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 76 TYR OH : rot 165:sc= -0.449 USER MOD Set 1.2: A 80 GLN : amide:sc= -7.54! C(o=-8!,f=-8.1!) USER MOD Set 2.1: A 5 ASN :FLIP amide:sc= -0.197 F(o=-11,f=-10) USER MOD Set 2.2: A 8 LYS NZ :NH3+ -120:sc= -2.19! (180deg=-4.41!) USER MOD Set 2.3: A 66 THR OG1 : rot -140:sc= -1.92 USER MOD Set 2.4: A 69 GLN :FLIP amide:sc= -5.81! C(o=-16!,f=-10!) USER MOD Set 3.1: A 28 ASN : amide:sc= -6.55! C(o=-6.4!,f=-8.4!) USER MOD Set 3.2: A 29 LYS NZ :NH3+ 163:sc= 0.105 (180deg=0.0471) USER MOD Set 4.1: A 18 HIS :FLIP no HD1:sc= -8.84! C(o=-13!,f=-12!) USER MOD Set 4.2: A 23 ASN : amide:sc= -2.87! C(o=-12!,f=-17!) USER MOD Single : A 11 SER OG : rot -46:sc= 0.0387 USER MOD Single : A 13 ASN :FLIP amide:sc= -7.57! C(o=-9.6!,f=-7.6!) USER MOD Single : A 14 CYS SG : rot 54:sc= -4.84! 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 26 MET CE :methyl -139:sc= -1.9! (180deg=-2.89!) USER MOD Single : A 30 THR OG1 : rot 37:sc= -4.93! USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000484) USER MOD Single : A 38 GLN :FLIP amide:sc= -1.33! C(o=-3.7!,f=-1.3!) USER MOD Single : A 41 MET CE :methyl -156:sc= -0.763 (180deg=-1.89!) USER MOD Single : A 42 TYR OH : rot 172:sc= -7.23! USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 150:sc= -2.01! USER MOD Single : A 50 GLN : amide:sc= -7.56! C(o=-7.6!,f=-8.6!) USER MOD Single : A 52 GLN : amide:sc= -11! C(o=-11!,f=-11!) USER MOD Single : A 53 HIS :FLIP no HE2:sc= -9.18! C(o=-13!,f=-9.2!) USER MOD Single : A 55 LYS NZ :NH3+ -104:sc= -0.993 (180deg=-1.97!) USER MOD Single : A 56 ASN : amide:sc= -0.0965 X(o=-0.097,f=0) USER MOD Single : A 58 MET CE :methyl -174:sc= -8.84! (180deg=-8.94!) USER MOD Single : A 71 GLN : amide:sc= -0.498 X(o=-0.5,f=-0.17) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 31.455 9.729 -17.693 1.00 0.00 N ATOM 14 CA ASP A 2 30.494 9.345 -18.765 1.00 0.00 C ATOM 15 C ASP A 2 30.574 7.840 -19.009 1.00 0.00 C ATOM 16 O ASP A 2 29.628 7.227 -19.463 1.00 0.00 O ATOM 17 CB ASP A 2 30.840 10.080 -20.058 1.00 0.00 C ATOM 18 CG ASP A 2 30.788 11.590 -19.817 1.00 0.00 C ATOM 19 OD1 ASP A 2 30.377 11.984 -18.737 1.00 0.00 O ATOM 20 OD2 ASP A 2 31.159 12.327 -20.715 1.00 0.00 O ATOM 0 HA ASP A 2 29.485 9.614 -18.452 1.00 0.00 H new ATOM 0 HB2 ASP A 2 31.834 9.790 -20.399 1.00 0.00 H new ATOM 0 HB3 ASP A 2 30.139 9.802 -20.845 1.00 0.00 H new ATOM 25 N LEU A 3 31.693 7.233 -18.718 1.00 0.00 N ATOM 26 CA LEU A 3 31.812 5.766 -18.943 1.00 0.00 C ATOM 27 C LEU A 3 30.963 5.025 -17.918 1.00 0.00 C ATOM 28 O LEU A 3 30.840 3.820 -17.964 1.00 0.00 O ATOM 29 CB LEU A 3 33.270 5.327 -18.814 1.00 0.00 C ATOM 30 CG LEU A 3 34.129 6.106 -19.809 1.00 0.00 C ATOM 31 CD1 LEU A 3 35.166 6.936 -19.050 1.00 0.00 C ATOM 32 CD2 LEU A 3 34.840 5.122 -20.737 1.00 0.00 C ATOM 0 H LEU A 3 32.523 7.686 -18.337 1.00 0.00 H new ATOM 0 HA LEU A 3 31.461 5.532 -19.948 1.00 0.00 H new ATOM 0 HB2 LEU A 3 33.624 5.501 -17.798 1.00 0.00 H new ATOM 0 HB3 LEU A 3 33.356 4.257 -19.003 1.00 0.00 H new ATOM 0 HG LEU A 3 33.497 6.771 -20.397 1.00 0.00 H new ATOM 0 HD11 LEU A 3 35.778 7.491 -19.760 1.00 0.00 H new ATOM 0 HD12 LEU A 3 34.657 7.635 -18.386 1.00 0.00 H new ATOM 0 HD13 LEU A 3 35.802 6.274 -18.462 1.00 0.00 H new ATOM 0 HD21 LEU A 3 35.454 5.673 -21.449 1.00 0.00 H new ATOM 0 HD22 LEU A 3 35.473 4.459 -20.148 1.00 0.00 H new ATOM 0 HD23 LEU A 3 34.100 4.531 -21.277 1.00 0.00 H new ATOM 44 N ALA A 4 30.352 5.731 -17.008 1.00 0.00 N ATOM 45 CA ALA A 4 29.484 5.050 -16.028 1.00 0.00 C ATOM 46 C ALA A 4 28.271 4.535 -16.796 1.00 0.00 C ATOM 47 O ALA A 4 27.527 3.691 -16.337 1.00 0.00 O ATOM 48 CB ALA A 4 29.042 6.038 -14.945 1.00 0.00 C ATOM 0 H ALA A 4 30.420 6.744 -16.906 1.00 0.00 H new ATOM 0 HA ALA A 4 30.012 4.232 -15.538 1.00 0.00 H new ATOM 0 HB1 ALA A 4 28.402 5.527 -14.226 1.00 0.00 H new ATOM 0 HB2 ALA A 4 29.919 6.433 -14.433 1.00 0.00 H new ATOM 0 HB3 ALA A 4 28.490 6.858 -15.404 1.00 0.00 H new ATOM 54 N ASN A 5 28.085 5.048 -17.987 1.00 0.00 N ATOM 55 CA ASN A 5 26.951 4.624 -18.840 1.00 0.00 C ATOM 56 C ASN A 5 27.365 3.388 -19.645 1.00 0.00 C ATOM 57 O ASN A 5 26.678 2.960 -20.552 1.00 0.00 O ATOM 58 CB ASN A 5 26.625 5.766 -19.799 1.00 0.00 C ATOM 59 CG ASN A 5 25.192 6.247 -19.562 1.00 0.00 C ATOM 60 OD1 ASN A 5 24.776 6.445 -18.342 1.00 0.00 O flip ATOM 61 ND2 ASN A 5 24.444 6.445 -20.498 1.00 0.00 N flip ATOM 0 H ASN A 5 28.688 5.757 -18.405 1.00 0.00 H new ATOM 0 HA ASN A 5 26.081 4.383 -18.229 1.00 0.00 H new ATOM 0 HB2 ASN A 5 27.324 6.589 -19.650 1.00 0.00 H new ATOM 0 HB3 ASN A 5 26.741 5.432 -20.830 1.00 0.00 H new ATOM 0 HD21 ASN A 5 24.769 6.290 -21.452 1.00 0.00 H new ATOM 0 HD22 ASN A 5 23.491 6.766 -20.330 1.00 0.00 H new ATOM 68 N GLY A 6 28.489 2.818 -19.313 1.00 0.00 N ATOM 69 CA GLY A 6 28.979 1.618 -20.031 1.00 0.00 C ATOM 70 C GLY A 6 28.820 0.410 -19.113 1.00 0.00 C ATOM 71 O GLY A 6 28.515 -0.665 -19.554 1.00 0.00 O ATOM 0 H GLY A 6 29.097 3.142 -18.560 1.00 0.00 H new ATOM 0 HA2 GLY A 6 28.416 1.471 -20.952 1.00 0.00 H new ATOM 0 HA3 GLY A 6 30.024 1.745 -20.313 1.00 0.00 H new ATOM 75 N ALA A 7 29.030 0.593 -17.837 1.00 0.00 N ATOM 76 CA ALA A 7 28.886 -0.534 -16.871 1.00 0.00 C ATOM 77 C ALA A 7 27.459 -1.082 -16.920 1.00 0.00 C ATOM 78 O ALA A 7 27.182 -2.148 -16.417 1.00 0.00 O ATOM 79 CB ALA A 7 29.204 -0.049 -15.457 1.00 0.00 C ATOM 0 H ALA A 7 29.298 1.484 -17.419 1.00 0.00 H new ATOM 0 HA ALA A 7 29.583 -1.327 -17.143 1.00 0.00 H new ATOM 0 HB1 ALA A 7 29.097 -0.877 -14.756 1.00 0.00 H new ATOM 0 HB2 ALA A 7 30.227 0.326 -15.422 1.00 0.00 H new ATOM 0 HB3 ALA A 7 28.515 0.750 -15.183 1.00 0.00 H new ATOM 85 N LYS A 8 26.555 -0.385 -17.545 1.00 0.00 N ATOM 86 CA LYS A 8 25.178 -0.914 -17.655 1.00 0.00 C ATOM 87 C LYS A 8 25.164 -1.788 -18.904 1.00 0.00 C ATOM 88 O LYS A 8 24.476 -2.785 -18.999 1.00 0.00 O ATOM 89 CB LYS A 8 24.171 0.246 -17.768 1.00 0.00 C ATOM 90 CG LYS A 8 23.771 0.502 -19.232 1.00 0.00 C ATOM 91 CD LYS A 8 23.419 1.975 -19.411 1.00 0.00 C ATOM 92 CE LYS A 8 24.575 2.825 -18.893 1.00 0.00 C ATOM 93 NZ LYS A 8 24.208 3.406 -17.570 1.00 0.00 N ATOM 0 H LYS A 8 26.712 0.523 -17.981 1.00 0.00 H new ATOM 0 HA LYS A 8 24.890 -1.491 -16.776 1.00 0.00 H new ATOM 0 HB2 LYS A 8 23.282 0.016 -17.181 1.00 0.00 H new ATOM 0 HB3 LYS A 8 24.607 1.151 -17.345 1.00 0.00 H new ATOM 0 HG2 LYS A 8 24.590 0.229 -19.897 1.00 0.00 H new ATOM 0 HG3 LYS A 8 22.919 -0.122 -19.502 1.00 0.00 H new ATOM 0 HD2 LYS A 8 23.232 2.193 -20.463 1.00 0.00 H new ATOM 0 HD3 LYS A 8 22.504 2.213 -18.869 1.00 0.00 H new ATOM 0 HE2 LYS A 8 25.474 2.217 -18.799 1.00 0.00 H new ATOM 0 HE3 LYS A 8 24.802 3.621 -19.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 24.233 4.444 -17.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 23.250 3.097 -17.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 24.885 3.083 -16.849 1.00 0.00 H new ATOM 107 N VAL A 9 25.955 -1.389 -19.855 1.00 0.00 N ATOM 108 CA VAL A 9 26.076 -2.128 -21.133 1.00 0.00 C ATOM 109 C VAL A 9 26.948 -3.364 -20.929 1.00 0.00 C ATOM 110 O VAL A 9 26.805 -4.355 -21.611 1.00 0.00 O ATOM 111 CB VAL A 9 26.761 -1.217 -22.156 1.00 0.00 C ATOM 112 CG1 VAL A 9 26.529 -1.766 -23.566 1.00 0.00 C ATOM 113 CG2 VAL A 9 26.191 0.194 -22.054 1.00 0.00 C ATOM 0 H VAL A 9 26.540 -0.555 -19.795 1.00 0.00 H new ATOM 0 HA VAL A 9 25.087 -2.428 -21.480 1.00 0.00 H new ATOM 0 HB VAL A 9 27.831 -1.186 -21.951 1.00 0.00 H new ATOM 0 HG11 VAL A 9 27.017 -1.117 -24.294 1.00 0.00 H new ATOM 0 HG12 VAL A 9 26.946 -2.771 -23.638 1.00 0.00 H new ATOM 0 HG13 VAL A 9 25.459 -1.802 -23.771 1.00 0.00 H new ATOM 0 HG21 VAL A 9 26.682 0.838 -22.784 1.00 0.00 H new ATOM 0 HG22 VAL A 9 25.120 0.169 -22.254 1.00 0.00 H new ATOM 0 HG23 VAL A 9 26.364 0.585 -21.051 1.00 0.00 H new ATOM 123 N PHE A 10 27.871 -3.295 -20.009 1.00 0.00 N ATOM 124 CA PHE A 10 28.786 -4.440 -19.771 1.00 0.00 C ATOM 125 C PHE A 10 28.329 -5.240 -18.558 1.00 0.00 C ATOM 126 O PHE A 10 28.454 -6.447 -18.515 1.00 0.00 O ATOM 127 CB PHE A 10 30.192 -3.885 -19.545 1.00 0.00 C ATOM 128 CG PHE A 10 31.138 -5.009 -19.242 1.00 0.00 C ATOM 129 CD1 PHE A 10 31.200 -5.520 -17.950 1.00 0.00 C ATOM 130 CD2 PHE A 10 31.956 -5.538 -20.247 1.00 0.00 C ATOM 131 CE1 PHE A 10 32.076 -6.559 -17.656 1.00 0.00 C ATOM 132 CE2 PHE A 10 32.839 -6.580 -19.951 1.00 0.00 C ATOM 133 CZ PHE A 10 32.899 -7.090 -18.653 1.00 0.00 C ATOM 0 H PHE A 10 28.029 -2.486 -19.408 1.00 0.00 H new ATOM 0 HA PHE A 10 28.782 -5.109 -20.632 1.00 0.00 H new ATOM 0 HB2 PHE A 10 30.526 -3.344 -20.430 1.00 0.00 H new ATOM 0 HB3 PHE A 10 30.184 -3.172 -18.721 1.00 0.00 H new ATOM 0 HD1 PHE A 10 30.568 -5.110 -17.176 1.00 0.00 H new ATOM 0 HD2 PHE A 10 31.905 -5.141 -21.250 1.00 0.00 H new ATOM 0 HE1 PHE A 10 32.121 -6.957 -16.653 1.00 0.00 H new ATOM 0 HE2 PHE A 10 33.473 -6.989 -20.724 1.00 0.00 H new ATOM 0 HZ PHE A 10 33.581 -7.894 -18.419 1.00 0.00 H new ATOM 143 N SER A 11 27.792 -4.587 -17.582 1.00 0.00 N ATOM 144 CA SER A 11 27.315 -5.320 -16.379 1.00 0.00 C ATOM 145 C SER A 11 25.894 -5.830 -16.636 1.00 0.00 C ATOM 146 O SER A 11 25.216 -6.283 -15.736 1.00 0.00 O ATOM 147 CB SER A 11 27.317 -4.382 -15.170 1.00 0.00 C ATOM 148 OG SER A 11 27.354 -5.149 -13.977 1.00 0.00 O ATOM 0 H SER A 11 27.659 -3.576 -17.558 1.00 0.00 H new ATOM 0 HA SER A 11 27.976 -6.163 -16.176 1.00 0.00 H new ATOM 0 HB2 SER A 11 28.179 -3.716 -15.214 1.00 0.00 H new ATOM 0 HB3 SER A 11 26.427 -3.753 -15.183 1.00 0.00 H new ATOM 0 HG SER A 11 26.697 -5.874 -14.034 1.00 0.00 H new ATOM 154 N GLY A 12 25.437 -5.752 -17.858 1.00 0.00 N ATOM 155 CA GLY A 12 24.065 -6.225 -18.165 1.00 0.00 C ATOM 156 C GLY A 12 24.010 -6.917 -19.538 1.00 0.00 C ATOM 157 O GLY A 12 22.994 -7.469 -19.910 1.00 0.00 O ATOM 0 H GLY A 12 25.958 -5.381 -18.653 1.00 0.00 H new ATOM 0 HA2 GLY A 12 23.735 -6.919 -17.392 1.00 0.00 H new ATOM 0 HA3 GLY A 12 23.375 -5.381 -18.152 1.00 0.00 H new ATOM 161 N ASN A 13 25.071 -6.893 -20.301 1.00 0.00 N ATOM 162 CA ASN A 13 25.027 -7.553 -21.639 1.00 0.00 C ATOM 163 C ASN A 13 26.405 -8.124 -21.988 1.00 0.00 C ATOM 164 O ASN A 13 26.542 -9.285 -22.319 1.00 0.00 O ATOM 165 CB ASN A 13 24.622 -6.525 -22.696 1.00 0.00 C ATOM 166 CG ASN A 13 23.619 -5.535 -22.095 1.00 0.00 C ATOM 167 OD1 ASN A 13 24.000 -4.737 -21.134 1.00 0.00 O flip ATOM 168 ND2 ASN A 13 22.477 -5.486 -22.506 1.00 0.00 N flip ATOM 0 H ASN A 13 25.957 -6.450 -20.059 1.00 0.00 H new ATOM 0 HA ASN A 13 24.300 -8.365 -21.614 1.00 0.00 H new ATOM 0 HB2 ASN A 13 25.502 -5.992 -23.056 1.00 0.00 H new ATOM 0 HB3 ASN A 13 24.180 -7.028 -23.556 1.00 0.00 H new ATOM 0 HD21 ASN A 13 22.178 -6.109 -23.257 1.00 0.00 H new ATOM 0 HD22 ASN A 13 21.817 -4.822 -22.101 1.00 0.00 H new ATOM 175 N CYS A 14 27.422 -7.314 -21.918 1.00 0.00 N ATOM 176 CA CYS A 14 28.795 -7.796 -22.246 1.00 0.00 C ATOM 177 C CYS A 14 29.219 -8.855 -21.226 1.00 0.00 C ATOM 178 O CYS A 14 29.984 -9.746 -21.526 1.00 0.00 O ATOM 179 CB CYS A 14 29.763 -6.607 -22.201 1.00 0.00 C ATOM 180 SG CYS A 14 28.999 -5.153 -22.989 1.00 0.00 S ATOM 0 H CYS A 14 27.363 -6.333 -21.646 1.00 0.00 H new ATOM 0 HA CYS A 14 28.808 -8.238 -23.242 1.00 0.00 H new ATOM 0 HB2 CYS A 14 30.022 -6.377 -21.167 1.00 0.00 H new ATOM 0 HB3 CYS A 14 30.691 -6.863 -22.713 1.00 0.00 H new ATOM 0 HG CYS A 14 27.842 -4.922 -22.443 1.00 0.00 H new ATOM 185 N ALA A 15 28.722 -8.768 -20.026 1.00 0.00 N ATOM 186 CA ALA A 15 29.093 -9.771 -18.989 1.00 0.00 C ATOM 187 C ALA A 15 28.691 -11.176 -19.450 1.00 0.00 C ATOM 188 O ALA A 15 29.322 -12.154 -19.108 1.00 0.00 O ATOM 189 CB ALA A 15 28.374 -9.440 -17.681 1.00 0.00 C ATOM 0 H ALA A 15 28.073 -8.044 -19.717 1.00 0.00 H new ATOM 0 HA ALA A 15 30.171 -9.741 -18.834 1.00 0.00 H new ATOM 0 HB1 ALA A 15 28.645 -10.173 -16.921 1.00 0.00 H new ATOM 0 HB2 ALA A 15 28.668 -8.445 -17.346 1.00 0.00 H new ATOM 0 HB3 ALA A 15 27.296 -9.465 -17.842 1.00 0.00 H new ATOM 195 N ALA A 16 27.644 -11.291 -20.220 1.00 0.00 N ATOM 196 CA ALA A 16 27.216 -12.642 -20.689 1.00 0.00 C ATOM 197 C ALA A 16 28.359 -13.291 -21.471 1.00 0.00 C ATOM 198 O ALA A 16 28.582 -14.484 -21.395 1.00 0.00 O ATOM 199 CB ALA A 16 25.992 -12.507 -21.597 1.00 0.00 C ATOM 0 H ALA A 16 27.068 -10.514 -20.544 1.00 0.00 H new ATOM 0 HA ALA A 16 26.961 -13.261 -19.829 1.00 0.00 H new ATOM 0 HB1 ALA A 16 25.681 -13.495 -21.938 1.00 0.00 H new ATOM 0 HB2 ALA A 16 25.177 -12.042 -21.042 1.00 0.00 H new ATOM 0 HB3 ALA A 16 26.244 -11.888 -22.458 1.00 0.00 H new ATOM 205 N CYS A 17 29.086 -12.513 -22.220 1.00 0.00 N ATOM 206 CA CYS A 17 30.219 -13.068 -23.011 1.00 0.00 C ATOM 207 C CYS A 17 31.512 -12.381 -22.586 1.00 0.00 C ATOM 208 O CYS A 17 32.523 -12.457 -23.257 1.00 0.00 O ATOM 209 CB CYS A 17 29.967 -12.808 -24.479 1.00 0.00 C ATOM 210 SG CYS A 17 28.541 -13.804 -25.010 1.00 0.00 S ATOM 0 H CYS A 17 28.943 -11.508 -22.320 1.00 0.00 H new ATOM 0 HA CYS A 17 30.305 -14.141 -22.838 1.00 0.00 H new ATOM 0 HB2 CYS A 17 29.772 -11.749 -24.647 1.00 0.00 H new ATOM 0 HB3 CYS A 17 30.848 -13.067 -25.066 1.00 0.00 H new ATOM 0 HG CYS A 17 28.308 -13.591 -26.271 1.00 0.00 H new ATOM 215 N HIS A 18 31.483 -11.703 -21.474 1.00 0.00 N ATOM 216 CA HIS A 18 32.700 -11.000 -20.997 1.00 0.00 C ATOM 217 C HIS A 18 32.577 -10.755 -19.493 1.00 0.00 C ATOM 218 O HIS A 18 33.147 -9.829 -18.957 1.00 0.00 O ATOM 219 CB HIS A 18 32.822 -9.656 -21.717 1.00 0.00 C ATOM 220 CG HIS A 18 32.993 -9.870 -23.182 1.00 0.00 C ATOM 221 ND1 HIS A 18 32.101 -9.938 -24.218 1.00 0.00 N flip ATOM 222 CD2 HIS A 18 34.244 -10.012 -23.742 1.00 0.00 C flip ATOM 223 CE1 HIS A 18 32.793 -10.122 -25.412 1.00 0.00 C flip ATOM 224 NE2 HIS A 18 34.081 -10.156 -25.062 1.00 0.00 N flip ATOM 0 H HIS A 18 30.664 -11.606 -20.874 1.00 0.00 H new ATOM 0 HA HIS A 18 33.582 -11.607 -21.203 1.00 0.00 H new ATOM 0 HB2 HIS A 18 31.933 -9.054 -21.532 1.00 0.00 H new ATOM 0 HB3 HIS A 18 33.672 -9.099 -21.322 1.00 0.00 H new ATOM 0 HD2 HIS A 18 35.185 -10.008 -23.212 1.00 0.00 H new ATOM 0 HE1 HIS A 18 32.378 -10.217 -26.405 1.00 0.00 H new ATOM 0 HE2 HIS A 18 34.849 -10.277 -25.722 1.00 0.00 H new ATOM 232 N MET A 19 31.833 -11.576 -18.808 1.00 0.00 N ATOM 233 CA MET A 19 31.666 -11.384 -17.339 1.00 0.00 C ATOM 234 C MET A 19 33.041 -11.280 -16.684 1.00 0.00 C ATOM 235 O MET A 19 33.996 -11.885 -17.129 1.00 0.00 O ATOM 236 CB MET A 19 30.903 -12.572 -16.750 1.00 0.00 C ATOM 237 CG MET A 19 31.314 -13.853 -17.478 1.00 0.00 C ATOM 238 SD MET A 19 31.137 -15.261 -16.355 1.00 0.00 S ATOM 239 CE MET A 19 30.892 -16.530 -17.620 1.00 0.00 C ATOM 0 H MET A 19 31.332 -12.373 -19.201 1.00 0.00 H new ATOM 0 HA MET A 19 31.104 -10.469 -17.152 1.00 0.00 H new ATOM 0 HB2 MET A 19 31.115 -12.662 -15.685 1.00 0.00 H new ATOM 0 HB3 MET A 19 29.829 -12.413 -16.849 1.00 0.00 H new ATOM 0 HG2 MET A 19 30.693 -13.998 -18.362 1.00 0.00 H new ATOM 0 HG3 MET A 19 32.345 -13.775 -17.822 1.00 0.00 H new ATOM 0 HE1 MET A 19 30.759 -17.500 -17.141 1.00 0.00 H new ATOM 0 HE2 MET A 19 30.006 -16.291 -18.208 1.00 0.00 H new ATOM 0 HE3 MET A 19 31.763 -16.565 -18.274 1.00 0.00 H new ATOM 249 N GLY A 20 33.160 -10.507 -15.637 1.00 0.00 N ATOM 250 CA GLY A 20 34.484 -10.365 -14.979 1.00 0.00 C ATOM 251 C GLY A 20 35.530 -10.118 -16.063 1.00 0.00 C ATOM 252 O GLY A 20 36.650 -10.580 -15.983 1.00 0.00 O ATOM 0 H GLY A 20 32.401 -9.973 -15.214 1.00 0.00 H new ATOM 0 HA2 GLY A 20 34.469 -9.538 -14.269 1.00 0.00 H new ATOM 0 HA3 GLY A 20 34.727 -11.265 -14.414 1.00 0.00 H new ATOM 256 N GLY A 21 35.159 -9.395 -17.084 1.00 0.00 N ATOM 257 CA GLY A 21 36.108 -9.116 -18.189 1.00 0.00 C ATOM 258 C GLY A 21 36.772 -10.425 -18.625 1.00 0.00 C ATOM 259 O GLY A 21 37.980 -10.532 -18.681 1.00 0.00 O ATOM 0 H GLY A 21 34.232 -8.985 -17.197 1.00 0.00 H new ATOM 0 HA2 GLY A 21 35.583 -8.663 -19.030 1.00 0.00 H new ATOM 0 HA3 GLY A 21 36.864 -8.402 -17.863 1.00 0.00 H new ATOM 263 N GLY A 22 35.988 -11.423 -18.931 1.00 0.00 N ATOM 264 CA GLY A 22 36.573 -12.725 -19.361 1.00 0.00 C ATOM 265 C GLY A 22 35.787 -13.263 -20.559 1.00 0.00 C ATOM 266 O GLY A 22 34.592 -13.468 -20.488 1.00 0.00 O ATOM 0 H GLY A 22 34.969 -11.393 -18.902 1.00 0.00 H new ATOM 0 HA2 GLY A 22 37.622 -12.595 -19.629 1.00 0.00 H new ATOM 0 HA3 GLY A 22 36.540 -13.440 -18.539 1.00 0.00 H new ATOM 270 N ASN A 23 36.450 -13.494 -21.659 1.00 0.00 N ATOM 271 CA ASN A 23 35.744 -14.018 -22.863 1.00 0.00 C ATOM 272 C ASN A 23 35.196 -15.416 -22.564 1.00 0.00 C ATOM 273 O ASN A 23 35.707 -16.122 -21.718 1.00 0.00 O ATOM 274 CB ASN A 23 36.725 -14.090 -24.033 1.00 0.00 C ATOM 275 CG ASN A 23 35.952 -14.017 -25.351 1.00 0.00 C ATOM 276 OD1 ASN A 23 35.902 -14.979 -26.093 1.00 0.00 O ATOM 277 ND2 ASN A 23 35.346 -12.909 -25.679 1.00 0.00 N ATOM 0 H ASN A 23 37.452 -13.342 -21.776 1.00 0.00 H new ATOM 0 HA ASN A 23 34.919 -13.355 -23.122 1.00 0.00 H new ATOM 0 HB2 ASN A 23 37.441 -13.270 -23.973 1.00 0.00 H new ATOM 0 HB3 ASN A 23 37.297 -15.016 -23.985 1.00 0.00 H new ATOM 0 HD21 ASN A 23 34.831 -12.850 -26.557 1.00 0.00 H new ATOM 0 HD22 ASN A 23 35.387 -12.102 -25.057 1.00 0.00 H new ATOM 284 N VAL A 24 34.156 -15.822 -23.245 1.00 0.00 N ATOM 285 CA VAL A 24 33.583 -17.175 -22.983 1.00 0.00 C ATOM 286 C VAL A 24 33.566 -18.002 -24.272 1.00 0.00 C ATOM 287 O VAL A 24 33.519 -19.214 -24.236 1.00 0.00 O ATOM 288 CB VAL A 24 32.153 -17.031 -22.459 1.00 0.00 C ATOM 289 CG1 VAL A 24 32.123 -15.993 -21.335 1.00 0.00 C ATOM 290 CG2 VAL A 24 31.235 -16.578 -23.596 1.00 0.00 C ATOM 0 H VAL A 24 33.682 -15.279 -23.967 1.00 0.00 H new ATOM 0 HA VAL A 24 34.201 -17.681 -22.241 1.00 0.00 H new ATOM 0 HB VAL A 24 31.809 -17.992 -22.076 1.00 0.00 H new ATOM 0 HG11 VAL A 24 31.104 -15.890 -20.962 1.00 0.00 H new ATOM 0 HG12 VAL A 24 32.776 -16.316 -20.524 1.00 0.00 H new ATOM 0 HG13 VAL A 24 32.468 -15.032 -21.718 1.00 0.00 H new ATOM 0 HG21 VAL A 24 30.216 -16.476 -23.222 1.00 0.00 H new ATOM 0 HG22 VAL A 24 31.579 -15.618 -23.981 1.00 0.00 H new ATOM 0 HG23 VAL A 24 31.255 -17.318 -24.396 1.00 0.00 H new ATOM 300 N VAL A 25 33.594 -17.364 -25.408 1.00 0.00 N ATOM 301 CA VAL A 25 33.570 -18.133 -26.685 1.00 0.00 C ATOM 302 C VAL A 25 34.973 -18.175 -27.293 1.00 0.00 C ATOM 303 O VAL A 25 35.610 -19.210 -27.334 1.00 0.00 O ATOM 304 CB VAL A 25 32.604 -17.466 -27.665 1.00 0.00 C ATOM 305 CG1 VAL A 25 32.370 -18.396 -28.856 1.00 0.00 C ATOM 306 CG2 VAL A 25 31.273 -17.193 -26.962 1.00 0.00 C ATOM 0 H VAL A 25 33.632 -16.350 -25.509 1.00 0.00 H new ATOM 0 HA VAL A 25 33.238 -19.152 -26.485 1.00 0.00 H new ATOM 0 HB VAL A 25 33.029 -16.525 -28.014 1.00 0.00 H new ATOM 0 HG11 VAL A 25 31.682 -17.924 -29.557 1.00 0.00 H new ATOM 0 HG12 VAL A 25 33.318 -18.593 -29.356 1.00 0.00 H new ATOM 0 HG13 VAL A 25 31.943 -19.336 -28.506 1.00 0.00 H new ATOM 0 HG21 VAL A 25 30.584 -16.718 -27.660 1.00 0.00 H new ATOM 0 HG22 VAL A 25 30.846 -18.133 -26.614 1.00 0.00 H new ATOM 0 HG23 VAL A 25 31.440 -16.533 -26.111 1.00 0.00 H new ATOM 316 N MET A 26 35.461 -17.064 -27.769 1.00 0.00 N ATOM 317 CA MET A 26 36.823 -17.055 -28.376 1.00 0.00 C ATOM 318 C MET A 26 37.799 -17.781 -27.447 1.00 0.00 C ATOM 319 O MET A 26 38.686 -18.483 -27.889 1.00 0.00 O ATOM 320 CB MET A 26 37.286 -15.612 -28.579 1.00 0.00 C ATOM 321 CG MET A 26 37.375 -15.308 -30.077 1.00 0.00 C ATOM 322 SD MET A 26 38.452 -16.521 -30.882 1.00 0.00 S ATOM 323 CE MET A 26 37.153 -17.448 -31.733 1.00 0.00 C ATOM 0 H MET A 26 34.979 -16.165 -27.765 1.00 0.00 H new ATOM 0 HA MET A 26 36.793 -17.562 -29.340 1.00 0.00 H new ATOM 0 HB2 MET A 26 36.589 -14.925 -28.099 1.00 0.00 H new ATOM 0 HB3 MET A 26 38.258 -15.461 -28.109 1.00 0.00 H new ATOM 0 HG2 MET A 26 36.381 -15.337 -30.524 1.00 0.00 H new ATOM 0 HG3 MET A 26 37.765 -14.302 -30.231 1.00 0.00 H new ATOM 0 HE1 MET A 26 37.367 -18.515 -31.671 1.00 0.00 H new ATOM 0 HE2 MET A 26 36.192 -17.243 -31.262 1.00 0.00 H new ATOM 0 HE3 MET A 26 37.116 -17.145 -32.779 1.00 0.00 H new ATOM 333 N ALA A 27 37.639 -17.622 -26.161 1.00 0.00 N ATOM 334 CA ALA A 27 38.556 -18.307 -25.204 1.00 0.00 C ATOM 335 C ALA A 27 39.939 -17.654 -25.255 1.00 0.00 C ATOM 336 O ALA A 27 40.953 -18.319 -25.200 1.00 0.00 O ATOM 337 CB ALA A 27 38.675 -19.784 -25.584 1.00 0.00 C ATOM 0 H ALA A 27 36.914 -17.048 -25.731 1.00 0.00 H new ATOM 0 HA ALA A 27 38.155 -18.220 -24.194 1.00 0.00 H new ATOM 0 HB1 ALA A 27 39.345 -20.286 -24.886 1.00 0.00 H new ATOM 0 HB2 ALA A 27 37.691 -20.251 -25.543 1.00 0.00 H new ATOM 0 HB3 ALA A 27 39.074 -19.869 -26.595 1.00 0.00 H new ATOM 343 N ASN A 28 39.984 -16.352 -25.350 1.00 0.00 N ATOM 344 CA ASN A 28 41.292 -15.645 -25.397 1.00 0.00 C ATOM 345 C ASN A 28 41.040 -14.148 -25.581 1.00 0.00 C ATOM 346 O ASN A 28 41.728 -13.316 -25.022 1.00 0.00 O ATOM 347 CB ASN A 28 42.129 -16.173 -26.568 1.00 0.00 C ATOM 348 CG ASN A 28 41.580 -15.619 -27.883 1.00 0.00 C ATOM 349 OD1 ASN A 28 42.215 -14.805 -28.525 1.00 0.00 O ATOM 350 ND2 ASN A 28 40.418 -16.025 -28.314 1.00 0.00 N ATOM 0 H ASN A 28 39.165 -15.746 -25.397 1.00 0.00 H new ATOM 0 HA ASN A 28 41.835 -15.819 -24.468 1.00 0.00 H new ATOM 0 HB2 ASN A 28 43.171 -15.879 -26.445 1.00 0.00 H new ATOM 0 HB3 ASN A 28 42.105 -17.263 -26.583 1.00 0.00 H new ATOM 0 HD21 ASN A 28 40.043 -15.660 -29.189 1.00 0.00 H new ATOM 0 HD22 ASN A 28 39.885 -16.708 -27.776 1.00 0.00 H new ATOM 357 N LYS A 29 40.054 -13.802 -26.363 1.00 0.00 N ATOM 358 CA LYS A 29 39.743 -12.366 -26.592 1.00 0.00 C ATOM 359 C LYS A 29 38.954 -11.827 -25.395 1.00 0.00 C ATOM 360 O LYS A 29 37.751 -11.664 -25.451 1.00 0.00 O ATOM 361 CB LYS A 29 38.907 -12.234 -27.868 1.00 0.00 C ATOM 362 CG LYS A 29 39.772 -11.647 -28.988 1.00 0.00 C ATOM 363 CD LYS A 29 40.761 -12.708 -29.479 1.00 0.00 C ATOM 364 CE LYS A 29 40.943 -12.572 -30.993 1.00 0.00 C ATOM 365 NZ LYS A 29 40.803 -13.909 -31.636 1.00 0.00 N ATOM 0 H LYS A 29 39.448 -14.458 -26.855 1.00 0.00 H new ATOM 0 HA LYS A 29 40.665 -11.795 -26.703 1.00 0.00 H new ATOM 0 HB2 LYS A 29 38.521 -13.209 -28.165 1.00 0.00 H new ATOM 0 HB3 LYS A 29 38.045 -11.592 -27.686 1.00 0.00 H new ATOM 0 HG2 LYS A 29 39.141 -11.313 -29.812 1.00 0.00 H new ATOM 0 HG3 LYS A 29 40.311 -10.772 -28.625 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.720 -12.589 -28.974 1.00 0.00 H new ATOM 0 HD3 LYS A 29 40.394 -13.705 -29.234 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.202 -11.883 -31.398 1.00 0.00 H new ATOM 0 HE3 LYS A 29 41.924 -12.151 -31.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 40.638 -13.788 -32.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 41.674 -14.458 -31.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.999 -14.415 -31.213 1.00 0.00 H new ATOM 379 N THR A 30 39.626 -11.558 -24.307 1.00 0.00 N ATOM 380 CA THR A 30 38.926 -11.040 -23.097 1.00 0.00 C ATOM 381 C THR A 30 38.736 -9.523 -23.214 1.00 0.00 C ATOM 382 O THR A 30 39.073 -8.922 -24.215 1.00 0.00 O ATOM 383 CB THR A 30 39.766 -11.369 -21.861 1.00 0.00 C ATOM 384 OG1 THR A 30 39.090 -10.926 -20.693 1.00 0.00 O ATOM 385 CG2 THR A 30 41.120 -10.672 -21.968 1.00 0.00 C ATOM 0 H THR A 30 40.634 -11.676 -24.205 1.00 0.00 H new ATOM 0 HA THR A 30 37.945 -11.508 -23.009 1.00 0.00 H new ATOM 0 HB THR A 30 39.917 -12.447 -21.800 1.00 0.00 H new ATOM 0 HG1 THR A 30 38.126 -11.065 -20.800 1.00 0.00 H new ATOM 0 HG21 THR A 30 41.720 -10.905 -21.088 1.00 0.00 H new ATOM 0 HG22 THR A 30 41.638 -11.018 -22.862 1.00 0.00 H new ATOM 0 HG23 THR A 30 40.970 -9.594 -22.030 1.00 0.00 H new ATOM 393 N LEU A 31 38.182 -8.900 -22.206 1.00 0.00 N ATOM 394 CA LEU A 31 37.951 -7.428 -22.269 1.00 0.00 C ATOM 395 C LEU A 31 39.028 -6.677 -21.488 1.00 0.00 C ATOM 396 O LEU A 31 39.220 -5.493 -21.679 1.00 0.00 O ATOM 397 CB LEU A 31 36.578 -7.104 -21.659 1.00 0.00 C ATOM 398 CG LEU A 31 35.442 -7.217 -22.711 1.00 0.00 C ATOM 399 CD1 LEU A 31 34.812 -5.846 -22.940 1.00 0.00 C ATOM 400 CD2 LEU A 31 35.955 -7.748 -24.058 1.00 0.00 C ATOM 0 H LEU A 31 37.880 -9.349 -21.341 1.00 0.00 H new ATOM 0 HA LEU A 31 37.988 -7.115 -23.313 1.00 0.00 H new ATOM 0 HB2 LEU A 31 36.377 -7.785 -20.832 1.00 0.00 H new ATOM 0 HB3 LEU A 31 36.592 -6.096 -21.245 1.00 0.00 H new ATOM 0 HG LEU A 31 34.708 -7.920 -22.318 1.00 0.00 H new ATOM 0 HD11 LEU A 31 34.015 -5.931 -23.679 1.00 0.00 H new ATOM 0 HD12 LEU A 31 34.399 -5.474 -22.002 1.00 0.00 H new ATOM 0 HD13 LEU A 31 35.571 -5.153 -23.302 1.00 0.00 H new ATOM 0 HD21 LEU A 31 35.127 -7.811 -24.764 1.00 0.00 H new ATOM 0 HD22 LEU A 31 36.715 -7.072 -24.450 1.00 0.00 H new ATOM 0 HD23 LEU A 31 36.388 -8.738 -23.918 1.00 0.00 H new ATOM 412 N LYS A 32 39.733 -7.331 -20.610 1.00 0.00 N ATOM 413 CA LYS A 32 40.775 -6.597 -19.848 1.00 0.00 C ATOM 414 C LYS A 32 41.821 -6.038 -20.823 1.00 0.00 C ATOM 415 O LYS A 32 41.603 -5.023 -21.454 1.00 0.00 O ATOM 416 CB LYS A 32 41.451 -7.520 -18.828 1.00 0.00 C ATOM 417 CG LYS A 32 41.593 -8.925 -19.410 1.00 0.00 C ATOM 418 CD LYS A 32 40.690 -9.886 -18.635 1.00 0.00 C ATOM 419 CE LYS A 32 41.336 -10.215 -17.287 1.00 0.00 C ATOM 420 NZ LYS A 32 41.932 -11.580 -17.345 1.00 0.00 N ATOM 0 H LYS A 32 39.636 -8.322 -20.390 1.00 0.00 H new ATOM 0 HA LYS A 32 40.304 -5.776 -19.307 1.00 0.00 H new ATOM 0 HB2 LYS A 32 42.432 -7.126 -18.563 1.00 0.00 H new ATOM 0 HB3 LYS A 32 40.863 -7.555 -17.911 1.00 0.00 H new ATOM 0 HG2 LYS A 32 41.321 -8.923 -20.465 1.00 0.00 H new ATOM 0 HG3 LYS A 32 42.631 -9.253 -19.349 1.00 0.00 H new ATOM 0 HD2 LYS A 32 39.709 -9.436 -18.481 1.00 0.00 H new ATOM 0 HD3 LYS A 32 40.535 -10.800 -19.209 1.00 0.00 H new ATOM 0 HE2 LYS A 32 42.105 -9.480 -17.051 1.00 0.00 H new ATOM 0 HE3 LYS A 32 40.592 -10.164 -16.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 42.372 -11.806 -16.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 41.187 -12.276 -17.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 42.654 -11.612 -18.093 1.00 0.00 H new ATOM 434 N LYS A 33 42.956 -6.677 -20.958 1.00 0.00 N ATOM 435 CA LYS A 33 43.988 -6.143 -21.897 1.00 0.00 C ATOM 436 C LYS A 33 45.098 -7.170 -22.125 1.00 0.00 C ATOM 437 O LYS A 33 45.623 -7.305 -23.210 1.00 0.00 O ATOM 438 CB LYS A 33 44.609 -4.888 -21.290 1.00 0.00 C ATOM 439 CG LYS A 33 45.297 -5.247 -19.971 1.00 0.00 C ATOM 440 CD LYS A 33 45.686 -3.964 -19.232 1.00 0.00 C ATOM 441 CE LYS A 33 46.707 -3.187 -20.066 1.00 0.00 C ATOM 442 NZ LYS A 33 48.061 -3.780 -19.869 1.00 0.00 N ATOM 0 H LYS A 33 43.210 -7.534 -20.466 1.00 0.00 H new ATOM 0 HA LYS A 33 43.508 -5.919 -22.850 1.00 0.00 H new ATOM 0 HB2 LYS A 33 45.330 -4.455 -21.983 1.00 0.00 H new ATOM 0 HB3 LYS A 33 43.840 -4.135 -21.118 1.00 0.00 H new ATOM 0 HG2 LYS A 33 44.630 -5.848 -19.352 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.183 -5.851 -20.164 1.00 0.00 H new ATOM 0 HD2 LYS A 33 44.802 -3.351 -19.055 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.106 -4.207 -18.256 1.00 0.00 H new ATOM 0 HE2 LYS A 33 46.433 -3.221 -21.120 1.00 0.00 H new ATOM 0 HE3 LYS A 33 46.711 -2.138 -19.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 48.759 -3.243 -20.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 48.314 -3.741 -18.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 48.056 -4.770 -20.187 1.00 0.00 H new ATOM 456 N GLU A 34 45.470 -7.873 -21.101 1.00 0.00 N ATOM 457 CA GLU A 34 46.562 -8.876 -21.225 1.00 0.00 C ATOM 458 C GLU A 34 46.423 -9.643 -22.538 1.00 0.00 C ATOM 459 O GLU A 34 47.388 -10.136 -23.081 1.00 0.00 O ATOM 460 CB GLU A 34 46.481 -9.856 -20.055 1.00 0.00 C ATOM 461 CG GLU A 34 47.558 -9.507 -19.025 1.00 0.00 C ATOM 462 CD GLU A 34 48.365 -10.761 -18.686 1.00 0.00 C ATOM 463 OE1 GLU A 34 47.888 -11.844 -18.982 1.00 0.00 O ATOM 464 OE2 GLU A 34 49.445 -10.617 -18.139 1.00 0.00 O ATOM 0 H GLU A 34 45.061 -7.797 -20.170 1.00 0.00 H new ATOM 0 HA GLU A 34 47.523 -8.362 -21.213 1.00 0.00 H new ATOM 0 HB2 GLU A 34 45.494 -9.810 -19.595 1.00 0.00 H new ATOM 0 HB3 GLU A 34 46.620 -10.877 -20.411 1.00 0.00 H new ATOM 0 HG2 GLU A 34 48.217 -8.733 -19.420 1.00 0.00 H new ATOM 0 HG3 GLU A 34 47.097 -9.104 -18.123 1.00 0.00 H new ATOM 471 N ALA A 35 45.224 -9.792 -23.018 1.00 0.00 N ATOM 472 CA ALA A 35 45.013 -10.570 -24.268 1.00 0.00 C ATOM 473 C ALA A 35 44.599 -9.669 -25.429 1.00 0.00 C ATOM 474 O ALA A 35 45.239 -9.638 -26.457 1.00 0.00 O ATOM 475 CB ALA A 35 43.912 -11.604 -24.026 1.00 0.00 C ATOM 0 H ALA A 35 44.378 -9.408 -22.598 1.00 0.00 H new ATOM 0 HA ALA A 35 45.953 -11.054 -24.532 1.00 0.00 H new ATOM 0 HB1 ALA A 35 43.748 -12.181 -24.936 1.00 0.00 H new ATOM 0 HB2 ALA A 35 44.213 -12.274 -23.221 1.00 0.00 H new ATOM 0 HB3 ALA A 35 42.989 -11.095 -23.748 1.00 0.00 H new ATOM 481 N LEU A 36 43.509 -8.969 -25.295 1.00 0.00 N ATOM 482 CA LEU A 36 43.027 -8.098 -26.413 1.00 0.00 C ATOM 483 C LEU A 36 44.085 -7.055 -26.782 1.00 0.00 C ATOM 484 O LEU A 36 43.949 -6.350 -27.761 1.00 0.00 O ATOM 485 CB LEU A 36 41.721 -7.403 -26.012 1.00 0.00 C ATOM 486 CG LEU A 36 41.868 -6.765 -24.633 1.00 0.00 C ATOM 487 CD1 LEU A 36 41.004 -5.507 -24.559 1.00 0.00 C ATOM 488 CD2 LEU A 36 41.392 -7.745 -23.560 1.00 0.00 C ATOM 0 H LEU A 36 42.926 -8.959 -24.458 1.00 0.00 H new ATOM 0 HA LEU A 36 42.844 -8.726 -27.285 1.00 0.00 H new ATOM 0 HB2 LEU A 36 41.465 -6.641 -26.748 1.00 0.00 H new ATOM 0 HB3 LEU A 36 40.904 -8.125 -26.002 1.00 0.00 H new ATOM 0 HG LEU A 36 42.915 -6.512 -24.468 1.00 0.00 H new ATOM 0 HD11 LEU A 36 41.109 -5.051 -23.574 1.00 0.00 H new ATOM 0 HD12 LEU A 36 41.326 -4.799 -25.323 1.00 0.00 H new ATOM 0 HD13 LEU A 36 39.960 -5.772 -24.727 1.00 0.00 H new ATOM 0 HD21 LEU A 36 41.498 -7.287 -22.576 1.00 0.00 H new ATOM 0 HD22 LEU A 36 40.345 -7.994 -23.733 1.00 0.00 H new ATOM 0 HD23 LEU A 36 41.993 -8.653 -23.604 1.00 0.00 H new ATOM 500 N GLU A 37 45.142 -6.946 -26.028 1.00 0.00 N ATOM 501 CA GLU A 37 46.178 -5.954 -26.377 1.00 0.00 C ATOM 502 C GLU A 37 47.410 -6.668 -26.929 1.00 0.00 C ATOM 503 O GLU A 37 48.286 -6.061 -27.512 1.00 0.00 O ATOM 504 CB GLU A 37 46.528 -5.124 -25.155 1.00 0.00 C ATOM 505 CG GLU A 37 45.469 -4.041 -25.034 1.00 0.00 C ATOM 506 CD GLU A 37 46.080 -2.687 -25.405 1.00 0.00 C ATOM 507 OE1 GLU A 37 46.941 -2.227 -24.672 1.00 0.00 O ATOM 508 OE2 GLU A 37 45.677 -2.134 -26.414 1.00 0.00 O ATOM 0 H GLU A 37 45.327 -7.500 -25.192 1.00 0.00 H new ATOM 0 HA GLU A 37 45.798 -5.283 -27.147 1.00 0.00 H new ATOM 0 HB2 GLU A 37 46.548 -5.745 -24.260 1.00 0.00 H new ATOM 0 HB3 GLU A 37 47.520 -4.684 -25.259 1.00 0.00 H new ATOM 0 HG2 GLU A 37 44.628 -4.265 -25.690 1.00 0.00 H new ATOM 0 HG3 GLU A 37 45.080 -4.010 -24.016 1.00 0.00 H new ATOM 515 N GLN A 38 47.457 -7.962 -26.785 1.00 0.00 N ATOM 516 CA GLN A 38 48.583 -8.734 -27.332 1.00 0.00 C ATOM 517 C GLN A 38 48.263 -8.957 -28.793 1.00 0.00 C ATOM 518 O GLN A 38 49.104 -8.825 -29.660 1.00 0.00 O ATOM 519 CB GLN A 38 48.697 -10.068 -26.603 1.00 0.00 C ATOM 520 CG GLN A 38 48.926 -9.791 -25.122 1.00 0.00 C ATOM 521 CD GLN A 38 50.200 -8.962 -24.951 1.00 0.00 C ATOM 522 OE1 GLN A 38 51.073 -8.913 -25.921 1.00 0.00 O flip ATOM 523 NE2 GLN A 38 50.404 -8.348 -23.922 1.00 0.00 N flip ATOM 0 H GLN A 38 46.749 -8.516 -26.304 1.00 0.00 H new ATOM 0 HA GLN A 38 49.532 -8.211 -27.210 1.00 0.00 H new ATOM 0 HB2 GLN A 38 47.789 -10.655 -26.743 1.00 0.00 H new ATOM 0 HB3 GLN A 38 49.521 -10.653 -27.011 1.00 0.00 H new ATOM 0 HG2 GLN A 38 48.073 -9.257 -24.705 1.00 0.00 H new ATOM 0 HG3 GLN A 38 49.013 -10.729 -24.575 1.00 0.00 H new ATOM 0 HE21 GLN A 38 49.724 -8.385 -23.163 1.00 0.00 H new ATOM 0 HE22 GLN A 38 51.255 -7.796 -23.818 1.00 0.00 H new ATOM 532 N PHE A 39 47.020 -9.242 -29.077 1.00 0.00 N ATOM 533 CA PHE A 39 46.630 -9.407 -30.489 1.00 0.00 C ATOM 534 C PHE A 39 46.315 -8.028 -31.076 1.00 0.00 C ATOM 535 O PHE A 39 46.755 -7.688 -32.157 1.00 0.00 O ATOM 536 CB PHE A 39 45.411 -10.310 -30.661 1.00 0.00 C ATOM 537 CG PHE A 39 44.927 -10.920 -29.365 1.00 0.00 C ATOM 538 CD1 PHE A 39 45.511 -12.098 -28.887 1.00 0.00 C ATOM 539 CD2 PHE A 39 43.851 -10.345 -28.676 1.00 0.00 C ATOM 540 CE1 PHE A 39 45.022 -12.699 -27.721 1.00 0.00 C ATOM 541 CE2 PHE A 39 43.368 -10.941 -27.509 1.00 0.00 C ATOM 542 CZ PHE A 39 43.950 -12.120 -27.031 1.00 0.00 C ATOM 0 H PHE A 39 46.272 -9.365 -28.394 1.00 0.00 H new ATOM 0 HA PHE A 39 47.463 -9.881 -31.009 1.00 0.00 H new ATOM 0 HB2 PHE A 39 44.601 -9.733 -31.107 1.00 0.00 H new ATOM 0 HB3 PHE A 39 45.656 -11.109 -31.361 1.00 0.00 H new ATOM 0 HD1 PHE A 39 46.339 -12.544 -29.418 1.00 0.00 H new ATOM 0 HD2 PHE A 39 43.394 -9.440 -29.048 1.00 0.00 H new ATOM 0 HE1 PHE A 39 45.472 -13.610 -27.354 1.00 0.00 H new ATOM 0 HE2 PHE A 39 42.544 -10.491 -26.975 1.00 0.00 H new ATOM 0 HZ PHE A 39 43.573 -12.583 -26.131 1.00 0.00 H new ATOM 552 N GLY A 40 45.564 -7.226 -30.369 1.00 0.00 N ATOM 553 CA GLY A 40 45.227 -5.864 -30.885 1.00 0.00 C ATOM 554 C GLY A 40 43.706 -5.711 -30.989 1.00 0.00 C ATOM 555 O GLY A 40 43.096 -6.144 -31.946 1.00 0.00 O ATOM 0 H GLY A 40 45.169 -7.454 -29.457 1.00 0.00 H new ATOM 0 HA2 GLY A 40 45.634 -5.102 -30.220 1.00 0.00 H new ATOM 0 HA3 GLY A 40 45.685 -5.712 -31.862 1.00 0.00 H new ATOM 559 N MET A 41 43.092 -5.098 -30.012 1.00 0.00 N ATOM 560 CA MET A 41 41.609 -4.922 -30.053 1.00 0.00 C ATOM 561 C MET A 41 41.113 -4.406 -28.703 1.00 0.00 C ATOM 562 O MET A 41 40.062 -4.783 -28.226 1.00 0.00 O ATOM 563 CB MET A 41 40.939 -6.259 -30.351 1.00 0.00 C ATOM 564 CG MET A 41 41.737 -7.389 -29.708 1.00 0.00 C ATOM 565 SD MET A 41 42.236 -8.557 -30.999 1.00 0.00 S ATOM 566 CE MET A 41 40.580 -8.914 -31.634 1.00 0.00 C ATOM 0 H MET A 41 43.552 -4.712 -29.188 1.00 0.00 H new ATOM 0 HA MET A 41 41.359 -4.204 -30.835 1.00 0.00 H new ATOM 0 HB2 MET A 41 39.918 -6.258 -29.969 1.00 0.00 H new ATOM 0 HB3 MET A 41 40.876 -6.413 -31.428 1.00 0.00 H new ATOM 0 HG2 MET A 41 42.615 -6.990 -29.200 1.00 0.00 H new ATOM 0 HG3 MET A 41 41.135 -7.895 -28.953 1.00 0.00 H new ATOM 0 HE1 MET A 41 40.580 -9.888 -32.123 1.00 0.00 H new ATOM 0 HE2 MET A 41 39.868 -8.922 -30.809 1.00 0.00 H new ATOM 0 HE3 MET A 41 40.293 -8.147 -32.353 1.00 0.00 H new ATOM 576 N TYR A 42 41.868 -3.547 -28.088 1.00 0.00 N ATOM 577 CA TYR A 42 41.466 -2.993 -26.767 1.00 0.00 C ATOM 578 C TYR A 42 41.318 -1.477 -26.909 1.00 0.00 C ATOM 579 O TYR A 42 41.634 -0.719 -26.014 1.00 0.00 O ATOM 580 CB TYR A 42 42.571 -3.311 -25.762 1.00 0.00 C ATOM 581 CG TYR A 42 42.249 -2.691 -24.422 1.00 0.00 C ATOM 582 CD1 TYR A 42 40.921 -2.569 -24.000 1.00 0.00 C ATOM 583 CD2 TYR A 42 43.287 -2.228 -23.607 1.00 0.00 C ATOM 584 CE1 TYR A 42 40.631 -1.983 -22.761 1.00 0.00 C ATOM 585 CE2 TYR A 42 42.999 -1.645 -22.368 1.00 0.00 C ATOM 586 CZ TYR A 42 41.671 -1.521 -21.945 1.00 0.00 C ATOM 587 OH TYR A 42 41.387 -0.941 -20.726 1.00 0.00 O ATOM 0 H TYR A 42 42.757 -3.200 -28.447 1.00 0.00 H new ATOM 0 HA TYR A 42 40.524 -3.424 -26.428 1.00 0.00 H new ATOM 0 HB2 TYR A 42 42.677 -4.391 -25.656 1.00 0.00 H new ATOM 0 HB3 TYR A 42 43.525 -2.932 -26.127 1.00 0.00 H new ATOM 0 HD1 TYR A 42 40.119 -2.926 -24.629 1.00 0.00 H new ATOM 0 HD2 TYR A 42 44.312 -2.321 -23.934 1.00 0.00 H new ATOM 0 HE1 TYR A 42 39.606 -1.888 -22.435 1.00 0.00 H new ATOM 0 HE2 TYR A 42 43.802 -1.291 -21.738 1.00 0.00 H new ATOM 0 HH TYR A 42 42.220 -0.793 -20.232 1.00 0.00 H new ATOM 597 N SER A 43 40.894 -1.035 -28.060 1.00 0.00 N ATOM 598 CA SER A 43 40.784 0.430 -28.311 1.00 0.00 C ATOM 599 C SER A 43 39.324 0.858 -28.408 1.00 0.00 C ATOM 600 O SER A 43 38.424 0.046 -28.371 1.00 0.00 O ATOM 601 CB SER A 43 41.466 0.743 -29.634 1.00 0.00 C ATOM 602 OG SER A 43 42.486 1.709 -29.426 1.00 0.00 O ATOM 0 H SER A 43 40.617 -1.628 -28.842 1.00 0.00 H new ATOM 0 HA SER A 43 41.254 0.965 -27.486 1.00 0.00 H new ATOM 0 HB2 SER A 43 41.893 -0.166 -30.059 1.00 0.00 H new ATOM 0 HB3 SER A 43 40.736 1.118 -30.351 1.00 0.00 H new ATOM 0 HG SER A 43 42.926 1.909 -30.279 1.00 0.00 H new ATOM 608 N GLU A 44 39.086 2.130 -28.566 1.00 0.00 N ATOM 609 CA GLU A 44 37.694 2.613 -28.703 1.00 0.00 C ATOM 610 C GLU A 44 37.156 2.151 -30.051 1.00 0.00 C ATOM 611 O GLU A 44 36.342 1.266 -30.120 1.00 0.00 O ATOM 612 CB GLU A 44 37.669 4.142 -28.629 1.00 0.00 C ATOM 613 CG GLU A 44 37.130 4.574 -27.265 1.00 0.00 C ATOM 614 CD GLU A 44 37.345 6.078 -27.085 1.00 0.00 C ATOM 615 OE1 GLU A 44 38.240 6.609 -27.722 1.00 0.00 O ATOM 616 OE2 GLU A 44 36.613 6.673 -26.313 1.00 0.00 O ATOM 0 H GLU A 44 39.802 2.855 -28.606 1.00 0.00 H new ATOM 0 HA GLU A 44 37.076 2.214 -27.898 1.00 0.00 H new ATOM 0 HB2 GLU A 44 38.672 4.541 -28.779 1.00 0.00 H new ATOM 0 HB3 GLU A 44 37.043 4.546 -29.425 1.00 0.00 H new ATOM 0 HG2 GLU A 44 36.069 4.336 -27.189 1.00 0.00 H new ATOM 0 HG3 GLU A 44 37.637 4.026 -26.471 1.00 0.00 H new ATOM 623 N ASP A 45 37.606 2.735 -31.123 1.00 0.00 N ATOM 624 CA ASP A 45 37.114 2.322 -32.462 1.00 0.00 C ATOM 625 C ASP A 45 37.287 0.810 -32.657 1.00 0.00 C ATOM 626 O ASP A 45 36.465 0.162 -33.271 1.00 0.00 O ATOM 627 CB ASP A 45 37.895 3.064 -33.531 1.00 0.00 C ATOM 628 CG ASP A 45 37.177 2.932 -34.875 1.00 0.00 C ATOM 629 OD1 ASP A 45 36.079 2.400 -34.888 1.00 0.00 O ATOM 630 OD2 ASP A 45 37.739 3.364 -35.868 1.00 0.00 O ATOM 0 H ASP A 45 38.297 3.485 -31.129 1.00 0.00 H new ATOM 0 HA ASP A 45 36.054 2.564 -32.540 1.00 0.00 H new ATOM 0 HB2 ASP A 45 37.992 4.116 -33.261 1.00 0.00 H new ATOM 0 HB3 ASP A 45 38.904 2.659 -33.605 1.00 0.00 H new ATOM 635 N ALA A 46 38.348 0.243 -32.146 1.00 0.00 N ATOM 636 CA ALA A 46 38.569 -1.228 -32.307 1.00 0.00 C ATOM 637 C ALA A 46 37.461 -1.991 -31.588 1.00 0.00 C ATOM 638 O ALA A 46 36.556 -2.533 -32.189 1.00 0.00 O ATOM 639 CB ALA A 46 39.912 -1.604 -31.683 1.00 0.00 C ATOM 0 H ALA A 46 39.073 0.734 -31.623 1.00 0.00 H new ATOM 0 HA ALA A 46 38.564 -1.482 -33.367 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.079 -2.675 -31.797 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.711 -1.057 -32.183 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.905 -1.349 -30.623 1.00 0.00 H new ATOM 645 N ILE A 47 37.533 -2.015 -30.296 1.00 0.00 N ATOM 646 CA ILE A 47 36.505 -2.704 -29.482 1.00 0.00 C ATOM 647 C ILE A 47 35.116 -2.171 -29.863 1.00 0.00 C ATOM 648 O ILE A 47 34.103 -2.769 -29.569 1.00 0.00 O ATOM 649 CB ILE A 47 36.793 -2.341 -28.043 1.00 0.00 C ATOM 650 CG1 ILE A 47 38.119 -2.961 -27.591 1.00 0.00 C ATOM 651 CG2 ILE A 47 35.658 -2.765 -27.128 1.00 0.00 C ATOM 652 CD1 ILE A 47 38.338 -2.668 -26.108 1.00 0.00 C ATOM 0 H ILE A 47 38.278 -1.576 -29.756 1.00 0.00 H new ATOM 0 HA ILE A 47 36.525 -3.782 -29.640 1.00 0.00 H new ATOM 0 HB ILE A 47 36.878 -1.256 -27.979 1.00 0.00 H new ATOM 0 HG12 ILE A 47 38.107 -4.037 -27.762 1.00 0.00 H new ATOM 0 HG13 ILE A 47 38.942 -2.554 -28.179 1.00 0.00 H new ATOM 0 HG21 ILE A 47 35.897 -2.490 -26.101 1.00 0.00 H new ATOM 0 HG22 ILE A 47 34.739 -2.266 -27.433 1.00 0.00 H new ATOM 0 HG23 ILE A 47 35.523 -3.845 -27.192 1.00 0.00 H new ATOM 0 HD11 ILE A 47 39.281 -3.109 -25.785 1.00 0.00 H new ATOM 0 HD12 ILE A 47 38.369 -1.590 -25.951 1.00 0.00 H new ATOM 0 HD13 ILE A 47 37.520 -3.096 -25.528 1.00 0.00 H new ATOM 664 N ILE A 48 35.072 -1.032 -30.508 1.00 0.00 N ATOM 665 CA ILE A 48 33.766 -0.430 -30.908 1.00 0.00 C ATOM 666 C ILE A 48 33.277 -1.109 -32.188 1.00 0.00 C ATOM 667 O ILE A 48 32.099 -1.285 -32.395 1.00 0.00 O ATOM 668 CB ILE A 48 33.956 1.078 -31.138 1.00 0.00 C ATOM 669 CG1 ILE A 48 33.900 1.811 -29.796 1.00 0.00 C ATOM 670 CG2 ILE A 48 32.849 1.622 -32.032 1.00 0.00 C ATOM 671 CD1 ILE A 48 34.386 3.249 -29.980 1.00 0.00 C ATOM 0 H ILE A 48 35.893 -0.490 -30.776 1.00 0.00 H new ATOM 0 HA ILE A 48 33.024 -0.576 -30.123 1.00 0.00 H new ATOM 0 HB ILE A 48 34.922 1.236 -31.617 1.00 0.00 H new ATOM 0 HG12 ILE A 48 32.881 1.807 -29.410 1.00 0.00 H new ATOM 0 HG13 ILE A 48 34.521 1.297 -29.062 1.00 0.00 H new ATOM 0 HG21 ILE A 48 32.998 2.691 -32.185 1.00 0.00 H new ATOM 0 HG22 ILE A 48 32.874 1.110 -32.994 1.00 0.00 H new ATOM 0 HG23 ILE A 48 31.882 1.455 -31.557 1.00 0.00 H new ATOM 0 HD11 ILE A 48 34.346 3.772 -29.024 1.00 0.00 H new ATOM 0 HD12 ILE A 48 35.412 3.242 -30.347 1.00 0.00 H new ATOM 0 HD13 ILE A 48 33.746 3.760 -30.700 1.00 0.00 H new ATOM 683 N TYR A 49 34.177 -1.500 -33.043 1.00 0.00 N ATOM 684 CA TYR A 49 33.768 -2.187 -34.297 1.00 0.00 C ATOM 685 C TYR A 49 33.312 -3.606 -33.948 1.00 0.00 C ATOM 686 O TYR A 49 32.559 -4.224 -34.672 1.00 0.00 O ATOM 687 CB TYR A 49 34.953 -2.256 -35.259 1.00 0.00 C ATOM 688 CG TYR A 49 34.607 -3.189 -36.389 1.00 0.00 C ATOM 689 CD1 TYR A 49 33.724 -2.772 -37.389 1.00 0.00 C ATOM 690 CD2 TYR A 49 35.159 -4.473 -36.430 1.00 0.00 C ATOM 691 CE1 TYR A 49 33.392 -3.636 -38.433 1.00 0.00 C ATOM 692 CE2 TYR A 49 34.828 -5.341 -37.476 1.00 0.00 C ATOM 693 CZ TYR A 49 33.944 -4.922 -38.479 1.00 0.00 C ATOM 694 OH TYR A 49 33.620 -5.775 -39.514 1.00 0.00 O ATOM 0 H TYR A 49 35.182 -1.373 -32.927 1.00 0.00 H new ATOM 0 HA TYR A 49 32.956 -1.637 -34.773 1.00 0.00 H new ATOM 0 HB2 TYR A 49 35.183 -1.263 -35.646 1.00 0.00 H new ATOM 0 HB3 TYR A 49 35.843 -2.609 -34.737 1.00 0.00 H new ATOM 0 HD1 TYR A 49 33.298 -1.780 -37.354 1.00 0.00 H new ATOM 0 HD2 TYR A 49 35.840 -4.794 -35.655 1.00 0.00 H new ATOM 0 HE1 TYR A 49 32.710 -3.313 -39.205 1.00 0.00 H new ATOM 0 HE2 TYR A 49 35.253 -6.333 -37.510 1.00 0.00 H new ATOM 0 HH TYR A 49 34.373 -6.378 -39.689 1.00 0.00 H new ATOM 704 N GLN A 50 33.760 -4.126 -32.838 1.00 0.00 N ATOM 705 CA GLN A 50 33.326 -5.509 -32.449 1.00 0.00 C ATOM 706 C GLN A 50 31.991 -5.431 -31.694 1.00 0.00 C ATOM 707 O GLN A 50 31.164 -6.310 -31.791 1.00 0.00 O ATOM 708 CB GLN A 50 34.368 -6.217 -31.564 1.00 0.00 C ATOM 709 CG GLN A 50 35.300 -5.201 -30.928 1.00 0.00 C ATOM 710 CD GLN A 50 36.531 -5.024 -31.819 1.00 0.00 C ATOM 711 OE1 GLN A 50 37.616 -4.774 -31.333 1.00 0.00 O ATOM 712 NE2 GLN A 50 36.406 -5.143 -33.112 1.00 0.00 N ATOM 0 H GLN A 50 34.398 -3.666 -32.189 1.00 0.00 H new ATOM 0 HA GLN A 50 33.216 -6.090 -33.365 1.00 0.00 H new ATOM 0 HB2 GLN A 50 33.864 -6.793 -30.788 1.00 0.00 H new ATOM 0 HB3 GLN A 50 34.943 -6.923 -32.163 1.00 0.00 H new ATOM 0 HG2 GLN A 50 34.787 -4.248 -30.802 1.00 0.00 H new ATOM 0 HG3 GLN A 50 35.600 -5.536 -29.935 1.00 0.00 H new ATOM 0 HE21 GLN A 50 35.495 -5.353 -33.519 1.00 0.00 H new ATOM 0 HE22 GLN A 50 37.220 -5.026 -33.716 1.00 0.00 H new ATOM 721 N VAL A 51 31.781 -4.385 -30.939 1.00 0.00 N ATOM 722 CA VAL A 51 30.503 -4.245 -30.166 1.00 0.00 C ATOM 723 C VAL A 51 29.380 -3.745 -31.069 1.00 0.00 C ATOM 724 O VAL A 51 28.231 -4.126 -30.933 1.00 0.00 O ATOM 725 CB VAL A 51 30.709 -3.219 -29.055 1.00 0.00 C ATOM 726 CG1 VAL A 51 29.534 -3.283 -28.077 1.00 0.00 C ATOM 727 CG2 VAL A 51 32.010 -3.521 -28.310 1.00 0.00 C ATOM 0 H VAL A 51 32.441 -3.616 -30.821 1.00 0.00 H new ATOM 0 HA VAL A 51 30.234 -5.219 -29.758 1.00 0.00 H new ATOM 0 HB VAL A 51 30.766 -2.222 -29.491 1.00 0.00 H new ATOM 0 HG11 VAL A 51 29.681 -2.550 -27.283 1.00 0.00 H new ATOM 0 HG12 VAL A 51 28.607 -3.063 -28.607 1.00 0.00 H new ATOM 0 HG13 VAL A 51 29.476 -4.281 -27.643 1.00 0.00 H new ATOM 0 HG21 VAL A 51 32.154 -2.787 -27.517 1.00 0.00 H new ATOM 0 HG22 VAL A 51 31.957 -4.519 -27.875 1.00 0.00 H new ATOM 0 HG23 VAL A 51 32.847 -3.473 -29.006 1.00 0.00 H new ATOM 737 N GLN A 52 29.699 -2.881 -31.976 1.00 0.00 N ATOM 738 CA GLN A 52 28.658 -2.334 -32.865 1.00 0.00 C ATOM 739 C GLN A 52 28.216 -3.392 -33.857 1.00 0.00 C ATOM 740 O GLN A 52 27.199 -3.251 -34.506 1.00 0.00 O ATOM 741 CB GLN A 52 29.212 -1.141 -33.616 1.00 0.00 C ATOM 742 CG GLN A 52 28.641 0.149 -33.021 1.00 0.00 C ATOM 743 CD GLN A 52 29.649 0.755 -32.044 1.00 0.00 C ATOM 744 OE1 GLN A 52 30.036 1.898 -32.185 1.00 0.00 O ATOM 745 NE2 GLN A 52 30.092 0.034 -31.051 1.00 0.00 N ATOM 0 H GLN A 52 30.642 -2.528 -32.140 1.00 0.00 H new ATOM 0 HA GLN A 52 27.802 -2.026 -32.265 1.00 0.00 H new ATOM 0 HB2 GLN A 52 30.300 -1.132 -33.553 1.00 0.00 H new ATOM 0 HB3 GLN A 52 28.954 -1.212 -34.673 1.00 0.00 H new ATOM 0 HG2 GLN A 52 28.418 0.860 -33.816 1.00 0.00 H new ATOM 0 HG3 GLN A 52 27.702 -0.060 -32.508 1.00 0.00 H new ATOM 0 HE21 GLN A 52 29.767 -0.926 -30.933 1.00 0.00 H new ATOM 0 HE22 GLN A 52 30.763 0.430 -30.393 1.00 0.00 H new ATOM 754 N HIS A 53 28.955 -4.457 -33.996 1.00 0.00 N ATOM 755 CA HIS A 53 28.525 -5.482 -34.957 1.00 0.00 C ATOM 756 C HIS A 53 29.189 -6.795 -34.607 1.00 0.00 C ATOM 757 O HIS A 53 29.485 -7.595 -35.471 1.00 0.00 O ATOM 758 CB HIS A 53 28.940 -5.117 -36.369 1.00 0.00 C ATOM 759 CG HIS A 53 29.378 -3.676 -36.468 1.00 0.00 C ATOM 760 ND1 HIS A 53 30.248 -2.923 -35.719 1.00 0.00 N flip ATOM 761 CD2 HIS A 53 28.921 -2.836 -37.473 1.00 0.00 C flip ATOM 762 CE1 HIS A 53 30.336 -1.640 -36.250 1.00 0.00 C flip ATOM 763 NE2 HIS A 53 29.517 -1.642 -37.304 1.00 0.00 N flip ATOM 0 H HIS A 53 29.820 -4.651 -33.492 1.00 0.00 H new ATOM 0 HA HIS A 53 27.439 -5.558 -34.908 1.00 0.00 H new ATOM 0 HB2 HIS A 53 29.754 -5.767 -36.688 1.00 0.00 H new ATOM 0 HB3 HIS A 53 28.107 -5.292 -37.050 1.00 0.00 H new ATOM 0 HD1 HIS A 53 30.754 -3.254 -34.897 1.00 0.00 H new ATOM 0 HD2 HIS A 53 28.216 -3.094 -38.249 1.00 0.00 H new ATOM 0 HE1 HIS A 53 30.937 -0.819 -35.888 1.00 0.00 H new ATOM 771 N GLY A 54 29.442 -7.029 -33.353 1.00 0.00 N ATOM 772 CA GLY A 54 30.103 -8.293 -32.989 1.00 0.00 C ATOM 773 C GLY A 54 31.292 -8.476 -33.909 1.00 0.00 C ATOM 774 O GLY A 54 32.025 -7.555 -34.197 1.00 0.00 O ATOM 0 H GLY A 54 29.220 -6.404 -32.578 1.00 0.00 H new ATOM 0 HA2 GLY A 54 30.426 -8.269 -31.948 1.00 0.00 H new ATOM 0 HA3 GLY A 54 29.410 -9.129 -33.089 1.00 0.00 H new ATOM 778 N LYS A 55 31.441 -9.662 -34.368 1.00 0.00 N ATOM 779 CA LYS A 55 32.548 -10.026 -35.301 1.00 0.00 C ATOM 780 C LYS A 55 32.886 -11.502 -35.115 1.00 0.00 C ATOM 781 O LYS A 55 33.002 -11.987 -34.007 1.00 0.00 O ATOM 782 CB LYS A 55 33.795 -9.179 -35.024 1.00 0.00 C ATOM 783 CG LYS A 55 34.028 -8.165 -36.162 1.00 0.00 C ATOM 784 CD LYS A 55 32.704 -7.696 -36.789 1.00 0.00 C ATOM 785 CE LYS A 55 32.563 -8.300 -38.188 1.00 0.00 C ATOM 786 NZ LYS A 55 31.250 -8.997 -38.296 1.00 0.00 N ATOM 0 H LYS A 55 30.823 -10.439 -34.134 1.00 0.00 H new ATOM 0 HA LYS A 55 32.224 -9.837 -36.325 1.00 0.00 H new ATOM 0 HB2 LYS A 55 33.679 -8.651 -34.078 1.00 0.00 H new ATOM 0 HB3 LYS A 55 34.666 -9.827 -34.923 1.00 0.00 H new ATOM 0 HG2 LYS A 55 34.572 -7.303 -35.775 1.00 0.00 H new ATOM 0 HG3 LYS A 55 34.654 -8.619 -36.931 1.00 0.00 H new ATOM 0 HD2 LYS A 55 31.865 -8.000 -36.163 1.00 0.00 H new ATOM 0 HD3 LYS A 55 32.681 -6.608 -36.847 1.00 0.00 H new ATOM 0 HE2 LYS A 55 32.635 -7.517 -38.943 1.00 0.00 H new ATOM 0 HE3 LYS A 55 33.376 -9.001 -38.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 31.397 -10.025 -38.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 30.630 -8.691 -37.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 30.806 -8.762 -39.207 1.00 0.00 H new ATOM 800 N ASN A 56 33.031 -12.221 -36.190 1.00 0.00 N ATOM 801 CA ASN A 56 33.347 -13.670 -36.078 1.00 0.00 C ATOM 802 C ASN A 56 32.221 -14.367 -35.312 1.00 0.00 C ATOM 803 O ASN A 56 31.262 -14.840 -35.889 1.00 0.00 O ATOM 804 CB ASN A 56 34.666 -13.854 -35.327 1.00 0.00 C ATOM 805 CG ASN A 56 35.825 -13.382 -36.206 1.00 0.00 C ATOM 806 OD1 ASN A 56 36.390 -14.156 -36.954 1.00 0.00 O ATOM 807 ND2 ASN A 56 36.208 -12.136 -36.145 1.00 0.00 N ATOM 0 H ASN A 56 32.944 -11.868 -37.143 1.00 0.00 H new ATOM 0 HA ASN A 56 33.440 -14.103 -37.074 1.00 0.00 H new ATOM 0 HB2 ASN A 56 34.648 -13.288 -34.396 1.00 0.00 H new ATOM 0 HB3 ASN A 56 34.802 -14.902 -35.060 1.00 0.00 H new ATOM 0 HD21 ASN A 56 36.982 -11.811 -36.725 1.00 0.00 H new ATOM 0 HD22 ASN A 56 35.734 -11.487 -35.517 1.00 0.00 H new ATOM 814 N ALA A 57 32.326 -14.422 -34.012 1.00 0.00 N ATOM 815 CA ALA A 57 31.260 -15.075 -33.200 1.00 0.00 C ATOM 816 C ALA A 57 30.780 -14.097 -32.124 1.00 0.00 C ATOM 817 O ALA A 57 30.562 -14.462 -30.986 1.00 0.00 O ATOM 818 CB ALA A 57 31.823 -16.334 -32.539 1.00 0.00 C ATOM 0 H ALA A 57 33.106 -14.042 -33.476 1.00 0.00 H new ATOM 0 HA ALA A 57 30.423 -15.351 -33.842 1.00 0.00 H new ATOM 0 HB1 ALA A 57 31.044 -16.812 -31.945 1.00 0.00 H new ATOM 0 HB2 ALA A 57 32.169 -17.025 -33.308 1.00 0.00 H new ATOM 0 HB3 ALA A 57 32.658 -16.063 -31.892 1.00 0.00 H new ATOM 824 N MET A 58 30.622 -12.851 -32.481 1.00 0.00 N ATOM 825 CA MET A 58 30.165 -11.829 -31.494 1.00 0.00 C ATOM 826 C MET A 58 28.831 -11.235 -31.978 1.00 0.00 C ATOM 827 O MET A 58 28.617 -11.093 -33.165 1.00 0.00 O ATOM 828 CB MET A 58 31.246 -10.753 -31.388 1.00 0.00 C ATOM 829 CG MET A 58 30.925 -9.770 -30.269 1.00 0.00 C ATOM 830 SD MET A 58 32.251 -8.545 -30.170 1.00 0.00 S ATOM 831 CE MET A 58 31.293 -7.228 -29.393 1.00 0.00 C ATOM 0 H MET A 58 30.791 -12.494 -33.421 1.00 0.00 H new ATOM 0 HA MET A 58 30.006 -12.269 -30.509 1.00 0.00 H new ATOM 0 HB2 MET A 58 32.213 -11.220 -31.201 1.00 0.00 H new ATOM 0 HB3 MET A 58 31.328 -10.219 -32.335 1.00 0.00 H new ATOM 0 HG2 MET A 58 29.971 -9.279 -30.461 1.00 0.00 H new ATOM 0 HG3 MET A 58 30.827 -10.297 -29.320 1.00 0.00 H new ATOM 0 HE1 MET A 58 31.899 -6.324 -29.334 1.00 0.00 H new ATOM 0 HE2 MET A 58 30.400 -7.029 -29.986 1.00 0.00 H new ATOM 0 HE3 MET A 58 31.000 -7.535 -28.389 1.00 0.00 H new ATOM 841 N PRO A 59 27.958 -10.949 -31.042 1.00 0.00 N ATOM 842 CA PRO A 59 26.609 -10.420 -31.336 1.00 0.00 C ATOM 843 C PRO A 59 26.587 -8.940 -31.748 1.00 0.00 C ATOM 844 O PRO A 59 26.607 -8.048 -30.922 1.00 0.00 O ATOM 845 CB PRO A 59 25.850 -10.642 -30.024 1.00 0.00 C ATOM 846 CG PRO A 59 26.909 -10.774 -28.911 1.00 0.00 C ATOM 847 CD PRO A 59 28.235 -11.129 -29.600 1.00 0.00 C ATOM 0 HA PRO A 59 26.169 -10.924 -32.197 1.00 0.00 H new ATOM 0 HB2 PRO A 59 25.178 -9.808 -29.821 1.00 0.00 H new ATOM 0 HB3 PRO A 59 25.235 -11.540 -30.081 1.00 0.00 H new ATOM 0 HG2 PRO A 59 27.001 -9.843 -28.352 1.00 0.00 H new ATOM 0 HG3 PRO A 59 26.625 -11.547 -28.197 1.00 0.00 H new ATOM 0 HD2 PRO A 59 29.043 -10.478 -29.266 1.00 0.00 H new ATOM 0 HD3 PRO A 59 28.537 -12.152 -29.378 1.00 0.00 H new ATOM 855 N ALA A 60 26.502 -8.687 -33.033 1.00 0.00 N ATOM 856 CA ALA A 60 26.426 -7.297 -33.549 1.00 0.00 C ATOM 857 C ALA A 60 25.235 -6.564 -32.935 1.00 0.00 C ATOM 858 O ALA A 60 24.096 -6.938 -33.134 1.00 0.00 O ATOM 859 CB ALA A 60 26.232 -7.371 -35.067 1.00 0.00 C ATOM 0 H ALA A 60 26.482 -9.407 -33.755 1.00 0.00 H new ATOM 0 HA ALA A 60 27.338 -6.759 -33.292 1.00 0.00 H new ATOM 0 HB1 ALA A 60 26.172 -6.362 -35.476 1.00 0.00 H new ATOM 0 HB2 ALA A 60 27.075 -7.895 -35.516 1.00 0.00 H new ATOM 0 HB3 ALA A 60 25.310 -7.908 -35.290 1.00 0.00 H new ATOM 865 N PHE A 61 25.482 -5.506 -32.209 1.00 0.00 N ATOM 866 CA PHE A 61 24.370 -4.751 -31.619 1.00 0.00 C ATOM 867 C PHE A 61 23.868 -3.755 -32.658 1.00 0.00 C ATOM 868 O PHE A 61 22.696 -3.706 -32.970 1.00 0.00 O ATOM 869 CB PHE A 61 24.871 -4.019 -30.375 1.00 0.00 C ATOM 870 CG PHE A 61 25.248 -5.049 -29.339 1.00 0.00 C ATOM 871 CD1 PHE A 61 26.382 -5.848 -29.530 1.00 0.00 C ATOM 872 CD2 PHE A 61 24.458 -5.217 -28.198 1.00 0.00 C ATOM 873 CE1 PHE A 61 26.726 -6.814 -28.581 1.00 0.00 C ATOM 874 CE2 PHE A 61 24.803 -6.185 -27.246 1.00 0.00 C ATOM 875 CZ PHE A 61 25.937 -6.983 -27.440 1.00 0.00 C ATOM 0 H PHE A 61 26.413 -5.141 -32.006 1.00 0.00 H new ATOM 0 HA PHE A 61 23.556 -5.416 -31.329 1.00 0.00 H new ATOM 0 HB2 PHE A 61 25.731 -3.396 -30.621 1.00 0.00 H new ATOM 0 HB3 PHE A 61 24.098 -3.356 -29.987 1.00 0.00 H new ATOM 0 HD1 PHE A 61 26.991 -5.717 -30.412 1.00 0.00 H new ATOM 0 HD2 PHE A 61 23.583 -4.601 -28.051 1.00 0.00 H new ATOM 0 HE1 PHE A 61 27.601 -7.430 -28.729 1.00 0.00 H new ATOM 0 HE2 PHE A 61 24.195 -6.316 -26.363 1.00 0.00 H new ATOM 0 HZ PHE A 61 26.202 -7.730 -26.707 1.00 0.00 H new ATOM 885 N ALA A 62 24.764 -2.972 -33.206 1.00 0.00 N ATOM 886 CA ALA A 62 24.370 -1.968 -34.240 1.00 0.00 C ATOM 887 C ALA A 62 23.013 -1.364 -33.880 1.00 0.00 C ATOM 888 O ALA A 62 22.256 -0.952 -34.736 1.00 0.00 O ATOM 889 CB ALA A 62 24.277 -2.653 -35.606 1.00 0.00 C ATOM 0 H ALA A 62 25.758 -2.986 -32.979 1.00 0.00 H new ATOM 0 HA ALA A 62 25.119 -1.177 -34.279 1.00 0.00 H new ATOM 0 HB1 ALA A 62 23.990 -1.921 -36.361 1.00 0.00 H new ATOM 0 HB2 ALA A 62 25.245 -3.081 -35.865 1.00 0.00 H new ATOM 0 HB3 ALA A 62 23.530 -3.445 -35.566 1.00 0.00 H new ATOM 895 N GLY A 63 22.697 -1.321 -32.616 1.00 0.00 N ATOM 896 CA GLY A 63 21.388 -0.762 -32.193 1.00 0.00 C ATOM 897 C GLY A 63 20.682 -1.792 -31.317 1.00 0.00 C ATOM 898 O GLY A 63 19.471 -1.892 -31.301 1.00 0.00 O ATOM 0 H GLY A 63 23.293 -1.651 -31.857 1.00 0.00 H new ATOM 0 HA2 GLY A 63 21.533 0.168 -31.643 1.00 0.00 H new ATOM 0 HA3 GLY A 63 20.778 -0.524 -33.065 1.00 0.00 H new ATOM 902 N ARG A 64 21.440 -2.549 -30.574 1.00 0.00 N ATOM 903 CA ARG A 64 20.844 -3.565 -29.681 1.00 0.00 C ATOM 904 C ARG A 64 20.880 -2.962 -28.291 1.00 0.00 C ATOM 905 O ARG A 64 19.874 -2.826 -27.624 1.00 0.00 O ATOM 906 CB ARG A 64 21.688 -4.834 -29.757 1.00 0.00 C ATOM 907 CG ARG A 64 21.309 -5.800 -28.644 1.00 0.00 C ATOM 908 CD ARG A 64 22.280 -6.973 -28.695 1.00 0.00 C ATOM 909 NE ARG A 64 21.578 -8.178 -29.223 1.00 0.00 N ATOM 910 CZ ARG A 64 20.769 -8.850 -28.451 1.00 0.00 C ATOM 911 NH1 ARG A 64 21.244 -9.750 -27.634 1.00 0.00 N ATOM 912 NH2 ARG A 64 19.483 -8.626 -28.496 1.00 0.00 N ATOM 0 H ARG A 64 22.459 -2.502 -30.552 1.00 0.00 H new ATOM 0 HA ARG A 64 19.823 -3.829 -29.955 1.00 0.00 H new ATOM 0 HB2 ARG A 64 21.546 -5.314 -30.725 1.00 0.00 H new ATOM 0 HB3 ARG A 64 22.745 -4.579 -29.680 1.00 0.00 H new ATOM 0 HG2 ARG A 64 21.359 -5.304 -27.674 1.00 0.00 H new ATOM 0 HG3 ARG A 64 20.284 -6.147 -28.772 1.00 0.00 H new ATOM 0 HD2 ARG A 64 23.131 -6.727 -29.331 1.00 0.00 H new ATOM 0 HD3 ARG A 64 22.674 -7.176 -27.699 1.00 0.00 H new ATOM 0 HE ARG A 64 21.730 -8.476 -30.186 1.00 0.00 H new ATOM 0 HH11 ARG A 64 22.248 -9.928 -27.599 1.00 0.00 H new ATOM 0 HH12 ARG A 64 20.612 -10.275 -27.030 1.00 0.00 H new ATOM 0 HH21 ARG A 64 19.110 -7.925 -29.136 1.00 0.00 H new ATOM 0 HH22 ARG A 64 18.852 -9.152 -27.892 1.00 0.00 H new ATOM 926 N LEU A 65 22.037 -2.522 -27.889 1.00 0.00 N ATOM 927 CA LEU A 65 22.148 -1.834 -26.581 1.00 0.00 C ATOM 928 C LEU A 65 21.670 -0.399 -26.809 1.00 0.00 C ATOM 929 O LEU A 65 20.752 -0.156 -27.567 1.00 0.00 O ATOM 930 CB LEU A 65 23.604 -1.857 -26.096 1.00 0.00 C ATOM 931 CG LEU A 65 24.013 -3.292 -25.762 1.00 0.00 C ATOM 932 CD1 LEU A 65 25.492 -3.490 -26.101 1.00 0.00 C ATOM 933 CD2 LEU A 65 23.793 -3.546 -24.268 1.00 0.00 C ATOM 0 H LEU A 65 22.909 -2.610 -28.411 1.00 0.00 H new ATOM 0 HA LEU A 65 21.547 -2.325 -25.815 1.00 0.00 H new ATOM 0 HB2 LEU A 65 24.260 -1.451 -26.866 1.00 0.00 H new ATOM 0 HB3 LEU A 65 23.715 -1.223 -25.216 1.00 0.00 H new ATOM 0 HG LEU A 65 23.410 -3.990 -26.343 1.00 0.00 H new ATOM 0 HD11 LEU A 65 25.786 -4.512 -25.864 1.00 0.00 H new ATOM 0 HD12 LEU A 65 25.650 -3.304 -27.163 1.00 0.00 H new ATOM 0 HD13 LEU A 65 26.095 -2.794 -25.518 1.00 0.00 H new ATOM 0 HD21 LEU A 65 24.084 -4.568 -24.026 1.00 0.00 H new ATOM 0 HD22 LEU A 65 24.398 -2.850 -23.688 1.00 0.00 H new ATOM 0 HD23 LEU A 65 22.740 -3.401 -24.025 1.00 0.00 H new ATOM 945 N THR A 66 22.274 0.542 -26.175 1.00 0.00 N ATOM 946 CA THR A 66 21.855 1.962 -26.365 1.00 0.00 C ATOM 947 C THR A 66 22.790 2.640 -27.365 1.00 0.00 C ATOM 948 O THR A 66 23.561 1.994 -28.043 1.00 0.00 O ATOM 949 CB THR A 66 21.907 2.707 -25.026 1.00 0.00 C ATOM 950 OG1 THR A 66 21.990 1.768 -23.963 1.00 0.00 O ATOM 951 CG2 THR A 66 20.639 3.538 -24.877 1.00 0.00 C ATOM 0 H THR A 66 23.048 0.402 -25.525 1.00 0.00 H new ATOM 0 HA THR A 66 20.834 1.986 -26.746 1.00 0.00 H new ATOM 0 HB THR A 66 22.781 3.358 -24.996 1.00 0.00 H new ATOM 0 HG1 THR A 66 21.429 2.067 -23.218 1.00 0.00 H new ATOM 0 HG21 THR A 66 20.664 4.073 -23.928 1.00 0.00 H new ATOM 0 HG22 THR A 66 20.575 4.255 -25.696 1.00 0.00 H new ATOM 0 HG23 THR A 66 19.769 2.882 -24.901 1.00 0.00 H new ATOM 959 N ASP A 67 22.738 3.939 -27.455 1.00 0.00 N ATOM 960 CA ASP A 67 23.630 4.649 -28.397 1.00 0.00 C ATOM 961 C ASP A 67 24.922 4.970 -27.660 1.00 0.00 C ATOM 962 O ASP A 67 25.985 4.477 -27.987 1.00 0.00 O ATOM 963 CB ASP A 67 22.962 5.945 -28.865 1.00 0.00 C ATOM 964 CG ASP A 67 22.593 5.823 -30.344 1.00 0.00 C ATOM 965 OD1 ASP A 67 23.148 4.962 -31.005 1.00 0.00 O ATOM 966 OD2 ASP A 67 21.759 6.595 -30.791 1.00 0.00 O ATOM 0 H ASP A 67 22.113 4.536 -26.913 1.00 0.00 H new ATOM 0 HA ASP A 67 23.834 4.030 -29.271 1.00 0.00 H new ATOM 0 HB2 ASP A 67 22.069 6.141 -28.271 1.00 0.00 H new ATOM 0 HB3 ASP A 67 23.636 6.789 -28.716 1.00 0.00 H new ATOM 971 N GLU A 68 24.818 5.763 -26.632 1.00 0.00 N ATOM 972 CA GLU A 68 26.012 6.113 -25.818 1.00 0.00 C ATOM 973 C GLU A 68 26.449 4.894 -25.004 1.00 0.00 C ATOM 974 O GLU A 68 27.370 4.965 -24.232 1.00 0.00 O ATOM 975 CB GLU A 68 25.637 7.235 -24.858 1.00 0.00 C ATOM 976 CG GLU A 68 26.824 7.543 -23.941 1.00 0.00 C ATOM 977 CD GLU A 68 26.803 9.025 -23.559 1.00 0.00 C ATOM 978 OE1 GLU A 68 25.720 9.558 -23.392 1.00 0.00 O ATOM 979 OE2 GLU A 68 27.873 9.599 -23.440 1.00 0.00 O ATOM 0 H GLU A 68 23.946 6.188 -26.318 1.00 0.00 H new ATOM 0 HA GLU A 68 26.825 6.428 -26.472 1.00 0.00 H new ATOM 0 HB2 GLU A 68 25.355 8.127 -25.417 1.00 0.00 H new ATOM 0 HB3 GLU A 68 24.771 6.945 -24.264 1.00 0.00 H new ATOM 0 HG2 GLU A 68 26.775 6.925 -23.045 1.00 0.00 H new ATOM 0 HG3 GLU A 68 27.759 7.300 -24.445 1.00 0.00 H new ATOM 986 N GLN A 69 25.786 3.783 -25.175 1.00 0.00 N ATOM 987 CA GLN A 69 26.136 2.540 -24.428 1.00 0.00 C ATOM 988 C GLN A 69 26.866 1.619 -25.392 1.00 0.00 C ATOM 989 O GLN A 69 27.766 0.907 -25.022 1.00 0.00 O ATOM 990 CB GLN A 69 24.851 1.884 -23.945 1.00 0.00 C ATOM 991 CG GLN A 69 24.453 2.448 -22.581 1.00 0.00 C ATOM 992 CD GLN A 69 24.473 3.957 -22.683 1.00 0.00 C ATOM 993 OE1 GLN A 69 25.597 4.585 -22.521 1.00 0.00 O flip ATOM 994 NE2 GLN A 69 23.454 4.579 -22.914 1.00 0.00 N flip ATOM 0 H GLN A 69 24.999 3.682 -25.816 1.00 0.00 H new ATOM 0 HA GLN A 69 26.768 2.755 -23.566 1.00 0.00 H new ATOM 0 HB2 GLN A 69 24.052 2.057 -24.666 1.00 0.00 H new ATOM 0 HB3 GLN A 69 24.989 0.805 -23.875 1.00 0.00 H new ATOM 0 HG2 GLN A 69 23.461 2.097 -22.297 1.00 0.00 H new ATOM 0 HG3 GLN A 69 25.144 2.108 -21.810 1.00 0.00 H new ATOM 0 HE21 GLN A 69 22.572 4.083 -23.041 1.00 0.00 H new ATOM 0 HE22 GLN A 69 23.482 5.596 -22.981 1.00 0.00 H new ATOM 1003 N ILE A 70 26.527 1.674 -26.649 1.00 0.00 N ATOM 1004 CA ILE A 70 27.277 0.851 -27.631 1.00 0.00 C ATOM 1005 C ILE A 70 28.633 1.535 -27.774 1.00 0.00 C ATOM 1006 O ILE A 70 29.623 0.954 -28.173 1.00 0.00 O ATOM 1007 CB ILE A 70 26.551 0.847 -28.979 1.00 0.00 C ATOM 1008 CG1 ILE A 70 25.369 -0.119 -28.916 1.00 0.00 C ATOM 1009 CG2 ILE A 70 27.512 0.394 -30.079 1.00 0.00 C ATOM 1010 CD1 ILE A 70 25.874 -1.506 -28.519 1.00 0.00 C ATOM 0 H ILE A 70 25.774 2.245 -27.033 1.00 0.00 H new ATOM 0 HA ILE A 70 27.371 -0.185 -27.307 1.00 0.00 H new ATOM 0 HB ILE A 70 26.194 1.853 -29.199 1.00 0.00 H new ATOM 0 HG12 ILE A 70 24.634 0.234 -28.193 1.00 0.00 H new ATOM 0 HG13 ILE A 70 24.869 -0.164 -29.883 1.00 0.00 H new ATOM 0 HG21 ILE A 70 26.993 0.392 -31.037 1.00 0.00 H new ATOM 0 HG22 ILE A 70 28.359 1.078 -30.127 1.00 0.00 H new ATOM 0 HG23 ILE A 70 27.870 -0.612 -29.858 1.00 0.00 H new ATOM 0 HD11 ILE A 70 25.034 -2.199 -28.473 1.00 0.00 H new ATOM 0 HD12 ILE A 70 26.594 -1.857 -29.259 1.00 0.00 H new ATOM 0 HD13 ILE A 70 26.355 -1.452 -27.542 1.00 0.00 H new ATOM 1022 N GLN A 71 28.646 2.793 -27.427 1.00 0.00 N ATOM 1023 CA GLN A 71 29.858 3.624 -27.486 1.00 0.00 C ATOM 1024 C GLN A 71 30.589 3.540 -26.152 1.00 0.00 C ATOM 1025 O GLN A 71 31.693 3.046 -26.045 1.00 0.00 O ATOM 1026 CB GLN A 71 29.396 5.062 -27.671 1.00 0.00 C ATOM 1027 CG GLN A 71 28.972 5.287 -29.124 1.00 0.00 C ATOM 1028 CD GLN A 71 29.981 6.209 -29.808 1.00 0.00 C ATOM 1029 OE1 GLN A 71 30.403 5.952 -30.918 1.00 0.00 O ATOM 1030 NE2 GLN A 71 30.390 7.281 -29.185 1.00 0.00 N ATOM 0 H GLN A 71 27.821 3.290 -27.091 1.00 0.00 H new ATOM 0 HA GLN A 71 30.515 3.295 -28.291 1.00 0.00 H new ATOM 0 HB2 GLN A 71 28.562 5.275 -27.002 1.00 0.00 H new ATOM 0 HB3 GLN A 71 30.200 5.749 -27.407 1.00 0.00 H new ATOM 0 HG2 GLN A 71 28.918 4.334 -29.651 1.00 0.00 H new ATOM 0 HG3 GLN A 71 27.976 5.728 -29.160 1.00 0.00 H new ATOM 0 HE21 GLN A 71 30.035 7.496 -28.253 1.00 0.00 H new ATOM 0 HE22 GLN A 71 31.064 7.904 -29.630 1.00 0.00 H new ATOM 1039 N ASP A 72 29.957 4.059 -25.145 1.00 0.00 N ATOM 1040 CA ASP A 72 30.531 4.078 -23.785 1.00 0.00 C ATOM 1041 C ASP A 72 30.922 2.671 -23.354 1.00 0.00 C ATOM 1042 O ASP A 72 31.890 2.501 -22.678 1.00 0.00 O ATOM 1043 CB ASP A 72 29.472 4.623 -22.830 1.00 0.00 C ATOM 1044 CG ASP A 72 29.938 4.503 -21.376 1.00 0.00 C ATOM 1045 OD1 ASP A 72 30.992 3.937 -21.151 1.00 0.00 O ATOM 1046 OD2 ASP A 72 29.227 4.985 -20.509 1.00 0.00 O ATOM 0 H ASP A 72 29.033 4.485 -25.215 1.00 0.00 H new ATOM 0 HA ASP A 72 31.423 4.704 -23.771 1.00 0.00 H new ATOM 0 HB2 ASP A 72 29.266 5.667 -23.066 1.00 0.00 H new ATOM 0 HB3 ASP A 72 28.539 4.076 -22.964 1.00 0.00 H new ATOM 1051 N VAL A 73 30.166 1.672 -23.712 1.00 0.00 N ATOM 1052 CA VAL A 73 30.506 0.285 -23.279 1.00 0.00 C ATOM 1053 C VAL A 73 31.873 -0.124 -23.839 1.00 0.00 C ATOM 1054 O VAL A 73 32.574 -0.931 -23.260 1.00 0.00 O ATOM 1055 CB VAL A 73 29.447 -0.689 -23.783 1.00 0.00 C ATOM 1056 CG1 VAL A 73 29.583 -0.858 -25.299 1.00 0.00 C ATOM 1057 CG2 VAL A 73 29.651 -2.035 -23.105 1.00 0.00 C ATOM 0 H VAL A 73 29.327 1.754 -24.286 1.00 0.00 H new ATOM 0 HA VAL A 73 30.540 0.259 -22.190 1.00 0.00 H new ATOM 0 HB VAL A 73 28.454 -0.303 -23.552 1.00 0.00 H new ATOM 0 HG11 VAL A 73 28.825 -1.555 -25.657 1.00 0.00 H new ATOM 0 HG12 VAL A 73 29.447 0.108 -25.786 1.00 0.00 H new ATOM 0 HG13 VAL A 73 30.574 -1.247 -25.534 1.00 0.00 H new ATOM 0 HG21 VAL A 73 28.898 -2.739 -23.459 1.00 0.00 H new ATOM 0 HG22 VAL A 73 30.644 -2.416 -23.344 1.00 0.00 H new ATOM 0 HG23 VAL A 73 29.558 -1.917 -22.025 1.00 0.00 H new ATOM 1067 N ALA A 74 32.282 0.431 -24.940 1.00 0.00 N ATOM 1068 CA ALA A 74 33.623 0.077 -25.469 1.00 0.00 C ATOM 1069 C ALA A 74 34.625 0.931 -24.705 1.00 0.00 C ATOM 1070 O ALA A 74 35.466 0.441 -23.995 1.00 0.00 O ATOM 1071 CB ALA A 74 33.703 0.377 -26.966 1.00 0.00 C ATOM 0 H ALA A 74 31.753 1.107 -25.492 1.00 0.00 H new ATOM 0 HA ALA A 74 33.829 -0.986 -25.340 1.00 0.00 H new ATOM 0 HB1 ALA A 74 34.693 0.112 -27.338 1.00 0.00 H new ATOM 0 HB2 ALA A 74 32.949 -0.206 -27.495 1.00 0.00 H new ATOM 0 HB3 ALA A 74 33.525 1.439 -27.134 1.00 0.00 H new ATOM 1077 N ALA A 75 34.496 2.218 -24.780 1.00 0.00 N ATOM 1078 CA ALA A 75 35.402 3.073 -23.979 1.00 0.00 C ATOM 1079 C ALA A 75 35.278 2.611 -22.517 1.00 0.00 C ATOM 1080 O ALA A 75 36.148 2.818 -21.695 1.00 0.00 O ATOM 1081 CB ALA A 75 34.949 4.532 -24.110 1.00 0.00 C ATOM 0 H ALA A 75 33.812 2.711 -25.353 1.00 0.00 H new ATOM 0 HA ALA A 75 36.435 2.996 -24.318 1.00 0.00 H new ATOM 0 HB1 ALA A 75 35.609 5.172 -23.524 1.00 0.00 H new ATOM 0 HB2 ALA A 75 34.988 4.832 -25.157 1.00 0.00 H new ATOM 0 HB3 ALA A 75 33.928 4.630 -23.742 1.00 0.00 H new ATOM 1087 N TYR A 76 34.180 1.962 -22.217 1.00 0.00 N ATOM 1088 CA TYR A 76 33.900 1.444 -20.846 1.00 0.00 C ATOM 1089 C TYR A 76 34.884 0.334 -20.516 1.00 0.00 C ATOM 1090 O TYR A 76 35.439 0.280 -19.442 1.00 0.00 O ATOM 1091 CB TYR A 76 32.473 0.874 -20.835 1.00 0.00 C ATOM 1092 CG TYR A 76 32.248 0.041 -19.614 1.00 0.00 C ATOM 1093 CD1 TYR A 76 31.837 0.648 -18.466 1.00 0.00 C ATOM 1094 CD2 TYR A 76 32.441 -1.328 -19.646 1.00 0.00 C ATOM 1095 CE1 TYR A 76 31.614 -0.093 -17.317 1.00 0.00 C ATOM 1096 CE2 TYR A 76 32.219 -2.093 -18.499 1.00 0.00 C ATOM 1097 CZ TYR A 76 31.806 -1.472 -17.327 1.00 0.00 C ATOM 1098 OH TYR A 76 31.585 -2.217 -16.185 1.00 0.00 O ATOM 0 H TYR A 76 33.442 1.765 -22.893 1.00 0.00 H new ATOM 0 HA TYR A 76 33.999 2.243 -20.111 1.00 0.00 H new ATOM 0 HB2 TYR A 76 31.750 1.689 -20.864 1.00 0.00 H new ATOM 0 HB3 TYR A 76 32.310 0.271 -21.728 1.00 0.00 H new ATOM 0 HD1 TYR A 76 31.684 1.717 -18.451 1.00 0.00 H new ATOM 0 HD2 TYR A 76 32.764 -1.806 -20.559 1.00 0.00 H new ATOM 0 HE1 TYR A 76 31.291 0.400 -16.412 1.00 0.00 H new ATOM 0 HE2 TYR A 76 32.368 -3.162 -18.523 1.00 0.00 H new ATOM 0 HH TYR A 76 31.531 -3.167 -16.420 1.00 0.00 H new ATOM 1108 N VAL A 77 35.094 -0.555 -21.435 1.00 0.00 N ATOM 1109 CA VAL A 77 36.044 -1.663 -21.189 1.00 0.00 C ATOM 1110 C VAL A 77 37.451 -1.083 -21.148 1.00 0.00 C ATOM 1111 O VAL A 77 38.357 -1.653 -20.575 1.00 0.00 O ATOM 1112 CB VAL A 77 35.916 -2.702 -22.303 1.00 0.00 C ATOM 1113 CG1 VAL A 77 35.737 -2.020 -23.640 1.00 0.00 C ATOM 1114 CG2 VAL A 77 37.166 -3.588 -22.357 1.00 0.00 C ATOM 0 H VAL A 77 34.646 -0.562 -22.351 1.00 0.00 H new ATOM 0 HA VAL A 77 35.827 -2.155 -20.241 1.00 0.00 H new ATOM 0 HB VAL A 77 35.044 -3.320 -22.090 1.00 0.00 H new ATOM 0 HG11 VAL A 77 35.647 -2.773 -24.423 1.00 0.00 H new ATOM 0 HG12 VAL A 77 34.835 -1.409 -23.619 1.00 0.00 H new ATOM 0 HG13 VAL A 77 36.600 -1.386 -23.843 1.00 0.00 H new ATOM 0 HG21 VAL A 77 37.058 -4.322 -23.156 1.00 0.00 H new ATOM 0 HG22 VAL A 77 38.043 -2.969 -22.549 1.00 0.00 H new ATOM 0 HG23 VAL A 77 37.288 -4.104 -21.404 1.00 0.00 H new ATOM 1124 N LEU A 78 37.626 0.070 -21.724 1.00 0.00 N ATOM 1125 CA LEU A 78 38.967 0.714 -21.688 1.00 0.00 C ATOM 1126 C LEU A 78 39.155 1.344 -20.305 1.00 0.00 C ATOM 1127 O LEU A 78 40.233 1.768 -19.940 1.00 0.00 O ATOM 1128 CB LEU A 78 39.060 1.809 -22.759 1.00 0.00 C ATOM 1129 CG LEU A 78 38.398 1.340 -24.060 1.00 0.00 C ATOM 1130 CD1 LEU A 78 38.839 2.249 -25.210 1.00 0.00 C ATOM 1131 CD2 LEU A 78 38.810 -0.101 -24.365 1.00 0.00 C ATOM 0 H LEU A 78 36.903 0.594 -22.217 1.00 0.00 H new ATOM 0 HA LEU A 78 39.739 -0.030 -21.883 1.00 0.00 H new ATOM 0 HB2 LEU A 78 38.574 2.717 -22.403 1.00 0.00 H new ATOM 0 HB3 LEU A 78 40.105 2.058 -22.944 1.00 0.00 H new ATOM 0 HG LEU A 78 37.315 1.386 -23.948 1.00 0.00 H new ATOM 0 HD11 LEU A 78 38.370 1.918 -26.136 1.00 0.00 H new ATOM 0 HD12 LEU A 78 38.539 3.275 -24.998 1.00 0.00 H new ATOM 0 HD13 LEU A 78 39.923 2.202 -25.316 1.00 0.00 H new ATOM 0 HD21 LEU A 78 38.336 -0.427 -25.291 1.00 0.00 H new ATOM 0 HD22 LEU A 78 39.893 -0.154 -24.474 1.00 0.00 H new ATOM 0 HD23 LEU A 78 38.495 -0.750 -23.548 1.00 0.00 H new ATOM 1143 N ASP A 79 38.094 1.424 -19.544 1.00 0.00 N ATOM 1144 CA ASP A 79 38.157 2.031 -18.205 1.00 0.00 C ATOM 1145 C ASP A 79 38.241 0.927 -17.153 1.00 0.00 C ATOM 1146 O ASP A 79 38.907 1.051 -16.144 1.00 0.00 O ATOM 1147 CB ASP A 79 36.862 2.815 -17.991 1.00 0.00 C ATOM 1148 CG ASP A 79 37.147 4.068 -17.161 1.00 0.00 C ATOM 1149 OD1 ASP A 79 37.625 3.921 -16.047 1.00 0.00 O ATOM 1150 OD2 ASP A 79 36.882 5.153 -17.651 1.00 0.00 O ATOM 0 H ASP A 79 37.171 1.083 -19.812 1.00 0.00 H new ATOM 0 HA ASP A 79 39.028 2.681 -18.120 1.00 0.00 H new ATOM 0 HB2 ASP A 79 36.432 3.095 -18.953 1.00 0.00 H new ATOM 0 HB3 ASP A 79 36.127 2.190 -17.483 1.00 0.00 H new ATOM 1155 N GLN A 80 37.538 -0.145 -17.386 1.00 0.00 N ATOM 1156 CA GLN A 80 37.519 -1.274 -16.419 1.00 0.00 C ATOM 1157 C GLN A 80 38.799 -2.097 -16.537 1.00 0.00 C ATOM 1158 O GLN A 80 39.307 -2.611 -15.561 1.00 0.00 O ATOM 1159 CB GLN A 80 36.329 -2.169 -16.740 1.00 0.00 C ATOM 1160 CG GLN A 80 35.080 -1.320 -16.961 1.00 0.00 C ATOM 1161 CD GLN A 80 34.237 -1.317 -15.684 1.00 0.00 C ATOM 1162 OE1 GLN A 80 34.252 -2.269 -14.929 1.00 0.00 O ATOM 1163 NE2 GLN A 80 33.498 -0.277 -15.409 1.00 0.00 N ATOM 0 H GLN A 80 36.967 -0.288 -18.219 1.00 0.00 H new ATOM 0 HA GLN A 80 37.443 -0.878 -15.406 1.00 0.00 H new ATOM 0 HB2 GLN A 80 36.539 -2.761 -17.631 1.00 0.00 H new ATOM 0 HB3 GLN A 80 36.161 -2.871 -15.923 1.00 0.00 H new ATOM 0 HG2 GLN A 80 35.361 -0.301 -17.227 1.00 0.00 H new ATOM 0 HG3 GLN A 80 34.499 -1.718 -17.793 1.00 0.00 H new ATOM 0 HE21 GLN A 80 33.486 0.522 -16.043 1.00 0.00 H new ATOM 0 HE22 GLN A 80 32.933 -0.263 -14.560 1.00 0.00 H new ATOM 1172 N ALA A 81 39.323 -2.237 -17.721 1.00 0.00 N ATOM 1173 CA ALA A 81 40.567 -3.035 -17.879 1.00 0.00 C ATOM 1174 C ALA A 81 41.670 -2.379 -17.059 1.00 0.00 C ATOM 1175 O ALA A 81 42.369 -3.023 -16.302 1.00 0.00 O ATOM 1176 CB ALA A 81 40.973 -3.071 -19.351 1.00 0.00 C ATOM 0 H ALA A 81 38.947 -1.836 -18.580 1.00 0.00 H new ATOM 0 HA ALA A 81 40.401 -4.056 -17.534 1.00 0.00 H new ATOM 0 HB1 ALA A 81 41.885 -3.657 -19.463 1.00 0.00 H new ATOM 0 HB2 ALA A 81 40.175 -3.527 -19.937 1.00 0.00 H new ATOM 0 HB3 ALA A 81 41.149 -2.055 -19.705 1.00 0.00 H new ATOM 1182 N ALA A 82 41.830 -1.097 -17.207 1.00 0.00 N ATOM 1183 CA ALA A 82 42.879 -0.386 -16.447 1.00 0.00 C ATOM 1184 C ALA A 82 42.326 0.055 -15.091 1.00 0.00 C ATOM 1185 O ALA A 82 42.914 0.871 -14.410 1.00 0.00 O ATOM 1186 CB ALA A 82 43.330 0.844 -17.236 1.00 0.00 C ATOM 0 H ALA A 82 41.273 -0.510 -17.828 1.00 0.00 H new ATOM 0 HA ALA A 82 43.726 -1.053 -16.290 1.00 0.00 H new ATOM 0 HB1 ALA A 82 44.104 1.371 -16.678 1.00 0.00 H new ATOM 0 HB2 ALA A 82 43.728 0.531 -18.201 1.00 0.00 H new ATOM 0 HB3 ALA A 82 42.480 1.508 -17.392 1.00 0.00 H new ATOM 1192 N LYS A 83 41.194 -0.465 -14.691 1.00 0.00 N ATOM 1193 CA LYS A 83 40.622 -0.048 -13.380 1.00 0.00 C ATOM 1194 C LYS A 83 40.226 -1.261 -12.540 1.00 0.00 C ATOM 1195 O LYS A 83 39.531 -1.136 -11.553 1.00 0.00 O ATOM 1196 CB LYS A 83 39.394 0.837 -13.606 1.00 0.00 C ATOM 1197 CG LYS A 83 38.778 1.204 -12.251 1.00 0.00 C ATOM 1198 CD LYS A 83 37.960 2.489 -12.388 1.00 0.00 C ATOM 1199 CE LYS A 83 38.755 3.664 -11.813 1.00 0.00 C ATOM 1200 NZ LYS A 83 38.216 4.023 -10.470 1.00 0.00 N ATOM 0 H LYS A 83 40.648 -1.152 -15.210 1.00 0.00 H new ATOM 0 HA LYS A 83 41.387 0.511 -12.841 1.00 0.00 H new ATOM 0 HB2 LYS A 83 39.677 1.740 -14.146 1.00 0.00 H new ATOM 0 HB3 LYS A 83 38.662 0.313 -14.221 1.00 0.00 H new ATOM 0 HG2 LYS A 83 38.142 0.392 -11.898 1.00 0.00 H new ATOM 0 HG3 LYS A 83 39.564 1.339 -11.508 1.00 0.00 H new ATOM 0 HD2 LYS A 83 37.725 2.673 -13.436 1.00 0.00 H new ATOM 0 HD3 LYS A 83 37.011 2.386 -11.862 1.00 0.00 H new ATOM 0 HE2 LYS A 83 39.809 3.399 -11.734 1.00 0.00 H new ATOM 0 HE3 LYS A 83 38.691 4.522 -12.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 38.757 4.821 -10.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 37.216 4.293 -10.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 38.299 3.205 -9.833 1.00 0.00 H new ATOM 1214 N GLY A 84 40.659 -2.429 -12.903 1.00 0.00 N ATOM 1215 CA GLY A 84 40.291 -3.614 -12.093 1.00 0.00 C ATOM 1216 C GLY A 84 38.908 -4.086 -12.513 1.00 0.00 C ATOM 1217 O GLY A 84 37.942 -3.906 -11.806 1.00 0.00 O ATOM 0 H GLY A 84 41.246 -2.614 -13.717 1.00 0.00 H new ATOM 0 HA2 GLY A 84 41.021 -4.411 -12.237 1.00 0.00 H new ATOM 0 HA3 GLY A 84 40.298 -3.363 -11.032 1.00 0.00 H new ATOM 1221 N TRP A 85 38.829 -4.690 -13.661 1.00 0.00 N ATOM 1222 CA TRP A 85 37.527 -5.217 -14.188 1.00 0.00 C ATOM 1223 C TRP A 85 36.696 -5.833 -13.055 1.00 0.00 C ATOM 1224 O TRP A 85 36.710 -7.030 -12.845 1.00 0.00 O ATOM 1225 CB TRP A 85 37.802 -6.311 -15.223 1.00 0.00 C ATOM 1226 CG TRP A 85 37.648 -5.780 -16.607 1.00 0.00 C ATOM 1227 CD1 TRP A 85 38.607 -5.796 -17.560 1.00 0.00 C ATOM 1228 CD2 TRP A 85 36.483 -5.167 -17.210 1.00 0.00 C ATOM 1229 NE1 TRP A 85 38.095 -5.226 -18.712 1.00 0.00 N ATOM 1230 CE2 TRP A 85 36.791 -4.823 -18.542 1.00 0.00 C ATOM 1231 CE3 TRP A 85 35.204 -4.876 -16.731 1.00 0.00 C ATOM 1232 CZ2 TRP A 85 35.858 -4.212 -19.369 1.00 0.00 C ATOM 1233 CZ3 TRP A 85 34.259 -4.255 -17.569 1.00 0.00 C ATOM 1234 CH2 TRP A 85 34.586 -3.924 -18.883 1.00 0.00 C ATOM 0 H TRP A 85 39.627 -4.848 -14.277 1.00 0.00 H new ATOM 0 HA TRP A 85 36.979 -4.388 -14.636 1.00 0.00 H new ATOM 0 HB2 TRP A 85 38.811 -6.700 -15.088 1.00 0.00 H new ATOM 0 HB3 TRP A 85 37.116 -7.144 -15.070 1.00 0.00 H new ATOM 0 HD1 TRP A 85 39.606 -6.188 -17.442 1.00 0.00 H new ATOM 0 HE1 TRP A 85 38.620 -5.118 -19.580 1.00 0.00 H new ATOM 0 HE3 TRP A 85 34.939 -5.128 -15.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 36.119 -3.961 -20.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 33.272 -4.033 -17.191 1.00 0.00 H new ATOM 0 HH2 TRP A 85 33.856 -3.447 -19.520 1.00 0.00 H new ATOM 1245 N ALA A 86 35.969 -5.029 -12.332 1.00 0.00 N ATOM 1246 CA ALA A 86 35.131 -5.562 -11.219 1.00 0.00 C ATOM 1247 C ALA A 86 35.928 -6.605 -10.438 1.00 0.00 C ATOM 1248 O ALA A 86 35.376 -7.514 -9.849 1.00 0.00 O ATOM 1249 CB ALA A 86 33.869 -6.207 -11.795 1.00 0.00 C ATOM 0 H ALA A 86 35.918 -4.019 -12.464 1.00 0.00 H new ATOM 0 HA ALA A 86 34.849 -4.747 -10.552 1.00 0.00 H new ATOM 0 HB1 ALA A 86 33.256 -6.597 -10.982 1.00 0.00 H new ATOM 0 HB2 ALA A 86 33.301 -5.462 -12.352 1.00 0.00 H new ATOM 0 HB3 ALA A 86 34.149 -7.023 -12.462 1.00 0.00 H new