USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 626 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 41 ASN : amide:sc= -2.61 K(o=-1.5,f=-7.7!) USER MOD Set 1.2: A 43 SER OG : rot 82:sc= 1.14 USER MOD Single : A 1 ASN : amide:sc= -0.0362 X(o=-0.036,f=0) USER MOD Single : A 2 GLN : amide:sc= -0.136 K(o=-0.14,f=-0.72) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A -4 MET CE :methyl -160:sc= -0.0373 (180deg=-0.331) USER MOD Single : A -4 MET N :NH3+ 145:sc= -0.0715 (180deg=-0.294) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 16 ASN : amide:sc= -0.194 K(o=-0.19,f=-1.1) USER MOD Single : A 29 SER OG : rot 62:sc= 0.0395 USER MOD Single : A 30 TYR OH : rot -171:sc= -1.24! USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc=-0.00622 X(o=-0.0062,f=-0.14) USER MOD Single : A 34 GLN : amide:sc= -0.254 K(o=-0.25,f=-2.4!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.861 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= -1.2 USER MOD Single : A 59 GLN : amide:sc= -0.376 X(o=-0.38,f=-0.087) USER MOD Single : B 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 SER OG : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot 180:sc= 0.0318 USER MOD Single : B -4 SER OG : rot 180:sc= 0 USER MOD Single : B -8 LYS NZ :NH3+ -154:sc= -0.0762 (180deg=-0.902) USER MOD Single : B -9 GLY N :NH3+ -113:sc= 0.0973 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -4 2.235 1.092 -1.051 1.00 34.14 N ATOM 2 CA MET A -4 3.485 0.378 -1.284 1.00 12.31 C ATOM 3 C MET A -4 3.218 -1.069 -1.684 1.00 21.31 C ATOM 4 O MET A -4 3.990 -1.968 -1.350 1.00 0.53 O ATOM 5 CB MET A -4 4.362 0.420 -0.031 1.00 42.23 C ATOM 6 CG MET A -4 5.008 1.774 0.213 1.00 4.21 C ATOM 7 SD MET A -4 6.585 1.956 -0.643 1.00 54.34 S ATOM 8 CE MET A -4 7.631 0.887 0.342 1.00 73.13 C ATOM 0 H1 MET A -4 2.365 1.775 -0.278 1.00 34.14 H new ATOM 0 H2 MET A -4 1.957 1.597 -1.917 1.00 34.14 H new ATOM 0 H3 MET A -4 1.491 0.413 -0.792 1.00 34.14 H new ATOM 0 HA MET A -4 4.009 0.871 -2.102 1.00 12.31 H new ATOM 0 HB2 MET A -4 3.757 0.154 0.835 1.00 42.23 H new ATOM 0 HB3 MET A -4 5.143 -0.336 -0.118 1.00 42.23 H new ATOM 0 HG2 MET A -4 4.328 2.561 -0.115 1.00 4.21 H new ATOM 0 HG3 MET A -4 5.162 1.911 1.283 1.00 4.21 H new ATOM 0 HE1 MET A -4 8.676 1.152 0.181 1.00 73.13 H new ATOM 0 HE2 MET A -4 7.384 1.008 1.397 1.00 73.13 H new ATOM 0 HE3 MET A -4 7.470 -0.150 0.049 1.00 73.13 H new ATOM 18 N ALA A -3 2.121 -1.288 -2.401 1.00 14.12 N ATOM 19 CA ALA A -3 1.754 -2.626 -2.847 1.00 73.03 C ATOM 20 C ALA A -3 1.985 -2.787 -4.346 1.00 30.31 C ATOM 21 O ALA A -3 1.042 -2.996 -5.110 1.00 20.32 O ATOM 22 CB ALA A -3 0.301 -2.918 -2.501 1.00 23.31 C ATOM 0 H ALA A -3 1.471 -0.556 -2.686 1.00 14.12 H new ATOM 0 HA ALA A -3 2.391 -3.343 -2.328 1.00 73.03 H new ATOM 0 HB1 ALA A -3 0.041 -3.921 -2.840 1.00 23.31 H new ATOM 0 HB2 ALA A -3 0.164 -2.853 -1.422 1.00 23.31 H new ATOM 0 HB3 ALA A -3 -0.344 -2.190 -2.993 1.00 23.31 H new ATOM 28 N ILE A -2 3.244 -2.688 -4.760 1.00 33.23 N ATOM 29 CA ILE A -2 3.598 -2.824 -6.167 1.00 54.31 C ATOM 30 C ILE A -2 4.669 -3.891 -6.364 1.00 42.54 C ATOM 31 O ILE A -2 5.783 -3.769 -5.854 1.00 32.34 O ATOM 32 CB ILE A -2 4.102 -1.491 -6.752 1.00 22.15 C ATOM 33 CG1 ILE A -2 3.028 -0.410 -6.615 1.00 60.01 C ATOM 34 CG2 ILE A -2 4.500 -1.669 -8.209 1.00 43.11 C ATOM 35 CD1 ILE A -2 3.067 0.317 -5.289 1.00 20.40 C ATOM 0 H ILE A -2 4.036 -2.514 -4.141 1.00 33.23 H new ATOM 0 HA ILE A -2 2.691 -3.122 -6.693 1.00 54.31 H new ATOM 0 HB ILE A -2 4.982 -1.175 -6.192 1.00 22.15 H new ATOM 0 HG12 ILE A -2 3.148 0.314 -7.421 1.00 60.01 H new ATOM 0 HG13 ILE A -2 2.046 -0.867 -6.741 1.00 60.01 H new ATOM 0 HG21 ILE A -2 4.854 -0.718 -8.608 1.00 43.11 H new ATOM 0 HG22 ILE A -2 5.295 -2.411 -8.281 1.00 43.11 H new ATOM 0 HG23 ILE A -2 3.637 -2.005 -8.784 1.00 43.11 H new ATOM 0 HD11 ILE A -2 2.278 1.068 -5.263 1.00 20.40 H new ATOM 0 HD12 ILE A -2 2.916 -0.396 -4.479 1.00 20.40 H new ATOM 0 HD13 ILE A -2 4.035 0.803 -5.169 1.00 20.40 H new ATOM 47 N VAL A -1 4.326 -4.936 -7.110 1.00 53.34 N ATOM 48 CA VAL A -1 5.259 -6.023 -7.378 1.00 70.44 C ATOM 49 C VAL A -1 6.387 -5.566 -8.297 1.00 33.12 C ATOM 50 O VAL A -1 7.504 -6.077 -8.227 1.00 14.15 O ATOM 51 CB VAL A -1 4.547 -7.229 -8.020 1.00 35.14 C ATOM 52 CG1 VAL A -1 4.032 -6.870 -9.405 1.00 73.42 C ATOM 53 CG2 VAL A -1 5.481 -8.428 -8.083 1.00 1.33 C ATOM 0 H VAL A -1 3.408 -5.053 -7.540 1.00 53.34 H new ATOM 0 HA VAL A -1 5.676 -6.325 -6.417 1.00 70.44 H new ATOM 0 HB VAL A -1 3.692 -7.496 -7.399 1.00 35.14 H new ATOM 0 HG11 VAL A -1 3.532 -7.734 -9.843 1.00 73.42 H new ATOM 0 HG12 VAL A -1 3.326 -6.043 -9.328 1.00 73.42 H new ATOM 0 HG13 VAL A -1 4.868 -6.575 -10.039 1.00 73.42 H new ATOM 0 HG21 VAL A -1 4.961 -9.270 -8.539 1.00 1.33 H new ATOM 0 HG22 VAL A -1 6.357 -8.176 -8.680 1.00 1.33 H new ATOM 0 HG23 VAL A -1 5.795 -8.698 -7.075 1.00 1.33 H new ATOM 63 N ASN A 1 6.086 -4.599 -9.158 1.00 20.50 N ATOM 64 CA ASN A 1 7.075 -4.073 -10.091 1.00 40.54 C ATOM 65 C ASN A 1 7.536 -5.154 -11.063 1.00 61.25 C ATOM 66 O ASN A 1 8.734 -5.366 -11.248 1.00 22.21 O ATOM 67 CB ASN A 1 8.277 -3.510 -9.330 1.00 12.14 C ATOM 68 CG ASN A 1 8.921 -2.340 -10.049 1.00 21.43 C ATOM 69 OD1 ASN A 1 10.061 -2.429 -10.504 1.00 63.42 O ATOM 70 ND2 ASN A 1 8.191 -1.236 -10.153 1.00 44.24 N ATOM 0 H ASN A 1 5.166 -4.164 -9.229 1.00 20.50 H new ATOM 0 HA ASN A 1 6.607 -3.271 -10.662 1.00 40.54 H new ATOM 0 HB2 ASN A 1 7.958 -3.192 -8.337 1.00 12.14 H new ATOM 0 HB3 ASN A 1 9.017 -4.298 -9.190 1.00 12.14 H new ATOM 0 HD21 ASN A 1 8.571 -0.416 -10.626 1.00 44.24 H new ATOM 0 HD22 ASN A 1 7.250 -1.208 -9.760 1.00 44.24 H new ATOM 77 N GLN A 2 6.576 -5.834 -11.682 1.00 62.22 N ATOM 78 CA GLN A 2 6.884 -6.894 -12.635 1.00 42.24 C ATOM 79 C GLN A 2 6.630 -6.430 -14.066 1.00 30.12 C ATOM 80 O GLN A 2 5.546 -5.943 -14.387 1.00 41.23 O ATOM 81 CB GLN A 2 6.048 -8.139 -12.334 1.00 11.30 C ATOM 82 CG GLN A 2 6.479 -9.366 -13.120 1.00 71.23 C ATOM 83 CD GLN A 2 7.893 -9.802 -12.793 1.00 24.13 C ATOM 84 OE1 GLN A 2 8.353 -9.657 -11.660 1.00 23.24 O ATOM 85 NE2 GLN A 2 8.592 -10.340 -13.785 1.00 63.04 N ATOM 0 H GLN A 2 5.579 -5.670 -11.541 1.00 62.22 H new ATOM 0 HA GLN A 2 7.941 -7.142 -12.535 1.00 42.24 H new ATOM 0 HB2 GLN A 2 6.111 -8.360 -11.268 1.00 11.30 H new ATOM 0 HB3 GLN A 2 5.002 -7.926 -12.554 1.00 11.30 H new ATOM 0 HG2 GLN A 2 5.792 -10.186 -12.911 1.00 71.23 H new ATOM 0 HG3 GLN A 2 6.406 -9.154 -14.187 1.00 71.23 H new ATOM 0 HE21 GLN A 2 8.172 -10.441 -14.709 1.00 63.04 H new ATOM 0 HE22 GLN A 2 9.550 -10.652 -13.623 1.00 63.04 H new ATOM 94 N ARG A 3 7.636 -6.585 -14.920 1.00 40.43 N ATOM 95 CA ARG A 3 7.522 -6.180 -16.316 1.00 73.13 C ATOM 96 C ARG A 3 6.749 -7.221 -17.122 1.00 45.53 C ATOM 97 O ARG A 3 6.621 -8.372 -16.707 1.00 13.42 O ATOM 98 CB ARG A 3 8.910 -5.975 -16.925 1.00 70.24 C ATOM 99 CG ARG A 3 9.634 -7.274 -17.242 1.00 0.42 C ATOM 100 CD ARG A 3 11.096 -7.212 -16.826 1.00 55.13 C ATOM 101 NE ARG A 3 11.613 -8.524 -16.448 1.00 32.20 N ATOM 102 CZ ARG A 3 12.907 -8.819 -16.404 1.00 63.34 C ATOM 103 NH1 ARG A 3 13.811 -7.900 -16.714 1.00 10.35 N ATOM 104 NH2 ARG A 3 13.300 -10.036 -16.050 1.00 60.34 N ATOM 0 H ARG A 3 8.539 -6.988 -14.670 1.00 40.43 H new ATOM 0 HA ARG A 3 6.975 -5.238 -16.352 1.00 73.13 H new ATOM 0 HB2 ARG A 3 8.813 -5.390 -17.840 1.00 70.24 H new ATOM 0 HB3 ARG A 3 9.517 -5.389 -16.235 1.00 70.24 H new ATOM 0 HG2 ARG A 3 9.143 -8.100 -16.728 1.00 0.42 H new ATOM 0 HG3 ARG A 3 9.567 -7.478 -18.311 1.00 0.42 H new ATOM 0 HD2 ARG A 3 11.690 -6.811 -17.647 1.00 55.13 H new ATOM 0 HD3 ARG A 3 11.206 -6.524 -15.988 1.00 55.13 H new ATOM 0 HE ARG A 3 10.944 -9.254 -16.204 1.00 32.20 H new ATOM 0 HH11 ARG A 3 13.513 -6.963 -16.987 1.00 10.35 H new ATOM 0 HH12 ARG A 3 14.804 -8.130 -16.679 1.00 10.35 H new ATOM 0 HH21 ARG A 3 12.608 -10.746 -15.811 1.00 60.34 H new ATOM 0 HH22 ARG A 3 14.294 -10.261 -16.017 1.00 60.34 H new ATOM 118 N ALA A 4 6.237 -6.806 -18.277 1.00 23.43 N ATOM 119 CA ALA A 4 5.479 -7.702 -19.141 1.00 64.33 C ATOM 120 C ALA A 4 5.503 -7.220 -20.588 1.00 3.23 C ATOM 121 O ALA A 4 5.660 -6.028 -20.853 1.00 15.34 O ATOM 122 CB ALA A 4 4.045 -7.825 -18.647 1.00 45.53 C ATOM 0 H ALA A 4 6.334 -5.856 -18.635 1.00 23.43 H new ATOM 0 HA ALA A 4 5.949 -8.685 -19.105 1.00 64.33 H new ATOM 0 HB1 ALA A 4 3.491 -8.497 -19.302 1.00 45.53 H new ATOM 0 HB2 ALA A 4 4.043 -8.223 -17.632 1.00 45.53 H new ATOM 0 HB3 ALA A 4 3.573 -6.843 -18.652 1.00 45.53 H new ATOM 128 N VAL A 5 5.348 -8.154 -21.521 1.00 3.31 N ATOM 129 CA VAL A 5 5.352 -7.823 -22.941 1.00 33.40 C ATOM 130 C VAL A 5 3.940 -7.851 -23.515 1.00 13.30 C ATOM 131 O VAL A 5 3.078 -8.587 -23.036 1.00 21.21 O ATOM 132 CB VAL A 5 6.238 -8.796 -23.741 1.00 63.02 C ATOM 133 CG1 VAL A 5 5.635 -10.193 -23.740 1.00 4.51 C ATOM 134 CG2 VAL A 5 6.433 -8.292 -25.163 1.00 51.31 C ATOM 0 H VAL A 5 5.218 -9.145 -21.319 1.00 3.31 H new ATOM 0 HA VAL A 5 5.758 -6.815 -23.030 1.00 33.40 H new ATOM 0 HB VAL A 5 7.215 -8.848 -23.261 1.00 63.02 H new ATOM 0 HG11 VAL A 5 6.275 -10.866 -24.310 1.00 4.51 H new ATOM 0 HG12 VAL A 5 5.552 -10.553 -22.714 1.00 4.51 H new ATOM 0 HG13 VAL A 5 4.645 -10.162 -24.195 1.00 4.51 H new ATOM 0 HG21 VAL A 5 7.061 -8.992 -25.714 1.00 51.31 H new ATOM 0 HG22 VAL A 5 5.464 -8.209 -25.656 1.00 51.31 H new ATOM 0 HG23 VAL A 5 6.913 -7.314 -25.140 1.00 51.31 H new ATOM 144 N ALA A 6 3.710 -7.043 -24.545 1.00 11.10 N ATOM 145 CA ALA A 6 2.403 -6.976 -25.187 1.00 32.24 C ATOM 146 C ALA A 6 2.297 -7.987 -26.323 1.00 71.23 C ATOM 147 O ALA A 6 2.894 -7.807 -27.386 1.00 33.12 O ATOM 148 CB ALA A 6 2.139 -5.569 -25.703 1.00 25.32 C ATOM 0 H ALA A 6 4.412 -6.426 -24.953 1.00 11.10 H new ATOM 0 HA ALA A 6 1.647 -7.225 -24.442 1.00 32.24 H new ATOM 0 HB1 ALA A 6 1.159 -5.534 -26.180 1.00 25.32 H new ATOM 0 HB2 ALA A 6 2.162 -4.866 -24.871 1.00 25.32 H new ATOM 0 HB3 ALA A 6 2.906 -5.298 -26.429 1.00 25.32 H new ATOM 154 N LEU A 7 1.535 -9.051 -26.094 1.00 1.15 N ATOM 155 CA LEU A 7 1.352 -10.092 -27.099 1.00 35.02 C ATOM 156 C LEU A 7 0.484 -9.591 -28.249 1.00 64.24 C ATOM 157 O LEU A 7 0.745 -9.894 -29.414 1.00 30.10 O ATOM 158 CB LEU A 7 0.715 -11.331 -26.467 1.00 60.55 C ATOM 159 CG LEU A 7 1.284 -11.763 -25.115 1.00 73.13 C ATOM 160 CD1 LEU A 7 0.448 -12.885 -24.518 1.00 42.14 C ATOM 161 CD2 LEU A 7 2.735 -12.196 -25.261 1.00 23.11 C ATOM 0 H LEU A 7 1.034 -9.215 -25.221 1.00 1.15 H new ATOM 0 HA LEU A 7 2.332 -10.357 -27.496 1.00 35.02 H new ATOM 0 HB2 LEU A 7 -0.352 -11.145 -26.347 1.00 60.55 H new ATOM 0 HB3 LEU A 7 0.817 -12.163 -27.164 1.00 60.55 H new ATOM 0 HG LEU A 7 1.247 -10.910 -24.437 1.00 73.13 H new ATOM 0 HD11 LEU A 7 0.868 -13.179 -23.556 1.00 42.14 H new ATOM 0 HD12 LEU A 7 -0.576 -12.540 -24.376 1.00 42.14 H new ATOM 0 HD13 LEU A 7 0.452 -13.741 -25.193 1.00 42.14 H new ATOM 0 HD21 LEU A 7 3.124 -12.500 -24.289 1.00 23.11 H new ATOM 0 HD22 LEU A 7 2.796 -13.034 -25.955 1.00 23.11 H new ATOM 0 HD23 LEU A 7 3.326 -11.364 -25.644 1.00 23.11 H new ATOM 173 N TYR A 8 -0.546 -8.822 -27.915 1.00 43.04 N ATOM 174 CA TYR A 8 -1.452 -8.279 -28.921 1.00 4.14 C ATOM 175 C TYR A 8 -1.814 -6.831 -28.602 1.00 63.44 C ATOM 176 O TYR A 8 -1.853 -6.431 -27.439 1.00 11.12 O ATOM 177 CB TYR A 8 -2.722 -9.127 -29.005 1.00 25.34 C ATOM 178 CG TYR A 8 -2.470 -10.610 -28.853 1.00 30.53 C ATOM 179 CD1 TYR A 8 -1.937 -11.355 -29.898 1.00 32.21 C ATOM 180 CD2 TYR A 8 -2.766 -11.267 -27.665 1.00 21.43 C ATOM 181 CE1 TYR A 8 -1.706 -12.711 -29.764 1.00 13.30 C ATOM 182 CE2 TYR A 8 -2.537 -12.622 -27.521 1.00 61.14 C ATOM 183 CZ TYR A 8 -2.007 -13.339 -28.574 1.00 33.42 C ATOM 184 OH TYR A 8 -1.779 -14.689 -28.435 1.00 70.34 O ATOM 0 H TYR A 8 -0.775 -8.560 -26.956 1.00 43.04 H new ATOM 0 HA TYR A 8 -0.942 -8.304 -29.884 1.00 4.14 H new ATOM 0 HB2 TYR A 8 -3.417 -8.804 -28.230 1.00 25.34 H new ATOM 0 HB3 TYR A 8 -3.207 -8.946 -29.964 1.00 25.34 H new ATOM 0 HD1 TYR A 8 -1.699 -10.866 -30.831 1.00 32.21 H new ATOM 0 HD2 TYR A 8 -3.182 -10.709 -26.840 1.00 21.43 H new ATOM 0 HE1 TYR A 8 -1.292 -13.275 -30.587 1.00 13.30 H new ATOM 0 HE2 TYR A 8 -2.771 -13.117 -26.590 1.00 61.14 H new ATOM 0 HH TYR A 8 -2.044 -14.975 -27.536 1.00 70.34 H new ATOM 194 N ASP A 9 -2.078 -6.052 -29.645 1.00 51.10 N ATOM 195 CA ASP A 9 -2.439 -4.649 -29.479 1.00 10.24 C ATOM 196 C ASP A 9 -3.863 -4.513 -28.947 1.00 64.24 C ATOM 197 O ASP A 9 -4.776 -5.200 -29.406 1.00 43.13 O ATOM 198 CB ASP A 9 -2.305 -3.904 -30.808 1.00 25.40 C ATOM 199 CG ASP A 9 -3.442 -4.213 -31.762 1.00 65.10 C ATOM 200 OD1 ASP A 9 -4.522 -3.603 -31.616 1.00 4.13 O ATOM 201 OD2 ASP A 9 -3.251 -5.064 -32.656 1.00 31.14 O ATOM 0 H ASP A 9 -2.049 -6.368 -30.614 1.00 51.10 H new ATOM 0 HA ASP A 9 -1.755 -4.208 -28.754 1.00 10.24 H new ATOM 0 HB2 ASP A 9 -2.275 -2.831 -30.618 1.00 25.40 H new ATOM 0 HB3 ASP A 9 -1.358 -4.171 -31.277 1.00 25.40 H new ATOM 206 N PHE A 10 -4.044 -3.624 -27.977 1.00 13.03 N ATOM 207 CA PHE A 10 -5.356 -3.400 -27.381 1.00 53.20 C ATOM 208 C PHE A 10 -5.591 -1.914 -27.126 1.00 0.22 C ATOM 209 O PHE A 10 -4.665 -1.179 -26.785 1.00 0.22 O ATOM 210 CB PHE A 10 -5.485 -4.180 -26.071 1.00 75.34 C ATOM 211 CG PHE A 10 -6.547 -3.642 -25.155 1.00 72.52 C ATOM 212 CD1 PHE A 10 -7.857 -4.084 -25.256 1.00 24.11 C ATOM 213 CD2 PHE A 10 -6.236 -2.695 -24.193 1.00 41.25 C ATOM 214 CE1 PHE A 10 -8.836 -3.591 -24.414 1.00 71.51 C ATOM 215 CE2 PHE A 10 -7.211 -2.199 -23.349 1.00 1.13 C ATOM 216 CZ PHE A 10 -8.513 -2.647 -23.460 1.00 3.10 C ATOM 0 H PHE A 10 -3.299 -3.047 -27.587 1.00 13.03 H new ATOM 0 HA PHE A 10 -6.111 -3.754 -28.083 1.00 53.20 H new ATOM 0 HB2 PHE A 10 -5.707 -5.223 -26.299 1.00 75.34 H new ATOM 0 HB3 PHE A 10 -4.527 -4.164 -25.552 1.00 75.34 H new ATOM 0 HD1 PHE A 10 -8.116 -4.822 -26.001 1.00 24.11 H new ATOM 0 HD2 PHE A 10 -5.220 -2.340 -24.102 1.00 41.25 H new ATOM 0 HE1 PHE A 10 -9.853 -3.944 -24.502 1.00 71.51 H new ATOM 0 HE2 PHE A 10 -6.955 -1.461 -22.603 1.00 1.13 H new ATOM 0 HZ PHE A 10 -9.277 -2.260 -22.802 1.00 3.10 H new ATOM 226 N GLU A 11 -6.836 -1.480 -27.294 1.00 52.24 N ATOM 227 CA GLU A 11 -7.192 -0.082 -27.084 1.00 12.43 C ATOM 228 C GLU A 11 -8.116 0.069 -25.879 1.00 33.03 C ATOM 229 O GLU A 11 -8.962 -0.782 -25.603 1.00 71.20 O ATOM 230 CB GLU A 11 -7.867 0.490 -28.332 1.00 73.45 C ATOM 231 CG GLU A 11 -7.137 1.682 -28.928 1.00 30.32 C ATOM 232 CD GLU A 11 -7.324 1.791 -30.429 1.00 34.44 C ATOM 233 OE1 GLU A 11 -8.074 0.967 -30.994 1.00 20.35 O ATOM 234 OE2 GLU A 11 -6.722 2.699 -31.038 1.00 21.21 O ATOM 0 H GLU A 11 -7.615 -2.076 -27.575 1.00 52.24 H new ATOM 0 HA GLU A 11 -6.275 0.474 -26.889 1.00 12.43 H new ATOM 0 HB2 GLU A 11 -7.941 -0.294 -29.086 1.00 73.45 H new ATOM 0 HB3 GLU A 11 -8.885 0.787 -28.080 1.00 73.45 H new ATOM 0 HG2 GLU A 11 -7.494 2.596 -28.454 1.00 30.32 H new ATOM 0 HG3 GLU A 11 -6.073 1.601 -28.703 1.00 30.32 H new ATOM 241 N PRO A 12 -7.952 1.178 -25.142 1.00 63.13 N ATOM 242 CA PRO A 12 -8.761 1.467 -23.955 1.00 13.01 C ATOM 243 C PRO A 12 -10.208 1.797 -24.306 1.00 31.21 C ATOM 244 O PRO A 12 -10.477 2.466 -25.303 1.00 3.12 O ATOM 245 CB PRO A 12 -8.069 2.686 -23.342 1.00 5.54 C ATOM 246 CG PRO A 12 -7.377 3.344 -24.485 1.00 50.45 C ATOM 247 CD PRO A 12 -6.963 2.235 -25.413 1.00 10.25 C ATOM 0 HA PRO A 12 -8.819 0.610 -23.284 1.00 13.01 H new ATOM 0 HB2 PRO A 12 -8.790 3.358 -22.876 1.00 5.54 H new ATOM 0 HB3 PRO A 12 -7.361 2.391 -22.567 1.00 5.54 H new ATOM 0 HG2 PRO A 12 -8.039 4.048 -24.989 1.00 50.45 H new ATOM 0 HG3 PRO A 12 -6.511 3.910 -24.143 1.00 50.45 H new ATOM 0 HD2 PRO A 12 -6.989 2.552 -26.455 1.00 10.25 H new ATOM 0 HD3 PRO A 12 -5.947 1.897 -25.208 1.00 10.25 H new ATOM 255 N GLU A 13 -11.136 1.323 -23.480 1.00 25.31 N ATOM 256 CA GLU A 13 -12.555 1.568 -23.705 1.00 32.01 C ATOM 257 C GLU A 13 -13.069 2.671 -22.784 1.00 35.20 C ATOM 258 O GLU A 13 -14.066 3.328 -23.082 1.00 3.22 O ATOM 259 CB GLU A 13 -13.359 0.285 -23.481 1.00 1.31 C ATOM 260 CG GLU A 13 -13.566 -0.532 -24.745 1.00 53.41 C ATOM 261 CD GLU A 13 -14.546 0.116 -25.704 1.00 42.33 C ATOM 262 OE1 GLU A 13 -15.761 -0.144 -25.577 1.00 25.51 O ATOM 263 OE2 GLU A 13 -14.098 0.883 -26.582 1.00 12.40 O ATOM 0 H GLU A 13 -10.930 0.768 -22.650 1.00 25.31 H new ATOM 0 HA GLU A 13 -12.682 1.892 -24.738 1.00 32.01 H new ATOM 0 HB2 GLU A 13 -12.847 -0.330 -22.741 1.00 1.31 H new ATOM 0 HB3 GLU A 13 -14.332 0.544 -23.063 1.00 1.31 H new ATOM 0 HG2 GLU A 13 -12.608 -0.667 -25.247 1.00 53.41 H new ATOM 0 HG3 GLU A 13 -13.928 -1.524 -24.477 1.00 53.41 H new ATOM 270 N ASN A 14 -12.382 2.866 -21.663 1.00 50.34 N ATOM 271 CA ASN A 14 -12.769 3.888 -20.698 1.00 12.23 C ATOM 272 C ASN A 14 -11.732 5.006 -20.643 1.00 22.55 C ATOM 273 O ASN A 14 -10.689 4.931 -21.293 1.00 30.02 O ATOM 274 CB ASN A 14 -12.942 3.268 -19.310 1.00 2.45 C ATOM 275 CG ASN A 14 -14.290 2.595 -19.141 1.00 21.33 C ATOM 276 OD1 ASN A 14 -15.334 3.241 -19.226 1.00 73.04 O ATOM 277 ND2 ASN A 14 -14.273 1.289 -18.899 1.00 4.11 N ATOM 0 H ASN A 14 -11.555 2.330 -21.401 1.00 50.34 H new ATOM 0 HA ASN A 14 -13.719 4.315 -21.019 1.00 12.23 H new ATOM 0 HB2 ASN A 14 -12.151 2.538 -19.140 1.00 2.45 H new ATOM 0 HB3 ASN A 14 -12.829 4.043 -18.552 1.00 2.45 H new ATOM 0 HD21 ASN A 14 -15.149 0.782 -18.775 1.00 4.11 H new ATOM 0 HD22 ASN A 14 -13.384 0.793 -18.837 1.00 4.11 H new ATOM 284 N ASP A 15 -12.025 6.040 -19.862 1.00 31.51 N ATOM 285 CA ASP A 15 -11.117 7.172 -19.720 1.00 14.11 C ATOM 286 C ASP A 15 -10.036 6.875 -18.686 1.00 2.32 C ATOM 287 O ASP A 15 -9.193 7.723 -18.394 1.00 34.10 O ATOM 288 CB ASP A 15 -11.893 8.428 -19.319 1.00 33.43 C ATOM 289 CG ASP A 15 -12.465 8.332 -17.918 1.00 4.13 C ATOM 290 OD1 ASP A 15 -11.687 8.465 -16.950 1.00 0.20 O ATOM 291 OD2 ASP A 15 -13.689 8.124 -17.789 1.00 34.50 O ATOM 0 H ASP A 15 -12.884 6.118 -19.318 1.00 31.51 H new ATOM 0 HA ASP A 15 -10.636 7.344 -20.683 1.00 14.11 H new ATOM 0 HB2 ASP A 15 -11.234 9.294 -19.381 1.00 33.43 H new ATOM 0 HB3 ASP A 15 -12.704 8.593 -20.029 1.00 33.43 H new ATOM 296 N ASN A 16 -10.067 5.666 -18.135 1.00 11.44 N ATOM 297 CA ASN A 16 -9.090 5.258 -17.131 1.00 52.35 C ATOM 298 C ASN A 16 -8.369 3.984 -17.561 1.00 13.20 C ATOM 299 O ASN A 16 -7.839 3.249 -16.729 1.00 11.24 O ATOM 300 CB ASN A 16 -9.776 5.039 -15.781 1.00 42.23 C ATOM 301 CG ASN A 16 -11.172 4.466 -15.928 1.00 52.32 C ATOM 302 OD1 ASN A 16 -12.099 5.160 -16.349 1.00 24.45 O ATOM 303 ND2 ASN A 16 -11.329 3.194 -15.581 1.00 11.10 N ATOM 0 H ASN A 16 -10.757 4.952 -18.366 1.00 11.44 H new ATOM 0 HA ASN A 16 -8.353 6.055 -17.031 1.00 52.35 H new ATOM 0 HB2 ASN A 16 -9.171 4.365 -15.175 1.00 42.23 H new ATOM 0 HB3 ASN A 16 -9.830 5.987 -15.246 1.00 42.23 H new ATOM 0 HD21 ASN A 16 -12.246 2.754 -15.658 1.00 11.10 H new ATOM 0 HD22 ASN A 16 -10.533 2.657 -15.237 1.00 11.10 H new ATOM 310 N GLU A 17 -8.354 3.730 -18.866 1.00 0.51 N ATOM 311 CA GLU A 17 -7.698 2.545 -19.405 1.00 52.13 C ATOM 312 C GLU A 17 -6.423 2.922 -20.154 1.00 52.03 C ATOM 313 O GLU A 17 -6.272 4.054 -20.616 1.00 54.00 O ATOM 314 CB GLU A 17 -8.647 1.790 -20.339 1.00 0.42 C ATOM 315 CG GLU A 17 -9.623 0.882 -19.610 1.00 51.11 C ATOM 316 CD GLU A 17 -9.851 -0.430 -20.335 1.00 31.23 C ATOM 317 OE1 GLU A 17 -9.917 -0.416 -21.582 1.00 33.55 O ATOM 318 OE2 GLU A 17 -9.963 -1.471 -19.654 1.00 70.40 O ATOM 0 H GLU A 17 -8.788 4.329 -19.569 1.00 0.51 H new ATOM 0 HA GLU A 17 -7.430 1.898 -18.570 1.00 52.13 H new ATOM 0 HB2 GLU A 17 -9.209 2.511 -20.933 1.00 0.42 H new ATOM 0 HB3 GLU A 17 -8.059 1.193 -21.036 1.00 0.42 H new ATOM 0 HG2 GLU A 17 -9.245 0.678 -18.608 1.00 51.11 H new ATOM 0 HG3 GLU A 17 -10.576 1.398 -19.493 1.00 51.11 H new ATOM 325 N LEU A 18 -5.508 1.966 -20.271 1.00 11.25 N ATOM 326 CA LEU A 18 -4.245 2.197 -20.963 1.00 22.51 C ATOM 327 C LEU A 18 -4.218 1.468 -22.303 1.00 4.22 C ATOM 328 O LEU A 18 -4.864 0.434 -22.472 1.00 25.25 O ATOM 329 CB LEU A 18 -3.073 1.735 -20.095 1.00 31.13 C ATOM 330 CG LEU A 18 -1.683 1.871 -20.716 1.00 3.40 C ATOM 331 CD1 LEU A 18 -1.416 3.314 -21.116 1.00 10.32 C ATOM 332 CD2 LEU A 18 -0.616 1.378 -19.749 1.00 42.05 C ATOM 0 H LEU A 18 -5.617 1.024 -19.896 1.00 11.25 H new ATOM 0 HA LEU A 18 -4.151 3.267 -21.149 1.00 22.51 H new ATOM 0 HB2 LEU A 18 -3.090 2.303 -19.165 1.00 31.13 H new ATOM 0 HB3 LEU A 18 -3.231 0.689 -19.833 1.00 31.13 H new ATOM 0 HG LEU A 18 -1.645 1.253 -21.613 1.00 3.40 H new ATOM 0 HD11 LEU A 18 -0.422 3.392 -21.556 1.00 10.32 H new ATOM 0 HD12 LEU A 18 -2.161 3.634 -21.844 1.00 10.32 H new ATOM 0 HD13 LEU A 18 -1.473 3.952 -20.234 1.00 10.32 H new ATOM 0 HD21 LEU A 18 0.367 1.482 -20.208 1.00 42.05 H new ATOM 0 HD22 LEU A 18 -0.654 1.969 -18.834 1.00 42.05 H new ATOM 0 HD23 LEU A 18 -0.796 0.329 -19.512 1.00 42.05 H new ATOM 344 N ARG A 19 -3.464 2.014 -23.252 1.00 13.00 N ATOM 345 CA ARG A 19 -3.352 1.416 -24.577 1.00 21.33 C ATOM 346 C ARG A 19 -2.214 0.400 -24.620 1.00 32.34 C ATOM 347 O ARG A 19 -1.258 0.489 -23.848 1.00 34.13 O ATOM 348 CB ARG A 19 -3.122 2.500 -25.631 1.00 71.44 C ATOM 349 CG ARG A 19 -3.798 3.821 -25.304 1.00 75.13 C ATOM 350 CD ARG A 19 -3.614 4.833 -26.424 1.00 54.11 C ATOM 351 NE ARG A 19 -4.640 5.873 -26.396 1.00 61.42 N ATOM 352 CZ ARG A 19 -5.841 5.735 -26.947 1.00 43.34 C ATOM 353 NH1 ARG A 19 -6.165 4.608 -27.566 1.00 11.24 N ATOM 354 NH2 ARG A 19 -6.720 6.727 -26.880 1.00 71.34 N ATOM 0 H ARG A 19 -2.922 2.869 -23.128 1.00 13.00 H new ATOM 0 HA ARG A 19 -4.286 0.899 -24.795 1.00 21.33 H new ATOM 0 HB2 ARG A 19 -2.050 2.667 -25.740 1.00 71.44 H new ATOM 0 HB3 ARG A 19 -3.488 2.143 -26.593 1.00 71.44 H new ATOM 0 HG2 ARG A 19 -4.862 3.654 -25.134 1.00 75.13 H new ATOM 0 HG3 ARG A 19 -3.386 4.222 -24.378 1.00 75.13 H new ATOM 0 HD2 ARG A 19 -2.629 5.293 -26.339 1.00 54.11 H new ATOM 0 HD3 ARG A 19 -3.644 4.320 -27.385 1.00 54.11 H new ATOM 0 HE ARG A 19 -4.422 6.753 -25.928 1.00 61.42 H new ATOM 0 HH11 ARG A 19 -5.491 3.844 -27.620 1.00 11.24 H new ATOM 0 HH12 ARG A 19 -7.088 4.505 -27.988 1.00 11.24 H new ATOM 0 HH21 ARG A 19 -6.474 7.596 -26.405 1.00 71.34 H new ATOM 0 HH22 ARG A 19 -7.642 6.621 -27.303 1.00 71.34 H new ATOM 368 N LEU A 20 -2.324 -0.565 -25.526 1.00 22.42 N ATOM 369 CA LEU A 20 -1.305 -1.599 -25.670 1.00 23.24 C ATOM 370 C LEU A 20 -1.066 -1.928 -27.140 1.00 10.21 C ATOM 371 O LEU A 20 -1.977 -1.835 -27.962 1.00 65.25 O ATOM 372 CB LEU A 20 -1.721 -2.862 -24.914 1.00 73.41 C ATOM 373 CG LEU A 20 -0.671 -3.463 -23.979 1.00 44.34 C ATOM 374 CD1 LEU A 20 -0.090 -2.391 -23.071 1.00 3.35 C ATOM 375 CD2 LEU A 20 -1.272 -4.593 -23.157 1.00 62.21 C ATOM 0 H LEU A 20 -3.108 -0.653 -26.172 1.00 22.42 H new ATOM 0 HA LEU A 20 -0.375 -1.219 -25.246 1.00 23.24 H new ATOM 0 HB2 LEU A 20 -2.611 -2.634 -24.328 1.00 73.41 H new ATOM 0 HB3 LEU A 20 -2.005 -3.620 -25.643 1.00 73.41 H new ATOM 0 HG LEU A 20 0.136 -3.873 -24.586 1.00 44.34 H new ATOM 0 HD11 LEU A 20 0.655 -2.837 -22.412 1.00 3.35 H new ATOM 0 HD12 LEU A 20 0.379 -1.616 -23.677 1.00 3.35 H new ATOM 0 HD13 LEU A 20 -0.887 -1.951 -22.471 1.00 3.35 H new ATOM 0 HD21 LEU A 20 -0.510 -5.008 -22.498 1.00 62.21 H new ATOM 0 HD22 LEU A 20 -2.099 -4.208 -22.559 1.00 62.21 H new ATOM 0 HD23 LEU A 20 -1.639 -5.373 -23.824 1.00 62.21 H new ATOM 387 N ALA A 21 0.164 -2.314 -27.462 1.00 41.24 N ATOM 388 CA ALA A 21 0.521 -2.661 -28.832 1.00 44.54 C ATOM 389 C ALA A 21 1.468 -3.855 -28.867 1.00 63.32 C ATOM 390 O ALA A 21 2.400 -3.943 -28.069 1.00 5.22 O ATOM 391 CB ALA A 21 1.151 -1.465 -29.532 1.00 72.13 C ATOM 0 H ALA A 21 0.930 -2.394 -26.793 1.00 41.24 H new ATOM 0 HA ALA A 21 -0.391 -2.939 -29.360 1.00 44.54 H new ATOM 0 HB1 ALA A 21 1.413 -1.738 -30.554 1.00 72.13 H new ATOM 0 HB2 ALA A 21 0.442 -0.638 -29.548 1.00 72.13 H new ATOM 0 HB3 ALA A 21 2.050 -1.162 -28.996 1.00 72.13 H new ATOM 397 N GLU A 22 1.222 -4.773 -29.797 1.00 31.01 N ATOM 398 CA GLU A 22 2.053 -5.963 -29.933 1.00 71.43 C ATOM 399 C GLU A 22 3.531 -5.590 -30.001 1.00 60.25 C ATOM 400 O GLU A 22 3.955 -4.846 -30.885 1.00 75.31 O ATOM 401 CB GLU A 22 1.656 -6.749 -31.185 1.00 32.12 C ATOM 402 CG GLU A 22 2.454 -8.027 -31.380 1.00 34.54 C ATOM 403 CD GLU A 22 3.107 -8.105 -32.746 1.00 2.23 C ATOM 404 OE1 GLU A 22 2.371 -8.155 -33.753 1.00 54.01 O ATOM 405 OE2 GLU A 22 4.354 -8.115 -32.808 1.00 22.53 O ATOM 0 H GLU A 22 0.455 -4.715 -30.467 1.00 31.01 H new ATOM 0 HA GLU A 22 1.894 -6.588 -29.054 1.00 71.43 H new ATOM 0 HB2 GLU A 22 0.596 -6.998 -31.127 1.00 32.12 H new ATOM 0 HB3 GLU A 22 1.786 -6.112 -32.060 1.00 32.12 H new ATOM 0 HG2 GLU A 22 3.223 -8.092 -30.610 1.00 34.54 H new ATOM 0 HG3 GLU A 22 1.796 -8.886 -31.247 1.00 34.54 H new ATOM 412 N GLY A 23 4.311 -6.113 -29.060 1.00 45.22 N ATOM 413 CA GLY A 23 5.733 -5.823 -29.030 1.00 62.13 C ATOM 414 C GLY A 23 6.076 -4.698 -28.073 1.00 73.55 C ATOM 415 O GLY A 23 7.249 -4.388 -27.865 1.00 15.44 O ATOM 0 H GLY A 23 3.984 -6.732 -28.318 1.00 45.22 H new ATOM 0 HA2 GLY A 23 6.278 -6.721 -28.740 1.00 62.13 H new ATOM 0 HA3 GLY A 23 6.068 -5.557 -30.033 1.00 62.13 H new ATOM 419 N ASP A 24 5.050 -4.086 -27.492 1.00 5.11 N ATOM 420 CA ASP A 24 5.249 -2.988 -26.552 1.00 75.52 C ATOM 421 C ASP A 24 5.554 -3.518 -25.155 1.00 24.23 C ATOM 422 O ASP A 24 5.053 -4.570 -24.756 1.00 3.24 O ATOM 423 CB ASP A 24 4.009 -2.093 -26.512 1.00 30.42 C ATOM 424 CG ASP A 24 3.777 -1.366 -27.822 1.00 32.42 C ATOM 425 OD1 ASP A 24 3.925 -2.001 -28.887 1.00 30.55 O ATOM 426 OD2 ASP A 24 3.448 -0.162 -27.782 1.00 71.12 O ATOM 0 H ASP A 24 4.073 -4.331 -27.655 1.00 5.11 H new ATOM 0 HA ASP A 24 6.102 -2.400 -26.892 1.00 75.52 H new ATOM 0 HB2 ASP A 24 3.134 -2.699 -26.277 1.00 30.42 H new ATOM 0 HB3 ASP A 24 4.117 -1.364 -25.709 1.00 30.42 H new ATOM 431 N ILE A 25 6.380 -2.784 -24.417 1.00 2.11 N ATOM 432 CA ILE A 25 6.752 -3.180 -23.064 1.00 65.15 C ATOM 433 C ILE A 25 5.973 -2.384 -22.024 1.00 14.41 C ATOM 434 O ILE A 25 5.740 -1.186 -22.189 1.00 61.02 O ATOM 435 CB ILE A 25 8.260 -2.989 -22.817 1.00 4.33 C ATOM 436 CG1 ILE A 25 9.073 -3.800 -23.828 1.00 53.24 C ATOM 437 CG2 ILE A 25 8.619 -3.394 -21.395 1.00 2.42 C ATOM 438 CD1 ILE A 25 9.383 -5.206 -23.366 1.00 2.05 C ATOM 0 H ILE A 25 6.804 -1.912 -24.733 1.00 2.11 H new ATOM 0 HA ILE A 25 6.507 -4.238 -22.966 1.00 65.15 H new ATOM 0 HB ILE A 25 8.503 -1.934 -22.947 1.00 4.33 H new ATOM 0 HG12 ILE A 25 8.524 -3.848 -24.768 1.00 53.24 H new ATOM 0 HG13 ILE A 25 10.008 -3.279 -24.031 1.00 53.24 H new ATOM 0 HG21 ILE A 25 9.688 -3.253 -21.236 1.00 2.42 H new ATOM 0 HG22 ILE A 25 8.063 -2.777 -20.689 1.00 2.42 H new ATOM 0 HG23 ILE A 25 8.364 -4.442 -21.240 1.00 2.42 H new ATOM 0 HD11 ILE A 25 9.961 -5.722 -24.133 1.00 2.05 H new ATOM 0 HD12 ILE A 25 9.959 -5.166 -22.442 1.00 2.05 H new ATOM 0 HD13 ILE A 25 8.452 -5.745 -23.190 1.00 2.05 H new ATOM 450 N VAL A 26 5.572 -3.057 -20.950 1.00 0.52 N ATOM 451 CA VAL A 26 4.821 -2.411 -19.880 1.00 33.33 C ATOM 452 C VAL A 26 5.225 -2.961 -18.516 1.00 55.41 C ATOM 453 O VAL A 26 5.763 -4.063 -18.414 1.00 20.14 O ATOM 454 CB VAL A 26 3.303 -2.599 -20.068 1.00 4.55 C ATOM 455 CG1 VAL A 26 2.754 -1.567 -21.041 1.00 65.15 C ATOM 456 CG2 VAL A 26 2.996 -4.010 -20.544 1.00 21.22 C ATOM 0 H VAL A 26 5.755 -4.049 -20.798 1.00 0.52 H new ATOM 0 HA VAL A 26 5.057 -1.348 -19.924 1.00 33.33 H new ATOM 0 HB VAL A 26 2.814 -2.451 -19.105 1.00 4.55 H new ATOM 0 HG11 VAL A 26 1.681 -1.715 -21.161 1.00 65.15 H new ATOM 0 HG12 VAL A 26 2.941 -0.566 -20.653 1.00 65.15 H new ATOM 0 HG13 VAL A 26 3.246 -1.680 -22.007 1.00 65.15 H new ATOM 0 HG21 VAL A 26 1.920 -4.125 -20.671 1.00 21.22 H new ATOM 0 HG22 VAL A 26 3.495 -4.190 -21.496 1.00 21.22 H new ATOM 0 HG23 VAL A 26 3.353 -4.729 -19.806 1.00 21.22 H new ATOM 466 N PHE A 27 4.960 -2.185 -17.470 1.00 44.20 N ATOM 467 CA PHE A 27 5.297 -2.593 -16.111 1.00 73.21 C ATOM 468 C PHE A 27 4.037 -2.766 -15.268 1.00 31.33 C ATOM 469 O PHE A 27 3.398 -1.788 -14.879 1.00 41.24 O ATOM 470 CB PHE A 27 6.222 -1.563 -15.461 1.00 1.25 C ATOM 471 CG PHE A 27 7.573 -1.474 -16.112 1.00 35.11 C ATOM 472 CD1 PHE A 27 8.363 -2.603 -16.255 1.00 73.31 C ATOM 473 CD2 PHE A 27 8.052 -0.262 -16.582 1.00 14.14 C ATOM 474 CE1 PHE A 27 9.606 -2.524 -16.853 1.00 61.24 C ATOM 475 CE2 PHE A 27 9.294 -0.177 -17.181 1.00 41.32 C ATOM 476 CZ PHE A 27 10.072 -1.310 -17.318 1.00 52.31 C ATOM 0 H PHE A 27 4.513 -1.271 -17.537 1.00 44.20 H new ATOM 0 HA PHE A 27 5.813 -3.552 -16.163 1.00 73.21 H new ATOM 0 HB2 PHE A 27 5.745 -0.584 -15.498 1.00 1.25 H new ATOM 0 HB3 PHE A 27 6.351 -1.815 -14.408 1.00 1.25 H new ATOM 0 HD1 PHE A 27 8.003 -3.556 -15.895 1.00 73.31 H new ATOM 0 HD2 PHE A 27 7.447 0.627 -16.479 1.00 14.14 H new ATOM 0 HE1 PHE A 27 10.213 -3.411 -16.957 1.00 61.24 H new ATOM 0 HE2 PHE A 27 9.656 0.774 -17.542 1.00 41.32 H new ATOM 0 HZ PHE A 27 11.042 -1.247 -17.788 1.00 52.31 H new ATOM 486 N ILE A 28 3.686 -4.017 -14.989 1.00 61.11 N ATOM 487 CA ILE A 28 2.504 -4.319 -14.192 1.00 13.21 C ATOM 488 C ILE A 28 2.725 -3.965 -12.725 1.00 72.11 C ATOM 489 O ILE A 28 3.399 -4.692 -11.996 1.00 4.44 O ATOM 490 CB ILE A 28 2.118 -5.806 -14.297 1.00 61.11 C ATOM 491 CG1 ILE A 28 2.229 -6.283 -15.747 1.00 2.12 C ATOM 492 CG2 ILE A 28 0.709 -6.027 -13.768 1.00 10.32 C ATOM 493 CD1 ILE A 28 1.399 -5.470 -16.715 1.00 71.35 C ATOM 0 H ILE A 28 4.204 -4.838 -15.303 1.00 61.11 H new ATOM 0 HA ILE A 28 1.691 -3.713 -14.592 1.00 13.21 H new ATOM 0 HB ILE A 28 2.809 -6.389 -13.688 1.00 61.11 H new ATOM 0 HG12 ILE A 28 3.274 -6.244 -16.055 1.00 2.12 H new ATOM 0 HG13 ILE A 28 1.919 -7.327 -15.803 1.00 2.12 H new ATOM 0 HG21 ILE A 28 0.451 -7.083 -13.849 1.00 10.32 H new ATOM 0 HG22 ILE A 28 0.661 -5.721 -12.723 1.00 10.32 H new ATOM 0 HG23 ILE A 28 0.004 -5.436 -14.352 1.00 10.32 H new ATOM 0 HD11 ILE A 28 1.526 -5.864 -17.723 1.00 71.35 H new ATOM 0 HD12 ILE A 28 0.348 -5.529 -16.432 1.00 71.35 H new ATOM 0 HD13 ILE A 28 1.724 -4.430 -16.688 1.00 71.35 H new ATOM 505 N SER A 29 2.150 -2.845 -12.299 1.00 41.21 N ATOM 506 CA SER A 29 2.286 -2.393 -10.919 1.00 73.02 C ATOM 507 C SER A 29 1.628 -3.378 -9.958 1.00 33.21 C ATOM 508 O SER A 29 2.151 -3.652 -8.878 1.00 21.43 O ATOM 509 CB SER A 29 1.663 -1.006 -10.751 1.00 40.30 C ATOM 510 OG SER A 29 2.584 0.013 -11.101 1.00 23.40 O ATOM 0 H SER A 29 1.586 -2.234 -12.889 1.00 41.21 H new ATOM 0 HA SER A 29 3.349 -2.337 -10.684 1.00 73.02 H new ATOM 0 HB2 SER A 29 0.773 -0.926 -11.375 1.00 40.30 H new ATOM 0 HB3 SER A 29 1.342 -0.871 -9.718 1.00 40.30 H new ATOM 0 HG SER A 29 2.832 -0.080 -12.045 1.00 23.40 H new ATOM 516 N TYR A 30 0.477 -3.907 -10.359 1.00 21.11 N ATOM 517 CA TYR A 30 -0.255 -4.860 -9.533 1.00 70.01 C ATOM 518 C TYR A 30 -1.461 -5.418 -10.284 1.00 4.34 C ATOM 519 O TYR A 30 -2.067 -4.732 -11.107 1.00 44.20 O ATOM 520 CB TYR A 30 -0.712 -4.195 -8.234 1.00 31.14 C ATOM 521 CG TYR A 30 -1.842 -3.208 -8.423 1.00 61.31 C ATOM 522 CD1 TYR A 30 -3.166 -3.629 -8.420 1.00 10.12 C ATOM 523 CD2 TYR A 30 -1.585 -1.855 -8.605 1.00 0.24 C ATOM 524 CE1 TYR A 30 -4.201 -2.731 -8.593 1.00 52.14 C ATOM 525 CE2 TYR A 30 -2.614 -0.949 -8.777 1.00 61.44 C ATOM 526 CZ TYR A 30 -3.920 -1.392 -8.772 1.00 32.34 C ATOM 527 OH TYR A 30 -4.949 -0.494 -8.943 1.00 64.34 O ATOM 0 H TYR A 30 0.031 -3.692 -11.251 1.00 21.11 H new ATOM 0 HA TYR A 30 0.415 -5.686 -9.294 1.00 70.01 H new ATOM 0 HB2 TYR A 30 -1.029 -4.967 -7.533 1.00 31.14 H new ATOM 0 HB3 TYR A 30 0.136 -3.681 -7.781 1.00 31.14 H new ATOM 0 HD1 TYR A 30 -3.390 -4.676 -8.280 1.00 10.12 H new ATOM 0 HD2 TYR A 30 -0.563 -1.505 -8.612 1.00 0.24 H new ATOM 0 HE1 TYR A 30 -5.225 -3.075 -8.588 1.00 52.14 H new ATOM 0 HE2 TYR A 30 -2.397 0.100 -8.915 1.00 61.44 H new ATOM 0 HH TYR A 30 -4.583 0.379 -9.197 1.00 64.34 H new ATOM 537 N LYS A 31 -1.804 -6.668 -9.992 1.00 41.24 N ATOM 538 CA LYS A 31 -2.938 -7.320 -10.636 1.00 62.23 C ATOM 539 C LYS A 31 -4.246 -6.938 -9.952 1.00 12.32 C ATOM 540 O LYS A 31 -4.288 -6.741 -8.737 1.00 13.51 O ATOM 541 CB LYS A 31 -2.761 -8.840 -10.609 1.00 60.11 C ATOM 542 CG LYS A 31 -4.031 -9.606 -10.937 1.00 62.13 C ATOM 543 CD LYS A 31 -3.744 -11.075 -11.202 1.00 4.43 C ATOM 544 CE LYS A 31 -5.021 -11.901 -11.204 1.00 42.43 C ATOM 545 NZ LYS A 31 -4.849 -13.190 -10.479 1.00 41.12 N ATOM 0 H LYS A 31 -1.313 -7.250 -9.313 1.00 41.24 H new ATOM 0 HA LYS A 31 -2.979 -6.983 -11.672 1.00 62.23 H new ATOM 0 HB2 LYS A 31 -1.984 -9.120 -11.320 1.00 60.11 H new ATOM 0 HB3 LYS A 31 -2.411 -9.139 -9.621 1.00 60.11 H new ATOM 0 HG2 LYS A 31 -4.735 -9.515 -10.110 1.00 62.13 H new ATOM 0 HG3 LYS A 31 -4.508 -9.164 -11.812 1.00 62.13 H new ATOM 0 HD2 LYS A 31 -3.240 -11.181 -12.162 1.00 4.43 H new ATOM 0 HD3 LYS A 31 -3.064 -11.457 -10.441 1.00 4.43 H new ATOM 0 HE2 LYS A 31 -5.825 -11.328 -10.741 1.00 42.43 H new ATOM 0 HE3 LYS A 31 -5.323 -12.100 -12.232 1.00 42.43 H new ATOM 0 HZ1 LYS A 31 -5.741 -13.724 -10.503 1.00 41.12 H new ATOM 0 HZ2 LYS A 31 -4.100 -13.748 -10.936 1.00 41.12 H new ATOM 0 HZ3 LYS A 31 -4.586 -13.000 -9.491 1.00 41.12 H new ATOM 559 N HIS A 32 -5.313 -6.836 -10.739 1.00 3.24 N ATOM 560 CA HIS A 32 -6.623 -6.479 -10.207 1.00 54.13 C ATOM 561 C HIS A 32 -7.710 -7.375 -10.794 1.00 41.13 C ATOM 562 O HIS A 32 -7.566 -7.900 -11.898 1.00 14.04 O ATOM 563 CB HIS A 32 -6.937 -5.013 -10.508 1.00 72.11 C ATOM 564 CG HIS A 32 -8.000 -4.435 -9.625 1.00 42.41 C ATOM 565 ND1 HIS A 32 -7.912 -4.425 -8.249 1.00 70.31 N ATOM 566 CD2 HIS A 32 -9.178 -3.842 -9.930 1.00 1.24 C ATOM 567 CE1 HIS A 32 -8.991 -3.853 -7.745 1.00 60.42 C ATOM 568 NE2 HIS A 32 -9.775 -3.490 -8.744 1.00 40.21 N ATOM 0 H HIS A 32 -5.296 -6.995 -11.746 1.00 3.24 H new ATOM 0 HA HIS A 32 -6.601 -6.624 -9.127 1.00 54.13 H new ATOM 0 HB2 HIS A 32 -6.026 -4.425 -10.399 1.00 72.11 H new ATOM 0 HB3 HIS A 32 -7.251 -4.923 -11.548 1.00 72.11 H new ATOM 0 HD2 HIS A 32 -9.574 -3.677 -10.921 1.00 1.24 H new ATOM 0 HE1 HIS A 32 -9.197 -3.707 -6.695 1.00 60.42 H new ATOM 0 HE2 HIS A 32 -10.677 -3.024 -8.650 1.00 40.21 H new ATOM 576 N GLY A 33 -8.797 -7.546 -10.048 1.00 0.31 N ATOM 577 CA GLY A 33 -9.891 -8.379 -10.511 1.00 31.34 C ATOM 578 C GLY A 33 -10.467 -7.901 -11.829 1.00 22.22 C ATOM 579 O GLY A 33 -9.943 -6.971 -12.441 1.00 25.23 O ATOM 0 H GLY A 33 -8.939 -7.122 -9.131 1.00 0.31 H new ATOM 0 HA2 GLY A 33 -9.540 -9.405 -10.622 1.00 31.34 H new ATOM 0 HA3 GLY A 33 -10.678 -8.391 -9.757 1.00 31.34 H new ATOM 583 N GLN A 34 -11.547 -8.540 -12.267 1.00 41.23 N ATOM 584 CA GLN A 34 -12.192 -8.175 -13.523 1.00 71.10 C ATOM 585 C GLN A 34 -11.277 -8.464 -14.709 1.00 15.32 C ATOM 586 O GLN A 34 -11.539 -8.026 -15.828 1.00 40.23 O ATOM 587 CB GLN A 34 -12.579 -6.695 -13.511 1.00 35.42 C ATOM 588 CG GLN A 34 -13.334 -6.274 -12.260 1.00 62.20 C ATOM 589 CD GLN A 34 -14.599 -5.500 -12.574 1.00 60.42 C ATOM 590 OE1 GLN A 34 -14.762 -4.975 -13.676 1.00 4.01 O ATOM 591 NE2 GLN A 34 -15.504 -5.426 -11.605 1.00 61.43 N ATOM 0 H GLN A 34 -11.993 -9.312 -11.772 1.00 41.23 H new ATOM 0 HA GLN A 34 -13.094 -8.778 -13.628 1.00 71.10 H new ATOM 0 HB2 GLN A 34 -11.676 -6.091 -13.601 1.00 35.42 H new ATOM 0 HB3 GLN A 34 -13.194 -6.482 -14.385 1.00 35.42 H new ATOM 0 HG2 GLN A 34 -13.590 -7.160 -11.679 1.00 62.20 H new ATOM 0 HG3 GLN A 34 -12.683 -5.661 -11.636 1.00 62.20 H new ATOM 0 HE21 GLN A 34 -15.328 -5.876 -10.707 1.00 61.43 H new ATOM 0 HE22 GLN A 34 -16.376 -4.919 -11.759 1.00 61.43 H new ATOM 600 N GLY A 35 -10.203 -9.204 -14.455 1.00 24.03 N ATOM 601 CA GLY A 35 -9.265 -9.538 -15.511 1.00 11.10 C ATOM 602 C GLY A 35 -8.499 -8.329 -16.010 1.00 55.33 C ATOM 603 O GLY A 35 -8.093 -8.279 -17.171 1.00 61.31 O ATOM 0 H GLY A 35 -9.965 -9.579 -13.537 1.00 24.03 H new ATOM 0 HA2 GLY A 35 -8.561 -10.285 -15.144 1.00 11.10 H new ATOM 0 HA3 GLY A 35 -9.805 -9.991 -16.343 1.00 11.10 H new ATOM 607 N TRP A 36 -8.304 -7.351 -15.133 1.00 60.00 N ATOM 608 CA TRP A 36 -7.583 -6.135 -15.492 1.00 53.13 C ATOM 609 C TRP A 36 -6.398 -5.909 -14.560 1.00 15.33 C ATOM 610 O TRP A 36 -6.515 -6.062 -13.343 1.00 70.41 O ATOM 611 CB TRP A 36 -8.522 -4.928 -15.446 1.00 34.53 C ATOM 612 CG TRP A 36 -9.568 -4.948 -16.520 1.00 5.52 C ATOM 613 CD1 TRP A 36 -10.888 -5.263 -16.373 1.00 12.42 C ATOM 614 CD2 TRP A 36 -9.378 -4.640 -17.905 1.00 71.44 C ATOM 615 NE1 TRP A 36 -11.531 -5.170 -17.584 1.00 13.15 N ATOM 616 CE2 TRP A 36 -10.627 -4.789 -18.540 1.00 31.15 C ATOM 617 CE3 TRP A 36 -8.276 -4.252 -18.672 1.00 22.44 C ATOM 618 CZ2 TRP A 36 -10.801 -4.564 -19.902 1.00 70.35 C ATOM 619 CZ3 TRP A 36 -8.450 -4.030 -20.024 1.00 40.03 C ATOM 620 CH2 TRP A 36 -9.705 -4.185 -20.628 1.00 64.55 C ATOM 0 H TRP A 36 -8.635 -7.376 -14.168 1.00 60.00 H new ATOM 0 HA TRP A 36 -7.205 -6.253 -16.507 1.00 53.13 H new ATOM 0 HB2 TRP A 36 -9.011 -4.894 -14.473 1.00 34.53 H new ATOM 0 HB3 TRP A 36 -7.934 -4.015 -15.539 1.00 34.53 H new ATOM 0 HD1 TRP A 36 -11.358 -5.544 -15.442 1.00 12.42 H new ATOM 0 HE1 TRP A 36 -12.521 -5.355 -17.745 1.00 13.15 H new ATOM 0 HE3 TRP A 36 -7.305 -4.128 -18.215 1.00 22.44 H new ATOM 0 HZ2 TRP A 36 -11.767 -4.684 -20.370 1.00 70.35 H new ATOM 0 HZ3 TRP A 36 -7.604 -3.732 -20.626 1.00 40.03 H new ATOM 0 HH2 TRP A 36 -9.809 -4.002 -21.687 1.00 64.55 H new ATOM 631 N LEU A 37 -5.259 -5.543 -15.136 1.00 61.02 N ATOM 632 CA LEU A 37 -4.052 -5.295 -14.356 1.00 23.15 C ATOM 633 C LEU A 37 -3.510 -3.894 -14.621 1.00 65.42 C ATOM 634 O LEU A 37 -3.377 -3.476 -15.772 1.00 24.55 O ATOM 635 CB LEU A 37 -2.984 -6.339 -14.686 1.00 65.01 C ATOM 636 CG LEU A 37 -3.493 -7.663 -15.258 1.00 2.33 C ATOM 637 CD1 LEU A 37 -2.329 -8.586 -15.585 1.00 53.53 C ATOM 638 CD2 LEU A 37 -4.449 -8.333 -14.281 1.00 42.55 C ATOM 0 H LEU A 37 -5.146 -5.411 -16.141 1.00 61.02 H new ATOM 0 HA LEU A 37 -4.310 -5.370 -13.300 1.00 23.15 H new ATOM 0 HB2 LEU A 37 -2.286 -5.902 -15.400 1.00 65.01 H new ATOM 0 HB3 LEU A 37 -2.420 -6.552 -13.778 1.00 65.01 H new ATOM 0 HG LEU A 37 -4.035 -7.454 -16.181 1.00 2.33 H new ATOM 0 HD11 LEU A 37 -2.710 -9.523 -15.991 1.00 53.53 H new ATOM 0 HD12 LEU A 37 -1.682 -8.109 -16.321 1.00 53.53 H new ATOM 0 HD13 LEU A 37 -1.759 -8.789 -14.678 1.00 53.53 H new ATOM 0 HD21 LEU A 37 -4.801 -9.274 -14.704 1.00 42.55 H new ATOM 0 HD22 LEU A 37 -3.931 -8.529 -13.342 1.00 42.55 H new ATOM 0 HD23 LEU A 37 -5.300 -7.677 -14.096 1.00 42.55 H new ATOM 650 N VAL A 38 -3.196 -3.174 -13.549 1.00 43.32 N ATOM 651 CA VAL A 38 -2.664 -1.821 -13.666 1.00 54.02 C ATOM 652 C VAL A 38 -1.185 -1.841 -14.035 1.00 33.42 C ATOM 653 O VAL A 38 -0.353 -2.340 -13.277 1.00 52.51 O ATOM 654 CB VAL A 38 -2.845 -1.032 -12.356 1.00 2.22 C ATOM 655 CG1 VAL A 38 -2.356 0.399 -12.522 1.00 62.12 C ATOM 656 CG2 VAL A 38 -4.300 -1.059 -11.914 1.00 53.44 C ATOM 0 H VAL A 38 -3.301 -3.505 -12.590 1.00 43.32 H new ATOM 0 HA VAL A 38 -3.226 -1.328 -14.459 1.00 54.02 H new ATOM 0 HB VAL A 38 -2.245 -1.508 -11.580 1.00 2.22 H new ATOM 0 HG11 VAL A 38 -2.492 0.941 -11.586 1.00 62.12 H new ATOM 0 HG12 VAL A 38 -1.299 0.394 -12.788 1.00 62.12 H new ATOM 0 HG13 VAL A 38 -2.926 0.889 -13.311 1.00 62.12 H new ATOM 0 HG21 VAL A 38 -4.409 -0.497 -10.987 1.00 53.44 H new ATOM 0 HG22 VAL A 38 -4.923 -0.609 -12.687 1.00 53.44 H new ATOM 0 HG23 VAL A 38 -4.612 -2.091 -11.751 1.00 53.44 H new ATOM 666 N ALA A 39 -0.865 -1.296 -15.204 1.00 23.34 N ATOM 667 CA ALA A 39 0.515 -1.249 -15.672 1.00 73.41 C ATOM 668 C ALA A 39 0.843 0.111 -16.276 1.00 44.54 C ATOM 669 O ALA A 39 -0.051 0.909 -16.554 1.00 13.54 O ATOM 670 CB ALA A 39 0.765 -2.354 -16.688 1.00 20.43 C ATOM 0 H ALA A 39 -1.542 -0.881 -15.844 1.00 23.34 H new ATOM 0 HA ALA A 39 1.170 -1.404 -14.814 1.00 73.41 H new ATOM 0 HB1 ALA A 39 1.799 -2.307 -17.029 1.00 20.43 H new ATOM 0 HB2 ALA A 39 0.579 -3.323 -16.225 1.00 20.43 H new ATOM 0 HB3 ALA A 39 0.096 -2.224 -17.539 1.00 20.43 H new ATOM 676 N GLU A 40 2.132 0.369 -16.477 1.00 40.21 N ATOM 677 CA GLU A 40 2.577 1.635 -17.047 1.00 44.23 C ATOM 678 C GLU A 40 3.495 1.400 -18.244 1.00 1.23 C ATOM 679 O GLU A 40 4.150 0.364 -18.342 1.00 62.35 O ATOM 680 CB GLU A 40 3.304 2.469 -15.990 1.00 15.13 C ATOM 681 CG GLU A 40 4.701 1.965 -15.671 1.00 31.21 C ATOM 682 CD GLU A 40 4.904 1.705 -14.191 1.00 32.22 C ATOM 683 OE1 GLU A 40 4.191 0.841 -13.638 1.00 11.34 O ATOM 684 OE2 GLU A 40 5.774 2.364 -13.586 1.00 4.42 O ATOM 0 H GLU A 40 2.885 -0.281 -16.254 1.00 40.21 H new ATOM 0 HA GLU A 40 1.696 2.180 -17.387 1.00 44.23 H new ATOM 0 HB2 GLU A 40 3.369 3.501 -16.336 1.00 15.13 H new ATOM 0 HB3 GLU A 40 2.712 2.476 -15.075 1.00 15.13 H new ATOM 0 HG2 GLU A 40 4.887 1.046 -16.226 1.00 31.21 H new ATOM 0 HG3 GLU A 40 5.434 2.697 -16.011 1.00 31.21 H new ATOM 691 N ASN A 41 3.536 2.371 -19.151 1.00 34.04 N ATOM 692 CA ASN A 41 4.372 2.270 -20.341 1.00 54.13 C ATOM 693 C ASN A 41 5.851 2.278 -19.969 1.00 42.35 C ATOM 694 O ASN A 41 6.205 2.267 -18.791 1.00 33.01 O ATOM 695 CB ASN A 41 4.069 3.422 -21.301 1.00 41.44 C ATOM 696 CG ASN A 41 4.832 4.684 -20.949 1.00 4.43 C ATOM 697 OD1 ASN A 41 5.399 5.344 -21.820 1.00 3.22 O ATOM 698 ND2 ASN A 41 4.850 5.026 -19.665 1.00 63.44 N ATOM 0 H ASN A 41 3.000 3.236 -19.084 1.00 34.04 H new ATOM 0 HA ASN A 41 4.146 1.325 -20.835 1.00 54.13 H new ATOM 0 HB2 ASN A 41 4.321 3.120 -22.318 1.00 41.44 H new ATOM 0 HB3 ASN A 41 2.999 3.631 -21.287 1.00 41.44 H new ATOM 0 HD21 ASN A 41 5.348 5.865 -19.368 1.00 63.44 H new ATOM 0 HD22 ASN A 41 4.366 4.449 -18.977 1.00 63.44 H new ATOM 705 N GLU A 42 6.711 2.299 -20.984 1.00 34.25 N ATOM 706 CA GLU A 42 8.152 2.308 -20.762 1.00 51.44 C ATOM 707 C GLU A 42 8.603 3.641 -20.170 1.00 74.40 C ATOM 708 O GLU A 42 9.486 3.684 -19.314 1.00 10.31 O ATOM 709 CB GLU A 42 8.893 2.044 -22.075 1.00 4.44 C ATOM 710 CG GLU A 42 10.137 1.188 -21.909 1.00 62.51 C ATOM 711 CD GLU A 42 11.189 1.476 -22.963 1.00 10.45 C ATOM 712 OE1 GLU A 42 11.021 1.013 -24.110 1.00 50.42 O ATOM 713 OE2 GLU A 42 12.180 2.165 -22.640 1.00 34.43 O ATOM 0 H GLU A 42 6.435 2.310 -21.966 1.00 34.25 H new ATOM 0 HA GLU A 42 8.390 1.516 -20.052 1.00 51.44 H new ATOM 0 HB2 GLU A 42 8.215 1.553 -22.773 1.00 4.44 H new ATOM 0 HB3 GLU A 42 9.175 2.997 -22.522 1.00 4.44 H new ATOM 0 HG2 GLU A 42 10.562 1.360 -20.920 1.00 62.51 H new ATOM 0 HG3 GLU A 42 9.858 0.135 -21.958 1.00 62.51 H new ATOM 720 N SER A 43 7.989 4.725 -20.633 1.00 1.11 N ATOM 721 CA SER A 43 8.329 6.059 -20.153 1.00 5.31 C ATOM 722 C SER A 43 8.164 6.151 -18.639 1.00 72.40 C ATOM 723 O SER A 43 8.763 7.005 -17.988 1.00 43.21 O ATOM 724 CB SER A 43 7.453 7.110 -20.838 1.00 33.34 C ATOM 725 OG SER A 43 7.426 6.915 -22.241 1.00 41.50 O ATOM 0 H SER A 43 7.254 4.706 -21.340 1.00 1.11 H new ATOM 0 HA SER A 43 9.373 6.251 -20.399 1.00 5.31 H new ATOM 0 HB2 SER A 43 6.439 7.058 -20.441 1.00 33.34 H new ATOM 0 HB3 SER A 43 7.833 8.107 -20.613 1.00 33.34 H new ATOM 0 HG SER A 43 6.773 6.218 -22.462 1.00 41.50 H new ATOM 731 N GLY A 44 7.345 5.262 -18.085 1.00 15.02 N ATOM 732 CA GLY A 44 7.114 5.259 -16.652 1.00 75.51 C ATOM 733 C GLY A 44 6.362 6.489 -16.183 1.00 23.30 C ATOM 734 O GLY A 44 6.262 6.743 -14.983 1.00 33.33 O ATOM 0 H GLY A 44 6.838 4.544 -18.603 1.00 15.02 H new ATOM 0 HA2 GLY A 44 6.550 4.367 -16.380 1.00 75.51 H new ATOM 0 HA3 GLY A 44 8.071 5.202 -16.133 1.00 75.51 H new ATOM 738 N SER A 45 5.835 7.256 -17.132 1.00 33.42 N ATOM 739 CA SER A 45 5.094 8.469 -16.809 1.00 55.34 C ATOM 740 C SER A 45 3.597 8.265 -17.024 1.00 31.02 C ATOM 741 O SER A 45 2.772 8.982 -16.457 1.00 4.25 O ATOM 742 CB SER A 45 5.588 9.637 -17.665 1.00 61.14 C ATOM 743 OG SER A 45 5.357 10.877 -17.019 1.00 62.33 O ATOM 0 H SER A 45 5.907 7.059 -18.130 1.00 33.42 H new ATOM 0 HA SER A 45 5.265 8.700 -15.758 1.00 55.34 H new ATOM 0 HB2 SER A 45 6.653 9.520 -17.865 1.00 61.14 H new ATOM 0 HB3 SER A 45 5.080 9.626 -18.629 1.00 61.14 H new ATOM 0 HG SER A 45 5.683 11.607 -17.586 1.00 62.33 H new ATOM 749 N LYS A 46 3.253 7.281 -17.847 1.00 74.33 N ATOM 750 CA LYS A 46 1.856 6.979 -18.138 1.00 21.42 C ATOM 751 C LYS A 46 1.472 5.606 -17.595 1.00 10.04 C ATOM 752 O LYS A 46 2.099 4.598 -17.924 1.00 0.44 O ATOM 753 CB LYS A 46 1.605 7.030 -19.646 1.00 52.45 C ATOM 754 CG LYS A 46 0.690 5.927 -20.149 1.00 30.00 C ATOM 755 CD LYS A 46 0.179 6.221 -21.550 1.00 24.43 C ATOM 756 CE LYS A 46 -1.080 7.073 -21.517 1.00 21.14 C ATOM 757 NZ LYS A 46 -1.621 7.316 -22.882 1.00 52.05 N ATOM 0 H LYS A 46 3.923 6.678 -18.325 1.00 74.33 H new ATOM 0 HA LYS A 46 1.238 7.731 -17.647 1.00 21.42 H new ATOM 0 HB2 LYS A 46 1.169 7.996 -19.901 1.00 52.45 H new ATOM 0 HB3 LYS A 46 2.560 6.964 -20.167 1.00 52.45 H new ATOM 0 HG2 LYS A 46 1.228 4.979 -20.148 1.00 30.00 H new ATOM 0 HG3 LYS A 46 -0.154 5.815 -19.469 1.00 30.00 H new ATOM 0 HD2 LYS A 46 0.953 6.735 -22.120 1.00 24.43 H new ATOM 0 HD3 LYS A 46 -0.028 5.284 -22.067 1.00 24.43 H new ATOM 0 HE2 LYS A 46 -1.837 6.578 -20.909 1.00 21.14 H new ATOM 0 HE3 LYS A 46 -0.860 8.027 -21.038 1.00 21.14 H new ATOM 0 HZ1 LYS A 46 -2.479 7.900 -22.816 1.00 52.05 H new ATOM 0 HZ2 LYS A 46 -0.908 7.811 -23.455 1.00 52.05 H new ATOM 0 HZ3 LYS A 46 -1.855 6.407 -23.330 1.00 52.05 H new ATOM 771 N THR A 47 0.436 5.573 -16.762 1.00 23.34 N ATOM 772 CA THR A 47 -0.032 4.324 -16.173 1.00 45.04 C ATOM 773 C THR A 47 -1.548 4.207 -16.267 1.00 75.51 C ATOM 774 O THR A 47 -2.266 5.199 -16.154 1.00 0.42 O ATOM 775 CB THR A 47 0.391 4.206 -14.697 1.00 30.41 C ATOM 776 OG1 THR A 47 1.783 4.514 -14.559 1.00 55.12 O ATOM 777 CG2 THR A 47 0.122 2.805 -14.168 1.00 21.03 C ATOM 0 H THR A 47 -0.095 6.397 -16.480 1.00 23.34 H new ATOM 0 HA THR A 47 0.428 3.515 -16.740 1.00 45.04 H new ATOM 0 HB THR A 47 -0.197 4.917 -14.116 1.00 30.41 H new ATOM 0 HG1 THR A 47 2.043 4.438 -13.617 1.00 55.12 H new ATOM 0 HG21 THR A 47 0.429 2.745 -13.124 1.00 21.03 H new ATOM 0 HG22 THR A 47 -0.943 2.585 -14.247 1.00 21.03 H new ATOM 0 HG23 THR A 47 0.687 2.080 -14.754 1.00 21.03 H new ATOM 785 N GLY A 48 -2.031 2.985 -16.474 1.00 53.01 N ATOM 786 CA GLY A 48 -3.461 2.761 -16.579 1.00 33.51 C ATOM 787 C GLY A 48 -3.830 1.297 -16.437 1.00 53.14 C ATOM 788 O GLY A 48 -3.117 0.529 -15.791 1.00 63.32 O ATOM 0 H GLY A 48 -1.458 2.147 -16.571 1.00 53.01 H new ATOM 0 HA2 GLY A 48 -3.974 3.338 -15.809 1.00 33.51 H new ATOM 0 HA3 GLY A 48 -3.814 3.130 -17.542 1.00 33.51 H new ATOM 792 N LEU A 49 -4.948 0.910 -17.041 1.00 74.31 N ATOM 793 CA LEU A 49 -5.413 -0.472 -16.978 1.00 45.13 C ATOM 794 C LEU A 49 -5.137 -1.199 -18.291 1.00 30.04 C ATOM 795 O LEU A 49 -5.403 -0.673 -19.372 1.00 25.24 O ATOM 796 CB LEU A 49 -6.909 -0.514 -16.663 1.00 62.10 C ATOM 797 CG LEU A 49 -7.342 0.176 -15.369 1.00 42.11 C ATOM 798 CD1 LEU A 49 -8.803 0.590 -15.448 1.00 40.22 C ATOM 799 CD2 LEU A 49 -7.108 -0.736 -14.174 1.00 31.31 C ATOM 0 H LEU A 49 -5.549 1.533 -17.580 1.00 74.31 H new ATOM 0 HA LEU A 49 -4.867 -0.978 -16.182 1.00 45.13 H new ATOM 0 HB2 LEU A 49 -7.448 -0.057 -17.493 1.00 62.10 H new ATOM 0 HB3 LEU A 49 -7.221 -1.557 -16.617 1.00 62.10 H new ATOM 0 HG LEU A 49 -6.738 1.074 -15.239 1.00 42.11 H new ATOM 0 HD11 LEU A 49 -9.093 1.079 -14.518 1.00 40.22 H new ATOM 0 HD12 LEU A 49 -8.941 1.281 -16.280 1.00 40.22 H new ATOM 0 HD13 LEU A 49 -9.423 -0.293 -15.602 1.00 40.22 H new ATOM 0 HD21 LEU A 49 -7.422 -0.228 -13.262 1.00 31.31 H new ATOM 0 HD22 LEU A 49 -7.686 -1.652 -14.297 1.00 31.31 H new ATOM 0 HD23 LEU A 49 -6.048 -0.982 -14.106 1.00 31.31 H new ATOM 811 N VAL A 50 -4.605 -2.413 -18.188 1.00 43.22 N ATOM 812 CA VAL A 50 -4.296 -3.214 -19.367 1.00 33.25 C ATOM 813 C VAL A 50 -4.779 -4.650 -19.196 1.00 74.14 C ATOM 814 O VAL A 50 -4.909 -5.160 -18.083 1.00 64.13 O ATOM 815 CB VAL A 50 -2.784 -3.224 -19.658 1.00 60.24 C ATOM 816 CG1 VAL A 50 -2.264 -1.805 -19.834 1.00 35.40 C ATOM 817 CG2 VAL A 50 -2.032 -3.942 -18.548 1.00 32.40 C ATOM 0 H VAL A 50 -4.379 -2.863 -17.301 1.00 43.22 H new ATOM 0 HA VAL A 50 -4.817 -2.755 -20.208 1.00 33.25 H new ATOM 0 HB VAL A 50 -2.615 -3.765 -20.589 1.00 60.24 H new ATOM 0 HG11 VAL A 50 -1.194 -1.832 -20.039 1.00 35.40 H new ATOM 0 HG12 VAL A 50 -2.781 -1.329 -20.667 1.00 35.40 H new ATOM 0 HG13 VAL A 50 -2.444 -1.236 -18.922 1.00 35.40 H new ATOM 0 HG21 VAL A 50 -0.965 -3.939 -18.771 1.00 32.40 H new ATOM 0 HG22 VAL A 50 -2.206 -3.431 -17.601 1.00 32.40 H new ATOM 0 HG23 VAL A 50 -2.385 -4.971 -18.476 1.00 32.40 H new ATOM 827 N PRO A 51 -5.053 -5.320 -20.326 1.00 11.03 N ATOM 828 CA PRO A 51 -5.526 -6.708 -20.328 1.00 45.33 C ATOM 829 C PRO A 51 -4.443 -7.689 -19.892 1.00 72.33 C ATOM 830 O PRO A 51 -3.261 -7.484 -20.164 1.00 42.31 O ATOM 831 CB PRO A 51 -5.909 -6.949 -21.790 1.00 61.24 C ATOM 832 CG PRO A 51 -5.077 -5.986 -22.564 1.00 64.03 C ATOM 833 CD PRO A 51 -4.922 -4.774 -21.687 1.00 62.52 C ATOM 0 HA PRO A 51 -6.347 -6.861 -19.627 1.00 45.33 H new ATOM 0 HB2 PRO A 51 -5.705 -7.977 -22.088 1.00 61.24 H new ATOM 0 HB3 PRO A 51 -6.972 -6.775 -21.954 1.00 61.24 H new ATOM 0 HG2 PRO A 51 -4.106 -6.418 -22.808 1.00 64.03 H new ATOM 0 HG3 PRO A 51 -5.557 -5.726 -23.508 1.00 64.03 H new ATOM 0 HD2 PRO A 51 -3.956 -4.291 -21.835 1.00 62.52 H new ATOM 0 HD3 PRO A 51 -5.687 -4.026 -21.896 1.00 62.52 H new ATOM 841 N GLU A 52 -4.856 -8.756 -19.215 1.00 71.33 N ATOM 842 CA GLU A 52 -3.920 -9.769 -18.742 1.00 30.21 C ATOM 843 C GLU A 52 -3.762 -10.886 -19.769 1.00 62.34 C ATOM 844 O GLU A 52 -2.709 -11.518 -19.857 1.00 14.04 O ATOM 845 CB GLU A 52 -4.395 -10.351 -17.409 1.00 2.02 C ATOM 846 CG GLU A 52 -3.452 -11.391 -16.828 1.00 65.22 C ATOM 847 CD GLU A 52 -3.632 -11.573 -15.334 1.00 32.13 C ATOM 848 OE1 GLU A 52 -4.791 -11.545 -14.869 1.00 73.32 O ATOM 849 OE2 GLU A 52 -2.616 -11.743 -14.629 1.00 4.21 O ATOM 0 H GLU A 52 -5.832 -8.941 -18.982 1.00 71.33 H new ATOM 0 HA GLU A 52 -2.951 -9.292 -18.598 1.00 30.21 H new ATOM 0 HB2 GLU A 52 -4.515 -9.540 -16.691 1.00 2.02 H new ATOM 0 HB3 GLU A 52 -5.378 -10.802 -17.549 1.00 2.02 H new ATOM 0 HG2 GLU A 52 -3.617 -12.345 -17.329 1.00 65.22 H new ATOM 0 HG3 GLU A 52 -2.423 -11.097 -17.033 1.00 65.22 H new ATOM 856 N GLU A 53 -4.816 -11.124 -20.544 1.00 43.51 N ATOM 857 CA GLU A 53 -4.794 -12.165 -21.564 1.00 60.23 C ATOM 858 C GLU A 53 -4.189 -11.642 -22.864 1.00 5.34 C ATOM 859 O GLU A 53 -4.242 -12.306 -23.899 1.00 30.45 O ATOM 860 CB GLU A 53 -6.209 -12.687 -21.822 1.00 70.11 C ATOM 861 CG GLU A 53 -6.363 -14.178 -21.570 1.00 53.51 C ATOM 862 CD GLU A 53 -6.256 -14.535 -20.100 1.00 41.14 C ATOM 863 OE1 GLU A 53 -6.605 -13.683 -19.256 1.00 71.14 O ATOM 864 OE2 GLU A 53 -5.823 -15.665 -19.794 1.00 63.32 O ATOM 0 H GLU A 53 -5.695 -10.610 -20.485 1.00 43.51 H new ATOM 0 HA GLU A 53 -4.173 -12.983 -21.198 1.00 60.23 H new ATOM 0 HB2 GLU A 53 -6.909 -12.145 -21.186 1.00 70.11 H new ATOM 0 HB3 GLU A 53 -6.484 -12.471 -22.854 1.00 70.11 H new ATOM 0 HG2 GLU A 53 -7.329 -14.509 -21.951 1.00 53.51 H new ATOM 0 HG3 GLU A 53 -5.598 -14.718 -22.128 1.00 53.51 H new ATOM 871 N PHE A 54 -3.613 -10.445 -22.802 1.00 33.45 N ATOM 872 CA PHE A 54 -2.999 -9.831 -23.973 1.00 1.24 C ATOM 873 C PHE A 54 -1.516 -9.562 -23.731 1.00 15.11 C ATOM 874 O PHE A 54 -0.786 -9.182 -24.646 1.00 3.32 O ATOM 875 CB PHE A 54 -3.715 -8.525 -24.324 1.00 61.25 C ATOM 876 CG PHE A 54 -4.638 -8.647 -25.503 1.00 51.40 C ATOM 877 CD1 PHE A 54 -5.389 -9.795 -25.697 1.00 24.04 C ATOM 878 CD2 PHE A 54 -4.755 -7.612 -26.418 1.00 21.34 C ATOM 879 CE1 PHE A 54 -6.239 -9.910 -26.780 1.00 13.11 C ATOM 880 CE2 PHE A 54 -5.604 -7.721 -27.502 1.00 73.25 C ATOM 881 CZ PHE A 54 -6.346 -8.872 -27.685 1.00 14.24 C ATOM 0 H PHE A 54 -3.559 -9.882 -21.953 1.00 33.45 H new ATOM 0 HA PHE A 54 -3.093 -10.525 -24.808 1.00 1.24 H new ATOM 0 HB2 PHE A 54 -4.286 -8.189 -23.459 1.00 61.25 H new ATOM 0 HB3 PHE A 54 -2.971 -7.756 -24.533 1.00 61.25 H new ATOM 0 HD1 PHE A 54 -5.309 -10.610 -24.993 1.00 24.04 H new ATOM 0 HD2 PHE A 54 -4.176 -6.711 -26.282 1.00 21.34 H new ATOM 0 HE1 PHE A 54 -6.819 -10.810 -26.919 1.00 13.11 H new ATOM 0 HE2 PHE A 54 -5.688 -6.907 -28.206 1.00 73.25 H new ATOM 0 HZ PHE A 54 -7.008 -8.960 -28.534 1.00 14.24 H new ATOM 891 N VAL A 55 -1.079 -9.762 -22.492 1.00 12.34 N ATOM 892 CA VAL A 55 0.316 -9.542 -22.128 1.00 55.32 C ATOM 893 C VAL A 55 0.946 -10.814 -21.574 1.00 22.14 C ATOM 894 O VAL A 55 0.245 -11.736 -21.158 1.00 30.51 O ATOM 895 CB VAL A 55 0.453 -8.417 -21.085 1.00 41.21 C ATOM 896 CG1 VAL A 55 0.131 -7.067 -21.709 1.00 62.51 C ATOM 897 CG2 VAL A 55 -0.446 -8.688 -19.888 1.00 43.12 C ATOM 0 H VAL A 55 -1.671 -10.076 -21.723 1.00 12.34 H new ATOM 0 HA VAL A 55 0.839 -9.248 -23.038 1.00 55.32 H new ATOM 0 HB VAL A 55 1.486 -8.392 -20.737 1.00 41.21 H new ATOM 0 HG11 VAL A 55 0.233 -6.285 -20.957 1.00 62.51 H new ATOM 0 HG12 VAL A 55 0.820 -6.872 -22.531 1.00 62.51 H new ATOM 0 HG13 VAL A 55 -0.891 -7.075 -22.087 1.00 62.51 H new ATOM 0 HG21 VAL A 55 -0.336 -7.883 -19.161 1.00 43.12 H new ATOM 0 HG22 VAL A 55 -1.484 -8.741 -20.217 1.00 43.12 H new ATOM 0 HG23 VAL A 55 -0.163 -9.634 -19.427 1.00 43.12 H new ATOM 907 N SER A 56 2.275 -10.856 -21.570 1.00 33.51 N ATOM 908 CA SER A 56 3.001 -12.018 -21.069 1.00 50.51 C ATOM 909 C SER A 56 4.104 -11.594 -20.104 1.00 43.55 C ATOM 910 O SER A 56 5.063 -10.926 -20.494 1.00 74.04 O ATOM 911 CB SER A 56 3.601 -12.810 -22.232 1.00 23.43 C ATOM 912 OG SER A 56 4.487 -13.812 -21.762 1.00 44.23 O ATOM 0 H SER A 56 2.870 -10.100 -21.908 1.00 33.51 H new ATOM 0 HA SER A 56 2.297 -12.653 -20.532 1.00 50.51 H new ATOM 0 HB2 SER A 56 2.802 -13.270 -22.814 1.00 23.43 H new ATOM 0 HB3 SER A 56 4.133 -12.134 -22.901 1.00 23.43 H new ATOM 0 HG SER A 56 4.856 -14.306 -22.524 1.00 44.23 H new ATOM 918 N TYR A 57 3.962 -11.986 -18.843 1.00 53.15 N ATOM 919 CA TYR A 57 4.944 -11.645 -17.821 1.00 60.23 C ATOM 920 C TYR A 57 6.342 -12.090 -18.239 1.00 62.14 C ATOM 921 O TYR A 57 6.558 -13.252 -18.585 1.00 63.02 O ATOM 922 CB TYR A 57 4.568 -12.293 -16.487 1.00 44.33 C ATOM 923 CG TYR A 57 3.655 -11.440 -15.636 1.00 42.41 C ATOM 924 CD1 TYR A 57 2.588 -10.752 -16.201 1.00 2.02 C ATOM 925 CD2 TYR A 57 3.859 -11.322 -14.267 1.00 30.34 C ATOM 926 CE1 TYR A 57 1.752 -9.971 -15.427 1.00 11.11 C ATOM 927 CE2 TYR A 57 3.027 -10.545 -13.485 1.00 12.43 C ATOM 928 CZ TYR A 57 1.975 -9.871 -14.069 1.00 41.45 C ATOM 929 OH TYR A 57 1.143 -9.095 -13.295 1.00 5.31 O ATOM 0 H TYR A 57 3.176 -12.540 -18.504 1.00 53.15 H new ATOM 0 HA TYR A 57 4.947 -10.561 -17.703 1.00 60.23 H new ATOM 0 HB2 TYR A 57 4.082 -13.249 -16.681 1.00 44.33 H new ATOM 0 HB3 TYR A 57 5.478 -12.507 -15.927 1.00 44.33 H new ATOM 0 HD1 TYR A 57 2.409 -10.829 -17.263 1.00 2.02 H new ATOM 0 HD2 TYR A 57 4.683 -11.847 -13.806 1.00 30.34 H new ATOM 0 HE1 TYR A 57 0.928 -9.441 -15.882 1.00 11.11 H new ATOM 0 HE2 TYR A 57 3.199 -10.466 -12.422 1.00 12.43 H new ATOM 0 HH TYR A 57 1.436 -9.132 -12.361 1.00 5.31 H new ATOM 939 N ILE A 58 7.288 -11.157 -18.204 1.00 72.34 N ATOM 940 CA ILE A 58 8.665 -11.453 -18.578 1.00 5.53 C ATOM 941 C ILE A 58 9.506 -11.796 -17.352 1.00 54.32 C ATOM 942 O ILE A 58 9.327 -11.214 -16.283 1.00 15.32 O ATOM 943 CB ILE A 58 9.315 -10.267 -19.316 1.00 21.21 C ATOM 944 CG1 ILE A 58 8.411 -9.790 -20.454 1.00 41.14 C ATOM 945 CG2 ILE A 58 10.684 -10.661 -19.849 1.00 63.51 C ATOM 946 CD1 ILE A 58 8.913 -8.538 -21.140 1.00 72.52 C ATOM 0 H ILE A 58 7.126 -10.191 -17.921 1.00 72.34 H new ATOM 0 HA ILE A 58 8.633 -12.313 -19.246 1.00 5.53 H new ATOM 0 HB ILE A 58 9.444 -9.446 -18.611 1.00 21.21 H new ATOM 0 HG12 ILE A 58 8.318 -10.587 -21.192 1.00 41.14 H new ATOM 0 HG13 ILE A 58 7.412 -9.603 -20.060 1.00 41.14 H new ATOM 0 HG21 ILE A 58 11.130 -9.813 -20.368 1.00 63.51 H new ATOM 0 HG22 ILE A 58 11.326 -10.958 -19.019 1.00 63.51 H new ATOM 0 HG23 ILE A 58 10.578 -11.495 -20.542 1.00 63.51 H new ATOM 0 HD11 ILE A 58 8.223 -8.258 -21.936 1.00 72.52 H new ATOM 0 HD12 ILE A 58 8.979 -7.727 -20.415 1.00 72.52 H new ATOM 0 HD13 ILE A 58 9.899 -8.726 -21.564 1.00 72.52 H new ATOM 958 N GLN A 59 10.423 -12.743 -17.517 1.00 42.00 N ATOM 959 CA GLN A 59 11.292 -13.163 -16.424 1.00 1.42 C ATOM 960 C GLN A 59 12.750 -13.197 -16.870 1.00 21.02 C ATOM 961 O GLN A 59 13.060 -13.239 -18.061 1.00 34.33 O ATOM 962 CB GLN A 59 10.871 -14.540 -15.910 1.00 30.42 C ATOM 963 CG GLN A 59 9.989 -14.485 -14.673 1.00 11.21 C ATOM 964 CD GLN A 59 8.722 -15.304 -14.823 1.00 12.45 C ATOM 965 OE1 GLN A 59 7.632 -14.852 -14.471 1.00 13.42 O ATOM 966 NE2 GLN A 59 8.858 -16.516 -15.347 1.00 5.21 N ATOM 0 H GLN A 59 10.584 -13.234 -18.396 1.00 42.00 H new ATOM 0 HA GLN A 59 11.195 -12.437 -15.617 1.00 1.42 H new ATOM 0 HB2 GLN A 59 10.339 -15.067 -16.702 1.00 30.42 H new ATOM 0 HB3 GLN A 59 11.764 -15.123 -15.684 1.00 30.42 H new ATOM 0 HG2 GLN A 59 10.552 -14.848 -13.813 1.00 11.21 H new ATOM 0 HG3 GLN A 59 9.724 -13.448 -14.466 1.00 11.21 H new ATOM 0 HE21 GLN A 59 9.780 -16.851 -15.625 1.00 5.21 H new ATOM 0 HE22 GLN A 59 8.040 -17.112 -15.472 1.00 5.21 H new ATOM 975 N PRO A 60 13.669 -13.178 -15.893 1.00 31.12 N ATOM 976 CA PRO A 60 15.110 -13.207 -16.161 1.00 12.45 C ATOM 977 C PRO A 60 15.572 -14.555 -16.703 1.00 41.30 C ATOM 978 O PRO A 60 16.286 -14.619 -17.703 1.00 70.11 O ATOM 979 CB PRO A 60 15.731 -12.942 -14.787 1.00 1.51 C ATOM 980 CG PRO A 60 14.704 -13.403 -13.811 1.00 43.12 C ATOM 981 CD PRO A 60 13.372 -13.128 -14.451 1.00 53.14 C ATOM 0 HA PRO A 60 15.398 -12.481 -16.922 1.00 12.45 H new ATOM 0 HB2 PRO A 60 16.667 -13.487 -14.664 1.00 1.51 H new ATOM 0 HB3 PRO A 60 15.958 -11.884 -14.653 1.00 1.51 H new ATOM 0 HG2 PRO A 60 14.821 -14.465 -13.594 1.00 43.12 H new ATOM 0 HG3 PRO A 60 14.799 -12.872 -12.864 1.00 43.12 H new ATOM 0 HD2 PRO A 60 12.629 -13.873 -14.168 1.00 53.14 H new ATOM 0 HD3 PRO A 60 12.977 -12.156 -14.156 1.00 53.14 H new ATOM 989 N GLU A 61 15.160 -15.629 -16.037 1.00 14.42 N ATOM 990 CA GLU A 61 15.533 -16.975 -16.453 1.00 72.25 C ATOM 991 C GLU A 61 14.558 -18.007 -15.895 1.00 33.54 C ATOM 992 O GLU A 61 14.914 -19.169 -15.691 1.00 4.20 O ATOM 993 CB GLU A 61 16.955 -17.300 -15.993 1.00 45.40 C ATOM 994 CG GLU A 61 18.031 -16.799 -16.942 1.00 4.11 C ATOM 995 CD GLU A 61 18.777 -15.597 -16.396 1.00 3.11 C ATOM 996 OE1 GLU A 61 19.225 -15.654 -15.232 1.00 34.15 O ATOM 997 OE2 GLU A 61 18.914 -14.599 -17.134 1.00 52.31 O ATOM 0 H GLU A 61 14.568 -15.593 -15.207 1.00 14.42 H new ATOM 0 HA GLU A 61 15.493 -17.015 -17.542 1.00 72.25 H new ATOM 0 HB2 GLU A 61 17.118 -16.862 -15.008 1.00 45.40 H new ATOM 0 HB3 GLU A 61 17.054 -18.380 -15.882 1.00 45.40 H new ATOM 0 HG2 GLU A 61 18.740 -17.603 -17.139 1.00 4.11 H new ATOM 0 HG3 GLU A 61 17.575 -16.536 -17.896 1.00 4.11 H new ATOM 1004 N LEU A 62 13.326 -17.576 -15.648 1.00 52.00 N ATOM 1005 CA LEU A 62 12.298 -18.462 -15.112 1.00 11.50 C ATOM 1006 C LEU A 62 11.200 -18.708 -16.142 1.00 42.00 C ATOM 1007 O LEU A 62 10.783 -17.791 -16.849 1.00 60.41 O ATOM 1008 CB LEU A 62 11.694 -17.864 -13.840 1.00 4.51 C ATOM 1009 CG LEU A 62 12.687 -17.262 -12.845 1.00 2.42 C ATOM 1010 CD1 LEU A 62 11.959 -16.725 -11.623 1.00 13.24 C ATOM 1011 CD2 LEU A 62 13.727 -18.295 -12.437 1.00 73.50 C ATOM 0 H LEU A 62 13.014 -16.618 -15.810 1.00 52.00 H new ATOM 0 HA LEU A 62 12.766 -19.417 -14.871 1.00 11.50 H new ATOM 0 HB2 LEU A 62 10.984 -17.089 -14.128 1.00 4.51 H new ATOM 0 HB3 LEU A 62 11.126 -18.643 -13.330 1.00 4.51 H new ATOM 0 HG LEU A 62 13.200 -16.432 -13.331 1.00 2.42 H new ATOM 0 HD11 LEU A 62 12.682 -16.301 -10.926 1.00 13.24 H new ATOM 0 HD12 LEU A 62 11.254 -15.952 -11.930 1.00 13.24 H new ATOM 0 HD13 LEU A 62 11.419 -17.537 -11.136 1.00 13.24 H new ATOM 0 HD21 LEU A 62 14.425 -17.849 -11.729 1.00 73.50 H new ATOM 0 HD22 LEU A 62 13.231 -19.146 -11.970 1.00 73.50 H new ATOM 0 HD23 LEU A 62 14.271 -18.632 -13.319 1.00 73.50 H new ATOM 1023 N GLU A 63 10.736 -19.951 -16.219 1.00 30.33 N ATOM 1024 CA GLU A 63 9.685 -20.317 -17.162 1.00 4.14 C ATOM 1025 C GLU A 63 8.436 -19.469 -16.940 1.00 30.45 C ATOM 1026 O GLU A 63 8.225 -18.504 -17.671 1.00 52.43 O ATOM 1027 CB GLU A 63 9.340 -21.801 -17.024 1.00 35.03 C ATOM 1028 CG GLU A 63 8.543 -22.126 -15.772 1.00 33.54 C ATOM 1029 CD GLU A 63 9.330 -21.882 -14.499 1.00 1.20 C ATOM 1030 OE1 GLU A 63 10.143 -22.754 -14.126 1.00 54.44 O ATOM 1031 OE2 GLU A 63 9.133 -20.817 -13.876 1.00 24.42 O ATOM 0 H GLU A 63 11.071 -20.721 -15.640 1.00 30.33 H new ATOM 0 HA GLU A 63 10.055 -20.130 -18.170 1.00 4.14 H new ATOM 0 HB2 GLU A 63 8.771 -22.116 -17.899 1.00 35.03 H new ATOM 0 HB3 GLU A 63 10.263 -22.381 -17.018 1.00 35.03 H new ATOM 0 HG2 GLU A 63 7.637 -21.521 -15.756 1.00 33.54 H new ATOM 0 HG3 GLU A 63 8.229 -23.169 -15.806 1.00 33.54 H new TER 1038 GLU A 63 ATOM 1039 N GLY B -9 -7.569 2.307 -5.753 1.00 35.50 N ATOM 1040 CA GLY B -9 -6.760 3.147 -6.616 1.00 10.14 C ATOM 1041 C GLY B -9 -7.597 4.080 -7.468 1.00 15.25 C ATOM 1042 O GLY B -9 -8.820 4.128 -7.332 1.00 12.13 O ATOM 0 H1 GLY B -9 -7.405 2.570 -4.760 1.00 35.50 H new ATOM 0 H2 GLY B -9 -8.574 2.438 -5.985 1.00 35.50 H new ATOM 0 H3 GLY B -9 -7.308 1.310 -5.895 1.00 35.50 H new ATOM 0 HA2 GLY B -9 -6.074 3.735 -6.006 1.00 10.14 H new ATOM 0 HA3 GLY B -9 -6.151 2.517 -7.264 1.00 10.14 H new ATOM 1046 N LYS B -8 -6.939 4.826 -8.348 1.00 43.00 N ATOM 1047 CA LYS B -8 -7.629 5.763 -9.226 1.00 12.42 C ATOM 1048 C LYS B -8 -8.389 5.023 -10.322 1.00 45.55 C ATOM 1049 O LYS B -8 -9.571 5.278 -10.553 1.00 1.02 O ATOM 1050 CB LYS B -8 -6.630 6.739 -9.852 1.00 24.41 C ATOM 1051 CG LYS B -8 -6.095 7.772 -8.875 1.00 61.15 C ATOM 1052 CD LYS B -8 -5.470 8.953 -9.600 1.00 34.34 C ATOM 1053 CE LYS B -8 -6.494 10.044 -9.873 1.00 34.21 C ATOM 1054 NZ LYS B -8 -7.193 9.836 -11.171 1.00 52.03 N ATOM 0 H LYS B -8 -5.927 4.800 -8.472 1.00 43.00 H new ATOM 0 HA LYS B -8 -8.346 6.323 -8.626 1.00 12.42 H new ATOM 0 HB2 LYS B -8 -5.794 6.175 -10.265 1.00 24.41 H new ATOM 0 HB3 LYS B -8 -7.110 7.253 -10.685 1.00 24.41 H new ATOM 0 HG2 LYS B -8 -6.905 8.123 -8.236 1.00 61.15 H new ATOM 0 HG3 LYS B -8 -5.353 7.309 -8.224 1.00 61.15 H new ATOM 0 HD2 LYS B -8 -4.655 9.359 -9.001 1.00 34.34 H new ATOM 0 HD3 LYS B -8 -5.036 8.616 -10.541 1.00 34.34 H new ATOM 0 HE2 LYS B -8 -7.226 10.065 -9.066 1.00 34.21 H new ATOM 0 HE3 LYS B -8 -5.998 11.015 -9.879 1.00 34.21 H new ATOM 0 HZ1 LYS B -8 -7.528 10.751 -11.535 1.00 52.03 H new ATOM 0 HZ2 LYS B -8 -6.535 9.411 -11.855 1.00 52.03 H new ATOM 0 HZ3 LYS B -8 -8.005 9.201 -11.030 1.00 52.03 H new ATOM 1068 N PHE B -7 -7.702 4.106 -10.995 1.00 71.32 N ATOM 1069 CA PHE B -7 -8.312 3.328 -12.067 1.00 54.34 C ATOM 1070 C PHE B -7 -9.379 2.386 -11.517 1.00 11.21 C ATOM 1071 O PHE B -7 -9.228 1.829 -10.429 1.00 71.44 O ATOM 1072 CB PHE B -7 -7.245 2.527 -12.816 1.00 74.11 C ATOM 1073 CG PHE B -7 -6.004 3.317 -13.117 1.00 62.21 C ATOM 1074 CD1 PHE B -7 -6.091 4.594 -13.648 1.00 61.30 C ATOM 1075 CD2 PHE B -7 -4.750 2.783 -12.869 1.00 22.33 C ATOM 1076 CE1 PHE B -7 -4.950 5.322 -13.927 1.00 1.24 C ATOM 1077 CE2 PHE B -7 -3.605 3.507 -13.145 1.00 32.32 C ATOM 1078 CZ PHE B -7 -3.706 4.779 -13.674 1.00 24.44 C ATOM 0 H PHE B -7 -6.723 3.883 -10.817 1.00 71.32 H new ATOM 0 HA PHE B -7 -8.788 4.022 -12.760 1.00 54.34 H new ATOM 0 HB2 PHE B -7 -6.975 1.653 -12.223 1.00 74.11 H new ATOM 0 HB3 PHE B -7 -7.668 2.159 -13.751 1.00 74.11 H new ATOM 0 HD1 PHE B -7 -7.061 5.025 -13.846 1.00 61.30 H new ATOM 0 HD2 PHE B -7 -4.666 1.789 -12.455 1.00 22.33 H new ATOM 0 HE1 PHE B -7 -5.031 6.315 -14.343 1.00 1.24 H new ATOM 0 HE2 PHE B -7 -2.633 3.079 -12.947 1.00 32.32 H new ATOM 0 HZ PHE B -7 -2.814 5.348 -13.889 1.00 24.44 H new ATOM 1088 N ILE B -6 -10.457 2.214 -12.275 1.00 45.52 N ATOM 1089 CA ILE B -6 -11.548 1.340 -11.864 1.00 41.21 C ATOM 1090 C ILE B -6 -12.295 0.788 -13.073 1.00 62.53 C ATOM 1091 O ILE B -6 -13.281 1.359 -13.540 1.00 24.04 O ATOM 1092 CB ILE B -6 -12.546 2.077 -10.951 1.00 61.30 C ATOM 1093 CG1 ILE B -6 -12.917 3.433 -11.554 1.00 74.22 C ATOM 1094 CG2 ILE B -6 -11.959 2.253 -9.559 1.00 0.05 C ATOM 1095 CD1 ILE B -6 -14.367 3.811 -11.345 1.00 31.53 C ATOM 0 H ILE B -6 -10.598 2.669 -13.177 1.00 45.52 H new ATOM 0 HA ILE B -6 -11.100 0.516 -11.309 1.00 41.21 H new ATOM 0 HB ILE B -6 -13.452 1.477 -10.869 1.00 61.30 H new ATOM 0 HG12 ILE B -6 -12.282 4.203 -11.115 1.00 74.22 H new ATOM 0 HG13 ILE B -6 -12.705 3.417 -12.623 1.00 74.22 H new ATOM 0 HG21 ILE B -6 -12.676 2.775 -8.925 1.00 0.05 H new ATOM 0 HG22 ILE B -6 -11.740 1.275 -9.130 1.00 0.05 H new ATOM 0 HG23 ILE B -6 -11.040 2.835 -9.623 1.00 0.05 H new ATOM 0 HD11 ILE B -6 -14.558 4.784 -11.798 1.00 31.53 H new ATOM 0 HD12 ILE B -6 -15.009 3.062 -11.809 1.00 31.53 H new ATOM 0 HD13 ILE B -6 -14.580 3.860 -10.277 1.00 31.53 H new ATOM 1107 N PRO B -5 -11.817 -0.353 -13.594 1.00 1.44 N ATOM 1108 CA PRO B -5 -12.426 -1.010 -14.754 1.00 43.50 C ATOM 1109 C PRO B -5 -13.788 -1.614 -14.430 1.00 3.33 C ATOM 1110 O PRO B -5 -13.962 -2.256 -13.394 1.00 63.02 O ATOM 1111 CB PRO B -5 -11.422 -2.111 -15.105 1.00 52.32 C ATOM 1112 CG PRO B -5 -10.711 -2.396 -13.828 1.00 22.42 C ATOM 1113 CD PRO B -5 -10.646 -1.089 -13.089 1.00 4.53 C ATOM 0 HA PRO B -5 -12.613 -0.309 -15.568 1.00 43.50 H new ATOM 0 HB2 PRO B -5 -11.926 -3.000 -15.485 1.00 52.32 H new ATOM 0 HB3 PRO B -5 -10.729 -1.782 -15.879 1.00 52.32 H new ATOM 0 HG2 PRO B -5 -11.243 -3.148 -13.245 1.00 22.42 H new ATOM 0 HG3 PRO B -5 -9.711 -2.787 -14.017 1.00 22.42 H new ATOM 0 HD2 PRO B -5 -10.698 -1.234 -12.010 1.00 4.53 H new ATOM 0 HD3 PRO B -5 -9.717 -0.557 -13.295 1.00 4.53 H new ATOM 1121 N SER B -4 -14.751 -1.404 -15.322 1.00 4.13 N ATOM 1122 CA SER B -4 -16.099 -1.925 -15.128 1.00 65.43 C ATOM 1123 C SER B -4 -16.615 -2.583 -16.404 1.00 62.24 C ATOM 1124 O SER B -4 -17.628 -2.165 -16.965 1.00 60.12 O ATOM 1125 CB SER B -4 -17.046 -0.803 -14.700 1.00 41.14 C ATOM 1126 OG SER B -4 -17.028 -0.629 -13.294 1.00 43.42 O ATOM 0 H SER B -4 -14.623 -0.877 -16.186 1.00 4.13 H new ATOM 0 HA SER B -4 -16.061 -2.678 -14.341 1.00 65.43 H new ATOM 0 HB2 SER B -4 -16.757 0.127 -15.188 1.00 41.14 H new ATOM 0 HB3 SER B -4 -18.060 -1.033 -15.028 1.00 41.14 H new ATOM 0 HG SER B -4 -17.640 0.095 -13.046 1.00 43.42 H new ATOM 1132 N ARG B -3 -15.910 -3.615 -16.857 1.00 53.05 N ATOM 1133 CA ARG B -3 -16.296 -4.331 -18.068 1.00 4.32 C ATOM 1134 C ARG B -3 -15.400 -5.546 -18.289 1.00 33.42 C ATOM 1135 O ARG B -3 -14.250 -5.589 -17.851 1.00 34.11 O ATOM 1136 CB ARG B -3 -16.221 -3.402 -19.281 1.00 3.41 C ATOM 1137 CG ARG B -3 -14.800 -3.095 -19.726 1.00 52.13 C ATOM 1138 CD ARG B -3 -14.783 -2.236 -20.981 1.00 71.12 C ATOM 1139 NE ARG B -3 -13.696 -2.606 -21.883 1.00 64.40 N ATOM 1140 CZ ARG B -3 -13.755 -3.634 -22.723 1.00 51.52 C ATOM 1141 NH1 ARG B -3 -14.844 -4.388 -22.777 1.00 22.33 N ATOM 1142 NH2 ARG B -3 -12.724 -3.907 -23.512 1.00 72.25 N ATOM 0 H ARG B -3 -15.069 -3.974 -16.404 1.00 53.05 H new ATOM 0 HA ARG B -3 -17.323 -4.675 -17.945 1.00 4.32 H new ATOM 0 HB2 ARG B -3 -16.762 -3.857 -20.111 1.00 3.41 H new ATOM 0 HB3 ARG B -3 -16.729 -2.467 -19.044 1.00 3.41 H new ATOM 0 HG2 ARG B -3 -14.270 -2.581 -18.925 1.00 52.13 H new ATOM 0 HG3 ARG B -3 -14.267 -4.027 -19.914 1.00 52.13 H new ATOM 0 HD2 ARG B -3 -15.736 -2.336 -21.501 1.00 71.12 H new ATOM 0 HD3 ARG B -3 -14.681 -1.187 -20.701 1.00 71.12 H new ATOM 0 HE ARG B -3 -12.845 -2.045 -21.867 1.00 64.40 H new ATOM 0 HH11 ARG B -3 -15.639 -4.180 -22.173 1.00 22.33 H new ATOM 0 HH12 ARG B -3 -14.887 -5.177 -23.423 1.00 22.33 H new ATOM 0 HH21 ARG B -3 -11.885 -3.328 -23.474 1.00 72.25 H new ATOM 0 HH22 ARG B -3 -12.770 -4.696 -24.157 1.00 72.25 H new ATOM 1156 N PRO B -2 -15.939 -6.559 -18.984 1.00 24.41 N ATOM 1157 CA PRO B -2 -15.206 -7.794 -19.279 1.00 30.53 C ATOM 1158 C PRO B -2 -14.080 -7.575 -20.283 1.00 3.32 C ATOM 1159 O PRO B -2 -14.294 -7.014 -21.357 1.00 61.22 O ATOM 1160 CB PRO B -2 -16.280 -8.711 -19.871 1.00 45.34 C ATOM 1161 CG PRO B -2 -17.301 -7.783 -20.434 1.00 22.33 C ATOM 1162 CD PRO B -2 -17.304 -6.577 -19.536 1.00 44.10 C ATOM 0 HA PRO B -2 -14.720 -8.201 -18.392 1.00 30.53 H new ATOM 0 HB2 PRO B -2 -15.866 -9.359 -20.643 1.00 45.34 H new ATOM 0 HB3 PRO B -2 -16.712 -9.359 -19.108 1.00 45.34 H new ATOM 0 HG2 PRO B -2 -17.054 -7.506 -21.459 1.00 22.33 H new ATOM 0 HG3 PRO B -2 -18.284 -8.253 -20.459 1.00 22.33 H new ATOM 0 HD2 PRO B -2 -17.526 -5.665 -20.089 1.00 44.10 H new ATOM 0 HD3 PRO B -2 -18.054 -6.663 -18.750 1.00 44.10 H new ATOM 1170 N ALA B -1 -12.880 -8.020 -19.926 1.00 24.33 N ATOM 1171 CA ALA B -1 -11.720 -7.874 -20.797 1.00 72.30 C ATOM 1172 C ALA B -1 -11.914 -8.639 -22.102 1.00 33.11 C ATOM 1173 O ALA B -1 -12.674 -9.605 -22.176 1.00 60.22 O ATOM 1174 CB ALA B -1 -10.462 -8.351 -20.086 1.00 13.21 C ATOM 0 H ALA B -1 -12.685 -8.485 -19.039 1.00 24.33 H new ATOM 0 HA ALA B -1 -11.609 -6.817 -21.038 1.00 72.30 H new ATOM 0 HB1 ALA B -1 -9.604 -8.236 -20.748 1.00 13.21 H new ATOM 0 HB2 ALA B -1 -10.307 -7.758 -19.185 1.00 13.21 H new ATOM 0 HB3 ALA B -1 -10.573 -9.401 -19.815 1.00 13.21 H new ATOM 1180 N PRO B 0 -11.213 -8.198 -23.157 1.00 30.50 N ATOM 1181 CA PRO B 0 -11.292 -8.828 -24.479 1.00 10.44 C ATOM 1182 C PRO B 0 -10.647 -10.209 -24.503 1.00 22.04 C ATOM 1183 O PRO B 0 -10.311 -10.767 -23.458 1.00 21.21 O ATOM 1184 CB PRO B 0 -10.519 -7.861 -25.379 1.00 3.44 C ATOM 1185 CG PRO B 0 -9.577 -7.160 -24.461 1.00 70.11 C ATOM 1186 CD PRO B 0 -10.288 -7.052 -23.141 1.00 35.53 C ATOM 0 HA PRO B 0 -12.323 -8.991 -24.792 1.00 10.44 H new ATOM 0 HB2 PRO B 0 -9.983 -8.394 -26.165 1.00 3.44 H new ATOM 0 HB3 PRO B 0 -11.189 -7.157 -25.872 1.00 3.44 H new ATOM 0 HG2 PRO B 0 -8.646 -7.717 -24.358 1.00 70.11 H new ATOM 0 HG3 PRO B 0 -9.318 -6.174 -24.846 1.00 70.11 H new ATOM 0 HD2 PRO B 0 -9.592 -7.109 -22.304 1.00 35.53 H new ATOM 0 HD3 PRO B 0 -10.822 -6.106 -23.048 1.00 35.53 H new ATOM 1194 N LYS B 1 -10.476 -10.756 -25.701 1.00 65.22 N ATOM 1195 CA LYS B 1 -9.869 -12.072 -25.862 1.00 63.25 C ATOM 1196 C LYS B 1 -8.909 -12.087 -27.048 1.00 22.12 C ATOM 1197 O LYS B 1 -9.041 -11.310 -27.994 1.00 24.41 O ATOM 1198 CB LYS B 1 -10.952 -13.136 -26.056 1.00 41.33 C ATOM 1199 CG LYS B 1 -11.408 -13.283 -27.497 1.00 74.34 C ATOM 1200 CD LYS B 1 -12.045 -12.004 -28.014 1.00 61.15 C ATOM 1201 CE LYS B 1 -13.216 -11.573 -27.144 1.00 44.14 C ATOM 1202 NZ LYS B 1 -14.241 -10.826 -27.925 1.00 21.05 N ATOM 0 H LYS B 1 -10.749 -10.308 -26.576 1.00 65.22 H new ATOM 0 HA LYS B 1 -9.305 -12.297 -24.957 1.00 63.25 H new ATOM 0 HB2 LYS B 1 -10.574 -14.096 -25.703 1.00 41.33 H new ATOM 0 HB3 LYS B 1 -11.812 -12.885 -25.435 1.00 41.33 H new ATOM 0 HG2 LYS B 1 -10.556 -13.545 -28.124 1.00 74.34 H new ATOM 0 HG3 LYS B 1 -12.123 -14.102 -27.571 1.00 74.34 H new ATOM 0 HD2 LYS B 1 -11.299 -11.210 -28.041 1.00 61.15 H new ATOM 0 HD3 LYS B 1 -12.387 -12.155 -29.038 1.00 61.15 H new ATOM 0 HE2 LYS B 1 -13.674 -12.452 -26.690 1.00 44.14 H new ATOM 0 HE3 LYS B 1 -12.852 -10.947 -26.329 1.00 44.14 H new ATOM 0 HZ1 LYS B 1 -15.023 -10.550 -27.297 1.00 21.05 H new ATOM 0 HZ2 LYS B 1 -13.810 -9.974 -28.337 1.00 21.05 H new ATOM 0 HZ3 LYS B 1 -14.607 -11.432 -28.687 1.00 21.05 H new ATOM 1216 N PRO B 2 -7.920 -12.992 -26.998 1.00 70.13 N ATOM 1217 CA PRO B 2 -6.920 -13.131 -28.061 1.00 72.13 C ATOM 1218 C PRO B 2 -7.513 -13.705 -29.344 1.00 13.53 C ATOM 1219 O PRO B 2 -8.603 -14.278 -29.350 1.00 24.20 O ATOM 1220 CB PRO B 2 -5.899 -14.102 -27.463 1.00 74.42 C ATOM 1221 CG PRO B 2 -6.668 -14.889 -26.458 1.00 52.42 C ATOM 1222 CD PRO B 2 -7.702 -13.950 -25.901 1.00 54.21 C ATOM 0 HA PRO B 2 -6.496 -12.169 -28.350 1.00 72.13 H new ATOM 0 HB2 PRO B 2 -5.472 -14.749 -28.229 1.00 74.42 H new ATOM 0 HB3 PRO B 2 -5.070 -13.568 -26.998 1.00 74.42 H new ATOM 0 HG2 PRO B 2 -7.138 -15.758 -26.919 1.00 52.42 H new ATOM 0 HG3 PRO B 2 -6.014 -15.261 -25.670 1.00 52.42 H new ATOM 0 HD2 PRO B 2 -8.620 -14.474 -25.637 1.00 54.21 H new ATOM 0 HD3 PRO B 2 -7.348 -13.453 -24.998 1.00 54.21 H new ATOM 1230 N PRO B 3 -6.782 -13.548 -30.457 1.00 5.32 N ATOM 1231 CA PRO B 3 -7.216 -14.044 -31.766 1.00 24.31 C ATOM 1232 C PRO B 3 -7.190 -15.567 -31.846 1.00 10.10 C ATOM 1233 O PRO B 3 -8.041 -16.178 -32.492 1.00 31.33 O ATOM 1234 CB PRO B 3 -6.192 -13.441 -32.731 1.00 54.23 C ATOM 1235 CG PRO B 3 -4.977 -13.213 -31.901 1.00 24.20 C ATOM 1236 CD PRO B 3 -5.474 -12.874 -30.523 1.00 22.10 C ATOM 0 HA PRO B 3 -8.246 -13.765 -31.987 1.00 24.31 H new ATOM 0 HB2 PRO B 3 -5.984 -14.117 -33.560 1.00 54.23 H new ATOM 0 HB3 PRO B 3 -6.557 -12.509 -33.163 1.00 54.23 H new ATOM 0 HG2 PRO B 3 -4.346 -14.102 -31.881 1.00 24.20 H new ATOM 0 HG3 PRO B 3 -4.373 -12.402 -32.308 1.00 24.20 H new ATOM 0 HD2 PRO B 3 -4.796 -13.237 -29.751 1.00 22.10 H new ATOM 0 HD3 PRO B 3 -5.569 -11.797 -30.384 1.00 22.10 H new ATOM 1244 N SER B 4 -6.209 -16.173 -31.186 1.00 22.25 N ATOM 1245 CA SER B 4 -6.071 -17.625 -31.185 1.00 2.10 C ATOM 1246 C SER B 4 -5.806 -18.146 -32.594 1.00 45.12 C ATOM 1247 O SER B 4 -6.386 -19.145 -33.018 1.00 22.52 O ATOM 1248 CB SER B 4 -7.332 -18.278 -30.616 1.00 70.05 C ATOM 1249 OG SER B 4 -7.822 -17.555 -29.501 1.00 55.40 O ATOM 0 H SER B 4 -5.498 -15.681 -30.645 1.00 22.25 H new ATOM 0 HA SER B 4 -5.220 -17.884 -30.555 1.00 2.10 H new ATOM 0 HB2 SER B 4 -8.100 -18.327 -31.388 1.00 70.05 H new ATOM 0 HB3 SER B 4 -7.112 -19.304 -30.320 1.00 70.05 H new ATOM 0 HG SER B 4 -8.629 -17.992 -29.157 1.00 55.40 H new ATOM 1255 N SER B 5 -4.924 -17.460 -33.316 1.00 34.54 N ATOM 1256 CA SER B 5 -4.584 -17.851 -34.679 1.00 0.42 C ATOM 1257 C SER B 5 -3.359 -18.760 -34.694 1.00 34.52 C ATOM 1258 O SER B 5 -3.328 -19.765 -35.403 1.00 60.43 O ATOM 1259 CB SER B 5 -4.323 -16.611 -35.536 1.00 42.14 C ATOM 1260 OG SER B 5 -3.678 -15.597 -34.785 1.00 30.33 O ATOM 0 H SER B 5 -4.433 -16.632 -32.980 1.00 34.54 H new ATOM 0 HA SER B 5 -5.428 -18.401 -35.095 1.00 0.42 H new ATOM 0 HB2 SER B 5 -3.706 -16.881 -36.393 1.00 42.14 H new ATOM 0 HB3 SER B 5 -5.266 -16.232 -35.929 1.00 42.14 H new ATOM 0 HG SER B 5 -3.521 -14.816 -35.356 1.00 30.33 H new ATOM 1266 N ALA B 6 -2.352 -18.400 -33.905 1.00 55.20 N ATOM 1267 CA ALA B 6 -1.126 -19.184 -33.825 1.00 51.51 C ATOM 1268 C ALA B 6 -1.388 -20.550 -33.202 1.00 23.42 C ATOM 1269 O ALA B 6 -1.040 -20.793 -32.045 1.00 43.25 O ATOM 1270 CB ALA B 6 -0.070 -18.432 -33.029 1.00 11.53 C ATOM 0 H ALA B 6 -2.361 -17.570 -33.312 1.00 55.20 H new ATOM 0 HA ALA B 6 -0.757 -19.341 -34.839 1.00 51.51 H new ATOM 0 HB1 ALA B 6 0.840 -19.029 -32.977 1.00 11.53 H new ATOM 0 HB2 ALA B 6 0.146 -17.482 -33.518 1.00 11.53 H new ATOM 0 HB3 ALA B 6 -0.439 -18.245 -32.021 1.00 11.53 H new TER 1276 ALA B 6