USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 893 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 109 TYR OH : rot 180:sc= -1.51 USER MOD Set 1.2: A 113 LYS NZ :NH3+ -116:sc= -1.36! (180deg=-2.89!) USER MOD Set 2.1: A 24 LYS NZ :NH3+ -164:sc= 0.253 (180deg=-0.491) USER MOD Set 2.2: A 57 TYR OH : rot 150:sc= 0.28 USER MOD Single : A 9 GLN : amide:sc= -1.37! K(o=-1.4!,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -160:sc= -0.715 (180deg=-1.34) USER MOD Single : A 12 GLN : amide:sc= -1.93 X(o=-1.9,f=-2.2!) USER MOD Single : A 15 GLN : amide:sc= -4.01 K(o=-4,f=-9.4!) USER MOD Single : A 17 TYR OH : rot -30:sc= -0.599 USER MOD Single : A 20 ASN : amide:sc= -2.9! C(o=-2.9!,f=-4.5!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 100:sc= 0.891 USER MOD Single : A 36 MET CE :methyl -167:sc= -2.52 (180deg=-2.94) USER MOD Single : A 37 GLN : amide:sc= -0.0175 K(o=-0.018,f=-3.2!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.00415 USER MOD Single : A 44 ASN : amide:sc= -0.332 K(o=-0.33,f=-6.3!) USER MOD Single : A 52 SER OG : rot 180:sc= -0.66! USER MOD Single : A 60 TYR OH : rot 180:sc= -0.0212 USER MOD Single : A 61 ASN : amide:sc= -4.36! C(o=-4.4!,f=-4.5!) USER MOD Single : A 74 ASN : amide:sc= -1.04 K(o=-1,f=-2.6!) USER MOD Single : A 75 LYS NZ :NH3+ 156:sc= -0.296 (180deg=-1.24!) USER MOD Single : A 76 LYS NZ :NH3+ -117:sc= -1.64 (180deg=-4.26!) USER MOD Single : A 79 GLN : amide:sc= -0.545 X(o=-0.54,f=-0.24) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -1.44! K(o=-1.4!,f=0) USER MOD Single : A 102 TYR OH : rot -60:sc= 0.212 USER MOD Single : A 103 MET CE :methyl -160:sc= -0.0386 (180deg=-0.819) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot 152:sc= -1.05 USER MOD Single : A 107 TYR OH : rot 30:sc= -0.595 USER MOD Single : A 111 CYS SG : rot -26:sc= -0.873 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -1.94! K(o=-1.9!,f=-0.32) USER MOD Single : A 117 SER OG : rot 0:sc= 1.2 USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 123 GLN : amide:sc= -0.287 X(o=-0.29,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 78 N GLU A 8 111.744 -14.006 14.839 1.00 0.00 N ATOM 79 CA GLU A 8 111.165 -14.364 13.515 1.00 0.00 C ATOM 80 C GLU A 8 111.781 -13.444 12.466 1.00 0.00 C ATOM 81 O GLU A 8 112.107 -13.852 11.373 1.00 0.00 O ATOM 82 CB GLU A 8 109.645 -14.189 13.542 1.00 0.00 C ATOM 83 CG GLU A 8 109.046 -14.793 12.270 1.00 0.00 C ATOM 84 CD GLU A 8 107.522 -14.681 12.318 1.00 0.00 C ATOM 85 OE1 GLU A 8 107.008 -14.291 13.354 1.00 0.00 O ATOM 86 OE2 GLU A 8 106.894 -14.987 11.318 1.00 0.00 O ATOM 0 HA GLU A 8 111.383 -15.405 13.277 1.00 0.00 H new ATOM 0 HB2 GLU A 8 109.226 -14.677 14.422 1.00 0.00 H new ATOM 0 HB3 GLU A 8 109.390 -13.132 13.612 1.00 0.00 H new ATOM 0 HG2 GLU A 8 109.431 -14.274 11.392 1.00 0.00 H new ATOM 0 HG3 GLU A 8 109.341 -15.838 12.178 1.00 0.00 H new ATOM 93 N GLN A 9 111.960 -12.201 12.800 1.00 0.00 N ATOM 94 CA GLN A 9 112.583 -11.255 11.839 1.00 0.00 C ATOM 95 C GLN A 9 114.040 -11.683 11.631 1.00 0.00 C ATOM 96 O GLN A 9 114.590 -11.605 10.549 1.00 0.00 O ATOM 97 CB GLN A 9 112.555 -9.847 12.440 1.00 0.00 C ATOM 98 CG GLN A 9 111.112 -9.344 12.499 1.00 0.00 C ATOM 99 CD GLN A 9 111.090 -7.937 13.100 1.00 0.00 C ATOM 100 OE1 GLN A 9 110.076 -7.269 13.076 1.00 0.00 O ATOM 101 NE2 GLN A 9 112.174 -7.457 13.646 1.00 0.00 N ATOM 0 H GLN A 9 111.701 -11.797 13.700 1.00 0.00 H new ATOM 0 HA GLN A 9 112.045 -11.259 10.891 1.00 0.00 H new ATOM 0 HB2 GLN A 9 112.988 -9.859 13.440 1.00 0.00 H new ATOM 0 HB3 GLN A 9 113.162 -9.171 11.838 1.00 0.00 H new ATOM 0 HG2 GLN A 9 110.678 -9.331 11.499 1.00 0.00 H new ATOM 0 HG3 GLN A 9 110.504 -10.019 13.102 1.00 0.00 H new ATOM 0 HE21 GLN A 9 113.026 -8.018 13.667 1.00 0.00 H new ATOM 0 HE22 GLN A 9 112.169 -6.521 14.052 1.00 0.00 H new ATOM 110 N PHE A 10 114.672 -12.110 12.688 1.00 0.00 N ATOM 111 CA PHE A 10 116.101 -12.526 12.609 1.00 0.00 C ATOM 112 C PHE A 10 116.270 -13.808 11.771 1.00 0.00 C ATOM 113 O PHE A 10 117.144 -13.888 10.934 1.00 0.00 O ATOM 114 CB PHE A 10 116.611 -12.761 14.035 1.00 0.00 C ATOM 115 CG PHE A 10 118.060 -13.176 14.005 1.00 0.00 C ATOM 116 CD1 PHE A 10 119.066 -12.204 14.056 1.00 0.00 C ATOM 117 CD2 PHE A 10 118.395 -14.533 13.939 1.00 0.00 C ATOM 118 CE1 PHE A 10 120.412 -12.591 14.036 1.00 0.00 C ATOM 119 CE2 PHE A 10 119.740 -14.920 13.918 1.00 0.00 C ATOM 120 CZ PHE A 10 120.749 -13.949 13.965 1.00 0.00 C ATOM 0 H PHE A 10 114.254 -12.190 13.615 1.00 0.00 H new ATOM 0 HA PHE A 10 116.676 -11.740 12.120 1.00 0.00 H new ATOM 0 HB2 PHE A 10 116.497 -11.851 14.625 1.00 0.00 H new ATOM 0 HB3 PHE A 10 116.014 -13.533 14.521 1.00 0.00 H new ATOM 0 HD1 PHE A 10 118.805 -11.157 14.111 1.00 0.00 H new ATOM 0 HD2 PHE A 10 117.617 -15.281 13.904 1.00 0.00 H new ATOM 0 HE1 PHE A 10 121.190 -11.843 14.075 1.00 0.00 H new ATOM 0 HE2 PHE A 10 120.000 -15.967 13.866 1.00 0.00 H new ATOM 0 HZ PHE A 10 121.787 -14.247 13.946 1.00 0.00 H new ATOM 130 N LYS A 11 115.477 -14.823 11.997 1.00 0.00 N ATOM 131 CA LYS A 11 115.657 -16.084 11.206 1.00 0.00 C ATOM 132 C LYS A 11 115.426 -15.843 9.708 1.00 0.00 C ATOM 133 O LYS A 11 116.137 -16.381 8.877 1.00 0.00 O ATOM 134 CB LYS A 11 114.708 -17.180 11.730 1.00 0.00 C ATOM 135 CG LYS A 11 113.287 -16.980 11.183 1.00 0.00 C ATOM 136 CD LYS A 11 112.314 -17.917 11.905 1.00 0.00 C ATOM 137 CE LYS A 11 112.728 -19.378 11.689 1.00 0.00 C ATOM 138 NZ LYS A 11 113.173 -19.574 10.280 1.00 0.00 N ATOM 0 H LYS A 11 114.723 -14.838 12.683 1.00 0.00 H new ATOM 0 HA LYS A 11 116.687 -16.418 11.332 1.00 0.00 H new ATOM 0 HB2 LYS A 11 115.081 -18.161 11.436 1.00 0.00 H new ATOM 0 HB3 LYS A 11 114.689 -17.160 12.820 1.00 0.00 H new ATOM 0 HG2 LYS A 11 112.977 -15.944 11.321 1.00 0.00 H new ATOM 0 HG3 LYS A 11 113.269 -17.178 10.111 1.00 0.00 H new ATOM 0 HD2 LYS A 11 112.301 -17.689 12.971 1.00 0.00 H new ATOM 0 HD3 LYS A 11 111.302 -17.759 11.533 1.00 0.00 H new ATOM 0 HE2 LYS A 11 113.533 -19.642 12.374 1.00 0.00 H new ATOM 0 HE3 LYS A 11 111.891 -20.039 11.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 113.127 -20.585 10.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 112.551 -19.037 9.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 114.151 -19.237 10.175 1.00 0.00 H new ATOM 152 N GLN A 12 114.450 -15.057 9.337 1.00 0.00 N ATOM 153 CA GLN A 12 114.230 -14.840 7.882 1.00 0.00 C ATOM 154 C GLN A 12 115.440 -14.097 7.305 1.00 0.00 C ATOM 155 O GLN A 12 115.727 -14.171 6.132 1.00 0.00 O ATOM 156 CB GLN A 12 112.932 -14.067 7.622 1.00 0.00 C ATOM 157 CG GLN A 12 112.920 -12.760 8.408 1.00 0.00 C ATOM 158 CD GLN A 12 111.551 -12.096 8.248 1.00 0.00 C ATOM 159 OE1 GLN A 12 110.593 -12.742 7.870 1.00 0.00 O ATOM 160 NE2 GLN A 12 111.415 -10.830 8.523 1.00 0.00 N ATOM 0 H GLN A 12 113.811 -14.567 9.963 1.00 0.00 H new ATOM 0 HA GLN A 12 114.126 -15.806 7.387 1.00 0.00 H new ATOM 0 HB2 GLN A 12 112.834 -13.858 6.557 1.00 0.00 H new ATOM 0 HB3 GLN A 12 112.075 -14.677 7.907 1.00 0.00 H new ATOM 0 HG2 GLN A 12 113.125 -12.952 9.461 1.00 0.00 H new ATOM 0 HG3 GLN A 12 113.705 -12.096 8.047 1.00 0.00 H new ATOM 0 HE21 GLN A 12 112.219 -10.288 8.840 1.00 0.00 H new ATOM 0 HE22 GLN A 12 110.505 -10.381 8.421 1.00 0.00 H new ATOM 169 N VAL A 13 116.174 -13.398 8.122 1.00 0.00 N ATOM 170 CA VAL A 13 117.380 -12.697 7.597 1.00 0.00 C ATOM 171 C VAL A 13 118.433 -13.747 7.229 1.00 0.00 C ATOM 172 O VAL A 13 119.122 -13.623 6.239 1.00 0.00 O ATOM 173 CB VAL A 13 117.937 -11.726 8.650 1.00 0.00 C ATOM 174 CG1 VAL A 13 119.306 -11.200 8.203 1.00 0.00 C ATOM 175 CG2 VAL A 13 116.972 -10.545 8.825 1.00 0.00 C ATOM 0 H VAL A 13 115.996 -13.281 9.119 1.00 0.00 H new ATOM 0 HA VAL A 13 117.113 -12.117 6.714 1.00 0.00 H new ATOM 0 HB VAL A 13 118.045 -12.254 9.598 1.00 0.00 H new ATOM 0 HG11 VAL A 13 119.695 -10.512 8.954 1.00 0.00 H new ATOM 0 HG12 VAL A 13 119.996 -12.036 8.084 1.00 0.00 H new ATOM 0 HG13 VAL A 13 119.202 -10.678 7.252 1.00 0.00 H new ATOM 0 HG21 VAL A 13 117.369 -9.858 9.572 1.00 0.00 H new ATOM 0 HG22 VAL A 13 116.860 -10.023 7.875 1.00 0.00 H new ATOM 0 HG23 VAL A 13 116.000 -10.915 9.152 1.00 0.00 H new ATOM 185 N ARG A 14 118.575 -14.779 8.018 1.00 0.00 N ATOM 186 CA ARG A 14 119.597 -15.814 7.687 1.00 0.00 C ATOM 187 C ARG A 14 119.333 -16.384 6.293 1.00 0.00 C ATOM 188 O ARG A 14 120.244 -16.532 5.502 1.00 0.00 O ATOM 189 CB ARG A 14 119.546 -16.938 8.725 1.00 0.00 C ATOM 190 CG ARG A 14 120.595 -17.996 8.380 1.00 0.00 C ATOM 191 CD ARG A 14 120.723 -18.989 9.537 1.00 0.00 C ATOM 192 NE ARG A 14 119.413 -19.663 9.761 1.00 0.00 N ATOM 193 CZ ARG A 14 119.326 -20.647 10.611 1.00 0.00 C ATOM 194 NH1 ARG A 14 120.109 -21.684 10.490 1.00 0.00 N ATOM 195 NH2 ARG A 14 118.458 -20.593 11.584 1.00 0.00 N ATOM 0 H ARG A 14 118.035 -14.949 8.867 1.00 0.00 H new ATOM 0 HA ARG A 14 120.586 -15.355 7.700 1.00 0.00 H new ATOM 0 HB2 ARG A 14 119.732 -16.537 9.721 1.00 0.00 H new ATOM 0 HB3 ARG A 14 118.553 -17.387 8.743 1.00 0.00 H new ATOM 0 HG2 ARG A 14 120.311 -18.520 7.467 1.00 0.00 H new ATOM 0 HG3 ARG A 14 121.557 -17.520 8.188 1.00 0.00 H new ATOM 0 HD2 ARG A 14 121.491 -19.729 9.312 1.00 0.00 H new ATOM 0 HD3 ARG A 14 121.036 -18.470 10.443 1.00 0.00 H new ATOM 0 HE ARG A 14 118.586 -19.355 9.250 1.00 0.00 H new ATOM 0 HH11 ARG A 14 120.789 -21.724 9.730 1.00 0.00 H new ATOM 0 HH12 ARG A 14 120.041 -22.454 11.155 1.00 0.00 H new ATOM 0 HH21 ARG A 14 117.848 -19.781 11.679 1.00 0.00 H new ATOM 0 HH22 ARG A 14 118.389 -21.363 12.250 1.00 0.00 H new ATOM 209 N GLN A 15 118.111 -16.707 5.968 1.00 0.00 N ATOM 210 CA GLN A 15 117.858 -17.259 4.607 1.00 0.00 C ATOM 211 C GLN A 15 118.284 -16.238 3.540 1.00 0.00 C ATOM 212 O GLN A 15 118.679 -16.618 2.456 1.00 0.00 O ATOM 213 CB GLN A 15 116.391 -17.670 4.434 1.00 0.00 C ATOM 214 CG GLN A 15 115.489 -16.564 4.930 1.00 0.00 C ATOM 215 CD GLN A 15 114.025 -16.989 4.784 1.00 0.00 C ATOM 216 OE1 GLN A 15 113.144 -16.388 5.364 1.00 0.00 O ATOM 217 NE2 GLN A 15 113.728 -18.010 4.026 1.00 0.00 N ATOM 0 H GLN A 15 117.293 -16.616 6.571 1.00 0.00 H new ATOM 0 HA GLN A 15 118.458 -18.161 4.482 1.00 0.00 H new ATOM 0 HB2 GLN A 15 116.183 -17.878 3.384 1.00 0.00 H new ATOM 0 HB3 GLN A 15 116.193 -18.589 4.986 1.00 0.00 H new ATOM 0 HG2 GLN A 15 115.711 -16.341 5.974 1.00 0.00 H new ATOM 0 HG3 GLN A 15 115.671 -15.651 4.363 1.00 0.00 H new ATOM 0 HE21 GLN A 15 114.468 -18.515 3.538 1.00 0.00 H new ATOM 0 HE22 GLN A 15 112.756 -18.302 3.922 1.00 0.00 H new ATOM 226 N LEU A 16 118.249 -14.945 3.817 1.00 0.00 N ATOM 227 CA LEU A 16 118.713 -13.990 2.756 1.00 0.00 C ATOM 228 C LEU A 16 120.195 -14.284 2.469 1.00 0.00 C ATOM 229 O LEU A 16 120.613 -14.350 1.331 1.00 0.00 O ATOM 230 CB LEU A 16 118.547 -12.519 3.211 1.00 0.00 C ATOM 231 CG LEU A 16 117.188 -11.957 2.768 1.00 0.00 C ATOM 232 CD1 LEU A 16 116.067 -12.634 3.542 1.00 0.00 C ATOM 233 CD2 LEU A 16 117.150 -10.454 3.050 1.00 0.00 C ATOM 0 H LEU A 16 117.933 -14.528 4.693 1.00 0.00 H new ATOM 0 HA LEU A 16 118.109 -14.125 1.858 1.00 0.00 H new ATOM 0 HB2 LEU A 16 118.634 -12.458 4.296 1.00 0.00 H new ATOM 0 HB3 LEU A 16 119.350 -11.912 2.792 1.00 0.00 H new ATOM 0 HG LEU A 16 117.054 -12.143 1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 16 115.107 -12.229 3.221 1.00 0.00 H new ATOM 0 HD12 LEU A 16 116.090 -13.707 3.352 1.00 0.00 H new ATOM 0 HD13 LEU A 16 116.199 -12.452 4.608 1.00 0.00 H new ATOM 0 HD21 LEU A 16 116.187 -10.049 2.737 1.00 0.00 H new ATOM 0 HD22 LEU A 16 117.287 -10.280 4.117 1.00 0.00 H new ATOM 0 HD23 LEU A 16 117.948 -9.960 2.496 1.00 0.00 H new ATOM 245 N TYR A 17 120.983 -14.486 3.490 1.00 0.00 N ATOM 246 CA TYR A 17 122.424 -14.806 3.265 1.00 0.00 C ATOM 247 C TYR A 17 122.530 -16.115 2.473 1.00 0.00 C ATOM 248 O TYR A 17 123.378 -16.270 1.616 1.00 0.00 O ATOM 249 CB TYR A 17 123.138 -14.982 4.617 1.00 0.00 C ATOM 250 CG TYR A 17 123.562 -13.644 5.174 1.00 0.00 C ATOM 251 CD1 TYR A 17 124.818 -13.124 4.841 1.00 0.00 C ATOM 252 CD2 TYR A 17 122.718 -12.937 6.039 1.00 0.00 C ATOM 253 CE1 TYR A 17 125.230 -11.896 5.367 1.00 0.00 C ATOM 254 CE2 TYR A 17 123.133 -11.710 6.569 1.00 0.00 C ATOM 255 CZ TYR A 17 124.390 -11.190 6.233 1.00 0.00 C ATOM 256 OH TYR A 17 124.805 -9.986 6.759 1.00 0.00 O ATOM 0 H TYR A 17 120.694 -14.444 4.467 1.00 0.00 H new ATOM 0 HA TYR A 17 122.891 -13.992 2.711 1.00 0.00 H new ATOM 0 HB2 TYR A 17 122.474 -15.481 5.322 1.00 0.00 H new ATOM 0 HB3 TYR A 17 124.011 -15.623 4.492 1.00 0.00 H new ATOM 0 HD1 TYR A 17 125.470 -13.672 4.177 1.00 0.00 H new ATOM 0 HD2 TYR A 17 121.749 -13.338 6.297 1.00 0.00 H new ATOM 0 HE1 TYR A 17 126.197 -11.493 5.104 1.00 0.00 H new ATOM 0 HE2 TYR A 17 122.484 -11.164 7.237 1.00 0.00 H new ATOM 0 HH TYR A 17 125.781 -9.987 6.849 1.00 0.00 H new ATOM 266 N GLU A 18 121.698 -17.070 2.788 1.00 0.00 N ATOM 267 CA GLU A 18 121.769 -18.392 2.090 1.00 0.00 C ATOM 268 C GLU A 18 121.313 -18.287 0.627 1.00 0.00 C ATOM 269 O GLU A 18 121.314 -19.269 -0.090 1.00 0.00 O ATOM 270 CB GLU A 18 120.879 -19.402 2.819 1.00 0.00 C ATOM 271 CG GLU A 18 121.378 -19.597 4.254 1.00 0.00 C ATOM 272 CD GLU A 18 122.782 -20.207 4.237 1.00 0.00 C ATOM 273 OE1 GLU A 18 122.926 -21.296 3.705 1.00 0.00 O ATOM 274 OE2 GLU A 18 123.688 -19.575 4.755 1.00 0.00 O ATOM 0 H GLU A 18 120.970 -16.995 3.499 1.00 0.00 H new ATOM 0 HA GLU A 18 122.808 -18.720 2.101 1.00 0.00 H new ATOM 0 HB2 GLU A 18 119.847 -19.050 2.828 1.00 0.00 H new ATOM 0 HB3 GLU A 18 120.886 -20.355 2.290 1.00 0.00 H new ATOM 0 HG2 GLU A 18 121.394 -18.640 4.776 1.00 0.00 H new ATOM 0 HG3 GLU A 18 120.696 -20.248 4.801 1.00 0.00 H new ATOM 281 N ILE A 19 120.932 -17.129 0.163 1.00 0.00 N ATOM 282 CA ILE A 19 120.496 -17.025 -1.263 1.00 0.00 C ATOM 283 C ILE A 19 121.615 -17.555 -2.164 1.00 0.00 C ATOM 284 O ILE A 19 121.366 -18.244 -3.132 1.00 0.00 O ATOM 285 CB ILE A 19 120.183 -15.563 -1.610 1.00 0.00 C ATOM 286 CG1 ILE A 19 118.904 -15.136 -0.882 1.00 0.00 C ATOM 287 CG2 ILE A 19 119.976 -15.415 -3.121 1.00 0.00 C ATOM 288 CD1 ILE A 19 118.777 -13.611 -0.911 1.00 0.00 C ATOM 0 H ILE A 19 120.903 -16.261 0.698 1.00 0.00 H new ATOM 0 HA ILE A 19 119.594 -17.617 -1.417 1.00 0.00 H new ATOM 0 HB ILE A 19 121.017 -14.934 -1.300 1.00 0.00 H new ATOM 0 HG12 ILE A 19 118.035 -15.592 -1.356 1.00 0.00 H new ATOM 0 HG13 ILE A 19 118.926 -15.489 0.149 1.00 0.00 H new ATOM 0 HG21 ILE A 19 119.754 -14.374 -3.358 1.00 0.00 H new ATOM 0 HG22 ILE A 19 120.882 -15.721 -3.644 1.00 0.00 H new ATOM 0 HG23 ILE A 19 119.144 -16.044 -3.438 1.00 0.00 H new ATOM 0 HD11 ILE A 19 117.866 -13.312 -0.392 1.00 0.00 H new ATOM 0 HD12 ILE A 19 119.640 -13.165 -0.416 1.00 0.00 H new ATOM 0 HD13 ILE A 19 118.735 -13.269 -1.945 1.00 0.00 H new ATOM 300 N ASN A 20 122.842 -17.252 -1.844 1.00 0.00 N ATOM 301 CA ASN A 20 123.983 -17.744 -2.668 1.00 0.00 C ATOM 302 C ASN A 20 125.282 -17.504 -1.897 1.00 0.00 C ATOM 303 O ASN A 20 125.304 -16.807 -0.902 1.00 0.00 O ATOM 304 CB ASN A 20 124.033 -16.979 -4.003 1.00 0.00 C ATOM 305 CG ASN A 20 123.045 -17.593 -4.999 1.00 0.00 C ATOM 306 OD1 ASN A 20 122.073 -16.967 -5.373 1.00 0.00 O ATOM 307 ND2 ASN A 20 123.254 -18.800 -5.449 1.00 0.00 N ATOM 0 H ASN A 20 123.106 -16.681 -1.041 1.00 0.00 H new ATOM 0 HA ASN A 20 123.857 -18.807 -2.873 1.00 0.00 H new ATOM 0 HB2 ASN A 20 123.790 -15.929 -3.839 1.00 0.00 H new ATOM 0 HB3 ASN A 20 125.043 -17.013 -4.413 1.00 0.00 H new ATOM 0 HD21 ASN A 20 122.602 -19.217 -6.114 1.00 0.00 H new ATOM 0 HD22 ASN A 20 124.069 -19.327 -5.136 1.00 0.00 H new ATOM 314 N ASP A 21 126.368 -18.073 -2.345 1.00 0.00 N ATOM 315 CA ASP A 21 127.664 -17.872 -1.636 1.00 0.00 C ATOM 316 C ASP A 21 128.356 -16.646 -2.226 1.00 0.00 C ATOM 317 O ASP A 21 129.533 -16.426 -2.026 1.00 0.00 O ATOM 318 CB ASP A 21 128.553 -19.111 -1.812 1.00 0.00 C ATOM 319 CG ASP A 21 129.021 -19.221 -3.266 1.00 0.00 C ATOM 320 OD1 ASP A 21 128.402 -18.604 -4.117 1.00 0.00 O ATOM 321 OD2 ASP A 21 129.995 -19.917 -3.503 1.00 0.00 O ATOM 0 H ASP A 21 126.414 -18.669 -3.172 1.00 0.00 H new ATOM 0 HA ASP A 21 127.486 -17.721 -0.571 1.00 0.00 H new ATOM 0 HB2 ASP A 21 129.415 -19.047 -1.148 1.00 0.00 H new ATOM 0 HB3 ASP A 21 128.000 -20.008 -1.531 1.00 0.00 H new ATOM 326 N ASP A 22 127.624 -15.842 -2.951 1.00 0.00 N ATOM 327 CA ASP A 22 128.227 -14.626 -3.558 1.00 0.00 C ATOM 328 C ASP A 22 128.983 -13.849 -2.459 1.00 0.00 C ATOM 329 O ASP A 22 128.358 -13.317 -1.563 1.00 0.00 O ATOM 330 CB ASP A 22 127.105 -13.743 -4.110 1.00 0.00 C ATOM 331 CG ASP A 22 127.691 -12.421 -4.610 1.00 0.00 C ATOM 332 OD1 ASP A 22 128.283 -11.720 -3.808 1.00 0.00 O ATOM 333 OD2 ASP A 22 127.534 -12.132 -5.784 1.00 0.00 O ATOM 0 H ASP A 22 126.632 -15.978 -3.148 1.00 0.00 H new ATOM 0 HA ASP A 22 128.912 -14.903 -4.360 1.00 0.00 H new ATOM 0 HB2 ASP A 22 126.592 -14.256 -4.924 1.00 0.00 H new ATOM 0 HB3 ASP A 22 126.363 -13.553 -3.334 1.00 0.00 H new ATOM 338 N PRO A 23 130.304 -13.771 -2.492 1.00 0.00 N ATOM 339 CA PRO A 23 131.028 -13.028 -1.424 1.00 0.00 C ATOM 340 C PRO A 23 130.630 -11.544 -1.387 1.00 0.00 C ATOM 341 O PRO A 23 130.582 -10.933 -0.339 1.00 0.00 O ATOM 342 CB PRO A 23 132.512 -13.217 -1.809 1.00 0.00 C ATOM 343 CG PRO A 23 132.585 -14.074 -3.090 1.00 0.00 C ATOM 344 CD PRO A 23 131.152 -14.391 -3.555 1.00 0.00 C ATOM 0 HA PRO A 23 130.799 -13.394 -0.423 1.00 0.00 H new ATOM 0 HB2 PRO A 23 132.986 -12.249 -1.974 1.00 0.00 H new ATOM 0 HB3 PRO A 23 133.054 -13.703 -0.998 1.00 0.00 H new ATOM 0 HG2 PRO A 23 133.126 -13.540 -3.871 1.00 0.00 H new ATOM 0 HG3 PRO A 23 133.132 -14.997 -2.897 1.00 0.00 H new ATOM 0 HD2 PRO A 23 130.943 -13.965 -4.536 1.00 0.00 H new ATOM 0 HD3 PRO A 23 130.981 -15.465 -3.631 1.00 0.00 H new ATOM 352 N LYS A 24 130.353 -10.964 -2.522 1.00 0.00 N ATOM 353 CA LYS A 24 129.966 -9.527 -2.542 1.00 0.00 C ATOM 354 C LYS A 24 128.672 -9.324 -1.741 1.00 0.00 C ATOM 355 O LYS A 24 128.580 -8.438 -0.917 1.00 0.00 O ATOM 356 CB LYS A 24 129.762 -9.073 -3.990 1.00 0.00 C ATOM 357 CG LYS A 24 129.612 -7.552 -4.032 1.00 0.00 C ATOM 358 CD LYS A 24 129.408 -7.098 -5.478 1.00 0.00 C ATOM 359 CE LYS A 24 129.376 -5.570 -5.531 1.00 0.00 C ATOM 360 NZ LYS A 24 128.235 -5.070 -4.713 1.00 0.00 N ATOM 0 H LYS A 24 130.378 -11.422 -3.433 1.00 0.00 H new ATOM 0 HA LYS A 24 130.759 -8.933 -2.087 1.00 0.00 H new ATOM 0 HB2 LYS A 24 130.609 -9.382 -4.602 1.00 0.00 H new ATOM 0 HB3 LYS A 24 128.875 -9.548 -4.410 1.00 0.00 H new ATOM 0 HG2 LYS A 24 128.765 -7.243 -3.420 1.00 0.00 H new ATOM 0 HG3 LYS A 24 130.499 -7.077 -3.612 1.00 0.00 H new ATOM 0 HD2 LYS A 24 130.213 -7.478 -6.107 1.00 0.00 H new ATOM 0 HD3 LYS A 24 128.477 -7.506 -5.871 1.00 0.00 H new ATOM 0 HE2 LYS A 24 130.314 -5.162 -5.154 1.00 0.00 H new ATOM 0 HE3 LYS A 24 129.274 -5.233 -6.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 128.042 -4.078 -4.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 127.390 -5.645 -4.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 128.475 -5.138 -3.703 1.00 0.00 H new ATOM 374 N ARG A 25 127.673 -10.138 -1.975 1.00 0.00 N ATOM 375 CA ARG A 25 126.392 -9.979 -1.219 1.00 0.00 C ATOM 376 C ARG A 25 126.644 -10.196 0.273 1.00 0.00 C ATOM 377 O ARG A 25 126.173 -9.444 1.103 1.00 0.00 O ATOM 378 CB ARG A 25 125.361 -10.994 -1.724 1.00 0.00 C ATOM 379 CG ARG A 25 124.046 -10.832 -0.948 1.00 0.00 C ATOM 380 CD ARG A 25 123.015 -11.829 -1.480 1.00 0.00 C ATOM 381 NE ARG A 25 122.749 -11.547 -2.919 1.00 0.00 N ATOM 382 CZ ARG A 25 122.233 -12.472 -3.682 1.00 0.00 C ATOM 383 NH1 ARG A 25 122.803 -13.643 -3.762 1.00 0.00 N ATOM 384 NH2 ARG A 25 121.150 -12.225 -4.366 1.00 0.00 N ATOM 0 H ARG A 25 127.688 -10.901 -2.652 1.00 0.00 H new ATOM 0 HA ARG A 25 126.007 -8.971 -1.375 1.00 0.00 H new ATOM 0 HB2 ARG A 25 125.185 -10.847 -2.790 1.00 0.00 H new ATOM 0 HB3 ARG A 25 125.744 -12.007 -1.600 1.00 0.00 H new ATOM 0 HG2 ARG A 25 124.216 -11.000 0.115 1.00 0.00 H new ATOM 0 HG3 ARG A 25 123.672 -9.814 -1.054 1.00 0.00 H new ATOM 0 HD2 ARG A 25 123.383 -12.848 -1.360 1.00 0.00 H new ATOM 0 HD3 ARG A 25 122.091 -11.754 -0.907 1.00 0.00 H new ATOM 0 HE ARG A 25 122.970 -10.630 -3.308 1.00 0.00 H new ATOM 0 HH11 ARG A 25 123.651 -13.835 -3.229 1.00 0.00 H new ATOM 0 HH12 ARG A 25 122.401 -14.366 -4.358 1.00 0.00 H new ATOM 0 HH21 ARG A 25 120.706 -11.309 -4.305 1.00 0.00 H new ATOM 0 HH22 ARG A 25 120.747 -12.948 -4.962 1.00 0.00 H new ATOM 398 N LYS A 26 127.381 -11.212 0.625 1.00 0.00 N ATOM 399 CA LYS A 26 127.651 -11.453 2.069 1.00 0.00 C ATOM 400 C LYS A 26 128.367 -10.227 2.628 1.00 0.00 C ATOM 401 O LYS A 26 128.079 -9.760 3.711 1.00 0.00 O ATOM 402 CB LYS A 26 128.541 -12.694 2.224 1.00 0.00 C ATOM 403 CG LYS A 26 128.726 -13.021 3.710 1.00 0.00 C ATOM 404 CD LYS A 26 129.723 -14.177 3.875 1.00 0.00 C ATOM 405 CE LYS A 26 129.195 -15.439 3.181 1.00 0.00 C ATOM 406 NZ LYS A 26 129.867 -16.639 3.756 1.00 0.00 N ATOM 0 H LYS A 26 127.805 -11.881 -0.018 1.00 0.00 H new ATOM 0 HA LYS A 26 126.719 -11.622 2.609 1.00 0.00 H new ATOM 0 HB2 LYS A 26 128.090 -13.542 1.709 1.00 0.00 H new ATOM 0 HB3 LYS A 26 129.510 -12.517 1.758 1.00 0.00 H new ATOM 0 HG2 LYS A 26 129.087 -12.141 4.242 1.00 0.00 H new ATOM 0 HG3 LYS A 26 127.767 -13.291 4.153 1.00 0.00 H new ATOM 0 HD2 LYS A 26 130.688 -13.897 3.451 1.00 0.00 H new ATOM 0 HD3 LYS A 26 129.886 -14.377 4.934 1.00 0.00 H new ATOM 0 HE2 LYS A 26 128.116 -15.515 3.313 1.00 0.00 H new ATOM 0 HE3 LYS A 26 129.382 -15.383 2.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 129.510 -17.495 3.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 130.894 -16.566 3.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 129.667 -16.694 4.775 1.00 0.00 H new ATOM 420 N GLU A 27 129.294 -9.695 1.880 1.00 0.00 N ATOM 421 CA GLU A 27 130.031 -8.488 2.342 1.00 0.00 C ATOM 422 C GLU A 27 129.051 -7.321 2.515 1.00 0.00 C ATOM 423 O GLU A 27 129.058 -6.640 3.521 1.00 0.00 O ATOM 424 CB GLU A 27 131.098 -8.123 1.303 1.00 0.00 C ATOM 425 CG GLU A 27 131.884 -6.893 1.767 1.00 0.00 C ATOM 426 CD GLU A 27 132.949 -6.547 0.724 1.00 0.00 C ATOM 427 OE1 GLU A 27 133.155 -7.347 -0.173 1.00 0.00 O ATOM 428 OE2 GLU A 27 133.542 -5.487 0.842 1.00 0.00 O ATOM 0 H GLU A 27 129.573 -10.047 0.964 1.00 0.00 H new ATOM 0 HA GLU A 27 130.510 -8.693 3.299 1.00 0.00 H new ATOM 0 HB2 GLU A 27 131.776 -8.964 1.156 1.00 0.00 H new ATOM 0 HB3 GLU A 27 130.626 -7.922 0.341 1.00 0.00 H new ATOM 0 HG2 GLU A 27 131.209 -6.049 1.908 1.00 0.00 H new ATOM 0 HG3 GLU A 27 132.354 -7.090 2.731 1.00 0.00 H new ATOM 435 N PHE A 28 128.216 -7.075 1.537 1.00 0.00 N ATOM 436 CA PHE A 28 127.254 -5.940 1.649 1.00 0.00 C ATOM 437 C PHE A 28 126.330 -6.126 2.857 1.00 0.00 C ATOM 438 O PHE A 28 126.151 -5.224 3.651 1.00 0.00 O ATOM 439 CB PHE A 28 126.403 -5.868 0.375 1.00 0.00 C ATOM 440 CG PHE A 28 125.272 -4.887 0.584 1.00 0.00 C ATOM 441 CD1 PHE A 28 124.108 -5.310 1.236 1.00 0.00 C ATOM 442 CD2 PHE A 28 125.393 -3.560 0.156 1.00 0.00 C ATOM 443 CE1 PHE A 28 123.063 -4.411 1.459 1.00 0.00 C ATOM 444 CE2 PHE A 28 124.346 -2.658 0.383 1.00 0.00 C ATOM 445 CZ PHE A 28 123.181 -3.085 1.034 1.00 0.00 C ATOM 0 H PHE A 28 128.160 -7.609 0.670 1.00 0.00 H new ATOM 0 HA PHE A 28 127.821 -5.018 1.779 1.00 0.00 H new ATOM 0 HB2 PHE A 28 127.018 -5.557 -0.470 1.00 0.00 H new ATOM 0 HB3 PHE A 28 126.005 -6.854 0.134 1.00 0.00 H new ATOM 0 HD1 PHE A 28 124.018 -6.334 1.567 1.00 0.00 H new ATOM 0 HD2 PHE A 28 126.291 -3.233 -0.348 1.00 0.00 H new ATOM 0 HE1 PHE A 28 122.164 -4.740 1.959 1.00 0.00 H new ATOM 0 HE2 PHE A 28 124.437 -1.633 0.056 1.00 0.00 H new ATOM 0 HZ PHE A 28 122.374 -2.389 1.207 1.00 0.00 H new ATOM 455 N LEU A 29 125.720 -7.271 2.997 1.00 0.00 N ATOM 456 CA LEU A 29 124.798 -7.465 4.148 1.00 0.00 C ATOM 457 C LEU A 29 125.583 -7.278 5.442 1.00 0.00 C ATOM 458 O LEU A 29 125.144 -6.613 6.359 1.00 0.00 O ATOM 459 CB LEU A 29 124.202 -8.878 4.109 1.00 0.00 C ATOM 460 CG LEU A 29 123.338 -9.064 2.850 1.00 0.00 C ATOM 461 CD1 LEU A 29 123.092 -10.557 2.623 1.00 0.00 C ATOM 462 CD2 LEU A 29 121.980 -8.363 3.017 1.00 0.00 C ATOM 0 H LEU A 29 125.819 -8.071 2.372 1.00 0.00 H new ATOM 0 HA LEU A 29 123.987 -6.739 4.094 1.00 0.00 H new ATOM 0 HB2 LEU A 29 125.003 -9.617 4.120 1.00 0.00 H new ATOM 0 HB3 LEU A 29 123.598 -9.049 5.000 1.00 0.00 H new ATOM 0 HG LEU A 29 123.864 -8.629 2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 29 122.480 -10.693 1.731 1.00 0.00 H new ATOM 0 HD12 LEU A 29 124.046 -11.067 2.490 1.00 0.00 H new ATOM 0 HD13 LEU A 29 122.574 -10.976 3.486 1.00 0.00 H new ATOM 0 HD21 LEU A 29 121.383 -8.506 2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 29 121.454 -8.788 3.872 1.00 0.00 H new ATOM 0 HD23 LEU A 29 122.139 -7.297 3.182 1.00 0.00 H new ATOM 474 N ASP A 30 126.749 -7.849 5.519 1.00 0.00 N ATOM 475 CA ASP A 30 127.560 -7.700 6.754 1.00 0.00 C ATOM 476 C ASP A 30 127.852 -6.215 6.993 1.00 0.00 C ATOM 477 O ASP A 30 127.805 -5.740 8.109 1.00 0.00 O ATOM 478 CB ASP A 30 128.877 -8.463 6.586 1.00 0.00 C ATOM 479 CG ASP A 30 129.645 -8.456 7.908 1.00 0.00 C ATOM 480 OD1 ASP A 30 129.272 -7.694 8.785 1.00 0.00 O ATOM 481 OD2 ASP A 30 130.591 -9.219 8.023 1.00 0.00 O ATOM 0 H ASP A 30 127.175 -8.411 4.782 1.00 0.00 H new ATOM 0 HA ASP A 30 127.012 -8.102 7.606 1.00 0.00 H new ATOM 0 HB2 ASP A 30 128.678 -9.488 6.275 1.00 0.00 H new ATOM 0 HB3 ASP A 30 129.478 -8.003 5.802 1.00 0.00 H new ATOM 486 N ASP A 31 128.157 -5.480 5.957 1.00 0.00 N ATOM 487 CA ASP A 31 128.457 -4.030 6.138 1.00 0.00 C ATOM 488 C ASP A 31 127.172 -3.256 6.461 1.00 0.00 C ATOM 489 O ASP A 31 127.126 -2.496 7.408 1.00 0.00 O ATOM 490 CB ASP A 31 129.078 -3.474 4.856 1.00 0.00 C ATOM 491 CG ASP A 31 130.487 -4.046 4.683 1.00 0.00 C ATOM 492 OD1 ASP A 31 131.044 -4.502 5.667 1.00 0.00 O ATOM 493 OD2 ASP A 31 130.982 -4.020 3.569 1.00 0.00 O ATOM 0 H ASP A 31 128.211 -5.819 4.997 1.00 0.00 H new ATOM 0 HA ASP A 31 129.156 -3.915 6.966 1.00 0.00 H new ATOM 0 HB2 ASP A 31 128.460 -3.735 3.997 1.00 0.00 H new ATOM 0 HB3 ASP A 31 129.119 -2.386 4.901 1.00 0.00 H new ATOM 498 N LEU A 32 126.129 -3.436 5.694 1.00 0.00 N ATOM 499 CA LEU A 32 124.868 -2.693 5.990 1.00 0.00 C ATOM 500 C LEU A 32 124.370 -3.054 7.387 1.00 0.00 C ATOM 501 O LEU A 32 124.071 -2.189 8.183 1.00 0.00 O ATOM 502 CB LEU A 32 123.794 -3.008 4.932 1.00 0.00 C ATOM 503 CG LEU A 32 122.414 -2.485 5.379 1.00 0.00 C ATOM 504 CD1 LEU A 32 122.475 -0.990 5.709 1.00 0.00 C ATOM 505 CD2 LEU A 32 121.414 -2.695 4.246 1.00 0.00 C ATOM 0 H LEU A 32 126.094 -4.057 4.885 1.00 0.00 H new ATOM 0 HA LEU A 32 125.072 -1.623 5.956 1.00 0.00 H new ATOM 0 HB2 LEU A 32 124.070 -2.553 3.981 1.00 0.00 H new ATOM 0 HB3 LEU A 32 123.744 -4.084 4.767 1.00 0.00 H new ATOM 0 HG LEU A 32 122.109 -3.030 6.272 1.00 0.00 H new ATOM 0 HD11 LEU A 32 121.489 -0.646 6.022 1.00 0.00 H new ATOM 0 HD12 LEU A 32 123.190 -0.824 6.515 1.00 0.00 H new ATOM 0 HD13 LEU A 32 122.790 -0.435 4.825 1.00 0.00 H new ATOM 0 HD21 LEU A 32 120.434 -2.328 4.553 1.00 0.00 H new ATOM 0 HD22 LEU A 32 121.745 -2.150 3.362 1.00 0.00 H new ATOM 0 HD23 LEU A 32 121.347 -3.758 4.012 1.00 0.00 H new ATOM 517 N PHE A 33 124.273 -4.314 7.707 1.00 0.00 N ATOM 518 CA PHE A 33 123.779 -4.666 9.066 1.00 0.00 C ATOM 519 C PHE A 33 124.698 -4.026 10.110 1.00 0.00 C ATOM 520 O PHE A 33 124.246 -3.567 11.135 1.00 0.00 O ATOM 521 CB PHE A 33 123.747 -6.191 9.272 1.00 0.00 C ATOM 522 CG PHE A 33 122.505 -6.783 8.623 1.00 0.00 C ATOM 523 CD1 PHE A 33 121.221 -6.365 9.021 1.00 0.00 C ATOM 524 CD2 PHE A 33 122.638 -7.748 7.618 1.00 0.00 C ATOM 525 CE1 PHE A 33 120.088 -6.912 8.406 1.00 0.00 C ATOM 526 CE2 PHE A 33 121.504 -8.289 7.007 1.00 0.00 C ATOM 527 CZ PHE A 33 120.231 -7.870 7.396 1.00 0.00 C ATOM 0 H PHE A 33 124.509 -5.100 7.101 1.00 0.00 H new ATOM 0 HA PHE A 33 122.761 -4.291 9.175 1.00 0.00 H new ATOM 0 HB2 PHE A 33 124.641 -6.642 8.842 1.00 0.00 H new ATOM 0 HB3 PHE A 33 123.755 -6.422 10.337 1.00 0.00 H new ATOM 0 HD1 PHE A 33 121.110 -5.624 9.799 1.00 0.00 H new ATOM 0 HD2 PHE A 33 123.621 -8.076 7.314 1.00 0.00 H new ATOM 0 HE1 PHE A 33 119.102 -6.594 8.712 1.00 0.00 H new ATOM 0 HE2 PHE A 33 121.613 -9.033 6.232 1.00 0.00 H new ATOM 0 HZ PHE A 33 119.356 -8.285 6.918 1.00 0.00 H new ATOM 537 N SER A 34 125.981 -4.002 9.863 1.00 0.00 N ATOM 538 CA SER A 34 126.921 -3.408 10.859 1.00 0.00 C ATOM 539 C SER A 34 126.586 -1.930 11.111 1.00 0.00 C ATOM 540 O SER A 34 126.570 -1.481 12.239 1.00 0.00 O ATOM 541 CB SER A 34 128.348 -3.509 10.321 1.00 0.00 C ATOM 542 OG SER A 34 128.682 -4.877 10.125 1.00 0.00 O ATOM 0 H SER A 34 126.418 -4.367 9.017 1.00 0.00 H new ATOM 0 HA SER A 34 126.827 -3.955 11.797 1.00 0.00 H new ATOM 0 HB2 SER A 34 128.434 -2.964 9.381 1.00 0.00 H new ATOM 0 HB3 SER A 34 129.046 -3.049 11.021 1.00 0.00 H new ATOM 0 HG SER A 34 128.590 -5.104 9.176 1.00 0.00 H new ATOM 548 N PHE A 35 126.321 -1.167 10.085 1.00 0.00 N ATOM 549 CA PHE A 35 125.996 0.274 10.308 1.00 0.00 C ATOM 550 C PHE A 35 124.751 0.386 11.193 1.00 0.00 C ATOM 551 O PHE A 35 124.770 0.994 12.245 1.00 0.00 O ATOM 552 CB PHE A 35 125.718 0.943 8.960 1.00 0.00 C ATOM 553 CG PHE A 35 125.491 2.420 9.164 1.00 0.00 C ATOM 554 CD1 PHE A 35 124.228 2.890 9.545 1.00 0.00 C ATOM 555 CD2 PHE A 35 126.545 3.322 8.976 1.00 0.00 C ATOM 556 CE1 PHE A 35 124.019 4.260 9.738 1.00 0.00 C ATOM 557 CE2 PHE A 35 126.337 4.692 9.167 1.00 0.00 C ATOM 558 CZ PHE A 35 125.074 5.162 9.548 1.00 0.00 C ATOM 0 H PHE A 35 126.315 -1.473 9.112 1.00 0.00 H new ATOM 0 HA PHE A 35 126.837 0.766 10.797 1.00 0.00 H new ATOM 0 HB2 PHE A 35 126.558 0.784 8.284 1.00 0.00 H new ATOM 0 HB3 PHE A 35 124.843 0.492 8.492 1.00 0.00 H new ATOM 0 HD1 PHE A 35 123.415 2.194 9.690 1.00 0.00 H new ATOM 0 HD2 PHE A 35 127.519 2.960 8.683 1.00 0.00 H new ATOM 0 HE1 PHE A 35 123.045 4.622 10.033 1.00 0.00 H new ATOM 0 HE2 PHE A 35 127.150 5.387 9.021 1.00 0.00 H new ATOM 0 HZ PHE A 35 124.913 6.220 9.695 1.00 0.00 H new ATOM 568 N MET A 36 123.673 -0.205 10.765 1.00 0.00 N ATOM 569 CA MET A 36 122.403 -0.163 11.553 1.00 0.00 C ATOM 570 C MET A 36 122.526 -1.014 12.826 1.00 0.00 C ATOM 571 O MET A 36 121.704 -0.930 13.717 1.00 0.00 O ATOM 572 CB MET A 36 121.270 -0.707 10.681 1.00 0.00 C ATOM 573 CG MET A 36 121.617 -2.128 10.223 1.00 0.00 C ATOM 574 SD MET A 36 120.739 -2.505 8.687 1.00 0.00 S ATOM 575 CE MET A 36 119.234 -3.167 9.431 1.00 0.00 C ATOM 0 H MET A 36 123.613 -0.725 9.889 1.00 0.00 H new ATOM 0 HA MET A 36 122.196 0.866 11.847 1.00 0.00 H new ATOM 0 HB2 MET A 36 120.335 -0.712 11.242 1.00 0.00 H new ATOM 0 HB3 MET A 36 121.120 -0.061 9.816 1.00 0.00 H new ATOM 0 HG2 MET A 36 122.692 -2.219 10.070 1.00 0.00 H new ATOM 0 HG3 MET A 36 121.343 -2.847 10.996 1.00 0.00 H new ATOM 0 HE1 MET A 36 118.644 -3.674 8.668 1.00 0.00 H new ATOM 0 HE2 MET A 36 119.498 -3.875 10.216 1.00 0.00 H new ATOM 0 HE3 MET A 36 118.651 -2.352 9.859 1.00 0.00 H new ATOM 585 N GLN A 37 123.533 -1.843 12.916 1.00 0.00 N ATOM 586 CA GLN A 37 123.682 -2.705 14.131 1.00 0.00 C ATOM 587 C GLN A 37 123.643 -1.822 15.372 1.00 0.00 C ATOM 588 O GLN A 37 123.560 -2.301 16.486 1.00 0.00 O ATOM 589 CB GLN A 37 125.010 -3.475 14.084 1.00 0.00 C ATOM 590 CG GLN A 37 125.152 -4.359 15.329 1.00 0.00 C ATOM 591 CD GLN A 37 126.344 -5.301 15.152 1.00 0.00 C ATOM 592 OE1 GLN A 37 126.900 -5.399 14.076 1.00 0.00 O ATOM 593 NE2 GLN A 37 126.751 -6.018 16.163 1.00 0.00 N ATOM 0 H GLN A 37 124.256 -1.962 12.206 1.00 0.00 H new ATOM 0 HA GLN A 37 122.866 -3.427 14.161 1.00 0.00 H new ATOM 0 HB2 GLN A 37 125.051 -4.090 13.185 1.00 0.00 H new ATOM 0 HB3 GLN A 37 125.843 -2.775 14.029 1.00 0.00 H new ATOM 0 HG2 GLN A 37 125.293 -3.739 16.214 1.00 0.00 H new ATOM 0 HG3 GLN A 37 124.240 -4.935 15.485 1.00 0.00 H new ATOM 0 HE21 GLN A 37 126.285 -5.936 17.067 1.00 0.00 H new ATOM 0 HE22 GLN A 37 127.535 -6.660 16.050 1.00 0.00 H new ATOM 602 N LYS A 38 123.702 -0.529 15.197 1.00 0.00 N ATOM 603 CA LYS A 38 123.675 0.380 16.378 1.00 0.00 C ATOM 604 C LYS A 38 122.531 -0.057 17.301 1.00 0.00 C ATOM 605 O LYS A 38 122.728 -0.274 18.480 1.00 0.00 O ATOM 606 CB LYS A 38 123.448 1.818 15.890 1.00 0.00 C ATOM 607 CG LYS A 38 123.442 2.803 17.072 1.00 0.00 C ATOM 608 CD LYS A 38 124.839 2.873 17.711 1.00 0.00 C ATOM 609 CE LYS A 38 124.974 4.164 18.523 1.00 0.00 C ATOM 610 NZ LYS A 38 126.297 4.179 19.211 1.00 0.00 N ATOM 0 H LYS A 38 123.767 -0.065 14.291 1.00 0.00 H new ATOM 0 HA LYS A 38 124.617 0.335 16.925 1.00 0.00 H new ATOM 0 HB2 LYS A 38 124.231 2.095 15.184 1.00 0.00 H new ATOM 0 HB3 LYS A 38 122.500 1.880 15.355 1.00 0.00 H new ATOM 0 HG2 LYS A 38 123.141 3.793 16.729 1.00 0.00 H new ATOM 0 HG3 LYS A 38 122.710 2.487 17.815 1.00 0.00 H new ATOM 0 HD2 LYS A 38 124.998 2.009 18.356 1.00 0.00 H new ATOM 0 HD3 LYS A 38 125.605 2.838 16.937 1.00 0.00 H new ATOM 0 HE2 LYS A 38 124.882 5.030 17.868 1.00 0.00 H new ATOM 0 HE3 LYS A 38 124.170 4.232 19.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 126.391 5.055 19.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 126.367 3.359 19.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 127.057 4.133 18.503 1.00 0.00 H new ATOM 624 N ARG A 39 121.349 -0.239 16.772 1.00 0.00 N ATOM 625 CA ARG A 39 120.233 -0.721 17.634 1.00 0.00 C ATOM 626 C ARG A 39 120.516 -2.179 18.006 1.00 0.00 C ATOM 627 O ARG A 39 120.313 -2.594 19.129 1.00 0.00 O ATOM 628 CB ARG A 39 118.897 -0.610 16.896 1.00 0.00 C ATOM 629 CG ARG A 39 118.524 0.866 16.747 1.00 0.00 C ATOM 630 CD ARG A 39 117.121 0.985 16.148 1.00 0.00 C ATOM 631 NE ARG A 39 116.765 2.426 16.006 1.00 0.00 N ATOM 632 CZ ARG A 39 115.516 2.784 15.888 1.00 0.00 C ATOM 633 NH1 ARG A 39 114.581 1.876 15.807 1.00 0.00 N ATOM 634 NH2 ARG A 39 115.202 4.050 15.854 1.00 0.00 N ATOM 0 H ARG A 39 121.111 -0.077 15.793 1.00 0.00 H new ATOM 0 HA ARG A 39 120.166 -0.109 18.534 1.00 0.00 H new ATOM 0 HB2 ARG A 39 118.970 -1.079 15.915 1.00 0.00 H new ATOM 0 HB3 ARG A 39 118.119 -1.140 17.446 1.00 0.00 H new ATOM 0 HG2 ARG A 39 118.558 1.360 17.718 1.00 0.00 H new ATOM 0 HG3 ARG A 39 119.247 1.371 16.107 1.00 0.00 H new ATOM 0 HD2 ARG A 39 117.085 0.493 15.176 1.00 0.00 H new ATOM 0 HD3 ARG A 39 116.396 0.481 16.788 1.00 0.00 H new ATOM 0 HE ARG A 39 117.500 3.134 16.001 1.00 0.00 H new ATOM 0 HH11 ARG A 39 114.827 0.887 15.836 1.00 0.00 H new ATOM 0 HH12 ARG A 39 113.605 2.156 15.715 1.00 0.00 H new ATOM 0 HH21 ARG A 39 115.933 4.759 15.920 1.00 0.00 H new ATOM 0 HH22 ARG A 39 114.226 4.331 15.762 1.00 0.00 H new ATOM 648 N GLY A 40 121.014 -2.953 17.063 1.00 0.00 N ATOM 649 CA GLY A 40 121.353 -4.388 17.341 1.00 0.00 C ATOM 650 C GLY A 40 120.413 -5.342 16.589 1.00 0.00 C ATOM 651 O GLY A 40 120.651 -6.533 16.552 1.00 0.00 O ATOM 0 H GLY A 40 121.200 -2.648 16.108 1.00 0.00 H new ATOM 0 HA2 GLY A 40 122.384 -4.583 17.046 1.00 0.00 H new ATOM 0 HA3 GLY A 40 121.286 -4.578 18.412 1.00 0.00 H new ATOM 655 N THR A 41 119.347 -4.845 15.996 1.00 0.00 N ATOM 656 CA THR A 41 118.394 -5.749 15.256 1.00 0.00 C ATOM 657 C THR A 41 118.464 -5.473 13.737 1.00 0.00 C ATOM 658 O THR A 41 118.825 -4.388 13.323 1.00 0.00 O ATOM 659 CB THR A 41 116.961 -5.490 15.770 1.00 0.00 C ATOM 660 OG1 THR A 41 116.861 -4.141 16.207 1.00 0.00 O ATOM 661 CG2 THR A 41 116.645 -6.426 16.944 1.00 0.00 C ATOM 0 H THR A 41 119.095 -3.857 15.991 1.00 0.00 H new ATOM 0 HA THR A 41 118.669 -6.789 15.431 1.00 0.00 H new ATOM 0 HB THR A 41 116.251 -5.677 14.964 1.00 0.00 H new ATOM 0 HG1 THR A 41 115.953 -3.969 16.533 1.00 0.00 H new ATOM 0 HG21 THR A 41 115.632 -6.235 17.299 1.00 0.00 H new ATOM 0 HG22 THR A 41 116.725 -7.462 16.615 1.00 0.00 H new ATOM 0 HG23 THR A 41 117.353 -6.247 17.753 1.00 0.00 H new ATOM 669 N PRO A 42 118.110 -6.444 12.907 1.00 0.00 N ATOM 670 CA PRO A 42 118.143 -6.244 11.427 1.00 0.00 C ATOM 671 C PRO A 42 117.300 -5.034 10.982 1.00 0.00 C ATOM 672 O PRO A 42 117.073 -4.107 11.734 1.00 0.00 O ATOM 673 CB PRO A 42 117.551 -7.570 10.888 1.00 0.00 C ATOM 674 CG PRO A 42 117.186 -8.472 12.083 1.00 0.00 C ATOM 675 CD PRO A 42 117.670 -7.793 13.374 1.00 0.00 C ATOM 0 HA PRO A 42 119.145 -6.029 11.055 1.00 0.00 H new ATOM 0 HB2 PRO A 42 116.667 -7.370 10.282 1.00 0.00 H new ATOM 0 HB3 PRO A 42 118.273 -8.071 10.243 1.00 0.00 H new ATOM 0 HG2 PRO A 42 116.109 -8.633 12.121 1.00 0.00 H new ATOM 0 HG3 PRO A 42 117.651 -9.452 11.973 1.00 0.00 H new ATOM 0 HD2 PRO A 42 116.873 -7.722 14.115 1.00 0.00 H new ATOM 0 HD3 PRO A 42 118.488 -8.345 13.837 1.00 0.00 H new ATOM 683 N ILE A 43 116.839 -5.049 9.759 1.00 0.00 N ATOM 684 CA ILE A 43 116.014 -3.920 9.241 1.00 0.00 C ATOM 685 C ILE A 43 114.650 -3.930 9.949 1.00 0.00 C ATOM 686 O ILE A 43 114.544 -4.338 11.090 1.00 0.00 O ATOM 687 CB ILE A 43 115.876 -4.090 7.705 1.00 0.00 C ATOM 688 CG1 ILE A 43 115.630 -2.718 7.031 1.00 0.00 C ATOM 689 CG2 ILE A 43 114.731 -5.070 7.352 1.00 0.00 C ATOM 690 CD1 ILE A 43 116.964 -1.996 6.784 1.00 0.00 C ATOM 0 H ILE A 43 117.001 -5.803 9.091 1.00 0.00 H new ATOM 0 HA ILE A 43 116.481 -2.956 9.442 1.00 0.00 H new ATOM 0 HB ILE A 43 116.810 -4.508 7.328 1.00 0.00 H new ATOM 0 HG12 ILE A 43 115.105 -2.859 6.086 1.00 0.00 H new ATOM 0 HG13 ILE A 43 114.989 -2.104 7.664 1.00 0.00 H new ATOM 0 HG21 ILE A 43 114.658 -5.169 6.269 1.00 0.00 H new ATOM 0 HG22 ILE A 43 114.938 -6.045 7.793 1.00 0.00 H new ATOM 0 HG23 ILE A 43 113.790 -4.687 7.745 1.00 0.00 H new ATOM 0 HD11 ILE A 43 116.774 -1.033 6.310 1.00 0.00 H new ATOM 0 HD12 ILE A 43 117.474 -1.838 7.734 1.00 0.00 H new ATOM 0 HD13 ILE A 43 117.592 -2.604 6.132 1.00 0.00 H new ATOM 702 N ASN A 44 113.608 -3.488 9.300 1.00 0.00 N ATOM 703 CA ASN A 44 112.268 -3.478 9.961 1.00 0.00 C ATOM 704 C ASN A 44 111.590 -4.834 9.766 1.00 0.00 C ATOM 705 O ASN A 44 111.519 -5.634 10.678 1.00 0.00 O ATOM 706 CB ASN A 44 111.402 -2.383 9.340 1.00 0.00 C ATOM 707 CG ASN A 44 110.097 -2.257 10.127 1.00 0.00 C ATOM 708 OD1 ASN A 44 109.937 -2.872 11.162 1.00 0.00 O ATOM 709 ND2 ASN A 44 109.150 -1.478 9.679 1.00 0.00 N ATOM 0 H ASN A 44 113.624 -3.134 8.344 1.00 0.00 H new ATOM 0 HA ASN A 44 112.392 -3.285 11.027 1.00 0.00 H new ATOM 0 HB2 ASN A 44 111.937 -1.433 9.348 1.00 0.00 H new ATOM 0 HB3 ASN A 44 111.189 -2.620 8.298 1.00 0.00 H new ATOM 0 HD21 ASN A 44 108.277 -1.386 10.198 1.00 0.00 H new ATOM 0 HD22 ASN A 44 109.283 -0.961 8.810 1.00 0.00 H new ATOM 716 N ARG A 45 111.095 -5.110 8.584 1.00 0.00 N ATOM 717 CA ARG A 45 110.427 -6.426 8.334 1.00 0.00 C ATOM 718 C ARG A 45 110.816 -6.943 6.948 1.00 0.00 C ATOM 719 O ARG A 45 110.940 -6.191 6.002 1.00 0.00 O ATOM 720 CB ARG A 45 108.907 -6.262 8.409 1.00 0.00 C ATOM 721 CG ARG A 45 108.493 -5.996 9.859 1.00 0.00 C ATOM 722 CD ARG A 45 106.968 -6.043 9.971 1.00 0.00 C ATOM 723 NE ARG A 45 106.550 -5.495 11.295 1.00 0.00 N ATOM 724 CZ ARG A 45 106.425 -4.206 11.457 1.00 0.00 C ATOM 725 NH1 ARG A 45 105.366 -3.591 11.006 1.00 0.00 N ATOM 726 NH2 ARG A 45 107.360 -3.532 12.070 1.00 0.00 N ATOM 0 H ARG A 45 111.125 -4.481 7.782 1.00 0.00 H new ATOM 0 HA ARG A 45 110.749 -7.139 9.093 1.00 0.00 H new ATOM 0 HB2 ARG A 45 108.588 -5.438 7.771 1.00 0.00 H new ATOM 0 HB3 ARG A 45 108.415 -7.161 8.038 1.00 0.00 H new ATOM 0 HG2 ARG A 45 108.940 -6.740 10.518 1.00 0.00 H new ATOM 0 HG3 ARG A 45 108.862 -5.022 10.181 1.00 0.00 H new ATOM 0 HD2 ARG A 45 106.515 -5.464 9.166 1.00 0.00 H new ATOM 0 HD3 ARG A 45 106.616 -7.069 9.862 1.00 0.00 H new ATOM 0 HE ARG A 45 106.362 -6.128 12.073 1.00 0.00 H new ATOM 0 HH11 ARG A 45 104.636 -4.118 10.527 1.00 0.00 H new ATOM 0 HH12 ARG A 45 105.269 -2.584 11.133 1.00 0.00 H new ATOM 0 HH21 ARG A 45 108.188 -4.013 12.422 1.00 0.00 H new ATOM 0 HH22 ARG A 45 107.263 -2.525 12.197 1.00 0.00 H new ATOM 740 N LEU A 46 111.008 -8.230 6.833 1.00 0.00 N ATOM 741 CA LEU A 46 111.391 -8.848 5.525 1.00 0.00 C ATOM 742 C LEU A 46 110.456 -10.037 5.254 1.00 0.00 C ATOM 743 O LEU A 46 110.803 -11.164 5.549 1.00 0.00 O ATOM 744 CB LEU A 46 112.832 -9.360 5.615 1.00 0.00 C ATOM 745 CG LEU A 46 113.805 -8.180 5.761 1.00 0.00 C ATOM 746 CD1 LEU A 46 115.169 -8.709 6.212 1.00 0.00 C ATOM 747 CD2 LEU A 46 113.965 -7.439 4.420 1.00 0.00 C ATOM 0 H LEU A 46 110.914 -8.893 7.603 1.00 0.00 H new ATOM 0 HA LEU A 46 111.310 -8.113 4.725 1.00 0.00 H new ATOM 0 HB2 LEU A 46 112.934 -10.033 6.466 1.00 0.00 H new ATOM 0 HB3 LEU A 46 113.078 -9.936 4.723 1.00 0.00 H new ATOM 0 HG LEU A 46 113.407 -7.484 6.499 1.00 0.00 H new ATOM 0 HD11 LEU A 46 115.865 -7.877 6.318 1.00 0.00 H new ATOM 0 HD12 LEU A 46 115.063 -9.218 7.170 1.00 0.00 H new ATOM 0 HD13 LEU A 46 115.551 -9.410 5.470 1.00 0.00 H new ATOM 0 HD21 LEU A 46 114.658 -6.607 4.545 1.00 0.00 H new ATOM 0 HD22 LEU A 46 114.354 -8.126 3.669 1.00 0.00 H new ATOM 0 HD23 LEU A 46 112.996 -7.059 4.096 1.00 0.00 H new ATOM 759 N PRO A 47 109.269 -9.812 4.726 1.00 0.00 N ATOM 760 CA PRO A 47 108.332 -10.943 4.485 1.00 0.00 C ATOM 761 C PRO A 47 108.945 -12.028 3.589 1.00 0.00 C ATOM 762 O PRO A 47 110.054 -11.895 3.107 1.00 0.00 O ATOM 763 CB PRO A 47 107.112 -10.255 3.838 1.00 0.00 C ATOM 764 CG PRO A 47 107.388 -8.737 3.753 1.00 0.00 C ATOM 765 CD PRO A 47 108.792 -8.455 4.327 1.00 0.00 C ATOM 0 HA PRO A 47 108.074 -11.483 5.396 1.00 0.00 H new ATOM 0 HB2 PRO A 47 106.931 -10.663 2.843 1.00 0.00 H new ATOM 0 HB3 PRO A 47 106.215 -10.444 4.428 1.00 0.00 H new ATOM 0 HG2 PRO A 47 107.328 -8.400 2.718 1.00 0.00 H new ATOM 0 HG3 PRO A 47 106.633 -8.184 4.312 1.00 0.00 H new ATOM 0 HD2 PRO A 47 109.447 -7.999 3.585 1.00 0.00 H new ATOM 0 HD3 PRO A 47 108.751 -7.775 5.178 1.00 0.00 H new ATOM 773 N ILE A 48 108.233 -13.110 3.383 1.00 0.00 N ATOM 774 CA ILE A 48 108.763 -14.226 2.545 1.00 0.00 C ATOM 775 C ILE A 48 107.996 -14.275 1.225 1.00 0.00 C ATOM 776 O ILE A 48 106.788 -14.398 1.193 1.00 0.00 O ATOM 777 CB ILE A 48 108.557 -15.552 3.283 1.00 0.00 C ATOM 778 CG1 ILE A 48 109.017 -15.434 4.751 1.00 0.00 C ATOM 779 CG2 ILE A 48 109.357 -16.650 2.580 1.00 0.00 C ATOM 780 CD1 ILE A 48 110.520 -15.134 4.847 1.00 0.00 C ATOM 0 H ILE A 48 107.300 -13.267 3.764 1.00 0.00 H new ATOM 0 HA ILE A 48 109.824 -14.065 2.353 1.00 0.00 H new ATOM 0 HB ILE A 48 107.496 -15.801 3.272 1.00 0.00 H new ATOM 0 HG12 ILE A 48 108.455 -14.643 5.247 1.00 0.00 H new ATOM 0 HG13 ILE A 48 108.796 -16.362 5.279 1.00 0.00 H new ATOM 0 HG21 ILE A 48 109.213 -17.596 3.102 1.00 0.00 H new ATOM 0 HG22 ILE A 48 109.013 -16.748 1.550 1.00 0.00 H new ATOM 0 HG23 ILE A 48 110.415 -16.390 2.586 1.00 0.00 H new ATOM 0 HD11 ILE A 48 110.810 -15.057 5.895 1.00 0.00 H new ATOM 0 HD12 ILE A 48 111.083 -15.938 4.373 1.00 0.00 H new ATOM 0 HD13 ILE A 48 110.736 -14.193 4.341 1.00 0.00 H new ATOM 841 N SER A 52 110.376 -17.708 -1.921 1.00 0.00 N ATOM 842 CA SER A 52 111.548 -16.794 -2.033 1.00 0.00 C ATOM 843 C SER A 52 111.509 -15.800 -0.878 1.00 0.00 C ATOM 844 O SER A 52 110.620 -15.832 -0.050 1.00 0.00 O ATOM 845 CB SER A 52 111.492 -16.035 -3.358 1.00 0.00 C ATOM 846 OG SER A 52 112.323 -14.885 -3.276 1.00 0.00 O ATOM 0 HA SER A 52 112.469 -17.375 -1.996 1.00 0.00 H new ATOM 0 HB2 SER A 52 111.822 -16.679 -4.173 1.00 0.00 H new ATOM 0 HB3 SER A 52 110.466 -15.741 -3.579 1.00 0.00 H new ATOM 0 HG SER A 52 112.290 -14.397 -4.125 1.00 0.00 H new ATOM 852 N VAL A 53 112.468 -14.917 -0.818 1.00 0.00 N ATOM 853 CA VAL A 53 112.509 -13.902 0.280 1.00 0.00 C ATOM 854 C VAL A 53 112.678 -12.513 -0.326 1.00 0.00 C ATOM 855 O VAL A 53 113.339 -12.338 -1.330 1.00 0.00 O ATOM 856 CB VAL A 53 113.689 -14.198 1.204 1.00 0.00 C ATOM 857 CG1 VAL A 53 113.381 -15.435 2.051 1.00 0.00 C ATOM 858 CG2 VAL A 53 114.940 -14.449 0.361 1.00 0.00 C ATOM 0 H VAL A 53 113.234 -14.853 -1.489 1.00 0.00 H new ATOM 0 HA VAL A 53 111.581 -13.944 0.851 1.00 0.00 H new ATOM 0 HB VAL A 53 113.859 -13.347 1.863 1.00 0.00 H new ATOM 0 HG11 VAL A 53 114.224 -15.644 2.709 1.00 0.00 H new ATOM 0 HG12 VAL A 53 112.489 -15.253 2.650 1.00 0.00 H new ATOM 0 HG13 VAL A 53 113.210 -16.290 1.397 1.00 0.00 H new ATOM 0 HG21 VAL A 53 115.784 -14.661 1.017 1.00 0.00 H new ATOM 0 HG22 VAL A 53 114.770 -15.301 -0.298 1.00 0.00 H new ATOM 0 HG23 VAL A 53 115.159 -13.565 -0.238 1.00 0.00 H new ATOM 868 N LEU A 54 112.079 -11.523 0.270 1.00 0.00 N ATOM 869 CA LEU A 54 112.202 -10.148 -0.281 1.00 0.00 C ATOM 870 C LEU A 54 113.674 -9.729 -0.238 1.00 0.00 C ATOM 871 O LEU A 54 114.183 -9.310 0.782 1.00 0.00 O ATOM 872 CB LEU A 54 111.357 -9.195 0.574 1.00 0.00 C ATOM 873 CG LEU A 54 111.453 -7.761 0.037 1.00 0.00 C ATOM 874 CD1 LEU A 54 110.901 -7.697 -1.397 1.00 0.00 C ATOM 875 CD2 LEU A 54 110.636 -6.837 0.948 1.00 0.00 C ATOM 0 H LEU A 54 111.511 -11.606 1.113 1.00 0.00 H new ATOM 0 HA LEU A 54 111.849 -10.115 -1.312 1.00 0.00 H new ATOM 0 HB2 LEU A 54 110.317 -9.521 0.572 1.00 0.00 H new ATOM 0 HB3 LEU A 54 111.699 -9.226 1.609 1.00 0.00 H new ATOM 0 HG LEU A 54 112.496 -7.444 0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 54 110.973 -6.675 -1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 54 111.481 -8.359 -2.040 1.00 0.00 H new ATOM 0 HD13 LEU A 54 109.857 -8.011 -1.399 1.00 0.00 H new ATOM 0 HD21 LEU A 54 110.696 -5.814 0.577 1.00 0.00 H new ATOM 0 HD22 LEU A 54 109.595 -7.160 0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 54 111.035 -6.879 1.961 1.00 0.00 H new ATOM 887 N ASP A 55 114.365 -9.849 -1.341 1.00 0.00 N ATOM 888 CA ASP A 55 115.804 -9.465 -1.370 1.00 0.00 C ATOM 889 C ASP A 55 115.936 -7.945 -1.266 1.00 0.00 C ATOM 890 O ASP A 55 115.876 -7.241 -2.253 1.00 0.00 O ATOM 891 CB ASP A 55 116.432 -9.940 -2.682 1.00 0.00 C ATOM 892 CG ASP A 55 117.944 -9.710 -2.640 1.00 0.00 C ATOM 893 OD1 ASP A 55 118.395 -9.027 -1.736 1.00 0.00 O ATOM 894 OD2 ASP A 55 118.626 -10.224 -3.511 1.00 0.00 O ATOM 0 H ASP A 55 113.992 -10.197 -2.224 1.00 0.00 H new ATOM 0 HA ASP A 55 116.317 -9.930 -0.528 1.00 0.00 H new ATOM 0 HB2 ASP A 55 116.219 -10.998 -2.837 1.00 0.00 H new ATOM 0 HB3 ASP A 55 115.995 -9.401 -3.522 1.00 0.00 H new ATOM 899 N LEU A 56 116.121 -7.435 -0.081 1.00 0.00 N ATOM 900 CA LEU A 56 116.262 -5.961 0.076 1.00 0.00 C ATOM 901 C LEU A 56 117.390 -5.459 -0.832 1.00 0.00 C ATOM 902 O LEU A 56 117.444 -4.301 -1.190 1.00 0.00 O ATOM 903 CB LEU A 56 116.573 -5.632 1.543 1.00 0.00 C ATOM 904 CG LEU A 56 117.855 -6.377 2.009 1.00 0.00 C ATOM 905 CD1 LEU A 56 119.060 -5.429 1.992 1.00 0.00 C ATOM 906 CD2 LEU A 56 117.664 -6.902 3.439 1.00 0.00 C ATOM 0 H LEU A 56 116.181 -7.973 0.783 1.00 0.00 H new ATOM 0 HA LEU A 56 115.332 -5.467 -0.208 1.00 0.00 H new ATOM 0 HB2 LEU A 56 116.708 -4.557 1.660 1.00 0.00 H new ATOM 0 HB3 LEU A 56 115.730 -5.918 2.172 1.00 0.00 H new ATOM 0 HG LEU A 56 118.035 -7.208 1.327 1.00 0.00 H new ATOM 0 HD11 LEU A 56 119.950 -5.966 2.321 1.00 0.00 H new ATOM 0 HD12 LEU A 56 119.215 -5.056 0.980 1.00 0.00 H new ATOM 0 HD13 LEU A 56 118.873 -4.591 2.663 1.00 0.00 H new ATOM 0 HD21 LEU A 56 118.566 -7.423 3.759 1.00 0.00 H new ATOM 0 HD22 LEU A 56 117.470 -6.066 4.111 1.00 0.00 H new ATOM 0 HD23 LEU A 56 116.819 -7.591 3.464 1.00 0.00 H new ATOM 918 N TYR A 57 118.287 -6.329 -1.209 1.00 0.00 N ATOM 919 CA TYR A 57 119.410 -5.913 -2.098 1.00 0.00 C ATOM 920 C TYR A 57 118.841 -5.374 -3.417 1.00 0.00 C ATOM 921 O TYR A 57 119.337 -4.413 -3.970 1.00 0.00 O ATOM 922 CB TYR A 57 120.304 -7.132 -2.386 1.00 0.00 C ATOM 923 CG TYR A 57 121.670 -6.680 -2.873 1.00 0.00 C ATOM 924 CD1 TYR A 57 121.808 -6.062 -4.125 1.00 0.00 C ATOM 925 CD2 TYR A 57 122.803 -6.883 -2.069 1.00 0.00 C ATOM 926 CE1 TYR A 57 123.068 -5.645 -4.567 1.00 0.00 C ATOM 927 CE2 TYR A 57 124.064 -6.466 -2.514 1.00 0.00 C ATOM 928 CZ TYR A 57 124.196 -5.844 -3.762 1.00 0.00 C ATOM 929 OH TYR A 57 125.439 -5.434 -4.199 1.00 0.00 O ATOM 0 H TYR A 57 118.291 -7.313 -0.939 1.00 0.00 H new ATOM 0 HA TYR A 57 119.997 -5.135 -1.611 1.00 0.00 H new ATOM 0 HB2 TYR A 57 120.413 -7.733 -1.483 1.00 0.00 H new ATOM 0 HB3 TYR A 57 119.834 -7.767 -3.137 1.00 0.00 H new ATOM 0 HD1 TYR A 57 120.940 -5.908 -4.749 1.00 0.00 H new ATOM 0 HD2 TYR A 57 122.702 -7.361 -1.106 1.00 0.00 H new ATOM 0 HE1 TYR A 57 123.171 -5.169 -5.531 1.00 0.00 H new ATOM 0 HE2 TYR A 57 124.935 -6.624 -1.895 1.00 0.00 H new ATOM 0 HH TYR A 57 125.995 -5.197 -3.428 1.00 0.00 H new ATOM 939 N GLU A 58 117.818 -6.000 -3.933 1.00 0.00 N ATOM 940 CA GLU A 58 117.236 -5.543 -5.230 1.00 0.00 C ATOM 941 C GLU A 58 116.724 -4.106 -5.102 1.00 0.00 C ATOM 942 O GLU A 58 116.881 -3.307 -6.003 1.00 0.00 O ATOM 943 CB GLU A 58 116.081 -6.470 -5.626 1.00 0.00 C ATOM 944 CG GLU A 58 115.569 -6.102 -7.025 1.00 0.00 C ATOM 945 CD GLU A 58 116.637 -6.440 -8.067 1.00 0.00 C ATOM 946 OE1 GLU A 58 117.504 -7.243 -7.761 1.00 0.00 O ATOM 947 OE2 GLU A 58 116.570 -5.891 -9.156 1.00 0.00 O ATOM 0 H GLU A 58 117.359 -6.808 -3.513 1.00 0.00 H new ATOM 0 HA GLU A 58 118.009 -5.574 -5.998 1.00 0.00 H new ATOM 0 HB2 GLU A 58 116.416 -7.507 -5.613 1.00 0.00 H new ATOM 0 HB3 GLU A 58 115.272 -6.387 -4.900 1.00 0.00 H new ATOM 0 HG2 GLU A 58 114.650 -6.646 -7.242 1.00 0.00 H new ATOM 0 HG3 GLU A 58 115.328 -5.040 -7.068 1.00 0.00 H new ATOM 954 N LEU A 59 116.113 -3.762 -4.002 1.00 0.00 N ATOM 955 CA LEU A 59 115.606 -2.367 -3.860 1.00 0.00 C ATOM 956 C LEU A 59 116.780 -1.399 -3.997 1.00 0.00 C ATOM 957 O LEU A 59 116.722 -0.440 -4.742 1.00 0.00 O ATOM 958 CB LEU A 59 114.954 -2.193 -2.476 1.00 0.00 C ATOM 959 CG LEU A 59 114.453 -0.746 -2.286 1.00 0.00 C ATOM 960 CD1 LEU A 59 113.290 -0.456 -3.244 1.00 0.00 C ATOM 961 CD2 LEU A 59 113.983 -0.561 -0.838 1.00 0.00 C ATOM 0 H LEU A 59 115.944 -4.376 -3.205 1.00 0.00 H new ATOM 0 HA LEU A 59 114.865 -2.163 -4.633 1.00 0.00 H new ATOM 0 HB2 LEU A 59 114.121 -2.888 -2.371 1.00 0.00 H new ATOM 0 HB3 LEU A 59 115.674 -2.439 -1.696 1.00 0.00 H new ATOM 0 HG LEU A 59 115.267 -0.055 -2.503 1.00 0.00 H new ATOM 0 HD11 LEU A 59 112.946 0.568 -3.099 1.00 0.00 H new ATOM 0 HD12 LEU A 59 113.626 -0.584 -4.273 1.00 0.00 H new ATOM 0 HD13 LEU A 59 112.471 -1.146 -3.041 1.00 0.00 H new ATOM 0 HD21 LEU A 59 113.628 0.460 -0.698 1.00 0.00 H new ATOM 0 HD22 LEU A 59 113.173 -1.259 -0.626 1.00 0.00 H new ATOM 0 HD23 LEU A 59 114.814 -0.752 -0.159 1.00 0.00 H new ATOM 973 N TYR A 60 117.839 -1.632 -3.276 1.00 0.00 N ATOM 974 CA TYR A 60 119.006 -0.713 -3.358 1.00 0.00 C ATOM 975 C TYR A 60 119.564 -0.657 -4.785 1.00 0.00 C ATOM 976 O TYR A 60 119.807 0.406 -5.321 1.00 0.00 O ATOM 977 CB TYR A 60 120.113 -1.172 -2.414 1.00 0.00 C ATOM 978 CG TYR A 60 121.174 -0.111 -2.438 1.00 0.00 C ATOM 979 CD1 TYR A 60 120.905 1.127 -1.854 1.00 0.00 C ATOM 980 CD2 TYR A 60 122.399 -0.338 -3.076 1.00 0.00 C ATOM 981 CE1 TYR A 60 121.852 2.142 -1.906 1.00 0.00 C ATOM 982 CE2 TYR A 60 123.356 0.681 -3.120 1.00 0.00 C ATOM 983 CZ TYR A 60 123.079 1.922 -2.535 1.00 0.00 C ATOM 984 OH TYR A 60 124.005 2.936 -2.589 1.00 0.00 O ATOM 0 H TYR A 60 117.947 -2.418 -2.634 1.00 0.00 H new ATOM 0 HA TYR A 60 118.662 0.280 -3.069 1.00 0.00 H new ATOM 0 HB2 TYR A 60 119.727 -1.309 -1.404 1.00 0.00 H new ATOM 0 HB3 TYR A 60 120.519 -2.132 -2.733 1.00 0.00 H new ATOM 0 HD1 TYR A 60 119.959 1.297 -1.361 1.00 0.00 H new ATOM 0 HD2 TYR A 60 122.604 -1.295 -3.532 1.00 0.00 H new ATOM 0 HE1 TYR A 60 121.639 3.102 -1.460 1.00 0.00 H new ATOM 0 HE2 TYR A 60 124.306 0.511 -3.604 1.00 0.00 H new ATOM 0 HH TYR A 60 124.806 2.623 -3.059 1.00 0.00 H new ATOM 994 N ASN A 61 119.806 -1.787 -5.396 1.00 0.00 N ATOM 995 CA ASN A 61 120.389 -1.779 -6.769 1.00 0.00 C ATOM 996 C ASN A 61 119.465 -1.016 -7.736 1.00 0.00 C ATOM 997 O ASN A 61 119.912 -0.182 -8.497 1.00 0.00 O ATOM 998 CB ASN A 61 120.616 -3.252 -7.221 1.00 0.00 C ATOM 999 CG ASN A 61 119.701 -3.655 -8.392 1.00 0.00 C ATOM 1000 OD1 ASN A 61 119.671 -2.994 -9.413 1.00 0.00 O ATOM 1001 ND2 ASN A 61 118.961 -4.723 -8.288 1.00 0.00 N ATOM 0 H ASN A 61 119.626 -2.712 -5.005 1.00 0.00 H new ATOM 0 HA ASN A 61 121.348 -1.262 -6.772 1.00 0.00 H new ATOM 0 HB2 ASN A 61 121.657 -3.382 -7.516 1.00 0.00 H new ATOM 0 HB3 ASN A 61 120.438 -3.919 -6.378 1.00 0.00 H new ATOM 0 HD21 ASN A 61 118.358 -5.003 -9.062 1.00 0.00 H new ATOM 0 HD22 ASN A 61 118.985 -5.279 -7.433 1.00 0.00 H new ATOM 1008 N LEU A 62 118.191 -1.296 -7.721 1.00 0.00 N ATOM 1009 CA LEU A 62 117.269 -0.582 -8.653 1.00 0.00 C ATOM 1010 C LEU A 62 117.301 0.924 -8.374 1.00 0.00 C ATOM 1011 O LEU A 62 117.268 1.732 -9.282 1.00 0.00 O ATOM 1012 CB LEU A 62 115.836 -1.097 -8.465 1.00 0.00 C ATOM 1013 CG LEU A 62 115.718 -2.554 -8.940 1.00 0.00 C ATOM 1014 CD1 LEU A 62 114.295 -3.052 -8.663 1.00 0.00 C ATOM 1015 CD2 LEU A 62 116.018 -2.654 -10.451 1.00 0.00 C ATOM 0 H LEU A 62 117.750 -1.983 -7.109 1.00 0.00 H new ATOM 0 HA LEU A 62 117.595 -0.768 -9.676 1.00 0.00 H new ATOM 0 HB2 LEU A 62 115.554 -1.027 -7.415 1.00 0.00 H new ATOM 0 HB3 LEU A 62 115.142 -0.469 -9.024 1.00 0.00 H new ATOM 0 HG LEU A 62 116.441 -3.168 -8.402 1.00 0.00 H new ATOM 0 HD11 LEU A 62 114.200 -4.085 -8.996 1.00 0.00 H new ATOM 0 HD12 LEU A 62 114.091 -2.995 -7.594 1.00 0.00 H new ATOM 0 HD13 LEU A 62 113.580 -2.430 -9.202 1.00 0.00 H new ATOM 0 HD21 LEU A 62 115.930 -3.692 -10.771 1.00 0.00 H new ATOM 0 HD22 LEU A 62 115.306 -2.042 -11.005 1.00 0.00 H new ATOM 0 HD23 LEU A 62 117.030 -2.299 -10.645 1.00 0.00 H new ATOM 1027 N VAL A 63 117.348 1.308 -7.131 1.00 0.00 N ATOM 1028 CA VAL A 63 117.364 2.761 -6.796 1.00 0.00 C ATOM 1029 C VAL A 63 118.625 3.422 -7.375 1.00 0.00 C ATOM 1030 O VAL A 63 118.543 4.373 -8.128 1.00 0.00 O ATOM 1031 CB VAL A 63 117.323 2.903 -5.264 1.00 0.00 C ATOM 1032 CG1 VAL A 63 117.820 4.286 -4.827 1.00 0.00 C ATOM 1033 CG2 VAL A 63 115.878 2.706 -4.782 1.00 0.00 C ATOM 0 H VAL A 63 117.376 0.678 -6.329 1.00 0.00 H new ATOM 0 HA VAL A 63 116.499 3.261 -7.231 1.00 0.00 H new ATOM 0 HB VAL A 63 117.976 2.149 -4.825 1.00 0.00 H new ATOM 0 HG11 VAL A 63 117.781 4.360 -3.740 1.00 0.00 H new ATOM 0 HG12 VAL A 63 118.847 4.427 -5.163 1.00 0.00 H new ATOM 0 HG13 VAL A 63 117.186 5.056 -5.266 1.00 0.00 H new ATOM 0 HG21 VAL A 63 115.840 2.805 -3.697 1.00 0.00 H new ATOM 0 HG22 VAL A 63 115.236 3.460 -5.238 1.00 0.00 H new ATOM 0 HG23 VAL A 63 115.531 1.713 -5.068 1.00 0.00 H new ATOM 1043 N ILE A 64 119.784 2.930 -7.040 1.00 0.00 N ATOM 1044 CA ILE A 64 121.032 3.540 -7.584 1.00 0.00 C ATOM 1045 C ILE A 64 121.036 3.412 -9.108 1.00 0.00 C ATOM 1046 O ILE A 64 121.437 4.315 -9.816 1.00 0.00 O ATOM 1047 CB ILE A 64 122.249 2.810 -7.007 1.00 0.00 C ATOM 1048 CG1 ILE A 64 122.286 2.962 -5.475 1.00 0.00 C ATOM 1049 CG2 ILE A 64 123.531 3.378 -7.618 1.00 0.00 C ATOM 1050 CD1 ILE A 64 122.282 4.445 -5.065 1.00 0.00 C ATOM 0 H ILE A 64 119.923 2.135 -6.416 1.00 0.00 H new ATOM 0 HA ILE A 64 121.075 4.593 -7.307 1.00 0.00 H new ATOM 0 HB ILE A 64 122.173 1.751 -7.252 1.00 0.00 H new ATOM 0 HG12 ILE A 64 121.425 2.458 -5.036 1.00 0.00 H new ATOM 0 HG13 ILE A 64 123.177 2.475 -5.080 1.00 0.00 H new ATOM 0 HG21 ILE A 64 124.394 2.856 -7.204 1.00 0.00 H new ATOM 0 HG22 ILE A 64 123.509 3.243 -8.699 1.00 0.00 H new ATOM 0 HG23 ILE A 64 123.605 4.440 -7.386 1.00 0.00 H new ATOM 0 HD11 ILE A 64 122.309 4.522 -3.978 1.00 0.00 H new ATOM 0 HD12 ILE A 64 123.157 4.941 -5.485 1.00 0.00 H new ATOM 0 HD13 ILE A 64 121.378 4.924 -5.441 1.00 0.00 H new ATOM 1062 N ALA A 65 120.596 2.297 -9.618 1.00 0.00 N ATOM 1063 CA ALA A 65 120.580 2.109 -11.095 1.00 0.00 C ATOM 1064 C ALA A 65 119.876 3.295 -11.760 1.00 0.00 C ATOM 1065 O ALA A 65 119.988 3.501 -12.953 1.00 0.00 O ATOM 1066 CB ALA A 65 119.836 0.815 -11.435 1.00 0.00 C ATOM 0 H ALA A 65 120.246 1.507 -9.076 1.00 0.00 H new ATOM 0 HA ALA A 65 121.604 2.048 -11.463 1.00 0.00 H new ATOM 0 HB1 ALA A 65 119.823 0.676 -12.516 1.00 0.00 H new ATOM 0 HB2 ALA A 65 120.342 -0.029 -10.966 1.00 0.00 H new ATOM 0 HB3 ALA A 65 118.813 0.876 -11.065 1.00 0.00 H new ATOM 1072 N ARG A 66 119.144 4.079 -11.005 1.00 0.00 N ATOM 1073 CA ARG A 66 118.430 5.251 -11.607 1.00 0.00 C ATOM 1074 C ARG A 66 119.262 6.525 -11.430 1.00 0.00 C ATOM 1075 O ARG A 66 118.985 7.537 -12.044 1.00 0.00 O ATOM 1076 CB ARG A 66 117.074 5.435 -10.926 1.00 0.00 C ATOM 1077 CG ARG A 66 116.145 4.290 -11.327 1.00 0.00 C ATOM 1078 CD ARG A 66 114.781 4.484 -10.664 1.00 0.00 C ATOM 1079 NE ARG A 66 113.877 3.363 -11.052 1.00 0.00 N ATOM 1080 CZ ARG A 66 113.956 2.211 -10.442 1.00 0.00 C ATOM 1081 NH1 ARG A 66 114.645 2.099 -9.338 1.00 0.00 N ATOM 1082 NH2 ARG A 66 113.349 1.167 -10.938 1.00 0.00 N ATOM 0 H ARG A 66 119.010 3.959 -10.001 1.00 0.00 H new ATOM 0 HA ARG A 66 118.284 5.063 -12.671 1.00 0.00 H new ATOM 0 HB2 ARG A 66 117.198 5.455 -9.843 1.00 0.00 H new ATOM 0 HB3 ARG A 66 116.637 6.391 -11.214 1.00 0.00 H new ATOM 0 HG2 ARG A 66 116.033 4.261 -12.411 1.00 0.00 H new ATOM 0 HG3 ARG A 66 116.576 3.335 -11.025 1.00 0.00 H new ATOM 0 HD2 ARG A 66 114.893 4.517 -9.580 1.00 0.00 H new ATOM 0 HD3 ARG A 66 114.348 5.437 -10.969 1.00 0.00 H new ATOM 0 HE ARG A 66 113.194 3.497 -11.797 1.00 0.00 H new ATOM 0 HH11 ARG A 66 115.123 2.912 -8.950 1.00 0.00 H new ATOM 0 HH12 ARG A 66 114.705 1.198 -8.864 1.00 0.00 H new ATOM 0 HH21 ARG A 66 112.813 1.251 -11.802 1.00 0.00 H new ATOM 0 HH22 ARG A 66 113.411 0.267 -10.462 1.00 0.00 H new ATOM 1096 N GLY A 67 120.288 6.485 -10.610 1.00 0.00 N ATOM 1097 CA GLY A 67 121.153 7.697 -10.407 1.00 0.00 C ATOM 1098 C GLY A 67 121.269 8.040 -8.916 1.00 0.00 C ATOM 1099 O GLY A 67 122.202 8.700 -8.504 1.00 0.00 O ATOM 0 H GLY A 67 120.565 5.664 -10.071 1.00 0.00 H new ATOM 0 HA2 GLY A 67 122.145 7.515 -10.821 1.00 0.00 H new ATOM 0 HA3 GLY A 67 120.732 8.544 -10.948 1.00 0.00 H new ATOM 1103 N GLY A 68 120.344 7.604 -8.097 1.00 0.00 N ATOM 1104 CA GLY A 68 120.439 7.925 -6.636 1.00 0.00 C ATOM 1105 C GLY A 68 119.043 8.048 -6.022 1.00 0.00 C ATOM 1106 O GLY A 68 118.091 8.419 -6.682 1.00 0.00 O ATOM 0 H GLY A 68 119.535 7.046 -8.371 1.00 0.00 H new ATOM 0 HA2 GLY A 68 121.001 7.145 -6.122 1.00 0.00 H new ATOM 0 HA3 GLY A 68 120.987 8.857 -6.497 1.00 0.00 H new ATOM 1110 N LEU A 69 118.916 7.744 -4.755 1.00 0.00 N ATOM 1111 CA LEU A 69 117.586 7.850 -4.090 1.00 0.00 C ATOM 1112 C LEU A 69 117.082 9.291 -4.170 1.00 0.00 C ATOM 1113 O LEU A 69 115.937 9.540 -4.492 1.00 0.00 O ATOM 1114 CB LEU A 69 117.703 7.430 -2.619 1.00 0.00 C ATOM 1115 CG LEU A 69 116.369 7.669 -1.887 1.00 0.00 C ATOM 1116 CD1 LEU A 69 115.209 7.027 -2.666 1.00 0.00 C ATOM 1117 CD2 LEU A 69 116.444 7.040 -0.491 1.00 0.00 C ATOM 0 H LEU A 69 119.677 7.427 -4.154 1.00 0.00 H new ATOM 0 HA LEU A 69 116.882 7.191 -4.598 1.00 0.00 H new ATOM 0 HB2 LEU A 69 117.977 6.377 -2.555 1.00 0.00 H new ATOM 0 HB3 LEU A 69 118.498 7.996 -2.134 1.00 0.00 H new ATOM 0 HG LEU A 69 116.194 8.742 -1.809 1.00 0.00 H new ATOM 0 HD11 LEU A 69 114.273 7.204 -2.136 1.00 0.00 H new ATOM 0 HD12 LEU A 69 115.152 7.467 -3.662 1.00 0.00 H new ATOM 0 HD13 LEU A 69 115.379 5.954 -2.753 1.00 0.00 H new ATOM 0 HD21 LEU A 69 115.503 7.205 0.034 1.00 0.00 H new ATOM 0 HD22 LEU A 69 116.625 5.969 -0.584 1.00 0.00 H new ATOM 0 HD23 LEU A 69 117.258 7.498 0.071 1.00 0.00 H new ATOM 1129 N VAL A 70 117.919 10.247 -3.878 1.00 0.00 N ATOM 1130 CA VAL A 70 117.460 11.660 -3.941 1.00 0.00 C ATOM 1131 C VAL A 70 117.007 11.941 -5.372 1.00 0.00 C ATOM 1132 O VAL A 70 116.010 12.596 -5.599 1.00 0.00 O ATOM 1133 CB VAL A 70 118.607 12.608 -3.547 1.00 0.00 C ATOM 1134 CG1 VAL A 70 118.093 14.054 -3.538 1.00 0.00 C ATOM 1135 CG2 VAL A 70 119.146 12.235 -2.141 1.00 0.00 C ATOM 0 H VAL A 70 118.891 10.112 -3.601 1.00 0.00 H new ATOM 0 HA VAL A 70 116.636 11.824 -3.246 1.00 0.00 H new ATOM 0 HB VAL A 70 119.416 12.513 -4.272 1.00 0.00 H new ATOM 0 HG11 VAL A 70 118.904 14.727 -3.259 1.00 0.00 H new ATOM 0 HG12 VAL A 70 117.729 14.317 -4.531 1.00 0.00 H new ATOM 0 HG13 VAL A 70 117.281 14.147 -2.817 1.00 0.00 H new ATOM 0 HG21 VAL A 70 119.957 12.911 -1.871 1.00 0.00 H new ATOM 0 HG22 VAL A 70 118.343 12.321 -1.409 1.00 0.00 H new ATOM 0 HG23 VAL A 70 119.517 11.210 -2.154 1.00 0.00 H new ATOM 1145 N ASP A 71 117.720 11.435 -6.341 1.00 0.00 N ATOM 1146 CA ASP A 71 117.308 11.665 -7.753 1.00 0.00 C ATOM 1147 C ASP A 71 115.919 11.051 -7.962 1.00 0.00 C ATOM 1148 O ASP A 71 115.072 11.617 -8.624 1.00 0.00 O ATOM 1149 CB ASP A 71 118.321 10.997 -8.691 1.00 0.00 C ATOM 1150 CG ASP A 71 117.916 11.227 -10.150 1.00 0.00 C ATOM 1151 OD1 ASP A 71 116.731 11.356 -10.408 1.00 0.00 O ATOM 1152 OD2 ASP A 71 118.803 11.274 -10.987 1.00 0.00 O ATOM 0 H ASP A 71 118.564 10.876 -6.217 1.00 0.00 H new ATOM 0 HA ASP A 71 117.274 12.733 -7.969 1.00 0.00 H new ATOM 0 HB2 ASP A 71 119.317 11.404 -8.513 1.00 0.00 H new ATOM 0 HB3 ASP A 71 118.371 9.928 -8.483 1.00 0.00 H new ATOM 1157 N VAL A 72 115.679 9.898 -7.393 1.00 0.00 N ATOM 1158 CA VAL A 72 114.343 9.248 -7.547 1.00 0.00 C ATOM 1159 C VAL A 72 113.257 10.144 -6.943 1.00 0.00 C ATOM 1160 O VAL A 72 112.242 10.403 -7.555 1.00 0.00 O ATOM 1161 CB VAL A 72 114.358 7.891 -6.819 1.00 0.00 C ATOM 1162 CG1 VAL A 72 112.931 7.341 -6.682 1.00 0.00 C ATOM 1163 CG2 VAL A 72 115.208 6.899 -7.620 1.00 0.00 C ATOM 0 H VAL A 72 116.351 9.378 -6.828 1.00 0.00 H new ATOM 0 HA VAL A 72 114.130 9.097 -8.605 1.00 0.00 H new ATOM 0 HB VAL A 72 114.780 8.028 -5.823 1.00 0.00 H new ATOM 0 HG11 VAL A 72 112.959 6.382 -6.165 1.00 0.00 H new ATOM 0 HG12 VAL A 72 112.324 8.043 -6.111 1.00 0.00 H new ATOM 0 HG13 VAL A 72 112.496 7.207 -7.672 1.00 0.00 H new ATOM 0 HG21 VAL A 72 115.222 5.936 -7.109 1.00 0.00 H new ATOM 0 HG22 VAL A 72 114.781 6.775 -8.615 1.00 0.00 H new ATOM 0 HG23 VAL A 72 116.226 7.279 -7.706 1.00 0.00 H new ATOM 1173 N ILE A 73 113.456 10.594 -5.737 1.00 0.00 N ATOM 1174 CA ILE A 73 112.429 11.449 -5.074 1.00 0.00 C ATOM 1175 C ILE A 73 112.198 12.742 -5.863 1.00 0.00 C ATOM 1176 O ILE A 73 111.075 13.108 -6.149 1.00 0.00 O ATOM 1177 CB ILE A 73 112.917 11.791 -3.668 1.00 0.00 C ATOM 1178 CG1 ILE A 73 113.036 10.501 -2.850 1.00 0.00 C ATOM 1179 CG2 ILE A 73 111.922 12.742 -2.991 1.00 0.00 C ATOM 1180 CD1 ILE A 73 113.859 10.770 -1.592 1.00 0.00 C ATOM 0 H ILE A 73 114.288 10.407 -5.178 1.00 0.00 H new ATOM 0 HA ILE A 73 111.486 10.905 -5.031 1.00 0.00 H new ATOM 0 HB ILE A 73 113.890 12.278 -3.728 1.00 0.00 H new ATOM 0 HG12 ILE A 73 112.045 10.137 -2.578 1.00 0.00 H new ATOM 0 HG13 ILE A 73 113.509 9.721 -3.447 1.00 0.00 H new ATOM 0 HG21 ILE A 73 112.274 12.983 -1.988 1.00 0.00 H new ATOM 0 HG22 ILE A 73 111.838 13.658 -3.576 1.00 0.00 H new ATOM 0 HG23 ILE A 73 110.946 12.262 -2.927 1.00 0.00 H new ATOM 0 HD11 ILE A 73 113.944 9.853 -1.010 1.00 0.00 H new ATOM 0 HD12 ILE A 73 114.854 11.114 -1.875 1.00 0.00 H new ATOM 0 HD13 ILE A 73 113.367 11.536 -0.992 1.00 0.00 H new ATOM 1192 N ASN A 74 113.242 13.444 -6.211 1.00 0.00 N ATOM 1193 CA ASN A 74 113.059 14.715 -6.968 1.00 0.00 C ATOM 1194 C ASN A 74 112.349 14.435 -8.295 1.00 0.00 C ATOM 1195 O ASN A 74 111.431 15.133 -8.675 1.00 0.00 O ATOM 1196 CB ASN A 74 114.421 15.359 -7.231 1.00 0.00 C ATOM 1197 CG ASN A 74 114.228 16.662 -8.008 1.00 0.00 C ATOM 1198 OD1 ASN A 74 113.117 17.031 -8.329 1.00 0.00 O ATOM 1199 ND2 ASN A 74 115.272 17.381 -8.324 1.00 0.00 N ATOM 0 H ASN A 74 114.209 13.194 -6.005 1.00 0.00 H new ATOM 0 HA ASN A 74 112.448 15.398 -6.378 1.00 0.00 H new ATOM 0 HB2 ASN A 74 114.929 15.558 -6.288 1.00 0.00 H new ATOM 0 HB3 ASN A 74 115.055 14.676 -7.797 1.00 0.00 H new ATOM 0 HD21 ASN A 74 115.154 18.253 -8.840 1.00 0.00 H new ATOM 0 HD22 ASN A 74 116.205 17.071 -8.054 1.00 0.00 H new ATOM 1206 N LYS A 75 112.762 13.416 -9.000 1.00 0.00 N ATOM 1207 CA LYS A 75 112.105 13.091 -10.302 1.00 0.00 C ATOM 1208 C LYS A 75 110.901 12.185 -10.038 1.00 0.00 C ATOM 1209 O LYS A 75 110.154 11.851 -10.936 1.00 0.00 O ATOM 1210 CB LYS A 75 113.097 12.361 -11.215 1.00 0.00 C ATOM 1211 CG LYS A 75 114.254 13.296 -11.604 1.00 0.00 C ATOM 1212 CD LYS A 75 113.829 14.236 -12.742 1.00 0.00 C ATOM 1213 CE LYS A 75 115.058 14.974 -13.274 1.00 0.00 C ATOM 1214 NZ LYS A 75 116.074 13.984 -13.731 1.00 0.00 N ATOM 0 H LYS A 75 113.525 12.794 -8.732 1.00 0.00 H new ATOM 0 HA LYS A 75 111.781 14.012 -10.787 1.00 0.00 H new ATOM 0 HB2 LYS A 75 113.488 11.480 -10.707 1.00 0.00 H new ATOM 0 HB3 LYS A 75 112.586 12.011 -12.112 1.00 0.00 H new ATOM 0 HG2 LYS A 75 114.563 13.881 -10.738 1.00 0.00 H new ATOM 0 HG3 LYS A 75 115.117 12.707 -11.915 1.00 0.00 H new ATOM 0 HD2 LYS A 75 113.358 13.666 -13.543 1.00 0.00 H new ATOM 0 HD3 LYS A 75 113.089 14.951 -12.382 1.00 0.00 H new ATOM 0 HE2 LYS A 75 114.774 15.627 -14.099 1.00 0.00 H new ATOM 0 HE3 LYS A 75 115.479 15.610 -12.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 116.698 14.427 -14.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 116.640 13.667 -12.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 115.594 13.166 -14.158 1.00 0.00 H new ATOM 1228 N LYS A 76 110.710 11.785 -8.811 1.00 0.00 N ATOM 1229 CA LYS A 76 109.559 10.899 -8.485 1.00 0.00 C ATOM 1230 C LYS A 76 109.568 9.689 -9.424 1.00 0.00 C ATOM 1231 O LYS A 76 108.655 9.487 -10.199 1.00 0.00 O ATOM 1232 CB LYS A 76 108.248 11.671 -8.664 1.00 0.00 C ATOM 1233 CG LYS A 76 107.088 10.850 -8.092 1.00 0.00 C ATOM 1234 CD LYS A 76 105.753 11.487 -8.493 1.00 0.00 C ATOM 1235 CE LYS A 76 105.598 12.863 -7.833 1.00 0.00 C ATOM 1236 NZ LYS A 76 106.322 13.885 -8.640 1.00 0.00 N ATOM 0 H LYS A 76 111.303 12.034 -8.019 1.00 0.00 H new ATOM 0 HA LYS A 76 109.643 10.562 -7.452 1.00 0.00 H new ATOM 0 HB2 LYS A 76 108.309 12.635 -8.158 1.00 0.00 H new ATOM 0 HB3 LYS A 76 108.076 11.876 -9.721 1.00 0.00 H new ATOM 0 HG2 LYS A 76 107.138 9.826 -8.462 1.00 0.00 H new ATOM 0 HG3 LYS A 76 107.166 10.801 -7.006 1.00 0.00 H new ATOM 0 HD2 LYS A 76 105.702 11.589 -9.577 1.00 0.00 H new ATOM 0 HD3 LYS A 76 104.929 10.839 -8.195 1.00 0.00 H new ATOM 0 HE2 LYS A 76 104.543 13.125 -7.757 1.00 0.00 H new ATOM 0 HE3 LYS A 76 105.994 12.838 -6.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 107.090 14.296 -8.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 106.721 13.437 -9.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 105.661 14.636 -8.923 1.00 0.00 H new ATOM 1250 N LEU A 77 110.597 8.882 -9.364 1.00 0.00 N ATOM 1251 CA LEU A 77 110.668 7.681 -10.254 1.00 0.00 C ATOM 1252 C LEU A 77 110.178 6.452 -9.487 1.00 0.00 C ATOM 1253 O LEU A 77 110.335 5.331 -9.931 1.00 0.00 O ATOM 1254 CB LEU A 77 112.112 7.456 -10.719 1.00 0.00 C ATOM 1255 CG LEU A 77 112.533 8.565 -11.695 1.00 0.00 C ATOM 1256 CD1 LEU A 77 114.040 8.460 -11.947 1.00 0.00 C ATOM 1257 CD2 LEU A 77 111.772 8.429 -13.033 1.00 0.00 C ATOM 0 H LEU A 77 111.392 9.002 -8.737 1.00 0.00 H new ATOM 0 HA LEU A 77 110.036 7.844 -11.127 1.00 0.00 H new ATOM 0 HB2 LEU A 77 112.781 7.445 -9.859 1.00 0.00 H new ATOM 0 HB3 LEU A 77 112.199 6.483 -11.203 1.00 0.00 H new ATOM 0 HG LEU A 77 112.293 9.535 -11.259 1.00 0.00 H new ATOM 0 HD11 LEU A 77 114.349 9.244 -12.639 1.00 0.00 H new ATOM 0 HD12 LEU A 77 114.575 8.577 -11.005 1.00 0.00 H new ATOM 0 HD13 LEU A 77 114.270 7.485 -12.377 1.00 0.00 H new ATOM 0 HD21 LEU A 77 112.084 9.223 -13.711 1.00 0.00 H new ATOM 0 HD22 LEU A 77 111.995 7.461 -13.481 1.00 0.00 H new ATOM 0 HD23 LEU A 77 110.700 8.507 -12.851 1.00 0.00 H new ATOM 1269 N TRP A 78 109.564 6.646 -8.346 1.00 0.00 N ATOM 1270 CA TRP A 78 109.050 5.477 -7.576 1.00 0.00 C ATOM 1271 C TRP A 78 108.167 4.657 -8.515 1.00 0.00 C ATOM 1272 O TRP A 78 107.996 3.465 -8.352 1.00 0.00 O ATOM 1273 CB TRP A 78 108.202 5.963 -6.394 1.00 0.00 C ATOM 1274 CG TRP A 78 109.068 6.614 -5.358 1.00 0.00 C ATOM 1275 CD1 TRP A 78 109.118 7.945 -5.116 1.00 0.00 C ATOM 1276 CD2 TRP A 78 109.992 5.994 -4.413 1.00 0.00 C ATOM 1277 NE1 TRP A 78 110.010 8.181 -4.086 1.00 0.00 N ATOM 1278 CE2 TRP A 78 110.576 7.012 -3.621 1.00 0.00 C ATOM 1279 CE3 TRP A 78 110.378 4.663 -4.169 1.00 0.00 C ATOM 1280 CZ2 TRP A 78 111.507 6.721 -2.622 1.00 0.00 C ATOM 1281 CZ3 TRP A 78 111.315 4.367 -3.164 1.00 0.00 C ATOM 1282 CH2 TRP A 78 111.879 5.394 -2.392 1.00 0.00 C ATOM 0 H TRP A 78 109.398 7.557 -7.919 1.00 0.00 H new ATOM 0 HA TRP A 78 109.880 4.882 -7.196 1.00 0.00 H new ATOM 0 HB2 TRP A 78 107.450 6.670 -6.745 1.00 0.00 H new ATOM 0 HB3 TRP A 78 107.667 5.122 -5.953 1.00 0.00 H new ATOM 0 HD1 TRP A 78 108.553 8.700 -5.642 1.00 0.00 H new ATOM 0 HE1 TRP A 78 110.224 9.107 -3.715 1.00 0.00 H new ATOM 0 HE3 TRP A 78 109.952 3.864 -4.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 111.937 7.516 -2.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 111.603 3.342 -2.985 1.00 0.00 H new ATOM 0 HH2 TRP A 78 112.599 5.159 -1.622 1.00 0.00 H new ATOM 1293 N GLN A 79 107.618 5.299 -9.512 1.00 0.00 N ATOM 1294 CA GLN A 79 106.758 4.581 -10.489 1.00 0.00 C ATOM 1295 C GLN A 79 107.573 3.483 -11.168 1.00 0.00 C ATOM 1296 O GLN A 79 107.068 2.420 -11.471 1.00 0.00 O ATOM 1297 CB GLN A 79 106.243 5.562 -11.546 1.00 0.00 C ATOM 1298 CG GLN A 79 105.217 6.505 -10.917 1.00 0.00 C ATOM 1299 CD GLN A 79 103.945 5.719 -10.590 1.00 0.00 C ATOM 1300 OE1 GLN A 79 103.436 5.792 -9.489 1.00 0.00 O ATOM 1301 NE2 GLN A 79 103.414 4.954 -11.504 1.00 0.00 N ATOM 0 H GLN A 79 107.731 6.297 -9.690 1.00 0.00 H new ATOM 0 HA GLN A 79 105.910 4.139 -9.967 1.00 0.00 H new ATOM 0 HB2 GLN A 79 107.073 6.135 -11.959 1.00 0.00 H new ATOM 0 HB3 GLN A 79 105.790 5.016 -12.373 1.00 0.00 H new ATOM 0 HG2 GLN A 79 105.625 6.953 -10.011 1.00 0.00 H new ATOM 0 HG3 GLN A 79 104.988 7.322 -11.602 1.00 0.00 H new ATOM 0 HE21 GLN A 79 103.841 4.892 -12.428 1.00 0.00 H new ATOM 0 HE22 GLN A 79 102.572 4.418 -11.294 1.00 0.00 H new ATOM 1310 N GLU A 80 108.829 3.731 -11.419 1.00 0.00 N ATOM 1311 CA GLU A 80 109.666 2.700 -12.087 1.00 0.00 C ATOM 1312 C GLU A 80 109.690 1.444 -11.213 1.00 0.00 C ATOM 1313 O GLU A 80 109.472 0.346 -11.684 1.00 0.00 O ATOM 1314 CB GLU A 80 111.092 3.232 -12.250 1.00 0.00 C ATOM 1315 CG GLU A 80 111.093 4.409 -13.231 1.00 0.00 C ATOM 1316 CD GLU A 80 110.748 3.909 -14.634 1.00 0.00 C ATOM 1317 OE1 GLU A 80 111.480 3.075 -15.141 1.00 0.00 O ATOM 1318 OE2 GLU A 80 109.761 4.374 -15.180 1.00 0.00 O ATOM 0 H GLU A 80 109.309 4.601 -11.190 1.00 0.00 H new ATOM 0 HA GLU A 80 109.254 2.463 -13.068 1.00 0.00 H new ATOM 0 HB2 GLU A 80 111.485 3.550 -11.284 1.00 0.00 H new ATOM 0 HB3 GLU A 80 111.747 2.441 -12.615 1.00 0.00 H new ATOM 0 HG2 GLU A 80 110.370 5.160 -12.914 1.00 0.00 H new ATOM 0 HG3 GLU A 80 112.071 4.890 -13.236 1.00 0.00 H new ATOM 1325 N ILE A 81 109.926 1.600 -9.939 1.00 0.00 N ATOM 1326 CA ILE A 81 109.933 0.418 -9.034 1.00 0.00 C ATOM 1327 C ILE A 81 108.531 -0.197 -9.022 1.00 0.00 C ATOM 1328 O ILE A 81 108.360 -1.395 -9.190 1.00 0.00 O ATOM 1329 CB ILE A 81 110.348 0.873 -7.628 1.00 0.00 C ATOM 1330 CG1 ILE A 81 111.835 1.258 -7.639 1.00 0.00 C ATOM 1331 CG2 ILE A 81 110.118 -0.260 -6.627 1.00 0.00 C ATOM 1332 CD1 ILE A 81 112.170 2.060 -6.382 1.00 0.00 C ATOM 0 H ILE A 81 110.114 2.495 -9.487 1.00 0.00 H new ATOM 0 HA ILE A 81 110.643 -0.334 -9.379 1.00 0.00 H new ATOM 0 HB ILE A 81 109.749 1.735 -7.334 1.00 0.00 H new ATOM 0 HG12 ILE A 81 112.452 0.361 -7.685 1.00 0.00 H new ATOM 0 HG13 ILE A 81 112.061 1.846 -8.528 1.00 0.00 H new ATOM 0 HG21 ILE A 81 110.414 0.069 -5.631 1.00 0.00 H new ATOM 0 HG22 ILE A 81 109.062 -0.531 -6.621 1.00 0.00 H new ATOM 0 HG23 ILE A 81 110.713 -1.126 -6.915 1.00 0.00 H new ATOM 0 HD11 ILE A 81 113.226 2.331 -6.394 1.00 0.00 H new ATOM 0 HD12 ILE A 81 111.563 2.965 -6.355 1.00 0.00 H new ATOM 0 HD13 ILE A 81 111.960 1.457 -5.499 1.00 0.00 H new ATOM 1344 N ILE A 82 107.515 0.610 -8.871 1.00 0.00 N ATOM 1345 CA ILE A 82 106.142 0.050 -8.894 1.00 0.00 C ATOM 1346 C ILE A 82 105.969 -0.610 -10.257 1.00 0.00 C ATOM 1347 O ILE A 82 105.442 -1.698 -10.374 1.00 0.00 O ATOM 1348 CB ILE A 82 105.120 1.173 -8.692 1.00 0.00 C ATOM 1349 CG1 ILE A 82 105.226 1.681 -7.247 1.00 0.00 C ATOM 1350 CG2 ILE A 82 103.702 0.646 -8.939 1.00 0.00 C ATOM 1351 CD1 ILE A 82 104.427 2.980 -7.075 1.00 0.00 C ATOM 0 H ILE A 82 107.579 1.619 -8.735 1.00 0.00 H new ATOM 0 HA ILE A 82 105.987 -0.675 -8.095 1.00 0.00 H new ATOM 0 HB ILE A 82 105.325 1.981 -9.394 1.00 0.00 H new ATOM 0 HG12 ILE A 82 104.851 0.922 -6.560 1.00 0.00 H new ATOM 0 HG13 ILE A 82 106.271 1.853 -6.991 1.00 0.00 H new ATOM 0 HG21 ILE A 82 102.983 1.452 -8.793 1.00 0.00 H new ATOM 0 HG22 ILE A 82 103.625 0.273 -9.960 1.00 0.00 H new ATOM 0 HG23 ILE A 82 103.487 -0.162 -8.240 1.00 0.00 H new ATOM 0 HD11 ILE A 82 104.513 3.326 -6.045 1.00 0.00 H new ATOM 0 HD12 ILE A 82 104.821 3.741 -7.748 1.00 0.00 H new ATOM 0 HD13 ILE A 82 103.379 2.796 -7.310 1.00 0.00 H new ATOM 1537 N ALA A 95 105.531 2.817 -2.877 1.00 0.00 N ATOM 1538 CA ALA A 95 106.293 4.096 -2.927 1.00 0.00 C ATOM 1539 C ALA A 95 106.327 4.728 -1.535 1.00 0.00 C ATOM 1540 O ALA A 95 107.380 5.010 -0.998 1.00 0.00 O ATOM 1541 CB ALA A 95 105.613 5.058 -3.903 1.00 0.00 C ATOM 0 HA ALA A 95 107.311 3.896 -3.261 1.00 0.00 H new ATOM 0 HB1 ALA A 95 106.171 5.994 -3.939 1.00 0.00 H new ATOM 0 HB2 ALA A 95 105.589 4.611 -4.897 1.00 0.00 H new ATOM 0 HB3 ALA A 95 104.594 5.255 -3.569 1.00 0.00 H new ATOM 1547 N PHE A 96 105.189 4.957 -0.947 1.00 0.00 N ATOM 1548 CA PHE A 96 105.167 5.575 0.411 1.00 0.00 C ATOM 1549 C PHE A 96 105.843 4.645 1.429 1.00 0.00 C ATOM 1550 O PHE A 96 106.589 5.081 2.285 1.00 0.00 O ATOM 1551 CB PHE A 96 103.718 5.818 0.839 1.00 0.00 C ATOM 1552 CG PHE A 96 103.706 6.525 2.174 1.00 0.00 C ATOM 1553 CD1 PHE A 96 103.728 5.785 3.364 1.00 0.00 C ATOM 1554 CD2 PHE A 96 103.678 7.923 2.220 1.00 0.00 C ATOM 1555 CE1 PHE A 96 103.722 6.446 4.599 1.00 0.00 C ATOM 1556 CE2 PHE A 96 103.671 8.584 3.454 1.00 0.00 C ATOM 1557 CZ PHE A 96 103.693 7.846 4.644 1.00 0.00 C ATOM 0 H PHE A 96 104.274 4.745 -1.344 1.00 0.00 H new ATOM 0 HA PHE A 96 105.707 6.521 0.375 1.00 0.00 H new ATOM 0 HB2 PHE A 96 103.201 6.419 0.091 1.00 0.00 H new ATOM 0 HB3 PHE A 96 103.184 4.871 0.911 1.00 0.00 H new ATOM 0 HD1 PHE A 96 103.750 4.706 3.329 1.00 0.00 H new ATOM 0 HD2 PHE A 96 103.662 8.493 1.303 1.00 0.00 H new ATOM 0 HE1 PHE A 96 103.740 5.876 5.516 1.00 0.00 H new ATOM 0 HE2 PHE A 96 103.649 9.663 3.488 1.00 0.00 H new ATOM 0 HZ PHE A 96 103.688 8.356 5.596 1.00 0.00 H new ATOM 1567 N THR A 97 105.566 3.371 1.366 1.00 0.00 N ATOM 1568 CA THR A 97 106.180 2.427 2.349 1.00 0.00 C ATOM 1569 C THR A 97 107.691 2.310 2.114 1.00 0.00 C ATOM 1570 O THR A 97 108.466 2.231 3.044 1.00 0.00 O ATOM 1571 CB THR A 97 105.540 1.043 2.194 1.00 0.00 C ATOM 1572 OG1 THR A 97 104.144 1.136 2.437 1.00 0.00 O ATOM 1573 CG2 THR A 97 106.170 0.071 3.195 1.00 0.00 C ATOM 0 H THR A 97 104.944 2.942 0.680 1.00 0.00 H new ATOM 0 HA THR A 97 106.007 2.810 3.355 1.00 0.00 H new ATOM 0 HB THR A 97 105.708 0.678 1.181 1.00 0.00 H new ATOM 0 HG1 THR A 97 103.735 0.251 2.336 1.00 0.00 H new ATOM 0 HG21 THR A 97 105.714 -0.913 3.083 1.00 0.00 H new ATOM 0 HG22 THR A 97 107.241 -0.002 3.006 1.00 0.00 H new ATOM 0 HG23 THR A 97 106.004 0.435 4.209 1.00 0.00 H new ATOM 1581 N LEU A 98 108.118 2.266 0.883 1.00 0.00 N ATOM 1582 CA LEU A 98 109.579 2.121 0.610 1.00 0.00 C ATOM 1583 C LEU A 98 110.362 3.349 1.094 1.00 0.00 C ATOM 1584 O LEU A 98 111.395 3.222 1.720 1.00 0.00 O ATOM 1585 CB LEU A 98 109.806 1.937 -0.894 1.00 0.00 C ATOM 1586 CG LEU A 98 109.292 0.559 -1.344 1.00 0.00 C ATOM 1587 CD1 LEU A 98 109.337 0.483 -2.876 1.00 0.00 C ATOM 1588 CD2 LEU A 98 110.160 -0.567 -0.737 1.00 0.00 C ATOM 0 H LEU A 98 107.523 2.324 0.056 1.00 0.00 H new ATOM 0 HA LEU A 98 109.939 1.247 1.154 1.00 0.00 H new ATOM 0 HB2 LEU A 98 109.291 2.723 -1.446 1.00 0.00 H new ATOM 0 HB3 LEU A 98 110.868 2.030 -1.123 1.00 0.00 H new ATOM 0 HG LEU A 98 108.267 0.428 -0.997 1.00 0.00 H new ATOM 0 HD11 LEU A 98 108.974 -0.491 -3.203 1.00 0.00 H new ATOM 0 HD12 LEU A 98 108.706 1.265 -3.298 1.00 0.00 H new ATOM 0 HD13 LEU A 98 110.363 0.621 -3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 98 109.782 -1.535 -1.066 1.00 0.00 H new ATOM 0 HD22 LEU A 98 111.192 -0.449 -1.067 1.00 0.00 H new ATOM 0 HD23 LEU A 98 110.119 -0.512 0.351 1.00 0.00 H new ATOM 1600 N ARG A 99 109.905 4.534 0.791 1.00 0.00 N ATOM 1601 CA ARG A 99 110.661 5.750 1.220 1.00 0.00 C ATOM 1602 C ARG A 99 110.800 5.816 2.748 1.00 0.00 C ATOM 1603 O ARG A 99 111.796 6.289 3.258 1.00 0.00 O ATOM 1604 CB ARG A 99 109.971 7.018 0.696 1.00 0.00 C ATOM 1605 CG ARG A 99 108.559 7.135 1.267 1.00 0.00 C ATOM 1606 CD ARG A 99 107.932 8.451 0.803 1.00 0.00 C ATOM 1607 NE ARG A 99 107.707 8.398 -0.668 1.00 0.00 N ATOM 1608 CZ ARG A 99 106.887 9.240 -1.236 1.00 0.00 C ATOM 1609 NH1 ARG A 99 106.944 10.510 -0.940 1.00 0.00 N ATOM 1610 NH2 ARG A 99 106.010 8.809 -2.101 1.00 0.00 N ATOM 0 H ARG A 99 109.047 4.714 0.269 1.00 0.00 H new ATOM 0 HA ARG A 99 111.663 5.686 0.795 1.00 0.00 H new ATOM 0 HB2 ARG A 99 110.555 7.897 0.971 1.00 0.00 H new ATOM 0 HB3 ARG A 99 109.928 6.992 -0.393 1.00 0.00 H new ATOM 0 HG2 ARG A 99 107.950 6.293 0.937 1.00 0.00 H new ATOM 0 HG3 ARG A 99 108.591 7.098 2.356 1.00 0.00 H new ATOM 0 HD2 ARG A 99 106.988 8.620 1.321 1.00 0.00 H new ATOM 0 HD3 ARG A 99 108.586 9.286 1.052 1.00 0.00 H new ATOM 0 HE ARG A 99 108.194 7.703 -1.233 1.00 0.00 H new ATOM 0 HH11 ARG A 99 107.630 10.846 -0.264 1.00 0.00 H new ATOM 0 HH12 ARG A 99 106.303 11.167 -1.385 1.00 0.00 H new ATOM 0 HH21 ARG A 99 105.966 7.816 -2.332 1.00 0.00 H new ATOM 0 HH22 ARG A 99 105.368 9.465 -2.546 1.00 0.00 H new ATOM 1624 N THR A 100 109.813 5.381 3.490 1.00 0.00 N ATOM 1625 CA THR A 100 109.927 5.474 4.980 1.00 0.00 C ATOM 1626 C THR A 100 110.870 4.388 5.531 1.00 0.00 C ATOM 1627 O THR A 100 111.739 4.668 6.332 1.00 0.00 O ATOM 1628 CB THR A 100 108.523 5.373 5.619 1.00 0.00 C ATOM 1629 OG1 THR A 100 108.497 6.149 6.808 1.00 0.00 O ATOM 1630 CG2 THR A 100 108.153 3.922 5.955 1.00 0.00 C ATOM 0 H THR A 100 108.947 4.972 3.138 1.00 0.00 H new ATOM 0 HA THR A 100 110.359 6.440 5.240 1.00 0.00 H new ATOM 0 HB THR A 100 107.796 5.747 4.898 1.00 0.00 H new ATOM 0 HG1 THR A 100 107.609 6.091 7.217 1.00 0.00 H new ATOM 0 HG21 THR A 100 107.159 3.894 6.402 1.00 0.00 H new ATOM 0 HG22 THR A 100 108.157 3.325 5.043 1.00 0.00 H new ATOM 0 HG23 THR A 100 108.879 3.515 6.659 1.00 0.00 H new ATOM 1638 N GLN A 101 110.708 3.154 5.124 1.00 0.00 N ATOM 1639 CA GLN A 101 111.603 2.082 5.653 1.00 0.00 C ATOM 1640 C GLN A 101 113.029 2.320 5.163 1.00 0.00 C ATOM 1641 O GLN A 101 113.987 2.168 5.898 1.00 0.00 O ATOM 1642 CB GLN A 101 111.124 0.718 5.150 1.00 0.00 C ATOM 1643 CG GLN A 101 109.802 0.350 5.826 1.00 0.00 C ATOM 1644 CD GLN A 101 109.335 -1.015 5.314 1.00 0.00 C ATOM 1645 OE1 GLN A 101 108.464 -1.629 5.897 1.00 0.00 O ATOM 1646 NE2 GLN A 101 109.882 -1.518 4.241 1.00 0.00 N ATOM 0 H GLN A 101 110.002 2.845 4.455 1.00 0.00 H new ATOM 0 HA GLN A 101 111.579 2.101 6.743 1.00 0.00 H new ATOM 0 HB2 GLN A 101 110.994 0.744 4.068 1.00 0.00 H new ATOM 0 HB3 GLN A 101 111.875 -0.042 5.363 1.00 0.00 H new ATOM 0 HG2 GLN A 101 109.929 0.321 6.908 1.00 0.00 H new ATOM 0 HG3 GLN A 101 109.048 1.108 5.614 1.00 0.00 H new ATOM 0 HE21 GLN A 101 110.613 -1.002 3.752 1.00 0.00 H new ATOM 0 HE22 GLN A 101 109.578 -2.427 3.892 1.00 0.00 H new ATOM 1655 N TYR A 102 113.175 2.696 3.926 1.00 0.00 N ATOM 1656 CA TYR A 102 114.530 2.948 3.380 1.00 0.00 C ATOM 1657 C TYR A 102 115.188 4.061 4.197 1.00 0.00 C ATOM 1658 O TYR A 102 116.305 3.945 4.660 1.00 0.00 O ATOM 1659 CB TYR A 102 114.391 3.391 1.921 1.00 0.00 C ATOM 1660 CG TYR A 102 115.742 3.412 1.244 1.00 0.00 C ATOM 1661 CD1 TYR A 102 116.643 4.451 1.502 1.00 0.00 C ATOM 1662 CD2 TYR A 102 116.088 2.392 0.348 1.00 0.00 C ATOM 1663 CE1 TYR A 102 117.889 4.469 0.862 1.00 0.00 C ATOM 1664 CE2 TYR A 102 117.332 2.413 -0.292 1.00 0.00 C ATOM 1665 CZ TYR A 102 118.232 3.453 -0.035 1.00 0.00 C ATOM 1666 OH TYR A 102 119.456 3.477 -0.667 1.00 0.00 O ATOM 0 H TYR A 102 112.409 2.840 3.268 1.00 0.00 H new ATOM 0 HA TYR A 102 115.141 2.047 3.434 1.00 0.00 H new ATOM 0 HB2 TYR A 102 113.722 2.713 1.391 1.00 0.00 H new ATOM 0 HB3 TYR A 102 113.940 4.382 1.877 1.00 0.00 H new ATOM 0 HD1 TYR A 102 116.378 5.238 2.193 1.00 0.00 H new ATOM 0 HD2 TYR A 102 115.394 1.589 0.151 1.00 0.00 H new ATOM 0 HE1 TYR A 102 118.586 5.269 1.062 1.00 0.00 H new ATOM 0 HE2 TYR A 102 117.597 1.627 -0.984 1.00 0.00 H new ATOM 0 HH TYR A 102 119.535 4.298 -1.197 1.00 0.00 H new ATOM 1676 N MET A 103 114.492 5.144 4.379 1.00 0.00 N ATOM 1677 CA MET A 103 115.057 6.276 5.159 1.00 0.00 C ATOM 1678 C MET A 103 115.323 5.852 6.601 1.00 0.00 C ATOM 1679 O MET A 103 116.210 6.367 7.252 1.00 0.00 O ATOM 1680 CB MET A 103 114.074 7.447 5.142 1.00 0.00 C ATOM 1681 CG MET A 103 114.756 8.686 5.726 1.00 0.00 C ATOM 1682 SD MET A 103 113.601 10.084 5.711 1.00 0.00 S ATOM 1683 CE MET A 103 113.651 10.433 3.933 1.00 0.00 C ATOM 0 H MET A 103 113.550 5.295 4.019 1.00 0.00 H new ATOM 0 HA MET A 103 116.000 6.580 4.705 1.00 0.00 H new ATOM 0 HB2 MET A 103 113.744 7.646 4.122 1.00 0.00 H new ATOM 0 HB3 MET A 103 113.185 7.199 5.722 1.00 0.00 H new ATOM 0 HG2 MET A 103 115.086 8.485 6.745 1.00 0.00 H new ATOM 0 HG3 MET A 103 115.646 8.931 5.146 1.00 0.00 H new ATOM 0 HE1 MET A 103 113.304 11.450 3.752 1.00 0.00 H new ATOM 0 HE2 MET A 103 114.674 10.328 3.570 1.00 0.00 H new ATOM 0 HE3 MET A 103 113.005 9.730 3.406 1.00 0.00 H new ATOM 1693 N LYS A 104 114.545 4.948 7.121 1.00 0.00 N ATOM 1694 CA LYS A 104 114.744 4.536 8.536 1.00 0.00 C ATOM 1695 C LYS A 104 116.159 3.954 8.738 1.00 0.00 C ATOM 1696 O LYS A 104 116.784 4.214 9.747 1.00 0.00 O ATOM 1697 CB LYS A 104 113.673 3.502 8.917 1.00 0.00 C ATOM 1698 CG LYS A 104 113.507 3.458 10.444 1.00 0.00 C ATOM 1699 CD LYS A 104 112.397 2.460 10.830 1.00 0.00 C ATOM 1700 CE LYS A 104 111.020 3.134 10.756 1.00 0.00 C ATOM 1701 NZ LYS A 104 109.963 2.131 11.070 1.00 0.00 N ATOM 0 H LYS A 104 113.784 4.478 6.631 1.00 0.00 H new ATOM 0 HA LYS A 104 114.647 5.408 9.182 1.00 0.00 H new ATOM 0 HB2 LYS A 104 112.724 3.759 8.447 1.00 0.00 H new ATOM 0 HB3 LYS A 104 113.957 2.518 8.545 1.00 0.00 H new ATOM 0 HG2 LYS A 104 114.447 3.166 10.911 1.00 0.00 H new ATOM 0 HG3 LYS A 104 113.260 4.451 10.819 1.00 0.00 H new ATOM 0 HD2 LYS A 104 112.424 1.600 10.161 1.00 0.00 H new ATOM 0 HD3 LYS A 104 112.571 2.085 11.838 1.00 0.00 H new ATOM 0 HE2 LYS A 104 110.970 3.964 11.461 1.00 0.00 H new ATOM 0 HE3 LYS A 104 110.859 3.550 9.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 109.028 2.585 11.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 110.007 1.353 10.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 110.115 1.755 12.028 1.00 0.00 H new ATOM 1715 N TYR A 105 116.679 3.169 7.807 1.00 0.00 N ATOM 1716 CA TYR A 105 118.064 2.591 8.002 1.00 0.00 C ATOM 1717 C TYR A 105 118.904 2.609 6.713 1.00 0.00 C ATOM 1718 O TYR A 105 120.068 2.260 6.752 1.00 0.00 O ATOM 1719 CB TYR A 105 117.962 1.132 8.450 1.00 0.00 C ATOM 1720 CG TYR A 105 117.290 1.035 9.793 1.00 0.00 C ATOM 1721 CD1 TYR A 105 118.041 1.170 10.967 1.00 0.00 C ATOM 1722 CD2 TYR A 105 115.915 0.804 9.863 1.00 0.00 C ATOM 1723 CE1 TYR A 105 117.409 1.075 12.213 1.00 0.00 C ATOM 1724 CE2 TYR A 105 115.283 0.709 11.103 1.00 0.00 C ATOM 1725 CZ TYR A 105 116.029 0.845 12.282 1.00 0.00 C ATOM 1726 OH TYR A 105 115.405 0.751 13.508 1.00 0.00 O ATOM 0 H TYR A 105 116.215 2.907 6.937 1.00 0.00 H new ATOM 0 HA TYR A 105 118.550 3.215 8.752 1.00 0.00 H new ATOM 0 HB2 TYR A 105 117.399 0.559 7.714 1.00 0.00 H new ATOM 0 HB3 TYR A 105 118.958 0.692 8.503 1.00 0.00 H new ATOM 0 HD1 TYR A 105 119.105 1.347 10.912 1.00 0.00 H new ATOM 0 HD2 TYR A 105 115.339 0.699 8.955 1.00 0.00 H new ATOM 0 HE1 TYR A 105 117.985 1.179 13.120 1.00 0.00 H new ATOM 0 HE2 TYR A 105 114.219 0.531 11.155 1.00 0.00 H new ATOM 0 HH TYR A 105 114.471 1.034 13.422 1.00 0.00 H new ATOM 1736 N LEU A 106 118.350 2.956 5.569 1.00 0.00 N ATOM 1737 CA LEU A 106 119.171 2.916 4.299 1.00 0.00 C ATOM 1738 C LEU A 106 119.553 4.319 3.801 1.00 0.00 C ATOM 1739 O LEU A 106 120.417 4.447 2.957 1.00 0.00 O ATOM 1740 CB LEU A 106 118.376 2.181 3.206 1.00 0.00 C ATOM 1741 CG LEU A 106 118.364 0.659 3.503 1.00 0.00 C ATOM 1742 CD1 LEU A 106 117.248 -0.063 2.693 1.00 0.00 C ATOM 1743 CD2 LEU A 106 119.743 0.043 3.160 1.00 0.00 C ATOM 0 H LEU A 106 117.383 3.260 5.455 1.00 0.00 H new ATOM 0 HA LEU A 106 120.098 2.388 4.522 1.00 0.00 H new ATOM 0 HB2 LEU A 106 117.355 2.562 3.167 1.00 0.00 H new ATOM 0 HB3 LEU A 106 118.823 2.367 2.230 1.00 0.00 H new ATOM 0 HG LEU A 106 118.158 0.523 4.565 1.00 0.00 H new ATOM 0 HD11 LEU A 106 117.264 -1.129 2.922 1.00 0.00 H new ATOM 0 HD12 LEU A 106 116.277 0.352 2.963 1.00 0.00 H new ATOM 0 HD13 LEU A 106 117.421 0.082 1.627 1.00 0.00 H new ATOM 0 HD21 LEU A 106 119.727 -1.026 3.371 1.00 0.00 H new ATOM 0 HD22 LEU A 106 119.959 0.201 2.103 1.00 0.00 H new ATOM 0 HD23 LEU A 106 120.515 0.520 3.764 1.00 0.00 H new ATOM 1755 N TYR A 107 118.956 5.376 4.289 1.00 0.00 N ATOM 1756 CA TYR A 107 119.370 6.720 3.778 1.00 0.00 C ATOM 1757 C TYR A 107 120.781 7.073 4.291 1.00 0.00 C ATOM 1758 O TYR A 107 121.557 7.662 3.564 1.00 0.00 O ATOM 1759 CB TYR A 107 118.344 7.812 4.151 1.00 0.00 C ATOM 1760 CG TYR A 107 118.965 9.183 3.997 1.00 0.00 C ATOM 1761 CD1 TYR A 107 119.117 9.734 2.720 1.00 0.00 C ATOM 1762 CD2 TYR A 107 119.389 9.898 5.125 1.00 0.00 C ATOM 1763 CE1 TYR A 107 119.692 11.000 2.568 1.00 0.00 C ATOM 1764 CE2 TYR A 107 119.965 11.166 4.972 1.00 0.00 C ATOM 1765 CZ TYR A 107 120.116 11.717 3.693 1.00 0.00 C ATOM 1766 OH TYR A 107 120.683 12.966 3.540 1.00 0.00 O ATOM 0 H TYR A 107 118.222 5.372 4.997 1.00 0.00 H new ATOM 0 HA TYR A 107 119.401 6.675 2.689 1.00 0.00 H new ATOM 0 HB2 TYR A 107 117.464 7.729 3.513 1.00 0.00 H new ATOM 0 HB3 TYR A 107 118.007 7.670 5.178 1.00 0.00 H new ATOM 0 HD1 TYR A 107 118.790 9.182 1.851 1.00 0.00 H new ATOM 0 HD2 TYR A 107 119.272 9.472 6.111 1.00 0.00 H new ATOM 0 HE1 TYR A 107 119.809 11.425 1.582 1.00 0.00 H new ATOM 0 HE2 TYR A 107 120.293 11.719 5.840 1.00 0.00 H new ATOM 0 HH TYR A 107 120.310 13.399 2.744 1.00 0.00 H new ATOM 1776 N PRO A 108 121.143 6.723 5.509 1.00 0.00 N ATOM 1777 CA PRO A 108 122.507 7.047 6.006 1.00 0.00 C ATOM 1778 C PRO A 108 123.546 6.127 5.356 1.00 0.00 C ATOM 1779 O PRO A 108 124.654 6.522 5.054 1.00 0.00 O ATOM 1780 CB PRO A 108 122.386 6.777 7.523 1.00 0.00 C ATOM 1781 CG PRO A 108 120.952 6.290 7.815 1.00 0.00 C ATOM 1782 CD PRO A 108 120.263 6.002 6.470 1.00 0.00 C ATOM 0 HA PRO A 108 122.831 8.062 5.778 1.00 0.00 H new ATOM 0 HB2 PRO A 108 123.113 6.027 7.834 1.00 0.00 H new ATOM 0 HB3 PRO A 108 122.602 7.684 8.088 1.00 0.00 H new ATOM 0 HG2 PRO A 108 120.973 5.392 8.432 1.00 0.00 H new ATOM 0 HG3 PRO A 108 120.399 7.046 8.372 1.00 0.00 H new ATOM 0 HD2 PRO A 108 120.215 4.934 6.257 1.00 0.00 H new ATOM 0 HD3 PRO A 108 119.240 6.378 6.447 1.00 0.00 H new ATOM 1790 N TYR A 109 123.179 4.894 5.153 1.00 0.00 N ATOM 1791 CA TYR A 109 124.116 3.918 4.538 1.00 0.00 C ATOM 1792 C TYR A 109 124.398 4.308 3.083 1.00 0.00 C ATOM 1793 O TYR A 109 125.529 4.315 2.640 1.00 0.00 O ATOM 1794 CB TYR A 109 123.478 2.529 4.583 1.00 0.00 C ATOM 1795 CG TYR A 109 124.531 1.486 4.309 1.00 0.00 C ATOM 1796 CD1 TYR A 109 125.550 1.274 5.244 1.00 0.00 C ATOM 1797 CD2 TYR A 109 124.490 0.728 3.133 1.00 0.00 C ATOM 1798 CE1 TYR A 109 126.531 0.310 5.003 1.00 0.00 C ATOM 1799 CE2 TYR A 109 125.472 -0.237 2.892 1.00 0.00 C ATOM 1800 CZ TYR A 109 126.494 -0.446 3.827 1.00 0.00 C ATOM 1801 OH TYR A 109 127.463 -1.399 3.588 1.00 0.00 O ATOM 0 H TYR A 109 122.261 4.518 5.390 1.00 0.00 H new ATOM 0 HA TYR A 109 125.056 3.915 5.089 1.00 0.00 H new ATOM 0 HB2 TYR A 109 123.025 2.356 5.559 1.00 0.00 H new ATOM 0 HB3 TYR A 109 122.680 2.459 3.844 1.00 0.00 H new ATOM 0 HD1 TYR A 109 125.578 1.857 6.153 1.00 0.00 H new ATOM 0 HD2 TYR A 109 123.701 0.888 2.413 1.00 0.00 H new ATOM 0 HE1 TYR A 109 127.318 0.148 5.725 1.00 0.00 H new ATOM 0 HE2 TYR A 109 125.443 -0.822 1.984 1.00 0.00 H new ATOM 0 HH TYR A 109 127.289 -1.834 2.727 1.00 0.00 H new ATOM 1811 N GLU A 110 123.375 4.624 2.335 1.00 0.00 N ATOM 1812 CA GLU A 110 123.574 5.007 0.911 1.00 0.00 C ATOM 1813 C GLU A 110 124.554 6.181 0.819 1.00 0.00 C ATOM 1814 O GLU A 110 125.486 6.162 0.041 1.00 0.00 O ATOM 1815 CB GLU A 110 122.221 5.412 0.318 1.00 0.00 C ATOM 1816 CG GLU A 110 122.394 5.811 -1.147 1.00 0.00 C ATOM 1817 CD GLU A 110 121.017 5.971 -1.794 1.00 0.00 C ATOM 1818 OE1 GLU A 110 120.033 5.772 -1.101 1.00 0.00 O ATOM 1819 OE2 GLU A 110 120.968 6.276 -2.973 1.00 0.00 O ATOM 0 H GLU A 110 122.406 4.633 2.653 1.00 0.00 H new ATOM 0 HA GLU A 110 123.985 4.164 0.355 1.00 0.00 H new ATOM 0 HB2 GLU A 110 121.517 4.584 0.398 1.00 0.00 H new ATOM 0 HB3 GLU A 110 121.801 6.244 0.883 1.00 0.00 H new ATOM 0 HG2 GLU A 110 122.952 6.744 -1.218 1.00 0.00 H new ATOM 0 HG3 GLU A 110 122.971 5.053 -1.676 1.00 0.00 H new ATOM 1826 N CYS A 111 124.343 7.206 1.599 1.00 0.00 N ATOM 1827 CA CYS A 111 125.256 8.386 1.548 1.00 0.00 C ATOM 1828 C CYS A 111 126.659 8.019 2.050 1.00 0.00 C ATOM 1829 O CYS A 111 127.645 8.564 1.608 1.00 0.00 O ATOM 1830 CB CYS A 111 124.687 9.514 2.413 1.00 0.00 C ATOM 1831 SG CYS A 111 124.801 9.059 4.160 1.00 0.00 S ATOM 0 H CYS A 111 123.578 7.278 2.270 1.00 0.00 H new ATOM 0 HA CYS A 111 125.333 8.714 0.511 1.00 0.00 H new ATOM 0 HB2 CYS A 111 125.237 10.437 2.231 1.00 0.00 H new ATOM 0 HB3 CYS A 111 123.648 9.703 2.144 1.00 0.00 H new ATOM 0 HG CYS A 111 124.802 7.764 4.272 1.00 0.00 H new ATOM 1837 N GLU A 112 126.775 7.124 2.983 1.00 0.00 N ATOM 1838 CA GLU A 112 128.137 6.789 3.489 1.00 0.00 C ATOM 1839 C GLU A 112 128.977 6.158 2.371 1.00 0.00 C ATOM 1840 O GLU A 112 130.120 6.516 2.169 1.00 0.00 O ATOM 1841 CB GLU A 112 128.024 5.812 4.664 1.00 0.00 C ATOM 1842 CG GLU A 112 129.407 5.589 5.295 1.00 0.00 C ATOM 1843 CD GLU A 112 130.223 4.607 4.448 1.00 0.00 C ATOM 1844 OE1 GLU A 112 129.633 3.924 3.627 1.00 0.00 O ATOM 1845 OE2 GLU A 112 131.427 4.551 4.638 1.00 0.00 O ATOM 0 H GLU A 112 126.003 6.615 3.414 1.00 0.00 H new ATOM 0 HA GLU A 112 128.625 7.704 3.824 1.00 0.00 H new ATOM 0 HB2 GLU A 112 127.334 6.206 5.410 1.00 0.00 H new ATOM 0 HB3 GLU A 112 127.614 4.862 4.320 1.00 0.00 H new ATOM 0 HG2 GLU A 112 129.936 6.539 5.374 1.00 0.00 H new ATOM 0 HG3 GLU A 112 129.295 5.201 6.307 1.00 0.00 H new ATOM 1852 N LYS A 113 128.433 5.212 1.657 1.00 0.00 N ATOM 1853 CA LYS A 113 129.219 4.554 0.572 1.00 0.00 C ATOM 1854 C LYS A 113 129.442 5.490 -0.627 1.00 0.00 C ATOM 1855 O LYS A 113 130.499 5.472 -1.227 1.00 0.00 O ATOM 1856 CB LYS A 113 128.475 3.303 0.093 1.00 0.00 C ATOM 1857 CG LYS A 113 128.340 2.287 1.238 1.00 0.00 C ATOM 1858 CD LYS A 113 129.693 1.621 1.535 1.00 0.00 C ATOM 1859 CE LYS A 113 129.466 0.385 2.406 1.00 0.00 C ATOM 1860 NZ LYS A 113 128.884 0.803 3.711 1.00 0.00 N ATOM 0 H LYS A 113 127.481 4.866 1.776 1.00 0.00 H new ATOM 0 HA LYS A 113 130.194 4.292 0.983 1.00 0.00 H new ATOM 0 HB2 LYS A 113 127.487 3.579 -0.275 1.00 0.00 H new ATOM 0 HB3 LYS A 113 129.011 2.851 -0.741 1.00 0.00 H new ATOM 0 HG2 LYS A 113 127.971 2.787 2.133 1.00 0.00 H new ATOM 0 HG3 LYS A 113 127.605 1.527 0.972 1.00 0.00 H new ATOM 0 HD2 LYS A 113 130.185 1.339 0.604 1.00 0.00 H new ATOM 0 HD3 LYS A 113 130.353 2.323 2.044 1.00 0.00 H new ATOM 0 HE2 LYS A 113 128.796 -0.311 1.902 1.00 0.00 H new ATOM 0 HE3 LYS A 113 130.408 -0.139 2.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 129.550 0.577 4.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 128.705 1.827 3.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 127.989 0.297 3.870 1.00 0.00 H new ATOM 1874 N LYS A 114 128.454 6.270 -1.015 1.00 0.00 N ATOM 1875 CA LYS A 114 128.621 7.160 -2.220 1.00 0.00 C ATOM 1876 C LYS A 114 128.439 8.648 -1.872 1.00 0.00 C ATOM 1877 O LYS A 114 128.767 9.509 -2.665 1.00 0.00 O ATOM 1878 CB LYS A 114 127.571 6.767 -3.264 1.00 0.00 C ATOM 1879 CG LYS A 114 127.681 5.274 -3.607 1.00 0.00 C ATOM 1880 CD LYS A 114 128.946 5.003 -4.435 1.00 0.00 C ATOM 1881 CE LYS A 114 128.870 3.602 -5.053 1.00 0.00 C ATOM 1882 NZ LYS A 114 129.086 2.578 -3.993 1.00 0.00 N ATOM 0 H LYS A 114 127.546 6.330 -0.555 1.00 0.00 H new ATOM 0 HA LYS A 114 129.634 7.027 -2.601 1.00 0.00 H new ATOM 0 HB2 LYS A 114 126.573 6.986 -2.884 1.00 0.00 H new ATOM 0 HB3 LYS A 114 127.706 7.364 -4.166 1.00 0.00 H new ATOM 0 HG2 LYS A 114 127.707 4.685 -2.690 1.00 0.00 H new ATOM 0 HG3 LYS A 114 126.800 4.957 -4.165 1.00 0.00 H new ATOM 0 HD2 LYS A 114 129.045 5.752 -5.220 1.00 0.00 H new ATOM 0 HD3 LYS A 114 129.830 5.084 -3.803 1.00 0.00 H new ATOM 0 HE2 LYS A 114 127.899 3.453 -5.524 1.00 0.00 H new ATOM 0 HE3 LYS A 114 129.623 3.496 -5.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 129.034 1.628 -4.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 130.023 2.716 -3.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 128.352 2.674 -3.263 1.00 0.00 H new ATOM 1896 N ASN A 115 127.917 8.976 -0.721 1.00 0.00 N ATOM 1897 CA ASN A 115 127.729 10.425 -0.386 1.00 0.00 C ATOM 1898 C ASN A 115 126.955 11.106 -1.517 1.00 0.00 C ATOM 1899 O ASN A 115 127.354 12.133 -2.029 1.00 0.00 O ATOM 1900 CB ASN A 115 129.099 11.092 -0.228 1.00 0.00 C ATOM 1901 CG ASN A 115 128.929 12.511 0.326 1.00 0.00 C ATOM 1902 OD1 ASN A 115 129.861 13.291 0.317 1.00 0.00 O ATOM 1903 ND2 ASN A 115 127.775 12.883 0.809 1.00 0.00 N ATOM 0 H ASN A 115 127.615 8.316 -0.004 1.00 0.00 H new ATOM 0 HA ASN A 115 127.172 10.518 0.546 1.00 0.00 H new ATOM 0 HB2 ASN A 115 129.724 10.503 0.443 1.00 0.00 H new ATOM 0 HB3 ASN A 115 129.609 11.127 -1.191 1.00 0.00 H new ATOM 0 HD21 ASN A 115 127.657 13.827 1.178 1.00 0.00 H new ATOM 0 HD22 ASN A 115 126.991 12.230 0.818 1.00 0.00 H new ATOM 1910 N LEU A 116 125.856 10.530 -1.916 1.00 0.00 N ATOM 1911 CA LEU A 116 125.051 11.121 -3.023 1.00 0.00 C ATOM 1912 C LEU A 116 124.565 12.519 -2.644 1.00 0.00 C ATOM 1913 O LEU A 116 124.533 13.413 -3.465 1.00 0.00 O ATOM 1914 CB LEU A 116 123.828 10.239 -3.279 1.00 0.00 C ATOM 1915 CG LEU A 116 124.268 8.802 -3.573 1.00 0.00 C ATOM 1916 CD1 LEU A 116 123.028 7.921 -3.798 1.00 0.00 C ATOM 1917 CD2 LEU A 116 125.166 8.770 -4.823 1.00 0.00 C ATOM 0 H LEU A 116 125.478 9.669 -1.521 1.00 0.00 H new ATOM 0 HA LEU A 116 125.676 11.184 -3.914 1.00 0.00 H new ATOM 0 HB2 LEU A 116 123.170 10.256 -2.410 1.00 0.00 H new ATOM 0 HB3 LEU A 116 123.256 10.632 -4.120 1.00 0.00 H new ATOM 0 HG LEU A 116 124.834 8.420 -2.723 1.00 0.00 H new ATOM 0 HD11 LEU A 116 123.341 6.898 -4.007 1.00 0.00 H new ATOM 0 HD12 LEU A 116 122.405 7.934 -2.903 1.00 0.00 H new ATOM 0 HD13 LEU A 116 122.457 8.306 -4.643 1.00 0.00 H new ATOM 0 HD21 LEU A 116 125.474 7.744 -5.024 1.00 0.00 H new ATOM 0 HD22 LEU A 116 124.613 9.157 -5.679 1.00 0.00 H new ATOM 0 HD23 LEU A 116 126.049 9.387 -4.653 1.00 0.00 H new ATOM 1929 N SER A 117 124.157 12.718 -1.419 1.00 0.00 N ATOM 1930 CA SER A 117 123.645 14.064 -1.033 1.00 0.00 C ATOM 1931 C SER A 117 123.678 14.243 0.490 1.00 0.00 C ATOM 1932 O SER A 117 124.183 13.408 1.215 1.00 0.00 O ATOM 1933 CB SER A 117 122.206 14.199 -1.532 1.00 0.00 C ATOM 1934 OG SER A 117 122.216 14.452 -2.930 1.00 0.00 O ATOM 0 H SER A 117 124.156 12.017 -0.678 1.00 0.00 H new ATOM 0 HA SER A 117 124.278 14.830 -1.481 1.00 0.00 H new ATOM 0 HB2 SER A 117 121.648 13.287 -1.320 1.00 0.00 H new ATOM 0 HB3 SER A 117 121.702 15.010 -1.007 1.00 0.00 H new ATOM 0 HG SER A 117 123.142 14.482 -3.250 1.00 0.00 H new ATOM 1940 N THR A 118 123.128 15.335 0.971 1.00 0.00 N ATOM 1941 CA THR A 118 123.094 15.609 2.441 1.00 0.00 C ATOM 1942 C THR A 118 121.636 15.913 2.826 1.00 0.00 C ATOM 1943 O THR A 118 120.871 16.370 2.003 1.00 0.00 O ATOM 1944 CB THR A 118 123.978 16.830 2.735 1.00 0.00 C ATOM 1945 OG1 THR A 118 123.774 17.811 1.727 1.00 0.00 O ATOM 1946 CG2 THR A 118 125.451 16.410 2.744 1.00 0.00 C ATOM 0 H THR A 118 122.695 16.058 0.396 1.00 0.00 H new ATOM 0 HA THR A 118 123.462 14.756 3.011 1.00 0.00 H new ATOM 0 HB THR A 118 123.714 17.242 3.709 1.00 0.00 H new ATOM 0 HG1 THR A 118 124.336 18.592 1.913 1.00 0.00 H new ATOM 0 HG21 THR A 118 126.076 17.278 2.953 1.00 0.00 H new ATOM 0 HG22 THR A 118 125.609 15.655 3.514 1.00 0.00 H new ATOM 0 HG23 THR A 118 125.718 15.997 1.771 1.00 0.00 H new ATOM 1954 N PRO A 119 121.228 15.654 4.047 1.00 0.00 N ATOM 1955 CA PRO A 119 119.815 15.919 4.442 1.00 0.00 C ATOM 1956 C PRO A 119 119.328 17.319 4.021 1.00 0.00 C ATOM 1957 O PRO A 119 118.142 17.563 3.915 1.00 0.00 O ATOM 1958 CB PRO A 119 119.861 15.756 5.979 1.00 0.00 C ATOM 1959 CG PRO A 119 121.305 15.392 6.387 1.00 0.00 C ATOM 1960 CD PRO A 119 122.110 15.098 5.110 1.00 0.00 C ATOM 0 HA PRO A 119 119.107 15.249 3.954 1.00 0.00 H new ATOM 0 HB2 PRO A 119 119.550 16.679 6.468 1.00 0.00 H new ATOM 0 HB3 PRO A 119 119.169 14.977 6.299 1.00 0.00 H new ATOM 0 HG2 PRO A 119 121.760 16.212 6.942 1.00 0.00 H new ATOM 0 HG3 PRO A 119 121.306 14.523 7.045 1.00 0.00 H new ATOM 0 HD2 PRO A 119 123.086 15.583 5.124 1.00 0.00 H new ATOM 0 HD3 PRO A 119 122.286 14.031 4.976 1.00 0.00 H new ATOM 1968 N ALA A 120 120.227 18.235 3.780 1.00 0.00 N ATOM 1969 CA ALA A 120 119.799 19.608 3.370 1.00 0.00 C ATOM 1970 C ALA A 120 119.177 19.574 1.969 1.00 0.00 C ATOM 1971 O ALA A 120 118.036 19.954 1.768 1.00 0.00 O ATOM 1972 CB ALA A 120 121.010 20.541 3.364 1.00 0.00 C ATOM 0 H ALA A 120 121.235 18.095 3.848 1.00 0.00 H new ATOM 0 HA ALA A 120 119.057 19.972 4.080 1.00 0.00 H new ATOM 0 HB1 ALA A 120 120.697 21.541 3.065 1.00 0.00 H new ATOM 0 HB2 ALA A 120 121.444 20.580 4.363 1.00 0.00 H new ATOM 0 HB3 ALA A 120 121.753 20.168 2.660 1.00 0.00 H new ATOM 1978 N GLU A 121 119.921 19.124 0.996 1.00 0.00 N ATOM 1979 CA GLU A 121 119.383 19.070 -0.392 1.00 0.00 C ATOM 1980 C GLU A 121 118.281 18.015 -0.464 1.00 0.00 C ATOM 1981 O GLU A 121 117.399 18.080 -1.296 1.00 0.00 O ATOM 1982 CB GLU A 121 120.519 18.748 -1.384 1.00 0.00 C ATOM 1983 CG GLU A 121 121.596 17.910 -0.697 1.00 0.00 C ATOM 1984 CD GLU A 121 122.584 17.394 -1.743 1.00 0.00 C ATOM 1985 OE1 GLU A 121 122.204 17.310 -2.899 1.00 0.00 O ATOM 1986 OE2 GLU A 121 123.704 17.092 -1.369 1.00 0.00 O ATOM 0 H GLU A 121 120.879 18.791 1.103 1.00 0.00 H new ATOM 0 HA GLU A 121 118.961 20.038 -0.663 1.00 0.00 H new ATOM 0 HB2 GLU A 121 120.120 18.208 -2.243 1.00 0.00 H new ATOM 0 HB3 GLU A 121 120.954 19.673 -1.763 1.00 0.00 H new ATOM 0 HG2 GLU A 121 122.119 18.510 0.048 1.00 0.00 H new ATOM 0 HG3 GLU A 121 121.139 17.073 -0.169 1.00 0.00 H new ATOM 1993 N LEU A 122 118.309 17.054 0.413 1.00 0.00 N ATOM 1994 CA LEU A 122 117.241 16.017 0.398 1.00 0.00 C ATOM 1995 C LEU A 122 115.900 16.709 0.613 1.00 0.00 C ATOM 1996 O LEU A 122 114.924 16.416 -0.048 1.00 0.00 O ATOM 1997 CB LEU A 122 117.479 15.008 1.525 1.00 0.00 C ATOM 1998 CG LEU A 122 116.364 13.949 1.537 1.00 0.00 C ATOM 1999 CD1 LEU A 122 116.325 13.200 0.194 1.00 0.00 C ATOM 2000 CD2 LEU A 122 116.634 12.956 2.672 1.00 0.00 C ATOM 0 H LEU A 122 119.020 16.941 1.136 1.00 0.00 H new ATOM 0 HA LEU A 122 117.248 15.489 -0.555 1.00 0.00 H new ATOM 0 HB2 LEU A 122 118.447 14.525 1.392 1.00 0.00 H new ATOM 0 HB3 LEU A 122 117.510 15.525 2.484 1.00 0.00 H new ATOM 0 HG LEU A 122 115.403 14.439 1.691 1.00 0.00 H new ATOM 0 HD11 LEU A 122 115.531 12.453 0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 122 116.134 13.908 -0.612 1.00 0.00 H new ATOM 0 HD13 LEU A 122 117.282 12.707 0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 122 115.848 12.201 2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 122 117.598 12.473 2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 122 116.648 13.487 3.624 1.00 0.00 H new ATOM 2012 N GLN A 123 115.846 17.633 1.531 1.00 0.00 N ATOM 2013 CA GLN A 123 114.569 18.346 1.779 1.00 0.00 C ATOM 2014 C GLN A 123 114.160 19.046 0.489 1.00 0.00 C ATOM 2015 O GLN A 123 113.019 18.993 0.077 1.00 0.00 O ATOM 2016 CB GLN A 123 114.766 19.373 2.897 1.00 0.00 C ATOM 2017 CG GLN A 123 113.414 19.981 3.277 1.00 0.00 C ATOM 2018 CD GLN A 123 112.556 18.918 3.962 1.00 0.00 C ATOM 2019 OE1 GLN A 123 112.836 18.516 5.074 1.00 0.00 O ATOM 2020 NE2 GLN A 123 111.514 18.440 3.339 1.00 0.00 N ATOM 0 H GLN A 123 116.629 17.922 2.117 1.00 0.00 H new ATOM 0 HA GLN A 123 113.792 17.646 2.085 1.00 0.00 H new ATOM 0 HB2 GLN A 123 115.220 18.897 3.766 1.00 0.00 H new ATOM 0 HB3 GLN A 123 115.450 20.156 2.569 1.00 0.00 H new ATOM 0 HG2 GLN A 123 113.559 20.832 3.943 1.00 0.00 H new ATOM 0 HG3 GLN A 123 112.908 20.355 2.387 1.00 0.00 H new ATOM 0 HE21 GLN A 123 111.279 18.777 2.406 1.00 0.00 H new ATOM 0 HE22 GLN A 123 110.935 17.729 3.785 1.00 0.00 H new ATOM 2029 N ALA A 124 115.092 19.672 -0.173 1.00 0.00 N ATOM 2030 CA ALA A 124 114.755 20.338 -1.458 1.00 0.00 C ATOM 2031 C ALA A 124 114.248 19.265 -2.422 1.00 0.00 C ATOM 2032 O ALA A 124 113.309 19.471 -3.167 1.00 0.00 O ATOM 2033 CB ALA A 124 116.002 21.011 -2.037 1.00 0.00 C ATOM 0 H ALA A 124 116.066 19.750 0.119 1.00 0.00 H new ATOM 0 HA ALA A 124 113.992 21.101 -1.303 1.00 0.00 H new ATOM 0 HB1 ALA A 124 115.749 21.497 -2.979 1.00 0.00 H new ATOM 0 HB2 ALA A 124 116.374 21.755 -1.333 1.00 0.00 H new ATOM 0 HB3 ALA A 124 116.773 20.260 -2.212 1.00 0.00 H new ATOM 2039 N ALA A 125 114.865 18.112 -2.400 1.00 0.00 N ATOM 2040 CA ALA A 125 114.431 17.006 -3.297 1.00 0.00 C ATOM 2041 C ALA A 125 113.036 16.536 -2.884 1.00 0.00 C ATOM 2042 O ALA A 125 112.196 16.243 -3.712 1.00 0.00 O ATOM 2043 CB ALA A 125 115.417 15.837 -3.178 1.00 0.00 C ATOM 0 H ALA A 125 115.655 17.890 -1.795 1.00 0.00 H new ATOM 0 HA ALA A 125 114.407 17.360 -4.328 1.00 0.00 H new ATOM 0 HB1 ALA A 125 115.101 15.026 -3.834 1.00 0.00 H new ATOM 0 HB2 ALA A 125 116.413 16.171 -3.468 1.00 0.00 H new ATOM 0 HB3 ALA A 125 115.438 15.482 -2.147 1.00 0.00 H new ATOM 2049 N ILE A 126 112.780 16.459 -1.606 1.00 0.00 N ATOM 2050 CA ILE A 126 111.440 16.007 -1.136 1.00 0.00 C ATOM 2051 C ILE A 126 110.391 17.079 -1.453 1.00 0.00 C ATOM 2052 O ILE A 126 109.275 16.773 -1.822 1.00 0.00 O ATOM 2053 CB ILE A 126 111.488 15.739 0.373 1.00 0.00 C ATOM 2054 CG1 ILE A 126 112.356 14.504 0.634 1.00 0.00 C ATOM 2055 CG2 ILE A 126 110.075 15.487 0.909 1.00 0.00 C ATOM 2056 CD1 ILE A 126 112.621 14.368 2.134 1.00 0.00 C ATOM 0 H ILE A 126 113.443 16.690 -0.866 1.00 0.00 H new ATOM 0 HA ILE A 126 111.166 15.086 -1.650 1.00 0.00 H new ATOM 0 HB ILE A 126 111.910 16.607 0.879 1.00 0.00 H new ATOM 0 HG12 ILE A 126 111.856 13.610 0.261 1.00 0.00 H new ATOM 0 HG13 ILE A 126 113.299 14.590 0.095 1.00 0.00 H new ATOM 0 HG21 ILE A 126 110.121 15.298 1.981 1.00 0.00 H new ATOM 0 HG22 ILE A 126 109.453 16.362 0.721 1.00 0.00 H new ATOM 0 HG23 ILE A 126 109.644 14.621 0.406 1.00 0.00 H new ATOM 0 HD11 ILE A 126 113.239 13.489 2.316 1.00 0.00 H new ATOM 0 HD12 ILE A 126 113.140 15.257 2.494 1.00 0.00 H new ATOM 0 HD13 ILE A 126 111.674 14.262 2.663 1.00 0.00 H new