -9.481 4.978 1.00 52.52 H new ATOM 0 HA LYS B 128 7.109 -7.776 7.334 1.00 14.42 H new ATOM 0 HB2 LYS B 128 9.108 -8.920 5.318 1.00 13.13 H new ATOM 0 HB3 LYS B 128 9.547 -8.029 6.762 1.00 13.13 H new ATOM 0 HG2 LYS B 128 8.117 -10.723 6.682 1.00 42.31 H new ATOM 0 HG3 LYS B 128 9.798 -10.461 7.104 1.00 42.31 H new ATOM 0 HD2 LYS B 128 9.118 -9.172 9.119 1.00 41.21 H new ATOM 0 HD3 LYS B 128 7.430 -9.347 8.685 1.00 41.21 H new ATOM 0 HE2 LYS B 128 8.023 -10.993 10.416 1.00 42.14 H new ATOM 0 HE3 LYS B 128 7.597 -11.818 8.929 1.00 42.14 H new ATOM 0 HZ1 LYS B 128 9.582 -12.744 9.988 1.00 71.33 H new ATOM 0 HZ2 LYS B 128 9.926 -12.144 8.437 1.00 71.33 H new ATOM 0 HZ3 LYS B 128 10.386 -11.259 9.811 1.00 71.33 H new ATOM 1605 N VAL B 129 6.669 -6.398 4.594 1.00 64.42 N ATOM 1606 CA VAL B 129 6.500 -5.095 3.933 1.00 2.13 C ATOM 1607 C VAL B 129 5.716 -4.139 4.892 1.00 15.32 C ATOM 1608 O VAL B 129 4.494 -4.232 5.029 1.00 51.55 O ATOM 1609 CB VAL B 129 5.801 -5.260 2.504 1.00 71.34 C ATOM 1610 CG1 VAL B 129 4.486 -6.070 2.587 1.00 71.21 C ATOM 1611 CG2 VAL B 129 5.565 -3.895 1.806 1.00 42.22 C ATOM 0 H VAL B 129 6.056 -7.124 4.223 1.00 64.42 H new ATOM 0 HA VAL B 129 7.474 -4.648 3.733 1.00 2.13 H new ATOM 0 HB VAL B 129 6.500 -5.828 1.890 1.00 71.34 H new ATOM 0 HG11 VAL B 129 4.048 -6.156 1.593 1.00 71.21 H new ATOM 0 HG12 VAL B 129 4.696 -7.066 2.978 1.00 71.21 H new ATOM 0 HG13 VAL B 129 3.786 -5.560 3.249 1.00 71.21 H new ATOM 0 HG21 VAL B 129 5.088 -4.058 0.839 1.00 42.22 H new ATOM 0 HG22 VAL B 129 4.920 -3.275 2.428 1.00 42.22 H new ATOM 0 HG23 VAL B 129 6.520 -3.391 1.659 1.00 42.22 H new ATOM 1621 N GLU B 130 6.462 -3.276 5.619 1.00 53.41 N ATOM 1622 CA GLU B 130 5.879 -2.303 6.566 1.00 42.21 C ATOM 1623 C GLU B 130 5.429 -1.057 5.794 1.00 0.34 C ATOM 1624 O GLU B 130 6.248 -0.259 5.324 1.00 62.41 O ATOM 1625 CB GLU B 130 6.871 -1.910 7.703 1.00 45.02 C ATOM 1626 CG GLU B 130 6.323 -0.807 8.643 1.00 51.24 C ATOM 1627 CD GLU B 130 7.214 -0.504 9.857 1.00 51.21 C ATOM 1628 OE1 GLU B 130 7.191 -1.280 10.840 1.00 1.01 O ATOM 1629 OE2 GLU B 130 7.931 0.515 9.846 1.00 55.13 O ATOM 0 H GLU B 130 7.480 -3.236 5.565 1.00 53.41 H new ATOM 0 HA GLU B 130 5.023 -2.775 7.048 1.00 42.21 H new ATOM 0 HB2 GLU B 130 7.106 -2.796 8.293 1.00 45.02 H new ATOM 0 HB3 GLU B 130 7.805 -1.567 7.258 1.00 45.02 H new ATOM 0 HG2 GLU B 130 6.190 0.109 8.068 1.00 51.24 H new ATOM 0 HG3 GLU B 130 5.337 -1.107 8.998 1.00 51.24 H new ATOM 1636 N PHE B 131 4.120 -0.934 5.637 1.00 11.42 N ATOM 1637 CA PHE B 131 3.485 0.236 5.047 1.00 21.23 C ATOM 1638 C PHE B 131 3.521 1.362 6.079 1.00 45.33 C ATOM 1639 O PHE B 131 3.047 1.182 7.209 1.00 43.44 O ATOM 1640 CB PHE B 131 2.035 -0.111 4.656 1.00 2.05 C ATOM 1641 CG PHE B 131 1.924 -1.338 3.752 1.00 14.32 C ATOM 1642 CD1 PHE B 131 1.795 -2.621 4.286 1.00 4.14 C ATOM 1643 CD2 PHE B 131 1.940 -1.207 2.374 1.00 52.13 C ATOM 1644 CE1 PHE B 131 1.689 -3.719 3.461 1.00 72.35 C ATOM 1645 CE2 PHE B 131 1.833 -2.304 1.553 1.00 15.12 C ATOM 1646 CZ PHE B 131 1.708 -3.559 2.093 1.00 61.10 C ATOM 0 H PHE B 131 3.458 -1.656 5.920 1.00 11.42 H new ATOM 0 HA PHE B 131 4.009 0.554 4.146 1.00 21.23 H new ATOM 0 HB2 PHE B 131 1.454 -0.284 5.562 1.00 2.05 H new ATOM 0 HB3 PHE B 131 1.589 0.745 4.150 1.00 2.05 H new ATOM 0 HD1 PHE B 131 1.778 -2.754 5.358 1.00 4.14 H new ATOM 0 HD2 PHE B 131 2.038 -0.225 1.936 1.00 52.13 H new ATOM 0 HE1 PHE B 131 1.591 -4.706 3.887 1.00 72.35 H new ATOM 0 HE2 PHE B 131 1.847 -2.178 0.480 1.00 15.12 H new ATOM 0 HZ PHE B 131 1.625 -4.420 1.447 1.00 61.10 H new ATOM 1656 N VAL B 132 4.132 2.489 5.693 1.00 2.13 N ATOM 1657 CA VAL B 132 4.287 3.663 6.563 1.00 2.10 C ATOM 1658 C VAL B 132 2.909 4.189 6.995 1.00 23.25 C ATOM 1659 O VAL B 132 2.668 4.460 8.175 1.00 43.12 O ATOM 1660 CB VAL B 132 5.083 4.800 5.833 1.00 72.30 C ATOM 1661 CG1 VAL B 132 5.274 6.054 6.730 1.00 54.30 C ATOM 1662 CG2 VAL B 132 6.429 4.265 5.307 1.00 71.54 C ATOM 0 H VAL B 132 4.535 2.613 4.764 1.00 2.13 H new ATOM 0 HA VAL B 132 4.849 3.358 7.446 1.00 2.10 H new ATOM 0 HB VAL B 132 4.488 5.123 4.979 1.00 72.30 H new ATOM 0 HG11 VAL B 132 5.831 6.813 6.180 1.00 54.30 H new ATOM 0 HG12 VAL B 132 4.299 6.452 7.012 1.00 54.30 H new ATOM 0 HG13 VAL B 132 5.827 5.778 7.628 1.00 54.30 H new ATOM 0 HG21 VAL B 132 6.968 5.068 4.803 1.00 71.54 H new ATOM 0 HG22 VAL B 132 7.025 3.896 6.142 1.00 71.54 H new ATOM 0 HG23 VAL B 132 6.248 3.453 4.603 1.00 71.54 H new ATOM 1672 N GLY B 133 2.023 4.310 5.998 1.00 3.40 N ATOM 1673 CA GLY B 133 0.651 4.749 6.191 1.00 51.43 C ATOM 1674 C GLY B 133 0.211 5.634 5.045 1.00 24.04 C ATOM 1675 O GLY B 133 0.504 5.333 3.874 1.00 54.23 O ATOM 0 H GLY B 133 2.250 4.101 5.026 1.00 3.40 H new ATOM 0 HA2 GLY B 133 -0.007 3.883 6.263 1.00 51.43 H new ATOM 0 HA3 GLY B 133 0.566 5.293 7.132 1.00 51.43 H new ATOM 1679 N ALA B 134 -0.493 6.713 5.378 1.00 63.40 N ATOM 1680 CA ALA B 134 -0.890 7.760 4.434 1.00 21.05 C ATOM 1681 C ALA B 134 -1.226 9.033 5.212 1.00 20.54 C ATOM 1682 O ALA B 134 -1.539 8.981 6.409 1.00 32.41 O ATOM 1683 CB ALA B 134 -2.083 7.310 3.588 1.00 21.14 C ATOM 0 H ALA B 134 -0.811 6.890 6.331 1.00 63.40 H new ATOM 0 HA ALA B 134 -0.063 7.960 3.752 1.00 21.05 H new ATOM 0 HB1 ALA B 134 -2.358 8.105 2.895 1.00 21.14 H new ATOM 0 HB2 ALA B 134 -1.814 6.416 3.026 1.00 21.14 H new ATOM 0 HB3 ALA B 134 -2.928 7.088 4.240 1.00 21.14 H new ATOM 1689 N TYR B 135 -1.170 10.175 4.523 1.00 45.13 N ATOM 1690 CA TYR B 135 -1.321 11.505 5.144 1.00 33.44 C ATOM 1691 C TYR B 135 -2.353 12.321 4.358 1.00 72.32 C ATOM 1692 O TYR B 135 -2.594 12.003 3.207 1.00 43.24 O ATOM 1693 CB TYR B 135 0.063 12.206 5.151 1.00 62.41 C ATOM 1694 CG TYR B 135 1.055 11.608 6.157 1.00 64.43 C ATOM 1695 CD1 TYR B 135 1.868 10.517 5.826 1.00 23.21 C ATOM 1696 CD2 TYR B 135 1.156 12.121 7.453 1.00 2.22 C ATOM 1697 CE1 TYR B 135 2.741 9.971 6.747 1.00 64.12 C ATOM 1698 CE2 TYR B 135 2.025 11.576 8.369 1.00 71.43 C ATOM 1699 CZ TYR B 135 2.816 10.503 8.016 1.00 61.53 C ATOM 1700 OH TYR B 135 3.683 9.960 8.939 1.00 31.44 O ATOM 0 H TYR B 135 -1.018 10.210 3.515 1.00 45.13 H new ATOM 0 HA TYR B 135 -1.676 11.413 6.171 1.00 33.44 H new ATOM 0 HB2 TYR B 135 0.494 12.148 4.152 1.00 62.41 H new ATOM 0 HB3 TYR B 135 -0.077 13.263 5.377 1.00 62.41 H new ATOM 0 HD1 TYR B 135 1.812 10.095 4.833 1.00 23.21 H new ATOM 0 HD2 TYR B 135 0.540 12.961 7.740 1.00 2.22 H new ATOM 0 HE1 TYR B 135 3.362 9.131 6.474 1.00 64.12 H new ATOM 0 HE2 TYR B 135 2.088 11.988 9.365 1.00 71.43 H new ATOM 0 HH TYR B 135 3.613 10.453 9.783 1.00 31.44 H new ATOM 1710 N PRO B 136 -2.978 13.396 4.947 1.00 43.12 N ATOM 1711 CA PRO B 136 -3.937 14.262 4.200 1.00 61.11 C ATOM 1712 C PRO B 136 -3.274 15.201 3.147 1.00 52.01 C ATOM 1713 O PRO B 136 -3.949 16.099 2.616 1.00 62.24 O ATOM 1714 CB PRO B 136 -4.624 15.070 5.332 1.00 1.22 C ATOM 1715 CG PRO B 136 -3.596 15.143 6.423 1.00 4.54 C ATOM 1716 CD PRO B 136 -2.858 13.818 6.376 1.00 23.31 C ATOM 0 HA PRO B 136 -4.621 13.668 3.593 1.00 61.11 H new ATOM 0 HB2 PRO B 136 -4.911 16.065 4.991 1.00 1.22 H new ATOM 0 HB3 PRO B 136 -5.533 14.576 5.676 1.00 1.22 H new ATOM 0 HG2 PRO B 136 -2.914 15.978 6.264 1.00 4.54 H new ATOM 0 HG3 PRO B 136 -4.066 15.296 7.395 1.00 4.54 H new ATOM 0 HD2 PRO B 136 -1.816 13.929 6.674 1.00 23.31 H new ATOM 0 HD3 PRO B 136 -3.306 13.086 7.049 1.00 23.31 H new ATOM 1724 N SER B 137 -1.970 14.972 2.830 1.00 74.04 N ATOM 1725 CA SER B 137 -1.216 15.735 1.806 1.00 64.44 C ATOM 1726 C SER B 137 -0.024 14.923 1.263 1.00 71.14 C ATOM 1727 O SER B 137 0.527 14.056 1.961 1.00 14.33 O ATOM 1728 CB SER B 137 -0.751 17.114 2.347 1.00 65.24 C ATOM 1729 OG SER B 137 -1.850 17.996 2.485 1.00 30.41 O ATOM 0 H SER B 137 -1.413 14.248 3.283 1.00 74.04 H new ATOM 0 HA SER B 137 -1.898 15.920 0.976 1.00 64.44 H new ATOM 0 HB2 SER B 137 -0.259 16.985 3.311 1.00 65.24 H new ATOM 0 HB3 SER B 137 -0.015 17.546 1.669 1.00 65.24 H new ATOM 0 HG SER B 137 -2.686 17.486 2.447 1.00 30.41 H new ATOM 1735 N TYR B 138 0.348 15.220 -0.008 1.00 75.32 N ATOM 1736 CA TYR B 138 1.472 14.567 -0.709 1.00 11.14 C ATOM 1737 C TYR B 138 2.814 14.903 -0.040 1.00 11.11 C ATOM 1738 O TYR B 138 3.646 14.024 0.110 1.00 45.34 O ATOM 1739 CB TYR B 138 1.504 14.974 -2.216 1.00 1.34 C ATOM 1740 CG TYR B 138 2.792 14.566 -2.971 1.00 53.32 C ATOM 1741 CD1 TYR B 138 3.127 13.223 -3.156 1.00 10.13 C ATOM 1742 CD2 TYR B 138 3.680 15.527 -3.478 1.00 35.24 C ATOM 1743 CE1 TYR B 138 4.289 12.853 -3.810 1.00 55.03 C ATOM 1744 CE2 TYR B 138 4.840 15.157 -4.135 1.00 23.32 C ATOM 1745 CZ TYR B 138 5.140 13.820 -4.294 1.00 24.02 C ATOM 1746 OH TYR B 138 6.294 13.448 -4.945 1.00 52.12 O ATOM 0 H TYR B 138 -0.128 15.923 -0.574 1.00 75.32 H new ATOM 0 HA TYR B 138 1.317 13.490 -0.644 1.00 11.14 H new ATOM 0 HB2 TYR B 138 0.647 14.524 -2.718 1.00 1.34 H new ATOM 0 HB3 TYR B 138 1.384 16.055 -2.289 1.00 1.34 H new ATOM 0 HD1 TYR B 138 2.465 12.457 -2.781 1.00 10.13 H new ATOM 0 HD2 TYR B 138 3.454 16.576 -3.353 1.00 35.24 H new ATOM 0 HE1 TYR B 138 4.527 11.808 -3.940 1.00 55.03 H new ATOM 0 HE2 TYR B 138 5.508 15.912 -4.522 1.00 23.32 H new ATOM 0 HH TYR B 138 6.784 14.249 -5.226 1.00 52.12 H new ATOM 1756 N ASP B 139 3.000 16.181 0.335 1.00 4.33 N ATOM 1757 CA ASP B 139 4.250 16.679 0.953 1.00 23.43 C ATOM 1758 C ASP B 139 4.494 16.028 2.324 1.00 53.11 C ATOM 1759 O ASP B 139 5.641 15.766 2.704 1.00 12.41 O ATOM 1760 CB ASP B 139 4.204 18.228 1.074 1.00 21.12 C ATOM 1761 CG ASP B 139 5.492 18.831 1.674 1.00 74.44 C ATOM 1762 OD1 ASP B 139 6.490 18.961 0.934 1.00 75.34 O ATOM 1763 OD2 ASP B 139 5.514 19.156 2.886 1.00 74.32 O ATOM 0 H ASP B 139 2.288 16.902 0.219 1.00 4.33 H new ATOM 0 HA ASP B 139 5.084 16.403 0.308 1.00 23.43 H new ATOM 0 HB2 ASP B 139 4.035 18.658 0.087 1.00 21.12 H new ATOM 0 HB3 ASP B 139 3.354 18.512 1.695 1.00 21.12 H new ATOM 1768 N GLU B 140 3.398 15.756 3.039 1.00 10.44 N ATOM 1769 CA GLU B 140 3.423 15.052 4.329 1.00 4.15 C ATOM 1770 C GLU B 140 3.885 13.598 4.152 1.00 42.52 C ATOM 1771 O GLU B 140 4.682 13.087 4.948 1.00 74.22 O ATOM 1772 CB GLU B 140 2.022 15.105 4.967 1.00 42.52 C ATOM 1773 CG GLU B 140 1.547 16.515 5.327 1.00 10.21 C ATOM 1774 CD GLU B 140 2.398 17.172 6.429 1.00 5.42 C ATOM 1775 OE1 GLU B 140 2.205 16.820 7.614 1.00 20.15 O ATOM 1776 OE2 GLU B 140 3.258 18.028 6.125 1.00 2.21 O ATOM 0 H GLU B 140 2.460 16.020 2.738 1.00 10.44 H new ATOM 0 HA GLU B 140 4.136 15.546 4.989 1.00 4.15 H new ATOM 0 HB2 GLU B 140 1.305 14.657 4.279 1.00 42.52 H new ATOM 0 HB3 GLU B 140 2.023 14.493 5.869 1.00 42.52 H new ATOM 0 HG2 GLU B 140 1.572 17.140 4.434 1.00 10.21 H new ATOM 0 HG3 GLU B 140 0.509 16.470 5.655 1.00 10.21 H new ATOM 1783 N ALA B 141 3.390 12.953 3.080 1.00 23.23 N ATOM 1784 CA ALA B 141 3.791 11.599 2.706 1.00 54.43 C ATOM 1785 C ALA B 141 5.254 11.595 2.207 1.00 61.11 C ATOM 1786 O ALA B 141 6.054 10.726 2.561 1.00 41.30 O ATOM 1787 CB ALA B 141 2.817 11.098 1.636 1.00 63.14 C ATOM 0 H ALA B 141 2.699 13.364 2.452 1.00 23.23 H new ATOM 0 HA ALA B 141 3.751 10.929 3.565 1.00 54.43 H new ATOM 0 HB1 ALA B 141 3.093 10.087 1.337 1.00 63.14 H new ATOM 0 HB2 ALA B 141 1.804 11.093 2.039 1.00 63.14 H new ATOM 0 HB3 ALA B 141 2.859 11.757 0.769 1.00 63.14 H new ATOM 1793 N HIS B 142 5.596 12.653 1.464 1.00 3.24 N ATOM 1794 CA HIS B 142 6.901 12.829 0.810 1.00 54.43 C ATOM 1795 C HIS B 142 8.002 13.037 1.859 1.00 63.04 C ATOM 1796 O HIS B 142 9.156 12.694 1.633 1.00 1.11 O ATOM 1797 CB HIS B 142 6.813 14.037 -0.166 1.00 54.40 C ATOM 1798 CG HIS B 142 8.011 14.279 -1.040 1.00 45.45 C ATOM 1799 ND1 HIS B 142 8.263 15.498 -1.618 1.00 2.33 N ATOM 1800 CD2 HIS B 142 8.967 13.450 -1.504 1.00 52.41 C ATOM 1801 CE1 HIS B 142 9.305 15.408 -2.407 1.00 30.32 C ATOM 1802 NE2 HIS B 142 9.755 14.176 -2.360 1.00 32.53 N ATOM 0 H HIS B 142 4.958 13.431 1.295 1.00 3.24 H new ATOM 0 HA HIS B 142 7.157 11.933 0.244 1.00 54.43 H new ATOM 0 HB2 HIS B 142 5.944 13.894 -0.809 1.00 54.40 H new ATOM 0 HB3 HIS B 142 6.631 14.937 0.421 1.00 54.40 H new ATOM 0 HD1 HIS B 142 7.720 16.347 -1.457 1.00 2.33 H new ATOM 0 HD2 HIS B 142 9.090 12.408 -1.249 1.00 52.41 H new ATOM 0 HE1 HIS B 142 9.723 16.211 -2.996 1.00 30.32 H new ATOM 1811 N LYS B 143 7.616 13.597 3.008 1.00 22.33 N ATOM 1812 CA LYS B 143 8.520 13.817 4.144 1.00 75.22 C ATOM 1813 C LYS B 143 8.676 12.520 4.961 1.00 74.45 C ATOM 1814 O LYS B 143 9.771 12.221 5.463 1.00 0.04 O ATOM 1815 CB LYS B 143 7.970 14.966 5.029 1.00 32.42 C ATOM 1816 CG LYS B 143 8.944 15.470 6.122 1.00 43.42 C ATOM 1817 CD LYS B 143 10.284 15.998 5.546 1.00 21.55 C ATOM 1818 CE LYS B 143 10.106 17.190 4.578 1.00 63.55 C ATOM 1819 NZ LYS B 143 9.354 18.323 5.187 1.00 40.35 N ATOM 0 H LYS B 143 6.662 13.913 3.179 1.00 22.33 H new ATOM 0 HA LYS B 143 9.505 14.101 3.773 1.00 75.22 H new ATOM 0 HB2 LYS B 143 7.703 15.805 4.386 1.00 32.42 H new ATOM 0 HB3 LYS B 143 7.052 14.628 5.509 1.00 32.42 H new ATOM 0 HG2 LYS B 143 8.462 16.265 6.691 1.00 43.42 H new ATOM 0 HG3 LYS B 143 9.150 14.658 6.819 1.00 43.42 H new ATOM 0 HD2 LYS B 143 10.931 16.301 6.369 1.00 21.55 H new ATOM 0 HD3 LYS B 143 10.791 15.187 5.023 1.00 21.55 H new ATOM 0 HE2 LYS B 143 11.087 17.542 4.258 1.00 63.55 H new ATOM 0 HE3 LYS B 143 9.582 16.851 3.684 1.00 63.55 H new ATOM 0 HZ1 LYS B 143 9.309 19.113 4.512 1.00 40.35 H new ATOM 0 HZ2 LYS B 143 8.390 18.013 5.422 1.00 40.35 H new ATOM 0 HZ3 LYS B 143 9.838 18.635 6.053 1.00 40.35 H new ATOM 1833 N ALA B 144 7.564 11.755 5.057 1.00 63.35 N ATOM 1834 CA ALA B 144 7.498 10.494 5.817 1.00 74.22 C ATOM 1835 C ALA B 144 8.481 9.441 5.275 1.00 70.24 C ATOM 1836 O ALA B 144 8.987 8.630 6.040 1.00 44.51 O ATOM 1837 CB ALA B 144 6.076 9.942 5.794 1.00 32.02 C ATOM 0 H ALA B 144 6.684 12.001 4.605 1.00 63.35 H new ATOM 0 HA ALA B 144 7.787 10.716 6.844 1.00 74.22 H new ATOM 0 HB1 ALA B 144 6.038 9.010 6.358 1.00 32.02 H new ATOM 0 HB2 ALA B 144 5.397 10.666 6.244 1.00 32.02 H new ATOM 0 HB3 ALA B 144 5.775 9.754 4.763 1.00 32.02 H new ATOM 1843 N TRP B 145 8.732 9.495 3.951 1.00 3.21 N ATOM 1844 CA TRP B 145 9.700 8.634 3.242 1.00 15.02 C ATOM 1845 C TRP B 145 11.082 8.634 3.970 1.00 12.51 C ATOM 1846 O TRP B 145 11.587 7.579 4.369 1.00 12.42 O ATOM 1847 CB TRP B 145 9.800 9.119 1.733 1.00 63.51 C ATOM 1848 CG TRP B 145 11.198 9.085 1.132 1.00 53.21 C ATOM 1849 CD1 TRP B 145 11.867 8.003 0.632 1.00 32.54 C ATOM 1850 CD2 TRP B 145 12.092 10.208 0.988 1.00 2.51 C ATOM 1851 NE1 TRP B 145 13.122 8.377 0.216 1.00 53.22 N ATOM 1852 CE2 TRP B 145 13.285 9.722 0.424 1.00 3.41 C ATOM 1853 CE3 TRP B 145 11.998 11.577 1.290 1.00 35.32 C ATOM 1854 CZ2 TRP B 145 14.373 10.549 0.162 1.00 11.32 C ATOM 1855 CZ3 TRP B 145 13.078 12.393 1.031 1.00 22.52 C ATOM 1856 CH2 TRP B 145 14.250 11.878 0.473 1.00 31.30 C ATOM 0 H TRP B 145 8.257 10.152 3.332 1.00 3.21 H new ATOM 0 HA TRP B 145 9.359 7.599 3.247 1.00 15.02 H new ATOM 0 HB2 TRP B 145 9.145 8.496 1.124 1.00 63.51 H new ATOM 0 HB3 TRP B 145 9.420 10.139 1.670 1.00 63.51 H new ATOM 0 HD1 TRP B 145 11.468 7.001 0.573 1.00 32.54 H new ATOM 0 HE1 TRP B 145 13.822 7.752 -0.184 1.00 53.22 H new ATOM 0 HE3 TRP B 145 11.094 11.983 1.718 1.00 35.32 H new ATOM 0 HZ2 TRP B 145 15.282 10.158 -0.271 1.00 11.32 H new ATOM 0 HZ3 TRP B 145 13.017 13.446 1.263 1.00 22.52 H new ATOM 0 HH2 TRP B 145 15.079 12.543 0.282 1.00 31.30 H new ATOM 1867 N LYS B 146 11.653 9.838 4.156 1.00 52.21 N ATOM 1868 CA LYS B 146 12.993 10.021 4.777 1.00 65.10 C ATOM 1869 C LYS B 146 12.909 9.973 6.309 1.00 5.40 C ATOM 1870 O LYS B 146 13.872 9.571 6.974 1.00 31.11 O ATOM 1871 CB LYS B 146 13.609 11.347 4.275 1.00 40.42 C ATOM 1872 CG LYS B 146 14.977 11.754 4.862 1.00 22.25 C ATOM 1873 CD LYS B 146 15.508 13.089 4.269 1.00 3.15 C ATOM 1874 CE LYS B 146 14.520 14.265 4.446 1.00 44.43 C ATOM 1875 NZ LYS B 146 15.080 15.552 3.949 1.00 0.13 N ATOM 0 H LYS B 146 11.206 10.714 3.884 1.00 52.21 H new ATOM 0 HA LYS B 146 13.643 9.199 4.478 1.00 65.10 H new ATOM 0 HB2 LYS B 146 13.711 11.284 3.192 1.00 40.42 H new ATOM 0 HB3 LYS B 146 12.900 12.149 4.482 1.00 40.42 H new ATOM 0 HG2 LYS B 146 14.890 11.851 5.944 1.00 22.25 H new ATOM 0 HG3 LYS B 146 15.701 10.962 4.670 1.00 22.25 H new ATOM 0 HD2 LYS B 146 16.454 13.342 4.748 1.00 3.15 H new ATOM 0 HD3 LYS B 146 15.714 12.952 3.208 1.00 3.15 H new ATOM 0 HE2 LYS B 146 13.595 14.043 3.913 1.00 44.43 H new ATOM 0 HE3 LYS B 146 14.264 14.366 5.501 1.00 44.43 H new ATOM 0 HZ1 LYS B 146 14.383 16.311 4.088 1.00 0.13 H new ATOM 0 HZ2 LYS B 146 15.948 15.779 4.475 1.00 0.13 H new ATOM 0 HZ3 LYS B 146 15.301 15.466 2.936 1.00 0.13 H new ATOM 1889 N ALA B 147 11.739 10.354 6.859 1.00 42.23 N ATOM 1890 CA ALA B 147 11.465 10.268 8.309 1.00 51.44 C ATOM 1891 C ALA B 147 11.516 8.801 8.788 1.00 55.45 C ATOM 1892 O ALA B 147 11.814 8.529 9.949 1.00 55.12 O ATOM 1893 CB ALA B 147 10.103 10.901 8.635 1.00 2.35 C ATOM 0 H ALA B 147 10.961 10.728 6.315 1.00 42.23 H new ATOM 0 HA ALA B 147 12.238 10.824 8.840 1.00 51.44 H new ATOM 0 HB1 ALA B 147 9.916 10.830 9.706 1.00 2.35 H new ATOM 0 HB2 ALA B 147 10.108 11.949 8.336 1.00 2.35 H new ATOM 0 HB3 ALA B 147 9.318 10.373 8.094 1.00 2.35 H new ATOM 1899 N LYS B 148 11.214 7.878 7.864 1.00 23.30 N ATOM 1900 CA LYS B 148 11.295 6.431 8.079 1.00 75.14 C ATOM 1901 C LYS B 148 12.695 5.897 7.757 1.00 41.24 C ATOM 1902 O LYS B 148 13.261 5.143 8.545 1.00 13.30 O ATOM 1903 CB LYS B 148 10.235 5.743 7.192 1.00 53.15 C ATOM 1904 CG LYS B 148 8.783 5.986 7.641 1.00 62.11 C ATOM 1905 CD LYS B 148 8.451 5.374 9.018 1.00 62.03 C ATOM 1906 CE LYS B 148 8.672 3.858 9.043 1.00 41.41 C ATOM 1907 NZ LYS B 148 8.232 3.265 10.322 1.00 44.42 N ATOM 0 H LYS B 148 10.900 8.125 6.926 1.00 23.30 H new ATOM 0 HA LYS B 148 11.101 6.213 9.129 1.00 75.14 H new ATOM 0 HB2 LYS B 148 10.350 6.096 6.167 1.00 53.15 H new ATOM 0 HB3 LYS B 148 10.426 4.670 7.183 1.00 53.15 H new ATOM 0 HG2 LYS B 148 8.597 7.059 7.676 1.00 62.11 H new ATOM 0 HG3 LYS B 148 8.106 5.569 6.895 1.00 62.11 H new ATOM 0 HD2 LYS B 148 9.071 5.843 9.782 1.00 62.03 H new ATOM 0 HD3 LYS B 148 7.414 5.593 9.271 1.00 62.03 H new ATOM 0 HE2 LYS B 148 8.126 3.397 8.220 1.00 41.41 H new ATOM 0 HE3 LYS B 148 9.729 3.641 8.885 1.00 41.41 H new ATOM 0 HZ1 LYS B 148 7.976 2.268 10.173 1.00 44.42 H new ATOM 0 HZ2 LYS B 148 9.004 3.324 11.016 1.00 44.42 H new ATOM 0 HZ3 LYS B 148 7.405 3.785 10.679 1.00 44.42 H new ATOM 1921 N ALA B 149 13.246 6.323 6.603 1.00 42.14 N ATOM 1922 CA ALA B 149 14.565 5.858 6.097 1.00 64.23 C ATOM 1923 C ALA B 149 15.711 6.127 7.104 1.00 52.30 C ATOM 1924 O ALA B 149 16.691 5.380 7.163 1.00 72.25 O ATOM 1925 CB ALA B 149 14.866 6.535 4.750 1.00 14.02 C ATOM 0 H ALA B 149 12.793 7.001 5.990 1.00 42.14 H new ATOM 0 HA ALA B 149 14.508 4.778 5.964 1.00 64.23 H new ATOM 0 HB1 ALA B 149 15.833 6.194 4.379 1.00 14.02 H new ATOM 0 HB2 ALA B 149 14.089 6.275 4.031 1.00 14.02 H new ATOM 0 HB3 ALA B 149 14.890 7.617 4.884 1.00 14.02 H new ATOM 1931 N GLN B 150 15.562 7.207 7.887 1.00 12.42 N ATOM 1932 CA GLN B 150 16.529 7.607 8.927 1.00 25.24 C ATOM 1933 C GLN B 150 16.184 6.987 10.300 1.00 45.35 C ATOM 1934 O GLN B 150 17.048 6.905 11.179 1.00 71.43 O ATOM 1935 CB GLN B 150 16.560 9.154 9.038 1.00 73.12 C ATOM 1936 CG GLN B 150 17.087 9.886 7.789 1.00 13.42 C ATOM 1937 CD GLN B 150 16.905 11.411 7.848 1.00 74.11 C ATOM 1938 OE1 GLN B 150 17.732 12.173 7.337 1.00 34.35 O ATOM 1939 NE2 GLN B 150 15.785 11.873 8.411 1.00 33.30 N ATOM 0 H GLN B 150 14.761 7.834 7.817 1.00 12.42 H new ATOM 0 HA GLN B 150 17.511 7.235 8.635 1.00 25.24 H new ATOM 0 HB2 GLN B 150 15.551 9.508 9.250 1.00 73.12 H new ATOM 0 HB3 GLN B 150 17.180 9.430 9.891 1.00 73.12 H new ATOM 0 HG2 GLN B 150 18.146 9.659 7.665 1.00 13.42 H new ATOM 0 HG3 GLN B 150 16.573 9.501 6.908 1.00 13.42 H new ATOM 0 HE21 GLN B 150 15.117 11.223 8.826 1.00 33.30 H new ATOM 0 HE22 GLN B 150 15.597 12.875 8.425 1.00 33.30 H new ATOM 1948 N ALA B 151 14.918 6.576 10.489 1.00 53.35 N ATOM 1949 CA ALA B 151 14.428 6.041 11.784 1.00 32.44 C ATOM 1950 C ALA B 151 14.634 4.519 11.896 1.00 21.41 C ATOM 1951 O ALA B 151 14.851 3.991 12.995 1.00 31.43 O ATOM 1952 CB ALA B 151 12.944 6.395 11.969 1.00 4.22 C ATOM 0 H ALA B 151 14.206 6.602 9.759 1.00 53.35 H new ATOM 0 HA ALA B 151 15.014 6.505 12.577 1.00 32.44 H new ATOM 0 HB1 ALA B 151 12.591 5.999 12.921 1.00 4.22 H new ATOM 0 HB2 ALA B 151 12.824 7.478 11.960 1.00 4.22 H new ATOM 0 HB3 ALA B 151 12.362 5.959 11.157 1.00 4.22 H new ATOM 1958 N THR B 152 14.577 3.821 10.753 1.00 70.14 N ATOM 1959 CA THR B 152 14.579 2.347 10.705 1.00 73.25 C ATOM 1960 C THR B 152 15.963 1.796 10.307 1.00 13.33 C ATOM 1961 O THR B 152 16.073 0.759 9.632 1.00 10.41 O ATOM 1962 CB THR B 152 13.485 1.865 9.709 1.00 65.44 C ATOM 1963 OG1 THR B 152 13.772 2.383 8.400 1.00 63.15 O ATOM 1964 CG2 THR B 152 12.076 2.317 10.148 1.00 42.03 C ATOM 0 H THR B 152 14.528 4.260 9.834 1.00 70.14 H new ATOM 0 HA THR B 152 14.357 1.965 11.701 1.00 73.25 H new ATOM 0 HB THR B 152 13.496 0.775 9.694 1.00 65.44 H new ATOM 0 HG1 THR B 152 13.579 3.344 8.379 1.00 63.15 H new ATOM 0 HG21 THR B 152 11.339 1.962 9.428 1.00 42.03 H new ATOM 0 HG22 THR B 152 11.851 1.904 11.131 1.00 42.03 H new ATOM 0 HG23 THR B 152 12.041 3.405 10.195 1.00 42.03 H new ATOM 1972 N VAL B 153 17.016 2.486 10.779 1.00 73.24 N ATOM 1973 CA VAL B 153 18.424 2.080 10.581 1.00 22.40 C ATOM 1974 C VAL B 153 18.706 0.746 11.317 1.00 52.31 C ATOM 1975 O VAL B 153 19.504 -0.079 10.858 1.00 34.45 O ATOM 1976 CB VAL B 153 19.397 3.212 11.091 1.00 44.22 C ATOM 1977 CG1 VAL B 153 20.886 2.841 10.886 1.00 61.15 C ATOM 1978 CG2 VAL B 153 19.073 4.555 10.400 1.00 73.44 C ATOM 0 H VAL B 153 16.916 3.349 11.314 1.00 73.24 H new ATOM 0 HA VAL B 153 18.599 1.930 9.516 1.00 22.40 H new ATOM 0 HB VAL B 153 19.236 3.316 12.164 1.00 44.22 H new ATOM 0 HG11 VAL B 153 21.517 3.651 11.252 1.00 61.15 H new ATOM 0 HG12 VAL B 153 21.112 1.928 11.436 1.00 61.15 H new ATOM 0 HG13 VAL B 153 21.079 2.683 9.825 1.00 61.15 H new ATOM 0 HG21 VAL B 153 19.754 5.325 10.764 1.00 73.44 H new ATOM 0 HG22 VAL B 153 19.190 4.447 9.322 1.00 73.44 H new ATOM 0 HG23 VAL B 153 18.046 4.842 10.626 1.00 73.44 H new ATOM 1988 N ASP B 154 18.021 0.560 12.461 1.00 61.40 N ATOM 1989 CA ASP B 154 18.077 -0.673 13.277 1.00 52.01 C ATOM 1990 C ASP B 154 17.407 -1.868 12.562 1.00 45.34 C ATOM 1991 O ASP B 154 17.848 -3.016 12.711 1.00 45.54 O ATOM 1992 CB ASP B 154 17.382 -0.414 14.648 1.00 24.14 C ATOM 1993 CG ASP B 154 17.383 -1.645 15.588 1.00 22.42 C ATOM 1994 OD1 ASP B 154 18.397 -1.890 16.265 1.00 42.44 O ATOM 1995 OD2 ASP B 154 16.374 -2.382 15.643 1.00 5.43 O ATOM 0 H ASP B 154 17.403 1.271 12.852 1.00 61.40 H new ATOM 0 HA ASP B 154 19.125 -0.931 13.431 1.00 52.01 H new ATOM 0 HB2 ASP B 154 17.883 0.415 15.148 1.00 24.14 H new ATOM 0 HB3 ASP B 154 16.352 -0.104 14.471 1.00 24.14 H new ATOM 2000 N ASN B 155 16.350 -1.574 11.777 1.00 75.23 N ATOM 2001 CA ASN B 155 15.484 -2.587 11.157 1.00 54.11 C ATOM 2002 C ASN B 155 16.189 -3.226 9.931 1.00 75.22 C ATOM 2003 O ASN B 155 16.913 -2.538 9.201 1.00 41.43 O ATOM 2004 CB ASN B 155 14.137 -1.925 10.751 1.00 14.31 C ATOM 2005 CG ASN B 155 13.005 -2.935 10.589 1.00 63.33 C ATOM 2006 OD1 ASN B 155 12.196 -3.133 11.490 1.00 34.24 O ATOM 2007 ND2 ASN B 155 12.963 -3.619 9.475 1.00 2.13 N ATOM 0 H ASN B 155 16.075 -0.617 11.556 1.00 75.23 H new ATOM 0 HA ASN B 155 15.283 -3.385 11.871 1.00 54.11 H new ATOM 0 HB2 ASN B 155 13.857 -1.190 11.506 1.00 14.31 H new ATOM 0 HB3 ASN B 155 14.271 -1.384 9.814 1.00 14.31 H new ATOM 0 HD21 ASN B 155 12.248 -4.334 9.342 1.00 2.13 H new ATOM 0 HD22 ASN B 155 13.646 -3.438 8.739 1.00 2.13 H new ATOM 2014 N ALA B 156 15.944 -4.532 9.709 1.00 40.51 N ATOM 2015 CA ALA B 156 16.682 -5.353 8.719 1.00 3.01 C ATOM 2016 C ALA B 156 16.272 -5.033 7.256 1.00 4.53 C ATOM 2017 O ALA B 156 15.223 -5.486 6.784 1.00 44.11 O ATOM 2018 CB ALA B 156 16.494 -6.852 9.047 1.00 52.41 C ATOM 0 H ALA B 156 15.226 -5.053 10.212 1.00 40.51 H new ATOM 0 HA ALA B 156 17.740 -5.102 8.794 1.00 3.01 H new ATOM 0 HB1 ALA B 156 17.037 -7.455 8.319 1.00 52.41 H new ATOM 0 HB2 ALA B 156 16.878 -7.057 10.046 1.00 52.41 H new ATOM 0 HB3 ALA B 156 15.434 -7.103 9.008 1.00 52.41 H new ATOM 2024 N HIS B 157 17.117 -4.214 6.572 1.00 74.30 N ATOM 2025 CA HIS B 157 16.992 -3.864 5.126 1.00 14.02 C ATOM 2026 C HIS B 157 15.702 -3.073 4.825 1.00 24.42 C ATOM 2027 O HIS B 157 15.225 -3.052 3.686 1.00 2.30 O ATOM 2028 CB HIS B 157 17.087 -5.131 4.227 1.00 13.14 C ATOM 2029 CG HIS B 157 18.405 -5.865 4.296 1.00 73.44 C ATOM 2030 ND1 HIS B 157 18.523 -7.230 4.128 1.00 65.04 N ATOM 2031 CD2 HIS B 157 19.668 -5.413 4.502 1.00 13.12 C ATOM 2032 CE1 HIS B 157 19.792 -7.575 4.240 1.00 71.21 C ATOM 2033 NE2 HIS B 157 20.505 -6.495 4.467 1.00 34.02 N ATOM 0 H HIS B 157 17.920 -3.769 7.017 1.00 74.30 H new ATOM 0 HA HIS B 157 17.833 -3.212 4.888 1.00 14.02 H new ATOM 0 HB2 HIS B 157 16.290 -5.819 4.509 1.00 13.14 H new ATOM 0 HB3 HIS B 157 16.905 -4.839 3.193 1.00 13.14 H new ATOM 0 HD2 HIS B 157 19.960 -4.386 4.664 1.00 13.12 H new ATOM 0 HE1 HIS B 157 20.180 -8.579 4.158 1.00 71.21 H new ATOM 0 HE2 HIS B 157 21.516 -6.468 4.596 1.00 34.02 H new ATOM 2042 N ALA B 158 15.173 -2.395 5.850 1.00 72.24 N ATOM 2043 CA ALA B 158 13.907 -1.667 5.755 1.00 52.31 C ATOM 2044 C ALA B 158 14.095 -0.331 5.018 1.00 10.32 C ATOM 2045 O ALA B 158 14.546 0.664 5.604 1.00 23.13 O ATOM 2046 CB ALA B 158 13.306 -1.455 7.141 1.00 14.52 C ATOM 0 H ALA B 158 15.613 -2.337 6.769 1.00 72.24 H new ATOM 0 HA ALA B 158 13.208 -2.268 5.173 1.00 52.31 H new ATOM 0 HB1 ALA B 158 12.365 -0.912 7.050 1.00 14.52 H new ATOM 0 HB2 ALA B 158 13.123 -2.422 7.610 1.00 14.52 H new ATOM 0 HB3 ALA B 158 13.999 -0.879 7.754 1.00 14.52 H new ATOM 2052 N ARG B 159 13.789 -0.353 3.721 1.00 73.30 N ATOM 2053 CA ARG B 159 13.816 0.828 2.842 1.00 50.11 C ATOM 2054 C ARG B 159 12.373 1.263 2.577 1.00 72.44 C ATOM 2055 O ARG B 159 11.541 0.447 2.161 1.00 13.14 O ATOM 2056 CB ARG B 159 14.558 0.510 1.508 1.00 31.42 C ATOM 2057 CG ARG B 159 16.064 0.842 1.476 1.00 71.43 C ATOM 2058 CD ARG B 159 16.893 0.106 2.545 1.00 51.21 C ATOM 2059 NE ARG B 159 18.313 0.476 2.434 1.00 3.40 N ATOM 2060 CZ ARG B 159 19.116 0.824 3.445 1.00 34.05 C ATOM 2061 NH1 ARG B 159 18.674 0.854 4.702 1.00 10.52 N ATOM 2062 NH2 ARG B 159 20.370 1.155 3.187 1.00 33.23 N ATOM 0 H ARG B 159 13.509 -1.206 3.237 1.00 73.30 H new ATOM 0 HA ARG B 159 14.361 1.638 3.327 1.00 50.11 H new ATOM 0 HB2 ARG B 159 14.435 -0.551 1.291 1.00 31.42 H new ATOM 0 HB3 ARG B 159 14.068 1.058 0.703 1.00 31.42 H new ATOM 0 HG2 ARG B 159 16.459 0.594 0.491 1.00 71.43 H new ATOM 0 HG3 ARG B 159 16.191 1.916 1.609 1.00 71.43 H new ATOM 0 HD2 ARG B 159 16.522 0.356 3.539 1.00 51.21 H new ATOM 0 HD3 ARG B 159 16.780 -0.971 2.424 1.00 51.21 H new ATOM 0 HE ARG B 159 18.722 0.466 1.500 1.00 3.40 H new ATOM 0 HH11 ARG B 159 17.706 0.608 4.908 1.00 10.52 H new ATOM 0 HH12 ARG B 159 19.304 1.122 5.458 1.00 10.52 H new ATOM 0 HH21 ARG B 159 20.713 1.143 2.227 1.00 33.23 H new ATOM 0 HH22 ARG B 159 20.994 1.423 3.948 1.00 33.23 H new ATOM 2076 N TYR B 160 12.087 2.540 2.843 1.00 21.22 N ATOM 2077 CA TYR B 160 10.739 3.110 2.723 1.00 21.43 C ATOM 2078 C TYR B 160 10.704 4.129 1.600 1.00 3.22 C ATOM 2079 O TYR B 160 11.526 5.045 1.549 1.00 30.52 O ATOM 2080 CB TYR B 160 10.291 3.735 4.060 1.00 24.54 C ATOM 2081 CG TYR B 160 10.205 2.683 5.163 1.00 33.02 C ATOM 2082 CD1 TYR B 160 11.323 2.340 5.906 1.00 34.42 C ATOM 2083 CD2 TYR B 160 9.024 1.988 5.412 1.00 62.30 C ATOM 2084 CE1 TYR B 160 11.266 1.351 6.845 1.00 23.54 C ATOM 2085 CE2 TYR B 160 8.964 1.004 6.368 1.00 71.43 C ATOM 2086 CZ TYR B 160 10.093 0.685 7.079 1.00 24.51 C ATOM 2087 OH TYR B 160 10.065 -0.323 8.018 1.00 60.31 O ATOM 0 H TYR B 160 12.788 3.214 3.150 1.00 21.22 H new ATOM 0 HA TYR B 160 10.038 2.311 2.482 1.00 21.43 H new ATOM 0 HB2 TYR B 160 10.994 4.515 4.353 1.00 24.54 H new ATOM 0 HB3 TYR B 160 9.319 4.212 3.933 1.00 24.54 H new ATOM 0 HD1 TYR B 160 12.253 2.863 5.740 1.00 34.42 H new ATOM 0 HD2 TYR B 160 8.138 2.228 4.842 1.00 62.30 H new ATOM 0 HE1 TYR B 160 12.151 1.092 7.407 1.00 23.54 H new ATOM 0 HE2 TYR B 160 8.036 0.486 6.558 1.00 71.43 H new ATOM 0 HH TYR B 160 9.465 -0.071 8.751 1.00 60.31 H new ATOM 2097 N PHE B 161 9.751 3.923 0.697 1.00 75.04 N ATOM 2098 CA PHE B 161 9.552 4.726 -0.507 1.00 32.10 C ATOM 2099 C PHE B 161 8.114 5.299 -0.495 1.00 60.23 C ATOM 2100 O PHE B 161 7.501 5.444 0.573 1.00 44.33 O ATOM 2101 CB PHE B 161 9.778 3.826 -1.750 1.00 54.15 C ATOM 2102 CG PHE B 161 11.154 3.164 -1.869 1.00 61.12 C ATOM 2103 CD1 PHE B 161 11.411 1.917 -1.293 1.00 30.21 C ATOM 2104 CD2 PHE B 161 12.176 3.772 -2.588 1.00 41.31 C ATOM 2105 CE1 PHE B 161 12.645 1.310 -1.432 1.00 61.13 C ATOM 2106 CE2 PHE B 161 13.407 3.162 -2.730 1.00 4.33 C ATOM 2107 CZ PHE B 161 13.642 1.933 -2.152 1.00 63.42 C ATOM 0 H PHE B 161 9.072 3.167 0.785 1.00 75.04 H new ATOM 0 HA PHE B 161 10.258 5.555 -0.540 1.00 32.10 H new ATOM 0 HB2 PHE B 161 9.021 3.042 -1.747 1.00 54.15 H new ATOM 0 HB3 PHE B 161 9.610 4.428 -2.643 1.00 54.15 H new ATOM 0 HD1 PHE B 161 10.634 1.420 -0.731 1.00 30.21 H new ATOM 0 HD2 PHE B 161 12.005 4.737 -3.043 1.00 41.31 H new ATOM 0 HE1 PHE B 161 12.828 0.348 -0.977 1.00 61.13 H new ATOM 0 HE2 PHE B 161 14.188 3.649 -3.295 1.00 4.33 H new ATOM 0 HZ PHE B 161 14.606 1.459 -2.263 1.00 63.42 H new ATOM 2117 N ILE B 162 7.582 5.629 -1.693 1.00 23.22 N ATOM 2118 CA ILE B 162 6.229 6.201 -1.874 1.00 12.23 C ATOM 2119 C ILE B 162 5.569 5.455 -3.044 1.00 62.13 C ATOM 2120 O ILE B 162 6.266 4.803 -3.827 1.00 21.21 O ATOM 2121 CB ILE B 162 6.290 7.770 -2.148 1.00 43.13 C ATOM 2122 CG1 ILE B 162 7.308 8.476 -1.190 1.00 62.35 C ATOM 2123 CG2 ILE B 162 4.895 8.418 -2.004 1.00 13.25 C ATOM 2124 CD1 ILE B 162 7.555 9.941 -1.487 1.00 73.35 C ATOM 0 H ILE B 162 8.086 5.504 -2.571 1.00 23.22 H new ATOM 0 HA ILE B 162 5.642 6.075 -0.964 1.00 12.23 H new ATOM 0 HB ILE B 162 6.631 7.904 -3.175 1.00 43.13 H new ATOM 0 HG12 ILE B 162 6.945 8.384 -0.166 1.00 62.35 H new ATOM 0 HG13 ILE B 162 8.259 7.945 -1.239 1.00 62.35 H new ATOM 0 HG21 ILE B 162 4.969 9.488 -2.197 1.00 13.25 H new ATOM 0 HG22 ILE B 162 4.209 7.967 -2.721 1.00 13.25 H new ATOM 0 HG23 ILE B 162 4.521 8.257 -0.993 1.00 13.25 H new ATOM 0 HD11 ILE B 162 8.273 10.341 -0.771 1.00 73.35 H new ATOM 0 HD12 ILE B 162 7.952 10.046 -2.497 1.00 73.35 H new ATOM 0 HD13 ILE B 162 6.618 10.492 -1.407 1.00 73.35 H new ATOM 2136 N ILE B 163 4.237 5.525 -3.161 1.00 5.40 N ATOM 2137 CA ILE B 163 3.500 4.738 -4.162 1.00 65.24 C ATOM 2138 C ILE B 163 2.255 5.513 -4.644 1.00 4.13 C ATOM 2139 O ILE B 163 1.937 6.588 -4.120 1.00 30.44 O ATOM 2140 CB ILE B 163 3.133 3.309 -3.566 1.00 42.34 C ATOM 2141 CG1 ILE B 163 3.193 2.217 -4.664 1.00 43.31 C ATOM 2142 CG2 ILE B 163 1.767 3.300 -2.839 1.00 34.23 C ATOM 2143 CD1 ILE B 163 2.965 0.796 -4.164 1.00 21.21 C ATOM 0 H ILE B 163 3.647 6.117 -2.577 1.00 5.40 H new ATOM 0 HA ILE B 163 4.131 4.575 -5.036 1.00 65.24 H new ATOM 0 HB ILE B 163 3.886 3.079 -2.813 1.00 42.34 H new ATOM 0 HG12 ILE B 163 2.445 2.444 -5.424 1.00 43.31 H new ATOM 0 HG13 ILE B 163 4.167 2.264 -5.151 1.00 43.31 H new ATOM 0 HG21 ILE B 163 1.567 2.301 -2.452 1.00 34.23 H new ATOM 0 HG22 ILE B 163 1.790 4.011 -2.013 1.00 34.23 H new ATOM 0 HG23 ILE B 163 0.980 3.582 -3.539 1.00 34.23 H new ATOM 0 HD11 ILE B 163 3.025 0.101 -5.002 1.00 21.21 H new ATOM 0 HD12 ILE B 163 3.727 0.543 -3.427 1.00 21.21 H new ATOM 0 HD13 ILE B 163 1.979 0.726 -3.705 1.00 21.21 H new ATOM 2155 N HIS B 164 1.573 4.966 -5.663 1.00 73.41 N ATOM 2156 CA HIS B 164 0.360 5.563 -6.246 1.00 43.22 C ATOM 2157 C HIS B 164 -0.900 4.986 -5.572 1.00 25.31 C ATOM 2158 O HIS B 164 -1.012 3.773 -5.391 1.00 63.21 O ATOM 2159 CB HIS B 164 0.328 5.308 -7.775 1.00 13.35 C ATOM 2160 CG HIS B 164 1.384 6.070 -8.534 1.00 13.35 C ATOM 2161 ND1 HIS B 164 1.139 7.292 -9.126 1.00 51.34 N ATOM 2162 CD2 HIS B 164 2.691 5.800 -8.771 1.00 52.24 C ATOM 2163 CE1 HIS B 164 2.241 7.734 -9.692 1.00 43.31 C ATOM 2164 NE2 HIS B 164 3.197 6.853 -9.491 1.00 5.13 N ATOM 0 H HIS B 164 1.849 4.091 -6.109 1.00 73.41 H new ATOM 0 HA HIS B 164 0.376 6.639 -6.072 1.00 43.22 H new ATOM 0 HB2 HIS B 164 0.457 4.242 -7.960 1.00 13.35 H new ATOM 0 HB3 HIS B 164 -0.654 5.582 -8.161 1.00 13.35 H new ATOM 0 HD1 HIS B 164 0.242 7.778 -9.125 1.00 51.34 H new ATOM 0 HD2 HIS B 164 3.232 4.921 -8.453 1.00 52.24 H new ATOM 0 HE1 HIS B 164 2.344 8.664 -10.231 1.00 43.31 H new ATOM 2173 N ALA B 165 -1.835 5.875 -5.205 1.00 71.22 N ATOM 2174 CA ALA B 165 -3.130 5.496 -4.627 1.00 43.30 C ATOM 2175 C ALA B 165 -4.216 6.426 -5.165 1.00 23.53 C ATOM 2176 O ALA B 165 -4.427 7.530 -4.648 1.00 70.30 O ATOM 2177 CB ALA B 165 -3.080 5.530 -3.101 1.00 31.33 C ATOM 0 H ALA B 165 -1.712 6.883 -5.302 1.00 71.22 H new ATOM 0 HA ALA B 165 -3.365 4.472 -4.919 1.00 43.30 H new ATOM 0 HB1 ALA B 165 -4.052 5.245 -2.699 1.00 31.33 H new ATOM 0 HB2 ALA B 165 -2.322 4.832 -2.746 1.00 31.33 H new ATOM 0 HB3 ALA B 165 -2.830 6.537 -2.767 1.00 31.33 H new ATOM 2183 N HIS B 166 -4.851 5.979 -6.247 1.00 14.32 N ATOM 2184 CA HIS B 166 -5.956 6.678 -6.903 1.00 32.14 C ATOM 2185 C HIS B 166 -6.674 5.679 -7.804 1.00 62.33 C ATOM 2186 O HIS B 166 -7.901 5.568 -7.786 1.00 24.43 O ATOM 2187 CB HIS B 166 -5.448 7.889 -7.737 1.00 21.25 C ATOM 2188 CG HIS B 166 -6.551 8.711 -8.359 1.00 74.31 C ATOM 2189 ND1 HIS B 166 -7.059 9.845 -7.770 1.00 21.13 N ATOM 2190 CD2 HIS B 166 -7.254 8.549 -9.510 1.00 64.15 C ATOM 2191 CE1 HIS B 166 -8.024 10.331 -8.517 1.00 3.25 C ATOM 2192 NE2 HIS B 166 -8.162 9.568 -9.579 1.00 60.22 N ATOM 0 H HIS B 166 -4.606 5.100 -6.703 1.00 14.32 H new ATOM 0 HA HIS B 166 -6.636 7.073 -6.148 1.00 32.14 H new ATOM 0 HB2 HIS B 166 -4.847 8.533 -7.095 1.00 21.25 H new ATOM 0 HB3 HIS B 166 -4.791 7.524 -8.527 1.00 21.25 H new ATOM 0 HD2 HIS B 166 -7.120 7.761 -10.236 1.00 64.15 H new ATOM 0 HE1 HIS B 166 -8.608 11.212 -8.295 1.00 3.25 H new ATOM 0 HE2 HIS B 166 -8.836 9.713 -10.331 1.00 60.22 H new ATOM 2201 N LYS B 167 -5.881 4.970 -8.614 1.00 73.52 N ATOM 2202 CA LYS B 167 -6.383 3.935 -9.513 1.00 4.44 C ATOM 2203 C LYS B 167 -6.168 2.566 -8.856 1.00 11.34 C ATOM 2204 O LYS B 167 -5.066 1.997 -8.915 1.00 13.43 O ATOM 2205 CB LYS B 167 -5.690 4.013 -10.900 1.00 52.32 C ATOM 2206 CG LYS B 167 -6.298 3.041 -11.936 1.00 12.24 C ATOM 2207 CD LYS B 167 -5.640 3.118 -13.335 1.00 33.20 C ATOM 2208 CE LYS B 167 -6.325 2.174 -14.342 1.00 4.02 C ATOM 2209 NZ LYS B 167 -5.689 2.214 -15.683 1.00 3.42 N ATOM 0 H LYS B 167 -4.871 5.101 -8.662 1.00 73.52 H new ATOM 0 HA LYS B 167 -7.448 4.088 -9.686 1.00 4.44 H new ATOM 0 HB2 LYS B 167 -5.764 5.032 -11.280 1.00 52.32 H new ATOM 0 HB3 LYS B 167 -4.629 3.793 -10.782 1.00 52.32 H new ATOM 0 HG2 LYS B 167 -6.208 2.022 -11.559 1.00 12.24 H new ATOM 0 HG3 LYS B 167 -7.363 3.251 -12.035 1.00 12.24 H new ATOM 0 HD2 LYS B 167 -5.690 4.142 -13.705 1.00 33.20 H new ATOM 0 HD3 LYS B 167 -4.584 2.860 -13.255 1.00 33.20 H new ATOM 0 HE2 LYS B 167 -6.293 1.154 -13.959 1.00 4.02 H new ATOM 0 HE3 LYS B 167 -7.376 2.447 -14.434 1.00 4.02 H new ATOM 0 HZ1 LYS B 167 -6.186 1.562 -16.323 1.00 3.42 H new ATOM 0 HZ2 LYS B 167 -5.742 3.180 -16.064 1.00 3.42 H new ATOM 0 HZ3 LYS B 167 -4.692 1.928 -15.603 1.00 3.42 H new ATOM 2223 N LEU B 168 -7.213 2.085 -8.174 1.00 35.35 N ATOM 2224 CA LEU B 168 -7.227 0.758 -7.552 1.00 72.53 C ATOM 2225 C LEU B 168 -7.565 -0.280 -8.626 1.00 2.15 C ATOM 2226 O LEU B 168 -8.481 -0.076 -9.429 1.00 44.43 O ATOM 2227 CB LEU B 168 -8.258 0.690 -6.397 1.00 12.15 C ATOM 2228 CG LEU B 168 -7.975 1.598 -5.163 1.00 31.01 C ATOM 2229 CD1 LEU B 168 -9.072 1.455 -4.086 1.00 25.03 C ATOM 2230 CD2 LEU B 168 -6.582 1.328 -4.570 1.00 54.23 C ATOM 0 H LEU B 168 -8.077 2.609 -8.038 1.00 35.35 H new ATOM 0 HA LEU B 168 -6.245 0.552 -7.126 1.00 72.53 H new ATOM 0 HB2 LEU B 168 -9.237 0.952 -6.797 1.00 12.15 H new ATOM 0 HB3 LEU B 168 -8.320 -0.343 -6.054 1.00 12.15 H new ATOM 0 HG LEU B 168 -7.992 2.629 -5.516 1.00 31.01 H new ATOM 0 HD11 LEU B 168 -8.839 2.104 -3.241 1.00 25.03 H new ATOM 0 HD12 LEU B 168 -10.036 1.740 -4.508 1.00 25.03 H new ATOM 0 HD13 LEU B 168 -9.117 0.420 -3.747 1.00 25.03 H new ATOM 0 HD21 LEU B 168 -6.420 1.979 -3.711 1.00 54.23 H new ATOM 0 HD22 LEU B 168 -6.517 0.287 -4.253 1.00 54.23 H new ATOM 0 HD23 LEU B 168 -5.821 1.526 -5.325 1.00 54.23 H new ATOM 2242 N LEU B 169 -6.805 -1.372 -8.645 1.00 30.01 N ATOM 2243 CA LEU B 169 -7.002 -2.472 -9.580 1.00 3.32 C ATOM 2244 C LEU B 169 -8.203 -3.305 -9.129 1.00 52.11 C ATOM 2245 O LEU B 169 -8.057 -4.298 -8.408 1.00 53.34 O ATOM 2246 CB LEU B 169 -5.707 -3.315 -9.665 1.00 44.21 C ATOM 2247 CG LEU B 169 -4.446 -2.524 -10.122 1.00 4.41 C ATOM 2248 CD1 LEU B 169 -3.160 -3.347 -9.951 1.00 63.32 C ATOM 2249 CD2 LEU B 169 -4.615 -2.018 -11.570 1.00 75.31 C ATOM 0 H LEU B 169 -6.026 -1.518 -8.003 1.00 30.01 H new ATOM 0 HA LEU B 169 -7.214 -2.093 -10.580 1.00 3.32 H new ATOM 0 HB2 LEU B 169 -5.510 -3.753 -8.687 1.00 44.21 H new ATOM 0 HB3 LEU B 169 -5.872 -4.141 -10.357 1.00 44.21 H new ATOM 0 HG LEU B 169 -4.346 -1.654 -9.473 1.00 4.41 H new ATOM 0 HD11 LEU B 169 -2.304 -2.758 -10.282 1.00 63.32 H new ATOM 0 HD12 LEU B 169 -3.034 -3.612 -8.901 1.00 63.32 H new ATOM 0 HD13 LEU B 169 -3.227 -4.256 -10.549 1.00 63.32 H new ATOM 0 HD21 LEU B 169 -3.723 -1.468 -11.870 1.00 75.31 H new ATOM 0 HD22 LEU B 169 -4.759 -2.867 -12.238 1.00 75.31 H new ATOM 0 HD23 LEU B 169 -5.483 -1.361 -11.627 1.00 75.31 H new ATOM 2261 N ASP B 170 -9.398 -2.822 -9.487 1.00 72.14 N ATOM 2262 CA ASP B 170 -10.655 -3.508 -9.193 1.00 4.22 C ATOM 2263 C ASP B 170 -11.013 -4.427 -10.387 1.00 41.34 C ATOM 2264 O ASP B 170 -11.206 -3.954 -11.503 1.00 30.11 O ATOM 2265 CB ASP B 170 -11.801 -2.510 -8.862 1.00 34.13 C ATOM 2266 CG ASP B 170 -12.237 -1.617 -10.034 1.00 71.02 C ATOM 2267 OD1 ASP B 170 -11.478 -0.693 -10.407 1.00 52.14 O ATOM 2268 OD2 ASP B 170 -13.323 -1.859 -10.597 1.00 33.43 O ATOM 0 H ASP B 170 -9.518 -1.943 -9.990 1.00 72.14 H new ATOM 0 HA ASP B 170 -10.528 -4.118 -8.299 1.00 4.22 H new ATOM 0 HB2 ASP B 170 -12.666 -3.074 -8.513 1.00 34.13 H new ATOM 0 HB3 ASP B 170 -11.482 -1.873 -8.037 1.00 34.13 H new ATOM 2273 N PRO B 171 -11.026 -5.774 -10.182 1.00 13.51 N ATOM 2274 CA PRO B 171 -11.497 -6.763 -11.196 1.00 44.12 C ATOM 2275 C PRO B 171 -13.013 -6.679 -11.536 1.00 2.53 C ATOM 2276 O PRO B 171 -13.517 -7.485 -12.332 1.00 24.33 O ATOM 2277 CB PRO B 171 -11.130 -8.130 -10.561 1.00 10.25 C ATOM 2278 CG PRO B 171 -10.109 -7.804 -9.515 1.00 23.21 C ATOM 2279 CD PRO B 171 -10.492 -6.455 -8.989 1.00 71.42 C ATOM 0 HA PRO B 171 -11.028 -6.580 -12.163 1.00 44.12 H new ATOM 0 HB2 PRO B 171 -12.005 -8.611 -10.123 1.00 10.25 H new ATOM 0 HB3 PRO B 171 -10.728 -8.817 -11.306 1.00 10.25 H new ATOM 0 HG2 PRO B 171 -10.110 -8.550 -8.720 1.00 23.21 H new ATOM 0 HG3 PRO B 171 -9.105 -7.790 -9.938 1.00 23.21 H new ATOM 0 HD2 PRO B 171 -11.238 -6.527 -8.198 1.00 71.42 H new ATOM 0 HD3 PRO B 171 -9.635 -5.926 -8.572 1.00 71.42 H new