USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 466 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 19 ASN : amide:sc= -2.19 X(o=-2.6,f=-2.4!) USER MOD Set 1.2: A 21 THR OG1 : rot -130:sc= -0.436 USER MOD Set 2.1: A 2 ASN : amide:sc= 0.54 K(o=1.4,f=-3.3!) USER MOD Set 2.2: A 11 THR OG1 : rot 103:sc= 0.882 USER MOD Single : A 1 MET CE :methyl 171:sc= -0.402 (180deg=-0.79) USER MOD Single : A 1 MET N :NH3+ 152:sc= 1.46 (180deg=0.637) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 ASN :FLIP amide:sc= -0.247 F(o=-1.2,f=-0.25) USER MOD Single : A 8 LYS NZ :NH3+ 166:sc= -0.0369 (180deg=-0.245) USER MOD Single : A 10 SER OG : rot 180:sc= -0.247 USER MOD Single : A 17 SER OG : rot -173:sc= -0.639 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.064 K(o=-0.064,f=-1.1) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN :FLIP amide:sc= -0.546 F(o=-3.7!,f=-0.55) USER MOD Single : A 52 THR OG1 : rot 81:sc= 0.398 USER MOD Single : A 53 THR OG1 : rot 42:sc= 0.0679 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.806 -11.285 -2.785 1.00 63.32 N ATOM 2 CA MET A 1 -1.944 -10.606 -1.777 1.00 62.20 C ATOM 3 C MET A 1 -2.581 -9.293 -1.292 1.00 0.21 C ATOM 4 O MET A 1 -3.158 -8.546 -2.081 1.00 15.40 O ATOM 5 CB MET A 1 -0.545 -10.326 -2.356 1.00 41.43 C ATOM 6 CG MET A 1 -0.553 -9.410 -3.575 1.00 2.22 C ATOM 7 SD MET A 1 1.095 -8.913 -4.113 1.00 34.23 S ATOM 8 CE MET A 1 1.829 -10.498 -4.496 1.00 3.34 C ATOM 0 H1 MET A 1 -2.213 -11.854 -3.422 1.00 63.32 H new ATOM 0 H2 MET A 1 -3.486 -11.904 -2.300 1.00 63.32 H new ATOM 0 H3 MET A 1 -3.322 -10.571 -3.338 1.00 63.32 H new ATOM 0 HA MET A 1 -1.847 -11.277 -0.924 1.00 62.20 H new ATOM 0 HB2 MET A 1 0.075 -9.877 -1.580 1.00 41.43 H new ATOM 0 HB3 MET A 1 -0.079 -11.273 -2.628 1.00 41.43 H new ATOM 0 HG2 MET A 1 -1.057 -9.917 -4.397 1.00 2.22 H new ATOM 0 HG3 MET A 1 -1.136 -8.518 -3.345 1.00 2.22 H new ATOM 0 HE1 MET A 1 2.788 -10.345 -4.991 1.00 3.34 H new ATOM 0 HE2 MET A 1 1.982 -11.060 -3.575 1.00 3.34 H new ATOM 0 HE3 MET A 1 1.165 -11.056 -5.156 1.00 3.34 H new ATOM 20 N ASN A 2 -2.482 -9.030 0.009 1.00 63.42 N ATOM 21 CA ASN A 2 -3.005 -7.794 0.603 1.00 52.42 C ATOM 22 C ASN A 2 -1.902 -6.726 0.726 1.00 63.33 C ATOM 23 O ASN A 2 -0.891 -6.938 1.396 1.00 31.14 O ATOM 24 CB ASN A 2 -3.603 -8.092 1.987 1.00 61.02 C ATOM 25 CG ASN A 2 -4.826 -8.994 1.922 1.00 1.50 C ATOM 26 OD1 ASN A 2 -4.978 -9.802 1.011 1.00 74.25 O ATOM 27 ND2 ASN A 2 -5.710 -8.870 2.890 1.00 31.42 N ATOM 0 H ASN A 2 -2.041 -9.660 0.680 1.00 63.42 H new ATOM 0 HA ASN A 2 -3.783 -7.404 -0.053 1.00 52.42 H new ATOM 0 HB2 ASN A 2 -2.844 -8.563 2.612 1.00 61.02 H new ATOM 0 HB3 ASN A 2 -3.875 -7.153 2.469 1.00 61.02 H new ATOM 0 HD21 ASN A 2 -6.546 -9.454 2.895 1.00 31.42 H new ATOM 0 HD22 ASN A 2 -5.558 -8.190 3.635 1.00 31.42 H new ATOM 34 N LEU A 3 -2.097 -5.579 0.075 1.00 10.11 N ATOM 35 CA LEU A 3 -1.107 -4.488 0.109 1.00 41.43 C ATOM 36 C LEU A 3 -1.666 -3.253 0.831 1.00 25.24 C ATOM 37 O LEU A 3 -2.711 -2.727 0.456 1.00 44.53 O ATOM 38 CB LEU A 3 -0.672 -4.075 -1.316 1.00 75.31 C ATOM 39 CG LEU A 3 -0.163 -5.200 -2.239 1.00 53.40 C ATOM 40 CD1 LEU A 3 0.816 -6.111 -1.506 1.00 62.42 C ATOM 41 CD2 LEU A 3 -1.326 -5.993 -2.830 1.00 31.53 C ATOM 0 H LEU A 3 -2.927 -5.376 -0.482 1.00 10.11 H new ATOM 0 HA LEU A 3 -0.242 -4.867 0.653 1.00 41.43 H new ATOM 0 HB2 LEU A 3 -1.519 -3.592 -1.804 1.00 75.31 H new ATOM 0 HB3 LEU A 3 0.115 -3.326 -1.228 1.00 75.31 H new ATOM 0 HG LEU A 3 0.375 -4.737 -3.066 1.00 53.40 H new ATOM 0 HD11 LEU A 3 1.159 -6.895 -2.181 1.00 62.42 H new ATOM 0 HD12 LEU A 3 1.671 -5.527 -1.165 1.00 62.42 H new ATOM 0 HD13 LEU A 3 0.319 -6.563 -0.647 1.00 62.42 H new ATOM 0 HD21 LEU A 3 -0.938 -6.780 -3.477 1.00 31.53 H new ATOM 0 HD22 LEU A 3 -1.908 -6.440 -2.024 1.00 31.53 H new ATOM 0 HD23 LEU A 3 -1.963 -5.326 -3.411 1.00 31.53 H new ATOM 53 N THR A 4 -0.968 -2.792 1.859 1.00 0.23 N ATOM 54 CA THR A 4 -1.356 -1.567 2.561 1.00 52.10 C ATOM 55 C THR A 4 -0.931 -0.326 1.749 1.00 11.32 C ATOM 56 O THR A 4 0.094 0.303 2.026 1.00 60.03 O ATOM 57 CB THR A 4 -0.734 -1.516 3.981 1.00 4.23 C ATOM 58 OG1 THR A 4 -1.047 -2.726 4.694 1.00 74.11 O ATOM 59 CG2 THR A 4 -1.249 -0.321 4.771 1.00 74.24 C ATOM 0 H THR A 4 -0.131 -3.243 2.228 1.00 0.23 H new ATOM 0 HA THR A 4 -2.441 -1.568 2.665 1.00 52.10 H new ATOM 0 HB THR A 4 0.346 -1.416 3.869 1.00 4.23 H new ATOM 0 HG1 THR A 4 -0.651 -2.690 5.590 1.00 74.11 H new ATOM 0 HG21 THR A 4 -0.793 -0.316 5.761 1.00 74.24 H new ATOM 0 HG22 THR A 4 -0.991 0.600 4.248 1.00 74.24 H new ATOM 0 HG23 THR A 4 -2.332 -0.390 4.871 1.00 74.24 H new ATOM 67 N VAL A 5 -1.722 0.006 0.729 1.00 54.45 N ATOM 68 CA VAL A 5 -1.370 1.068 -0.223 1.00 63.45 C ATOM 69 C VAL A 5 -1.441 2.467 0.410 1.00 52.14 C ATOM 70 O VAL A 5 -2.479 2.878 0.930 1.00 31.31 O ATOM 71 CB VAL A 5 -2.270 1.018 -1.490 1.00 52.34 C ATOM 72 CG1 VAL A 5 -2.036 -0.277 -2.264 1.00 11.04 C ATOM 73 CG2 VAL A 5 -3.748 1.166 -1.124 1.00 50.24 C ATOM 0 H VAL A 5 -2.616 -0.446 0.537 1.00 54.45 H new ATOM 0 HA VAL A 5 -0.337 0.883 -0.516 1.00 63.45 H new ATOM 0 HB VAL A 5 -1.997 1.858 -2.129 1.00 52.34 H new ATOM 0 HG11 VAL A 5 -2.675 -0.294 -3.147 1.00 11.04 H new ATOM 0 HG12 VAL A 5 -0.992 -0.334 -2.570 1.00 11.04 H new ATOM 0 HG13 VAL A 5 -2.274 -1.129 -1.628 1.00 11.04 H new ATOM 0 HG21 VAL A 5 -4.353 1.127 -2.030 1.00 50.24 H new ATOM 0 HG22 VAL A 5 -4.041 0.355 -0.457 1.00 50.24 H new ATOM 0 HG23 VAL A 5 -3.905 2.122 -0.624 1.00 50.24 H new ATOM 83 N ASN A 6 -0.316 3.186 0.374 1.00 53.12 N ATOM 84 CA ASN A 6 -0.224 4.546 0.926 1.00 22.32 C ATOM 85 C ASN A 6 -0.614 4.594 2.417 1.00 54.44 C ATOM 86 O ASN A 6 -0.990 5.648 2.940 1.00 12.35 O ATOM 87 CB ASN A 6 -1.109 5.508 0.122 1.00 72.52 C ATOM 88 CG ASN A 6 -0.731 5.558 -1.348 1.00 11.22 C ATOM 89 OD1 ASN A 6 0.211 6.413 -1.691 1.00 72.24 O flip ATOM 90 ND2 ASN A 6 -1.264 4.823 -2.168 1.00 44.53 N flip ATOM 0 H ASN A 6 0.554 2.847 -0.036 1.00 53.12 H new ATOM 0 HA ASN A 6 0.818 4.857 0.847 1.00 22.32 H new ATOM 0 HB2 ASN A 6 -2.151 5.201 0.215 1.00 72.52 H new ATOM 0 HB3 ASN A 6 -1.032 6.509 0.548 1.00 72.52 H new ATOM 0 HD21 ASN A 6 -1.991 4.171 -1.872 1.00 44.53 H new ATOM 0 HD22 ASN A 6 -0.982 4.862 -3.147 1.00 44.53 H new ATOM 97 N GLY A 7 -0.508 3.455 3.099 1.00 2.03 N ATOM 98 CA GLY A 7 -0.887 3.375 4.508 1.00 13.40 C ATOM 99 C GLY A 7 -2.330 2.913 4.726 1.00 23.30 C ATOM 100 O GLY A 7 -2.810 2.868 5.856 1.00 52.33 O ATOM 0 H GLY A 7 -0.165 2.580 2.702 1.00 2.03 H new ATOM 0 HA2 GLY A 7 -0.213 2.688 5.019 1.00 13.40 H new ATOM 0 HA3 GLY A 7 -0.754 4.354 4.968 1.00 13.40 H new ATOM 104 N LYS A 8 -3.031 2.578 3.641 1.00 33.13 N ATOM 105 CA LYS A 8 -4.414 2.086 3.718 1.00 20.04 C ATOM 106 C LYS A 8 -4.512 0.641 3.194 1.00 34.42 C ATOM 107 O LYS A 8 -4.146 0.366 2.050 1.00 41.12 O ATOM 108 CB LYS A 8 -5.368 2.998 2.921 1.00 31.52 C ATOM 109 CG LYS A 8 -5.342 4.468 3.349 1.00 65.54 C ATOM 110 CD LYS A 8 -4.163 5.227 2.737 1.00 73.11 C ATOM 111 CE LYS A 8 -4.023 6.634 3.311 1.00 11.44 C ATOM 112 NZ LYS A 8 -3.685 6.615 4.761 1.00 74.23 N ATOM 0 H LYS A 8 -2.663 2.638 2.691 1.00 33.13 H new ATOM 0 HA LYS A 8 -4.712 2.100 4.766 1.00 20.04 H new ATOM 0 HB2 LYS A 8 -5.112 2.936 1.863 1.00 31.52 H new ATOM 0 HB3 LYS A 8 -6.385 2.620 3.026 1.00 31.52 H new ATOM 0 HG2 LYS A 8 -6.274 4.948 3.052 1.00 65.54 H new ATOM 0 HG3 LYS A 8 -5.285 4.527 4.436 1.00 65.54 H new ATOM 0 HD2 LYS A 8 -3.243 4.670 2.915 1.00 73.11 H new ATOM 0 HD3 LYS A 8 -4.294 5.289 1.657 1.00 73.11 H new ATOM 0 HE2 LYS A 8 -3.248 7.172 2.765 1.00 11.44 H new ATOM 0 HE3 LYS A 8 -4.955 7.180 3.163 1.00 11.44 H new ATOM 0 HZ1 LYS A 8 -3.369 7.561 5.056 1.00 74.23 H new ATOM 0 HZ2 LYS A 8 -4.526 6.344 5.310 1.00 74.23 H new ATOM 0 HZ3 LYS A 8 -2.924 5.927 4.931 1.00 74.23 H new ATOM 126 N PRO A 9 -4.997 -0.302 4.028 1.00 34.34 N ATOM 127 CA PRO A 9 -5.119 -1.724 3.648 1.00 25.43 C ATOM 128 C PRO A 9 -5.903 -1.954 2.340 1.00 75.12 C ATOM 129 O PRO A 9 -7.038 -1.490 2.186 1.00 70.44 O ATOM 130 CB PRO A 9 -5.864 -2.345 4.840 1.00 62.40 C ATOM 131 CG PRO A 9 -5.539 -1.453 5.988 1.00 23.01 C ATOM 132 CD PRO A 9 -5.452 -0.067 5.412 1.00 71.10 C ATOM 0 HA PRO A 9 -4.142 -2.164 3.450 1.00 25.43 H new ATOM 0 HB2 PRO A 9 -6.938 -2.385 4.660 1.00 62.40 H new ATOM 0 HB3 PRO A 9 -5.534 -3.367 5.026 1.00 62.40 H new ATOM 0 HG2 PRO A 9 -6.308 -1.510 6.758 1.00 23.01 H new ATOM 0 HG3 PRO A 9 -4.598 -1.743 6.455 1.00 23.01 H new ATOM 0 HD2 PRO A 9 -6.416 0.440 5.438 1.00 71.10 H new ATOM 0 HD3 PRO A 9 -4.749 0.555 5.966 1.00 71.10 H new ATOM 140 N SER A 10 -5.278 -2.665 1.403 1.00 75.24 N ATOM 141 CA SER A 10 -5.921 -3.074 0.143 1.00 22.24 C ATOM 142 C SER A 10 -5.602 -4.546 -0.154 1.00 54.03 C ATOM 143 O SER A 10 -4.791 -5.158 0.545 1.00 51.11 O ATOM 144 CB SER A 10 -5.452 -2.194 -1.024 1.00 11.04 C ATOM 145 OG SER A 10 -6.016 -2.628 -2.251 1.00 20.54 O ATOM 0 H SER A 10 -4.311 -2.977 1.490 1.00 75.24 H new ATOM 0 HA SER A 10 -6.998 -2.952 0.254 1.00 22.24 H new ATOM 0 HB2 SER A 10 -5.733 -1.158 -0.838 1.00 11.04 H new ATOM 0 HB3 SER A 10 -4.364 -2.222 -1.090 1.00 11.04 H new ATOM 0 HG SER A 10 -5.703 -2.050 -2.978 1.00 20.54 H new ATOM 151 N THR A 11 -6.217 -5.118 -1.188 1.00 52.44 N ATOM 152 CA THR A 11 -6.021 -6.546 -1.495 1.00 74.53 C ATOM 153 C THR A 11 -6.324 -6.900 -2.957 1.00 53.22 C ATOM 154 O THR A 11 -7.379 -6.553 -3.497 1.00 12.51 O ATOM 155 CB THR A 11 -6.884 -7.453 -0.578 1.00 22.34 C ATOM 156 OG1 THR A 11 -6.755 -8.827 -0.980 1.00 3.51 O ATOM 157 CG2 THR A 11 -8.355 -7.042 -0.610 1.00 23.03 C ATOM 0 H THR A 11 -6.848 -4.629 -1.823 1.00 52.44 H new ATOM 0 HA THR A 11 -4.962 -6.730 -1.312 1.00 74.53 H new ATOM 0 HB THR A 11 -6.521 -7.336 0.443 1.00 22.34 H new ATOM 0 HG1 THR A 11 -6.152 -9.293 -0.364 1.00 3.51 H new ATOM 0 HG21 THR A 11 -8.930 -7.698 0.043 1.00 23.03 H new ATOM 0 HG22 THR A 11 -8.453 -6.012 -0.267 1.00 23.03 H new ATOM 0 HG23 THR A 11 -8.733 -7.122 -1.629 1.00 23.03 H new ATOM 165 N VAL A 12 -5.380 -7.594 -3.594 1.00 55.21 N ATOM 166 CA VAL A 12 -5.581 -8.145 -4.939 1.00 5.14 C ATOM 167 C VAL A 12 -5.546 -9.688 -4.901 1.00 3.01 C ATOM 168 O VAL A 12 -4.493 -10.307 -4.700 1.00 4.35 O ATOM 169 CB VAL A 12 -4.536 -7.602 -5.957 1.00 64.21 C ATOM 170 CG1 VAL A 12 -4.761 -6.111 -6.216 1.00 60.12 C ATOM 171 CG2 VAL A 12 -3.107 -7.847 -5.469 1.00 42.03 C ATOM 0 H VAL A 12 -4.461 -7.790 -3.198 1.00 55.21 H new ATOM 0 HA VAL A 12 -6.564 -7.820 -5.279 1.00 5.14 H new ATOM 0 HB VAL A 12 -4.671 -8.144 -6.893 1.00 64.21 H new ATOM 0 HG11 VAL A 12 -4.021 -5.750 -6.930 1.00 60.12 H new ATOM 0 HG12 VAL A 12 -5.761 -5.959 -6.622 1.00 60.12 H new ATOM 0 HG13 VAL A 12 -4.662 -5.560 -5.281 1.00 60.12 H new ATOM 0 HG21 VAL A 12 -2.400 -7.457 -6.201 1.00 42.03 H new ATOM 0 HG22 VAL A 12 -2.957 -7.342 -4.515 1.00 42.03 H new ATOM 0 HG23 VAL A 12 -2.944 -8.917 -5.342 1.00 42.03 H new ATOM 181 N ASP A 13 -6.715 -10.300 -5.080 1.00 23.25 N ATOM 182 CA ASP A 13 -6.867 -11.755 -4.987 1.00 24.53 C ATOM 183 C ASP A 13 -6.311 -12.465 -6.233 1.00 51.10 C ATOM 184 O ASP A 13 -6.723 -12.180 -7.357 1.00 60.32 O ATOM 185 CB ASP A 13 -8.349 -12.094 -4.794 1.00 41.13 C ATOM 186 CG ASP A 13 -8.611 -13.587 -4.712 1.00 62.04 C ATOM 187 OD1 ASP A 13 -8.261 -14.201 -3.683 1.00 74.14 O ATOM 188 OD2 ASP A 13 -9.191 -14.147 -5.666 1.00 1.12 O ATOM 0 H ASP A 13 -7.582 -9.806 -5.293 1.00 23.25 H new ATOM 0 HA ASP A 13 -6.293 -12.110 -4.131 1.00 24.53 H new ATOM 0 HB2 ASP A 13 -8.709 -11.617 -3.882 1.00 41.13 H new ATOM 0 HB3 ASP A 13 -8.922 -11.675 -5.621 1.00 41.13 H new ATOM 193 N GLY A 14 -5.370 -13.385 -6.024 1.00 10.22 N ATOM 194 CA GLY A 14 -4.779 -14.131 -7.134 1.00 73.50 C ATOM 195 C GLY A 14 -3.274 -13.912 -7.271 1.00 31.12 C ATOM 196 O GLY A 14 -2.541 -14.820 -7.669 1.00 65.10 O ATOM 0 H GLY A 14 -5.003 -13.630 -5.104 1.00 10.22 H new ATOM 0 HA2 GLY A 14 -4.974 -15.194 -6.993 1.00 73.50 H new ATOM 0 HA3 GLY A 14 -5.269 -13.837 -8.062 1.00 73.50 H new ATOM 200 N ALA A 15 -2.815 -12.705 -6.943 1.00 71.51 N ATOM 201 CA ALA A 15 -1.390 -12.361 -7.025 1.00 21.03 C ATOM 202 C ALA A 15 -0.586 -13.000 -5.884 1.00 4.52 C ATOM 203 O ALA A 15 -0.929 -12.847 -4.708 1.00 21.43 O ATOM 204 CB ALA A 15 -1.221 -10.846 -7.008 1.00 41.12 C ATOM 0 H ALA A 15 -3.410 -11.944 -6.616 1.00 71.51 H new ATOM 0 HA ALA A 15 -1.001 -12.758 -7.963 1.00 21.03 H new ATOM 0 HB1 ALA A 15 -0.161 -10.597 -7.069 1.00 41.12 H new ATOM 0 HB2 ALA A 15 -1.745 -10.412 -7.859 1.00 41.12 H new ATOM 0 HB3 ALA A 15 -1.635 -10.444 -6.083 1.00 41.12 H new ATOM 210 N GLU A 16 0.489 -13.707 -6.236 1.00 13.33 N ATOM 211 CA GLU A 16 1.325 -14.396 -5.248 1.00 64.32 C ATOM 212 C GLU A 16 2.825 -14.227 -5.556 1.00 65.24 C ATOM 213 O GLU A 16 3.339 -14.761 -6.542 1.00 23.30 O ATOM 214 CB GLU A 16 0.963 -15.892 -5.187 1.00 31.33 C ATOM 215 CG GLU A 16 1.839 -16.697 -4.229 1.00 2.44 C ATOM 216 CD GLU A 16 1.469 -18.173 -4.187 1.00 65.54 C ATOM 217 OE1 GLU A 16 1.787 -18.899 -5.155 1.00 2.33 O ATOM 218 OE2 GLU A 16 0.864 -18.619 -3.187 1.00 31.23 O ATOM 0 H GLU A 16 0.803 -13.818 -7.200 1.00 13.33 H new ATOM 0 HA GLU A 16 1.129 -13.940 -4.277 1.00 64.32 H new ATOM 0 HB2 GLU A 16 -0.079 -15.993 -4.884 1.00 31.33 H new ATOM 0 HB3 GLU A 16 1.047 -16.318 -6.187 1.00 31.33 H new ATOM 0 HG2 GLU A 16 2.882 -16.597 -4.528 1.00 2.44 H new ATOM 0 HG3 GLU A 16 1.753 -16.277 -3.227 1.00 2.44 H new ATOM 225 N SER A 17 3.497 -13.434 -4.726 1.00 64.53 N ATOM 226 CA SER A 17 4.970 -13.305 -4.747 1.00 22.42 C ATOM 227 C SER A 17 5.512 -12.734 -6.071 1.00 60.24 C ATOM 228 O SER A 17 6.672 -12.961 -6.420 1.00 3.24 O ATOM 229 CB SER A 17 5.632 -14.665 -4.465 1.00 60.45 C ATOM 230 OG SER A 17 5.290 -15.159 -3.175 1.00 51.04 O ATOM 0 H SER A 17 3.045 -12.858 -4.016 1.00 64.53 H new ATOM 0 HA SER A 17 5.224 -12.593 -3.962 1.00 22.42 H new ATOM 0 HB2 SER A 17 5.324 -15.384 -5.224 1.00 60.45 H new ATOM 0 HB3 SER A 17 6.715 -14.566 -4.541 1.00 60.45 H new ATOM 0 HG SER A 17 5.812 -15.967 -2.985 1.00 51.04 H new ATOM 236 N LEU A 18 4.693 -11.973 -6.795 1.00 14.51 N ATOM 237 CA LEU A 18 5.134 -11.364 -8.058 1.00 63.24 C ATOM 238 C LEU A 18 5.993 -10.111 -7.820 1.00 64.13 C ATOM 239 O LEU A 18 5.943 -9.497 -6.755 1.00 12.13 O ATOM 240 CB LEU A 18 3.931 -11.031 -8.969 1.00 4.13 C ATOM 241 CG LEU A 18 2.706 -10.368 -8.300 1.00 75.23 C ATOM 242 CD1 LEU A 18 3.029 -8.973 -7.766 1.00 43.10 C ATOM 243 CD2 LEU A 18 1.536 -10.302 -9.281 1.00 1.12 C ATOM 0 H LEU A 18 3.729 -11.762 -6.536 1.00 14.51 H new ATOM 0 HA LEU A 18 5.756 -12.101 -8.566 1.00 63.24 H new ATOM 0 HB2 LEU A 18 4.280 -10.372 -9.764 1.00 4.13 H new ATOM 0 HB3 LEU A 18 3.599 -11.955 -9.443 1.00 4.13 H new ATOM 0 HG LEU A 18 2.426 -10.987 -7.448 1.00 75.23 H new ATOM 0 HD11 LEU A 18 2.139 -8.545 -7.304 1.00 43.10 H new ATOM 0 HD12 LEU A 18 3.825 -9.043 -7.024 1.00 43.10 H new ATOM 0 HD13 LEU A 18 3.354 -8.335 -8.588 1.00 43.10 H new ATOM 0 HD21 LEU A 18 0.680 -9.833 -8.796 1.00 1.12 H new ATOM 0 HD22 LEU A 18 1.825 -9.716 -10.153 1.00 1.12 H new ATOM 0 HD23 LEU A 18 1.267 -11.311 -9.595 1.00 1.12 H new ATOM 255 N ASN A 19 6.777 -9.733 -8.824 1.00 45.12 N ATOM 256 CA ASN A 19 7.627 -8.541 -8.736 1.00 4.24 C ATOM 257 C ASN A 19 6.848 -7.262 -9.092 1.00 70.02 C ATOM 258 O ASN A 19 5.843 -7.314 -9.809 1.00 70.44 O ATOM 259 CB ASN A 19 8.854 -8.712 -9.639 1.00 1.11 C ATOM 260 CG ASN A 19 8.478 -9.062 -11.065 1.00 13.05 C ATOM 261 OD1 ASN A 19 8.190 -10.214 -11.373 1.00 50.14 O ATOM 262 ND2 ASN A 19 8.504 -8.088 -11.950 1.00 32.41 N ATOM 0 H ASN A 19 6.845 -10.232 -9.711 1.00 45.12 H new ATOM 0 HA ASN A 19 7.961 -8.432 -7.704 1.00 4.24 H new ATOM 0 HB2 ASN A 19 9.436 -7.790 -9.635 1.00 1.11 H new ATOM 0 HB3 ASN A 19 9.495 -9.495 -9.233 1.00 1.11 H new ATOM 0 HD21 ASN A 19 8.280 -8.280 -12.926 1.00 32.41 H new ATOM 0 HD22 ASN A 19 8.748 -7.141 -11.659 1.00 32.41 H new ATOM 269 N VAL A 20 7.326 -6.114 -8.600 1.00 63.45 N ATOM 270 CA VAL A 20 6.610 -4.830 -8.747 1.00 3.34 C ATOM 271 C VAL A 20 6.216 -4.534 -10.204 1.00 73.42 C ATOM 272 O VAL A 20 5.144 -3.989 -10.460 1.00 44.41 O ATOM 273 CB VAL A 20 7.444 -3.642 -8.201 1.00 50.15 C ATOM 274 CG1 VAL A 20 6.680 -2.323 -8.345 1.00 11.24 C ATOM 275 CG2 VAL A 20 7.837 -3.881 -6.745 1.00 70.03 C ATOM 0 H VAL A 20 8.209 -6.042 -8.094 1.00 63.45 H new ATOM 0 HA VAL A 20 5.699 -4.936 -8.158 1.00 3.34 H new ATOM 0 HB VAL A 20 8.356 -3.571 -8.794 1.00 50.15 H new ATOM 0 HG11 VAL A 20 7.287 -1.506 -7.955 1.00 11.24 H new ATOM 0 HG12 VAL A 20 6.462 -2.142 -9.397 1.00 11.24 H new ATOM 0 HG13 VAL A 20 5.746 -2.380 -7.786 1.00 11.24 H new ATOM 0 HG21 VAL A 20 8.421 -3.035 -6.382 1.00 70.03 H new ATOM 0 HG22 VAL A 20 6.938 -3.988 -6.138 1.00 70.03 H new ATOM 0 HG23 VAL A 20 8.433 -4.791 -6.674 1.00 70.03 H new ATOM 285 N THR A 21 7.079 -4.899 -11.155 1.00 3.24 N ATOM 286 CA THR A 21 6.791 -4.686 -12.586 1.00 52.35 C ATOM 287 C THR A 21 5.430 -5.277 -12.982 1.00 35.03 C ATOM 288 O THR A 21 4.646 -4.646 -13.694 1.00 40.14 O ATOM 289 CB THR A 21 7.881 -5.312 -13.490 1.00 21.00 C ATOM 290 OG1 THR A 21 9.184 -4.929 -13.031 1.00 30.41 O ATOM 291 CG2 THR A 21 7.710 -4.873 -14.942 1.00 22.22 C ATOM 0 H THR A 21 7.979 -5.341 -10.968 1.00 3.24 H new ATOM 0 HA THR A 21 6.776 -3.606 -12.734 1.00 52.35 H new ATOM 0 HB THR A 21 7.776 -6.396 -13.437 1.00 21.00 H new ATOM 0 HG1 THR A 21 9.709 -4.587 -13.785 1.00 30.41 H new ATOM 0 HG21 THR A 21 8.489 -5.328 -15.554 1.00 22.22 H new ATOM 0 HG22 THR A 21 6.732 -5.190 -15.305 1.00 22.22 H new ATOM 0 HG23 THR A 21 7.786 -3.788 -15.005 1.00 22.22 H new ATOM 299 N GLU A 22 5.146 -6.489 -12.503 1.00 63.21 N ATOM 300 CA GLU A 22 3.879 -7.160 -12.816 1.00 3.33 C ATOM 301 C GLU A 22 2.742 -6.685 -11.904 1.00 14.10 C ATOM 302 O GLU A 22 1.586 -6.645 -12.320 1.00 11.11 O ATOM 303 CB GLU A 22 4.034 -8.682 -12.737 1.00 62.23 C ATOM 304 CG GLU A 22 4.966 -9.236 -13.809 1.00 45.43 C ATOM 305 CD GLU A 22 4.822 -10.736 -14.004 1.00 54.53 C ATOM 306 OE1 GLU A 22 3.712 -11.186 -14.357 1.00 23.54 O ATOM 307 OE2 GLU A 22 5.815 -11.471 -13.812 1.00 14.35 O ATOM 0 H GLU A 22 5.770 -7.025 -11.900 1.00 63.21 H new ATOM 0 HA GLU A 22 3.614 -6.891 -13.838 1.00 3.33 H new ATOM 0 HB2 GLU A 22 4.417 -8.953 -11.753 1.00 62.23 H new ATOM 0 HB3 GLU A 22 3.054 -9.148 -12.837 1.00 62.23 H new ATOM 0 HG2 GLU A 22 4.764 -8.731 -14.754 1.00 45.43 H new ATOM 0 HG3 GLU A 22 5.997 -9.008 -13.539 1.00 45.43 H new ATOM 314 N LEU A 23 3.066 -6.331 -10.659 1.00 43.10 N ATOM 315 CA LEU A 23 2.086 -5.699 -9.763 1.00 61.33 C ATOM 316 C LEU A 23 1.537 -4.423 -10.426 1.00 25.44 C ATOM 317 O LEU A 23 0.331 -4.176 -10.440 1.00 15.15 O ATOM 318 CB LEU A 23 2.738 -5.376 -8.400 1.00 72.15 C ATOM 319 CG LEU A 23 1.775 -5.038 -7.234 1.00 33.03 C ATOM 320 CD1 LEU A 23 2.502 -5.151 -5.895 1.00 4.23 C ATOM 321 CD2 LEU A 23 1.171 -3.638 -7.385 1.00 22.33 C ATOM 0 H LEU A 23 3.989 -6.468 -10.248 1.00 43.10 H new ATOM 0 HA LEU A 23 1.259 -6.386 -9.585 1.00 61.33 H new ATOM 0 HB2 LEU A 23 3.347 -6.230 -8.103 1.00 72.15 H new ATOM 0 HB3 LEU A 23 3.416 -4.533 -8.537 1.00 72.15 H new ATOM 0 HG LEU A 23 0.959 -5.760 -7.263 1.00 33.03 H new ATOM 0 HD11 LEU A 23 1.813 -4.911 -5.085 1.00 4.23 H new ATOM 0 HD12 LEU A 23 2.872 -6.168 -5.767 1.00 4.23 H new ATOM 0 HD13 LEU A 23 3.341 -4.455 -5.876 1.00 4.23 H new ATOM 0 HD21 LEU A 23 0.502 -3.438 -6.548 1.00 22.33 H new ATOM 0 HD22 LEU A 23 1.970 -2.896 -7.396 1.00 22.33 H new ATOM 0 HD23 LEU A 23 0.611 -3.582 -8.319 1.00 22.33 H new ATOM 333 N LEU A 24 2.444 -3.634 -10.994 1.00 52.24 N ATOM 334 CA LEU A 24 2.083 -2.434 -11.751 1.00 4.32 C ATOM 335 C LEU A 24 1.206 -2.800 -12.965 1.00 2.51 C ATOM 336 O LEU A 24 0.191 -2.154 -13.241 1.00 32.23 O ATOM 337 CB LEU A 24 3.366 -1.728 -12.217 1.00 3.52 C ATOM 338 CG LEU A 24 3.178 -0.325 -12.810 1.00 61.15 C ATOM 339 CD1 LEU A 24 2.702 0.651 -11.741 1.00 33.23 C ATOM 340 CD2 LEU A 24 4.476 0.168 -13.448 1.00 30.35 C ATOM 0 H LEU A 24 3.448 -3.806 -10.944 1.00 52.24 H new ATOM 0 HA LEU A 24 1.509 -1.765 -11.109 1.00 4.32 H new ATOM 0 HB2 LEU A 24 4.047 -1.655 -11.369 1.00 3.52 H new ATOM 0 HB3 LEU A 24 3.853 -2.355 -12.964 1.00 3.52 H new ATOM 0 HG LEU A 24 2.415 -0.382 -13.586 1.00 61.15 H new ATOM 0 HD11 LEU A 24 2.575 1.640 -12.182 1.00 33.23 H new ATOM 0 HD12 LEU A 24 1.750 0.310 -11.335 1.00 33.23 H new ATOM 0 HD13 LEU A 24 3.440 0.703 -10.941 1.00 33.23 H new ATOM 0 HD21 LEU A 24 4.322 1.164 -13.863 1.00 30.35 H new ATOM 0 HD22 LEU A 24 5.261 0.207 -12.693 1.00 30.35 H new ATOM 0 HD23 LEU A 24 4.772 -0.515 -14.244 1.00 30.35 H new ATOM 352 N SER A 25 1.609 -3.856 -13.676 1.00 1.14 N ATOM 353 CA SER A 25 0.849 -4.371 -14.829 1.00 31.22 C ATOM 354 C SER A 25 -0.536 -4.896 -14.415 1.00 25.34 C ATOM 355 O SER A 25 -1.480 -4.882 -15.208 1.00 63.03 O ATOM 356 CB SER A 25 1.637 -5.494 -15.525 1.00 64.03 C ATOM 357 OG SER A 25 0.897 -6.069 -16.592 1.00 31.33 O ATOM 0 H SER A 25 2.462 -4.377 -13.475 1.00 1.14 H new ATOM 0 HA SER A 25 0.702 -3.540 -15.519 1.00 31.22 H new ATOM 0 HB2 SER A 25 2.577 -5.097 -15.907 1.00 64.03 H new ATOM 0 HB3 SER A 25 1.889 -6.267 -14.798 1.00 64.03 H new ATOM 0 HG SER A 25 1.427 -6.778 -17.013 1.00 31.33 H new ATOM 363 N ALA A 26 -0.655 -5.356 -13.168 1.00 71.30 N ATOM 364 CA ALA A 26 -1.931 -5.862 -12.642 1.00 43.12 C ATOM 365 C ALA A 26 -3.005 -4.763 -12.610 1.00 64.12 C ATOM 366 O ALA A 26 -4.184 -5.020 -12.868 1.00 73.31 O ATOM 367 CB ALA A 26 -1.732 -6.453 -11.249 1.00 41.15 C ATOM 0 H ALA A 26 0.116 -5.390 -12.501 1.00 71.30 H new ATOM 0 HA ALA A 26 -2.281 -6.646 -13.314 1.00 43.12 H new ATOM 0 HB1 ALA A 26 -2.685 -6.824 -10.872 1.00 41.15 H new ATOM 0 HB2 ALA A 26 -1.018 -7.275 -11.301 1.00 41.15 H new ATOM 0 HB3 ALA A 26 -1.351 -5.683 -10.578 1.00 41.15 H new ATOM 373 N LEU A 27 -2.586 -3.536 -12.296 1.00 24.52 N ATOM 374 CA LEU A 27 -3.483 -2.373 -12.328 1.00 51.41 C ATOM 375 C LEU A 27 -3.640 -1.839 -13.763 1.00 5.51 C ATOM 376 O LEU A 27 -4.387 -0.889 -14.005 1.00 62.51 O ATOM 377 CB LEU A 27 -2.961 -1.253 -11.407 1.00 51.10 C ATOM 378 CG LEU A 27 -3.094 -1.509 -9.890 1.00 34.05 C ATOM 379 CD1 LEU A 27 -2.224 -2.681 -9.438 1.00 1.21 C ATOM 380 CD2 LEU A 27 -2.752 -0.245 -9.100 1.00 51.04 C ATOM 0 H LEU A 27 -1.630 -3.319 -12.016 1.00 24.52 H new ATOM 0 HA LEU A 27 -4.459 -2.698 -11.968 1.00 51.41 H new ATOM 0 HB2 LEU A 27 -1.909 -1.082 -11.636 1.00 51.10 H new ATOM 0 HB3 LEU A 27 -3.494 -0.333 -11.648 1.00 51.10 H new ATOM 0 HG LEU A 27 -4.132 -1.775 -9.689 1.00 34.05 H new ATOM 0 HD11 LEU A 27 -2.344 -2.831 -8.365 1.00 1.21 H new ATOM 0 HD12 LEU A 27 -2.528 -3.585 -9.967 1.00 1.21 H new ATOM 0 HD13 LEU A 27 -1.179 -2.465 -9.659 1.00 1.21 H new ATOM 0 HD21 LEU A 27 -2.851 -0.445 -8.033 1.00 51.04 H new ATOM 0 HD22 LEU A 27 -1.727 0.055 -9.319 1.00 51.04 H new ATOM 0 HD23 LEU A 27 -3.433 0.557 -9.384 1.00 51.04 H new ATOM 392 N LYS A 28 -2.921 -2.461 -14.701 1.00 3.55 N ATOM 393 CA LYS A 28 -2.984 -2.105 -16.126 1.00 13.23 C ATOM 394 C LYS A 28 -2.473 -0.669 -16.374 1.00 44.25 C ATOM 395 O LYS A 28 -2.830 -0.030 -17.368 1.00 53.21 O ATOM 396 CB LYS A 28 -4.422 -2.277 -16.651 1.00 13.11 C ATOM 397 CG LYS A 28 -4.530 -2.311 -18.175 1.00 51.33 C ATOM 398 CD LYS A 28 -5.983 -2.404 -18.635 1.00 12.20 C ATOM 399 CE LYS A 28 -6.093 -2.521 -20.149 1.00 23.10 C ATOM 400 NZ LYS A 28 -7.508 -2.495 -20.603 1.00 73.03 N ATOM 0 H LYS A 28 -2.278 -3.226 -14.497 1.00 3.55 H new ATOM 0 HA LYS A 28 -2.328 -2.781 -16.675 1.00 13.23 H new ATOM 0 HB2 LYS A 28 -4.837 -3.201 -16.247 1.00 13.11 H new ATOM 0 HB3 LYS A 28 -5.036 -1.460 -16.272 1.00 13.11 H new ATOM 0 HG2 LYS A 28 -4.073 -1.414 -18.593 1.00 51.33 H new ATOM 0 HG3 LYS A 28 -3.971 -3.163 -18.561 1.00 51.33 H new ATOM 0 HD2 LYS A 28 -6.457 -3.268 -18.169 1.00 12.20 H new ATOM 0 HD3 LYS A 28 -6.527 -1.522 -18.299 1.00 12.20 H new ATOM 0 HE2 LYS A 28 -5.546 -1.703 -20.618 1.00 23.10 H new ATOM 0 HE3 LYS A 28 -5.623 -3.448 -20.477 1.00 23.10 H new ATOM 0 HZ1 LYS A 28 -7.542 -2.577 -21.639 1.00 73.03 H new ATOM 0 HZ2 LYS A 28 -8.024 -3.290 -20.176 1.00 73.03 H new ATOM 0 HZ3 LYS A 28 -7.950 -1.599 -20.312 1.00 73.03 H new ATOM 414 N VAL A 29 -1.607 -0.187 -15.483 1.00 75.31 N ATOM 415 CA VAL A 29 -1.039 1.163 -15.596 1.00 70.33 C ATOM 416 C VAL A 29 -0.307 1.358 -16.937 1.00 62.14 C ATOM 417 O VAL A 29 0.517 0.534 -17.332 1.00 3.14 O ATOM 418 CB VAL A 29 -0.061 1.460 -14.428 1.00 12.34 C ATOM 419 CG1 VAL A 29 0.523 2.869 -14.541 1.00 52.45 C ATOM 420 CG2 VAL A 29 -0.758 1.267 -13.080 1.00 14.14 C ATOM 0 H VAL A 29 -1.280 -0.711 -14.671 1.00 75.31 H new ATOM 0 HA VAL A 29 -1.874 1.862 -15.548 1.00 70.33 H new ATOM 0 HB VAL A 29 0.765 0.752 -14.492 1.00 12.34 H new ATOM 0 HG11 VAL A 29 1.204 3.048 -13.709 1.00 52.45 H new ATOM 0 HG12 VAL A 29 1.066 2.964 -15.481 1.00 52.45 H new ATOM 0 HG13 VAL A 29 -0.284 3.601 -14.513 1.00 52.45 H new ATOM 0 HG21 VAL A 29 -0.056 1.480 -12.274 1.00 14.14 H new ATOM 0 HG22 VAL A 29 -1.608 1.945 -13.010 1.00 14.14 H new ATOM 0 HG23 VAL A 29 -1.107 0.238 -12.995 1.00 14.14 H new ATOM 430 N ALA A 30 -0.618 2.454 -17.628 1.00 54.04 N ATOM 431 CA ALA A 30 -0.031 2.740 -18.944 1.00 31.02 C ATOM 432 C ALA A 30 1.479 3.027 -18.862 1.00 33.14 C ATOM 433 O ALA A 30 2.241 2.663 -19.760 1.00 73.55 O ATOM 434 CB ALA A 30 -0.756 3.914 -19.599 1.00 42.00 C ATOM 0 H ALA A 30 -1.275 3.162 -17.300 1.00 54.04 H new ATOM 0 HA ALA A 30 -0.156 1.846 -19.555 1.00 31.02 H new ATOM 0 HB1 ALA A 30 -0.313 4.117 -20.574 1.00 42.00 H new ATOM 0 HB2 ALA A 30 -1.810 3.667 -19.724 1.00 42.00 H new ATOM 0 HB3 ALA A 30 -0.663 4.797 -18.967 1.00 42.00 H new ATOM 440 N GLN A 31 1.905 3.681 -17.787 1.00 31.34 N ATOM 441 CA GLN A 31 3.320 4.038 -17.608 1.00 73.41 C ATOM 442 C GLN A 31 4.060 3.001 -16.744 1.00 1.34 C ATOM 443 O GLN A 31 3.443 2.148 -16.106 1.00 62.42 O ATOM 444 CB GLN A 31 3.444 5.431 -16.968 1.00 70.44 C ATOM 445 CG GLN A 31 2.675 6.529 -17.704 1.00 2.15 C ATOM 446 CD GLN A 31 3.073 6.671 -19.166 1.00 42.22 C ATOM 447 OE1 GLN A 31 4.209 6.404 -19.552 1.00 51.00 O ATOM 448 NE2 GLN A 31 2.144 7.102 -19.994 1.00 33.41 N ATOM 0 H GLN A 31 1.297 3.977 -17.024 1.00 31.34 H new ATOM 0 HA GLN A 31 3.783 4.050 -18.595 1.00 73.41 H new ATOM 0 HB2 GLN A 31 3.086 5.379 -15.940 1.00 70.44 H new ATOM 0 HB3 GLN A 31 4.498 5.707 -16.926 1.00 70.44 H new ATOM 0 HG2 GLN A 31 1.608 6.316 -17.645 1.00 2.15 H new ATOM 0 HG3 GLN A 31 2.839 7.480 -17.197 1.00 2.15 H new ATOM 0 HE21 GLN A 31 1.210 7.316 -19.645 1.00 33.41 H new ATOM 0 HE22 GLN A 31 2.359 7.222 -20.984 1.00 33.41 H new ATOM 457 N ALA A 32 5.388 3.085 -16.728 1.00 13.23 N ATOM 458 CA ALA A 32 6.214 2.193 -15.906 1.00 33.43 C ATOM 459 C ALA A 32 7.462 2.924 -15.394 1.00 22.10 C ATOM 460 O ALA A 32 7.648 3.102 -14.191 1.00 11.21 O ATOM 461 CB ALA A 32 6.609 0.951 -16.703 1.00 2.33 C ATOM 0 H ALA A 32 5.920 3.762 -17.275 1.00 13.23 H new ATOM 0 HA ALA A 32 5.627 1.880 -15.043 1.00 33.43 H new ATOM 0 HB1 ALA A 32 7.221 0.299 -16.080 1.00 2.33 H new ATOM 0 HB2 ALA A 32 5.711 0.417 -17.014 1.00 2.33 H new ATOM 0 HB3 ALA A 32 7.177 1.250 -17.584 1.00 2.33 H new ATOM 467 N GLU A 33 8.297 3.359 -16.331 1.00 62.50 N ATOM 468 CA GLU A 33 9.513 4.130 -16.023 1.00 23.14 C ATOM 469 C GLU A 33 9.203 5.394 -15.195 1.00 21.03 C ATOM 470 O GLU A 33 10.019 5.831 -14.382 1.00 65.23 O ATOM 471 CB GLU A 33 10.236 4.524 -17.330 1.00 31.42 C ATOM 472 CG GLU A 33 9.436 5.451 -18.254 1.00 31.30 C ATOM 473 CD GLU A 33 8.158 4.812 -18.789 1.00 40.45 C ATOM 474 OE1 GLU A 33 8.220 4.111 -19.819 1.00 22.04 O ATOM 475 OE2 GLU A 33 7.090 4.986 -18.164 1.00 75.41 O ATOM 0 H GLU A 33 8.157 3.191 -17.327 1.00 62.50 H new ATOM 0 HA GLU A 33 10.161 3.492 -15.422 1.00 23.14 H new ATOM 0 HB2 GLU A 33 11.177 5.012 -17.075 1.00 31.42 H new ATOM 0 HB3 GLU A 33 10.486 3.616 -17.878 1.00 31.42 H new ATOM 0 HG2 GLU A 33 9.180 6.361 -17.711 1.00 31.30 H new ATOM 0 HG3 GLU A 33 10.065 5.747 -19.093 1.00 31.30 H new ATOM 482 N TYR A 34 8.023 5.979 -15.409 1.00 40.43 N ATOM 483 CA TYR A 34 7.618 7.199 -14.693 1.00 21.20 C ATOM 484 C TYR A 34 7.022 6.902 -13.304 1.00 11.43 C ATOM 485 O TYR A 34 6.921 7.798 -12.465 1.00 33.05 O ATOM 486 CB TYR A 34 6.594 7.994 -15.522 1.00 20.51 C ATOM 487 CG TYR A 34 7.111 8.457 -16.876 1.00 11.14 C ATOM 488 CD1 TYR A 34 8.219 9.294 -16.973 1.00 0.43 C ATOM 489 CD2 TYR A 34 6.488 8.061 -18.056 1.00 44.22 C ATOM 490 CE1 TYR A 34 8.692 9.716 -18.202 1.00 40.15 C ATOM 491 CE2 TYR A 34 6.955 8.479 -19.288 1.00 64.43 C ATOM 492 CZ TYR A 34 8.055 9.308 -19.356 1.00 31.53 C ATOM 493 OH TYR A 34 8.519 9.728 -20.585 1.00 60.25 O ATOM 0 H TYR A 34 7.329 5.631 -16.071 1.00 40.43 H new ATOM 0 HA TYR A 34 8.524 7.788 -14.549 1.00 21.20 H new ATOM 0 HB2 TYR A 34 5.710 7.376 -15.676 1.00 20.51 H new ATOM 0 HB3 TYR A 34 6.278 8.866 -14.949 1.00 20.51 H new ATOM 0 HD1 TYR A 34 8.718 9.620 -16.072 1.00 0.43 H new ATOM 0 HD2 TYR A 34 5.624 7.415 -18.008 1.00 44.22 H new ATOM 0 HE1 TYR A 34 9.556 10.362 -18.258 1.00 40.15 H new ATOM 0 HE2 TYR A 34 6.461 8.158 -20.193 1.00 64.43 H new ATOM 0 HH TYR A 34 7.958 9.349 -21.293 1.00 60.25 H new ATOM 503 N VAL A 35 6.631 5.652 -13.051 1.00 23.12 N ATOM 504 CA VAL A 35 5.939 5.312 -11.800 1.00 13.23 C ATOM 505 C VAL A 35 6.930 5.119 -10.638 1.00 21.13 C ATOM 506 O VAL A 35 7.295 3.994 -10.289 1.00 22.34 O ATOM 507 CB VAL A 35 5.055 4.042 -11.940 1.00 22.50 C ATOM 508 CG1 VAL A 35 4.102 3.921 -10.754 1.00 52.41 C ATOM 509 CG2 VAL A 35 4.281 4.053 -13.257 1.00 21.30 C ATOM 0 H VAL A 35 6.777 4.866 -13.684 1.00 23.12 H new ATOM 0 HA VAL A 35 5.289 6.159 -11.578 1.00 13.23 H new ATOM 0 HB VAL A 35 5.711 3.172 -11.946 1.00 22.50 H new ATOM 0 HG11 VAL A 35 3.490 3.026 -10.868 1.00 52.41 H new ATOM 0 HG12 VAL A 35 4.677 3.852 -9.831 1.00 52.41 H new ATOM 0 HG13 VAL A 35 3.457 4.799 -10.715 1.00 52.41 H new ATOM 0 HG21 VAL A 35 3.671 3.152 -13.328 1.00 21.30 H new ATOM 0 HG22 VAL A 35 3.637 4.932 -13.293 1.00 21.30 H new ATOM 0 HG23 VAL A 35 4.982 4.083 -14.091 1.00 21.30 H new ATOM 519 N THR A 36 7.378 6.229 -10.062 1.00 61.22 N ATOM 520 CA THR A 36 8.282 6.197 -8.904 1.00 24.23 C ATOM 521 C THR A 36 7.557 5.715 -7.639 1.00 4.15 C ATOM 522 O THR A 36 7.069 6.518 -6.847 1.00 64.15 O ATOM 523 CB THR A 36 8.894 7.596 -8.623 1.00 35.24 C ATOM 524 OG1 THR A 36 9.563 8.092 -9.793 1.00 75.45 O ATOM 525 CG2 THR A 36 9.882 7.548 -7.463 1.00 74.41 C ATOM 0 H THR A 36 7.132 7.168 -10.375 1.00 61.22 H new ATOM 0 HA THR A 36 9.079 5.497 -9.153 1.00 24.23 H new ATOM 0 HB THR A 36 8.075 8.264 -8.356 1.00 35.24 H new ATOM 0 HG1 THR A 36 9.943 8.975 -9.603 1.00 75.45 H new ATOM 0 HG21 THR A 36 10.292 8.544 -7.293 1.00 74.41 H new ATOM 0 HG22 THR A 36 9.370 7.208 -6.563 1.00 74.41 H new ATOM 0 HG23 THR A 36 10.691 6.859 -7.703 1.00 74.41 H new ATOM 533 N VAL A 37 7.461 4.401 -7.464 1.00 40.33 N ATOM 534 CA VAL A 37 6.832 3.836 -6.265 1.00 14.42 C ATOM 535 C VAL A 37 7.839 3.697 -5.115 1.00 61.32 C ATOM 536 O VAL A 37 9.034 3.473 -5.336 1.00 53.45 O ATOM 537 CB VAL A 37 6.192 2.450 -6.544 1.00 64.33 C ATOM 538 CG1 VAL A 37 5.120 2.554 -7.623 1.00 12.31 C ATOM 539 CG2 VAL A 37 7.256 1.421 -6.928 1.00 14.32 C ATOM 0 H VAL A 37 7.806 3.708 -8.128 1.00 40.33 H new ATOM 0 HA VAL A 37 6.047 4.535 -5.976 1.00 14.42 H new ATOM 0 HB VAL A 37 5.714 2.110 -5.625 1.00 64.33 H new ATOM 0 HG11 VAL A 37 4.686 1.570 -7.801 1.00 12.31 H new ATOM 0 HG12 VAL A 37 4.340 3.241 -7.295 1.00 12.31 H new ATOM 0 HG13 VAL A 37 5.567 2.926 -8.545 1.00 12.31 H new ATOM 0 HG21 VAL A 37 6.780 0.459 -7.118 1.00 14.32 H new ATOM 0 HG22 VAL A 37 7.775 1.753 -7.827 1.00 14.32 H new ATOM 0 HG23 VAL A 37 7.972 1.317 -6.113 1.00 14.32 H new ATOM 549 N GLU A 38 7.356 3.844 -3.887 1.00 41.21 N ATOM 550 CA GLU A 38 8.190 3.621 -2.707 1.00 73.40 C ATOM 551 C GLU A 38 7.433 2.820 -1.644 1.00 72.31 C ATOM 552 O GLU A 38 6.315 3.165 -1.260 1.00 45.41 O ATOM 553 CB GLU A 38 8.695 4.955 -2.131 1.00 33.03 C ATOM 554 CG GLU A 38 7.607 5.935 -1.713 1.00 70.31 C ATOM 555 CD GLU A 38 8.189 7.229 -1.163 1.00 64.33 C ATOM 556 OE1 GLU A 38 8.635 7.233 0.004 1.00 61.24 O ATOM 557 OE2 GLU A 38 8.225 8.240 -1.894 1.00 31.40 O ATOM 0 H GLU A 38 6.395 4.116 -3.680 1.00 41.21 H new ATOM 0 HA GLU A 38 9.057 3.036 -3.015 1.00 73.40 H new ATOM 0 HB2 GLU A 38 9.323 4.744 -1.266 1.00 33.03 H new ATOM 0 HB3 GLU A 38 9.329 5.437 -2.875 1.00 33.03 H new ATOM 0 HG2 GLU A 38 6.971 6.158 -2.570 1.00 70.31 H new ATOM 0 HG3 GLU A 38 6.973 5.472 -0.957 1.00 70.31 H new ATOM 564 N LEU A 39 8.038 1.731 -1.185 1.00 55.32 N ATOM 565 CA LEU A 39 7.419 0.883 -0.166 1.00 63.23 C ATOM 566 C LEU A 39 7.986 1.187 1.227 1.00 62.02 C ATOM 567 O LEU A 39 9.191 1.367 1.395 1.00 33.30 O ATOM 568 CB LEU A 39 7.563 -0.613 -0.527 1.00 52.21 C ATOM 569 CG LEU A 39 8.900 -1.052 -1.166 1.00 71.34 C ATOM 570 CD1 LEU A 39 10.056 -0.990 -0.170 1.00 61.15 C ATOM 571 CD2 LEU A 39 8.772 -2.457 -1.754 1.00 61.22 C ATOM 0 H LEU A 39 8.955 1.412 -1.500 1.00 55.32 H new ATOM 0 HA LEU A 39 6.354 1.112 -0.139 1.00 63.23 H new ATOM 0 HB2 LEU A 39 7.413 -1.197 0.381 1.00 52.21 H new ATOM 0 HB3 LEU A 39 6.757 -0.876 -1.212 1.00 52.21 H new ATOM 0 HG LEU A 39 9.126 -0.351 -1.969 1.00 71.34 H new ATOM 0 HD11 LEU A 39 10.976 -1.307 -0.661 1.00 61.15 H new ATOM 0 HD12 LEU A 39 10.171 0.032 0.191 1.00 61.15 H new ATOM 0 HD13 LEU A 39 9.847 -1.651 0.671 1.00 61.15 H new ATOM 0 HD21 LEU A 39 9.721 -2.752 -2.200 1.00 61.22 H new ATOM 0 HD22 LEU A 39 8.509 -3.160 -0.963 1.00 61.22 H new ATOM 0 HD23 LEU A 39 7.995 -2.462 -2.518 1.00 61.22 H new ATOM 583 N ASN A 40 7.095 1.296 2.215 1.00 74.31 N ATOM 584 CA ASN A 40 7.491 1.547 3.611 1.00 51.33 C ATOM 585 C ASN A 40 8.247 2.885 3.750 1.00 75.03 C ATOM 586 O ASN A 40 8.936 3.126 4.743 1.00 55.33 O ATOM 587 CB ASN A 40 8.368 0.395 4.140 1.00 23.24 C ATOM 588 CG ASN A 40 7.691 -0.973 4.097 1.00 12.23 C ATOM 589 OD1 ASN A 40 6.851 -1.215 3.111 1.00 73.24 O flip ATOM 590 ND2 ASN A 40 7.946 -1.828 4.940 1.00 62.53 N flip ATOM 0 H ASN A 40 6.088 1.214 2.077 1.00 74.31 H new ATOM 0 HA ASN A 40 6.579 1.606 4.205 1.00 51.33 H new ATOM 0 HB2 ASN A 40 9.286 0.353 3.554 1.00 23.24 H new ATOM 0 HB3 ASN A 40 8.656 0.614 5.168 1.00 23.24 H new ATOM 0 HD21 ASN A 40 8.599 -1.621 5.695 1.00 62.53 H new ATOM 0 HD22 ASN A 40 7.505 -2.746 4.885 1.00 62.53 H new ATOM 597 N GLY A 41 8.095 3.762 2.757 1.00 64.31 N ATOM 598 CA GLY A 41 8.819 5.030 2.747 1.00 64.20 C ATOM 599 C GLY A 41 10.223 4.929 2.150 1.00 43.41 C ATOM 600 O GLY A 41 11.074 5.788 2.400 1.00 30.12 O ATOM 0 H GLY A 41 7.481 3.618 1.955 1.00 64.31 H new ATOM 0 HA2 GLY A 41 8.244 5.762 2.180 1.00 64.20 H new ATOM 0 HA3 GLY A 41 8.894 5.404 3.768 1.00 64.20 H new ATOM 604 N GLU A 42 10.471 3.884 1.358 1.00 50.22 N ATOM 605 CA GLU A 42 11.775 3.686 0.708 1.00 74.14 C ATOM 606 C GLU A 42 11.618 3.542 -0.819 1.00 53.03 C ATOM 607 O GLU A 42 11.047 2.566 -1.312 1.00 24.12 O ATOM 608 CB GLU A 42 12.481 2.457 1.301 1.00 62.23 C ATOM 609 CG GLU A 42 13.891 2.233 0.760 1.00 10.22 C ATOM 610 CD GLU A 42 14.659 1.178 1.544 1.00 3.01 C ATOM 611 OE1 GLU A 42 14.529 -0.025 1.227 1.00 31.33 O ATOM 612 OE2 GLU A 42 15.401 1.548 2.481 1.00 65.43 O ATOM 0 H GLU A 42 9.786 3.158 1.149 1.00 50.22 H new ATOM 0 HA GLU A 42 12.389 4.567 0.896 1.00 74.14 H new ATOM 0 HB2 GLU A 42 12.531 2.566 2.384 1.00 62.23 H new ATOM 0 HB3 GLU A 42 11.879 1.571 1.098 1.00 62.23 H new ATOM 0 HG2 GLU A 42 13.831 1.931 -0.286 1.00 10.22 H new ATOM 0 HG3 GLU A 42 14.441 3.174 0.789 1.00 10.22 H new ATOM 619 N VAL A 43 12.123 4.537 -1.553 1.00 61.33 N ATOM 620 CA VAL A 43 11.964 4.617 -3.016 1.00 12.20 C ATOM 621 C VAL A 43 12.783 3.557 -3.779 1.00 51.55 C ATOM 622 O VAL A 43 13.894 3.199 -3.383 1.00 50.42 O ATOM 623 CB VAL A 43 12.349 6.032 -3.529 1.00 62.43 C ATOM 624 CG1 VAL A 43 13.804 6.362 -3.194 1.00 55.32 C ATOM 625 CG2 VAL A 43 12.083 6.164 -5.030 1.00 0.20 C ATOM 0 H VAL A 43 12.654 5.311 -1.155 1.00 61.33 H new ATOM 0 HA VAL A 43 10.911 4.417 -3.215 1.00 12.20 H new ATOM 0 HB VAL A 43 11.718 6.757 -3.015 1.00 62.43 H new ATOM 0 HG11 VAL A 43 14.046 7.358 -3.565 1.00 55.32 H new ATOM 0 HG12 VAL A 43 13.944 6.333 -2.113 1.00 55.32 H new ATOM 0 HG13 VAL A 43 14.461 5.630 -3.665 1.00 55.32 H new ATOM 0 HG21 VAL A 43 12.361 7.164 -5.362 1.00 0.20 H new ATOM 0 HG22 VAL A 43 12.674 5.424 -5.571 1.00 0.20 H new ATOM 0 HG23 VAL A 43 11.024 5.998 -5.228 1.00 0.20 H new ATOM 635 N LEU A 44 12.215 3.059 -4.883 1.00 74.02 N ATOM 636 CA LEU A 44 12.890 2.081 -5.746 1.00 31.14 C ATOM 637 C LEU A 44 13.518 2.752 -6.984 1.00 64.12 C ATOM 638 O LEU A 44 13.221 3.906 -7.306 1.00 12.33 O ATOM 639 CB LEU A 44 11.904 0.990 -6.206 1.00 4.23 C ATOM 640 CG LEU A 44 11.381 0.033 -5.117 1.00 13.11 C ATOM 641 CD1 LEU A 44 12.540 -0.618 -4.364 1.00 63.43 C ATOM 642 CD2 LEU A 44 10.437 0.747 -4.151 1.00 33.10 C ATOM 0 H LEU A 44 11.282 3.319 -5.202 1.00 74.02 H new ATOM 0 HA LEU A 44 13.686 1.629 -5.155 1.00 31.14 H new ATOM 0 HB2 LEU A 44 11.048 1.478 -6.671 1.00 4.23 H new ATOM 0 HB3 LEU A 44 12.390 0.395 -6.979 1.00 4.23 H new ATOM 0 HG LEU A 44 10.811 -0.753 -5.614 1.00 13.11 H new ATOM 0 HD11 LEU A 44 12.147 -1.289 -3.600 1.00 63.43 H new ATOM 0 HD12 LEU A 44 13.155 -1.184 -5.063 1.00 63.43 H new ATOM 0 HD13 LEU A 44 13.146 0.155 -3.891 1.00 63.43 H new ATOM 0 HD21 LEU A 44 10.087 0.042 -3.396 1.00 33.10 H new ATOM 0 HD22 LEU A 44 10.966 1.567 -3.665 1.00 33.10 H new ATOM 0 HD23 LEU A 44 9.583 1.142 -4.702 1.00 33.10 H new ATOM 654 N GLU A 45 14.385 2.012 -7.674 1.00 22.14 N ATOM 655 CA GLU A 45 15.011 2.488 -8.913 1.00 73.51 C ATOM 656 C GLU A 45 14.113 2.184 -10.131 1.00 33.45 C ATOM 657 O GLU A 45 13.316 1.244 -10.100 1.00 43.41 O ATOM 658 CB GLU A 45 16.389 1.820 -9.076 1.00 14.33 C ATOM 659 CG GLU A 45 17.173 2.257 -10.314 1.00 73.02 C ATOM 660 CD GLU A 45 17.494 3.746 -10.322 1.00 41.43 C ATOM 661 OE1 GLU A 45 18.525 4.145 -9.742 1.00 4.20 O ATOM 662 OE2 GLU A 45 16.712 4.521 -10.911 1.00 2.13 O ATOM 0 H GLU A 45 14.673 1.074 -7.396 1.00 22.14 H new ATOM 0 HA GLU A 45 15.140 3.569 -8.856 1.00 73.51 H new ATOM 0 HB2 GLU A 45 16.987 2.034 -8.190 1.00 14.33 H new ATOM 0 HB3 GLU A 45 16.251 0.739 -9.114 1.00 14.33 H new ATOM 0 HG2 GLU A 45 18.103 1.691 -10.367 1.00 73.02 H new ATOM 0 HG3 GLU A 45 16.598 2.010 -11.207 1.00 73.02 H new ATOM 669 N ARG A 46 14.268 2.966 -11.208 1.00 3.44 N ATOM 670 CA ARG A 46 13.430 2.835 -12.418 1.00 43.13 C ATOM 671 C ARG A 46 13.388 1.398 -12.972 1.00 52.50 C ATOM 672 O ARG A 46 12.466 1.033 -13.707 1.00 1.31 O ATOM 673 CB ARG A 46 13.939 3.767 -13.529 1.00 51.32 C ATOM 674 CG ARG A 46 15.366 3.450 -13.992 1.00 24.52 C ATOM 675 CD ARG A 46 15.617 3.893 -15.430 1.00 0.51 C ATOM 676 NE ARG A 46 14.745 3.189 -16.373 1.00 22.14 N ATOM 677 CZ ARG A 46 15.167 2.381 -17.312 1.00 63.13 C ATOM 678 NH1 ARG A 46 16.434 2.167 -17.482 1.00 13.41 N ATOM 679 NH2 ARG A 46 14.313 1.779 -18.073 1.00 13.15 N ATOM 0 H ARG A 46 14.971 3.703 -11.270 1.00 3.44 H new ATOM 0 HA ARG A 46 12.421 3.110 -12.113 1.00 43.13 H new ATOM 0 HB2 ARG A 46 13.266 3.701 -14.384 1.00 51.32 H new ATOM 0 HB3 ARG A 46 13.902 4.797 -13.173 1.00 51.32 H new ATOM 0 HG2 ARG A 46 16.079 3.944 -13.332 1.00 24.52 H new ATOM 0 HG3 ARG A 46 15.544 2.378 -13.908 1.00 24.52 H new ATOM 0 HD2 ARG A 46 15.452 4.967 -15.514 1.00 0.51 H new ATOM 0 HD3 ARG A 46 16.659 3.709 -15.691 1.00 0.51 H new ATOM 0 HE ARG A 46 13.739 3.339 -16.292 1.00 22.14 H new ATOM 0 HH11 ARG A 46 17.115 2.631 -16.880 1.00 13.41 H new ATOM 0 HH12 ARG A 46 16.750 1.535 -18.217 1.00 13.41 H new ATOM 0 HH21 ARG A 46 13.314 1.934 -17.941 1.00 13.15 H new ATOM 0 HH22 ARG A 46 14.638 1.149 -18.806 1.00 13.15 H new ATOM 693 N GLU A 47 14.397 0.598 -12.645 1.00 15.25 N ATOM 694 CA GLU A 47 14.500 -0.771 -13.157 1.00 30.30 C ATOM 695 C GLU A 47 14.726 -1.789 -12.024 1.00 14.42 C ATOM 696 O GLU A 47 15.286 -2.867 -12.238 1.00 2.44 O ATOM 697 CB GLU A 47 15.625 -0.840 -14.195 1.00 31.51 C ATOM 698 CG GLU A 47 16.961 -0.296 -13.700 1.00 24.53 C ATOM 699 CD GLU A 47 17.999 -0.233 -14.806 1.00 3.24 C ATOM 700 OE1 GLU A 47 18.051 0.788 -15.522 1.00 31.30 O ATOM 701 OE2 GLU A 47 18.745 -1.217 -14.986 1.00 54.44 O ATOM 0 H GLU A 47 15.160 0.872 -12.026 1.00 15.25 H new ATOM 0 HA GLU A 47 13.556 -1.037 -13.632 1.00 30.30 H new ATOM 0 HB2 GLU A 47 15.758 -1.877 -14.503 1.00 31.51 H new ATOM 0 HB3 GLU A 47 15.323 -0.281 -15.081 1.00 31.51 H new ATOM 0 HG2 GLU A 47 16.814 0.701 -13.285 1.00 24.53 H new ATOM 0 HG3 GLU A 47 17.331 -0.927 -12.892 1.00 24.53 H new ATOM 708 N ALA A 48 14.261 -1.448 -10.823 1.00 31.20 N ATOM 709 CA ALA A 48 14.349 -2.350 -9.665 1.00 52.34 C ATOM 710 C ALA A 48 13.004 -3.048 -9.394 1.00 52.24 C ATOM 711 O ALA A 48 12.856 -3.781 -8.410 1.00 71.44 O ATOM 712 CB ALA A 48 14.802 -1.576 -8.429 1.00 1.32 C ATOM 0 H ALA A 48 13.817 -0.552 -10.622 1.00 31.20 H new ATOM 0 HA ALA A 48 15.085 -3.121 -9.894 1.00 52.34 H new ATOM 0 HB1 ALA A 48 14.864 -2.254 -7.578 1.00 1.32 H new ATOM 0 HB2 ALA A 48 15.782 -1.136 -8.614 1.00 1.32 H new ATOM 0 HB3 ALA A 48 14.084 -0.785 -8.212 1.00 1.32 H new ATOM 718 N PHE A 49 12.031 -2.829 -10.281 1.00 23.22 N ATOM 719 CA PHE A 49 10.680 -3.385 -10.114 1.00 14.40 C ATOM 720 C PHE A 49 10.645 -4.892 -10.435 1.00 34.03 C ATOM 721 O PHE A 49 9.802 -5.629 -9.917 1.00 73.45 O ATOM 722 CB PHE A 49 9.678 -2.627 -11.002 1.00 2.43 C ATOM 723 CG PHE A 49 9.708 -1.125 -10.816 1.00 32.25 C ATOM 724 CD1 PHE A 49 9.613 -0.562 -9.549 1.00 41.34 C ATOM 725 CD2 PHE A 49 9.832 -0.277 -11.909 1.00 34.53 C ATOM 726 CE1 PHE A 49 9.646 0.811 -9.381 1.00 64.51 C ATOM 727 CE2 PHE A 49 9.862 1.096 -11.743 1.00 44.54 C ATOM 728 CZ PHE A 49 9.771 1.640 -10.477 1.00 4.52 C ATOM 0 H PHE A 49 12.151 -2.270 -11.125 1.00 23.22 H new ATOM 0 HA PHE A 49 10.396 -3.261 -9.069 1.00 14.40 H new ATOM 0 HB2 PHE A 49 9.886 -2.858 -12.047 1.00 2.43 H new ATOM 0 HB3 PHE A 49 8.672 -2.990 -10.789 1.00 2.43 H new ATOM 0 HD1 PHE A 49 9.512 -1.203 -8.686 1.00 41.34 H new ATOM 0 HD2 PHE A 49 9.906 -0.695 -12.902 1.00 34.53 H new ATOM 0 HE1 PHE A 49 9.574 1.235 -8.390 1.00 64.51 H new ATOM 0 HE2 PHE A 49 9.957 1.742 -12.603 1.00 44.54 H new ATOM 0 HZ PHE A 49 9.798 2.712 -10.345 1.00 4.52 H new ATOM 738 N ASP A 50 11.552 -5.337 -11.307 1.00 45.11 N ATOM 739 CA ASP A 50 11.703 -6.766 -11.618 1.00 75.33 C ATOM 740 C ASP A 50 12.375 -7.516 -10.457 1.00 44.10 C ATOM 741 O ASP A 50 12.006 -8.645 -10.134 1.00 23.51 O ATOM 742 CB ASP A 50 12.528 -6.948 -12.900 1.00 41.15 C ATOM 743 CG ASP A 50 11.844 -6.359 -14.121 1.00 73.53 C ATOM 744 OD1 ASP A 50 12.025 -5.154 -14.386 1.00 74.30 O ATOM 745 OD2 ASP A 50 11.120 -7.098 -14.820 1.00 34.33 O ATOM 0 H ASP A 50 12.196 -4.729 -11.813 1.00 45.11 H new ATOM 0 HA ASP A 50 10.707 -7.183 -11.769 1.00 75.33 H new ATOM 0 HB2 ASP A 50 13.502 -6.477 -12.771 1.00 41.15 H new ATOM 0 HB3 ASP A 50 12.707 -8.010 -13.065 1.00 41.15 H new ATOM 750 N ALA A 51 13.358 -6.871 -9.832 1.00 25.44 N ATOM 751 CA ALA A 51 14.090 -7.466 -8.709 1.00 60.51 C ATOM 752 C ALA A 51 13.240 -7.520 -7.430 1.00 50.33 C ATOM 753 O ALA A 51 13.232 -8.524 -6.719 1.00 40.24 O ATOM 754 CB ALA A 51 15.378 -6.688 -8.455 1.00 12.13 C ATOM 0 H ALA A 51 13.669 -5.933 -10.083 1.00 25.44 H new ATOM 0 HA ALA A 51 14.333 -8.493 -8.981 1.00 60.51 H new ATOM 0 HB1 ALA A 51 15.915 -7.137 -7.619 1.00 12.13 H new ATOM 0 HB2 ALA A 51 16.004 -6.719 -9.347 1.00 12.13 H new ATOM 0 HB3 ALA A 51 15.136 -5.652 -8.217 1.00 12.13 H new ATOM 760 N THR A 52 12.521 -6.435 -7.146 1.00 5.34 N ATOM 761 CA THR A 52 11.711 -6.340 -5.925 1.00 13.33 C ATOM 762 C THR A 52 10.424 -7.171 -6.023 1.00 35.24 C ATOM 763 O THR A 52 9.490 -6.813 -6.745 1.00 33.54 O ATOM 764 CB THR A 52 11.339 -4.872 -5.606 1.00 13.53 C ATOM 765 OG1 THR A 52 12.532 -4.086 -5.461 1.00 11.14 O ATOM 766 CG2 THR A 52 10.506 -4.775 -4.328 1.00 10.25 C ATOM 0 H THR A 52 12.481 -5.608 -7.742 1.00 5.34 H new ATOM 0 HA THR A 52 12.327 -6.740 -5.120 1.00 13.33 H new ATOM 0 HB THR A 52 10.743 -4.489 -6.434 1.00 13.53 H new ATOM 0 HG1 THR A 52 12.870 -3.837 -6.347 1.00 11.14 H new ATOM 0 HG21 THR A 52 10.261 -3.731 -4.132 1.00 10.25 H new ATOM 0 HG22 THR A 52 9.586 -5.347 -4.449 1.00 10.25 H new ATOM 0 HG23 THR A 52 11.076 -5.178 -3.491 1.00 10.25 H new ATOM 774 N THR A 53 10.387 -8.286 -5.294 1.00 0.22 N ATOM 775 CA THR A 53 9.197 -9.147 -5.234 1.00 72.00 C ATOM 776 C THR A 53 8.295 -8.773 -4.051 1.00 52.23 C ATOM 777 O THR A 53 8.758 -8.645 -2.914 1.00 4.40 O ATOM 778 CB THR A 53 9.577 -10.646 -5.118 1.00 31.02 C ATOM 779 OG1 THR A 53 10.408 -10.862 -3.963 1.00 33.34 O ATOM 780 CG2 THR A 53 10.307 -11.126 -6.372 1.00 4.11 C ATOM 0 H THR A 53 11.170 -8.619 -4.732 1.00 0.22 H new ATOM 0 HA THR A 53 8.656 -8.988 -6.167 1.00 72.00 H new ATOM 0 HB THR A 53 8.655 -11.218 -5.012 1.00 31.02 H new ATOM 0 HG1 THR A 53 10.058 -10.346 -3.207 1.00 33.34 H new ATOM 0 HG21 THR A 53 10.562 -12.180 -6.264 1.00 4.11 H new ATOM 0 HG22 THR A 53 9.662 -10.996 -7.241 1.00 4.11 H new ATOM 0 HG23 THR A 53 11.219 -10.545 -6.507 1.00 4.11 H new ATOM 788 N VAL A 54 7.008 -8.601 -4.323 1.00 34.23 N ATOM 789 CA VAL A 54 6.039 -8.235 -3.287 1.00 73.15 C ATOM 790 C VAL A 54 5.191 -9.448 -2.868 1.00 50.34 C ATOM 791 O VAL A 54 4.908 -10.329 -3.681 1.00 33.13 O ATOM 792 CB VAL A 54 5.101 -7.103 -3.779 1.00 4.10 C ATOM 793 CG1 VAL A 54 4.182 -6.626 -2.657 1.00 32.32 C ATOM 794 CG2 VAL A 54 5.911 -5.940 -4.347 1.00 54.15 C ATOM 0 H VAL A 54 6.606 -8.708 -5.254 1.00 34.23 H new ATOM 0 HA VAL A 54 6.606 -7.882 -2.426 1.00 73.15 H new ATOM 0 HB VAL A 54 4.476 -7.506 -4.576 1.00 4.10 H new ATOM 0 HG11 VAL A 54 3.535 -5.832 -3.030 1.00 32.32 H new ATOM 0 HG12 VAL A 54 3.571 -7.459 -2.308 1.00 32.32 H new ATOM 0 HG13 VAL A 54 4.783 -6.246 -1.831 1.00 32.32 H new ATOM 0 HG21 VAL A 54 5.234 -5.156 -4.687 1.00 54.15 H new ATOM 0 HG22 VAL A 54 6.568 -5.542 -3.573 1.00 54.15 H new ATOM 0 HG23 VAL A 54 6.511 -6.290 -5.187 1.00 54.15 H new ATOM 804 N LYS A 55 4.793 -9.491 -1.597 1.00 62.33 N ATOM 805 CA LYS A 55 3.952 -10.582 -1.078 1.00 34.14 C ATOM 806 C LYS A 55 2.766 -10.037 -0.268 1.00 64.05 C ATOM 807 O LYS A 55 2.545 -8.828 -0.194 1.00 34.33 O ATOM 808 CB LYS A 55 4.773 -11.544 -0.200 1.00 42.20 C ATOM 809 CG LYS A 55 5.807 -12.374 -0.958 1.00 70.05 C ATOM 810 CD LYS A 55 6.456 -13.413 -0.044 1.00 74.13 C ATOM 811 CE LYS A 55 7.452 -14.298 -0.787 1.00 44.43 C ATOM 812 NZ LYS A 55 7.991 -15.379 0.084 1.00 44.21 N ATOM 0 H LYS A 55 5.037 -8.785 -0.903 1.00 62.33 H new ATOM 0 HA LYS A 55 3.567 -11.127 -1.940 1.00 34.14 H new ATOM 0 HB2 LYS A 55 5.285 -10.965 0.569 1.00 42.20 H new ATOM 0 HB3 LYS A 55 4.089 -12.220 0.312 1.00 42.20 H new ATOM 0 HG2 LYS A 55 5.330 -12.874 -1.801 1.00 70.05 H new ATOM 0 HG3 LYS A 55 6.574 -11.718 -1.370 1.00 70.05 H new ATOM 0 HD2 LYS A 55 6.965 -12.905 0.775 1.00 74.13 H new ATOM 0 HD3 LYS A 55 5.681 -14.037 0.401 1.00 74.13 H new ATOM 0 HE2 LYS A 55 6.966 -14.741 -1.657 1.00 44.43 H new ATOM 0 HE3 LYS A 55 8.275 -13.687 -1.158 1.00 44.43 H new ATOM 0 HZ1 LYS A 55 8.664 -15.958 -0.458 1.00 44.21 H new ATOM 0 HZ2 LYS A 55 8.477 -14.957 0.901 1.00 44.21 H new ATOM 0 HZ3 LYS A 55 7.209 -15.978 0.418 1.00 44.21 H new ATOM 826 N ASP A 56 2.005 -10.945 0.336 1.00 54.35 N ATOM 827 CA ASP A 56 0.857 -10.572 1.160 1.00 72.23 C ATOM 828 C ASP A 56 1.303 -9.840 2.440 1.00 22.13 C ATOM 829 O ASP A 56 1.930 -10.434 3.320 1.00 72.54 O ATOM 830 CB ASP A 56 0.058 -11.829 1.524 1.00 5.11 C ATOM 831 CG ASP A 56 -1.286 -11.505 2.150 1.00 34.32 C ATOM 832 OD1 ASP A 56 -1.347 -11.302 3.377 1.00 14.51 O ATOM 833 OD2 ASP A 56 -2.289 -11.450 1.412 1.00 11.55 O ATOM 0 H ASP A 56 2.163 -11.951 0.270 1.00 54.35 H new ATOM 0 HA ASP A 56 0.228 -9.891 0.587 1.00 72.23 H new ATOM 0 HB2 ASP A 56 -0.098 -12.428 0.627 1.00 5.11 H new ATOM 0 HB3 ASP A 56 0.640 -12.437 2.216 1.00 5.11 H new ATOM 838 N GLY A 57 0.996 -8.549 2.527 1.00 21.52 N ATOM 839 CA GLY A 57 1.294 -7.784 3.734 1.00 52.12 C ATOM 840 C GLY A 57 2.513 -6.871 3.605 1.00 33.41 C ATOM 841 O GLY A 57 3.536 -7.098 4.255 1.00 61.33 O ATOM 0 H GLY A 57 0.545 -8.015 1.784 1.00 21.52 H new ATOM 0 HA2 GLY A 57 0.425 -7.179 3.992 1.00 52.12 H new ATOM 0 HA3 GLY A 57 1.457 -8.476 4.560 1.00 52.12 H new ATOM 845 N ASP A 58 2.408 -5.846 2.760 1.00 42.44 N ATOM 846 CA ASP A 58 3.433 -4.796 2.676 1.00 60.51 C ATOM 847 C ASP A 58 2.789 -3.457 2.266 1.00 15.41 C ATOM 848 O ASP A 58 1.671 -3.431 1.746 1.00 54.44 O ATOM 849 CB ASP A 58 4.545 -5.192 1.690 1.00 12.53 C ATOM 850 CG ASP A 58 5.809 -4.361 1.883 1.00 22.02 C ATOM 851 OD1 ASP A 58 5.851 -3.210 1.411 1.00 75.45 O ATOM 852 OD2 ASP A 58 6.754 -4.846 2.540 1.00 5.25 O ATOM 0 H ASP A 58 1.623 -5.717 2.121 1.00 42.44 H new ATOM 0 HA ASP A 58 3.887 -4.677 3.660 1.00 60.51 H new ATOM 0 HB2 ASP A 58 4.783 -6.248 1.819 1.00 12.53 H new ATOM 0 HB3 ASP A 58 4.184 -5.069 0.669 1.00 12.53 H new ATOM 857 N ALA A 59 3.493 -2.351 2.498 1.00 40.12 N ATOM 858 CA ALA A 59 2.941 -1.011 2.261 1.00 51.21 C ATOM 859 C ALA A 59 3.623 -0.293 1.085 1.00 53.20 C ATOM 860 O ALA A 59 4.708 0.271 1.233 1.00 41.33 O ATOM 861 CB ALA A 59 3.054 -0.169 3.528 1.00 32.25 C ATOM 0 H ALA A 59 4.450 -2.353 2.851 1.00 40.12 H new ATOM 0 HA ALA A 59 1.892 -1.136 1.994 1.00 51.21 H new ATOM 0 HB1 ALA A 59 2.642 0.823 3.343 1.00 32.25 H new ATOM 0 HB2 ALA A 59 2.498 -0.648 4.334 1.00 32.25 H new ATOM 0 HB3 ALA A 59 4.102 -0.080 3.813 1.00 32.25 H new ATOM 867 N VAL A 60 2.982 -0.318 -0.082 1.00 53.52 N ATOM 868 CA VAL A 60 3.468 0.418 -1.262 1.00 53.12 C ATOM 869 C VAL A 60 2.771 1.782 -1.389 1.00 30.52 C ATOM 870 O VAL A 60 1.546 1.879 -1.303 1.00 52.41 O ATOM 871 CB VAL A 60 3.257 -0.399 -2.567 1.00 31.42 C ATOM 872 CG1 VAL A 60 1.795 -0.821 -2.726 1.00 75.20 C ATOM 873 CG2 VAL A 60 3.727 0.396 -3.790 1.00 23.02 C ATOM 0 H VAL A 60 2.121 -0.840 -0.242 1.00 53.52 H new ATOM 0 HA VAL A 60 4.537 0.578 -1.121 1.00 53.12 H new ATOM 0 HB VAL A 60 3.861 -1.304 -2.494 1.00 31.42 H new ATOM 0 HG11 VAL A 60 1.679 -1.391 -3.648 1.00 75.20 H new ATOM 0 HG12 VAL A 60 1.500 -1.439 -1.878 1.00 75.20 H new ATOM 0 HG13 VAL A 60 1.163 0.066 -2.766 1.00 75.20 H new ATOM 0 HG21 VAL A 60 3.569 -0.196 -4.691 1.00 23.02 H new ATOM 0 HG22 VAL A 60 3.159 1.324 -3.861 1.00 23.02 H new ATOM 0 HG23 VAL A 60 4.787 0.627 -3.688 1.00 23.02 H new ATOM 883 N GLU A 61 3.554 2.840 -1.589 1.00 24.44 N ATOM 884 CA GLU A 61 3.007 4.199 -1.674 1.00 64.43 C ATOM 885 C GLU A 61 3.070 4.764 -3.101 1.00 20.41 C ATOM 886 O GLU A 61 4.140 4.864 -3.702 1.00 50.01 O ATOM 887 CB GLU A 61 3.752 5.132 -0.710 1.00 22.11 C ATOM 888 CG GLU A 61 3.651 4.702 0.748 1.00 20.22 C ATOM 889 CD GLU A 61 4.287 5.701 1.699 1.00 72.31 C ATOM 890 OE1 GLU A 61 3.618 6.696 2.056 1.00 13.11 O ATOM 891 OE2 GLU A 61 5.449 5.495 2.104 1.00 63.31 O ATOM 0 H GLU A 61 4.567 2.786 -1.695 1.00 24.44 H new ATOM 0 HA GLU A 61 1.956 4.141 -1.390 1.00 64.43 H new ATOM 0 HB2 GLU A 61 4.803 5.174 -0.997 1.00 22.11 H new ATOM 0 HB3 GLU A 61 3.353 6.141 -0.812 1.00 22.11 H new ATOM 0 HG2 GLU A 61 2.602 4.572 1.012 1.00 20.22 H new ATOM 0 HG3 GLU A 61 4.133 3.732 0.871 1.00 20.22 H new ATOM 898 N PHE A 62 1.902 5.119 -3.636 1.00 63.33 N ATOM 899 CA PHE A 62 1.797 5.804 -4.931 1.00 41.31 C ATOM 900 C PHE A 62 1.598 7.315 -4.754 1.00 70.30 C ATOM 901 O PHE A 62 0.749 7.750 -3.971 1.00 33.31 O ATOM 902 CB PHE A 62 0.631 5.228 -5.737 1.00 4.42 C ATOM 903 CG PHE A 62 0.989 3.996 -6.516 1.00 31.33 C ATOM 904 CD1 PHE A 62 1.106 2.766 -5.891 1.00 65.43 C ATOM 905 CD2 PHE A 62 1.215 4.081 -7.878 1.00 64.42 C ATOM 906 CE1 PHE A 62 1.439 1.636 -6.618 1.00 12.53 C ATOM 907 CE2 PHE A 62 1.547 2.959 -8.611 1.00 44.21 C ATOM 908 CZ PHE A 62 1.661 1.735 -7.982 1.00 74.33 C ATOM 0 H PHE A 62 1.003 4.942 -3.188 1.00 63.33 H new ATOM 0 HA PHE A 62 2.732 5.642 -5.467 1.00 41.31 H new ATOM 0 HB2 PHE A 62 -0.188 4.993 -5.058 1.00 4.42 H new ATOM 0 HB3 PHE A 62 0.265 5.990 -6.426 1.00 4.42 H new ATOM 0 HD1 PHE A 62 0.936 2.688 -4.827 1.00 65.43 H new ATOM 0 HD2 PHE A 62 1.131 5.037 -8.374 1.00 64.42 H new ATOM 0 HE1 PHE A 62 1.526 0.680 -6.123 1.00 12.53 H new ATOM 0 HE2 PHE A 62 1.717 3.039 -9.675 1.00 44.21 H new ATOM 0 HZ PHE A 62 1.923 0.856 -8.552 1.00 74.33 H new ATOM 918 N LEU A 63 2.372 8.113 -5.485 1.00 44.03 N ATOM 919 CA LEU A 63 2.251 9.571 -5.415 1.00 62.21 C ATOM 920 C LEU A 63 2.040 10.203 -6.806 1.00 14.23 C ATOM 921 O LEU A 63 2.924 10.171 -7.658 1.00 73.42 O ATOM 922 CB LEU A 63 3.474 10.196 -4.706 1.00 13.21 C ATOM 923 CG LEU A 63 4.862 9.680 -5.150 1.00 5.42 C ATOM 924 CD1 LEU A 63 5.957 10.668 -4.754 1.00 33.01 C ATOM 925 CD2 LEU A 63 5.159 8.304 -4.544 1.00 11.41 C ATOM 0 H LEU A 63 3.087 7.779 -6.131 1.00 44.03 H new ATOM 0 HA LEU A 63 1.362 9.790 -4.823 1.00 62.21 H new ATOM 0 HB2 LEU A 63 3.445 11.275 -4.861 1.00 13.21 H new ATOM 0 HB3 LEU A 63 3.372 10.025 -3.634 1.00 13.21 H new ATOM 0 HG LEU A 63 4.847 9.584 -6.236 1.00 5.42 H new ATOM 0 HD11 LEU A 63 6.926 10.286 -5.076 1.00 33.01 H new ATOM 0 HD12 LEU A 63 5.770 11.630 -5.232 1.00 33.01 H new ATOM 0 HD13 LEU A 63 5.958 10.795 -3.671 1.00 33.01 H new ATOM 0 HD21 LEU A 63 6.141 7.966 -4.873 1.00 11.41 H new ATOM 0 HD22 LEU A 63 5.145 8.375 -3.456 1.00 11.41 H new ATOM 0 HD23 LEU A 63 4.402 7.591 -4.871 1.00 11.41 H new