USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 732 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 Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 142:sc= 0.109 USER MOD Single : A 46 ASN :FLIP amide:sc= -0.797 F(o=-1.7,f=-0.8) USER MOD Single : A 48 GLN : amide:sc= -0.0198 K(o=-0.02,f=-2.7!) USER MOD Single : A 49 SER OG : rot 180:sc= 0.159 USER MOD Single : A 50 SER OG : rot 180:sc= 0.473 USER MOD Single : A 53 ASN : amide:sc= -2.72! C(o=-2.7!,f=-9.9!) USER MOD Single : A 55 TYR OH : rot 80:sc= 0.0697 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 175:sc= 1.37 USER MOD Single : A 74 LYS NZ :NH3+ 157:sc= -0.957 (180deg=-2.12) USER MOD Single : A 77 SER OG : rot 180:sc= -0.165 USER MOD Single : A 79 THR OG1 : rot -160:sc= -0.309 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 160:sc= -0.371 USER MOD Single : A 89 THR OG1 : rot 46:sc= 0.191 USER MOD Single : A 91 GLN : amide:sc= -0.7 K(o=-0.7,f=-4.1!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 LYS NZ :NH3+ -166:sc= 0.78 (180deg=0.666) USER MOD Single : A 106 GLN : amide:sc= -0.258 K(o=-0.26,f=-1.3) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 GLN :FLIP amide:sc= -0.0801 F(o=-0.68,f=-0.08) USER MOD Single : A 117 LYS NZ :NH3+ -148:sc= 1.2 (180deg=0.353) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 101 N SER A 33 11.227 5.730 1.744 1.00 0.00 N ATOM 102 CA SER A 33 11.475 4.374 2.319 1.00 0.00 C ATOM 103 C SER A 33 10.499 3.356 1.723 1.00 0.00 C ATOM 104 O SER A 33 9.727 3.669 0.834 1.00 0.00 O ATOM 105 CB SER A 33 11.253 4.526 3.826 1.00 0.00 C ATOM 106 OG SER A 33 12.509 4.728 4.466 1.00 0.00 O ATOM 0 HA SER A 33 12.479 4.012 2.097 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.590 5.368 4.025 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.767 3.636 4.226 1.00 0.00 H new ATOM 0 HG SER A 33 12.372 4.828 5.431 1.00 0.00 H new ATOM 112 N TYR A 34 10.532 2.139 2.207 1.00 0.00 N ATOM 113 CA TYR A 34 9.609 1.087 1.677 1.00 0.00 C ATOM 114 C TYR A 34 8.149 1.526 1.838 1.00 0.00 C ATOM 115 O TYR A 34 7.308 1.208 1.021 1.00 0.00 O ATOM 116 CB TYR A 34 9.894 -0.164 2.519 1.00 0.00 C ATOM 117 CG TYR A 34 8.909 -1.256 2.160 1.00 0.00 C ATOM 118 CD1 TYR A 34 9.156 -2.094 1.065 1.00 0.00 C ATOM 119 CD2 TYR A 34 7.746 -1.425 2.922 1.00 0.00 C ATOM 120 CE1 TYR A 34 8.240 -3.099 0.732 1.00 0.00 C ATOM 121 CE2 TYR A 34 6.831 -2.430 2.590 1.00 0.00 C ATOM 122 CZ TYR A 34 7.077 -3.268 1.495 1.00 0.00 C ATOM 123 OH TYR A 34 6.171 -4.258 1.166 1.00 0.00 O ATOM 0 H TYR A 34 11.160 1.828 2.948 1.00 0.00 H new ATOM 0 HA TYR A 34 9.767 0.903 0.614 1.00 0.00 H new ATOM 0 HB2 TYR A 34 10.913 -0.508 2.343 1.00 0.00 H new ATOM 0 HB3 TYR A 34 9.817 0.074 3.580 1.00 0.00 H new ATOM 0 HD1 TYR A 34 10.053 -1.965 0.478 1.00 0.00 H new ATOM 0 HD2 TYR A 34 7.555 -0.779 3.766 1.00 0.00 H new ATOM 0 HE1 TYR A 34 8.430 -3.744 -0.113 1.00 0.00 H new ATOM 0 HE2 TYR A 34 5.935 -2.560 3.178 1.00 0.00 H new ATOM 0 HH TYR A 34 5.816 -4.662 1.985 1.00 0.00 H new ATOM 133 N ARG A 35 7.845 2.256 2.883 1.00 0.00 N ATOM 134 CA ARG A 35 6.437 2.716 3.092 1.00 0.00 C ATOM 135 C ARG A 35 6.032 3.710 1.997 1.00 0.00 C ATOM 136 O ARG A 35 4.916 3.690 1.516 1.00 0.00 O ATOM 137 CB ARG A 35 6.428 3.390 4.467 1.00 0.00 C ATOM 138 CG ARG A 35 5.041 3.248 5.100 1.00 0.00 C ATOM 139 CD ARG A 35 4.973 1.943 5.900 1.00 0.00 C ATOM 140 NE ARG A 35 3.517 1.677 6.083 1.00 0.00 N ATOM 141 CZ ARG A 35 3.036 1.468 7.279 1.00 0.00 C ATOM 142 NH1 ARG A 35 3.083 0.270 7.801 1.00 0.00 N ATOM 143 NH2 ARG A 35 2.510 2.458 7.952 1.00 0.00 N ATOM 0 H ARG A 35 8.509 2.553 3.598 1.00 0.00 H new ATOM 0 HA ARG A 35 5.727 1.890 3.045 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.181 2.935 5.111 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.687 4.444 4.368 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.839 4.097 5.753 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.274 3.252 4.325 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.459 1.127 5.366 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.480 2.042 6.860 1.00 0.00 H new ATOM 0 HE ARG A 35 2.897 1.658 5.274 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.495 -0.500 7.274 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.708 0.106 8.735 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.476 3.392 7.543 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.134 2.297 8.886 1.00 0.00 H new ATOM 157 N GLU A 36 6.936 4.567 1.594 1.00 0.00 N ATOM 158 CA GLU A 36 6.610 5.554 0.520 1.00 0.00 C ATOM 159 C GLU A 36 6.495 4.837 -0.828 1.00 0.00 C ATOM 160 O GLU A 36 5.666 5.177 -1.650 1.00 0.00 O ATOM 161 CB GLU A 36 7.776 6.546 0.511 1.00 0.00 C ATOM 162 CG GLU A 36 7.636 7.512 1.692 1.00 0.00 C ATOM 163 CD GLU A 36 8.041 8.922 1.257 1.00 0.00 C ATOM 164 OE1 GLU A 36 7.211 9.603 0.678 1.00 0.00 O ATOM 165 OE2 GLU A 36 9.173 9.297 1.512 1.00 0.00 O ATOM 0 H GLU A 36 7.885 4.626 1.962 1.00 0.00 H new ATOM 0 HA GLU A 36 5.660 6.059 0.696 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.723 6.010 0.576 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.788 7.101 -0.427 1.00 0.00 H new ATOM 0 HG2 GLU A 36 6.607 7.514 2.053 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.263 7.182 2.520 1.00 0.00 H new ATOM 172 N ALA A 37 7.314 3.837 -1.054 1.00 0.00 N ATOM 173 CA ALA A 37 7.247 3.085 -2.344 1.00 0.00 C ATOM 174 C ALA A 37 5.903 2.354 -2.456 1.00 0.00 C ATOM 175 O ALA A 37 5.301 2.310 -3.512 1.00 0.00 O ATOM 176 CB ALA A 37 8.406 2.084 -2.296 1.00 0.00 C ATOM 0 H ALA A 37 8.025 3.510 -0.400 1.00 0.00 H new ATOM 0 HA ALA A 37 7.326 3.744 -3.208 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.417 1.496 -3.214 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.348 2.623 -2.198 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.278 1.420 -1.441 1.00 0.00 H new ATOM 182 N VAL A 38 5.425 1.791 -1.370 1.00 0.00 N ATOM 183 CA VAL A 38 4.112 1.074 -1.408 1.00 0.00 C ATOM 184 C VAL A 38 2.977 2.083 -1.618 1.00 0.00 C ATOM 185 O VAL A 38 2.011 1.802 -2.302 1.00 0.00 O ATOM 186 CB VAL A 38 3.980 0.378 -0.047 1.00 0.00 C ATOM 187 CG1 VAL A 38 2.675 -0.420 0.000 1.00 0.00 C ATOM 188 CG2 VAL A 38 5.158 -0.580 0.164 1.00 0.00 C ATOM 0 H VAL A 38 5.888 1.798 -0.461 1.00 0.00 H new ATOM 0 HA VAL A 38 4.058 0.354 -2.225 1.00 0.00 H new ATOM 0 HB VAL A 38 3.978 1.134 0.738 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.585 -0.913 0.968 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.831 0.254 -0.144 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.679 -1.171 -0.790 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.059 -1.071 1.132 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.162 -1.331 -0.626 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.092 -0.019 0.136 1.00 0.00 H new ATOM 198 N LEU A 39 3.094 3.261 -1.049 1.00 0.00 N ATOM 199 CA LEU A 39 2.028 4.295 -1.233 1.00 0.00 C ATOM 200 C LEU A 39 1.921 4.665 -2.714 1.00 0.00 C ATOM 201 O LEU A 39 0.840 4.767 -3.261 1.00 0.00 O ATOM 202 CB LEU A 39 2.484 5.506 -0.412 1.00 0.00 C ATOM 203 CG LEU A 39 2.125 5.297 1.060 1.00 0.00 C ATOM 204 CD1 LEU A 39 2.925 6.275 1.925 1.00 0.00 C ATOM 205 CD2 LEU A 39 0.628 5.547 1.263 1.00 0.00 C ATOM 0 H LEU A 39 3.880 3.549 -0.467 1.00 0.00 H new ATOM 0 HA LEU A 39 1.049 3.940 -0.911 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.560 5.644 -0.518 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.008 6.412 -0.787 1.00 0.00 H new ATOM 0 HG LEU A 39 2.365 4.274 1.349 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.669 6.126 2.974 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.991 6.098 1.783 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.685 7.298 1.635 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.373 5.398 2.312 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.387 6.570 0.973 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.056 4.852 0.648 1.00 0.00 H new ATOM 217 N ARG A 40 3.041 4.850 -3.368 1.00 0.00 N ATOM 218 CA ARG A 40 3.010 5.197 -4.820 1.00 0.00 C ATOM 219 C ARG A 40 2.661 3.953 -5.645 1.00 0.00 C ATOM 220 O ARG A 40 1.996 4.044 -6.657 1.00 0.00 O ATOM 221 CB ARG A 40 4.419 5.698 -5.157 1.00 0.00 C ATOM 222 CG ARG A 40 4.390 7.218 -5.355 1.00 0.00 C ATOM 223 CD ARG A 40 4.952 7.570 -6.737 1.00 0.00 C ATOM 224 NE ARG A 40 3.995 8.565 -7.304 1.00 0.00 N ATOM 225 CZ ARG A 40 4.212 9.846 -7.152 1.00 0.00 C ATOM 226 NH1 ARG A 40 5.219 10.415 -7.763 1.00 0.00 N ATOM 227 NH2 ARG A 40 3.420 10.556 -6.391 1.00 0.00 N ATOM 0 H ARG A 40 3.973 4.776 -2.959 1.00 0.00 H new ATOM 0 HA ARG A 40 2.259 5.954 -5.046 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.110 5.439 -4.355 1.00 0.00 H new ATOM 0 HB3 ARG A 40 4.783 5.210 -6.061 1.00 0.00 H new ATOM 0 HG2 ARG A 40 3.369 7.587 -5.262 1.00 0.00 H new ATOM 0 HG3 ARG A 40 4.977 7.707 -4.578 1.00 0.00 H new ATOM 0 HD2 ARG A 40 5.956 7.988 -6.660 1.00 0.00 H new ATOM 0 HD3 ARG A 40 5.023 6.686 -7.371 1.00 0.00 H new ATOM 0 HE ARG A 40 3.170 8.245 -7.811 1.00 0.00 H new ATOM 0 HH11 ARG A 40 5.834 9.860 -8.358 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.389 11.414 -7.645 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.634 10.111 -5.917 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.588 11.555 -6.272 1.00 0.00 H new ATOM 241 N ALA A 41 3.100 2.792 -5.210 1.00 0.00 N ATOM 242 CA ALA A 41 2.789 1.534 -5.956 1.00 0.00 C ATOM 243 C ALA A 41 1.296 1.211 -5.838 1.00 0.00 C ATOM 244 O ALA A 41 0.676 0.767 -6.786 1.00 0.00 O ATOM 245 CB ALA A 41 3.626 0.444 -5.281 1.00 0.00 C ATOM 0 H ALA A 41 3.661 2.665 -4.368 1.00 0.00 H new ATOM 0 HA ALA A 41 3.019 1.619 -7.018 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.449 -0.510 -5.777 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.683 0.700 -5.354 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.343 0.366 -4.231 1.00 0.00 H new ATOM 251 N VAL A 42 0.713 1.441 -4.685 1.00 0.00 N ATOM 252 CA VAL A 42 -0.742 1.157 -4.511 1.00 0.00 C ATOM 253 C VAL A 42 -1.556 2.087 -5.418 1.00 0.00 C ATOM 254 O VAL A 42 -2.450 1.648 -6.116 1.00 0.00 O ATOM 255 CB VAL A 42 -1.030 1.421 -3.027 1.00 0.00 C ATOM 256 CG1 VAL A 42 -2.522 1.702 -2.818 1.00 0.00 C ATOM 257 CG2 VAL A 42 -0.631 0.190 -2.211 1.00 0.00 C ATOM 0 H VAL A 42 1.184 1.813 -3.860 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.012 0.137 -4.784 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.456 2.289 -2.702 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.713 1.888 -1.761 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.812 2.578 -3.398 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.104 0.841 -3.146 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.833 0.372 -1.156 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.207 -0.672 -2.548 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.432 -0.008 -2.348 1.00 0.00 H new ATOM 267 N ASP A 43 -1.239 3.361 -5.431 1.00 0.00 N ATOM 268 CA ASP A 43 -1.986 4.306 -6.315 1.00 0.00 C ATOM 269 C ASP A 43 -1.711 3.960 -7.783 1.00 0.00 C ATOM 270 O ASP A 43 -2.602 3.990 -8.612 1.00 0.00 O ATOM 271 CB ASP A 43 -1.448 5.703 -5.974 1.00 0.00 C ATOM 272 CG ASP A 43 -2.591 6.731 -5.947 1.00 0.00 C ATOM 273 OD1 ASP A 43 -3.653 6.443 -6.482 1.00 0.00 O ATOM 274 OD2 ASP A 43 -2.379 7.798 -5.395 1.00 0.00 O ATOM 0 H ASP A 43 -0.499 3.783 -4.870 1.00 0.00 H new ATOM 0 HA ASP A 43 -3.064 4.252 -6.164 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.949 5.680 -5.005 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.701 6.001 -6.710 1.00 0.00 H new ATOM 279 N ARG A 44 -0.486 3.608 -8.103 1.00 0.00 N ATOM 280 CA ARG A 44 -0.152 3.232 -9.512 1.00 0.00 C ATOM 281 C ARG A 44 -0.915 1.961 -9.895 1.00 0.00 C ATOM 282 O ARG A 44 -1.428 1.841 -10.990 1.00 0.00 O ATOM 283 CB ARG A 44 1.358 2.966 -9.525 1.00 0.00 C ATOM 284 CG ARG A 44 2.049 3.958 -10.461 1.00 0.00 C ATOM 285 CD ARG A 44 3.282 4.544 -9.767 1.00 0.00 C ATOM 286 NE ARG A 44 3.883 5.466 -10.770 1.00 0.00 N ATOM 287 CZ ARG A 44 3.868 6.753 -10.560 1.00 0.00 C ATOM 288 NH1 ARG A 44 2.730 7.398 -10.543 1.00 0.00 N ATOM 289 NH2 ARG A 44 4.989 7.392 -10.364 1.00 0.00 N ATOM 0 H ARG A 44 0.295 3.566 -7.448 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.425 4.013 -10.221 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.762 3.060 -8.517 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.554 1.945 -9.853 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.342 3.459 -11.385 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.359 4.756 -10.735 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.007 5.076 -8.856 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.984 3.761 -9.480 1.00 0.00 H new ATOM 0 HE ARG A 44 4.306 5.092 -11.620 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.856 6.894 -10.694 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.717 8.405 -10.379 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.874 6.885 -10.375 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.980 8.399 -10.200 1.00 0.00 H new ATOM 303 N LEU A 45 -0.995 1.018 -8.987 1.00 0.00 N ATOM 304 CA LEU A 45 -1.727 -0.252 -9.268 1.00 0.00 C ATOM 305 C LEU A 45 -3.192 0.047 -9.606 1.00 0.00 C ATOM 306 O LEU A 45 -3.755 -0.520 -10.522 1.00 0.00 O ATOM 307 CB LEU A 45 -1.623 -1.056 -7.966 1.00 0.00 C ATOM 308 CG LEU A 45 -2.372 -2.386 -8.105 1.00 0.00 C ATOM 309 CD1 LEU A 45 -1.536 -3.504 -7.484 1.00 0.00 C ATOM 310 CD2 LEU A 45 -3.715 -2.296 -7.375 1.00 0.00 C ATOM 0 H LEU A 45 -0.580 1.077 -8.057 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.313 -0.795 -10.118 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.576 -1.243 -7.728 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.040 -0.480 -7.140 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.544 -2.597 -9.160 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.066 -4.452 -7.581 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.577 -3.570 -7.998 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.368 -3.289 -6.429 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.247 -3.242 -7.474 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.542 -2.086 -6.320 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.313 -1.496 -7.811 1.00 0.00 H new ATOM 322 N ASN A 46 -3.807 0.935 -8.870 1.00 0.00 N ATOM 323 CA ASN A 46 -5.237 1.275 -9.141 1.00 0.00 C ATOM 324 C ASN A 46 -5.366 2.143 -10.400 1.00 0.00 C ATOM 325 O ASN A 46 -6.409 2.182 -11.017 1.00 0.00 O ATOM 326 CB ASN A 46 -5.720 2.042 -7.903 1.00 0.00 C ATOM 327 CG ASN A 46 -5.590 1.158 -6.656 1.00 0.00 C ATOM 328 OD1 ASN A 46 -6.009 -0.078 -6.690 1.00 0.00 O flip ATOM 329 ND2 ASN A 46 -5.100 1.600 -5.638 1.00 0.00 N flip ATOM 0 H ASN A 46 -3.382 1.440 -8.093 1.00 0.00 H new ATOM 0 HA ASN A 46 -5.833 0.380 -9.320 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -5.133 2.952 -7.777 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -6.758 2.348 -8.036 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -4.771 2.565 -5.607 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -5.017 1.006 -4.813 1.00 0.00 H new ATOM 336 N GLU A 47 -4.323 2.834 -10.788 1.00 0.00 N ATOM 337 CA GLU A 47 -4.403 3.688 -12.011 1.00 0.00 C ATOM 338 C GLU A 47 -4.058 2.872 -13.265 1.00 0.00 C ATOM 339 O GLU A 47 -4.633 3.072 -14.318 1.00 0.00 O ATOM 340 CB GLU A 47 -3.372 4.797 -11.794 1.00 0.00 C ATOM 341 CG GLU A 47 -3.536 5.867 -12.877 1.00 0.00 C ATOM 342 CD GLU A 47 -2.987 7.199 -12.365 1.00 0.00 C ATOM 343 OE1 GLU A 47 -3.735 7.918 -11.724 1.00 0.00 O ATOM 344 OE2 GLU A 47 -1.827 7.477 -12.622 1.00 0.00 O ATOM 0 H GLU A 47 -3.421 2.843 -10.311 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.406 4.086 -12.163 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.502 5.241 -10.807 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.364 4.383 -11.827 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.008 5.568 -13.782 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.588 5.973 -13.142 1.00 0.00 H new ATOM 351 N GLN A 48 -3.120 1.960 -13.160 1.00 0.00 N ATOM 352 CA GLN A 48 -2.728 1.138 -14.350 1.00 0.00 C ATOM 353 C GLN A 48 -3.669 -0.064 -14.530 1.00 0.00 C ATOM 354 O GLN A 48 -3.857 -0.542 -15.631 1.00 0.00 O ATOM 355 CB GLN A 48 -1.287 0.676 -14.076 1.00 0.00 C ATOM 356 CG GLN A 48 -1.255 -0.334 -12.921 1.00 0.00 C ATOM 357 CD GLN A 48 -0.997 -1.738 -13.473 1.00 0.00 C ATOM 358 OE1 GLN A 48 -1.921 -2.483 -13.733 1.00 0.00 O ATOM 359 NE2 GLN A 48 0.232 -2.135 -13.666 1.00 0.00 N ATOM 0 H GLN A 48 -2.609 1.749 -12.302 1.00 0.00 H new ATOM 0 HA GLN A 48 -2.796 1.714 -15.273 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.867 0.223 -14.974 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.664 1.536 -13.832 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -0.475 -0.063 -12.209 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.201 -0.313 -12.380 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.009 -1.512 -13.449 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.415 -3.069 -14.034 1.00 0.00 H new ATOM 368 N SER A 49 -4.262 -0.554 -13.467 1.00 0.00 N ATOM 369 CA SER A 49 -5.191 -1.721 -13.593 1.00 0.00 C ATOM 370 C SER A 49 -6.566 -1.249 -14.077 1.00 0.00 C ATOM 371 O SER A 49 -6.709 -0.153 -14.587 1.00 0.00 O ATOM 372 CB SER A 49 -5.284 -2.306 -12.180 1.00 0.00 C ATOM 373 OG SER A 49 -5.900 -3.586 -12.237 1.00 0.00 O ATOM 0 H SER A 49 -4.143 -0.196 -12.519 1.00 0.00 H new ATOM 0 HA SER A 49 -4.838 -2.458 -14.314 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.289 -2.389 -11.743 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.861 -1.641 -11.537 1.00 0.00 H new ATOM 0 HG SER A 49 -5.958 -3.962 -11.334 1.00 0.00 H new ATOM 379 N SER A 50 -7.577 -2.065 -13.915 1.00 0.00 N ATOM 380 CA SER A 50 -8.949 -1.670 -14.349 1.00 0.00 C ATOM 381 C SER A 50 -9.899 -1.719 -13.142 1.00 0.00 C ATOM 382 O SER A 50 -10.090 -0.726 -12.462 1.00 0.00 O ATOM 383 CB SER A 50 -9.348 -2.688 -15.428 1.00 0.00 C ATOM 384 OG SER A 50 -9.215 -4.011 -14.916 1.00 0.00 O ATOM 0 H SER A 50 -7.509 -2.993 -13.498 1.00 0.00 H new ATOM 0 HA SER A 50 -8.993 -0.655 -14.744 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.376 -2.512 -15.744 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.718 -2.564 -16.309 1.00 0.00 H new ATOM 0 HG SER A 50 -9.472 -4.657 -15.607 1.00 0.00 H new ATOM 390 N GLU A 51 -10.473 -2.871 -12.861 1.00 0.00 N ATOM 391 CA GLU A 51 -11.399 -3.012 -11.689 1.00 0.00 C ATOM 392 C GLU A 51 -12.585 -2.036 -11.788 1.00 0.00 C ATOM 393 O GLU A 51 -12.703 -1.272 -12.728 1.00 0.00 O ATOM 394 CB GLU A 51 -10.533 -2.692 -10.464 1.00 0.00 C ATOM 395 CG GLU A 51 -10.636 -3.830 -9.443 1.00 0.00 C ATOM 396 CD GLU A 51 -9.878 -5.062 -9.950 1.00 0.00 C ATOM 397 OE1 GLU A 51 -8.681 -4.950 -10.176 1.00 0.00 O ATOM 398 OE2 GLU A 51 -10.505 -6.098 -10.095 1.00 0.00 O ATOM 0 H GLU A 51 -10.337 -3.726 -13.400 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.837 -4.009 -11.639 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.495 -2.556 -10.767 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -10.859 -1.755 -10.012 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.225 -3.509 -8.486 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.683 -4.082 -9.272 1.00 0.00 H new ATOM 405 N ALA A 52 -13.464 -2.063 -10.816 1.00 0.00 N ATOM 406 CA ALA A 52 -14.643 -1.146 -10.834 1.00 0.00 C ATOM 407 C ALA A 52 -14.520 -0.102 -9.716 1.00 0.00 C ATOM 408 O ALA A 52 -14.640 1.086 -9.949 1.00 0.00 O ATOM 409 CB ALA A 52 -15.857 -2.048 -10.599 1.00 0.00 C ATOM 0 H ALA A 52 -13.414 -2.684 -10.008 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.723 -0.597 -11.772 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.764 -1.444 -10.599 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -15.917 -2.792 -11.393 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.756 -2.551 -9.637 1.00 0.00 H new ATOM 415 N ASN A 53 -14.283 -0.540 -8.503 1.00 0.00 N ATOM 416 CA ASN A 53 -14.153 0.422 -7.366 1.00 0.00 C ATOM 417 C ASN A 53 -12.675 0.670 -7.040 1.00 0.00 C ATOM 418 O ASN A 53 -11.800 -0.053 -7.482 1.00 0.00 O ATOM 419 CB ASN A 53 -14.855 -0.260 -6.184 1.00 0.00 C ATOM 420 CG ASN A 53 -15.398 0.799 -5.215 1.00 0.00 C ATOM 421 OD1 ASN A 53 -14.945 1.926 -5.204 1.00 0.00 O ATOM 422 ND2 ASN A 53 -16.360 0.480 -4.393 1.00 0.00 N ATOM 0 H ASN A 53 -14.174 -1.523 -8.252 1.00 0.00 H new ATOM 0 HA ASN A 53 -14.592 1.392 -7.599 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.671 -0.886 -6.546 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -14.156 -0.916 -5.665 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -16.729 1.176 -3.745 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -16.743 -0.465 -4.399 1.00 0.00 H new ATOM 429 N LEU A 54 -12.395 1.686 -6.261 1.00 0.00 N ATOM 430 CA LEU A 54 -10.977 1.982 -5.890 1.00 0.00 C ATOM 431 C LEU A 54 -10.500 0.990 -4.827 1.00 0.00 C ATOM 432 O LEU A 54 -11.293 0.315 -4.199 1.00 0.00 O ATOM 433 CB LEU A 54 -10.988 3.404 -5.318 1.00 0.00 C ATOM 434 CG LEU A 54 -10.623 4.409 -6.413 1.00 0.00 C ATOM 435 CD1 LEU A 54 -10.789 5.829 -5.872 1.00 0.00 C ATOM 436 CD2 LEU A 54 -9.168 4.198 -6.842 1.00 0.00 C ATOM 0 H LEU A 54 -13.087 2.323 -5.866 1.00 0.00 H new ATOM 0 HA LEU A 54 -10.306 1.897 -6.745 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -11.974 3.635 -4.914 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -10.280 3.479 -4.493 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.279 4.263 -7.271 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -10.530 6.547 -6.650 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -11.824 5.983 -5.566 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.132 5.971 -5.014 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.911 4.915 -7.622 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.511 4.343 -5.984 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.045 3.185 -7.226 1.00 0.00 H new ATOM 448 N TYR A 55 -9.213 0.899 -4.618 1.00 0.00 N ATOM 449 CA TYR A 55 -8.690 -0.051 -3.593 1.00 0.00 C ATOM 450 C TYR A 55 -7.523 0.578 -2.828 1.00 0.00 C ATOM 451 O TYR A 55 -6.373 0.432 -3.200 1.00 0.00 O ATOM 452 CB TYR A 55 -8.209 -1.272 -4.381 1.00 0.00 C ATOM 453 CG TYR A 55 -9.345 -2.248 -4.567 1.00 0.00 C ATOM 454 CD1 TYR A 55 -9.780 -3.033 -3.491 1.00 0.00 C ATOM 455 CD2 TYR A 55 -9.960 -2.374 -5.819 1.00 0.00 C ATOM 456 CE1 TYR A 55 -10.828 -3.942 -3.668 1.00 0.00 C ATOM 457 CE2 TYR A 55 -11.009 -3.282 -5.994 1.00 0.00 C ATOM 458 CZ TYR A 55 -11.442 -4.066 -4.918 1.00 0.00 C ATOM 459 OH TYR A 55 -12.472 -4.964 -5.092 1.00 0.00 O ATOM 0 H TYR A 55 -8.503 1.440 -5.112 1.00 0.00 H new ATOM 0 HA TYR A 55 -9.451 -0.313 -2.858 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -7.825 -0.960 -5.352 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -7.387 -1.755 -3.853 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -9.306 -2.936 -2.525 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.624 -1.770 -6.649 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -11.163 -4.548 -2.839 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -11.485 -3.378 -6.959 1.00 0.00 H new ATOM 0 HH TYR A 55 -13.305 -4.576 -4.753 1.00 0.00 H new ATOM 469 N ARG A 56 -7.808 1.265 -1.753 1.00 0.00 N ATOM 470 CA ARG A 56 -6.712 1.887 -0.955 1.00 0.00 C ATOM 471 C ARG A 56 -6.002 0.804 -0.139 1.00 0.00 C ATOM 472 O ARG A 56 -6.624 -0.133 0.327 1.00 0.00 O ATOM 473 CB ARG A 56 -7.397 2.894 -0.027 1.00 0.00 C ATOM 474 CG ARG A 56 -6.421 4.022 0.317 1.00 0.00 C ATOM 475 CD ARG A 56 -5.510 3.588 1.474 1.00 0.00 C ATOM 476 NE ARG A 56 -6.185 4.072 2.712 1.00 0.00 N ATOM 477 CZ ARG A 56 -5.526 4.128 3.840 1.00 0.00 C ATOM 478 NH1 ARG A 56 -4.968 3.049 4.326 1.00 0.00 N ATOM 479 NH2 ARG A 56 -5.426 5.265 4.480 1.00 0.00 N ATOM 0 H ARG A 56 -8.750 1.422 -1.394 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.965 2.372 -1.583 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.285 3.302 -0.509 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.729 2.397 0.884 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.820 4.274 -0.557 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.973 4.920 0.594 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.386 2.505 1.492 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.515 4.021 1.374 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.163 4.360 2.679 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.047 2.164 3.825 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.454 3.093 5.206 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.862 6.105 4.099 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.913 5.311 5.360 1.00 0.00 H new ATOM 493 N LEU A 57 -4.711 0.924 0.039 1.00 0.00 N ATOM 494 CA LEU A 57 -3.965 -0.101 0.831 1.00 0.00 C ATOM 495 C LEU A 57 -4.533 -0.191 2.250 1.00 0.00 C ATOM 496 O LEU A 57 -4.504 0.763 3.004 1.00 0.00 O ATOM 497 CB LEU A 57 -2.513 0.384 0.864 1.00 0.00 C ATOM 498 CG LEU A 57 -1.636 -0.677 1.539 1.00 0.00 C ATOM 499 CD1 LEU A 57 -0.272 -0.725 0.852 1.00 0.00 C ATOM 500 CD2 LEU A 57 -1.447 -0.328 3.019 1.00 0.00 C ATOM 0 H LEU A 57 -4.142 1.686 -0.329 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.047 -1.095 0.390 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.158 0.574 -0.149 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.445 1.327 1.407 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.122 -1.649 1.456 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.351 -1.479 1.332 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.403 -0.979 -0.200 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.211 0.249 0.933 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.823 -1.085 3.494 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.965 0.646 3.104 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.418 -0.296 3.512 1.00 0.00 H new ATOM 512 N LEU A 58 -5.036 -1.338 2.617 1.00 0.00 N ATOM 513 CA LEU A 58 -5.594 -1.514 3.986 1.00 0.00 C ATOM 514 C LEU A 58 -4.489 -2.018 4.918 1.00 0.00 C ATOM 515 O LEU A 58 -4.313 -1.519 6.013 1.00 0.00 O ATOM 516 CB LEU A 58 -6.701 -2.563 3.834 1.00 0.00 C ATOM 517 CG LEU A 58 -7.449 -2.715 5.160 1.00 0.00 C ATOM 518 CD1 LEU A 58 -8.425 -1.548 5.336 1.00 0.00 C ATOM 519 CD2 LEU A 58 -8.227 -4.034 5.159 1.00 0.00 C ATOM 0 H LEU A 58 -5.084 -2.165 2.023 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.981 -0.588 4.410 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.393 -2.265 3.047 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.271 -3.519 3.535 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.732 -2.715 5.981 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.957 -1.658 6.281 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.872 -0.609 5.338 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.141 -1.546 4.515 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -8.760 -4.143 6.104 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -8.942 -4.034 4.337 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.533 -4.866 5.036 1.00 0.00 H new ATOM 531 N GLU A 59 -3.739 -2.999 4.478 1.00 0.00 N ATOM 532 CA GLU A 59 -2.633 -3.542 5.319 1.00 0.00 C ATOM 533 C GLU A 59 -1.371 -3.739 4.467 1.00 0.00 C ATOM 534 O GLU A 59 -1.439 -4.157 3.326 1.00 0.00 O ATOM 535 CB GLU A 59 -3.152 -4.886 5.842 1.00 0.00 C ATOM 536 CG GLU A 59 -3.471 -4.771 7.338 1.00 0.00 C ATOM 537 CD GLU A 59 -4.985 -4.631 7.538 1.00 0.00 C ATOM 538 OE1 GLU A 59 -5.680 -5.622 7.376 1.00 0.00 O ATOM 539 OE2 GLU A 59 -5.423 -3.537 7.853 1.00 0.00 O ATOM 0 H GLU A 59 -3.848 -3.447 3.568 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.363 -2.870 6.134 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.045 -5.181 5.292 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.406 -5.663 5.678 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.105 -5.652 7.866 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.958 -3.909 7.763 1.00 0.00 H new ATOM 546 N LEU A 60 -0.221 -3.441 5.019 1.00 0.00 N ATOM 547 CA LEU A 60 1.054 -3.606 4.258 1.00 0.00 C ATOM 548 C LEU A 60 1.850 -4.785 4.826 1.00 0.00 C ATOM 549 O LEU A 60 1.824 -5.053 6.014 1.00 0.00 O ATOM 550 CB LEU A 60 1.811 -2.289 4.459 1.00 0.00 C ATOM 551 CG LEU A 60 3.239 -2.408 3.911 1.00 0.00 C ATOM 552 CD1 LEU A 60 3.205 -2.488 2.383 1.00 0.00 C ATOM 553 CD2 LEU A 60 4.049 -1.180 4.336 1.00 0.00 C ATOM 0 H LEU A 60 -0.111 -3.088 5.970 1.00 0.00 H new ATOM 0 HA LEU A 60 0.887 -3.815 3.201 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.286 -1.479 3.953 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.841 -2.037 5.519 1.00 0.00 H new ATOM 0 HG LEU A 60 3.702 -3.311 4.308 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.222 -2.572 2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.629 -3.361 2.077 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.740 -1.588 1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.064 -1.262 3.948 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.580 -0.280 3.939 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.080 -1.123 5.424 1.00 0.00 H new ATOM 565 N ASP A 61 2.554 -5.487 3.981 1.00 0.00 N ATOM 566 CA ASP A 61 3.356 -6.655 4.448 1.00 0.00 C ATOM 567 C ASP A 61 4.840 -6.282 4.559 1.00 0.00 C ATOM 568 O ASP A 61 5.281 -5.279 4.028 1.00 0.00 O ATOM 569 CB ASP A 61 3.149 -7.722 3.370 1.00 0.00 C ATOM 570 CG ASP A 61 3.796 -9.038 3.807 1.00 0.00 C ATOM 571 OD1 ASP A 61 3.394 -9.565 4.832 1.00 0.00 O ATOM 572 OD2 ASP A 61 4.686 -9.495 3.109 1.00 0.00 O ATOM 0 H ASP A 61 2.609 -5.301 2.980 1.00 0.00 H new ATOM 0 HA ASP A 61 3.048 -6.999 5.435 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.084 -7.871 3.194 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.584 -7.388 2.428 1.00 0.00 H new ATOM 577 N GLN A 62 5.610 -7.092 5.244 1.00 0.00 N ATOM 578 CA GLN A 62 7.068 -6.810 5.395 1.00 0.00 C ATOM 579 C GLN A 62 7.884 -7.932 4.732 1.00 0.00 C ATOM 580 O GLN A 62 8.321 -8.857 5.391 1.00 0.00 O ATOM 581 CB GLN A 62 7.309 -6.767 6.907 1.00 0.00 C ATOM 582 CG GLN A 62 8.680 -6.144 7.193 1.00 0.00 C ATOM 583 CD GLN A 62 8.629 -5.374 8.516 1.00 0.00 C ATOM 584 OE1 GLN A 62 8.355 -5.943 9.554 1.00 0.00 O ATOM 585 NE2 GLN A 62 8.885 -4.094 8.525 1.00 0.00 N ATOM 0 H GLN A 62 5.287 -7.941 5.707 1.00 0.00 H new ATOM 0 HA GLN A 62 7.370 -5.877 4.919 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.526 -6.186 7.394 1.00 0.00 H new ATOM 0 HB3 GLN A 62 7.263 -7.774 7.321 1.00 0.00 H new ATOM 0 HG2 GLN A 62 9.441 -6.923 7.243 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.963 -5.474 6.381 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.115 -3.614 7.655 1.00 0.00 H new ATOM 0 HE22 GLN A 62 8.855 -3.574 9.402 1.00 0.00 H new ATOM 594 N PRO A 63 8.051 -7.809 3.436 1.00 0.00 N ATOM 595 CA PRO A 63 8.811 -8.822 2.656 1.00 0.00 C ATOM 596 C PRO A 63 10.324 -8.706 2.915 1.00 0.00 C ATOM 597 O PRO A 63 10.771 -7.798 3.592 1.00 0.00 O ATOM 598 CB PRO A 63 8.477 -8.475 1.206 1.00 0.00 C ATOM 599 CG PRO A 63 8.111 -7.026 1.224 1.00 0.00 C ATOM 600 CD PRO A 63 7.549 -6.723 2.585 1.00 0.00 C ATOM 0 HA PRO A 63 8.547 -9.845 2.923 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.329 -8.658 0.551 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.653 -9.085 0.835 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.985 -6.407 1.023 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.378 -6.805 0.448 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.882 -5.750 2.945 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.459 -6.701 2.569 1.00 0.00 H new ATOM 608 N PRO A 64 11.065 -9.641 2.360 1.00 0.00 N ATOM 609 CA PRO A 64 12.546 -9.655 2.528 1.00 0.00 C ATOM 610 C PRO A 64 13.194 -8.484 1.779 1.00 0.00 C ATOM 611 O PRO A 64 12.654 -7.984 0.816 1.00 0.00 O ATOM 612 CB PRO A 64 12.961 -10.991 1.911 1.00 0.00 C ATOM 613 CG PRO A 64 11.868 -11.330 0.953 1.00 0.00 C ATOM 614 CD PRO A 64 10.600 -10.763 1.530 1.00 0.00 C ATOM 0 HA PRO A 64 12.856 -9.551 3.568 1.00 0.00 H new ATOM 0 HB2 PRO A 64 13.921 -10.909 1.401 1.00 0.00 H new ATOM 0 HB3 PRO A 64 13.070 -11.761 2.674 1.00 0.00 H new ATOM 0 HG2 PRO A 64 12.070 -10.906 -0.031 1.00 0.00 H new ATOM 0 HG3 PRO A 64 11.786 -12.409 0.824 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.919 -10.427 0.748 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.064 -11.504 2.123 1.00 0.00 H new ATOM 622 N LYS A 65 14.354 -8.052 2.220 1.00 0.00 N ATOM 623 CA LYS A 65 15.065 -6.912 1.546 1.00 0.00 C ATOM 624 C LYS A 65 14.117 -5.720 1.355 1.00 0.00 C ATOM 625 O LYS A 65 13.860 -5.281 0.247 1.00 0.00 O ATOM 626 CB LYS A 65 15.536 -7.458 0.188 1.00 0.00 C ATOM 627 CG LYS A 65 16.264 -8.797 0.373 1.00 0.00 C ATOM 628 CD LYS A 65 17.409 -8.637 1.378 1.00 0.00 C ATOM 629 CE LYS A 65 18.558 -9.578 1.003 1.00 0.00 C ATOM 630 NZ LYS A 65 18.932 -10.267 2.273 1.00 0.00 N ATOM 0 H LYS A 65 14.844 -8.443 3.025 1.00 0.00 H new ATOM 0 HA LYS A 65 15.903 -6.552 2.143 1.00 0.00 H new ATOM 0 HB2 LYS A 65 14.681 -7.590 -0.474 1.00 0.00 H new ATOM 0 HB3 LYS A 65 16.201 -6.738 -0.290 1.00 0.00 H new ATOM 0 HG2 LYS A 65 15.564 -9.555 0.724 1.00 0.00 H new ATOM 0 HG3 LYS A 65 16.655 -9.143 -0.584 1.00 0.00 H new ATOM 0 HD2 LYS A 65 17.759 -7.605 1.385 1.00 0.00 H new ATOM 0 HD3 LYS A 65 17.056 -8.861 2.385 1.00 0.00 H new ATOM 0 HE2 LYS A 65 18.247 -10.295 0.243 1.00 0.00 H new ATOM 0 HE3 LYS A 65 19.402 -9.024 0.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 19.714 -10.928 2.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 19.231 -9.561 2.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 18.112 -10.793 2.637 1.00 0.00 H new ATOM 644 N ALA A 66 13.597 -5.199 2.433 1.00 0.00 N ATOM 645 CA ALA A 66 12.661 -4.038 2.339 1.00 0.00 C ATOM 646 C ALA A 66 13.336 -2.755 2.836 1.00 0.00 C ATOM 647 O ALA A 66 13.025 -1.672 2.381 1.00 0.00 O ATOM 648 CB ALA A 66 11.479 -4.405 3.239 1.00 0.00 C ATOM 0 H ALA A 66 13.780 -5.528 3.381 1.00 0.00 H new ATOM 0 HA ALA A 66 12.351 -3.849 1.311 1.00 0.00 H new ATOM 0 HB1 ALA A 66 10.745 -3.599 3.223 1.00 0.00 H new ATOM 0 HB2 ALA A 66 11.017 -5.323 2.876 1.00 0.00 H new ATOM 0 HB3 ALA A 66 11.831 -4.555 4.260 1.00 0.00 H new ATOM 654 N ASP A 67 14.253 -2.865 3.765 1.00 0.00 N ATOM 655 CA ASP A 67 14.940 -1.648 4.285 1.00 0.00 C ATOM 656 C ASP A 67 16.460 -1.863 4.321 1.00 0.00 C ATOM 657 O ASP A 67 17.146 -1.375 5.199 1.00 0.00 O ATOM 658 CB ASP A 67 14.373 -1.452 5.693 1.00 0.00 C ATOM 659 CG ASP A 67 12.924 -0.965 5.594 1.00 0.00 C ATOM 660 OD1 ASP A 67 12.729 0.231 5.445 1.00 0.00 O ATOM 661 OD2 ASP A 67 12.034 -1.798 5.656 1.00 0.00 O ATOM 0 H ASP A 67 14.554 -3.745 4.184 1.00 0.00 H new ATOM 0 HA ASP A 67 14.772 -0.773 3.657 1.00 0.00 H new ATOM 0 HB2 ASP A 67 14.416 -2.389 6.248 1.00 0.00 H new ATOM 0 HB3 ASP A 67 14.975 -0.728 6.242 1.00 0.00 H new ATOM 666 N GLU A 68 16.986 -2.583 3.362 1.00 0.00 N ATOM 667 CA GLU A 68 18.460 -2.831 3.318 1.00 0.00 C ATOM 668 C GLU A 68 18.929 -3.033 1.866 1.00 0.00 C ATOM 669 O GLU A 68 19.915 -3.700 1.612 1.00 0.00 O ATOM 670 CB GLU A 68 18.671 -4.108 4.139 1.00 0.00 C ATOM 671 CG GLU A 68 19.950 -3.980 4.974 1.00 0.00 C ATOM 672 CD GLU A 68 19.633 -4.249 6.448 1.00 0.00 C ATOM 673 OE1 GLU A 68 19.402 -5.399 6.785 1.00 0.00 O ATOM 674 OE2 GLU A 68 19.627 -3.300 7.214 1.00 0.00 O ATOM 0 H GLU A 68 16.455 -3.012 2.604 1.00 0.00 H new ATOM 0 HA GLU A 68 19.031 -1.992 3.716 1.00 0.00 H new ATOM 0 HB2 GLU A 68 17.815 -4.278 4.792 1.00 0.00 H new ATOM 0 HB3 GLU A 68 18.743 -4.970 3.476 1.00 0.00 H new ATOM 0 HG2 GLU A 68 20.700 -4.686 4.619 1.00 0.00 H new ATOM 0 HG3 GLU A 68 20.372 -2.982 4.859 1.00 0.00 H new ATOM 681 N ASP A 69 18.233 -2.453 0.916 1.00 0.00 N ATOM 682 CA ASP A 69 18.628 -2.598 -0.517 1.00 0.00 C ATOM 683 C ASP A 69 18.166 -1.365 -1.308 1.00 0.00 C ATOM 684 O ASP A 69 17.017 -1.277 -1.702 1.00 0.00 O ATOM 685 CB ASP A 69 17.911 -3.860 -1.008 1.00 0.00 C ATOM 686 CG ASP A 69 18.797 -5.085 -0.766 1.00 0.00 C ATOM 687 OD1 ASP A 69 19.798 -5.215 -1.452 1.00 0.00 O ATOM 688 OD2 ASP A 69 18.460 -5.872 0.102 1.00 0.00 O ATOM 0 H ASP A 69 17.403 -1.882 1.076 1.00 0.00 H new ATOM 0 HA ASP A 69 19.707 -2.678 -0.647 1.00 0.00 H new ATOM 0 HB2 ASP A 69 16.962 -3.977 -0.485 1.00 0.00 H new ATOM 0 HB3 ASP A 69 17.681 -3.769 -2.070 1.00 0.00 H new ATOM 693 N PRO A 70 19.080 -0.443 -1.496 1.00 0.00 N ATOM 694 CA PRO A 70 18.768 0.811 -2.228 1.00 0.00 C ATOM 695 C PRO A 70 18.654 0.572 -3.746 1.00 0.00 C ATOM 696 O PRO A 70 17.565 0.461 -4.273 1.00 0.00 O ATOM 697 CB PRO A 70 19.946 1.725 -1.888 1.00 0.00 C ATOM 698 CG PRO A 70 21.077 0.805 -1.543 1.00 0.00 C ATOM 699 CD PRO A 70 20.476 -0.484 -1.041 1.00 0.00 C ATOM 0 HA PRO A 70 17.807 1.237 -1.942 1.00 0.00 H new ATOM 0 HB2 PRO A 70 20.203 2.365 -2.732 1.00 0.00 H new ATOM 0 HB3 PRO A 70 19.705 2.382 -1.052 1.00 0.00 H new ATOM 0 HG2 PRO A 70 21.702 0.622 -2.417 1.00 0.00 H new ATOM 0 HG3 PRO A 70 21.716 1.252 -0.782 1.00 0.00 H new ATOM 0 HD2 PRO A 70 21.000 -1.350 -1.446 1.00 0.00 H new ATOM 0 HD3 PRO A 70 20.537 -0.554 0.045 1.00 0.00 H new ATOM 707 N GLY A 71 19.761 0.507 -4.452 1.00 0.00 N ATOM 708 CA GLY A 71 19.709 0.293 -5.933 1.00 0.00 C ATOM 709 C GLY A 71 19.103 -1.076 -6.265 1.00 0.00 C ATOM 710 O GLY A 71 18.517 -1.259 -7.315 1.00 0.00 O ATOM 0 H GLY A 71 20.700 0.593 -4.063 1.00 0.00 H new ATOM 0 HA2 GLY A 71 19.116 1.081 -6.398 1.00 0.00 H new ATOM 0 HA3 GLY A 71 20.714 0.362 -6.350 1.00 0.00 H new ATOM 714 N THR A 72 19.245 -2.036 -5.386 1.00 0.00 N ATOM 715 CA THR A 72 18.683 -3.398 -5.650 1.00 0.00 C ATOM 716 C THR A 72 17.148 -3.344 -5.718 1.00 0.00 C ATOM 717 O THR A 72 16.539 -2.416 -5.219 1.00 0.00 O ATOM 718 CB THR A 72 19.139 -4.269 -4.464 1.00 0.00 C ATOM 719 OG1 THR A 72 19.768 -3.459 -3.474 1.00 0.00 O ATOM 720 CG2 THR A 72 20.129 -5.327 -4.952 1.00 0.00 C ATOM 0 H THR A 72 19.728 -1.936 -4.493 1.00 0.00 H new ATOM 0 HA THR A 72 19.028 -3.799 -6.603 1.00 0.00 H new ATOM 0 HB THR A 72 18.266 -4.755 -4.029 1.00 0.00 H new ATOM 0 HG1 THR A 72 19.987 -4.008 -2.692 1.00 0.00 H new ATOM 0 HG21 THR A 72 20.449 -5.941 -4.110 1.00 0.00 H new ATOM 0 HG22 THR A 72 19.648 -5.958 -5.699 1.00 0.00 H new ATOM 0 HG23 THR A 72 20.996 -4.837 -5.395 1.00 0.00 H new ATOM 728 N PRO A 73 16.567 -4.347 -6.337 1.00 0.00 N ATOM 729 CA PRO A 73 15.086 -4.409 -6.468 1.00 0.00 C ATOM 730 C PRO A 73 14.443 -4.659 -5.099 1.00 0.00 C ATOM 731 O PRO A 73 14.975 -5.385 -4.278 1.00 0.00 O ATOM 732 CB PRO A 73 14.857 -5.585 -7.415 1.00 0.00 C ATOM 733 CG PRO A 73 16.076 -6.437 -7.270 1.00 0.00 C ATOM 734 CD PRO A 73 17.219 -5.507 -6.961 1.00 0.00 C ATOM 0 HA PRO A 73 14.645 -3.485 -6.842 1.00 0.00 H new ATOM 0 HB2 PRO A 73 13.955 -6.137 -7.149 1.00 0.00 H new ATOM 0 HB3 PRO A 73 14.732 -5.246 -8.443 1.00 0.00 H new ATOM 0 HG2 PRO A 73 15.945 -7.168 -6.472 1.00 0.00 H new ATOM 0 HG3 PRO A 73 16.269 -6.996 -8.186 1.00 0.00 H new ATOM 0 HD2 PRO A 73 17.941 -5.970 -6.288 1.00 0.00 H new ATOM 0 HD3 PRO A 73 17.760 -5.224 -7.864 1.00 0.00 H new ATOM 742 N LYS A 74 13.315 -4.049 -4.841 1.00 0.00 N ATOM 743 CA LYS A 74 12.647 -4.227 -3.522 1.00 0.00 C ATOM 744 C LYS A 74 11.291 -4.919 -3.688 1.00 0.00 C ATOM 745 O LYS A 74 10.401 -4.391 -4.330 1.00 0.00 O ATOM 746 CB LYS A 74 12.457 -2.807 -2.987 1.00 0.00 C ATOM 747 CG LYS A 74 12.216 -2.856 -1.477 1.00 0.00 C ATOM 748 CD LYS A 74 13.449 -2.317 -0.747 1.00 0.00 C ATOM 749 CE LYS A 74 13.405 -0.784 -0.711 1.00 0.00 C ATOM 750 NZ LYS A 74 12.302 -0.431 0.233 1.00 0.00 N ATOM 0 H LYS A 74 12.828 -3.433 -5.492 1.00 0.00 H new ATOM 0 HA LYS A 74 13.234 -4.851 -2.848 1.00 0.00 H new ATOM 0 HB2 LYS A 74 13.338 -2.204 -3.205 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.613 -2.330 -3.485 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.339 -2.263 -1.218 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.013 -3.880 -1.163 1.00 0.00 H new ATOM 0 HD2 LYS A 74 13.483 -2.713 0.268 1.00 0.00 H new ATOM 0 HD3 LYS A 74 14.356 -2.652 -1.250 1.00 0.00 H new ATOM 0 HE2 LYS A 74 14.356 -0.373 -0.372 1.00 0.00 H new ATOM 0 HE3 LYS A 74 13.216 -0.375 -1.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 12.456 0.528 0.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 11.391 -0.466 -0.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 12.289 -1.109 1.021 1.00 0.00 H new ATOM 764 N PRO A 75 11.171 -6.075 -3.082 1.00 0.00 N ATOM 765 CA PRO A 75 9.902 -6.834 -3.140 1.00 0.00 C ATOM 766 C PRO A 75 8.856 -6.139 -2.262 1.00 0.00 C ATOM 767 O PRO A 75 9.100 -5.839 -1.109 1.00 0.00 O ATOM 768 CB PRO A 75 10.276 -8.209 -2.591 1.00 0.00 C ATOM 769 CG PRO A 75 11.470 -7.968 -1.730 1.00 0.00 C ATOM 770 CD PRO A 75 12.193 -6.777 -2.298 1.00 0.00 C ATOM 0 HA PRO A 75 9.471 -6.902 -4.139 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.456 -8.641 -2.017 1.00 0.00 H new ATOM 0 HB3 PRO A 75 10.504 -8.907 -3.396 1.00 0.00 H new ATOM 0 HG2 PRO A 75 11.170 -7.780 -0.699 1.00 0.00 H new ATOM 0 HG3 PRO A 75 12.119 -8.843 -1.719 1.00 0.00 H new ATOM 0 HD2 PRO A 75 12.595 -6.142 -1.509 1.00 0.00 H new ATOM 0 HD3 PRO A 75 13.034 -7.082 -2.922 1.00 0.00 H new ATOM 778 N VAL A 76 7.708 -5.860 -2.814 1.00 0.00 N ATOM 779 CA VAL A 76 6.640 -5.160 -2.036 1.00 0.00 C ATOM 780 C VAL A 76 5.362 -6.006 -2.011 1.00 0.00 C ATOM 781 O VAL A 76 5.035 -6.683 -2.969 1.00 0.00 O ATOM 782 CB VAL A 76 6.389 -3.839 -2.778 1.00 0.00 C ATOM 783 CG1 VAL A 76 5.748 -2.830 -1.825 1.00 0.00 C ATOM 784 CG2 VAL A 76 7.711 -3.262 -3.300 1.00 0.00 C ATOM 0 H VAL A 76 7.459 -6.087 -3.777 1.00 0.00 H new ATOM 0 HA VAL A 76 6.937 -4.992 -1.001 1.00 0.00 H new ATOM 0 HB VAL A 76 5.724 -4.032 -3.619 1.00 0.00 H new ATOM 0 HG11 VAL A 76 5.570 -1.893 -2.353 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.800 -3.226 -1.460 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.416 -2.651 -0.982 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.518 -2.326 -3.824 1.00 0.00 H new ATOM 0 HG22 VAL A 76 8.383 -3.077 -2.462 1.00 0.00 H new ATOM 0 HG23 VAL A 76 8.173 -3.973 -3.986 1.00 0.00 H new ATOM 794 N SER A 77 4.635 -5.964 -0.924 1.00 0.00 N ATOM 795 CA SER A 77 3.373 -6.759 -0.826 1.00 0.00 C ATOM 796 C SER A 77 2.376 -6.051 0.102 1.00 0.00 C ATOM 797 O SER A 77 2.741 -5.561 1.154 1.00 0.00 O ATOM 798 CB SER A 77 3.797 -8.107 -0.236 1.00 0.00 C ATOM 799 OG SER A 77 4.655 -8.778 -1.154 1.00 0.00 O ATOM 0 H SER A 77 4.862 -5.412 -0.097 1.00 0.00 H new ATOM 0 HA SER A 77 2.880 -6.877 -1.791 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.310 -7.955 0.714 1.00 0.00 H new ATOM 0 HB3 SER A 77 2.918 -8.718 -0.029 1.00 0.00 H new ATOM 0 HG SER A 77 4.928 -9.640 -0.776 1.00 0.00 H new ATOM 805 N PHE A 78 1.121 -5.989 -0.278 1.00 0.00 N ATOM 806 CA PHE A 78 0.108 -5.305 0.591 1.00 0.00 C ATOM 807 C PHE A 78 -1.313 -5.675 0.171 1.00 0.00 C ATOM 808 O PHE A 78 -1.552 -6.142 -0.928 1.00 0.00 O ATOM 809 CB PHE A 78 0.324 -3.794 0.404 1.00 0.00 C ATOM 810 CG PHE A 78 0.475 -3.448 -1.063 1.00 0.00 C ATOM 811 CD1 PHE A 78 -0.661 -3.207 -1.846 1.00 0.00 C ATOM 812 CD2 PHE A 78 1.749 -3.360 -1.633 1.00 0.00 C ATOM 813 CE1 PHE A 78 -0.521 -2.879 -3.199 1.00 0.00 C ATOM 814 CE2 PHE A 78 1.889 -3.034 -2.989 1.00 0.00 C ATOM 815 CZ PHE A 78 0.753 -2.793 -3.771 1.00 0.00 C ATOM 0 H PHE A 78 0.756 -6.380 -1.146 1.00 0.00 H new ATOM 0 HA PHE A 78 0.230 -5.608 1.631 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.519 -3.247 0.826 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.214 -3.479 0.950 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.645 -3.274 -1.406 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.625 -3.543 -1.028 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.397 -2.692 -3.802 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.873 -2.969 -3.430 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.860 -2.541 -4.816 1.00 0.00 H new ATOM 825 N THR A 79 -2.258 -5.444 1.040 1.00 0.00 N ATOM 826 CA THR A 79 -3.676 -5.749 0.710 1.00 0.00 C ATOM 827 C THR A 79 -4.466 -4.445 0.635 1.00 0.00 C ATOM 828 O THR A 79 -4.325 -3.574 1.472 1.00 0.00 O ATOM 829 CB THR A 79 -4.197 -6.637 1.846 1.00 0.00 C ATOM 830 OG1 THR A 79 -3.813 -6.089 3.101 1.00 0.00 O ATOM 831 CG2 THR A 79 -3.620 -8.046 1.703 1.00 0.00 C ATOM 0 H THR A 79 -2.106 -5.054 1.970 1.00 0.00 H new ATOM 0 HA THR A 79 -3.777 -6.254 -0.251 1.00 0.00 H new ATOM 0 HB THR A 79 -5.285 -6.685 1.793 1.00 0.00 H new ATOM 0 HG1 THR A 79 -3.857 -6.785 3.789 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.992 -8.675 2.512 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.924 -8.468 0.745 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.532 -8.000 1.750 1.00 0.00 H new ATOM 839 N VAL A 80 -5.289 -4.306 -0.366 1.00 0.00 N ATOM 840 CA VAL A 80 -6.094 -3.057 -0.511 1.00 0.00 C ATOM 841 C VAL A 80 -7.580 -3.369 -0.296 1.00 0.00 C ATOM 842 O VAL A 80 -8.034 -4.469 -0.546 1.00 0.00 O ATOM 843 CB VAL A 80 -5.816 -2.543 -1.933 1.00 0.00 C ATOM 844 CG1 VAL A 80 -4.343 -2.132 -2.046 1.00 0.00 C ATOM 845 CG2 VAL A 80 -6.115 -3.637 -2.964 1.00 0.00 C ATOM 0 H VAL A 80 -5.441 -5.005 -1.093 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.827 -2.300 0.227 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.459 -1.685 -2.129 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.143 -1.767 -3.054 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.129 -1.343 -1.325 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.708 -2.994 -1.840 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.913 -3.258 -3.966 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.482 -4.503 -2.770 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.162 -3.929 -2.891 1.00 0.00 H new ATOM 855 N LYS A 81 -8.330 -2.413 0.192 1.00 0.00 N ATOM 856 CA LYS A 81 -9.784 -2.648 0.461 1.00 0.00 C ATOM 857 C LYS A 81 -10.650 -1.677 -0.355 1.00 0.00 C ATOM 858 O LYS A 81 -10.207 -0.616 -0.753 1.00 0.00 O ATOM 859 CB LYS A 81 -9.937 -2.402 1.972 1.00 0.00 C ATOM 860 CG LYS A 81 -11.402 -2.125 2.329 1.00 0.00 C ATOM 861 CD LYS A 81 -11.713 -2.714 3.707 1.00 0.00 C ATOM 862 CE LYS A 81 -12.537 -3.993 3.538 1.00 0.00 C ATOM 863 NZ LYS A 81 -12.118 -4.883 4.659 1.00 0.00 N ATOM 0 H LYS A 81 -7.997 -1.475 0.417 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.108 -3.649 0.175 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.581 -3.271 2.525 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.318 -1.557 2.273 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.590 -1.051 2.330 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.059 -2.563 1.578 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.787 -2.932 4.239 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -12.263 -1.990 4.308 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.605 -3.781 3.582 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.344 -4.460 2.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -12.643 -5.779 4.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -11.098 -5.075 4.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -12.320 -4.417 5.566 1.00 0.00 H new ATOM 877 N GLU A 82 -11.881 -2.045 -0.608 1.00 0.00 N ATOM 878 CA GLU A 82 -12.796 -1.162 -1.404 1.00 0.00 C ATOM 879 C GLU A 82 -13.122 0.138 -0.646 1.00 0.00 C ATOM 880 O GLU A 82 -13.451 0.119 0.526 1.00 0.00 O ATOM 881 CB GLU A 82 -14.074 -1.984 -1.591 1.00 0.00 C ATOM 882 CG GLU A 82 -14.607 -1.804 -3.013 1.00 0.00 C ATOM 883 CD GLU A 82 -15.087 -3.150 -3.562 1.00 0.00 C ATOM 884 OE1 GLU A 82 -15.852 -3.817 -2.879 1.00 0.00 O ATOM 885 OE2 GLU A 82 -14.682 -3.493 -4.658 1.00 0.00 O ATOM 0 H GLU A 82 -12.296 -2.923 -0.297 1.00 0.00 H new ATOM 0 HA GLU A 82 -12.338 -0.867 -2.348 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -13.870 -3.038 -1.401 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -14.827 -1.670 -0.869 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -15.428 -1.087 -3.015 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -13.826 -1.397 -3.655 1.00 0.00 H new ATOM 892 N THR A 83 -13.051 1.260 -1.323 1.00 0.00 N ATOM 893 CA THR A 83 -13.378 2.572 -0.669 1.00 0.00 C ATOM 894 C THR A 83 -14.756 3.059 -1.145 1.00 0.00 C ATOM 895 O THR A 83 -15.340 2.498 -2.054 1.00 0.00 O ATOM 896 CB THR A 83 -12.285 3.548 -1.126 1.00 0.00 C ATOM 897 OG1 THR A 83 -12.155 3.494 -2.542 1.00 0.00 O ATOM 898 CG2 THR A 83 -10.952 3.176 -0.474 1.00 0.00 C ATOM 0 H THR A 83 -12.780 1.326 -2.304 1.00 0.00 H new ATOM 0 HA THR A 83 -13.413 2.490 0.417 1.00 0.00 H new ATOM 0 HB THR A 83 -12.561 4.559 -0.827 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.715 4.309 -2.861 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.180 3.872 -0.802 1.00 0.00 H new ATOM 0 HG22 THR A 83 -11.050 3.228 0.610 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.675 2.163 -0.765 1.00 0.00 H new ATOM 906 N VAL A 84 -15.279 4.099 -0.541 1.00 0.00 N ATOM 907 CA VAL A 84 -16.624 4.618 -0.964 1.00 0.00 C ATOM 908 C VAL A 84 -16.561 5.225 -2.376 1.00 0.00 C ATOM 909 O VAL A 84 -17.559 5.290 -3.068 1.00 0.00 O ATOM 910 CB VAL A 84 -17.014 5.695 0.063 1.00 0.00 C ATOM 911 CG1 VAL A 84 -17.077 5.083 1.465 1.00 0.00 C ATOM 912 CG2 VAL A 84 -15.989 6.835 0.046 1.00 0.00 C ATOM 0 H VAL A 84 -14.838 4.611 0.223 1.00 0.00 H new ATOM 0 HA VAL A 84 -17.358 3.813 -0.998 1.00 0.00 H new ATOM 0 HB VAL A 84 -17.994 6.091 -0.201 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -17.354 5.852 2.186 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -17.821 4.286 1.481 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -16.101 4.674 1.728 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -16.275 7.592 0.777 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -15.004 6.442 0.297 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -15.959 7.283 -0.947 1.00 0.00 H new ATOM 922 N CYS A 85 -15.405 5.675 -2.805 1.00 0.00 N ATOM 923 CA CYS A 85 -15.293 6.283 -4.167 1.00 0.00 C ATOM 924 C CYS A 85 -14.931 5.221 -5.212 1.00 0.00 C ATOM 925 O CYS A 85 -13.944 4.525 -5.064 1.00 0.00 O ATOM 926 CB CYS A 85 -14.169 7.313 -4.058 1.00 0.00 C ATOM 927 SG CYS A 85 -14.726 8.716 -3.064 1.00 0.00 S ATOM 0 H CYS A 85 -14.537 5.647 -2.271 1.00 0.00 H new ATOM 0 HA CYS A 85 -16.236 6.730 -4.483 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -13.289 6.859 -3.603 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -13.875 7.652 -5.051 1.00 0.00 H new ATOM 932 N PRO A 86 -15.736 5.144 -6.245 1.00 0.00 N ATOM 933 CA PRO A 86 -15.484 4.170 -7.334 1.00 0.00 C ATOM 934 C PRO A 86 -14.376 4.687 -8.263 1.00 0.00 C ATOM 935 O PRO A 86 -14.019 5.851 -8.234 1.00 0.00 O ATOM 936 CB PRO A 86 -16.820 4.097 -8.068 1.00 0.00 C ATOM 937 CG PRO A 86 -17.500 5.402 -7.788 1.00 0.00 C ATOM 938 CD PRO A 86 -16.946 5.941 -6.491 1.00 0.00 C ATOM 0 HA PRO A 86 -15.151 3.197 -6.973 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -16.673 3.953 -9.138 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -17.418 3.258 -7.712 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -17.324 6.107 -8.601 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -18.579 5.263 -7.714 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -16.712 7.003 -6.571 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -17.664 5.833 -5.678 1.00 0.00 H new ATOM 946 N ARG A 87 -13.835 3.831 -9.089 1.00 0.00 N ATOM 947 CA ARG A 87 -12.756 4.268 -10.026 1.00 0.00 C ATOM 948 C ARG A 87 -13.370 4.671 -11.376 1.00 0.00 C ATOM 949 O ARG A 87 -14.333 4.065 -11.809 1.00 0.00 O ATOM 950 CB ARG A 87 -11.853 3.040 -10.202 1.00 0.00 C ATOM 951 CG ARG A 87 -10.450 3.335 -9.661 1.00 0.00 C ATOM 952 CD ARG A 87 -9.517 3.754 -10.807 1.00 0.00 C ATOM 953 NE ARG A 87 -9.484 2.596 -11.751 1.00 0.00 N ATOM 954 CZ ARG A 87 -8.571 2.534 -12.684 1.00 0.00 C ATOM 955 NH1 ARG A 87 -8.172 3.624 -13.293 1.00 0.00 N ATOM 956 NH2 ARG A 87 -8.061 1.377 -13.007 1.00 0.00 N ATOM 0 H ARG A 87 -14.093 2.847 -9.156 1.00 0.00 H new ATOM 0 HA ARG A 87 -12.204 5.128 -9.647 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -12.281 2.186 -9.677 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -11.795 2.770 -11.256 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -10.499 4.128 -8.914 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -10.051 2.452 -9.162 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -9.886 4.652 -11.303 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.519 3.983 -10.434 1.00 0.00 H new ATOM 0 HE ARG A 87 -10.176 1.852 -11.667 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.574 4.526 -13.039 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -7.459 3.570 -14.020 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.375 0.531 -12.532 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.348 1.319 -13.734 1.00 0.00 H new ATOM 970 N PRO A 88 -12.795 5.669 -12.020 1.00 0.00 N ATOM 971 CA PRO A 88 -11.622 6.406 -11.490 1.00 0.00 C ATOM 972 C PRO A 88 -12.063 7.666 -10.723 1.00 0.00 C ATOM 973 O PRO A 88 -13.004 8.335 -11.109 1.00 0.00 O ATOM 974 CB PRO A 88 -10.877 6.798 -12.763 1.00 0.00 C ATOM 975 CG PRO A 88 -11.915 6.836 -13.853 1.00 0.00 C ATOM 976 CD PRO A 88 -13.180 6.191 -13.330 1.00 0.00 C ATOM 0 HA PRO A 88 -11.026 5.821 -10.789 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -10.394 7.768 -12.650 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -10.093 6.077 -12.995 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -12.111 7.865 -14.155 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -11.557 6.307 -14.736 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -13.992 6.913 -13.249 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -13.525 5.396 -13.991 1.00 0.00 H new ATOM 984 N THR A 89 -11.379 8.006 -9.655 1.00 0.00 N ATOM 985 CA THR A 89 -11.746 9.234 -8.880 1.00 0.00 C ATOM 986 C THR A 89 -10.758 10.366 -9.204 1.00 0.00 C ATOM 987 O THR A 89 -9.638 10.121 -9.617 1.00 0.00 O ATOM 988 CB THR A 89 -11.645 8.829 -7.399 1.00 0.00 C ATOM 989 OG1 THR A 89 -12.762 8.024 -7.052 1.00 0.00 O ATOM 990 CG2 THR A 89 -11.629 10.074 -6.505 1.00 0.00 C ATOM 0 H THR A 89 -10.583 7.486 -9.287 1.00 0.00 H new ATOM 0 HA THR A 89 -12.744 9.597 -9.125 1.00 0.00 H new ATOM 0 HB THR A 89 -10.721 8.271 -7.251 1.00 0.00 H new ATOM 0 HG1 THR A 89 -12.908 7.350 -7.748 1.00 0.00 H new ATOM 0 HG21 THR A 89 -11.557 9.771 -5.460 1.00 0.00 H new ATOM 0 HG22 THR A 89 -10.771 10.696 -6.762 1.00 0.00 H new ATOM 0 HG23 THR A 89 -12.547 10.642 -6.656 1.00 0.00 H new ATOM 998 N ARG A 90 -11.161 11.601 -9.011 1.00 0.00 N ATOM 999 CA ARG A 90 -10.245 12.751 -9.299 1.00 0.00 C ATOM 1000 C ARG A 90 -8.980 12.643 -8.435 1.00 0.00 C ATOM 1001 O ARG A 90 -7.873 12.675 -8.937 1.00 0.00 O ATOM 1002 CB ARG A 90 -11.049 14.002 -8.932 1.00 0.00 C ATOM 1003 CG ARG A 90 -10.325 15.253 -9.443 1.00 0.00 C ATOM 1004 CD ARG A 90 -10.203 16.277 -8.309 1.00 0.00 C ATOM 1005 NE ARG A 90 -11.596 16.749 -8.052 1.00 0.00 N ATOM 1006 CZ ARG A 90 -11.844 17.538 -7.040 1.00 0.00 C ATOM 1007 NH1 ARG A 90 -11.637 17.120 -5.818 1.00 0.00 N ATOM 1008 NH2 ARG A 90 -12.300 18.746 -7.251 1.00 0.00 N ATOM 0 H ARG A 90 -12.085 11.862 -8.666 1.00 0.00 H new ATOM 0 HA ARG A 90 -9.918 12.773 -10.339 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -12.047 13.945 -9.367 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -11.176 14.060 -7.851 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -9.335 14.986 -9.814 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.873 15.686 -10.280 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.770 15.826 -7.416 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -9.554 17.105 -8.595 1.00 0.00 H new ATOM 0 HE ARG A 90 -12.355 16.455 -8.667 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -11.282 16.178 -5.655 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.831 17.736 -5.029 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -12.462 19.071 -8.204 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -12.494 19.363 -6.462 1.00 0.00 H new ATOM 1022 N GLN A 91 -9.142 12.503 -7.143 1.00 0.00 N ATOM 1023 CA GLN A 91 -7.960 12.376 -6.240 1.00 0.00 C ATOM 1024 C GLN A 91 -7.678 10.887 -5.957 1.00 0.00 C ATOM 1025 O GLN A 91 -8.360 10.024 -6.481 1.00 0.00 O ATOM 1026 CB GLN A 91 -8.360 13.121 -4.958 1.00 0.00 C ATOM 1027 CG GLN A 91 -7.482 14.367 -4.792 1.00 0.00 C ATOM 1028 CD GLN A 91 -8.268 15.615 -5.205 1.00 0.00 C ATOM 1029 OE1 GLN A 91 -9.360 15.848 -4.724 1.00 0.00 O ATOM 1030 NE2 GLN A 91 -7.757 16.436 -6.081 1.00 0.00 N ATOM 0 H GLN A 91 -10.047 12.471 -6.674 1.00 0.00 H new ATOM 0 HA GLN A 91 -7.050 12.790 -6.673 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -9.411 13.408 -5.005 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -8.246 12.466 -4.094 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -7.156 14.458 -3.756 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -6.583 14.274 -5.402 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -6.841 16.244 -6.487 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -8.273 17.270 -6.360 1.00 0.00 H new ATOM 1039 N PRO A 92 -6.679 10.629 -5.141 1.00 0.00 N ATOM 1040 CA PRO A 92 -6.315 9.224 -4.797 1.00 0.00 C ATOM 1041 C PRO A 92 -7.403 8.566 -3.928 1.00 0.00 C ATOM 1042 O PRO A 92 -8.288 9.237 -3.425 1.00 0.00 O ATOM 1043 CB PRO A 92 -5.007 9.376 -4.019 1.00 0.00 C ATOM 1044 CG PRO A 92 -5.045 10.763 -3.470 1.00 0.00 C ATOM 1045 CD PRO A 92 -5.801 11.599 -4.467 1.00 0.00 C ATOM 0 HA PRO A 92 -6.216 8.585 -5.674 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -4.934 8.637 -3.221 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.143 9.231 -4.667 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.536 10.781 -2.497 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -4.036 11.150 -3.325 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -6.375 12.385 -3.977 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -5.128 12.088 -5.172 1.00 0.00 H new ATOM 1053 N PRO A 93 -7.293 7.264 -3.775 1.00 0.00 N ATOM 1054 CA PRO A 93 -8.274 6.500 -2.951 1.00 0.00 C ATOM 1055 C PRO A 93 -8.145 6.871 -1.464 1.00 0.00 C ATOM 1056 O PRO A 93 -9.104 6.793 -0.717 1.00 0.00 O ATOM 1057 CB PRO A 93 -7.889 5.042 -3.198 1.00 0.00 C ATOM 1058 CG PRO A 93 -6.452 5.088 -3.605 1.00 0.00 C ATOM 1059 CD PRO A 93 -6.259 6.385 -4.345 1.00 0.00 C ATOM 0 HA PRO A 93 -9.311 6.709 -3.215 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -8.026 4.439 -2.300 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -8.507 4.597 -3.978 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.800 5.038 -2.733 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.201 4.238 -4.240 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.259 6.790 -4.191 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.389 6.257 -5.420 1.00 0.00 H new ATOM 1067 N GLU A 94 -6.975 7.287 -1.036 1.00 0.00 N ATOM 1068 CA GLU A 94 -6.789 7.683 0.395 1.00 0.00 C ATOM 1069 C GLU A 94 -7.645 8.918 0.709 1.00 0.00 C ATOM 1070 O GLU A 94 -8.162 9.064 1.801 1.00 0.00 O ATOM 1071 CB GLU A 94 -5.299 8.017 0.532 1.00 0.00 C ATOM 1072 CG GLU A 94 -4.496 6.724 0.697 1.00 0.00 C ATOM 1073 CD GLU A 94 -3.429 6.630 -0.398 1.00 0.00 C ATOM 1074 OE1 GLU A 94 -3.779 6.278 -1.515 1.00 0.00 O ATOM 1075 OE2 GLU A 94 -2.279 6.905 -0.098 1.00 0.00 O ATOM 0 H GLU A 94 -6.141 7.369 -1.618 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.091 6.894 1.084 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -4.955 8.561 -0.348 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -5.139 8.668 1.391 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -4.024 6.701 1.679 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -5.162 5.863 0.643 1.00 0.00 H new ATOM 1082 N LEU A 95 -7.796 9.800 -0.252 1.00 0.00 N ATOM 1083 CA LEU A 95 -8.619 11.034 -0.045 1.00 0.00 C ATOM 1084 C LEU A 95 -10.072 10.666 0.293 1.00 0.00 C ATOM 1085 O LEU A 95 -10.755 11.396 0.986 1.00 0.00 O ATOM 1086 CB LEU A 95 -8.549 11.775 -1.388 1.00 0.00 C ATOM 1087 CG LEU A 95 -9.537 12.949 -1.401 1.00 0.00 C ATOM 1088 CD1 LEU A 95 -8.789 14.251 -1.699 1.00 0.00 C ATOM 1089 CD2 LEU A 95 -10.596 12.709 -2.484 1.00 0.00 C ATOM 0 H LEU A 95 -7.380 9.716 -1.179 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.253 11.641 0.783 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.536 12.141 -1.557 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.779 11.088 -2.202 1.00 0.00 H new ATOM 0 HG LEU A 95 -10.020 13.027 -0.427 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -9.494 15.082 -1.707 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -8.036 14.422 -0.930 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -8.304 14.177 -2.672 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -11.300 13.541 -2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.110 12.631 -3.457 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -11.132 11.784 -2.270 1.00 0.00 H new ATOM 1101 N CYS A 96 -10.548 9.550 -0.202 1.00 0.00 N ATOM 1102 CA CYS A 96 -11.957 9.140 0.075 1.00 0.00 C ATOM 1103 C CYS A 96 -12.044 8.260 1.331 1.00 0.00 C ATOM 1104 O CYS A 96 -11.055 8.004 1.993 1.00 0.00 O ATOM 1105 CB CYS A 96 -12.387 8.369 -1.174 1.00 0.00 C ATOM 1106 SG CYS A 96 -13.010 9.545 -2.402 1.00 0.00 S ATOM 0 H CYS A 96 -10.019 8.904 -0.788 1.00 0.00 H new ATOM 0 HA CYS A 96 -12.603 9.996 0.272 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -11.544 7.810 -1.581 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -13.159 7.643 -0.922 1.00 0.00 H new ATOM 1111 N ASP A 97 -13.231 7.815 1.672 1.00 0.00 N ATOM 1112 CA ASP A 97 -13.408 6.971 2.897 1.00 0.00 C ATOM 1113 C ASP A 97 -13.020 5.507 2.630 1.00 0.00 C ATOM 1114 O ASP A 97 -12.420 5.182 1.622 1.00 0.00 O ATOM 1115 CB ASP A 97 -14.902 7.067 3.247 1.00 0.00 C ATOM 1116 CG ASP A 97 -15.334 8.535 3.345 1.00 0.00 C ATOM 1117 OD1 ASP A 97 -14.687 9.280 4.062 1.00 0.00 O ATOM 1118 OD2 ASP A 97 -16.309 8.885 2.701 1.00 0.00 O ATOM 0 H ASP A 97 -14.088 8.001 1.152 1.00 0.00 H new ATOM 0 HA ASP A 97 -12.769 7.318 3.709 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -15.494 6.557 2.487 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -15.094 6.561 4.193 1.00 0.00 H new ATOM 1123 N PHE A 98 -13.365 4.629 3.542 1.00 0.00 N ATOM 1124 CA PHE A 98 -13.036 3.181 3.388 1.00 0.00 C ATOM 1125 C PHE A 98 -14.276 2.329 3.696 1.00 0.00 C ATOM 1126 O PHE A 98 -15.008 2.604 4.629 1.00 0.00 O ATOM 1127 CB PHE A 98 -11.952 2.916 4.440 1.00 0.00 C ATOM 1128 CG PHE A 98 -10.727 2.277 3.815 1.00 0.00 C ATOM 1129 CD1 PHE A 98 -10.842 1.466 2.677 1.00 0.00 C ATOM 1130 CD2 PHE A 98 -9.469 2.493 4.392 1.00 0.00 C ATOM 1131 CE1 PHE A 98 -9.701 0.877 2.121 1.00 0.00 C ATOM 1132 CE2 PHE A 98 -8.330 1.901 3.835 1.00 0.00 C ATOM 1133 CZ PHE A 98 -8.446 1.094 2.700 1.00 0.00 C ATOM 0 H PHE A 98 -13.868 4.861 4.398 1.00 0.00 H new ATOM 0 HA PHE A 98 -12.708 2.934 2.378 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -11.671 3.853 4.921 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -12.348 2.264 5.219 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -11.810 1.296 2.230 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -9.378 3.118 5.268 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -9.789 0.254 1.243 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -7.361 2.068 4.282 1.00 0.00 H new ATOM 0 HZ PHE A 98 -7.567 0.638 2.270 1.00 0.00 H new ATOM 1143 N LYS A 99 -14.510 1.293 2.933 1.00 0.00 N ATOM 1144 CA LYS A 99 -15.694 0.422 3.199 1.00 0.00 C ATOM 1145 C LYS A 99 -15.236 -0.889 3.837 1.00 0.00 C ATOM 1146 O LYS A 99 -14.620 -1.715 3.191 1.00 0.00 O ATOM 1147 CB LYS A 99 -16.327 0.144 1.834 1.00 0.00 C ATOM 1148 CG LYS A 99 -16.794 1.458 1.199 1.00 0.00 C ATOM 1149 CD LYS A 99 -18.053 1.209 0.364 1.00 0.00 C ATOM 1150 CE LYS A 99 -17.677 1.117 -1.119 1.00 0.00 C ATOM 1151 NZ LYS A 99 -18.785 0.352 -1.758 1.00 0.00 N ATOM 0 H LYS A 99 -13.934 1.013 2.139 1.00 0.00 H new ATOM 0 HA LYS A 99 -16.401 0.897 3.879 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -15.606 -0.349 1.182 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -17.171 -0.536 1.947 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -17.001 2.195 1.975 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -16.005 1.870 0.570 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -18.538 0.287 0.685 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -18.769 2.016 0.518 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -17.577 2.108 -1.562 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -16.721 0.610 -1.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -18.595 0.250 -2.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -18.853 -0.590 -1.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -19.682 0.861 -1.623 1.00 0.00 H new ATOM 1165 N GLU A 100 -15.533 -1.094 5.094 1.00 0.00 N ATOM 1166 CA GLU A 100 -15.112 -2.366 5.757 1.00 0.00 C ATOM 1167 C GLU A 100 -15.800 -3.562 5.083 1.00 0.00 C ATOM 1168 O GLU A 100 -15.273 -4.659 5.061 1.00 0.00 O ATOM 1169 CB GLU A 100 -15.550 -2.234 7.219 1.00 0.00 C ATOM 1170 CG GLU A 100 -14.524 -2.919 8.126 1.00 0.00 C ATOM 1171 CD GLU A 100 -14.564 -2.280 9.517 1.00 0.00 C ATOM 1172 OE1 GLU A 100 -13.911 -1.265 9.700 1.00 0.00 O ATOM 1173 OE2 GLU A 100 -15.246 -2.816 10.374 1.00 0.00 O ATOM 0 H GLU A 100 -16.045 -0.441 5.687 1.00 0.00 H new ATOM 0 HA GLU A 100 -14.038 -2.533 5.681 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -15.643 -1.182 7.488 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -16.532 -2.686 7.357 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -14.741 -3.985 8.198 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -13.525 -2.825 7.699 1.00 0.00 H new ATOM 1180 N ASN A 101 -16.964 -3.350 4.514 1.00 0.00 N ATOM 1181 CA ASN A 101 -17.683 -4.462 3.816 1.00 0.00 C ATOM 1182 C ASN A 101 -17.128 -4.649 2.390 1.00 0.00 C ATOM 1183 O ASN A 101 -17.625 -5.458 1.630 1.00 0.00 O ATOM 1184 CB ASN A 101 -19.155 -4.029 3.766 1.00 0.00 C ATOM 1185 CG ASN A 101 -19.705 -3.894 5.189 1.00 0.00 C ATOM 1186 OD1 ASN A 101 -20.113 -4.868 5.789 1.00 0.00 O ATOM 1187 ND2 ASN A 101 -19.737 -2.719 5.757 1.00 0.00 N ATOM 0 H ASN A 101 -17.447 -2.452 4.504 1.00 0.00 H new ATOM 0 HA ASN A 101 -17.558 -5.413 4.333 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -19.246 -3.079 3.239 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -19.740 -4.760 3.208 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -20.104 -2.620 6.703 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -19.395 -1.900 5.254 1.00 0.00 H new ATOM 1194 N GLY A 102 -16.100 -3.911 2.025 1.00 0.00 N ATOM 1195 CA GLY A 102 -15.513 -4.050 0.663 1.00 0.00 C ATOM 1196 C GLY A 102 -14.569 -5.251 0.639 1.00 0.00 C ATOM 1197 O GLY A 102 -13.938 -5.570 1.630 1.00 0.00 O ATOM 0 H GLY A 102 -15.646 -3.218 2.620 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -16.305 -4.181 -0.075 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -14.972 -3.143 0.393 1.00 0.00 H new ATOM 1201 N ARG A 103 -14.452 -5.917 -0.482 1.00 0.00 N ATOM 1202 CA ARG A 103 -13.528 -7.089 -0.554 1.00 0.00 C ATOM 1203 C ARG A 103 -12.077 -6.602 -0.474 1.00 0.00 C ATOM 1204 O ARG A 103 -11.796 -5.430 -0.658 1.00 0.00 O ATOM 1205 CB ARG A 103 -13.813 -7.774 -1.898 1.00 0.00 C ATOM 1206 CG ARG A 103 -13.392 -6.867 -3.060 1.00 0.00 C ATOM 1207 CD ARG A 103 -14.263 -7.171 -4.281 1.00 0.00 C ATOM 1208 NE ARG A 103 -15.556 -6.475 -4.019 1.00 0.00 N ATOM 1209 CZ ARG A 103 -16.682 -7.133 -4.090 1.00 0.00 C ATOM 1210 NH1 ARG A 103 -17.210 -7.395 -5.256 1.00 0.00 N ATOM 1211 NH2 ARG A 103 -17.282 -7.524 -2.995 1.00 0.00 N ATOM 0 H ARG A 103 -14.952 -5.702 -1.344 1.00 0.00 H new ATOM 0 HA ARG A 103 -13.680 -7.786 0.270 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -13.274 -8.720 -1.953 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -14.875 -8.007 -1.977 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -13.497 -5.820 -2.776 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -12.341 -7.028 -3.300 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -13.798 -6.807 -5.197 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -14.411 -8.244 -4.403 1.00 0.00 H new ATOM 0 HE ARG A 103 -15.561 -5.483 -3.784 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -16.743 -7.086 -6.108 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -18.089 -7.909 -5.314 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -16.870 -7.315 -2.085 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -18.161 -8.038 -3.051 1.00 0.00 H new ATOM 1225 N VAL A 104 -11.157 -7.484 -0.185 1.00 0.00 N ATOM 1226 CA VAL A 104 -9.730 -7.059 -0.076 1.00 0.00 C ATOM 1227 C VAL A 104 -8.869 -7.773 -1.125 1.00 0.00 C ATOM 1228 O VAL A 104 -8.878 -8.982 -1.232 1.00 0.00 O ATOM 1229 CB VAL A 104 -9.295 -7.452 1.340 1.00 0.00 C ATOM 1230 CG1 VAL A 104 -7.854 -6.992 1.579 1.00 0.00 C ATOM 1231 CG2 VAL A 104 -10.215 -6.783 2.367 1.00 0.00 C ATOM 0 H VAL A 104 -11.330 -8.476 -0.020 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.613 -5.990 -0.253 1.00 0.00 H new ATOM 0 HB VAL A 104 -9.357 -8.535 1.447 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -7.545 -7.272 2.586 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -7.195 -7.467 0.852 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -7.795 -5.909 1.469 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -9.903 -7.064 3.373 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -10.155 -5.700 2.258 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.242 -7.108 2.201 1.00 0.00 H new ATOM 1241 N LYS A 105 -8.117 -7.017 -1.882 1.00 0.00 N ATOM 1242 CA LYS A 105 -7.222 -7.601 -2.933 1.00 0.00 C ATOM 1243 C LYS A 105 -5.764 -7.480 -2.468 1.00 0.00 C ATOM 1244 O LYS A 105 -5.387 -6.513 -1.836 1.00 0.00 O ATOM 1245 CB LYS A 105 -7.487 -6.729 -4.169 1.00 0.00 C ATOM 1246 CG LYS A 105 -6.394 -6.933 -5.222 1.00 0.00 C ATOM 1247 CD LYS A 105 -6.040 -5.584 -5.855 1.00 0.00 C ATOM 1248 CE LYS A 105 -6.358 -5.619 -7.355 1.00 0.00 C ATOM 1249 NZ LYS A 105 -7.403 -4.576 -7.558 1.00 0.00 N ATOM 0 H LYS A 105 -8.083 -6.000 -1.817 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.405 -8.656 -3.136 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -8.459 -6.979 -4.594 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -7.526 -5.679 -3.878 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.510 -7.375 -4.763 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.737 -7.628 -5.988 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -6.604 -4.786 -5.372 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -4.983 -5.366 -5.702 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -5.470 -5.408 -7.951 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -6.719 -6.602 -7.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -7.838 -4.698 -8.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -8.132 -4.668 -6.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -6.968 -3.633 -7.499 1.00 0.00 H new ATOM 1263 N GLN A 106 -4.944 -8.450 -2.776 1.00 0.00 N ATOM 1264 CA GLN A 106 -3.514 -8.387 -2.350 1.00 0.00 C ATOM 1265 C GLN A 106 -2.616 -8.423 -3.579 1.00 0.00 C ATOM 1266 O GLN A 106 -2.658 -9.356 -4.350 1.00 0.00 O ATOM 1267 CB GLN A 106 -3.289 -9.625 -1.478 1.00 0.00 C ATOM 1268 CG GLN A 106 -1.889 -9.570 -0.858 1.00 0.00 C ATOM 1269 CD GLN A 106 -1.056 -10.757 -1.353 1.00 0.00 C ATOM 1270 OE1 GLN A 106 -0.990 -11.017 -2.539 1.00 0.00 O ATOM 1271 NE2 GLN A 106 -0.410 -11.491 -0.490 1.00 0.00 N ATOM 0 H GLN A 106 -5.202 -9.283 -3.304 1.00 0.00 H new ATOM 0 HA GLN A 106 -3.283 -7.473 -1.803 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -4.044 -9.671 -0.693 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -3.397 -10.529 -2.077 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -1.399 -8.634 -1.125 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -1.961 -9.593 0.229 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -0.464 -11.275 0.505 1.00 0.00 H new ATOM 0 HE22 GLN A 106 0.149 -12.282 -0.810 1.00 0.00 H new ATOM 1280 N CYS A 107 -1.815 -7.407 -3.770 1.00 0.00 N ATOM 1281 CA CYS A 107 -0.917 -7.374 -4.961 1.00 0.00 C ATOM 1282 C CYS A 107 0.548 -7.315 -4.525 1.00 0.00 C ATOM 1283 O CYS A 107 0.974 -6.383 -3.867 1.00 0.00 O ATOM 1284 CB CYS A 107 -1.312 -6.110 -5.717 1.00 0.00 C ATOM 1285 SG CYS A 107 -2.936 -6.355 -6.483 1.00 0.00 S ATOM 0 H CYS A 107 -1.744 -6.599 -3.152 1.00 0.00 H new ATOM 0 HA CYS A 107 -1.019 -8.265 -5.580 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -1.343 -5.259 -5.036 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -0.568 -5.881 -6.480 1.00 0.00 H new ATOM 1290 N VAL A 108 1.317 -8.310 -4.886 1.00 0.00 N ATOM 1291 CA VAL A 108 2.759 -8.333 -4.494 1.00 0.00 C ATOM 1292 C VAL A 108 3.660 -8.289 -5.736 1.00 0.00 C ATOM 1293 O VAL A 108 3.359 -8.882 -6.754 1.00 0.00 O ATOM 1294 CB VAL A 108 2.952 -9.648 -3.724 1.00 0.00 C ATOM 1295 CG1 VAL A 108 1.998 -9.690 -2.527 1.00 0.00 C ATOM 1296 CG2 VAL A 108 2.664 -10.845 -4.638 1.00 0.00 C ATOM 0 H VAL A 108 1.007 -9.110 -5.437 1.00 0.00 H new ATOM 0 HA VAL A 108 3.028 -7.468 -3.887 1.00 0.00 H new ATOM 0 HB VAL A 108 3.984 -9.701 -3.376 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.138 -10.624 -1.983 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.208 -8.850 -1.865 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.969 -9.626 -2.880 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.804 -11.771 -4.080 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.636 -10.790 -4.997 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.346 -10.826 -5.488 1.00 0.00 H new ATOM 1306 N GLY A 109 4.764 -7.592 -5.656 1.00 0.00 N ATOM 1307 CA GLY A 109 5.691 -7.506 -6.829 1.00 0.00 C ATOM 1308 C GLY A 109 7.027 -6.903 -6.393 1.00 0.00 C ATOM 1309 O GLY A 109 7.294 -6.754 -5.217 1.00 0.00 O ATOM 0 H GLY A 109 5.066 -7.077 -4.829 1.00 0.00 H new ATOM 0 HA2 GLY A 109 5.850 -8.498 -7.251 1.00 0.00 H new ATOM 0 HA3 GLY A 109 5.244 -6.894 -7.613 1.00 0.00 H new ATOM 1313 N THR A 110 7.873 -6.555 -7.331 1.00 0.00 N ATOM 1314 CA THR A 110 9.197 -5.960 -6.960 1.00 0.00 C ATOM 1315 C THR A 110 9.427 -4.640 -7.706 1.00 0.00 C ATOM 1316 O THR A 110 9.190 -4.534 -8.895 1.00 0.00 O ATOM 1317 CB THR A 110 10.258 -7.001 -7.354 1.00 0.00 C ATOM 1318 OG1 THR A 110 10.281 -7.169 -8.769 1.00 0.00 O ATOM 1319 CG2 THR A 110 9.950 -8.342 -6.681 1.00 0.00 C ATOM 0 H THR A 110 7.707 -6.656 -8.332 1.00 0.00 H new ATOM 0 HA THR A 110 9.244 -5.731 -5.895 1.00 0.00 H new ATOM 0 HB THR A 110 11.234 -6.648 -7.022 1.00 0.00 H new ATOM 0 HG1 THR A 110 10.961 -7.833 -9.009 1.00 0.00 H new ATOM 0 HG21 THR A 110 10.706 -9.074 -6.965 1.00 0.00 H new ATOM 0 HG22 THR A 110 9.956 -8.216 -5.598 1.00 0.00 H new ATOM 0 HG23 THR A 110 8.968 -8.692 -7.000 1.00 0.00 H new ATOM 1327 N VAL A 111 9.890 -3.634 -7.006 1.00 0.00 N ATOM 1328 CA VAL A 111 10.145 -2.307 -7.650 1.00 0.00 C ATOM 1329 C VAL A 111 11.390 -1.652 -7.038 1.00 0.00 C ATOM 1330 O VAL A 111 11.769 -1.945 -5.919 1.00 0.00 O ATOM 1331 CB VAL A 111 8.899 -1.454 -7.363 1.00 0.00 C ATOM 1332 CG1 VAL A 111 7.711 -1.985 -8.170 1.00 0.00 C ATOM 1333 CG2 VAL A 111 8.560 -1.505 -5.868 1.00 0.00 C ATOM 0 H VAL A 111 10.104 -3.675 -6.009 1.00 0.00 H new ATOM 0 HA VAL A 111 10.324 -2.408 -8.721 1.00 0.00 H new ATOM 0 HB VAL A 111 9.104 -0.423 -7.651 1.00 0.00 H new ATOM 0 HG11 VAL A 111 6.830 -1.377 -7.963 1.00 0.00 H new ATOM 0 HG12 VAL A 111 7.943 -1.937 -9.234 1.00 0.00 H new ATOM 0 HG13 VAL A 111 7.513 -3.019 -7.888 1.00 0.00 H new ATOM 0 HG21 VAL A 111 7.676 -0.898 -5.674 1.00 0.00 H new ATOM 0 HG22 VAL A 111 8.363 -2.536 -5.574 1.00 0.00 H new ATOM 0 HG23 VAL A 111 9.400 -1.117 -5.291 1.00 0.00 H new ATOM 1343 N THR A 112 12.024 -0.765 -7.761 1.00 0.00 N ATOM 1344 CA THR A 112 13.243 -0.087 -7.222 1.00 0.00 C ATOM 1345 C THR A 112 12.840 1.117 -6.359 1.00 0.00 C ATOM 1346 O THR A 112 11.931 1.856 -6.694 1.00 0.00 O ATOM 1347 CB THR A 112 14.035 0.367 -8.455 1.00 0.00 C ATOM 1348 OG1 THR A 112 14.099 -0.699 -9.395 1.00 0.00 O ATOM 1349 CG2 THR A 112 15.453 0.763 -8.037 1.00 0.00 C ATOM 0 H THR A 112 11.751 -0.480 -8.702 1.00 0.00 H new ATOM 0 HA THR A 112 13.834 -0.747 -6.588 1.00 0.00 H new ATOM 0 HB THR A 112 13.538 1.225 -8.909 1.00 0.00 H new ATOM 0 HG1 THR A 112 14.603 -0.410 -10.184 1.00 0.00 H new ATOM 0 HG21 THR A 112 16.014 1.085 -8.914 1.00 0.00 H new ATOM 0 HG22 THR A 112 15.405 1.580 -7.317 1.00 0.00 H new ATOM 0 HG23 THR A 112 15.951 -0.093 -7.582 1.00 0.00 H new ATOM 1357 N LEU A 113 13.509 1.311 -5.248 1.00 0.00 N ATOM 1358 CA LEU A 113 13.173 2.458 -4.347 1.00 0.00 C ATOM 1359 C LEU A 113 13.780 3.769 -4.871 1.00 0.00 C ATOM 1360 O LEU A 113 13.189 4.824 -4.735 1.00 0.00 O ATOM 1361 CB LEU A 113 13.783 2.089 -2.990 1.00 0.00 C ATOM 1362 CG LEU A 113 13.002 2.780 -1.869 1.00 0.00 C ATOM 1363 CD1 LEU A 113 11.626 2.128 -1.722 1.00 0.00 C ATOM 1364 CD2 LEU A 113 13.771 2.646 -0.551 1.00 0.00 C ATOM 0 H LEU A 113 14.276 0.722 -4.925 1.00 0.00 H new ATOM 0 HA LEU A 113 12.097 2.621 -4.286 1.00 0.00 H new ATOM 0 HB2 LEU A 113 13.758 1.008 -2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 113 14.830 2.391 -2.957 1.00 0.00 H new ATOM 0 HG LEU A 113 12.879 3.835 -2.114 1.00 0.00 H new ATOM 0 HD11 LEU A 113 11.073 2.622 -0.923 1.00 0.00 H new ATOM 0 HD12 LEU A 113 11.076 2.224 -2.658 1.00 0.00 H new ATOM 0 HD13 LEU A 113 11.748 1.072 -1.480 1.00 0.00 H new ATOM 0 HD21 LEU A 113 13.214 3.138 0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 113 13.896 1.591 -0.308 1.00 0.00 H new ATOM 0 HD23 LEU A 113 14.750 3.114 -0.652 1.00 0.00 H new ATOM 1376 N ASP A 114 14.954 3.710 -5.462 1.00 0.00 N ATOM 1377 CA ASP A 114 15.605 4.955 -5.991 1.00 0.00 C ATOM 1378 C ASP A 114 14.639 5.717 -6.904 1.00 0.00 C ATOM 1379 O ASP A 114 14.510 6.924 -6.815 1.00 0.00 O ATOM 1380 CB ASP A 114 16.819 4.472 -6.792 1.00 0.00 C ATOM 1381 CG ASP A 114 18.001 4.234 -5.849 1.00 0.00 C ATOM 1382 OD1 ASP A 114 18.056 3.169 -5.258 1.00 0.00 O ATOM 1383 OD2 ASP A 114 18.832 5.118 -5.736 1.00 0.00 O ATOM 0 H ASP A 114 15.489 2.853 -5.601 1.00 0.00 H new ATOM 0 HA ASP A 114 15.890 5.634 -5.187 1.00 0.00 H new ATOM 0 HB2 ASP A 114 16.574 3.552 -7.322 1.00 0.00 H new ATOM 0 HB3 ASP A 114 17.087 5.212 -7.546 1.00 0.00 H new ATOM 1388 N GLN A 115 13.957 5.016 -7.775 1.00 0.00 N ATOM 1389 CA GLN A 115 12.992 5.686 -8.695 1.00 0.00 C ATOM 1390 C GLN A 115 11.813 4.752 -9.003 1.00 0.00 C ATOM 1391 O GLN A 115 11.980 3.693 -9.581 1.00 0.00 O ATOM 1392 CB GLN A 115 13.790 6.009 -9.969 1.00 0.00 C ATOM 1393 CG GLN A 115 14.538 4.763 -10.471 1.00 0.00 C ATOM 1394 CD GLN A 115 14.504 4.723 -12.002 1.00 0.00 C ATOM 1395 OE1 GLN A 115 13.354 4.726 -12.621 1.00 0.00 O flip ATOM 1396 NE2 GLN A 115 15.535 4.687 -12.644 1.00 0.00 N flip ATOM 0 H GLN A 115 14.029 4.005 -7.888 1.00 0.00 H new ATOM 0 HA GLN A 115 12.568 6.589 -8.255 1.00 0.00 H new ATOM 0 HB2 GLN A 115 13.116 6.372 -10.745 1.00 0.00 H new ATOM 0 HB3 GLN A 115 14.502 6.809 -9.766 1.00 0.00 H new ATOM 0 HG2 GLN A 115 15.570 4.781 -10.121 1.00 0.00 H new ATOM 0 HG3 GLN A 115 14.079 3.862 -10.064 1.00 0.00 H new ATOM 0 HE21 GLN A 115 16.435 4.685 -12.164 1.00 0.00 H new ATOM 0 HE22 GLN A 115 15.501 4.659 -13.663 1.00 0.00 H new ATOM 1405 N ILE A 116 10.623 5.139 -8.614 1.00 0.00 N ATOM 1406 CA ILE A 116 9.422 4.284 -8.879 1.00 0.00 C ATOM 1407 C ILE A 116 9.160 4.217 -10.390 1.00 0.00 C ATOM 1408 O ILE A 116 8.570 5.111 -10.971 1.00 0.00 O ATOM 1409 CB ILE A 116 8.265 4.977 -8.145 1.00 0.00 C ATOM 1410 CG1 ILE A 116 8.541 4.968 -6.636 1.00 0.00 C ATOM 1411 CG2 ILE A 116 6.949 4.240 -8.422 1.00 0.00 C ATOM 1412 CD1 ILE A 116 8.167 6.325 -6.035 1.00 0.00 C ATOM 0 H ILE A 116 10.430 6.012 -8.123 1.00 0.00 H new ATOM 0 HA ILE A 116 9.550 3.258 -8.534 1.00 0.00 H new ATOM 0 HB ILE A 116 8.183 6.004 -8.501 1.00 0.00 H new ATOM 0 HG12 ILE A 116 7.966 4.176 -6.156 1.00 0.00 H new ATOM 0 HG13 ILE A 116 9.594 4.755 -6.450 1.00 0.00 H new ATOM 0 HG21 ILE A 116 6.135 4.739 -7.897 1.00 0.00 H new ATOM 0 HG22 ILE A 116 6.747 4.246 -9.493 1.00 0.00 H new ATOM 0 HG23 ILE A 116 7.028 3.210 -8.073 1.00 0.00 H new ATOM 0 HD11 ILE A 116 8.364 6.315 -4.963 1.00 0.00 H new ATOM 0 HD12 ILE A 116 8.761 7.108 -6.506 1.00 0.00 H new ATOM 0 HD13 ILE A 116 7.108 6.520 -6.207 1.00 0.00 H new ATOM 1424 N LYS A 117 9.609 3.167 -11.027 1.00 0.00 N ATOM 1425 CA LYS A 117 9.407 3.032 -12.503 1.00 0.00 C ATOM 1426 C LYS A 117 8.194 2.143 -12.811 1.00 0.00 C ATOM 1427 O LYS A 117 7.775 1.339 -11.999 1.00 0.00 O ATOM 1428 CB LYS A 117 10.698 2.393 -13.035 1.00 0.00 C ATOM 1429 CG LYS A 117 10.901 1.006 -12.409 1.00 0.00 C ATOM 1430 CD LYS A 117 11.221 -0.017 -13.503 1.00 0.00 C ATOM 1431 CE LYS A 117 10.272 -1.215 -13.379 1.00 0.00 C ATOM 1432 NZ LYS A 117 9.214 -0.992 -14.407 1.00 0.00 N ATOM 0 H LYS A 117 10.109 2.394 -10.588 1.00 0.00 H new ATOM 0 HA LYS A 117 9.209 3.996 -12.971 1.00 0.00 H new ATOM 0 HB2 LYS A 117 10.649 2.306 -14.120 1.00 0.00 H new ATOM 0 HB3 LYS A 117 11.550 3.032 -12.805 1.00 0.00 H new ATOM 0 HG2 LYS A 117 11.713 1.040 -11.682 1.00 0.00 H new ATOM 0 HG3 LYS A 117 10.003 0.706 -11.869 1.00 0.00 H new ATOM 0 HD2 LYS A 117 11.117 0.442 -14.486 1.00 0.00 H new ATOM 0 HD3 LYS A 117 12.255 -0.349 -13.414 1.00 0.00 H new ATOM 0 HE2 LYS A 117 10.799 -2.153 -13.555 1.00 0.00 H new ATOM 0 HE3 LYS A 117 9.842 -1.273 -12.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 8.313 -1.388 -14.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 9.103 0.028 -14.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 9.487 -1.461 -15.294 1.00 0.00 H new ATOM 1446 N ASP A 118 7.640 2.284 -13.989 1.00 0.00 N ATOM 1447 CA ASP A 118 6.462 1.456 -14.384 1.00 0.00 C ATOM 1448 C ASP A 118 6.756 0.732 -15.710 1.00 0.00 C ATOM 1449 O ASP A 118 7.668 1.107 -16.423 1.00 0.00 O ATOM 1450 CB ASP A 118 5.312 2.456 -14.555 1.00 0.00 C ATOM 1451 CG ASP A 118 4.382 2.390 -13.340 1.00 0.00 C ATOM 1452 OD1 ASP A 118 4.693 3.025 -12.345 1.00 0.00 O ATOM 1453 OD2 ASP A 118 3.375 1.708 -13.425 1.00 0.00 O ATOM 0 H ASP A 118 7.957 2.944 -14.699 1.00 0.00 H new ATOM 0 HA ASP A 118 6.223 0.690 -13.647 1.00 0.00 H new ATOM 0 HB2 ASP A 118 5.709 3.465 -14.666 1.00 0.00 H new ATOM 0 HB3 ASP A 118 4.754 2.231 -15.464 1.00 0.00 H new ATOM 1458 N PRO A 119 5.980 -0.288 -16.003 1.00 0.00 N ATOM 1459 CA PRO A 119 4.876 -0.715 -15.103 1.00 0.00 C ATOM 1460 C PRO A 119 5.423 -1.455 -13.874 1.00 0.00 C ATOM 1461 O PRO A 119 6.591 -1.796 -13.807 1.00 0.00 O ATOM 1462 CB PRO A 119 4.047 -1.655 -15.973 1.00 0.00 C ATOM 1463 CG PRO A 119 4.996 -2.175 -17.005 1.00 0.00 C ATOM 1464 CD PRO A 119 6.065 -1.131 -17.203 1.00 0.00 C ATOM 0 HA PRO A 119 4.301 0.125 -14.714 1.00 0.00 H new ATOM 0 HB2 PRO A 119 3.624 -2.468 -15.382 1.00 0.00 H new ATOM 0 HB3 PRO A 119 3.212 -1.129 -16.436 1.00 0.00 H new ATOM 0 HG2 PRO A 119 5.436 -3.118 -16.681 1.00 0.00 H new ATOM 0 HG3 PRO A 119 4.474 -2.372 -17.941 1.00 0.00 H new ATOM 0 HD2 PRO A 119 7.051 -1.585 -17.300 1.00 0.00 H new ATOM 0 HD3 PRO A 119 5.891 -0.551 -18.109 1.00 0.00 H new ATOM 1472 N LEU A 120 4.578 -1.711 -12.908 1.00 0.00 N ATOM 1473 CA LEU A 120 5.028 -2.437 -11.681 1.00 0.00 C ATOM 1474 C LEU A 120 4.740 -3.935 -11.828 1.00 0.00 C ATOM 1475 O LEU A 120 3.604 -4.372 -11.790 1.00 0.00 O ATOM 1476 CB LEU A 120 4.255 -1.820 -10.497 1.00 0.00 C ATOM 1477 CG LEU A 120 2.747 -1.751 -10.789 1.00 0.00 C ATOM 1478 CD1 LEU A 120 1.963 -2.108 -9.524 1.00 0.00 C ATOM 1479 CD2 LEU A 120 2.371 -0.331 -11.224 1.00 0.00 C ATOM 0 H LEU A 120 3.593 -1.448 -12.916 1.00 0.00 H new ATOM 0 HA LEU A 120 6.101 -2.337 -11.519 1.00 0.00 H new ATOM 0 HB2 LEU A 120 4.427 -2.413 -9.599 1.00 0.00 H new ATOM 0 HB3 LEU A 120 4.635 -0.818 -10.295 1.00 0.00 H new ATOM 0 HG LEU A 120 2.505 -2.456 -11.585 1.00 0.00 H new ATOM 0 HD11 LEU A 120 0.894 -2.059 -9.732 1.00 0.00 H new ATOM 0 HD12 LEU A 120 2.225 -3.117 -9.206 1.00 0.00 H new ATOM 0 HD13 LEU A 120 2.211 -1.402 -8.731 1.00 0.00 H new ATOM 0 HD21 LEU A 120 1.302 -0.285 -11.430 1.00 0.00 H new ATOM 0 HD22 LEU A 120 2.617 0.371 -10.427 1.00 0.00 H new ATOM 0 HD23 LEU A 120 2.926 -0.067 -12.124 1.00 0.00 H new ATOM 1491 N ASP A 121 5.774 -4.717 -12.015 1.00 0.00 N ATOM 1492 CA ASP A 121 5.601 -6.195 -12.187 1.00 0.00 C ATOM 1493 C ASP A 121 5.092 -6.824 -10.885 1.00 0.00 C ATOM 1494 O ASP A 121 5.854 -7.334 -10.082 1.00 0.00 O ATOM 1495 CB ASP A 121 6.997 -6.719 -12.540 1.00 0.00 C ATOM 1496 CG ASP A 121 7.373 -6.277 -13.960 1.00 0.00 C ATOM 1497 OD1 ASP A 121 7.579 -5.089 -14.161 1.00 0.00 O ATOM 1498 OD2 ASP A 121 7.448 -7.135 -14.823 1.00 0.00 O ATOM 0 H ASP A 121 6.740 -4.393 -12.056 1.00 0.00 H new ATOM 0 HA ASP A 121 4.871 -6.441 -12.958 1.00 0.00 H new ATOM 0 HB2 ASP A 121 7.729 -6.341 -11.826 1.00 0.00 H new ATOM 0 HB3 ASP A 121 7.016 -7.807 -12.471 1.00 0.00 H new ATOM 1503 N ILE A 122 3.804 -6.773 -10.671 1.00 0.00 N ATOM 1504 CA ILE A 122 3.218 -7.345 -9.420 1.00 0.00 C ATOM 1505 C ILE A 122 2.083 -8.329 -9.738 1.00 0.00 C ATOM 1506 O ILE A 122 1.379 -8.193 -10.723 1.00 0.00 O ATOM 1507 CB ILE A 122 2.673 -6.140 -8.638 1.00 0.00 C ATOM 1508 CG1 ILE A 122 1.567 -5.449 -9.450 1.00 0.00 C ATOM 1509 CG2 ILE A 122 3.803 -5.139 -8.366 1.00 0.00 C ATOM 1510 CD1 ILE A 122 0.201 -5.801 -8.861 1.00 0.00 C ATOM 0 H ILE A 122 3.128 -6.358 -11.312 1.00 0.00 H new ATOM 0 HA ILE A 122 3.963 -7.903 -8.853 1.00 0.00 H new ATOM 0 HB ILE A 122 2.264 -6.490 -7.690 1.00 0.00 H new ATOM 0 HG12 ILE A 122 1.713 -4.369 -9.436 1.00 0.00 H new ATOM 0 HG13 ILE A 122 1.617 -5.764 -10.492 1.00 0.00 H new ATOM 0 HG21 ILE A 122 3.409 -4.287 -7.811 1.00 0.00 H new ATOM 0 HG22 ILE A 122 4.585 -5.623 -7.781 1.00 0.00 H new ATOM 0 HG23 ILE A 122 4.219 -4.794 -9.313 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -0.582 -5.310 -9.439 1.00 0.00 H new ATOM 0 HD12 ILE A 122 0.056 -6.881 -8.898 1.00 0.00 H new ATOM 0 HD13 ILE A 122 0.153 -5.464 -7.825 1.00 0.00 H new ATOM 1522 N THR A 123 1.895 -9.306 -8.890 1.00 0.00 N ATOM 1523 CA THR A 123 0.801 -10.301 -9.095 1.00 0.00 C ATOM 1524 C THR A 123 -0.139 -10.254 -7.885 1.00 0.00 C ATOM 1525 O THR A 123 0.302 -10.123 -6.758 1.00 0.00 O ATOM 1526 CB THR A 123 1.500 -11.663 -9.194 1.00 0.00 C ATOM 1527 OG1 THR A 123 2.477 -11.625 -10.231 1.00 0.00 O ATOM 1528 CG2 THR A 123 0.468 -12.750 -9.505 1.00 0.00 C ATOM 0 H THR A 123 2.460 -9.459 -8.054 1.00 0.00 H new ATOM 0 HA THR A 123 0.206 -10.104 -9.987 1.00 0.00 H new ATOM 0 HB THR A 123 1.987 -11.887 -8.245 1.00 0.00 H new ATOM 0 HG1 THR A 123 2.924 -12.495 -10.292 1.00 0.00 H new ATOM 0 HG21 THR A 123 0.967 -13.716 -9.575 1.00 0.00 H new ATOM 0 HG22 THR A 123 -0.277 -12.783 -8.710 1.00 0.00 H new ATOM 0 HG23 THR A 123 -0.022 -12.526 -10.452 1.00 0.00 H new ATOM 1536 N CYS A 124 -1.427 -10.336 -8.101 1.00 0.00 N ATOM 1537 CA CYS A 124 -2.373 -10.266 -6.946 1.00 0.00 C ATOM 1538 C CYS A 124 -3.018 -11.628 -6.667 1.00 0.00 C ATOM 1539 O CYS A 124 -3.147 -12.458 -7.548 1.00 0.00 O ATOM 1540 CB CYS A 124 -3.426 -9.227 -7.347 1.00 0.00 C ATOM 1541 SG CYS A 124 -2.607 -7.720 -7.936 1.00 0.00 S ATOM 0 H CYS A 124 -1.862 -10.447 -9.017 1.00 0.00 H new ATOM 0 HA CYS A 124 -1.860 -9.988 -6.025 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -4.070 -9.631 -8.128 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -4.065 -8.996 -6.495 1.00 0.00 H new ATOM 1546 N ASN A 125 -3.419 -11.862 -5.437 1.00 0.00 N ATOM 1547 CA ASN A 125 -4.049 -13.176 -5.090 1.00 0.00 C ATOM 1548 C ASN A 125 -5.242 -13.003 -4.139 1.00 0.00 C ATOM 1549 O ASN A 125 -5.608 -13.916 -3.423 1.00 0.00 O ATOM 1550 CB ASN A 125 -2.935 -13.982 -4.413 1.00 0.00 C ATOM 1551 CG ASN A 125 -2.332 -14.970 -5.414 1.00 0.00 C ATOM 1552 OD1 ASN A 125 -1.320 -14.691 -6.024 1.00 0.00 O ATOM 1553 ND2 ASN A 125 -2.916 -16.122 -5.612 1.00 0.00 N ATOM 0 H ASN A 125 -3.337 -11.202 -4.663 1.00 0.00 H new ATOM 0 HA ASN A 125 -4.445 -13.672 -5.976 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -2.162 -13.310 -4.040 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -3.333 -14.519 -3.552 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -2.522 -16.786 -6.278 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -3.766 -16.357 -5.100 1.00 0.00 H new ATOM 1560 N GLU A 126 -5.861 -11.853 -4.140 1.00 0.00 N ATOM 1561 CA GLU A 126 -7.046 -11.635 -3.246 1.00 0.00 C ATOM 1562 C GLU A 126 -8.144 -10.827 -3.959 1.00 0.00 C ATOM 1563 O GLU A 126 -9.126 -10.438 -3.359 1.00 0.00 O ATOM 1564 CB GLU A 126 -6.500 -10.884 -2.028 1.00 0.00 C ATOM 1565 CG GLU A 126 -7.013 -11.542 -0.745 1.00 0.00 C ATOM 1566 CD GLU A 126 -6.186 -11.050 0.445 1.00 0.00 C ATOM 1567 OE1 GLU A 126 -6.443 -9.950 0.907 1.00 0.00 O ATOM 1568 OE2 GLU A 126 -5.308 -11.781 0.873 1.00 0.00 O ATOM 0 H GLU A 126 -5.602 -11.054 -4.718 1.00 0.00 H new ATOM 0 HA GLU A 126 -7.514 -12.577 -2.960 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -5.410 -10.892 -2.042 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -6.811 -9.840 -2.063 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -8.065 -11.301 -0.595 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -6.943 -12.627 -0.827 1.00 0.00 H new