USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 610 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 49 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 30 THR OG1 : rot -160:sc= 0 USER MOD Set 2.2: A 32 LYS NZ :NH3+ -161:sc= -0.759 (180deg=-1.73!) USER MOD Set 3.1: A 26 MET CE :methyl -115:sc= -1.34 (180deg=-4.01!) USER MOD Set 3.2: A 28 ASN :FLIP amide:sc= -2.13 F(o=-4.6!,f=-3.5) USER MOD Set 3.3: A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 18 HIS :FLIP no HD1:sc= -11.3! C(o=-13!,f=-12!) USER MOD Set 4.2: A 23 ASN : amide:sc= -0.171 K(o=-12,f=-13!) USER MOD Set 5.1: A 5 ASN : amide:sc= -1.34 K(o=-17,f=-19!) USER MOD Set 5.2: A 8 LYS NZ :NH3+ -175:sc= -4.59! (180deg=-0.762) USER MOD Set 5.3: A 69 GLN :FLIP amide:sc= -10.8! C(o=-18!,f=-17!) USER MOD Single : A 11 SER OG : rot 96:sc= 0.155 USER MOD Single : A 13 ASN :FLIP amide:sc= -6.24! C(o=-7.1!,f=-6.2!) USER MOD Single : A 14 CYS SG : rot 146:sc= -4.12! USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00413) USER MOD Single : A 38 GLN :FLIP amide:sc= -2.22! C(o=-4.4!,f=-2.2!) USER MOD Single : A 41 MET CE :methyl 153:sc= -4.48! (180deg=-7.62!) USER MOD Single : A 42 TYR OH : rot 84:sc= 0.735 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -6.35! C(o=-6.3!,f=-14!) USER MOD Single : A 52 GLN : amide:sc= -0.433 K(o=-0.43,f=-1.2) USER MOD Single : A 53 HIS :FLIP no HE2:sc= -7.49! C(o=-10!,f=-7.5!) USER MOD Single : A 56 ASN :FLIP amide:sc= -0.0294 F(o=-0.94,f=-0.029) USER MOD Single : A 58 MET CE :methyl 179:sc= -1.55 (180deg=-1.55) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.0178 X(o=-0.018,f=0) USER MOD Single : A 76 TYR OH : rot 180:sc= -0.0791 USER MOD Single : A 80 GLN : amide:sc= -0.9 K(o=-0.9,f=-1.8!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 31.151 9.314 -17.184 1.00 0.00 N ATOM 14 CA ASP A 2 30.152 8.927 -18.221 1.00 0.00 C ATOM 15 C ASP A 2 30.172 7.414 -18.428 1.00 0.00 C ATOM 16 O ASP A 2 29.191 6.834 -18.839 1.00 0.00 O ATOM 17 CB ASP A 2 30.480 9.612 -19.544 1.00 0.00 C ATOM 18 CG ASP A 2 30.433 11.130 -19.358 1.00 0.00 C ATOM 19 OD1 ASP A 2 31.452 11.696 -18.995 1.00 0.00 O ATOM 20 OD2 ASP A 2 29.378 11.702 -19.582 1.00 0.00 O ATOM 0 HA ASP A 2 29.163 9.238 -17.883 1.00 0.00 H new ATOM 0 HB2 ASP A 2 31.468 9.308 -19.888 1.00 0.00 H new ATOM 0 HB3 ASP A 2 29.768 9.307 -20.310 1.00 0.00 H new ATOM 25 N LEU A 3 31.274 6.766 -18.152 1.00 0.00 N ATOM 26 CA LEU A 3 31.329 5.289 -18.344 1.00 0.00 C ATOM 27 C LEU A 3 30.395 4.608 -17.344 1.00 0.00 C ATOM 28 O LEU A 3 30.183 3.413 -17.402 1.00 0.00 O ATOM 29 CB LEU A 3 32.760 4.788 -18.134 1.00 0.00 C ATOM 30 CG LEU A 3 33.728 5.666 -18.929 1.00 0.00 C ATOM 31 CD1 LEU A 3 34.802 6.221 -17.991 1.00 0.00 C ATOM 32 CD2 LEU A 3 34.389 4.829 -20.026 1.00 0.00 C ATOM 0 H LEU A 3 32.132 7.194 -17.804 1.00 0.00 H new ATOM 0 HA LEU A 3 31.013 5.048 -19.359 1.00 0.00 H new ATOM 0 HB2 LEU A 3 33.014 4.814 -17.074 1.00 0.00 H new ATOM 0 HB3 LEU A 3 32.845 3.750 -18.456 1.00 0.00 H new ATOM 0 HG LEU A 3 33.182 6.493 -19.382 1.00 0.00 H new ATOM 0 HD11 LEU A 3 35.492 6.847 -18.557 1.00 0.00 H new ATOM 0 HD12 LEU A 3 34.330 6.817 -17.210 1.00 0.00 H new ATOM 0 HD13 LEU A 3 35.350 5.396 -17.537 1.00 0.00 H new ATOM 0 HD21 LEU A 3 35.079 5.453 -20.594 1.00 0.00 H new ATOM 0 HD22 LEU A 3 34.936 4.002 -19.573 1.00 0.00 H new ATOM 0 HD23 LEU A 3 33.623 4.435 -20.694 1.00 0.00 H new ATOM 44 N ALA A 4 29.798 5.353 -16.452 1.00 0.00 N ATOM 45 CA ALA A 4 28.850 4.723 -15.509 1.00 0.00 C ATOM 46 C ALA A 4 27.788 4.066 -16.376 1.00 0.00 C ATOM 47 O ALA A 4 27.156 3.095 -16.009 1.00 0.00 O ATOM 48 CB ALA A 4 28.219 5.788 -14.608 1.00 0.00 C ATOM 0 H ALA A 4 29.928 6.359 -16.341 1.00 0.00 H new ATOM 0 HA ALA A 4 29.342 4.000 -14.859 1.00 0.00 H new ATOM 0 HB1 ALA A 4 27.522 5.314 -13.917 1.00 0.00 H new ATOM 0 HB2 ALA A 4 29.001 6.296 -14.043 1.00 0.00 H new ATOM 0 HB3 ALA A 4 27.684 6.513 -15.221 1.00 0.00 H new ATOM 54 N ASN A 5 27.631 4.598 -17.558 1.00 0.00 N ATOM 55 CA ASN A 5 26.667 4.051 -18.534 1.00 0.00 C ATOM 56 C ASN A 5 27.292 2.804 -19.157 1.00 0.00 C ATOM 57 O ASN A 5 26.630 1.823 -19.421 1.00 0.00 O ATOM 58 CB ASN A 5 26.432 5.108 -19.607 1.00 0.00 C ATOM 59 CG ASN A 5 24.981 5.593 -19.541 1.00 0.00 C ATOM 60 OD1 ASN A 5 24.302 5.377 -18.556 1.00 0.00 O ATOM 61 ND2 ASN A 5 24.474 6.244 -20.552 1.00 0.00 N ATOM 0 H ASN A 5 28.149 5.412 -17.889 1.00 0.00 H new ATOM 0 HA ASN A 5 25.719 3.792 -18.063 1.00 0.00 H new ATOM 0 HB2 ASN A 5 27.113 5.946 -19.461 1.00 0.00 H new ATOM 0 HB3 ASN A 5 26.643 4.693 -20.593 1.00 0.00 H new ATOM 0 HD21 ASN A 5 23.509 6.571 -20.515 1.00 0.00 H new ATOM 0 HD22 ASN A 5 25.043 6.426 -21.379 1.00 0.00 H new ATOM 68 N GLY A 6 28.578 2.833 -19.377 1.00 0.00 N ATOM 69 CA GLY A 6 29.253 1.644 -19.955 1.00 0.00 C ATOM 70 C GLY A 6 28.844 0.431 -19.125 1.00 0.00 C ATOM 71 O GLY A 6 28.326 -0.527 -19.639 1.00 0.00 O ATOM 0 H GLY A 6 29.186 3.628 -19.181 1.00 0.00 H new ATOM 0 HA2 GLY A 6 28.965 1.509 -20.997 1.00 0.00 H new ATOM 0 HA3 GLY A 6 30.335 1.772 -19.938 1.00 0.00 H new ATOM 75 N ALA A 7 29.072 0.483 -17.837 1.00 0.00 N ATOM 76 CA ALA A 7 28.688 -0.651 -16.941 1.00 0.00 C ATOM 77 C ALA A 7 27.178 -0.879 -17.016 1.00 0.00 C ATOM 78 O ALA A 7 26.691 -1.955 -16.753 1.00 0.00 O ATOM 79 CB ALA A 7 29.064 -0.316 -15.495 1.00 0.00 C ATOM 0 H ALA A 7 29.513 1.271 -17.363 1.00 0.00 H new ATOM 0 HA ALA A 7 29.215 -1.550 -17.262 1.00 0.00 H new ATOM 0 HB1 ALA A 7 28.783 -1.144 -14.845 1.00 0.00 H new ATOM 0 HB2 ALA A 7 30.139 -0.151 -15.428 1.00 0.00 H new ATOM 0 HB3 ALA A 7 28.538 0.586 -15.182 1.00 0.00 H new ATOM 85 N LYS A 8 26.427 0.127 -17.362 1.00 0.00 N ATOM 86 CA LYS A 8 24.956 -0.044 -17.454 1.00 0.00 C ATOM 87 C LYS A 8 24.651 -0.957 -18.644 1.00 0.00 C ATOM 88 O LYS A 8 23.675 -1.682 -18.656 1.00 0.00 O ATOM 89 CB LYS A 8 24.299 1.333 -17.641 1.00 0.00 C ATOM 90 CG LYS A 8 22.954 1.208 -18.384 1.00 0.00 C ATOM 91 CD LYS A 8 23.167 1.295 -19.905 1.00 0.00 C ATOM 92 CE LYS A 8 24.033 2.507 -20.246 1.00 0.00 C ATOM 93 NZ LYS A 8 23.348 3.334 -21.279 1.00 0.00 N ATOM 0 H LYS A 8 26.771 1.061 -17.585 1.00 0.00 H new ATOM 0 HA LYS A 8 24.560 -0.495 -16.544 1.00 0.00 H new ATOM 0 HB2 LYS A 8 24.139 1.799 -16.668 1.00 0.00 H new ATOM 0 HB3 LYS A 8 24.968 1.986 -18.201 1.00 0.00 H new ATOM 0 HG2 LYS A 8 22.479 0.260 -18.131 1.00 0.00 H new ATOM 0 HG3 LYS A 8 22.278 1.999 -18.060 1.00 0.00 H new ATOM 0 HD2 LYS A 8 23.645 0.384 -20.266 1.00 0.00 H new ATOM 0 HD3 LYS A 8 22.205 1.372 -20.411 1.00 0.00 H new ATOM 0 HE2 LYS A 8 24.214 3.101 -19.350 1.00 0.00 H new ATOM 0 HE3 LYS A 8 25.006 2.180 -20.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 23.974 4.111 -21.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 23.121 2.742 -22.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 22.470 3.727 -20.883 1.00 0.00 H new ATOM 107 N VAL A 9 25.483 -0.918 -19.648 1.00 0.00 N ATOM 108 CA VAL A 9 25.259 -1.771 -20.846 1.00 0.00 C ATOM 109 C VAL A 9 26.109 -3.040 -20.753 1.00 0.00 C ATOM 110 O VAL A 9 25.815 -4.036 -21.378 1.00 0.00 O ATOM 111 CB VAL A 9 25.670 -0.987 -22.091 1.00 0.00 C ATOM 112 CG1 VAL A 9 25.853 -1.937 -23.279 1.00 0.00 C ATOM 113 CG2 VAL A 9 24.587 0.030 -22.428 1.00 0.00 C ATOM 0 H VAL A 9 26.314 -0.327 -19.689 1.00 0.00 H new ATOM 0 HA VAL A 9 24.206 -2.049 -20.901 1.00 0.00 H new ATOM 0 HB VAL A 9 26.613 -0.477 -21.892 1.00 0.00 H new ATOM 0 HG11 VAL A 9 26.146 -1.366 -24.160 1.00 0.00 H new ATOM 0 HG12 VAL A 9 26.628 -2.667 -23.045 1.00 0.00 H new ATOM 0 HG13 VAL A 9 24.915 -2.455 -23.478 1.00 0.00 H new ATOM 0 HG21 VAL A 9 24.878 0.591 -23.316 1.00 0.00 H new ATOM 0 HG22 VAL A 9 23.647 -0.489 -22.618 1.00 0.00 H new ATOM 0 HG23 VAL A 9 24.460 0.717 -21.591 1.00 0.00 H new ATOM 123 N PHE A 10 27.171 -3.013 -20.002 1.00 0.00 N ATOM 124 CA PHE A 10 28.026 -4.219 -19.911 1.00 0.00 C ATOM 125 C PHE A 10 27.538 -5.118 -18.779 1.00 0.00 C ATOM 126 O PHE A 10 27.743 -6.316 -18.785 1.00 0.00 O ATOM 127 CB PHE A 10 29.478 -3.799 -19.661 1.00 0.00 C ATOM 128 CG PHE A 10 30.317 -5.037 -19.482 1.00 0.00 C ATOM 129 CD1 PHE A 10 30.201 -5.757 -18.299 1.00 0.00 C ATOM 130 CD2 PHE A 10 31.191 -5.480 -20.491 1.00 0.00 C ATOM 131 CE1 PHE A 10 30.947 -6.911 -18.108 1.00 0.00 C ATOM 132 CE2 PHE A 10 31.940 -6.642 -20.297 1.00 0.00 C ATOM 133 CZ PHE A 10 31.819 -7.360 -19.103 1.00 0.00 C ATOM 0 H PHE A 10 27.481 -2.212 -19.451 1.00 0.00 H new ATOM 0 HA PHE A 10 27.970 -4.773 -20.848 1.00 0.00 H new ATOM 0 HB2 PHE A 10 29.850 -3.209 -20.499 1.00 0.00 H new ATOM 0 HB3 PHE A 10 29.541 -3.169 -18.774 1.00 0.00 H new ATOM 0 HD1 PHE A 10 29.528 -5.417 -17.526 1.00 0.00 H new ATOM 0 HD2 PHE A 10 31.282 -4.924 -21.412 1.00 0.00 H new ATOM 0 HE1 PHE A 10 30.853 -7.465 -17.186 1.00 0.00 H new ATOM 0 HE2 PHE A 10 32.613 -6.986 -21.069 1.00 0.00 H new ATOM 0 HZ PHE A 10 32.398 -8.259 -18.951 1.00 0.00 H new ATOM 143 N SER A 11 26.900 -4.546 -17.816 1.00 0.00 N ATOM 144 CA SER A 11 26.393 -5.346 -16.667 1.00 0.00 C ATOM 145 C SER A 11 25.101 -6.069 -17.059 1.00 0.00 C ATOM 146 O SER A 11 24.447 -6.672 -16.231 1.00 0.00 O ATOM 147 CB SER A 11 26.115 -4.416 -15.486 1.00 0.00 C ATOM 148 OG SER A 11 27.343 -4.052 -14.873 1.00 0.00 O ATOM 0 H SER A 11 26.701 -3.547 -17.767 1.00 0.00 H new ATOM 0 HA SER A 11 27.144 -6.085 -16.387 1.00 0.00 H new ATOM 0 HB2 SER A 11 25.588 -3.525 -15.827 1.00 0.00 H new ATOM 0 HB3 SER A 11 25.468 -4.912 -14.763 1.00 0.00 H new ATOM 0 HG SER A 11 27.643 -3.189 -15.228 1.00 0.00 H new ATOM 154 N GLY A 12 24.720 -6.020 -18.309 1.00 0.00 N ATOM 155 CA GLY A 12 23.471 -6.710 -18.717 1.00 0.00 C ATOM 156 C GLY A 12 23.488 -7.042 -20.216 1.00 0.00 C ATOM 157 O GLY A 12 22.475 -7.396 -20.785 1.00 0.00 O ATOM 0 H GLY A 12 25.218 -5.535 -19.056 1.00 0.00 H new ATOM 0 HA2 GLY A 12 23.353 -7.627 -18.140 1.00 0.00 H new ATOM 0 HA3 GLY A 12 22.612 -6.078 -18.491 1.00 0.00 H new ATOM 161 N ASN A 13 24.618 -6.941 -20.863 1.00 0.00 N ATOM 162 CA ASN A 13 24.667 -7.264 -22.316 1.00 0.00 C ATOM 163 C ASN A 13 25.948 -8.043 -22.611 1.00 0.00 C ATOM 164 O ASN A 13 25.948 -9.009 -23.348 1.00 0.00 O ATOM 165 CB ASN A 13 24.665 -5.970 -23.134 1.00 0.00 C ATOM 166 CG ASN A 13 23.434 -5.132 -22.776 1.00 0.00 C ATOM 167 OD1 ASN A 13 23.298 -4.670 -21.562 1.00 0.00 O flip ATOM 168 ND2 ASN A 13 22.586 -4.893 -23.613 1.00 0.00 N flip ATOM 0 H ASN A 13 25.504 -6.650 -20.450 1.00 0.00 H new ATOM 0 HA ASN A 13 23.796 -7.862 -22.585 1.00 0.00 H new ATOM 0 HB2 ASN A 13 25.574 -5.402 -22.935 1.00 0.00 H new ATOM 0 HB3 ASN A 13 24.661 -6.202 -24.199 1.00 0.00 H new ATOM 0 HD21 ASN A 13 22.690 -5.253 -24.562 1.00 0.00 H new ATOM 0 HD22 ASN A 13 21.770 -4.333 -23.367 1.00 0.00 H new ATOM 175 N CYS A 14 27.041 -7.627 -22.034 1.00 0.00 N ATOM 176 CA CYS A 14 28.333 -8.332 -22.268 1.00 0.00 C ATOM 177 C CYS A 14 28.581 -9.306 -21.115 1.00 0.00 C ATOM 178 O CYS A 14 29.318 -10.260 -21.240 1.00 0.00 O ATOM 179 CB CYS A 14 29.486 -7.319 -22.315 1.00 0.00 C ATOM 180 SG CYS A 14 28.874 -5.671 -22.765 1.00 0.00 S ATOM 0 H CYS A 14 27.095 -6.824 -21.407 1.00 0.00 H new ATOM 0 HA CYS A 14 28.283 -8.867 -23.217 1.00 0.00 H new ATOM 0 HB2 CYS A 14 29.979 -7.277 -21.344 1.00 0.00 H new ATOM 0 HB3 CYS A 14 30.234 -7.645 -23.038 1.00 0.00 H new ATOM 0 HG CYS A 14 29.574 -4.765 -22.149 1.00 0.00 H new ATOM 185 N ALA A 15 27.971 -9.055 -19.993 1.00 0.00 N ATOM 186 CA ALA A 15 28.158 -9.941 -18.806 1.00 0.00 C ATOM 187 C ALA A 15 28.005 -11.414 -19.207 1.00 0.00 C ATOM 188 O ALA A 15 28.832 -12.243 -18.882 1.00 0.00 O ATOM 189 CB ALA A 15 27.105 -9.593 -17.752 1.00 0.00 C ATOM 0 H ALA A 15 27.343 -8.265 -19.843 1.00 0.00 H new ATOM 0 HA ALA A 15 29.159 -9.788 -18.403 1.00 0.00 H new ATOM 0 HB1 ALA A 15 27.235 -10.236 -16.882 1.00 0.00 H new ATOM 0 HB2 ALA A 15 27.219 -8.551 -17.454 1.00 0.00 H new ATOM 0 HB3 ALA A 15 26.109 -9.744 -18.169 1.00 0.00 H new ATOM 195 N ALA A 16 26.946 -11.747 -19.892 1.00 0.00 N ATOM 196 CA ALA A 16 26.723 -13.168 -20.295 1.00 0.00 C ATOM 197 C ALA A 16 27.839 -13.650 -21.227 1.00 0.00 C ATOM 198 O ALA A 16 28.171 -14.818 -21.253 1.00 0.00 O ATOM 199 CB ALA A 16 25.377 -13.282 -21.013 1.00 0.00 C ATOM 0 H ALA A 16 26.221 -11.095 -20.192 1.00 0.00 H new ATOM 0 HA ALA A 16 26.725 -13.790 -19.400 1.00 0.00 H new ATOM 0 HB1 ALA A 16 25.209 -14.317 -21.309 1.00 0.00 H new ATOM 0 HB2 ALA A 16 24.579 -12.963 -20.343 1.00 0.00 H new ATOM 0 HB3 ALA A 16 25.382 -12.647 -21.899 1.00 0.00 H new ATOM 205 N CYS A 17 28.415 -12.772 -22.001 1.00 0.00 N ATOM 206 CA CYS A 17 29.499 -13.201 -22.934 1.00 0.00 C ATOM 207 C CYS A 17 30.826 -12.591 -22.506 1.00 0.00 C ATOM 208 O CYS A 17 31.778 -12.561 -23.260 1.00 0.00 O ATOM 209 CB CYS A 17 29.185 -12.712 -24.329 1.00 0.00 C ATOM 210 SG CYS A 17 27.827 -13.686 -25.047 1.00 0.00 S ATOM 0 H CYS A 17 28.184 -11.779 -22.029 1.00 0.00 H new ATOM 0 HA CYS A 17 29.565 -14.289 -22.916 1.00 0.00 H new ATOM 0 HB2 CYS A 17 28.909 -11.658 -24.299 1.00 0.00 H new ATOM 0 HB3 CYS A 17 30.071 -12.792 -24.958 1.00 0.00 H new ATOM 0 HG CYS A 17 27.568 -13.252 -26.245 1.00 0.00 H new ATOM 215 N HIS A 18 30.898 -12.088 -21.315 1.00 0.00 N ATOM 216 CA HIS A 18 32.164 -11.465 -20.859 1.00 0.00 C ATOM 217 C HIS A 18 32.179 -11.429 -19.332 1.00 0.00 C ATOM 218 O HIS A 18 32.986 -12.075 -18.694 1.00 0.00 O ATOM 219 CB HIS A 18 32.250 -10.040 -21.425 1.00 0.00 C ATOM 220 CG HIS A 18 32.592 -10.101 -22.872 1.00 0.00 C ATOM 221 ND1 HIS A 18 31.829 -10.100 -24.009 1.00 0.00 N flip ATOM 222 CD2 HIS A 18 33.899 -10.186 -23.289 1.00 0.00 C flip ATOM 223 CE1 HIS A 18 32.659 -10.197 -25.121 1.00 0.00 C flip ATOM 224 NE2 HIS A 18 33.896 -10.244 -24.624 1.00 0.00 N flip ATOM 0 H HIS A 18 30.137 -12.080 -20.636 1.00 0.00 H new ATOM 0 HA HIS A 18 33.019 -12.042 -21.210 1.00 0.00 H new ATOM 0 HB2 HIS A 18 31.300 -9.524 -21.286 1.00 0.00 H new ATOM 0 HB3 HIS A 18 33.005 -9.468 -20.886 1.00 0.00 H new ATOM 0 HD2 HIS A 18 34.771 -10.203 -22.652 1.00 0.00 H new ATOM 0 HE1 HIS A 18 32.366 -10.228 -26.160 1.00 0.00 H new ATOM 0 HE2 HIS A 18 34.738 -10.316 -25.195 1.00 0.00 H new ATOM 232 N MET A 19 31.278 -10.692 -18.749 1.00 0.00 N ATOM 233 CA MET A 19 31.210 -10.610 -17.258 1.00 0.00 C ATOM 234 C MET A 19 32.590 -10.296 -16.675 1.00 0.00 C ATOM 235 O MET A 19 33.477 -11.126 -16.663 1.00 0.00 O ATOM 236 CB MET A 19 30.713 -11.936 -16.701 1.00 0.00 C ATOM 237 CG MET A 19 29.388 -11.716 -15.968 1.00 0.00 C ATOM 238 SD MET A 19 29.073 -13.110 -14.857 1.00 0.00 S ATOM 239 CE MET A 19 27.406 -12.623 -14.347 1.00 0.00 C ATOM 0 H MET A 19 30.578 -10.137 -19.242 1.00 0.00 H new ATOM 0 HA MET A 19 30.523 -9.811 -16.980 1.00 0.00 H new ATOM 0 HB2 MET A 19 30.579 -12.655 -17.509 1.00 0.00 H new ATOM 0 HB3 MET A 19 31.453 -12.357 -16.020 1.00 0.00 H new ATOM 0 HG2 MET A 19 29.424 -10.786 -15.400 1.00 0.00 H new ATOM 0 HG3 MET A 19 28.574 -11.619 -16.687 1.00 0.00 H new ATOM 0 HE1 MET A 19 27.011 -13.358 -13.646 1.00 0.00 H new ATOM 0 HE2 MET A 19 27.444 -11.646 -13.866 1.00 0.00 H new ATOM 0 HE3 MET A 19 26.758 -12.572 -15.222 1.00 0.00 H new ATOM 249 N GLY A 20 32.781 -9.103 -16.182 1.00 0.00 N ATOM 250 CA GLY A 20 34.105 -8.745 -15.600 1.00 0.00 C ATOM 251 C GLY A 20 35.205 -9.133 -16.589 1.00 0.00 C ATOM 252 O GLY A 20 36.100 -9.891 -16.273 1.00 0.00 O ATOM 0 H GLY A 20 32.080 -8.363 -16.157 1.00 0.00 H new ATOM 0 HA2 GLY A 20 34.147 -7.676 -15.390 1.00 0.00 H new ATOM 0 HA3 GLY A 20 34.252 -9.262 -14.652 1.00 0.00 H new ATOM 256 N GLY A 21 35.141 -8.619 -17.787 1.00 0.00 N ATOM 257 CA GLY A 21 36.172 -8.957 -18.802 1.00 0.00 C ATOM 258 C GLY A 21 36.409 -10.467 -18.794 1.00 0.00 C ATOM 259 O GLY A 21 37.466 -10.937 -18.426 1.00 0.00 O ATOM 0 H GLY A 21 34.415 -7.977 -18.105 1.00 0.00 H new ATOM 0 HA2 GLY A 21 35.846 -8.633 -19.790 1.00 0.00 H new ATOM 0 HA3 GLY A 21 37.101 -8.430 -18.584 1.00 0.00 H new ATOM 263 N GLY A 22 35.427 -11.231 -19.191 1.00 0.00 N ATOM 264 CA GLY A 22 35.596 -12.710 -19.199 1.00 0.00 C ATOM 265 C GLY A 22 34.847 -13.313 -20.391 1.00 0.00 C ATOM 266 O GLY A 22 33.742 -13.800 -20.258 1.00 0.00 O ATOM 0 H GLY A 22 34.518 -10.895 -19.509 1.00 0.00 H new ATOM 0 HA2 GLY A 22 36.654 -12.964 -19.257 1.00 0.00 H new ATOM 0 HA3 GLY A 22 35.218 -13.133 -18.269 1.00 0.00 H new ATOM 270 N ASN A 23 35.440 -13.290 -21.555 1.00 0.00 N ATOM 271 CA ASN A 23 34.760 -13.869 -22.748 1.00 0.00 C ATOM 272 C ASN A 23 34.331 -15.306 -22.439 1.00 0.00 C ATOM 273 O ASN A 23 34.921 -15.972 -21.611 1.00 0.00 O ATOM 274 CB ASN A 23 35.727 -13.864 -23.933 1.00 0.00 C ATOM 275 CG ASN A 23 34.940 -14.013 -25.235 1.00 0.00 C ATOM 276 OD1 ASN A 23 35.287 -14.814 -26.079 1.00 0.00 O ATOM 277 ND2 ASN A 23 33.887 -13.270 -25.436 1.00 0.00 N ATOM 0 H ASN A 23 36.364 -12.896 -21.730 1.00 0.00 H new ATOM 0 HA ASN A 23 33.881 -13.274 -22.996 1.00 0.00 H new ATOM 0 HB2 ASN A 23 36.299 -12.936 -23.945 1.00 0.00 H new ATOM 0 HB3 ASN A 23 36.444 -14.679 -23.834 1.00 0.00 H new ATOM 0 HD21 ASN A 23 33.356 -13.362 -26.302 1.00 0.00 H new ATOM 0 HD22 ASN A 23 33.595 -12.597 -24.727 1.00 0.00 H new ATOM 284 N VAL A 24 33.309 -15.791 -23.090 1.00 0.00 N ATOM 285 CA VAL A 24 32.851 -17.184 -22.818 1.00 0.00 C ATOM 286 C VAL A 24 32.741 -17.965 -24.131 1.00 0.00 C ATOM 287 O VAL A 24 32.293 -19.094 -24.154 1.00 0.00 O ATOM 288 CB VAL A 24 31.482 -17.146 -22.135 1.00 0.00 C ATOM 289 CG1 VAL A 24 31.511 -16.132 -20.991 1.00 0.00 C ATOM 290 CG2 VAL A 24 30.416 -16.734 -23.151 1.00 0.00 C ATOM 0 H VAL A 24 32.773 -15.286 -23.796 1.00 0.00 H new ATOM 0 HA VAL A 24 33.574 -17.676 -22.167 1.00 0.00 H new ATOM 0 HB VAL A 24 31.246 -18.134 -21.740 1.00 0.00 H new ATOM 0 HG11 VAL A 24 30.536 -16.105 -20.504 1.00 0.00 H new ATOM 0 HG12 VAL A 24 32.271 -16.423 -20.266 1.00 0.00 H new ATOM 0 HG13 VAL A 24 31.747 -15.144 -21.386 1.00 0.00 H new ATOM 0 HG21 VAL A 24 29.441 -16.707 -22.665 1.00 0.00 H new ATOM 0 HG22 VAL A 24 30.652 -15.746 -23.546 1.00 0.00 H new ATOM 0 HG23 VAL A 24 30.394 -17.455 -23.968 1.00 0.00 H new ATOM 300 N VAL A 25 33.145 -17.378 -25.223 1.00 0.00 N ATOM 301 CA VAL A 25 33.061 -18.097 -26.526 1.00 0.00 C ATOM 302 C VAL A 25 34.462 -18.549 -26.946 1.00 0.00 C ATOM 303 O VAL A 25 34.721 -19.724 -27.117 1.00 0.00 O ATOM 304 CB VAL A 25 32.471 -17.165 -27.590 1.00 0.00 C ATOM 305 CG1 VAL A 25 32.729 -17.742 -28.984 1.00 0.00 C ATOM 306 CG2 VAL A 25 30.963 -17.034 -27.369 1.00 0.00 C ATOM 0 H VAL A 25 33.529 -16.434 -25.270 1.00 0.00 H new ATOM 0 HA VAL A 25 32.417 -18.970 -26.422 1.00 0.00 H new ATOM 0 HB VAL A 25 32.942 -16.185 -27.512 1.00 0.00 H new ATOM 0 HG11 VAL A 25 32.308 -17.076 -29.737 1.00 0.00 H new ATOM 0 HG12 VAL A 25 33.803 -17.839 -29.145 1.00 0.00 H new ATOM 0 HG13 VAL A 25 32.260 -18.723 -29.064 1.00 0.00 H new ATOM 0 HG21 VAL A 25 30.541 -16.371 -28.125 1.00 0.00 H new ATOM 0 HG22 VAL A 25 30.497 -18.016 -27.447 1.00 0.00 H new ATOM 0 HG23 VAL A 25 30.775 -16.621 -26.378 1.00 0.00 H new ATOM 316 N MET A 26 35.369 -17.627 -27.109 1.00 0.00 N ATOM 317 CA MET A 26 36.753 -18.004 -27.512 1.00 0.00 C ATOM 318 C MET A 26 37.571 -18.340 -26.264 1.00 0.00 C ATOM 319 O MET A 26 37.051 -18.399 -25.167 1.00 0.00 O ATOM 320 CB MET A 26 37.406 -16.834 -28.250 1.00 0.00 C ATOM 321 CG MET A 26 36.829 -16.740 -29.664 1.00 0.00 C ATOM 322 SD MET A 26 38.056 -17.330 -30.857 1.00 0.00 S ATOM 323 CE MET A 26 39.326 -16.091 -30.503 1.00 0.00 C ATOM 0 H MET A 26 35.212 -16.627 -26.980 1.00 0.00 H new ATOM 0 HA MET A 26 36.717 -18.873 -28.169 1.00 0.00 H new ATOM 0 HB2 MET A 26 37.228 -15.904 -27.710 1.00 0.00 H new ATOM 0 HB3 MET A 26 38.486 -16.975 -28.295 1.00 0.00 H new ATOM 0 HG2 MET A 26 35.919 -17.336 -29.737 1.00 0.00 H new ATOM 0 HG3 MET A 26 36.554 -15.709 -29.888 1.00 0.00 H new ATOM 0 HE1 MET A 26 39.476 -15.463 -31.381 1.00 0.00 H new ATOM 0 HE2 MET A 26 39.007 -15.472 -29.664 1.00 0.00 H new ATOM 0 HE3 MET A 26 40.261 -16.591 -30.250 1.00 0.00 H new ATOM 333 N ALA A 27 38.849 -18.563 -26.420 1.00 0.00 N ATOM 334 CA ALA A 27 39.693 -18.896 -25.239 1.00 0.00 C ATOM 335 C ALA A 27 40.918 -17.977 -25.208 1.00 0.00 C ATOM 336 O ALA A 27 42.044 -18.431 -25.209 1.00 0.00 O ATOM 337 CB ALA A 27 40.150 -20.354 -25.332 1.00 0.00 C ATOM 0 H ALA A 27 39.342 -18.529 -27.312 1.00 0.00 H new ATOM 0 HA ALA A 27 39.112 -18.755 -24.328 1.00 0.00 H new ATOM 0 HB1 ALA A 27 40.768 -20.598 -24.468 1.00 0.00 H new ATOM 0 HB2 ALA A 27 39.278 -21.008 -25.351 1.00 0.00 H new ATOM 0 HB3 ALA A 27 40.730 -20.496 -26.244 1.00 0.00 H new ATOM 343 N ASN A 28 40.706 -16.687 -25.171 1.00 0.00 N ATOM 344 CA ASN A 28 41.853 -15.737 -25.131 1.00 0.00 C ATOM 345 C ASN A 28 41.352 -14.309 -25.361 1.00 0.00 C ATOM 346 O ASN A 28 41.789 -13.377 -24.714 1.00 0.00 O ATOM 347 CB ASN A 28 42.868 -16.097 -26.221 1.00 0.00 C ATOM 348 CG ASN A 28 42.143 -16.281 -27.555 1.00 0.00 C ATOM 349 OD1 ASN A 28 41.850 -15.233 -28.275 1.00 0.00 O flip ATOM 350 ND2 ASN A 28 41.842 -17.391 -27.949 1.00 0.00 N flip ATOM 0 H ASN A 28 39.784 -16.251 -25.167 1.00 0.00 H new ATOM 0 HA ASN A 28 42.331 -15.803 -24.154 1.00 0.00 H new ATOM 0 HB2 ASN A 28 43.618 -15.311 -26.308 1.00 0.00 H new ATOM 0 HB3 ASN A 28 43.396 -17.012 -25.953 1.00 0.00 H new ATOM 0 HD21 ASN A 28 42.071 -18.211 -27.387 1.00 0.00 H new ATOM 0 HD22 ASN A 28 41.361 -17.502 -28.842 1.00 0.00 H new ATOM 357 N LYS A 29 40.445 -14.125 -26.280 1.00 0.00 N ATOM 358 CA LYS A 29 39.928 -12.752 -26.551 1.00 0.00 C ATOM 359 C LYS A 29 39.043 -12.291 -25.391 1.00 0.00 C ATOM 360 O LYS A 29 37.845 -12.488 -25.395 1.00 0.00 O ATOM 361 CB LYS A 29 39.112 -12.762 -27.843 1.00 0.00 C ATOM 362 CG LYS A 29 39.410 -11.494 -28.641 1.00 0.00 C ATOM 363 CD LYS A 29 40.493 -11.790 -29.680 1.00 0.00 C ATOM 364 CE LYS A 29 39.864 -12.489 -30.887 1.00 0.00 C ATOM 365 NZ LYS A 29 40.939 -13.014 -31.774 1.00 0.00 N ATOM 0 H LYS A 29 40.039 -14.864 -26.855 1.00 0.00 H new ATOM 0 HA LYS A 29 40.768 -12.066 -26.654 1.00 0.00 H new ATOM 0 HB2 LYS A 29 39.358 -13.644 -28.435 1.00 0.00 H new ATOM 0 HB3 LYS A 29 38.048 -12.819 -27.614 1.00 0.00 H new ATOM 0 HG2 LYS A 29 38.505 -11.140 -29.134 1.00 0.00 H new ATOM 0 HG3 LYS A 29 39.740 -10.699 -27.972 1.00 0.00 H new ATOM 0 HD2 LYS A 29 40.975 -10.864 -29.993 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.268 -12.421 -29.244 1.00 0.00 H new ATOM 0 HE2 LYS A 29 39.222 -13.305 -30.554 1.00 0.00 H new ATOM 0 HE3 LYS A 29 39.233 -11.791 -31.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 40.511 -13.489 -32.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 41.534 -12.227 -32.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 41.523 -13.694 -31.246 1.00 0.00 H new ATOM 379 N THR A 30 39.626 -11.674 -24.399 1.00 0.00 N ATOM 380 CA THR A 30 38.826 -11.193 -23.240 1.00 0.00 C ATOM 381 C THR A 30 39.028 -9.684 -23.083 1.00 0.00 C ATOM 382 O THR A 30 39.866 -9.091 -23.734 1.00 0.00 O ATOM 383 CB THR A 30 39.305 -11.910 -21.976 1.00 0.00 C ATOM 384 OG1 THR A 30 39.424 -13.301 -22.242 1.00 0.00 O ATOM 385 CG2 THR A 30 38.301 -11.694 -20.843 1.00 0.00 C ATOM 0 H THR A 30 40.626 -11.482 -24.343 1.00 0.00 H new ATOM 0 HA THR A 30 37.768 -11.402 -23.401 1.00 0.00 H new ATOM 0 HB THR A 30 40.273 -11.507 -21.678 1.00 0.00 H new ATOM 0 HG1 THR A 30 39.416 -13.798 -21.397 1.00 0.00 H new ATOM 0 HG21 THR A 30 38.648 -12.207 -19.946 1.00 0.00 H new ATOM 0 HG22 THR A 30 38.208 -10.628 -20.638 1.00 0.00 H new ATOM 0 HG23 THR A 30 37.330 -12.093 -21.136 1.00 0.00 H new ATOM 393 N LEU A 31 38.266 -9.054 -22.231 1.00 0.00 N ATOM 394 CA LEU A 31 38.418 -7.583 -22.043 1.00 0.00 C ATOM 395 C LEU A 31 39.443 -7.327 -20.939 1.00 0.00 C ATOM 396 O LEU A 31 39.878 -6.217 -20.725 1.00 0.00 O ATOM 397 CB LEU A 31 37.084 -6.956 -21.628 1.00 0.00 C ATOM 398 CG LEU A 31 35.952 -7.251 -22.650 1.00 0.00 C ATOM 399 CD1 LEU A 31 36.415 -8.159 -23.793 1.00 0.00 C ATOM 400 CD2 LEU A 31 34.785 -7.913 -21.946 1.00 0.00 C ATOM 0 H LEU A 31 37.546 -9.493 -21.658 1.00 0.00 H new ATOM 0 HA LEU A 31 38.746 -7.139 -22.983 1.00 0.00 H new ATOM 0 HB2 LEU A 31 36.795 -7.337 -20.649 1.00 0.00 H new ATOM 0 HB3 LEU A 31 37.207 -5.878 -21.527 1.00 0.00 H new ATOM 0 HG LEU A 31 35.655 -6.294 -23.079 1.00 0.00 H new ATOM 0 HD11 LEU A 31 35.585 -8.333 -24.478 1.00 0.00 H new ATOM 0 HD12 LEU A 31 37.234 -7.680 -24.329 1.00 0.00 H new ATOM 0 HD13 LEU A 31 36.756 -9.111 -23.386 1.00 0.00 H new ATOM 0 HD21 LEU A 31 33.994 -8.118 -22.667 1.00 0.00 H new ATOM 0 HD22 LEU A 31 35.116 -8.848 -21.495 1.00 0.00 H new ATOM 0 HD23 LEU A 31 34.405 -7.250 -21.169 1.00 0.00 H new ATOM 412 N LYS A 32 39.806 -8.356 -20.220 1.00 0.00 N ATOM 413 CA LYS A 32 40.773 -8.200 -19.097 1.00 0.00 C ATOM 414 C LYS A 32 41.824 -7.125 -19.402 1.00 0.00 C ATOM 415 O LYS A 32 41.822 -6.065 -18.809 1.00 0.00 O ATOM 416 CB LYS A 32 41.479 -9.531 -18.841 1.00 0.00 C ATOM 417 CG LYS A 32 41.082 -10.062 -17.466 1.00 0.00 C ATOM 418 CD LYS A 32 40.216 -11.308 -17.643 1.00 0.00 C ATOM 419 CE LYS A 32 41.113 -12.516 -17.921 1.00 0.00 C ATOM 420 NZ LYS A 32 40.401 -13.473 -18.818 1.00 0.00 N ATOM 0 H LYS A 32 39.469 -9.308 -20.366 1.00 0.00 H new ATOM 0 HA LYS A 32 40.213 -7.891 -18.214 1.00 0.00 H new ATOM 0 HB2 LYS A 32 41.209 -10.252 -19.613 1.00 0.00 H new ATOM 0 HB3 LYS A 32 42.560 -9.398 -18.893 1.00 0.00 H new ATOM 0 HG2 LYS A 32 41.972 -10.302 -16.884 1.00 0.00 H new ATOM 0 HG3 LYS A 32 40.535 -9.299 -16.912 1.00 0.00 H new ATOM 0 HD2 LYS A 32 39.622 -11.481 -16.746 1.00 0.00 H new ATOM 0 HD3 LYS A 32 39.516 -11.164 -18.466 1.00 0.00 H new ATOM 0 HE2 LYS A 32 42.044 -12.191 -18.385 1.00 0.00 H new ATOM 0 HE3 LYS A 32 41.378 -13.008 -16.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 40.849 -14.409 -18.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 39.405 -13.544 -18.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 40.453 -13.133 -19.800 1.00 0.00 H new ATOM 434 N LYS A 33 42.732 -7.383 -20.304 1.00 0.00 N ATOM 435 CA LYS A 33 43.771 -6.354 -20.607 1.00 0.00 C ATOM 436 C LYS A 33 44.865 -6.953 -21.501 1.00 0.00 C ATOM 437 O LYS A 33 45.398 -6.289 -22.365 1.00 0.00 O ATOM 438 CB LYS A 33 44.377 -5.862 -19.280 1.00 0.00 C ATOM 439 CG LYS A 33 45.792 -5.312 -19.501 1.00 0.00 C ATOM 440 CD LYS A 33 45.742 -4.127 -20.466 1.00 0.00 C ATOM 441 CE LYS A 33 47.009 -4.119 -21.323 1.00 0.00 C ATOM 442 NZ LYS A 33 48.175 -3.730 -20.481 1.00 0.00 N ATOM 0 H LYS A 33 42.801 -8.249 -20.838 1.00 0.00 H new ATOM 0 HA LYS A 33 43.318 -5.517 -21.138 1.00 0.00 H new ATOM 0 HB2 LYS A 33 43.743 -5.086 -18.850 1.00 0.00 H new ATOM 0 HB3 LYS A 33 44.408 -6.682 -18.563 1.00 0.00 H new ATOM 0 HG2 LYS A 33 46.224 -5.000 -18.550 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.437 -6.093 -19.903 1.00 0.00 H new ATOM 0 HD2 LYS A 33 44.860 -4.198 -21.102 1.00 0.00 H new ATOM 0 HD3 LYS A 33 45.660 -3.193 -19.910 1.00 0.00 H new ATOM 0 HE2 LYS A 33 47.173 -5.105 -21.758 1.00 0.00 H new ATOM 0 HE3 LYS A 33 46.896 -3.420 -22.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 49.028 -3.675 -21.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 47.995 -2.803 -20.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 48.317 -4.441 -19.735 1.00 0.00 H new ATOM 456 N GLU A 34 45.221 -8.188 -21.285 1.00 0.00 N ATOM 457 CA GLU A 34 46.297 -8.808 -22.103 1.00 0.00 C ATOM 458 C GLU A 34 45.811 -9.090 -23.531 1.00 0.00 C ATOM 459 O GLU A 34 46.502 -8.817 -24.492 1.00 0.00 O ATOM 460 CB GLU A 34 46.736 -10.119 -21.448 1.00 0.00 C ATOM 461 CG GLU A 34 47.555 -9.814 -20.191 1.00 0.00 C ATOM 462 CD GLU A 34 47.681 -11.082 -19.344 1.00 0.00 C ATOM 463 OE1 GLU A 34 46.658 -11.588 -18.913 1.00 0.00 O ATOM 464 OE2 GLU A 34 48.800 -11.523 -19.138 1.00 0.00 O ATOM 0 H GLU A 34 44.812 -8.795 -20.575 1.00 0.00 H new ATOM 0 HA GLU A 34 47.136 -8.114 -22.156 1.00 0.00 H new ATOM 0 HB2 GLU A 34 45.863 -10.719 -21.189 1.00 0.00 H new ATOM 0 HB3 GLU A 34 47.330 -10.706 -22.148 1.00 0.00 H new ATOM 0 HG2 GLU A 34 48.544 -9.449 -20.468 1.00 0.00 H new ATOM 0 HG3 GLU A 34 47.074 -9.024 -19.614 1.00 0.00 H new ATOM 471 N ALA A 35 44.646 -9.660 -23.680 1.00 0.00 N ATOM 472 CA ALA A 35 44.141 -9.987 -25.042 1.00 0.00 C ATOM 473 C ALA A 35 43.746 -8.718 -25.804 1.00 0.00 C ATOM 474 O ALA A 35 44.112 -8.533 -26.946 1.00 0.00 O ATOM 475 CB ALA A 35 42.922 -10.902 -24.917 1.00 0.00 C ATOM 0 H ALA A 35 44.021 -9.914 -22.914 1.00 0.00 H new ATOM 0 HA ALA A 35 44.936 -10.486 -25.596 1.00 0.00 H new ATOM 0 HB1 ALA A 35 42.547 -11.146 -25.911 1.00 0.00 H new ATOM 0 HB2 ALA A 35 43.207 -11.819 -24.402 1.00 0.00 H new ATOM 0 HB3 ALA A 35 42.142 -10.394 -24.349 1.00 0.00 H new ATOM 481 N LEU A 36 42.990 -7.851 -25.192 1.00 0.00 N ATOM 482 CA LEU A 36 42.563 -6.607 -25.899 1.00 0.00 C ATOM 483 C LEU A 36 43.783 -5.728 -26.175 1.00 0.00 C ATOM 484 O LEU A 36 43.731 -4.808 -26.966 1.00 0.00 O ATOM 485 CB LEU A 36 41.549 -5.840 -25.046 1.00 0.00 C ATOM 486 CG LEU A 36 42.174 -5.471 -23.704 1.00 0.00 C ATOM 487 CD1 LEU A 36 41.578 -4.152 -23.213 1.00 0.00 C ATOM 488 CD2 LEU A 36 41.873 -6.565 -22.686 1.00 0.00 C ATOM 0 H LEU A 36 42.649 -7.947 -24.236 1.00 0.00 H new ATOM 0 HA LEU A 36 42.094 -6.877 -26.845 1.00 0.00 H new ATOM 0 HB2 LEU A 36 41.229 -4.938 -25.568 1.00 0.00 H new ATOM 0 HB3 LEU A 36 40.659 -6.449 -24.888 1.00 0.00 H new ATOM 0 HG LEU A 36 43.253 -5.367 -23.822 1.00 0.00 H new ATOM 0 HD11 LEU A 36 42.023 -3.886 -22.254 1.00 0.00 H new ATOM 0 HD12 LEU A 36 41.785 -3.366 -23.939 1.00 0.00 H new ATOM 0 HD13 LEU A 36 40.500 -4.262 -23.095 1.00 0.00 H new ATOM 0 HD21 LEU A 36 42.319 -6.302 -21.727 1.00 0.00 H new ATOM 0 HD22 LEU A 36 40.794 -6.666 -22.569 1.00 0.00 H new ATOM 0 HD23 LEU A 36 42.290 -7.510 -23.033 1.00 0.00 H new ATOM 500 N GLU A 37 44.885 -6.016 -25.543 1.00 0.00 N ATOM 501 CA GLU A 37 46.109 -5.220 -25.779 1.00 0.00 C ATOM 502 C GLU A 37 47.197 -6.142 -26.328 1.00 0.00 C ATOM 503 O GLU A 37 48.340 -5.760 -26.478 1.00 0.00 O ATOM 504 CB GLU A 37 46.570 -4.578 -24.474 1.00 0.00 C ATOM 505 CG GLU A 37 45.523 -3.556 -24.033 1.00 0.00 C ATOM 506 CD GLU A 37 46.106 -2.145 -24.143 1.00 0.00 C ATOM 507 OE1 GLU A 37 46.658 -1.833 -25.186 1.00 0.00 O ATOM 508 OE2 GLU A 37 45.992 -1.400 -23.183 1.00 0.00 O ATOM 0 H GLU A 37 44.986 -6.775 -24.869 1.00 0.00 H new ATOM 0 HA GLU A 37 45.904 -4.428 -26.499 1.00 0.00 H new ATOM 0 HB2 GLU A 37 46.702 -5.339 -23.705 1.00 0.00 H new ATOM 0 HB3 GLU A 37 47.536 -4.093 -24.612 1.00 0.00 H new ATOM 0 HG2 GLU A 37 44.632 -3.642 -24.655 1.00 0.00 H new ATOM 0 HG3 GLU A 37 45.216 -3.755 -23.006 1.00 0.00 H new ATOM 515 N GLN A 38 46.834 -7.355 -26.644 1.00 0.00 N ATOM 516 CA GLN A 38 47.800 -8.314 -27.200 1.00 0.00 C ATOM 517 C GLN A 38 47.829 -8.116 -28.711 1.00 0.00 C ATOM 518 O GLN A 38 48.867 -7.914 -29.309 1.00 0.00 O ATOM 519 CB GLN A 38 47.325 -9.734 -26.865 1.00 0.00 C ATOM 520 CG GLN A 38 47.928 -10.724 -27.860 1.00 0.00 C ATOM 521 CD GLN A 38 49.434 -10.484 -27.949 1.00 0.00 C ATOM 522 OE1 GLN A 38 50.051 -9.938 -26.936 1.00 0.00 O flip ATOM 523 NE2 GLN A 38 50.055 -10.796 -28.944 1.00 0.00 N flip ATOM 0 H GLN A 38 45.887 -7.718 -26.534 1.00 0.00 H new ATOM 0 HA GLN A 38 48.796 -8.163 -26.785 1.00 0.00 H new ATOM 0 HB2 GLN A 38 47.621 -9.997 -25.850 1.00 0.00 H new ATOM 0 HB3 GLN A 38 46.237 -9.783 -26.902 1.00 0.00 H new ATOM 0 HG2 GLN A 38 47.728 -11.747 -27.541 1.00 0.00 H new ATOM 0 HG3 GLN A 38 47.468 -10.600 -28.840 1.00 0.00 H new ATOM 0 HE21 GLN A 38 49.571 -11.222 -29.734 1.00 0.00 H new ATOM 0 HE22 GLN A 38 51.061 -10.632 -28.990 1.00 0.00 H new ATOM 532 N PHE A 39 46.682 -8.162 -29.324 1.00 0.00 N ATOM 533 CA PHE A 39 46.615 -7.967 -30.791 1.00 0.00 C ATOM 534 C PHE A 39 46.474 -6.478 -31.108 1.00 0.00 C ATOM 535 O PHE A 39 47.085 -5.971 -32.029 1.00 0.00 O ATOM 536 CB PHE A 39 45.435 -8.737 -31.395 1.00 0.00 C ATOM 537 CG PHE A 39 44.353 -8.991 -30.372 1.00 0.00 C ATOM 538 CD1 PHE A 39 43.559 -7.938 -29.901 1.00 0.00 C ATOM 539 CD2 PHE A 39 44.131 -10.294 -29.904 1.00 0.00 C ATOM 540 CE1 PHE A 39 42.552 -8.190 -28.966 1.00 0.00 C ATOM 541 CE2 PHE A 39 43.121 -10.543 -28.969 1.00 0.00 C ATOM 542 CZ PHE A 39 42.332 -9.490 -28.499 1.00 0.00 C ATOM 0 H PHE A 39 45.785 -8.327 -28.867 1.00 0.00 H new ATOM 0 HA PHE A 39 47.536 -8.350 -31.230 1.00 0.00 H new ATOM 0 HB2 PHE A 39 45.021 -8.172 -32.230 1.00 0.00 H new ATOM 0 HB3 PHE A 39 45.787 -9.687 -31.796 1.00 0.00 H new ATOM 0 HD1 PHE A 39 43.725 -6.933 -30.260 1.00 0.00 H new ATOM 0 HD2 PHE A 39 44.742 -11.108 -30.267 1.00 0.00 H new ATOM 0 HE1 PHE A 39 41.941 -7.377 -28.602 1.00 0.00 H new ATOM 0 HE2 PHE A 39 42.951 -11.548 -28.611 1.00 0.00 H new ATOM 0 HZ PHE A 39 41.553 -9.680 -27.776 1.00 0.00 H new ATOM 552 N GLY A 40 45.686 -5.773 -30.351 1.00 0.00 N ATOM 553 CA GLY A 40 45.523 -4.312 -30.609 1.00 0.00 C ATOM 554 C GLY A 40 44.038 -3.930 -30.657 1.00 0.00 C ATOM 555 O GLY A 40 43.616 -3.177 -31.513 1.00 0.00 O ATOM 0 H GLY A 40 45.148 -6.140 -29.566 1.00 0.00 H new ATOM 0 HA2 GLY A 40 46.025 -3.742 -29.827 1.00 0.00 H new ATOM 0 HA3 GLY A 40 46.002 -4.049 -31.552 1.00 0.00 H new ATOM 559 N MET A 41 43.244 -4.419 -29.742 1.00 0.00 N ATOM 560 CA MET A 41 41.798 -4.050 -29.746 1.00 0.00 C ATOM 561 C MET A 41 41.527 -3.058 -28.605 1.00 0.00 C ATOM 562 O MET A 41 40.399 -2.735 -28.298 1.00 0.00 O ATOM 563 CB MET A 41 40.936 -5.317 -29.603 1.00 0.00 C ATOM 564 CG MET A 41 40.499 -5.535 -28.151 1.00 0.00 C ATOM 565 SD MET A 41 38.818 -4.903 -27.930 1.00 0.00 S ATOM 566 CE MET A 41 39.088 -4.089 -26.337 1.00 0.00 C ATOM 0 H MET A 41 43.531 -5.054 -28.997 1.00 0.00 H new ATOM 0 HA MET A 41 41.536 -3.572 -30.690 1.00 0.00 H new ATOM 0 HB2 MET A 41 40.056 -5.234 -30.241 1.00 0.00 H new ATOM 0 HB3 MET A 41 41.500 -6.183 -29.949 1.00 0.00 H new ATOM 0 HG2 MET A 41 40.536 -6.596 -27.903 1.00 0.00 H new ATOM 0 HG3 MET A 41 41.183 -5.025 -27.473 1.00 0.00 H new ATOM 0 HE1 MET A 41 38.386 -3.262 -26.227 1.00 0.00 H new ATOM 0 HE2 MET A 41 38.932 -4.806 -25.531 1.00 0.00 H new ATOM 0 HE3 MET A 41 40.108 -3.708 -26.292 1.00 0.00 H new ATOM 576 N TYR A 42 42.564 -2.577 -27.976 1.00 0.00 N ATOM 577 CA TYR A 42 42.398 -1.615 -26.847 1.00 0.00 C ATOM 578 C TYR A 42 41.946 -0.232 -27.348 1.00 0.00 C ATOM 579 O TYR A 42 42.014 0.742 -26.628 1.00 0.00 O ATOM 580 CB TYR A 42 43.748 -1.474 -26.141 1.00 0.00 C ATOM 581 CG TYR A 42 43.550 -0.858 -24.775 1.00 0.00 C ATOM 582 CD1 TYR A 42 43.577 0.534 -24.623 1.00 0.00 C ATOM 583 CD2 TYR A 42 43.337 -1.677 -23.663 1.00 0.00 C ATOM 584 CE1 TYR A 42 43.389 1.103 -23.358 1.00 0.00 C ATOM 585 CE2 TYR A 42 43.150 -1.109 -22.398 1.00 0.00 C ATOM 586 CZ TYR A 42 43.175 0.282 -22.245 1.00 0.00 C ATOM 587 OH TYR A 42 42.988 0.842 -20.998 1.00 0.00 O ATOM 0 H TYR A 42 43.531 -2.812 -28.198 1.00 0.00 H new ATOM 0 HA TYR A 42 41.633 -1.993 -26.169 1.00 0.00 H new ATOM 0 HB2 TYR A 42 44.222 -2.451 -26.044 1.00 0.00 H new ATOM 0 HB3 TYR A 42 44.417 -0.853 -26.737 1.00 0.00 H new ATOM 0 HD1 TYR A 42 43.743 1.168 -25.481 1.00 0.00 H new ATOM 0 HD2 TYR A 42 43.317 -2.750 -23.780 1.00 0.00 H new ATOM 0 HE1 TYR A 42 43.409 2.176 -23.241 1.00 0.00 H new ATOM 0 HE2 TYR A 42 42.986 -1.744 -21.540 1.00 0.00 H new ATOM 0 HH TYR A 42 42.047 1.092 -20.889 1.00 0.00 H new ATOM 597 N SER A 43 41.501 -0.119 -28.571 1.00 0.00 N ATOM 598 CA SER A 43 41.082 1.216 -29.076 1.00 0.00 C ATOM 599 C SER A 43 39.558 1.308 -29.164 1.00 0.00 C ATOM 600 O SER A 43 38.894 0.404 -29.633 1.00 0.00 O ATOM 601 CB SER A 43 41.672 1.431 -30.460 1.00 0.00 C ATOM 602 OG SER A 43 42.550 2.549 -30.432 1.00 0.00 O ATOM 0 H SER A 43 41.411 -0.887 -29.236 1.00 0.00 H new ATOM 0 HA SER A 43 41.441 1.980 -28.386 1.00 0.00 H new ATOM 0 HB2 SER A 43 42.211 0.539 -30.780 1.00 0.00 H new ATOM 0 HB3 SER A 43 40.875 1.599 -31.185 1.00 0.00 H new ATOM 0 HG SER A 43 42.932 2.687 -31.324 1.00 0.00 H new ATOM 608 N GLU A 44 39.000 2.405 -28.732 1.00 0.00 N ATOM 609 CA GLU A 44 37.528 2.581 -28.811 1.00 0.00 C ATOM 610 C GLU A 44 37.049 2.110 -30.179 1.00 0.00 C ATOM 611 O GLU A 44 36.223 1.240 -30.277 1.00 0.00 O ATOM 612 CB GLU A 44 37.185 4.061 -28.631 1.00 0.00 C ATOM 613 CG GLU A 44 36.305 4.233 -27.389 1.00 0.00 C ATOM 614 CD GLU A 44 35.756 5.660 -27.347 1.00 0.00 C ATOM 615 OE1 GLU A 44 36.218 6.476 -28.127 1.00 0.00 O ATOM 616 OE2 GLU A 44 34.881 5.913 -26.533 1.00 0.00 O ATOM 0 H GLU A 44 39.507 3.191 -28.325 1.00 0.00 H new ATOM 0 HA GLU A 44 37.040 2.000 -28.028 1.00 0.00 H new ATOM 0 HB2 GLU A 44 38.098 4.647 -28.527 1.00 0.00 H new ATOM 0 HB3 GLU A 44 36.665 4.435 -29.513 1.00 0.00 H new ATOM 0 HG2 GLU A 44 35.484 3.516 -27.410 1.00 0.00 H new ATOM 0 HG3 GLU A 44 36.884 4.028 -26.489 1.00 0.00 H new ATOM 623 N ASP A 45 37.564 2.674 -31.234 1.00 0.00 N ATOM 624 CA ASP A 45 37.128 2.248 -32.590 1.00 0.00 C ATOM 625 C ASP A 45 37.225 0.724 -32.724 1.00 0.00 C ATOM 626 O ASP A 45 36.385 0.093 -33.331 1.00 0.00 O ATOM 627 CB ASP A 45 38.012 2.913 -33.633 1.00 0.00 C ATOM 628 CG ASP A 45 37.392 2.733 -35.020 1.00 0.00 C ATOM 629 OD1 ASP A 45 37.217 1.596 -35.426 1.00 0.00 O ATOM 630 OD2 ASP A 45 37.106 3.736 -35.652 1.00 0.00 O ATOM 0 H ASP A 45 38.268 3.412 -31.215 1.00 0.00 H new ATOM 0 HA ASP A 45 36.091 2.547 -32.743 1.00 0.00 H new ATOM 0 HB2 ASP A 45 38.123 3.974 -33.408 1.00 0.00 H new ATOM 0 HB3 ASP A 45 39.010 2.476 -33.610 1.00 0.00 H new ATOM 635 N ALA A 46 38.247 0.130 -32.168 1.00 0.00 N ATOM 636 CA ALA A 46 38.400 -1.353 -32.269 1.00 0.00 C ATOM 637 C ALA A 46 37.175 -2.050 -31.679 1.00 0.00 C ATOM 638 O ALA A 46 36.349 -2.589 -32.388 1.00 0.00 O ATOM 639 CB ALA A 46 39.650 -1.789 -31.501 1.00 0.00 C ATOM 0 H ALA A 46 38.983 0.607 -31.648 1.00 0.00 H new ATOM 0 HA ALA A 46 38.496 -1.629 -33.319 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.763 -2.871 -31.574 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.527 -1.303 -31.928 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.551 -1.504 -30.454 1.00 0.00 H new ATOM 645 N ILE A 47 37.060 -2.051 -30.386 1.00 0.00 N ATOM 646 CA ILE A 47 35.902 -2.718 -29.729 1.00 0.00 C ATOM 647 C ILE A 47 34.605 -2.011 -30.110 1.00 0.00 C ATOM 648 O ILE A 47 33.520 -2.503 -29.875 1.00 0.00 O ATOM 649 CB ILE A 47 36.110 -2.642 -28.230 1.00 0.00 C ATOM 650 CG1 ILE A 47 35.073 -3.484 -27.498 1.00 0.00 C ATOM 651 CG2 ILE A 47 35.973 -1.201 -27.759 1.00 0.00 C ATOM 652 CD1 ILE A 47 35.246 -3.247 -25.994 1.00 0.00 C ATOM 0 H ILE A 47 37.724 -1.615 -29.747 1.00 0.00 H new ATOM 0 HA ILE A 47 35.832 -3.757 -30.051 1.00 0.00 H new ATOM 0 HB ILE A 47 37.109 -3.020 -28.011 1.00 0.00 H new ATOM 0 HG12 ILE A 47 34.067 -3.209 -27.814 1.00 0.00 H new ATOM 0 HG13 ILE A 47 35.204 -4.540 -27.735 1.00 0.00 H new ATOM 0 HG21 ILE A 47 36.124 -1.155 -26.680 1.00 0.00 H new ATOM 0 HG22 ILE A 47 36.720 -0.583 -28.257 1.00 0.00 H new ATOM 0 HG23 ILE A 47 34.977 -0.832 -28.002 1.00 0.00 H new ATOM 0 HD11 ILE A 47 34.514 -3.840 -25.446 1.00 0.00 H new ATOM 0 HD12 ILE A 47 36.251 -3.542 -25.692 1.00 0.00 H new ATOM 0 HD13 ILE A 47 35.097 -2.190 -25.773 1.00 0.00 H new ATOM 664 N ILE A 48 34.714 -0.870 -30.714 1.00 0.00 N ATOM 665 CA ILE A 48 33.495 -0.127 -31.135 1.00 0.00 C ATOM 666 C ILE A 48 32.984 -0.772 -32.425 1.00 0.00 C ATOM 667 O ILE A 48 31.797 -0.842 -32.678 1.00 0.00 O ATOM 668 CB ILE A 48 33.852 1.351 -31.355 1.00 0.00 C ATOM 669 CG1 ILE A 48 33.842 2.083 -30.011 1.00 0.00 C ATOM 670 CG2 ILE A 48 32.832 2.013 -32.268 1.00 0.00 C ATOM 671 CD1 ILE A 48 34.466 3.470 -30.176 1.00 0.00 C ATOM 0 H ILE A 48 35.598 -0.413 -30.938 1.00 0.00 H new ATOM 0 HA ILE A 48 32.717 -0.172 -30.373 1.00 0.00 H new ATOM 0 HB ILE A 48 34.840 1.404 -31.812 1.00 0.00 H new ATOM 0 HG12 ILE A 48 32.820 2.175 -29.643 1.00 0.00 H new ATOM 0 HG13 ILE A 48 34.398 1.509 -29.269 1.00 0.00 H new ATOM 0 HG21 ILE A 48 33.099 3.060 -32.414 1.00 0.00 H new ATOM 0 HG22 ILE A 48 32.821 1.504 -33.232 1.00 0.00 H new ATOM 0 HG23 ILE A 48 31.843 1.951 -31.814 1.00 0.00 H new ATOM 0 HD11 ILE A 48 34.458 3.989 -29.218 1.00 0.00 H new ATOM 0 HD12 ILE A 48 35.494 3.367 -30.524 1.00 0.00 H new ATOM 0 HD13 ILE A 48 33.892 4.043 -30.904 1.00 0.00 H new ATOM 683 N TYR A 49 33.885 -1.292 -33.215 1.00 0.00 N ATOM 684 CA TYR A 49 33.485 -1.989 -34.466 1.00 0.00 C ATOM 685 C TYR A 49 33.327 -3.477 -34.151 1.00 0.00 C ATOM 686 O TYR A 49 32.759 -4.234 -34.911 1.00 0.00 O ATOM 687 CB TYR A 49 34.569 -1.816 -35.525 1.00 0.00 C ATOM 688 CG TYR A 49 34.212 -2.672 -36.709 1.00 0.00 C ATOM 689 CD1 TYR A 49 34.597 -4.017 -36.743 1.00 0.00 C ATOM 690 CD2 TYR A 49 33.478 -2.125 -37.766 1.00 0.00 C ATOM 691 CE1 TYR A 49 34.251 -4.813 -37.838 1.00 0.00 C ATOM 692 CE2 TYR A 49 33.130 -2.921 -38.858 1.00 0.00 C ATOM 693 CZ TYR A 49 33.517 -4.266 -38.897 1.00 0.00 C ATOM 694 OH TYR A 49 33.171 -5.052 -39.978 1.00 0.00 O ATOM 0 H TYR A 49 34.890 -1.262 -33.043 1.00 0.00 H new ATOM 0 HA TYR A 49 32.551 -1.572 -34.842 1.00 0.00 H new ATOM 0 HB2 TYR A 49 34.646 -0.770 -35.822 1.00 0.00 H new ATOM 0 HB3 TYR A 49 35.540 -2.107 -35.125 1.00 0.00 H new ATOM 0 HD1 TYR A 49 35.161 -4.439 -35.924 1.00 0.00 H new ATOM 0 HD2 TYR A 49 33.181 -1.087 -37.737 1.00 0.00 H new ATOM 0 HE1 TYR A 49 34.550 -5.850 -37.867 1.00 0.00 H new ATOM 0 HE2 TYR A 49 32.562 -2.499 -39.674 1.00 0.00 H new ATOM 0 HH TYR A 49 32.662 -4.517 -40.622 1.00 0.00 H new ATOM 704 N GLN A 50 33.827 -3.893 -33.020 1.00 0.00 N ATOM 705 CA GLN A 50 33.712 -5.320 -32.620 1.00 0.00 C ATOM 706 C GLN A 50 32.461 -5.467 -31.743 1.00 0.00 C ATOM 707 O GLN A 50 31.972 -6.553 -31.511 1.00 0.00 O ATOM 708 CB GLN A 50 35.009 -5.714 -31.879 1.00 0.00 C ATOM 709 CG GLN A 50 34.768 -6.734 -30.758 1.00 0.00 C ATOM 710 CD GLN A 50 35.116 -8.132 -31.271 1.00 0.00 C ATOM 711 OE1 GLN A 50 35.713 -8.272 -32.320 1.00 0.00 O ATOM 712 NE2 GLN A 50 34.786 -9.178 -30.565 1.00 0.00 N ATOM 0 H GLN A 50 34.315 -3.298 -32.351 1.00 0.00 H new ATOM 0 HA GLN A 50 33.601 -5.986 -33.475 1.00 0.00 H new ATOM 0 HB2 GLN A 50 35.719 -6.129 -32.595 1.00 0.00 H new ATOM 0 HB3 GLN A 50 35.467 -4.819 -31.457 1.00 0.00 H new ATOM 0 HG2 GLN A 50 35.379 -6.489 -29.889 1.00 0.00 H new ATOM 0 HG3 GLN A 50 33.727 -6.700 -30.436 1.00 0.00 H new ATOM 0 HE21 GLN A 50 34.285 -9.061 -29.684 1.00 0.00 H new ATOM 0 HE22 GLN A 50 35.029 -10.112 -30.894 1.00 0.00 H new ATOM 721 N VAL A 51 31.927 -4.367 -31.274 1.00 0.00 N ATOM 722 CA VAL A 51 30.697 -4.415 -30.430 1.00 0.00 C ATOM 723 C VAL A 51 29.466 -4.140 -31.304 1.00 0.00 C ATOM 724 O VAL A 51 28.446 -4.789 -31.192 1.00 0.00 O ATOM 725 CB VAL A 51 30.775 -3.316 -29.372 1.00 0.00 C ATOM 726 CG1 VAL A 51 29.418 -3.176 -28.677 1.00 0.00 C ATOM 727 CG2 VAL A 51 31.843 -3.668 -28.333 1.00 0.00 C ATOM 0 H VAL A 51 32.295 -3.431 -31.442 1.00 0.00 H new ATOM 0 HA VAL A 51 30.620 -5.397 -29.963 1.00 0.00 H new ATOM 0 HB VAL A 51 31.038 -2.375 -29.855 1.00 0.00 H new ATOM 0 HG11 VAL A 51 29.475 -2.392 -27.922 1.00 0.00 H new ATOM 0 HG12 VAL A 51 28.657 -2.917 -29.413 1.00 0.00 H new ATOM 0 HG13 VAL A 51 29.154 -4.120 -28.200 1.00 0.00 H new ATOM 0 HG21 VAL A 51 31.893 -2.880 -27.582 1.00 0.00 H new ATOM 0 HG22 VAL A 51 31.586 -4.612 -27.852 1.00 0.00 H new ATOM 0 HG23 VAL A 51 32.811 -3.763 -28.824 1.00 0.00 H new ATOM 737 N GLN A 52 29.562 -3.151 -32.151 1.00 0.00 N ATOM 738 CA GLN A 52 28.417 -2.771 -33.029 1.00 0.00 C ATOM 739 C GLN A 52 28.073 -3.886 -34.001 1.00 0.00 C ATOM 740 O GLN A 52 27.038 -3.866 -34.638 1.00 0.00 O ATOM 741 CB GLN A 52 28.815 -1.556 -33.838 1.00 0.00 C ATOM 742 CG GLN A 52 27.922 -0.369 -33.469 1.00 0.00 C ATOM 743 CD GLN A 52 28.665 0.938 -33.747 1.00 0.00 C ATOM 744 OE1 GLN A 52 28.608 1.862 -32.960 1.00 0.00 O ATOM 745 NE2 GLN A 52 29.363 1.055 -34.842 1.00 0.00 N ATOM 0 H GLN A 52 30.399 -2.581 -32.274 1.00 0.00 H new ATOM 0 HA GLN A 52 27.551 -2.571 -32.398 1.00 0.00 H new ATOM 0 HB2 GLN A 52 29.860 -1.309 -33.649 1.00 0.00 H new ATOM 0 HB3 GLN A 52 28.726 -1.772 -34.903 1.00 0.00 H new ATOM 0 HG2 GLN A 52 26.998 -0.403 -34.046 1.00 0.00 H new ATOM 0 HG3 GLN A 52 27.643 -0.424 -32.417 1.00 0.00 H new ATOM 0 HE21 GLN A 52 29.410 0.279 -35.502 1.00 0.00 H new ATOM 0 HE22 GLN A 52 29.862 1.923 -35.039 1.00 0.00 H new ATOM 754 N HIS A 53 28.928 -4.844 -34.147 1.00 0.00 N ATOM 755 CA HIS A 53 28.644 -5.930 -35.101 1.00 0.00 C ATOM 756 C HIS A 53 29.264 -7.194 -34.559 1.00 0.00 C ATOM 757 O HIS A 53 29.554 -8.123 -35.288 1.00 0.00 O ATOM 758 CB HIS A 53 29.284 -5.625 -36.440 1.00 0.00 C ATOM 759 CG HIS A 53 29.578 -4.152 -36.574 1.00 0.00 C ATOM 760 ND1 HIS A 53 30.308 -3.287 -35.797 1.00 0.00 N flip ATOM 761 CD2 HIS A 53 29.098 -3.395 -37.632 1.00 0.00 C flip ATOM 762 CE1 HIS A 53 30.285 -2.015 -36.361 1.00 0.00 C flip ATOM 763 NE2 HIS A 53 29.542 -2.135 -37.463 1.00 0.00 N flip ATOM 0 H HIS A 53 29.813 -4.921 -33.646 1.00 0.00 H new ATOM 0 HA HIS A 53 27.567 -6.036 -35.230 1.00 0.00 H new ATOM 0 HB2 HIS A 53 30.207 -6.195 -36.544 1.00 0.00 H new ATOM 0 HB3 HIS A 53 28.621 -5.942 -37.245 1.00 0.00 H new ATOM 0 HD1 HIS A 53 30.794 -3.539 -34.936 1.00 0.00 H new ATOM 0 HD2 HIS A 53 28.481 -3.751 -38.444 1.00 0.00 H new ATOM 0 HE1 HIS A 53 30.765 -1.123 -35.987 1.00 0.00 H new ATOM 771 N GLY A 54 29.506 -7.233 -33.286 1.00 0.00 N ATOM 772 CA GLY A 54 30.146 -8.426 -32.728 1.00 0.00 C ATOM 773 C GLY A 54 31.477 -8.584 -33.426 1.00 0.00 C ATOM 774 O GLY A 54 32.246 -7.652 -33.549 1.00 0.00 O ATOM 0 H GLY A 54 29.287 -6.493 -32.619 1.00 0.00 H new ATOM 0 HA2 GLY A 54 30.285 -8.321 -31.652 1.00 0.00 H new ATOM 0 HA3 GLY A 54 29.522 -9.306 -32.884 1.00 0.00 H new ATOM 778 N LYS A 55 31.716 -9.755 -33.891 1.00 0.00 N ATOM 779 CA LYS A 55 32.977 -10.070 -34.628 1.00 0.00 C ATOM 780 C LYS A 55 33.272 -11.559 -34.501 1.00 0.00 C ATOM 781 O LYS A 55 33.118 -12.146 -33.449 1.00 0.00 O ATOM 782 CB LYS A 55 34.143 -9.258 -34.060 1.00 0.00 C ATOM 783 CG LYS A 55 34.587 -8.158 -35.053 1.00 0.00 C ATOM 784 CD LYS A 55 33.425 -7.677 -35.942 1.00 0.00 C ATOM 785 CE LYS A 55 33.599 -8.240 -37.354 1.00 0.00 C ATOM 786 NZ LYS A 55 32.325 -8.078 -38.112 1.00 0.00 N ATOM 0 H LYS A 55 31.077 -10.545 -33.796 1.00 0.00 H new ATOM 0 HA LYS A 55 32.853 -9.808 -35.679 1.00 0.00 H new ATOM 0 HB2 LYS A 55 33.847 -8.802 -33.115 1.00 0.00 H new ATOM 0 HB3 LYS A 55 34.982 -9.920 -33.846 1.00 0.00 H new ATOM 0 HG2 LYS A 55 34.993 -7.312 -34.498 1.00 0.00 H new ATOM 0 HG3 LYS A 55 35.390 -8.541 -35.683 1.00 0.00 H new ATOM 0 HD2 LYS A 55 32.473 -8.003 -35.523 1.00 0.00 H new ATOM 0 HD3 LYS A 55 33.403 -6.588 -35.973 1.00 0.00 H new ATOM 0 HE2 LYS A 55 34.409 -7.721 -37.867 1.00 0.00 H new ATOM 0 HE3 LYS A 55 33.875 -9.293 -37.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 32.441 -8.460 -39.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 31.563 -8.592 -37.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 32.081 -7.069 -38.168 1.00 0.00 H new ATOM 800 N ASN A 56 33.677 -12.179 -35.574 1.00 0.00 N ATOM 801 CA ASN A 56 33.960 -13.635 -35.528 1.00 0.00 C ATOM 802 C ASN A 56 32.688 -14.357 -35.078 1.00 0.00 C ATOM 803 O ASN A 56 31.857 -14.733 -35.881 1.00 0.00 O ATOM 804 CB ASN A 56 35.088 -13.911 -34.534 1.00 0.00 C ATOM 805 CG ASN A 56 36.415 -13.433 -35.125 1.00 0.00 C ATOM 806 OD1 ASN A 56 36.565 -12.171 -35.423 1.00 0.00 O flip ATOM 807 ND2 ASN A 56 37.324 -14.214 -35.319 1.00 0.00 N flip ATOM 0 H ASN A 56 33.824 -11.737 -36.481 1.00 0.00 H new ATOM 0 HA ASN A 56 34.266 -13.989 -36.512 1.00 0.00 H new ATOM 0 HB2 ASN A 56 34.891 -13.398 -33.592 1.00 0.00 H new ATOM 0 HB3 ASN A 56 35.139 -14.977 -34.312 1.00 0.00 H new ATOM 0 HD21 ASN A 56 37.207 -15.200 -35.086 1.00 0.00 H new ATOM 0 HD22 ASN A 56 38.204 -13.884 -35.715 1.00 0.00 H new ATOM 814 N ALA A 57 32.522 -14.529 -33.796 1.00 0.00 N ATOM 815 CA ALA A 57 31.297 -15.199 -33.281 1.00 0.00 C ATOM 816 C ALA A 57 30.705 -14.338 -32.163 1.00 0.00 C ATOM 817 O ALA A 57 30.276 -14.835 -31.142 1.00 0.00 O ATOM 818 CB ALA A 57 31.657 -16.580 -32.730 1.00 0.00 C ATOM 0 H ALA A 57 33.186 -14.233 -33.080 1.00 0.00 H new ATOM 0 HA ALA A 57 30.571 -15.318 -34.086 1.00 0.00 H new ATOM 0 HB1 ALA A 57 30.758 -17.067 -32.354 1.00 0.00 H new ATOM 0 HB2 ALA A 57 32.093 -17.186 -33.524 1.00 0.00 H new ATOM 0 HB3 ALA A 57 32.377 -16.472 -31.919 1.00 0.00 H new ATOM 824 N MET A 58 30.692 -13.044 -32.348 1.00 0.00 N ATOM 825 CA MET A 58 30.143 -12.141 -31.297 1.00 0.00 C ATOM 826 C MET A 58 28.869 -11.454 -31.826 1.00 0.00 C ATOM 827 O MET A 58 28.766 -11.163 -32.999 1.00 0.00 O ATOM 828 CB MET A 58 31.218 -11.113 -30.926 1.00 0.00 C ATOM 829 CG MET A 58 30.637 -10.011 -30.041 1.00 0.00 C ATOM 830 SD MET A 58 31.861 -8.697 -29.825 1.00 0.00 S ATOM 831 CE MET A 58 30.840 -7.610 -28.802 1.00 0.00 C ATOM 0 H MET A 58 31.039 -12.574 -33.184 1.00 0.00 H new ATOM 0 HA MET A 58 29.874 -12.706 -30.404 1.00 0.00 H new ATOM 0 HB2 MET A 58 32.037 -11.609 -30.405 1.00 0.00 H new ATOM 0 HB3 MET A 58 31.636 -10.675 -31.832 1.00 0.00 H new ATOM 0 HG2 MET A 58 29.731 -9.607 -30.493 1.00 0.00 H new ATOM 0 HG3 MET A 58 30.354 -10.421 -29.072 1.00 0.00 H new ATOM 0 HE1 MET A 58 31.413 -6.723 -28.529 1.00 0.00 H new ATOM 0 HE2 MET A 58 29.953 -7.311 -29.361 1.00 0.00 H new ATOM 0 HE3 MET A 58 30.538 -8.139 -27.898 1.00 0.00 H new ATOM 841 N PRO A 59 27.920 -11.261 -30.939 1.00 0.00 N ATOM 842 CA PRO A 59 26.609 -10.652 -31.268 1.00 0.00 C ATOM 843 C PRO A 59 26.633 -9.117 -31.430 1.00 0.00 C ATOM 844 O PRO A 59 26.714 -8.378 -30.470 1.00 0.00 O ATOM 845 CB PRO A 59 25.738 -11.044 -30.069 1.00 0.00 C ATOM 846 CG PRO A 59 26.693 -11.353 -28.903 1.00 0.00 C ATOM 847 CD PRO A 59 28.059 -11.656 -29.521 1.00 0.00 C ATOM 0 HA PRO A 59 26.252 -11.005 -32.236 1.00 0.00 H new ATOM 0 HB2 PRO A 59 25.057 -10.235 -29.806 1.00 0.00 H new ATOM 0 HB3 PRO A 59 25.124 -11.913 -30.306 1.00 0.00 H new ATOM 0 HG2 PRO A 59 26.757 -10.506 -28.220 1.00 0.00 H new ATOM 0 HG3 PRO A 59 26.333 -12.203 -28.323 1.00 0.00 H new ATOM 0 HD2 PRO A 59 28.851 -11.093 -29.028 1.00 0.00 H new ATOM 0 HD3 PRO A 59 28.312 -12.712 -29.426 1.00 0.00 H new ATOM 855 N ALA A 60 26.510 -8.645 -32.653 1.00 0.00 N ATOM 856 CA ALA A 60 26.464 -7.175 -32.923 1.00 0.00 C ATOM 857 C ALA A 60 25.623 -6.451 -31.874 1.00 0.00 C ATOM 858 O ALA A 60 24.787 -7.040 -31.223 1.00 0.00 O ATOM 859 CB ALA A 60 25.802 -6.966 -34.284 1.00 0.00 C ATOM 0 H ALA A 60 26.439 -9.230 -33.486 1.00 0.00 H new ATOM 0 HA ALA A 60 27.479 -6.779 -32.898 1.00 0.00 H new ATOM 0 HB1 ALA A 60 25.756 -5.900 -34.506 1.00 0.00 H new ATOM 0 HB2 ALA A 60 26.385 -7.472 -35.054 1.00 0.00 H new ATOM 0 HB3 ALA A 60 24.793 -7.377 -34.265 1.00 0.00 H new ATOM 865 N PHE A 61 25.823 -5.160 -31.738 1.00 0.00 N ATOM 866 CA PHE A 61 25.036 -4.373 -30.764 1.00 0.00 C ATOM 867 C PHE A 61 24.688 -3.012 -31.350 1.00 0.00 C ATOM 868 O PHE A 61 24.283 -2.108 -30.647 1.00 0.00 O ATOM 869 CB PHE A 61 25.828 -4.191 -29.477 1.00 0.00 C ATOM 870 CG PHE A 61 25.830 -5.482 -28.701 1.00 0.00 C ATOM 871 CD1 PHE A 61 24.754 -6.376 -28.799 1.00 0.00 C ATOM 872 CD2 PHE A 61 26.909 -5.780 -27.871 1.00 0.00 C ATOM 873 CE1 PHE A 61 24.762 -7.563 -28.066 1.00 0.00 C ATOM 874 CE2 PHE A 61 26.918 -6.968 -27.142 1.00 0.00 C ATOM 875 CZ PHE A 61 25.846 -7.859 -27.239 1.00 0.00 C ATOM 0 H PHE A 61 26.507 -4.623 -32.271 1.00 0.00 H new ATOM 0 HA PHE A 61 24.115 -4.912 -30.543 1.00 0.00 H new ATOM 0 HB2 PHE A 61 26.850 -3.891 -29.706 1.00 0.00 H new ATOM 0 HB3 PHE A 61 25.389 -3.394 -28.877 1.00 0.00 H new ATOM 0 HD1 PHE A 61 23.918 -6.145 -29.443 1.00 0.00 H new ATOM 0 HD2 PHE A 61 27.737 -5.091 -27.793 1.00 0.00 H new ATOM 0 HE1 PHE A 61 23.932 -8.250 -28.138 1.00 0.00 H new ATOM 0 HE2 PHE A 61 27.755 -7.200 -26.501 1.00 0.00 H new ATOM 0 HZ PHE A 61 25.857 -8.779 -26.673 1.00 0.00 H new ATOM 885 N ALA A 62 24.813 -2.864 -32.635 1.00 0.00 N ATOM 886 CA ALA A 62 24.456 -1.576 -33.266 1.00 0.00 C ATOM 887 C ALA A 62 22.944 -1.351 -33.129 1.00 0.00 C ATOM 888 O ALA A 62 22.423 -0.330 -33.530 1.00 0.00 O ATOM 889 CB ALA A 62 24.838 -1.609 -34.747 1.00 0.00 C ATOM 0 H ALA A 62 25.148 -3.584 -33.275 1.00 0.00 H new ATOM 0 HA ALA A 62 24.993 -0.765 -32.775 1.00 0.00 H new ATOM 0 HB1 ALA A 62 24.575 -0.659 -35.212 1.00 0.00 H new ATOM 0 HB2 ALA A 62 25.911 -1.774 -34.842 1.00 0.00 H new ATOM 0 HB3 ALA A 62 24.301 -2.417 -35.243 1.00 0.00 H new ATOM 895 N GLY A 63 22.230 -2.300 -32.567 1.00 0.00 N ATOM 896 CA GLY A 63 20.767 -2.142 -32.411 1.00 0.00 C ATOM 897 C GLY A 63 20.337 -2.899 -31.168 1.00 0.00 C ATOM 898 O GLY A 63 19.183 -3.237 -30.993 1.00 0.00 O ATOM 0 H GLY A 63 22.610 -3.177 -32.211 1.00 0.00 H new ATOM 0 HA2 GLY A 63 20.506 -1.087 -32.323 1.00 0.00 H new ATOM 0 HA3 GLY A 63 20.248 -2.527 -33.289 1.00 0.00 H new ATOM 902 N ARG A 64 21.271 -3.204 -30.320 1.00 0.00 N ATOM 903 CA ARG A 64 20.950 -3.974 -29.113 1.00 0.00 C ATOM 904 C ARG A 64 21.046 -3.035 -27.936 1.00 0.00 C ATOM 905 O ARG A 64 20.104 -2.819 -27.199 1.00 0.00 O ATOM 906 CB ARG A 64 21.989 -5.079 -28.971 1.00 0.00 C ATOM 907 CG ARG A 64 21.321 -6.365 -28.490 1.00 0.00 C ATOM 908 CD ARG A 64 20.434 -6.044 -27.294 1.00 0.00 C ATOM 909 NE ARG A 64 19.356 -7.065 -27.183 1.00 0.00 N ATOM 910 CZ ARG A 64 18.977 -7.487 -26.008 1.00 0.00 C ATOM 911 NH1 ARG A 64 19.811 -8.146 -25.252 1.00 0.00 N ATOM 912 NH2 ARG A 64 17.765 -7.247 -25.587 1.00 0.00 N ATOM 0 H ARG A 64 22.253 -2.946 -30.420 1.00 0.00 H new ATOM 0 HA ARG A 64 19.952 -4.410 -29.165 1.00 0.00 H new ATOM 0 HB2 ARG A 64 22.482 -5.251 -29.928 1.00 0.00 H new ATOM 0 HB3 ARG A 64 22.762 -4.775 -28.265 1.00 0.00 H new ATOM 0 HG2 ARG A 64 20.728 -6.804 -29.292 1.00 0.00 H new ATOM 0 HG3 ARG A 64 22.076 -7.101 -28.213 1.00 0.00 H new ATOM 0 HD2 ARG A 64 21.029 -6.028 -26.381 1.00 0.00 H new ATOM 0 HD3 ARG A 64 19.998 -5.051 -27.408 1.00 0.00 H new ATOM 0 HE ARG A 64 18.914 -7.434 -28.025 1.00 0.00 H new ATOM 0 HH11 ARG A 64 20.759 -8.331 -25.579 1.00 0.00 H new ATOM 0 HH12 ARG A 64 19.515 -8.476 -24.333 1.00 0.00 H new ATOM 0 HH21 ARG A 64 17.113 -6.729 -26.177 1.00 0.00 H new ATOM 0 HH22 ARG A 64 17.469 -7.577 -24.668 1.00 0.00 H new ATOM 926 N LEU A 65 22.193 -2.450 -27.784 1.00 0.00 N ATOM 927 CA LEU A 65 22.393 -1.485 -26.688 1.00 0.00 C ATOM 928 C LEU A 65 21.656 -0.199 -27.039 1.00 0.00 C ATOM 929 O LEU A 65 20.639 -0.205 -27.704 1.00 0.00 O ATOM 930 CB LEU A 65 23.890 -1.211 -26.533 1.00 0.00 C ATOM 931 CG LEU A 65 24.636 -2.544 -26.462 1.00 0.00 C ATOM 932 CD1 LEU A 65 26.144 -2.287 -26.448 1.00 0.00 C ATOM 933 CD2 LEU A 65 24.233 -3.284 -25.186 1.00 0.00 C ATOM 0 H LEU A 65 23.007 -2.603 -28.380 1.00 0.00 H new ATOM 0 HA LEU A 65 22.007 -1.882 -25.749 1.00 0.00 H new ATOM 0 HB2 LEU A 65 24.254 -0.621 -27.374 1.00 0.00 H new ATOM 0 HB3 LEU A 65 24.074 -0.628 -25.631 1.00 0.00 H new ATOM 0 HG LEU A 65 24.380 -3.150 -27.331 1.00 0.00 H new ATOM 0 HD11 LEU A 65 26.675 -3.238 -26.397 1.00 0.00 H new ATOM 0 HD12 LEU A 65 26.432 -1.759 -27.357 1.00 0.00 H new ATOM 0 HD13 LEU A 65 26.402 -1.681 -25.579 1.00 0.00 H new ATOM 0 HD21 LEU A 65 24.764 -4.235 -25.134 1.00 0.00 H new ATOM 0 HD22 LEU A 65 24.489 -2.677 -24.317 1.00 0.00 H new ATOM 0 HD23 LEU A 65 23.159 -3.468 -25.196 1.00 0.00 H new ATOM 945 N THR A 66 22.166 0.892 -26.589 1.00 0.00 N ATOM 946 CA THR A 66 21.520 2.207 -26.871 1.00 0.00 C ATOM 947 C THR A 66 22.257 2.881 -28.031 1.00 0.00 C ATOM 948 O THR A 66 21.696 3.152 -29.074 1.00 0.00 O ATOM 949 CB THR A 66 21.596 3.098 -25.613 1.00 0.00 C ATOM 950 OG1 THR A 66 20.526 2.761 -24.740 1.00 0.00 O ATOM 951 CG2 THR A 66 21.482 4.576 -26.002 1.00 0.00 C ATOM 0 H THR A 66 23.016 0.943 -26.028 1.00 0.00 H new ATOM 0 HA THR A 66 20.474 2.059 -27.138 1.00 0.00 H new ATOM 0 HB THR A 66 22.553 2.934 -25.117 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.569 3.322 -23.938 1.00 0.00 H new ATOM 0 HG21 THR A 66 21.537 5.193 -25.105 1.00 0.00 H new ATOM 0 HG22 THR A 66 22.298 4.839 -26.675 1.00 0.00 H new ATOM 0 HG23 THR A 66 20.529 4.748 -26.503 1.00 0.00 H new ATOM 959 N ASP A 67 23.511 3.152 -27.830 1.00 0.00 N ATOM 960 CA ASP A 67 24.344 3.816 -28.870 1.00 0.00 C ATOM 961 C ASP A 67 25.495 4.482 -28.132 1.00 0.00 C ATOM 962 O ASP A 67 26.656 4.247 -28.409 1.00 0.00 O ATOM 963 CB ASP A 67 23.521 4.868 -29.620 1.00 0.00 C ATOM 964 CG ASP A 67 24.460 5.795 -30.398 1.00 0.00 C ATOM 965 OD1 ASP A 67 25.168 5.298 -31.258 1.00 0.00 O ATOM 966 OD2 ASP A 67 24.451 6.982 -30.121 1.00 0.00 O ATOM 0 H ASP A 67 24.009 2.936 -26.966 1.00 0.00 H new ATOM 0 HA ASP A 67 24.704 3.097 -29.606 1.00 0.00 H new ATOM 0 HB2 ASP A 67 22.826 4.381 -30.304 1.00 0.00 H new ATOM 0 HB3 ASP A 67 22.923 5.447 -28.916 1.00 0.00 H new ATOM 971 N GLU A 68 25.163 5.260 -27.135 1.00 0.00 N ATOM 972 CA GLU A 68 26.200 5.918 -26.294 1.00 0.00 C ATOM 973 C GLU A 68 26.882 4.851 -25.427 1.00 0.00 C ATOM 974 O GLU A 68 27.720 5.144 -24.600 1.00 0.00 O ATOM 975 CB GLU A 68 25.516 6.939 -25.388 1.00 0.00 C ATOM 976 CG GLU A 68 26.490 7.397 -24.299 1.00 0.00 C ATOM 977 CD GLU A 68 27.834 7.760 -24.932 1.00 0.00 C ATOM 978 OE1 GLU A 68 27.828 8.483 -25.915 1.00 0.00 O ATOM 979 OE2 GLU A 68 28.848 7.310 -24.423 1.00 0.00 O ATOM 0 H GLU A 68 24.202 5.469 -26.866 1.00 0.00 H new ATOM 0 HA GLU A 68 26.941 6.414 -26.922 1.00 0.00 H new ATOM 0 HB2 GLU A 68 25.183 7.795 -25.975 1.00 0.00 H new ATOM 0 HB3 GLU A 68 24.628 6.499 -24.934 1.00 0.00 H new ATOM 0 HG2 GLU A 68 26.081 8.258 -23.770 1.00 0.00 H new ATOM 0 HG3 GLU A 68 26.626 6.605 -23.562 1.00 0.00 H new ATOM 986 N GLN A 69 26.520 3.614 -25.623 1.00 0.00 N ATOM 987 CA GLN A 69 27.115 2.502 -24.849 1.00 0.00 C ATOM 988 C GLN A 69 27.940 1.677 -25.821 1.00 0.00 C ATOM 989 O GLN A 69 29.007 1.203 -25.503 1.00 0.00 O ATOM 990 CB GLN A 69 26.024 1.658 -24.210 1.00 0.00 C ATOM 991 CG GLN A 69 24.721 2.460 -24.151 1.00 0.00 C ATOM 992 CD GLN A 69 24.967 3.833 -23.497 1.00 0.00 C ATOM 993 OE1 GLN A 69 26.025 4.042 -22.745 1.00 0.00 O flip ATOM 994 NE2 GLN A 69 24.178 4.740 -23.677 1.00 0.00 N flip ATOM 0 H GLN A 69 25.819 3.326 -26.305 1.00 0.00 H new ATOM 0 HA GLN A 69 27.742 2.879 -24.041 1.00 0.00 H new ATOM 0 HB2 GLN A 69 25.874 0.744 -24.784 1.00 0.00 H new ATOM 0 HB3 GLN A 69 26.324 1.358 -23.206 1.00 0.00 H new ATOM 0 HG2 GLN A 69 24.323 2.595 -25.157 1.00 0.00 H new ATOM 0 HG3 GLN A 69 23.972 1.908 -23.583 1.00 0.00 H new ATOM 0 HE21 GLN A 69 23.353 4.591 -24.258 1.00 0.00 H new ATOM 0 HE22 GLN A 69 24.341 5.650 -23.247 1.00 0.00 H new ATOM 1003 N ILE A 70 27.528 1.580 -27.054 1.00 0.00 N ATOM 1004 CA ILE A 70 28.416 0.879 -28.007 1.00 0.00 C ATOM 1005 C ILE A 70 29.719 1.677 -27.945 1.00 0.00 C ATOM 1006 O ILE A 70 30.802 1.194 -28.209 1.00 0.00 O ATOM 1007 CB ILE A 70 27.834 0.922 -29.418 1.00 0.00 C ATOM 1008 CG1 ILE A 70 26.417 0.343 -29.400 1.00 0.00 C ATOM 1009 CG2 ILE A 70 28.717 0.091 -30.349 1.00 0.00 C ATOM 1010 CD1 ILE A 70 26.476 -1.144 -29.042 1.00 0.00 C ATOM 0 H ILE A 70 26.650 1.941 -27.428 1.00 0.00 H new ATOM 0 HA ILE A 70 28.549 -0.174 -27.761 1.00 0.00 H new ATOM 0 HB ILE A 70 27.798 1.952 -29.772 1.00 0.00 H new ATOM 0 HG12 ILE A 70 25.804 0.878 -28.675 1.00 0.00 H new ATOM 0 HG13 ILE A 70 25.947 0.475 -30.374 1.00 0.00 H new ATOM 0 HG21 ILE A 70 28.307 0.117 -31.359 1.00 0.00 H new ATOM 0 HG22 ILE A 70 29.726 0.502 -30.356 1.00 0.00 H new ATOM 0 HG23 ILE A 70 28.748 -0.940 -29.997 1.00 0.00 H new ATOM 0 HD11 ILE A 70 25.467 -1.556 -29.029 1.00 0.00 H new ATOM 0 HD12 ILE A 70 27.074 -1.673 -29.783 1.00 0.00 H new ATOM 0 HD13 ILE A 70 26.929 -1.264 -28.058 1.00 0.00 H new ATOM 1022 N GLN A 71 29.570 2.919 -27.547 1.00 0.00 N ATOM 1023 CA GLN A 71 30.692 3.847 -27.381 1.00 0.00 C ATOM 1024 C GLN A 71 31.189 3.763 -25.936 1.00 0.00 C ATOM 1025 O GLN A 71 32.223 3.210 -25.648 1.00 0.00 O ATOM 1026 CB GLN A 71 30.144 5.248 -27.619 1.00 0.00 C ATOM 1027 CG GLN A 71 29.777 5.410 -29.094 1.00 0.00 C ATOM 1028 CD GLN A 71 30.707 6.436 -29.738 1.00 0.00 C ATOM 1029 OE1 GLN A 71 31.474 6.110 -30.623 1.00 0.00 O ATOM 1030 NE2 GLN A 71 30.672 7.673 -29.329 1.00 0.00 N ATOM 0 H GLN A 71 28.663 3.329 -27.324 1.00 0.00 H new ATOM 0 HA GLN A 71 31.506 3.611 -28.067 1.00 0.00 H new ATOM 0 HB2 GLN A 71 29.267 5.417 -26.995 1.00 0.00 H new ATOM 0 HB3 GLN A 71 30.887 5.993 -27.334 1.00 0.00 H new ATOM 0 HG2 GLN A 71 29.861 4.453 -29.608 1.00 0.00 H new ATOM 0 HG3 GLN A 71 28.740 5.732 -29.189 1.00 0.00 H new ATOM 0 HE21 GLN A 71 30.028 7.947 -28.586 1.00 0.00 H new ATOM 0 HE22 GLN A 71 31.288 8.367 -29.751 1.00 0.00 H new ATOM 1039 N ASP A 72 30.424 4.318 -25.037 1.00 0.00 N ATOM 1040 CA ASP A 72 30.770 4.311 -23.593 1.00 0.00 C ATOM 1041 C ASP A 72 31.248 2.920 -23.195 1.00 0.00 C ATOM 1042 O ASP A 72 32.307 2.764 -22.642 1.00 0.00 O ATOM 1043 CB ASP A 72 29.512 4.681 -22.801 1.00 0.00 C ATOM 1044 CG ASP A 72 29.769 4.559 -21.296 1.00 0.00 C ATOM 1045 OD1 ASP A 72 30.563 3.720 -20.908 1.00 0.00 O ATOM 1046 OD2 ASP A 72 29.158 5.308 -20.557 1.00 0.00 O ATOM 0 H ASP A 72 29.546 4.790 -25.254 1.00 0.00 H new ATOM 0 HA ASP A 72 31.565 5.027 -23.384 1.00 0.00 H new ATOM 0 HB2 ASP A 72 29.210 5.700 -23.043 1.00 0.00 H new ATOM 0 HB3 ASP A 72 28.689 4.028 -23.089 1.00 0.00 H new ATOM 1051 N VAL A 73 30.463 1.921 -23.475 1.00 0.00 N ATOM 1052 CA VAL A 73 30.853 0.525 -23.132 1.00 0.00 C ATOM 1053 C VAL A 73 32.201 0.235 -23.782 1.00 0.00 C ATOM 1054 O VAL A 73 33.071 -0.387 -23.218 1.00 0.00 O ATOM 1055 CB VAL A 73 29.822 -0.450 -23.678 1.00 0.00 C ATOM 1056 CG1 VAL A 73 30.068 -1.827 -23.076 1.00 0.00 C ATOM 1057 CG2 VAL A 73 28.436 0.026 -23.289 1.00 0.00 C ATOM 0 H VAL A 73 29.556 2.012 -23.933 1.00 0.00 H new ATOM 0 HA VAL A 73 30.912 0.412 -22.049 1.00 0.00 H new ATOM 0 HB VAL A 73 29.902 -0.505 -24.764 1.00 0.00 H new ATOM 0 HG11 VAL A 73 29.331 -2.531 -23.464 1.00 0.00 H new ATOM 0 HG12 VAL A 73 31.069 -2.167 -23.341 1.00 0.00 H new ATOM 0 HG13 VAL A 73 29.980 -1.771 -21.991 1.00 0.00 H new ATOM 0 HG21 VAL A 73 27.691 -0.668 -23.677 1.00 0.00 H new ATOM 0 HG22 VAL A 73 28.359 0.072 -22.203 1.00 0.00 H new ATOM 0 HG23 VAL A 73 28.261 1.017 -23.707 1.00 0.00 H new ATOM 1067 N ALA A 74 32.393 0.698 -24.969 1.00 0.00 N ATOM 1068 CA ALA A 74 33.709 0.465 -25.622 1.00 0.00 C ATOM 1069 C ALA A 74 34.777 1.023 -24.677 1.00 0.00 C ATOM 1070 O ALA A 74 35.638 0.313 -24.184 1.00 0.00 O ATOM 1071 CB ALA A 74 33.766 1.197 -26.964 1.00 0.00 C ATOM 0 H ALA A 74 31.711 1.222 -25.517 1.00 0.00 H new ATOM 0 HA ALA A 74 33.868 -0.596 -25.812 1.00 0.00 H new ATOM 0 HB1 ALA A 74 34.733 1.020 -27.434 1.00 0.00 H new ATOM 0 HB2 ALA A 74 32.973 0.827 -27.614 1.00 0.00 H new ATOM 0 HB3 ALA A 74 33.632 2.266 -26.801 1.00 0.00 H new ATOM 1077 N ALA A 75 34.687 2.289 -24.386 1.00 0.00 N ATOM 1078 CA ALA A 75 35.638 2.919 -23.440 1.00 0.00 C ATOM 1079 C ALA A 75 35.489 2.221 -22.085 1.00 0.00 C ATOM 1080 O ALA A 75 36.357 2.275 -21.237 1.00 0.00 O ATOM 1081 CB ALA A 75 35.270 4.400 -23.301 1.00 0.00 C ATOM 0 H ALA A 75 33.984 2.920 -24.770 1.00 0.00 H new ATOM 0 HA ALA A 75 36.665 2.829 -23.794 1.00 0.00 H new ATOM 0 HB1 ALA A 75 35.959 4.883 -22.608 1.00 0.00 H new ATOM 0 HB2 ALA A 75 35.337 4.884 -24.275 1.00 0.00 H new ATOM 0 HB3 ALA A 75 34.252 4.488 -22.921 1.00 0.00 H new ATOM 1087 N TYR A 76 34.385 1.547 -21.899 1.00 0.00 N ATOM 1088 CA TYR A 76 34.127 0.820 -20.628 1.00 0.00 C ATOM 1089 C TYR A 76 35.112 -0.325 -20.528 1.00 0.00 C ATOM 1090 O TYR A 76 35.625 -0.631 -19.477 1.00 0.00 O ATOM 1091 CB TYR A 76 32.697 0.272 -20.655 1.00 0.00 C ATOM 1092 CG TYR A 76 32.366 -0.407 -19.362 1.00 0.00 C ATOM 1093 CD1 TYR A 76 31.827 0.322 -18.338 1.00 0.00 C ATOM 1094 CD2 TYR A 76 32.590 -1.765 -19.205 1.00 0.00 C ATOM 1095 CE1 TYR A 76 31.506 -0.287 -17.135 1.00 0.00 C ATOM 1096 CE2 TYR A 76 32.269 -2.395 -17.997 1.00 0.00 C ATOM 1097 CZ TYR A 76 31.725 -1.651 -16.957 1.00 0.00 C ATOM 1098 OH TYR A 76 31.407 -2.259 -15.760 1.00 0.00 O ATOM 0 H TYR A 76 33.639 1.470 -22.590 1.00 0.00 H new ATOM 0 HA TYR A 76 34.243 1.484 -19.771 1.00 0.00 H new ATOM 0 HB2 TYR A 76 31.994 1.085 -20.835 1.00 0.00 H new ATOM 0 HB3 TYR A 76 32.588 -0.432 -21.480 1.00 0.00 H new ATOM 0 HD1 TYR A 76 31.650 1.380 -18.468 1.00 0.00 H new ATOM 0 HD2 TYR A 76 33.013 -2.339 -20.016 1.00 0.00 H new ATOM 0 HE1 TYR A 76 31.084 0.299 -16.332 1.00 0.00 H new ATOM 0 HE2 TYR A 76 32.443 -3.454 -17.874 1.00 0.00 H new ATOM 0 HH TYR A 76 31.624 -3.213 -15.810 1.00 0.00 H new ATOM 1108 N VAL A 77 35.393 -0.952 -21.627 1.00 0.00 N ATOM 1109 CA VAL A 77 36.362 -2.061 -21.611 1.00 0.00 C ATOM 1110 C VAL A 77 37.760 -1.466 -21.532 1.00 0.00 C ATOM 1111 O VAL A 77 38.691 -2.093 -21.068 1.00 0.00 O ATOM 1112 CB VAL A 77 36.204 -2.901 -22.879 1.00 0.00 C ATOM 1113 CG1 VAL A 77 37.280 -3.986 -22.911 1.00 0.00 C ATOM 1114 CG2 VAL A 77 34.817 -3.548 -22.892 1.00 0.00 C ATOM 0 H VAL A 77 34.989 -0.740 -22.539 1.00 0.00 H new ATOM 0 HA VAL A 77 36.190 -2.709 -20.752 1.00 0.00 H new ATOM 0 HB VAL A 77 36.312 -2.262 -23.755 1.00 0.00 H new ATOM 0 HG11 VAL A 77 37.167 -4.584 -23.815 1.00 0.00 H new ATOM 0 HG12 VAL A 77 38.266 -3.521 -22.905 1.00 0.00 H new ATOM 0 HG13 VAL A 77 37.176 -4.628 -22.036 1.00 0.00 H new ATOM 0 HG21 VAL A 77 34.703 -4.147 -23.796 1.00 0.00 H new ATOM 0 HG22 VAL A 77 34.706 -4.187 -22.016 1.00 0.00 H new ATOM 0 HG23 VAL A 77 34.053 -2.771 -22.873 1.00 0.00 H new ATOM 1124 N LEU A 78 37.907 -0.241 -21.954 1.00 0.00 N ATOM 1125 CA LEU A 78 39.239 0.405 -21.869 1.00 0.00 C ATOM 1126 C LEU A 78 39.384 1.036 -20.479 1.00 0.00 C ATOM 1127 O LEU A 78 40.432 1.531 -20.113 1.00 0.00 O ATOM 1128 CB LEU A 78 39.362 1.480 -22.956 1.00 0.00 C ATOM 1129 CG LEU A 78 38.597 1.049 -24.220 1.00 0.00 C ATOM 1130 CD1 LEU A 78 39.126 1.833 -25.422 1.00 0.00 C ATOM 1131 CD2 LEU A 78 38.785 -0.449 -24.473 1.00 0.00 C ATOM 0 H LEU A 78 37.165 0.335 -22.351 1.00 0.00 H new ATOM 0 HA LEU A 78 40.027 -0.332 -22.022 1.00 0.00 H new ATOM 0 HB2 LEU A 78 38.966 2.427 -22.588 1.00 0.00 H new ATOM 0 HB3 LEU A 78 40.412 1.646 -23.197 1.00 0.00 H new ATOM 0 HG LEU A 78 37.536 1.253 -24.077 1.00 0.00 H new ATOM 0 HD11 LEU A 78 38.587 1.531 -26.320 1.00 0.00 H new ATOM 0 HD12 LEU A 78 38.980 2.900 -25.253 1.00 0.00 H new ATOM 0 HD13 LEU A 78 40.189 1.628 -25.551 1.00 0.00 H new ATOM 0 HD21 LEU A 78 38.238 -0.738 -25.370 1.00 0.00 H new ATOM 0 HD22 LEU A 78 39.845 -0.665 -24.609 1.00 0.00 H new ATOM 0 HD23 LEU A 78 38.407 -1.012 -23.620 1.00 0.00 H new ATOM 1143 N ASP A 79 38.328 1.022 -19.700 1.00 0.00 N ATOM 1144 CA ASP A 79 38.375 1.608 -18.348 1.00 0.00 C ATOM 1145 C ASP A 79 38.603 0.484 -17.344 1.00 0.00 C ATOM 1146 O ASP A 79 39.502 0.516 -16.528 1.00 0.00 O ATOM 1147 CB ASP A 79 37.030 2.273 -18.059 1.00 0.00 C ATOM 1148 CG ASP A 79 37.226 3.419 -17.065 1.00 0.00 C ATOM 1149 OD1 ASP A 79 38.270 4.048 -17.117 1.00 0.00 O ATOM 1150 OD2 ASP A 79 36.329 3.649 -16.270 1.00 0.00 O ATOM 0 H ASP A 79 37.427 0.620 -19.960 1.00 0.00 H new ATOM 0 HA ASP A 79 39.176 2.343 -18.275 1.00 0.00 H new ATOM 0 HB2 ASP A 79 36.594 2.651 -18.984 1.00 0.00 H new ATOM 0 HB3 ASP A 79 36.331 1.542 -17.653 1.00 0.00 H new ATOM 1155 N GLN A 80 37.777 -0.518 -17.424 1.00 0.00 N ATOM 1156 CA GLN A 80 37.886 -1.681 -16.519 1.00 0.00 C ATOM 1157 C GLN A 80 39.201 -2.415 -16.792 1.00 0.00 C ATOM 1158 O GLN A 80 39.933 -2.763 -15.886 1.00 0.00 O ATOM 1159 CB GLN A 80 36.717 -2.615 -16.802 1.00 0.00 C ATOM 1160 CG GLN A 80 35.403 -1.836 -16.700 1.00 0.00 C ATOM 1161 CD GLN A 80 34.973 -1.742 -15.235 1.00 0.00 C ATOM 1162 OE1 GLN A 80 34.765 -2.748 -14.585 1.00 0.00 O ATOM 1163 NE2 GLN A 80 34.829 -0.568 -14.685 1.00 0.00 N ATOM 0 H GLN A 80 37.013 -0.576 -18.098 1.00 0.00 H new ATOM 0 HA GLN A 80 37.867 -1.355 -15.479 1.00 0.00 H new ATOM 0 HB2 GLN A 80 36.818 -3.050 -17.796 1.00 0.00 H new ATOM 0 HB3 GLN A 80 36.718 -3.441 -16.091 1.00 0.00 H new ATOM 0 HG2 GLN A 80 35.528 -0.837 -17.117 1.00 0.00 H new ATOM 0 HG3 GLN A 80 34.629 -2.332 -17.285 1.00 0.00 H new ATOM 0 HE21 GLN A 80 35.004 0.276 -15.231 1.00 0.00 H new ATOM 0 HE22 GLN A 80 34.542 -0.494 -13.709 1.00 0.00 H new ATOM 1172 N ALA A 81 39.505 -2.647 -18.039 1.00 0.00 N ATOM 1173 CA ALA A 81 40.771 -3.354 -18.380 1.00 0.00 C ATOM 1174 C ALA A 81 41.957 -2.434 -18.093 1.00 0.00 C ATOM 1175 O ALA A 81 43.098 -2.852 -18.099 1.00 0.00 O ATOM 1176 CB ALA A 81 40.760 -3.713 -19.867 1.00 0.00 C ATOM 0 H ALA A 81 38.931 -2.377 -18.837 1.00 0.00 H new ATOM 0 HA ALA A 81 40.858 -4.261 -17.782 1.00 0.00 H new ATOM 0 HB1 ALA A 81 41.684 -4.231 -20.123 1.00 0.00 H new ATOM 0 HB2 ALA A 81 39.910 -4.362 -20.078 1.00 0.00 H new ATOM 0 HB3 ALA A 81 40.678 -2.802 -20.461 1.00 0.00 H new ATOM 1182 N ALA A 82 41.694 -1.178 -17.864 1.00 0.00 N ATOM 1183 CA ALA A 82 42.793 -0.223 -17.601 1.00 0.00 C ATOM 1184 C ALA A 82 43.303 -0.357 -16.163 1.00 0.00 C ATOM 1185 O ALA A 82 44.255 0.296 -15.782 1.00 0.00 O ATOM 1186 CB ALA A 82 42.289 1.204 -17.824 1.00 0.00 C ATOM 0 H ALA A 82 40.757 -0.774 -17.849 1.00 0.00 H new ATOM 0 HA ALA A 82 43.613 -0.445 -18.284 1.00 0.00 H new ATOM 0 HB1 ALA A 82 43.097 1.910 -17.631 1.00 0.00 H new ATOM 0 HB2 ALA A 82 41.950 1.313 -18.854 1.00 0.00 H new ATOM 0 HB3 ALA A 82 41.460 1.407 -17.146 1.00 0.00 H new ATOM 1192 N LYS A 83 42.693 -1.179 -15.347 1.00 0.00 N ATOM 1193 CA LYS A 83 43.193 -1.293 -13.947 1.00 0.00 C ATOM 1194 C LYS A 83 42.401 -2.321 -13.139 1.00 0.00 C ATOM 1195 O LYS A 83 41.848 -2.002 -12.105 1.00 0.00 O ATOM 1196 CB LYS A 83 43.055 0.062 -13.261 1.00 0.00 C ATOM 1197 CG LYS A 83 41.579 0.467 -13.229 1.00 0.00 C ATOM 1198 CD LYS A 83 41.347 1.624 -14.205 1.00 0.00 C ATOM 1199 CE LYS A 83 41.754 2.940 -13.541 1.00 0.00 C ATOM 1200 NZ LYS A 83 40.584 3.863 -13.514 1.00 0.00 N ATOM 0 H LYS A 83 41.890 -1.762 -15.583 1.00 0.00 H new ATOM 0 HA LYS A 83 44.233 -1.615 -13.990 1.00 0.00 H new ATOM 0 HB2 LYS A 83 43.452 0.011 -12.247 1.00 0.00 H new ATOM 0 HB3 LYS A 83 43.638 0.813 -13.794 1.00 0.00 H new ATOM 0 HG2 LYS A 83 40.952 -0.382 -13.499 1.00 0.00 H new ATOM 0 HG3 LYS A 83 41.294 0.765 -12.220 1.00 0.00 H new ATOM 0 HD2 LYS A 83 41.927 1.469 -15.115 1.00 0.00 H new ATOM 0 HD3 LYS A 83 40.298 1.662 -14.499 1.00 0.00 H new ATOM 0 HE2 LYS A 83 42.108 2.754 -12.527 1.00 0.00 H new ATOM 0 HE3 LYS A 83 42.579 3.396 -14.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 40.859 4.759 -13.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 40.266 4.049 -14.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 39.810 3.426 -12.974 1.00 0.00 H new ATOM 1214 N GLY A 84 42.347 -3.548 -13.567 1.00 0.00 N ATOM 1215 CA GLY A 84 41.599 -4.553 -12.773 1.00 0.00 C ATOM 1216 C GLY A 84 40.149 -4.578 -13.230 1.00 0.00 C ATOM 1217 O GLY A 84 39.276 -4.056 -12.579 1.00 0.00 O ATOM 0 H GLY A 84 42.783 -3.895 -14.422 1.00 0.00 H new ATOM 0 HA2 GLY A 84 42.048 -5.538 -12.897 1.00 0.00 H new ATOM 0 HA3 GLY A 84 41.654 -4.309 -11.712 1.00 0.00 H new ATOM 1221 N TRP A 85 39.911 -5.178 -14.355 1.00 0.00 N ATOM 1222 CA TRP A 85 38.529 -5.273 -14.915 1.00 0.00 C ATOM 1223 C TRP A 85 37.510 -5.565 -13.806 1.00 0.00 C ATOM 1224 O TRP A 85 37.138 -6.699 -13.576 1.00 0.00 O ATOM 1225 CB TRP A 85 38.483 -6.416 -15.929 1.00 0.00 C ATOM 1226 CG TRP A 85 38.011 -5.907 -17.244 1.00 0.00 C ATOM 1227 CD1 TRP A 85 38.753 -5.826 -18.369 1.00 0.00 C ATOM 1228 CD2 TRP A 85 36.700 -5.405 -17.585 1.00 0.00 C ATOM 1229 NE1 TRP A 85 37.964 -5.310 -19.384 1.00 0.00 N ATOM 1230 CE2 TRP A 85 36.688 -5.037 -18.946 1.00 0.00 C ATOM 1231 CE3 TRP A 85 35.534 -5.240 -16.843 1.00 0.00 C ATOM 1232 CZ2 TRP A 85 35.543 -4.523 -19.552 1.00 0.00 C ATOM 1233 CZ3 TRP A 85 34.384 -4.715 -17.443 1.00 0.00 C ATOM 1234 CH2 TRP A 85 34.383 -4.358 -18.797 1.00 0.00 C ATOM 0 H TRP A 85 40.630 -5.619 -14.929 1.00 0.00 H new ATOM 0 HA TRP A 85 38.278 -4.323 -15.387 1.00 0.00 H new ATOM 0 HB2 TRP A 85 39.473 -6.860 -16.035 1.00 0.00 H new ATOM 0 HB3 TRP A 85 37.817 -7.203 -15.574 1.00 0.00 H new ATOM 0 HD1 TRP A 85 39.789 -6.115 -18.462 1.00 0.00 H new ATOM 0 HE1 TRP A 85 38.289 -5.152 -20.338 1.00 0.00 H new ATOM 0 HE3 TRP A 85 35.517 -5.518 -15.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 35.554 -4.255 -20.598 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 33.487 -4.584 -16.855 1.00 0.00 H new ATOM 0 HH2 TRP A 85 33.490 -3.958 -19.253 1.00 0.00 H new ATOM 1245 N ALA A 86 37.051 -4.555 -13.124 1.00 0.00 N ATOM 1246 CA ALA A 86 36.054 -4.774 -12.039 1.00 0.00 C ATOM 1247 C ALA A 86 36.609 -5.786 -11.039 1.00 0.00 C ATOM 1248 O ALA A 86 35.949 -6.735 -10.664 1.00 0.00 O ATOM 1249 CB ALA A 86 34.751 -5.309 -12.637 1.00 0.00 C ATOM 0 H ALA A 86 37.324 -3.583 -13.271 1.00 0.00 H new ATOM 0 HA ALA A 86 35.856 -3.829 -11.532 1.00 0.00 H new ATOM 0 HB1 ALA A 86 34.024 -5.468 -11.841 1.00 0.00 H new ATOM 0 HB2 ALA A 86 34.355 -4.587 -13.351 1.00 0.00 H new ATOM 0 HB3 ALA A 86 34.945 -6.253 -13.146 1.00 0.00 H new