USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 726 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 42 GLN : amide:sc= -2.64 K(o=-4.2,f=-5.1!) USER MOD Set 1.2: A 98 THR OG1 : rot 110:sc= -1.55 USER MOD Set 2.1: A 9 MET CE :methyl -134:sc= -2.98 (180deg=-3.65!) USER MOD Set 2.2: A 85 HIS : no HD1:sc= -1.29 K(o=-4.3,f=-4.9) USER MOD Set 3.1: A 53 ASN : amide:sc= 0.92 K(o=0.6,f=-13!) USER MOD Set 3.2: A 55 ASN : amide:sc= -0.32 K(o=0.6,f=-9.8!) USER MOD Set 4.1: A 29 THR OG1 : rot 180:sc= 0.0567 USER MOD Set 4.2: A 31 SER OG : rot -82:sc= -0.494 USER MOD Single : A 8 THR OG1 : rot 28:sc= 0.488 USER MOD Single : A 14 SER OG : rot -41:sc= 0.913 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= -8.14! C(o=-8.1!,f=-11!) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 34 LYS NZ :NH3+ -139:sc= 1.22 (180deg=-0.543) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.165 USER MOD Single : A 38 GLN : amide:sc= -2.89 K(o=-2.9,f=-13!) USER MOD Single : A 40 GLN : amide:sc= -4.66! C(o=-4.7!,f=-8.8!) USER MOD Single : A 46 HIS : no HD1:sc= -3.18! C(o=-3.2!,f=-7.8!) USER MOD Single : A 47 ASN : amide:sc= -2.16 X(o=-2.2,f=-2.1) USER MOD Single : A 48 GLN : amide:sc= -5.76! C(o=-5.8!,f=-11!) USER MOD Single : A 49 THR OG1 : rot 80:sc= 0.0634 USER MOD Single : A 51 SER OG : rot 25:sc= -0.0808 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0812 USER MOD Single : A 60 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00401) USER MOD Single : A 61 SER OG : rot 180:sc= -0.343 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 68:sc= 1.16 USER MOD Single : A 71 MET CE :methyl -166:sc= -3.69! (180deg=-4.4!) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -120:sc= -0.466 USER MOD Single : A 82 ASN : amide:sc= -0.255 K(o=-0.26,f=-1.3!) USER MOD Single : A 87 SER OG : rot 130:sc= -1.14 USER MOD Single : A 88 MET CE :methyl -144:sc= -1.53 (180deg=-1.8) USER MOD Single : A 90 TYR OH : rot -30:sc= -0.62 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N THR A 8 -8.740 8.804 8.657 1.00 0.00 N ATOM 67 CA THR A 8 -8.775 7.416 9.085 1.00 0.00 C ATOM 68 C THR A 8 -7.474 6.707 8.702 1.00 0.00 C ATOM 69 O THR A 8 -7.197 6.509 7.520 1.00 0.00 O ATOM 70 CB THR A 8 -10.022 6.767 8.483 1.00 0.00 C ATOM 71 OG1 THR A 8 -11.087 7.629 8.875 1.00 0.00 O ATOM 72 CG2 THR A 8 -10.363 5.429 9.143 1.00 0.00 C ATOM 0 HA THR A 8 -8.843 7.338 10.170 1.00 0.00 H new ATOM 0 HB THR A 8 -9.872 6.616 7.414 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.746 8.541 8.984 1.00 0.00 H new ATOM 0 HG21 THR A 8 -11.256 5.011 8.678 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.530 4.737 9.015 1.00 0.00 H new ATOM 0 HG23 THR A 8 -10.546 5.584 10.206 1.00 0.00 H new ATOM 80 N MET A 9 -6.712 6.345 9.723 1.00 0.00 N ATOM 81 CA MET A 9 -5.448 5.662 9.508 1.00 0.00 C ATOM 82 C MET A 9 -5.615 4.146 9.631 1.00 0.00 C ATOM 83 O MET A 9 -6.326 3.667 10.512 1.00 0.00 O ATOM 84 CB MET A 9 -4.423 6.148 10.535 1.00 0.00 C ATOM 85 CG MET A 9 -3.110 5.374 10.408 1.00 0.00 C ATOM 86 SD MET A 9 -3.193 3.869 11.363 1.00 0.00 S ATOM 87 CE MET A 9 -3.563 4.544 12.974 1.00 0.00 C ATOM 0 H MET A 9 -6.946 6.512 10.702 1.00 0.00 H new ATOM 0 HA MET A 9 -5.101 5.890 8.500 1.00 0.00 H new ATOM 0 HB2 MET A 9 -4.237 7.213 10.393 1.00 0.00 H new ATOM 0 HB3 MET A 9 -4.825 6.026 11.541 1.00 0.00 H new ATOM 0 HG2 MET A 9 -2.916 5.140 9.361 1.00 0.00 H new ATOM 0 HG3 MET A 9 -2.280 5.990 10.756 1.00 0.00 H new ATOM 0 HE1 MET A 9 -2.923 4.074 13.721 1.00 0.00 H new ATOM 0 HE2 MET A 9 -3.385 5.619 12.968 1.00 0.00 H new ATOM 0 HE3 MET A 9 -4.608 4.351 13.218 1.00 0.00 H new ATOM 97 N LEU A 10 -4.948 3.435 8.735 1.00 0.00 N ATOM 98 CA LEU A 10 -5.014 1.983 8.732 1.00 0.00 C ATOM 99 C LEU A 10 -3.599 1.412 8.857 1.00 0.00 C ATOM 100 O LEU A 10 -2.623 2.090 8.541 1.00 0.00 O ATOM 101 CB LEU A 10 -5.772 1.483 7.501 1.00 0.00 C ATOM 102 CG LEU A 10 -7.268 1.804 7.459 1.00 0.00 C ATOM 103 CD1 LEU A 10 -7.943 1.112 6.273 1.00 0.00 C ATOM 104 CD2 LEU A 10 -7.941 1.454 8.787 1.00 0.00 C ATOM 0 H LEU A 10 -4.359 3.837 8.006 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.580 1.626 9.593 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.304 1.908 6.613 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.651 0.402 7.438 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.384 2.878 7.314 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -9.005 1.356 6.266 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.486 1.453 5.344 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.819 0.033 6.363 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.003 1.692 8.730 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.818 0.390 8.988 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.482 2.031 9.590 1.00 0.00 H new ATOM 116 N ARG A 11 -3.535 0.172 9.318 1.00 0.00 N ATOM 117 CA ARG A 11 -2.256 -0.497 9.489 1.00 0.00 C ATOM 118 C ARG A 11 -1.986 -1.433 8.309 1.00 0.00 C ATOM 119 O ARG A 11 -2.647 -2.460 8.163 1.00 0.00 O ATOM 120 CB ARG A 11 -2.226 -1.304 10.788 1.00 0.00 C ATOM 121 CG ARG A 11 -1.251 -0.687 11.793 1.00 0.00 C ATOM 122 CD ARG A 11 -0.905 -1.682 12.903 1.00 0.00 C ATOM 123 NE ARG A 11 -0.413 -0.959 14.097 1.00 0.00 N ATOM 124 CZ ARG A 11 0.248 -1.539 15.107 1.00 0.00 C ATOM 125 NH1 ARG A 11 0.500 -2.855 15.075 1.00 0.00 N ATOM 126 NH2 ARG A 11 0.657 -0.804 16.151 1.00 0.00 N ATOM 0 H ARG A 11 -4.347 -0.387 9.578 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.483 0.270 9.534 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.226 -1.341 11.221 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.933 -2.332 10.575 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.340 -0.379 11.279 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.691 0.210 12.228 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.785 -2.271 13.162 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.145 -2.381 12.552 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.588 0.044 14.154 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.188 -3.415 14.281 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.003 -3.297 15.844 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.465 0.197 16.176 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.160 -1.246 16.920 1.00 0.00 H new ATOM 140 N VAL A 12 -1.013 -1.045 7.498 1.00 0.00 N ATOM 141 CA VAL A 12 -0.648 -1.837 6.335 1.00 0.00 C ATOM 142 C VAL A 12 0.674 -2.558 6.610 1.00 0.00 C ATOM 143 O VAL A 12 1.746 -1.973 6.464 1.00 0.00 O ATOM 144 CB VAL A 12 -0.596 -0.948 5.091 1.00 0.00 C ATOM 145 CG1 VAL A 12 -0.199 -1.757 3.855 1.00 0.00 C ATOM 146 CG2 VAL A 12 -1.931 -0.232 4.874 1.00 0.00 C ATOM 0 H VAL A 12 -0.466 -0.193 7.623 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.402 -2.600 6.141 1.00 0.00 H new ATOM 0 HB VAL A 12 0.169 -0.189 5.253 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.170 -1.101 2.985 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.785 -2.199 4.010 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.930 -2.549 3.688 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.868 0.394 3.984 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.723 -0.970 4.744 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.155 0.391 5.740 1.00 0.00 H new ATOM 156 N ARG A 13 0.553 -3.817 7.003 1.00 0.00 N ATOM 157 CA ARG A 13 1.725 -4.624 7.300 1.00 0.00 C ATOM 158 C ARG A 13 2.354 -5.143 6.005 1.00 0.00 C ATOM 159 O ARG A 13 1.684 -5.791 5.202 1.00 0.00 O ATOM 160 CB ARG A 13 1.364 -5.812 8.195 1.00 0.00 C ATOM 161 CG ARG A 13 2.591 -6.684 8.469 1.00 0.00 C ATOM 162 CD ARG A 13 3.158 -6.409 9.864 1.00 0.00 C ATOM 163 NE ARG A 13 3.313 -7.680 10.606 1.00 0.00 N ATOM 164 CZ ARG A 13 4.292 -8.566 10.382 1.00 0.00 C ATOM 165 NH1 ARG A 13 5.210 -8.326 9.435 1.00 0.00 N ATOM 166 NH2 ARG A 13 4.355 -9.693 11.104 1.00 0.00 N ATOM 0 H ARG A 13 -0.338 -4.299 7.123 1.00 0.00 H new ATOM 0 HA ARG A 13 2.439 -3.991 7.827 1.00 0.00 H new ATOM 0 HB2 ARG A 13 0.953 -5.450 9.137 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.588 -6.410 7.717 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.320 -7.736 8.383 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.355 -6.489 7.717 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.122 -5.907 9.781 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.494 -5.738 10.410 1.00 0.00 H new ATOM 0 HE ARG A 13 2.631 -7.895 11.334 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.163 -7.468 8.885 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.956 -9.001 9.265 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.657 -9.877 11.825 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.101 -10.367 10.933 1.00 0.00 H new ATOM 180 N SER A 14 3.633 -4.838 5.842 1.00 0.00 N ATOM 181 CA SER A 14 4.359 -5.265 4.659 1.00 0.00 C ATOM 182 C SER A 14 5.587 -6.083 5.065 1.00 0.00 C ATOM 183 O SER A 14 6.110 -5.918 6.166 1.00 0.00 O ATOM 184 CB SER A 14 4.779 -4.065 3.807 1.00 0.00 C ATOM 185 OG SER A 14 5.589 -3.149 4.538 1.00 0.00 O ATOM 0 H SER A 14 4.185 -4.300 6.510 1.00 0.00 H new ATOM 0 HA SER A 14 3.697 -5.889 4.059 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.327 -4.415 2.932 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.890 -3.551 3.441 1.00 0.00 H new ATOM 0 HG SER A 14 5.231 -3.047 5.444 1.00 0.00 H new ATOM 191 N ARG A 15 6.011 -6.947 4.154 1.00 0.00 N ATOM 192 CA ARG A 15 7.167 -7.790 4.404 1.00 0.00 C ATOM 193 C ARG A 15 8.347 -6.944 4.889 1.00 0.00 C ATOM 194 O ARG A 15 9.123 -7.383 5.736 1.00 0.00 O ATOM 195 CB ARG A 15 7.578 -8.550 3.141 1.00 0.00 C ATOM 196 CG ARG A 15 7.804 -7.589 1.973 1.00 0.00 C ATOM 197 CD ARG A 15 8.007 -8.355 0.664 1.00 0.00 C ATOM 198 NE ARG A 15 9.453 -8.506 0.385 1.00 0.00 N ATOM 199 CZ ARG A 15 9.948 -9.114 -0.702 1.00 0.00 C ATOM 200 NH1 ARG A 15 9.118 -9.631 -1.618 1.00 0.00 N ATOM 201 NH2 ARG A 15 11.274 -9.204 -0.873 1.00 0.00 N ATOM 0 H ARG A 15 5.574 -7.081 3.242 1.00 0.00 H new ATOM 0 HA ARG A 15 6.891 -8.510 5.174 1.00 0.00 H new ATOM 0 HB2 ARG A 15 8.490 -9.116 3.333 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.804 -9.272 2.879 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.949 -6.919 1.878 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.676 -6.966 2.173 1.00 0.00 H new ATOM 0 HD2 ARG A 15 7.537 -9.336 0.730 1.00 0.00 H new ATOM 0 HD3 ARG A 15 7.523 -7.824 -0.156 1.00 0.00 H new ATOM 0 HE ARG A 15 10.113 -8.124 1.062 1.00 0.00 H new ATOM 0 HH11 ARG A 15 8.109 -9.562 -1.488 1.00 0.00 H new ATOM 0 HH12 ARG A 15 9.496 -10.094 -2.445 1.00 0.00 H new ATOM 0 HH21 ARG A 15 11.906 -8.810 -0.176 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.651 -9.667 -1.700 1.00 0.00 H new ATOM 215 N ASP A 16 8.444 -5.747 4.330 1.00 0.00 N ATOM 216 CA ASP A 16 9.515 -4.836 4.694 1.00 0.00 C ATOM 217 C ASP A 16 9.310 -4.365 6.136 1.00 0.00 C ATOM 218 O ASP A 16 10.277 -4.135 6.861 1.00 0.00 O ATOM 219 CB ASP A 16 9.521 -3.602 3.790 1.00 0.00 C ATOM 220 CG ASP A 16 10.896 -3.200 3.253 1.00 0.00 C ATOM 221 OD1 ASP A 16 11.894 -3.669 3.840 1.00 0.00 O ATOM 222 OD2 ASP A 16 10.918 -2.432 2.266 1.00 0.00 O ATOM 0 H ASP A 16 7.798 -5.387 3.627 1.00 0.00 H new ATOM 0 HA ASP A 16 10.461 -5.367 4.585 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.857 -3.786 2.945 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.105 -2.762 4.345 1.00 0.00 H new ATOM 227 N GLY A 17 8.045 -4.235 6.508 1.00 0.00 N ATOM 228 CA GLY A 17 7.701 -3.796 7.849 1.00 0.00 C ATOM 229 C GLY A 17 6.266 -3.270 7.902 1.00 0.00 C ATOM 230 O GLY A 17 5.524 -3.379 6.927 1.00 0.00 O ATOM 0 H GLY A 17 7.246 -4.426 5.904 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.814 -4.625 8.547 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.391 -3.014 8.168 1.00 0.00 H new ATOM 234 N LEU A 18 5.917 -2.710 9.051 1.00 0.00 N ATOM 235 CA LEU A 18 4.583 -2.166 9.244 1.00 0.00 C ATOM 236 C LEU A 18 4.576 -0.690 8.844 1.00 0.00 C ATOM 237 O LEU A 18 5.505 0.049 9.166 1.00 0.00 O ATOM 238 CB LEU A 18 4.104 -2.417 10.676 1.00 0.00 C ATOM 239 CG LEU A 18 2.741 -1.826 11.040 1.00 0.00 C ATOM 240 CD1 LEU A 18 2.789 -0.297 11.040 1.00 0.00 C ATOM 241 CD2 LEU A 18 1.645 -2.365 10.119 1.00 0.00 C ATOM 0 H LEU A 18 6.535 -2.621 9.858 1.00 0.00 H new ATOM 0 HA LEU A 18 3.867 -2.675 8.599 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.067 -3.494 10.842 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.848 -2.014 11.363 1.00 0.00 H new ATOM 0 HG LEU A 18 2.492 -2.141 12.054 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.807 0.098 11.302 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.524 0.044 11.769 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.070 0.058 10.049 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.686 -1.929 10.400 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.875 -2.101 9.087 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.591 -3.450 10.213 1.00 0.00 H new ATOM 253 N GLU A 19 3.517 -0.303 8.147 1.00 0.00 N ATOM 254 CA GLU A 19 3.376 1.072 7.700 1.00 0.00 C ATOM 255 C GLU A 19 1.934 1.547 7.890 1.00 0.00 C ATOM 256 O GLU A 19 1.013 0.735 7.955 1.00 0.00 O ATOM 257 CB GLU A 19 3.815 1.221 6.242 1.00 0.00 C ATOM 258 CG GLU A 19 5.285 1.633 6.151 1.00 0.00 C ATOM 259 CD GLU A 19 5.716 1.810 4.693 1.00 0.00 C ATOM 260 OE1 GLU A 19 5.837 0.773 4.007 1.00 0.00 O ATOM 261 OE2 GLU A 19 5.914 2.980 4.298 1.00 0.00 O ATOM 0 H GLU A 19 2.748 -0.919 7.881 1.00 0.00 H new ATOM 0 HA GLU A 19 4.027 1.700 8.308 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.665 0.279 5.715 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.193 1.966 5.746 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.440 2.565 6.695 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.908 0.877 6.629 1.00 0.00 H new ATOM 268 N ARG A 20 1.785 2.861 7.974 1.00 0.00 N ATOM 269 CA ARG A 20 0.471 3.454 8.156 1.00 0.00 C ATOM 270 C ARG A 20 0.105 4.314 6.944 1.00 0.00 C ATOM 271 O ARG A 20 0.960 4.995 6.381 1.00 0.00 O ATOM 272 CB ARG A 20 0.426 4.318 9.418 1.00 0.00 C ATOM 273 CG ARG A 20 0.470 3.451 10.677 1.00 0.00 C ATOM 274 CD ARG A 20 0.611 4.314 11.933 1.00 0.00 C ATOM 275 NE ARG A 20 -0.295 3.817 12.993 1.00 0.00 N ATOM 276 CZ ARG A 20 0.015 2.829 13.844 1.00 0.00 C ATOM 277 NH1 ARG A 20 1.210 2.227 13.765 1.00 0.00 N ATOM 278 NH2 ARG A 20 -0.869 2.444 14.774 1.00 0.00 N ATOM 0 H ARG A 20 2.552 3.531 7.919 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.248 2.641 8.260 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.268 5.010 9.419 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.482 4.921 9.418 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.439 2.853 10.743 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.306 2.755 10.614 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.642 4.293 12.285 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.376 5.352 11.699 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.213 4.254 13.081 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.883 2.521 13.057 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.446 1.475 14.413 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.778 2.903 14.834 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.633 1.692 15.422 1.00 0.00 H new ATOM 292 N VAL A 21 -1.168 4.255 6.579 1.00 0.00 N ATOM 293 CA VAL A 21 -1.658 5.020 5.445 1.00 0.00 C ATOM 294 C VAL A 21 -2.975 5.700 5.825 1.00 0.00 C ATOM 295 O VAL A 21 -3.750 5.162 6.613 1.00 0.00 O ATOM 296 CB VAL A 21 -1.784 4.115 4.218 1.00 0.00 C ATOM 297 CG1 VAL A 21 -2.380 4.877 3.033 1.00 0.00 C ATOM 298 CG2 VAL A 21 -0.433 3.498 3.851 1.00 0.00 C ATOM 0 H VAL A 21 -1.875 3.689 7.049 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.951 5.806 5.180 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.466 3.302 4.470 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.459 4.210 2.174 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.371 5.245 3.298 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.736 5.719 2.781 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.551 2.859 2.976 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.281 4.291 3.628 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.065 2.903 4.687 1.00 0.00 H new ATOM 308 N SER A 22 -3.187 6.873 5.246 1.00 0.00 N ATOM 309 CA SER A 22 -4.396 7.632 5.513 1.00 0.00 C ATOM 310 C SER A 22 -5.415 7.404 4.395 1.00 0.00 C ATOM 311 O SER A 22 -5.076 7.486 3.215 1.00 0.00 O ATOM 312 CB SER A 22 -4.090 9.124 5.656 1.00 0.00 C ATOM 313 OG SER A 22 -5.164 9.833 6.269 1.00 0.00 O ATOM 0 H SER A 22 -2.541 7.316 4.593 1.00 0.00 H new ATOM 0 HA SER A 22 -4.817 7.283 6.456 1.00 0.00 H new ATOM 0 HB2 SER A 22 -3.185 9.253 6.249 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.890 9.549 4.672 1.00 0.00 H new ATOM 0 HG SER A 22 -4.929 10.782 6.344 1.00 0.00 H new ATOM 319 N VAL A 23 -6.643 7.122 4.805 1.00 0.00 N ATOM 320 CA VAL A 23 -7.713 6.881 3.852 1.00 0.00 C ATOM 321 C VAL A 23 -8.882 7.821 4.156 1.00 0.00 C ATOM 322 O VAL A 23 -8.736 8.769 4.926 1.00 0.00 O ATOM 323 CB VAL A 23 -8.113 5.404 3.875 1.00 0.00 C ATOM 324 CG1 VAL A 23 -6.890 4.503 3.688 1.00 0.00 C ATOM 325 CG2 VAL A 23 -8.858 5.058 5.165 1.00 0.00 C ATOM 0 H VAL A 23 -6.921 7.055 5.784 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.376 7.097 2.838 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.791 5.226 3.040 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.201 3.459 3.708 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.419 4.723 2.730 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.178 4.685 4.493 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.131 4.003 5.156 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.215 5.259 6.022 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.760 5.665 5.238 1.00 0.00 H new ATOM 335 N ASP A 24 -10.014 7.526 3.535 1.00 0.00 N ATOM 336 CA ASP A 24 -11.207 8.332 3.730 1.00 0.00 C ATOM 337 C ASP A 24 -12.185 7.579 4.635 1.00 0.00 C ATOM 338 O ASP A 24 -12.478 8.024 5.743 1.00 0.00 O ATOM 339 CB ASP A 24 -11.910 8.607 2.399 1.00 0.00 C ATOM 340 CG ASP A 24 -11.030 9.244 1.322 1.00 0.00 C ATOM 341 OD1 ASP A 24 -10.147 8.522 0.810 1.00 0.00 O ATOM 342 OD2 ASP A 24 -11.259 10.439 1.036 1.00 0.00 O ATOM 0 H ASP A 24 -10.131 6.740 2.896 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.905 9.278 4.180 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -12.307 7.668 2.014 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.762 9.261 2.584 1.00 0.00 H new ATOM 347 N GLY A 25 -12.662 6.452 4.127 1.00 0.00 N ATOM 348 CA GLY A 25 -13.601 5.633 4.876 1.00 0.00 C ATOM 349 C GLY A 25 -14.057 4.429 4.050 1.00 0.00 C ATOM 350 O GLY A 25 -13.351 3.990 3.144 1.00 0.00 O ATOM 0 H GLY A 25 -12.416 6.087 3.207 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -13.134 5.290 5.799 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -14.466 6.232 5.160 1.00 0.00 H new ATOM 354 N PRO A 26 -15.266 3.916 4.402 1.00 0.00 N ATOM 355 CA PRO A 26 -15.825 2.770 3.704 1.00 0.00 C ATOM 356 C PRO A 26 -16.358 3.174 2.327 1.00 0.00 C ATOM 357 O PRO A 26 -16.448 2.344 1.424 1.00 0.00 O ATOM 358 CB PRO A 26 -16.908 2.237 4.627 1.00 0.00 C ATOM 359 CG PRO A 26 -17.232 3.369 5.588 1.00 0.00 C ATOM 360 CD PRO A 26 -16.130 4.410 5.470 1.00 0.00 C ATOM 0 HA PRO A 26 -15.082 2.000 3.497 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -17.791 1.940 4.062 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -16.563 1.355 5.166 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -18.200 3.809 5.348 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -17.297 2.996 6.610 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -16.537 5.392 5.228 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -15.582 4.514 6.406 1.00 0.00 H new ATOM 368 N HIS A 27 -16.698 4.449 2.211 1.00 0.00 N ATOM 369 CA HIS A 27 -17.220 4.973 0.960 1.00 0.00 C ATOM 370 C HIS A 27 -16.221 4.701 -0.167 1.00 0.00 C ATOM 371 O HIS A 27 -16.577 4.754 -1.343 1.00 0.00 O ATOM 372 CB HIS A 27 -17.570 6.456 1.096 1.00 0.00 C ATOM 373 CG HIS A 27 -16.510 7.277 1.790 1.00 0.00 C ATOM 374 ND1 HIS A 27 -16.619 8.645 1.971 1.00 0.00 N ATOM 375 CD2 HIS A 27 -15.319 6.909 2.345 1.00 0.00 C ATOM 376 CE1 HIS A 27 -15.538 9.070 2.607 1.00 0.00 C ATOM 377 NE2 HIS A 27 -14.733 7.993 2.837 1.00 0.00 N ATOM 0 H HIS A 27 -16.622 5.135 2.962 1.00 0.00 H new ATOM 0 HA HIS A 27 -18.149 4.462 0.707 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -17.743 6.870 0.103 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -18.506 6.549 1.648 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -17.399 9.227 1.666 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -14.921 5.906 2.378 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -15.330 10.090 2.893 1.00 0.00 H new ATOM 385 N ILE A 28 -14.990 4.416 0.233 1.00 0.00 N ATOM 386 CA ILE A 28 -13.937 4.136 -0.729 1.00 0.00 C ATOM 387 C ILE A 28 -13.870 2.628 -0.979 1.00 0.00 C ATOM 388 O ILE A 28 -14.373 1.839 -0.181 1.00 0.00 O ATOM 389 CB ILE A 28 -12.612 4.742 -0.263 1.00 0.00 C ATOM 390 CG1 ILE A 28 -11.991 3.907 0.859 1.00 0.00 C ATOM 391 CG2 ILE A 28 -12.791 6.206 0.143 1.00 0.00 C ATOM 392 CD1 ILE A 28 -10.702 3.230 0.390 1.00 0.00 C ATOM 0 H ILE A 28 -14.698 4.373 1.209 1.00 0.00 H new ATOM 0 HA ILE A 28 -14.158 4.609 -1.686 1.00 0.00 H new ATOM 0 HB ILE A 28 -11.915 4.724 -1.101 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -11.779 4.545 1.717 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -12.703 3.151 1.191 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.834 6.612 0.470 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -13.156 6.778 -0.710 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -13.511 6.272 0.959 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -10.281 2.643 1.207 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.921 2.574 -0.453 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -9.984 3.989 0.082 1.00 0.00 H new ATOM 404 N THR A 29 -13.243 2.273 -2.092 1.00 0.00 N ATOM 405 CA THR A 29 -13.103 0.874 -2.458 1.00 0.00 C ATOM 406 C THR A 29 -11.627 0.474 -2.481 1.00 0.00 C ATOM 407 O THR A 29 -10.747 1.326 -2.367 1.00 0.00 O ATOM 408 CB THR A 29 -13.811 0.662 -3.797 1.00 0.00 C ATOM 409 OG1 THR A 29 -13.144 1.553 -4.687 1.00 0.00 O ATOM 410 CG2 THR A 29 -15.257 1.164 -3.781 1.00 0.00 C ATOM 0 H THR A 29 -12.827 2.930 -2.752 1.00 0.00 H new ATOM 0 HA THR A 29 -13.572 0.223 -1.720 1.00 0.00 H new ATOM 0 HB THR A 29 -13.798 -0.398 -4.051 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.539 1.479 -5.581 1.00 0.00 H new ATOM 0 HG21 THR A 29 -15.713 0.990 -4.755 1.00 0.00 H new ATOM 0 HG22 THR A 29 -15.819 0.629 -3.016 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.269 2.231 -3.560 1.00 0.00 H new ATOM 418 N VAL A 30 -11.400 -0.823 -2.630 1.00 0.00 N ATOM 419 CA VAL A 30 -10.045 -1.347 -2.670 1.00 0.00 C ATOM 420 C VAL A 30 -9.222 -0.542 -3.677 1.00 0.00 C ATOM 421 O VAL A 30 -8.042 -0.278 -3.450 1.00 0.00 O ATOM 422 CB VAL A 30 -10.072 -2.845 -2.980 1.00 0.00 C ATOM 423 CG1 VAL A 30 -8.660 -3.377 -3.233 1.00 0.00 C ATOM 424 CG2 VAL A 30 -10.760 -3.625 -1.858 1.00 0.00 C ATOM 0 H VAL A 30 -12.132 -1.527 -2.725 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.564 -1.239 -1.698 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.652 -2.989 -3.891 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.707 -4.444 -3.451 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.220 -2.852 -4.081 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.046 -3.214 -2.347 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.766 -4.687 -2.104 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.220 -3.471 -0.924 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.786 -3.273 -1.746 1.00 0.00 H new ATOM 434 N SER A 31 -9.876 -0.174 -4.769 1.00 0.00 N ATOM 435 CA SER A 31 -9.219 0.595 -5.812 1.00 0.00 C ATOM 436 C SER A 31 -8.597 1.860 -5.216 1.00 0.00 C ATOM 437 O SER A 31 -7.404 2.108 -5.386 1.00 0.00 O ATOM 438 CB SER A 31 -10.201 0.961 -6.927 1.00 0.00 C ATOM 439 OG SER A 31 -10.759 2.259 -6.742 1.00 0.00 O ATOM 0 H SER A 31 -10.855 -0.394 -4.954 1.00 0.00 H new ATOM 0 HA SER A 31 -8.431 -0.020 -6.246 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.689 0.920 -7.889 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.003 0.223 -6.961 1.00 0.00 H new ATOM 0 HG SER A 31 -11.508 2.206 -6.112 1.00 0.00 H new ATOM 445 N GLN A 32 -9.433 2.626 -4.530 1.00 0.00 N ATOM 446 CA GLN A 32 -8.980 3.858 -3.909 1.00 0.00 C ATOM 447 C GLN A 32 -7.982 3.553 -2.790 1.00 0.00 C ATOM 448 O GLN A 32 -7.085 4.350 -2.519 1.00 0.00 O ATOM 449 CB GLN A 32 -10.162 4.673 -3.381 1.00 0.00 C ATOM 450 CG GLN A 32 -11.041 5.171 -4.530 1.00 0.00 C ATOM 451 CD GLN A 32 -11.808 6.432 -4.126 1.00 0.00 C ATOM 452 OE1 GLN A 32 -11.240 7.484 -3.881 1.00 0.00 O ATOM 453 NE2 GLN A 32 -13.127 6.269 -4.071 1.00 0.00 N ATOM 0 H GLN A 32 -10.422 2.417 -4.391 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.476 4.459 -4.666 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -10.756 4.061 -2.703 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -9.794 5.522 -2.805 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -10.422 5.381 -5.402 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -11.744 4.390 -4.820 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -13.538 5.361 -4.288 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -13.727 7.052 -3.811 1.00 0.00 H new ATOM 462 N LEU A 33 -8.171 2.397 -2.171 1.00 0.00 N ATOM 463 CA LEU A 33 -7.298 1.976 -1.088 1.00 0.00 C ATOM 464 C LEU A 33 -5.890 1.739 -1.637 1.00 0.00 C ATOM 465 O LEU A 33 -4.922 2.316 -1.143 1.00 0.00 O ATOM 466 CB LEU A 33 -7.889 0.765 -0.364 1.00 0.00 C ATOM 467 CG LEU A 33 -7.381 0.521 1.059 1.00 0.00 C ATOM 468 CD1 LEU A 33 -7.959 -0.775 1.632 1.00 0.00 C ATOM 469 CD2 LEU A 33 -5.852 0.536 1.106 1.00 0.00 C ATOM 0 H LEU A 33 -8.916 1.739 -2.399 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.219 2.760 -0.335 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.972 0.882 -0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.684 -0.125 -0.959 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.730 1.337 1.691 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.583 -0.925 2.644 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.047 -0.709 1.656 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.660 -1.615 1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.518 0.360 2.128 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.460 -0.247 0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.487 1.505 0.767 1.00 0.00 H new ATOM 481 N LYS A 34 -5.820 0.888 -2.650 1.00 0.00 N ATOM 482 CA LYS A 34 -4.546 0.567 -3.271 1.00 0.00 C ATOM 483 C LYS A 34 -3.871 1.859 -3.738 1.00 0.00 C ATOM 484 O LYS A 34 -2.814 2.230 -3.230 1.00 0.00 O ATOM 485 CB LYS A 34 -4.738 -0.464 -4.385 1.00 0.00 C ATOM 486 CG LYS A 34 -4.903 -1.871 -3.807 1.00 0.00 C ATOM 487 CD LYS A 34 -5.862 -2.705 -4.660 1.00 0.00 C ATOM 488 CE LYS A 34 -5.787 -4.185 -4.281 1.00 0.00 C ATOM 489 NZ LYS A 34 -6.598 -5.000 -5.212 1.00 0.00 N ATOM 0 H LYS A 34 -6.625 0.411 -3.056 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.877 0.100 -2.548 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.615 -0.205 -4.978 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.881 -0.442 -5.058 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.932 -2.364 -3.758 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.280 -1.807 -2.786 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.881 -2.343 -4.527 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.616 -2.583 -5.715 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.750 -4.520 -4.304 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.145 -4.324 -3.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.110 -5.731 -4.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.281 -4.389 -5.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.974 -5.454 -5.910 1.00 0.00 H new ATOM 503 N THR A 35 -4.510 2.508 -4.700 1.00 0.00 N ATOM 504 CA THR A 35 -3.985 3.750 -5.241 1.00 0.00 C ATOM 505 C THR A 35 -3.320 4.574 -4.137 1.00 0.00 C ATOM 506 O THR A 35 -2.228 5.106 -4.327 1.00 0.00 O ATOM 507 CB THR A 35 -5.132 4.484 -5.939 1.00 0.00 C ATOM 508 OG1 THR A 35 -5.197 3.880 -7.228 1.00 0.00 O ATOM 509 CG2 THR A 35 -4.799 5.949 -6.230 1.00 0.00 C ATOM 0 H THR A 35 -5.387 2.197 -5.119 1.00 0.00 H new ATOM 0 HA THR A 35 -3.204 3.561 -5.978 1.00 0.00 H new ATOM 0 HB THR A 35 -6.027 4.432 -5.319 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.916 4.295 -7.748 1.00 0.00 H new ATOM 0 HG21 THR A 35 -5.646 6.423 -6.726 1.00 0.00 H new ATOM 0 HG22 THR A 35 -4.589 6.467 -5.294 1.00 0.00 H new ATOM 0 HG23 THR A 35 -3.924 6.001 -6.878 1.00 0.00 H new ATOM 517 N LEU A 36 -4.007 4.653 -3.006 1.00 0.00 N ATOM 518 CA LEU A 36 -3.496 5.402 -1.871 1.00 0.00 C ATOM 519 C LEU A 36 -2.116 4.863 -1.489 1.00 0.00 C ATOM 520 O LEU A 36 -1.106 5.537 -1.687 1.00 0.00 O ATOM 521 CB LEU A 36 -4.503 5.385 -0.720 1.00 0.00 C ATOM 522 CG LEU A 36 -5.512 6.535 -0.694 1.00 0.00 C ATOM 523 CD1 LEU A 36 -6.573 6.310 0.385 1.00 0.00 C ATOM 524 CD2 LEU A 36 -4.804 7.881 -0.529 1.00 0.00 C ATOM 0 H LEU A 36 -4.913 4.210 -2.852 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.367 6.452 -2.135 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.054 4.445 -0.760 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.951 5.391 0.220 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.029 6.558 -1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.277 7.142 0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.107 5.382 0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.092 6.246 1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.544 8.682 -0.514 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.245 7.886 0.407 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.119 8.036 -1.362 1.00 0.00 H new ATOM 536 N ILE A 37 -2.117 3.654 -0.948 1.00 0.00 N ATOM 537 CA ILE A 37 -0.878 3.017 -0.536 1.00 0.00 C ATOM 538 C ILE A 37 0.098 3.000 -1.714 1.00 0.00 C ATOM 539 O ILE A 37 1.300 3.183 -1.531 1.00 0.00 O ATOM 540 CB ILE A 37 -1.157 1.632 0.052 1.00 0.00 C ATOM 541 CG1 ILE A 37 -1.699 1.741 1.479 1.00 0.00 C ATOM 542 CG2 ILE A 37 0.086 0.744 -0.023 1.00 0.00 C ATOM 543 CD1 ILE A 37 -3.198 1.441 1.520 1.00 0.00 C ATOM 0 H ILE A 37 -2.957 3.098 -0.785 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.404 3.587 0.263 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.930 1.155 -0.550 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.167 1.045 2.128 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.514 2.743 1.867 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.140 -0.234 0.401 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.387 0.627 -1.064 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.897 1.205 0.540 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.558 1.525 2.545 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.729 2.154 0.889 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.377 0.430 1.155 1.00 0.00 H new ATOM 555 N GLN A 38 -0.456 2.778 -2.897 1.00 0.00 N ATOM 556 CA GLN A 38 0.350 2.734 -4.105 1.00 0.00 C ATOM 557 C GLN A 38 1.112 4.049 -4.282 1.00 0.00 C ATOM 558 O GLN A 38 2.220 4.061 -4.815 1.00 0.00 O ATOM 559 CB GLN A 38 -0.514 2.432 -5.330 1.00 0.00 C ATOM 560 CG GLN A 38 0.110 3.016 -6.599 1.00 0.00 C ATOM 561 CD GLN A 38 -0.537 4.354 -6.963 1.00 0.00 C ATOM 562 OE1 GLN A 38 -0.518 5.309 -6.204 1.00 0.00 O ATOM 563 NE2 GLN A 38 -1.109 4.369 -8.164 1.00 0.00 N ATOM 0 H GLN A 38 -1.454 2.627 -3.045 1.00 0.00 H new ATOM 0 HA GLN A 38 1.075 1.926 -4.005 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.630 1.354 -5.441 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.512 2.847 -5.187 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.181 3.154 -6.451 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.010 2.314 -7.424 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.088 3.534 -8.749 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.568 5.216 -8.500 1.00 0.00 H new ATOM 572 N ASP A 39 0.487 5.124 -3.825 1.00 0.00 N ATOM 573 CA ASP A 39 1.092 6.441 -3.927 1.00 0.00 C ATOM 574 C ASP A 39 1.885 6.733 -2.651 1.00 0.00 C ATOM 575 O ASP A 39 3.072 7.049 -2.713 1.00 0.00 O ATOM 576 CB ASP A 39 0.025 7.528 -4.079 1.00 0.00 C ATOM 577 CG ASP A 39 0.489 8.792 -4.804 1.00 0.00 C ATOM 578 OD1 ASP A 39 1.632 9.216 -4.531 1.00 0.00 O ATOM 579 OD2 ASP A 39 -0.311 9.307 -5.616 1.00 0.00 O ATOM 0 H ASP A 39 -0.432 5.110 -3.383 1.00 0.00 H new ATOM 0 HA ASP A 39 1.740 6.447 -4.803 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.825 7.109 -4.618 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.332 7.806 -3.088 1.00 0.00 H new ATOM 584 N GLN A 40 1.197 6.617 -1.525 1.00 0.00 N ATOM 585 CA GLN A 40 1.823 6.864 -0.237 1.00 0.00 C ATOM 586 C GLN A 40 3.063 5.984 -0.072 1.00 0.00 C ATOM 587 O GLN A 40 4.156 6.487 0.184 1.00 0.00 O ATOM 588 CB GLN A 40 0.832 6.635 0.906 1.00 0.00 C ATOM 589 CG GLN A 40 0.157 7.946 1.317 1.00 0.00 C ATOM 590 CD GLN A 40 -0.848 7.714 2.447 1.00 0.00 C ATOM 591 OE1 GLN A 40 -0.495 7.409 3.574 1.00 0.00 O ATOM 592 NE2 GLN A 40 -2.117 7.875 2.083 1.00 0.00 N ATOM 0 H GLN A 40 0.212 6.355 -1.478 1.00 0.00 H new ATOM 0 HA GLN A 40 2.135 7.908 -0.200 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.076 5.913 0.597 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.352 6.205 1.762 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.912 8.663 1.639 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.351 8.383 0.457 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.343 8.131 1.122 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.864 7.742 2.765 1.00 0.00 H new ATOM 601 N LEU A 41 2.853 4.684 -0.225 1.00 0.00 N ATOM 602 CA LEU A 41 3.940 3.730 -0.096 1.00 0.00 C ATOM 603 C LEU A 41 4.759 3.718 -1.389 1.00 0.00 C ATOM 604 O LEU A 41 5.870 3.191 -1.419 1.00 0.00 O ATOM 605 CB LEU A 41 3.401 2.355 0.303 1.00 0.00 C ATOM 606 CG LEU A 41 2.533 2.314 1.562 1.00 0.00 C ATOM 607 CD1 LEU A 41 2.369 0.880 2.070 1.00 0.00 C ATOM 608 CD2 LEU A 41 3.089 3.245 2.642 1.00 0.00 C ATOM 0 H LEU A 41 1.945 4.270 -0.437 1.00 0.00 H new ATOM 0 HA LEU A 41 4.615 4.028 0.706 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.818 1.960 -0.529 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.247 1.683 0.447 1.00 0.00 H new ATOM 0 HG LEU A 41 1.539 2.679 1.303 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.748 0.880 2.966 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.894 0.273 1.299 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.348 0.464 2.308 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.453 3.197 3.526 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.100 2.934 2.905 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.110 4.268 2.265 1.00 0.00 H new ATOM 620 N GLN A 42 4.177 4.304 -2.425 1.00 0.00 N ATOM 621 CA GLN A 42 4.839 4.368 -3.717 1.00 0.00 C ATOM 622 C GLN A 42 5.057 2.958 -4.271 1.00 0.00 C ATOM 623 O GLN A 42 6.184 2.578 -4.585 1.00 0.00 O ATOM 624 CB GLN A 42 6.163 5.128 -3.618 1.00 0.00 C ATOM 625 CG GLN A 42 5.921 6.628 -3.435 1.00 0.00 C ATOM 626 CD GLN A 42 5.114 7.200 -4.602 1.00 0.00 C ATOM 627 OE1 GLN A 42 4.964 6.587 -5.647 1.00 0.00 O ATOM 628 NE2 GLN A 42 4.603 8.405 -4.368 1.00 0.00 N ATOM 0 H GLN A 42 3.255 4.739 -2.396 1.00 0.00 H new ATOM 0 HA GLN A 42 4.195 4.914 -4.407 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.745 4.745 -2.780 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.752 4.958 -4.519 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.389 6.803 -2.500 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.876 7.148 -3.360 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.766 8.863 -3.471 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.048 8.871 -5.085 1.00 0.00 H new ATOM 637 N ILE A 43 3.960 2.222 -4.376 1.00 0.00 N ATOM 638 CA ILE A 43 4.017 0.864 -4.888 1.00 0.00 C ATOM 639 C ILE A 43 2.926 0.675 -5.944 1.00 0.00 C ATOM 640 O ILE A 43 1.826 1.208 -5.808 1.00 0.00 O ATOM 641 CB ILE A 43 3.941 -0.145 -3.739 1.00 0.00 C ATOM 642 CG1 ILE A 43 5.068 0.088 -2.731 1.00 0.00 C ATOM 643 CG2 ILE A 43 3.934 -1.580 -4.269 1.00 0.00 C ATOM 644 CD1 ILE A 43 4.736 -0.551 -1.381 1.00 0.00 C ATOM 0 H ILE A 43 3.027 2.541 -4.115 1.00 0.00 H new ATOM 0 HA ILE A 43 4.973 0.682 -5.380 1.00 0.00 H new ATOM 0 HB ILE A 43 2.999 0.008 -3.211 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.998 -0.330 -3.117 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.229 1.158 -2.601 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.880 -2.277 -3.432 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.070 -1.724 -4.918 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.847 -1.763 -4.835 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.553 -0.371 -0.682 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.819 -0.113 -0.987 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.599 -1.625 -1.510 1.00 0.00 H new ATOM 656 N PRO A 44 3.278 -0.105 -7.001 1.00 0.00 N ATOM 657 CA PRO A 44 2.342 -0.370 -8.080 1.00 0.00 C ATOM 658 C PRO A 44 1.277 -1.380 -7.646 1.00 0.00 C ATOM 659 O PRO A 44 1.604 -2.466 -7.170 1.00 0.00 O ATOM 660 CB PRO A 44 3.200 -0.870 -9.231 1.00 0.00 C ATOM 661 CG PRO A 44 4.517 -1.307 -8.610 1.00 0.00 C ATOM 662 CD PRO A 44 4.572 -0.752 -7.196 1.00 0.00 C ATOM 0 HA PRO A 44 1.779 0.515 -8.375 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.717 -1.700 -9.746 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.358 -0.085 -9.970 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.590 -2.394 -8.596 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.357 -0.938 -9.198 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.732 -1.545 -6.465 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.391 -0.042 -7.081 1.00 0.00 H new ATOM 670 N ILE A 45 0.026 -0.985 -7.827 1.00 0.00 N ATOM 671 CA ILE A 45 -1.089 -1.841 -7.460 1.00 0.00 C ATOM 672 C ILE A 45 -0.863 -3.241 -8.036 1.00 0.00 C ATOM 673 O ILE A 45 -0.843 -4.224 -7.298 1.00 0.00 O ATOM 674 CB ILE A 45 -2.415 -1.207 -7.887 1.00 0.00 C ATOM 675 CG1 ILE A 45 -2.532 0.224 -7.360 1.00 0.00 C ATOM 676 CG2 ILE A 45 -3.600 -2.075 -7.458 1.00 0.00 C ATOM 677 CD1 ILE A 45 -3.976 0.725 -7.449 1.00 0.00 C ATOM 0 H ILE A 45 -0.240 -0.084 -8.223 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.147 -1.947 -6.377 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.434 -1.152 -8.975 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.193 0.263 -6.325 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.879 0.881 -7.934 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.530 -1.602 -7.773 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.517 -3.058 -7.921 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.598 -2.184 -6.373 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -4.031 1.745 -7.068 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.304 0.708 -8.488 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.622 0.080 -6.854 1.00 0.00 H new ATOM 689 N HIS A 46 -0.699 -3.285 -9.350 1.00 0.00 N ATOM 690 CA HIS A 46 -0.475 -4.547 -10.034 1.00 0.00 C ATOM 691 C HIS A 46 0.446 -5.431 -9.192 1.00 0.00 C ATOM 692 O HIS A 46 0.358 -6.657 -9.248 1.00 0.00 O ATOM 693 CB HIS A 46 0.059 -4.312 -11.448 1.00 0.00 C ATOM 694 CG HIS A 46 0.722 -2.968 -11.639 1.00 0.00 C ATOM 695 ND1 HIS A 46 0.010 -1.784 -11.706 1.00 0.00 N ATOM 696 CD2 HIS A 46 2.038 -2.635 -11.774 1.00 0.00 C ATOM 697 CE1 HIS A 46 0.868 -0.789 -11.875 1.00 0.00 C ATOM 698 NE2 HIS A 46 2.124 -1.318 -11.918 1.00 0.00 N ATOM 0 H HIS A 46 -0.717 -2.467 -9.959 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.422 -5.075 -10.149 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.776 -5.097 -11.690 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.765 -4.403 -12.156 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.869 -3.325 -11.765 1.00 0.00 H new ATOM 0 HE1 HIS A 46 0.617 0.258 -11.963 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.987 -0.789 -12.041 1.00 0.00 H new ATOM 706 N ASN A 47 1.309 -4.774 -8.431 1.00 0.00 N ATOM 707 CA ASN A 47 2.246 -5.485 -7.577 1.00 0.00 C ATOM 708 C ASN A 47 1.652 -5.619 -6.174 1.00 0.00 C ATOM 709 O ASN A 47 1.743 -6.678 -5.555 1.00 0.00 O ATOM 710 CB ASN A 47 3.569 -4.726 -7.460 1.00 0.00 C ATOM 711 CG ASN A 47 4.457 -4.977 -8.680 1.00 0.00 C ATOM 712 OD1 ASN A 47 4.035 -5.531 -9.683 1.00 0.00 O ATOM 713 ND2 ASN A 47 5.705 -4.542 -8.540 1.00 0.00 N ATOM 0 H ASN A 47 1.379 -3.757 -8.388 1.00 0.00 H new ATOM 0 HA ASN A 47 2.429 -6.464 -8.020 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.372 -3.658 -7.363 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.092 -5.037 -6.556 1.00 0.00 H new ATOM 0 HD21 ASN A 47 6.376 -4.663 -9.299 1.00 0.00 H new ATOM 0 HD22 ASN A 47 5.992 -4.087 -7.674 1.00 0.00 H new ATOM 720 N GLN A 48 1.055 -4.530 -5.713 1.00 0.00 N ATOM 721 CA GLN A 48 0.445 -4.512 -4.394 1.00 0.00 C ATOM 722 C GLN A 48 -0.505 -5.700 -4.232 1.00 0.00 C ATOM 723 O GLN A 48 -1.198 -6.078 -5.176 1.00 0.00 O ATOM 724 CB GLN A 48 -0.283 -3.190 -4.144 1.00 0.00 C ATOM 725 CG GLN A 48 0.656 -1.999 -4.348 1.00 0.00 C ATOM 726 CD GLN A 48 0.276 -0.838 -3.428 1.00 0.00 C ATOM 727 OE1 GLN A 48 1.005 -0.464 -2.523 1.00 0.00 O ATOM 728 NE2 GLN A 48 -0.902 -0.288 -3.708 1.00 0.00 N ATOM 0 H GLN A 48 0.981 -3.653 -6.229 1.00 0.00 H new ATOM 0 HA GLN A 48 1.236 -4.600 -3.649 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.134 -3.106 -4.820 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.679 -3.175 -3.129 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.684 -2.303 -4.150 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.615 -1.673 -5.387 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.463 -0.649 -4.480 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.245 0.495 -3.151 1.00 0.00 H new ATOM 737 N THR A 49 -0.506 -6.256 -3.030 1.00 0.00 N ATOM 738 CA THR A 49 -1.360 -7.394 -2.733 1.00 0.00 C ATOM 739 C THR A 49 -2.059 -7.199 -1.386 1.00 0.00 C ATOM 740 O THR A 49 -1.436 -7.335 -0.334 1.00 0.00 O ATOM 741 CB THR A 49 -0.501 -8.659 -2.794 1.00 0.00 C ATOM 742 OG1 THR A 49 -0.222 -8.822 -4.182 1.00 0.00 O ATOM 743 CG2 THR A 49 -1.285 -9.918 -2.421 1.00 0.00 C ATOM 0 H THR A 49 0.071 -5.940 -2.250 1.00 0.00 H new ATOM 0 HA THR A 49 -2.159 -7.491 -3.468 1.00 0.00 H new ATOM 0 HB THR A 49 0.352 -8.551 -2.124 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.503 -8.216 -4.443 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.629 -10.786 -2.481 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.667 -9.821 -1.405 1.00 0.00 H new ATOM 0 HG23 THR A 49 -2.119 -10.045 -3.111 1.00 0.00 H new ATOM 751 N LEU A 50 -3.344 -6.884 -1.462 1.00 0.00 N ATOM 752 CA LEU A 50 -4.134 -6.669 -0.262 1.00 0.00 C ATOM 753 C LEU A 50 -4.736 -8.000 0.192 1.00 0.00 C ATOM 754 O LEU A 50 -5.326 -8.724 -0.609 1.00 0.00 O ATOM 755 CB LEU A 50 -5.173 -5.571 -0.494 1.00 0.00 C ATOM 756 CG LEU A 50 -4.695 -4.136 -0.266 1.00 0.00 C ATOM 757 CD1 LEU A 50 -3.901 -4.023 1.036 1.00 0.00 C ATOM 758 CD2 LEU A 50 -3.899 -3.625 -1.469 1.00 0.00 C ATOM 0 H LEU A 50 -3.857 -6.773 -2.336 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.502 -6.311 0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.537 -5.653 -1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.023 -5.758 0.162 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.572 -3.496 -0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.573 -2.993 1.174 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.532 -4.318 1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.031 -4.678 0.989 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.571 -2.603 -1.281 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.029 -4.262 -1.627 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.530 -3.646 -2.358 1.00 0.00 H new ATOM 770 N SER A 51 -4.567 -8.283 1.476 1.00 0.00 N ATOM 771 CA SER A 51 -5.087 -9.514 2.046 1.00 0.00 C ATOM 772 C SER A 51 -5.172 -9.391 3.568 1.00 0.00 C ATOM 773 O SER A 51 -4.276 -8.834 4.200 1.00 0.00 O ATOM 774 CB SER A 51 -4.217 -10.711 1.657 1.00 0.00 C ATOM 775 OG SER A 51 -4.897 -11.949 1.846 1.00 0.00 O ATOM 0 H SER A 51 -4.077 -7.680 2.137 1.00 0.00 H new ATOM 0 HA SER A 51 -6.087 -9.681 1.646 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.918 -10.618 0.613 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.304 -10.704 2.252 1.00 0.00 H new ATOM 0 HG SER A 51 -5.865 -11.801 1.803 1.00 0.00 H new ATOM 781 N THR A 52 -6.257 -9.921 4.113 1.00 0.00 N ATOM 782 CA THR A 52 -6.470 -9.877 5.550 1.00 0.00 C ATOM 783 C THR A 52 -5.842 -11.101 6.220 1.00 0.00 C ATOM 784 O THR A 52 -6.382 -11.626 7.193 1.00 0.00 O ATOM 785 CB THR A 52 -7.974 -9.751 5.801 1.00 0.00 C ATOM 786 OG1 THR A 52 -8.551 -10.741 4.954 1.00 0.00 O ATOM 787 CG2 THR A 52 -8.547 -8.433 5.279 1.00 0.00 C ATOM 0 H THR A 52 -6.998 -10.383 3.586 1.00 0.00 H new ATOM 0 HA THR A 52 -5.978 -9.013 5.997 1.00 0.00 H new ATOM 0 HB THR A 52 -8.172 -9.833 6.870 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.526 -10.730 5.055 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.617 -8.395 5.483 1.00 0.00 H new ATOM 0 HG22 THR A 52 -8.053 -7.599 5.777 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.380 -8.364 4.204 1.00 0.00 H new ATOM 795 N ASN A 53 -4.711 -11.521 5.672 1.00 0.00 N ATOM 796 CA ASN A 53 -4.004 -12.673 6.204 1.00 0.00 C ATOM 797 C ASN A 53 -2.522 -12.329 6.362 1.00 0.00 C ATOM 798 O ASN A 53 -1.916 -11.750 5.462 1.00 0.00 O ATOM 799 CB ASN A 53 -4.113 -13.871 5.258 1.00 0.00 C ATOM 800 CG ASN A 53 -4.433 -15.152 6.030 1.00 0.00 C ATOM 801 OD1 ASN A 53 -3.561 -15.825 6.556 1.00 0.00 O ATOM 802 ND2 ASN A 53 -5.728 -15.452 6.067 1.00 0.00 N ATOM 0 H ASN A 53 -4.267 -11.084 4.865 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.452 -12.929 7.164 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -4.891 -13.685 4.518 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -3.177 -13.995 4.713 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -6.044 -16.289 6.557 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -6.405 -14.845 5.605 1.00 0.00 H new ATOM 809 N ARG A 54 -1.981 -12.698 7.514 1.00 0.00 N ATOM 810 CA ARG A 54 -0.582 -12.435 7.802 1.00 0.00 C ATOM 811 C ARG A 54 0.312 -13.398 7.018 1.00 0.00 C ATOM 812 O ARG A 54 1.520 -13.191 6.922 1.00 0.00 O ATOM 813 CB ARG A 54 -0.290 -12.583 9.297 1.00 0.00 C ATOM 814 CG ARG A 54 -0.441 -14.039 9.744 1.00 0.00 C ATOM 815 CD ARG A 54 -1.745 -14.242 10.518 1.00 0.00 C ATOM 816 NE ARG A 54 -2.350 -15.544 10.159 1.00 0.00 N ATOM 817 CZ ARG A 54 -3.621 -15.879 10.418 1.00 0.00 C ATOM 818 NH1 ARG A 54 -4.430 -15.009 11.039 1.00 0.00 N ATOM 819 NH2 ARG A 54 -4.084 -17.083 10.055 1.00 0.00 N ATOM 0 H ARG A 54 -2.487 -13.177 8.259 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.369 -11.409 7.501 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.721 -12.237 9.510 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.970 -11.951 9.868 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.425 -14.694 8.873 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.406 -14.321 10.370 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.551 -14.205 11.590 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.441 -13.434 10.292 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.762 -16.229 9.685 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.078 -14.092 11.314 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -5.398 -15.264 11.236 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.469 -17.744 9.581 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.052 -17.338 10.252 1.00 0.00 H new ATOM 833 N ASN A 55 -0.318 -14.431 6.476 1.00 0.00 N ATOM 834 CA ASN A 55 0.405 -15.426 5.703 1.00 0.00 C ATOM 835 C ASN A 55 0.835 -14.815 4.368 1.00 0.00 C ATOM 836 O ASN A 55 1.606 -15.419 3.624 1.00 0.00 O ATOM 837 CB ASN A 55 -0.478 -16.640 5.405 1.00 0.00 C ATOM 838 CG ASN A 55 -0.566 -17.565 6.620 1.00 0.00 C ATOM 839 OD1 ASN A 55 0.415 -18.129 7.076 1.00 0.00 O ATOM 840 ND2 ASN A 55 -1.793 -17.689 7.117 1.00 0.00 N ATOM 0 H ASN A 55 -1.321 -14.600 6.557 1.00 0.00 H new ATOM 0 HA ASN A 55 1.270 -15.743 6.286 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.477 -16.307 5.124 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -0.073 -17.188 4.554 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.957 -18.285 7.929 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.571 -17.188 6.687 1.00 0.00 H new ATOM 847 N LEU A 56 0.318 -13.624 4.105 1.00 0.00 N ATOM 848 CA LEU A 56 0.639 -12.924 2.872 1.00 0.00 C ATOM 849 C LEU A 56 2.137 -12.619 2.840 1.00 0.00 C ATOM 850 O LEU A 56 2.800 -12.849 1.829 1.00 0.00 O ATOM 851 CB LEU A 56 -0.245 -11.686 2.714 1.00 0.00 C ATOM 852 CG LEU A 56 -0.338 -11.104 1.302 1.00 0.00 C ATOM 853 CD1 LEU A 56 -1.226 -11.971 0.408 1.00 0.00 C ATOM 854 CD2 LEU A 56 -0.808 -9.648 1.338 1.00 0.00 C ATOM 0 H LEU A 56 -0.321 -13.126 4.724 1.00 0.00 H new ATOM 0 HA LEU A 56 0.423 -13.553 2.008 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.251 -11.937 3.049 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.129 -10.910 3.382 1.00 0.00 H new ATOM 0 HG LEU A 56 0.661 -11.109 0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.275 -11.534 -0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.808 -12.976 0.344 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.229 -12.022 0.831 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.865 -9.259 0.321 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.792 -9.595 1.803 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.101 -9.052 1.915 1.00 0.00 H new ATOM 866 N LEU A 57 2.629 -12.105 3.958 1.00 0.00 N ATOM 867 CA LEU A 57 4.037 -11.766 4.070 1.00 0.00 C ATOM 868 C LEU A 57 4.882 -12.998 3.742 1.00 0.00 C ATOM 869 O LEU A 57 6.056 -12.876 3.395 1.00 0.00 O ATOM 870 CB LEU A 57 4.335 -11.165 5.445 1.00 0.00 C ATOM 871 CG LEU A 57 3.974 -9.689 5.625 1.00 0.00 C ATOM 872 CD1 LEU A 57 2.457 -9.491 5.620 1.00 0.00 C ATOM 873 CD2 LEU A 57 4.622 -9.115 6.886 1.00 0.00 C ATOM 0 H LEU A 57 2.077 -11.915 4.794 1.00 0.00 H new ATOM 0 HA LEU A 57 4.302 -10.996 3.346 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.798 -11.744 6.197 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.399 -11.286 5.649 1.00 0.00 H new ATOM 0 HG LEU A 57 4.374 -9.134 4.776 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.228 -8.433 5.750 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.048 -9.837 4.671 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.013 -10.061 6.436 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.349 -8.065 6.990 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.274 -9.668 7.758 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.706 -9.202 6.810 1.00 0.00 H new ATOM 885 N LEU A 58 4.252 -14.157 3.862 1.00 0.00 N ATOM 886 CA LEU A 58 4.931 -15.411 3.582 1.00 0.00 C ATOM 887 C LEU A 58 5.017 -15.612 2.067 1.00 0.00 C ATOM 888 O LEU A 58 6.013 -16.127 1.561 1.00 0.00 O ATOM 889 CB LEU A 58 4.249 -16.566 4.318 1.00 0.00 C ATOM 890 CG LEU A 58 3.825 -16.284 5.761 1.00 0.00 C ATOM 891 CD1 LEU A 58 3.052 -17.468 6.346 1.00 0.00 C ATOM 892 CD2 LEU A 58 5.031 -15.904 6.623 1.00 0.00 C ATOM 0 H LEU A 58 3.278 -14.254 4.149 1.00 0.00 H new ATOM 0 HA LEU A 58 5.953 -15.383 3.959 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.366 -16.861 3.752 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.926 -17.420 4.319 1.00 0.00 H new ATOM 0 HG LEU A 58 3.150 -15.428 5.758 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.762 -17.242 7.372 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.159 -17.650 5.749 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.684 -18.356 6.335 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.702 -15.709 7.644 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.750 -16.723 6.624 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.501 -15.009 6.216 1.00 0.00 H new ATOM 904 N ALA A 59 3.959 -15.196 1.386 1.00 0.00 N ATOM 905 CA ALA A 59 3.902 -15.324 -0.060 1.00 0.00 C ATOM 906 C ALA A 59 5.142 -14.672 -0.674 1.00 0.00 C ATOM 907 O ALA A 59 5.382 -13.481 -0.481 1.00 0.00 O ATOM 908 CB ALA A 59 2.602 -14.705 -0.577 1.00 0.00 C ATOM 0 H ALA A 59 3.135 -14.770 1.809 1.00 0.00 H new ATOM 0 HA ALA A 59 3.902 -16.374 -0.352 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.560 -14.801 -1.662 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.751 -15.222 -0.133 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.568 -13.650 -0.305 1.00 0.00 H new ATOM 914 N LYS A 60 5.898 -15.481 -1.402 1.00 0.00 N ATOM 915 CA LYS A 60 7.108 -14.997 -2.046 1.00 0.00 C ATOM 916 C LYS A 60 6.915 -15.017 -3.564 1.00 0.00 C ATOM 917 O LYS A 60 7.467 -14.178 -4.274 1.00 0.00 O ATOM 918 CB LYS A 60 8.323 -15.795 -1.571 1.00 0.00 C ATOM 919 CG LYS A 60 8.607 -15.531 -0.091 1.00 0.00 C ATOM 920 CD LYS A 60 8.629 -16.837 0.705 1.00 0.00 C ATOM 921 CE LYS A 60 8.993 -16.582 2.169 1.00 0.00 C ATOM 922 NZ LYS A 60 10.448 -16.353 2.309 1.00 0.00 N ATOM 0 H LYS A 60 5.696 -16.468 -1.560 1.00 0.00 H new ATOM 0 HA LYS A 60 7.303 -13.963 -1.762 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.147 -16.859 -1.727 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.195 -15.525 -2.166 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.565 -15.021 0.014 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.845 -14.866 0.316 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.653 -17.318 0.648 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.349 -17.525 0.262 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.445 -15.716 2.541 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.693 -17.434 2.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.683 -16.215 3.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.966 -17.177 1.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.719 -15.506 1.771 1.00 0.00 H new ATOM 936 N SER A 61 6.130 -15.984 -4.016 1.00 0.00 N ATOM 937 CA SER A 61 5.857 -16.124 -5.437 1.00 0.00 C ATOM 938 C SER A 61 4.517 -15.471 -5.779 1.00 0.00 C ATOM 939 O SER A 61 3.801 -15.011 -4.891 1.00 0.00 O ATOM 940 CB SER A 61 5.853 -17.595 -5.854 1.00 0.00 C ATOM 941 OG SER A 61 6.861 -17.879 -6.821 1.00 0.00 O ATOM 0 H SER A 61 5.674 -16.678 -3.424 1.00 0.00 H new ATOM 0 HA SER A 61 6.650 -15.620 -5.989 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.007 -18.221 -4.975 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.876 -17.853 -6.262 1.00 0.00 H new ATOM 0 HG SER A 61 6.827 -18.829 -7.060 1.00 0.00 H new ATOM 947 N PRO A 62 4.209 -15.450 -7.104 1.00 0.00 N ATOM 948 CA PRO A 62 2.967 -14.861 -7.575 1.00 0.00 C ATOM 949 C PRO A 62 1.778 -15.778 -7.277 1.00 0.00 C ATOM 950 O PRO A 62 0.661 -15.305 -7.077 1.00 0.00 O ATOM 951 CB PRO A 62 3.181 -14.629 -9.061 1.00 0.00 C ATOM 952 CG PRO A 62 4.349 -15.517 -9.458 1.00 0.00 C ATOM 953 CD PRO A 62 5.032 -15.985 -8.184 1.00 0.00 C ATOM 0 HA PRO A 62 2.726 -13.925 -7.070 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.286 -14.884 -9.629 1.00 0.00 H new ATOM 0 HB3 PRO A 62 3.400 -13.581 -9.265 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.000 -16.370 -10.039 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.049 -14.968 -10.087 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.085 -17.073 -8.140 1.00 0.00 H new ATOM 0 HD3 PRO A 62 6.055 -15.613 -8.124 1.00 0.00 H new ATOM 961 N SER A 63 2.060 -17.072 -7.258 1.00 0.00 N ATOM 962 CA SER A 63 1.028 -18.059 -6.989 1.00 0.00 C ATOM 963 C SER A 63 0.667 -18.045 -5.502 1.00 0.00 C ATOM 964 O SER A 63 -0.479 -18.305 -5.136 1.00 0.00 O ATOM 965 CB SER A 63 1.480 -19.458 -7.412 1.00 0.00 C ATOM 966 OG SER A 63 2.613 -19.901 -6.669 1.00 0.00 O ATOM 0 H SER A 63 2.988 -17.460 -7.425 1.00 0.00 H new ATOM 0 HA SER A 63 0.145 -17.800 -7.574 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.659 -20.161 -7.274 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.722 -19.455 -8.475 1.00 0.00 H new ATOM 0 HG SER A 63 2.869 -20.799 -6.968 1.00 0.00 H new ATOM 972 N ASP A 64 1.664 -17.739 -4.686 1.00 0.00 N ATOM 973 CA ASP A 64 1.466 -17.688 -3.248 1.00 0.00 C ATOM 974 C ASP A 64 0.696 -16.416 -2.888 1.00 0.00 C ATOM 975 O ASP A 64 0.089 -16.334 -1.822 1.00 0.00 O ATOM 976 CB ASP A 64 2.804 -17.656 -2.507 1.00 0.00 C ATOM 977 CG ASP A 64 3.019 -18.796 -1.510 1.00 0.00 C ATOM 978 OD1 ASP A 64 2.018 -19.479 -1.204 1.00 0.00 O ATOM 979 OD2 ASP A 64 4.180 -18.959 -1.076 1.00 0.00 O ATOM 0 H ASP A 64 2.612 -17.524 -4.994 1.00 0.00 H new ATOM 0 HA ASP A 64 0.912 -18.579 -2.953 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.609 -17.679 -3.241 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.885 -16.708 -1.975 1.00 0.00 H new ATOM 984 N PHE A 65 0.746 -15.455 -3.799 1.00 0.00 N ATOM 985 CA PHE A 65 0.061 -14.191 -3.591 1.00 0.00 C ATOM 986 C PHE A 65 -1.365 -14.243 -4.142 1.00 0.00 C ATOM 987 O PHE A 65 -2.274 -13.631 -3.582 1.00 0.00 O ATOM 988 CB PHE A 65 0.850 -13.124 -4.353 1.00 0.00 C ATOM 989 CG PHE A 65 2.143 -12.692 -3.658 1.00 0.00 C ATOM 990 CD1 PHE A 65 2.144 -12.431 -2.324 1.00 0.00 C ATOM 991 CD2 PHE A 65 3.292 -12.570 -4.375 1.00 0.00 C ATOM 992 CE1 PHE A 65 3.344 -12.030 -1.679 1.00 0.00 C ATOM 993 CE2 PHE A 65 4.492 -12.169 -3.731 1.00 0.00 C ATOM 994 CZ PHE A 65 4.493 -11.908 -2.396 1.00 0.00 C ATOM 0 H PHE A 65 1.250 -15.527 -4.683 1.00 0.00 H new ATOM 0 HA PHE A 65 0.003 -13.971 -2.525 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.093 -13.505 -5.345 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.215 -12.249 -4.494 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.232 -12.529 -1.754 1.00 0.00 H new ATOM 0 HD2 PHE A 65 3.292 -12.778 -5.435 1.00 0.00 H new ATOM 0 HE1 PHE A 65 3.344 -11.822 -0.619 1.00 0.00 H new ATOM 0 HE2 PHE A 65 5.404 -12.071 -4.301 1.00 0.00 H new ATOM 0 HZ PHE A 65 5.406 -11.604 -1.906 1.00 0.00 H new ATOM 1004 N LEU A 66 -1.518 -14.979 -5.233 1.00 0.00 N ATOM 1005 CA LEU A 66 -2.818 -15.119 -5.866 1.00 0.00 C ATOM 1006 C LEU A 66 -3.738 -15.936 -4.956 1.00 0.00 C ATOM 1007 O LEU A 66 -4.956 -15.765 -4.984 1.00 0.00 O ATOM 1008 CB LEU A 66 -2.669 -15.702 -7.273 1.00 0.00 C ATOM 1009 CG LEU A 66 -2.776 -17.224 -7.383 1.00 0.00 C ATOM 1010 CD1 LEU A 66 -4.181 -17.704 -7.010 1.00 0.00 C ATOM 1011 CD2 LEU A 66 -2.358 -17.704 -8.775 1.00 0.00 C ATOM 0 H LEU A 66 -0.762 -15.485 -5.695 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.284 -14.143 -5.998 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.432 -15.257 -7.912 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.702 -15.396 -7.671 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.083 -17.667 -6.667 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.230 -18.789 -7.097 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.405 -17.412 -5.984 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.910 -17.253 -7.683 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.443 -18.789 -8.826 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.007 -17.253 -9.526 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.325 -17.412 -8.966 1.00 0.00 H new ATOM 1023 N ALA A 67 -3.120 -16.807 -4.172 1.00 0.00 N ATOM 1024 CA ALA A 67 -3.868 -17.651 -3.255 1.00 0.00 C ATOM 1025 C ALA A 67 -4.692 -16.769 -2.315 1.00 0.00 C ATOM 1026 O ALA A 67 -5.669 -17.228 -1.726 1.00 0.00 O ATOM 1027 CB ALA A 67 -2.902 -18.565 -2.500 1.00 0.00 C ATOM 0 H ALA A 67 -2.110 -16.947 -4.153 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.562 -18.290 -3.800 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.463 -19.198 -1.812 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.362 -19.191 -3.211 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.192 -17.959 -1.938 1.00 0.00 H new ATOM 1033 N PHE A 68 -4.268 -15.519 -2.204 1.00 0.00 N ATOM 1034 CA PHE A 68 -4.955 -14.569 -1.346 1.00 0.00 C ATOM 1035 C PHE A 68 -5.744 -13.552 -2.174 1.00 0.00 C ATOM 1036 O PHE A 68 -5.184 -12.565 -2.648 1.00 0.00 O ATOM 1037 CB PHE A 68 -3.881 -13.832 -0.544 1.00 0.00 C ATOM 1038 CG PHE A 68 -3.104 -14.727 0.424 1.00 0.00 C ATOM 1039 CD1 PHE A 68 -2.010 -15.409 -0.010 1.00 0.00 C ATOM 1040 CD2 PHE A 68 -3.507 -14.841 1.718 1.00 0.00 C ATOM 1041 CE1 PHE A 68 -1.289 -16.239 0.888 1.00 0.00 C ATOM 1042 CE2 PHE A 68 -2.786 -15.671 2.616 1.00 0.00 C ATOM 1043 CZ PHE A 68 -1.692 -16.353 2.182 1.00 0.00 C ATOM 0 H PHE A 68 -3.457 -15.142 -2.694 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.658 -15.094 -0.699 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.179 -13.368 -1.237 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.352 -13.027 0.020 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.690 -15.319 -1.038 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.376 -14.300 2.062 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.420 -16.780 0.544 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.106 -15.761 3.644 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.144 -16.985 2.865 1.00 0.00 H new ATOM 1053 N THR A 69 -7.031 -13.829 -2.321 1.00 0.00 N ATOM 1054 CA THR A 69 -7.902 -12.950 -3.084 1.00 0.00 C ATOM 1055 C THR A 69 -9.059 -12.458 -2.211 1.00 0.00 C ATOM 1056 O THR A 69 -10.211 -12.825 -2.436 1.00 0.00 O ATOM 1057 CB THR A 69 -8.362 -13.707 -4.331 1.00 0.00 C ATOM 1058 OG1 THR A 69 -9.287 -14.669 -3.833 1.00 0.00 O ATOM 1059 CG2 THR A 69 -7.245 -14.550 -4.950 1.00 0.00 C ATOM 0 H THR A 69 -7.492 -14.649 -1.925 1.00 0.00 H new ATOM 0 HA THR A 69 -7.374 -12.053 -3.407 1.00 0.00 H new ATOM 0 HB THR A 69 -8.733 -12.996 -5.070 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.087 -14.212 -3.500 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.625 -15.066 -5.832 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.417 -13.902 -5.237 1.00 0.00 H new ATOM 0 HG23 THR A 69 -6.896 -15.283 -4.222 1.00 0.00 H new ATOM 1067 N ASP A 70 -8.711 -11.634 -1.234 1.00 0.00 N ATOM 1068 CA ASP A 70 -9.706 -11.087 -0.327 1.00 0.00 C ATOM 1069 C ASP A 70 -10.075 -9.671 -0.774 1.00 0.00 C ATOM 1070 O ASP A 70 -11.244 -9.290 -0.739 1.00 0.00 O ATOM 1071 CB ASP A 70 -9.163 -11.005 1.101 1.00 0.00 C ATOM 1072 CG ASP A 70 -8.741 -12.344 1.710 1.00 0.00 C ATOM 1073 OD1 ASP A 70 -9.654 -13.139 2.020 1.00 0.00 O ATOM 1074 OD2 ASP A 70 -7.515 -12.541 1.852 1.00 0.00 O ATOM 0 H ASP A 70 -7.754 -11.332 -1.050 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.576 -11.744 -0.346 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -8.305 -10.333 1.109 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.925 -10.557 1.738 1.00 0.00 H new ATOM 1079 N MET A 71 -9.056 -8.931 -1.185 1.00 0.00 N ATOM 1080 CA MET A 71 -9.258 -7.565 -1.639 1.00 0.00 C ATOM 1081 C MET A 71 -8.741 -7.380 -3.067 1.00 0.00 C ATOM 1082 O MET A 71 -8.108 -6.371 -3.375 1.00 0.00 O ATOM 1083 CB MET A 71 -8.527 -6.602 -0.702 1.00 0.00 C ATOM 1084 CG MET A 71 -9.134 -6.636 0.702 1.00 0.00 C ATOM 1085 SD MET A 71 -7.925 -6.108 1.904 1.00 0.00 S ATOM 1086 CE MET A 71 -7.631 -4.441 1.336 1.00 0.00 C ATOM 0 H MET A 71 -8.088 -9.251 -1.213 1.00 0.00 H new ATOM 0 HA MET A 71 -10.327 -7.353 -1.630 1.00 0.00 H new ATOM 0 HB2 MET A 71 -7.471 -6.869 -0.652 1.00 0.00 H new ATOM 0 HB3 MET A 71 -8.581 -5.589 -1.101 1.00 0.00 H new ATOM 0 HG2 MET A 71 -10.009 -5.987 0.745 1.00 0.00 H new ATOM 0 HG3 MET A 71 -9.474 -7.645 0.936 1.00 0.00 H new ATOM 0 HE1 MET A 71 -6.732 -4.048 1.810 1.00 0.00 H new ATOM 0 HE2 MET A 71 -7.499 -4.443 0.254 1.00 0.00 H new ATOM 0 HE3 MET A 71 -8.483 -3.812 1.596 1.00 0.00 H new ATOM 1096 N ALA A 72 -9.030 -8.369 -3.900 1.00 0.00 N ATOM 1097 CA ALA A 72 -8.601 -8.327 -5.288 1.00 0.00 C ATOM 1098 C ALA A 72 -9.566 -7.450 -6.089 1.00 0.00 C ATOM 1099 O ALA A 72 -9.140 -6.669 -6.939 1.00 0.00 O ATOM 1100 CB ALA A 72 -8.516 -9.752 -5.839 1.00 0.00 C ATOM 0 H ALA A 72 -9.556 -9.204 -3.641 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.608 -7.885 -5.370 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.194 -9.721 -6.880 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.797 -10.326 -5.254 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -9.496 -10.226 -5.776 1.00 0.00 H new ATOM 1106 N ASP A 73 -10.847 -7.607 -5.788 1.00 0.00 N ATOM 1107 CA ASP A 73 -11.875 -6.839 -6.470 1.00 0.00 C ATOM 1108 C ASP A 73 -11.677 -5.352 -6.170 1.00 0.00 C ATOM 1109 O ASP A 73 -11.736 -4.935 -5.014 1.00 0.00 O ATOM 1110 CB ASP A 73 -13.271 -7.237 -5.987 1.00 0.00 C ATOM 1111 CG ASP A 73 -14.424 -6.472 -6.640 1.00 0.00 C ATOM 1112 OD1 ASP A 73 -14.144 -5.758 -7.627 1.00 0.00 O ATOM 1113 OD2 ASP A 73 -15.559 -6.619 -6.137 1.00 0.00 O ATOM 0 H ASP A 73 -11.196 -8.254 -5.081 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.793 -7.039 -7.538 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.412 -8.302 -6.170 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.322 -7.089 -4.908 1.00 0.00 H new ATOM 1118 N PRO A 74 -11.440 -4.572 -7.259 1.00 0.00 N ATOM 1119 CA PRO A 74 -11.233 -3.140 -7.123 1.00 0.00 C ATOM 1120 C PRO A 74 -12.555 -2.419 -6.851 1.00 0.00 C ATOM 1121 O PRO A 74 -12.560 -1.275 -6.399 1.00 0.00 O ATOM 1122 CB PRO A 74 -10.580 -2.712 -8.427 1.00 0.00 C ATOM 1123 CG PRO A 74 -10.867 -3.825 -9.422 1.00 0.00 C ATOM 1124 CD PRO A 74 -11.363 -5.031 -8.642 1.00 0.00 C ATOM 0 HA PRO A 74 -10.600 -2.885 -6.273 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -10.988 -1.763 -8.775 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -9.507 -2.570 -8.298 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -11.615 -3.505 -10.147 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -9.967 -4.077 -9.983 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -12.336 -5.363 -9.004 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.680 -5.875 -8.742 1.00 0.00 H new ATOM 1132 N ASN A 75 -13.643 -3.117 -7.140 1.00 0.00 N ATOM 1133 CA ASN A 75 -14.968 -2.557 -6.932 1.00 0.00 C ATOM 1134 C ASN A 75 -15.490 -2.988 -5.560 1.00 0.00 C ATOM 1135 O ASN A 75 -16.650 -2.750 -5.230 1.00 0.00 O ATOM 1136 CB ASN A 75 -15.951 -3.060 -7.991 1.00 0.00 C ATOM 1137 CG ASN A 75 -15.489 -2.671 -9.397 1.00 0.00 C ATOM 1138 OD1 ASN A 75 -14.900 -1.626 -9.617 1.00 0.00 O ATOM 1139 ND2 ASN A 75 -15.788 -3.568 -10.332 1.00 0.00 N ATOM 0 H ASN A 75 -13.635 -4.065 -7.516 1.00 0.00 H new ATOM 0 HA ASN A 75 -14.889 -1.472 -6.999 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -16.043 -4.144 -7.921 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -16.940 -2.643 -7.801 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -15.522 -3.401 -11.302 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -16.283 -4.423 -10.079 1.00 0.00 H new ATOM 1146 N LEU A 76 -14.606 -3.614 -4.796 1.00 0.00 N ATOM 1147 CA LEU A 76 -14.963 -4.081 -3.467 1.00 0.00 C ATOM 1148 C LEU A 76 -14.674 -2.976 -2.449 1.00 0.00 C ATOM 1149 O LEU A 76 -13.670 -2.273 -2.558 1.00 0.00 O ATOM 1150 CB LEU A 76 -14.259 -5.403 -3.156 1.00 0.00 C ATOM 1151 CG LEU A 76 -14.329 -5.875 -1.702 1.00 0.00 C ATOM 1152 CD1 LEU A 76 -15.164 -7.151 -1.580 1.00 0.00 C ATOM 1153 CD2 LEU A 76 -12.928 -6.048 -1.113 1.00 0.00 C ATOM 0 H LEU A 76 -13.644 -3.809 -5.072 1.00 0.00 H new ATOM 0 HA LEU A 76 -16.030 -4.295 -3.412 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -14.689 -6.179 -3.790 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -13.210 -5.308 -3.436 1.00 0.00 H new ATOM 0 HG LEU A 76 -14.831 -5.104 -1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -15.198 -7.465 -0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -16.177 -6.958 -1.934 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -14.713 -7.940 -2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -13.007 -6.384 -0.079 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -12.378 -6.788 -1.694 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -12.399 -5.095 -1.146 1.00 0.00 H new ATOM 1165 N ARG A 77 -15.573 -2.856 -1.483 1.00 0.00 N ATOM 1166 CA ARG A 77 -15.427 -1.848 -0.446 1.00 0.00 C ATOM 1167 C ARG A 77 -14.685 -2.430 0.759 1.00 0.00 C ATOM 1168 O ARG A 77 -14.756 -3.631 1.016 1.00 0.00 O ATOM 1169 CB ARG A 77 -16.791 -1.324 0.008 1.00 0.00 C ATOM 1170 CG ARG A 77 -17.539 -0.664 -1.152 1.00 0.00 C ATOM 1171 CD ARG A 77 -18.542 -1.633 -1.781 1.00 0.00 C ATOM 1172 NE ARG A 77 -19.920 -1.133 -1.584 1.00 0.00 N ATOM 1173 CZ ARG A 77 -21.023 -1.850 -1.838 1.00 0.00 C ATOM 1174 NH1 ARG A 77 -20.916 -3.103 -2.300 1.00 0.00 N ATOM 1175 NH2 ARG A 77 -22.234 -1.314 -1.630 1.00 0.00 N ATOM 0 H ARG A 77 -16.405 -3.440 -1.396 1.00 0.00 H new ATOM 0 HA ARG A 77 -14.854 -1.021 -0.865 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -17.385 -2.146 0.408 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -16.658 -0.604 0.816 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -18.061 0.224 -0.794 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -16.826 -0.332 -1.907 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -18.335 -1.743 -2.845 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -18.437 -2.621 -1.332 1.00 0.00 H new ATOM 0 HE ARG A 77 -20.038 -0.183 -1.233 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -19.995 -3.511 -2.458 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -21.756 -3.649 -2.493 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -22.316 -0.360 -1.278 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -23.073 -1.860 -1.823 1.00 0.00 H new ATOM 1189 N ILE A 78 -13.990 -1.551 1.466 1.00 0.00 N ATOM 1190 CA ILE A 78 -13.235 -1.962 2.638 1.00 0.00 C ATOM 1191 C ILE A 78 -14.202 -2.474 3.707 1.00 0.00 C ATOM 1192 O ILE A 78 -13.793 -3.166 4.638 1.00 0.00 O ATOM 1193 CB ILE A 78 -12.331 -0.826 3.119 1.00 0.00 C ATOM 1194 CG1 ILE A 78 -13.145 0.436 3.411 1.00 0.00 C ATOM 1195 CG2 ILE A 78 -11.204 -0.561 2.119 1.00 0.00 C ATOM 1196 CD1 ILE A 78 -12.527 1.234 4.561 1.00 0.00 C ATOM 0 H ILE A 78 -13.934 -0.556 1.250 1.00 0.00 H new ATOM 0 HA ILE A 78 -12.566 -2.786 2.391 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.865 -1.134 4.055 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -13.192 1.057 2.517 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -14.169 0.162 3.663 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.576 0.251 2.485 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -10.601 -1.462 2.003 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -11.631 -0.283 1.155 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -13.125 2.126 4.748 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.504 0.618 5.460 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -11.511 1.527 4.296 1.00 0.00 H new ATOM 1208 N SER A 79 -15.466 -2.113 3.539 1.00 0.00 N ATOM 1209 CA SER A 79 -16.494 -2.527 4.479 1.00 0.00 C ATOM 1210 C SER A 79 -16.634 -4.050 4.464 1.00 0.00 C ATOM 1211 O SER A 79 -17.074 -4.646 5.445 1.00 0.00 O ATOM 1212 CB SER A 79 -17.835 -1.867 4.153 1.00 0.00 C ATOM 1213 OG SER A 79 -18.333 -2.269 2.880 1.00 0.00 O ATOM 0 H SER A 79 -15.801 -1.538 2.766 1.00 0.00 H new ATOM 0 HA SER A 79 -16.195 -2.206 5.477 1.00 0.00 H new ATOM 0 HB2 SER A 79 -18.562 -2.123 4.924 1.00 0.00 H new ATOM 0 HB3 SER A 79 -17.719 -0.783 4.171 1.00 0.00 H new ATOM 0 HG SER A 79 -19.191 -1.827 2.710 1.00 0.00 H new ATOM 1219 N SER A 80 -16.251 -4.637 3.339 1.00 0.00 N ATOM 1220 CA SER A 80 -16.329 -6.079 3.183 1.00 0.00 C ATOM 1221 C SER A 80 -15.603 -6.770 4.339 1.00 0.00 C ATOM 1222 O SER A 80 -16.036 -7.820 4.810 1.00 0.00 O ATOM 1223 CB SER A 80 -15.735 -6.521 1.844 1.00 0.00 C ATOM 1224 OG SER A 80 -15.871 -7.924 1.637 1.00 0.00 O ATOM 0 H SER A 80 -15.886 -4.139 2.527 1.00 0.00 H new ATOM 0 HA SER A 80 -17.380 -6.368 3.197 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.229 -5.985 1.034 1.00 0.00 H new ATOM 0 HB3 SER A 80 -14.680 -6.250 1.808 1.00 0.00 H new ATOM 0 HG SER A 80 -14.984 -8.327 1.533 1.00 0.00 H new ATOM 1230 N LEU A 81 -14.510 -6.152 4.763 1.00 0.00 N ATOM 1231 CA LEU A 81 -13.719 -6.695 5.855 1.00 0.00 C ATOM 1232 C LEU A 81 -13.938 -5.845 7.108 1.00 0.00 C ATOM 1233 O LEU A 81 -13.539 -6.235 8.204 1.00 0.00 O ATOM 1234 CB LEU A 81 -12.251 -6.818 5.444 1.00 0.00 C ATOM 1235 CG LEU A 81 -11.967 -6.747 3.942 1.00 0.00 C ATOM 1236 CD1 LEU A 81 -10.480 -6.503 3.676 1.00 0.00 C ATOM 1237 CD2 LEU A 81 -12.478 -8.000 3.227 1.00 0.00 C ATOM 0 H LEU A 81 -14.154 -5.281 4.370 1.00 0.00 H new ATOM 0 HA LEU A 81 -14.044 -7.707 6.095 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.688 -6.026 5.938 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.867 -7.765 5.822 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.512 -5.897 3.532 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.305 -6.457 2.601 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.178 -5.561 4.133 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.895 -7.317 4.104 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -12.263 -7.924 2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.981 -8.880 3.635 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.554 -8.090 3.375 1.00 0.00 H new ATOM 1249 N ASN A 82 -14.570 -4.699 6.904 1.00 0.00 N ATOM 1250 CA ASN A 82 -14.846 -3.790 8.004 1.00 0.00 C ATOM 1251 C ASN A 82 -13.525 -3.346 8.637 1.00 0.00 C ATOM 1252 O ASN A 82 -13.213 -3.728 9.763 1.00 0.00 O ATOM 1253 CB ASN A 82 -15.682 -4.475 9.087 1.00 0.00 C ATOM 1254 CG ASN A 82 -17.168 -4.151 8.919 1.00 0.00 C ATOM 1255 OD1 ASN A 82 -17.610 -3.656 7.895 1.00 0.00 O ATOM 1256 ND2 ASN A 82 -17.912 -4.456 9.978 1.00 0.00 N ATOM 0 H ASN A 82 -14.899 -4.379 5.993 1.00 0.00 H new ATOM 0 HA ASN A 82 -15.397 -2.938 7.607 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -15.533 -5.554 9.038 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -15.344 -4.151 10.071 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -18.916 -4.277 9.964 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -17.479 -4.869 10.804 1.00 0.00 H new ATOM 1263 N LEU A 83 -12.785 -2.545 7.884 1.00 0.00 N ATOM 1264 CA LEU A 83 -11.506 -2.045 8.357 1.00 0.00 C ATOM 1265 C LEU A 83 -11.718 -0.709 9.071 1.00 0.00 C ATOM 1266 O LEU A 83 -11.922 0.318 8.425 1.00 0.00 O ATOM 1267 CB LEU A 83 -10.499 -1.975 7.207 1.00 0.00 C ATOM 1268 CG LEU A 83 -10.172 -3.303 6.520 1.00 0.00 C ATOM 1269 CD1 LEU A 83 -9.861 -4.391 7.550 1.00 0.00 C ATOM 1270 CD2 LEU A 83 -11.296 -3.719 5.568 1.00 0.00 C ATOM 0 H LEU A 83 -13.047 -2.230 6.950 1.00 0.00 H new ATOM 0 HA LEU A 83 -11.075 -2.731 9.086 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.883 -1.285 6.456 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -9.571 -1.548 7.588 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.274 -3.164 5.917 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.632 -5.324 7.036 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.004 -4.088 8.151 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -10.725 -4.536 8.198 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.039 -4.666 5.093 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.224 -3.835 6.129 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -11.427 -2.953 4.804 1.00 0.00 H new ATOM 1282 N ALA A 84 -11.662 -0.765 10.393 1.00 0.00 N ATOM 1283 CA ALA A 84 -11.845 0.428 11.202 1.00 0.00 C ATOM 1284 C ALA A 84 -10.477 0.979 11.608 1.00 0.00 C ATOM 1285 O ALA A 84 -9.451 0.349 11.358 1.00 0.00 O ATOM 1286 CB ALA A 84 -12.722 0.097 12.411 1.00 0.00 C ATOM 0 H ALA A 84 -11.492 -1.619 10.925 1.00 0.00 H new ATOM 0 HA ALA A 84 -12.356 1.203 10.631 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -12.859 0.992 13.017 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -13.693 -0.261 12.069 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -12.240 -0.676 13.009 1.00 0.00 H new ATOM 1292 N HIS A 85 -10.506 2.150 12.227 1.00 0.00 N ATOM 1293 CA HIS A 85 -9.281 2.793 12.670 1.00 0.00 C ATOM 1294 C HIS A 85 -8.562 1.891 13.675 1.00 0.00 C ATOM 1295 O HIS A 85 -9.071 1.643 14.767 1.00 0.00 O ATOM 1296 CB HIS A 85 -9.570 4.189 13.227 1.00 0.00 C ATOM 1297 CG HIS A 85 -8.331 4.991 13.547 1.00 0.00 C ATOM 1298 ND1 HIS A 85 -8.154 6.297 13.124 1.00 0.00 N ATOM 1299 CD2 HIS A 85 -7.212 4.660 14.253 1.00 0.00 C ATOM 1300 CE1 HIS A 85 -6.978 6.722 13.560 1.00 0.00 C ATOM 1301 NE2 HIS A 85 -6.395 5.706 14.259 1.00 0.00 N ATOM 0 H HIS A 85 -11.359 2.670 12.432 1.00 0.00 H new ATOM 0 HA HIS A 85 -8.614 2.936 11.820 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -10.171 4.740 12.504 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -10.171 4.091 14.131 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -7.023 3.708 14.727 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -6.555 7.701 13.392 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -5.482 5.744 14.712 1.00 0.00 H new ATOM 1309 N GLY A 86 -7.390 1.424 13.270 1.00 0.00 N ATOM 1310 CA GLY A 86 -6.596 0.554 14.121 1.00 0.00 C ATOM 1311 C GLY A 86 -6.552 -0.869 13.562 1.00 0.00 C ATOM 1312 O GLY A 86 -5.641 -1.635 13.874 1.00 0.00 O ATOM 0 H GLY A 86 -6.971 1.632 12.364 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.583 0.947 14.204 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.017 0.541 15.127 1.00 0.00 H new ATOM 1316 N SER A 87 -7.547 -1.181 12.744 1.00 0.00 N ATOM 1317 CA SER A 87 -7.633 -2.498 12.138 1.00 0.00 C ATOM 1318 C SER A 87 -6.262 -2.920 11.606 1.00 0.00 C ATOM 1319 O SER A 87 -5.343 -2.106 11.532 1.00 0.00 O ATOM 1320 CB SER A 87 -8.669 -2.520 11.012 1.00 0.00 C ATOM 1321 OG SER A 87 -8.741 -3.794 10.378 1.00 0.00 O ATOM 0 H SER A 87 -8.301 -0.543 12.487 1.00 0.00 H new ATOM 0 HA SER A 87 -7.952 -3.206 12.903 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.648 -2.260 11.415 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.416 -1.761 10.272 1.00 0.00 H new ATOM 0 HG SER A 87 -9.676 -4.084 10.331 1.00 0.00 H new ATOM 1327 N MET A 88 -6.167 -4.193 11.251 1.00 0.00 N ATOM 1328 CA MET A 88 -4.923 -4.733 10.728 1.00 0.00 C ATOM 1329 C MET A 88 -5.064 -5.102 9.250 1.00 0.00 C ATOM 1330 O MET A 88 -6.125 -5.547 8.816 1.00 0.00 O ATOM 1331 CB MET A 88 -4.529 -5.976 11.529 1.00 0.00 C ATOM 1332 CG MET A 88 -3.162 -6.502 11.088 1.00 0.00 C ATOM 1333 SD MET A 88 -1.895 -5.918 12.202 1.00 0.00 S ATOM 1334 CE MET A 88 -0.507 -5.849 11.082 1.00 0.00 C ATOM 0 H MET A 88 -6.931 -4.866 11.315 1.00 0.00 H new ATOM 0 HA MET A 88 -4.150 -3.970 10.821 1.00 0.00 H new ATOM 0 HB2 MET A 88 -4.504 -5.735 12.592 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.282 -6.753 11.395 1.00 0.00 H new ATOM 0 HG2 MET A 88 -3.170 -7.592 11.073 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.946 -6.170 10.072 1.00 0.00 H new ATOM 0 HE1 MET A 88 0.402 -6.135 11.611 1.00 0.00 H new ATOM 0 HE2 MET A 88 -0.675 -6.535 10.252 1.00 0.00 H new ATOM 0 HE3 MET A 88 -0.399 -4.835 10.698 1.00 0.00 H new ATOM 1344 N VAL A 89 -3.978 -4.904 8.518 1.00 0.00 N ATOM 1345 CA VAL A 89 -3.967 -5.210 7.097 1.00 0.00 C ATOM 1346 C VAL A 89 -2.543 -5.571 6.669 1.00 0.00 C ATOM 1347 O VAL A 89 -1.574 -5.087 7.252 1.00 0.00 O ATOM 1348 CB VAL A 89 -4.551 -4.038 6.305 1.00 0.00 C ATOM 1349 CG1 VAL A 89 -4.582 -4.351 4.807 1.00 0.00 C ATOM 1350 CG2 VAL A 89 -5.944 -3.670 6.817 1.00 0.00 C ATOM 0 H VAL A 89 -3.099 -4.535 8.882 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.598 -6.073 6.887 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.901 -3.176 6.454 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.001 -3.502 4.267 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.568 -4.541 4.454 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.198 -5.233 4.632 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.336 -2.834 6.237 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -6.608 -4.528 6.712 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.882 -3.385 7.867 1.00 0.00 H new ATOM 1360 N TYR A 90 -2.462 -6.418 5.653 1.00 0.00 N ATOM 1361 CA TYR A 90 -1.173 -6.849 5.140 1.00 0.00 C ATOM 1362 C TYR A 90 -1.046 -6.540 3.647 1.00 0.00 C ATOM 1363 O TYR A 90 -1.996 -6.724 2.888 1.00 0.00 O ATOM 1364 CB TYR A 90 -1.125 -8.366 5.340 1.00 0.00 C ATOM 1365 CG TYR A 90 -1.145 -8.800 6.807 1.00 0.00 C ATOM 1366 CD1 TYR A 90 0.009 -8.735 7.561 1.00 0.00 C ATOM 1367 CD2 TYR A 90 -2.316 -9.258 7.375 1.00 0.00 C ATOM 1368 CE1 TYR A 90 -0.010 -9.144 8.942 1.00 0.00 C ATOM 1369 CE2 TYR A 90 -2.335 -9.667 8.756 1.00 0.00 C ATOM 1370 CZ TYR A 90 -1.181 -9.590 9.471 1.00 0.00 C ATOM 1371 OH TYR A 90 -1.198 -9.977 10.775 1.00 0.00 O ATOM 0 H TYR A 90 -3.268 -6.817 5.172 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.363 -6.333 5.656 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.974 -8.817 4.826 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -0.223 -8.756 4.868 1.00 0.00 H new ATOM 0 HD1 TYR A 90 0.926 -8.378 7.116 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -3.219 -9.310 6.784 1.00 0.00 H new ATOM 0 HE1 TYR A 90 0.886 -9.098 9.544 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.245 -10.027 9.213 1.00 0.00 H new ATOM 0 HH TYR A 90 -0.317 -10.327 11.024 1.00 0.00 H new ATOM 1381 N LEU A 91 0.136 -6.076 3.270 1.00 0.00 N ATOM 1382 CA LEU A 91 0.400 -5.739 1.881 1.00 0.00 C ATOM 1383 C LEU A 91 1.600 -6.548 1.384 1.00 0.00 C ATOM 1384 O LEU A 91 2.479 -6.905 2.166 1.00 0.00 O ATOM 1385 CB LEU A 91 0.568 -4.227 1.719 1.00 0.00 C ATOM 1386 CG LEU A 91 1.231 -3.761 0.421 1.00 0.00 C ATOM 1387 CD1 LEU A 91 0.271 -3.896 -0.763 1.00 0.00 C ATOM 1388 CD2 LEU A 91 1.771 -2.337 0.562 1.00 0.00 C ATOM 0 H LEU A 91 0.922 -5.925 3.902 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.450 -6.011 1.255 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.416 -3.763 1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.156 -3.855 2.558 1.00 0.00 H new ATOM 0 HG LEU A 91 2.084 -4.410 0.220 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.766 -3.558 -1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.023 -4.939 -0.876 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.615 -3.286 -0.584 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.237 -2.030 -0.374 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.951 -1.659 0.799 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.510 -2.306 1.362 1.00 0.00 H new ATOM 1400 N ALA A 92 1.597 -6.813 0.086 1.00 0.00 N ATOM 1401 CA ALA A 92 2.674 -7.573 -0.525 1.00 0.00 C ATOM 1402 C ALA A 92 2.844 -7.130 -1.980 1.00 0.00 C ATOM 1403 O ALA A 92 1.868 -7.035 -2.722 1.00 0.00 O ATOM 1404 CB ALA A 92 2.377 -9.069 -0.403 1.00 0.00 C ATOM 0 H ALA A 92 0.866 -6.515 -0.560 1.00 0.00 H new ATOM 0 HA ALA A 92 3.616 -7.384 -0.010 1.00 0.00 H new ATOM 0 HB1 ALA A 92 3.185 -9.639 -0.861 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.295 -9.339 0.650 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.439 -9.296 -0.910 1.00 0.00 H new ATOM 1410 N TYR A 93 4.091 -6.870 -2.344 1.00 0.00 N ATOM 1411 CA TYR A 93 4.402 -6.439 -3.696 1.00 0.00 C ATOM 1412 C TYR A 93 5.731 -7.031 -4.169 1.00 0.00 C ATOM 1413 O TYR A 93 6.551 -7.452 -3.355 1.00 0.00 O ATOM 1414 CB TYR A 93 4.530 -4.915 -3.634 1.00 0.00 C ATOM 1415 CG TYR A 93 5.584 -4.419 -2.642 1.00 0.00 C ATOM 1416 CD1 TYR A 93 6.900 -4.293 -3.039 1.00 0.00 C ATOM 1417 CD2 TYR A 93 5.219 -4.098 -1.350 1.00 0.00 C ATOM 1418 CE1 TYR A 93 7.892 -3.826 -2.105 1.00 0.00 C ATOM 1419 CE2 TYR A 93 6.211 -3.632 -0.417 1.00 0.00 C ATOM 1420 CZ TYR A 93 7.499 -3.519 -0.841 1.00 0.00 C ATOM 1421 OH TYR A 93 8.436 -3.078 0.041 1.00 0.00 O ATOM 0 H TYR A 93 4.898 -6.950 -1.726 1.00 0.00 H new ATOM 0 HA TYR A 93 3.628 -6.766 -4.390 1.00 0.00 H new ATOM 0 HB2 TYR A 93 4.776 -4.541 -4.628 1.00 0.00 H new ATOM 0 HB3 TYR A 93 3.563 -4.490 -3.364 1.00 0.00 H new ATOM 0 HD1 TYR A 93 7.186 -4.545 -4.050 1.00 0.00 H new ATOM 0 HD2 TYR A 93 4.189 -4.196 -1.039 1.00 0.00 H new ATOM 0 HE1 TYR A 93 8.925 -3.722 -2.403 1.00 0.00 H new ATOM 0 HE2 TYR A 93 5.939 -3.378 0.597 1.00 0.00 H new ATOM 0 HH TYR A 93 8.012 -2.896 0.905 1.00 0.00 H new ATOM 1431 N GLU A 94 5.901 -7.046 -5.483 1.00 0.00 N ATOM 1432 CA GLU A 94 7.116 -7.580 -6.074 1.00 0.00 C ATOM 1433 C GLU A 94 8.076 -6.444 -6.432 1.00 0.00 C ATOM 1434 O GLU A 94 7.660 -5.423 -6.977 1.00 0.00 O ATOM 1435 CB GLU A 94 6.798 -8.436 -7.301 1.00 0.00 C ATOM 1436 CG GLU A 94 8.056 -8.686 -8.136 1.00 0.00 C ATOM 1437 CD GLU A 94 8.185 -10.165 -8.504 1.00 0.00 C ATOM 1438 OE1 GLU A 94 8.757 -10.908 -7.677 1.00 0.00 O ATOM 1439 OE2 GLU A 94 7.709 -10.521 -9.604 1.00 0.00 O ATOM 0 H GLU A 94 5.218 -6.697 -6.155 1.00 0.00 H new ATOM 0 HA GLU A 94 7.602 -8.222 -5.340 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.372 -9.388 -6.984 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.045 -7.937 -7.911 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.020 -8.084 -9.044 1.00 0.00 H new ATOM 0 HG3 GLU A 94 8.937 -8.368 -7.577 1.00 0.00 H new ATOM 1446 N GLY A 95 9.344 -6.660 -6.111 1.00 0.00 N ATOM 1447 CA GLY A 95 10.366 -5.667 -6.392 1.00 0.00 C ATOM 1448 C GLY A 95 10.534 -4.704 -5.214 1.00 0.00 C ATOM 1449 O GLY A 95 10.731 -5.134 -4.079 1.00 0.00 O ATOM 0 H GLY A 95 9.686 -7.508 -5.659 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.314 -6.164 -6.598 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.098 -5.108 -7.288 1.00 0.00 H new ATOM 1453 N GLU A 96 10.448 -3.419 -5.526 1.00 0.00 N ATOM 1454 CA GLU A 96 10.588 -2.391 -4.508 1.00 0.00 C ATOM 1455 C GLU A 96 9.612 -1.243 -4.776 1.00 0.00 C ATOM 1456 O GLU A 96 8.795 -1.319 -5.692 1.00 0.00 O ATOM 1457 CB GLU A 96 12.028 -1.882 -4.437 1.00 0.00 C ATOM 1458 CG GLU A 96 12.438 -1.210 -5.749 1.00 0.00 C ATOM 1459 CD GLU A 96 12.988 0.195 -5.498 1.00 0.00 C ATOM 1460 OE1 GLU A 96 12.537 0.813 -4.509 1.00 0.00 O ATOM 1461 OE2 GLU A 96 13.848 0.620 -6.301 1.00 0.00 O ATOM 0 H GLU A 96 10.283 -3.066 -6.469 1.00 0.00 H new ATOM 0 HA GLU A 96 10.345 -2.830 -3.540 1.00 0.00 H new ATOM 0 HB2 GLU A 96 12.127 -1.173 -3.615 1.00 0.00 H new ATOM 0 HB3 GLU A 96 12.701 -2.713 -4.224 1.00 0.00 H new ATOM 0 HG2 GLU A 96 13.193 -1.815 -6.251 1.00 0.00 H new ATOM 0 HG3 GLU A 96 11.578 -1.154 -6.417 1.00 0.00 H new ATOM 1468 N ARG A 97 9.731 -0.206 -3.959 1.00 0.00 N ATOM 1469 CA ARG A 97 8.870 0.957 -4.097 1.00 0.00 C ATOM 1470 C ARG A 97 9.382 1.867 -5.214 1.00 0.00 C ATOM 1471 O ARG A 97 10.505 1.702 -5.689 1.00 0.00 O ATOM 1472 CB ARG A 97 8.804 1.751 -2.790 1.00 0.00 C ATOM 1473 CG ARG A 97 8.395 0.852 -1.622 1.00 0.00 C ATOM 1474 CD ARG A 97 8.019 1.685 -0.395 1.00 0.00 C ATOM 1475 NE ARG A 97 8.983 1.436 0.700 1.00 0.00 N ATOM 1476 CZ ARG A 97 9.101 2.209 1.788 1.00 0.00 C ATOM 1477 NH1 ARG A 97 8.316 3.286 1.933 1.00 0.00 N ATOM 1478 NH2 ARG A 97 10.004 1.907 2.731 1.00 0.00 N ATOM 0 H ARG A 97 10.410 -0.147 -3.200 1.00 0.00 H new ATOM 0 HA ARG A 97 7.870 0.602 -4.344 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.775 2.201 -2.584 1.00 0.00 H new ATOM 0 HB3 ARG A 97 8.090 2.568 -2.892 1.00 0.00 H new ATOM 0 HG2 ARG A 97 7.550 0.229 -1.916 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.215 0.179 -1.372 1.00 0.00 H new ATOM 0 HD2 ARG A 97 8.014 2.744 -0.652 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.011 1.431 -0.068 1.00 0.00 H new ATOM 0 HE ARG A 97 9.596 0.625 0.621 1.00 0.00 H new ATOM 0 HH11 ARG A 97 7.629 3.517 1.215 1.00 0.00 H new ATOM 0 HH12 ARG A 97 8.406 3.875 2.761 1.00 0.00 H new ATOM 0 HH21 ARG A 97 10.602 1.088 2.621 1.00 0.00 H new ATOM 0 HH22 ARG A 97 10.093 2.496 3.559 1.00 0.00 H new ATOM 1492 N THR A 98 8.534 2.809 -5.602 1.00 0.00 N ATOM 1493 CA THR A 98 8.887 3.746 -6.655 1.00 0.00 C ATOM 1494 C THR A 98 9.464 5.029 -6.055 1.00 0.00 C ATOM 1495 O THR A 98 9.760 5.083 -4.862 1.00 0.00 O ATOM 1496 CB THR A 98 7.643 3.983 -7.513 1.00 0.00 C ATOM 1497 OG1 THR A 98 6.596 4.165 -6.565 1.00 0.00 O ATOM 1498 CG2 THR A 98 7.225 2.735 -8.295 1.00 0.00 C ATOM 0 H THR A 98 7.604 2.943 -5.206 1.00 0.00 H new ATOM 0 HA THR A 98 9.671 3.343 -7.297 1.00 0.00 H new ATOM 0 HB THR A 98 7.832 4.801 -8.208 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.304 5.100 -6.576 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.337 2.957 -8.887 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.036 2.432 -8.957 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.003 1.926 -7.598 1.00 0.00 H new