USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=23 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 111 CYS SG : rot 180:sc= -0.76 USER MOD Set 1.2: A 115 ASN : amide:sc= -0.108 K(o=-0.87,f=-2.6!) USER MOD Set 2.1: A 44 ASN : amide:sc= -1.56 K(o=-5.6,f=-3.9!) USER MOD Set 2.2: A 101 GLN : amide:sc= -3.99 K(o=-5.6,f=-1.5) USER MOD Set 3.1: A 9 GLN : amide:sc= -5.26! K(o=-8.3!,f=-4) USER MOD Set 3.2: A 12 GLN : amide:sc= -2.99 K(o=-8.3,f=-5.3) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -2.89! C(o=-2.9!,f=-5.1!) USER MOD Single : A 17 TYR OH : rot 150:sc= -0.627 USER MOD Single : A 20 ASN : amide:sc= -3.54! C(o=-3.5!,f=-4.9!) USER MOD Single : A 24 LYS NZ :NH3+ -160:sc= -0.667 (180deg=-1.37) USER MOD Single : A 26 LYS NZ :NH3+ 160:sc= -0.114 (180deg=-0.706) USER MOD Single : A 34 SER OG : rot 107:sc= 1.23 USER MOD Single : A 36 MET CE :methyl -118:sc= -2.99 (180deg=-10.2!) USER MOD Single : A 37 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.52) USER MOD Single : A 38 LYS NZ :NH3+ 157:sc= -0.0921 (180deg=-0.587) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.00047 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot -130:sc= -0.0951 USER MOD Single : A 61 ASN : amide:sc= -0.298 K(o=-0.3,f=-3.4!) USER MOD Single : A 74 ASN : amide:sc= -1.79! C(o=-1.8!,f=-3.5!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -165:sc=-0.00841 (180deg=-0.233) USER MOD Single : A 79 GLN : amide:sc= -0.872 K(o=-0.87,f=-0.21) 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 102 TYR OH : rot -11:sc= 0.312 USER MOD Single : A 103 MET CE :methyl 148:sc= -0.143 (180deg=-0.93) USER MOD Single : A 104 LYS NZ :NH3+ -120:sc= -0.11 (180deg=-0.755) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= -2.6! USER MOD Single : A 113 LYS NZ :NH3+ -172:sc= 0.142 (180deg=0.0747) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot -120:sc= -3.89! USER MOD Single : A 118 THR OG1 : rot -63:sc= 0.121 USER MOD Single : A 123 GLN : amide:sc= -0.229 X(o=-0.23,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 78 N GLU A 8 111.776 -14.195 14.833 1.00 0.00 N ATOM 79 CA GLU A 8 111.309 -14.799 13.551 1.00 0.00 C ATOM 80 C GLU A 8 111.946 -14.035 12.386 1.00 0.00 C ATOM 81 O GLU A 8 112.369 -14.611 11.400 1.00 0.00 O ATOM 82 CB GLU A 8 109.779 -14.693 13.482 1.00 0.00 C ATOM 83 CG GLU A 8 109.263 -15.305 12.178 1.00 0.00 C ATOM 84 CD GLU A 8 107.737 -15.196 12.134 1.00 0.00 C ATOM 85 OE1 GLU A 8 107.246 -14.088 11.997 1.00 0.00 O ATOM 86 OE2 GLU A 8 107.087 -16.223 12.240 1.00 0.00 O ATOM 0 HA GLU A 8 111.598 -15.848 13.493 1.00 0.00 H new ATOM 0 HB2 GLU A 8 109.333 -15.206 14.334 1.00 0.00 H new ATOM 0 HB3 GLU A 8 109.477 -13.648 13.546 1.00 0.00 H new ATOM 0 HG2 GLU A 8 109.700 -14.789 11.323 1.00 0.00 H new ATOM 0 HG3 GLU A 8 109.566 -16.350 12.109 1.00 0.00 H new ATOM 93 N GLN A 9 112.030 -12.743 12.505 1.00 0.00 N ATOM 94 CA GLN A 9 112.647 -11.923 11.425 1.00 0.00 C ATOM 95 C GLN A 9 114.150 -12.226 11.367 1.00 0.00 C ATOM 96 O GLN A 9 114.800 -12.028 10.361 1.00 0.00 O ATOM 97 CB GLN A 9 112.438 -10.441 11.747 1.00 0.00 C ATOM 98 CG GLN A 9 112.836 -9.585 10.544 1.00 0.00 C ATOM 99 CD GLN A 9 111.766 -9.699 9.460 1.00 0.00 C ATOM 100 OE1 GLN A 9 110.603 -9.455 9.711 1.00 0.00 O ATOM 101 NE2 GLN A 9 112.109 -10.059 8.255 1.00 0.00 N ATOM 0 H GLN A 9 111.696 -12.213 13.310 1.00 0.00 H new ATOM 0 HA GLN A 9 112.188 -12.159 10.465 1.00 0.00 H new ATOM 0 HB2 GLN A 9 111.394 -10.260 12.004 1.00 0.00 H new ATOM 0 HB3 GLN A 9 113.033 -10.161 12.616 1.00 0.00 H new ATOM 0 HG2 GLN A 9 112.952 -8.544 10.847 1.00 0.00 H new ATOM 0 HG3 GLN A 9 113.800 -9.913 10.154 1.00 0.00 H new ATOM 0 HE21 GLN A 9 113.085 -10.264 8.043 1.00 0.00 H new ATOM 0 HE22 GLN A 9 111.401 -10.135 7.525 1.00 0.00 H new ATOM 110 N PHE A 10 114.704 -12.685 12.453 1.00 0.00 N ATOM 111 CA PHE A 10 116.167 -12.984 12.494 1.00 0.00 C ATOM 112 C PHE A 10 116.499 -14.107 11.491 1.00 0.00 C ATOM 113 O PHE A 10 117.324 -13.942 10.608 1.00 0.00 O ATOM 114 CB PHE A 10 116.510 -13.439 13.926 1.00 0.00 C ATOM 115 CG PHE A 10 117.929 -13.062 14.312 1.00 0.00 C ATOM 116 CD1 PHE A 10 119.010 -13.455 13.512 1.00 0.00 C ATOM 117 CD2 PHE A 10 118.161 -12.321 15.486 1.00 0.00 C ATOM 118 CE1 PHE A 10 120.317 -13.108 13.881 1.00 0.00 C ATOM 119 CE2 PHE A 10 119.468 -11.979 15.852 1.00 0.00 C ATOM 120 CZ PHE A 10 120.545 -12.372 15.050 1.00 0.00 C ATOM 0 H PHE A 10 114.204 -12.868 13.323 1.00 0.00 H new ATOM 0 HA PHE A 10 116.747 -12.102 12.225 1.00 0.00 H new ATOM 0 HB2 PHE A 10 115.810 -12.987 14.629 1.00 0.00 H new ATOM 0 HB3 PHE A 10 116.387 -14.519 14.004 1.00 0.00 H new ATOM 0 HD1 PHE A 10 118.836 -14.025 12.611 1.00 0.00 H new ATOM 0 HD2 PHE A 10 117.330 -12.016 16.105 1.00 0.00 H new ATOM 0 HE1 PHE A 10 121.150 -13.409 13.262 1.00 0.00 H new ATOM 0 HE2 PHE A 10 119.645 -11.412 16.754 1.00 0.00 H new ATOM 0 HZ PHE A 10 121.553 -12.107 15.333 1.00 0.00 H new ATOM 130 N LYS A 11 115.874 -15.249 11.619 1.00 0.00 N ATOM 131 CA LYS A 11 116.181 -16.359 10.670 1.00 0.00 C ATOM 132 C LYS A 11 115.869 -15.929 9.236 1.00 0.00 C ATOM 133 O LYS A 11 116.480 -16.397 8.295 1.00 0.00 O ATOM 134 CB LYS A 11 115.397 -17.626 11.038 1.00 0.00 C ATOM 135 CG LYS A 11 113.890 -17.391 10.932 1.00 0.00 C ATOM 136 CD LYS A 11 113.167 -18.688 11.310 1.00 0.00 C ATOM 137 CE LYS A 11 111.654 -18.491 11.219 1.00 0.00 C ATOM 138 NZ LYS A 11 110.967 -19.789 11.482 1.00 0.00 N ATOM 0 H LYS A 11 115.173 -15.459 12.330 1.00 0.00 H new ATOM 0 HA LYS A 11 117.244 -16.589 10.742 1.00 0.00 H new ATOM 0 HB2 LYS A 11 115.688 -18.442 10.377 1.00 0.00 H new ATOM 0 HB3 LYS A 11 115.650 -17.932 12.053 1.00 0.00 H new ATOM 0 HG2 LYS A 11 113.586 -16.581 11.595 1.00 0.00 H new ATOM 0 HG3 LYS A 11 113.624 -17.091 9.918 1.00 0.00 H new ATOM 0 HD2 LYS A 11 113.477 -19.494 10.645 1.00 0.00 H new ATOM 0 HD3 LYS A 11 113.443 -18.986 12.322 1.00 0.00 H new ATOM 0 HE2 LYS A 11 111.330 -17.743 11.942 1.00 0.00 H new ATOM 0 HE3 LYS A 11 111.384 -18.118 10.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 109.937 -19.656 11.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 111.268 -20.491 10.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 111.216 -20.127 12.434 1.00 0.00 H new ATOM 152 N GLN A 12 114.939 -15.032 9.048 1.00 0.00 N ATOM 153 CA GLN A 12 114.633 -14.585 7.660 1.00 0.00 C ATOM 154 C GLN A 12 115.906 -13.981 7.065 1.00 0.00 C ATOM 155 O GLN A 12 116.224 -14.174 5.915 1.00 0.00 O ATOM 156 CB GLN A 12 113.528 -13.529 7.678 1.00 0.00 C ATOM 157 CG GLN A 12 112.207 -14.178 8.093 1.00 0.00 C ATOM 158 CD GLN A 12 111.123 -13.105 8.197 1.00 0.00 C ATOM 159 OE1 GLN A 12 111.037 -12.229 7.361 1.00 0.00 O ATOM 160 NE2 GLN A 12 110.293 -13.131 9.205 1.00 0.00 N ATOM 0 H GLN A 12 114.385 -14.595 9.784 1.00 0.00 H new ATOM 0 HA GLN A 12 114.294 -15.431 7.063 1.00 0.00 H new ATOM 0 HB2 GLN A 12 113.786 -12.729 8.372 1.00 0.00 H new ATOM 0 HB3 GLN A 12 113.428 -13.075 6.692 1.00 0.00 H new ATOM 0 HG2 GLN A 12 111.916 -14.934 7.364 1.00 0.00 H new ATOM 0 HG3 GLN A 12 112.324 -14.686 9.050 1.00 0.00 H new ATOM 0 HE21 GLN A 12 110.366 -13.867 9.907 1.00 0.00 H new ATOM 0 HE22 GLN A 12 109.572 -12.415 9.290 1.00 0.00 H new ATOM 169 N VAL A 13 116.651 -13.259 7.851 1.00 0.00 N ATOM 170 CA VAL A 13 117.909 -12.652 7.334 1.00 0.00 C ATOM 171 C VAL A 13 118.837 -13.762 6.853 1.00 0.00 C ATOM 172 O VAL A 13 119.486 -13.640 5.832 1.00 0.00 O ATOM 173 CB VAL A 13 118.582 -11.855 8.455 1.00 0.00 C ATOM 174 CG1 VAL A 13 119.991 -11.429 8.031 1.00 0.00 C ATOM 175 CG2 VAL A 13 117.746 -10.610 8.751 1.00 0.00 C ATOM 0 H VAL A 13 116.444 -13.062 8.830 1.00 0.00 H new ATOM 0 HA VAL A 13 117.687 -11.983 6.503 1.00 0.00 H new ATOM 0 HB VAL A 13 118.655 -12.480 9.345 1.00 0.00 H new ATOM 0 HG11 VAL A 13 120.458 -10.863 8.837 1.00 0.00 H new ATOM 0 HG12 VAL A 13 120.589 -12.314 7.815 1.00 0.00 H new ATOM 0 HG13 VAL A 13 119.930 -10.806 7.139 1.00 0.00 H new ATOM 0 HG21 VAL A 13 118.218 -10.036 9.548 1.00 0.00 H new ATOM 0 HG22 VAL A 13 117.678 -9.996 7.853 1.00 0.00 H new ATOM 0 HG23 VAL A 13 116.745 -10.909 9.063 1.00 0.00 H new ATOM 185 N ARG A 14 118.906 -14.849 7.562 1.00 0.00 N ATOM 186 CA ARG A 14 119.796 -15.948 7.105 1.00 0.00 C ATOM 187 C ARG A 14 119.434 -16.313 5.662 1.00 0.00 C ATOM 188 O ARG A 14 120.300 -16.593 4.857 1.00 0.00 O ATOM 189 CB ARG A 14 119.621 -17.176 8.008 1.00 0.00 C ATOM 190 CG ARG A 14 120.707 -18.225 7.699 1.00 0.00 C ATOM 191 CD ARG A 14 122.013 -17.885 8.433 1.00 0.00 C ATOM 192 NE ARG A 14 122.978 -19.015 8.268 1.00 0.00 N ATOM 193 CZ ARG A 14 123.860 -19.271 9.198 1.00 0.00 C ATOM 194 NH1 ARG A 14 124.722 -18.358 9.552 1.00 0.00 N ATOM 195 NH2 ARG A 14 123.878 -20.443 9.774 1.00 0.00 N ATOM 0 H ARG A 14 118.393 -15.024 8.426 1.00 0.00 H new ATOM 0 HA ARG A 14 120.834 -15.621 7.155 1.00 0.00 H new ATOM 0 HB2 ARG A 14 119.681 -16.878 9.055 1.00 0.00 H new ATOM 0 HB3 ARG A 14 118.633 -17.610 7.856 1.00 0.00 H new ATOM 0 HG2 ARG A 14 120.361 -19.214 8.000 1.00 0.00 H new ATOM 0 HG3 ARG A 14 120.887 -18.264 6.625 1.00 0.00 H new ATOM 0 HD2 ARG A 14 122.440 -16.965 8.033 1.00 0.00 H new ATOM 0 HD3 ARG A 14 121.815 -17.711 9.491 1.00 0.00 H new ATOM 0 HE ARG A 14 122.948 -19.589 7.425 1.00 0.00 H new ATOM 0 HH11 ARG A 14 124.708 -17.442 9.103 1.00 0.00 H new ATOM 0 HH12 ARG A 14 125.409 -18.560 10.278 1.00 0.00 H new ATOM 0 HH21 ARG A 14 123.204 -21.157 9.498 1.00 0.00 H new ATOM 0 HH22 ARG A 14 124.566 -20.644 10.500 1.00 0.00 H new ATOM 209 N GLN A 15 118.169 -16.323 5.317 1.00 0.00 N ATOM 210 CA GLN A 15 117.804 -16.684 3.922 1.00 0.00 C ATOM 211 C GLN A 15 118.461 -15.681 2.959 1.00 0.00 C ATOM 212 O GLN A 15 118.796 -16.018 1.841 1.00 0.00 O ATOM 213 CB GLN A 15 116.264 -16.709 3.756 1.00 0.00 C ATOM 214 CG GLN A 15 115.718 -15.354 3.281 1.00 0.00 C ATOM 215 CD GLN A 15 114.241 -15.218 3.666 1.00 0.00 C ATOM 216 OE1 GLN A 15 113.380 -15.805 3.041 1.00 0.00 O ATOM 217 NE2 GLN A 15 113.913 -14.464 4.680 1.00 0.00 N ATOM 0 H GLN A 15 117.388 -16.100 5.934 1.00 0.00 H new ATOM 0 HA GLN A 15 118.170 -17.684 3.689 1.00 0.00 H new ATOM 0 HB2 GLN A 15 115.988 -17.483 3.040 1.00 0.00 H new ATOM 0 HB3 GLN A 15 115.801 -16.974 4.706 1.00 0.00 H new ATOM 0 HG2 GLN A 15 116.294 -14.544 3.728 1.00 0.00 H new ATOM 0 HG3 GLN A 15 115.830 -15.267 2.200 1.00 0.00 H new ATOM 0 HE21 GLN A 15 114.636 -13.972 5.204 1.00 0.00 H new ATOM 0 HE22 GLN A 15 112.934 -14.367 4.948 1.00 0.00 H new ATOM 226 N LEU A 16 118.642 -14.446 3.380 1.00 0.00 N ATOM 227 CA LEU A 16 119.270 -13.441 2.462 1.00 0.00 C ATOM 228 C LEU A 16 120.682 -13.908 2.110 1.00 0.00 C ATOM 229 O LEU A 16 121.110 -13.832 0.975 1.00 0.00 O ATOM 230 CB LEU A 16 119.379 -12.080 3.162 1.00 0.00 C ATOM 231 CG LEU A 16 117.996 -11.556 3.574 1.00 0.00 C ATOM 232 CD1 LEU A 16 118.161 -10.262 4.385 1.00 0.00 C ATOM 233 CD2 LEU A 16 117.151 -11.257 2.329 1.00 0.00 C ATOM 0 H LEU A 16 118.386 -14.097 4.304 1.00 0.00 H new ATOM 0 HA LEU A 16 118.655 -13.346 1.567 1.00 0.00 H new ATOM 0 HB2 LEU A 16 120.014 -12.171 4.043 1.00 0.00 H new ATOM 0 HB3 LEU A 16 119.859 -11.363 2.496 1.00 0.00 H new ATOM 0 HG LEU A 16 117.497 -12.315 4.176 1.00 0.00 H new ATOM 0 HD11 LEU A 16 117.180 -9.889 4.678 1.00 0.00 H new ATOM 0 HD12 LEU A 16 118.754 -10.465 5.277 1.00 0.00 H new ATOM 0 HD13 LEU A 16 118.667 -9.513 3.776 1.00 0.00 H new ATOM 0 HD21 LEU A 16 116.172 -10.886 2.634 1.00 0.00 H new ATOM 0 HD22 LEU A 16 117.652 -10.503 1.722 1.00 0.00 H new ATOM 0 HD23 LEU A 16 117.027 -12.169 1.745 1.00 0.00 H new ATOM 245 N TYR A 17 121.405 -14.403 3.075 1.00 0.00 N ATOM 246 CA TYR A 17 122.786 -14.891 2.800 1.00 0.00 C ATOM 247 C TYR A 17 122.710 -16.166 1.957 1.00 0.00 C ATOM 248 O TYR A 17 123.545 -16.417 1.112 1.00 0.00 O ATOM 249 CB TYR A 17 123.491 -15.200 4.125 1.00 0.00 C ATOM 250 CG TYR A 17 123.924 -13.918 4.800 1.00 0.00 C ATOM 251 CD1 TYR A 17 123.056 -13.254 5.675 1.00 0.00 C ATOM 252 CD2 TYR A 17 125.205 -13.405 4.561 1.00 0.00 C ATOM 253 CE1 TYR A 17 123.469 -12.076 6.310 1.00 0.00 C ATOM 254 CE2 TYR A 17 125.617 -12.226 5.194 1.00 0.00 C ATOM 255 CZ TYR A 17 124.750 -11.562 6.069 1.00 0.00 C ATOM 256 OH TYR A 17 125.158 -10.403 6.696 1.00 0.00 O ATOM 0 H TYR A 17 121.099 -14.491 4.044 1.00 0.00 H new ATOM 0 HA TYR A 17 123.344 -14.126 2.261 1.00 0.00 H new ATOM 0 HB2 TYR A 17 122.821 -15.756 4.781 1.00 0.00 H new ATOM 0 HB3 TYR A 17 124.358 -15.835 3.944 1.00 0.00 H new ATOM 0 HD1 TYR A 17 122.068 -13.650 5.860 1.00 0.00 H new ATOM 0 HD2 TYR A 17 125.875 -13.919 3.888 1.00 0.00 H new ATOM 0 HE1 TYR A 17 122.800 -11.564 6.986 1.00 0.00 H new ATOM 0 HE2 TYR A 17 126.604 -11.829 5.007 1.00 0.00 H new ATOM 0 HH TYR A 17 126.129 -10.427 6.828 1.00 0.00 H new ATOM 266 N GLU A 18 121.721 -16.982 2.199 1.00 0.00 N ATOM 267 CA GLU A 18 121.596 -18.259 1.432 1.00 0.00 C ATOM 268 C GLU A 18 121.172 -17.992 -0.018 1.00 0.00 C ATOM 269 O GLU A 18 121.106 -18.903 -0.820 1.00 0.00 O ATOM 270 CB GLU A 18 120.551 -19.155 2.096 1.00 0.00 C ATOM 271 CG GLU A 18 121.004 -19.508 3.514 1.00 0.00 C ATOM 272 CD GLU A 18 122.241 -20.405 3.445 1.00 0.00 C ATOM 273 OE1 GLU A 18 122.297 -21.237 2.553 1.00 0.00 O ATOM 274 OE2 GLU A 18 123.111 -20.248 4.285 1.00 0.00 O ATOM 0 H GLU A 18 120.992 -16.822 2.895 1.00 0.00 H new ATOM 0 HA GLU A 18 122.569 -18.750 1.429 1.00 0.00 H new ATOM 0 HB2 GLU A 18 119.588 -18.646 2.127 1.00 0.00 H new ATOM 0 HB3 GLU A 18 120.412 -20.064 1.511 1.00 0.00 H new ATOM 0 HG2 GLU A 18 121.231 -18.599 4.072 1.00 0.00 H new ATOM 0 HG3 GLU A 18 120.201 -20.017 4.048 1.00 0.00 H new ATOM 281 N ILE A 19 120.873 -16.772 -0.374 1.00 0.00 N ATOM 282 CA ILE A 19 120.447 -16.510 -1.780 1.00 0.00 C ATOM 283 C ILE A 19 121.524 -17.029 -2.740 1.00 0.00 C ATOM 284 O ILE A 19 121.219 -17.632 -3.748 1.00 0.00 O ATOM 285 CB ILE A 19 120.247 -15.004 -1.997 1.00 0.00 C ATOM 286 CG1 ILE A 19 119.034 -14.532 -1.189 1.00 0.00 C ATOM 287 CG2 ILE A 19 120.000 -14.733 -3.485 1.00 0.00 C ATOM 288 CD1 ILE A 19 118.973 -13.002 -1.198 1.00 0.00 C ATOM 0 H ILE A 19 120.904 -15.956 0.237 1.00 0.00 H new ATOM 0 HA ILE A 19 119.505 -17.023 -1.972 1.00 0.00 H new ATOM 0 HB ILE A 19 121.137 -14.467 -1.670 1.00 0.00 H new ATOM 0 HG12 ILE A 19 118.119 -14.945 -1.614 1.00 0.00 H new ATOM 0 HG13 ILE A 19 119.103 -14.897 -0.164 1.00 0.00 H new ATOM 0 HG21 ILE A 19 119.858 -13.664 -3.641 1.00 0.00 H new ATOM 0 HG22 ILE A 19 120.858 -15.073 -4.064 1.00 0.00 H new ATOM 0 HG23 ILE A 19 119.108 -15.269 -3.809 1.00 0.00 H new ATOM 0 HD11 ILE A 19 118.109 -12.669 -0.623 1.00 0.00 H new ATOM 0 HD12 ILE A 19 119.883 -12.599 -0.753 1.00 0.00 H new ATOM 0 HD13 ILE A 19 118.883 -12.647 -2.225 1.00 0.00 H new ATOM 300 N ASN A 20 122.776 -16.811 -2.430 1.00 0.00 N ATOM 301 CA ASN A 20 123.868 -17.296 -3.322 1.00 0.00 C ATOM 302 C ASN A 20 125.193 -17.238 -2.561 1.00 0.00 C ATOM 303 O ASN A 20 125.278 -16.688 -1.480 1.00 0.00 O ATOM 304 CB ASN A 20 123.962 -16.404 -4.567 1.00 0.00 C ATOM 305 CG ASN A 20 122.847 -16.763 -5.551 1.00 0.00 C ATOM 306 OD1 ASN A 20 122.563 -17.924 -5.767 1.00 0.00 O ATOM 307 ND2 ASN A 20 122.194 -15.809 -6.156 1.00 0.00 N ATOM 0 H ASN A 20 123.089 -16.316 -1.595 1.00 0.00 H new ATOM 0 HA ASN A 20 123.656 -18.320 -3.630 1.00 0.00 H new ATOM 0 HB2 ASN A 20 123.882 -15.355 -4.280 1.00 0.00 H new ATOM 0 HB3 ASN A 20 124.934 -16.531 -5.043 1.00 0.00 H new ATOM 0 HD21 ASN A 20 121.446 -16.038 -6.810 1.00 0.00 H new ATOM 0 HD22 ASN A 20 122.432 -14.834 -5.975 1.00 0.00 H new ATOM 314 N ASP A 21 126.229 -17.809 -3.113 1.00 0.00 N ATOM 315 CA ASP A 21 127.552 -17.800 -2.424 1.00 0.00 C ATOM 316 C ASP A 21 128.361 -16.592 -2.897 1.00 0.00 C ATOM 317 O ASP A 21 129.556 -16.517 -2.696 1.00 0.00 O ATOM 318 CB ASP A 21 128.312 -19.082 -2.766 1.00 0.00 C ATOM 319 CG ASP A 21 127.557 -20.288 -2.204 1.00 0.00 C ATOM 320 OD1 ASP A 21 127.051 -20.182 -1.098 1.00 0.00 O ATOM 321 OD2 ASP A 21 127.496 -21.296 -2.888 1.00 0.00 O ATOM 0 H ASP A 21 126.216 -18.284 -4.016 1.00 0.00 H new ATOM 0 HA ASP A 21 127.401 -17.741 -1.346 1.00 0.00 H new ATOM 0 HB2 ASP A 21 128.418 -19.177 -3.847 1.00 0.00 H new ATOM 0 HB3 ASP A 21 129.318 -19.043 -2.349 1.00 0.00 H new ATOM 326 N ASP A 22 127.720 -15.642 -3.523 1.00 0.00 N ATOM 327 CA ASP A 22 128.469 -14.445 -4.002 1.00 0.00 C ATOM 328 C ASP A 22 129.239 -13.837 -2.807 1.00 0.00 C ATOM 329 O ASP A 22 128.620 -13.370 -1.872 1.00 0.00 O ATOM 330 CB ASP A 22 127.473 -13.413 -4.536 1.00 0.00 C ATOM 331 CG ASP A 22 128.224 -12.331 -5.314 1.00 0.00 C ATOM 332 OD1 ASP A 22 128.986 -12.687 -6.199 1.00 0.00 O ATOM 333 OD2 ASP A 22 128.024 -11.166 -5.014 1.00 0.00 O ATOM 0 H ASP A 22 126.720 -15.642 -3.722 1.00 0.00 H new ATOM 0 HA ASP A 22 129.164 -14.726 -4.793 1.00 0.00 H new ATOM 0 HB2 ASP A 22 126.742 -13.899 -5.182 1.00 0.00 H new ATOM 0 HB3 ASP A 22 126.921 -12.964 -3.710 1.00 0.00 H new ATOM 338 N PRO A 23 130.566 -13.836 -2.798 1.00 0.00 N ATOM 339 CA PRO A 23 131.304 -13.260 -1.637 1.00 0.00 C ATOM 340 C PRO A 23 130.992 -11.769 -1.426 1.00 0.00 C ATOM 341 O PRO A 23 130.869 -11.304 -0.310 1.00 0.00 O ATOM 342 CB PRO A 23 132.785 -13.480 -2.018 1.00 0.00 C ATOM 343 CG PRO A 23 132.844 -14.180 -3.391 1.00 0.00 C ATOM 344 CD PRO A 23 131.406 -14.390 -3.903 1.00 0.00 C ATOM 0 HA PRO A 23 131.027 -13.729 -0.693 1.00 0.00 H new ATOM 0 HB2 PRO A 23 133.311 -12.526 -2.057 1.00 0.00 H new ATOM 0 HB3 PRO A 23 133.283 -14.087 -1.262 1.00 0.00 H new ATOM 0 HG2 PRO A 23 133.412 -13.576 -4.098 1.00 0.00 H new ATOM 0 HG3 PRO A 23 133.358 -15.138 -3.305 1.00 0.00 H new ATOM 0 HD2 PRO A 23 131.232 -13.865 -4.843 1.00 0.00 H new ATOM 0 HD3 PRO A 23 131.192 -15.444 -4.082 1.00 0.00 H new ATOM 352 N LYS A 24 130.871 -11.021 -2.487 1.00 0.00 N ATOM 353 CA LYS A 24 130.579 -9.568 -2.342 1.00 0.00 C ATOM 354 C LYS A 24 129.247 -9.382 -1.607 1.00 0.00 C ATOM 355 O LYS A 24 129.119 -8.540 -0.742 1.00 0.00 O ATOM 356 CB LYS A 24 130.494 -8.931 -3.733 1.00 0.00 C ATOM 357 CG LYS A 24 130.391 -7.410 -3.598 1.00 0.00 C ATOM 358 CD LYS A 24 130.156 -6.776 -4.975 1.00 0.00 C ATOM 359 CE LYS A 24 131.325 -7.093 -5.918 1.00 0.00 C ATOM 360 NZ LYS A 24 132.613 -7.014 -5.171 1.00 0.00 N ATOM 0 H LYS A 24 130.962 -11.353 -3.447 1.00 0.00 H new ATOM 0 HA LYS A 24 131.373 -9.090 -1.769 1.00 0.00 H new ATOM 0 HB2 LYS A 24 131.374 -9.195 -4.319 1.00 0.00 H new ATOM 0 HB3 LYS A 24 129.627 -9.318 -4.268 1.00 0.00 H new ATOM 0 HG2 LYS A 24 129.574 -7.151 -2.925 1.00 0.00 H new ATOM 0 HG3 LYS A 24 131.305 -7.013 -3.157 1.00 0.00 H new ATOM 0 HD2 LYS A 24 129.225 -7.151 -5.401 1.00 0.00 H new ATOM 0 HD3 LYS A 24 130.047 -5.696 -4.871 1.00 0.00 H new ATOM 0 HE2 LYS A 24 131.201 -8.089 -6.343 1.00 0.00 H new ATOM 0 HE3 LYS A 24 131.333 -6.390 -6.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 133.397 -6.890 -5.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 132.586 -6.205 -4.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 132.755 -7.891 -4.631 1.00 0.00 H new ATOM 374 N ARG A 25 128.257 -10.162 -1.944 1.00 0.00 N ATOM 375 CA ARG A 25 126.937 -10.030 -1.262 1.00 0.00 C ATOM 376 C ARG A 25 127.099 -10.314 0.233 1.00 0.00 C ATOM 377 O ARG A 25 126.541 -9.632 1.070 1.00 0.00 O ATOM 378 CB ARG A 25 125.955 -11.037 -1.862 1.00 0.00 C ATOM 379 CG ARG A 25 124.568 -10.851 -1.238 1.00 0.00 C ATOM 380 CD ARG A 25 123.598 -11.863 -1.848 1.00 0.00 C ATOM 381 NE ARG A 25 123.373 -11.536 -3.289 1.00 0.00 N ATOM 382 CZ ARG A 25 122.379 -10.765 -3.642 1.00 0.00 C ATOM 383 NH1 ARG A 25 121.179 -11.005 -3.193 1.00 0.00 N ATOM 384 NH2 ARG A 25 122.586 -9.759 -4.447 1.00 0.00 N ATOM 0 H ARG A 25 128.304 -10.885 -2.662 1.00 0.00 H new ATOM 0 HA ARG A 25 126.558 -9.017 -1.400 1.00 0.00 H new ATOM 0 HB2 ARG A 25 125.898 -10.903 -2.942 1.00 0.00 H new ATOM 0 HB3 ARG A 25 126.309 -12.053 -1.685 1.00 0.00 H new ATOM 0 HG2 ARG A 25 124.622 -10.987 -0.158 1.00 0.00 H new ATOM 0 HG3 ARG A 25 124.211 -9.836 -1.414 1.00 0.00 H new ATOM 0 HD2 ARG A 25 124.001 -12.871 -1.752 1.00 0.00 H new ATOM 0 HD3 ARG A 25 122.651 -11.845 -1.308 1.00 0.00 H new ATOM 0 HE ARG A 25 123.998 -11.916 -4.000 1.00 0.00 H new ATOM 0 HH11 ARG A 25 121.017 -11.794 -2.567 1.00 0.00 H new ATOM 0 HH12 ARG A 25 120.402 -10.404 -3.468 1.00 0.00 H new ATOM 0 HH21 ARG A 25 123.524 -9.574 -4.801 1.00 0.00 H new ATOM 0 HH22 ARG A 25 121.809 -9.158 -4.722 1.00 0.00 H new ATOM 398 N LYS A 26 127.851 -11.324 0.572 1.00 0.00 N ATOM 399 CA LYS A 26 128.041 -11.664 2.008 1.00 0.00 C ATOM 400 C LYS A 26 128.674 -10.478 2.742 1.00 0.00 C ATOM 401 O LYS A 26 128.253 -10.110 3.821 1.00 0.00 O ATOM 402 CB LYS A 26 128.956 -12.889 2.108 1.00 0.00 C ATOM 403 CG LYS A 26 129.163 -13.270 3.575 1.00 0.00 C ATOM 404 CD LYS A 26 130.022 -14.534 3.648 1.00 0.00 C ATOM 405 CE LYS A 26 130.441 -14.785 5.096 1.00 0.00 C ATOM 406 NZ LYS A 26 129.301 -14.482 6.006 1.00 0.00 N ATOM 0 H LYS A 26 128.343 -11.929 -0.086 1.00 0.00 H new ATOM 0 HA LYS A 26 127.078 -11.886 2.467 1.00 0.00 H new ATOM 0 HB2 LYS A 26 128.517 -13.726 1.565 1.00 0.00 H new ATOM 0 HB3 LYS A 26 129.917 -12.674 1.641 1.00 0.00 H new ATOM 0 HG2 LYS A 26 129.649 -12.454 4.110 1.00 0.00 H new ATOM 0 HG3 LYS A 26 128.201 -13.441 4.058 1.00 0.00 H new ATOM 0 HD2 LYS A 26 129.463 -15.389 3.267 1.00 0.00 H new ATOM 0 HD3 LYS A 26 130.904 -14.424 3.017 1.00 0.00 H new ATOM 0 HE2 LYS A 26 130.753 -15.822 5.220 1.00 0.00 H new ATOM 0 HE3 LYS A 26 131.298 -14.162 5.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 129.450 -14.956 6.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 129.240 -13.455 6.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 128.416 -14.823 5.579 1.00 0.00 H new ATOM 420 N GLU A 27 129.684 -9.882 2.171 1.00 0.00 N ATOM 421 CA GLU A 27 130.343 -8.725 2.843 1.00 0.00 C ATOM 422 C GLU A 27 129.370 -7.545 2.952 1.00 0.00 C ATOM 423 O GLU A 27 129.320 -6.866 3.959 1.00 0.00 O ATOM 424 CB GLU A 27 131.568 -8.298 2.031 1.00 0.00 C ATOM 425 CG GLU A 27 132.660 -9.365 2.142 1.00 0.00 C ATOM 426 CD GLU A 27 133.235 -9.362 3.560 1.00 0.00 C ATOM 427 OE1 GLU A 27 133.071 -8.364 4.242 1.00 0.00 O ATOM 428 OE2 GLU A 27 133.833 -10.357 3.937 1.00 0.00 O ATOM 0 H GLU A 27 130.082 -10.145 1.269 1.00 0.00 H new ATOM 0 HA GLU A 27 130.647 -9.026 3.846 1.00 0.00 H new ATOM 0 HB2 GLU A 27 131.292 -8.154 0.986 1.00 0.00 H new ATOM 0 HB3 GLU A 27 131.943 -7.342 2.396 1.00 0.00 H new ATOM 0 HG2 GLU A 27 132.249 -10.347 1.907 1.00 0.00 H new ATOM 0 HG3 GLU A 27 133.450 -9.168 1.417 1.00 0.00 H new ATOM 435 N PHE A 28 128.602 -7.287 1.926 1.00 0.00 N ATOM 436 CA PHE A 28 127.646 -6.147 1.980 1.00 0.00 C ATOM 437 C PHE A 28 126.649 -6.337 3.131 1.00 0.00 C ATOM 438 O PHE A 28 126.420 -5.440 3.918 1.00 0.00 O ATOM 439 CB PHE A 28 126.888 -6.062 0.655 1.00 0.00 C ATOM 440 CG PHE A 28 125.771 -5.055 0.782 1.00 0.00 C ATOM 441 CD1 PHE A 28 124.559 -5.448 1.354 1.00 0.00 C ATOM 442 CD2 PHE A 28 125.952 -3.733 0.360 1.00 0.00 C ATOM 443 CE1 PHE A 28 123.523 -4.527 1.503 1.00 0.00 C ATOM 444 CE2 PHE A 28 124.914 -2.804 0.515 1.00 0.00 C ATOM 445 CZ PHE A 28 123.698 -3.205 1.087 1.00 0.00 C ATOM 0 H PHE A 28 128.597 -7.817 1.055 1.00 0.00 H new ATOM 0 HA PHE A 28 128.202 -5.225 2.149 1.00 0.00 H new ATOM 0 HB2 PHE A 28 127.566 -5.770 -0.147 1.00 0.00 H new ATOM 0 HB3 PHE A 28 126.484 -7.039 0.391 1.00 0.00 H new ATOM 0 HD1 PHE A 28 124.424 -6.468 1.682 1.00 0.00 H new ATOM 0 HD2 PHE A 28 126.889 -3.430 -0.084 1.00 0.00 H new ATOM 0 HE1 PHE A 28 122.585 -4.836 1.940 1.00 0.00 H new ATOM 0 HE2 PHE A 28 125.050 -1.782 0.195 1.00 0.00 H new ATOM 0 HZ PHE A 28 122.896 -2.491 1.206 1.00 0.00 H new ATOM 455 N LEU A 29 126.035 -7.488 3.220 1.00 0.00 N ATOM 456 CA LEU A 29 125.036 -7.709 4.303 1.00 0.00 C ATOM 457 C LEU A 29 125.724 -7.537 5.652 1.00 0.00 C ATOM 458 O LEU A 29 125.223 -6.872 6.535 1.00 0.00 O ATOM 459 CB LEU A 29 124.474 -9.133 4.200 1.00 0.00 C ATOM 460 CG LEU A 29 123.645 -9.293 2.909 1.00 0.00 C ATOM 461 CD1 LEU A 29 123.602 -10.774 2.509 1.00 0.00 C ATOM 462 CD2 LEU A 29 122.203 -8.788 3.127 1.00 0.00 C ATOM 0 H LEU A 29 126.182 -8.279 2.593 1.00 0.00 H new ATOM 0 HA LEU A 29 124.222 -6.991 4.205 1.00 0.00 H new ATOM 0 HB2 LEU A 29 125.291 -9.854 4.207 1.00 0.00 H new ATOM 0 HB3 LEU A 29 123.851 -9.349 5.068 1.00 0.00 H new ATOM 0 HG LEU A 29 124.113 -8.705 2.119 1.00 0.00 H new ATOM 0 HD11 LEU A 29 123.016 -10.888 1.597 1.00 0.00 H new ATOM 0 HD12 LEU A 29 124.616 -11.134 2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 29 123.143 -11.354 3.310 1.00 0.00 H new ATOM 0 HD21 LEU A 29 121.632 -8.908 2.206 1.00 0.00 H new ATOM 0 HD22 LEU A 29 121.732 -9.364 3.924 1.00 0.00 H new ATOM 0 HD23 LEU A 29 122.225 -7.734 3.405 1.00 0.00 H new ATOM 474 N ASP A 30 126.879 -8.110 5.816 1.00 0.00 N ATOM 475 CA ASP A 30 127.589 -7.953 7.108 1.00 0.00 C ATOM 476 C ASP A 30 127.824 -6.463 7.340 1.00 0.00 C ATOM 477 O ASP A 30 127.691 -5.964 8.438 1.00 0.00 O ATOM 478 CB ASP A 30 128.931 -8.689 7.051 1.00 0.00 C ATOM 479 CG ASP A 30 129.665 -8.528 8.383 1.00 0.00 C ATOM 480 OD1 ASP A 30 129.273 -7.668 9.155 1.00 0.00 O ATOM 481 OD2 ASP A 30 130.605 -9.272 8.612 1.00 0.00 O ATOM 0 H ASP A 30 127.359 -8.676 5.116 1.00 0.00 H new ATOM 0 HA ASP A 30 126.996 -8.372 7.921 1.00 0.00 H new ATOM 0 HB2 ASP A 30 128.768 -9.746 6.840 1.00 0.00 H new ATOM 0 HB3 ASP A 30 129.540 -8.292 6.239 1.00 0.00 H new ATOM 486 N ASP A 31 128.168 -5.745 6.303 1.00 0.00 N ATOM 487 CA ASP A 31 128.409 -4.284 6.453 1.00 0.00 C ATOM 488 C ASP A 31 127.087 -3.549 6.722 1.00 0.00 C ATOM 489 O ASP A 31 126.973 -2.799 7.669 1.00 0.00 O ATOM 490 CB ASP A 31 129.043 -3.744 5.171 1.00 0.00 C ATOM 491 CG ASP A 31 129.463 -2.290 5.386 1.00 0.00 C ATOM 492 OD1 ASP A 31 128.962 -1.681 6.317 1.00 0.00 O ATOM 493 OD2 ASP A 31 130.276 -1.809 4.614 1.00 0.00 O ATOM 0 H ASP A 31 128.292 -6.110 5.359 1.00 0.00 H new ATOM 0 HA ASP A 31 129.080 -4.119 7.296 1.00 0.00 H new ATOM 0 HB2 ASP A 31 129.909 -4.348 4.898 1.00 0.00 H new ATOM 0 HB3 ASP A 31 128.334 -3.811 4.345 1.00 0.00 H new ATOM 498 N LEU A 32 126.084 -3.745 5.901 1.00 0.00 N ATOM 499 CA LEU A 32 124.789 -3.037 6.145 1.00 0.00 C ATOM 500 C LEU A 32 124.233 -3.429 7.517 1.00 0.00 C ATOM 501 O LEU A 32 123.895 -2.580 8.319 1.00 0.00 O ATOM 502 CB LEU A 32 123.784 -3.381 5.030 1.00 0.00 C ATOM 503 CG LEU A 32 122.378 -2.878 5.395 1.00 0.00 C ATOM 504 CD1 LEU A 32 122.420 -1.385 5.738 1.00 0.00 C ATOM 505 CD2 LEU A 32 121.447 -3.097 4.202 1.00 0.00 C ATOM 0 H LEU A 32 126.104 -4.355 5.084 1.00 0.00 H new ATOM 0 HA LEU A 32 124.959 -1.960 6.135 1.00 0.00 H new ATOM 0 HB2 LEU A 32 124.105 -2.930 4.091 1.00 0.00 H new ATOM 0 HB3 LEU A 32 123.761 -4.459 4.874 1.00 0.00 H new ATOM 0 HG LEU A 32 122.014 -3.429 6.262 1.00 0.00 H new ATOM 0 HD11 LEU A 32 121.418 -1.042 5.994 1.00 0.00 H new ATOM 0 HD12 LEU A 32 123.086 -1.225 6.586 1.00 0.00 H new ATOM 0 HD13 LEU A 32 122.786 -0.824 4.878 1.00 0.00 H new ATOM 0 HD21 LEU A 32 120.447 -2.743 4.451 1.00 0.00 H new ATOM 0 HD22 LEU A 32 121.823 -2.545 3.341 1.00 0.00 H new ATOM 0 HD23 LEU A 32 121.407 -4.160 3.962 1.00 0.00 H new ATOM 517 N PHE A 33 124.149 -4.696 7.815 1.00 0.00 N ATOM 518 CA PHE A 33 123.627 -5.092 9.154 1.00 0.00 C ATOM 519 C PHE A 33 124.557 -4.526 10.233 1.00 0.00 C ATOM 520 O PHE A 33 124.128 -4.150 11.302 1.00 0.00 O ATOM 521 CB PHE A 33 123.543 -6.620 9.282 1.00 0.00 C ATOM 522 CG PHE A 33 122.351 -7.148 8.495 1.00 0.00 C ATOM 523 CD1 PHE A 33 121.040 -6.752 8.827 1.00 0.00 C ATOM 524 CD2 PHE A 33 122.558 -8.031 7.424 1.00 0.00 C ATOM 525 CE1 PHE A 33 119.954 -7.241 8.083 1.00 0.00 C ATOM 526 CE2 PHE A 33 121.471 -8.512 6.687 1.00 0.00 C ATOM 527 CZ PHE A 33 120.170 -8.118 7.013 1.00 0.00 C ATOM 0 H PHE A 33 124.415 -5.465 7.200 1.00 0.00 H new ATOM 0 HA PHE A 33 122.621 -4.691 9.278 1.00 0.00 H new ATOM 0 HB2 PHE A 33 124.462 -7.074 8.913 1.00 0.00 H new ATOM 0 HB3 PHE A 33 123.448 -6.900 10.331 1.00 0.00 H new ATOM 0 HD1 PHE A 33 120.871 -6.075 9.651 1.00 0.00 H new ATOM 0 HD2 PHE A 33 123.561 -8.340 7.168 1.00 0.00 H new ATOM 0 HE1 PHE A 33 118.949 -6.940 8.337 1.00 0.00 H new ATOM 0 HE2 PHE A 33 121.637 -9.190 5.863 1.00 0.00 H new ATOM 0 HZ PHE A 33 119.333 -8.489 6.441 1.00 0.00 H new ATOM 537 N SER A 34 125.836 -4.477 9.967 1.00 0.00 N ATOM 538 CA SER A 34 126.787 -3.940 10.984 1.00 0.00 C ATOM 539 C SER A 34 126.452 -2.474 11.306 1.00 0.00 C ATOM 540 O SER A 34 126.357 -2.090 12.455 1.00 0.00 O ATOM 541 CB SER A 34 128.218 -4.025 10.444 1.00 0.00 C ATOM 542 OG SER A 34 128.660 -5.374 10.497 1.00 0.00 O ATOM 0 H SER A 34 126.262 -4.784 9.093 1.00 0.00 H new ATOM 0 HA SER A 34 126.700 -4.534 11.894 1.00 0.00 H new ATOM 0 HB2 SER A 34 128.254 -3.658 9.418 1.00 0.00 H new ATOM 0 HB3 SER A 34 128.880 -3.390 11.033 1.00 0.00 H new ATOM 0 HG SER A 34 128.690 -5.744 9.590 1.00 0.00 H new ATOM 548 N PHE A 35 126.289 -1.648 10.302 1.00 0.00 N ATOM 549 CA PHE A 35 125.982 -0.205 10.558 1.00 0.00 C ATOM 550 C PHE A 35 124.675 -0.055 11.346 1.00 0.00 C ATOM 551 O PHE A 35 124.648 0.539 12.405 1.00 0.00 O ATOM 552 CB PHE A 35 125.844 0.526 9.221 1.00 0.00 C ATOM 553 CG PHE A 35 125.483 1.971 9.472 1.00 0.00 C ATOM 554 CD1 PHE A 35 124.137 2.346 9.564 1.00 0.00 C ATOM 555 CD2 PHE A 35 126.490 2.932 9.620 1.00 0.00 C ATOM 556 CE1 PHE A 35 123.798 3.682 9.801 1.00 0.00 C ATOM 557 CE2 PHE A 35 126.149 4.270 9.857 1.00 0.00 C ATOM 558 CZ PHE A 35 124.804 4.645 9.948 1.00 0.00 C ATOM 0 H PHE A 35 126.355 -1.909 9.318 1.00 0.00 H new ATOM 0 HA PHE A 35 126.795 0.223 11.144 1.00 0.00 H new ATOM 0 HB2 PHE A 35 126.778 0.465 8.663 1.00 0.00 H new ATOM 0 HB3 PHE A 35 125.077 0.049 8.611 1.00 0.00 H new ATOM 0 HD1 PHE A 35 123.361 1.604 9.452 1.00 0.00 H new ATOM 0 HD2 PHE A 35 127.528 2.642 9.552 1.00 0.00 H new ATOM 0 HE1 PHE A 35 122.760 3.971 9.871 1.00 0.00 H new ATOM 0 HE2 PHE A 35 126.925 5.013 9.970 1.00 0.00 H new ATOM 0 HZ PHE A 35 124.542 5.677 10.131 1.00 0.00 H new ATOM 568 N MET A 36 123.592 -0.584 10.842 1.00 0.00 N ATOM 569 CA MET A 36 122.297 -0.459 11.575 1.00 0.00 C ATOM 570 C MET A 36 122.377 -1.220 12.902 1.00 0.00 C ATOM 571 O MET A 36 121.526 -1.087 13.758 1.00 0.00 O ATOM 572 CB MET A 36 121.156 -1.025 10.718 1.00 0.00 C ATOM 573 CG MET A 36 121.529 -2.428 10.182 1.00 0.00 C ATOM 574 SD MET A 36 120.213 -3.613 10.566 1.00 0.00 S ATOM 575 CE MET A 36 118.851 -2.762 9.726 1.00 0.00 C ATOM 0 H MET A 36 123.547 -1.094 9.960 1.00 0.00 H new ATOM 0 HA MET A 36 122.102 0.594 11.778 1.00 0.00 H new ATOM 0 HB2 MET A 36 120.243 -1.086 11.311 1.00 0.00 H new ATOM 0 HB3 MET A 36 120.951 -0.353 9.885 1.00 0.00 H new ATOM 0 HG2 MET A 36 121.686 -2.384 9.104 1.00 0.00 H new ATOM 0 HG3 MET A 36 122.467 -2.758 10.628 1.00 0.00 H new ATOM 0 HE1 MET A 36 118.089 -2.487 10.455 1.00 0.00 H new ATOM 0 HE2 MET A 36 119.229 -1.863 9.240 1.00 0.00 H new ATOM 0 HE3 MET A 36 118.415 -3.423 8.977 1.00 0.00 H new ATOM 585 N GLN A 37 123.392 -2.021 13.075 1.00 0.00 N ATOM 586 CA GLN A 37 123.527 -2.800 14.342 1.00 0.00 C ATOM 587 C GLN A 37 123.424 -1.846 15.534 1.00 0.00 C ATOM 588 O GLN A 37 123.317 -2.268 16.669 1.00 0.00 O ATOM 589 CB GLN A 37 124.889 -3.507 14.376 1.00 0.00 C ATOM 590 CG GLN A 37 124.860 -4.655 15.391 1.00 0.00 C ATOM 591 CD GLN A 37 123.974 -5.784 14.861 1.00 0.00 C ATOM 592 OE1 GLN A 37 124.139 -6.224 13.740 1.00 0.00 O ATOM 593 NE2 GLN A 37 123.037 -6.280 15.622 1.00 0.00 N ATOM 0 H GLN A 37 124.136 -2.171 12.393 1.00 0.00 H new ATOM 0 HA GLN A 37 122.733 -3.545 14.393 1.00 0.00 H new ATOM 0 HB2 GLN A 37 125.132 -3.892 13.386 1.00 0.00 H new ATOM 0 HB3 GLN A 37 125.671 -2.795 14.642 1.00 0.00 H new ATOM 0 HG2 GLN A 37 125.870 -5.024 15.567 1.00 0.00 H new ATOM 0 HG3 GLN A 37 124.479 -4.299 16.348 1.00 0.00 H new ATOM 0 HE21 GLN A 37 122.897 -5.913 16.563 1.00 0.00 H new ATOM 0 HE22 GLN A 37 122.445 -7.035 15.276 1.00 0.00 H new ATOM 602 N LYS A 38 123.458 -0.563 15.291 1.00 0.00 N ATOM 603 CA LYS A 38 123.365 0.404 16.422 1.00 0.00 C ATOM 604 C LYS A 38 122.148 0.037 17.273 1.00 0.00 C ATOM 605 O LYS A 38 122.251 -0.138 18.471 1.00 0.00 O ATOM 606 CB LYS A 38 123.198 1.817 15.860 1.00 0.00 C ATOM 607 CG LYS A 38 123.259 2.838 16.997 1.00 0.00 C ATOM 608 CD LYS A 38 123.091 4.247 16.422 1.00 0.00 C ATOM 609 CE LYS A 38 123.247 5.281 17.537 1.00 0.00 C ATOM 610 NZ LYS A 38 124.640 5.234 18.067 1.00 0.00 N ATOM 0 H LYS A 38 123.546 -0.145 14.365 1.00 0.00 H new ATOM 0 HA LYS A 38 124.267 0.366 17.032 1.00 0.00 H new ATOM 0 HB2 LYS A 38 123.982 2.023 15.131 1.00 0.00 H new ATOM 0 HB3 LYS A 38 122.246 1.899 15.336 1.00 0.00 H new ATOM 0 HG2 LYS A 38 122.475 2.635 17.726 1.00 0.00 H new ATOM 0 HG3 LYS A 38 124.211 2.758 17.522 1.00 0.00 H new ATOM 0 HD2 LYS A 38 123.833 4.423 15.643 1.00 0.00 H new ATOM 0 HD3 LYS A 38 122.110 4.346 15.956 1.00 0.00 H new ATOM 0 HE2 LYS A 38 123.025 6.278 17.157 1.00 0.00 H new ATOM 0 HE3 LYS A 38 122.535 5.079 18.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 124.871 6.143 18.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 124.719 4.470 18.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 125.303 5.056 17.286 1.00 0.00 H new ATOM 624 N ARG A 39 121.006 -0.128 16.664 1.00 0.00 N ATOM 625 CA ARG A 39 119.809 -0.536 17.450 1.00 0.00 C ATOM 626 C ARG A 39 120.024 -1.984 17.887 1.00 0.00 C ATOM 627 O ARG A 39 119.617 -2.393 18.957 1.00 0.00 O ATOM 628 CB ARG A 39 118.546 -0.427 16.590 1.00 0.00 C ATOM 629 CG ARG A 39 118.336 1.025 16.136 1.00 0.00 C ATOM 630 CD ARG A 39 117.782 1.880 17.281 1.00 0.00 C ATOM 631 NE ARG A 39 117.369 3.204 16.734 1.00 0.00 N ATOM 632 CZ ARG A 39 117.000 4.160 17.540 1.00 0.00 C ATOM 633 NH1 ARG A 39 115.862 4.077 18.173 1.00 0.00 N ATOM 634 NH2 ARG A 39 117.767 5.201 17.710 1.00 0.00 N ATOM 0 H ARG A 39 120.851 0.001 15.664 1.00 0.00 H new ATOM 0 HA ARG A 39 119.679 0.114 18.316 1.00 0.00 H new ATOM 0 HB2 ARG A 39 118.632 -1.079 15.720 1.00 0.00 H new ATOM 0 HB3 ARG A 39 117.680 -0.767 17.158 1.00 0.00 H new ATOM 0 HG2 ARG A 39 119.281 1.442 15.789 1.00 0.00 H new ATOM 0 HG3 ARG A 39 117.647 1.050 15.291 1.00 0.00 H new ATOM 0 HD2 ARG A 39 116.932 1.382 17.747 1.00 0.00 H new ATOM 0 HD3 ARG A 39 118.538 2.010 18.055 1.00 0.00 H new ATOM 0 HE ARG A 39 117.375 3.362 15.726 1.00 0.00 H new ATOM 0 HH11 ARG A 39 115.261 3.264 18.037 1.00 0.00 H new ATOM 0 HH12 ARG A 39 115.573 4.825 18.804 1.00 0.00 H new ATOM 0 HH21 ARG A 39 118.655 5.267 17.212 1.00 0.00 H new ATOM 0 HH22 ARG A 39 117.479 5.949 18.340 1.00 0.00 H new ATOM 648 N GLY A 40 120.692 -2.756 17.063 1.00 0.00 N ATOM 649 CA GLY A 40 120.984 -4.183 17.408 1.00 0.00 C ATOM 650 C GLY A 40 120.061 -5.137 16.641 1.00 0.00 C ATOM 651 O GLY A 40 120.293 -6.330 16.622 1.00 0.00 O ATOM 0 H GLY A 40 121.051 -2.455 16.157 1.00 0.00 H new ATOM 0 HA2 GLY A 40 122.024 -4.411 17.174 1.00 0.00 H new ATOM 0 HA3 GLY A 40 120.858 -4.334 18.480 1.00 0.00 H new ATOM 655 N THR A 41 119.016 -4.637 16.018 1.00 0.00 N ATOM 656 CA THR A 41 118.076 -5.541 15.261 1.00 0.00 C ATOM 657 C THR A 41 118.168 -5.271 13.745 1.00 0.00 C ATOM 658 O THR A 41 118.501 -4.179 13.332 1.00 0.00 O ATOM 659 CB THR A 41 116.638 -5.279 15.747 1.00 0.00 C ATOM 660 OG1 THR A 41 116.500 -3.903 16.074 1.00 0.00 O ATOM 661 CG2 THR A 41 116.343 -6.130 16.985 1.00 0.00 C ATOM 0 H THR A 41 118.772 -3.647 15.999 1.00 0.00 H new ATOM 0 HA THR A 41 118.352 -6.580 15.443 1.00 0.00 H new ATOM 0 HB THR A 41 115.935 -5.544 14.957 1.00 0.00 H new ATOM 0 HG1 THR A 41 115.586 -3.730 16.382 1.00 0.00 H new ATOM 0 HG21 THR A 41 115.324 -5.940 17.323 1.00 0.00 H new ATOM 0 HG22 THR A 41 116.451 -7.185 16.735 1.00 0.00 H new ATOM 0 HG23 THR A 41 117.043 -5.872 17.779 1.00 0.00 H new ATOM 669 N PRO A 42 117.862 -6.258 12.914 1.00 0.00 N ATOM 670 CA PRO A 42 117.914 -6.061 11.436 1.00 0.00 C ATOM 671 C PRO A 42 117.020 -4.898 10.968 1.00 0.00 C ATOM 672 O PRO A 42 116.732 -3.979 11.708 1.00 0.00 O ATOM 673 CB PRO A 42 117.395 -7.414 10.892 1.00 0.00 C ATOM 674 CG PRO A 42 117.044 -8.328 12.081 1.00 0.00 C ATOM 675 CD PRO A 42 117.461 -7.621 13.379 1.00 0.00 C ATOM 0 HA PRO A 42 118.912 -5.798 11.084 1.00 0.00 H new ATOM 0 HB2 PRO A 42 116.517 -7.257 10.266 1.00 0.00 H new ATOM 0 HB3 PRO A 42 118.153 -7.884 10.266 1.00 0.00 H new ATOM 0 HG2 PRO A 42 115.975 -8.541 12.092 1.00 0.00 H new ATOM 0 HG3 PRO A 42 117.559 -9.284 11.988 1.00 0.00 H new ATOM 0 HD2 PRO A 42 116.640 -7.577 14.095 1.00 0.00 H new ATOM 0 HD3 PRO A 42 118.285 -8.137 13.871 1.00 0.00 H new ATOM 683 N ILE A 43 116.581 -4.952 9.740 1.00 0.00 N ATOM 684 CA ILE A 43 115.703 -3.879 9.195 1.00 0.00 C ATOM 685 C ILE A 43 114.327 -3.973 9.875 1.00 0.00 C ATOM 686 O ILE A 43 114.209 -4.491 10.967 1.00 0.00 O ATOM 687 CB ILE A 43 115.617 -4.074 7.657 1.00 0.00 C ATOM 688 CG1 ILE A 43 115.411 -2.710 6.955 1.00 0.00 C ATOM 689 CG2 ILE A 43 114.477 -5.045 7.276 1.00 0.00 C ATOM 690 CD1 ILE A 43 116.767 -2.021 6.734 1.00 0.00 C ATOM 0 H ILE A 43 116.796 -5.703 9.084 1.00 0.00 H new ATOM 0 HA ILE A 43 116.099 -2.883 9.395 1.00 0.00 H new ATOM 0 HB ILE A 43 116.558 -4.511 7.322 1.00 0.00 H new ATOM 0 HG12 ILE A 43 114.908 -2.856 5.999 1.00 0.00 H new ATOM 0 HG13 ILE A 43 114.765 -2.074 7.561 1.00 0.00 H new ATOM 0 HG21 ILE A 43 114.444 -5.160 6.193 1.00 0.00 H new ATOM 0 HG22 ILE A 43 114.656 -6.016 7.738 1.00 0.00 H new ATOM 0 HG23 ILE A 43 113.526 -4.645 7.628 1.00 0.00 H new ATOM 0 HD11 ILE A 43 116.612 -1.062 6.240 1.00 0.00 H new ATOM 0 HD12 ILE A 43 117.254 -1.859 7.696 1.00 0.00 H new ATOM 0 HD13 ILE A 43 117.399 -2.653 6.110 1.00 0.00 H new ATOM 702 N ASN A 44 113.287 -3.480 9.256 1.00 0.00 N ATOM 703 CA ASN A 44 111.943 -3.559 9.901 1.00 0.00 C ATOM 704 C ASN A 44 111.311 -4.922 9.613 1.00 0.00 C ATOM 705 O ASN A 44 111.171 -5.744 10.496 1.00 0.00 O ATOM 706 CB ASN A 44 111.034 -2.458 9.352 1.00 0.00 C ATOM 707 CG ASN A 44 109.673 -2.536 10.047 1.00 0.00 C ATOM 708 OD1 ASN A 44 109.534 -3.191 11.061 1.00 0.00 O ATOM 709 ND2 ASN A 44 108.655 -1.894 9.542 1.00 0.00 N ATOM 0 H ASN A 44 113.308 -3.030 8.341 1.00 0.00 H new ATOM 0 HA ASN A 44 112.061 -3.429 10.977 1.00 0.00 H new ATOM 0 HB2 ASN A 44 111.486 -1.480 9.519 1.00 0.00 H new ATOM 0 HB3 ASN A 44 110.913 -2.573 8.275 1.00 0.00 H new ATOM 0 HD21 ASN A 44 107.744 -1.942 9.998 1.00 0.00 H new ATOM 0 HD22 ASN A 44 108.770 -1.344 8.691 1.00 0.00 H new ATOM 716 N ARG A 45 110.920 -5.175 8.388 1.00 0.00 N ATOM 717 CA ARG A 45 110.292 -6.496 8.064 1.00 0.00 C ATOM 718 C ARG A 45 110.673 -6.937 6.646 1.00 0.00 C ATOM 719 O ARG A 45 110.910 -6.129 5.769 1.00 0.00 O ATOM 720 CB ARG A 45 108.770 -6.376 8.172 1.00 0.00 C ATOM 721 CG ARG A 45 108.380 -6.205 9.643 1.00 0.00 C ATOM 722 CD ARG A 45 106.856 -6.224 9.776 1.00 0.00 C ATOM 723 NE ARG A 45 106.278 -5.040 9.082 1.00 0.00 N ATOM 724 CZ ARG A 45 104.984 -4.889 9.026 1.00 0.00 C ATOM 725 NH1 ARG A 45 104.205 -5.937 9.011 1.00 0.00 N ATOM 726 NH2 ARG A 45 104.466 -3.692 8.984 1.00 0.00 N ATOM 0 H ARG A 45 111.007 -4.530 7.603 1.00 0.00 H new ATOM 0 HA ARG A 45 110.654 -7.242 8.772 1.00 0.00 H new ATOM 0 HB2 ARG A 45 108.418 -5.525 7.589 1.00 0.00 H new ATOM 0 HB3 ARG A 45 108.293 -7.265 7.758 1.00 0.00 H new ATOM 0 HG2 ARG A 45 108.817 -7.005 10.241 1.00 0.00 H new ATOM 0 HG3 ARG A 45 108.777 -5.266 10.028 1.00 0.00 H new ATOM 0 HD2 ARG A 45 106.455 -7.142 9.346 1.00 0.00 H new ATOM 0 HD3 ARG A 45 106.573 -6.215 10.829 1.00 0.00 H new ATOM 0 HE ARG A 45 106.893 -4.349 8.652 1.00 0.00 H new ATOM 0 HH11 ARG A 45 104.609 -6.873 9.043 1.00 0.00 H new ATOM 0 HH12 ARG A 45 103.193 -5.819 8.967 1.00 0.00 H new ATOM 0 HH21 ARG A 45 105.074 -2.873 8.995 1.00 0.00 H new ATOM 0 HH22 ARG A 45 103.454 -3.576 8.940 1.00 0.00 H new ATOM 740 N LEU A 46 110.724 -8.226 6.426 1.00 0.00 N ATOM 741 CA LEU A 46 111.080 -8.778 5.080 1.00 0.00 C ATOM 742 C LEU A 46 110.053 -9.861 4.707 1.00 0.00 C ATOM 743 O LEU A 46 110.272 -11.023 4.982 1.00 0.00 O ATOM 744 CB LEU A 46 112.464 -9.432 5.144 1.00 0.00 C ATOM 745 CG LEU A 46 113.533 -8.388 5.518 1.00 0.00 C ATOM 746 CD1 LEU A 46 114.760 -9.100 6.101 1.00 0.00 C ATOM 747 CD2 LEU A 46 113.955 -7.594 4.272 1.00 0.00 C ATOM 0 H LEU A 46 110.531 -8.934 7.135 1.00 0.00 H new ATOM 0 HA LEU A 46 111.082 -7.974 4.344 1.00 0.00 H new ATOM 0 HB2 LEU A 46 112.459 -10.237 5.879 1.00 0.00 H new ATOM 0 HB3 LEU A 46 112.706 -9.881 4.181 1.00 0.00 H new ATOM 0 HG LEU A 46 113.116 -7.703 6.256 1.00 0.00 H new ATOM 0 HD11 LEU A 46 115.517 -8.362 6.366 1.00 0.00 H new ATOM 0 HD12 LEU A 46 114.469 -9.657 6.992 1.00 0.00 H new ATOM 0 HD13 LEU A 46 115.168 -9.788 5.360 1.00 0.00 H new ATOM 0 HD21 LEU A 46 114.711 -6.859 4.548 1.00 0.00 H new ATOM 0 HD22 LEU A 46 114.367 -8.276 3.528 1.00 0.00 H new ATOM 0 HD23 LEU A 46 113.087 -7.083 3.855 1.00 0.00 H new ATOM 759 N PRO A 47 108.933 -9.511 4.112 1.00 0.00 N ATOM 760 CA PRO A 47 107.917 -10.544 3.767 1.00 0.00 C ATOM 761 C PRO A 47 108.475 -11.590 2.791 1.00 0.00 C ATOM 762 O PRO A 47 109.474 -11.366 2.138 1.00 0.00 O ATOM 763 CB PRO A 47 106.774 -9.711 3.149 1.00 0.00 C ATOM 764 CG PRO A 47 107.178 -8.219 3.178 1.00 0.00 C ATOM 765 CD PRO A 47 108.610 -8.105 3.733 1.00 0.00 C ATOM 0 HA PRO A 47 107.592 -11.133 4.625 1.00 0.00 H new ATOM 0 HB2 PRO A 47 106.584 -10.031 2.125 1.00 0.00 H new ATOM 0 HB3 PRO A 47 105.850 -9.864 3.707 1.00 0.00 H new ATOM 0 HG2 PRO A 47 107.127 -7.794 2.175 1.00 0.00 H new ATOM 0 HG3 PRO A 47 106.485 -7.652 3.800 1.00 0.00 H new ATOM 0 HD2 PRO A 47 109.303 -7.718 2.986 1.00 0.00 H new ATOM 0 HD3 PRO A 47 108.659 -7.434 4.591 1.00 0.00 H new ATOM 773 N ILE A 48 107.839 -12.733 2.692 1.00 0.00 N ATOM 774 CA ILE A 48 108.329 -13.797 1.767 1.00 0.00 C ATOM 775 C ILE A 48 107.464 -13.793 0.511 1.00 0.00 C ATOM 776 O ILE A 48 106.251 -13.806 0.581 1.00 0.00 O ATOM 777 CB ILE A 48 108.218 -15.166 2.438 1.00 0.00 C ATOM 778 CG1 ILE A 48 108.871 -15.131 3.830 1.00 0.00 C ATOM 779 CG2 ILE A 48 108.915 -16.215 1.568 1.00 0.00 C ATOM 780 CD1 ILE A 48 110.318 -14.622 3.744 1.00 0.00 C ATOM 0 H ILE A 48 106.998 -12.973 3.216 1.00 0.00 H new ATOM 0 HA ILE A 48 109.371 -13.603 1.514 1.00 0.00 H new ATOM 0 HB ILE A 48 107.165 -15.424 2.551 1.00 0.00 H new ATOM 0 HG12 ILE A 48 108.293 -14.485 4.491 1.00 0.00 H new ATOM 0 HG13 ILE A 48 108.858 -16.129 4.268 1.00 0.00 H new ATOM 0 HG21 ILE A 48 108.837 -17.192 2.044 1.00 0.00 H new ATOM 0 HG22 ILE A 48 108.439 -16.250 0.588 1.00 0.00 H new ATOM 0 HG23 ILE A 48 109.966 -15.951 1.451 1.00 0.00 H new ATOM 0 HD11 ILE A 48 110.758 -14.606 4.741 1.00 0.00 H new ATOM 0 HD12 ILE A 48 110.899 -15.284 3.101 1.00 0.00 H new ATOM 0 HD13 ILE A 48 110.325 -13.614 3.328 1.00 0.00 H new ATOM 841 N SER A 52 110.362 -17.223 -2.699 1.00 0.00 N ATOM 842 CA SER A 52 111.498 -16.263 -2.779 1.00 0.00 C ATOM 843 C SER A 52 111.263 -15.212 -1.701 1.00 0.00 C ATOM 844 O SER A 52 110.226 -15.208 -1.066 1.00 0.00 O ATOM 845 CB SER A 52 111.526 -15.606 -4.162 1.00 0.00 C ATOM 846 OG SER A 52 112.114 -16.503 -5.094 1.00 0.00 O ATOM 0 HA SER A 52 112.453 -16.767 -2.628 1.00 0.00 H new ATOM 0 HB2 SER A 52 110.514 -15.348 -4.476 1.00 0.00 H new ATOM 0 HB3 SER A 52 112.095 -14.677 -4.125 1.00 0.00 H new ATOM 0 HG SER A 52 112.132 -16.087 -5.981 1.00 0.00 H new ATOM 852 N VAL A 53 112.200 -14.330 -1.465 1.00 0.00 N ATOM 853 CA VAL A 53 112.000 -13.298 -0.397 1.00 0.00 C ATOM 854 C VAL A 53 112.424 -11.915 -0.898 1.00 0.00 C ATOM 855 O VAL A 53 113.301 -11.778 -1.728 1.00 0.00 O ATOM 856 CB VAL A 53 112.810 -13.694 0.844 1.00 0.00 C ATOM 857 CG1 VAL A 53 114.317 -13.808 0.509 1.00 0.00 C ATOM 858 CG2 VAL A 53 112.580 -12.647 1.939 1.00 0.00 C ATOM 0 H VAL A 53 113.090 -14.277 -1.960 1.00 0.00 H new ATOM 0 HA VAL A 53 110.943 -13.249 -0.137 1.00 0.00 H new ATOM 0 HB VAL A 53 112.477 -14.671 1.194 1.00 0.00 H new ATOM 0 HG11 VAL A 53 114.869 -14.090 1.406 1.00 0.00 H new ATOM 0 HG12 VAL A 53 114.462 -14.567 -0.260 1.00 0.00 H new ATOM 0 HG13 VAL A 53 114.682 -12.848 0.145 1.00 0.00 H new ATOM 0 HG21 VAL A 53 113.151 -12.918 2.827 1.00 0.00 H new ATOM 0 HG22 VAL A 53 112.906 -11.670 1.582 1.00 0.00 H new ATOM 0 HG23 VAL A 53 111.519 -12.608 2.188 1.00 0.00 H new ATOM 868 N LEU A 54 111.789 -10.890 -0.398 1.00 0.00 N ATOM 869 CA LEU A 54 112.130 -9.507 -0.836 1.00 0.00 C ATOM 870 C LEU A 54 113.569 -9.191 -0.423 1.00 0.00 C ATOM 871 O LEU A 54 113.832 -8.783 0.692 1.00 0.00 O ATOM 872 CB LEU A 54 111.163 -8.519 -0.161 1.00 0.00 C ATOM 873 CG LEU A 54 111.458 -7.073 -0.594 1.00 0.00 C ATOM 874 CD1 LEU A 54 111.070 -6.869 -2.066 1.00 0.00 C ATOM 875 CD2 LEU A 54 110.640 -6.117 0.281 1.00 0.00 C ATOM 0 H LEU A 54 111.046 -10.952 0.298 1.00 0.00 H new ATOM 0 HA LEU A 54 112.040 -9.421 -1.919 1.00 0.00 H new ATOM 0 HB2 LEU A 54 110.136 -8.777 -0.419 1.00 0.00 H new ATOM 0 HB3 LEU A 54 111.250 -8.603 0.922 1.00 0.00 H new ATOM 0 HG LEU A 54 112.523 -6.873 -0.479 1.00 0.00 H new ATOM 0 HD11 LEU A 54 111.284 -5.841 -2.360 1.00 0.00 H new ATOM 0 HD12 LEU A 54 111.644 -7.552 -2.692 1.00 0.00 H new ATOM 0 HD13 LEU A 54 110.006 -7.069 -2.193 1.00 0.00 H new ATOM 0 HD21 LEU A 54 110.841 -5.088 -0.017 1.00 0.00 H new ATOM 0 HD22 LEU A 54 109.578 -6.329 0.157 1.00 0.00 H new ATOM 0 HD23 LEU A 54 110.918 -6.253 1.326 1.00 0.00 H new ATOM 887 N ASP A 55 114.503 -9.372 -1.316 1.00 0.00 N ATOM 888 CA ASP A 55 115.924 -9.079 -0.978 1.00 0.00 C ATOM 889 C ASP A 55 116.118 -7.563 -0.876 1.00 0.00 C ATOM 890 O ASP A 55 116.087 -6.861 -1.868 1.00 0.00 O ATOM 891 CB ASP A 55 116.826 -9.630 -2.079 1.00 0.00 C ATOM 892 CG ASP A 55 118.280 -9.587 -1.610 1.00 0.00 C ATOM 893 OD1 ASP A 55 118.533 -8.977 -0.585 1.00 0.00 O ATOM 894 OD2 ASP A 55 119.113 -10.167 -2.282 1.00 0.00 O ATOM 0 H ASP A 55 114.343 -9.710 -2.265 1.00 0.00 H new ATOM 0 HA ASP A 55 116.179 -9.545 -0.026 1.00 0.00 H new ATOM 0 HB2 ASP A 55 116.540 -10.654 -2.321 1.00 0.00 H new ATOM 0 HB3 ASP A 55 116.708 -9.043 -2.990 1.00 0.00 H new ATOM 899 N LEU A 56 116.321 -7.045 0.304 1.00 0.00 N ATOM 900 CA LEU A 56 116.517 -5.572 0.429 1.00 0.00 C ATOM 901 C LEU A 56 117.667 -5.145 -0.493 1.00 0.00 C ATOM 902 O LEU A 56 117.834 -3.980 -0.794 1.00 0.00 O ATOM 903 CB LEU A 56 116.813 -5.168 1.895 1.00 0.00 C ATOM 904 CG LEU A 56 117.499 -6.309 2.658 1.00 0.00 C ATOM 905 CD1 LEU A 56 118.802 -6.703 1.954 1.00 0.00 C ATOM 906 CD2 LEU A 56 117.809 -5.834 4.082 1.00 0.00 C ATOM 0 H LEU A 56 116.360 -7.570 1.178 1.00 0.00 H new ATOM 0 HA LEU A 56 115.600 -5.063 0.132 1.00 0.00 H new ATOM 0 HB2 LEU A 56 117.449 -4.283 1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 56 115.883 -4.900 2.396 1.00 0.00 H new ATOM 0 HG LEU A 56 116.840 -7.176 2.688 1.00 0.00 H new ATOM 0 HD11 LEU A 56 119.282 -7.513 2.503 1.00 0.00 H new ATOM 0 HD12 LEU A 56 118.582 -7.033 0.939 1.00 0.00 H new ATOM 0 HD13 LEU A 56 119.471 -5.843 1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 56 118.297 -6.636 4.635 1.00 0.00 H new ATOM 0 HD22 LEU A 56 118.469 -4.968 4.041 1.00 0.00 H new ATOM 0 HD23 LEU A 56 116.881 -5.559 4.584 1.00 0.00 H new ATOM 918 N TYR A 57 118.459 -6.082 -0.949 1.00 0.00 N ATOM 919 CA TYR A 57 119.589 -5.729 -1.857 1.00 0.00 C ATOM 920 C TYR A 57 119.014 -5.211 -3.183 1.00 0.00 C ATOM 921 O TYR A 57 119.486 -4.242 -3.743 1.00 0.00 O ATOM 922 CB TYR A 57 120.443 -6.991 -2.114 1.00 0.00 C ATOM 923 CG TYR A 57 121.870 -6.609 -2.482 1.00 0.00 C ATOM 924 CD1 TYR A 57 122.126 -5.841 -3.627 1.00 0.00 C ATOM 925 CD2 TYR A 57 122.939 -7.025 -1.672 1.00 0.00 C ATOM 926 CE1 TYR A 57 123.437 -5.489 -3.958 1.00 0.00 C ATOM 927 CE2 TYR A 57 124.253 -6.673 -2.007 1.00 0.00 C ATOM 928 CZ TYR A 57 124.501 -5.902 -3.149 1.00 0.00 C ATOM 929 OH TYR A 57 125.795 -5.555 -3.479 1.00 0.00 O ATOM 0 H TYR A 57 118.371 -7.075 -0.731 1.00 0.00 H new ATOM 0 HA TYR A 57 120.212 -4.958 -1.403 1.00 0.00 H new ATOM 0 HB2 TYR A 57 120.448 -7.620 -1.224 1.00 0.00 H new ATOM 0 HB3 TYR A 57 120.000 -7.579 -2.918 1.00 0.00 H new ATOM 0 HD1 TYR A 57 121.308 -5.521 -4.255 1.00 0.00 H new ATOM 0 HD2 TYR A 57 122.748 -7.617 -0.789 1.00 0.00 H new ATOM 0 HE1 TYR A 57 123.629 -4.897 -4.840 1.00 0.00 H new ATOM 0 HE2 TYR A 57 125.074 -6.996 -1.385 1.00 0.00 H new ATOM 0 HH TYR A 57 126.412 -5.921 -2.812 1.00 0.00 H new ATOM 939 N GLU A 58 117.995 -5.854 -3.688 1.00 0.00 N ATOM 940 CA GLU A 58 117.398 -5.411 -4.980 1.00 0.00 C ATOM 941 C GLU A 58 116.888 -3.978 -4.861 1.00 0.00 C ATOM 942 O GLU A 58 117.035 -3.187 -5.772 1.00 0.00 O ATOM 943 CB GLU A 58 116.240 -6.339 -5.359 1.00 0.00 C ATOM 944 CG GLU A 58 116.792 -7.690 -5.823 1.00 0.00 C ATOM 945 CD GLU A 58 117.483 -7.519 -7.179 1.00 0.00 C ATOM 946 OE1 GLU A 58 116.815 -7.108 -8.113 1.00 0.00 O ATOM 947 OE2 GLU A 58 118.668 -7.800 -7.259 1.00 0.00 O ATOM 0 H GLU A 58 117.551 -6.667 -3.261 1.00 0.00 H new ATOM 0 HA GLU A 58 118.164 -5.451 -5.754 1.00 0.00 H new ATOM 0 HB2 GLU A 58 115.579 -6.480 -4.504 1.00 0.00 H new ATOM 0 HB3 GLU A 58 115.644 -5.887 -6.152 1.00 0.00 H new ATOM 0 HG2 GLU A 58 117.498 -8.078 -5.089 1.00 0.00 H new ATOM 0 HG3 GLU A 58 115.984 -8.417 -5.903 1.00 0.00 H new ATOM 954 N LEU A 59 116.291 -3.625 -3.760 1.00 0.00 N ATOM 955 CA LEU A 59 115.790 -2.234 -3.630 1.00 0.00 C ATOM 956 C LEU A 59 116.977 -1.281 -3.774 1.00 0.00 C ATOM 957 O LEU A 59 116.891 -0.262 -4.429 1.00 0.00 O ATOM 958 CB LEU A 59 115.137 -2.035 -2.252 1.00 0.00 C ATOM 959 CG LEU A 59 114.615 -0.591 -2.115 1.00 0.00 C ATOM 960 CD1 LEU A 59 113.508 -0.331 -3.153 1.00 0.00 C ATOM 961 CD2 LEU A 59 114.057 -0.388 -0.700 1.00 0.00 C ATOM 0 H LEU A 59 116.130 -4.231 -2.955 1.00 0.00 H new ATOM 0 HA LEU A 59 115.046 -2.035 -4.401 1.00 0.00 H new ATOM 0 HB2 LEU A 59 114.316 -2.740 -2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 59 115.861 -2.244 -1.465 1.00 0.00 H new ATOM 0 HG LEU A 59 115.433 0.108 -2.290 1.00 0.00 H new ATOM 0 HD11 LEU A 59 113.145 0.691 -3.049 1.00 0.00 H new ATOM 0 HD12 LEU A 59 113.909 -0.473 -4.156 1.00 0.00 H new ATOM 0 HD13 LEU A 59 112.685 -1.027 -2.989 1.00 0.00 H new ATOM 0 HD21 LEU A 59 113.686 0.632 -0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 59 113.241 -1.090 -0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 59 114.847 -0.562 0.031 1.00 0.00 H new ATOM 973 N TYR A 60 118.082 -1.593 -3.149 1.00 0.00 N ATOM 974 CA TYR A 60 119.258 -0.687 -3.242 1.00 0.00 C ATOM 975 C TYR A 60 119.779 -0.608 -4.688 1.00 0.00 C ATOM 976 O TYR A 60 119.990 0.468 -5.211 1.00 0.00 O ATOM 977 CB TYR A 60 120.378 -1.174 -2.315 1.00 0.00 C ATOM 978 CG TYR A 60 121.433 -0.100 -2.260 1.00 0.00 C ATOM 979 CD1 TYR A 60 121.116 1.138 -1.695 1.00 0.00 C ATOM 980 CD2 TYR A 60 122.703 -0.316 -2.806 1.00 0.00 C ATOM 981 CE1 TYR A 60 122.057 2.156 -1.673 1.00 0.00 C ATOM 982 CE2 TYR A 60 123.656 0.709 -2.774 1.00 0.00 C ATOM 983 CZ TYR A 60 123.330 1.947 -2.208 1.00 0.00 C ATOM 984 OH TYR A 60 124.253 2.966 -2.188 1.00 0.00 O ATOM 0 H TYR A 60 118.218 -2.430 -2.583 1.00 0.00 H new ATOM 0 HA TYR A 60 118.941 0.309 -2.932 1.00 0.00 H new ATOM 0 HB2 TYR A 60 119.987 -1.376 -1.318 1.00 0.00 H new ATOM 0 HB3 TYR A 60 120.802 -2.107 -2.686 1.00 0.00 H new ATOM 0 HD1 TYR A 60 120.135 1.302 -1.274 1.00 0.00 H new ATOM 0 HD2 TYR A 60 122.947 -1.270 -3.250 1.00 0.00 H new ATOM 0 HE1 TYR A 60 121.805 3.113 -1.241 1.00 0.00 H new ATOM 0 HE2 TYR A 60 124.641 0.545 -3.185 1.00 0.00 H new ATOM 0 HH TYR A 60 124.640 3.075 -3.082 1.00 0.00 H new ATOM 994 N ASN A 61 119.999 -1.725 -5.340 1.00 0.00 N ATOM 995 CA ASN A 61 120.516 -1.668 -6.744 1.00 0.00 C ATOM 996 C ASN A 61 119.530 -0.909 -7.635 1.00 0.00 C ATOM 997 O ASN A 61 119.919 -0.135 -8.488 1.00 0.00 O ATOM 998 CB ASN A 61 120.683 -3.087 -7.295 1.00 0.00 C ATOM 999 CG ASN A 61 121.879 -3.767 -6.630 1.00 0.00 C ATOM 1000 OD1 ASN A 61 122.743 -3.108 -6.087 1.00 0.00 O ATOM 1001 ND2 ASN A 61 121.968 -5.069 -6.659 1.00 0.00 N ATOM 0 H ASN A 61 119.845 -2.662 -4.967 1.00 0.00 H new ATOM 0 HA ASN A 61 121.478 -1.156 -6.739 1.00 0.00 H new ATOM 0 HB2 ASN A 61 119.777 -3.666 -7.113 1.00 0.00 H new ATOM 0 HB3 ASN A 61 120.828 -3.052 -8.375 1.00 0.00 H new ATOM 0 HD21 ASN A 61 122.764 -5.536 -6.225 1.00 0.00 H new ATOM 0 HD22 ASN A 61 121.241 -5.620 -7.116 1.00 0.00 H new ATOM 1008 N LEU A 62 118.260 -1.122 -7.446 1.00 0.00 N ATOM 1009 CA LEU A 62 117.253 -0.411 -8.283 1.00 0.00 C ATOM 1010 C LEU A 62 117.366 1.096 -8.039 1.00 0.00 C ATOM 1011 O LEU A 62 117.261 1.893 -8.950 1.00 0.00 O ATOM 1012 CB LEU A 62 115.849 -0.894 -7.904 1.00 0.00 C ATOM 1013 CG LEU A 62 115.646 -2.345 -8.373 1.00 0.00 C ATOM 1014 CD1 LEU A 62 114.405 -2.924 -7.686 1.00 0.00 C ATOM 1015 CD2 LEU A 62 115.452 -2.400 -9.902 1.00 0.00 C ATOM 0 H LEU A 62 117.874 -1.758 -6.748 1.00 0.00 H new ATOM 0 HA LEU A 62 117.434 -0.620 -9.337 1.00 0.00 H new ATOM 0 HB2 LEU A 62 115.713 -0.830 -6.824 1.00 0.00 H new ATOM 0 HB3 LEU A 62 115.098 -0.248 -8.359 1.00 0.00 H new ATOM 0 HG LEU A 62 116.530 -2.927 -8.111 1.00 0.00 H new ATOM 0 HD11 LEU A 62 114.254 -3.953 -8.014 1.00 0.00 H new ATOM 0 HD12 LEU A 62 114.545 -2.904 -6.605 1.00 0.00 H new ATOM 0 HD13 LEU A 62 113.532 -2.328 -7.950 1.00 0.00 H new ATOM 0 HD21 LEU A 62 115.310 -3.435 -10.214 1.00 0.00 H new ATOM 0 HD22 LEU A 62 114.576 -1.814 -10.179 1.00 0.00 H new ATOM 0 HD23 LEU A 62 116.333 -1.990 -10.396 1.00 0.00 H new ATOM 1027 N VAL A 63 117.571 1.491 -6.813 1.00 0.00 N ATOM 1028 CA VAL A 63 117.682 2.945 -6.501 1.00 0.00 C ATOM 1029 C VAL A 63 118.953 3.524 -7.141 1.00 0.00 C ATOM 1030 O VAL A 63 118.894 4.446 -7.930 1.00 0.00 O ATOM 1031 CB VAL A 63 117.737 3.108 -4.977 1.00 0.00 C ATOM 1032 CG1 VAL A 63 118.233 4.512 -4.602 1.00 0.00 C ATOM 1033 CG2 VAL A 63 116.334 2.887 -4.398 1.00 0.00 C ATOM 0 H VAL A 63 117.667 0.868 -6.011 1.00 0.00 H new ATOM 0 HA VAL A 63 116.822 3.481 -6.902 1.00 0.00 H new ATOM 0 HB VAL A 63 118.430 2.374 -4.566 1.00 0.00 H new ATOM 0 HG11 VAL A 63 118.265 4.609 -3.517 1.00 0.00 H new ATOM 0 HG12 VAL A 63 119.232 4.666 -5.010 1.00 0.00 H new ATOM 0 HG13 VAL A 63 117.554 5.259 -5.013 1.00 0.00 H new ATOM 0 HG21 VAL A 63 116.365 3.001 -3.314 1.00 0.00 H new ATOM 0 HG22 VAL A 63 115.646 3.620 -4.820 1.00 0.00 H new ATOM 0 HG23 VAL A 63 115.992 1.883 -4.647 1.00 0.00 H new ATOM 1043 N ILE A 64 120.097 2.991 -6.812 1.00 0.00 N ATOM 1044 CA ILE A 64 121.360 3.514 -7.406 1.00 0.00 C ATOM 1045 C ILE A 64 121.312 3.328 -8.922 1.00 0.00 C ATOM 1046 O ILE A 64 121.727 4.184 -9.677 1.00 0.00 O ATOM 1047 CB ILE A 64 122.551 2.740 -6.829 1.00 0.00 C ATOM 1048 CG1 ILE A 64 122.624 2.939 -5.301 1.00 0.00 C ATOM 1049 CG2 ILE A 64 123.852 3.214 -7.482 1.00 0.00 C ATOM 1050 CD1 ILE A 64 122.743 4.429 -4.941 1.00 0.00 C ATOM 0 H ILE A 64 120.212 2.217 -6.158 1.00 0.00 H new ATOM 0 HA ILE A 64 121.470 4.573 -7.171 1.00 0.00 H new ATOM 0 HB ILE A 64 122.416 1.679 -7.040 1.00 0.00 H new ATOM 0 HG12 ILE A 64 121.733 2.519 -4.834 1.00 0.00 H new ATOM 0 HG13 ILE A 64 123.480 2.396 -4.901 1.00 0.00 H new ATOM 0 HG21 ILE A 64 124.692 2.658 -7.065 1.00 0.00 H new ATOM 0 HG22 ILE A 64 123.802 3.044 -8.558 1.00 0.00 H new ATOM 0 HG23 ILE A 64 123.989 4.278 -7.289 1.00 0.00 H new ATOM 0 HD11 ILE A 64 122.793 4.539 -3.858 1.00 0.00 H new ATOM 0 HD12 ILE A 64 123.647 4.840 -5.389 1.00 0.00 H new ATOM 0 HD13 ILE A 64 121.874 4.966 -5.321 1.00 0.00 H new ATOM 1062 N ALA A 65 120.800 2.217 -9.373 1.00 0.00 N ATOM 1063 CA ALA A 65 120.717 1.977 -10.840 1.00 0.00 C ATOM 1064 C ALA A 65 119.987 3.147 -11.503 1.00 0.00 C ATOM 1065 O ALA A 65 120.096 3.366 -12.693 1.00 0.00 O ATOM 1066 CB ALA A 65 119.947 0.681 -11.099 1.00 0.00 C ATOM 0 H ALA A 65 120.435 1.465 -8.789 1.00 0.00 H new ATOM 0 HA ALA A 65 121.721 1.892 -11.256 1.00 0.00 H new ATOM 0 HB1 ALA A 65 119.885 0.503 -12.173 1.00 0.00 H new ATOM 0 HB2 ALA A 65 120.465 -0.151 -10.623 1.00 0.00 H new ATOM 0 HB3 ALA A 65 118.942 0.766 -10.687 1.00 0.00 H new ATOM 1072 N ARG A 66 119.233 3.899 -10.736 1.00 0.00 N ATOM 1073 CA ARG A 66 118.479 5.058 -11.308 1.00 0.00 C ATOM 1074 C ARG A 66 119.228 6.373 -11.049 1.00 0.00 C ATOM 1075 O ARG A 66 118.791 7.427 -11.466 1.00 0.00 O ATOM 1076 CB ARG A 66 117.087 5.112 -10.677 1.00 0.00 C ATOM 1077 CG ARG A 66 116.257 3.937 -11.203 1.00 0.00 C ATOM 1078 CD ARG A 66 114.860 3.964 -10.578 1.00 0.00 C ATOM 1079 NE ARG A 66 114.038 2.863 -11.159 1.00 0.00 N ATOM 1080 CZ ARG A 66 114.268 1.623 -10.821 1.00 0.00 C ATOM 1081 NH1 ARG A 66 115.352 1.025 -11.233 1.00 0.00 N ATOM 1082 NH2 ARG A 66 113.411 0.981 -10.076 1.00 0.00 N ATOM 0 H ARG A 66 119.108 3.758 -9.734 1.00 0.00 H new ATOM 0 HA ARG A 66 118.388 4.927 -12.386 1.00 0.00 H new ATOM 0 HB2 ARG A 66 117.164 5.063 -9.591 1.00 0.00 H new ATOM 0 HB3 ARG A 66 116.600 6.056 -10.920 1.00 0.00 H new ATOM 0 HG2 ARG A 66 116.180 3.992 -12.289 1.00 0.00 H new ATOM 0 HG3 ARG A 66 116.753 2.996 -10.966 1.00 0.00 H new ATOM 0 HD2 ARG A 66 114.931 3.849 -9.496 1.00 0.00 H new ATOM 0 HD3 ARG A 66 114.384 4.926 -10.765 1.00 0.00 H new ATOM 0 HE ARG A 66 113.294 3.080 -11.822 1.00 0.00 H new ATOM 0 HH11 ARG A 66 116.020 1.526 -11.819 1.00 0.00 H new ATOM 0 HH12 ARG A 66 115.532 0.056 -10.969 1.00 0.00 H new ATOM 0 HH21 ARG A 66 112.562 1.448 -9.758 1.00 0.00 H new ATOM 0 HH22 ARG A 66 113.590 0.012 -9.812 1.00 0.00 H new ATOM 1096 N GLY A 67 120.369 6.319 -10.396 1.00 0.00 N ATOM 1097 CA GLY A 67 121.168 7.570 -10.147 1.00 0.00 C ATOM 1098 C GLY A 67 121.226 7.926 -8.655 1.00 0.00 C ATOM 1099 O GLY A 67 122.106 8.651 -8.235 1.00 0.00 O ATOM 0 H GLY A 67 120.782 5.464 -10.024 1.00 0.00 H new ATOM 0 HA2 GLY A 67 122.181 7.436 -10.528 1.00 0.00 H new ATOM 0 HA3 GLY A 67 120.727 8.399 -10.701 1.00 0.00 H new ATOM 1103 N GLY A 68 120.317 7.442 -7.842 1.00 0.00 N ATOM 1104 CA GLY A 68 120.370 7.793 -6.383 1.00 0.00 C ATOM 1105 C GLY A 68 118.959 7.937 -5.812 1.00 0.00 C ATOM 1106 O GLY A 68 118.023 8.249 -6.519 1.00 0.00 O ATOM 0 H GLY A 68 119.551 6.828 -8.118 1.00 0.00 H new ATOM 0 HA2 GLY A 68 120.912 7.021 -5.837 1.00 0.00 H new ATOM 0 HA3 GLY A 68 120.920 8.724 -6.247 1.00 0.00 H new ATOM 1110 N LEU A 69 118.803 7.730 -4.529 1.00 0.00 N ATOM 1111 CA LEU A 69 117.450 7.873 -3.921 1.00 0.00 C ATOM 1112 C LEU A 69 116.939 9.297 -4.144 1.00 0.00 C ATOM 1113 O LEU A 69 115.790 9.506 -4.479 1.00 0.00 O ATOM 1114 CB LEU A 69 117.517 7.599 -2.411 1.00 0.00 C ATOM 1115 CG LEU A 69 116.142 7.850 -1.762 1.00 0.00 C ATOM 1116 CD1 LEU A 69 115.046 7.067 -2.506 1.00 0.00 C ATOM 1117 CD2 LEU A 69 116.184 7.384 -0.304 1.00 0.00 C ATOM 0 H LEU A 69 119.548 7.470 -3.883 1.00 0.00 H new ATOM 0 HA LEU A 69 116.776 7.156 -4.390 1.00 0.00 H new ATOM 0 HB2 LEU A 69 117.828 6.569 -2.235 1.00 0.00 H new ATOM 0 HB3 LEU A 69 118.267 8.242 -1.950 1.00 0.00 H new ATOM 0 HG LEU A 69 115.916 8.915 -1.814 1.00 0.00 H new ATOM 0 HD11 LEU A 69 114.081 7.255 -2.035 1.00 0.00 H new ATOM 0 HD12 LEU A 69 115.011 7.390 -3.547 1.00 0.00 H new ATOM 0 HD13 LEU A 69 115.268 6.001 -2.464 1.00 0.00 H new ATOM 0 HD21 LEU A 69 115.214 7.559 0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 69 116.417 6.320 -0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 69 116.951 7.941 0.234 1.00 0.00 H new ATOM 1129 N VAL A 70 117.776 10.282 -3.947 1.00 0.00 N ATOM 1130 CA VAL A 70 117.316 11.684 -4.141 1.00 0.00 C ATOM 1131 C VAL A 70 116.851 11.848 -5.586 1.00 0.00 C ATOM 1132 O VAL A 70 115.850 12.483 -5.853 1.00 0.00 O ATOM 1133 CB VAL A 70 118.464 12.663 -3.845 1.00 0.00 C ATOM 1134 CG1 VAL A 70 117.929 14.101 -3.862 1.00 0.00 C ATOM 1135 CG2 VAL A 70 119.077 12.355 -2.461 1.00 0.00 C ATOM 0 H VAL A 70 118.750 10.176 -3.663 1.00 0.00 H new ATOM 0 HA VAL A 70 116.494 11.901 -3.459 1.00 0.00 H new ATOM 0 HB VAL A 70 119.234 12.552 -4.608 1.00 0.00 H new ATOM 0 HG11 VAL A 70 118.743 14.795 -3.652 1.00 0.00 H new ATOM 0 HG12 VAL A 70 117.509 14.321 -4.843 1.00 0.00 H new ATOM 0 HG13 VAL A 70 117.155 14.210 -3.103 1.00 0.00 H new ATOM 0 HG21 VAL A 70 119.889 13.053 -2.259 1.00 0.00 H new ATOM 0 HG22 VAL A 70 118.311 12.458 -1.693 1.00 0.00 H new ATOM 0 HG23 VAL A 70 119.464 11.336 -2.453 1.00 0.00 H new ATOM 1145 N ASP A 71 117.550 11.267 -6.524 1.00 0.00 N ATOM 1146 CA ASP A 71 117.105 11.393 -7.936 1.00 0.00 C ATOM 1147 C ASP A 71 115.762 10.679 -8.086 1.00 0.00 C ATOM 1148 O ASP A 71 114.864 11.155 -8.749 1.00 0.00 O ATOM 1149 CB ASP A 71 118.143 10.763 -8.868 1.00 0.00 C ATOM 1150 CG ASP A 71 119.397 11.638 -8.894 1.00 0.00 C ATOM 1151 OD1 ASP A 71 119.252 12.841 -9.048 1.00 0.00 O ATOM 1152 OD2 ASP A 71 120.480 11.093 -8.765 1.00 0.00 O ATOM 0 H ASP A 71 118.397 10.719 -6.375 1.00 0.00 H new ATOM 0 HA ASP A 71 116.997 12.445 -8.202 1.00 0.00 H new ATOM 0 HB2 ASP A 71 118.393 9.759 -8.526 1.00 0.00 H new ATOM 0 HB3 ASP A 71 117.734 10.665 -9.873 1.00 0.00 H new ATOM 1157 N VAL A 72 115.608 9.547 -7.453 1.00 0.00 N ATOM 1158 CA VAL A 72 114.312 8.819 -7.540 1.00 0.00 C ATOM 1159 C VAL A 72 113.198 9.707 -6.977 1.00 0.00 C ATOM 1160 O VAL A 72 112.168 9.891 -7.593 1.00 0.00 O ATOM 1161 CB VAL A 72 114.398 7.516 -6.734 1.00 0.00 C ATOM 1162 CG1 VAL A 72 113.007 6.886 -6.607 1.00 0.00 C ATOM 1163 CG2 VAL A 72 115.327 6.537 -7.458 1.00 0.00 C ATOM 0 H VAL A 72 116.323 9.097 -6.881 1.00 0.00 H new ATOM 0 HA VAL A 72 114.094 8.579 -8.581 1.00 0.00 H new ATOM 0 HB VAL A 72 114.786 7.735 -5.739 1.00 0.00 H new ATOM 0 HG11 VAL A 72 113.077 5.962 -6.034 1.00 0.00 H new ATOM 0 HG12 VAL A 72 112.339 7.580 -6.097 1.00 0.00 H new ATOM 0 HG13 VAL A 72 112.614 6.668 -7.600 1.00 0.00 H new ATOM 0 HG21 VAL A 72 115.392 5.609 -6.890 1.00 0.00 H new ATOM 0 HG22 VAL A 72 114.931 6.327 -8.452 1.00 0.00 H new ATOM 0 HG23 VAL A 72 116.320 6.977 -7.549 1.00 0.00 H new ATOM 1173 N ILE A 73 113.395 10.252 -5.808 1.00 0.00 N ATOM 1174 CA ILE A 73 112.343 11.119 -5.206 1.00 0.00 C ATOM 1175 C ILE A 73 112.091 12.339 -6.097 1.00 0.00 C ATOM 1176 O ILE A 73 110.968 12.633 -6.454 1.00 0.00 O ATOM 1177 CB ILE A 73 112.808 11.587 -3.828 1.00 0.00 C ATOM 1178 CG1 ILE A 73 112.992 10.369 -2.922 1.00 0.00 C ATOM 1179 CG2 ILE A 73 111.758 12.524 -3.224 1.00 0.00 C ATOM 1180 CD1 ILE A 73 113.690 10.789 -1.628 1.00 0.00 C ATOM 0 H ILE A 73 114.237 10.135 -5.245 1.00 0.00 H new ATOM 0 HA ILE A 73 111.418 10.549 -5.114 1.00 0.00 H new ATOM 0 HB ILE A 73 113.754 12.121 -3.920 1.00 0.00 H new ATOM 0 HG12 ILE A 73 112.024 9.923 -2.696 1.00 0.00 H new ATOM 0 HG13 ILE A 73 113.582 9.609 -3.434 1.00 0.00 H new ATOM 0 HG21 ILE A 73 112.090 12.857 -2.241 1.00 0.00 H new ATOM 0 HG22 ILE A 73 111.625 13.388 -3.874 1.00 0.00 H new ATOM 0 HG23 ILE A 73 110.811 11.994 -3.126 1.00 0.00 H new ATOM 0 HD11 ILE A 73 113.819 9.918 -0.985 1.00 0.00 H new ATOM 0 HD12 ILE A 73 114.666 11.215 -1.863 1.00 0.00 H new ATOM 0 HD13 ILE A 73 113.083 11.534 -1.113 1.00 0.00 H new ATOM 1192 N ASN A 74 113.122 13.052 -6.461 1.00 0.00 N ATOM 1193 CA ASN A 74 112.924 14.248 -7.330 1.00 0.00 C ATOM 1194 C ASN A 74 112.282 13.819 -8.649 1.00 0.00 C ATOM 1195 O ASN A 74 111.422 14.490 -9.185 1.00 0.00 O ATOM 1196 CB ASN A 74 114.270 14.918 -7.609 1.00 0.00 C ATOM 1197 CG ASN A 74 114.048 16.142 -8.502 1.00 0.00 C ATOM 1198 OD1 ASN A 74 112.944 16.393 -8.943 1.00 0.00 O ATOM 1199 ND2 ASN A 74 115.056 16.920 -8.786 1.00 0.00 N ATOM 0 H ASN A 74 114.088 12.860 -6.196 1.00 0.00 H new ATOM 0 HA ASN A 74 112.272 14.957 -6.821 1.00 0.00 H new ATOM 0 HB2 ASN A 74 114.742 15.217 -6.673 1.00 0.00 H new ATOM 0 HB3 ASN A 74 114.946 14.215 -8.096 1.00 0.00 H new ATOM 0 HD21 ASN A 74 114.917 17.739 -9.378 1.00 0.00 H new ATOM 0 HD22 ASN A 74 115.983 16.709 -8.416 1.00 0.00 H new ATOM 1206 N LYS A 75 112.706 12.706 -9.180 1.00 0.00 N ATOM 1207 CA LYS A 75 112.146 12.216 -10.471 1.00 0.00 C ATOM 1208 C LYS A 75 110.873 11.408 -10.206 1.00 0.00 C ATOM 1209 O LYS A 75 110.148 11.057 -11.116 1.00 0.00 O ATOM 1210 CB LYS A 75 113.188 11.324 -11.151 1.00 0.00 C ATOM 1211 CG LYS A 75 114.476 12.118 -11.419 1.00 0.00 C ATOM 1212 CD LYS A 75 114.280 13.095 -12.584 1.00 0.00 C ATOM 1213 CE LYS A 75 115.645 13.627 -13.026 1.00 0.00 C ATOM 1214 NZ LYS A 75 115.476 14.503 -14.219 1.00 0.00 N ATOM 0 H LYS A 75 113.424 12.109 -8.770 1.00 0.00 H new ATOM 0 HA LYS A 75 111.903 13.061 -11.115 1.00 0.00 H new ATOM 0 HB2 LYS A 75 113.408 10.463 -10.519 1.00 0.00 H new ATOM 0 HB3 LYS A 75 112.789 10.937 -12.089 1.00 0.00 H new ATOM 0 HG2 LYS A 75 114.763 12.667 -10.522 1.00 0.00 H new ATOM 0 HG3 LYS A 75 115.291 11.431 -11.647 1.00 0.00 H new ATOM 0 HD2 LYS A 75 113.784 12.594 -13.416 1.00 0.00 H new ATOM 0 HD3 LYS A 75 113.636 13.920 -12.279 1.00 0.00 H new ATOM 0 HE2 LYS A 75 116.109 14.187 -12.214 1.00 0.00 H new ATOM 0 HE3 LYS A 75 116.311 12.797 -13.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 116.404 14.864 -14.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 115.051 13.956 -14.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 114.855 15.302 -13.978 1.00 0.00 H new ATOM 1228 N LYS A 76 110.596 11.107 -8.967 1.00 0.00 N ATOM 1229 CA LYS A 76 109.373 10.317 -8.642 1.00 0.00 C ATOM 1230 C LYS A 76 109.355 9.049 -9.500 1.00 0.00 C ATOM 1231 O LYS A 76 108.444 8.817 -10.270 1.00 0.00 O ATOM 1232 CB LYS A 76 108.129 11.164 -8.935 1.00 0.00 C ATOM 1233 CG LYS A 76 106.884 10.480 -8.363 1.00 0.00 C ATOM 1234 CD LYS A 76 105.657 11.357 -8.621 1.00 0.00 C ATOM 1235 CE LYS A 76 104.411 10.676 -8.051 1.00 0.00 C ATOM 1236 NZ LYS A 76 104.075 9.482 -8.875 1.00 0.00 N ATOM 0 H LYS A 76 111.165 11.374 -8.164 1.00 0.00 H new ATOM 0 HA LYS A 76 109.377 10.041 -7.588 1.00 0.00 H new ATOM 0 HB2 LYS A 76 108.243 12.156 -8.497 1.00 0.00 H new ATOM 0 HB3 LYS A 76 108.017 11.301 -10.011 1.00 0.00 H new ATOM 0 HG2 LYS A 76 106.749 9.502 -8.825 1.00 0.00 H new ATOM 0 HG3 LYS A 76 107.007 10.313 -7.293 1.00 0.00 H new ATOM 0 HD2 LYS A 76 105.793 12.335 -8.159 1.00 0.00 H new ATOM 0 HD3 LYS A 76 105.535 11.524 -9.691 1.00 0.00 H new ATOM 0 HE2 LYS A 76 104.587 10.379 -7.017 1.00 0.00 H new ATOM 0 HE3 LYS A 76 103.573 11.374 -8.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 103.107 9.170 -8.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 104.139 9.727 -9.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 104.743 8.714 -8.662 1.00 0.00 H new ATOM 1250 N LEU A 77 110.366 8.226 -9.372 1.00 0.00 N ATOM 1251 CA LEU A 77 110.434 6.963 -10.172 1.00 0.00 C ATOM 1252 C LEU A 77 110.067 5.773 -9.284 1.00 0.00 C ATOM 1253 O LEU A 77 110.367 4.639 -9.602 1.00 0.00 O ATOM 1254 CB LEU A 77 111.856 6.773 -10.711 1.00 0.00 C ATOM 1255 CG LEU A 77 112.194 7.892 -11.705 1.00 0.00 C ATOM 1256 CD1 LEU A 77 113.689 7.831 -12.038 1.00 0.00 C ATOM 1257 CD2 LEU A 77 111.369 7.735 -12.998 1.00 0.00 C ATOM 0 H LEU A 77 111.154 8.376 -8.742 1.00 0.00 H new ATOM 0 HA LEU A 77 109.733 7.026 -11.005 1.00 0.00 H new ATOM 0 HB2 LEU A 77 112.570 6.779 -9.887 1.00 0.00 H new ATOM 0 HB3 LEU A 77 111.942 5.803 -11.200 1.00 0.00 H new ATOM 0 HG LEU A 77 111.951 8.854 -11.254 1.00 0.00 H new ATOM 0 HD11 LEU A 77 113.937 8.623 -12.744 1.00 0.00 H new ATOM 0 HD12 LEU A 77 114.271 7.963 -11.126 1.00 0.00 H new ATOM 0 HD13 LEU A 77 113.924 6.863 -12.481 1.00 0.00 H new ATOM 0 HD21 LEU A 77 111.622 8.537 -13.691 1.00 0.00 H new ATOM 0 HD22 LEU A 77 111.594 6.773 -13.459 1.00 0.00 H new ATOM 0 HD23 LEU A 77 110.306 7.783 -12.760 1.00 0.00 H new ATOM 1269 N TRP A 78 109.417 6.011 -8.176 1.00 0.00 N ATOM 1270 CA TRP A 78 109.039 4.874 -7.292 1.00 0.00 C ATOM 1271 C TRP A 78 108.260 3.858 -8.123 1.00 0.00 C ATOM 1272 O TRP A 78 108.247 2.678 -7.833 1.00 0.00 O ATOM 1273 CB TRP A 78 108.148 5.368 -6.147 1.00 0.00 C ATOM 1274 CG TRP A 78 108.963 6.125 -5.146 1.00 0.00 C ATOM 1275 CD1 TRP A 78 108.911 7.464 -4.960 1.00 0.00 C ATOM 1276 CD2 TRP A 78 109.937 5.617 -4.186 1.00 0.00 C ATOM 1277 NE1 TRP A 78 109.792 7.811 -3.954 1.00 0.00 N ATOM 1278 CE2 TRP A 78 110.449 6.709 -3.445 1.00 0.00 C ATOM 1279 CE3 TRP A 78 110.424 4.331 -3.889 1.00 0.00 C ATOM 1280 CZ2 TRP A 78 111.407 6.532 -2.445 1.00 0.00 C ATOM 1281 CZ3 TRP A 78 111.390 4.150 -2.884 1.00 0.00 C ATOM 1282 CH2 TRP A 78 111.880 5.250 -2.164 1.00 0.00 C ATOM 0 H TRP A 78 109.134 6.935 -7.848 1.00 0.00 H new ATOM 0 HA TRP A 78 109.938 4.423 -6.872 1.00 0.00 H new ATOM 0 HB2 TRP A 78 107.358 6.007 -6.541 1.00 0.00 H new ATOM 0 HB3 TRP A 78 107.661 4.521 -5.664 1.00 0.00 H new ATOM 0 HD1 TRP A 78 108.283 8.150 -5.509 1.00 0.00 H new ATOM 0 HE1 TRP A 78 109.939 8.766 -3.627 1.00 0.00 H new ATOM 0 HE3 TRP A 78 110.053 3.477 -4.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 111.779 7.382 -1.893 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 111.757 3.158 -2.665 1.00 0.00 H new ATOM 0 HH2 TRP A 78 112.622 5.104 -1.393 1.00 0.00 H new ATOM 1293 N GLN A 79 107.610 4.310 -9.159 1.00 0.00 N ATOM 1294 CA GLN A 79 106.830 3.379 -10.017 1.00 0.00 C ATOM 1295 C GLN A 79 107.771 2.323 -10.603 1.00 0.00 C ATOM 1296 O GLN A 79 107.432 1.160 -10.691 1.00 0.00 O ATOM 1297 CB GLN A 79 106.173 4.171 -11.151 1.00 0.00 C ATOM 1298 CG GLN A 79 105.218 3.264 -11.932 1.00 0.00 C ATOM 1299 CD GLN A 79 104.005 2.937 -11.060 1.00 0.00 C ATOM 1300 OE1 GLN A 79 103.546 1.813 -11.036 1.00 0.00 O ATOM 1301 NE2 GLN A 79 103.464 3.879 -10.337 1.00 0.00 N ATOM 0 H GLN A 79 107.586 5.288 -9.448 1.00 0.00 H new ATOM 0 HA GLN A 79 106.059 2.887 -9.424 1.00 0.00 H new ATOM 0 HB2 GLN A 79 105.628 5.023 -10.744 1.00 0.00 H new ATOM 0 HB3 GLN A 79 106.937 4.570 -11.818 1.00 0.00 H new ATOM 0 HG2 GLN A 79 104.898 3.758 -12.850 1.00 0.00 H new ATOM 0 HG3 GLN A 79 105.728 2.346 -12.225 1.00 0.00 H new ATOM 0 HE21 GLN A 79 103.850 4.823 -10.358 1.00 0.00 H new ATOM 0 HE22 GLN A 79 102.655 3.671 -9.751 1.00 0.00 H new ATOM 1310 N GLU A 80 108.950 2.715 -11.004 1.00 0.00 N ATOM 1311 CA GLU A 80 109.902 1.724 -11.578 1.00 0.00 C ATOM 1312 C GLU A 80 110.196 0.645 -10.534 1.00 0.00 C ATOM 1313 O GLU A 80 110.143 -0.535 -10.817 1.00 0.00 O ATOM 1314 CB GLU A 80 111.203 2.428 -11.972 1.00 0.00 C ATOM 1315 CG GLU A 80 110.949 3.329 -13.184 1.00 0.00 C ATOM 1316 CD GLU A 80 110.686 2.466 -14.420 1.00 0.00 C ATOM 1317 OE1 GLU A 80 111.165 1.345 -14.448 1.00 0.00 O ATOM 1318 OE2 GLU A 80 110.007 2.941 -15.315 1.00 0.00 O ATOM 0 H GLU A 80 109.293 3.674 -10.959 1.00 0.00 H new ATOM 0 HA GLU A 80 109.462 1.265 -12.463 1.00 0.00 H new ATOM 0 HB2 GLU A 80 111.576 3.021 -11.137 1.00 0.00 H new ATOM 0 HB3 GLU A 80 111.971 1.691 -12.208 1.00 0.00 H new ATOM 0 HG2 GLU A 80 110.095 3.979 -12.994 1.00 0.00 H new ATOM 0 HG3 GLU A 80 111.810 3.975 -13.356 1.00 0.00 H new ATOM 1325 N ILE A 81 110.500 1.040 -9.326 1.00 0.00 N ATOM 1326 CA ILE A 81 110.787 0.033 -8.266 1.00 0.00 C ATOM 1327 C ILE A 81 109.540 -0.823 -8.039 1.00 0.00 C ATOM 1328 O ILE A 81 109.593 -2.038 -8.033 1.00 0.00 O ATOM 1329 CB ILE A 81 111.154 0.755 -6.965 1.00 0.00 C ATOM 1330 CG1 ILE A 81 112.460 1.531 -7.162 1.00 0.00 C ATOM 1331 CG2 ILE A 81 111.338 -0.261 -5.833 1.00 0.00 C ATOM 1332 CD1 ILE A 81 112.695 2.445 -5.956 1.00 0.00 C ATOM 0 H ILE A 81 110.562 2.014 -9.029 1.00 0.00 H new ATOM 0 HA ILE A 81 111.618 -0.602 -8.575 1.00 0.00 H new ATOM 0 HB ILE A 81 110.350 1.443 -6.703 1.00 0.00 H new ATOM 0 HG12 ILE A 81 113.294 0.838 -7.275 1.00 0.00 H new ATOM 0 HG13 ILE A 81 112.410 2.122 -8.076 1.00 0.00 H new ATOM 0 HG21 ILE A 81 111.599 0.262 -4.913 1.00 0.00 H new ATOM 0 HG22 ILE A 81 110.410 -0.814 -5.686 1.00 0.00 H new ATOM 0 HG23 ILE A 81 112.136 -0.956 -6.094 1.00 0.00 H new ATOM 0 HD11 ILE A 81 113.624 2.998 -6.094 1.00 0.00 H new ATOM 0 HD12 ILE A 81 111.866 3.146 -5.864 1.00 0.00 H new ATOM 0 HD13 ILE A 81 112.763 1.842 -5.050 1.00 0.00 H new ATOM 1344 N ILE A 82 108.413 -0.192 -7.855 1.00 0.00 N ATOM 1345 CA ILE A 82 107.156 -0.954 -7.627 1.00 0.00 C ATOM 1346 C ILE A 82 106.815 -1.764 -8.875 1.00 0.00 C ATOM 1347 O ILE A 82 106.378 -2.893 -8.792 1.00 0.00 O ATOM 1348 CB ILE A 82 106.028 0.029 -7.308 1.00 0.00 C ATOM 1349 CG1 ILE A 82 106.348 0.725 -5.979 1.00 0.00 C ATOM 1350 CG2 ILE A 82 104.699 -0.726 -7.191 1.00 0.00 C ATOM 1351 CD1 ILE A 82 105.386 1.892 -5.729 1.00 0.00 C ATOM 0 H ILE A 82 108.310 0.823 -7.853 1.00 0.00 H new ATOM 0 HA ILE A 82 107.283 -1.640 -6.789 1.00 0.00 H new ATOM 0 HB ILE A 82 105.942 0.768 -8.104 1.00 0.00 H new ATOM 0 HG12 ILE A 82 106.277 0.008 -5.161 1.00 0.00 H new ATOM 0 HG13 ILE A 82 107.375 1.091 -5.993 1.00 0.00 H new ATOM 0 HG21 ILE A 82 103.899 -0.021 -6.964 1.00 0.00 H new ATOM 0 HG22 ILE A 82 104.482 -1.229 -8.133 1.00 0.00 H new ATOM 0 HG23 ILE A 82 104.769 -1.465 -6.393 1.00 0.00 H new ATOM 0 HD11 ILE A 82 105.632 2.370 -4.781 1.00 0.00 H new ATOM 0 HD12 ILE A 82 105.478 2.619 -6.536 1.00 0.00 H new ATOM 0 HD13 ILE A 82 104.363 1.518 -5.692 1.00 0.00 H new ATOM 1537 N ALA A 95 104.426 2.105 -1.886 1.00 0.00 N ATOM 1538 CA ALA A 95 105.339 3.226 -2.273 1.00 0.00 C ATOM 1539 C ALA A 95 105.649 4.062 -1.029 1.00 0.00 C ATOM 1540 O ALA A 95 106.790 4.332 -0.713 1.00 0.00 O ATOM 1541 CB ALA A 95 104.649 4.106 -3.329 1.00 0.00 C ATOM 0 HA ALA A 95 106.264 2.827 -2.689 1.00 0.00 H new ATOM 0 HB1 ALA A 95 105.313 4.923 -3.612 1.00 0.00 H new ATOM 0 HB2 ALA A 95 104.418 3.505 -4.209 1.00 0.00 H new ATOM 0 HB3 ALA A 95 103.727 4.514 -2.916 1.00 0.00 H new ATOM 1547 N PHE A 96 104.635 4.448 -0.311 1.00 0.00 N ATOM 1548 CA PHE A 96 104.859 5.236 0.930 1.00 0.00 C ATOM 1549 C PHE A 96 105.714 4.418 1.900 1.00 0.00 C ATOM 1550 O PHE A 96 106.586 4.934 2.569 1.00 0.00 O ATOM 1551 CB PHE A 96 103.514 5.545 1.590 1.00 0.00 C ATOM 1552 CG PHE A 96 103.744 6.341 2.851 1.00 0.00 C ATOM 1553 CD1 PHE A 96 103.777 7.740 2.807 1.00 0.00 C ATOM 1554 CD2 PHE A 96 103.931 5.675 4.069 1.00 0.00 C ATOM 1555 CE1 PHE A 96 103.995 8.472 3.982 1.00 0.00 C ATOM 1556 CE2 PHE A 96 104.150 6.406 5.241 1.00 0.00 C ATOM 1557 CZ PHE A 96 104.182 7.804 5.198 1.00 0.00 C ATOM 0 H PHE A 96 103.658 4.252 -0.530 1.00 0.00 H new ATOM 0 HA PHE A 96 105.368 6.167 0.681 1.00 0.00 H new ATOM 0 HB2 PHE A 96 102.880 6.106 0.903 1.00 0.00 H new ATOM 0 HB3 PHE A 96 102.989 4.618 1.823 1.00 0.00 H new ATOM 0 HD1 PHE A 96 103.635 8.255 1.868 1.00 0.00 H new ATOM 0 HD2 PHE A 96 103.906 4.596 4.103 1.00 0.00 H new ATOM 0 HE1 PHE A 96 104.019 9.551 3.949 1.00 0.00 H new ATOM 0 HE2 PHE A 96 104.294 5.891 6.179 1.00 0.00 H new ATOM 0 HZ PHE A 96 104.351 8.368 6.103 1.00 0.00 H new ATOM 1567 N THR A 97 105.456 3.143 1.994 1.00 0.00 N ATOM 1568 CA THR A 97 106.238 2.287 2.930 1.00 0.00 C ATOM 1569 C THR A 97 107.703 2.209 2.477 1.00 0.00 C ATOM 1570 O THR A 97 108.610 2.218 3.281 1.00 0.00 O ATOM 1571 CB THR A 97 105.632 0.880 2.949 1.00 0.00 C ATOM 1572 OG1 THR A 97 104.264 0.964 3.325 1.00 0.00 O ATOM 1573 CG2 THR A 97 106.378 0.011 3.964 1.00 0.00 C ATOM 0 H THR A 97 104.735 2.656 1.462 1.00 0.00 H new ATOM 0 HA THR A 97 106.201 2.720 3.930 1.00 0.00 H new ATOM 0 HB THR A 97 105.718 0.436 1.957 1.00 0.00 H new ATOM 0 HG1 THR A 97 103.872 0.066 3.337 1.00 0.00 H new ATOM 0 HG21 THR A 97 105.944 -0.989 3.975 1.00 0.00 H new ATOM 0 HG22 THR A 97 107.430 -0.053 3.685 1.00 0.00 H new ATOM 0 HG23 THR A 97 106.292 0.455 4.956 1.00 0.00 H new ATOM 1581 N LEU A 98 107.946 2.107 1.200 1.00 0.00 N ATOM 1582 CA LEU A 98 109.357 2.004 0.724 1.00 0.00 C ATOM 1583 C LEU A 98 110.144 3.276 1.067 1.00 0.00 C ATOM 1584 O LEU A 98 111.232 3.212 1.605 1.00 0.00 O ATOM 1585 CB LEU A 98 109.369 1.812 -0.795 1.00 0.00 C ATOM 1586 CG LEU A 98 108.715 0.475 -1.172 1.00 0.00 C ATOM 1587 CD1 LEU A 98 108.605 0.393 -2.698 1.00 0.00 C ATOM 1588 CD2 LEU A 98 109.560 -0.705 -0.652 1.00 0.00 C ATOM 0 H LEU A 98 107.235 2.090 0.469 1.00 0.00 H new ATOM 0 HA LEU A 98 109.825 1.153 1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 98 108.836 2.633 -1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 98 110.395 1.839 -1.163 1.00 0.00 H new ATOM 0 HG LEU A 98 107.725 0.418 -0.719 1.00 0.00 H new ATOM 0 HD11 LEU A 98 108.142 -0.553 -2.979 1.00 0.00 H new ATOM 0 HD12 LEU A 98 107.995 1.219 -3.064 1.00 0.00 H new ATOM 0 HD13 LEU A 98 109.600 0.455 -3.138 1.00 0.00 H new ATOM 0 HD21 LEU A 98 109.082 -1.645 -0.928 1.00 0.00 H new ATOM 0 HD22 LEU A 98 110.556 -0.662 -1.093 1.00 0.00 H new ATOM 0 HD23 LEU A 98 109.641 -0.644 0.433 1.00 0.00 H new ATOM 1600 N ARG A 99 109.623 4.427 0.740 1.00 0.00 N ATOM 1601 CA ARG A 99 110.365 5.690 1.027 1.00 0.00 C ATOM 1602 C ARG A 99 110.628 5.862 2.530 1.00 0.00 C ATOM 1603 O ARG A 99 111.679 6.323 2.926 1.00 0.00 O ATOM 1604 CB ARG A 99 109.582 6.895 0.488 1.00 0.00 C ATOM 1605 CG ARG A 99 108.171 6.915 1.067 1.00 0.00 C ATOM 1606 CD ARG A 99 107.407 8.104 0.476 1.00 0.00 C ATOM 1607 NE ARG A 99 107.203 7.881 -0.984 1.00 0.00 N ATOM 1608 CZ ARG A 99 106.631 8.798 -1.716 1.00 0.00 C ATOM 1609 NH1 ARG A 99 106.165 9.884 -1.161 1.00 0.00 N ATOM 1610 NH2 ARG A 99 106.527 8.630 -3.007 1.00 0.00 N ATOM 0 H ARG A 99 108.717 4.549 0.287 1.00 0.00 H new ATOM 0 HA ARG A 99 111.330 5.631 0.524 1.00 0.00 H new ATOM 0 HB2 ARG A 99 110.101 7.818 0.746 1.00 0.00 H new ATOM 0 HB3 ARG A 99 109.535 6.849 -0.600 1.00 0.00 H new ATOM 0 HG2 ARG A 99 107.655 5.983 0.835 1.00 0.00 H new ATOM 0 HG3 ARG A 99 108.211 6.995 2.153 1.00 0.00 H new ATOM 0 HD2 ARG A 99 106.445 8.218 0.976 1.00 0.00 H new ATOM 0 HD3 ARG A 99 107.963 9.027 0.641 1.00 0.00 H new ATOM 0 HE ARG A 99 107.512 7.008 -1.413 1.00 0.00 H new ATOM 0 HH11 ARG A 99 106.247 10.017 -0.153 1.00 0.00 H new ATOM 0 HH12 ARG A 99 105.718 10.599 -1.735 1.00 0.00 H new ATOM 0 HH21 ARG A 99 106.893 7.783 -3.442 1.00 0.00 H new ATOM 0 HH22 ARG A 99 106.080 9.346 -3.580 1.00 0.00 H new ATOM 1624 N THR A 100 109.684 5.530 3.373 1.00 0.00 N ATOM 1625 CA THR A 100 109.909 5.722 4.841 1.00 0.00 C ATOM 1626 C THR A 100 110.791 4.609 5.431 1.00 0.00 C ATOM 1627 O THR A 100 111.685 4.875 6.209 1.00 0.00 O ATOM 1628 CB THR A 100 108.555 5.770 5.574 1.00 0.00 C ATOM 1629 OG1 THR A 100 108.725 6.414 6.827 1.00 0.00 O ATOM 1630 CG2 THR A 100 108.009 4.356 5.803 1.00 0.00 C ATOM 0 H THR A 100 108.778 5.139 3.115 1.00 0.00 H new ATOM 0 HA THR A 100 110.434 6.667 4.980 1.00 0.00 H new ATOM 0 HB THR A 100 107.845 6.322 4.959 1.00 0.00 H new ATOM 0 HG1 THR A 100 107.865 6.448 7.296 1.00 0.00 H new ATOM 0 HG21 THR A 100 107.052 4.415 6.322 1.00 0.00 H new ATOM 0 HG22 THR A 100 107.871 3.859 4.843 1.00 0.00 H new ATOM 0 HG23 THR A 100 108.715 3.787 6.407 1.00 0.00 H new ATOM 1638 N GLN A 101 110.545 3.368 5.099 1.00 0.00 N ATOM 1639 CA GLN A 101 111.376 2.275 5.687 1.00 0.00 C ATOM 1640 C GLN A 101 112.826 2.427 5.224 1.00 0.00 C ATOM 1641 O GLN A 101 113.757 2.313 6.003 1.00 0.00 O ATOM 1642 CB GLN A 101 110.835 0.912 5.237 1.00 0.00 C ATOM 1643 CG GLN A 101 109.432 0.676 5.818 1.00 0.00 C ATOM 1644 CD GLN A 101 109.480 0.684 7.349 1.00 0.00 C ATOM 1645 OE1 GLN A 101 108.698 1.358 7.987 1.00 0.00 O ATOM 1646 NE2 GLN A 101 110.376 -0.036 7.968 1.00 0.00 N ATOM 0 H GLN A 101 109.814 3.066 4.454 1.00 0.00 H new ATOM 0 HA GLN A 101 111.333 2.338 6.774 1.00 0.00 H new ATOM 0 HB2 GLN A 101 110.797 0.870 4.148 1.00 0.00 H new ATOM 0 HB3 GLN A 101 111.509 0.120 5.563 1.00 0.00 H new ATOM 0 HG2 GLN A 101 108.750 1.450 5.465 1.00 0.00 H new ATOM 0 HG3 GLN A 101 109.041 -0.278 5.465 1.00 0.00 H new ATOM 0 HE21 GLN A 101 111.034 -0.603 7.433 1.00 0.00 H new ATOM 0 HE22 GLN A 101 110.418 -0.032 8.987 1.00 0.00 H new ATOM 1655 N TYR A 102 113.026 2.696 3.968 1.00 0.00 N ATOM 1656 CA TYR A 102 114.410 2.872 3.452 1.00 0.00 C ATOM 1657 C TYR A 102 115.058 4.032 4.206 1.00 0.00 C ATOM 1658 O TYR A 102 116.209 3.986 4.587 1.00 0.00 O ATOM 1659 CB TYR A 102 114.335 3.196 1.960 1.00 0.00 C ATOM 1660 CG TYR A 102 115.722 3.323 1.378 1.00 0.00 C ATOM 1661 CD1 TYR A 102 116.430 4.518 1.505 1.00 0.00 C ATOM 1662 CD2 TYR A 102 116.290 2.245 0.692 1.00 0.00 C ATOM 1663 CE1 TYR A 102 117.708 4.638 0.944 1.00 0.00 C ATOM 1664 CE2 TYR A 102 117.564 2.363 0.131 1.00 0.00 C ATOM 1665 CZ TYR A 102 118.274 3.561 0.255 1.00 0.00 C ATOM 1666 OH TYR A 102 119.533 3.679 -0.298 1.00 0.00 O ATOM 0 H TYR A 102 112.288 2.802 3.272 1.00 0.00 H new ATOM 0 HA TYR A 102 115.000 1.967 3.596 1.00 0.00 H new ATOM 0 HB2 TYR A 102 113.785 2.412 1.439 1.00 0.00 H new ATOM 0 HB3 TYR A 102 113.785 4.125 1.810 1.00 0.00 H new ATOM 0 HD1 TYR A 102 115.993 5.351 2.036 1.00 0.00 H new ATOM 0 HD2 TYR A 102 115.743 1.319 0.596 1.00 0.00 H new ATOM 0 HE1 TYR A 102 118.256 5.563 1.044 1.00 0.00 H new ATOM 0 HE2 TYR A 102 118.000 1.529 -0.398 1.00 0.00 H new ATOM 0 HH TYR A 102 119.813 4.618 -0.278 1.00 0.00 H new ATOM 1676 N MET A 103 114.306 5.071 4.425 1.00 0.00 N ATOM 1677 CA MET A 103 114.830 6.254 5.157 1.00 0.00 C ATOM 1678 C MET A 103 115.212 5.860 6.586 1.00 0.00 C ATOM 1679 O MET A 103 116.160 6.370 7.151 1.00 0.00 O ATOM 1680 CB MET A 103 113.738 7.329 5.208 1.00 0.00 C ATOM 1681 CG MET A 103 114.300 8.623 5.807 1.00 0.00 C ATOM 1682 SD MET A 103 115.465 9.381 4.642 1.00 0.00 S ATOM 1683 CE MET A 103 114.262 9.928 3.399 1.00 0.00 C ATOM 0 H MET A 103 113.335 5.152 4.123 1.00 0.00 H new ATOM 0 HA MET A 103 115.713 6.635 4.643 1.00 0.00 H new ATOM 0 HB2 MET A 103 113.357 7.519 4.205 1.00 0.00 H new ATOM 0 HB3 MET A 103 112.898 6.977 5.807 1.00 0.00 H new ATOM 0 HG2 MET A 103 113.488 9.316 6.027 1.00 0.00 H new ATOM 0 HG3 MET A 103 114.802 8.410 6.751 1.00 0.00 H new ATOM 0 HE1 MET A 103 114.617 10.845 2.928 1.00 0.00 H new ATOM 0 HE2 MET A 103 114.143 9.153 2.642 1.00 0.00 H new ATOM 0 HE3 MET A 103 113.302 10.115 3.880 1.00 0.00 H new ATOM 1693 N LYS A 104 114.446 5.000 7.194 1.00 0.00 N ATOM 1694 CA LYS A 104 114.716 4.620 8.610 1.00 0.00 C ATOM 1695 C LYS A 104 116.113 3.988 8.794 1.00 0.00 C ATOM 1696 O LYS A 104 116.764 4.255 9.784 1.00 0.00 O ATOM 1697 CB LYS A 104 113.625 3.649 9.077 1.00 0.00 C ATOM 1698 CG LYS A 104 113.598 3.585 10.611 1.00 0.00 C ATOM 1699 CD LYS A 104 112.395 2.745 11.090 1.00 0.00 C ATOM 1700 CE LYS A 104 111.139 3.621 11.200 1.00 0.00 C ATOM 1701 NZ LYS A 104 111.326 4.624 12.287 1.00 0.00 N ATOM 0 H LYS A 104 113.640 4.541 6.770 1.00 0.00 H new ATOM 0 HA LYS A 104 114.702 5.526 9.215 1.00 0.00 H new ATOM 0 HB2 LYS A 104 112.654 3.972 8.701 1.00 0.00 H new ATOM 0 HB3 LYS A 104 113.811 2.656 8.667 1.00 0.00 H new ATOM 0 HG2 LYS A 104 114.526 3.148 10.980 1.00 0.00 H new ATOM 0 HG3 LYS A 104 113.534 4.592 11.023 1.00 0.00 H new ATOM 0 HD2 LYS A 104 112.215 1.926 10.393 1.00 0.00 H new ATOM 0 HD3 LYS A 104 112.619 2.297 12.058 1.00 0.00 H new ATOM 0 HE2 LYS A 104 110.951 4.126 10.253 1.00 0.00 H new ATOM 0 HE3 LYS A 104 110.267 3.001 11.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 110.591 4.492 13.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 112.264 4.498 12.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 111.254 5.583 11.891 1.00 0.00 H new ATOM 1715 N TYR A 105 116.583 3.144 7.890 1.00 0.00 N ATOM 1716 CA TYR A 105 117.947 2.510 8.100 1.00 0.00 C ATOM 1717 C TYR A 105 118.828 2.555 6.845 1.00 0.00 C ATOM 1718 O TYR A 105 120.008 2.273 6.926 1.00 0.00 O ATOM 1719 CB TYR A 105 117.781 1.029 8.451 1.00 0.00 C ATOM 1720 CG TYR A 105 117.066 0.863 9.761 1.00 0.00 C ATOM 1721 CD1 TYR A 105 117.793 0.815 10.953 1.00 0.00 C ATOM 1722 CD2 TYR A 105 115.675 0.744 9.781 1.00 0.00 C ATOM 1723 CE1 TYR A 105 117.125 0.650 12.168 1.00 0.00 C ATOM 1724 CE2 TYR A 105 115.005 0.578 10.994 1.00 0.00 C ATOM 1725 CZ TYR A 105 115.729 0.531 12.191 1.00 0.00 C ATOM 1726 OH TYR A 105 115.070 0.366 13.392 1.00 0.00 O ATOM 0 H TYR A 105 116.098 2.870 7.035 1.00 0.00 H new ATOM 0 HA TYR A 105 118.421 3.081 8.898 1.00 0.00 H new ATOM 0 HB2 TYR A 105 117.223 0.525 7.662 1.00 0.00 H new ATOM 0 HB3 TYR A 105 118.760 0.552 8.504 1.00 0.00 H new ATOM 0 HD1 TYR A 105 118.869 0.905 10.935 1.00 0.00 H new ATOM 0 HD2 TYR A 105 115.117 0.780 8.857 1.00 0.00 H new ATOM 0 HE1 TYR A 105 117.685 0.614 13.091 1.00 0.00 H new ATOM 0 HE2 TYR A 105 113.929 0.486 11.009 1.00 0.00 H new ATOM 0 HH TYR A 105 114.106 0.301 13.230 1.00 0.00 H new ATOM 1736 N LEU A 106 118.288 2.831 5.683 1.00 0.00 N ATOM 1737 CA LEU A 106 119.138 2.794 4.441 1.00 0.00 C ATOM 1738 C LEU A 106 119.519 4.192 3.933 1.00 0.00 C ATOM 1739 O LEU A 106 120.437 4.322 3.149 1.00 0.00 O ATOM 1740 CB LEU A 106 118.374 2.026 3.353 1.00 0.00 C ATOM 1741 CG LEU A 106 118.423 0.507 3.648 1.00 0.00 C ATOM 1742 CD1 LEU A 106 117.248 -0.198 2.967 1.00 0.00 C ATOM 1743 CD2 LEU A 106 119.732 -0.101 3.115 1.00 0.00 C ATOM 0 H LEU A 106 117.309 3.078 5.536 1.00 0.00 H new ATOM 0 HA LEU A 106 120.074 2.294 4.688 1.00 0.00 H new ATOM 0 HB2 LEU A 106 117.339 2.365 3.315 1.00 0.00 H new ATOM 0 HB3 LEU A 106 118.812 2.230 2.376 1.00 0.00 H new ATOM 0 HG LEU A 106 118.367 0.369 4.728 1.00 0.00 H new ATOM 0 HD11 LEU A 106 117.291 -1.266 3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 106 116.310 0.210 3.345 1.00 0.00 H new ATOM 0 HD13 LEU A 106 117.304 -0.041 1.890 1.00 0.00 H new ATOM 0 HD21 LEU A 106 119.751 -1.169 3.330 1.00 0.00 H new ATOM 0 HD22 LEU A 106 119.793 0.053 2.038 1.00 0.00 H new ATOM 0 HD23 LEU A 106 120.581 0.382 3.599 1.00 0.00 H new ATOM 1755 N TYR A 107 118.871 5.244 4.358 1.00 0.00 N ATOM 1756 CA TYR A 107 119.300 6.581 3.848 1.00 0.00 C ATOM 1757 C TYR A 107 120.679 6.949 4.431 1.00 0.00 C ATOM 1758 O TYR A 107 121.485 7.543 3.743 1.00 0.00 O ATOM 1759 CB TYR A 107 118.250 7.670 4.154 1.00 0.00 C ATOM 1760 CG TYR A 107 118.861 9.044 3.973 1.00 0.00 C ATOM 1761 CD1 TYR A 107 119.500 9.674 5.047 1.00 0.00 C ATOM 1762 CD2 TYR A 107 118.786 9.684 2.729 1.00 0.00 C ATOM 1763 CE1 TYR A 107 120.066 10.944 4.878 1.00 0.00 C ATOM 1764 CE2 TYR A 107 119.352 10.954 2.560 1.00 0.00 C ATOM 1765 CZ TYR A 107 119.992 11.584 3.634 1.00 0.00 C ATOM 1766 OH TYR A 107 120.548 12.837 3.468 1.00 0.00 O ATOM 0 H TYR A 107 118.090 5.241 5.014 1.00 0.00 H new ATOM 0 HA TYR A 107 119.386 6.523 2.763 1.00 0.00 H new ATOM 0 HB2 TYR A 107 117.391 7.555 3.493 1.00 0.00 H new ATOM 0 HB3 TYR A 107 117.884 7.557 5.174 1.00 0.00 H new ATOM 0 HD1 TYR A 107 119.557 9.181 6.006 1.00 0.00 H new ATOM 0 HD2 TYR A 107 118.292 9.198 1.901 1.00 0.00 H new ATOM 0 HE1 TYR A 107 120.559 11.430 5.707 1.00 0.00 H new ATOM 0 HE2 TYR A 107 119.295 11.447 1.601 1.00 0.00 H new ATOM 0 HH TYR A 107 120.410 13.137 2.545 1.00 0.00 H new ATOM 1776 N PRO A 108 120.984 6.604 5.669 1.00 0.00 N ATOM 1777 CA PRO A 108 122.320 6.939 6.231 1.00 0.00 C ATOM 1778 C PRO A 108 123.415 6.041 5.631 1.00 0.00 C ATOM 1779 O PRO A 108 124.517 6.475 5.364 1.00 0.00 O ATOM 1780 CB PRO A 108 122.126 6.670 7.741 1.00 0.00 C ATOM 1781 CG PRO A 108 120.679 6.182 7.964 1.00 0.00 C ATOM 1782 CD PRO A 108 120.062 5.878 6.590 1.00 0.00 C ATOM 0 HA PRO A 108 122.643 7.957 6.015 1.00 0.00 H new ATOM 0 HB2 PRO A 108 122.837 5.920 8.088 1.00 0.00 H new ATOM 0 HB3 PRO A 108 122.314 7.577 8.316 1.00 0.00 H new ATOM 0 HG2 PRO A 108 120.670 5.291 8.591 1.00 0.00 H new ATOM 0 HG3 PRO A 108 120.096 6.943 8.483 1.00 0.00 H new ATOM 0 HD2 PRO A 108 120.036 4.808 6.382 1.00 0.00 H new ATOM 0 HD3 PRO A 108 119.038 6.243 6.513 1.00 0.00 H new ATOM 1790 N TYR A 109 123.105 4.789 5.429 1.00 0.00 N ATOM 1791 CA TYR A 109 124.105 3.842 4.858 1.00 0.00 C ATOM 1792 C TYR A 109 124.436 4.246 3.414 1.00 0.00 C ATOM 1793 O TYR A 109 125.584 4.295 3.021 1.00 0.00 O ATOM 1794 CB TYR A 109 123.509 2.430 4.891 1.00 0.00 C ATOM 1795 CG TYR A 109 124.578 1.403 4.602 1.00 0.00 C ATOM 1796 CD1 TYR A 109 125.651 1.246 5.490 1.00 0.00 C ATOM 1797 CD2 TYR A 109 124.493 0.594 3.459 1.00 0.00 C ATOM 1798 CE1 TYR A 109 126.636 0.290 5.237 1.00 0.00 C ATOM 1799 CE2 TYR A 109 125.483 -0.363 3.208 1.00 0.00 C ATOM 1800 CZ TYR A 109 126.553 -0.514 4.094 1.00 0.00 C ATOM 1801 OH TYR A 109 127.526 -1.460 3.842 1.00 0.00 O ATOM 0 H TYR A 109 122.195 4.379 5.637 1.00 0.00 H new ATOM 0 HA TYR A 109 125.025 3.867 5.442 1.00 0.00 H new ATOM 0 HB2 TYR A 109 123.065 2.238 5.868 1.00 0.00 H new ATOM 0 HB3 TYR A 109 122.709 2.348 4.156 1.00 0.00 H new ATOM 0 HD1 TYR A 109 125.716 1.866 6.372 1.00 0.00 H new ATOM 0 HD2 TYR A 109 123.666 0.709 2.774 1.00 0.00 H new ATOM 0 HE1 TYR A 109 127.462 0.171 5.923 1.00 0.00 H new ATOM 0 HE2 TYR A 109 125.420 -0.986 2.328 1.00 0.00 H new ATOM 0 HH TYR A 109 127.316 -1.932 3.009 1.00 0.00 H new ATOM 1811 N GLU A 110 123.437 4.539 2.626 1.00 0.00 N ATOM 1812 CA GLU A 110 123.675 4.946 1.214 1.00 0.00 C ATOM 1813 C GLU A 110 124.609 6.156 1.162 1.00 0.00 C ATOM 1814 O GLU A 110 125.561 6.190 0.407 1.00 0.00 O ATOM 1815 CB GLU A 110 122.332 5.330 0.592 1.00 0.00 C ATOM 1816 CG GLU A 110 122.541 5.766 -0.859 1.00 0.00 C ATOM 1817 CD GLU A 110 121.183 5.980 -1.528 1.00 0.00 C ATOM 1818 OE1 GLU A 110 120.207 6.123 -0.810 1.00 0.00 O ATOM 1819 OE2 GLU A 110 121.140 5.989 -2.748 1.00 0.00 O ATOM 0 H GLU A 110 122.456 4.513 2.905 1.00 0.00 H new ATOM 0 HA GLU A 110 124.134 4.121 0.669 1.00 0.00 H new ATOM 0 HB2 GLU A 110 121.647 4.483 0.632 1.00 0.00 H new ATOM 0 HB3 GLU A 110 121.874 6.138 1.162 1.00 0.00 H new ATOM 0 HG2 GLU A 110 123.124 6.686 -0.893 1.00 0.00 H new ATOM 0 HG3 GLU A 110 123.109 5.009 -1.399 1.00 0.00 H new ATOM 1826 N CYS A 111 124.326 7.155 1.943 1.00 0.00 N ATOM 1827 CA CYS A 111 125.164 8.386 1.935 1.00 0.00 C ATOM 1828 C CYS A 111 126.614 8.067 2.313 1.00 0.00 C ATOM 1829 O CYS A 111 127.541 8.630 1.768 1.00 0.00 O ATOM 1830 CB CYS A 111 124.590 9.388 2.939 1.00 0.00 C ATOM 1831 SG CYS A 111 125.601 10.890 2.939 1.00 0.00 S ATOM 0 H CYS A 111 123.542 7.174 2.595 1.00 0.00 H new ATOM 0 HA CYS A 111 125.154 8.807 0.930 1.00 0.00 H new ATOM 0 HB2 CYS A 111 123.560 9.630 2.678 1.00 0.00 H new ATOM 0 HB3 CYS A 111 124.572 8.949 3.937 1.00 0.00 H new ATOM 0 HG CYS A 111 125.112 11.742 3.790 1.00 0.00 H new ATOM 1837 N GLU A 112 126.830 7.206 3.261 1.00 0.00 N ATOM 1838 CA GLU A 112 128.233 6.914 3.671 1.00 0.00 C ATOM 1839 C GLU A 112 129.020 6.276 2.519 1.00 0.00 C ATOM 1840 O GLU A 112 130.109 6.706 2.196 1.00 0.00 O ATOM 1841 CB GLU A 112 128.223 5.957 4.865 1.00 0.00 C ATOM 1842 CG GLU A 112 129.642 5.828 5.424 1.00 0.00 C ATOM 1843 CD GLU A 112 129.633 4.898 6.638 1.00 0.00 C ATOM 1844 OE1 GLU A 112 128.581 4.362 6.941 1.00 0.00 O ATOM 1845 OE2 GLU A 112 130.682 4.732 7.240 1.00 0.00 O ATOM 0 H GLU A 112 126.107 6.695 3.767 1.00 0.00 H new ATOM 0 HA GLU A 112 128.716 7.852 3.944 1.00 0.00 H new ATOM 0 HB2 GLU A 112 127.548 6.328 5.637 1.00 0.00 H new ATOM 0 HB3 GLU A 112 127.851 4.979 4.559 1.00 0.00 H new ATOM 0 HG2 GLU A 112 130.311 5.436 4.658 1.00 0.00 H new ATOM 0 HG3 GLU A 112 130.022 6.809 5.708 1.00 0.00 H new ATOM 1852 N LYS A 113 128.501 5.244 1.912 1.00 0.00 N ATOM 1853 CA LYS A 113 129.258 4.586 0.806 1.00 0.00 C ATOM 1854 C LYS A 113 129.289 5.457 -0.459 1.00 0.00 C ATOM 1855 O LYS A 113 130.295 5.517 -1.139 1.00 0.00 O ATOM 1856 CB LYS A 113 128.611 3.236 0.475 1.00 0.00 C ATOM 1857 CG LYS A 113 128.779 2.260 1.652 1.00 0.00 C ATOM 1858 CD LYS A 113 130.185 1.637 1.645 1.00 0.00 C ATOM 1859 CE LYS A 113 130.250 0.522 2.692 1.00 0.00 C ATOM 1860 NZ LYS A 113 130.188 1.119 4.056 1.00 0.00 N ATOM 0 H LYS A 113 127.595 4.830 2.130 1.00 0.00 H new ATOM 0 HA LYS A 113 130.285 4.442 1.143 1.00 0.00 H new ATOM 0 HB2 LYS A 113 127.552 3.376 0.258 1.00 0.00 H new ATOM 0 HB3 LYS A 113 129.067 2.817 -0.422 1.00 0.00 H new ATOM 0 HG2 LYS A 113 128.613 2.785 2.593 1.00 0.00 H new ATOM 0 HG3 LYS A 113 128.027 1.474 1.589 1.00 0.00 H new ATOM 0 HD2 LYS A 113 130.413 1.237 0.657 1.00 0.00 H new ATOM 0 HD3 LYS A 113 130.934 2.399 1.861 1.00 0.00 H new ATOM 0 HE2 LYS A 113 129.423 -0.174 2.550 1.00 0.00 H new ATOM 0 HE3 LYS A 113 131.171 -0.049 2.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 130.368 0.381 4.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 130.908 1.865 4.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 129.245 1.529 4.213 1.00 0.00 H new ATOM 1874 N LYS A 114 128.198 6.113 -0.804 1.00 0.00 N ATOM 1875 CA LYS A 114 128.178 6.953 -2.058 1.00 0.00 C ATOM 1876 C LYS A 114 128.100 8.454 -1.723 1.00 0.00 C ATOM 1877 O LYS A 114 128.583 9.276 -2.474 1.00 0.00 O ATOM 1878 CB LYS A 114 126.954 6.560 -2.915 1.00 0.00 C ATOM 1879 CG LYS A 114 127.281 5.372 -3.837 1.00 0.00 C ATOM 1880 CD LYS A 114 127.453 4.091 -3.018 1.00 0.00 C ATOM 1881 CE LYS A 114 127.435 2.884 -3.957 1.00 0.00 C ATOM 1882 NZ LYS A 114 127.842 1.662 -3.205 1.00 0.00 N ATOM 0 H LYS A 114 127.325 6.104 -0.276 1.00 0.00 H new ATOM 0 HA LYS A 114 129.102 6.771 -2.607 1.00 0.00 H new ATOM 0 HB2 LYS A 114 126.119 6.300 -2.264 1.00 0.00 H new ATOM 0 HB3 LYS A 114 126.637 7.413 -3.515 1.00 0.00 H new ATOM 0 HG2 LYS A 114 126.482 5.240 -4.567 1.00 0.00 H new ATOM 0 HG3 LYS A 114 128.193 5.578 -4.397 1.00 0.00 H new ATOM 0 HD2 LYS A 114 128.392 4.122 -2.466 1.00 0.00 H new ATOM 0 HD3 LYS A 114 126.653 4.006 -2.282 1.00 0.00 H new ATOM 0 HE2 LYS A 114 126.438 2.751 -4.376 1.00 0.00 H new ATOM 0 HE3 LYS A 114 128.113 3.051 -4.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 127.830 0.841 -3.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 128.802 1.791 -2.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 127.179 1.500 -2.421 1.00 0.00 H new ATOM 1896 N ASN A 115 127.492 8.833 -0.630 1.00 0.00 N ATOM 1897 CA ASN A 115 127.399 10.294 -0.322 1.00 0.00 C ATOM 1898 C ASN A 115 126.784 11.008 -1.530 1.00 0.00 C ATOM 1899 O ASN A 115 127.315 11.975 -2.036 1.00 0.00 O ATOM 1900 CB ASN A 115 128.802 10.850 -0.052 1.00 0.00 C ATOM 1901 CG ASN A 115 128.691 12.231 0.596 1.00 0.00 C ATOM 1902 OD1 ASN A 115 127.628 12.628 1.029 1.00 0.00 O ATOM 1903 ND2 ASN A 115 129.753 12.985 0.680 1.00 0.00 N ATOM 0 H ASN A 115 127.062 8.209 0.053 1.00 0.00 H new ATOM 0 HA ASN A 115 126.778 10.453 0.560 1.00 0.00 H new ATOM 0 HB2 ASN A 115 129.353 10.174 0.602 1.00 0.00 H new ATOM 0 HB3 ASN A 115 129.363 10.919 -0.984 1.00 0.00 H new ATOM 0 HD21 ASN A 115 129.690 13.908 1.109 1.00 0.00 H new ATOM 0 HD22 ASN A 115 130.646 12.651 0.316 1.00 0.00 H new ATOM 1910 N LEU A 116 125.678 10.503 -2.009 1.00 0.00 N ATOM 1911 CA LEU A 116 125.016 11.102 -3.207 1.00 0.00 C ATOM 1912 C LEU A 116 124.613 12.555 -2.948 1.00 0.00 C ATOM 1913 O LEU A 116 124.709 13.397 -3.818 1.00 0.00 O ATOM 1914 CB LEU A 116 123.735 10.320 -3.508 1.00 0.00 C ATOM 1915 CG LEU A 116 124.047 8.834 -3.708 1.00 0.00 C ATOM 1916 CD1 LEU A 116 122.743 8.037 -3.640 1.00 0.00 C ATOM 1917 CD2 LEU A 116 124.710 8.606 -5.074 1.00 0.00 C ATOM 0 H LEU A 116 125.199 9.692 -1.617 1.00 0.00 H new ATOM 0 HA LEU A 116 125.721 11.061 -4.038 1.00 0.00 H new ATOM 0 HB2 LEU A 116 123.027 10.442 -2.688 1.00 0.00 H new ATOM 0 HB3 LEU A 116 123.259 10.721 -4.403 1.00 0.00 H new ATOM 0 HG LEU A 116 124.731 8.505 -2.926 1.00 0.00 H new ATOM 0 HD11 LEU A 116 122.956 6.977 -3.782 1.00 0.00 H new ATOM 0 HD12 LEU A 116 122.276 8.186 -2.667 1.00 0.00 H new ATOM 0 HD13 LEU A 116 122.066 8.379 -4.423 1.00 0.00 H new ATOM 0 HD21 LEU A 116 124.926 7.545 -5.201 1.00 0.00 H new ATOM 0 HD22 LEU A 116 124.037 8.937 -5.865 1.00 0.00 H new ATOM 0 HD23 LEU A 116 125.639 9.174 -5.127 1.00 0.00 H new ATOM 1929 N SER A 117 124.117 12.851 -1.777 1.00 0.00 N ATOM 1930 CA SER A 117 123.658 14.242 -1.496 1.00 0.00 C ATOM 1931 C SER A 117 123.739 14.533 0.008 1.00 0.00 C ATOM 1932 O SER A 117 124.294 13.767 0.771 1.00 0.00 O ATOM 1933 CB SER A 117 122.200 14.365 -1.991 1.00 0.00 C ATOM 1934 OG SER A 117 121.756 13.087 -2.422 1.00 0.00 O ATOM 0 H SER A 117 124.010 12.193 -1.005 1.00 0.00 H new ATOM 0 HA SER A 117 124.293 14.964 -2.009 1.00 0.00 H new ATOM 0 HB2 SER A 117 121.560 14.738 -1.191 1.00 0.00 H new ATOM 0 HB3 SER A 117 122.138 15.082 -2.809 1.00 0.00 H new ATOM 0 HG SER A 117 121.505 13.130 -3.368 1.00 0.00 H new ATOM 1940 N THR A 118 123.178 15.643 0.431 1.00 0.00 N ATOM 1941 CA THR A 118 123.195 16.018 1.877 1.00 0.00 C ATOM 1942 C THR A 118 121.749 16.317 2.299 1.00 0.00 C ATOM 1943 O THR A 118 120.948 16.721 1.480 1.00 0.00 O ATOM 1944 CB THR A 118 124.056 17.277 2.048 1.00 0.00 C ATOM 1945 OG1 THR A 118 123.727 18.210 1.030 1.00 0.00 O ATOM 1946 CG2 THR A 118 125.540 16.909 1.943 1.00 0.00 C ATOM 0 H THR A 118 122.703 16.312 -0.175 1.00 0.00 H new ATOM 0 HA THR A 118 123.607 15.215 2.488 1.00 0.00 H new ATOM 0 HB THR A 118 123.864 17.717 3.027 1.00 0.00 H new ATOM 0 HG1 THR A 118 123.952 17.832 0.154 1.00 0.00 H new ATOM 0 HG21 THR A 118 126.147 17.806 2.065 1.00 0.00 H new ATOM 0 HG22 THR A 118 125.793 16.191 2.723 1.00 0.00 H new ATOM 0 HG23 THR A 118 125.737 16.468 0.966 1.00 0.00 H new ATOM 1954 N PRO A 119 121.394 16.120 3.549 1.00 0.00 N ATOM 1955 CA PRO A 119 119.997 16.390 3.984 1.00 0.00 C ATOM 1956 C PRO A 119 119.504 17.770 3.519 1.00 0.00 C ATOM 1957 O PRO A 119 118.317 18.012 3.416 1.00 0.00 O ATOM 1958 CB PRO A 119 120.100 16.297 5.523 1.00 0.00 C ATOM 1959 CG PRO A 119 121.564 15.974 5.895 1.00 0.00 C ATOM 1960 CD PRO A 119 122.325 15.631 4.604 1.00 0.00 C ATOM 0 HA PRO A 119 119.272 15.696 3.559 1.00 0.00 H new ATOM 0 HB2 PRO A 119 119.791 17.236 5.981 1.00 0.00 H new ATOM 0 HB3 PRO A 119 119.433 15.523 5.902 1.00 0.00 H new ATOM 0 HG2 PRO A 119 122.026 16.826 6.393 1.00 0.00 H new ATOM 0 HG3 PRO A 119 121.603 15.137 6.593 1.00 0.00 H new ATOM 0 HD2 PRO A 119 123.292 16.131 4.557 1.00 0.00 H new ATOM 0 HD3 PRO A 119 122.515 14.561 4.515 1.00 0.00 H new ATOM 1968 N ALA A 120 120.405 18.670 3.233 1.00 0.00 N ATOM 1969 CA ALA A 120 119.986 20.027 2.773 1.00 0.00 C ATOM 1970 C ALA A 120 119.381 19.940 1.370 1.00 0.00 C ATOM 1971 O ALA A 120 118.254 20.338 1.135 1.00 0.00 O ATOM 1972 CB ALA A 120 121.197 20.961 2.747 1.00 0.00 C ATOM 0 H ALA A 120 121.413 18.526 3.298 1.00 0.00 H new ATOM 0 HA ALA A 120 119.239 20.419 3.463 1.00 0.00 H new ATOM 0 HB1 ALA A 120 120.886 21.950 2.411 1.00 0.00 H new ATOM 0 HB2 ALA A 120 121.621 21.035 3.748 1.00 0.00 H new ATOM 0 HB3 ALA A 120 121.948 20.564 2.063 1.00 0.00 H new ATOM 1978 N GLU A 121 120.126 19.425 0.431 1.00 0.00 N ATOM 1979 CA GLU A 121 119.602 19.318 -0.955 1.00 0.00 C ATOM 1980 C GLU A 121 118.499 18.265 -0.988 1.00 0.00 C ATOM 1981 O GLU A 121 117.648 18.267 -1.855 1.00 0.00 O ATOM 1982 CB GLU A 121 120.737 18.948 -1.918 1.00 0.00 C ATOM 1983 CG GLU A 121 121.512 17.741 -1.395 1.00 0.00 C ATOM 1984 CD GLU A 121 122.748 17.521 -2.268 1.00 0.00 C ATOM 1985 OE1 GLU A 121 122.591 17.450 -3.476 1.00 0.00 O ATOM 1986 OE2 GLU A 121 123.832 17.432 -1.716 1.00 0.00 O ATOM 0 H GLU A 121 121.074 19.074 0.566 1.00 0.00 H new ATOM 0 HA GLU A 121 119.190 20.276 -1.271 1.00 0.00 H new ATOM 0 HB2 GLU A 121 120.327 18.725 -2.903 1.00 0.00 H new ATOM 0 HB3 GLU A 121 121.411 19.796 -2.037 1.00 0.00 H new ATOM 0 HG2 GLU A 121 121.808 17.905 -0.359 1.00 0.00 H new ATOM 0 HG3 GLU A 121 120.879 16.853 -1.409 1.00 0.00 H new ATOM 1993 N LEU A 122 118.488 17.382 -0.028 1.00 0.00 N ATOM 1994 CA LEU A 122 117.416 16.351 0.015 1.00 0.00 C ATOM 1995 C LEU A 122 116.075 17.069 0.123 1.00 0.00 C ATOM 1996 O LEU A 122 115.129 16.760 -0.575 1.00 0.00 O ATOM 1997 CB LEU A 122 117.618 15.455 1.241 1.00 0.00 C ATOM 1998 CG LEU A 122 116.502 14.401 1.324 1.00 0.00 C ATOM 1999 CD1 LEU A 122 116.509 13.520 0.066 1.00 0.00 C ATOM 2000 CD2 LEU A 122 116.736 13.527 2.562 1.00 0.00 C ATOM 0 H LEU A 122 119.173 17.330 0.726 1.00 0.00 H new ATOM 0 HA LEU A 122 117.445 15.734 -0.883 1.00 0.00 H new ATOM 0 HB2 LEU A 122 118.589 14.962 1.183 1.00 0.00 H new ATOM 0 HB3 LEU A 122 117.622 16.062 2.146 1.00 0.00 H new ATOM 0 HG LEU A 122 115.536 14.902 1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 122 115.714 12.778 0.137 1.00 0.00 H new ATOM 0 HD12 LEU A 122 116.347 14.142 -0.815 1.00 0.00 H new ATOM 0 HD13 LEU A 122 117.471 13.014 -0.019 1.00 0.00 H new ATOM 0 HD21 LEU A 122 115.950 12.775 2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 122 117.704 13.033 2.481 1.00 0.00 H new ATOM 0 HD23 LEU A 122 116.721 14.151 3.456 1.00 0.00 H new ATOM 2012 N GLN A 123 115.995 18.037 0.993 1.00 0.00 N ATOM 2013 CA GLN A 123 114.727 18.793 1.153 1.00 0.00 C ATOM 2014 C GLN A 123 114.387 19.449 -0.182 1.00 0.00 C ATOM 2015 O GLN A 123 113.247 19.474 -0.600 1.00 0.00 O ATOM 2016 CB GLN A 123 114.912 19.865 2.231 1.00 0.00 C ATOM 2017 CG GLN A 123 113.586 20.589 2.486 1.00 0.00 C ATOM 2018 CD GLN A 123 112.561 19.602 3.051 1.00 0.00 C ATOM 2019 OE1 GLN A 123 112.842 18.889 3.994 1.00 0.00 O ATOM 2020 NE2 GLN A 123 111.375 19.534 2.513 1.00 0.00 N ATOM 0 H GLN A 123 116.757 18.336 1.601 1.00 0.00 H new ATOM 0 HA GLN A 123 113.919 18.126 1.453 1.00 0.00 H new ATOM 0 HB2 GLN A 123 115.268 19.407 3.153 1.00 0.00 H new ATOM 0 HB3 GLN A 123 115.672 20.581 1.917 1.00 0.00 H new ATOM 0 HG2 GLN A 123 113.738 21.411 3.185 1.00 0.00 H new ATOM 0 HG3 GLN A 123 113.214 21.024 1.559 1.00 0.00 H new ATOM 0 HE21 GLN A 123 111.139 20.132 1.721 1.00 0.00 H new ATOM 0 HE22 GLN A 123 110.683 18.882 2.884 1.00 0.00 H new ATOM 2029 N ALA A 124 115.372 19.960 -0.868 1.00 0.00 N ATOM 2030 CA ALA A 124 115.095 20.587 -2.186 1.00 0.00 C ATOM 2031 C ALA A 124 114.466 19.523 -3.087 1.00 0.00 C ATOM 2032 O ALA A 124 113.562 19.793 -3.852 1.00 0.00 O ATOM 2033 CB ALA A 124 116.402 21.095 -2.807 1.00 0.00 C ATOM 0 H ALA A 124 116.349 19.970 -0.574 1.00 0.00 H new ATOM 0 HA ALA A 124 114.419 21.434 -2.071 1.00 0.00 H new ATOM 0 HB1 ALA A 124 116.192 21.554 -3.773 1.00 0.00 H new ATOM 0 HB2 ALA A 124 116.856 21.833 -2.146 1.00 0.00 H new ATOM 0 HB3 ALA A 124 117.089 20.260 -2.944 1.00 0.00 H new ATOM 2039 N ALA A 125 114.935 18.308 -2.984 1.00 0.00 N ATOM 2040 CA ALA A 125 114.362 17.214 -3.814 1.00 0.00 C ATOM 2041 C ALA A 125 112.908 16.982 -3.388 1.00 0.00 C ATOM 2042 O ALA A 125 112.019 16.861 -4.209 1.00 0.00 O ATOM 2043 CB ALA A 125 115.178 15.932 -3.591 1.00 0.00 C ATOM 0 H ALA A 125 115.691 18.028 -2.359 1.00 0.00 H new ATOM 0 HA ALA A 125 114.397 17.484 -4.869 1.00 0.00 H new ATOM 0 HB1 ALA A 125 114.763 15.126 -4.197 1.00 0.00 H new ATOM 0 HB2 ALA A 125 116.215 16.106 -3.880 1.00 0.00 H new ATOM 0 HB3 ALA A 125 115.136 15.653 -2.538 1.00 0.00 H new ATOM 2049 N ILE A 126 112.659 16.933 -2.106 1.00 0.00 N ATOM 2050 CA ILE A 126 111.264 16.721 -1.626 1.00 0.00 C ATOM 2051 C ILE A 126 110.428 17.969 -1.915 1.00 0.00 C ATOM 2052 O ILE A 126 109.287 17.887 -2.320 1.00 0.00 O ATOM 2053 CB ILE A 126 111.287 16.465 -0.117 1.00 0.00 C ATOM 2054 CG1 ILE A 126 112.073 15.183 0.167 1.00 0.00 C ATOM 2055 CG2 ILE A 126 109.854 16.312 0.400 1.00 0.00 C ATOM 2056 CD1 ILE A 126 112.315 15.052 1.673 1.00 0.00 C ATOM 0 H ILE A 126 113.361 17.031 -1.372 1.00 0.00 H new ATOM 0 HA ILE A 126 110.826 15.865 -2.140 1.00 0.00 H new ATOM 0 HB ILE A 126 111.764 17.305 0.387 1.00 0.00 H new ATOM 0 HG12 ILE A 126 111.521 14.317 -0.200 1.00 0.00 H new ATOM 0 HG13 ILE A 126 113.025 15.203 -0.364 1.00 0.00 H new ATOM 0 HG21 ILE A 126 109.872 16.130 1.475 1.00 0.00 H new ATOM 0 HG22 ILE A 126 109.294 17.225 0.196 1.00 0.00 H new ATOM 0 HG23 ILE A 126 109.374 15.472 -0.102 1.00 0.00 H new ATOM 0 HD11 ILE A 126 112.875 14.138 1.873 1.00 0.00 H new ATOM 0 HD12 ILE A 126 112.885 15.912 2.026 1.00 0.00 H new ATOM 0 HD13 ILE A 126 111.358 15.013 2.193 1.00 0.00 H new