USER MOD reduce.3.24.130724 H: found=0, std=0, add=1326, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1324 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 114 CYS SG : rot 140:sc= -0.197 USER MOD Set 1.2: A 120 GLN : amide:sc= -3.22! C(o=-3.4!,f=-3.3!) USER MOD Set 2.1: A 94 LYS NZ :NH3+ 169:sc= -4.94! (180deg=-2.06) USER MOD Set 2.2: A 96 GLN : amide:sc= -9.99! C(o=-15!,f=-8.2!) USER MOD Set 3.1: A 49 TYR OH : rot 165:sc=-0.00529 USER MOD Set 3.2: A 58 MET CE :methyl -178:sc= -1.18 (180deg=-1.26) USER MOD Set 4.1: A 20 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 22 CYS SG : rot -106:sc= 0.599 USER MOD Set 4.3: A 26 CYS SG : rot 160:sc= -0.836 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 23:sc= 1.64 USER MOD Single : A 10 TYR OH : rot -11:sc= -0.858 USER MOD Single : A 14 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.16) USER MOD Single : A 16 GLN : amide:sc= 0.376 X(o=0.38,f=-0.0018) USER MOD Single : A 24 CYS SG : rot -80:sc= -0.0978 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 43:sc= -2.05 USER MOD Single : A 37 ASN : amide:sc= -7.61! C(o=-7.6!,f=-3.3!) USER MOD Single : A 38 SER OG : rot 60:sc= 1.17 USER MOD Single : A 45 THR OG1 : rot 54:sc= -0.0942 USER MOD Single : A 53 ASN : amide:sc= -0.754 K(o=-0.75,f=-2.1!) USER MOD Single : A 55 SER OG : rot 180:sc= -0.219 USER MOD Single : A 57 HIS : no HD1:sc= -0.277 X(o=-0.28,f=-0.038) USER MOD Single : A 59 TYR OH : rot 130:sc= -0.269 USER MOD Single : A 63 GLN : amide:sc= -5.19! C(o=-5.2!,f=-3.7!) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.025 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -2.09! C(o=-2.1!,f=-8.3!) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -3.51! C(o=-3.5!,f=-4.5!) USER MOD Single : A 81 SER OG : rot -172:sc= -1.57! USER MOD Single : A 82 CYS SG : rot 27:sc= 0.0564 USER MOD Single : A 86 HIS : no HD1:sc= -1.44 K(o=-1.4,f=-0.38) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc=-0.00898 USER MOD Single : A 92 GLN : amide:sc= -1.18! K(o=-1.2!,f=-0.4) USER MOD Single : A 100 LYS NZ :NH3+ -154:sc= -1.32 (180deg=-3.4!) USER MOD Single : A 104 ASN : amide:sc= -0.133 K(o=-0.13,f=-2.1!) USER MOD Single : A 106 GLN : amide:sc= -2.38! K(o=-2.4!,f=-0.14) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= -0.114 USER MOD Single : A 110 THR OG1 : rot 42:sc= 0.748 USER MOD Single : A 111 THR OG1 : rot 66:sc= -0.52 USER MOD Single : A 116 SER OG : rot 180:sc= 0.014 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 HIS : no HD1:sc= -0.444 X(o=-0.44,f=-0.85) USER MOD Single : A 127 HIS : no HE2:sc= -1 K(o=-1,f=-2.8) USER MOD Single : A 128 SER OG : rot 2:sc= -2.82! USER MOD Single : A 129 CYS SG : rot 17:sc= 0.762 USER MOD Single : A 130 LYS NZ :NH3+ -135:sc= -1.11 (180deg=-3.09!) USER MOD Single : A 139 TYR OH : rot 180:sc= -0.569 USER MOD Single : A 143 ASN : amide:sc= -7! C(o=-7!,f=-11!) USER MOD Single : A 144 TYR OH : rot 180:sc=-0.00203 USER MOD Single : A 148 GLN : amide:sc= -0.0228 K(o=-0.023,f=-1.8!) USER MOD Single : A 149 TYR OH : rot 147:sc= 0.145 USER MOD Single : A 153 LYS NZ :NH3+ -163:sc= -0.0337 (180deg=-0.46) USER MOD Single : A 154 LYS NZ :NH3+ -161:sc= -0.119 (180deg=-0.741) USER MOD Single : A 156 TYR OH : rot 180:sc= 0.233 USER MOD Single : A 158 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.003) USER MOD Single : A 166 SER OG : rot 180:sc= 0 USER MOD Single : A 170 GLN : amide:sc= -2.36! K(o=-2.4!,f=-0.17) USER MOD Single : A 171 SER OG : rot -140:sc= -1.07 USER MOD ----------------------------------------------------------------- ATOM 50 N GLY A 4 -15.910 -11.247 0.871 1.00 0.52 N ATOM 51 CA GLY A 4 -16.233 -10.771 2.251 1.00 0.30 C ATOM 52 C GLY A 4 -14.910 -10.678 3.016 1.00 0.41 C ATOM 53 O GLY A 4 -14.486 -11.607 3.674 1.00 0.81 O ATOM 0 HA2 GLY A 4 -16.728 -9.800 2.218 1.00 0.30 H new ATOM 0 HA3 GLY A 4 -16.917 -11.461 2.746 1.00 0.30 H new ATOM 57 N GLY A 5 -14.248 -9.554 2.907 1.00 0.01 N ATOM 58 CA GLY A 5 -12.940 -9.390 3.598 1.00 0.01 C ATOM 59 C GLY A 5 -13.147 -9.100 5.084 1.00 0.01 C ATOM 60 O GLY A 5 -14.128 -8.505 5.483 1.00 0.01 O ATOM 0 H GLY A 5 -14.559 -8.745 2.369 1.00 0.01 H new ATOM 0 HA2 GLY A 5 -12.344 -10.295 3.479 1.00 0.01 H new ATOM 0 HA3 GLY A 5 -12.380 -8.576 3.138 1.00 0.01 H new ATOM 64 N LYS A 6 -12.221 -9.519 5.905 1.00 0.00 N ATOM 65 CA LYS A 6 -12.342 -9.276 7.373 1.00 0.01 C ATOM 66 C LYS A 6 -10.949 -9.153 7.986 1.00 0.01 C ATOM 67 O LYS A 6 -10.056 -9.930 7.702 1.00 0.00 O ATOM 68 CB LYS A 6 -13.093 -10.434 8.038 1.00 0.02 C ATOM 69 CG LYS A 6 -13.379 -10.095 9.506 1.00 0.02 C ATOM 70 CD LYS A 6 -14.087 -11.282 10.193 1.00 0.02 C ATOM 71 CE LYS A 6 -15.604 -11.188 9.988 1.00 0.02 C ATOM 72 NZ LYS A 6 -16.230 -12.503 10.312 1.00 0.02 N ATOM 0 H LYS A 6 -11.381 -10.022 5.620 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.897 -8.352 7.536 1.00 0.01 H new ATOM 0 HB2 LYS A 6 -14.028 -10.623 7.511 1.00 0.02 H new ATOM 0 HB3 LYS A 6 -12.501 -11.347 7.975 1.00 0.02 H new ATOM 0 HG2 LYS A 6 -12.447 -9.868 10.024 1.00 0.02 H new ATOM 0 HG3 LYS A 6 -14.003 -9.204 9.567 1.00 0.02 H new ATOM 0 HD2 LYS A 6 -13.716 -12.222 9.784 1.00 0.02 H new ATOM 0 HD3 LYS A 6 -13.857 -11.284 11.258 1.00 0.02 H new ATOM 0 HE2 LYS A 6 -16.021 -10.408 10.625 1.00 0.02 H new ATOM 0 HE3 LYS A 6 -15.826 -10.911 8.958 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 -17.259 -12.441 10.174 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 -15.840 -13.237 9.687 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 -16.028 -12.749 11.302 1.00 0.02 H new ATOM 86 N ILE A 7 -10.768 -8.182 8.847 1.00 0.02 N ATOM 87 CA ILE A 7 -9.448 -7.980 9.518 1.00 0.00 C ATOM 88 C ILE A 7 -9.668 -7.848 11.028 1.00 0.02 C ATOM 89 O ILE A 7 -10.614 -7.228 11.477 1.00 0.01 O ATOM 90 CB ILE A 7 -8.769 -6.736 8.943 1.00 0.02 C ATOM 91 CG1 ILE A 7 -7.516 -6.409 9.760 1.00 0.02 C ATOM 92 CG2 ILE A 7 -9.732 -5.551 8.981 1.00 0.01 C ATOM 93 CD1 ILE A 7 -6.621 -5.451 8.967 1.00 0.02 C ATOM 0 H ILE A 7 -11.489 -7.513 9.116 1.00 0.02 H new ATOM 0 HA ILE A 7 -8.796 -8.835 9.338 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.486 -6.931 7.909 1.00 0.02 H new ATOM 0 HG12 ILE A 7 -7.797 -5.957 10.711 1.00 0.02 H new ATOM 0 HG13 ILE A 7 -6.971 -7.324 9.991 1.00 0.02 H new ATOM 0 HG21 ILE A 7 -9.240 -4.669 8.570 1.00 0.01 H new ATOM 0 HG22 ILE A 7 -10.617 -5.782 8.389 1.00 0.01 H new ATOM 0 HG23 ILE A 7 -10.027 -5.354 10.012 1.00 0.01 H new ATOM 0 HD11 ILE A 7 -5.730 -5.219 9.550 1.00 0.02 H new ATOM 0 HD12 ILE A 7 -6.328 -5.920 8.028 1.00 0.02 H new ATOM 0 HD13 ILE A 7 -7.167 -4.531 8.759 1.00 0.02 H new ATOM 105 N SER A 8 -8.789 -8.424 11.812 1.00 0.02 N ATOM 106 CA SER A 8 -8.912 -8.341 13.305 1.00 0.02 C ATOM 107 C SER A 8 -7.654 -7.692 13.888 1.00 0.01 C ATOM 108 O SER A 8 -6.545 -8.088 13.596 1.00 0.02 O ATOM 109 CB SER A 8 -9.083 -9.746 13.895 1.00 0.30 C ATOM 110 OG SER A 8 -10.445 -10.136 13.783 1.00 0.39 O ATOM 0 H SER A 8 -7.983 -8.954 11.480 1.00 0.02 H new ATOM 0 HA SER A 8 -9.784 -7.738 13.558 1.00 0.02 H new ATOM 0 HB2 SER A 8 -8.445 -10.455 13.368 1.00 0.30 H new ATOM 0 HB3 SER A 8 -8.774 -9.755 14.940 1.00 0.30 H new ATOM 0 HG SER A 8 -10.874 -9.624 13.066 1.00 0.39 H new ATOM 116 N PHE A 9 -7.833 -6.703 14.731 1.00 0.02 N ATOM 117 CA PHE A 9 -6.676 -6.011 15.376 1.00 0.01 C ATOM 118 C PHE A 9 -6.648 -6.380 16.865 1.00 0.01 C ATOM 119 O PHE A 9 -7.681 -6.461 17.501 1.00 0.02 O ATOM 120 CB PHE A 9 -6.860 -4.498 15.243 1.00 0.02 C ATOM 121 CG PHE A 9 -7.108 -4.119 13.802 1.00 0.01 C ATOM 122 CD1 PHE A 9 -8.405 -4.185 13.278 1.00 0.01 C ATOM 123 CD2 PHE A 9 -6.047 -3.687 12.998 1.00 0.01 C ATOM 124 CE1 PHE A 9 -8.641 -3.819 11.947 1.00 0.02 C ATOM 125 CE2 PHE A 9 -6.283 -3.323 11.665 1.00 0.02 C ATOM 126 CZ PHE A 9 -7.580 -3.388 11.141 1.00 0.02 C ATOM 0 H PHE A 9 -8.747 -6.342 15.002 1.00 0.02 H new ATOM 0 HA PHE A 9 -5.745 -6.314 14.896 1.00 0.01 H new ATOM 0 HB2 PHE A 9 -7.697 -4.172 15.860 1.00 0.02 H new ATOM 0 HB3 PHE A 9 -5.973 -3.984 15.613 1.00 0.02 H new ATOM 0 HD1 PHE A 9 -9.223 -4.518 13.900 1.00 0.01 H new ATOM 0 HD2 PHE A 9 -5.048 -3.634 13.404 1.00 0.01 H new ATOM 0 HE1 PHE A 9 -9.641 -3.869 11.542 1.00 0.02 H new ATOM 0 HE2 PHE A 9 -5.465 -2.993 11.042 1.00 0.02 H new ATOM 0 HZ PHE A 9 -7.762 -3.106 10.115 1.00 0.02 H new ATOM 136 N TYR A 10 -5.480 -6.623 17.424 1.00 0.02 N ATOM 137 CA TYR A 10 -5.388 -7.007 18.877 1.00 0.01 C ATOM 138 C TYR A 10 -4.473 -6.024 19.616 1.00 0.02 C ATOM 139 O TYR A 10 -3.462 -5.594 19.097 1.00 0.01 O ATOM 140 CB TYR A 10 -4.797 -8.414 18.992 1.00 0.02 C ATOM 141 CG TYR A 10 -5.544 -9.374 18.085 1.00 0.02 C ATOM 142 CD1 TYR A 10 -5.374 -9.306 16.697 1.00 0.02 C ATOM 143 CD2 TYR A 10 -6.394 -10.342 18.638 1.00 0.00 C ATOM 144 CE1 TYR A 10 -6.051 -10.204 15.863 1.00 0.02 C ATOM 145 CE2 TYR A 10 -7.071 -11.239 17.801 1.00 0.02 C ATOM 146 CZ TYR A 10 -6.898 -11.169 16.415 1.00 0.00 C ATOM 147 OH TYR A 10 -7.565 -12.053 15.592 1.00 0.02 O ATOM 0 H TYR A 10 -4.585 -6.572 16.937 1.00 0.02 H new ATOM 0 HA TYR A 10 -6.385 -6.982 19.318 1.00 0.01 H new ATOM 0 HB2 TYR A 10 -3.741 -8.395 18.723 1.00 0.02 H new ATOM 0 HB3 TYR A 10 -4.857 -8.758 20.025 1.00 0.02 H new ATOM 0 HD1 TYR A 10 -4.720 -8.560 16.269 1.00 0.02 H new ATOM 0 HD2 TYR A 10 -6.527 -10.396 19.708 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.919 -10.151 14.792 1.00 0.02 H new ATOM 0 HE2 TYR A 10 -7.727 -11.985 18.226 1.00 0.02 H new ATOM 0 HH TYR A 10 -7.478 -11.762 14.660 1.00 0.02 H new ATOM 157 N GLU A 11 -4.839 -5.635 20.814 1.00 0.00 N ATOM 158 CA GLU A 11 -4.010 -4.646 21.566 1.00 0.02 C ATOM 159 C GLU A 11 -2.669 -5.238 22.004 1.00 0.03 C ATOM 160 O GLU A 11 -1.709 -4.510 22.153 1.00 0.03 O ATOM 161 CB GLU A 11 -4.772 -4.189 22.816 1.00 0.00 C ATOM 162 CG GLU A 11 -5.873 -3.214 22.415 1.00 0.00 C ATOM 163 CD GLU A 11 -6.598 -2.719 23.668 1.00 0.02 C ATOM 164 OE1 GLU A 11 -6.125 -3.008 24.755 1.00 0.02 O ATOM 165 OE2 GLU A 11 -7.612 -2.059 23.519 1.00 0.01 O ATOM 0 H GLU A 11 -5.674 -5.960 21.301 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.814 -3.807 20.898 1.00 0.02 H new ATOM 0 HB2 GLU A 11 -5.203 -5.050 23.327 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.088 -3.712 23.518 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.446 -2.371 21.872 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.579 -3.702 21.743 1.00 0.00 H new ATOM 172 N ASP A 12 -2.576 -6.531 22.219 1.00 0.02 N ATOM 173 CA ASP A 12 -1.270 -7.127 22.657 1.00 0.01 C ATOM 174 C ASP A 12 -0.724 -8.064 21.581 1.00 0.02 C ATOM 175 O ASP A 12 -1.386 -8.387 20.614 1.00 0.02 O ATOM 176 CB ASP A 12 -1.472 -7.918 23.952 1.00 0.01 C ATOM 177 CG ASP A 12 -1.990 -6.979 25.045 1.00 0.01 C ATOM 178 OD1 ASP A 12 -1.373 -5.947 25.251 1.00 0.02 O ATOM 179 OD2 ASP A 12 -2.994 -7.307 25.655 1.00 0.03 O ATOM 0 H ASP A 12 -3.342 -7.196 22.111 1.00 0.02 H new ATOM 0 HA ASP A 12 -0.558 -6.318 22.823 1.00 0.01 H new ATOM 0 HB2 ASP A 12 -2.181 -8.730 23.789 1.00 0.01 H new ATOM 0 HB3 ASP A 12 -0.532 -8.373 24.264 1.00 0.01 H new ATOM 184 N ARG A 13 0.495 -8.487 21.758 1.00 0.02 N ATOM 185 CA ARG A 13 1.151 -9.398 20.779 1.00 0.02 C ATOM 186 C ARG A 13 0.572 -10.811 20.911 1.00 0.00 C ATOM 187 O ARG A 13 0.034 -11.186 21.933 1.00 0.02 O ATOM 188 CB ARG A 13 2.651 -9.427 21.089 1.00 0.00 C ATOM 189 CG ARG A 13 3.317 -8.160 20.540 1.00 0.01 C ATOM 190 CD ARG A 13 4.832 -8.226 20.764 1.00 0.02 C ATOM 191 NE ARG A 13 5.511 -7.330 19.789 1.00 0.03 N ATOM 192 CZ ARG A 13 6.757 -6.994 19.971 1.00 0.02 C ATOM 193 NH1 ARG A 13 7.405 -7.433 21.015 1.00 0.02 N ATOM 194 NH2 ARG A 13 7.353 -6.217 19.108 1.00 0.02 N ATOM 0 H ARG A 13 1.077 -8.235 22.557 1.00 0.02 H new ATOM 0 HA ARG A 13 0.978 -9.044 19.763 1.00 0.02 H new ATOM 0 HB2 ARG A 13 2.808 -9.495 22.165 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.107 -10.311 20.644 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.102 -8.058 19.476 1.00 0.01 H new ATOM 0 HG3 ARG A 13 2.906 -7.280 21.034 1.00 0.01 H new ATOM 0 HD2 ARG A 13 5.074 -7.924 21.783 1.00 0.02 H new ATOM 0 HD3 ARG A 13 5.185 -9.250 20.642 1.00 0.02 H new ATOM 0 HE ARG A 13 5.001 -6.979 18.978 1.00 0.03 H new ATOM 0 HH11 ARG A 13 6.936 -8.039 21.688 1.00 0.02 H new ATOM 0 HH12 ARG A 13 8.380 -7.170 21.158 1.00 0.02 H new ATOM 0 HH21 ARG A 13 6.844 -5.874 18.293 1.00 0.02 H new ATOM 0 HH22 ARG A 13 8.328 -5.953 19.248 1.00 0.02 H new ATOM 208 N ASN A 14 0.696 -11.593 19.869 1.00 0.02 N ATOM 209 CA ASN A 14 0.183 -12.994 19.884 1.00 0.02 C ATOM 210 C ASN A 14 -1.345 -13.019 19.991 1.00 0.02 C ATOM 211 O ASN A 14 -1.932 -13.887 20.606 1.00 0.02 O ATOM 212 CB ASN A 14 0.824 -13.756 21.053 1.00 0.26 C ATOM 213 CG ASN A 14 0.708 -15.263 20.809 1.00 0.12 C ATOM 214 OD1 ASN A 14 0.349 -16.011 21.696 1.00 0.74 O ATOM 215 ND2 ASN A 14 0.994 -15.740 19.630 1.00 0.46 N ATOM 0 H ASN A 14 1.139 -11.313 18.994 1.00 0.02 H new ATOM 0 HA ASN A 14 0.453 -13.481 18.947 1.00 0.02 H new ATOM 0 HB2 ASN A 14 1.872 -13.473 21.154 1.00 0.26 H new ATOM 0 HB3 ASN A 14 0.331 -13.490 21.988 1.00 0.26 H new ATOM 0 HD21 ASN A 14 0.916 -16.741 19.452 1.00 0.46 H new ATOM 0 HD22 ASN A 14 1.295 -15.112 18.885 1.00 0.46 H new ATOM 222 N PHE A 15 -1.977 -12.051 19.370 1.00 0.02 N ATOM 223 CA PHE A 15 -3.472 -11.940 19.361 1.00 0.02 C ATOM 224 C PHE A 15 -4.043 -12.043 20.777 1.00 0.00 C ATOM 225 O PHE A 15 -5.022 -12.719 21.026 1.00 0.02 O ATOM 226 CB PHE A 15 -4.108 -13.003 18.431 1.00 0.02 C ATOM 227 CG PHE A 15 -3.330 -14.296 18.471 1.00 0.02 C ATOM 228 CD1 PHE A 15 -2.211 -14.461 17.646 1.00 0.02 C ATOM 229 CD2 PHE A 15 -3.729 -15.329 19.328 1.00 0.02 C ATOM 230 CE1 PHE A 15 -1.487 -15.661 17.678 1.00 0.02 C ATOM 231 CE2 PHE A 15 -3.007 -16.527 19.359 1.00 0.02 C ATOM 232 CZ PHE A 15 -1.886 -16.694 18.535 1.00 0.02 C ATOM 0 H PHE A 15 -1.503 -11.310 18.853 1.00 0.02 H new ATOM 0 HA PHE A 15 -3.726 -10.956 18.967 1.00 0.02 H new ATOM 0 HB2 PHE A 15 -5.139 -13.186 18.734 1.00 0.02 H new ATOM 0 HB3 PHE A 15 -4.139 -12.625 17.409 1.00 0.02 H new ATOM 0 HD1 PHE A 15 -1.905 -13.664 16.985 1.00 0.02 H new ATOM 0 HD2 PHE A 15 -4.593 -15.201 19.964 1.00 0.02 H new ATOM 0 HE1 PHE A 15 -0.623 -15.789 17.043 1.00 0.02 H new ATOM 0 HE2 PHE A 15 -3.314 -17.325 20.019 1.00 0.02 H new ATOM 0 HZ PHE A 15 -1.330 -17.619 18.561 1.00 0.02 H new ATOM 242 N GLN A 16 -3.441 -11.339 21.696 1.00 0.02 N ATOM 243 CA GLN A 16 -3.925 -11.328 23.109 1.00 0.02 C ATOM 244 C GLN A 16 -4.466 -9.927 23.413 1.00 0.02 C ATOM 245 O GLN A 16 -4.224 -8.992 22.676 1.00 0.02 O ATOM 246 CB GLN A 16 -2.753 -11.631 24.048 1.00 0.02 C ATOM 247 CG GLN A 16 -2.394 -13.115 23.953 1.00 0.00 C ATOM 248 CD GLN A 16 -1.130 -13.387 24.770 1.00 0.00 C ATOM 249 OE1 GLN A 16 -1.159 -14.140 25.723 1.00 0.02 O ATOM 250 NE2 GLN A 16 -0.012 -12.804 24.431 1.00 0.02 N ATOM 0 H GLN A 16 -2.619 -10.760 21.525 1.00 0.02 H new ATOM 0 HA GLN A 16 -4.703 -12.078 23.251 1.00 0.02 H new ATOM 0 HB2 GLN A 16 -1.891 -11.020 23.780 1.00 0.02 H new ATOM 0 HB3 GLN A 16 -3.019 -11.375 25.074 1.00 0.02 H new ATOM 0 HG2 GLN A 16 -3.218 -13.724 24.325 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.234 -13.396 22.912 1.00 0.00 H new ATOM 0 HE21 GLN A 16 0.011 -12.172 23.631 1.00 0.02 H new ATOM 0 HE22 GLN A 16 0.838 -12.981 24.966 1.00 0.02 H new ATOM 259 N GLY A 17 -5.192 -9.762 24.486 1.00 0.03 N ATOM 260 CA GLY A 17 -5.727 -8.406 24.817 1.00 0.03 C ATOM 261 C GLY A 17 -7.084 -8.175 24.142 1.00 0.02 C ATOM 262 O GLY A 17 -7.699 -9.087 23.628 1.00 0.02 O ATOM 0 H GLY A 17 -5.438 -10.501 25.145 1.00 0.03 H new ATOM 0 HA2 GLY A 17 -5.832 -8.305 25.897 1.00 0.03 H new ATOM 0 HA3 GLY A 17 -5.020 -7.642 24.493 1.00 0.03 H new ATOM 266 N ARG A 18 -7.544 -6.953 24.132 1.00 0.00 N ATOM 267 CA ARG A 18 -8.852 -6.641 23.485 1.00 0.02 C ATOM 268 C ARG A 18 -8.724 -6.813 21.971 1.00 0.02 C ATOM 269 O ARG A 18 -7.700 -6.520 21.381 1.00 0.02 O ATOM 270 CB ARG A 18 -9.236 -5.193 23.803 1.00 0.79 C ATOM 271 CG ARG A 18 -10.549 -4.848 23.097 1.00 1.49 C ATOM 272 CD ARG A 18 -11.118 -3.556 23.683 1.00 1.42 C ATOM 273 NE ARG A 18 -10.021 -2.562 23.856 1.00 2.07 N ATOM 274 CZ ARG A 18 -10.308 -1.304 24.050 1.00 2.35 C ATOM 275 NH1 ARG A 18 -11.556 -0.919 24.086 1.00 2.53 N ATOM 276 NH2 ARG A 18 -9.350 -0.431 24.207 1.00 2.76 N ATOM 0 H ARG A 18 -7.067 -6.152 24.547 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.620 -7.316 23.863 1.00 0.02 H new ATOM 0 HB2 ARG A 18 -9.344 -5.062 24.880 1.00 0.79 H new ATOM 0 HB3 ARG A 18 -8.446 -4.516 23.477 1.00 0.79 H new ATOM 0 HG2 ARG A 18 -10.379 -4.731 22.027 1.00 1.49 H new ATOM 0 HG3 ARG A 18 -11.264 -5.661 23.219 1.00 1.49 H new ATOM 0 HD2 ARG A 18 -11.887 -3.153 23.024 1.00 1.42 H new ATOM 0 HD3 ARG A 18 -11.594 -3.758 24.642 1.00 1.42 H new ATOM 0 HE ARG A 18 -9.047 -2.865 23.823 1.00 2.07 H new ATOM 0 HH11 ARG A 18 -12.304 -1.601 23.963 1.00 2.53 H new ATOM 0 HH12 ARG A 18 -11.782 0.064 24.238 1.00 2.53 H new ATOM 0 HH21 ARG A 18 -8.376 -0.732 24.178 1.00 2.76 H new ATOM 0 HH22 ARG A 18 -9.576 0.552 24.359 1.00 2.76 H new ATOM 290 N ARG A 19 -9.761 -7.315 21.343 1.00 0.02 N ATOM 291 CA ARG A 19 -9.734 -7.552 19.866 1.00 0.02 C ATOM 292 C ARG A 19 -10.836 -6.732 19.186 1.00 0.02 C ATOM 293 O ARG A 19 -11.902 -6.524 19.730 1.00 0.02 O ATOM 294 CB ARG A 19 -10.003 -9.045 19.622 1.00 0.85 C ATOM 295 CG ARG A 19 -9.919 -9.383 18.127 1.00 1.31 C ATOM 296 CD ARG A 19 -10.506 -10.777 17.895 1.00 1.34 C ATOM 297 NE ARG A 19 -10.363 -11.150 16.461 1.00 1.50 N ATOM 298 CZ ARG A 19 -10.493 -12.397 16.096 1.00 1.63 C ATOM 299 NH1 ARG A 19 -10.744 -13.313 16.991 1.00 1.72 N ATOM 300 NH2 ARG A 19 -10.376 -12.727 14.841 1.00 1.89 N ATOM 0 H ARG A 19 -10.636 -7.574 21.799 1.00 0.02 H new ATOM 0 HA ARG A 19 -8.767 -7.257 19.458 1.00 0.02 H new ATOM 0 HB2 ARG A 19 -9.279 -9.644 20.175 1.00 0.85 H new ATOM 0 HB3 ARG A 19 -10.990 -9.307 20.003 1.00 0.85 H new ATOM 0 HG2 ARG A 19 -10.466 -8.643 17.543 1.00 1.31 H new ATOM 0 HG3 ARG A 19 -8.882 -9.351 17.792 1.00 1.31 H new ATOM 0 HD2 ARG A 19 -9.995 -11.506 18.523 1.00 1.34 H new ATOM 0 HD3 ARG A 19 -11.558 -10.791 18.181 1.00 1.34 H new ATOM 0 HE ARG A 19 -10.164 -10.432 15.764 1.00 1.50 H new ATOM 0 HH11 ARG A 19 -10.838 -13.054 17.973 1.00 1.72 H new ATOM 0 HH12 ARG A 19 -10.846 -14.288 16.708 1.00 1.72 H new ATOM 0 HH21 ARG A 19 -10.182 -12.011 14.141 1.00 1.89 H new ATOM 0 HH22 ARG A 19 -10.478 -13.702 14.558 1.00 1.89 H new ATOM 314 N TYR A 20 -10.584 -6.298 17.978 1.00 0.02 N ATOM 315 CA TYR A 20 -11.598 -5.519 17.205 1.00 0.02 C ATOM 316 C TYR A 20 -11.675 -6.116 15.799 1.00 0.02 C ATOM 317 O TYR A 20 -10.673 -6.267 15.131 1.00 0.02 O ATOM 318 CB TYR A 20 -11.181 -4.047 17.119 1.00 0.02 C ATOM 319 CG TYR A 20 -12.116 -3.311 16.184 1.00 0.01 C ATOM 320 CD1 TYR A 20 -13.480 -3.220 16.491 1.00 0.02 C ATOM 321 CD2 TYR A 20 -11.624 -2.723 15.009 1.00 0.01 C ATOM 322 CE1 TYR A 20 -14.350 -2.544 15.626 1.00 0.02 C ATOM 323 CE2 TYR A 20 -12.495 -2.047 14.147 1.00 0.02 C ATOM 324 CZ TYR A 20 -13.858 -1.958 14.455 1.00 0.02 C ATOM 325 OH TYR A 20 -14.717 -1.293 13.604 1.00 0.01 O ATOM 0 H TYR A 20 -9.704 -6.453 17.487 1.00 0.02 H new ATOM 0 HA TYR A 20 -12.568 -5.572 17.699 1.00 0.02 H new ATOM 0 HB2 TYR A 20 -11.207 -3.592 18.109 1.00 0.02 H new ATOM 0 HB3 TYR A 20 -10.155 -3.969 16.760 1.00 0.02 H new ATOM 0 HD1 TYR A 20 -13.861 -3.671 17.395 1.00 0.02 H new ATOM 0 HD2 TYR A 20 -10.573 -2.792 14.770 1.00 0.01 H new ATOM 0 HE1 TYR A 20 -15.401 -2.475 15.863 1.00 0.02 H new ATOM 0 HE2 TYR A 20 -12.115 -1.594 13.243 1.00 0.02 H new ATOM 0 HH TYR A 20 -14.214 -0.944 12.839 1.00 0.01 H new ATOM 335 N ASP A 21 -12.854 -6.471 15.353 1.00 0.01 N ATOM 336 CA ASP A 21 -13.011 -7.081 13.992 1.00 0.02 C ATOM 337 C ASP A 21 -13.772 -6.120 13.080 1.00 0.00 C ATOM 338 O ASP A 21 -14.736 -5.500 13.479 1.00 0.01 O ATOM 339 CB ASP A 21 -13.802 -8.383 14.128 1.00 0.12 C ATOM 340 CG ASP A 21 -13.673 -9.193 12.836 1.00 0.41 C ATOM 341 OD1 ASP A 21 -12.642 -9.820 12.653 1.00 0.56 O ATOM 342 OD2 ASP A 21 -14.606 -9.171 12.052 1.00 1.12 O ATOM 0 H ASP A 21 -13.723 -6.364 15.876 1.00 0.01 H new ATOM 0 HA ASP A 21 -12.030 -7.280 13.561 1.00 0.02 H new ATOM 0 HB2 ASP A 21 -13.428 -8.962 14.972 1.00 0.12 H new ATOM 0 HB3 ASP A 21 -14.851 -8.165 14.330 1.00 0.12 H new ATOM 347 N CYS A 22 -13.328 -5.992 11.850 1.00 0.01 N ATOM 348 CA CYS A 22 -14.003 -5.066 10.887 1.00 0.00 C ATOM 349 C CYS A 22 -14.264 -5.793 9.564 1.00 0.02 C ATOM 350 O CYS A 22 -13.439 -6.542 9.073 1.00 0.01 O ATOM 351 CB CYS A 22 -13.103 -3.852 10.654 1.00 0.00 C ATOM 352 SG CYS A 22 -14.066 -2.520 9.896 1.00 0.02 S ATOM 0 H CYS A 22 -12.523 -6.492 11.472 1.00 0.01 H new ATOM 0 HA CYS A 22 -14.958 -4.737 11.296 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -12.678 -3.515 11.599 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -12.268 -4.124 10.008 1.00 0.00 H new ATOM 0 HG CYS A 22 -13.741 -2.409 8.642 1.00 0.02 H new ATOM 358 N ASP A 23 -15.425 -5.575 8.991 1.00 0.01 N ATOM 359 CA ASP A 23 -15.791 -6.241 7.699 1.00 0.02 C ATOM 360 C ASP A 23 -15.972 -5.182 6.611 1.00 0.00 C ATOM 361 O ASP A 23 -16.441 -5.467 5.527 1.00 0.02 O ATOM 362 CB ASP A 23 -17.101 -7.012 7.884 1.00 0.16 C ATOM 363 CG ASP A 23 -18.099 -6.146 8.655 1.00 0.17 C ATOM 364 OD1 ASP A 23 -18.725 -5.304 8.033 1.00 0.17 O ATOM 365 OD2 ASP A 23 -18.219 -6.339 9.853 1.00 0.20 O ATOM 0 H ASP A 23 -16.143 -4.956 9.368 1.00 0.01 H new ATOM 0 HA ASP A 23 -14.998 -6.929 7.404 1.00 0.02 H new ATOM 0 HB2 ASP A 23 -17.515 -7.285 6.913 1.00 0.16 H new ATOM 0 HB3 ASP A 23 -16.916 -7.940 8.424 1.00 0.16 H new ATOM 370 N CYS A 24 -15.587 -3.966 6.882 1.00 0.01 N ATOM 371 CA CYS A 24 -15.717 -2.891 5.859 1.00 0.01 C ATOM 372 C CYS A 24 -14.715 -1.785 6.196 1.00 0.01 C ATOM 373 O CYS A 24 -14.054 -1.838 7.214 1.00 0.01 O ATOM 374 CB CYS A 24 -17.140 -2.327 5.876 1.00 0.62 C ATOM 375 SG CYS A 24 -17.372 -1.240 4.448 1.00 1.23 S ATOM 0 H CYS A 24 -15.186 -3.669 7.772 1.00 0.01 H new ATOM 0 HA CYS A 24 -15.514 -3.291 4.866 1.00 0.01 H new ATOM 0 HB2 CYS A 24 -17.866 -3.140 5.850 1.00 0.62 H new ATOM 0 HB3 CYS A 24 -17.313 -1.775 6.800 1.00 0.62 H new ATOM 0 HG CYS A 24 -16.849 -0.077 4.699 1.00 1.23 H new ATOM 381 N ASP A 25 -14.580 -0.788 5.364 1.00 0.02 N ATOM 382 CA ASP A 25 -13.604 0.295 5.668 1.00 0.01 C ATOM 383 C ASP A 25 -13.978 0.981 6.981 1.00 0.02 C ATOM 384 O ASP A 25 -15.139 1.167 7.290 1.00 0.00 O ATOM 385 CB ASP A 25 -13.633 1.332 4.544 1.00 0.01 C ATOM 386 CG ASP A 25 -12.436 2.275 4.687 1.00 0.01 C ATOM 387 OD1 ASP A 25 -12.011 2.493 5.809 1.00 0.01 O ATOM 388 OD2 ASP A 25 -11.966 2.761 3.672 1.00 0.01 O ATOM 0 H ASP A 25 -15.100 -0.677 4.493 1.00 0.02 H new ATOM 0 HA ASP A 25 -12.608 -0.138 5.754 1.00 0.01 H new ATOM 0 HB2 ASP A 25 -13.603 0.834 3.575 1.00 0.01 H new ATOM 0 HB3 ASP A 25 -14.563 1.899 4.582 1.00 0.01 H new ATOM 393 N CYS A 26 -12.993 1.386 7.744 1.00 0.01 N ATOM 394 CA CYS A 26 -13.259 2.097 9.034 1.00 0.01 C ATOM 395 C CYS A 26 -12.377 3.348 9.090 1.00 0.01 C ATOM 396 O CYS A 26 -11.164 3.262 9.078 1.00 0.01 O ATOM 397 CB CYS A 26 -12.937 1.177 10.213 1.00 0.01 C ATOM 398 SG CYS A 26 -13.571 1.911 11.741 1.00 0.02 S ATOM 0 H CYS A 26 -12.005 1.253 7.526 1.00 0.01 H new ATOM 0 HA CYS A 26 -14.310 2.380 9.093 1.00 0.01 H new ATOM 0 HB2 CYS A 26 -13.385 0.196 10.055 1.00 0.01 H new ATOM 0 HB3 CYS A 26 -11.860 1.028 10.288 1.00 0.01 H new ATOM 0 HG CYS A 26 -13.690 0.988 12.649 1.00 0.02 H new ATOM 404 N ALA A 27 -12.979 4.512 9.110 1.00 0.01 N ATOM 405 CA ALA A 27 -12.174 5.769 9.117 1.00 0.01 C ATOM 406 C ALA A 27 -11.602 6.041 10.505 1.00 0.01 C ATOM 407 O ALA A 27 -10.605 6.721 10.648 1.00 0.02 O ATOM 408 CB ALA A 27 -13.061 6.940 8.691 1.00 0.24 C ATOM 0 H ALA A 27 -13.990 4.644 9.122 1.00 0.01 H new ATOM 0 HA ALA A 27 -11.345 5.656 8.419 1.00 0.01 H new ATOM 0 HB1 ALA A 27 -12.476 7.860 8.695 1.00 0.24 H new ATOM 0 HB2 ALA A 27 -13.445 6.759 7.687 1.00 0.24 H new ATOM 0 HB3 ALA A 27 -13.894 7.037 9.387 1.00 0.24 H new ATOM 414 N ASP A 28 -12.218 5.520 11.527 1.00 0.01 N ATOM 415 CA ASP A 28 -11.705 5.749 12.909 1.00 0.02 C ATOM 416 C ASP A 28 -12.155 4.593 13.800 1.00 0.01 C ATOM 417 O ASP A 28 -13.286 4.544 14.242 1.00 0.02 O ATOM 418 CB ASP A 28 -12.266 7.064 13.453 1.00 0.67 C ATOM 419 CG ASP A 28 -13.780 7.101 13.242 1.00 0.90 C ATOM 420 OD1 ASP A 28 -14.297 6.188 12.618 1.00 1.14 O ATOM 421 OD2 ASP A 28 -14.399 8.043 13.709 1.00 0.87 O ATOM 0 H ASP A 28 -13.057 4.943 11.467 1.00 0.01 H new ATOM 0 HA ASP A 28 -10.616 5.804 12.895 1.00 0.02 H new ATOM 0 HB2 ASP A 28 -12.034 7.159 14.514 1.00 0.67 H new ATOM 0 HB3 ASP A 28 -11.797 7.908 12.947 1.00 0.67 H new ATOM 426 N PHE A 29 -11.270 3.667 14.072 1.00 0.02 N ATOM 427 CA PHE A 29 -11.622 2.497 14.945 1.00 0.02 C ATOM 428 C PHE A 29 -10.988 2.662 16.330 1.00 0.00 C ATOM 429 O PHE A 29 -10.953 1.756 17.142 1.00 0.02 O ATOM 430 CB PHE A 29 -11.179 1.191 14.275 1.00 2.87 C ATOM 431 CG PHE A 29 -9.690 0.982 14.412 1.00 3.99 C ATOM 432 CD1 PHE A 29 -8.809 1.656 13.558 1.00 4.68 C ATOM 433 CD2 PHE A 29 -9.191 0.096 15.374 1.00 4.52 C ATOM 434 CE1 PHE A 29 -7.431 1.445 13.670 1.00 5.85 C ATOM 435 CE2 PHE A 29 -7.813 -0.112 15.486 1.00 5.75 C ATOM 436 CZ PHE A 29 -6.935 0.561 14.633 1.00 6.37 C ATOM 0 H PHE A 29 -10.311 3.668 13.726 1.00 0.02 H new ATOM 0 HA PHE A 29 -12.703 2.457 15.077 1.00 0.02 H new ATOM 0 HB2 PHE A 29 -11.709 0.351 14.724 1.00 2.87 H new ATOM 0 HB3 PHE A 29 -11.450 1.211 13.219 1.00 2.87 H new ATOM 0 HD1 PHE A 29 -9.193 2.338 12.814 1.00 4.68 H new ATOM 0 HD2 PHE A 29 -9.871 -0.427 16.030 1.00 4.52 H new ATOM 0 HE1 PHE A 29 -6.750 1.965 13.013 1.00 5.85 H new ATOM 0 HE2 PHE A 29 -7.428 -0.792 16.231 1.00 5.75 H new ATOM 0 HZ PHE A 29 -5.871 0.398 14.718 1.00 6.37 H new ATOM 446 N ARG A 30 -10.458 3.827 16.589 1.00 0.01 N ATOM 447 CA ARG A 30 -9.802 4.091 17.899 1.00 0.00 C ATOM 448 C ARG A 30 -10.795 3.915 19.054 1.00 0.01 C ATOM 449 O ARG A 30 -10.402 3.696 20.182 1.00 0.02 O ATOM 450 CB ARG A 30 -9.263 5.527 17.929 1.00 0.32 C ATOM 451 CG ARG A 30 -8.232 5.734 16.807 1.00 0.86 C ATOM 452 CD ARG A 30 -6.883 5.089 17.171 1.00 1.62 C ATOM 453 NE ARG A 30 -6.492 5.465 18.559 1.00 2.25 N ATOM 454 CZ ARG A 30 -5.562 4.792 19.182 1.00 2.70 C ATOM 455 NH1 ARG A 30 -4.976 3.788 18.590 1.00 3.11 N ATOM 456 NH2 ARG A 30 -5.220 5.123 20.398 1.00 3.02 N ATOM 0 H ARG A 30 -10.452 4.614 15.941 1.00 0.01 H new ATOM 0 HA ARG A 30 -8.986 3.378 18.018 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.085 6.234 17.812 1.00 0.32 H new ATOM 0 HB3 ARG A 30 -8.803 5.730 18.896 1.00 0.32 H new ATOM 0 HG2 ARG A 30 -8.607 5.302 15.879 1.00 0.86 H new ATOM 0 HG3 ARG A 30 -8.093 6.800 16.628 1.00 0.86 H new ATOM 0 HD2 ARG A 30 -6.955 4.005 17.087 1.00 1.62 H new ATOM 0 HD3 ARG A 30 -6.115 5.413 16.468 1.00 1.62 H new ATOM 0 HE ARG A 30 -6.951 6.249 19.023 1.00 2.25 H new ATOM 0 HH11 ARG A 30 -5.244 3.529 17.641 1.00 3.11 H new ATOM 0 HH12 ARG A 30 -4.250 3.262 19.076 1.00 3.11 H new ATOM 0 HH21 ARG A 30 -5.679 5.907 20.861 1.00 3.02 H new ATOM 0 HH22 ARG A 30 -4.494 4.597 20.884 1.00 3.02 H new ATOM 470 N SER A 31 -12.077 4.030 18.804 1.00 0.02 N ATOM 471 CA SER A 31 -13.071 3.891 19.913 1.00 0.02 C ATOM 472 C SER A 31 -13.245 2.419 20.285 1.00 0.01 C ATOM 473 O SER A 31 -13.767 2.093 21.334 1.00 0.02 O ATOM 474 CB SER A 31 -14.413 4.456 19.451 1.00 0.37 C ATOM 475 OG SER A 31 -14.321 5.871 19.368 1.00 0.88 O ATOM 0 H SER A 31 -12.476 4.213 17.884 1.00 0.02 H new ATOM 0 HA SER A 31 -12.713 4.437 20.786 1.00 0.02 H new ATOM 0 HB2 SER A 31 -14.681 4.040 18.480 1.00 0.37 H new ATOM 0 HB3 SER A 31 -15.201 4.171 20.149 1.00 0.37 H new ATOM 0 HG SER A 31 -15.180 6.238 19.070 1.00 0.88 H new ATOM 481 N TYR A 32 -12.824 1.529 19.429 1.00 0.01 N ATOM 482 CA TYR A 32 -12.974 0.070 19.716 1.00 0.01 C ATOM 483 C TYR A 32 -11.630 -0.481 20.170 1.00 0.02 C ATOM 484 O TYR A 32 -11.547 -1.515 20.802 1.00 0.02 O ATOM 485 CB TYR A 32 -13.409 -0.649 18.437 1.00 0.02 C ATOM 486 CG TYR A 32 -14.788 -0.182 18.040 1.00 0.02 C ATOM 487 CD1 TYR A 32 -14.942 0.986 17.282 1.00 0.01 C ATOM 488 CD2 TYR A 32 -15.915 -0.917 18.428 1.00 0.01 C ATOM 489 CE1 TYR A 32 -16.222 1.417 16.914 1.00 0.02 C ATOM 490 CE2 TYR A 32 -17.194 -0.486 18.060 1.00 0.00 C ATOM 491 CZ TYR A 32 -17.348 0.682 17.303 1.00 0.02 C ATOM 492 OH TYR A 32 -18.611 1.108 16.939 1.00 0.02 O ATOM 0 H TYR A 32 -12.380 1.749 18.538 1.00 0.01 H new ATOM 0 HA TYR A 32 -13.721 -0.084 20.495 1.00 0.01 H new ATOM 0 HB2 TYR A 32 -12.700 -0.446 17.634 1.00 0.02 H new ATOM 0 HB3 TYR A 32 -13.411 -1.727 18.596 1.00 0.02 H new ATOM 0 HD1 TYR A 32 -14.074 1.554 16.982 1.00 0.01 H new ATOM 0 HD2 TYR A 32 -15.797 -1.818 19.012 1.00 0.01 H new ATOM 0 HE1 TYR A 32 -16.341 2.317 16.329 1.00 0.02 H new ATOM 0 HE2 TYR A 32 -18.062 -1.054 18.360 1.00 0.00 H new ATOM 0 HH TYR A 32 -19.280 0.484 17.289 1.00 0.02 H new ATOM 502 N LEU A 33 -10.572 0.205 19.840 1.00 0.02 N ATOM 503 CA LEU A 33 -9.213 -0.269 20.237 1.00 0.02 C ATOM 504 C LEU A 33 -8.292 0.949 20.422 1.00 0.02 C ATOM 505 O LEU A 33 -8.209 1.821 19.582 1.00 0.02 O ATOM 506 CB LEU A 33 -8.668 -1.171 19.108 1.00 1.66 C ATOM 507 CG LEU A 33 -7.870 -2.349 19.699 1.00 2.38 C ATOM 508 CD1 LEU A 33 -8.803 -3.295 20.495 1.00 3.32 C ATOM 509 CD2 LEU A 33 -7.188 -3.130 18.562 1.00 2.80 C ATOM 0 H LEU A 33 -10.588 1.077 19.311 1.00 0.02 H new ATOM 0 HA LEU A 33 -9.257 -0.829 21.171 1.00 0.02 H new ATOM 0 HB2 LEU A 33 -9.494 -1.549 18.505 1.00 1.66 H new ATOM 0 HB3 LEU A 33 -8.030 -0.588 18.444 1.00 1.66 H new ATOM 0 HG LEU A 33 -7.114 -1.954 20.378 1.00 2.38 H new ATOM 0 HD11 LEU A 33 -8.221 -4.120 20.904 1.00 3.32 H new ATOM 0 HD12 LEU A 33 -9.272 -2.743 21.309 1.00 3.32 H new ATOM 0 HD13 LEU A 33 -9.574 -3.688 19.832 1.00 3.32 H new ATOM 0 HD21 LEU A 33 -6.624 -3.963 18.981 1.00 2.80 H new ATOM 0 HD22 LEU A 33 -7.946 -3.512 17.878 1.00 2.80 H new ATOM 0 HD23 LEU A 33 -6.511 -2.469 18.021 1.00 2.80 H new ATOM 521 N SER A 34 -7.619 1.006 21.543 1.00 0.02 N ATOM 522 CA SER A 34 -6.715 2.159 21.832 1.00 0.02 C ATOM 523 C SER A 34 -5.332 1.931 21.215 1.00 0.00 C ATOM 524 O SER A 34 -4.513 2.828 21.167 1.00 0.01 O ATOM 525 CB SER A 34 -6.571 2.311 23.345 1.00 0.02 C ATOM 526 OG SER A 34 -5.867 1.190 23.863 1.00 0.02 O ATOM 0 H SER A 34 -7.658 0.297 22.276 1.00 0.02 H new ATOM 0 HA SER A 34 -7.146 3.062 21.399 1.00 0.02 H new ATOM 0 HB2 SER A 34 -6.037 3.231 23.581 1.00 0.02 H new ATOM 0 HB3 SER A 34 -7.554 2.385 23.810 1.00 0.02 H new ATOM 0 HG SER A 34 -5.771 1.284 24.834 1.00 0.02 H new ATOM 532 N ARG A 35 -5.062 0.746 20.744 1.00 0.02 N ATOM 533 CA ARG A 35 -3.736 0.456 20.127 1.00 0.01 C ATOM 534 C ARG A 35 -3.824 -0.918 19.465 1.00 0.02 C ATOM 535 O ARG A 35 -4.711 -1.696 19.759 1.00 0.02 O ATOM 536 CB ARG A 35 -2.653 0.437 21.209 1.00 0.02 C ATOM 537 CG ARG A 35 -3.056 -0.540 22.315 1.00 0.02 C ATOM 538 CD ARG A 35 -1.992 -0.533 23.412 1.00 0.02 C ATOM 539 NE ARG A 35 -0.642 -0.663 22.795 1.00 0.02 N ATOM 540 CZ ARG A 35 0.423 -0.386 23.495 1.00 0.02 C ATOM 541 NH1 ARG A 35 0.308 0.007 24.734 1.00 0.00 N ATOM 542 NH2 ARG A 35 1.605 -0.504 22.957 1.00 0.02 N ATOM 0 H ARG A 35 -5.709 -0.042 20.760 1.00 0.02 H new ATOM 0 HA ARG A 35 -3.480 1.221 19.394 1.00 0.01 H new ATOM 0 HB2 ARG A 35 -1.697 0.140 20.777 1.00 0.02 H new ATOM 0 HB3 ARG A 35 -2.519 1.437 21.623 1.00 0.02 H new ATOM 0 HG2 ARG A 35 -4.024 -0.258 22.730 1.00 0.02 H new ATOM 0 HG3 ARG A 35 -3.166 -1.544 21.906 1.00 0.02 H new ATOM 0 HD2 ARG A 35 -2.053 0.391 23.987 1.00 0.02 H new ATOM 0 HD3 ARG A 35 -2.166 -1.354 24.108 1.00 0.02 H new ATOM 0 HE ARG A 35 -0.551 -0.968 21.826 1.00 0.02 H new ATOM 0 HH11 ARG A 35 -0.616 0.098 25.157 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.142 0.223 25.280 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.696 -0.813 21.989 1.00 0.02 H new ATOM 0 HH22 ARG A 35 2.438 -0.287 23.504 1.00 0.02 H new ATOM 556 N CYS A 36 -2.924 -1.234 18.571 1.00 0.02 N ATOM 557 CA CYS A 36 -2.966 -2.564 17.892 1.00 0.02 C ATOM 558 C CYS A 36 -1.531 -3.056 17.670 1.00 0.02 C ATOM 559 O CYS A 36 -0.776 -2.431 16.951 1.00 0.02 O ATOM 560 CB CYS A 36 -3.675 -2.399 16.545 1.00 0.02 C ATOM 561 SG CYS A 36 -3.303 -3.811 15.479 1.00 0.02 S ATOM 0 H CYS A 36 -2.158 -0.626 18.280 1.00 0.02 H new ATOM 0 HA CYS A 36 -3.503 -3.290 18.503 1.00 0.02 H new ATOM 0 HB2 CYS A 36 -4.751 -2.321 16.698 1.00 0.02 H new ATOM 0 HB3 CYS A 36 -3.353 -1.475 16.065 1.00 0.02 H new ATOM 0 HG CYS A 36 -3.364 -4.908 16.174 1.00 0.02 H new ATOM 567 N ASN A 37 -1.122 -4.146 18.293 1.00 0.02 N ATOM 568 CA ASN A 37 0.292 -4.626 18.117 1.00 0.01 C ATOM 569 C ASN A 37 0.345 -5.928 17.308 1.00 0.02 C ATOM 570 O ASN A 37 1.401 -6.473 17.056 1.00 0.02 O ATOM 571 CB ASN A 37 0.924 -4.865 19.490 1.00 0.02 C ATOM 572 CG ASN A 37 0.787 -3.601 20.341 1.00 0.01 C ATOM 573 OD1 ASN A 37 1.757 -3.111 20.884 1.00 0.03 O ATOM 574 ND2 ASN A 37 -0.386 -3.046 20.478 1.00 0.02 N ATOM 0 H ASN A 37 -1.701 -4.717 18.909 1.00 0.02 H new ATOM 0 HA ASN A 37 0.843 -3.859 17.573 1.00 0.01 H new ATOM 0 HB2 ASN A 37 0.436 -5.705 19.986 1.00 0.02 H new ATOM 0 HB3 ASN A 37 1.976 -5.128 19.377 1.00 0.02 H new ATOM 0 HD21 ASN A 37 -0.488 -2.201 21.041 1.00 0.02 H new ATOM 0 HD22 ASN A 37 -1.201 -3.457 20.022 1.00 0.02 H new ATOM 581 N SER A 38 -0.790 -6.414 16.876 1.00 0.02 N ATOM 582 CA SER A 38 -0.824 -7.664 16.057 1.00 0.02 C ATOM 583 C SER A 38 -2.117 -7.665 15.245 1.00 0.01 C ATOM 584 O SER A 38 -3.084 -7.020 15.605 1.00 0.02 O ATOM 585 CB SER A 38 -0.764 -8.898 16.956 1.00 0.01 C ATOM 586 OG SER A 38 -1.305 -10.013 16.260 1.00 0.02 O ATOM 0 H SER A 38 -1.702 -5.995 17.057 1.00 0.02 H new ATOM 0 HA SER A 38 0.039 -7.695 15.392 1.00 0.02 H new ATOM 0 HB2 SER A 38 0.267 -9.101 17.246 1.00 0.01 H new ATOM 0 HB3 SER A 38 -1.324 -8.721 17.874 1.00 0.01 H new ATOM 0 HG SER A 38 -0.788 -10.171 15.443 1.00 0.02 H new ATOM 592 N ILE A 39 -2.138 -8.353 14.130 1.00 0.02 N ATOM 593 CA ILE A 39 -3.371 -8.352 13.281 1.00 0.02 C ATOM 594 C ILE A 39 -3.558 -9.697 12.581 1.00 0.02 C ATOM 595 O ILE A 39 -2.617 -10.347 12.163 1.00 0.02 O ATOM 596 CB ILE A 39 -3.230 -7.271 12.205 1.00 0.00 C ATOM 597 CG1 ILE A 39 -2.772 -5.967 12.857 1.00 0.01 C ATOM 598 CG2 ILE A 39 -4.577 -7.049 11.510 1.00 0.01 C ATOM 599 CD1 ILE A 39 -2.800 -4.835 11.828 1.00 0.00 C ATOM 0 H ILE A 39 -1.362 -8.911 13.773 1.00 0.02 H new ATOM 0 HA ILE A 39 -4.230 -8.162 13.924 1.00 0.02 H new ATOM 0 HB ILE A 39 -2.495 -7.591 11.466 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.421 -5.723 13.698 1.00 0.01 H new ATOM 0 HG13 ILE A 39 -1.764 -6.083 13.256 1.00 0.01 H new ATOM 0 HG21 ILE A 39 -4.470 -6.279 10.746 1.00 0.01 H new ATOM 0 HG22 ILE A 39 -4.904 -7.979 11.045 1.00 0.01 H new ATOM 0 HG23 ILE A 39 -5.317 -6.731 12.244 1.00 0.01 H new ATOM 0 HD11 ILE A 39 -2.473 -3.908 12.298 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.132 -5.078 11.001 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.815 -4.712 11.450 1.00 0.00 H new ATOM 611 N ARG A 40 -4.800 -10.077 12.394 1.00 0.02 N ATOM 612 CA ARG A 40 -5.123 -11.335 11.657 1.00 0.02 C ATOM 613 C ARG A 40 -6.027 -10.963 10.480 1.00 0.01 C ATOM 614 O ARG A 40 -7.088 -10.401 10.665 1.00 0.02 O ATOM 615 CB ARG A 40 -5.853 -12.342 12.548 1.00 0.01 C ATOM 616 CG ARG A 40 -5.955 -13.685 11.821 1.00 0.02 C ATOM 617 CD ARG A 40 -6.859 -14.628 12.617 1.00 0.02 C ATOM 618 NE ARG A 40 -6.593 -14.463 14.073 1.00 0.02 N ATOM 619 CZ ARG A 40 -7.443 -14.927 14.947 1.00 0.02 C ATOM 620 NH1 ARG A 40 -8.530 -15.528 14.545 1.00 0.02 N ATOM 621 NH2 ARG A 40 -7.209 -14.788 16.225 1.00 0.02 N ATOM 0 H ARG A 40 -5.613 -9.559 12.727 1.00 0.02 H new ATOM 0 HA ARG A 40 -4.196 -11.800 11.323 1.00 0.02 H new ATOM 0 HB2 ARG A 40 -5.318 -12.466 13.490 1.00 0.01 H new ATOM 0 HB3 ARG A 40 -6.849 -11.972 12.793 1.00 0.01 H new ATOM 0 HG2 ARG A 40 -6.357 -13.538 10.819 1.00 0.02 H new ATOM 0 HG3 ARG A 40 -4.964 -14.125 11.706 1.00 0.02 H new ATOM 0 HD2 ARG A 40 -7.906 -14.413 12.401 1.00 0.02 H new ATOM 0 HD3 ARG A 40 -6.678 -15.660 12.318 1.00 0.02 H new ATOM 0 HE ARG A 40 -5.747 -13.988 14.387 1.00 0.02 H new ATOM 0 HH11 ARG A 40 -8.715 -15.635 13.548 1.00 0.02 H new ATOM 0 HH12 ARG A 40 -9.195 -15.891 15.228 1.00 0.02 H new ATOM 0 HH21 ARG A 40 -6.361 -14.316 16.540 1.00 0.02 H new ATOM 0 HH22 ARG A 40 -7.874 -15.151 16.908 1.00 0.02 H new ATOM 635 N VAL A 41 -5.645 -11.310 9.282 1.00 0.02 N ATOM 636 CA VAL A 41 -6.514 -11.027 8.098 1.00 0.01 C ATOM 637 C VAL A 41 -7.110 -12.364 7.665 1.00 0.02 C ATOM 638 O VAL A 41 -6.401 -13.268 7.274 1.00 0.02 O ATOM 639 CB VAL A 41 -5.683 -10.407 6.975 1.00 0.01 C ATOM 640 CG1 VAL A 41 -6.607 -10.026 5.816 1.00 0.02 C ATOM 641 CG2 VAL A 41 -4.997 -9.141 7.499 1.00 0.00 C ATOM 0 H VAL A 41 -4.765 -11.780 9.068 1.00 0.02 H new ATOM 0 HA VAL A 41 -7.304 -10.317 8.342 1.00 0.01 H new ATOM 0 HB VAL A 41 -4.935 -11.123 6.634 1.00 0.01 H new ATOM 0 HG11 VAL A 41 -6.019 -9.583 5.012 1.00 0.02 H new ATOM 0 HG12 VAL A 41 -7.114 -10.918 5.446 1.00 0.02 H new ATOM 0 HG13 VAL A 41 -7.348 -9.306 6.163 1.00 0.02 H new ATOM 0 HG21 VAL A 41 -4.402 -8.693 6.703 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.752 -8.429 7.832 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.348 -9.399 8.336 1.00 0.00 H new ATOM 651 N GLU A 42 -8.406 -12.508 7.774 1.00 0.01 N ATOM 652 CA GLU A 42 -9.045 -13.808 7.414 1.00 0.01 C ATOM 653 C GLU A 42 -9.296 -13.875 5.912 1.00 0.02 C ATOM 654 O GLU A 42 -9.226 -14.930 5.313 1.00 0.01 O ATOM 655 CB GLU A 42 -10.370 -13.956 8.166 1.00 0.99 C ATOM 656 CG GLU A 42 -10.109 -13.926 9.675 1.00 1.86 C ATOM 657 CD GLU A 42 -9.730 -12.507 10.102 1.00 3.10 C ATOM 658 OE1 GLU A 42 -10.513 -11.604 9.851 1.00 3.67 O ATOM 659 OE2 GLU A 42 -8.664 -12.345 10.675 1.00 3.81 O ATOM 0 H GLU A 42 -9.047 -11.783 8.096 1.00 0.01 H new ATOM 0 HA GLU A 42 -8.375 -14.620 7.695 1.00 0.01 H new ATOM 0 HB2 GLU A 42 -11.050 -13.151 7.888 1.00 0.99 H new ATOM 0 HB3 GLU A 42 -10.855 -14.892 7.889 1.00 0.99 H new ATOM 0 HG2 GLU A 42 -10.998 -14.254 10.215 1.00 1.86 H new ATOM 0 HG3 GLU A 42 -9.308 -14.620 9.930 1.00 1.86 H new ATOM 666 N GLY A 43 -9.595 -12.773 5.290 1.00 0.01 N ATOM 667 CA GLY A 43 -9.854 -12.816 3.830 1.00 0.02 C ATOM 668 C GLY A 43 -9.750 -11.415 3.237 1.00 0.02 C ATOM 669 O GLY A 43 -10.047 -10.433 3.891 1.00 0.02 O ATOM 0 H GLY A 43 -9.671 -11.853 5.725 1.00 0.01 H new ATOM 0 HA2 GLY A 43 -9.137 -13.479 3.345 1.00 0.02 H new ATOM 0 HA3 GLY A 43 -10.846 -13.227 3.641 1.00 0.02 H new ATOM 673 N GLY A 44 -9.353 -11.313 2.001 1.00 0.00 N ATOM 674 CA GLY A 44 -9.249 -9.970 1.370 1.00 0.01 C ATOM 675 C GLY A 44 -7.905 -9.328 1.716 1.00 0.01 C ATOM 676 O GLY A 44 -7.152 -9.825 2.531 1.00 0.01 O ATOM 0 H GLY A 44 -9.097 -12.098 1.402 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.350 -10.059 0.288 1.00 0.01 H new ATOM 0 HA3 GLY A 44 -10.064 -9.334 1.715 1.00 0.01 H new ATOM 680 N THR A 45 -7.631 -8.196 1.124 1.00 0.01 N ATOM 681 CA THR A 45 -6.365 -7.450 1.428 1.00 0.00 C ATOM 682 C THR A 45 -6.748 -6.082 1.978 1.00 0.01 C ATOM 683 O THR A 45 -7.688 -5.475 1.514 1.00 0.01 O ATOM 684 CB THR A 45 -5.533 -7.275 0.154 1.00 0.73 C ATOM 685 OG1 THR A 45 -5.054 -8.542 -0.274 1.00 0.88 O ATOM 686 CG2 THR A 45 -4.344 -6.346 0.436 1.00 1.48 C ATOM 0 H THR A 45 -8.234 -7.748 0.434 1.00 0.01 H new ATOM 0 HA THR A 45 -5.770 -8.005 2.154 1.00 0.00 H new ATOM 0 HB THR A 45 -6.155 -6.837 -0.627 1.00 0.73 H new ATOM 0 HG1 THR A 45 -5.806 -9.165 -0.358 1.00 0.88 H new ATOM 0 HG21 THR A 45 -3.754 -6.224 -0.473 1.00 1.48 H new ATOM 0 HG22 THR A 45 -4.712 -5.374 0.763 1.00 1.48 H new ATOM 0 HG23 THR A 45 -3.720 -6.780 1.218 1.00 1.48 H new ATOM 694 N TRP A 46 -6.086 -5.618 3.011 1.00 0.02 N ATOM 695 CA TRP A 46 -6.480 -4.310 3.629 1.00 0.01 C ATOM 696 C TRP A 46 -5.308 -3.336 3.724 1.00 0.01 C ATOM 697 O TRP A 46 -4.157 -3.704 3.850 1.00 0.01 O ATOM 698 CB TRP A 46 -6.998 -4.579 5.043 1.00 0.00 C ATOM 699 CG TRP A 46 -8.306 -5.297 4.967 1.00 0.01 C ATOM 700 CD1 TRP A 46 -8.466 -6.585 4.585 1.00 0.01 C ATOM 701 CD2 TRP A 46 -9.636 -4.791 5.269 1.00 0.01 C ATOM 702 NE1 TRP A 46 -9.811 -6.902 4.634 1.00 0.00 N ATOM 703 CE2 TRP A 46 -10.573 -5.829 5.051 1.00 0.01 C ATOM 704 CE3 TRP A 46 -10.116 -3.546 5.709 1.00 0.01 C ATOM 705 CZ2 TRP A 46 -11.936 -5.638 5.260 1.00 0.01 C ATOM 706 CZ3 TRP A 46 -11.489 -3.350 5.919 1.00 0.02 C ATOM 707 CH2 TRP A 46 -12.397 -4.394 5.696 1.00 0.01 C ATOM 0 H TRP A 46 -5.294 -6.085 3.452 1.00 0.02 H new ATOM 0 HA TRP A 46 -7.243 -3.857 2.996 1.00 0.01 H new ATOM 0 HB2 TRP A 46 -6.275 -5.176 5.599 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -7.118 -3.640 5.583 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -7.673 -7.256 4.290 1.00 0.01 H new ATOM 0 HE1 TRP A 46 -10.193 -7.816 4.392 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -9.424 -2.736 5.886 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 -12.632 -6.446 5.086 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 -11.849 -2.389 6.255 1.00 0.02 H new ATOM 0 HH2 TRP A 46 -13.453 -4.237 5.861 1.00 0.01 H new ATOM 718 N ALA A 47 -5.640 -2.072 3.734 1.00 0.01 N ATOM 719 CA ALA A 47 -4.624 -0.996 3.900 1.00 0.01 C ATOM 720 C ALA A 47 -4.850 -0.452 5.304 1.00 0.01 C ATOM 721 O ALA A 47 -5.968 -0.177 5.690 1.00 0.01 O ATOM 722 CB ALA A 47 -4.841 0.103 2.859 1.00 0.24 C ATOM 0 H ALA A 47 -6.597 -1.735 3.631 1.00 0.01 H new ATOM 0 HA ALA A 47 -3.608 -1.365 3.764 1.00 0.01 H new ATOM 0 HB1 ALA A 47 -4.091 0.883 2.992 1.00 0.24 H new ATOM 0 HB2 ALA A 47 -4.751 -0.320 1.859 1.00 0.24 H new ATOM 0 HB3 ALA A 47 -5.836 0.531 2.983 1.00 0.24 H new ATOM 728 N VAL A 48 -3.798 -0.279 6.065 1.00 0.01 N ATOM 729 CA VAL A 48 -3.939 0.268 7.453 1.00 0.02 C ATOM 730 C VAL A 48 -3.209 1.603 7.546 1.00 0.01 C ATOM 731 O VAL A 48 -2.157 1.776 6.963 1.00 0.01 O ATOM 732 CB VAL A 48 -3.356 -0.721 8.465 1.00 0.09 C ATOM 733 CG1 VAL A 48 -4.171 -2.014 8.442 1.00 0.48 C ATOM 734 CG2 VAL A 48 -1.903 -1.031 8.099 1.00 0.65 C ATOM 0 H VAL A 48 -2.841 -0.494 5.784 1.00 0.01 H new ATOM 0 HA VAL A 48 -4.995 0.418 7.679 1.00 0.02 H new ATOM 0 HB VAL A 48 -3.395 -0.283 9.462 1.00 0.09 H new ATOM 0 HG11 VAL A 48 -3.756 -2.719 9.163 1.00 0.48 H new ATOM 0 HG12 VAL A 48 -5.207 -1.796 8.703 1.00 0.48 H new ATOM 0 HG13 VAL A 48 -4.132 -2.451 7.444 1.00 0.48 H new ATOM 0 HG21 VAL A 48 -1.488 -1.735 8.820 1.00 0.65 H new ATOM 0 HG22 VAL A 48 -1.864 -1.468 7.101 1.00 0.65 H new ATOM 0 HG23 VAL A 48 -1.320 -0.110 8.114 1.00 0.65 H new ATOM 744 N TYR A 49 -3.760 2.553 8.269 1.00 0.01 N ATOM 745 CA TYR A 49 -3.102 3.893 8.398 1.00 0.01 C ATOM 746 C TYR A 49 -2.814 4.184 9.868 1.00 0.01 C ATOM 747 O TYR A 49 -3.560 3.819 10.760 1.00 0.02 O ATOM 748 CB TYR A 49 -4.025 4.965 7.820 1.00 0.01 C ATOM 749 CG TYR A 49 -4.171 4.743 6.334 1.00 0.00 C ATOM 750 CD1 TYR A 49 -4.991 3.714 5.858 1.00 0.01 C ATOM 751 CD2 TYR A 49 -3.483 5.564 5.429 1.00 0.01 C ATOM 752 CE1 TYR A 49 -5.126 3.504 4.481 1.00 0.01 C ATOM 753 CE2 TYR A 49 -3.617 5.354 4.052 1.00 0.01 C ATOM 754 CZ TYR A 49 -4.438 4.324 3.578 1.00 0.02 C ATOM 755 OH TYR A 49 -4.571 4.117 2.222 1.00 0.01 O ATOM 0 H TYR A 49 -4.640 2.456 8.776 1.00 0.01 H new ATOM 0 HA TYR A 49 -2.161 3.895 7.848 1.00 0.01 H new ATOM 0 HB2 TYR A 49 -5.001 4.922 8.304 1.00 0.01 H new ATOM 0 HB3 TYR A 49 -3.617 5.957 8.014 1.00 0.01 H new ATOM 0 HD1 TYR A 49 -5.521 3.081 6.554 1.00 0.01 H new ATOM 0 HD2 TYR A 49 -2.850 6.359 5.795 1.00 0.01 H new ATOM 0 HE1 TYR A 49 -5.760 2.710 4.115 1.00 0.01 H new ATOM 0 HE2 TYR A 49 -3.087 5.986 3.355 1.00 0.01 H new ATOM 0 HH TYR A 49 -4.234 4.899 1.737 1.00 0.01 H new ATOM 765 N GLU A 50 -1.695 4.815 10.105 1.00 0.01 N ATOM 766 CA GLU A 50 -1.246 5.122 11.494 1.00 0.01 C ATOM 767 C GLU A 50 -2.198 6.091 12.197 1.00 0.01 C ATOM 768 O GLU A 50 -2.378 6.012 13.396 1.00 0.02 O ATOM 769 CB GLU A 50 0.146 5.753 11.418 1.00 0.02 C ATOM 770 CG GLU A 50 0.763 5.810 12.818 1.00 0.01 C ATOM 771 CD GLU A 50 2.221 6.262 12.715 1.00 0.02 C ATOM 772 OE1 GLU A 50 2.446 7.459 12.625 1.00 0.02 O ATOM 773 OE2 GLU A 50 3.090 5.405 12.728 1.00 0.01 O ATOM 0 H GLU A 50 -1.059 5.138 9.376 1.00 0.01 H new ATOM 0 HA GLU A 50 -1.231 4.196 12.069 1.00 0.01 H new ATOM 0 HB2 GLU A 50 0.784 5.171 10.752 1.00 0.02 H new ATOM 0 HB3 GLU A 50 0.079 6.757 10.998 1.00 0.02 H new ATOM 0 HG2 GLU A 50 0.201 6.500 13.447 1.00 0.01 H new ATOM 0 HG3 GLU A 50 0.708 4.830 13.292 1.00 0.01 H new ATOM 780 N ARG A 51 -2.790 7.023 11.485 1.00 0.02 N ATOM 781 CA ARG A 51 -3.705 8.012 12.149 1.00 0.02 C ATOM 782 C ARG A 51 -5.084 7.985 11.457 1.00 0.01 C ATOM 783 O ARG A 51 -5.192 7.568 10.316 1.00 0.02 O ATOM 784 CB ARG A 51 -3.065 9.414 12.004 1.00 0.02 C ATOM 785 CG ARG A 51 -2.223 9.747 13.251 1.00 0.01 C ATOM 786 CD ARG A 51 -1.143 10.772 12.894 1.00 0.02 C ATOM 787 NE ARG A 51 -0.061 10.099 12.122 1.00 0.02 N ATOM 788 CZ ARG A 51 0.808 10.813 11.459 1.00 0.02 C ATOM 789 NH1 ARG A 51 0.729 12.114 11.475 1.00 0.02 N ATOM 790 NH2 ARG A 51 1.757 10.227 10.782 1.00 0.01 N ATOM 0 H ARG A 51 -2.681 7.142 10.478 1.00 0.02 H new ATOM 0 HA ARG A 51 -3.843 7.766 13.202 1.00 0.02 H new ATOM 0 HB2 ARG A 51 -2.437 9.445 11.114 1.00 0.02 H new ATOM 0 HB3 ARG A 51 -3.844 10.165 11.871 1.00 0.02 H new ATOM 0 HG2 ARG A 51 -2.865 10.142 14.039 1.00 0.01 H new ATOM 0 HG3 ARG A 51 -1.761 8.840 13.641 1.00 0.01 H new ATOM 0 HD2 ARG A 51 -1.575 11.582 12.306 1.00 0.02 H new ATOM 0 HD3 ARG A 51 -0.735 11.218 13.801 1.00 0.02 H new ATOM 0 HE ARG A 51 0.001 9.081 12.111 1.00 0.02 H new ATOM 0 HH11 ARG A 51 -0.011 12.573 12.005 1.00 0.02 H new ATOM 0 HH12 ARG A 51 1.408 12.673 10.957 1.00 0.02 H new ATOM 0 HH21 ARG A 51 1.821 9.209 10.770 1.00 0.01 H new ATOM 0 HH22 ARG A 51 2.435 10.787 10.265 1.00 0.01 H new ATOM 804 N PRO A 52 -6.130 8.427 12.145 1.00 0.02 N ATOM 805 CA PRO A 52 -7.507 8.430 11.566 1.00 0.02 C ATOM 806 C PRO A 52 -7.577 9.136 10.209 1.00 0.01 C ATOM 807 O PRO A 52 -6.689 9.860 9.807 1.00 0.02 O ATOM 808 CB PRO A 52 -8.330 9.177 12.642 1.00 0.02 C ATOM 809 CG PRO A 52 -7.373 9.630 13.761 1.00 0.01 C ATOM 810 CD PRO A 52 -6.015 8.944 13.542 1.00 0.01 C ATOM 0 HA PRO A 52 -7.874 7.425 11.356 1.00 0.02 H new ATOM 0 HB2 PRO A 52 -8.834 10.038 12.203 1.00 0.02 H new ATOM 0 HB3 PRO A 52 -9.105 8.526 13.047 1.00 0.02 H new ATOM 0 HG2 PRO A 52 -7.258 10.714 13.746 1.00 0.01 H new ATOM 0 HG3 PRO A 52 -7.779 9.366 14.738 1.00 0.01 H new ATOM 0 HD2 PRO A 52 -5.186 9.644 13.648 1.00 0.01 H new ATOM 0 HD3 PRO A 52 -5.847 8.140 14.259 1.00 0.01 H new ATOM 818 N ASN A 53 -8.674 8.932 9.529 1.00 0.02 N ATOM 819 CA ASN A 53 -8.896 9.585 8.212 1.00 0.02 C ATOM 820 C ASN A 53 -7.868 9.113 7.185 1.00 0.01 C ATOM 821 O ASN A 53 -7.418 9.860 6.339 1.00 0.01 O ATOM 822 CB ASN A 53 -8.810 11.104 8.387 1.00 0.01 C ATOM 823 CG ASN A 53 -9.468 11.501 9.710 1.00 0.02 C ATOM 824 OD1 ASN A 53 -10.350 10.819 10.193 1.00 0.02 O ATOM 825 ND2 ASN A 53 -9.074 12.584 10.321 1.00 0.01 N ATOM 0 H ASN A 53 -9.437 8.330 9.839 1.00 0.02 H new ATOM 0 HA ASN A 53 -9.884 9.311 7.843 1.00 0.02 H new ATOM 0 HB2 ASN A 53 -7.768 11.424 8.376 1.00 0.01 H new ATOM 0 HB3 ASN A 53 -9.306 11.606 7.556 1.00 0.01 H new ATOM 0 HD21 ASN A 53 -9.506 12.858 11.203 1.00 0.01 H new ATOM 0 HD22 ASN A 53 -8.334 13.157 9.916 1.00 0.01 H new ATOM 832 N PHE A 54 -7.518 7.855 7.246 1.00 0.02 N ATOM 833 CA PHE A 54 -6.548 7.282 6.275 1.00 0.01 C ATOM 834 C PHE A 54 -5.354 8.222 6.088 1.00 0.01 C ATOM 835 O PHE A 54 -4.994 8.581 4.984 1.00 0.02 O ATOM 836 CB PHE A 54 -7.258 7.049 4.932 1.00 1.78 C ATOM 837 CG PHE A 54 -8.704 6.665 5.175 1.00 2.32 C ATOM 838 CD1 PHE A 54 -9.008 5.477 5.852 1.00 2.53 C ATOM 839 CD2 PHE A 54 -9.739 7.494 4.720 1.00 2.77 C ATOM 840 CE1 PHE A 54 -10.344 5.121 6.074 1.00 3.03 C ATOM 841 CE2 PHE A 54 -11.073 7.136 4.942 1.00 3.32 C ATOM 842 CZ PHE A 54 -11.376 5.949 5.618 1.00 3.39 C ATOM 0 H PHE A 54 -7.870 7.194 7.938 1.00 0.02 H new ATOM 0 HA PHE A 54 -6.174 6.333 6.659 1.00 0.01 H new ATOM 0 HB2 PHE A 54 -7.209 7.952 4.323 1.00 1.78 H new ATOM 0 HB3 PHE A 54 -6.752 6.261 4.375 1.00 1.78 H new ATOM 0 HD1 PHE A 54 -8.213 4.836 6.203 1.00 2.53 H new ATOM 0 HD2 PHE A 54 -9.506 8.410 4.197 1.00 2.77 H new ATOM 0 HE1 PHE A 54 -10.578 4.206 6.598 1.00 3.03 H new ATOM 0 HE2 PHE A 54 -11.869 7.776 4.592 1.00 3.32 H new ATOM 0 HZ PHE A 54 -12.406 5.672 5.788 1.00 3.39 H new ATOM 852 N SER A 55 -4.743 8.618 7.181 1.00 0.02 N ATOM 853 CA SER A 55 -3.560 9.542 7.113 1.00 0.02 C ATOM 854 C SER A 55 -2.375 8.934 7.872 1.00 0.01 C ATOM 855 O SER A 55 -2.531 8.011 8.647 1.00 0.01 O ATOM 856 CB SER A 55 -3.933 10.882 7.751 1.00 1.90 C ATOM 857 OG SER A 55 -2.746 11.582 8.102 1.00 2.33 O ATOM 0 H SER A 55 -5.014 8.340 8.124 1.00 0.02 H new ATOM 0 HA SER A 55 -3.279 9.690 6.070 1.00 0.02 H new ATOM 0 HB2 SER A 55 -4.527 11.476 7.056 1.00 1.90 H new ATOM 0 HB3 SER A 55 -4.547 10.718 8.636 1.00 1.90 H new ATOM 0 HG SER A 55 -2.982 12.442 8.509 1.00 2.33 H new ATOM 863 N GLY A 56 -1.185 9.438 7.648 1.00 0.02 N ATOM 864 CA GLY A 56 0.017 8.886 8.346 1.00 0.02 C ATOM 865 C GLY A 56 0.612 7.733 7.527 1.00 0.02 C ATOM 866 O GLY A 56 0.348 7.602 6.348 1.00 0.00 O ATOM 0 H GLY A 56 -0.995 10.210 7.010 1.00 0.02 H new ATOM 0 HA2 GLY A 56 0.762 9.670 8.481 1.00 0.02 H new ATOM 0 HA3 GLY A 56 -0.259 8.533 9.340 1.00 0.02 H new ATOM 870 N HIS A 57 1.427 6.908 8.131 1.00 0.02 N ATOM 871 CA HIS A 57 2.050 5.787 7.365 1.00 0.02 C ATOM 872 C HIS A 57 0.970 4.825 6.874 1.00 0.01 C ATOM 873 O HIS A 57 0.072 4.476 7.611 1.00 0.01 O ATOM 874 CB HIS A 57 3.023 5.031 8.272 1.00 0.00 C ATOM 875 CG HIS A 57 4.248 5.872 8.511 1.00 0.01 C ATOM 876 ND1 HIS A 57 5.248 6.006 7.562 1.00 0.01 N ATOM 877 CD2 HIS A 57 4.650 6.622 9.588 1.00 0.01 C ATOM 878 CE1 HIS A 57 6.196 6.808 8.082 1.00 0.02 C ATOM 879 NE2 HIS A 57 5.880 7.212 9.316 1.00 0.01 N ATOM 0 H HIS A 57 1.687 6.961 9.116 1.00 0.02 H new ATOM 0 HA HIS A 57 2.584 6.196 6.507 1.00 0.02 H new ATOM 0 HB2 HIS A 57 2.542 4.794 9.221 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.304 4.084 7.811 1.00 0.00 H new ATOM 0 HD2 HIS A 57 4.095 6.737 10.508 1.00 0.01 H new ATOM 0 HE1 HIS A 57 7.101 7.090 7.565 1.00 0.02 H new ATOM 0 HE2 HIS A 57 6.424 7.822 9.927 1.00 0.01 H new ATOM 887 N MET A 58 1.063 4.387 5.637 1.00 0.02 N ATOM 888 CA MET A 58 0.049 3.432 5.078 1.00 0.02 C ATOM 889 C MET A 58 0.745 2.121 4.683 1.00 0.01 C ATOM 890 O MET A 58 1.804 2.121 4.087 1.00 0.01 O ATOM 891 CB MET A 58 -0.605 4.057 3.843 1.00 2.61 C ATOM 892 CG MET A 58 0.429 4.187 2.719 1.00 3.46 C ATOM 893 SD MET A 58 -0.163 5.378 1.490 1.00 4.50 S ATOM 894 CE MET A 58 -1.392 4.306 0.705 1.00 5.01 C ATOM 0 H MET A 58 1.803 4.652 4.987 1.00 0.02 H new ATOM 0 HA MET A 58 -0.713 3.224 5.829 1.00 0.02 H new ATOM 0 HB2 MET A 58 -1.441 3.441 3.511 1.00 2.61 H new ATOM 0 HB3 MET A 58 -1.011 5.038 4.092 1.00 2.61 H new ATOM 0 HG2 MET A 58 1.386 4.514 3.126 1.00 3.46 H new ATOM 0 HG3 MET A 58 0.596 3.217 2.250 1.00 3.46 H new ATOM 0 HE1 MET A 58 -1.863 4.838 -0.122 1.00 5.01 H new ATOM 0 HE2 MET A 58 -0.903 3.408 0.327 1.00 5.01 H new ATOM 0 HE3 MET A 58 -2.151 4.026 1.436 1.00 5.01 H new ATOM 904 N TYR A 59 0.152 1.006 5.023 1.00 0.02 N ATOM 905 CA TYR A 59 0.754 -0.329 4.691 1.00 0.01 C ATOM 906 C TYR A 59 -0.340 -1.259 4.147 1.00 0.01 C ATOM 907 O TYR A 59 -1.454 -1.278 4.625 1.00 0.02 O ATOM 908 CB TYR A 59 1.352 -0.943 5.966 1.00 0.01 C ATOM 909 CG TYR A 59 2.748 -0.403 6.185 1.00 0.01 C ATOM 910 CD1 TYR A 59 3.832 -0.985 5.516 1.00 0.01 C ATOM 911 CD2 TYR A 59 2.956 0.678 7.048 1.00 0.01 C ATOM 912 CE1 TYR A 59 5.124 -0.485 5.710 1.00 0.02 C ATOM 913 CE2 TYR A 59 4.251 1.176 7.244 1.00 0.01 C ATOM 914 CZ TYR A 59 5.333 0.595 6.574 1.00 0.01 C ATOM 915 OH TYR A 59 6.609 1.088 6.763 1.00 0.01 O ATOM 0 H TYR A 59 -0.736 0.959 5.523 1.00 0.02 H new ATOM 0 HA TYR A 59 1.534 -0.204 3.940 1.00 0.01 H new ATOM 0 HB2 TYR A 59 0.722 -0.709 6.824 1.00 0.01 H new ATOM 0 HB3 TYR A 59 1.381 -2.029 5.879 1.00 0.01 H new ATOM 0 HD1 TYR A 59 3.670 -1.820 4.850 1.00 0.01 H new ATOM 0 HD2 TYR A 59 2.120 1.128 7.562 1.00 0.01 H new ATOM 0 HE1 TYR A 59 5.960 -0.933 5.193 1.00 0.02 H new ATOM 0 HE2 TYR A 59 4.414 2.009 7.912 1.00 0.01 H new ATOM 0 HH TYR A 59 6.605 2.061 6.644 1.00 0.01 H new ATOM 925 N ILE A 60 -0.001 -2.048 3.153 1.00 0.02 N ATOM 926 CA ILE A 60 -0.982 -3.012 2.561 1.00 0.01 C ATOM 927 C ILE A 60 -0.766 -4.388 3.206 1.00 0.01 C ATOM 928 O ILE A 60 0.352 -4.848 3.328 1.00 0.01 O ATOM 929 CB ILE A 60 -0.770 -3.104 1.042 1.00 0.45 C ATOM 930 CG1 ILE A 60 -1.302 -1.832 0.368 1.00 1.35 C ATOM 931 CG2 ILE A 60 -1.532 -4.317 0.489 1.00 1.21 C ATOM 932 CD1 ILE A 60 -0.596 -0.596 0.934 1.00 1.72 C ATOM 0 H ILE A 60 0.924 -2.064 2.723 1.00 0.02 H new ATOM 0 HA ILE A 60 -2.000 -2.671 2.750 1.00 0.01 H new ATOM 0 HB ILE A 60 0.295 -3.211 0.836 1.00 0.45 H new ATOM 0 HG12 ILE A 60 -1.143 -1.889 -0.709 1.00 1.35 H new ATOM 0 HG13 ILE A 60 -2.377 -1.750 0.527 1.00 1.35 H new ATOM 0 HG21 ILE A 60 -1.381 -4.381 -0.589 1.00 1.21 H new ATOM 0 HG22 ILE A 60 -1.161 -5.226 0.962 1.00 1.21 H new ATOM 0 HG23 ILE A 60 -2.596 -4.206 0.700 1.00 1.21 H new ATOM 0 HD11 ILE A 60 -0.983 0.299 0.447 1.00 1.72 H new ATOM 0 HD12 ILE A 60 -0.778 -0.533 2.007 1.00 1.72 H new ATOM 0 HD13 ILE A 60 0.476 -0.674 0.751 1.00 1.72 H new ATOM 944 N LEU A 61 -1.825 -5.042 3.629 1.00 0.01 N ATOM 945 CA LEU A 61 -1.680 -6.388 4.280 1.00 0.01 C ATOM 946 C LEU A 61 -2.529 -7.444 3.531 1.00 0.01 C ATOM 947 O LEU A 61 -3.741 -7.398 3.597 1.00 0.00 O ATOM 948 CB LEU A 61 -2.183 -6.298 5.733 1.00 0.01 C ATOM 949 CG LEU A 61 -1.074 -5.779 6.667 1.00 0.02 C ATOM 950 CD1 LEU A 61 -1.653 -5.625 8.076 1.00 0.01 C ATOM 951 CD2 LEU A 61 0.121 -6.767 6.700 1.00 0.01 C ATOM 0 H LEU A 61 -2.784 -4.702 3.552 1.00 0.01 H new ATOM 0 HA LEU A 61 -0.631 -6.682 4.252 1.00 0.01 H new ATOM 0 HB2 LEU A 61 -3.046 -5.634 5.783 1.00 0.01 H new ATOM 0 HB3 LEU A 61 -2.516 -7.280 6.068 1.00 0.01 H new ATOM 0 HG LEU A 61 -0.714 -4.819 6.299 1.00 0.02 H new ATOM 0 HD11 LEU A 61 -0.879 -5.258 8.749 1.00 0.01 H new ATOM 0 HD12 LEU A 61 -2.481 -4.916 8.054 1.00 0.01 H new ATOM 0 HD13 LEU A 61 -2.013 -6.591 8.429 1.00 0.01 H new ATOM 0 HD21 LEU A 61 0.893 -6.382 7.366 1.00 0.01 H new ATOM 0 HD22 LEU A 61 -0.219 -7.737 7.062 1.00 0.01 H new ATOM 0 HD23 LEU A 61 0.530 -6.877 5.696 1.00 0.01 H new ATOM 963 N PRO A 62 -1.928 -8.413 2.850 1.00 0.02 N ATOM 964 CA PRO A 62 -2.735 -9.462 2.167 1.00 0.01 C ATOM 965 C PRO A 62 -3.274 -10.471 3.194 1.00 0.00 C ATOM 966 O PRO A 62 -2.906 -10.441 4.352 1.00 0.02 O ATOM 967 CB PRO A 62 -1.711 -10.104 1.217 1.00 1.47 C ATOM 968 CG PRO A 62 -0.303 -9.714 1.705 1.00 1.29 C ATOM 969 CD PRO A 62 -0.445 -8.541 2.696 1.00 0.82 C ATOM 0 HA PRO A 62 -3.614 -9.083 1.646 1.00 0.01 H new ATOM 0 HB2 PRO A 62 -1.825 -11.188 1.209 1.00 1.47 H new ATOM 0 HB3 PRO A 62 -1.870 -9.759 0.195 1.00 1.47 H new ATOM 0 HG2 PRO A 62 0.181 -10.563 2.188 1.00 1.29 H new ATOM 0 HG3 PRO A 62 0.325 -9.426 0.862 1.00 1.29 H new ATOM 0 HD2 PRO A 62 0.043 -8.754 3.647 1.00 0.82 H new ATOM 0 HD3 PRO A 62 0.001 -7.626 2.306 1.00 0.82 H new ATOM 977 N GLN A 63 -4.140 -11.355 2.788 1.00 0.02 N ATOM 978 CA GLN A 63 -4.694 -12.347 3.755 1.00 0.00 C ATOM 979 C GLN A 63 -3.549 -13.042 4.502 1.00 0.00 C ATOM 980 O GLN A 63 -2.525 -13.353 3.925 1.00 0.02 O ATOM 981 CB GLN A 63 -5.517 -13.393 2.989 1.00 1.27 C ATOM 982 CG GLN A 63 -6.339 -14.236 3.971 1.00 1.67 C ATOM 983 CD GLN A 63 -5.418 -15.208 4.709 1.00 2.43 C ATOM 984 OE1 GLN A 63 -5.468 -15.313 5.919 1.00 4.25 O ATOM 985 NE2 GLN A 63 -4.572 -15.929 4.025 1.00 3.04 N ATOM 0 H GLN A 63 -4.488 -11.435 1.833 1.00 0.02 H new ATOM 0 HA GLN A 63 -5.330 -11.834 4.476 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.180 -12.898 2.279 1.00 1.27 H new ATOM 0 HB3 GLN A 63 -4.854 -14.037 2.411 1.00 1.27 H new ATOM 0 HG2 GLN A 63 -6.847 -13.588 4.685 1.00 1.67 H new ATOM 0 HG3 GLN A 63 -7.111 -14.787 3.435 1.00 1.67 H new ATOM 0 HE21 GLN A 63 -4.531 -15.840 3.010 1.00 3.04 H new ATOM 0 HE22 GLN A 63 -3.952 -16.581 4.506 1.00 3.04 H new ATOM 994 N GLY A 64 -3.705 -13.293 5.780 1.00 0.02 N ATOM 995 CA GLY A 64 -2.607 -13.971 6.534 1.00 0.01 C ATOM 996 C GLY A 64 -2.685 -13.639 8.031 1.00 0.02 C ATOM 997 O GLY A 64 -3.564 -12.934 8.487 1.00 0.02 O ATOM 0 H GLY A 64 -4.534 -13.061 6.327 1.00 0.02 H new ATOM 0 HA2 GLY A 64 -2.675 -15.050 6.392 1.00 0.01 H new ATOM 0 HA3 GLY A 64 -1.641 -13.658 6.138 1.00 0.01 H new ATOM 1001 N GLU A 65 -1.755 -14.153 8.797 1.00 0.02 N ATOM 1002 CA GLU A 65 -1.732 -13.894 10.275 1.00 0.02 C ATOM 1003 C GLU A 65 -0.414 -13.211 10.653 1.00 0.02 C ATOM 1004 O GLU A 65 0.657 -13.657 10.292 1.00 0.02 O ATOM 1005 CB GLU A 65 -1.838 -15.238 11.009 1.00 0.77 C ATOM 1006 CG GLU A 65 -1.640 -15.046 12.521 1.00 0.49 C ATOM 1007 CD GLU A 65 -2.603 -13.977 13.045 1.00 0.67 C ATOM 1008 OE1 GLU A 65 -2.320 -12.805 12.854 1.00 0.71 O ATOM 1009 OE2 GLU A 65 -3.605 -14.349 13.634 1.00 0.96 O ATOM 0 H GLU A 65 -1.000 -14.749 8.459 1.00 0.02 H new ATOM 0 HA GLU A 65 -2.564 -13.248 10.554 1.00 0.02 H new ATOM 0 HB2 GLU A 65 -2.813 -15.687 10.819 1.00 0.77 H new ATOM 0 HB3 GLU A 65 -1.088 -15.929 10.624 1.00 0.77 H new ATOM 0 HG2 GLU A 65 -1.812 -15.988 13.041 1.00 0.49 H new ATOM 0 HG3 GLU A 65 -0.611 -14.752 12.727 1.00 0.49 H new ATOM 1016 N TYR A 66 -0.495 -12.138 11.406 1.00 0.02 N ATOM 1017 CA TYR A 66 0.730 -11.411 11.857 1.00 0.02 C ATOM 1018 C TYR A 66 0.714 -11.377 13.398 1.00 0.02 C ATOM 1019 O TYR A 66 0.074 -10.523 13.982 1.00 0.02 O ATOM 1020 CB TYR A 66 0.670 -9.983 11.310 1.00 0.01 C ATOM 1021 CG TYR A 66 0.596 -10.046 9.802 1.00 0.02 C ATOM 1022 CD1 TYR A 66 1.765 -10.217 9.051 1.00 0.01 C ATOM 1023 CD2 TYR A 66 -0.642 -9.948 9.157 1.00 0.02 C ATOM 1024 CE1 TYR A 66 1.697 -10.290 7.655 1.00 0.02 C ATOM 1025 CE2 TYR A 66 -0.710 -10.019 7.759 1.00 0.02 C ATOM 1026 CZ TYR A 66 0.460 -10.192 7.009 1.00 0.02 C ATOM 1027 OH TYR A 66 0.391 -10.264 5.633 1.00 0.01 O ATOM 0 H TYR A 66 -1.373 -11.732 11.730 1.00 0.02 H new ATOM 0 HA TYR A 66 1.637 -11.900 11.502 1.00 0.02 H new ATOM 0 HB2 TYR A 66 -0.199 -9.461 11.710 1.00 0.01 H new ATOM 0 HB3 TYR A 66 1.550 -9.421 11.622 1.00 0.01 H new ATOM 0 HD1 TYR A 66 2.720 -10.293 9.549 1.00 0.01 H new ATOM 0 HD2 TYR A 66 -1.544 -9.818 9.736 1.00 0.02 H new ATOM 0 HE1 TYR A 66 2.599 -10.422 7.077 1.00 0.02 H new ATOM 0 HE2 TYR A 66 -1.665 -9.940 7.260 1.00 0.02 H new ATOM 0 HH TYR A 66 -0.543 -10.179 5.347 1.00 0.01 H new ATOM 1037 N PRO A 67 1.381 -12.306 14.064 1.00 0.01 N ATOM 1038 CA PRO A 67 1.367 -12.338 15.557 1.00 0.02 C ATOM 1039 C PRO A 67 2.047 -11.129 16.219 1.00 0.02 C ATOM 1040 O PRO A 67 2.026 -11.002 17.425 1.00 0.02 O ATOM 1041 CB PRO A 67 2.116 -13.650 15.882 1.00 0.02 C ATOM 1042 CG PRO A 67 2.527 -14.326 14.558 1.00 0.02 C ATOM 1043 CD PRO A 67 2.169 -13.383 13.395 1.00 0.01 C ATOM 0 HA PRO A 67 0.350 -12.293 15.947 1.00 0.02 H new ATOM 0 HB2 PRO A 67 2.997 -13.442 16.489 1.00 0.02 H new ATOM 0 HB3 PRO A 67 1.478 -14.315 16.464 1.00 0.02 H new ATOM 0 HG2 PRO A 67 3.596 -14.539 14.557 1.00 0.02 H new ATOM 0 HG3 PRO A 67 2.012 -15.280 14.444 1.00 0.02 H new ATOM 0 HD2 PRO A 67 3.060 -12.987 12.908 1.00 0.01 H new ATOM 0 HD3 PRO A 67 1.586 -13.892 12.628 1.00 0.01 H new ATOM 1051 N GLU A 68 2.628 -10.230 15.469 1.00 0.01 N ATOM 1052 CA GLU A 68 3.274 -9.045 16.109 1.00 0.01 C ATOM 1053 C GLU A 68 3.364 -7.932 15.065 1.00 0.03 C ATOM 1054 O GLU A 68 3.340 -8.168 13.875 1.00 0.02 O ATOM 1055 CB GLU A 68 4.689 -9.401 16.584 1.00 0.69 C ATOM 1056 CG GLU A 68 4.621 -10.377 17.759 1.00 1.09 C ATOM 1057 CD GLU A 68 5.986 -10.450 18.446 1.00 1.35 C ATOM 1058 OE1 GLU A 68 6.568 -9.402 18.675 1.00 1.55 O ATOM 1059 OE2 GLU A 68 6.426 -11.551 18.731 1.00 2.02 O ATOM 0 H GLU A 68 2.684 -10.263 14.451 1.00 0.01 H new ATOM 0 HA GLU A 68 2.686 -8.726 16.969 1.00 0.01 H new ATOM 0 HB2 GLU A 68 5.255 -9.845 15.765 1.00 0.69 H new ATOM 0 HB3 GLU A 68 5.219 -8.496 16.883 1.00 0.69 H new ATOM 0 HG2 GLU A 68 3.862 -10.053 18.470 1.00 1.09 H new ATOM 0 HG3 GLU A 68 4.327 -11.366 17.407 1.00 1.09 H new ATOM 1066 N TYR A 69 3.416 -6.712 15.516 1.00 0.02 N ATOM 1067 CA TYR A 69 3.440 -5.567 14.566 1.00 0.02 C ATOM 1068 C TYR A 69 4.664 -5.612 13.643 1.00 0.01 C ATOM 1069 O TYR A 69 4.579 -5.295 12.474 1.00 0.01 O ATOM 1070 CB TYR A 69 3.369 -4.246 15.348 1.00 0.02 C ATOM 1071 CG TYR A 69 4.726 -3.879 15.907 1.00 0.02 C ATOM 1072 CD1 TYR A 69 5.679 -3.269 15.082 1.00 0.02 C ATOM 1073 CD2 TYR A 69 5.025 -4.136 17.250 1.00 0.02 C ATOM 1074 CE1 TYR A 69 6.931 -2.919 15.601 1.00 0.02 C ATOM 1075 CE2 TYR A 69 6.277 -3.783 17.770 1.00 0.02 C ATOM 1076 CZ TYR A 69 7.230 -3.176 16.946 1.00 0.02 C ATOM 1077 OH TYR A 69 8.465 -2.828 17.456 1.00 0.01 O ATOM 0 H TYR A 69 3.443 -6.457 16.503 1.00 0.02 H new ATOM 0 HA TYR A 69 2.566 -5.639 13.918 1.00 0.02 H new ATOM 0 HB2 TYR A 69 3.013 -3.450 14.694 1.00 0.02 H new ATOM 0 HB3 TYR A 69 2.649 -4.338 16.161 1.00 0.02 H new ATOM 0 HD1 TYR A 69 5.448 -3.069 14.046 1.00 0.02 H new ATOM 0 HD2 TYR A 69 4.290 -4.607 17.886 1.00 0.02 H new ATOM 0 HE1 TYR A 69 7.667 -2.451 14.965 1.00 0.02 H new ATOM 0 HE2 TYR A 69 6.506 -3.980 18.807 1.00 0.02 H new ATOM 0 HH TYR A 69 8.509 -3.074 18.404 1.00 0.01 H new ATOM 1087 N GLN A 70 5.802 -6.002 14.155 1.00 0.01 N ATOM 1088 CA GLN A 70 7.029 -6.072 13.307 1.00 0.02 C ATOM 1089 C GLN A 70 6.814 -7.040 12.135 1.00 0.01 C ATOM 1090 O GLN A 70 7.450 -6.943 11.105 1.00 0.02 O ATOM 1091 CB GLN A 70 8.199 -6.575 14.156 1.00 0.01 C ATOM 1092 CG GLN A 70 8.380 -5.665 15.369 1.00 0.01 C ATOM 1093 CD GLN A 70 9.385 -6.292 16.335 1.00 0.02 C ATOM 1094 OE1 GLN A 70 9.230 -6.204 17.536 1.00 0.01 O ATOM 1095 NE2 GLN A 70 10.422 -6.926 15.857 1.00 0.02 N ATOM 0 H GLN A 70 5.935 -6.276 15.128 1.00 0.01 H new ATOM 0 HA GLN A 70 7.244 -5.078 12.916 1.00 0.02 H new ATOM 0 HB2 GLN A 70 8.012 -7.598 14.481 1.00 0.01 H new ATOM 0 HB3 GLN A 70 9.112 -6.591 13.561 1.00 0.01 H new ATOM 0 HG2 GLN A 70 8.730 -4.683 15.051 1.00 0.01 H new ATOM 0 HG3 GLN A 70 7.424 -5.515 15.870 1.00 0.01 H new ATOM 0 HE21 GLN A 70 10.554 -7.001 14.848 1.00 0.02 H new ATOM 0 HE22 GLN A 70 11.100 -7.346 16.492 1.00 0.02 H new ATOM 1104 N ARG A 71 5.907 -7.971 12.293 1.00 0.01 N ATOM 1105 CA ARG A 71 5.635 -8.944 11.196 1.00 0.02 C ATOM 1106 C ARG A 71 4.926 -8.207 10.063 1.00 0.01 C ATOM 1107 O ARG A 71 4.877 -8.653 8.935 1.00 0.02 O ATOM 1108 CB ARG A 71 4.756 -10.080 11.717 1.00 0.34 C ATOM 1109 CG ARG A 71 5.498 -10.812 12.847 1.00 0.72 C ATOM 1110 CD ARG A 71 6.694 -11.621 12.291 1.00 1.04 C ATOM 1111 NE ARG A 71 6.729 -12.979 12.928 1.00 1.67 N ATOM 1112 CZ ARG A 71 6.592 -13.129 14.221 1.00 2.47 C ATOM 1113 NH1 ARG A 71 6.549 -12.089 15.006 1.00 2.54 N ATOM 1114 NH2 ARG A 71 6.538 -14.327 14.733 1.00 3.42 N ATOM 0 H ARG A 71 5.344 -8.098 13.134 1.00 0.01 H new ATOM 0 HA ARG A 71 6.569 -9.371 10.832 1.00 0.02 H new ATOM 0 HB2 ARG A 71 3.809 -9.685 12.084 1.00 0.34 H new ATOM 0 HB3 ARG A 71 4.521 -10.774 10.910 1.00 0.34 H new ATOM 0 HG2 ARG A 71 5.853 -10.089 13.582 1.00 0.72 H new ATOM 0 HG3 ARG A 71 4.811 -11.481 13.365 1.00 0.72 H new ATOM 0 HD2 ARG A 71 6.607 -11.719 11.209 1.00 1.04 H new ATOM 0 HD3 ARG A 71 7.626 -11.092 12.489 1.00 1.04 H new ATOM 0 HE ARG A 71 6.862 -13.803 12.341 1.00 1.67 H new ATOM 0 HH11 ARG A 71 6.622 -11.150 14.614 1.00 2.54 H new ATOM 0 HH12 ARG A 71 6.442 -12.214 16.013 1.00 2.54 H new ATOM 0 HH21 ARG A 71 6.603 -15.144 14.126 1.00 3.42 H new ATOM 0 HH22 ARG A 71 6.431 -14.447 15.740 1.00 3.42 H new ATOM 1128 N TRP A 72 4.380 -7.066 10.382 1.00 0.02 N ATOM 1129 CA TRP A 72 3.656 -6.237 9.379 1.00 0.01 C ATOM 1130 C TRP A 72 4.549 -5.031 9.055 1.00 0.01 C ATOM 1131 O TRP A 72 4.151 -4.094 8.395 1.00 0.02 O ATOM 1132 CB TRP A 72 2.311 -5.822 10.028 1.00 0.02 C ATOM 1133 CG TRP A 72 1.856 -4.464 9.592 1.00 0.01 C ATOM 1134 CD1 TRP A 72 1.559 -4.108 8.325 1.00 0.01 C ATOM 1135 CD2 TRP A 72 1.621 -3.285 10.417 1.00 0.02 C ATOM 1136 NE1 TRP A 72 1.164 -2.783 8.318 1.00 0.02 N ATOM 1137 CE2 TRP A 72 1.187 -2.233 9.583 1.00 0.02 C ATOM 1138 CE3 TRP A 72 1.746 -3.031 11.795 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 0.885 -0.969 10.097 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 1.443 -1.760 12.317 1.00 0.02 C ATOM 1141 CH2 TRP A 72 1.014 -0.734 11.469 1.00 0.02 C ATOM 0 H TRP A 72 4.407 -6.665 11.319 1.00 0.02 H new ATOM 0 HA TRP A 72 3.444 -6.762 8.447 1.00 0.01 H new ATOM 0 HB2 TRP A 72 1.547 -6.556 9.773 1.00 0.02 H new ATOM 0 HB3 TRP A 72 2.416 -5.835 11.113 1.00 0.02 H new ATOM 0 HD1 TRP A 72 1.620 -4.751 7.460 1.00 0.01 H new ATOM 0 HE1 TRP A 72 0.889 -2.273 7.478 1.00 0.02 H new ATOM 0 HE3 TRP A 72 2.077 -3.817 12.457 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 0.554 -0.179 9.439 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 1.542 -1.576 13.377 1.00 0.02 H new ATOM 0 HH2 TRP A 72 0.782 0.240 11.874 1.00 0.02 H new ATOM 1152 N MET A 73 5.768 -5.070 9.522 1.00 0.02 N ATOM 1153 CA MET A 73 6.728 -3.956 9.265 1.00 0.02 C ATOM 1154 C MET A 73 6.196 -2.643 9.858 1.00 0.01 C ATOM 1155 O MET A 73 6.585 -1.563 9.461 1.00 0.02 O ATOM 1156 CB MET A 73 6.937 -3.788 7.757 1.00 0.02 C ATOM 1157 CG MET A 73 7.128 -5.163 7.109 1.00 0.01 C ATOM 1158 SD MET A 73 7.789 -4.954 5.436 1.00 0.01 S ATOM 1159 CE MET A 73 8.206 -6.689 5.137 1.00 0.01 C ATOM 0 H MET A 73 6.145 -5.837 10.079 1.00 0.02 H new ATOM 0 HA MET A 73 7.678 -4.199 9.740 1.00 0.02 H new ATOM 0 HB2 MET A 73 6.079 -3.282 7.315 1.00 0.02 H new ATOM 0 HB3 MET A 73 7.809 -3.161 7.568 1.00 0.02 H new ATOM 0 HG2 MET A 73 7.809 -5.768 7.708 1.00 0.01 H new ATOM 0 HG3 MET A 73 6.177 -5.695 7.072 1.00 0.01 H new ATOM 0 HE1 MET A 73 8.638 -6.793 4.142 1.00 0.01 H new ATOM 0 HE2 MET A 73 8.928 -7.023 5.882 1.00 0.01 H new ATOM 0 HE3 MET A 73 7.304 -7.297 5.207 1.00 0.01 H new ATOM 1169 N GLY A 74 5.306 -2.740 10.809 1.00 0.02 N ATOM 1170 CA GLY A 74 4.747 -1.511 11.433 1.00 0.02 C ATOM 1171 C GLY A 74 5.878 -0.705 12.067 1.00 0.01 C ATOM 1172 O GLY A 74 6.811 -1.253 12.619 1.00 0.01 O ATOM 0 H GLY A 74 4.943 -3.618 11.179 1.00 0.02 H new ATOM 0 HA2 GLY A 74 4.234 -0.910 10.682 1.00 0.02 H new ATOM 0 HA3 GLY A 74 4.008 -1.777 12.188 1.00 0.02 H new ATOM 1176 N LEU A 75 5.785 0.595 12.030 1.00 0.02 N ATOM 1177 CA LEU A 75 6.840 1.426 12.676 1.00 0.02 C ATOM 1178 C LEU A 75 6.571 1.428 14.187 1.00 0.01 C ATOM 1179 O LEU A 75 7.476 1.502 14.992 1.00 0.02 O ATOM 1180 CB LEU A 75 6.793 2.855 12.117 1.00 0.55 C ATOM 1181 CG LEU A 75 7.503 2.907 10.762 1.00 0.58 C ATOM 1182 CD1 LEU A 75 6.929 1.830 9.839 1.00 0.98 C ATOM 1183 CD2 LEU A 75 7.291 4.284 10.130 1.00 0.42 C ATOM 0 H LEU A 75 5.030 1.116 11.584 1.00 0.02 H new ATOM 0 HA LEU A 75 7.831 1.020 12.473 1.00 0.02 H new ATOM 0 HB2 LEU A 75 5.758 3.178 12.008 1.00 0.55 H new ATOM 0 HB3 LEU A 75 7.270 3.544 12.814 1.00 0.55 H new ATOM 0 HG LEU A 75 8.569 2.730 10.905 1.00 0.58 H new ATOM 0 HD11 LEU A 75 7.436 1.869 8.875 1.00 0.98 H new ATOM 0 HD12 LEU A 75 7.079 0.848 10.288 1.00 0.98 H new ATOM 0 HD13 LEU A 75 5.863 2.004 9.695 1.00 0.98 H new ATOM 0 HD21 LEU A 75 7.796 4.323 9.165 1.00 0.42 H new ATOM 0 HD22 LEU A 75 6.224 4.459 9.989 1.00 0.42 H new ATOM 0 HD23 LEU A 75 7.701 5.052 10.785 1.00 0.42 H new ATOM 1195 N ASN A 76 5.324 1.310 14.566 1.00 0.01 N ATOM 1196 CA ASN A 76 4.940 1.262 16.001 1.00 0.02 C ATOM 1197 C ASN A 76 3.581 0.561 16.063 1.00 0.02 C ATOM 1198 O ASN A 76 3.118 0.031 15.072 1.00 0.02 O ATOM 1199 CB ASN A 76 4.835 2.683 16.562 1.00 0.02 C ATOM 1200 CG ASN A 76 6.055 3.497 16.126 1.00 0.02 C ATOM 1201 OD1 ASN A 76 7.157 3.247 16.570 1.00 0.01 O ATOM 1202 ND2 ASN A 76 5.905 4.466 15.265 1.00 0.02 N ATOM 0 H ASN A 76 4.538 1.243 13.919 1.00 0.01 H new ATOM 0 HA ASN A 76 5.682 0.728 16.595 1.00 0.02 H new ATOM 0 HB2 ASN A 76 3.921 3.159 16.206 1.00 0.02 H new ATOM 0 HB3 ASN A 76 4.775 2.652 17.650 1.00 0.02 H new ATOM 0 HD21 ASN A 76 6.713 5.012 14.966 1.00 0.02 H new ATOM 0 HD22 ASN A 76 4.980 4.677 14.891 1.00 0.02 H new ATOM 1209 N ASP A 77 2.933 0.534 17.198 1.00 0.01 N ATOM 1210 CA ASP A 77 1.607 -0.159 17.282 1.00 0.01 C ATOM 1211 C ASP A 77 0.471 0.855 17.140 1.00 0.01 C ATOM 1212 O ASP A 77 -0.605 0.663 17.675 1.00 0.01 O ATOM 1213 CB ASP A 77 1.485 -0.847 18.643 1.00 0.01 C ATOM 1214 CG ASP A 77 1.688 0.185 19.753 1.00 0.01 C ATOM 1215 OD1 ASP A 77 1.089 1.245 19.666 1.00 0.01 O ATOM 1216 OD2 ASP A 77 2.440 -0.100 20.671 1.00 0.02 O ATOM 0 H ASP A 77 3.259 0.958 18.067 1.00 0.01 H new ATOM 0 HA ASP A 77 1.539 -0.892 16.478 1.00 0.01 H new ATOM 0 HB2 ASP A 77 0.505 -1.314 18.740 1.00 0.01 H new ATOM 0 HB3 ASP A 77 2.227 -1.641 18.729 1.00 0.01 H new ATOM 1221 N ARG A 78 0.691 1.942 16.440 1.00 0.01 N ATOM 1222 CA ARG A 78 -0.388 2.971 16.291 1.00 0.01 C ATOM 1223 C ARG A 78 -1.144 2.763 14.974 1.00 0.02 C ATOM 1224 O ARG A 78 -0.575 2.809 13.902 1.00 0.02 O ATOM 1225 CB ARG A 78 0.240 4.375 16.328 1.00 0.43 C ATOM 1226 CG ARG A 78 0.483 4.817 17.786 1.00 0.80 C ATOM 1227 CD ARG A 78 -0.777 5.486 18.351 1.00 1.00 C ATOM 1228 NE ARG A 78 -0.699 5.515 19.840 1.00 1.30 N ATOM 1229 CZ ARG A 78 -1.500 6.288 20.521 1.00 2.30 C ATOM 1230 NH1 ARG A 78 -2.369 7.040 19.900 1.00 2.72 N ATOM 1231 NH2 ARG A 78 -1.430 6.307 21.825 1.00 3.20 N ATOM 0 H ARG A 78 1.568 2.161 15.967 1.00 0.01 H new ATOM 0 HA ARG A 78 -1.097 2.870 17.113 1.00 0.01 H new ATOM 0 HB2 ARG A 78 1.182 4.373 15.780 1.00 0.43 H new ATOM 0 HB3 ARG A 78 -0.417 5.088 15.830 1.00 0.43 H new ATOM 0 HG2 ARG A 78 0.751 3.954 18.396 1.00 0.80 H new ATOM 0 HG3 ARG A 78 1.323 5.511 17.829 1.00 0.80 H new ATOM 0 HD2 ARG A 78 -0.869 6.500 17.961 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -1.665 4.940 18.033 1.00 1.00 H new ATOM 0 HE ARG A 78 -0.019 4.930 20.326 1.00 1.30 H new ATOM 0 HH11 ARG A 78 -2.422 7.023 18.882 1.00 2.72 H new ATOM 0 HH12 ARG A 78 -2.994 7.644 20.434 1.00 2.72 H new ATOM 0 HH21 ARG A 78 -0.751 5.719 22.308 1.00 3.20 H new ATOM 0 HH22 ARG A 78 -2.055 6.910 22.361 1.00 3.20 H new ATOM 1245 N LEU A 79 -2.431 2.554 15.057 1.00 0.01 N ATOM 1246 CA LEU A 79 -3.264 2.363 13.833 1.00 0.01 C ATOM 1247 C LEU A 79 -4.629 3.013 14.089 1.00 0.01 C ATOM 1248 O LEU A 79 -5.318 2.663 15.027 1.00 0.02 O ATOM 1249 CB LEU A 79 -3.434 0.865 13.564 1.00 1.04 C ATOM 1250 CG LEU A 79 -2.165 0.304 12.901 1.00 1.85 C ATOM 1251 CD1 LEU A 79 -2.298 -1.216 12.782 1.00 2.40 C ATOM 1252 CD2 LEU A 79 -1.960 0.927 11.499 1.00 2.61 C ATOM 0 H LEU A 79 -2.948 2.507 15.935 1.00 0.01 H new ATOM 0 HA LEU A 79 -2.789 2.819 12.964 1.00 0.01 H new ATOM 0 HB2 LEU A 79 -3.629 0.339 14.498 1.00 1.04 H new ATOM 0 HB3 LEU A 79 -4.296 0.698 12.918 1.00 1.04 H new ATOM 0 HG LEU A 79 -1.299 0.555 13.514 1.00 1.85 H new ATOM 0 HD11 LEU A 79 -1.403 -1.624 12.313 1.00 2.40 H new ATOM 0 HD12 LEU A 79 -2.417 -1.650 13.775 1.00 2.40 H new ATOM 0 HD13 LEU A 79 -3.169 -1.458 12.173 1.00 2.40 H new ATOM 0 HD21 LEU A 79 -1.057 0.517 11.047 1.00 2.61 H new ATOM 0 HD22 LEU A 79 -2.819 0.695 10.869 1.00 2.61 H new ATOM 0 HD23 LEU A 79 -1.860 2.008 11.592 1.00 2.61 H new ATOM 1264 N GLY A 80 -5.003 3.990 13.293 1.00 0.02 N ATOM 1265 CA GLY A 80 -6.302 4.709 13.521 1.00 0.02 C ATOM 1266 C GLY A 80 -7.342 4.425 12.432 1.00 0.02 C ATOM 1267 O GLY A 80 -8.516 4.692 12.624 1.00 0.01 O ATOM 0 H GLY A 80 -4.464 4.321 12.493 1.00 0.02 H new ATOM 0 HA2 GLY A 80 -6.708 4.416 14.489 1.00 0.02 H new ATOM 0 HA3 GLY A 80 -6.114 5.782 13.566 1.00 0.02 H new ATOM 1271 N SER A 81 -6.969 3.893 11.293 1.00 0.01 N ATOM 1272 CA SER A 81 -8.013 3.642 10.245 1.00 0.01 C ATOM 1273 C SER A 81 -7.576 2.531 9.295 1.00 0.02 C ATOM 1274 O SER A 81 -6.404 2.262 9.119 1.00 0.01 O ATOM 1275 CB SER A 81 -8.243 4.922 9.448 1.00 0.01 C ATOM 1276 OG SER A 81 -9.217 4.684 8.443 1.00 0.01 O ATOM 0 H SER A 81 -6.016 3.627 11.046 1.00 0.01 H new ATOM 0 HA SER A 81 -8.934 3.334 10.740 1.00 0.01 H new ATOM 0 HB2 SER A 81 -8.576 5.721 10.111 1.00 0.01 H new ATOM 0 HB3 SER A 81 -7.309 5.253 8.994 1.00 0.01 H new ATOM 0 HG SER A 81 -9.279 5.466 7.856 1.00 0.01 H new ATOM 1282 N CYS A 82 -8.528 1.881 8.673 1.00 0.02 N ATOM 1283 CA CYS A 82 -8.189 0.781 7.722 1.00 0.01 C ATOM 1284 C CYS A 82 -9.193 0.747 6.565 1.00 0.01 C ATOM 1285 O CYS A 82 -10.352 1.073 6.722 1.00 0.01 O ATOM 1286 CB CYS A 82 -8.213 -0.559 8.461 1.00 0.01 C ATOM 1287 SG CYS A 82 -9.832 -0.794 9.236 1.00 0.02 S ATOM 0 H CYS A 82 -9.525 2.066 8.784 1.00 0.02 H new ATOM 0 HA CYS A 82 -7.193 0.960 7.317 1.00 0.01 H new ATOM 0 HB2 CYS A 82 -8.010 -1.373 7.766 1.00 0.01 H new ATOM 0 HB3 CYS A 82 -7.429 -0.583 9.218 1.00 0.01 H new ATOM 0 HG CYS A 82 -10.731 -0.128 8.574 1.00 0.02 H new ATOM 1293 N ARG A 83 -8.751 0.340 5.403 1.00 0.01 N ATOM 1294 CA ARG A 83 -9.664 0.265 4.216 1.00 0.01 C ATOM 1295 C ARG A 83 -9.421 -1.061 3.486 1.00 0.01 C ATOM 1296 O ARG A 83 -8.302 -1.513 3.354 1.00 0.01 O ATOM 1297 CB ARG A 83 -9.350 1.412 3.241 1.00 0.01 C ATOM 1298 CG ARG A 83 -9.007 2.688 4.016 1.00 0.01 C ATOM 1299 CD ARG A 83 -8.739 3.824 3.023 1.00 0.01 C ATOM 1300 NE ARG A 83 -7.872 3.329 1.916 1.00 0.01 N ATOM 1301 CZ ARG A 83 -7.768 4.013 0.808 1.00 0.01 C ATOM 1302 NH1 ARG A 83 -8.427 5.130 0.666 1.00 0.01 N ATOM 1303 NH2 ARG A 83 -7.004 3.578 -0.158 1.00 0.01 N ATOM 0 H ARG A 83 -7.789 0.053 5.221 1.00 0.01 H new ATOM 0 HA ARG A 83 -10.697 0.338 4.555 1.00 0.01 H new ATOM 0 HB2 ARG A 83 -8.515 1.134 2.598 1.00 0.01 H new ATOM 0 HB3 ARG A 83 -10.207 1.592 2.592 1.00 0.01 H new ATOM 0 HG2 ARG A 83 -9.828 2.956 4.681 1.00 0.01 H new ATOM 0 HG3 ARG A 83 -8.131 2.523 4.643 1.00 0.01 H new ATOM 0 HD2 ARG A 83 -9.680 4.198 2.621 1.00 0.01 H new ATOM 0 HD3 ARG A 83 -8.255 4.658 3.532 1.00 0.01 H new ATOM 0 HE ARG A 83 -7.359 2.454 2.024 1.00 0.01 H new ATOM 0 HH11 ARG A 83 -9.024 5.470 1.420 1.00 0.01 H new ATOM 0 HH12 ARG A 83 -8.345 5.664 -0.199 1.00 0.01 H new ATOM 0 HH21 ARG A 83 -6.489 2.705 -0.047 1.00 0.01 H new ATOM 0 HH22 ARG A 83 -6.922 4.112 -1.023 1.00 0.01 H new ATOM 1317 N ALA A 84 -10.464 -1.691 3.011 1.00 0.01 N ATOM 1318 CA ALA A 84 -10.288 -2.980 2.293 1.00 0.01 C ATOM 1319 C ALA A 84 -9.806 -2.701 0.871 1.00 0.01 C ATOM 1320 O ALA A 84 -10.370 -1.899 0.152 1.00 0.00 O ATOM 1321 CB ALA A 84 -11.627 -3.720 2.226 1.00 0.43 C ATOM 0 H ALA A 84 -11.427 -1.366 3.091 1.00 0.01 H new ATOM 0 HA ALA A 84 -9.558 -3.591 2.823 1.00 0.01 H new ATOM 0 HB1 ALA A 84 -11.495 -4.665 1.699 1.00 0.43 H new ATOM 0 HB2 ALA A 84 -11.986 -3.915 3.237 1.00 0.43 H new ATOM 0 HB3 ALA A 84 -12.355 -3.107 1.695 1.00 0.43 H new ATOM 1327 N VAL A 85 -8.775 -3.382 0.455 1.00 0.01 N ATOM 1328 CA VAL A 85 -8.252 -3.200 -0.925 1.00 0.01 C ATOM 1329 C VAL A 85 -8.979 -4.179 -1.848 1.00 0.01 C ATOM 1330 O VAL A 85 -8.966 -5.374 -1.630 1.00 0.01 O ATOM 1331 CB VAL A 85 -6.747 -3.484 -0.953 1.00 0.98 C ATOM 1332 CG1 VAL A 85 -6.184 -3.107 -2.324 1.00 1.25 C ATOM 1333 CG2 VAL A 85 -6.048 -2.653 0.128 1.00 1.12 C ATOM 0 H VAL A 85 -8.268 -4.064 1.019 1.00 0.01 H new ATOM 0 HA VAL A 85 -8.420 -2.175 -1.256 1.00 0.01 H new ATOM 0 HB VAL A 85 -6.575 -4.544 -0.765 1.00 0.98 H new ATOM 0 HG11 VAL A 85 -5.113 -3.309 -2.345 1.00 1.25 H new ATOM 0 HG12 VAL A 85 -6.680 -3.696 -3.095 1.00 1.25 H new ATOM 0 HG13 VAL A 85 -6.358 -2.047 -2.510 1.00 1.25 H new ATOM 0 HG21 VAL A 85 -4.977 -2.856 0.107 1.00 1.12 H new ATOM 0 HG22 VAL A 85 -6.220 -1.593 -0.060 1.00 1.12 H new ATOM 0 HG23 VAL A 85 -6.449 -2.918 1.106 1.00 1.12 H new ATOM 1343 N HIS A 86 -9.613 -3.694 -2.878 1.00 0.01 N ATOM 1344 CA HIS A 86 -10.334 -4.608 -3.808 1.00 0.01 C ATOM 1345 C HIS A 86 -9.370 -5.018 -4.913 1.00 0.01 C ATOM 1346 O HIS A 86 -8.652 -4.208 -5.463 1.00 0.00 O ATOM 1347 CB HIS A 86 -11.530 -3.875 -4.420 1.00 0.21 C ATOM 1348 CG HIS A 86 -12.314 -3.199 -3.330 1.00 0.71 C ATOM 1349 ND1 HIS A 86 -13.606 -3.579 -3.005 1.00 1.26 N ATOM 1350 CD2 HIS A 86 -12.000 -2.169 -2.475 1.00 1.20 C ATOM 1351 CE1 HIS A 86 -14.019 -2.791 -1.996 1.00 1.77 C ATOM 1352 NE2 HIS A 86 -13.079 -1.914 -1.635 1.00 1.71 N ATOM 0 H HIS A 86 -9.664 -2.704 -3.117 1.00 0.01 H new ATOM 0 HA HIS A 86 -10.692 -5.487 -3.272 1.00 0.01 H new ATOM 0 HB2 HIS A 86 -11.186 -3.138 -5.146 1.00 0.21 H new ATOM 0 HB3 HIS A 86 -12.166 -4.579 -4.957 1.00 0.21 H new ATOM 0 HD2 HIS A 86 -11.059 -1.639 -2.458 1.00 1.20 H new ATOM 0 HE1 HIS A 86 -14.993 -2.859 -1.534 1.00 1.77 H new ATOM 0 HE2 HIS A 86 -13.139 -1.208 -0.901 1.00 1.71 H new ATOM 1360 N LEU A 87 -9.350 -6.285 -5.236 1.00 0.01 N ATOM 1361 CA LEU A 87 -8.437 -6.789 -6.302 1.00 0.01 C ATOM 1362 C LEU A 87 -9.234 -6.951 -7.594 1.00 0.01 C ATOM 1363 O LEU A 87 -10.344 -7.444 -7.586 1.00 0.01 O ATOM 1364 CB LEU A 87 -7.869 -8.160 -5.878 1.00 0.67 C ATOM 1365 CG LEU A 87 -7.660 -8.202 -4.362 1.00 1.25 C ATOM 1366 CD1 LEU A 87 -7.053 -9.549 -3.971 1.00 1.63 C ATOM 1367 CD2 LEU A 87 -6.705 -7.086 -3.949 1.00 1.34 C ATOM 0 H LEU A 87 -9.934 -6.999 -4.801 1.00 0.01 H new ATOM 0 HA LEU A 87 -7.617 -6.087 -6.455 1.00 0.01 H new ATOM 0 HB2 LEU A 87 -8.552 -8.954 -6.180 1.00 0.67 H new ATOM 0 HB3 LEU A 87 -6.923 -8.343 -6.388 1.00 0.67 H new ATOM 0 HG LEU A 87 -8.619 -8.070 -3.861 1.00 1.25 H new ATOM 0 HD11 LEU A 87 -6.903 -9.581 -2.892 1.00 1.63 H new ATOM 0 HD12 LEU A 87 -7.728 -10.352 -4.268 1.00 1.63 H new ATOM 0 HD13 LEU A 87 -6.094 -9.676 -4.474 1.00 1.63 H new ATOM 0 HD21 LEU A 87 -6.556 -7.116 -2.870 1.00 1.34 H new ATOM 0 HD22 LEU A 87 -5.747 -7.222 -4.451 1.00 1.34 H new ATOM 0 HD23 LEU A 87 -7.129 -6.122 -4.230 1.00 1.34 H new ATOM 1379 N SER A 88 -8.663 -6.570 -8.708 1.00 0.01 N ATOM 1380 CA SER A 88 -9.353 -6.725 -10.022 1.00 0.01 C ATOM 1381 C SER A 88 -8.614 -7.785 -10.835 1.00 0.01 C ATOM 1382 O SER A 88 -7.431 -7.645 -11.079 1.00 0.01 O ATOM 1383 CB SER A 88 -9.330 -5.395 -10.774 1.00 0.81 C ATOM 1384 OG SER A 88 -9.623 -5.622 -12.147 1.00 1.08 O ATOM 0 H SER A 88 -7.734 -6.152 -8.762 1.00 0.01 H new ATOM 0 HA SER A 88 -10.389 -7.027 -9.867 1.00 0.01 H new ATOM 0 HB2 SER A 88 -10.060 -4.709 -10.344 1.00 0.81 H new ATOM 0 HB3 SER A 88 -8.352 -4.924 -10.673 1.00 0.81 H new ATOM 0 HG SER A 88 -9.610 -4.769 -12.630 1.00 1.08 H new ATOM 1390 N SER A 89 -9.276 -8.809 -11.309 1.00 0.01 N ATOM 1391 CA SER A 89 -8.572 -9.820 -12.158 1.00 0.01 C ATOM 1392 C SER A 89 -8.971 -9.519 -13.596 1.00 0.01 C ATOM 1393 O SER A 89 -9.377 -8.410 -13.885 1.00 0.01 O ATOM 1394 CB SER A 89 -9.028 -11.234 -11.789 1.00 0.43 C ATOM 1395 OG SER A 89 -10.382 -11.412 -12.187 1.00 1.26 O ATOM 0 H SER A 89 -10.267 -8.989 -11.147 1.00 0.01 H new ATOM 0 HA SER A 89 -7.493 -9.767 -12.015 1.00 0.01 H new ATOM 0 HB2 SER A 89 -8.393 -11.972 -12.279 1.00 0.43 H new ATOM 0 HB3 SER A 89 -8.929 -11.391 -10.715 1.00 0.43 H new ATOM 0 HG SER A 89 -10.675 -12.317 -11.953 1.00 1.26 H new ATOM 1401 N GLY A 90 -8.915 -10.462 -14.506 1.00 0.01 N ATOM 1402 CA GLY A 90 -9.353 -10.164 -15.907 1.00 0.00 C ATOM 1403 C GLY A 90 -8.397 -10.752 -16.945 1.00 0.00 C ATOM 1404 O GLY A 90 -8.831 -11.365 -17.901 1.00 0.01 O ATOM 0 H GLY A 90 -8.589 -11.415 -14.343 1.00 0.01 H new ATOM 0 HA2 GLY A 90 -10.353 -10.566 -16.067 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.418 -9.085 -16.044 1.00 0.00 H new ATOM 1408 N GLY A 91 -7.108 -10.600 -16.785 1.00 0.00 N ATOM 1409 CA GLY A 91 -6.193 -11.192 -17.798 1.00 0.00 C ATOM 1410 C GLY A 91 -4.720 -10.893 -17.492 1.00 0.00 C ATOM 1411 O GLY A 91 -4.099 -11.578 -16.703 1.00 0.01 O ATOM 0 H GLY A 91 -6.660 -10.103 -16.015 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.343 -12.271 -17.834 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.444 -10.802 -18.784 1.00 0.00 H new ATOM 1415 N GLN A 92 -4.153 -9.891 -18.121 1.00 1.80 N ATOM 1416 CA GLN A 92 -2.706 -9.555 -17.883 1.00 2.31 C ATOM 1417 C GLN A 92 -2.560 -8.116 -17.378 1.00 1.91 C ATOM 1418 O GLN A 92 -2.953 -7.165 -18.025 1.00 2.31 O ATOM 1419 CB GLN A 92 -1.933 -9.749 -19.190 1.00 2.11 C ATOM 1420 CG GLN A 92 -0.432 -9.676 -18.908 1.00 2.86 C ATOM 1421 CD GLN A 92 0.338 -9.757 -20.228 1.00 3.70 C ATOM 1422 OE1 GLN A 92 1.549 -9.656 -20.246 1.00 3.99 O ATOM 1423 NE2 GLN A 92 -0.319 -9.936 -21.341 1.00 4.43 N ATOM 0 H GLN A 92 -4.629 -9.288 -18.792 1.00 1.80 H new ATOM 0 HA GLN A 92 -2.300 -10.216 -17.117 1.00 2.31 H new ATOM 0 HB2 GLN A 92 -2.184 -10.712 -19.634 1.00 2.11 H new ATOM 0 HB3 GLN A 92 -2.217 -8.982 -19.910 1.00 2.11 H new ATOM 0 HG2 GLN A 92 -0.193 -8.747 -18.391 1.00 2.86 H new ATOM 0 HG3 GLN A 92 -0.134 -10.492 -18.250 1.00 2.86 H new ATOM 0 HE21 GLN A 92 -1.335 -10.021 -21.325 1.00 4.43 H new ATOM 0 HE22 GLN A 92 0.184 -9.991 -22.227 1.00 4.43 H new ATOM 1432 N ALA A 93 -1.995 -7.970 -16.204 1.00 0.01 N ATOM 1433 CA ALA A 93 -1.816 -6.607 -15.622 1.00 0.01 C ATOM 1434 C ALA A 93 -0.668 -5.899 -16.343 1.00 0.01 C ATOM 1435 O ALA A 93 0.396 -6.456 -16.531 1.00 0.01 O ATOM 1436 CB ALA A 93 -1.476 -6.731 -14.135 1.00 2.99 C ATOM 0 H ALA A 93 -1.651 -8.736 -15.626 1.00 0.01 H new ATOM 0 HA ALA A 93 -2.736 -6.034 -15.741 1.00 0.01 H new ATOM 0 HB1 ALA A 93 -1.345 -5.737 -13.708 1.00 2.99 H new ATOM 0 HB2 ALA A 93 -2.287 -7.244 -13.618 1.00 2.99 H new ATOM 0 HB3 ALA A 93 -0.554 -7.300 -14.019 1.00 2.99 H new ATOM 1442 N LYS A 94 -0.886 -4.678 -16.762 1.00 0.00 N ATOM 1443 CA LYS A 94 0.174 -3.911 -17.493 1.00 0.01 C ATOM 1444 C LYS A 94 0.316 -2.514 -16.873 1.00 0.01 C ATOM 1445 O LYS A 94 -0.662 -1.869 -16.554 1.00 0.01 O ATOM 1446 CB LYS A 94 -0.263 -3.797 -18.956 1.00 2.49 C ATOM 1447 CG LYS A 94 0.806 -3.041 -19.759 1.00 3.43 C ATOM 1448 CD LYS A 94 0.404 -2.964 -21.251 1.00 4.11 C ATOM 1449 CE LYS A 94 -0.340 -1.654 -21.542 1.00 5.23 C ATOM 1450 NZ LYS A 94 -1.273 -1.339 -20.424 1.00 6.36 N ATOM 0 H LYS A 94 -1.762 -4.173 -16.628 1.00 0.00 H new ATOM 0 HA LYS A 94 1.137 -4.417 -17.425 1.00 0.01 H new ATOM 0 HB2 LYS A 94 -0.414 -4.790 -19.379 1.00 2.49 H new ATOM 0 HB3 LYS A 94 -1.217 -3.274 -19.021 1.00 2.49 H new ATOM 0 HG2 LYS A 94 0.929 -2.036 -19.356 1.00 3.43 H new ATOM 0 HG3 LYS A 94 1.768 -3.544 -19.660 1.00 3.43 H new ATOM 0 HD2 LYS A 94 1.294 -3.030 -21.877 1.00 4.11 H new ATOM 0 HD3 LYS A 94 -0.230 -3.813 -21.507 1.00 4.11 H new ATOM 0 HE2 LYS A 94 0.375 -0.841 -21.670 1.00 5.23 H new ATOM 0 HE3 LYS A 94 -0.895 -1.741 -22.476 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 -1.632 -0.369 -20.534 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 -2.070 -2.007 -20.438 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 -0.769 -1.420 -19.518 1.00 6.36 H new ATOM 1464 N ILE A 95 1.536 -2.046 -16.701 1.00 0.00 N ATOM 1465 CA ILE A 95 1.754 -0.684 -16.096 1.00 0.01 C ATOM 1466 C ILE A 95 2.671 0.139 -17.008 1.00 0.01 C ATOM 1467 O ILE A 95 3.620 -0.360 -17.584 1.00 0.01 O ATOM 1468 CB ILE A 95 2.392 -0.837 -14.707 1.00 0.34 C ATOM 1469 CG1 ILE A 95 2.836 0.534 -14.187 1.00 0.30 C ATOM 1470 CG2 ILE A 95 3.605 -1.764 -14.790 1.00 0.36 C ATOM 1471 CD1 ILE A 95 3.138 0.439 -12.690 1.00 1.09 C ATOM 0 H ILE A 95 2.388 -2.547 -16.953 1.00 0.00 H new ATOM 0 HA ILE A 95 0.798 -0.170 -15.994 1.00 0.01 H new ATOM 0 HB ILE A 95 1.657 -1.264 -14.025 1.00 0.34 H new ATOM 0 HG12 ILE A 95 3.721 0.870 -14.727 1.00 0.30 H new ATOM 0 HG13 ILE A 95 2.055 1.273 -14.365 1.00 0.30 H new ATOM 0 HG21 ILE A 95 4.052 -1.868 -13.801 1.00 0.36 H new ATOM 0 HG22 ILE A 95 3.290 -2.743 -15.150 1.00 0.36 H new ATOM 0 HG23 ILE A 95 4.338 -1.343 -15.478 1.00 0.36 H new ATOM 0 HD11 ILE A 95 3.454 1.414 -12.320 1.00 1.09 H new ATOM 0 HD12 ILE A 95 2.241 0.122 -12.157 1.00 1.09 H new ATOM 0 HD13 ILE A 95 3.934 -0.287 -12.525 1.00 1.09 H new ATOM 1483 N GLN A 96 2.398 1.418 -17.110 1.00 0.01 N ATOM 1484 CA GLN A 96 3.240 2.340 -17.937 1.00 0.01 C ATOM 1485 C GLN A 96 3.698 3.500 -17.044 1.00 0.01 C ATOM 1486 O GLN A 96 2.907 4.053 -16.306 1.00 0.00 O ATOM 1487 CB GLN A 96 2.431 2.869 -19.129 1.00 0.53 C ATOM 1488 CG GLN A 96 0.985 3.124 -18.703 1.00 0.82 C ATOM 1489 CD GLN A 96 0.232 1.794 -18.608 1.00 1.25 C ATOM 1490 OE1 GLN A 96 -0.484 1.555 -17.657 1.00 1.75 O ATOM 1491 NE2 GLN A 96 0.362 0.913 -19.563 1.00 2.05 N ATOM 0 H GLN A 96 1.611 1.870 -16.645 1.00 0.01 H new ATOM 0 HA GLN A 96 4.107 1.808 -18.329 1.00 0.01 H new ATOM 0 HB2 GLN A 96 2.877 3.791 -19.503 1.00 0.53 H new ATOM 0 HB3 GLN A 96 2.457 2.148 -19.946 1.00 0.53 H new ATOM 0 HG2 GLN A 96 0.964 3.634 -17.740 1.00 0.82 H new ATOM 0 HG3 GLN A 96 0.494 3.780 -19.422 1.00 0.82 H new ATOM 0 HE21 GLN A 96 0.963 1.112 -20.363 1.00 2.05 H new ATOM 0 HE22 GLN A 96 -0.138 0.025 -19.509 1.00 2.05 H new ATOM 1500 N VAL A 97 4.954 3.878 -17.090 1.00 0.01 N ATOM 1501 CA VAL A 97 5.443 5.008 -16.226 1.00 0.01 C ATOM 1502 C VAL A 97 6.126 6.072 -17.093 1.00 0.01 C ATOM 1503 O VAL A 97 6.701 5.776 -18.123 1.00 0.01 O ATOM 1504 CB VAL A 97 6.445 4.465 -15.206 1.00 0.77 C ATOM 1505 CG1 VAL A 97 5.727 3.521 -14.239 1.00 1.10 C ATOM 1506 CG2 VAL A 97 7.554 3.700 -15.934 1.00 1.03 C ATOM 0 H VAL A 97 5.664 3.455 -17.688 1.00 0.01 H new ATOM 0 HA VAL A 97 4.596 5.458 -15.709 1.00 0.01 H new ATOM 0 HB VAL A 97 6.881 5.295 -14.650 1.00 0.77 H new ATOM 0 HG11 VAL A 97 6.440 3.134 -13.512 1.00 1.10 H new ATOM 0 HG12 VAL A 97 4.938 4.064 -13.719 1.00 1.10 H new ATOM 0 HG13 VAL A 97 5.291 2.692 -14.796 1.00 1.10 H new ATOM 0 HG21 VAL A 97 8.268 3.313 -15.206 1.00 1.03 H new ATOM 0 HG22 VAL A 97 7.119 2.870 -16.491 1.00 1.03 H new ATOM 0 HG23 VAL A 97 8.066 4.371 -16.624 1.00 1.03 H new ATOM 1516 N PHE A 98 6.038 7.321 -16.684 1.00 0.01 N ATOM 1517 CA PHE A 98 6.653 8.439 -17.479 1.00 0.01 C ATOM 1518 C PHE A 98 7.734 9.158 -16.661 1.00 0.01 C ATOM 1519 O PHE A 98 7.618 9.344 -15.465 1.00 0.01 O ATOM 1520 CB PHE A 98 5.562 9.441 -17.867 1.00 0.25 C ATOM 1521 CG PHE A 98 4.691 8.853 -18.953 1.00 0.36 C ATOM 1522 CD1 PHE A 98 3.723 7.895 -18.628 1.00 0.42 C ATOM 1523 CD2 PHE A 98 4.841 9.274 -20.281 1.00 0.58 C ATOM 1524 CE1 PHE A 98 2.905 7.357 -19.631 1.00 0.56 C ATOM 1525 CE2 PHE A 98 4.022 8.739 -21.282 1.00 0.73 C ATOM 1526 CZ PHE A 98 3.055 7.779 -20.957 1.00 0.69 C ATOM 0 H PHE A 98 5.564 7.615 -15.830 1.00 0.01 H new ATOM 0 HA PHE A 98 7.114 8.020 -18.373 1.00 0.01 H new ATOM 0 HB2 PHE A 98 4.956 9.688 -16.996 1.00 0.25 H new ATOM 0 HB3 PHE A 98 6.015 10.370 -18.214 1.00 0.25 H new ATOM 0 HD1 PHE A 98 3.607 7.571 -17.604 1.00 0.42 H new ATOM 0 HD2 PHE A 98 5.589 10.012 -20.532 1.00 0.58 H new ATOM 0 HE1 PHE A 98 2.159 6.617 -19.381 1.00 0.56 H new ATOM 0 HE2 PHE A 98 4.136 9.066 -22.305 1.00 0.73 H new ATOM 0 HZ PHE A 98 2.425 7.364 -21.730 1.00 0.69 H new ATOM 1536 N GLU A 99 8.800 9.526 -17.319 1.00 0.01 N ATOM 1537 CA GLU A 99 9.934 10.199 -16.617 1.00 0.01 C ATOM 1538 C GLU A 99 9.540 11.590 -16.100 1.00 0.01 C ATOM 1539 O GLU A 99 10.075 12.046 -15.108 1.00 0.01 O ATOM 1540 CB GLU A 99 11.114 10.340 -17.580 1.00 0.01 C ATOM 1541 CG GLU A 99 12.305 10.956 -16.840 1.00 0.01 C ATOM 1542 CD GLU A 99 13.573 10.782 -17.675 1.00 0.01 C ATOM 1543 OE1 GLU A 99 13.803 9.679 -18.141 1.00 0.01 O ATOM 1544 OE2 GLU A 99 14.294 11.754 -17.830 1.00 0.02 O ATOM 0 H GLU A 99 8.936 9.389 -18.321 1.00 0.01 H new ATOM 0 HA GLU A 99 10.208 9.584 -15.760 1.00 0.01 H new ATOM 0 HB2 GLU A 99 11.387 9.365 -17.983 1.00 0.01 H new ATOM 0 HB3 GLU A 99 10.834 10.967 -18.426 1.00 0.01 H new ATOM 0 HG2 GLU A 99 12.122 12.014 -16.654 1.00 0.01 H new ATOM 0 HG3 GLU A 99 12.429 10.478 -15.868 1.00 0.01 H new ATOM 1551 N LYS A 100 8.624 12.275 -16.755 1.00 0.01 N ATOM 1552 CA LYS A 100 8.222 13.647 -16.282 1.00 0.01 C ATOM 1553 C LYS A 100 6.747 13.663 -15.868 1.00 0.01 C ATOM 1554 O LYS A 100 5.998 12.742 -16.134 1.00 0.01 O ATOM 1555 CB LYS A 100 8.448 14.668 -17.398 1.00 0.94 C ATOM 1556 CG LYS A 100 9.928 14.653 -17.805 1.00 1.63 C ATOM 1557 CD LYS A 100 10.149 15.492 -19.082 1.00 2.19 C ATOM 1558 CE LYS A 100 10.332 16.973 -18.726 1.00 2.84 C ATOM 1559 NZ LYS A 100 9.049 17.528 -18.214 1.00 3.18 N ATOM 0 H LYS A 100 8.140 11.946 -17.591 1.00 0.01 H new ATOM 0 HA LYS A 100 8.834 13.907 -15.418 1.00 0.01 H new ATOM 0 HB2 LYS A 100 7.820 14.431 -18.257 1.00 0.94 H new ATOM 0 HB3 LYS A 100 8.162 15.664 -17.059 1.00 0.94 H new ATOM 0 HG2 LYS A 100 10.538 15.049 -16.993 1.00 1.63 H new ATOM 0 HG3 LYS A 100 10.253 13.627 -17.977 1.00 1.63 H new ATOM 0 HD2 LYS A 100 11.027 15.129 -19.616 1.00 2.19 H new ATOM 0 HD3 LYS A 100 9.298 15.375 -19.753 1.00 2.19 H new ATOM 0 HE2 LYS A 100 11.113 17.082 -17.973 1.00 2.84 H new ATOM 0 HE3 LYS A 100 10.656 17.531 -19.605 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 9.021 18.553 -18.386 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 8.253 17.073 -18.705 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 8.975 17.346 -17.193 1.00 3.18 H new ATOM 1573 N GLY A 101 6.337 14.718 -15.215 1.00 0.01 N ATOM 1574 CA GLY A 101 4.925 14.833 -14.747 1.00 0.01 C ATOM 1575 C GLY A 101 3.954 14.933 -15.929 1.00 0.00 C ATOM 1576 O GLY A 101 4.331 15.219 -17.048 1.00 0.01 O ATOM 0 H GLY A 101 6.929 15.516 -14.983 1.00 0.01 H new ATOM 0 HA2 GLY A 101 4.670 13.967 -14.136 1.00 0.01 H new ATOM 0 HA3 GLY A 101 4.820 15.713 -14.112 1.00 0.01 H new ATOM 1580 N ASP A 102 2.692 14.713 -15.658 1.00 0.01 N ATOM 1581 CA ASP A 102 1.641 14.803 -16.715 1.00 0.00 C ATOM 1582 C ASP A 102 1.958 13.866 -17.882 1.00 0.00 C ATOM 1583 O ASP A 102 1.736 14.186 -19.033 1.00 0.01 O ATOM 1584 CB ASP A 102 1.555 16.242 -17.227 1.00 0.01 C ATOM 1585 CG ASP A 102 1.574 17.213 -16.044 1.00 0.01 C ATOM 1586 OD1 ASP A 102 2.655 17.520 -15.571 1.00 0.01 O ATOM 1587 OD2 ASP A 102 0.504 17.633 -15.632 1.00 0.01 O ATOM 0 H ASP A 102 2.341 14.471 -14.732 1.00 0.01 H new ATOM 0 HA ASP A 102 0.687 14.504 -16.280 1.00 0.00 H new ATOM 0 HB2 ASP A 102 2.391 16.451 -17.895 1.00 0.01 H new ATOM 0 HB3 ASP A 102 0.642 16.378 -17.807 1.00 0.01 H new ATOM 1592 N PHE A 103 2.447 12.698 -17.578 1.00 0.01 N ATOM 1593 CA PHE A 103 2.755 11.700 -18.640 1.00 0.01 C ATOM 1594 C PHE A 103 3.641 12.316 -19.725 1.00 0.00 C ATOM 1595 O PHE A 103 3.308 12.280 -20.893 1.00 0.01 O ATOM 1596 CB PHE A 103 1.448 11.205 -19.276 1.00 0.01 C ATOM 1597 CG PHE A 103 0.382 11.050 -18.213 1.00 0.00 C ATOM 1598 CD1 PHE A 103 0.640 10.279 -17.073 1.00 0.01 C ATOM 1599 CD2 PHE A 103 -0.864 11.674 -18.367 1.00 0.01 C ATOM 1600 CE1 PHE A 103 -0.343 10.132 -16.088 1.00 0.01 C ATOM 1601 CE2 PHE A 103 -1.847 11.526 -17.381 1.00 0.01 C ATOM 1602 CZ PHE A 103 -1.586 10.755 -16.241 1.00 0.01 C ATOM 0 H PHE A 103 2.649 12.388 -16.628 1.00 0.01 H new ATOM 0 HA PHE A 103 3.288 10.866 -18.184 1.00 0.01 H new ATOM 0 HB2 PHE A 103 1.114 11.910 -20.037 1.00 0.01 H new ATOM 0 HB3 PHE A 103 1.616 10.251 -19.776 1.00 0.01 H new ATOM 0 HD1 PHE A 103 1.599 9.797 -16.954 1.00 0.01 H new ATOM 0 HD2 PHE A 103 -1.065 12.269 -19.246 1.00 0.01 H new ATOM 0 HE1 PHE A 103 -0.142 9.537 -15.209 1.00 0.01 H new ATOM 0 HE2 PHE A 103 -2.807 12.007 -17.499 1.00 0.01 H new ATOM 0 HZ PHE A 103 -2.344 10.642 -15.480 1.00 0.01 H new ATOM 1612 N ASN A 104 4.774 12.862 -19.357 1.00 0.00 N ATOM 1613 CA ASN A 104 5.698 13.460 -20.376 1.00 0.01 C ATOM 1614 C ASN A 104 7.093 12.882 -20.159 1.00 0.01 C ATOM 1615 O ASN A 104 7.366 12.274 -19.141 1.00 0.01 O ATOM 1616 CB ASN A 104 5.744 14.982 -20.206 1.00 1.68 C ATOM 1617 CG ASN A 104 4.458 15.596 -20.763 1.00 2.31 C ATOM 1618 OD1 ASN A 104 3.760 14.971 -21.537 1.00 3.15 O ATOM 1619 ND2 ASN A 104 4.112 16.801 -20.402 1.00 2.38 N ATOM 0 H ASN A 104 5.101 12.920 -18.393 1.00 0.00 H new ATOM 0 HA ASN A 104 5.344 13.228 -21.380 1.00 0.01 H new ATOM 0 HB2 ASN A 104 5.855 15.238 -19.152 1.00 1.68 H new ATOM 0 HB3 ASN A 104 6.610 15.391 -20.726 1.00 1.68 H new ATOM 0 HD21 ASN A 104 3.256 17.218 -20.769 1.00 2.38 H new ATOM 0 HD22 ASN A 104 4.697 17.327 -19.752 1.00 2.38 H new ATOM 1626 N GLY A 105 7.983 13.048 -21.102 1.00 0.01 N ATOM 1627 CA GLY A 105 9.360 12.496 -20.939 1.00 0.01 C ATOM 1628 C GLY A 105 9.420 11.106 -21.562 1.00 0.01 C ATOM 1629 O GLY A 105 8.546 10.714 -22.309 1.00 0.01 O ATOM 0 H GLY A 105 7.816 13.542 -21.978 1.00 0.01 H new ATOM 0 HA2 GLY A 105 10.087 13.153 -21.416 1.00 0.01 H new ATOM 0 HA3 GLY A 105 9.622 12.445 -19.882 1.00 0.01 H new ATOM 1633 N GLN A 106 10.430 10.344 -21.251 1.00 0.01 N ATOM 1634 CA GLN A 106 10.517 8.972 -21.817 1.00 0.01 C ATOM 1635 C GLN A 106 9.500 8.093 -21.093 1.00 0.01 C ATOM 1636 O GLN A 106 9.245 8.253 -19.914 1.00 0.01 O ATOM 1637 CB GLN A 106 11.931 8.420 -21.603 1.00 0.01 C ATOM 1638 CG GLN A 106 12.064 7.049 -22.276 1.00 0.01 C ATOM 1639 CD GLN A 106 11.938 7.207 -23.792 1.00 0.01 C ATOM 1640 OE1 GLN A 106 12.886 7.576 -24.455 1.00 0.01 O ATOM 1641 NE2 GLN A 106 10.798 6.942 -24.371 1.00 0.01 N ATOM 0 H GLN A 106 11.196 10.611 -20.632 1.00 0.01 H new ATOM 0 HA GLN A 106 10.304 8.986 -22.886 1.00 0.01 H new ATOM 0 HB2 GLN A 106 12.667 9.110 -22.016 1.00 0.01 H new ATOM 0 HB3 GLN A 106 12.139 8.333 -20.537 1.00 0.01 H new ATOM 0 HG2 GLN A 106 13.026 6.602 -22.026 1.00 0.01 H new ATOM 0 HG3 GLN A 106 11.292 6.374 -21.905 1.00 0.01 H new ATOM 0 HE21 GLN A 106 10.002 6.632 -23.813 1.00 0.01 H new ATOM 0 HE22 GLN A 106 10.703 7.045 -25.381 1.00 0.01 H new ATOM 1650 N MET A 107 8.907 7.172 -21.809 1.00 0.01 N ATOM 1651 CA MET A 107 7.885 6.265 -21.203 1.00 0.01 C ATOM 1652 C MET A 107 8.387 4.825 -21.258 1.00 0.01 C ATOM 1653 O MET A 107 8.997 4.399 -22.218 1.00 0.01 O ATOM 1654 CB MET A 107 6.582 6.365 -21.999 1.00 0.00 C ATOM 1655 CG MET A 107 5.461 5.642 -21.248 1.00 0.01 C ATOM 1656 SD MET A 107 4.078 5.341 -22.375 1.00 0.01 S ATOM 1657 CE MET A 107 4.616 3.717 -22.968 1.00 0.01 C ATOM 0 H MET A 107 9.089 7.008 -22.799 1.00 0.01 H new ATOM 0 HA MET A 107 7.711 6.557 -20.167 1.00 0.01 H new ATOM 0 HB2 MET A 107 6.316 7.411 -22.149 1.00 0.00 H new ATOM 0 HB3 MET A 107 6.714 5.924 -22.987 1.00 0.00 H new ATOM 0 HG2 MET A 107 5.828 4.698 -20.845 1.00 0.01 H new ATOM 0 HG3 MET A 107 5.130 6.243 -20.401 1.00 0.01 H new ATOM 0 HE1 MET A 107 3.894 3.335 -23.690 1.00 0.01 H new ATOM 0 HE2 MET A 107 5.592 3.809 -23.445 1.00 0.01 H new ATOM 0 HE3 MET A 107 4.687 3.028 -22.127 1.00 0.01 H new ATOM 1667 N TYR A 108 8.109 4.068 -20.230 1.00 0.01 N ATOM 1668 CA TYR A 108 8.531 2.637 -20.185 1.00 0.00 C ATOM 1669 C TYR A 108 7.321 1.795 -19.778 1.00 0.01 C ATOM 1670 O TYR A 108 6.561 2.157 -18.901 1.00 0.01 O ATOM 1671 CB TYR A 108 9.644 2.457 -19.153 1.00 0.54 C ATOM 1672 CG TYR A 108 10.916 3.080 -19.675 1.00 0.60 C ATOM 1673 CD1 TYR A 108 11.708 2.384 -20.598 1.00 1.24 C ATOM 1674 CD2 TYR A 108 11.303 4.352 -19.240 1.00 0.93 C ATOM 1675 CE1 TYR A 108 12.888 2.962 -21.084 1.00 1.76 C ATOM 1676 CE2 TYR A 108 12.484 4.929 -19.727 1.00 1.51 C ATOM 1677 CZ TYR A 108 13.275 4.233 -20.648 1.00 1.82 C ATOM 1678 OH TYR A 108 14.439 4.802 -21.127 1.00 2.48 O ATOM 0 H TYR A 108 7.599 4.386 -19.406 1.00 0.01 H new ATOM 0 HA TYR A 108 8.902 2.326 -21.162 1.00 0.00 H new ATOM 0 HB2 TYR A 108 9.359 2.922 -18.209 1.00 0.54 H new ATOM 0 HB3 TYR A 108 9.801 1.397 -18.952 1.00 0.54 H new ATOM 0 HD1 TYR A 108 11.409 1.402 -20.935 1.00 1.24 H new ATOM 0 HD2 TYR A 108 10.692 4.889 -18.529 1.00 0.93 H new ATOM 0 HE1 TYR A 108 13.499 2.426 -21.795 1.00 1.76 H new ATOM 0 HE2 TYR A 108 12.784 5.911 -19.391 1.00 1.51 H new ATOM 0 HH TYR A 108 14.560 5.687 -20.724 1.00 2.48 H new ATOM 1688 N GLU A 109 7.127 0.683 -20.441 1.00 0.01 N ATOM 1689 CA GLU A 109 5.955 -0.203 -20.152 1.00 0.01 C ATOM 1690 C GLU A 109 6.446 -1.577 -19.700 1.00 0.01 C ATOM 1691 O GLU A 109 7.329 -2.158 -20.298 1.00 0.01 O ATOM 1692 CB GLU A 109 5.133 -0.326 -21.445 1.00 0.01 C ATOM 1693 CG GLU A 109 4.098 -1.450 -21.321 1.00 0.01 C ATOM 1694 CD GLU A 109 3.324 -1.305 -20.011 1.00 0.00 C ATOM 1695 OE1 GLU A 109 2.549 -0.369 -19.903 1.00 0.00 O ATOM 1696 OE2 GLU A 109 3.519 -2.134 -19.138 1.00 0.00 O ATOM 0 H GLU A 109 7.741 0.345 -21.183 1.00 0.01 H new ATOM 0 HA GLU A 109 5.340 0.216 -19.355 1.00 0.01 H new ATOM 0 HB2 GLU A 109 4.630 0.618 -21.654 1.00 0.01 H new ATOM 0 HB3 GLU A 109 5.796 -0.526 -22.286 1.00 0.01 H new ATOM 0 HG2 GLU A 109 3.410 -1.417 -22.165 1.00 0.01 H new ATOM 0 HG3 GLU A 109 4.596 -2.419 -21.354 1.00 0.01 H new ATOM 1703 N THR A 110 5.880 -2.107 -18.642 1.00 0.01 N ATOM 1704 CA THR A 110 6.322 -3.446 -18.158 1.00 0.00 C ATOM 1705 C THR A 110 5.157 -4.193 -17.501 1.00 0.01 C ATOM 1706 O THR A 110 4.259 -3.609 -16.919 1.00 0.01 O ATOM 1707 CB THR A 110 7.451 -3.281 -17.140 1.00 1.21 C ATOM 1708 OG1 THR A 110 7.771 -4.546 -16.580 1.00 1.65 O ATOM 1709 CG2 THR A 110 7.004 -2.331 -16.030 1.00 1.69 C ATOM 0 H THR A 110 5.136 -1.671 -18.098 1.00 0.01 H new ATOM 0 HA THR A 110 6.676 -4.022 -19.013 1.00 0.00 H new ATOM 0 HB THR A 110 8.330 -2.870 -17.637 1.00 1.21 H new ATOM 0 HG1 THR A 110 7.775 -5.225 -17.287 1.00 1.65 H new ATOM 0 HG21 THR A 110 7.809 -2.214 -15.305 1.00 1.69 H new ATOM 0 HG22 THR A 110 6.758 -1.360 -16.459 1.00 1.69 H new ATOM 0 HG23 THR A 110 6.125 -2.741 -15.533 1.00 1.69 H new ATOM 1717 N THR A 111 5.190 -5.494 -17.599 1.00 0.00 N ATOM 1718 CA THR A 111 4.117 -6.352 -17.003 1.00 0.01 C ATOM 1719 C THR A 111 4.668 -7.096 -15.784 1.00 0.01 C ATOM 1720 O THR A 111 4.039 -8.001 -15.273 1.00 0.01 O ATOM 1721 CB THR A 111 3.650 -7.368 -18.048 1.00 0.01 C ATOM 1722 OG1 THR A 111 4.782 -8.019 -18.608 1.00 0.01 O ATOM 1723 CG2 THR A 111 2.870 -6.649 -19.151 1.00 0.01 C ATOM 0 H THR A 111 5.928 -6.012 -18.076 1.00 0.00 H new ATOM 0 HA THR A 111 3.280 -5.726 -16.694 1.00 0.01 H new ATOM 0 HB THR A 111 3.002 -8.107 -17.576 1.00 0.01 H new ATOM 0 HG1 THR A 111 5.225 -8.556 -17.918 1.00 0.01 H new ATOM 0 HG21 THR A 111 2.538 -7.374 -19.894 1.00 0.01 H new ATOM 0 HG22 THR A 111 2.003 -6.151 -18.718 1.00 0.01 H new ATOM 0 HG23 THR A 111 3.513 -5.909 -19.628 1.00 0.01 H new ATOM 1731 N GLU A 112 5.848 -6.742 -15.330 1.00 0.01 N ATOM 1732 CA GLU A 112 6.463 -7.451 -14.158 1.00 0.01 C ATOM 1733 C GLU A 112 6.744 -6.479 -13.006 1.00 0.01 C ATOM 1734 O GLU A 112 6.795 -5.279 -13.182 1.00 0.01 O ATOM 1735 CB GLU A 112 7.785 -8.080 -14.602 1.00 0.85 C ATOM 1736 CG GLU A 112 7.553 -8.955 -15.839 1.00 1.61 C ATOM 1737 CD GLU A 112 7.385 -8.071 -17.078 1.00 2.51 C ATOM 1738 OE1 GLU A 112 7.622 -6.878 -16.974 1.00 3.07 O ATOM 1739 OE2 GLU A 112 7.024 -8.604 -18.114 1.00 3.21 O ATOM 0 H GLU A 112 6.415 -5.990 -15.722 1.00 0.01 H new ATOM 0 HA GLU A 112 5.765 -8.212 -13.808 1.00 0.01 H new ATOM 0 HB2 GLU A 112 8.512 -7.300 -14.828 1.00 0.85 H new ATOM 0 HB3 GLU A 112 8.203 -8.680 -13.794 1.00 0.85 H new ATOM 0 HG2 GLU A 112 8.394 -9.634 -15.978 1.00 1.61 H new ATOM 0 HG3 GLU A 112 6.665 -9.571 -15.698 1.00 1.61 H new ATOM 1746 N ASP A 113 6.954 -7.008 -11.829 1.00 0.01 N ATOM 1747 CA ASP A 113 7.265 -6.146 -10.652 1.00 0.01 C ATOM 1748 C ASP A 113 8.621 -5.480 -10.897 1.00 0.00 C ATOM 1749 O ASP A 113 9.454 -6.002 -11.610 1.00 0.01 O ATOM 1750 CB ASP A 113 7.346 -7.021 -9.398 1.00 0.01 C ATOM 1751 CG ASP A 113 8.056 -8.333 -9.738 1.00 0.01 C ATOM 1752 OD1 ASP A 113 8.738 -8.368 -10.749 1.00 0.00 O ATOM 1753 OD2 ASP A 113 7.906 -9.278 -8.982 1.00 0.00 O ATOM 0 H ASP A 113 6.923 -8.008 -11.632 1.00 0.01 H new ATOM 0 HA ASP A 113 6.492 -5.390 -10.514 1.00 0.01 H new ATOM 0 HB2 ASP A 113 7.886 -6.496 -8.610 1.00 0.01 H new ATOM 0 HB3 ASP A 113 6.345 -7.224 -9.018 1.00 0.01 H new ATOM 1758 N CYS A 114 8.859 -4.342 -10.286 1.00 0.01 N ATOM 1759 CA CYS A 114 10.175 -3.645 -10.448 1.00 0.01 C ATOM 1760 C CYS A 114 10.806 -3.457 -9.050 1.00 0.01 C ATOM 1761 O CYS A 114 10.313 -2.653 -8.275 1.00 0.01 O ATOM 1762 CB CYS A 114 9.933 -2.268 -11.063 1.00 0.01 C ATOM 1763 SG CYS A 114 11.445 -1.279 -10.945 1.00 0.01 S ATOM 0 H CYS A 114 8.193 -3.864 -9.679 1.00 0.01 H new ATOM 0 HA CYS A 114 10.835 -4.230 -11.088 1.00 0.01 H new ATOM 0 HB2 CYS A 114 9.634 -2.371 -12.106 1.00 0.01 H new ATOM 0 HB3 CYS A 114 9.116 -1.765 -10.546 1.00 0.01 H new ATOM 0 HG CYS A 114 11.606 -0.599 -12.042 1.00 0.01 H new ATOM 1769 N PRO A 115 11.884 -4.153 -8.710 1.00 0.01 N ATOM 1770 CA PRO A 115 12.514 -3.971 -7.371 1.00 0.01 C ATOM 1771 C PRO A 115 13.341 -2.680 -7.300 1.00 0.01 C ATOM 1772 O PRO A 115 13.461 -2.073 -6.255 1.00 0.01 O ATOM 1773 CB PRO A 115 13.403 -5.221 -7.259 1.00 0.01 C ATOM 1774 CG PRO A 115 13.618 -5.773 -8.678 1.00 0.01 C ATOM 1775 CD PRO A 115 12.542 -5.161 -9.597 1.00 0.01 C ATOM 0 HA PRO A 115 11.792 -3.874 -6.561 1.00 0.01 H new ATOM 0 HB2 PRO A 115 14.358 -4.970 -6.798 1.00 0.01 H new ATOM 0 HB3 PRO A 115 12.930 -5.971 -6.625 1.00 0.01 H new ATOM 0 HG2 PRO A 115 14.615 -5.520 -9.038 1.00 0.01 H new ATOM 0 HG3 PRO A 115 13.546 -6.861 -8.679 1.00 0.01 H new ATOM 0 HD2 PRO A 115 12.981 -4.697 -10.481 1.00 0.01 H new ATOM 0 HD3 PRO A 115 11.835 -5.913 -9.949 1.00 0.01 H new ATOM 1783 N SER A 116 13.926 -2.264 -8.394 1.00 0.01 N ATOM 1784 CA SER A 116 14.752 -1.018 -8.380 1.00 0.02 C ATOM 1785 C SER A 116 14.525 -0.262 -9.689 1.00 0.01 C ATOM 1786 O SER A 116 14.953 -0.678 -10.748 1.00 0.00 O ATOM 1787 CB SER A 116 16.227 -1.391 -8.246 1.00 0.01 C ATOM 1788 OG SER A 116 17.022 -0.231 -8.448 1.00 0.01 O ATOM 0 H SER A 116 13.868 -2.734 -9.298 1.00 0.01 H new ATOM 0 HA SER A 116 14.466 -0.387 -7.538 1.00 0.02 H new ATOM 0 HB2 SER A 116 16.420 -1.811 -7.259 1.00 0.01 H new ATOM 0 HB3 SER A 116 16.488 -2.157 -8.976 1.00 0.01 H new ATOM 0 HG SER A 116 17.970 -0.465 -8.361 1.00 0.01 H new ATOM 1794 N ILE A 117 13.824 0.834 -9.612 1.00 0.01 N ATOM 1795 CA ILE A 117 13.515 1.632 -10.831 1.00 0.01 C ATOM 1796 C ILE A 117 14.800 2.175 -11.458 1.00 0.01 C ATOM 1797 O ILE A 117 14.922 2.227 -12.666 1.00 0.00 O ATOM 1798 CB ILE A 117 12.588 2.792 -10.433 1.00 0.57 C ATOM 1799 CG1 ILE A 117 11.167 2.252 -10.262 1.00 1.44 C ATOM 1800 CG2 ILE A 117 12.592 3.887 -11.509 1.00 0.93 C ATOM 1801 CD1 ILE A 117 10.300 3.307 -9.589 1.00 1.83 C ATOM 0 H ILE A 117 13.447 1.216 -8.745 1.00 0.01 H new ATOM 0 HA ILE A 117 13.024 0.998 -11.569 1.00 0.01 H new ATOM 0 HB ILE A 117 12.944 3.226 -9.499 1.00 0.57 H new ATOM 0 HG12 ILE A 117 10.748 1.987 -11.233 1.00 1.44 H new ATOM 0 HG13 ILE A 117 11.182 1.342 -9.662 1.00 1.44 H new ATOM 0 HG21 ILE A 117 11.929 4.697 -11.206 1.00 0.93 H new ATOM 0 HG22 ILE A 117 13.604 4.273 -11.632 1.00 0.93 H new ATOM 0 HG23 ILE A 117 12.246 3.469 -12.454 1.00 0.93 H new ATOM 0 HD11 ILE A 117 9.287 2.922 -9.467 1.00 1.83 H new ATOM 0 HD12 ILE A 117 10.716 3.550 -8.611 1.00 1.83 H new ATOM 0 HD13 ILE A 117 10.275 4.205 -10.206 1.00 1.83 H new ATOM 1813 N MET A 118 15.740 2.607 -10.664 1.00 0.02 N ATOM 1814 CA MET A 118 16.982 3.172 -11.257 1.00 0.01 C ATOM 1815 C MET A 118 17.756 2.077 -11.985 1.00 0.01 C ATOM 1816 O MET A 118 18.336 2.310 -13.022 1.00 0.02 O ATOM 1817 CB MET A 118 17.860 3.795 -10.168 1.00 0.24 C ATOM 1818 CG MET A 118 18.932 4.673 -10.818 1.00 0.63 C ATOM 1819 SD MET A 118 20.153 5.152 -9.574 1.00 1.20 S ATOM 1820 CE MET A 118 21.566 5.311 -10.693 1.00 1.34 C ATOM 0 H MET A 118 15.703 2.594 -9.645 1.00 0.02 H new ATOM 0 HA MET A 118 16.705 3.949 -11.969 1.00 0.01 H new ATOM 0 HB2 MET A 118 17.249 4.391 -9.490 1.00 0.24 H new ATOM 0 HB3 MET A 118 18.328 3.012 -9.571 1.00 0.24 H new ATOM 0 HG2 MET A 118 19.417 4.132 -11.630 1.00 0.63 H new ATOM 0 HG3 MET A 118 18.475 5.561 -11.255 1.00 0.63 H new ATOM 0 HE1 MET A 118 22.448 5.606 -10.125 1.00 1.34 H new ATOM 0 HE2 MET A 118 21.752 4.355 -11.182 1.00 1.34 H new ATOM 0 HE3 MET A 118 21.350 6.068 -11.447 1.00 1.34 H new ATOM 1830 N GLU A 119 17.776 0.885 -11.473 1.00 0.01 N ATOM 1831 CA GLU A 119 18.526 -0.188 -12.175 1.00 0.02 C ATOM 1832 C GLU A 119 17.794 -0.577 -13.462 1.00 0.02 C ATOM 1833 O GLU A 119 18.406 -0.882 -14.467 1.00 0.01 O ATOM 1834 CB GLU A 119 18.632 -1.414 -11.265 1.00 0.30 C ATOM 1835 CG GLU A 119 19.666 -2.388 -11.835 1.00 0.99 C ATOM 1836 CD GLU A 119 21.074 -1.840 -11.588 1.00 1.69 C ATOM 1837 OE1 GLU A 119 21.300 -1.308 -10.515 1.00 2.07 O ATOM 1838 OE2 GLU A 119 21.901 -1.961 -12.477 1.00 2.11 O ATOM 0 H GLU A 119 17.312 0.607 -10.608 1.00 0.01 H new ATOM 0 HA GLU A 119 19.523 0.175 -12.422 1.00 0.02 H new ATOM 0 HB2 GLU A 119 18.920 -1.109 -10.259 1.00 0.30 H new ATOM 0 HB3 GLU A 119 17.662 -1.904 -11.184 1.00 0.30 H new ATOM 0 HG2 GLU A 119 19.557 -3.366 -11.366 1.00 0.99 H new ATOM 0 HG3 GLU A 119 19.500 -2.527 -12.903 1.00 0.99 H new ATOM 1845 N GLN A 120 16.488 -0.628 -13.422 1.00 0.00 N ATOM 1846 CA GLN A 120 15.715 -1.066 -14.621 1.00 0.01 C ATOM 1847 C GLN A 120 15.539 0.056 -15.649 1.00 0.01 C ATOM 1848 O GLN A 120 15.704 -0.157 -16.835 1.00 0.01 O ATOM 1849 CB GLN A 120 14.334 -1.544 -14.173 1.00 0.52 C ATOM 1850 CG GLN A 120 13.646 -2.275 -15.328 1.00 1.07 C ATOM 1851 CD GLN A 120 12.321 -2.864 -14.842 1.00 1.08 C ATOM 1852 OE1 GLN A 120 11.352 -2.897 -15.575 1.00 0.98 O ATOM 1853 NE2 GLN A 120 12.237 -3.336 -13.629 1.00 2.08 N ATOM 0 H GLN A 120 15.923 -0.385 -12.609 1.00 0.00 H new ATOM 0 HA GLN A 120 16.278 -1.868 -15.099 1.00 0.01 H new ATOM 0 HB2 GLN A 120 14.429 -2.208 -13.314 1.00 0.52 H new ATOM 0 HB3 GLN A 120 13.729 -0.695 -13.855 1.00 0.52 H new ATOM 0 HG2 GLN A 120 13.469 -1.586 -16.154 1.00 1.07 H new ATOM 0 HG3 GLN A 120 14.291 -3.068 -15.707 1.00 1.07 H new ATOM 0 HE21 GLN A 120 13.050 -3.308 -13.014 1.00 2.08 H new ATOM 0 HE22 GLN A 120 11.358 -3.733 -13.296 1.00 2.08 H new ATOM 1862 N PHE A 121 15.129 1.225 -15.214 1.00 0.02 N ATOM 1863 CA PHE A 121 14.849 2.342 -16.180 1.00 0.01 C ATOM 1864 C PHE A 121 15.850 3.492 -16.059 1.00 0.01 C ATOM 1865 O PHE A 121 15.772 4.460 -16.789 1.00 0.01 O ATOM 1866 CB PHE A 121 13.438 2.867 -15.911 1.00 0.01 C ATOM 1867 CG PHE A 121 12.452 1.724 -16.040 1.00 0.01 C ATOM 1868 CD1 PHE A 121 12.264 1.100 -17.280 1.00 0.01 C ATOM 1869 CD2 PHE A 121 11.729 1.286 -14.922 1.00 0.01 C ATOM 1870 CE1 PHE A 121 11.354 0.043 -17.401 1.00 0.01 C ATOM 1871 CE2 PHE A 121 10.819 0.229 -15.046 1.00 0.01 C ATOM 1872 CZ PHE A 121 10.632 -0.391 -16.285 1.00 0.01 C ATOM 0 H PHE A 121 14.976 1.456 -14.232 1.00 0.02 H new ATOM 0 HA PHE A 121 14.941 1.945 -17.191 1.00 0.01 H new ATOM 0 HB2 PHE A 121 13.382 3.301 -14.913 1.00 0.01 H new ATOM 0 HB3 PHE A 121 13.190 3.659 -16.618 1.00 0.01 H new ATOM 0 HD1 PHE A 121 12.821 1.434 -18.143 1.00 0.01 H new ATOM 0 HD2 PHE A 121 11.874 1.764 -13.964 1.00 0.01 H new ATOM 0 HE1 PHE A 121 11.210 -0.438 -18.357 1.00 0.01 H new ATOM 0 HE2 PHE A 121 10.261 -0.107 -14.184 1.00 0.01 H new ATOM 0 HZ PHE A 121 9.929 -1.206 -16.380 1.00 0.01 H new ATOM 1882 N HIS A 122 16.783 3.409 -15.154 1.00 0.01 N ATOM 1883 CA HIS A 122 17.772 4.514 -15.003 1.00 0.01 C ATOM 1884 C HIS A 122 17.047 5.811 -14.634 1.00 0.01 C ATOM 1885 O HIS A 122 17.446 6.888 -15.030 1.00 0.02 O ATOM 1886 CB HIS A 122 18.544 4.686 -16.318 1.00 0.01 C ATOM 1887 CG HIS A 122 18.820 3.332 -16.917 1.00 0.01 C ATOM 1888 ND1 HIS A 122 19.265 2.263 -16.154 1.00 0.01 N ATOM 1889 CD2 HIS A 122 18.721 2.860 -18.202 1.00 0.01 C ATOM 1890 CE1 HIS A 122 19.416 1.211 -16.980 1.00 0.00 C ATOM 1891 NE2 HIS A 122 19.098 1.520 -18.241 1.00 0.01 N ATOM 0 H HIS A 122 16.905 2.625 -14.512 1.00 0.01 H new ATOM 0 HA HIS A 122 18.476 4.272 -14.207 1.00 0.01 H new ATOM 0 HB2 HIS A 122 17.966 5.293 -17.015 1.00 0.01 H new ATOM 0 HB3 HIS A 122 19.481 5.213 -16.136 1.00 0.01 H new ATOM 0 HD2 HIS A 122 18.399 3.440 -19.054 1.00 0.01 H new ATOM 0 HE1 HIS A 122 19.753 0.235 -16.662 1.00 0.00 H new ATOM 0 HE2 HIS A 122 19.126 0.907 -19.056 1.00 0.01 H new ATOM 1899 N LEU A 123 15.982 5.711 -13.868 1.00 0.01 N ATOM 1900 CA LEU A 123 15.215 6.936 -13.452 1.00 0.01 C ATOM 1901 C LEU A 123 15.341 7.117 -11.938 1.00 0.02 C ATOM 1902 O LEU A 123 15.232 6.175 -11.179 1.00 0.01 O ATOM 1903 CB LEU A 123 13.738 6.771 -13.821 1.00 0.01 C ATOM 1904 CG LEU A 123 13.608 6.381 -15.297 1.00 0.01 C ATOM 1905 CD1 LEU A 123 12.125 6.228 -15.651 1.00 0.01 C ATOM 1906 CD2 LEU A 123 14.241 7.466 -16.181 1.00 0.01 C ATOM 0 H LEU A 123 15.609 4.831 -13.512 1.00 0.01 H new ATOM 0 HA LEU A 123 15.619 7.809 -13.965 1.00 0.01 H new ATOM 0 HB2 LEU A 123 13.281 6.007 -13.193 1.00 0.01 H new ATOM 0 HB3 LEU A 123 13.201 7.701 -13.633 1.00 0.01 H new ATOM 0 HG LEU A 123 14.124 5.437 -15.469 1.00 0.01 H new ATOM 0 HD11 LEU A 123 12.028 5.951 -16.701 1.00 0.01 H new ATOM 0 HD12 LEU A 123 11.680 5.452 -15.028 1.00 0.01 H new ATOM 0 HD13 LEU A 123 11.610 7.173 -15.477 1.00 0.01 H new ATOM 0 HD21 LEU A 123 14.145 7.183 -17.229 1.00 0.01 H new ATOM 0 HD22 LEU A 123 13.731 8.415 -16.013 1.00 0.01 H new ATOM 0 HD23 LEU A 123 15.296 7.571 -15.928 1.00 0.01 H new ATOM 1918 N ARG A 124 15.586 8.321 -11.491 1.00 0.01 N ATOM 1919 CA ARG A 124 15.739 8.564 -10.024 1.00 0.00 C ATOM 1920 C ARG A 124 14.390 8.908 -9.380 1.00 0.01 C ATOM 1921 O ARG A 124 14.220 8.783 -8.183 1.00 0.01 O ATOM 1922 CB ARG A 124 16.705 9.729 -9.807 1.00 1.67 C ATOM 1923 CG ARG A 124 18.032 9.427 -10.505 1.00 1.98 C ATOM 1924 CD ARG A 124 18.996 10.594 -10.293 1.00 2.92 C ATOM 1925 NE ARG A 124 20.323 10.252 -10.879 1.00 3.54 N ATOM 1926 CZ ARG A 124 21.211 11.188 -11.077 1.00 4.57 C ATOM 1927 NH1 ARG A 124 20.940 12.423 -10.756 1.00 5.25 N ATOM 1928 NH2 ARG A 124 22.370 10.888 -11.593 1.00 5.32 N ATOM 0 H ARG A 124 15.687 9.148 -12.079 1.00 0.01 H new ATOM 0 HA ARG A 124 16.125 7.656 -9.561 1.00 0.00 H new ATOM 0 HB2 ARG A 124 16.276 10.650 -10.201 1.00 1.67 H new ATOM 0 HB3 ARG A 124 16.870 9.885 -8.741 1.00 1.67 H new ATOM 0 HG2 ARG A 124 18.463 8.508 -10.108 1.00 1.98 H new ATOM 0 HG3 ARG A 124 17.867 9.267 -11.570 1.00 1.98 H new ATOM 0 HD2 ARG A 124 18.601 11.496 -10.761 1.00 2.92 H new ATOM 0 HD3 ARG A 124 19.100 10.806 -9.229 1.00 2.92 H new ATOM 0 HE ARG A 124 20.537 9.286 -11.126 1.00 3.54 H new ATOM 0 HH11 ARG A 124 20.034 12.657 -10.350 1.00 5.25 H new ATOM 0 HH12 ARG A 124 21.634 13.154 -10.911 1.00 5.25 H new ATOM 0 HH21 ARG A 124 22.583 9.922 -11.842 1.00 5.32 H new ATOM 0 HH22 ARG A 124 23.064 11.619 -11.748 1.00 5.32 H new ATOM 1942 N GLU A 125 13.436 9.363 -10.154 1.00 0.01 N ATOM 1943 CA GLU A 125 12.110 9.741 -9.571 1.00 0.01 C ATOM 1944 C GLU A 125 10.996 9.483 -10.589 1.00 0.01 C ATOM 1945 O GLU A 125 11.243 9.351 -11.770 1.00 0.01 O ATOM 1946 CB GLU A 125 12.121 11.232 -9.228 1.00 0.01 C ATOM 1947 CG GLU A 125 13.131 11.494 -8.110 1.00 0.01 C ATOM 1948 CD GLU A 125 12.929 12.907 -7.561 1.00 0.02 C ATOM 1949 OE1 GLU A 125 13.389 13.839 -8.198 1.00 0.02 O ATOM 1950 OE2 GLU A 125 12.315 13.033 -6.514 1.00 0.01 O ATOM 0 H GLU A 125 13.517 9.489 -11.163 1.00 0.01 H new ATOM 0 HA GLU A 125 11.932 9.144 -8.676 1.00 0.01 H new ATOM 0 HB2 GLU A 125 12.381 11.817 -10.111 1.00 0.01 H new ATOM 0 HB3 GLU A 125 11.127 11.551 -8.916 1.00 0.01 H new ATOM 0 HG2 GLU A 125 13.005 10.761 -7.313 1.00 0.01 H new ATOM 0 HG3 GLU A 125 14.147 11.381 -8.489 1.00 0.01 H new ATOM 1957 N ILE A 126 9.763 9.444 -10.141 1.00 0.01 N ATOM 1958 CA ILE A 126 8.606 9.231 -11.073 1.00 0.01 C ATOM 1959 C ILE A 126 7.587 10.341 -10.805 1.00 0.01 C ATOM 1960 O ILE A 126 7.200 10.560 -9.674 1.00 0.01 O ATOM 1961 CB ILE A 126 7.948 7.880 -10.781 1.00 1.33 C ATOM 1962 CG1 ILE A 126 9.004 6.757 -10.784 1.00 1.49 C ATOM 1963 CG2 ILE A 126 6.873 7.591 -11.832 1.00 2.17 C ATOM 1964 CD1 ILE A 126 9.710 6.641 -12.149 1.00 1.70 C ATOM 0 H ILE A 126 9.505 9.552 -9.160 1.00 0.01 H new ATOM 0 HA ILE A 126 8.947 9.247 -12.108 1.00 0.01 H new ATOM 0 HB ILE A 126 7.485 7.919 -9.795 1.00 1.33 H new ATOM 0 HG12 ILE A 126 9.744 6.951 -10.007 1.00 1.49 H new ATOM 0 HG13 ILE A 126 8.527 5.808 -10.540 1.00 1.49 H new ATOM 0 HG21 ILE A 126 6.407 6.629 -11.621 1.00 2.17 H new ATOM 0 HG22 ILE A 126 6.116 8.375 -11.803 1.00 2.17 H new ATOM 0 HG23 ILE A 126 7.330 7.564 -12.821 1.00 2.17 H new ATOM 0 HD11 ILE A 126 10.447 5.839 -12.111 1.00 1.70 H new ATOM 0 HD12 ILE A 126 8.974 6.421 -12.922 1.00 1.70 H new ATOM 0 HD13 ILE A 126 10.210 7.581 -12.381 1.00 1.70 H new ATOM 1976 N HIS A 127 7.187 11.082 -11.817 1.00 0.01 N ATOM 1977 CA HIS A 127 6.235 12.222 -11.582 1.00 0.01 C ATOM 1978 C HIS A 127 4.836 11.963 -12.147 1.00 0.01 C ATOM 1979 O HIS A 127 3.896 12.653 -11.807 1.00 0.01 O ATOM 1980 CB HIS A 127 6.804 13.495 -12.216 1.00 0.02 C ATOM 1981 CG HIS A 127 8.015 13.950 -11.446 1.00 0.01 C ATOM 1982 ND1 HIS A 127 9.247 13.326 -11.561 1.00 0.01 N ATOM 1983 CD2 HIS A 127 8.197 14.976 -10.551 1.00 0.01 C ATOM 1984 CE1 HIS A 127 10.107 13.977 -10.757 1.00 0.01 C ATOM 1985 NE2 HIS A 127 9.519 14.990 -10.117 1.00 0.02 N ATOM 0 H HIS A 127 7.475 10.949 -12.786 1.00 0.01 H new ATOM 0 HA HIS A 127 6.131 12.333 -10.503 1.00 0.01 H new ATOM 0 HB2 HIS A 127 7.072 13.306 -13.255 1.00 0.02 H new ATOM 0 HB3 HIS A 127 6.048 14.280 -12.220 1.00 0.02 H new ATOM 0 HD1 HIS A 127 9.462 12.520 -12.148 1.00 0.01 H new ATOM 0 HD2 HIS A 127 7.430 15.667 -10.233 1.00 0.01 H new ATOM 0 HE1 HIS A 127 11.148 13.712 -10.643 1.00 0.01 H new ATOM 1993 N SER A 128 4.666 10.974 -12.982 1.00 0.01 N ATOM 1994 CA SER A 128 3.302 10.696 -13.520 1.00 0.01 C ATOM 1995 C SER A 128 3.253 9.279 -14.086 1.00 0.01 C ATOM 1996 O SER A 128 4.258 8.720 -14.492 1.00 0.01 O ATOM 1997 CB SER A 128 2.979 11.700 -14.626 1.00 0.01 C ATOM 1998 OG SER A 128 2.596 12.927 -14.033 1.00 0.01 O ATOM 0 H SER A 128 5.404 10.352 -13.313 1.00 0.01 H new ATOM 0 HA SER A 128 2.569 10.789 -12.718 1.00 0.01 H new ATOM 0 HB2 SER A 128 3.848 11.846 -15.268 1.00 0.01 H new ATOM 0 HB3 SER A 128 2.176 11.320 -15.258 1.00 0.01 H new ATOM 0 HG SER A 128 2.665 12.855 -13.058 1.00 0.01 H new ATOM 2004 N CYS A 129 2.086 8.693 -14.114 1.00 0.01 N ATOM 2005 CA CYS A 129 1.951 7.313 -14.647 1.00 0.01 C ATOM 2006 C CYS A 129 0.468 7.018 -14.878 1.00 0.00 C ATOM 2007 O CYS A 129 -0.378 7.426 -14.104 1.00 0.01 O ATOM 2008 CB CYS A 129 2.517 6.315 -13.635 1.00 0.69 C ATOM 2009 SG CYS A 129 1.461 6.286 -12.165 1.00 1.22 S ATOM 0 H CYS A 129 1.217 9.116 -13.788 1.00 0.01 H new ATOM 0 HA CYS A 129 2.500 7.223 -15.585 1.00 0.01 H new ATOM 0 HB2 CYS A 129 2.569 5.321 -14.078 1.00 0.69 H new ATOM 0 HB3 CYS A 129 3.534 6.596 -13.360 1.00 0.69 H new ATOM 0 HG CYS A 129 0.311 6.824 -12.446 1.00 1.22 H new ATOM 2015 N LYS A 130 0.135 6.307 -15.930 1.00 0.01 N ATOM 2016 CA LYS A 130 -1.307 5.983 -16.194 1.00 0.01 C ATOM 2017 C LYS A 130 -1.468 4.462 -16.168 1.00 0.01 C ATOM 2018 O LYS A 130 -1.231 3.767 -17.132 1.00 0.01 O ATOM 2019 CB LYS A 130 -1.719 6.548 -17.568 1.00 0.55 C ATOM 2020 CG LYS A 130 -0.492 6.632 -18.488 1.00 0.80 C ATOM 2021 CD LYS A 130 -0.939 6.705 -19.956 1.00 0.29 C ATOM 2022 CE LYS A 130 -1.787 7.965 -20.189 1.00 0.33 C ATOM 2023 NZ LYS A 130 -3.205 7.688 -19.823 1.00 1.41 N ATOM 0 H LYS A 130 0.795 5.938 -16.615 1.00 0.01 H new ATOM 0 HA LYS A 130 -1.947 6.431 -15.434 1.00 0.01 H new ATOM 0 HB2 LYS A 130 -2.480 5.911 -18.019 1.00 0.55 H new ATOM 0 HB3 LYS A 130 -2.162 7.537 -17.447 1.00 0.55 H new ATOM 0 HG2 LYS A 130 0.102 7.511 -18.236 1.00 0.80 H new ATOM 0 HG3 LYS A 130 0.146 5.762 -18.337 1.00 0.80 H new ATOM 0 HD2 LYS A 130 -0.067 6.719 -20.609 1.00 0.29 H new ATOM 0 HD3 LYS A 130 -1.516 5.817 -20.213 1.00 0.29 H new ATOM 0 HE2 LYS A 130 -1.401 8.791 -19.591 1.00 0.33 H new ATOM 0 HE3 LYS A 130 -1.723 8.270 -21.233 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 -3.834 8.067 -20.560 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 -3.348 6.661 -19.740 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 -3.424 8.142 -18.914 1.00 1.41 H new ATOM 2037 N VAL A 131 -1.884 3.966 -15.038 1.00 0.01 N ATOM 2038 CA VAL A 131 -2.091 2.504 -14.835 1.00 0.01 C ATOM 2039 C VAL A 131 -3.588 2.223 -14.780 1.00 0.01 C ATOM 2040 O VAL A 131 -4.313 2.919 -14.097 1.00 0.01 O ATOM 2041 CB VAL A 131 -1.432 2.080 -13.520 1.00 0.01 C ATOM 2042 CG1 VAL A 131 -2.165 2.727 -12.341 1.00 0.01 C ATOM 2043 CG2 VAL A 131 -1.486 0.556 -13.380 1.00 0.01 C ATOM 0 H VAL A 131 -2.097 4.534 -14.218 1.00 0.01 H new ATOM 0 HA VAL A 131 -1.645 1.942 -15.656 1.00 0.01 H new ATOM 0 HB VAL A 131 -0.392 2.406 -13.522 1.00 0.01 H new ATOM 0 HG11 VAL A 131 -1.692 2.422 -11.407 1.00 0.01 H new ATOM 0 HG12 VAL A 131 -2.118 3.812 -12.434 1.00 0.01 H new ATOM 0 HG13 VAL A 131 -3.207 2.408 -12.341 1.00 0.01 H new ATOM 0 HG21 VAL A 131 -1.016 0.260 -12.442 1.00 0.01 H new ATOM 0 HG22 VAL A 131 -2.525 0.227 -13.384 1.00 0.01 H new ATOM 0 HG23 VAL A 131 -0.956 0.095 -14.213 1.00 0.01 H new ATOM 2105 N TRP A 136 -2.047 -2.018 -7.752 1.00 0.01 N ATOM 2106 CA TRP A 136 -0.594 -1.632 -7.870 1.00 0.01 C ATOM 2107 C TRP A 136 -0.126 -0.893 -6.609 1.00 0.01 C ATOM 2108 O TRP A 136 -0.793 -0.007 -6.111 1.00 0.00 O ATOM 2109 CB TRP A 136 -0.396 -0.722 -9.086 1.00 0.01 C ATOM 2110 CG TRP A 136 -0.463 -1.530 -10.342 1.00 0.01 C ATOM 2111 CD1 TRP A 136 -1.570 -1.702 -11.095 1.00 0.01 C ATOM 2112 CD2 TRP A 136 0.603 -2.274 -11.000 1.00 0.01 C ATOM 2113 NE1 TRP A 136 -1.250 -2.495 -12.183 1.00 0.00 N ATOM 2114 CE2 TRP A 136 0.077 -2.876 -12.167 1.00 0.01 C ATOM 2115 CE3 TRP A 136 1.962 -2.482 -10.705 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 0.868 -3.655 -13.010 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 2.761 -3.268 -11.551 1.00 0.01 C ATOM 2118 CH2 TRP A 136 2.216 -3.852 -12.701 1.00 0.01 C ATOM 0 HA TRP A 136 -0.006 -2.542 -7.988 1.00 0.01 H new ATOM 0 HB2 TRP A 136 -1.163 0.053 -9.100 1.00 0.01 H new ATOM 0 HB3 TRP A 136 0.567 -0.216 -9.020 1.00 0.01 H new ATOM 0 HD1 TRP A 136 -2.545 -1.289 -10.883 1.00 0.01 H new ATOM 0 HE1 TRP A 136 -1.914 -2.765 -12.909 1.00 0.00 H new ATOM 0 HE3 TRP A 136 2.394 -2.034 -9.822 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 0.442 -4.103 -13.895 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 3.803 -3.423 -11.313 1.00 0.01 H new ATOM 0 HH2 TRP A 136 2.837 -4.454 -13.348 1.00 0.01 H new ATOM 2129 N ILE A 137 1.039 -1.247 -6.105 1.00 0.01 N ATOM 2130 CA ILE A 137 1.600 -0.568 -4.889 1.00 0.00 C ATOM 2131 C ILE A 137 2.936 0.069 -5.266 1.00 0.01 C ATOM 2132 O ILE A 137 3.748 -0.529 -5.940 1.00 0.01 O ATOM 2133 CB ILE A 137 1.858 -1.596 -3.780 1.00 0.60 C ATOM 2134 CG1 ILE A 137 0.643 -2.501 -3.604 1.00 1.32 C ATOM 2135 CG2 ILE A 137 2.131 -0.867 -2.462 1.00 1.37 C ATOM 2136 CD1 ILE A 137 1.019 -3.670 -2.693 1.00 1.69 C ATOM 0 H ILE A 137 1.629 -1.985 -6.490 1.00 0.01 H new ATOM 0 HA ILE A 137 0.890 0.180 -4.535 1.00 0.00 H new ATOM 0 HB ILE A 137 2.720 -2.202 -4.058 1.00 0.60 H new ATOM 0 HG12 ILE A 137 -0.185 -1.939 -3.172 1.00 1.32 H new ATOM 0 HG13 ILE A 137 0.307 -2.872 -4.572 1.00 1.32 H new ATOM 0 HG21 ILE A 137 2.314 -1.597 -1.674 1.00 1.37 H new ATOM 0 HG22 ILE A 137 3.006 -0.227 -2.575 1.00 1.37 H new ATOM 0 HG23 ILE A 137 1.267 -0.257 -2.198 1.00 1.37 H new ATOM 0 HD11 ILE A 137 0.155 -4.322 -2.562 1.00 1.69 H new ATOM 0 HD12 ILE A 137 1.835 -4.235 -3.144 1.00 1.69 H new ATOM 0 HD13 ILE A 137 1.335 -3.288 -1.722 1.00 1.69 H new ATOM 2148 N PHE A 138 3.175 1.268 -4.806 1.00 0.01 N ATOM 2149 CA PHE A 138 4.468 1.970 -5.093 1.00 0.01 C ATOM 2150 C PHE A 138 5.245 2.050 -3.768 1.00 0.01 C ATOM 2151 O PHE A 138 4.660 2.270 -2.727 1.00 0.00 O ATOM 2152 CB PHE A 138 4.164 3.392 -5.610 1.00 1.11 C ATOM 2153 CG PHE A 138 4.054 3.438 -7.128 1.00 1.11 C ATOM 2154 CD1 PHE A 138 3.622 2.325 -7.871 1.00 1.54 C ATOM 2155 CD2 PHE A 138 4.384 4.624 -7.795 1.00 1.46 C ATOM 2156 CE1 PHE A 138 3.527 2.406 -9.266 1.00 2.35 C ATOM 2157 CE2 PHE A 138 4.289 4.702 -9.189 1.00 2.01 C ATOM 2158 CZ PHE A 138 3.860 3.594 -9.925 1.00 2.49 C ATOM 0 H PHE A 138 2.521 1.802 -4.234 1.00 0.01 H new ATOM 0 HA PHE A 138 5.050 1.440 -5.847 1.00 0.01 H new ATOM 0 HB2 PHE A 138 3.233 3.746 -5.169 1.00 1.11 H new ATOM 0 HB3 PHE A 138 4.951 4.072 -5.283 1.00 1.11 H new ATOM 0 HD1 PHE A 138 3.363 1.407 -7.365 1.00 1.54 H new ATOM 0 HD2 PHE A 138 4.714 5.484 -7.230 1.00 1.46 H new ATOM 0 HE1 PHE A 138 3.196 1.549 -9.834 1.00 2.35 H new ATOM 0 HE2 PHE A 138 4.547 5.619 -9.697 1.00 2.01 H new ATOM 0 HZ PHE A 138 3.786 3.655 -11.001 1.00 2.49 H new ATOM 2168 N TYR A 139 6.549 1.874 -3.794 1.00 0.01 N ATOM 2169 CA TYR A 139 7.360 1.944 -2.529 1.00 0.01 C ATOM 2170 C TYR A 139 8.441 3.021 -2.669 1.00 0.01 C ATOM 2171 O TYR A 139 8.993 3.229 -3.738 1.00 0.01 O ATOM 2172 CB TYR A 139 8.022 0.589 -2.271 1.00 0.01 C ATOM 2173 CG TYR A 139 6.986 -0.506 -2.388 1.00 0.01 C ATOM 2174 CD1 TYR A 139 6.687 -1.057 -3.639 1.00 0.01 C ATOM 2175 CD2 TYR A 139 6.326 -0.970 -1.245 1.00 0.01 C ATOM 2176 CE1 TYR A 139 5.728 -2.073 -3.747 1.00 0.01 C ATOM 2177 CE2 TYR A 139 5.367 -1.985 -1.352 1.00 0.02 C ATOM 2178 CZ TYR A 139 5.069 -2.535 -2.604 1.00 0.02 C ATOM 2179 OH TYR A 139 4.123 -3.536 -2.711 1.00 0.00 O ATOM 0 H TYR A 139 7.088 1.684 -4.639 1.00 0.01 H new ATOM 0 HA TYR A 139 6.705 2.195 -1.694 1.00 0.01 H new ATOM 0 HB2 TYR A 139 8.826 0.422 -2.988 1.00 0.01 H new ATOM 0 HB3 TYR A 139 8.472 0.575 -1.278 1.00 0.01 H new ATOM 0 HD1 TYR A 139 7.196 -0.699 -4.522 1.00 0.01 H new ATOM 0 HD2 TYR A 139 6.556 -0.545 -0.279 1.00 0.01 H new ATOM 0 HE1 TYR A 139 5.498 -2.499 -4.713 1.00 0.01 H new ATOM 0 HE2 TYR A 139 4.858 -2.343 -0.469 1.00 0.02 H new ATOM 0 HH TYR A 139 3.761 -3.741 -1.823 1.00 0.00 H new ATOM 2189 N GLU A 140 8.706 3.741 -1.604 1.00 0.01 N ATOM 2190 CA GLU A 140 9.693 4.860 -1.655 1.00 0.02 C ATOM 2191 C GLU A 140 11.141 4.354 -1.697 1.00 0.01 C ATOM 2192 O GLU A 140 11.989 5.009 -2.268 1.00 0.01 O ATOM 2193 CB GLU A 140 9.499 5.704 -0.395 1.00 0.01 C ATOM 2194 CG GLU A 140 10.363 6.962 -0.481 1.00 0.02 C ATOM 2195 CD GLU A 140 9.954 7.934 0.627 1.00 0.02 C ATOM 2196 OE1 GLU A 140 8.773 8.226 0.728 1.00 0.01 O ATOM 2197 OE2 GLU A 140 10.829 8.369 1.357 1.00 0.02 O ATOM 0 H GLU A 140 8.273 3.597 -0.692 1.00 0.01 H new ATOM 0 HA GLU A 140 9.523 5.437 -2.564 1.00 0.02 H new ATOM 0 HB2 GLU A 140 8.450 5.978 -0.287 1.00 0.01 H new ATOM 0 HB3 GLU A 140 9.769 5.125 0.488 1.00 0.01 H new ATOM 0 HG2 GLU A 140 11.416 6.701 -0.381 1.00 0.02 H new ATOM 0 HG3 GLU A 140 10.243 7.433 -1.456 1.00 0.02 H new ATOM 2204 N LEU A 141 11.454 3.224 -1.097 1.00 0.01 N ATOM 2205 CA LEU A 141 12.876 2.728 -1.113 1.00 0.02 C ATOM 2206 C LEU A 141 12.939 1.400 -1.892 1.00 0.01 C ATOM 2207 O LEU A 141 11.951 0.692 -1.989 1.00 0.01 O ATOM 2208 CB LEU A 141 13.325 2.502 0.348 1.00 0.57 C ATOM 2209 CG LEU A 141 13.831 3.823 0.966 1.00 0.81 C ATOM 2210 CD1 LEU A 141 13.737 3.746 2.491 1.00 1.48 C ATOM 2211 CD2 LEU A 141 15.293 4.076 0.572 1.00 1.24 C ATOM 0 H LEU A 141 10.793 2.627 -0.600 1.00 0.01 H new ATOM 0 HA LEU A 141 13.531 3.454 -1.595 1.00 0.02 H new ATOM 0 HB2 LEU A 141 12.493 2.114 0.935 1.00 0.57 H new ATOM 0 HB3 LEU A 141 14.115 1.752 0.380 1.00 0.57 H new ATOM 0 HG LEU A 141 13.212 4.638 0.592 1.00 0.81 H new ATOM 0 HD11 LEU A 141 14.095 4.680 2.925 1.00 1.48 H new ATOM 0 HD12 LEU A 141 12.700 3.584 2.784 1.00 1.48 H new ATOM 0 HD13 LEU A 141 14.350 2.920 2.852 1.00 1.48 H new ATOM 0 HD21 LEU A 141 15.633 5.011 1.016 1.00 1.24 H new ATOM 0 HD22 LEU A 141 15.914 3.256 0.933 1.00 1.24 H new ATOM 0 HD23 LEU A 141 15.371 4.140 -0.513 1.00 1.24 H new ATOM 2223 N PRO A 142 14.087 1.054 -2.453 1.00 0.01 N ATOM 2224 CA PRO A 142 14.211 -0.211 -3.232 1.00 0.01 C ATOM 2225 C PRO A 142 13.781 -1.447 -2.435 1.00 0.01 C ATOM 2226 O PRO A 142 13.618 -1.415 -1.235 1.00 0.01 O ATOM 2227 CB PRO A 142 15.716 -0.256 -3.583 1.00 0.01 C ATOM 2228 CG PRO A 142 16.411 0.933 -2.891 1.00 0.02 C ATOM 2229 CD PRO A 142 15.326 1.884 -2.362 1.00 0.01 C ATOM 0 HA PRO A 142 13.558 -0.225 -4.105 1.00 0.01 H new ATOM 0 HB2 PRO A 142 16.155 -1.197 -3.252 1.00 0.01 H new ATOM 0 HB3 PRO A 142 15.856 -0.201 -4.663 1.00 0.01 H new ATOM 0 HG2 PRO A 142 17.040 0.582 -2.073 1.00 0.02 H new ATOM 0 HG3 PRO A 142 17.063 1.453 -3.593 1.00 0.02 H new ATOM 0 HD2 PRO A 142 15.528 2.199 -1.338 1.00 0.01 H new ATOM 0 HD3 PRO A 142 15.252 2.789 -2.965 1.00 0.01 H new ATOM 2237 N ASN A 143 13.606 -2.530 -3.145 1.00 0.01 N ATOM 2238 CA ASN A 143 13.201 -3.830 -2.531 1.00 0.01 C ATOM 2239 C ASN A 143 11.887 -3.707 -1.751 1.00 0.01 C ATOM 2240 O ASN A 143 11.641 -4.418 -0.799 1.00 0.01 O ATOM 2241 CB ASN A 143 14.335 -4.355 -1.624 1.00 0.23 C ATOM 2242 CG ASN A 143 14.293 -3.703 -0.237 1.00 0.11 C ATOM 2243 OD1 ASN A 143 13.488 -4.066 0.596 1.00 0.75 O ATOM 2244 ND2 ASN A 143 15.148 -2.758 0.051 1.00 0.56 N ATOM 0 H ASN A 143 13.731 -2.568 -4.157 1.00 0.01 H new ATOM 0 HA ASN A 143 13.027 -4.546 -3.334 1.00 0.01 H new ATOM 0 HB2 ASN A 143 14.249 -5.437 -1.521 1.00 0.23 H new ATOM 0 HB3 ASN A 143 15.299 -4.155 -2.092 1.00 0.23 H new ATOM 0 HD21 ASN A 143 15.139 -2.326 0.975 1.00 0.56 H new ATOM 0 HD22 ASN A 143 15.825 -2.452 -0.648 1.00 0.56 H new ATOM 2251 N TYR A 144 11.016 -2.842 -2.198 1.00 0.01 N ATOM 2252 CA TYR A 144 9.681 -2.689 -1.547 1.00 0.02 C ATOM 2253 C TYR A 144 9.820 -2.294 -0.071 1.00 0.01 C ATOM 2254 O TYR A 144 9.240 -2.916 0.798 1.00 0.01 O ATOM 2255 CB TYR A 144 8.918 -4.020 -1.660 1.00 0.01 C ATOM 2256 CG TYR A 144 9.317 -4.714 -2.948 1.00 0.01 C ATOM 2257 CD1 TYR A 144 9.181 -4.045 -4.170 1.00 0.01 C ATOM 2258 CD2 TYR A 144 9.836 -6.017 -2.918 1.00 0.01 C ATOM 2259 CE1 TYR A 144 9.560 -4.676 -5.361 1.00 0.01 C ATOM 2260 CE2 TYR A 144 10.217 -6.646 -4.110 1.00 0.01 C ATOM 2261 CZ TYR A 144 10.078 -5.976 -5.333 1.00 0.01 C ATOM 2262 OH TYR A 144 10.454 -6.595 -6.509 1.00 0.01 O ATOM 0 H TYR A 144 11.174 -2.227 -2.996 1.00 0.01 H new ATOM 0 HA TYR A 144 9.134 -1.894 -2.054 1.00 0.02 H new ATOM 0 HB2 TYR A 144 9.144 -4.657 -0.805 1.00 0.01 H new ATOM 0 HB3 TYR A 144 7.843 -3.839 -1.648 1.00 0.01 H new ATOM 0 HD1 TYR A 144 8.783 -3.041 -4.194 1.00 0.01 H new ATOM 0 HD2 TYR A 144 9.942 -6.535 -1.976 1.00 0.01 H new ATOM 0 HE1 TYR A 144 9.452 -4.159 -6.303 1.00 0.01 H new ATOM 0 HE2 TYR A 144 10.618 -7.648 -4.087 1.00 0.01 H new ATOM 0 HH TYR A 144 10.794 -7.493 -6.312 1.00 0.01 H new ATOM 2272 N ARG A 145 10.577 -1.260 0.215 1.00 0.02 N ATOM 2273 CA ARG A 145 10.748 -0.812 1.641 1.00 0.01 C ATOM 2274 C ARG A 145 10.420 0.681 1.759 1.00 0.01 C ATOM 2275 O ARG A 145 10.307 1.384 0.774 1.00 0.01 O ATOM 2276 CB ARG A 145 12.207 -1.062 2.085 1.00 0.01 C ATOM 2277 CG ARG A 145 12.348 -2.472 2.696 1.00 0.02 C ATOM 2278 CD ARG A 145 11.981 -2.445 4.194 1.00 0.01 C ATOM 2279 NE ARG A 145 11.042 -1.320 4.466 1.00 0.01 N ATOM 2280 CZ ARG A 145 10.350 -1.301 5.572 1.00 0.01 C ATOM 2281 NH1 ARG A 145 10.471 -2.274 6.431 1.00 0.02 N ATOM 2282 NH2 ARG A 145 9.535 -0.312 5.816 1.00 0.01 N ATOM 0 H ARG A 145 11.084 -0.706 -0.475 1.00 0.02 H new ATOM 0 HA ARG A 145 10.071 -1.377 2.282 1.00 0.01 H new ATOM 0 HB2 ARG A 145 12.877 -0.960 1.231 1.00 0.01 H new ATOM 0 HB3 ARG A 145 12.506 -0.310 2.816 1.00 0.01 H new ATOM 0 HG2 ARG A 145 11.699 -3.171 2.168 1.00 0.02 H new ATOM 0 HG3 ARG A 145 13.370 -2.829 2.571 1.00 0.02 H new ATOM 0 HD2 ARG A 145 11.522 -3.391 4.482 1.00 0.01 H new ATOM 0 HD3 ARG A 145 12.882 -2.332 4.796 1.00 0.01 H new ATOM 0 HE ARG A 145 10.940 -0.565 3.788 1.00 0.01 H new ATOM 0 HH11 ARG A 145 11.106 -3.049 6.238 1.00 0.02 H new ATOM 0 HH12 ARG A 145 9.931 -2.261 7.296 1.00 0.02 H new ATOM 0 HH21 ARG A 145 9.438 0.447 5.142 1.00 0.01 H new ATOM 0 HH22 ARG A 145 8.994 -0.298 6.681 1.00 0.01 H new ATOM 2296 N GLY A 146 10.251 1.166 2.965 1.00 0.01 N ATOM 2297 CA GLY A 146 9.926 2.608 3.166 1.00 0.02 C ATOM 2298 C GLY A 146 8.412 2.825 3.104 1.00 0.01 C ATOM 2299 O GLY A 146 7.632 1.896 3.172 1.00 0.02 O ATOM 0 H GLY A 146 10.325 0.619 3.823 1.00 0.01 H new ATOM 0 HA2 GLY A 146 10.309 2.943 4.130 1.00 0.02 H new ATOM 0 HA3 GLY A 146 10.418 3.209 2.401 1.00 0.02 H new ATOM 2303 N ARG A 147 7.997 4.056 2.973 1.00 0.01 N ATOM 2304 CA ARG A 147 6.540 4.359 2.901 1.00 0.01 C ATOM 2305 C ARG A 147 5.990 3.828 1.580 1.00 0.01 C ATOM 2306 O ARG A 147 6.646 3.857 0.557 1.00 0.01 O ATOM 2307 CB ARG A 147 6.341 5.874 2.968 1.00 0.01 C ATOM 2308 CG ARG A 147 4.850 6.187 3.108 1.00 0.01 C ATOM 2309 CD ARG A 147 4.658 7.693 3.273 1.00 0.01 C ATOM 2310 NE ARG A 147 5.433 8.168 4.452 1.00 0.02 N ATOM 2311 CZ ARG A 147 5.663 9.442 4.611 1.00 0.02 C ATOM 2312 NH1 ARG A 147 5.205 10.302 3.741 1.00 0.01 N ATOM 2313 NH2 ARG A 147 6.349 9.857 5.641 1.00 0.02 N ATOM 0 H ARG A 147 8.609 4.869 2.912 1.00 0.01 H new ATOM 0 HA ARG A 147 6.016 3.887 3.732 1.00 0.01 H new ATOM 0 HB2 ARG A 147 6.891 6.287 3.814 1.00 0.01 H new ATOM 0 HB3 ARG A 147 6.739 6.344 2.069 1.00 0.01 H new ATOM 0 HG2 ARG A 147 4.310 5.835 2.229 1.00 0.01 H new ATOM 0 HG3 ARG A 147 4.436 5.661 3.968 1.00 0.01 H new ATOM 0 HD2 ARG A 147 4.989 8.213 2.374 1.00 0.01 H new ATOM 0 HD3 ARG A 147 3.601 7.923 3.403 1.00 0.01 H new ATOM 0 HE ARG A 147 5.784 7.497 5.135 1.00 0.02 H new ATOM 0 HH11 ARG A 147 4.667 9.977 2.937 1.00 0.01 H new ATOM 0 HH12 ARG A 147 5.385 11.298 3.865 1.00 0.01 H new ATOM 0 HH21 ARG A 147 6.705 9.185 6.321 1.00 0.02 H new ATOM 0 HH22 ARG A 147 6.529 10.853 5.766 1.00 0.02 H new ATOM 2327 N GLN A 148 4.792 3.299 1.619 1.00 0.01 N ATOM 2328 CA GLN A 148 4.168 2.706 0.398 1.00 0.01 C ATOM 2329 C GLN A 148 2.937 3.526 0.003 1.00 0.01 C ATOM 2330 O GLN A 148 2.256 4.084 0.840 1.00 0.01 O ATOM 2331 CB GLN A 148 3.732 1.270 0.745 1.00 0.00 C ATOM 2332 CG GLN A 148 4.722 0.656 1.739 1.00 0.02 C ATOM 2333 CD GLN A 148 4.490 -0.853 1.823 1.00 0.02 C ATOM 2334 OE1 GLN A 148 3.549 -1.366 1.250 1.00 0.02 O ATOM 2335 NE2 GLN A 148 5.310 -1.590 2.520 1.00 0.01 N ATOM 0 H GLN A 148 4.213 3.253 2.457 1.00 0.01 H new ATOM 0 HA GLN A 148 4.876 2.706 -0.431 1.00 0.01 H new ATOM 0 HB2 GLN A 148 2.730 1.277 1.173 1.00 0.00 H new ATOM 0 HB3 GLN A 148 3.688 0.664 -0.160 1.00 0.00 H new ATOM 0 HG2 GLN A 148 5.745 0.860 1.423 1.00 0.02 H new ATOM 0 HG3 GLN A 148 4.595 1.110 2.722 1.00 0.02 H new ATOM 0 HE21 GLN A 148 6.100 -1.159 3.001 1.00 0.01 H new ATOM 0 HE22 GLN A 148 5.162 -2.597 2.584 1.00 0.01 H new ATOM 2344 N TYR A 149 2.644 3.581 -1.271 1.00 0.01 N ATOM 2345 CA TYR A 149 1.447 4.335 -1.758 1.00 0.01 C ATOM 2346 C TYR A 149 0.564 3.379 -2.557 1.00 0.01 C ATOM 2347 O TYR A 149 1.049 2.620 -3.373 1.00 0.01 O ATOM 2348 CB TYR A 149 1.892 5.501 -2.643 1.00 0.01 C ATOM 2349 CG TYR A 149 2.953 6.304 -1.923 1.00 0.01 C ATOM 2350 CD1 TYR A 149 2.606 7.092 -0.818 1.00 0.01 C ATOM 2351 CD2 TYR A 149 4.282 6.260 -2.360 1.00 0.01 C ATOM 2352 CE1 TYR A 149 3.588 7.835 -0.151 1.00 0.01 C ATOM 2353 CE2 TYR A 149 5.264 7.003 -1.692 1.00 0.01 C ATOM 2354 CZ TYR A 149 4.917 7.790 -0.588 1.00 0.01 C ATOM 2355 OH TYR A 149 5.885 8.523 0.071 1.00 0.01 O ATOM 0 H TYR A 149 3.190 3.130 -2.005 1.00 0.01 H new ATOM 0 HA TYR A 149 0.888 4.736 -0.912 1.00 0.01 H new ATOM 0 HB2 TYR A 149 2.284 5.125 -3.588 1.00 0.01 H new ATOM 0 HB3 TYR A 149 1.039 6.136 -2.882 1.00 0.01 H new ATOM 0 HD1 TYR A 149 1.581 7.127 -0.480 1.00 0.01 H new ATOM 0 HD2 TYR A 149 4.550 5.653 -3.212 1.00 0.01 H new ATOM 0 HE1 TYR A 149 3.320 8.443 0.701 1.00 0.01 H new ATOM 0 HE2 TYR A 149 6.289 6.968 -2.029 1.00 0.01 H new ATOM 0 HH TYR A 149 6.737 8.041 0.041 1.00 0.01 H new ATOM 2365 N LEU A 150 -0.721 3.377 -2.323 1.00 0.01 N ATOM 2366 CA LEU A 150 -1.610 2.434 -3.064 1.00 0.01 C ATOM 2367 C LEU A 150 -2.193 3.142 -4.284 1.00 0.01 C ATOM 2368 O LEU A 150 -2.847 4.160 -4.175 1.00 0.01 O ATOM 2369 CB LEU A 150 -2.738 1.998 -2.121 1.00 0.01 C ATOM 2370 CG LEU A 150 -3.576 0.871 -2.765 1.00 0.01 C ATOM 2371 CD1 LEU A 150 -2.955 -0.494 -2.446 1.00 0.01 C ATOM 2372 CD2 LEU A 150 -5.008 0.908 -2.209 1.00 0.01 C ATOM 0 H LEU A 150 -1.193 3.985 -1.653 1.00 0.01 H new ATOM 0 HA LEU A 150 -1.049 1.562 -3.399 1.00 0.01 H new ATOM 0 HB2 LEU A 150 -2.317 1.652 -1.177 1.00 0.01 H new ATOM 0 HB3 LEU A 150 -3.378 2.850 -1.892 1.00 0.01 H new ATOM 0 HG LEU A 150 -3.593 1.021 -3.845 1.00 0.01 H new ATOM 0 HD11 LEU A 150 -3.553 -1.282 -2.904 1.00 0.01 H new ATOM 0 HD12 LEU A 150 -1.940 -0.533 -2.841 1.00 0.01 H new ATOM 0 HD13 LEU A 150 -2.930 -0.639 -1.366 1.00 0.01 H new ATOM 0 HD21 LEU A 150 -5.596 0.112 -2.665 1.00 0.01 H new ATOM 0 HD22 LEU A 150 -4.983 0.767 -1.129 1.00 0.01 H new ATOM 0 HD23 LEU A 150 -5.463 1.872 -2.438 1.00 0.01 H new ATOM 2384 N LEU A 151 -1.963 2.602 -5.452 1.00 0.01 N ATOM 2385 CA LEU A 151 -2.504 3.224 -6.694 1.00 0.01 C ATOM 2386 C LEU A 151 -3.851 2.582 -7.022 1.00 0.01 C ATOM 2387 O LEU A 151 -4.080 1.423 -6.732 1.00 0.01 O ATOM 2388 CB LEU A 151 -1.526 2.984 -7.851 1.00 0.01 C ATOM 2389 CG LEU A 151 -0.364 3.976 -7.763 1.00 0.01 C ATOM 2390 CD1 LEU A 151 0.407 3.757 -6.459 1.00 0.01 C ATOM 2391 CD2 LEU A 151 0.573 3.762 -8.954 1.00 0.01 C ATOM 0 H LEU A 151 -1.420 1.751 -5.599 1.00 0.01 H new ATOM 0 HA LEU A 151 -2.632 4.296 -6.547 1.00 0.01 H new ATOM 0 HB2 LEU A 151 -1.148 1.963 -7.813 1.00 0.01 H new ATOM 0 HB3 LEU A 151 -2.042 3.098 -8.805 1.00 0.01 H new ATOM 0 HG LEU A 151 -0.754 4.994 -7.781 1.00 0.01 H new ATOM 0 HD11 LEU A 151 1.233 4.466 -6.401 1.00 0.01 H new ATOM 0 HD12 LEU A 151 -0.261 3.909 -5.611 1.00 0.01 H new ATOM 0 HD13 LEU A 151 0.799 2.740 -6.434 1.00 0.01 H new ATOM 0 HD21 LEU A 151 1.403 4.467 -8.896 1.00 0.01 H new ATOM 0 HD22 LEU A 151 0.960 2.743 -8.934 1.00 0.01 H new ATOM 0 HD23 LEU A 151 0.025 3.923 -9.882 1.00 0.01 H new ATOM 2403 N ASP A 152 -4.743 3.325 -7.626 1.00 0.01 N ATOM 2404 CA ASP A 152 -6.087 2.770 -7.981 1.00 0.01 C ATOM 2405 C ASP A 152 -6.171 2.585 -9.497 1.00 0.00 C ATOM 2406 O ASP A 152 -5.213 2.800 -10.212 1.00 0.01 O ATOM 2407 CB ASP A 152 -7.175 3.747 -7.526 1.00 1.04 C ATOM 2408 CG ASP A 152 -7.194 3.814 -5.997 1.00 1.54 C ATOM 2409 OD1 ASP A 152 -6.127 3.760 -5.408 1.00 1.57 O ATOM 2410 OD2 ASP A 152 -8.274 3.920 -5.441 1.00 2.27 O ATOM 0 H ASP A 152 -4.598 4.299 -7.891 1.00 0.01 H new ATOM 0 HA ASP A 152 -6.230 1.809 -7.487 1.00 0.01 H new ATOM 0 HB2 ASP A 152 -6.987 4.737 -7.942 1.00 1.04 H new ATOM 0 HB3 ASP A 152 -8.147 3.424 -7.899 1.00 1.04 H new ATOM 2415 N LYS A 153 -7.309 2.185 -9.991 1.00 0.01 N ATOM 2416 CA LYS A 153 -7.453 1.983 -11.460 1.00 0.01 C ATOM 2417 C LYS A 153 -7.536 3.343 -12.157 1.00 0.01 C ATOM 2418 O LYS A 153 -8.126 3.473 -13.212 1.00 0.01 O ATOM 2419 CB LYS A 153 -8.727 1.186 -11.740 1.00 0.38 C ATOM 2420 CG LYS A 153 -9.919 1.875 -11.071 1.00 0.71 C ATOM 2421 CD LYS A 153 -11.195 1.080 -11.354 1.00 0.72 C ATOM 2422 CE LYS A 153 -12.401 1.808 -10.753 1.00 1.09 C ATOM 2423 NZ LYS A 153 -12.228 1.929 -9.277 1.00 1.84 N ATOM 0 H LYS A 153 -8.146 1.989 -9.441 1.00 0.01 H new ATOM 0 HA LYS A 153 -6.590 1.435 -11.839 1.00 0.01 H new ATOM 0 HB2 LYS A 153 -8.893 1.111 -12.815 1.00 0.38 H new ATOM 0 HB3 LYS A 153 -8.623 0.169 -11.362 1.00 0.38 H new ATOM 0 HG2 LYS A 153 -9.754 1.947 -9.996 1.00 0.71 H new ATOM 0 HG3 LYS A 153 -10.022 2.893 -11.447 1.00 0.71 H new ATOM 0 HD2 LYS A 153 -11.329 0.960 -12.429 1.00 0.72 H new ATOM 0 HD3 LYS A 153 -11.113 0.079 -10.929 1.00 0.72 H new ATOM 0 HE2 LYS A 153 -12.501 2.797 -11.200 1.00 1.09 H new ATOM 0 HE3 LYS A 153 -13.317 1.262 -10.978 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 -13.144 2.152 -8.837 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 -11.870 1.031 -8.895 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 -11.549 2.689 -9.068 1.00 1.84 H new ATOM 2437 N LYS A 154 -6.951 4.358 -11.571 1.00 0.00 N ATOM 2438 CA LYS A 154 -6.984 5.725 -12.181 1.00 0.01 C ATOM 2439 C LYS A 154 -5.572 6.119 -12.619 1.00 0.01 C ATOM 2440 O LYS A 154 -4.614 5.413 -12.367 1.00 0.00 O ATOM 2441 CB LYS A 154 -7.484 6.731 -11.139 1.00 0.39 C ATOM 2442 CG LYS A 154 -8.823 6.258 -10.564 1.00 0.48 C ATOM 2443 CD LYS A 154 -9.223 7.159 -9.395 1.00 0.97 C ATOM 2444 CE LYS A 154 -10.511 6.634 -8.757 1.00 1.44 C ATOM 2445 NZ LYS A 154 -11.543 6.434 -9.812 1.00 2.28 N ATOM 0 H LYS A 154 -6.446 4.298 -10.687 1.00 0.00 H new ATOM 0 HA LYS A 154 -7.650 5.724 -13.044 1.00 0.01 H new ATOM 0 HB2 LYS A 154 -6.751 6.835 -10.339 1.00 0.39 H new ATOM 0 HB3 LYS A 154 -7.600 7.714 -11.595 1.00 0.39 H new ATOM 0 HG2 LYS A 154 -9.592 6.284 -11.336 1.00 0.48 H new ATOM 0 HG3 LYS A 154 -8.742 5.224 -10.229 1.00 0.48 H new ATOM 0 HD2 LYS A 154 -8.424 7.186 -8.654 1.00 0.97 H new ATOM 0 HD3 LYS A 154 -9.369 8.181 -9.744 1.00 0.97 H new ATOM 0 HE2 LYS A 154 -10.317 5.694 -8.241 1.00 1.44 H new ATOM 0 HE3 LYS A 154 -10.873 7.340 -8.009 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 -12.485 6.394 -9.373 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 -11.508 7.225 -10.486 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 -11.357 5.543 -10.315 1.00 2.28 H new ATOM 2459 N GLU A 155 -5.438 7.247 -13.272 1.00 0.01 N ATOM 2460 CA GLU A 155 -4.091 7.712 -13.734 1.00 0.01 C ATOM 2461 C GLU A 155 -3.638 8.877 -12.851 1.00 0.01 C ATOM 2462 O GLU A 155 -4.417 9.744 -12.512 1.00 0.01 O ATOM 2463 CB GLU A 155 -4.189 8.182 -15.187 1.00 0.01 C ATOM 2464 CG GLU A 155 -4.739 7.048 -16.055 1.00 0.01 C ATOM 2465 CD GLU A 155 -6.239 6.891 -15.804 1.00 0.01 C ATOM 2466 OE1 GLU A 155 -6.968 7.830 -16.079 1.00 0.01 O ATOM 2467 OE2 GLU A 155 -6.635 5.834 -15.342 1.00 0.01 O ATOM 0 H GLU A 155 -6.210 7.871 -13.507 1.00 0.01 H new ATOM 0 HA GLU A 155 -3.372 6.895 -13.665 1.00 0.01 H new ATOM 0 HB2 GLU A 155 -4.839 9.054 -15.255 1.00 0.01 H new ATOM 0 HB3 GLU A 155 -3.207 8.487 -15.548 1.00 0.01 H new ATOM 0 HG2 GLU A 155 -4.557 7.262 -17.108 1.00 0.01 H new ATOM 0 HG3 GLU A 155 -4.222 6.117 -15.824 1.00 0.01 H new ATOM 2474 N TYR A 156 -2.385 8.898 -12.465 1.00 0.00 N ATOM 2475 CA TYR A 156 -1.879 9.997 -11.586 1.00 0.01 C ATOM 2476 C TYR A 156 -1.094 11.019 -12.413 1.00 0.01 C ATOM 2477 O TYR A 156 -0.067 10.710 -12.993 1.00 0.01 O ATOM 2478 CB TYR A 156 -0.988 9.381 -10.504 1.00 0.01 C ATOM 2479 CG TYR A 156 -1.821 8.437 -9.672 1.00 0.00 C ATOM 2480 CD1 TYR A 156 -1.992 7.108 -10.079 1.00 0.01 C ATOM 2481 CD2 TYR A 156 -2.435 8.894 -8.500 1.00 0.01 C ATOM 2482 CE1 TYR A 156 -2.779 6.239 -9.313 1.00 0.01 C ATOM 2483 CE2 TYR A 156 -3.218 8.025 -7.735 1.00 0.01 C ATOM 2484 CZ TYR A 156 -3.392 6.697 -8.142 1.00 0.01 C ATOM 2485 OH TYR A 156 -4.171 5.842 -7.389 1.00 0.01 O ATOM 0 H TYR A 156 -1.689 8.198 -12.722 1.00 0.00 H new ATOM 0 HA TYR A 156 -2.716 10.517 -11.120 1.00 0.01 H new ATOM 0 HB2 TYR A 156 -0.154 8.848 -10.960 1.00 0.01 H new ATOM 0 HB3 TYR A 156 -0.561 10.163 -9.876 1.00 0.01 H new ATOM 0 HD1 TYR A 156 -1.518 6.754 -10.982 1.00 0.01 H new ATOM 0 HD2 TYR A 156 -2.304 9.919 -8.187 1.00 0.01 H new ATOM 0 HE1 TYR A 156 -2.913 5.214 -9.627 1.00 0.01 H new ATOM 0 HE2 TYR A 156 -3.689 8.378 -6.830 1.00 0.01 H new ATOM 0 HH TYR A 156 -4.521 6.320 -6.608 1.00 0.01 H new ATOM 2495 N ARG A 157 -1.596 12.229 -12.514 1.00 0.01 N ATOM 2496 CA ARG A 157 -0.915 13.263 -13.348 1.00 0.01 C ATOM 2497 C ARG A 157 0.159 13.999 -12.550 1.00 0.00 C ATOM 2498 O ARG A 157 1.129 14.466 -13.111 1.00 0.01 O ATOM 2499 CB ARG A 157 -1.956 14.278 -13.824 1.00 0.01 C ATOM 2500 CG ARG A 157 -3.002 13.581 -14.705 1.00 0.01 C ATOM 2501 CD ARG A 157 -4.293 14.411 -14.728 1.00 0.00 C ATOM 2502 NE ARG A 157 -3.952 15.858 -14.645 1.00 0.01 N ATOM 2503 CZ ARG A 157 -4.850 16.758 -14.941 1.00 0.01 C ATOM 2504 NH1 ARG A 157 -6.048 16.388 -15.305 1.00 0.01 N ATOM 2505 NH2 ARG A 157 -4.552 18.026 -14.871 1.00 0.01 N ATOM 0 H ARG A 157 -2.450 12.542 -12.052 1.00 0.01 H new ATOM 0 HA ARG A 157 -0.439 12.766 -14.193 1.00 0.01 H new ATOM 0 HB2 ARG A 157 -2.442 14.743 -12.966 1.00 0.01 H new ATOM 0 HB3 ARG A 157 -1.469 15.076 -14.385 1.00 0.01 H new ATOM 0 HG2 ARG A 157 -2.617 13.461 -15.718 1.00 0.01 H new ATOM 0 HG3 ARG A 157 -3.207 12.582 -14.321 1.00 0.01 H new ATOM 0 HD2 ARG A 157 -4.852 14.210 -15.642 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -4.935 14.129 -13.893 1.00 0.00 H new ATOM 0 HE ARG A 157 -3.017 16.146 -14.357 1.00 0.01 H new ATOM 0 HH11 ARG A 157 -6.282 15.396 -15.358 1.00 0.01 H new ATOM 0 HH12 ARG A 157 -6.750 17.090 -15.536 1.00 0.01 H new ATOM 0 HH21 ARG A 157 -3.617 18.315 -14.585 1.00 0.01 H new ATOM 0 HH22 ARG A 157 -5.254 18.728 -15.103 1.00 0.01 H new ATOM 2519 N LYS A 158 0.011 14.113 -11.253 1.00 0.01 N ATOM 2520 CA LYS A 158 1.046 14.814 -10.426 1.00 0.01 C ATOM 2521 C LYS A 158 1.529 13.833 -9.346 1.00 0.01 C ATOM 2522 O LYS A 158 0.791 12.955 -8.947 1.00 0.01 O ATOM 2523 CB LYS A 158 0.406 16.045 -9.761 1.00 0.58 C ATOM 2524 CG LYS A 158 0.416 17.229 -10.740 1.00 0.97 C ATOM 2525 CD LYS A 158 -0.560 18.323 -10.264 1.00 1.44 C ATOM 2526 CE LYS A 158 -1.970 18.046 -10.798 1.00 2.13 C ATOM 2527 NZ LYS A 158 -2.067 18.525 -12.206 1.00 2.54 N ATOM 0 H LYS A 158 -0.785 13.750 -10.728 1.00 0.01 H new ATOM 0 HA LYS A 158 1.884 15.138 -11.043 1.00 0.01 H new ATOM 0 HB2 LYS A 158 -0.617 15.817 -9.462 1.00 0.58 H new ATOM 0 HB3 LYS A 158 0.953 16.306 -8.855 1.00 0.58 H new ATOM 0 HG2 LYS A 158 1.423 17.638 -10.816 1.00 0.97 H new ATOM 0 HG3 LYS A 158 0.134 16.889 -11.736 1.00 0.97 H new ATOM 0 HD2 LYS A 158 -0.576 18.357 -9.175 1.00 1.44 H new ATOM 0 HD3 LYS A 158 -0.219 19.299 -10.608 1.00 1.44 H new ATOM 0 HE2 LYS A 158 -2.187 16.979 -10.749 1.00 2.13 H new ATOM 0 HE3 LYS A 158 -2.711 18.550 -10.178 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 -3.037 18.385 -12.554 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 -1.827 19.536 -12.246 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 -1.404 17.989 -12.802 1.00 2.54 H new ATOM 2541 N PRO A 159 2.734 13.971 -8.845 1.00 0.01 N ATOM 2542 CA PRO A 159 3.209 13.045 -7.780 1.00 0.02 C ATOM 2543 C PRO A 159 2.329 13.168 -6.532 1.00 0.01 C ATOM 2544 O PRO A 159 1.983 12.185 -5.913 1.00 0.01 O ATOM 2545 CB PRO A 159 4.650 13.533 -7.536 1.00 0.41 C ATOM 2546 CG PRO A 159 4.818 14.891 -8.245 1.00 0.70 C ATOM 2547 CD PRO A 159 3.689 15.029 -9.278 1.00 0.28 C ATOM 0 HA PRO A 159 3.166 11.989 -8.047 1.00 0.02 H new ATOM 0 HB2 PRO A 159 4.843 13.634 -6.468 1.00 0.41 H new ATOM 0 HB3 PRO A 159 5.368 12.810 -7.922 1.00 0.41 H new ATOM 0 HG2 PRO A 159 4.775 15.706 -7.523 1.00 0.70 H new ATOM 0 HG3 PRO A 159 5.791 14.948 -8.733 1.00 0.70 H new ATOM 0 HD2 PRO A 159 3.236 16.020 -9.256 1.00 0.28 H new ATOM 0 HD3 PRO A 159 4.045 14.864 -10.295 1.00 0.28 H new ATOM 2555 N VAL A 160 1.965 14.354 -6.153 1.00 0.01 N ATOM 2556 CA VAL A 160 1.110 14.511 -4.944 1.00 0.02 C ATOM 2557 C VAL A 160 -0.217 13.777 -5.164 1.00 0.02 C ATOM 2558 O VAL A 160 -0.938 13.491 -4.230 1.00 0.02 O ATOM 2559 CB VAL A 160 0.843 15.999 -4.703 1.00 0.14 C ATOM 2560 CG1 VAL A 160 -0.161 16.162 -3.558 1.00 0.86 C ATOM 2561 CG2 VAL A 160 2.155 16.694 -4.333 1.00 0.74 C ATOM 0 H VAL A 160 2.220 15.222 -6.624 1.00 0.01 H new ATOM 0 HA VAL A 160 1.617 14.089 -4.076 1.00 0.02 H new ATOM 0 HB VAL A 160 0.433 16.447 -5.608 1.00 0.14 H new ATOM 0 HG11 VAL A 160 -0.350 17.222 -3.388 1.00 0.86 H new ATOM 0 HG12 VAL A 160 -1.095 15.664 -3.819 1.00 0.86 H new ATOM 0 HG13 VAL A 160 0.246 15.716 -2.651 1.00 0.86 H new ATOM 0 HG21 VAL A 160 1.969 17.754 -4.161 1.00 0.74 H new ATOM 0 HG22 VAL A 160 2.562 16.245 -3.427 1.00 0.74 H new ATOM 0 HG23 VAL A 160 2.870 16.579 -5.148 1.00 0.74 H new ATOM 2571 N ASP A 161 -0.559 13.484 -6.388 1.00 0.00 N ATOM 2572 CA ASP A 161 -1.854 12.794 -6.645 1.00 0.01 C ATOM 2573 C ASP A 161 -1.871 11.372 -6.061 1.00 0.01 C ATOM 2574 O ASP A 161 -2.932 10.813 -5.857 1.00 0.01 O ATOM 2575 CB ASP A 161 -2.097 12.715 -8.154 1.00 0.00 C ATOM 2576 CG ASP A 161 -3.514 12.205 -8.418 1.00 0.02 C ATOM 2577 OD1 ASP A 161 -4.277 12.114 -7.471 1.00 0.00 O ATOM 2578 OD2 ASP A 161 -3.811 11.912 -9.565 1.00 0.00 O ATOM 0 H ASP A 161 -0.002 13.691 -7.217 1.00 0.00 H new ATOM 0 HA ASP A 161 -2.640 13.371 -6.158 1.00 0.01 H new ATOM 0 HB2 ASP A 161 -1.963 13.698 -8.606 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -1.368 12.049 -8.616 1.00 0.00 H new ATOM 2583 N TRP A 162 -0.724 10.785 -5.757 1.00 0.01 N ATOM 2584 CA TRP A 162 -0.736 9.401 -5.149 1.00 0.01 C ATOM 2585 C TRP A 162 -0.498 9.488 -3.633 1.00 0.01 C ATOM 2586 O TRP A 162 -0.267 8.494 -2.976 1.00 0.01 O ATOM 2587 CB TRP A 162 0.280 8.445 -5.807 1.00 0.01 C ATOM 2588 CG TRP A 162 1.616 9.075 -6.032 1.00 0.02 C ATOM 2589 CD1 TRP A 162 2.335 9.751 -5.113 1.00 0.01 C ATOM 2590 CD2 TRP A 162 2.423 9.042 -7.243 1.00 0.01 C ATOM 2591 NE1 TRP A 162 3.530 10.153 -5.693 1.00 0.01 N ATOM 2592 CE2 TRP A 162 3.629 9.736 -7.003 1.00 0.01 C ATOM 2593 CE3 TRP A 162 2.221 8.486 -8.519 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 4.604 9.873 -7.993 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 3.198 8.622 -9.517 1.00 0.01 C ATOM 2596 CH2 TRP A 162 4.387 9.313 -9.254 1.00 0.01 C ATOM 0 H TRP A 162 0.200 11.193 -5.900 1.00 0.01 H new ATOM 0 HA TRP A 162 -1.723 8.978 -5.338 1.00 0.01 H new ATOM 0 HB2 TRP A 162 0.402 7.564 -5.177 1.00 0.01 H new ATOM 0 HB3 TRP A 162 -0.119 8.102 -6.762 1.00 0.01 H new ATOM 0 HD1 TRP A 162 2.031 9.947 -4.095 1.00 0.01 H new ATOM 0 HE1 TRP A 162 4.248 10.692 -5.209 1.00 0.01 H new ATOM 0 HE3 TRP A 162 1.308 7.951 -8.732 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 5.519 10.408 -7.785 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 3.032 8.191 -10.493 1.00 0.01 H new ATOM 0 HH2 TRP A 162 5.136 9.413 -10.026 1.00 0.01 H new ATOM 2607 N GLY A 163 -0.624 10.663 -3.066 1.00 0.02 N ATOM 2608 CA GLY A 163 -0.481 10.810 -1.582 1.00 0.01 C ATOM 2609 C GLY A 163 0.974 11.004 -1.135 1.00 0.01 C ATOM 2610 O GLY A 163 1.273 10.934 0.041 1.00 0.01 O ATOM 0 H GLY A 163 -0.820 11.529 -3.568 1.00 0.02 H new ATOM 0 HA2 GLY A 163 -1.074 11.661 -1.248 1.00 0.01 H new ATOM 0 HA3 GLY A 163 -0.890 9.925 -1.094 1.00 0.01 H new ATOM 2614 N ALA A 164 1.884 11.235 -2.044 1.00 0.01 N ATOM 2615 CA ALA A 164 3.317 11.416 -1.643 1.00 0.02 C ATOM 2616 C ALA A 164 3.673 12.903 -1.632 1.00 0.01 C ATOM 2617 O ALA A 164 3.267 13.662 -2.488 1.00 0.02 O ATOM 2618 CB ALA A 164 4.216 10.729 -2.666 1.00 0.01 C ATOM 0 H ALA A 164 1.701 11.307 -3.045 1.00 0.01 H new ATOM 0 HA ALA A 164 3.460 10.988 -0.651 1.00 0.02 H new ATOM 0 HB1 ALA A 164 5.259 10.858 -2.378 1.00 0.01 H new ATOM 0 HB2 ALA A 164 3.979 9.666 -2.703 1.00 0.01 H new ATOM 0 HB3 ALA A 164 4.053 11.172 -3.649 1.00 0.01 H new ATOM 2624 N ALA A 165 4.444 13.312 -0.663 1.00 0.02 N ATOM 2625 CA ALA A 165 4.856 14.741 -0.571 1.00 0.01 C ATOM 2626 C ALA A 165 6.076 14.981 -1.465 1.00 0.02 C ATOM 2627 O ALA A 165 6.505 16.103 -1.644 1.00 0.01 O ATOM 2628 CB ALA A 165 5.221 15.081 0.876 1.00 0.59 C ATOM 0 H ALA A 165 4.810 12.712 0.076 1.00 0.02 H new ATOM 0 HA ALA A 165 4.030 15.373 -0.898 1.00 0.01 H new ATOM 0 HB1 ALA A 165 5.522 16.127 0.939 1.00 0.59 H new ATOM 0 HB2 ALA A 165 4.357 14.912 1.518 1.00 0.59 H new ATOM 0 HB3 ALA A 165 6.045 14.446 1.202 1.00 0.59 H new ATOM 2634 N SER A 166 6.637 13.940 -2.033 1.00 0.01 N ATOM 2635 CA SER A 166 7.829 14.111 -2.924 1.00 0.01 C ATOM 2636 C SER A 166 7.709 13.147 -4.122 1.00 0.02 C ATOM 2637 O SER A 166 7.135 12.083 -3.990 1.00 0.01 O ATOM 2638 CB SER A 166 9.096 13.777 -2.132 1.00 0.72 C ATOM 2639 OG SER A 166 9.065 12.406 -1.756 1.00 0.87 O ATOM 0 H SER A 166 6.320 12.977 -1.918 1.00 0.01 H new ATOM 0 HA SER A 166 7.878 15.139 -3.284 1.00 0.01 H new ATOM 0 HB2 SER A 166 9.981 13.981 -2.735 1.00 0.72 H new ATOM 0 HB3 SER A 166 9.162 14.408 -1.246 1.00 0.72 H new ATOM 0 HG SER A 166 9.875 12.187 -1.250 1.00 0.87 H new ATOM 2645 N PRO A 167 8.249 13.482 -5.283 1.00 0.02 N ATOM 2646 CA PRO A 167 8.165 12.560 -6.454 1.00 0.01 C ATOM 2647 C PRO A 167 9.115 11.366 -6.312 1.00 0.01 C ATOM 2648 O PRO A 167 9.433 10.696 -7.279 1.00 0.01 O ATOM 2649 CB PRO A 167 8.610 13.472 -7.609 1.00 0.38 C ATOM 2650 CG PRO A 167 9.407 14.631 -6.992 1.00 0.35 C ATOM 2651 CD PRO A 167 8.959 14.776 -5.528 1.00 0.22 C ATOM 0 HA PRO A 167 7.177 12.118 -6.583 1.00 0.01 H new ATOM 0 HB2 PRO A 167 9.223 12.920 -8.321 1.00 0.38 H new ATOM 0 HB3 PRO A 167 7.746 13.848 -8.157 1.00 0.38 H new ATOM 0 HG2 PRO A 167 10.477 14.432 -7.047 1.00 0.35 H new ATOM 0 HG3 PRO A 167 9.226 15.555 -7.541 1.00 0.35 H new ATOM 0 HD2 PRO A 167 9.806 14.909 -4.855 1.00 0.22 H new ATOM 0 HD3 PRO A 167 8.302 15.634 -5.387 1.00 0.22 H new ATOM 2659 N ALA A 168 9.597 11.111 -5.124 1.00 0.01 N ATOM 2660 CA ALA A 168 10.550 9.981 -4.949 1.00 0.01 C ATOM 2661 C ALA A 168 9.804 8.653 -4.823 1.00 0.01 C ATOM 2662 O ALA A 168 9.021 8.435 -3.923 1.00 0.02 O ATOM 2663 CB ALA A 168 11.379 10.211 -3.685 1.00 0.18 C ATOM 0 H ALA A 168 9.374 11.632 -4.276 1.00 0.01 H new ATOM 0 HA ALA A 168 11.198 9.936 -5.824 1.00 0.01 H new ATOM 0 HB1 ALA A 168 12.078 9.385 -3.553 1.00 0.18 H new ATOM 0 HB2 ALA A 168 11.933 11.145 -3.778 1.00 0.18 H new ATOM 0 HB3 ALA A 168 10.717 10.267 -2.821 1.00 0.18 H new ATOM 2669 N ILE A 169 10.097 7.769 -5.735 1.00 0.01 N ATOM 2670 CA ILE A 169 9.487 6.408 -5.761 1.00 0.01 C ATOM 2671 C ILE A 169 10.548 5.492 -6.384 1.00 0.01 C ATOM 2672 O ILE A 169 11.053 5.772 -7.454 1.00 0.01 O ATOM 2673 CB ILE A 169 8.193 6.459 -6.617 1.00 1.81 C ATOM 2674 CG1 ILE A 169 6.957 6.771 -5.722 1.00 2.75 C ATOM 2675 CG2 ILE A 169 7.975 5.122 -7.346 1.00 2.24 C ATOM 2676 CD1 ILE A 169 5.963 7.667 -6.478 1.00 3.99 C ATOM 0 H ILE A 169 10.759 7.940 -6.492 1.00 0.01 H new ATOM 0 HA ILE A 169 9.206 6.042 -4.773 1.00 0.01 H new ATOM 0 HB ILE A 169 8.308 7.253 -7.355 1.00 1.81 H new ATOM 0 HG12 ILE A 169 6.469 5.842 -5.428 1.00 2.75 H new ATOM 0 HG13 ILE A 169 7.279 7.266 -4.806 1.00 2.75 H new ATOM 0 HG21 ILE A 169 7.063 5.176 -7.941 1.00 2.24 H new ATOM 0 HG22 ILE A 169 8.824 4.922 -8.000 1.00 2.24 H new ATOM 0 HG23 ILE A 169 7.883 4.319 -6.614 1.00 2.24 H new ATOM 0 HD11 ILE A 169 5.104 7.877 -5.840 1.00 3.99 H new ATOM 0 HD12 ILE A 169 6.451 8.603 -6.749 1.00 3.99 H new ATOM 0 HD13 ILE A 169 5.628 7.157 -7.381 1.00 3.99 H new ATOM 2688 N GLN A 170 10.933 4.434 -5.704 1.00 0.01 N ATOM 2689 CA GLN A 170 12.015 3.540 -6.237 1.00 0.01 C ATOM 2690 C GLN A 170 11.509 2.151 -6.637 1.00 0.02 C ATOM 2691 O GLN A 170 12.232 1.422 -7.286 1.00 0.01 O ATOM 2692 CB GLN A 170 13.091 3.380 -5.161 1.00 2.62 C ATOM 2693 CG GLN A 170 13.841 4.702 -4.983 1.00 3.39 C ATOM 2694 CD GLN A 170 14.817 4.905 -6.144 1.00 4.36 C ATOM 2695 OE1 GLN A 170 15.539 5.881 -6.180 1.00 4.83 O ATOM 2696 NE2 GLN A 170 14.872 4.020 -7.101 1.00 5.17 N ATOM 0 H GLN A 170 10.545 4.152 -4.804 1.00 0.01 H new ATOM 0 HA GLN A 170 12.408 4.010 -7.138 1.00 0.01 H new ATOM 0 HB2 GLN A 170 12.634 3.080 -4.218 1.00 2.62 H new ATOM 0 HB3 GLN A 170 13.787 2.591 -5.444 1.00 2.62 H new ATOM 0 HG2 GLN A 170 13.133 5.530 -4.942 1.00 3.39 H new ATOM 0 HG3 GLN A 170 14.382 4.699 -4.037 1.00 3.39 H new ATOM 0 HE21 GLN A 170 14.266 3.200 -7.072 1.00 5.17 H new ATOM 0 HE22 GLN A 170 15.521 4.148 -7.878 1.00 5.17 H new ATOM 2705 N SER A 171 10.317 1.725 -6.290 1.00 0.01 N ATOM 2706 CA SER A 171 9.911 0.347 -6.719 1.00 0.01 C ATOM 2707 C SER A 171 8.390 0.221 -6.733 1.00 0.01 C ATOM 2708 O SER A 171 7.680 0.973 -6.096 1.00 0.01 O ATOM 2709 CB SER A 171 10.488 -0.677 -5.748 1.00 0.01 C ATOM 2710 OG SER A 171 11.882 -0.460 -5.622 1.00 0.02 O ATOM 0 H SER A 171 9.629 2.249 -5.748 1.00 0.01 H new ATOM 0 HA SER A 171 10.293 0.166 -7.724 1.00 0.01 H new ATOM 0 HB2 SER A 171 10.004 -0.588 -4.775 1.00 0.01 H new ATOM 0 HB3 SER A 171 10.296 -1.688 -6.108 1.00 0.01 H new ATOM 0 HG SER A 171 12.346 -1.323 -5.595 1.00 0.02 H new ATOM 2716 N PHE A 172 7.885 -0.759 -7.438 1.00 0.01 N ATOM 2717 CA PHE A 172 6.407 -0.964 -7.474 1.00 0.01 C ATOM 2718 C PHE A 172 6.092 -2.445 -7.712 1.00 0.01 C ATOM 2719 O PHE A 172 6.885 -3.177 -8.277 1.00 0.01 O ATOM 2720 CB PHE A 172 5.770 -0.101 -8.571 1.00 1.06 C ATOM 2721 CG PHE A 172 6.433 -0.347 -9.908 1.00 0.75 C ATOM 2722 CD1 PHE A 172 6.156 -1.517 -10.626 1.00 0.75 C ATOM 2723 CD2 PHE A 172 7.308 0.606 -10.440 1.00 1.29 C ATOM 2724 CE1 PHE A 172 6.756 -1.735 -11.872 1.00 1.16 C ATOM 2725 CE2 PHE A 172 7.908 0.390 -11.687 1.00 2.02 C ATOM 2726 CZ PHE A 172 7.632 -0.780 -12.403 1.00 1.92 C ATOM 0 H PHE A 172 8.430 -1.423 -7.988 1.00 0.01 H new ATOM 0 HA PHE A 172 5.988 -0.662 -6.514 1.00 0.01 H new ATOM 0 HB2 PHE A 172 4.706 -0.325 -8.642 1.00 1.06 H new ATOM 0 HB3 PHE A 172 5.857 0.953 -8.306 1.00 1.06 H new ATOM 0 HD1 PHE A 172 5.478 -2.252 -10.218 1.00 0.75 H new ATOM 0 HD2 PHE A 172 7.521 1.510 -9.888 1.00 1.29 H new ATOM 0 HE1 PHE A 172 6.543 -2.639 -12.423 1.00 1.16 H new ATOM 0 HE2 PHE A 172 8.584 1.127 -12.096 1.00 2.02 H new ATOM 0 HZ PHE A 172 8.094 -0.947 -13.365 1.00 1.92 H new ATOM 2736 N ARG A 173 4.952 -2.902 -7.256 1.00 0.01 N ATOM 2737 CA ARG A 173 4.593 -4.347 -7.426 1.00 0.01 C ATOM 2738 C ARG A 173 3.093 -4.489 -7.690 1.00 0.01 C ATOM 2739 O ARG A 173 2.283 -3.714 -7.220 1.00 0.01 O ATOM 2740 CB ARG A 173 4.911 -5.110 -6.131 1.00 0.01 C ATOM 2741 CG ARG A 173 6.420 -5.244 -5.928 1.00 0.01 C ATOM 2742 CD ARG A 173 6.698 -5.707 -4.490 1.00 0.01 C ATOM 2743 NE ARG A 173 5.627 -6.643 -4.047 1.00 0.01 N ATOM 2744 CZ ARG A 173 5.812 -7.397 -2.997 1.00 0.01 C ATOM 2745 NH1 ARG A 173 6.935 -7.332 -2.333 1.00 0.01 N ATOM 2746 NH2 ARG A 173 4.873 -8.218 -2.611 1.00 0.01 N ATOM 0 H ARG A 173 4.253 -2.338 -6.773 1.00 0.01 H new ATOM 0 HA ARG A 173 5.164 -4.748 -8.264 1.00 0.01 H new ATOM 0 HB2 ARG A 173 4.471 -4.589 -5.281 1.00 0.01 H new ATOM 0 HB3 ARG A 173 4.456 -6.100 -6.168 1.00 0.01 H new ATOM 0 HG2 ARG A 173 6.832 -5.960 -6.639 1.00 0.01 H new ATOM 0 HG3 ARG A 173 6.910 -4.289 -6.116 1.00 0.01 H new ATOM 0 HD2 ARG A 173 7.669 -6.199 -4.438 1.00 0.01 H new ATOM 0 HD3 ARG A 173 6.741 -4.846 -3.823 1.00 0.01 H new ATOM 0 HE ARG A 173 4.749 -6.695 -4.564 1.00 0.01 H new ATOM 0 HH11 ARG A 173 7.669 -6.691 -2.634 1.00 0.01 H new ATOM 0 HH12 ARG A 173 7.078 -7.922 -1.513 1.00 0.01 H new ATOM 0 HH21 ARG A 173 3.996 -8.270 -3.129 1.00 0.01 H new ATOM 0 HH22 ARG A 173 5.016 -8.807 -1.791 1.00 0.01 H new ATOM 2760 N ARG A 174 2.721 -5.505 -8.424 1.00 0.01 N ATOM 2761 CA ARG A 174 1.281 -5.746 -8.712 1.00 0.01 C ATOM 2762 C ARG A 174 0.693 -6.594 -7.582 1.00 0.01 C ATOM 2763 O ARG A 174 1.339 -7.481 -7.062 1.00 0.01 O ATOM 2764 CB ARG A 174 1.138 -6.504 -10.035 1.00 0.01 C ATOM 2765 CG ARG A 174 2.177 -7.625 -10.098 1.00 0.01 C ATOM 2766 CD ARG A 174 1.873 -8.534 -11.289 1.00 0.01 C ATOM 2767 NE ARG A 174 1.761 -7.709 -12.526 1.00 0.01 N ATOM 2768 CZ ARG A 174 1.811 -8.281 -13.698 1.00 0.01 C ATOM 2769 NH1 ARG A 174 1.965 -9.575 -13.787 1.00 0.01 N ATOM 2770 NH2 ARG A 174 1.706 -7.560 -14.781 1.00 0.01 N ATOM 0 H ARG A 174 3.361 -6.183 -8.839 1.00 0.01 H new ATOM 0 HA ARG A 174 0.755 -4.794 -8.785 1.00 0.01 H new ATOM 0 HB2 ARG A 174 0.134 -6.920 -10.121 1.00 0.01 H new ATOM 0 HB3 ARG A 174 1.273 -5.821 -10.874 1.00 0.01 H new ATOM 0 HG2 ARG A 174 3.177 -7.203 -10.195 1.00 0.01 H new ATOM 0 HG3 ARG A 174 2.162 -8.202 -9.173 1.00 0.01 H new ATOM 0 HD2 ARG A 174 2.662 -9.277 -11.404 1.00 0.01 H new ATOM 0 HD3 ARG A 174 0.945 -9.079 -11.117 1.00 0.01 H new ATOM 0 HE ARG A 174 1.645 -6.698 -12.456 1.00 0.01 H new ATOM 0 HH11 ARG A 174 2.046 -10.138 -12.941 1.00 0.01 H new ATOM 0 HH12 ARG A 174 2.004 -10.022 -14.703 1.00 0.01 H new ATOM 0 HH21 ARG A 174 1.585 -6.550 -14.711 1.00 0.01 H new ATOM 0 HH22 ARG A 174 1.745 -8.007 -15.697 1.00 0.01 H new ATOM 2784 N ILE A 175 -0.531 -6.338 -7.205 1.00 0.01 N ATOM 2785 CA ILE A 175 -1.163 -7.145 -6.111 1.00 0.01 C ATOM 2786 C ILE A 175 -1.993 -8.271 -6.730 1.00 0.00 C ATOM 2787 O ILE A 175 -2.813 -8.040 -7.595 1.00 0.01 O ATOM 2788 CB ILE A 175 -2.070 -6.254 -5.250 1.00 1.52 C ATOM 2789 CG1 ILE A 175 -1.390 -4.903 -5.034 1.00 2.51 C ATOM 2790 CG2 ILE A 175 -2.308 -6.918 -3.895 1.00 1.75 C ATOM 2791 CD1 ILE A 175 -2.258 -4.030 -4.121 1.00 3.04 C ATOM 0 H ILE A 175 -1.122 -5.608 -7.603 1.00 0.01 H new ATOM 0 HA ILE A 175 -0.380 -7.566 -5.480 1.00 0.01 H new ATOM 0 HB ILE A 175 -3.024 -6.112 -5.757 1.00 1.52 H new ATOM 0 HG12 ILE A 175 -0.406 -5.047 -4.588 1.00 2.51 H new ATOM 0 HG13 ILE A 175 -1.236 -4.405 -5.991 1.00 2.51 H new ATOM 0 HG21 ILE A 175 -2.952 -6.283 -3.287 1.00 1.75 H new ATOM 0 HG22 ILE A 175 -2.788 -7.885 -4.043 1.00 1.75 H new ATOM 0 HG23 ILE A 175 -1.354 -7.060 -3.387 1.00 1.75 H new ATOM 0 HD11 ILE A 175 -1.771 -3.067 -3.968 1.00 3.04 H new ATOM 0 HD12 ILE A 175 -3.232 -3.875 -4.585 1.00 3.04 H new ATOM 0 HD13 ILE A 175 -2.389 -4.527 -3.160 1.00 3.04 H new ATOM 2803 N VAL A 176 -1.785 -9.492 -6.300 1.00 0.01 N ATOM 2804 CA VAL A 176 -2.561 -10.639 -6.868 1.00 0.00 C ATOM 2805 C VAL A 176 -2.991 -11.579 -5.739 1.00 0.01 C ATOM 2806 O VAL A 176 -2.302 -11.735 -4.749 1.00 0.00 O ATOM 2807 CB VAL A 176 -1.679 -11.417 -7.845 1.00 1.38 C ATOM 2808 CG1 VAL A 176 -2.535 -12.421 -8.621 1.00 1.88 C ATOM 2809 CG2 VAL A 176 -1.023 -10.441 -8.826 1.00 1.89 C ATOM 0 H VAL A 176 -1.110 -9.744 -5.578 1.00 0.01 H new ATOM 0 HA VAL A 176 -3.440 -10.254 -7.384 1.00 0.00 H new ATOM 0 HB VAL A 176 -0.908 -11.951 -7.291 1.00 1.38 H new ATOM 0 HG11 VAL A 176 -1.905 -12.975 -9.317 1.00 1.88 H new ATOM 0 HG12 VAL A 176 -3.003 -13.116 -7.924 1.00 1.88 H new ATOM 0 HG13 VAL A 176 -3.307 -11.888 -9.176 1.00 1.88 H new ATOM 0 HG21 VAL A 176 -0.394 -10.994 -9.523 1.00 1.89 H new ATOM 0 HG22 VAL A 176 -1.796 -9.907 -9.379 1.00 1.89 H new ATOM 0 HG23 VAL A 176 -0.412 -9.726 -8.274 1.00 1.89 H new ATOM 2819 N GLU A 177 -4.124 -12.208 -5.885 1.00 0.01 N ATOM 2820 CA GLU A 177 -4.610 -13.147 -4.833 1.00 0.01 C ATOM 2821 C GLU A 177 -5.845 -13.892 -5.347 1.00 0.01 C ATOM 2822 O GLU A 177 -5.756 -15.006 -5.823 1.00 0.01 O ATOM 2823 CB GLU A 177 -4.972 -12.359 -3.567 1.00 2.15 C ATOM 2824 CG GLU A 177 -5.041 -13.311 -2.371 1.00 3.19 C ATOM 2825 CD GLU A 177 -5.460 -12.534 -1.120 1.00 4.20 C ATOM 2826 OE1 GLU A 177 -5.398 -11.316 -1.155 1.00 4.89 O ATOM 2827 OE2 GLU A 177 -5.838 -13.171 -0.150 1.00 4.77 O ATOM 0 H GLU A 177 -4.739 -12.112 -6.693 1.00 0.01 H new ATOM 0 HA GLU A 177 -3.825 -13.866 -4.597 1.00 0.01 H new ATOM 0 HB2 GLU A 177 -4.228 -11.583 -3.384 1.00 2.15 H new ATOM 0 HB3 GLU A 177 -5.930 -11.857 -3.701 1.00 2.15 H new ATOM 0 HG2 GLU A 177 -5.754 -14.111 -2.571 1.00 3.19 H new ATOM 0 HG3 GLU A 177 -4.071 -13.782 -2.211 1.00 3.19 H new