USER MOD reduce.3.24.130724 H: found=0, std=0, add=1069, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1063 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 29 CYS SG : rot 180:sc=-0.00926 USER MOD Set 1.2: A 40 LYS NZ :NH3+ 140:sc= 0.557 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.115 USER MOD Single : A 8 TYR OH : rot 30:sc= 0 USER MOD Single : A -2 MET CE :methyl -165:sc= -0.107 (180deg=-0.833) USER MOD Single : A -2 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -167:sc=-0.00327 (180deg=-0.0862) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0544 K(o=-0.054,f=-0.75) USER MOD Single : A 27 SER OG : rot 71:sc= 0.5 USER MOD Single : A 31 HIS : no HD1:sc= -4.91! C(o=-4.9!,f=-7!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 43AASN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 53 SER OG : rot 175:sc= -0.597 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 147:sc= -1.18 (180deg=-3.73!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 30:sc= 0 USER MOD Single : A 68 SER OG : rot -34:sc= 0.398 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0333 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 GLN :FLIP amide:sc= -0.0927 F(o=-0.65,f=-0.093) USER MOD Single : A 78 MET CE :methyl -162:sc= -1.06 (180deg=-1.18) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.0262 USER MOD Single : A 91 GLN : amide:sc= -0.182 K(o=-0.18,f=-1.1) USER MOD Single : A 93 LYS NZ :NH3+ -148:sc= 1.67 (180deg=-0.0546) USER MOD Single : A 95 GLN : amide:sc= -0.426 X(o=-0.43,f=-0.2) USER MOD Single : A 96 THR OG1 : rot -89:sc= 1.16 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot -57:sc= 0.00381 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 108 ASN : amide:sc=-0.000652 X(o=-0.00065,f=-0.00065) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 112 GLN : amide:sc= -0.056 K(o=-0.056,f=-4.6!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -0.283 K(o=-0.28,f=-1.8!) 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 USER MOD Single : B -4 SER OG : rot 180:sc= 0 USER MOD Single : B -8 LYS NZ :NH3+ -165:sc= 0.718 (180deg=0.57) USER MOD Single : B -9 GLY N :NH3+ 178:sc= -1.47 (180deg=-1.62) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -2 2.314 1.216 -6.165 1.00 50.13 N ATOM 2 CA MET A -2 2.991 -0.005 -5.744 1.00 41.03 C ATOM 3 C MET A -2 2.682 -1.154 -6.698 1.00 60.52 C ATOM 4 O MET A -2 1.522 -1.412 -7.020 1.00 4.41 O ATOM 5 CB MET A -2 2.573 -0.381 -4.322 1.00 12.04 C ATOM 6 CG MET A -2 2.978 -1.790 -3.921 1.00 65.23 C ATOM 7 SD MET A -2 4.753 -2.072 -4.074 1.00 11.15 S ATOM 8 CE MET A -2 4.848 -3.826 -3.727 1.00 21.54 C ATOM 0 H1 MET A -2 2.539 1.984 -5.501 1.00 50.13 H new ATOM 0 H2 MET A -2 2.633 1.479 -7.119 1.00 50.13 H new ATOM 0 H3 MET A -2 1.286 1.057 -6.175 1.00 50.13 H new ATOM 0 HA MET A -2 4.065 0.180 -5.762 1.00 41.03 H new ATOM 0 HB2 MET A -2 3.016 0.328 -3.623 1.00 12.04 H new ATOM 0 HB3 MET A -2 1.491 -0.284 -4.233 1.00 12.04 H new ATOM 0 HG2 MET A -2 2.672 -1.972 -2.891 1.00 65.23 H new ATOM 0 HG3 MET A -2 2.445 -2.508 -4.544 1.00 65.23 H new ATOM 0 HE1 MET A -2 5.882 -4.101 -3.520 1.00 21.54 H new ATOM 0 HE2 MET A -2 4.230 -4.059 -2.860 1.00 21.54 H new ATOM 0 HE3 MET A -2 4.489 -4.387 -4.590 1.00 21.54 H new ATOM 18 N ALA A -1 3.727 -1.842 -7.147 1.00 71.13 N ATOM 19 CA ALA A -1 3.566 -2.965 -8.063 1.00 2.12 C ATOM 20 C ALA A -1 4.568 -4.073 -7.754 1.00 55.30 C ATOM 21 O ALA A -1 5.619 -3.843 -7.156 1.00 32.34 O ATOM 22 CB ALA A -1 3.720 -2.498 -9.503 1.00 30.03 C ATOM 0 H ALA A -1 4.694 -1.641 -6.891 1.00 71.13 H new ATOM 0 HA ALA A -1 2.563 -3.370 -7.930 1.00 2.12 H new ATOM 0 HB1 ALA A -1 3.597 -3.347 -10.176 1.00 30.03 H new ATOM 0 HB2 ALA A -1 2.962 -1.747 -9.725 1.00 30.03 H new ATOM 0 HB3 ALA A -1 4.711 -2.066 -9.641 1.00 30.03 H new ATOM 28 N PRO A 1 4.236 -5.304 -8.170 1.00 60.02 N ATOM 29 CA PRO A 1 5.094 -6.472 -7.949 1.00 34.13 C ATOM 30 C PRO A 1 6.366 -6.425 -8.788 1.00 11.32 C ATOM 31 O PRO A 1 6.433 -7.015 -9.867 1.00 33.43 O ATOM 32 CB PRO A 1 4.212 -7.646 -8.380 1.00 72.53 C ATOM 33 CG PRO A 1 3.248 -7.059 -9.353 1.00 21.21 C ATOM 34 CD PRO A 1 2.999 -5.651 -8.890 1.00 12.45 C ATOM 0 HA PRO A 1 5.438 -6.535 -6.917 1.00 34.13 H new ATOM 0 HB2 PRO A 1 4.804 -8.438 -8.838 1.00 72.53 H new ATOM 0 HB3 PRO A 1 3.695 -8.087 -7.527 1.00 72.53 H new ATOM 0 HG2 PRO A 1 3.657 -7.071 -10.363 1.00 21.21 H new ATOM 0 HG3 PRO A 1 2.321 -7.632 -9.378 1.00 21.21 H new ATOM 0 HD2 PRO A 1 2.820 -4.978 -9.729 1.00 12.45 H new ATOM 0 HD3 PRO A 1 2.126 -5.590 -8.241 1.00 12.45 H new ATOM 42 N LEU A 2 7.374 -5.719 -8.286 1.00 73.25 N ATOM 43 CA LEU A 2 8.645 -5.595 -8.990 1.00 65.22 C ATOM 44 C LEU A 2 9.368 -6.937 -9.050 1.00 21.24 C ATOM 45 O LEU A 2 9.280 -7.743 -8.123 1.00 74.32 O ATOM 46 CB LEU A 2 9.532 -4.556 -8.302 1.00 42.45 C ATOM 47 CG LEU A 2 10.145 -4.975 -6.966 1.00 64.21 C ATOM 48 CD1 LEU A 2 11.485 -4.287 -6.754 1.00 11.10 C ATOM 49 CD2 LEU A 2 9.195 -4.660 -5.821 1.00 35.14 C ATOM 0 H LEU A 2 7.335 -5.224 -7.395 1.00 73.25 H new ATOM 0 HA LEU A 2 8.437 -5.269 -10.009 1.00 65.22 H new ATOM 0 HB2 LEU A 2 10.341 -4.291 -8.983 1.00 42.45 H new ATOM 0 HB3 LEU A 2 8.942 -3.654 -8.141 1.00 42.45 H new ATOM 0 HG LEU A 2 10.312 -6.052 -6.987 1.00 64.21 H new ATOM 0 HD11 LEU A 2 11.906 -4.598 -5.798 1.00 11.10 H new ATOM 0 HD12 LEU A 2 12.167 -4.563 -7.558 1.00 11.10 H new ATOM 0 HD13 LEU A 2 11.343 -3.206 -6.754 1.00 11.10 H new ATOM 0 HD21 LEU A 2 9.648 -4.965 -4.878 1.00 35.14 H new ATOM 0 HD22 LEU A 2 8.996 -3.589 -5.798 1.00 35.14 H new ATOM 0 HD23 LEU A 2 8.259 -5.200 -5.965 1.00 35.14 H new ATOM 61 N PHE A 3 10.085 -7.170 -10.144 1.00 52.53 N ATOM 62 CA PHE A 3 10.824 -8.413 -10.324 1.00 63.42 C ATOM 63 C PHE A 3 12.329 -8.161 -10.292 1.00 31.22 C ATOM 64 O PHE A 3 12.805 -7.125 -10.753 1.00 43.24 O ATOM 65 CB PHE A 3 10.435 -9.076 -11.647 1.00 62.03 C ATOM 66 CG PHE A 3 9.091 -9.745 -11.610 1.00 51.23 C ATOM 67 CD1 PHE A 3 7.940 -9.005 -11.393 1.00 11.32 C ATOM 68 CD2 PHE A 3 8.978 -11.114 -11.792 1.00 42.35 C ATOM 69 CE1 PHE A 3 6.701 -9.617 -11.359 1.00 2.05 C ATOM 70 CE2 PHE A 3 7.742 -11.731 -11.760 1.00 23.43 C ATOM 71 CZ PHE A 3 6.602 -10.982 -11.541 1.00 65.32 C ATOM 0 H PHE A 3 10.170 -6.513 -10.920 1.00 52.53 H new ATOM 0 HA PHE A 3 10.567 -9.081 -9.502 1.00 63.42 H new ATOM 0 HB2 PHE A 3 10.436 -8.323 -12.435 1.00 62.03 H new ATOM 0 HB3 PHE A 3 11.192 -9.814 -11.911 1.00 62.03 H new ATOM 0 HD1 PHE A 3 8.012 -7.937 -11.249 1.00 11.32 H new ATOM 0 HD2 PHE A 3 9.866 -11.705 -11.961 1.00 42.35 H new ATOM 0 HE1 PHE A 3 5.812 -9.028 -11.190 1.00 2.05 H new ATOM 0 HE2 PHE A 3 7.667 -12.798 -11.906 1.00 23.43 H new ATOM 0 HZ PHE A 3 5.636 -11.463 -11.512 1.00 65.32 H new ATOM 81 N ALA A 4 13.071 -9.117 -9.742 1.00 43.23 N ATOM 82 CA ALA A 4 14.521 -9.000 -9.650 1.00 43.14 C ATOM 83 C ALA A 4 15.210 -10.219 -10.254 1.00 73.31 C ATOM 84 O ALA A 4 14.640 -11.310 -10.294 1.00 61.01 O ATOM 85 CB ALA A 4 14.945 -8.816 -8.201 1.00 1.12 C ATOM 0 H ALA A 4 12.692 -9.981 -9.354 1.00 43.23 H new ATOM 0 HA ALA A 4 14.826 -8.123 -10.221 1.00 43.14 H new ATOM 0 HB1 ALA A 4 16.030 -8.730 -8.148 1.00 1.12 H new ATOM 0 HB2 ALA A 4 14.489 -7.910 -7.801 1.00 1.12 H new ATOM 0 HB3 ALA A 4 14.620 -9.675 -7.615 1.00 1.12 H new ATOM 91 N VAL A 5 16.438 -10.027 -10.724 1.00 23.51 N ATOM 92 CA VAL A 5 17.205 -11.112 -11.326 1.00 32.14 C ATOM 93 C VAL A 5 18.521 -11.330 -10.588 1.00 43.52 C ATOM 94 O VAL A 5 19.337 -10.415 -10.468 1.00 23.03 O ATOM 95 CB VAL A 5 17.501 -10.833 -12.811 1.00 60.11 C ATOM 96 CG1 VAL A 5 18.210 -9.497 -12.973 1.00 25.34 C ATOM 97 CG2 VAL A 5 18.328 -11.961 -13.410 1.00 13.00 C ATOM 0 H VAL A 5 16.924 -9.130 -10.700 1.00 23.51 H new ATOM 0 HA VAL A 5 16.595 -12.012 -11.248 1.00 32.14 H new ATOM 0 HB VAL A 5 16.554 -10.782 -13.349 1.00 60.11 H new ATOM 0 HG11 VAL A 5 18.411 -9.317 -14.029 1.00 25.34 H new ATOM 0 HG12 VAL A 5 17.577 -8.700 -12.583 1.00 25.34 H new ATOM 0 HG13 VAL A 5 19.151 -9.515 -12.423 1.00 25.34 H new ATOM 0 HG21 VAL A 5 18.528 -11.748 -14.460 1.00 13.00 H new ATOM 0 HG22 VAL A 5 19.272 -12.046 -12.871 1.00 13.00 H new ATOM 0 HG23 VAL A 5 17.778 -12.898 -13.329 1.00 13.00 H new ATOM 107 N THR A 6 18.723 -12.548 -10.096 1.00 3.24 N ATOM 108 CA THR A 6 19.940 -12.886 -9.369 1.00 64.31 C ATOM 109 C THR A 6 21.176 -12.668 -10.235 1.00 1.03 C ATOM 110 O THR A 6 21.171 -12.970 -11.429 1.00 4.41 O ATOM 111 CB THR A 6 19.918 -14.349 -8.886 1.00 11.31 C ATOM 112 OG1 THR A 6 18.639 -14.934 -9.155 1.00 62.02 O ATOM 113 CG2 THR A 6 20.215 -14.431 -7.396 1.00 64.13 C ATOM 0 H THR A 6 18.059 -13.317 -10.188 1.00 3.24 H new ATOM 0 HA THR A 6 19.985 -12.225 -8.503 1.00 64.31 H new ATOM 0 HB THR A 6 20.689 -14.899 -9.425 1.00 11.31 H new ATOM 0 HG1 THR A 6 18.633 -15.864 -8.847 1.00 62.02 H new ATOM 0 HG21 THR A 6 20.194 -15.473 -7.078 1.00 64.13 H new ATOM 0 HG22 THR A 6 21.201 -14.011 -7.198 1.00 64.13 H new ATOM 0 HG23 THR A 6 19.463 -13.868 -6.844 1.00 64.13 H new ATOM 121 N LEU A 7 22.234 -12.143 -9.626 1.00 13.10 N ATOM 122 CA LEU A 7 23.478 -11.885 -10.342 1.00 4.34 C ATOM 123 C LEU A 7 24.546 -12.906 -9.963 1.00 22.02 C ATOM 124 O LEU A 7 25.551 -13.057 -10.659 1.00 15.50 O ATOM 125 CB LEU A 7 23.979 -10.471 -10.041 1.00 0.05 C ATOM 126 CG LEU A 7 22.954 -9.348 -10.202 1.00 4.41 C ATOM 127 CD1 LEU A 7 23.218 -8.236 -9.198 1.00 30.33 C ATOM 128 CD2 LEU A 7 22.980 -8.802 -11.622 1.00 70.44 C ATOM 0 H LEU A 7 22.255 -11.888 -8.639 1.00 13.10 H new ATOM 0 HA LEU A 7 23.279 -11.974 -11.410 1.00 4.34 H new ATOM 0 HB2 LEU A 7 24.354 -10.450 -9.018 1.00 0.05 H new ATOM 0 HB3 LEU A 7 24.825 -10.260 -10.695 1.00 0.05 H new ATOM 0 HG LEU A 7 21.962 -9.757 -10.009 1.00 4.41 H new ATOM 0 HD11 LEU A 7 22.479 -7.446 -9.328 1.00 30.33 H new ATOM 0 HD12 LEU A 7 23.149 -8.635 -8.186 1.00 30.33 H new ATOM 0 HD13 LEU A 7 24.216 -7.829 -9.360 1.00 30.33 H new ATOM 0 HD21 LEU A 7 22.244 -8.004 -11.718 1.00 70.44 H new ATOM 0 HD22 LEU A 7 23.973 -8.409 -11.843 1.00 70.44 H new ATOM 0 HD23 LEU A 7 22.742 -9.601 -12.324 1.00 70.44 H new ATOM 140 N TYR A 8 24.321 -13.607 -8.857 1.00 3.52 N ATOM 141 CA TYR A 8 25.264 -14.614 -8.385 1.00 41.12 C ATOM 142 C TYR A 8 24.530 -15.848 -7.869 1.00 1.43 C ATOM 143 O TYR A 8 23.327 -15.805 -7.613 1.00 61.24 O ATOM 144 CB TYR A 8 26.151 -14.035 -7.282 1.00 23.33 C ATOM 145 CG TYR A 8 26.954 -12.831 -7.719 1.00 50.11 C ATOM 146 CD1 TYR A 8 26.359 -11.581 -7.838 1.00 53.10 C ATOM 147 CD2 TYR A 8 28.307 -12.943 -8.014 1.00 51.24 C ATOM 148 CE1 TYR A 8 27.088 -10.478 -8.238 1.00 52.20 C ATOM 149 CE2 TYR A 8 29.044 -11.845 -8.414 1.00 1.14 C ATOM 150 CZ TYR A 8 28.430 -10.615 -8.524 1.00 41.32 C ATOM 151 OH TYR A 8 29.161 -9.519 -8.923 1.00 13.11 O ATOM 0 H TYR A 8 23.494 -13.496 -8.271 1.00 3.52 H new ATOM 0 HA TYR A 8 25.890 -14.912 -9.226 1.00 41.12 H new ATOM 0 HB2 TYR A 8 25.526 -13.756 -6.434 1.00 23.33 H new ATOM 0 HB3 TYR A 8 26.834 -14.809 -6.933 1.00 23.33 H new ATOM 0 HD1 TYR A 8 25.308 -11.470 -7.614 1.00 53.10 H new ATOM 0 HD2 TYR A 8 28.791 -13.905 -7.929 1.00 51.24 H new ATOM 0 HE1 TYR A 8 26.610 -9.514 -8.326 1.00 52.20 H new ATOM 0 HE2 TYR A 8 30.095 -11.949 -8.639 1.00 1.14 H new ATOM 0 HH TYR A 8 28.784 -8.710 -8.520 1.00 13.11 H new ATOM 161 N GLU A 9 25.265 -16.945 -7.717 1.00 72.01 N ATOM 162 CA GLU A 9 24.684 -18.191 -7.231 1.00 61.22 C ATOM 163 C GLU A 9 24.701 -18.241 -5.706 1.00 62.11 C ATOM 164 O GLU A 9 25.746 -18.457 -5.093 1.00 25.15 O ATOM 165 CB GLU A 9 25.445 -19.390 -7.800 1.00 62.42 C ATOM 166 CG GLU A 9 25.051 -20.716 -7.170 1.00 42.14 C ATOM 167 CD GLU A 9 25.406 -21.904 -8.043 1.00 31.53 C ATOM 168 OE1 GLU A 9 26.606 -22.087 -8.336 1.00 40.02 O ATOM 169 OE2 GLU A 9 24.484 -22.652 -8.432 1.00 2.42 O ATOM 0 H GLU A 9 26.263 -16.996 -7.923 1.00 72.01 H new ATOM 0 HA GLU A 9 23.648 -18.234 -7.567 1.00 61.22 H new ATOM 0 HB2 GLU A 9 25.272 -19.442 -8.875 1.00 62.42 H new ATOM 0 HB3 GLU A 9 26.514 -19.233 -7.656 1.00 62.42 H new ATOM 0 HG2 GLU A 9 25.548 -20.817 -6.205 1.00 42.14 H new ATOM 0 HG3 GLU A 9 23.978 -20.718 -6.978 1.00 42.14 H new ATOM 176 N PHE A 10 23.536 -18.039 -5.100 1.00 73.23 N ATOM 177 CA PHE A 10 23.416 -18.059 -3.647 1.00 72.41 C ATOM 178 C PHE A 10 22.716 -19.331 -3.177 1.00 25.43 C ATOM 179 O PHE A 10 21.515 -19.505 -3.381 1.00 71.43 O ATOM 180 CB PHE A 10 22.645 -16.830 -3.161 1.00 30.43 C ATOM 181 CG PHE A 10 22.470 -16.784 -1.670 1.00 34.23 C ATOM 182 CD1 PHE A 10 21.426 -17.462 -1.060 1.00 71.04 C ATOM 183 CD2 PHE A 10 23.349 -16.064 -0.877 1.00 54.44 C ATOM 184 CE1 PHE A 10 21.262 -17.420 0.311 1.00 30.43 C ATOM 185 CE2 PHE A 10 23.190 -16.019 0.495 1.00 51.31 C ATOM 186 CZ PHE A 10 22.146 -16.699 1.090 1.00 13.00 C ATOM 0 H PHE A 10 22.661 -17.859 -5.593 1.00 73.23 H new ATOM 0 HA PHE A 10 24.420 -18.040 -3.224 1.00 72.41 H new ATOM 0 HB2 PHE A 10 23.169 -15.931 -3.485 1.00 30.43 H new ATOM 0 HB3 PHE A 10 21.663 -16.816 -3.635 1.00 30.43 H new ATOM 0 HD1 PHE A 10 20.733 -18.029 -1.663 1.00 71.04 H new ATOM 0 HD2 PHE A 10 24.168 -15.531 -1.337 1.00 54.44 H new ATOM 0 HE1 PHE A 10 20.443 -17.951 0.774 1.00 30.43 H new ATOM 0 HE2 PHE A 10 23.882 -15.453 1.101 1.00 51.31 H new ATOM 0 HZ PHE A 10 22.021 -16.667 2.162 1.00 13.00 H new ATOM 196 N LYS A 11 23.478 -20.219 -2.546 1.00 13.15 N ATOM 197 CA LYS A 11 22.934 -21.475 -2.044 1.00 75.44 C ATOM 198 C LYS A 11 22.295 -21.283 -0.673 1.00 21.25 C ATOM 199 O LYS A 11 22.799 -20.526 0.156 1.00 24.45 O ATOM 200 CB LYS A 11 24.035 -22.535 -1.962 1.00 74.14 C ATOM 201 CG LYS A 11 24.546 -22.987 -3.319 1.00 60.13 C ATOM 202 CD LYS A 11 25.998 -23.429 -3.249 1.00 20.31 C ATOM 203 CE LYS A 11 26.318 -24.464 -4.317 1.00 10.01 C ATOM 204 NZ LYS A 11 25.736 -25.795 -3.991 1.00 72.43 N ATOM 0 H LYS A 11 24.475 -20.091 -2.370 1.00 13.15 H new ATOM 0 HA LYS A 11 22.165 -21.812 -2.739 1.00 75.44 H new ATOM 0 HB2 LYS A 11 24.869 -22.137 -1.383 1.00 74.14 H new ATOM 0 HB3 LYS A 11 23.655 -23.401 -1.419 1.00 74.14 H new ATOM 0 HG2 LYS A 11 23.932 -23.810 -3.685 1.00 60.13 H new ATOM 0 HG3 LYS A 11 24.447 -22.172 -4.036 1.00 60.13 H new ATOM 0 HD2 LYS A 11 26.649 -22.564 -3.373 1.00 20.31 H new ATOM 0 HD3 LYS A 11 26.205 -23.846 -2.263 1.00 20.31 H new ATOM 0 HE2 LYS A 11 25.933 -24.125 -5.279 1.00 10.01 H new ATOM 0 HE3 LYS A 11 27.399 -24.556 -4.421 1.00 10.01 H new ATOM 0 HZ1 LYS A 11 26.151 -26.517 -4.613 1.00 72.43 H new ATOM 0 HZ2 LYS A 11 25.944 -26.031 -3.000 1.00 72.43 H new ATOM 0 HZ3 LYS A 11 24.706 -25.767 -4.132 1.00 72.43 H new ATOM 218 N ALA A 12 21.184 -21.974 -0.440 1.00 20.31 N ATOM 219 CA ALA A 12 20.479 -21.882 0.833 1.00 44.03 C ATOM 220 C ALA A 12 21.281 -22.536 1.953 1.00 60.21 C ATOM 221 O ALA A 12 21.831 -23.624 1.781 1.00 13.50 O ATOM 222 CB ALA A 12 19.104 -22.523 0.722 1.00 53.40 C ATOM 0 H ALA A 12 20.753 -22.604 -1.116 1.00 20.31 H new ATOM 0 HA ALA A 12 20.357 -20.827 1.077 1.00 44.03 H new ATOM 0 HB1 ALA A 12 18.589 -22.447 1.680 1.00 53.40 H new ATOM 0 HB2 ALA A 12 18.524 -22.009 -0.044 1.00 53.40 H new ATOM 0 HB3 ALA A 12 19.213 -23.573 0.451 1.00 53.40 H new ATOM 228 N GLU A 13 21.343 -21.866 3.099 1.00 5.22 N ATOM 229 CA GLU A 13 22.080 -22.383 4.247 1.00 50.14 C ATOM 230 C GLU A 13 21.125 -22.910 5.314 1.00 51.42 C ATOM 231 O GLU A 13 21.479 -23.789 6.099 1.00 72.41 O ATOM 232 CB GLU A 13 22.974 -21.292 4.840 1.00 22.42 C ATOM 233 CG GLU A 13 22.222 -20.028 5.221 1.00 72.35 C ATOM 234 CD GLU A 13 22.895 -19.264 6.344 1.00 63.03 C ATOM 235 OE1 GLU A 13 24.137 -19.132 6.311 1.00 34.35 O ATOM 236 OE2 GLU A 13 22.180 -18.797 7.255 1.00 21.41 O ATOM 0 H GLU A 13 20.892 -20.965 3.258 1.00 5.22 H new ATOM 0 HA GLU A 13 22.705 -23.208 3.904 1.00 50.14 H new ATOM 0 HB2 GLU A 13 23.476 -21.686 5.724 1.00 22.42 H new ATOM 0 HB3 GLU A 13 23.751 -21.039 4.118 1.00 22.42 H new ATOM 0 HG2 GLU A 13 22.138 -19.382 4.347 1.00 72.35 H new ATOM 0 HG3 GLU A 13 21.208 -20.290 5.522 1.00 72.35 H new ATOM 243 N ARG A 14 19.913 -22.364 5.336 1.00 21.30 N ATOM 244 CA ARG A 14 18.907 -22.777 6.307 1.00 22.23 C ATOM 245 C ARG A 14 17.605 -23.162 5.611 1.00 22.51 C ATOM 246 O ARG A 14 17.512 -23.128 4.384 1.00 61.30 O ATOM 247 CB ARG A 14 18.647 -21.654 7.313 1.00 63.11 C ATOM 248 CG ARG A 14 19.768 -21.470 8.323 1.00 40.30 C ATOM 249 CD ARG A 14 19.625 -22.428 9.495 1.00 63.43 C ATOM 250 NE ARG A 14 20.392 -21.989 10.658 1.00 60.44 N ATOM 251 CZ ARG A 14 20.213 -22.474 11.881 1.00 11.35 C ATOM 252 NH1 ARG A 14 19.298 -23.408 12.101 1.00 63.21 N ATOM 253 NH2 ARG A 14 20.950 -22.024 12.889 1.00 51.31 N ATOM 0 H ARG A 14 19.604 -21.635 4.693 1.00 21.30 H new ATOM 0 HA ARG A 14 19.287 -23.650 6.837 1.00 22.23 H new ATOM 0 HB2 ARG A 14 18.500 -20.719 6.772 1.00 63.11 H new ATOM 0 HB3 ARG A 14 17.720 -21.863 7.846 1.00 63.11 H new ATOM 0 HG2 ARG A 14 20.729 -21.632 7.835 1.00 40.30 H new ATOM 0 HG3 ARG A 14 19.765 -20.443 8.689 1.00 40.30 H new ATOM 0 HD2 ARG A 14 18.573 -22.514 9.766 1.00 63.43 H new ATOM 0 HD3 ARG A 14 19.959 -23.421 9.194 1.00 63.43 H new ATOM 0 HE ARG A 14 21.104 -21.271 10.523 1.00 60.44 H new ATOM 0 HH11 ARG A 14 18.729 -23.756 11.329 1.00 63.21 H new ATOM 0 HH12 ARG A 14 19.163 -23.778 13.042 1.00 63.21 H new ATOM 0 HH21 ARG A 14 21.655 -21.305 12.724 1.00 51.31 H new ATOM 0 HH22 ARG A 14 20.812 -22.397 13.828 1.00 51.31 H new ATOM 267 N ASP A 15 16.603 -23.529 6.403 1.00 64.13 N ATOM 268 CA ASP A 15 15.306 -23.920 5.863 1.00 63.50 C ATOM 269 C ASP A 15 14.603 -22.729 5.222 1.00 54.45 C ATOM 270 O ASP A 15 13.773 -22.893 4.327 1.00 50.21 O ATOM 271 CB ASP A 15 14.429 -24.513 6.966 1.00 32.44 C ATOM 272 CG ASP A 15 14.818 -25.937 7.314 1.00 5.41 C ATOM 273 OD1 ASP A 15 15.506 -26.581 6.494 1.00 3.14 O ATOM 274 OD2 ASP A 15 14.436 -26.406 8.406 1.00 5.13 O ATOM 0 H ASP A 15 16.664 -23.564 7.421 1.00 64.13 H new ATOM 0 HA ASP A 15 15.472 -24.676 5.096 1.00 63.50 H new ATOM 0 HB2 ASP A 15 14.503 -23.891 7.858 1.00 32.44 H new ATOM 0 HB3 ASP A 15 13.387 -24.492 6.648 1.00 32.44 H new ATOM 279 N ASP A 16 14.939 -21.530 5.685 1.00 33.13 N ATOM 280 CA ASP A 16 14.339 -20.310 5.157 1.00 22.11 C ATOM 281 C ASP A 16 15.028 -19.882 3.865 1.00 55.31 C ATOM 282 O ASP A 16 14.368 -19.534 2.886 1.00 64.54 O ATOM 283 CB ASP A 16 14.423 -19.186 6.191 1.00 31.21 C ATOM 284 CG ASP A 16 14.241 -19.690 7.609 1.00 2.45 C ATOM 285 OD1 ASP A 16 15.183 -20.312 8.143 1.00 41.01 O ATOM 286 OD2 ASP A 16 13.157 -19.462 8.186 1.00 73.01 O ATOM 0 H ASP A 16 15.624 -21.377 6.425 1.00 33.13 H new ATOM 0 HA ASP A 16 13.291 -20.514 4.939 1.00 22.11 H new ATOM 0 HB2 ASP A 16 15.390 -18.690 6.106 1.00 31.21 H new ATOM 0 HB3 ASP A 16 13.660 -18.438 5.973 1.00 31.21 H new ATOM 291 N GLU A 17 16.357 -19.908 3.871 1.00 33.34 N ATOM 292 CA GLU A 17 17.133 -19.521 2.700 1.00 45.51 C ATOM 293 C GLU A 17 16.727 -20.343 1.481 1.00 70.52 C ATOM 294 O GLU A 17 16.169 -21.434 1.611 1.00 14.45 O ATOM 295 CB GLU A 17 18.629 -19.696 2.971 1.00 1.43 C ATOM 296 CG GLU A 17 19.140 -18.855 4.129 1.00 1.41 C ATOM 297 CD GLU A 17 18.606 -17.436 4.100 1.00 13.11 C ATOM 298 OE1 GLU A 17 19.067 -16.645 3.251 1.00 2.35 O ATOM 299 OE2 GLU A 17 17.725 -17.117 4.927 1.00 62.24 O ATOM 0 H GLU A 17 16.918 -20.193 4.674 1.00 33.34 H new ATOM 0 HA GLU A 17 16.929 -18.471 2.492 1.00 45.51 H new ATOM 0 HB2 GLU A 17 18.832 -20.747 3.179 1.00 1.43 H new ATOM 0 HB3 GLU A 17 19.186 -19.436 2.071 1.00 1.43 H new ATOM 0 HG2 GLU A 17 18.855 -19.327 5.069 1.00 1.41 H new ATOM 0 HG3 GLU A 17 20.229 -18.830 4.102 1.00 1.41 H new ATOM 306 N LEU A 18 17.010 -19.814 0.296 1.00 43.11 N ATOM 307 CA LEU A 18 16.674 -20.498 -0.948 1.00 23.10 C ATOM 308 C LEU A 18 17.852 -20.476 -1.917 1.00 0.10 C ATOM 309 O LEU A 18 18.614 -19.510 -1.961 1.00 41.03 O ATOM 310 CB LEU A 18 15.452 -19.846 -1.598 1.00 23.35 C ATOM 311 CG LEU A 18 14.875 -20.567 -2.816 1.00 65.24 C ATOM 312 CD1 LEU A 18 13.710 -21.456 -2.409 1.00 44.22 C ATOM 313 CD2 LEU A 18 14.439 -19.563 -3.873 1.00 13.22 C ATOM 0 H LEU A 18 17.472 -18.913 0.170 1.00 43.11 H new ATOM 0 HA LEU A 18 16.441 -21.536 -0.711 1.00 23.10 H new ATOM 0 HB2 LEU A 18 14.668 -19.761 -0.846 1.00 23.35 H new ATOM 0 HB3 LEU A 18 15.721 -18.832 -1.895 1.00 23.35 H new ATOM 0 HG LEU A 18 15.654 -21.198 -3.243 1.00 65.24 H new ATOM 0 HD11 LEU A 18 13.313 -21.961 -3.290 1.00 44.22 H new ATOM 0 HD12 LEU A 18 14.053 -22.199 -1.689 1.00 44.22 H new ATOM 0 HD13 LEU A 18 12.928 -20.846 -1.956 1.00 44.22 H new ATOM 0 HD21 LEU A 18 14.031 -20.094 -4.733 1.00 13.22 H new ATOM 0 HD22 LEU A 18 13.676 -18.905 -3.457 1.00 13.22 H new ATOM 0 HD23 LEU A 18 15.298 -18.970 -4.187 1.00 13.22 H new ATOM 325 N ASP A 19 17.993 -21.545 -2.693 1.00 4.04 N ATOM 326 CA ASP A 19 19.076 -21.647 -3.664 1.00 23.20 C ATOM 327 C ASP A 19 18.719 -20.918 -4.955 1.00 74.13 C ATOM 328 O ASP A 19 17.637 -21.111 -5.510 1.00 53.12 O ATOM 329 CB ASP A 19 19.386 -23.115 -3.961 1.00 64.04 C ATOM 330 CG ASP A 19 18.145 -23.908 -4.321 1.00 41.40 C ATOM 331 OD1 ASP A 19 17.286 -24.100 -3.435 1.00 1.01 O ATOM 332 OD2 ASP A 19 18.032 -24.335 -5.489 1.00 2.12 O ATOM 0 H ASP A 19 17.371 -22.353 -2.669 1.00 4.04 H new ATOM 0 HA ASP A 19 19.961 -21.176 -3.236 1.00 23.20 H new ATOM 0 HB2 ASP A 19 20.101 -23.173 -4.781 1.00 64.04 H new ATOM 0 HB3 ASP A 19 19.862 -23.566 -3.090 1.00 64.04 H new ATOM 337 N VAL A 20 19.634 -20.079 -5.428 1.00 44.24 N ATOM 338 CA VAL A 20 19.416 -19.321 -6.654 1.00 51.54 C ATOM 339 C VAL A 20 20.687 -19.256 -7.494 1.00 54.43 C ATOM 340 O VAL A 20 21.791 -19.443 -6.984 1.00 12.35 O ATOM 341 CB VAL A 20 18.941 -17.887 -6.351 1.00 33.24 C ATOM 342 CG1 VAL A 20 17.424 -17.840 -6.239 1.00 44.42 C ATOM 343 CG2 VAL A 20 19.594 -17.368 -5.078 1.00 75.34 C ATOM 0 H VAL A 20 20.534 -19.907 -4.980 1.00 44.24 H new ATOM 0 HA VAL A 20 18.640 -19.843 -7.214 1.00 51.54 H new ATOM 0 HB VAL A 20 19.241 -17.241 -7.176 1.00 33.24 H new ATOM 0 HG11 VAL A 20 17.106 -16.820 -6.025 1.00 44.42 H new ATOM 0 HG12 VAL A 20 16.979 -18.169 -7.178 1.00 44.42 H new ATOM 0 HG13 VAL A 20 17.098 -18.498 -5.434 1.00 44.42 H new ATOM 0 HG21 VAL A 20 19.248 -16.354 -4.879 1.00 75.34 H new ATOM 0 HG22 VAL A 20 19.326 -18.014 -4.242 1.00 75.34 H new ATOM 0 HG23 VAL A 20 20.677 -17.364 -5.200 1.00 75.34 H new ATOM 353 N SER A 21 20.523 -18.989 -8.786 1.00 55.30 N ATOM 354 CA SER A 21 21.657 -18.902 -9.699 1.00 35.23 C ATOM 355 C SER A 21 21.660 -17.567 -10.436 1.00 54.51 C ATOM 356 O SER A 21 20.639 -16.886 -10.546 1.00 22.44 O ATOM 357 CB SER A 21 21.617 -20.053 -10.706 1.00 30.45 C ATOM 358 OG SER A 21 22.252 -21.208 -10.185 1.00 35.43 O ATOM 0 H SER A 21 19.616 -18.829 -9.224 1.00 55.30 H new ATOM 0 HA SER A 21 22.572 -18.974 -9.111 1.00 35.23 H new ATOM 0 HB2 SER A 21 20.582 -20.285 -10.957 1.00 30.45 H new ATOM 0 HB3 SER A 21 22.109 -19.749 -11.630 1.00 30.45 H new ATOM 0 HG SER A 21 22.212 -21.930 -10.847 1.00 35.43 H new ATOM 364 N PRO A 22 22.835 -17.181 -10.955 1.00 11.34 N ATOM 365 CA PRO A 22 23.001 -15.924 -11.691 1.00 72.22 C ATOM 366 C PRO A 22 22.300 -15.949 -13.045 1.00 62.34 C ATOM 367 O PRO A 22 22.636 -16.753 -13.914 1.00 34.41 O ATOM 368 CB PRO A 22 24.517 -15.818 -11.875 1.00 72.53 C ATOM 369 CG PRO A 22 25.004 -17.225 -11.819 1.00 62.14 C ATOM 370 CD PRO A 22 24.092 -17.942 -10.862 1.00 42.42 C ATOM 0 HA PRO A 22 22.563 -15.079 -11.160 1.00 72.22 H new ATOM 0 HB2 PRO A 22 24.769 -15.349 -12.826 1.00 72.53 H new ATOM 0 HB3 PRO A 22 24.970 -15.211 -11.091 1.00 72.53 H new ATOM 0 HG2 PRO A 22 24.975 -17.687 -12.806 1.00 62.14 H new ATOM 0 HG3 PRO A 22 26.038 -17.267 -11.477 1.00 62.14 H new ATOM 0 HD2 PRO A 22 23.952 -18.985 -11.145 1.00 42.42 H new ATOM 0 HD3 PRO A 22 24.490 -17.938 -9.847 1.00 42.42 H new ATOM 378 N GLY A 23 21.325 -15.062 -13.219 1.00 32.33 N ATOM 379 CA GLY A 23 20.593 -15.000 -14.470 1.00 53.11 C ATOM 380 C GLY A 23 19.192 -15.567 -14.351 1.00 51.32 C ATOM 381 O GLY A 23 18.487 -15.710 -15.350 1.00 1.23 O ATOM 0 H GLY A 23 21.029 -14.385 -12.516 1.00 32.33 H new ATOM 0 HA2 GLY A 23 20.535 -13.964 -14.802 1.00 53.11 H new ATOM 0 HA3 GLY A 23 21.140 -15.550 -15.235 1.00 53.11 H new ATOM 385 N GLU A 24 18.788 -15.892 -13.127 1.00 5.31 N ATOM 386 CA GLU A 24 17.463 -16.449 -12.883 1.00 2.33 C ATOM 387 C GLU A 24 16.460 -15.345 -12.561 1.00 11.11 C ATOM 388 O GLU A 24 16.829 -14.281 -12.066 1.00 44.12 O ATOM 389 CB GLU A 24 17.514 -17.458 -11.734 1.00 34.02 C ATOM 390 CG GLU A 24 18.124 -18.794 -12.123 1.00 42.34 C ATOM 391 CD GLU A 24 17.113 -19.739 -12.743 1.00 42.21 C ATOM 392 OE1 GLU A 24 15.968 -19.306 -12.988 1.00 32.04 O ATOM 393 OE2 GLU A 24 17.468 -20.912 -12.984 1.00 4.22 O ATOM 0 H GLU A 24 19.359 -15.779 -12.289 1.00 5.31 H new ATOM 0 HA GLU A 24 17.138 -16.958 -13.790 1.00 2.33 H new ATOM 0 HB2 GLU A 24 18.089 -17.031 -10.912 1.00 34.02 H new ATOM 0 HB3 GLU A 24 16.503 -17.624 -11.363 1.00 34.02 H new ATOM 0 HG2 GLU A 24 18.938 -18.626 -12.828 1.00 42.34 H new ATOM 0 HG3 GLU A 24 18.559 -19.262 -11.240 1.00 42.34 H new ATOM 400 N ASN A 25 15.189 -15.607 -12.846 1.00 74.25 N ATOM 401 CA ASN A 25 14.131 -14.636 -12.589 1.00 24.21 C ATOM 402 C ASN A 25 13.476 -14.892 -11.235 1.00 75.44 C ATOM 403 O ASN A 25 12.969 -15.985 -10.975 1.00 54.54 O ATOM 404 CB ASN A 25 13.078 -14.692 -13.697 1.00 41.12 C ATOM 405 CG ASN A 25 13.683 -14.526 -15.078 1.00 55.31 C ATOM 406 OD1 ASN A 25 14.389 -15.406 -15.569 1.00 24.24 O ATOM 407 ND2 ASN A 25 13.406 -13.392 -15.712 1.00 5.10 N ATOM 0 H ASN A 25 14.866 -16.484 -13.255 1.00 74.25 H new ATOM 0 HA ASN A 25 14.579 -13.643 -12.574 1.00 24.21 H new ATOM 0 HB2 ASN A 25 12.551 -15.645 -13.646 1.00 41.12 H new ATOM 0 HB3 ASN A 25 12.338 -13.909 -13.531 1.00 41.12 H new ATOM 0 HD21 ASN A 25 13.784 -13.224 -16.644 1.00 5.10 H new ATOM 0 HD22 ASN A 25 12.816 -12.690 -15.266 1.00 5.10 H new ATOM 414 N LEU A 26 13.488 -13.879 -10.377 1.00 4.22 N ATOM 415 CA LEU A 26 12.894 -13.993 -9.049 1.00 42.14 C ATOM 416 C LEU A 26 11.849 -12.905 -8.825 1.00 41.21 C ATOM 417 O LEU A 26 11.957 -11.805 -9.367 1.00 63.14 O ATOM 418 CB LEU A 26 13.979 -13.904 -7.974 1.00 53.33 C ATOM 419 CG LEU A 26 14.670 -15.217 -7.608 1.00 23.32 C ATOM 420 CD1 LEU A 26 15.148 -15.937 -8.860 1.00 14.42 C ATOM 421 CD2 LEU A 26 15.834 -14.961 -6.661 1.00 71.32 C ATOM 0 H LEU A 26 13.903 -12.969 -10.576 1.00 4.22 H new ATOM 0 HA LEU A 26 12.402 -14.963 -8.980 1.00 42.14 H new ATOM 0 HB2 LEU A 26 14.739 -13.198 -8.310 1.00 53.33 H new ATOM 0 HB3 LEU A 26 13.534 -13.487 -7.071 1.00 53.33 H new ATOM 0 HG LEU A 26 13.947 -15.856 -7.100 1.00 23.32 H new ATOM 0 HD11 LEU A 26 15.637 -16.870 -8.579 1.00 14.42 H new ATOM 0 HD12 LEU A 26 14.295 -16.154 -9.503 1.00 14.42 H new ATOM 0 HD13 LEU A 26 15.855 -15.304 -9.396 1.00 14.42 H new ATOM 0 HD21 LEU A 26 16.314 -15.907 -6.411 1.00 71.32 H new ATOM 0 HD22 LEU A 26 16.557 -14.303 -7.143 1.00 71.32 H new ATOM 0 HD23 LEU A 26 15.465 -14.490 -5.750 1.00 71.32 H new ATOM 433 N SER A 27 10.838 -13.219 -8.021 1.00 5.11 N ATOM 434 CA SER A 27 9.773 -12.268 -7.726 1.00 34.53 C ATOM 435 C SER A 27 9.971 -11.639 -6.350 1.00 63.41 C ATOM 436 O SER A 27 10.070 -12.341 -5.343 1.00 60.31 O ATOM 437 CB SER A 27 8.410 -12.961 -7.790 1.00 62.53 C ATOM 438 OG SER A 27 7.454 -12.146 -8.444 1.00 53.15 O ATOM 0 H SER A 27 10.734 -14.124 -7.563 1.00 5.11 H new ATOM 0 HA SER A 27 9.808 -11.478 -8.476 1.00 34.53 H new ATOM 0 HB2 SER A 27 8.505 -13.910 -8.318 1.00 62.53 H new ATOM 0 HB3 SER A 27 8.067 -13.190 -6.781 1.00 62.53 H new ATOM 0 HG SER A 27 7.658 -12.107 -9.402 1.00 53.15 H new ATOM 444 N ILE A 28 10.029 -10.312 -6.316 1.00 72.41 N ATOM 445 CA ILE A 28 10.215 -9.588 -5.065 1.00 35.11 C ATOM 446 C ILE A 28 8.934 -9.585 -4.237 1.00 2.54 C ATOM 447 O ILE A 28 7.831 -9.525 -4.781 1.00 31.13 O ATOM 448 CB ILE A 28 10.654 -8.134 -5.316 1.00 51.53 C ATOM 449 CG1 ILE A 28 11.979 -8.103 -6.081 1.00 0.12 C ATOM 450 CG2 ILE A 28 10.779 -7.383 -3.999 1.00 53.30 C ATOM 451 CD1 ILE A 28 13.153 -8.612 -5.275 1.00 5.13 C ATOM 0 H ILE A 28 9.950 -9.717 -7.140 1.00 72.41 H new ATOM 0 HA ILE A 28 11.000 -10.106 -4.514 1.00 35.11 H new ATOM 0 HB ILE A 28 9.894 -7.641 -5.922 1.00 51.53 H new ATOM 0 HG12 ILE A 28 11.881 -8.704 -6.985 1.00 0.12 H new ATOM 0 HG13 ILE A 28 12.182 -7.080 -6.398 1.00 0.12 H new ATOM 0 HG21 ILE A 28 11.090 -6.357 -4.194 1.00 53.30 H new ATOM 0 HG22 ILE A 28 9.816 -7.380 -3.489 1.00 53.30 H new ATOM 0 HG23 ILE A 28 11.521 -7.874 -3.369 1.00 53.30 H new ATOM 0 HD11 ILE A 28 14.059 -8.561 -5.879 1.00 5.13 H new ATOM 0 HD12 ILE A 28 13.277 -7.997 -4.384 1.00 5.13 H new ATOM 0 HD13 ILE A 28 12.971 -9.645 -4.980 1.00 5.13 H new ATOM 463 N CYS A 29 9.089 -9.647 -2.919 1.00 12.22 N ATOM 464 CA CYS A 29 7.945 -9.650 -2.014 1.00 13.30 C ATOM 465 C CYS A 29 8.057 -8.523 -0.992 1.00 54.23 C ATOM 466 O CYS A 29 7.054 -7.931 -0.594 1.00 50.32 O ATOM 467 CB CYS A 29 7.839 -10.996 -1.297 1.00 32.24 C ATOM 468 SG CYS A 29 7.809 -12.423 -2.406 1.00 64.53 S ATOM 0 H CYS A 29 9.995 -9.696 -2.453 1.00 12.22 H new ATOM 0 HA CYS A 29 7.044 -9.490 -2.607 1.00 13.30 H new ATOM 0 HB2 CYS A 29 8.682 -11.099 -0.613 1.00 32.24 H new ATOM 0 HB3 CYS A 29 6.934 -11.002 -0.690 1.00 32.24 H new ATOM 0 HG CYS A 29 7.720 -13.515 -1.706 1.00 64.53 H new ATOM 474 N ALA A 30 9.283 -8.233 -0.571 1.00 22.13 N ATOM 475 CA ALA A 30 9.526 -7.177 0.404 1.00 23.34 C ATOM 476 C ALA A 30 11.020 -6.983 0.642 1.00 30.25 C ATOM 477 O ALA A 30 11.842 -7.765 0.163 1.00 0.13 O ATOM 478 CB ALA A 30 8.818 -7.494 1.713 1.00 21.42 C ATOM 0 H ALA A 30 10.124 -8.714 -0.890 1.00 22.13 H new ATOM 0 HA ALA A 30 9.125 -6.246 0.003 1.00 23.34 H new ATOM 0 HB1 ALA A 30 9.008 -6.697 2.432 1.00 21.42 H new ATOM 0 HB2 ALA A 30 7.745 -7.575 1.536 1.00 21.42 H new ATOM 0 HB3 ALA A 30 9.192 -8.438 2.110 1.00 21.42 H new ATOM 484 N HIS A 31 11.365 -5.936 1.385 1.00 41.12 N ATOM 485 CA HIS A 31 12.761 -5.639 1.686 1.00 30.12 C ATOM 486 C HIS A 31 12.982 -5.536 3.192 1.00 33.54 C ATOM 487 O HIS A 31 12.031 -5.577 3.973 1.00 34.33 O ATOM 488 CB HIS A 31 13.186 -4.337 1.007 1.00 53.11 C ATOM 489 CG HIS A 31 12.643 -3.110 1.672 1.00 3.44 C ATOM 490 ND1 HIS A 31 13.439 -2.057 2.073 1.00 32.14 N ATOM 491 CD2 HIS A 31 11.376 -2.770 2.005 1.00 1.41 C ATOM 492 CE1 HIS A 31 12.685 -1.124 2.626 1.00 55.44 C ATOM 493 NE2 HIS A 31 11.429 -1.531 2.596 1.00 35.21 N ATOM 0 H HIS A 31 10.697 -5.279 1.789 1.00 41.12 H new ATOM 0 HA HIS A 31 13.371 -6.456 1.302 1.00 30.12 H new ATOM 0 HB2 HIS A 31 14.275 -4.282 0.994 1.00 53.11 H new ATOM 0 HB3 HIS A 31 12.856 -4.354 -0.032 1.00 53.11 H new ATOM 0 HD2 HIS A 31 10.489 -3.362 1.837 1.00 1.41 H new ATOM 0 HE1 HIS A 31 13.036 -0.187 3.033 1.00 55.44 H new ATOM 0 HE2 HIS A 31 10.628 -1.010 2.954 1.00 35.21 H new ATOM 501 N TYR A 32 14.241 -5.404 3.593 1.00 21.01 N ATOM 502 CA TYR A 32 14.587 -5.299 5.006 1.00 52.13 C ATOM 503 C TYR A 32 15.610 -4.191 5.235 1.00 10.22 C ATOM 504 O TYR A 32 16.807 -4.382 5.021 1.00 42.31 O ATOM 505 CB TYR A 32 15.137 -6.631 5.518 1.00 3.11 C ATOM 506 CG TYR A 32 15.213 -6.715 7.026 1.00 43.12 C ATOM 507 CD1 TYR A 32 14.067 -6.891 7.790 1.00 14.13 C ATOM 508 CD2 TYR A 32 16.432 -6.619 7.686 1.00 63.22 C ATOM 509 CE1 TYR A 32 14.131 -6.967 9.168 1.00 24.30 C ATOM 510 CE2 TYR A 32 16.507 -6.696 9.063 1.00 32.12 C ATOM 511 CZ TYR A 32 15.354 -6.870 9.800 1.00 53.42 C ATOM 512 OH TYR A 32 15.423 -6.947 11.172 1.00 54.20 O ATOM 0 H TYR A 32 15.040 -5.367 2.960 1.00 21.01 H new ATOM 0 HA TYR A 32 13.681 -5.052 5.559 1.00 52.13 H new ATOM 0 HB2 TYR A 32 14.507 -7.441 5.149 1.00 3.11 H new ATOM 0 HB3 TYR A 32 16.133 -6.787 5.103 1.00 3.11 H new ATOM 0 HD1 TYR A 32 13.109 -6.970 7.298 1.00 14.13 H new ATOM 0 HD2 TYR A 32 17.337 -6.482 7.112 1.00 63.22 H new ATOM 0 HE1 TYR A 32 13.229 -7.102 9.747 1.00 24.30 H new ATOM 0 HE2 TYR A 32 17.463 -6.620 9.560 1.00 32.12 H new ATOM 0 HH TYR A 32 16.357 -6.862 11.458 1.00 54.20 H new ATOM 522 N ASP A 33 15.129 -3.032 5.673 1.00 22.41 N ATOM 523 CA ASP A 33 16.001 -1.893 5.934 1.00 13.42 C ATOM 524 C ASP A 33 16.855 -1.571 4.712 1.00 1.31 C ATOM 525 O ASP A 33 17.947 -1.016 4.835 1.00 43.45 O ATOM 526 CB ASP A 33 16.899 -2.176 7.140 1.00 54.44 C ATOM 527 CG ASP A 33 17.643 -0.941 7.609 1.00 30.24 C ATOM 528 OD1 ASP A 33 17.168 0.180 7.332 1.00 41.14 O ATOM 529 OD2 ASP A 33 18.700 -1.097 8.256 1.00 51.52 O ATOM 0 H ASP A 33 14.141 -2.857 5.855 1.00 22.41 H new ATOM 0 HA ASP A 33 15.373 -1.029 6.154 1.00 13.42 H new ATOM 0 HB2 ASP A 33 16.292 -2.564 7.958 1.00 54.44 H new ATOM 0 HB3 ASP A 33 17.618 -2.953 6.880 1.00 54.44 H new ATOM 534 N TYR A 34 16.351 -1.924 3.535 1.00 42.41 N ATOM 535 CA TYR A 34 17.070 -1.676 2.291 1.00 53.44 C ATOM 536 C TYR A 34 18.388 -2.443 2.261 1.00 40.15 C ATOM 537 O TYR A 34 19.345 -2.027 1.609 1.00 63.23 O ATOM 538 CB TYR A 34 17.334 -0.179 2.119 1.00 10.35 C ATOM 539 CG TYR A 34 16.093 0.674 2.253 1.00 52.40 C ATOM 540 CD1 TYR A 34 15.647 1.098 3.499 1.00 64.10 C ATOM 541 CD2 TYR A 34 15.366 1.058 1.132 1.00 31.25 C ATOM 542 CE1 TYR A 34 14.514 1.877 3.625 1.00 34.35 C ATOM 543 CE2 TYR A 34 14.232 1.838 1.249 1.00 33.14 C ATOM 544 CZ TYR A 34 13.809 2.244 2.498 1.00 43.31 C ATOM 545 OH TYR A 34 12.680 3.021 2.620 1.00 41.34 O ATOM 0 H TYR A 34 15.448 -2.383 3.416 1.00 42.41 H new ATOM 0 HA TYR A 34 16.448 -2.025 1.467 1.00 53.44 H new ATOM 0 HB2 TYR A 34 18.066 0.140 2.861 1.00 10.35 H new ATOM 0 HB3 TYR A 34 17.779 -0.007 1.139 1.00 10.35 H new ATOM 0 HD1 TYR A 34 16.196 0.813 4.384 1.00 64.10 H new ATOM 0 HD2 TYR A 34 15.693 0.741 0.153 1.00 31.25 H new ATOM 0 HE1 TYR A 34 14.182 2.197 4.601 1.00 34.35 H new ATOM 0 HE2 TYR A 34 13.679 2.128 0.368 1.00 33.14 H new ATOM 0 HH TYR A 34 12.302 3.191 1.732 1.00 41.34 H new ATOM 555 N GLU A 35 18.428 -3.566 2.971 1.00 40.21 N ATOM 556 CA GLU A 35 19.628 -4.392 3.026 1.00 5.20 C ATOM 557 C GLU A 35 19.370 -5.768 2.419 1.00 45.22 C ATOM 558 O GLU A 35 20.148 -6.250 1.596 1.00 65.32 O ATOM 559 CB GLU A 35 20.105 -4.542 4.472 1.00 4.42 C ATOM 560 CG GLU A 35 19.927 -3.283 5.305 1.00 24.42 C ATOM 561 CD GLU A 35 20.692 -2.100 4.745 1.00 5.13 C ATOM 562 OE1 GLU A 35 21.477 -2.298 3.794 1.00 51.12 O ATOM 563 OE2 GLU A 35 20.507 -0.977 5.258 1.00 3.41 O ATOM 0 H GLU A 35 17.644 -3.924 3.516 1.00 40.21 H new ATOM 0 HA GLU A 35 20.405 -3.897 2.444 1.00 5.20 H new ATOM 0 HB2 GLU A 35 19.559 -5.359 4.943 1.00 4.42 H new ATOM 0 HB3 GLU A 35 21.159 -4.821 4.471 1.00 4.42 H new ATOM 0 HG2 GLU A 35 18.867 -3.034 5.358 1.00 24.42 H new ATOM 0 HG3 GLU A 35 20.260 -3.476 6.325 1.00 24.42 H new ATOM 570 N TRP A 36 18.274 -6.393 2.831 1.00 22.54 N ATOM 571 CA TRP A 36 17.913 -7.714 2.329 1.00 24.40 C ATOM 572 C TRP A 36 16.627 -7.654 1.513 1.00 41.32 C ATOM 573 O TRP A 36 15.728 -6.867 1.810 1.00 2.24 O ATOM 574 CB TRP A 36 17.750 -8.697 3.490 1.00 53.12 C ATOM 575 CG TRP A 36 18.965 -8.795 4.361 1.00 64.22 C ATOM 576 CD1 TRP A 36 19.272 -8.006 5.432 1.00 11.14 C ATOM 577 CD2 TRP A 36 20.038 -9.735 4.233 1.00 73.24 C ATOM 578 NE1 TRP A 36 20.470 -8.399 5.978 1.00 3.31 N ATOM 579 CE2 TRP A 36 20.960 -9.458 5.261 1.00 72.11 C ATOM 580 CE3 TRP A 36 20.308 -10.785 3.351 1.00 73.21 C ATOM 581 CZ2 TRP A 36 22.131 -10.193 5.428 1.00 14.32 C ATOM 582 CZ3 TRP A 36 21.470 -11.513 3.518 1.00 23.12 C ATOM 583 CH2 TRP A 36 22.370 -11.215 4.550 1.00 13.05 C ATOM 0 H TRP A 36 17.619 -6.007 3.511 1.00 22.54 H new ATOM 0 HA TRP A 36 18.717 -8.060 1.680 1.00 24.40 H new ATOM 0 HB2 TRP A 36 16.899 -8.391 4.099 1.00 53.12 H new ATOM 0 HB3 TRP A 36 17.518 -9.684 3.091 1.00 53.12 H new ATOM 0 HD1 TRP A 36 18.663 -7.192 5.797 1.00 11.14 H new ATOM 0 HE1 TRP A 36 20.921 -7.971 6.787 1.00 3.31 H new ATOM 0 HE3 TRP A 36 19.620 -11.023 2.553 1.00 73.21 H new ATOM 0 HZ2 TRP A 36 22.826 -9.964 6.222 1.00 14.32 H new ATOM 0 HZ3 TRP A 36 21.689 -12.326 2.841 1.00 23.12 H new ATOM 0 HH2 TRP A 36 23.270 -11.803 4.654 1.00 13.05 H new ATOM 594 N PHE A 37 16.545 -8.489 0.483 1.00 70.23 N ATOM 595 CA PHE A 37 15.368 -8.529 -0.377 1.00 72.51 C ATOM 596 C PHE A 37 14.740 -9.920 -0.376 1.00 25.55 C ATOM 597 O PHE A 37 15.445 -10.930 -0.399 1.00 33.42 O ATOM 598 CB PHE A 37 15.739 -8.127 -1.806 1.00 5.13 C ATOM 599 CG PHE A 37 15.220 -6.774 -2.202 1.00 21.33 C ATOM 600 CD1 PHE A 37 13.883 -6.454 -2.031 1.00 72.13 C ATOM 601 CD2 PHE A 37 16.069 -5.823 -2.744 1.00 21.02 C ATOM 602 CE1 PHE A 37 13.402 -5.211 -2.396 1.00 3.54 C ATOM 603 CE2 PHE A 37 15.594 -4.577 -3.110 1.00 23.54 C ATOM 604 CZ PHE A 37 14.259 -4.271 -2.934 1.00 42.33 C ATOM 0 H PHE A 37 17.280 -9.147 0.223 1.00 70.23 H new ATOM 0 HA PHE A 37 14.639 -7.820 0.015 1.00 72.51 H new ATOM 0 HB2 PHE A 37 16.824 -8.135 -1.907 1.00 5.13 H new ATOM 0 HB3 PHE A 37 15.349 -8.874 -2.498 1.00 5.13 H new ATOM 0 HD1 PHE A 37 13.209 -7.184 -1.608 1.00 72.13 H new ATOM 0 HD2 PHE A 37 17.114 -6.057 -2.882 1.00 21.02 H new ATOM 0 HE1 PHE A 37 12.357 -4.975 -2.261 1.00 3.54 H new ATOM 0 HE2 PHE A 37 16.266 -3.845 -3.533 1.00 23.54 H new ATOM 0 HZ PHE A 37 13.886 -3.298 -3.217 1.00 42.33 H new ATOM 614 N ILE A 38 13.413 -9.964 -0.347 1.00 72.04 N ATOM 615 CA ILE A 38 12.690 -11.230 -0.343 1.00 65.12 C ATOM 616 C ILE A 38 12.278 -11.632 -1.755 1.00 60.31 C ATOM 617 O ILE A 38 11.240 -11.201 -2.256 1.00 33.52 O ATOM 618 CB ILE A 38 11.435 -11.159 0.546 1.00 52.13 C ATOM 619 CG1 ILE A 38 11.775 -10.528 1.898 1.00 64.44 C ATOM 620 CG2 ILE A 38 10.842 -12.547 0.737 1.00 53.23 C ATOM 621 CD1 ILE A 38 12.868 -11.258 2.646 1.00 23.35 C ATOM 0 H ILE A 38 12.816 -9.137 -0.326 1.00 72.04 H new ATOM 0 HA ILE A 38 13.369 -11.980 0.062 1.00 65.12 H new ATOM 0 HB ILE A 38 10.693 -10.533 0.051 1.00 52.13 H new ATOM 0 HG12 ILE A 38 12.081 -9.494 1.741 1.00 64.44 H new ATOM 0 HG13 ILE A 38 10.877 -10.504 2.515 1.00 64.44 H new ATOM 0 HG21 ILE A 38 9.955 -12.480 1.368 1.00 53.23 H new ATOM 0 HG22 ILE A 38 10.567 -12.962 -0.233 1.00 53.23 H new ATOM 0 HG23 ILE A 38 11.578 -13.195 1.213 1.00 53.23 H new ATOM 0 HD11 ILE A 38 13.057 -10.756 3.595 1.00 23.35 H new ATOM 0 HD12 ILE A 38 12.556 -12.285 2.835 1.00 23.35 H new ATOM 0 HD13 ILE A 38 13.780 -11.259 2.048 1.00 23.35 H new ATOM 633 N ALA A 39 13.098 -12.462 -2.391 1.00 60.43 N ATOM 634 CA ALA A 39 12.817 -12.926 -3.744 1.00 73.42 C ATOM 635 C ALA A 39 12.392 -14.391 -3.745 1.00 65.11 C ATOM 636 O ALA A 39 12.881 -15.190 -2.946 1.00 60.53 O ATOM 637 CB ALA A 39 14.034 -12.727 -4.634 1.00 64.04 C ATOM 0 H ALA A 39 13.962 -12.827 -1.991 1.00 60.43 H new ATOM 0 HA ALA A 39 11.991 -12.335 -4.140 1.00 73.42 H new ATOM 0 HB1 ALA A 39 13.809 -13.078 -5.641 1.00 64.04 H new ATOM 0 HB2 ALA A 39 14.291 -11.668 -4.668 1.00 64.04 H new ATOM 0 HB3 ALA A 39 14.875 -13.292 -4.232 1.00 64.04 H new ATOM 643 N LYS A 40 11.480 -14.737 -4.646 1.00 75.23 N ATOM 644 CA LYS A 40 10.989 -16.106 -4.752 1.00 71.14 C ATOM 645 C LYS A 40 11.197 -16.651 -6.162 1.00 11.02 C ATOM 646 O LYS A 40 11.305 -15.902 -7.133 1.00 63.11 O ATOM 647 CB LYS A 40 9.505 -16.168 -4.384 1.00 52.22 C ATOM 648 CG LYS A 40 8.675 -15.063 -5.015 1.00 3.44 C ATOM 649 CD LYS A 40 7.227 -15.486 -5.194 1.00 11.41 C ATOM 650 CE LYS A 40 6.415 -15.241 -3.931 1.00 74.34 C ATOM 651 NZ LYS A 40 5.492 -14.082 -4.081 1.00 73.31 N ATOM 0 H LYS A 40 11.065 -14.088 -5.314 1.00 75.23 H new ATOM 0 HA LYS A 40 11.556 -16.723 -4.055 1.00 71.14 H new ATOM 0 HB2 LYS A 40 9.103 -17.133 -4.691 1.00 52.22 H new ATOM 0 HB3 LYS A 40 9.405 -16.112 -3.300 1.00 52.22 H new ATOM 0 HG2 LYS A 40 8.720 -14.171 -4.390 1.00 3.44 H new ATOM 0 HG3 LYS A 40 9.099 -14.796 -5.983 1.00 3.44 H new ATOM 0 HD2 LYS A 40 6.786 -14.935 -6.024 1.00 11.41 H new ATOM 0 HD3 LYS A 40 7.185 -16.543 -5.455 1.00 11.41 H new ATOM 0 HE2 LYS A 40 5.839 -16.135 -3.690 1.00 74.34 H new ATOM 0 HE3 LYS A 40 7.090 -15.062 -3.094 1.00 74.34 H new ATOM 0 HZ1 LYS A 40 4.582 -14.302 -3.628 1.00 73.31 H new ATOM 0 HZ2 LYS A 40 5.910 -13.244 -3.629 1.00 73.31 H new ATOM 0 HZ3 LYS A 40 5.338 -13.889 -5.091 1.00 73.31 H new ATOM 665 N PRO A 41 11.253 -17.986 -6.279 1.00 31.01 N ATOM 666 CA PRO A 41 11.446 -18.660 -7.566 1.00 60.40 C ATOM 667 C PRO A 41 10.229 -18.534 -8.475 1.00 55.43 C ATOM 668 O PRO A 41 9.112 -18.877 -8.085 1.00 23.11 O ATOM 669 CB PRO A 41 11.668 -20.122 -7.171 1.00 22.44 C ATOM 670 CG PRO A 41 10.984 -20.267 -5.855 1.00 63.21 C ATOM 671 CD PRO A 41 11.131 -18.940 -5.164 1.00 3.13 C ATOM 0 HA PRO A 41 12.270 -18.227 -8.133 1.00 60.40 H new ATOM 0 HB2 PRO A 41 11.247 -20.801 -7.913 1.00 22.44 H new ATOM 0 HB3 PRO A 41 12.730 -20.354 -7.093 1.00 22.44 H new ATOM 0 HG2 PRO A 41 9.933 -20.524 -5.988 1.00 63.21 H new ATOM 0 HG3 PRO A 41 11.435 -21.066 -5.266 1.00 63.21 H new ATOM 0 HD2 PRO A 41 10.268 -18.716 -4.536 1.00 3.13 H new ATOM 0 HD3 PRO A 41 12.009 -18.918 -4.519 1.00 3.13 H new ATOM 679 N ILE A 42 10.451 -18.039 -9.688 1.00 71.45 N ATOM 680 CA ILE A 42 9.371 -17.869 -10.653 1.00 65.31 C ATOM 681 C ILE A 42 9.097 -19.167 -11.406 1.00 4.12 C ATOM 682 O ILE A 42 7.953 -19.477 -11.733 1.00 14.44 O ATOM 683 CB ILE A 42 9.694 -16.758 -11.669 1.00 45.13 C ATOM 684 CG1 ILE A 42 9.985 -15.442 -10.944 1.00 61.40 C ATOM 685 CG2 ILE A 42 8.544 -16.586 -12.649 1.00 53.34 C ATOM 686 CD1 ILE A 42 10.334 -14.303 -11.876 1.00 12.02 C ATOM 0 H ILE A 42 11.369 -17.749 -10.026 1.00 71.45 H new ATOM 0 HA ILE A 42 8.484 -17.586 -10.087 1.00 65.31 H new ATOM 0 HB ILE A 42 10.583 -17.046 -12.230 1.00 45.13 H new ATOM 0 HG12 ILE A 42 9.114 -15.162 -10.352 1.00 61.40 H new ATOM 0 HG13 ILE A 42 10.808 -15.595 -10.246 1.00 61.40 H new ATOM 0 HG21 ILE A 42 8.787 -15.797 -13.361 1.00 53.34 H new ATOM 0 HG22 ILE A 42 8.380 -17.521 -13.185 1.00 53.34 H new ATOM 0 HG23 ILE A 42 7.639 -16.317 -12.104 1.00 53.34 H new ATOM 0 HD11 ILE A 42 10.528 -13.402 -11.293 1.00 12.02 H new ATOM 0 HD12 ILE A 42 11.224 -14.562 -12.450 1.00 12.02 H new ATOM 0 HD13 ILE A 42 9.502 -14.122 -12.557 1.00 12.02 H new ATOM 698 N ASN A 43A 10.157 -19.923 -11.676 1.00 54.22 N ATOM 699 CA ASN A 43A 10.030 -21.189 -12.389 1.00 42.45 C ATOM 700 C ASN A 43A 9.421 -22.261 -11.491 1.00 40.32 C ATOM 701 O ASN A 43A 8.535 -23.006 -11.910 1.00 64.21 O ATOM 702 CB ASN A 43A 11.398 -21.650 -12.898 1.00 55.01 C ATOM 703 CG ASN A 43A 11.764 -21.016 -14.226 1.00 64.20 C ATOM 704 OD1 ASN A 43A 11.045 -21.159 -15.215 1.00 14.15 O ATOM 705 ND2 ASN A 43A 12.890 -20.312 -14.254 1.00 54.43 N ATOM 0 H ASN A 43A 11.112 -19.681 -11.412 1.00 54.22 H new ATOM 0 HA ASN A 43A 9.366 -21.034 -13.240 1.00 42.45 H new ATOM 0 HB2 ASN A 43A 12.160 -21.403 -12.158 1.00 55.01 H new ATOM 0 HB3 ASN A 43A 11.396 -22.735 -13.004 1.00 55.01 H new ATOM 0 HD21 ASN A 43A 13.190 -19.863 -15.120 1.00 54.43 H new ATOM 0 HD22 ASN A 43A 13.455 -20.220 -13.410 1.00 54.43 H new ATOM 712 N ARG A 43B 9.902 -22.331 -10.254 1.00 74.51 N ATOM 713 CA ARG A 43B 9.405 -23.312 -9.297 1.00 21.35 C ATOM 714 C ARG A 43B 7.915 -23.113 -9.037 1.00 12.41 C ATOM 715 O ARG A 43B 7.249 -22.347 -9.735 1.00 40.04 O ATOM 716 CB ARG A 43B 10.181 -23.211 -7.982 1.00 33.11 C ATOM 717 CG ARG A 43B 11.688 -23.311 -8.155 1.00 15.35 C ATOM 718 CD ARG A 43B 12.105 -24.697 -8.618 1.00 73.54 C ATOM 719 NE ARG A 43B 13.381 -24.676 -9.327 1.00 63.55 N ATOM 720 CZ ARG A 43B 13.829 -25.686 -10.066 1.00 35.12 C ATOM 721 NH1 ARG A 43B 13.106 -26.791 -10.192 1.00 1.34 N ATOM 722 NH2 ARG A 43B 15.001 -25.592 -10.681 1.00 14.33 N ATOM 0 H ARG A 43B 10.634 -21.721 -9.891 1.00 74.51 H new ATOM 0 HA ARG A 43B 9.552 -24.304 -9.723 1.00 21.35 H new ATOM 0 HB2 ARG A 43B 9.941 -22.263 -7.500 1.00 33.11 H new ATOM 0 HB3 ARG A 43B 9.847 -24.003 -7.311 1.00 33.11 H new ATOM 0 HG2 ARG A 43B 12.022 -22.568 -8.880 1.00 15.35 H new ATOM 0 HG3 ARG A 43B 12.180 -23.079 -7.210 1.00 15.35 H new ATOM 0 HD2 ARG A 43B 12.180 -25.360 -7.756 1.00 73.54 H new ATOM 0 HD3 ARG A 43B 11.335 -25.108 -9.270 1.00 73.54 H new ATOM 0 HE ARG A 43B 13.961 -23.840 -9.251 1.00 63.55 H new ATOM 0 HH11 ARG A 43B 12.204 -26.867 -9.721 1.00 1.34 H new ATOM 0 HH12 ARG A 43B 13.452 -27.565 -10.760 1.00 1.34 H new ATOM 0 HH21 ARG A 43B 15.560 -24.744 -10.587 1.00 14.33 H new ATOM 0 HH22 ARG A 43B 15.343 -26.368 -11.248 1.00 14.33 H new ATOM 736 N LEU A 44 7.397 -23.806 -8.029 1.00 61.11 N ATOM 737 CA LEU A 44 5.985 -23.706 -7.677 1.00 10.31 C ATOM 738 C LEU A 44 5.782 -22.747 -6.508 1.00 41.11 C ATOM 739 O LEU A 44 4.667 -22.298 -6.246 1.00 71.33 O ATOM 740 CB LEU A 44 5.428 -25.086 -7.322 1.00 43.40 C ATOM 741 CG LEU A 44 4.928 -25.930 -8.495 1.00 1.41 C ATOM 742 CD1 LEU A 44 3.515 -25.521 -8.882 1.00 63.41 C ATOM 743 CD2 LEU A 44 5.868 -25.799 -9.685 1.00 31.33 C ATOM 0 H LEU A 44 7.934 -24.443 -7.441 1.00 61.11 H new ATOM 0 HA LEU A 44 5.447 -23.316 -8.541 1.00 10.31 H new ATOM 0 HB2 LEU A 44 6.205 -25.647 -6.802 1.00 43.40 H new ATOM 0 HB3 LEU A 44 4.606 -24.954 -6.619 1.00 43.40 H new ATOM 0 HG LEU A 44 4.910 -26.975 -8.185 1.00 1.41 H new ATOM 0 HD11 LEU A 44 3.176 -26.132 -9.718 1.00 63.41 H new ATOM 0 HD12 LEU A 44 2.848 -25.667 -8.032 1.00 63.41 H new ATOM 0 HD13 LEU A 44 3.507 -24.471 -9.173 1.00 63.41 H new ATOM 0 HD21 LEU A 44 5.497 -26.406 -10.511 1.00 31.33 H new ATOM 0 HD22 LEU A 44 5.918 -24.756 -9.996 1.00 31.33 H new ATOM 0 HD23 LEU A 44 6.863 -26.141 -9.402 1.00 31.33 H new ATOM 755 N GLY A 45 6.869 -22.435 -5.809 1.00 65.22 N ATOM 756 CA GLY A 45 6.790 -21.530 -4.678 1.00 12.31 C ATOM 757 C GLY A 45 7.849 -21.815 -3.631 1.00 52.24 C ATOM 758 O GLY A 45 7.813 -22.850 -2.968 1.00 61.31 O ATOM 0 H GLY A 45 7.803 -22.793 -6.006 1.00 65.22 H new ATOM 0 HA2 GLY A 45 6.898 -20.504 -5.030 1.00 12.31 H new ATOM 0 HA3 GLY A 45 5.803 -21.608 -4.222 1.00 12.31 H new ATOM 762 N GLY A 46 8.796 -20.894 -3.484 1.00 2.41 N ATOM 763 CA GLY A 46 9.858 -21.071 -2.510 1.00 52.34 C ATOM 764 C GLY A 46 10.460 -19.753 -2.063 1.00 71.41 C ATOM 765 O GLY A 46 11.621 -19.451 -2.340 1.00 20.45 O ATOM 0 H GLY A 46 8.847 -20.029 -4.022 1.00 2.41 H new ATOM 0 HA2 GLY A 46 9.466 -21.601 -1.642 1.00 52.34 H new ATOM 0 HA3 GLY A 46 10.640 -21.697 -2.939 1.00 52.34 H new ATOM 769 N PRO A 47 9.659 -18.942 -1.356 1.00 24.32 N ATOM 770 CA PRO A 47 10.098 -17.636 -0.855 1.00 64.25 C ATOM 771 C PRO A 47 11.126 -17.760 0.264 1.00 30.04 C ATOM 772 O PRO A 47 10.819 -18.250 1.350 1.00 0.13 O ATOM 773 CB PRO A 47 8.807 -17.006 -0.329 1.00 11.32 C ATOM 774 CG PRO A 47 7.930 -18.162 0.007 1.00 61.32 C ATOM 775 CD PRO A 47 8.264 -19.238 -0.990 1.00 1.15 C ATOM 0 HA PRO A 47 10.591 -17.047 -1.629 1.00 64.25 H new ATOM 0 HB2 PRO A 47 8.998 -16.386 0.547 1.00 11.32 H new ATOM 0 HB3 PRO A 47 8.346 -16.364 -1.079 1.00 11.32 H new ATOM 0 HG2 PRO A 47 8.109 -18.505 1.026 1.00 61.32 H new ATOM 0 HG3 PRO A 47 6.878 -17.885 -0.056 1.00 61.32 H new ATOM 0 HD2 PRO A 47 8.165 -20.233 -0.556 1.00 1.15 H new ATOM 0 HD3 PRO A 47 7.605 -19.201 -1.857 1.00 1.15 H new ATOM 783 N GLY A 48 12.348 -17.312 -0.007 1.00 40.15 N ATOM 784 CA GLY A 48 13.402 -17.381 0.988 1.00 60.54 C ATOM 785 C GLY A 48 13.902 -16.011 1.399 1.00 65.01 C ATOM 786 O GLY A 48 13.129 -15.174 1.868 1.00 64.44 O ATOM 0 H GLY A 48 12.627 -16.902 -0.898 1.00 40.15 H new ATOM 0 HA2 GLY A 48 13.033 -17.909 1.868 1.00 60.54 H new ATOM 0 HA3 GLY A 48 14.233 -17.964 0.592 1.00 60.54 H new ATOM 790 N LEU A 49 15.199 -15.780 1.225 1.00 1.05 N ATOM 791 CA LEU A 49 15.803 -14.501 1.584 1.00 71.24 C ATOM 792 C LEU A 49 17.134 -14.307 0.864 1.00 12.01 C ATOM 793 O LEU A 49 18.029 -15.148 0.954 1.00 13.52 O ATOM 794 CB LEU A 49 16.011 -14.419 3.097 1.00 64.22 C ATOM 795 CG LEU A 49 15.836 -13.036 3.724 1.00 4.05 C ATOM 796 CD1 LEU A 49 15.198 -13.151 5.100 1.00 4.12 C ATOM 797 CD2 LEU A 49 17.175 -12.318 3.814 1.00 51.53 C ATOM 0 H LEU A 49 15.852 -16.461 0.838 1.00 1.05 H new ATOM 0 HA LEU A 49 15.124 -13.707 1.274 1.00 71.24 H new ATOM 0 HB2 LEU A 49 15.313 -15.105 3.577 1.00 64.22 H new ATOM 0 HB3 LEU A 49 17.016 -14.775 3.325 1.00 64.22 H new ATOM 0 HG LEU A 49 15.174 -12.450 3.086 1.00 4.05 H new ATOM 0 HD11 LEU A 49 15.081 -12.157 5.531 1.00 4.12 H new ATOM 0 HD12 LEU A 49 14.220 -13.624 5.009 1.00 4.12 H new ATOM 0 HD13 LEU A 49 15.835 -13.754 5.747 1.00 4.12 H new ATOM 0 HD21 LEU A 49 17.031 -11.335 4.263 1.00 51.53 H new ATOM 0 HD22 LEU A 49 17.860 -12.901 4.429 1.00 51.53 H new ATOM 0 HD23 LEU A 49 17.594 -12.203 2.814 1.00 51.53 H new ATOM 809 N VAL A 50 17.258 -13.192 0.151 1.00 1.23 N ATOM 810 CA VAL A 50 18.481 -12.885 -0.581 1.00 50.00 C ATOM 811 C VAL A 50 18.830 -11.405 -0.472 1.00 51.14 C ATOM 812 O VAL A 50 17.984 -10.528 -0.647 1.00 11.30 O ATOM 813 CB VAL A 50 18.354 -13.263 -2.069 1.00 21.43 C ATOM 814 CG1 VAL A 50 17.181 -12.535 -2.707 1.00 44.21 C ATOM 815 CG2 VAL A 50 19.648 -12.958 -2.808 1.00 22.22 C ATOM 0 H VAL A 50 16.526 -12.486 0.065 1.00 1.23 H new ATOM 0 HA VAL A 50 19.277 -13.477 -0.130 1.00 50.00 H new ATOM 0 HB VAL A 50 18.166 -14.334 -2.139 1.00 21.43 H new ATOM 0 HG11 VAL A 50 17.107 -12.815 -3.758 1.00 44.21 H new ATOM 0 HG12 VAL A 50 16.260 -12.809 -2.193 1.00 44.21 H new ATOM 0 HG13 VAL A 50 17.334 -11.459 -2.628 1.00 44.21 H new ATOM 0 HG21 VAL A 50 19.541 -13.231 -3.858 1.00 22.22 H new ATOM 0 HG22 VAL A 50 19.869 -11.893 -2.731 1.00 22.22 H new ATOM 0 HG23 VAL A 50 20.463 -13.531 -2.366 1.00 22.22 H new ATOM 825 N PRO A 51 20.107 -11.118 -0.177 1.00 75.23 N ATOM 826 CA PRO A 51 20.598 -9.744 -0.040 1.00 13.14 C ATOM 827 C PRO A 51 20.638 -9.006 -1.374 1.00 32.24 C ATOM 828 O PRO A 51 20.822 -9.617 -2.427 1.00 14.43 O ATOM 829 CB PRO A 51 22.013 -9.927 0.513 1.00 44.10 C ATOM 830 CG PRO A 51 22.424 -11.285 0.060 1.00 21.53 C ATOM 831 CD PRO A 51 21.169 -12.113 0.044 1.00 30.51 C ATOM 0 HA PRO A 51 19.951 -9.142 0.598 1.00 13.14 H new ATOM 0 HB2 PRO A 51 22.689 -9.161 0.132 1.00 44.10 H new ATOM 0 HB3 PRO A 51 22.026 -9.852 1.600 1.00 44.10 H new ATOM 0 HG2 PRO A 51 22.878 -11.245 -0.930 1.00 21.53 H new ATOM 0 HG3 PRO A 51 23.166 -11.713 0.734 1.00 21.53 H new ATOM 0 HD2 PRO A 51 21.191 -12.860 -0.749 1.00 30.51 H new ATOM 0 HD3 PRO A 51 21.029 -12.649 0.983 1.00 30.51 H new ATOM 839 N VAL A 52 20.465 -7.689 -1.322 1.00 30.22 N ATOM 840 CA VAL A 52 20.483 -6.868 -2.526 1.00 40.23 C ATOM 841 C VAL A 52 21.801 -7.022 -3.277 1.00 72.42 C ATOM 842 O VAL A 52 21.878 -6.759 -4.477 1.00 1.40 O ATOM 843 CB VAL A 52 20.266 -5.380 -2.194 1.00 53.41 C ATOM 844 CG1 VAL A 52 20.090 -4.568 -3.468 1.00 41.05 C ATOM 845 CG2 VAL A 52 19.066 -5.209 -1.274 1.00 61.22 C ATOM 0 H VAL A 52 20.311 -7.168 -0.459 1.00 30.22 H new ATOM 0 HA VAL A 52 19.665 -7.215 -3.158 1.00 40.23 H new ATOM 0 HB VAL A 52 21.150 -5.009 -1.675 1.00 53.41 H new ATOM 0 HG11 VAL A 52 19.938 -3.519 -3.213 1.00 41.05 H new ATOM 0 HG12 VAL A 52 20.982 -4.665 -4.087 1.00 41.05 H new ATOM 0 HG13 VAL A 52 19.224 -4.937 -4.018 1.00 41.05 H new ATOM 0 HG21 VAL A 52 18.927 -4.151 -1.050 1.00 61.22 H new ATOM 0 HG22 VAL A 52 18.173 -5.596 -1.765 1.00 61.22 H new ATOM 0 HG23 VAL A 52 19.237 -5.757 -0.347 1.00 61.22 H new ATOM 855 N SER A 53 22.836 -7.452 -2.563 1.00 32.44 N ATOM 856 CA SER A 53 24.153 -7.639 -3.161 1.00 34.45 C ATOM 857 C SER A 53 24.206 -8.937 -3.961 1.00 42.25 C ATOM 858 O SER A 53 25.223 -9.258 -4.577 1.00 50.22 O ATOM 859 CB SER A 53 25.232 -7.651 -2.076 1.00 35.41 C ATOM 860 OG SER A 53 25.403 -6.362 -1.513 1.00 34.45 O ATOM 0 H SER A 53 22.788 -7.678 -1.569 1.00 32.44 H new ATOM 0 HA SER A 53 24.339 -6.806 -3.839 1.00 34.45 H new ATOM 0 HB2 SER A 53 24.958 -8.359 -1.294 1.00 35.41 H new ATOM 0 HB3 SER A 53 26.175 -7.994 -2.501 1.00 35.41 H new ATOM 0 HG SER A 53 26.038 -6.412 -0.768 1.00 34.45 H new ATOM 866 N TYR A 54 23.104 -9.679 -3.948 1.00 44.41 N ATOM 867 CA TYR A 54 23.025 -10.943 -4.671 1.00 2.44 C ATOM 868 C TYR A 54 21.820 -10.961 -5.606 1.00 0.01 C ATOM 869 O TYR A 54 21.469 -12.000 -6.165 1.00 41.03 O ATOM 870 CB TYR A 54 22.940 -12.112 -3.688 1.00 11.53 C ATOM 871 CG TYR A 54 24.289 -12.656 -3.275 1.00 50.25 C ATOM 872 CD1 TYR A 54 25.032 -12.040 -2.276 1.00 44.10 C ATOM 873 CD2 TYR A 54 24.821 -13.785 -3.886 1.00 13.12 C ATOM 874 CE1 TYR A 54 26.266 -12.533 -1.896 1.00 72.14 C ATOM 875 CE2 TYR A 54 26.052 -14.286 -3.512 1.00 5.13 C ATOM 876 CZ TYR A 54 26.771 -13.657 -2.517 1.00 3.51 C ATOM 877 OH TYR A 54 27.999 -14.152 -2.142 1.00 43.33 O ATOM 0 H TYR A 54 22.253 -9.427 -3.445 1.00 44.41 H new ATOM 0 HA TYR A 54 23.929 -11.047 -5.271 1.00 2.44 H new ATOM 0 HB2 TYR A 54 22.400 -11.789 -2.798 1.00 11.53 H new ATOM 0 HB3 TYR A 54 22.357 -12.914 -4.140 1.00 11.53 H new ATOM 0 HD1 TYR A 54 24.639 -11.161 -1.788 1.00 44.10 H new ATOM 0 HD2 TYR A 54 24.262 -14.279 -4.667 1.00 13.12 H new ATOM 0 HE1 TYR A 54 26.831 -12.042 -1.118 1.00 72.14 H new ATOM 0 HE2 TYR A 54 26.450 -15.166 -3.996 1.00 5.13 H new ATOM 0 HH TYR A 54 28.208 -14.947 -2.675 1.00 43.33 H new ATOM 887 N VAL A 55 21.190 -9.802 -5.771 1.00 71.32 N ATOM 888 CA VAL A 55 20.025 -9.683 -6.640 1.00 11.23 C ATOM 889 C VAL A 55 19.969 -8.309 -7.298 1.00 14.33 C ATOM 890 O VAL A 55 20.256 -7.293 -6.664 1.00 31.35 O ATOM 891 CB VAL A 55 18.717 -9.921 -5.861 1.00 5.11 C ATOM 892 CG1 VAL A 55 17.565 -9.170 -6.510 1.00 11.54 C ATOM 893 CG2 VAL A 55 18.413 -11.409 -5.774 1.00 1.21 C ATOM 0 H VAL A 55 21.467 -8.933 -5.315 1.00 71.32 H new ATOM 0 HA VAL A 55 20.125 -10.448 -7.410 1.00 11.23 H new ATOM 0 HB VAL A 55 18.843 -9.539 -4.848 1.00 5.11 H new ATOM 0 HG11 VAL A 55 16.650 -9.350 -5.946 1.00 11.54 H new ATOM 0 HG12 VAL A 55 17.784 -8.102 -6.515 1.00 11.54 H new ATOM 0 HG13 VAL A 55 17.435 -9.519 -7.534 1.00 11.54 H new ATOM 0 HG21 VAL A 55 17.486 -11.559 -5.221 1.00 1.21 H new ATOM 0 HG22 VAL A 55 18.306 -11.818 -6.779 1.00 1.21 H new ATOM 0 HG23 VAL A 55 19.229 -11.918 -5.260 1.00 1.21 H new ATOM 903 N ARG A 56 19.596 -8.284 -8.573 1.00 70.31 N ATOM 904 CA ARG A 56 19.502 -7.035 -9.318 1.00 4.50 C ATOM 905 C ARG A 56 18.046 -6.623 -9.508 1.00 55.24 C ATOM 906 O ARG A 56 17.211 -7.429 -9.921 1.00 23.35 O ATOM 907 CB ARG A 56 20.186 -7.175 -10.679 1.00 71.14 C ATOM 908 CG ARG A 56 19.860 -6.046 -11.644 1.00 30.51 C ATOM 909 CD ARG A 56 20.618 -6.196 -12.953 1.00 62.55 C ATOM 910 NE ARG A 56 21.994 -5.719 -12.847 1.00 62.01 N ATOM 911 CZ ARG A 56 22.964 -6.082 -13.678 1.00 65.25 C ATOM 912 NH1 ARG A 56 22.711 -6.922 -14.673 1.00 15.15 N ATOM 913 NH2 ARG A 56 24.192 -5.605 -13.517 1.00 11.43 N ATOM 0 H ARG A 56 19.354 -9.115 -9.112 1.00 70.31 H new ATOM 0 HA ARG A 56 20.008 -6.260 -8.743 1.00 4.50 H new ATOM 0 HB2 ARG A 56 21.265 -7.215 -10.531 1.00 71.14 H new ATOM 0 HB3 ARG A 56 19.890 -8.123 -11.129 1.00 71.14 H new ATOM 0 HG2 ARG A 56 18.788 -6.033 -11.842 1.00 30.51 H new ATOM 0 HG3 ARG A 56 20.110 -5.090 -11.185 1.00 30.51 H new ATOM 0 HD2 ARG A 56 20.620 -7.244 -13.253 1.00 62.55 H new ATOM 0 HD3 ARG A 56 20.102 -5.641 -13.736 1.00 62.55 H new ATOM 0 HE ARG A 56 22.223 -5.071 -12.093 1.00 62.01 H new ATOM 0 HH11 ARG A 56 21.769 -7.291 -14.802 1.00 15.15 H new ATOM 0 HH12 ARG A 56 23.459 -7.199 -15.309 1.00 15.15 H new ATOM 0 HH21 ARG A 56 24.392 -4.958 -12.754 1.00 11.43 H new ATOM 0 HH22 ARG A 56 24.936 -5.885 -14.156 1.00 11.43 H new ATOM 927 N ILE A 57 17.747 -5.364 -9.205 1.00 44.00 N ATOM 928 CA ILE A 57 16.392 -4.846 -9.343 1.00 41.24 C ATOM 929 C ILE A 57 16.144 -4.324 -10.755 1.00 22.52 C ATOM 930 O ILE A 57 16.680 -3.287 -11.147 1.00 34.20 O ATOM 931 CB ILE A 57 16.116 -3.715 -8.335 1.00 31.23 C ATOM 932 CG1 ILE A 57 16.505 -4.156 -6.922 1.00 73.21 C ATOM 933 CG2 ILE A 57 14.651 -3.308 -8.384 1.00 11.31 C ATOM 934 CD1 ILE A 57 15.680 -5.313 -6.402 1.00 4.01 C ATOM 0 H ILE A 57 18.426 -4.684 -8.862 1.00 44.00 H new ATOM 0 HA ILE A 57 15.715 -5.676 -9.140 1.00 41.24 H new ATOM 0 HB ILE A 57 16.722 -2.851 -8.606 1.00 31.23 H new ATOM 0 HG12 ILE A 57 17.558 -4.439 -6.915 1.00 73.21 H new ATOM 0 HG13 ILE A 57 16.398 -3.310 -6.243 1.00 73.21 H new ATOM 0 HG21 ILE A 57 14.471 -2.508 -7.666 1.00 11.31 H new ATOM 0 HG22 ILE A 57 14.404 -2.958 -9.386 1.00 11.31 H new ATOM 0 HG23 ILE A 57 14.027 -4.166 -8.135 1.00 11.31 H new ATOM 0 HD11 ILE A 57 16.010 -5.572 -5.396 1.00 4.01 H new ATOM 0 HD12 ILE A 57 14.628 -5.027 -6.376 1.00 4.01 H new ATOM 0 HD13 ILE A 57 15.806 -6.174 -7.058 1.00 4.01 H new ATOM 946 N ILE A 58 15.328 -5.050 -11.513 1.00 5.54 N ATOM 947 CA ILE A 58 15.007 -4.658 -12.880 1.00 23.45 C ATOM 948 C ILE A 58 13.502 -4.505 -13.068 1.00 72.32 C ATOM 949 O ILE A 58 12.711 -5.032 -12.286 1.00 20.44 O ATOM 950 CB ILE A 58 15.539 -5.684 -13.898 1.00 43.43 C ATOM 951 CG1 ILE A 58 15.099 -7.097 -13.510 1.00 52.42 C ATOM 952 CG2 ILE A 58 17.056 -5.602 -13.989 1.00 52.12 C ATOM 953 CD1 ILE A 58 14.804 -7.985 -14.698 1.00 74.12 C ATOM 0 H ILE A 58 14.878 -5.912 -11.204 1.00 5.54 H new ATOM 0 HA ILE A 58 15.492 -3.698 -13.056 1.00 23.45 H new ATOM 0 HB ILE A 58 15.122 -5.451 -14.878 1.00 43.43 H new ATOM 0 HG12 ILE A 58 15.880 -7.559 -12.906 1.00 52.42 H new ATOM 0 HG13 ILE A 58 14.209 -7.033 -12.885 1.00 52.42 H new ATOM 0 HG21 ILE A 58 17.417 -6.333 -14.712 1.00 52.12 H new ATOM 0 HG22 ILE A 58 17.348 -4.601 -14.308 1.00 52.12 H new ATOM 0 HG23 ILE A 58 17.491 -5.813 -13.012 1.00 52.12 H new ATOM 0 HD11 ILE A 58 14.498 -8.971 -14.348 1.00 74.12 H new ATOM 0 HD12 ILE A 58 14.002 -7.545 -15.291 1.00 74.12 H new ATOM 0 HD13 ILE A 58 15.699 -8.080 -15.313 1.00 74.12 H new ATOM 965 N ASP A 59 13.113 -3.782 -14.112 1.00 74.13 N ATOM 966 CA ASP A 59 11.701 -3.562 -14.406 1.00 44.24 C ATOM 967 C ASP A 59 11.207 -4.545 -15.463 1.00 15.32 C ATOM 968 O ASP A 59 11.776 -4.643 -16.550 1.00 44.35 O ATOM 969 CB ASP A 59 11.476 -2.126 -14.882 1.00 52.14 C ATOM 970 CG ASP A 59 10.005 -1.777 -14.993 1.00 14.10 C ATOM 971 OD1 ASP A 59 9.167 -2.694 -14.865 1.00 13.31 O ATOM 972 OD2 ASP A 59 9.691 -0.587 -15.209 1.00 22.25 O ATOM 0 H ASP A 59 13.755 -3.338 -14.769 1.00 74.13 H new ATOM 0 HA ASP A 59 11.134 -3.726 -13.490 1.00 44.24 H new ATOM 0 HB2 ASP A 59 11.959 -1.437 -14.189 1.00 52.14 H new ATOM 0 HB3 ASP A 59 11.953 -1.989 -15.852 1.00 52.14 H new ATOM 977 N LEU A 60 10.144 -5.271 -15.136 1.00 32.54 N ATOM 978 CA LEU A 60 9.572 -6.248 -16.056 1.00 21.41 C ATOM 979 C LEU A 60 9.307 -5.621 -17.421 1.00 11.24 C ATOM 980 O LEU A 60 9.495 -6.260 -18.455 1.00 52.34 O ATOM 981 CB LEU A 60 8.273 -6.819 -15.483 1.00 45.11 C ATOM 982 CG LEU A 60 8.345 -8.252 -14.955 1.00 24.10 C ATOM 983 CD1 LEU A 60 6.989 -8.696 -14.430 1.00 0.04 C ATOM 984 CD2 LEU A 60 8.834 -9.198 -16.043 1.00 15.51 C ATOM 0 H LEU A 60 9.660 -5.202 -14.241 1.00 32.54 H new ATOM 0 HA LEU A 60 10.292 -7.056 -16.182 1.00 21.41 H new ATOM 0 HB2 LEU A 60 7.941 -6.171 -14.672 1.00 45.11 H new ATOM 0 HB3 LEU A 60 7.508 -6.777 -16.258 1.00 45.11 H new ATOM 0 HG LEU A 60 9.058 -8.280 -14.131 1.00 24.10 H new ATOM 0 HD11 LEU A 60 7.060 -9.718 -14.058 1.00 0.04 H new ATOM 0 HD12 LEU A 60 6.679 -8.036 -13.620 1.00 0.04 H new ATOM 0 HD13 LEU A 60 6.255 -8.652 -15.235 1.00 0.04 H new ATOM 0 HD21 LEU A 60 8.879 -10.213 -15.649 1.00 15.51 H new ATOM 0 HD22 LEU A 60 8.146 -9.167 -16.888 1.00 15.51 H new ATOM 0 HD23 LEU A 60 9.827 -8.892 -16.372 1.00 15.51 H new ATOM 996 N MET A 61 8.871 -4.365 -17.414 1.00 63.21 N ATOM 997 CA MET A 61 8.584 -3.650 -18.652 1.00 71.11 C ATOM 998 C MET A 61 9.865 -3.106 -19.276 1.00 2.03 C ATOM 999 O MET A 61 9.974 -2.996 -20.497 1.00 50.40 O ATOM 1000 CB MET A 61 7.605 -2.505 -18.389 1.00 14.41 C ATOM 1001 CG MET A 61 6.204 -2.973 -18.028 1.00 61.15 C ATOM 1002 SD MET A 61 5.936 -3.055 -16.247 1.00 60.13 S ATOM 1003 CE MET A 61 5.676 -4.813 -16.025 1.00 35.13 C ATOM 0 H MET A 61 8.709 -3.822 -16.566 1.00 63.21 H new ATOM 0 HA MET A 61 8.131 -4.353 -19.351 1.00 71.11 H new ATOM 0 HB2 MET A 61 7.992 -1.886 -17.580 1.00 14.41 H new ATOM 0 HB3 MET A 61 7.551 -1.873 -19.276 1.00 14.41 H new ATOM 0 HG2 MET A 61 5.474 -2.296 -18.470 1.00 61.15 H new ATOM 0 HG3 MET A 61 6.031 -3.957 -18.463 1.00 61.15 H new ATOM 0 HE1 MET A 61 6.066 -5.119 -15.054 1.00 35.13 H new ATOM 0 HE2 MET A 61 4.609 -5.032 -16.073 1.00 35.13 H new ATOM 0 HE3 MET A 61 6.194 -5.360 -16.813 1.00 35.13 H new ATOM 1013 N ASP A 62 10.832 -2.767 -18.430 1.00 31.31 N ATOM 1014 CA ASP A 62 12.106 -2.235 -18.898 1.00 63.25 C ATOM 1015 C ASP A 62 13.269 -2.848 -18.124 1.00 71.31 C ATOM 1016 O ASP A 62 13.835 -2.236 -17.218 1.00 72.21 O ATOM 1017 CB ASP A 62 12.130 -0.712 -18.758 1.00 22.42 C ATOM 1018 CG ASP A 62 11.227 -0.220 -17.645 1.00 13.44 C ATOM 1019 OD1 ASP A 62 9.992 -0.237 -17.831 1.00 62.33 O ATOM 1020 OD2 ASP A 62 11.754 0.185 -16.587 1.00 20.40 O ATOM 0 H ASP A 62 10.757 -2.851 -17.416 1.00 31.31 H new ATOM 0 HA ASP A 62 12.216 -2.497 -19.950 1.00 63.25 H new ATOM 0 HB2 ASP A 62 13.151 -0.384 -18.565 1.00 22.42 H new ATOM 0 HB3 ASP A 62 11.821 -0.258 -19.700 1.00 22.42 H new ATOM 1025 N PRO A 63 13.634 -4.087 -18.487 1.00 2.12 N ATOM 1026 CA PRO A 63 14.732 -4.810 -17.838 1.00 60.24 C ATOM 1027 C PRO A 63 16.095 -4.208 -18.163 1.00 13.43 C ATOM 1028 O PRO A 63 17.109 -4.596 -17.584 1.00 61.15 O ATOM 1029 CB PRO A 63 14.619 -6.222 -18.420 1.00 43.41 C ATOM 1030 CG PRO A 63 13.944 -6.037 -19.735 1.00 42.51 C ATOM 1031 CD PRO A 63 13.004 -4.876 -19.558 1.00 60.43 C ATOM 0 HA PRO A 63 14.657 -4.774 -16.751 1.00 60.24 H new ATOM 0 HB2 PRO A 63 15.601 -6.680 -18.540 1.00 43.41 H new ATOM 0 HB3 PRO A 63 14.040 -6.874 -17.766 1.00 43.41 H new ATOM 0 HG2 PRO A 63 14.671 -5.834 -20.522 1.00 42.51 H new ATOM 0 HG3 PRO A 63 13.402 -6.937 -20.026 1.00 42.51 H new ATOM 0 HD2 PRO A 63 12.902 -4.298 -20.476 1.00 60.43 H new ATOM 0 HD3 PRO A 63 12.004 -5.208 -19.278 1.00 60.43 H new ATOM 1039 N ALA A 64 16.110 -3.256 -19.091 1.00 22.33 N ATOM 1040 CA ALA A 64 17.348 -2.598 -19.490 1.00 22.53 C ATOM 1041 C ALA A 64 17.531 -1.277 -18.751 1.00 33.35 C ATOM 1042 O ALA A 64 18.653 -0.878 -18.439 1.00 11.11 O ATOM 1043 CB ALA A 64 17.364 -2.370 -20.994 1.00 35.40 C ATOM 0 H ALA A 64 15.279 -2.924 -19.580 1.00 22.33 H new ATOM 0 HA ALA A 64 18.179 -3.251 -19.224 1.00 22.53 H new ATOM 0 HB1 ALA A 64 18.294 -1.878 -21.278 1.00 35.40 H new ATOM 0 HB2 ALA A 64 17.289 -3.328 -21.508 1.00 35.40 H new ATOM 0 HB3 ALA A 64 16.520 -1.740 -21.276 1.00 35.40 H new ATOM 1049 N LYS A 65 16.421 -0.602 -18.473 1.00 13.31 N ATOM 1050 CA LYS A 65 16.457 0.675 -17.770 1.00 1.03 C ATOM 1051 C LYS A 65 16.974 0.497 -16.346 1.00 12.24 C ATOM 1052 O LYS A 65 17.898 1.190 -15.919 1.00 50.12 O ATOM 1053 CB LYS A 65 15.063 1.306 -17.743 1.00 21.23 C ATOM 1054 CG LYS A 65 15.083 2.824 -17.725 1.00 12.40 C ATOM 1055 CD LYS A 65 14.874 3.368 -16.322 1.00 4.44 C ATOM 1056 CE LYS A 65 16.188 3.466 -15.561 1.00 11.11 C ATOM 1057 NZ LYS A 65 16.379 4.813 -14.956 1.00 5.14 N ATOM 0 H LYS A 65 15.484 -0.918 -18.724 1.00 13.31 H new ATOM 0 HA LYS A 65 17.138 1.337 -18.305 1.00 1.03 H new ATOM 0 HB2 LYS A 65 14.504 0.969 -18.616 1.00 21.23 H new ATOM 0 HB3 LYS A 65 14.528 0.948 -16.864 1.00 21.23 H new ATOM 0 HG2 LYS A 65 16.036 3.181 -18.116 1.00 12.40 H new ATOM 0 HG3 LYS A 65 14.304 3.207 -18.384 1.00 12.40 H new ATOM 0 HD2 LYS A 65 14.410 4.353 -16.378 1.00 4.44 H new ATOM 0 HD3 LYS A 65 14.185 2.721 -15.779 1.00 4.44 H new ATOM 0 HE2 LYS A 65 16.211 2.709 -14.777 1.00 11.11 H new ATOM 0 HE3 LYS A 65 17.016 3.250 -16.236 1.00 11.11 H new ATOM 0 HZ1 LYS A 65 17.285 4.839 -14.446 1.00 5.14 H new ATOM 0 HZ2 LYS A 65 16.383 5.533 -15.706 1.00 5.14 H new ATOM 0 HZ3 LYS A 65 15.603 5.009 -14.292 1.00 5.14 H new ATOM 1071 N TYR A 66 16.373 -0.436 -15.615 1.00 51.44 N ATOM 1072 CA TYR A 66 16.772 -0.704 -14.239 1.00 0.52 C ATOM 1073 C TYR A 66 17.847 -1.784 -14.184 1.00 22.50 C ATOM 1074 O TYR A 66 18.073 -2.399 -13.142 1.00 11.11 O ATOM 1075 CB TYR A 66 15.561 -1.131 -13.408 1.00 54.14 C ATOM 1076 CG TYR A 66 14.654 0.017 -13.025 1.00 72.33 C ATOM 1077 CD1 TYR A 66 13.924 0.702 -13.989 1.00 12.34 C ATOM 1078 CD2 TYR A 66 14.528 0.416 -11.701 1.00 14.14 C ATOM 1079 CE1 TYR A 66 13.095 1.752 -13.643 1.00 75.04 C ATOM 1080 CE2 TYR A 66 13.700 1.464 -11.346 1.00 73.51 C ATOM 1081 CZ TYR A 66 12.985 2.128 -12.321 1.00 5.40 C ATOM 1082 OH TYR A 66 12.161 3.173 -11.972 1.00 53.31 O ATOM 0 H TYR A 66 15.608 -1.019 -15.953 1.00 51.44 H new ATOM 0 HA TYR A 66 17.184 0.215 -13.822 1.00 0.52 H new ATOM 0 HB2 TYR A 66 14.985 -1.866 -13.971 1.00 54.14 H new ATOM 0 HB3 TYR A 66 15.909 -1.626 -12.501 1.00 54.14 H new ATOM 0 HD1 TYR A 66 14.006 0.409 -15.025 1.00 12.34 H new ATOM 0 HD2 TYR A 66 15.087 -0.102 -10.935 1.00 14.14 H new ATOM 0 HE1 TYR A 66 12.536 2.276 -14.404 1.00 75.04 H new ATOM 0 HE2 TYR A 66 13.613 1.761 -10.311 1.00 73.51 H new ATOM 0 HH TYR A 66 11.413 3.224 -12.603 1.00 53.31 H new ATOM 1092 N ALA A 67 18.508 -2.010 -15.315 1.00 22.24 N ATOM 1093 CA ALA A 67 19.562 -3.014 -15.396 1.00 73.22 C ATOM 1094 C ALA A 67 20.896 -2.449 -14.922 1.00 24.30 C ATOM 1095 O ALA A 67 21.787 -3.195 -14.515 1.00 2.24 O ATOM 1096 CB ALA A 67 19.684 -3.537 -16.820 1.00 14.10 C ATOM 0 H ALA A 67 18.332 -1.512 -16.187 1.00 22.24 H new ATOM 0 HA ALA A 67 19.294 -3.841 -14.738 1.00 73.22 H new ATOM 0 HB1 ALA A 67 20.475 -4.286 -16.866 1.00 14.10 H new ATOM 0 HB2 ALA A 67 18.739 -3.988 -17.124 1.00 14.10 H new ATOM 0 HB3 ALA A 67 19.926 -2.713 -17.491 1.00 14.10 H new ATOM 1102 N SER A 68 21.028 -1.128 -14.978 1.00 41.14 N ATOM 1103 CA SER A 68 22.256 -0.463 -14.559 1.00 24.43 C ATOM 1104 C SER A 68 22.158 -0.007 -13.106 1.00 62.22 C ATOM 1105 O SER A 68 23.129 0.484 -12.531 1.00 23.15 O ATOM 1106 CB SER A 68 22.547 0.736 -15.463 1.00 62.32 C ATOM 1107 OG SER A 68 23.740 1.393 -15.071 1.00 71.10 O ATOM 0 H SER A 68 20.299 -0.496 -15.310 1.00 41.14 H new ATOM 0 HA SER A 68 23.074 -1.179 -14.643 1.00 24.43 H new ATOM 0 HB2 SER A 68 22.635 0.403 -16.497 1.00 62.32 H new ATOM 0 HB3 SER A 68 21.713 1.436 -15.423 1.00 62.32 H new ATOM 0 HG SER A 68 23.834 1.346 -14.097 1.00 71.10 H new ATOM 1113 N VAL A 69 20.977 -0.173 -12.519 1.00 23.42 N ATOM 1114 CA VAL A 69 20.751 0.220 -11.133 1.00 74.32 C ATOM 1115 C VAL A 69 21.818 -0.364 -10.215 1.00 31.44 C ATOM 1116 O VAL A 69 21.995 -1.581 -10.147 1.00 0.14 O ATOM 1117 CB VAL A 69 19.363 -0.232 -10.642 1.00 34.04 C ATOM 1118 CG1 VAL A 69 19.236 -0.030 -9.139 1.00 40.54 C ATOM 1119 CG2 VAL A 69 18.266 0.517 -11.383 1.00 75.21 C ATOM 0 H VAL A 69 20.162 -0.577 -12.981 1.00 23.42 H new ATOM 0 HA VAL A 69 20.804 1.308 -11.099 1.00 74.32 H new ATOM 0 HB VAL A 69 19.251 -1.296 -10.852 1.00 34.04 H new ATOM 0 HG11 VAL A 69 18.249 -0.355 -8.810 1.00 40.54 H new ATOM 0 HG12 VAL A 69 20.000 -0.616 -8.627 1.00 40.54 H new ATOM 0 HG13 VAL A 69 19.368 1.025 -8.901 1.00 40.54 H new ATOM 0 HG21 VAL A 69 17.292 0.185 -11.023 1.00 75.21 H new ATOM 0 HG22 VAL A 69 18.373 1.587 -11.206 1.00 75.21 H new ATOM 0 HG23 VAL A 69 18.346 0.316 -12.451 1.00 75.21 H new ATOM 1129 N ASP A 70 22.526 0.510 -9.509 1.00 3.20 N ATOM 1130 CA ASP A 70 23.576 0.082 -8.592 1.00 61.51 C ATOM 1131 C ASP A 70 22.979 -0.449 -7.292 1.00 41.32 C ATOM 1132 O ASP A 70 23.005 0.227 -6.263 1.00 23.33 O ATOM 1133 CB ASP A 70 24.528 1.241 -8.295 1.00 0.21 C ATOM 1134 CG ASP A 70 25.129 1.834 -9.554 1.00 41.11 C ATOM 1135 OD1 ASP A 70 25.262 1.096 -10.552 1.00 62.30 O ATOM 1136 OD2 ASP A 70 25.467 3.036 -9.541 1.00 42.53 O ATOM 0 H ASP A 70 22.392 1.520 -9.554 1.00 3.20 H new ATOM 0 HA ASP A 70 24.135 -0.723 -9.069 1.00 61.51 H new ATOM 0 HB2 ASP A 70 23.991 2.018 -7.751 1.00 0.21 H new ATOM 0 HB3 ASP A 70 25.329 0.892 -7.643 1.00 0.21 H new ATOM 1141 N THR A 71 22.440 -1.663 -7.346 1.00 52.34 N ATOM 1142 CA THR A 71 21.834 -2.283 -6.175 1.00 2.01 C ATOM 1143 C THR A 71 22.741 -2.159 -4.956 1.00 43.32 C ATOM 1144 O THR A 71 22.267 -2.017 -3.829 1.00 31.52 O ATOM 1145 CB THR A 71 21.528 -3.772 -6.423 1.00 34.01 C ATOM 1146 OG1 THR A 71 22.413 -4.295 -7.419 1.00 62.22 O ATOM 1147 CG2 THR A 71 20.086 -3.961 -6.869 1.00 53.43 C ATOM 0 H THR A 71 22.411 -2.236 -8.189 1.00 52.34 H new ATOM 0 HA THR A 71 20.900 -1.754 -5.985 1.00 2.01 H new ATOM 0 HB THR A 71 21.676 -4.311 -5.487 1.00 34.01 H new ATOM 0 HG1 THR A 71 22.213 -5.242 -7.569 1.00 62.22 H new ATOM 0 HG21 THR A 71 19.893 -5.020 -7.038 1.00 53.43 H new ATOM 0 HG22 THR A 71 19.414 -3.589 -6.096 1.00 53.43 H new ATOM 0 HG23 THR A 71 19.916 -3.409 -7.793 1.00 53.43 H new ATOM 1155 N TYR A 72 24.048 -2.212 -5.189 1.00 51.44 N ATOM 1156 CA TYR A 72 25.022 -2.107 -4.109 1.00 50.55 C ATOM 1157 C TYR A 72 24.859 -0.790 -3.355 1.00 64.33 C ATOM 1158 O TYR A 72 24.883 -0.760 -2.125 1.00 5.12 O ATOM 1159 CB TYR A 72 26.443 -2.217 -4.664 1.00 23.42 C ATOM 1160 CG TYR A 72 27.516 -1.896 -3.648 1.00 41.42 C ATOM 1161 CD1 TYR A 72 27.877 -2.817 -2.673 1.00 72.43 C ATOM 1162 CD2 TYR A 72 28.170 -0.670 -3.664 1.00 50.53 C ATOM 1163 CE1 TYR A 72 28.856 -2.527 -1.743 1.00 71.10 C ATOM 1164 CE2 TYR A 72 29.151 -0.371 -2.739 1.00 24.21 C ATOM 1165 CZ TYR A 72 29.490 -1.303 -1.780 1.00 44.10 C ATOM 1166 OH TYR A 72 30.467 -1.010 -0.856 1.00 22.50 O ATOM 0 H TYR A 72 24.457 -2.327 -6.116 1.00 51.44 H new ATOM 0 HA TYR A 72 24.846 -2.927 -3.413 1.00 50.55 H new ATOM 0 HB2 TYR A 72 26.600 -3.228 -5.039 1.00 23.42 H new ATOM 0 HB3 TYR A 72 26.545 -1.542 -5.514 1.00 23.42 H new ATOM 0 HD1 TYR A 72 27.383 -3.777 -2.642 1.00 72.43 H new ATOM 0 HD2 TYR A 72 27.906 0.062 -4.413 1.00 50.53 H new ATOM 0 HE1 TYR A 72 29.123 -3.255 -0.991 1.00 71.10 H new ATOM 0 HE2 TYR A 72 29.650 0.587 -2.766 1.00 24.21 H new ATOM 0 HH TYR A 72 30.814 -0.108 -1.021 1.00 22.50 H new ATOM 1176 N ASP A 73 24.693 0.295 -4.103 1.00 3.34 N ATOM 1177 CA ASP A 73 24.525 1.615 -3.507 1.00 13.55 C ATOM 1178 C ASP A 73 23.182 1.721 -2.791 1.00 32.14 C ATOM 1179 O ASP A 73 22.126 1.674 -3.421 1.00 54.44 O ATOM 1180 CB ASP A 73 24.631 2.700 -4.579 1.00 44.43 C ATOM 1181 CG ASP A 73 24.846 4.080 -3.988 1.00 73.13 C ATOM 1182 OD1 ASP A 73 24.780 4.211 -2.748 1.00 3.11 O ATOM 1183 OD2 ASP A 73 25.080 5.028 -4.766 1.00 52.21 O ATOM 0 H ASP A 73 24.671 0.287 -5.123 1.00 3.34 H new ATOM 0 HA ASP A 73 25.320 1.759 -2.775 1.00 13.55 H new ATOM 0 HB2 ASP A 73 25.456 2.463 -5.251 1.00 44.43 H new ATOM 0 HB3 ASP A 73 23.722 2.703 -5.180 1.00 44.43 H new ATOM 1188 N ARG A 74 23.231 1.862 -1.470 1.00 15.00 N ATOM 1189 CA ARG A 74 22.018 1.972 -0.668 1.00 71.41 C ATOM 1190 C ARG A 74 21.149 3.129 -1.152 1.00 72.40 C ATOM 1191 O ARG A 74 19.938 3.141 -0.933 1.00 40.20 O ATOM 1192 CB ARG A 74 22.372 2.168 0.807 1.00 44.30 C ATOM 1193 CG ARG A 74 22.846 3.574 1.137 1.00 5.22 C ATOM 1194 CD ARG A 74 24.236 3.839 0.579 1.00 51.23 C ATOM 1195 NE ARG A 74 25.185 2.795 0.955 1.00 43.21 N ATOM 1196 CZ ARG A 74 26.372 2.639 0.379 1.00 71.32 C ATOM 1197 NH1 ARG A 74 26.753 3.454 -0.594 1.00 52.55 N ATOM 1198 NH2 ARG A 74 27.181 1.665 0.777 1.00 74.35 N ATOM 0 H ARG A 74 24.097 1.903 -0.933 1.00 15.00 H new ATOM 0 HA ARG A 74 21.454 1.046 -0.779 1.00 71.41 H new ATOM 0 HB2 ARG A 74 21.498 1.936 1.416 1.00 44.30 H new ATOM 0 HB3 ARG A 74 23.151 1.457 1.083 1.00 44.30 H new ATOM 0 HG2 ARG A 74 22.144 4.301 0.728 1.00 5.22 H new ATOM 0 HG3 ARG A 74 22.854 3.712 2.218 1.00 5.22 H new ATOM 0 HD2 ARG A 74 24.183 3.907 -0.508 1.00 51.23 H new ATOM 0 HD3 ARG A 74 24.595 4.802 0.942 1.00 51.23 H new ATOM 0 HE ARG A 74 24.922 2.150 1.701 1.00 43.21 H new ATOM 0 HH11 ARG A 74 26.134 4.204 -0.903 1.00 52.55 H new ATOM 0 HH12 ARG A 74 27.665 3.331 -1.034 1.00 52.55 H new ATOM 0 HH21 ARG A 74 26.892 1.036 1.526 1.00 74.35 H new ATOM 0 HH22 ARG A 74 28.092 1.546 0.334 1.00 74.35 H new ATOM 1212 N GLU A 75 21.776 4.098 -1.810 1.00 42.51 N ATOM 1213 CA GLU A 75 21.059 5.260 -2.323 1.00 45.04 C ATOM 1214 C GLU A 75 20.081 4.854 -3.421 1.00 74.03 C ATOM 1215 O GLU A 75 18.888 5.147 -3.342 1.00 71.22 O ATOM 1216 CB GLU A 75 22.046 6.298 -2.863 1.00 13.34 C ATOM 1217 CG GLU A 75 22.348 7.418 -1.881 1.00 52.11 C ATOM 1218 CD GLU A 75 23.081 8.578 -2.527 1.00 24.43 C ATOM 1219 OE1 GLU A 75 24.329 8.542 -2.564 1.00 43.12 O ATOM 1220 OE2 GLU A 75 22.408 9.520 -2.994 1.00 25.11 O ATOM 0 H GLU A 75 22.778 4.102 -2.001 1.00 42.51 H new ATOM 0 HA GLU A 75 20.494 5.699 -1.501 1.00 45.04 H new ATOM 0 HB2 GLU A 75 22.977 5.798 -3.129 1.00 13.34 H new ATOM 0 HB3 GLU A 75 21.643 6.728 -3.780 1.00 13.34 H new ATOM 0 HG2 GLU A 75 21.415 7.778 -1.448 1.00 52.11 H new ATOM 0 HG3 GLU A 75 22.949 7.025 -1.061 1.00 52.11 H new ATOM 1227 N GLN A 76 20.595 4.179 -4.444 1.00 73.32 N ATOM 1228 CA GLN A 76 19.766 3.734 -5.559 1.00 24.34 C ATOM 1229 C GLN A 76 18.643 2.824 -5.072 1.00 55.55 C ATOM 1230 O GLN A 76 17.464 3.109 -5.285 1.00 72.12 O ATOM 1231 CB GLN A 76 20.620 3.000 -6.595 1.00 13.23 C ATOM 1232 CG GLN A 76 21.790 3.822 -7.110 1.00 65.51 C ATOM 1233 CD GLN A 76 21.697 4.102 -8.597 1.00 11.10 C ATOM 1234 OE1 GLN A 76 22.807 3.927 -9.304 1.00 41.31 O flip ATOM 1235 NE2 GLN A 76 20.638 4.472 -9.105 1.00 3.12 N flip ATOM 0 H GLN A 76 21.580 3.928 -4.524 1.00 73.32 H new ATOM 0 HA GLN A 76 19.321 4.614 -6.023 1.00 24.34 H new ATOM 0 HB2 GLN A 76 21.000 2.079 -6.154 1.00 13.23 H new ATOM 0 HB3 GLN A 76 19.989 2.714 -7.437 1.00 13.23 H new ATOM 0 HG2 GLN A 76 21.832 4.767 -6.568 1.00 65.51 H new ATOM 0 HG3 GLN A 76 22.720 3.294 -6.901 1.00 65.51 H new ATOM 0 HE21 GLN A 76 19.809 4.594 -8.524 1.00 3.12 H new ATOM 0 HE22 GLN A 76 20.590 4.657 -10.107 1.00 3.12 H new ATOM 1244 N VAL A 77 19.015 1.729 -4.419 1.00 23.33 N ATOM 1245 CA VAL A 77 18.039 0.778 -3.901 1.00 73.45 C ATOM 1246 C VAL A 77 16.979 1.480 -3.060 1.00 43.52 C ATOM 1247 O VAL A 77 15.825 1.056 -3.016 1.00 23.54 O ATOM 1248 CB VAL A 77 18.714 -0.313 -3.050 1.00 24.34 C ATOM 1249 CG1 VAL A 77 18.769 0.107 -1.589 1.00 32.12 C ATOM 1250 CG2 VAL A 77 17.984 -1.639 -3.205 1.00 11.41 C ATOM 0 H VAL A 77 19.986 1.478 -4.236 1.00 23.33 H new ATOM 0 HA VAL A 77 17.564 0.312 -4.764 1.00 73.45 H new ATOM 0 HB VAL A 77 19.736 -0.444 -3.404 1.00 24.34 H new ATOM 0 HG11 VAL A 77 19.249 -0.677 -1.003 1.00 32.12 H new ATOM 0 HG12 VAL A 77 19.340 1.031 -1.497 1.00 32.12 H new ATOM 0 HG13 VAL A 77 17.757 0.268 -1.218 1.00 32.12 H new ATOM 0 HG21 VAL A 77 18.475 -2.398 -2.596 1.00 11.41 H new ATOM 0 HG22 VAL A 77 16.950 -1.525 -2.879 1.00 11.41 H new ATOM 0 HG23 VAL A 77 18.003 -1.945 -4.251 1.00 11.41 H new ATOM 1260 N MET A 78 17.380 2.559 -2.395 1.00 33.25 N ATOM 1261 CA MET A 78 16.464 3.322 -1.555 1.00 55.43 C ATOM 1262 C MET A 78 15.419 4.040 -2.404 1.00 41.41 C ATOM 1263 O MET A 78 14.219 3.935 -2.150 1.00 51.45 O ATOM 1264 CB MET A 78 17.237 4.337 -0.711 1.00 12.10 C ATOM 1265 CG MET A 78 17.524 3.858 0.703 1.00 54.31 C ATOM 1266 SD MET A 78 18.078 5.188 1.787 1.00 25.33 S ATOM 1267 CE MET A 78 19.856 5.023 1.643 1.00 61.12 C ATOM 0 H MET A 78 18.332 2.924 -2.422 1.00 33.25 H new ATOM 0 HA MET A 78 15.952 2.625 -0.892 1.00 55.43 H new ATOM 0 HB2 MET A 78 18.180 4.566 -1.207 1.00 12.10 H new ATOM 0 HB3 MET A 78 16.668 5.266 -0.663 1.00 12.10 H new ATOM 0 HG2 MET A 78 16.624 3.406 1.119 1.00 54.31 H new ATOM 0 HG3 MET A 78 18.286 3.079 0.671 1.00 54.31 H new ATOM 0 HE1 MET A 78 20.338 5.540 2.473 1.00 61.12 H new ATOM 0 HE2 MET A 78 20.127 3.967 1.667 1.00 61.12 H new ATOM 0 HE3 MET A 78 20.187 5.461 0.702 1.00 61.12 H new ATOM 1277 N LYS A 79 15.883 4.770 -3.413 1.00 1.53 N ATOM 1278 CA LYS A 79 14.990 5.506 -4.300 1.00 72.41 C ATOM 1279 C LYS A 79 13.975 4.569 -4.949 1.00 4.23 C ATOM 1280 O LYS A 79 12.790 4.890 -5.038 1.00 72.40 O ATOM 1281 CB LYS A 79 15.795 6.231 -5.381 1.00 74.42 C ATOM 1282 CG LYS A 79 16.670 7.348 -4.841 1.00 62.12 C ATOM 1283 CD LYS A 79 17.896 7.567 -5.713 1.00 34.24 C ATOM 1284 CE LYS A 79 18.862 8.555 -5.077 1.00 60.33 C ATOM 1285 NZ LYS A 79 18.458 9.966 -5.328 1.00 74.33 N ATOM 0 H LYS A 79 16.873 4.868 -3.637 1.00 1.53 H new ATOM 0 HA LYS A 79 14.450 6.241 -3.703 1.00 72.41 H new ATOM 0 HB2 LYS A 79 16.423 5.508 -5.901 1.00 74.42 H new ATOM 0 HB3 LYS A 79 15.107 6.644 -6.119 1.00 74.42 H new ATOM 0 HG2 LYS A 79 16.092 8.270 -4.786 1.00 62.12 H new ATOM 0 HG3 LYS A 79 16.983 7.107 -3.825 1.00 62.12 H new ATOM 0 HD2 LYS A 79 18.402 6.616 -5.877 1.00 34.24 H new ATOM 0 HD3 LYS A 79 17.587 7.936 -6.691 1.00 34.24 H new ATOM 0 HE2 LYS A 79 18.909 8.376 -4.003 1.00 60.33 H new ATOM 0 HE3 LYS A 79 19.864 8.388 -5.472 1.00 60.33 H new ATOM 0 HZ1 LYS A 79 19.142 10.608 -4.878 1.00 74.33 H new ATOM 0 HZ2 LYS A 79 18.438 10.144 -6.352 1.00 74.33 H new ATOM 0 HZ3 LYS A 79 17.512 10.133 -4.929 1.00 74.33 H new ATOM 1299 N ILE A 80 14.448 3.412 -5.398 1.00 64.30 N ATOM 1300 CA ILE A 80 13.581 2.429 -6.035 1.00 64.55 C ATOM 1301 C ILE A 80 12.543 1.894 -5.055 1.00 54.04 C ATOM 1302 O ILE A 80 11.343 1.922 -5.331 1.00 12.03 O ATOM 1303 CB ILE A 80 14.391 1.248 -6.603 1.00 22.54 C ATOM 1304 CG1 ILE A 80 15.144 1.676 -7.864 1.00 73.21 C ATOM 1305 CG2 ILE A 80 13.474 0.071 -6.900 1.00 71.13 C ATOM 1306 CD1 ILE A 80 16.645 1.723 -7.685 1.00 50.42 C ATOM 0 H ILE A 80 15.427 3.132 -5.333 1.00 64.30 H new ATOM 0 HA ILE A 80 13.074 2.939 -6.854 1.00 64.55 H new ATOM 0 HB ILE A 80 15.121 0.935 -5.856 1.00 22.54 H new ATOM 0 HG12 ILE A 80 14.904 0.985 -8.673 1.00 73.21 H new ATOM 0 HG13 ILE A 80 14.792 2.661 -8.171 1.00 73.21 H new ATOM 0 HG21 ILE A 80 14.061 -0.755 -7.301 1.00 71.13 H new ATOM 0 HG22 ILE A 80 12.980 -0.246 -5.982 1.00 71.13 H new ATOM 0 HG23 ILE A 80 12.723 0.370 -7.631 1.00 71.13 H new ATOM 0 HD11 ILE A 80 17.113 2.034 -8.619 1.00 50.42 H new ATOM 0 HD12 ILE A 80 16.896 2.435 -6.899 1.00 50.42 H new ATOM 0 HD13 ILE A 80 17.010 0.734 -7.408 1.00 50.42 H new ATOM 1318 N ILE A 81 13.012 1.409 -3.911 1.00 13.54 N ATOM 1319 CA ILE A 81 12.123 0.871 -2.888 1.00 50.52 C ATOM 1320 C ILE A 81 11.132 1.927 -2.411 1.00 13.24 C ATOM 1321 O ILE A 81 9.973 1.622 -2.127 1.00 2.35 O ATOM 1322 CB ILE A 81 12.913 0.341 -1.678 1.00 25.24 C ATOM 1323 CG1 ILE A 81 13.722 -0.897 -2.072 1.00 4.32 C ATOM 1324 CG2 ILE A 81 11.970 0.020 -0.528 1.00 72.44 C ATOM 1325 CD1 ILE A 81 14.645 -1.389 -0.979 1.00 35.24 C ATOM 0 H ILE A 81 14.002 1.377 -3.669 1.00 13.54 H new ATOM 0 HA ILE A 81 11.578 0.045 -3.346 1.00 50.52 H new ATOM 0 HB ILE A 81 13.606 1.115 -1.348 1.00 25.24 H new ATOM 0 HG12 ILE A 81 13.035 -1.698 -2.344 1.00 4.32 H new ATOM 0 HG13 ILE A 81 14.312 -0.668 -2.959 1.00 4.32 H new ATOM 0 HG21 ILE A 81 12.544 -0.354 0.320 1.00 72.44 H new ATOM 0 HG22 ILE A 81 11.434 0.923 -0.234 1.00 72.44 H new ATOM 0 HG23 ILE A 81 11.255 -0.739 -0.845 1.00 72.44 H new ATOM 0 HD11 ILE A 81 15.186 -2.268 -1.328 1.00 35.24 H new ATOM 0 HD12 ILE A 81 15.356 -0.604 -0.722 1.00 35.24 H new ATOM 0 HD13 ILE A 81 14.059 -1.650 -0.098 1.00 35.24 H new ATOM 1337 N ASP A 82 11.594 3.170 -2.326 1.00 61.33 N ATOM 1338 CA ASP A 82 10.747 4.272 -1.886 1.00 4.40 C ATOM 1339 C ASP A 82 9.708 4.617 -2.948 1.00 45.54 C ATOM 1340 O ASP A 82 8.514 4.683 -2.662 1.00 55.24 O ATOM 1341 CB ASP A 82 11.599 5.503 -1.569 1.00 63.43 C ATOM 1342 CG ASP A 82 10.763 6.688 -1.128 1.00 23.44 C ATOM 1343 OD1 ASP A 82 10.325 7.463 -2.002 1.00 45.45 O ATOM 1344 OD2 ASP A 82 10.547 6.840 0.093 1.00 25.33 O ATOM 0 H ASP A 82 12.551 3.439 -2.556 1.00 61.33 H new ATOM 0 HA ASP A 82 10.225 3.958 -0.982 1.00 4.40 H new ATOM 0 HB2 ASP A 82 12.314 5.254 -0.784 1.00 63.43 H new ATOM 0 HB3 ASP A 82 12.177 5.778 -2.451 1.00 63.43 H new ATOM 1349 N GLU A 83 10.173 4.838 -4.174 1.00 65.11 N ATOM 1350 CA GLU A 83 9.284 5.178 -5.278 1.00 53.31 C ATOM 1351 C GLU A 83 8.275 4.061 -5.528 1.00 51.02 C ATOM 1352 O GLU A 83 7.070 4.303 -5.605 1.00 21.12 O ATOM 1353 CB GLU A 83 10.092 5.445 -6.550 1.00 33.11 C ATOM 1354 CG GLU A 83 10.653 6.854 -6.630 1.00 41.51 C ATOM 1355 CD GLU A 83 9.569 7.915 -6.637 1.00 21.35 C ATOM 1356 OE1 GLU A 83 8.993 8.168 -7.715 1.00 12.32 O ATOM 1357 OE2 GLU A 83 9.297 8.491 -5.562 1.00 61.22 O ATOM 0 H GLU A 83 11.160 4.788 -4.427 1.00 65.11 H new ATOM 0 HA GLU A 83 8.739 6.082 -5.006 1.00 53.31 H new ATOM 0 HB2 GLU A 83 10.915 4.732 -6.604 1.00 33.11 H new ATOM 0 HB3 GLU A 83 9.457 5.266 -7.418 1.00 33.11 H new ATOM 0 HG2 GLU A 83 11.318 7.025 -5.783 1.00 41.51 H new ATOM 0 HG3 GLU A 83 11.256 6.950 -7.533 1.00 41.51 H new ATOM 1364 N PHE A 84 8.776 2.837 -5.655 1.00 61.22 N ATOM 1365 CA PHE A 84 7.920 1.682 -5.898 1.00 71.43 C ATOM 1366 C PHE A 84 7.047 1.386 -4.682 1.00 52.33 C ATOM 1367 O PHE A 84 6.071 0.640 -4.770 1.00 43.30 O ATOM 1368 CB PHE A 84 8.768 0.455 -6.242 1.00 12.04 C ATOM 1369 CG PHE A 84 9.294 0.465 -7.648 1.00 63.22 C ATOM 1370 CD1 PHE A 84 10.128 1.482 -8.083 1.00 5.23 C ATOM 1371 CD2 PHE A 84 8.955 -0.543 -8.536 1.00 75.21 C ATOM 1372 CE1 PHE A 84 10.615 1.494 -9.376 1.00 41.04 C ATOM 1373 CE2 PHE A 84 9.438 -0.537 -9.831 1.00 3.23 C ATOM 1374 CZ PHE A 84 10.269 0.484 -10.252 1.00 34.42 C ATOM 0 H PHE A 84 9.771 2.619 -5.594 1.00 61.22 H new ATOM 0 HA PHE A 84 7.270 1.914 -6.742 1.00 71.43 H new ATOM 0 HB2 PHE A 84 9.607 0.398 -5.549 1.00 12.04 H new ATOM 0 HB3 PHE A 84 8.170 -0.444 -6.093 1.00 12.04 H new ATOM 0 HD1 PHE A 84 10.401 2.275 -7.403 1.00 5.23 H new ATOM 0 HD2 PHE A 84 8.306 -1.343 -8.212 1.00 75.21 H new ATOM 0 HE1 PHE A 84 11.266 2.292 -9.701 1.00 41.04 H new ATOM 0 HE2 PHE A 84 9.166 -1.329 -10.513 1.00 3.23 H new ATOM 0 HZ PHE A 84 10.647 0.492 -11.264 1.00 34.42 H new ATOM 1384 N LYS A 85 7.405 1.977 -3.547 1.00 71.50 N ATOM 1385 CA LYS A 85 6.656 1.779 -2.312 1.00 34.11 C ATOM 1386 C LYS A 85 6.595 0.300 -1.943 1.00 3.22 C ATOM 1387 O LYS A 85 5.519 -0.244 -1.695 1.00 13.40 O ATOM 1388 CB LYS A 85 5.238 2.338 -2.456 1.00 63.31 C ATOM 1389 CG LYS A 85 5.190 3.852 -2.568 1.00 71.34 C ATOM 1390 CD LYS A 85 5.272 4.515 -1.204 1.00 1.02 C ATOM 1391 CE LYS A 85 5.638 5.987 -1.321 1.00 31.34 C ATOM 1392 NZ LYS A 85 4.432 6.848 -1.473 1.00 64.40 N ATOM 0 H LYS A 85 8.210 2.597 -3.457 1.00 71.50 H new ATOM 0 HA LYS A 85 7.172 2.313 -1.514 1.00 34.11 H new ATOM 0 HB2 LYS A 85 4.772 1.902 -3.340 1.00 63.31 H new ATOM 0 HB3 LYS A 85 4.645 2.027 -1.596 1.00 63.31 H new ATOM 0 HG2 LYS A 85 6.014 4.198 -3.192 1.00 71.34 H new ATOM 0 HG3 LYS A 85 4.267 4.152 -3.064 1.00 71.34 H new ATOM 0 HD2 LYS A 85 4.315 4.417 -0.692 1.00 1.02 H new ATOM 0 HD3 LYS A 85 6.014 4.002 -0.593 1.00 1.02 H new ATOM 0 HE2 LYS A 85 6.194 6.294 -0.436 1.00 31.34 H new ATOM 0 HE3 LYS A 85 6.297 6.130 -2.177 1.00 31.34 H new ATOM 0 HZ1 LYS A 85 4.723 7.843 -1.550 1.00 64.40 H new ATOM 0 HZ2 LYS A 85 3.914 6.572 -2.332 1.00 64.40 H new ATOM 0 HZ3 LYS A 85 3.815 6.731 -0.644 1.00 64.40 H new ATOM 1406 N ILE A 86 7.757 -0.344 -1.907 1.00 10.22 N ATOM 1407 CA ILE A 86 7.835 -1.759 -1.565 1.00 42.41 C ATOM 1408 C ILE A 86 7.712 -1.968 -0.060 1.00 32.33 C ATOM 1409 O ILE A 86 8.379 -1.312 0.740 1.00 12.23 O ATOM 1410 CB ILE A 86 9.156 -2.383 -2.052 1.00 71.35 C ATOM 1411 CG1 ILE A 86 9.417 -2.004 -3.511 1.00 42.44 C ATOM 1412 CG2 ILE A 86 9.118 -3.896 -1.892 1.00 14.32 C ATOM 1413 CD1 ILE A 86 10.743 -2.506 -4.039 1.00 31.24 C ATOM 0 H ILE A 86 8.657 0.091 -2.110 1.00 10.22 H new ATOM 0 HA ILE A 86 7.002 -2.252 -2.067 1.00 42.41 H new ATOM 0 HB ILE A 86 9.971 -1.992 -1.443 1.00 71.35 H new ATOM 0 HG12 ILE A 86 8.614 -2.403 -4.131 1.00 42.44 H new ATOM 0 HG13 ILE A 86 9.384 -0.919 -3.607 1.00 42.44 H new ATOM 0 HG21 ILE A 86 10.059 -4.322 -2.241 1.00 14.32 H new ATOM 0 HG22 ILE A 86 8.973 -4.147 -0.841 1.00 14.32 H new ATOM 0 HG23 ILE A 86 8.295 -4.303 -2.479 1.00 14.32 H new ATOM 0 HD11 ILE A 86 10.860 -2.200 -5.079 1.00 31.24 H new ATOM 0 HD12 ILE A 86 11.554 -2.086 -3.444 1.00 31.24 H new ATOM 0 HD13 ILE A 86 10.772 -3.594 -3.975 1.00 31.24 H new ATOM 1425 N PRO A 87 6.839 -2.907 0.337 1.00 4.54 N ATOM 1426 CA PRO A 87 6.609 -3.227 1.749 1.00 5.34 C ATOM 1427 C PRO A 87 7.804 -3.928 2.387 1.00 61.13 C ATOM 1428 O PRO A 87 8.569 -4.615 1.709 1.00 71.24 O ATOM 1429 CB PRO A 87 5.399 -4.163 1.708 1.00 2.12 C ATOM 1430 CG PRO A 87 5.442 -4.778 0.352 1.00 51.10 C ATOM 1431 CD PRO A 87 6.011 -3.727 -0.561 1.00 73.43 C ATOM 0 HA PRO A 87 6.452 -2.331 2.350 1.00 5.34 H new ATOM 0 HB2 PRO A 87 5.458 -4.921 2.489 1.00 2.12 H new ATOM 0 HB3 PRO A 87 4.470 -3.616 1.865 1.00 2.12 H new ATOM 0 HG2 PRO A 87 6.062 -5.674 0.349 1.00 51.10 H new ATOM 0 HG3 PRO A 87 4.446 -5.079 0.028 1.00 51.10 H new ATOM 0 HD2 PRO A 87 6.604 -4.169 -1.362 1.00 73.43 H new ATOM 0 HD3 PRO A 87 5.225 -3.137 -1.034 1.00 73.43 H new ATOM 1439 N THR A 88 7.959 -3.751 3.695 1.00 25.42 N ATOM 1440 CA THR A 88 9.061 -4.367 4.424 1.00 44.30 C ATOM 1441 C THR A 88 8.738 -5.809 4.795 1.00 73.52 C ATOM 1442 O THR A 88 7.602 -6.260 4.643 1.00 62.31 O ATOM 1443 CB THR A 88 9.395 -3.581 5.706 1.00 33.45 C ATOM 1444 OG1 THR A 88 8.490 -2.482 5.857 1.00 50.33 O ATOM 1445 CG2 THR A 88 10.826 -3.066 5.669 1.00 75.00 C ATOM 0 H THR A 88 7.335 -3.186 4.272 1.00 25.42 H new ATOM 0 HA THR A 88 9.926 -4.351 3.761 1.00 44.30 H new ATOM 0 HB THR A 88 9.291 -4.255 6.556 1.00 33.45 H new ATOM 0 HG1 THR A 88 8.708 -1.989 6.675 1.00 50.33 H new ATOM 0 HG21 THR A 88 11.038 -2.514 6.585 1.00 75.00 H new ATOM 0 HG22 THR A 88 11.514 -3.908 5.585 1.00 75.00 H new ATOM 0 HG23 THR A 88 10.953 -2.406 4.811 1.00 75.00 H new ATOM 1453 N VAL A 89 9.743 -6.530 5.283 1.00 55.01 N ATOM 1454 CA VAL A 89 9.564 -7.922 5.678 1.00 70.15 C ATOM 1455 C VAL A 89 8.386 -8.076 6.633 1.00 1.32 C ATOM 1456 O VAL A 89 7.469 -8.856 6.382 1.00 32.41 O ATOM 1457 CB VAL A 89 10.832 -8.482 6.349 1.00 70.31 C ATOM 1458 CG1 VAL A 89 10.610 -9.920 6.793 1.00 25.02 C ATOM 1459 CG2 VAL A 89 12.021 -8.384 5.405 1.00 23.35 C ATOM 0 H VAL A 89 10.689 -6.173 5.414 1.00 55.01 H new ATOM 0 HA VAL A 89 9.364 -8.486 4.767 1.00 70.15 H new ATOM 0 HB VAL A 89 11.049 -7.883 7.234 1.00 70.31 H new ATOM 0 HG11 VAL A 89 11.516 -10.299 7.265 1.00 25.02 H new ATOM 0 HG12 VAL A 89 9.787 -9.958 7.506 1.00 25.02 H new ATOM 0 HG13 VAL A 89 10.368 -10.535 5.926 1.00 25.02 H new ATOM 0 HG21 VAL A 89 12.909 -8.784 5.895 1.00 23.35 H new ATOM 0 HG22 VAL A 89 11.816 -8.957 4.501 1.00 23.35 H new ATOM 0 HG23 VAL A 89 12.191 -7.340 5.142 1.00 23.35 H new ATOM 1469 N GLU A 90 8.419 -7.325 7.730 1.00 51.23 N ATOM 1470 CA GLU A 90 7.353 -7.378 8.724 1.00 62.34 C ATOM 1471 C GLU A 90 5.989 -7.183 8.069 1.00 14.11 C ATOM 1472 O GLU A 90 5.045 -7.922 8.347 1.00 13.11 O ATOM 1473 CB GLU A 90 7.573 -6.311 9.798 1.00 64.21 C ATOM 1474 CG GLU A 90 8.487 -6.762 10.925 1.00 11.12 C ATOM 1475 CD GLU A 90 8.669 -5.697 11.990 1.00 70.34 C ATOM 1476 OE1 GLU A 90 7.858 -5.664 12.939 1.00 42.20 O ATOM 1477 OE2 GLU A 90 9.621 -4.898 11.873 1.00 22.14 O ATOM 0 H GLU A 90 9.172 -6.673 7.953 1.00 51.23 H new ATOM 0 HA GLU A 90 7.375 -8.363 9.191 1.00 62.34 H new ATOM 0 HB2 GLU A 90 7.996 -5.421 9.333 1.00 64.21 H new ATOM 0 HB3 GLU A 90 6.608 -6.024 10.216 1.00 64.21 H new ATOM 0 HG2 GLU A 90 8.076 -7.662 11.383 1.00 11.12 H new ATOM 0 HG3 GLU A 90 9.460 -7.029 10.514 1.00 11.12 H new ATOM 1484 N GLN A 91 5.894 -6.182 7.199 1.00 31.24 N ATOM 1485 CA GLN A 91 4.645 -5.889 6.506 1.00 0.35 C ATOM 1486 C GLN A 91 4.187 -7.085 5.680 1.00 71.54 C ATOM 1487 O GLN A 91 3.004 -7.426 5.665 1.00 0.13 O ATOM 1488 CB GLN A 91 4.813 -4.665 5.604 1.00 2.24 C ATOM 1489 CG GLN A 91 5.424 -3.466 6.313 1.00 73.33 C ATOM 1490 CD GLN A 91 4.666 -3.083 7.569 1.00 45.32 C ATOM 1491 OE1 GLN A 91 3.462 -3.316 7.677 1.00 2.32 O ATOM 1492 NE2 GLN A 91 5.370 -2.491 8.527 1.00 0.00 N ATOM 0 H GLN A 91 6.666 -5.561 6.958 1.00 31.24 H new ATOM 0 HA GLN A 91 3.884 -5.677 7.257 1.00 0.35 H new ATOM 0 HB2 GLN A 91 5.441 -4.933 4.755 1.00 2.24 H new ATOM 0 HB3 GLN A 91 3.839 -4.383 5.204 1.00 2.24 H new ATOM 0 HG2 GLN A 91 6.459 -3.690 6.572 1.00 73.33 H new ATOM 0 HG3 GLN A 91 5.443 -2.616 5.631 1.00 73.33 H new ATOM 0 HE21 GLN A 91 6.366 -2.317 8.395 1.00 0.00 H new ATOM 0 HE22 GLN A 91 4.914 -2.210 9.395 1.00 0.00 H new ATOM 1501 N TRP A 92 5.130 -7.719 4.992 1.00 4.04 N ATOM 1502 CA TRP A 92 4.823 -8.878 4.162 1.00 31.23 C ATOM 1503 C TRP A 92 4.339 -10.046 5.015 1.00 13.52 C ATOM 1504 O TRP A 92 3.434 -10.782 4.621 1.00 22.24 O ATOM 1505 CB TRP A 92 6.054 -9.295 3.357 1.00 64.43 C ATOM 1506 CG TRP A 92 5.783 -10.409 2.391 1.00 23.33 C ATOM 1507 CD1 TRP A 92 4.891 -10.399 1.357 1.00 2.24 C ATOM 1508 CD2 TRP A 92 6.408 -11.697 2.372 1.00 71.51 C ATOM 1509 NE1 TRP A 92 4.924 -11.603 0.696 1.00 34.03 N ATOM 1510 CE2 TRP A 92 5.846 -12.417 1.299 1.00 44.54 C ATOM 1511 CE3 TRP A 92 7.388 -12.313 3.155 1.00 1.31 C ATOM 1512 CZ2 TRP A 92 6.233 -13.719 0.992 1.00 0.51 C ATOM 1513 CZ3 TRP A 92 7.770 -13.605 2.850 1.00 65.12 C ATOM 1514 CH2 TRP A 92 7.195 -14.296 1.776 1.00 74.44 C ATOM 0 H TRP A 92 6.114 -7.450 4.993 1.00 4.04 H new ATOM 0 HA TRP A 92 4.025 -8.599 3.474 1.00 31.23 H new ATOM 0 HB2 TRP A 92 6.430 -8.431 2.808 1.00 64.43 H new ATOM 0 HB3 TRP A 92 6.841 -9.603 4.045 1.00 64.43 H new ATOM 0 HD1 TRP A 92 4.253 -9.567 1.097 1.00 2.24 H new ATOM 0 HE1 TRP A 92 4.354 -11.851 -0.113 1.00 34.03 H new ATOM 0 HE3 TRP A 92 7.839 -11.788 3.984 1.00 1.31 H new ATOM 0 HZ2 TRP A 92 5.790 -14.254 0.165 1.00 0.51 H new ATOM 0 HZ3 TRP A 92 8.525 -14.091 3.450 1.00 65.12 H new ATOM 0 HH2 TRP A 92 7.517 -15.304 1.562 1.00 74.44 H new ATOM 1525 N LYS A 93 4.946 -10.209 6.186 1.00 73.23 N ATOM 1526 CA LYS A 93 4.576 -11.286 7.096 1.00 34.40 C ATOM 1527 C LYS A 93 3.148 -11.106 7.601 1.00 54.32 C ATOM 1528 O LYS A 93 2.342 -12.035 7.558 1.00 74.43 O ATOM 1529 CB LYS A 93 5.544 -11.337 8.280 1.00 12.41 C ATOM 1530 CG LYS A 93 6.997 -11.506 7.871 1.00 73.21 C ATOM 1531 CD LYS A 93 7.392 -12.972 7.814 1.00 63.24 C ATOM 1532 CE LYS A 93 7.659 -13.422 6.385 1.00 3.04 C ATOM 1533 NZ LYS A 93 9.066 -13.159 5.975 1.00 43.42 N ATOM 0 H LYS A 93 5.697 -9.608 6.527 1.00 73.23 H new ATOM 0 HA LYS A 93 4.633 -12.226 6.547 1.00 34.40 H new ATOM 0 HB2 LYS A 93 5.443 -10.420 8.861 1.00 12.41 H new ATOM 0 HB3 LYS A 93 5.261 -12.162 8.934 1.00 12.41 H new ATOM 0 HG2 LYS A 93 7.157 -11.047 6.896 1.00 73.21 H new ATOM 0 HG3 LYS A 93 7.639 -10.982 8.579 1.00 73.21 H new ATOM 0 HD2 LYS A 93 8.283 -13.134 8.420 1.00 63.24 H new ATOM 0 HD3 LYS A 93 6.598 -13.581 8.246 1.00 63.24 H new ATOM 0 HE2 LYS A 93 7.447 -14.487 6.294 1.00 3.04 H new ATOM 0 HE3 LYS A 93 6.980 -12.903 5.708 1.00 3.04 H new ATOM 0 HZ1 LYS A 93 9.098 -12.952 4.956 1.00 43.42 H new ATOM 0 HZ2 LYS A 93 9.436 -12.345 6.506 1.00 43.42 H new ATOM 0 HZ3 LYS A 93 9.649 -13.997 6.176 1.00 43.42 H new ATOM 1547 N ASP A 94 2.841 -9.904 8.077 1.00 21.12 N ATOM 1548 CA ASP A 94 1.509 -9.601 8.588 1.00 61.03 C ATOM 1549 C ASP A 94 0.459 -9.758 7.493 1.00 73.23 C ATOM 1550 O ASP A 94 -0.597 -10.351 7.713 1.00 23.54 O ATOM 1551 CB ASP A 94 1.467 -8.180 9.152 1.00 41.02 C ATOM 1552 CG ASP A 94 1.877 -8.124 10.610 1.00 2.33 C ATOM 1553 OD1 ASP A 94 1.478 -9.027 11.375 1.00 72.24 O ATOM 1554 OD2 ASP A 94 2.598 -7.177 10.987 1.00 3.42 O ATOM 0 H ASP A 94 3.496 -9.124 8.120 1.00 21.12 H new ATOM 0 HA ASP A 94 1.284 -10.307 9.387 1.00 61.03 H new ATOM 0 HB2 ASP A 94 2.128 -7.540 8.567 1.00 41.02 H new ATOM 0 HB3 ASP A 94 0.459 -7.779 9.045 1.00 41.02 H new ATOM 1559 N GLN A 95 0.756 -9.222 6.314 1.00 53.25 N ATOM 1560 CA GLN A 95 -0.164 -9.301 5.185 1.00 34.42 C ATOM 1561 C GLN A 95 -0.472 -10.754 4.835 1.00 44.44 C ATOM 1562 O GLN A 95 -1.634 -11.145 4.725 1.00 31.14 O ATOM 1563 CB GLN A 95 0.424 -8.584 3.969 1.00 74.12 C ATOM 1564 CG GLN A 95 0.148 -7.089 3.952 1.00 22.21 C ATOM 1565 CD GLN A 95 -1.330 -6.769 3.848 1.00 20.32 C ATOM 1566 OE1 GLN A 95 -1.861 -5.974 4.624 1.00 42.21 O ATOM 1567 NE2 GLN A 95 -2.004 -7.389 2.886 1.00 1.32 N ATOM 0 H GLN A 95 1.626 -8.728 6.115 1.00 53.25 H new ATOM 0 HA GLN A 95 -1.094 -8.810 5.471 1.00 34.42 H new ATOM 0 HB2 GLN A 95 1.502 -8.746 3.948 1.00 74.12 H new ATOM 0 HB3 GLN A 95 0.016 -9.031 3.062 1.00 74.12 H new ATOM 0 HG2 GLN A 95 0.550 -6.639 4.860 1.00 22.21 H new ATOM 0 HG3 GLN A 95 0.674 -6.636 3.112 1.00 22.21 H new ATOM 0 HE21 GLN A 95 -1.524 -8.040 2.265 1.00 1.32 H new ATOM 0 HE22 GLN A 95 -3.002 -7.214 2.768 1.00 1.32 H new ATOM 1576 N THR A 96 0.579 -11.550 4.658 1.00 14.35 N ATOM 1577 CA THR A 96 0.421 -12.958 4.319 1.00 65.13 C ATOM 1578 C THR A 96 -0.371 -13.697 5.391 1.00 73.24 C ATOM 1579 O THR A 96 -1.283 -14.465 5.083 1.00 54.30 O ATOM 1580 CB THR A 96 1.787 -13.648 4.139 1.00 73.34 C ATOM 1581 OG1 THR A 96 2.693 -13.215 5.159 1.00 31.43 O ATOM 1582 CG2 THR A 96 2.373 -13.340 2.769 1.00 14.40 C ATOM 0 H THR A 96 1.548 -11.243 4.744 1.00 14.35 H new ATOM 0 HA THR A 96 -0.126 -12.997 3.377 1.00 65.13 H new ATOM 0 HB THR A 96 1.638 -14.725 4.219 1.00 73.34 H new ATOM 0 HG1 THR A 96 3.165 -12.411 4.858 1.00 31.43 H new ATOM 0 HG21 THR A 96 3.337 -13.838 2.665 1.00 14.40 H new ATOM 0 HG22 THR A 96 1.695 -13.698 1.994 1.00 14.40 H new ATOM 0 HG23 THR A 96 2.508 -12.263 2.665 1.00 14.40 H new ATOM 1590 N ARG A 97 -0.018 -13.461 6.650 1.00 52.42 N ATOM 1591 CA ARG A 97 -0.697 -14.105 7.768 1.00 51.24 C ATOM 1592 C ARG A 97 -2.194 -13.809 7.738 1.00 2.02 C ATOM 1593 O ARG A 97 -3.017 -14.706 7.919 1.00 15.25 O ATOM 1594 CB ARG A 97 -0.099 -13.634 9.095 1.00 74.22 C ATOM 1595 CG ARG A 97 1.219 -14.307 9.442 1.00 52.34 C ATOM 1596 CD ARG A 97 0.998 -15.636 10.146 1.00 14.14 C ATOM 1597 NE ARG A 97 2.218 -16.435 10.203 1.00 65.31 N ATOM 1598 CZ ARG A 97 2.278 -17.649 10.740 1.00 60.05 C ATOM 1599 NH1 ARG A 97 1.192 -18.200 11.263 1.00 75.35 N ATOM 1600 NH2 ARG A 97 3.426 -18.314 10.753 1.00 22.12 N ATOM 0 H ARG A 97 0.735 -12.828 6.922 1.00 52.42 H new ATOM 0 HA ARG A 97 -0.555 -15.182 7.676 1.00 51.24 H new ATOM 0 HB2 ARG A 97 0.054 -12.556 9.053 1.00 74.22 H new ATOM 0 HB3 ARG A 97 -0.815 -13.823 9.894 1.00 74.22 H new ATOM 0 HG2 ARG A 97 1.797 -14.468 8.532 1.00 52.34 H new ATOM 0 HG3 ARG A 97 1.807 -13.649 10.081 1.00 52.34 H new ATOM 0 HD2 ARG A 97 0.636 -15.454 11.158 1.00 14.14 H new ATOM 0 HD3 ARG A 97 0.221 -16.197 9.626 1.00 14.14 H new ATOM 0 HE ARG A 97 3.072 -16.040 9.809 1.00 65.31 H new ATOM 0 HH11 ARG A 97 0.308 -17.692 11.254 1.00 75.35 H new ATOM 0 HH12 ARG A 97 1.241 -19.132 11.675 1.00 75.35 H new ATOM 0 HH21 ARG A 97 4.264 -17.893 10.351 1.00 22.12 H new ATOM 0 HH22 ARG A 97 3.471 -19.246 11.165 1.00 22.12 H new ATOM 1614 N ARG A 98 -2.538 -12.546 7.509 1.00 4.23 N ATOM 1615 CA ARG A 98 -3.934 -12.132 7.458 1.00 15.50 C ATOM 1616 C ARG A 98 -4.623 -12.693 6.217 1.00 3.41 C ATOM 1617 O ARG A 98 -5.818 -12.988 6.238 1.00 62.13 O ATOM 1618 CB ARG A 98 -4.036 -10.605 7.465 1.00 75.23 C ATOM 1619 CG ARG A 98 -3.700 -9.978 8.808 1.00 65.14 C ATOM 1620 CD ARG A 98 -4.408 -8.646 8.994 1.00 54.32 C ATOM 1621 NE ARG A 98 -5.852 -8.809 9.138 1.00 34.44 N ATOM 1622 CZ ARG A 98 -6.673 -7.824 9.486 1.00 24.10 C ATOM 1623 NH1 ARG A 98 -6.193 -6.611 9.723 1.00 55.32 N ATOM 1624 NH2 ARG A 98 -7.975 -8.051 9.597 1.00 72.42 N ATOM 0 H ARG A 98 -1.869 -11.792 7.356 1.00 4.23 H new ATOM 0 HA ARG A 98 -4.436 -12.527 8.341 1.00 15.50 H new ATOM 0 HB2 ARG A 98 -3.365 -10.201 6.707 1.00 75.23 H new ATOM 0 HB3 ARG A 98 -5.048 -10.316 7.182 1.00 75.23 H new ATOM 0 HG2 ARG A 98 -3.986 -10.658 9.610 1.00 65.14 H new ATOM 0 HG3 ARG A 98 -2.622 -9.832 8.883 1.00 65.14 H new ATOM 0 HD2 ARG A 98 -4.010 -8.144 9.876 1.00 54.32 H new ATOM 0 HD3 ARG A 98 -4.199 -8.002 8.140 1.00 54.32 H new ATOM 0 HE ARG A 98 -6.253 -9.730 8.962 1.00 34.44 H new ATOM 0 HH11 ARG A 98 -5.192 -6.433 9.638 1.00 55.32 H new ATOM 0 HH12 ARG A 98 -6.825 -5.856 9.990 1.00 55.32 H new ATOM 0 HH21 ARG A 98 -8.348 -8.983 9.415 1.00 72.42 H new ATOM 0 HH22 ARG A 98 -8.604 -7.294 9.864 1.00 72.42 H new ATOM 1638 N TYR A 99 -3.861 -12.836 5.138 1.00 21.05 N ATOM 1639 CA TYR A 99 -4.398 -13.359 3.888 1.00 43.54 C ATOM 1640 C TYR A 99 -4.759 -14.835 4.024 1.00 5.40 C ATOM 1641 O TYR A 99 -5.757 -15.296 3.471 1.00 60.12 O ATOM 1642 CB TYR A 99 -3.385 -13.172 2.756 1.00 31.14 C ATOM 1643 CG TYR A 99 -3.778 -13.866 1.472 1.00 64.42 C ATOM 1644 CD1 TYR A 99 -5.085 -13.815 1.003 1.00 23.31 C ATOM 1645 CD2 TYR A 99 -2.842 -14.574 0.728 1.00 70.25 C ATOM 1646 CE1 TYR A 99 -5.448 -14.449 -0.170 1.00 12.33 C ATOM 1647 CE2 TYR A 99 -3.196 -15.209 -0.447 1.00 32.30 C ATOM 1648 CZ TYR A 99 -4.500 -15.144 -0.891 1.00 54.13 C ATOM 1649 OH TYR A 99 -4.857 -15.776 -2.060 1.00 75.50 O ATOM 0 H TYR A 99 -2.870 -12.597 5.104 1.00 21.05 H new ATOM 0 HA TYR A 99 -5.305 -12.803 3.651 1.00 43.54 H new ATOM 0 HB2 TYR A 99 -3.263 -12.107 2.561 1.00 31.14 H new ATOM 0 HB3 TYR A 99 -2.415 -13.549 3.081 1.00 31.14 H new ATOM 0 HD1 TYR A 99 -5.830 -13.271 1.565 1.00 23.31 H new ATOM 0 HD2 TYR A 99 -1.820 -14.629 1.074 1.00 70.25 H new ATOM 0 HE1 TYR A 99 -6.469 -14.400 -0.520 1.00 12.33 H new ATOM 0 HE2 TYR A 99 -2.456 -15.753 -1.015 1.00 32.30 H new ATOM 0 HH TYR A 99 -4.072 -16.219 -2.445 1.00 75.50 H new ATOM 1659 N LYS A 100 -3.938 -15.571 4.766 1.00 74.22 N ATOM 1660 CA LYS A 100 -4.169 -16.995 4.979 1.00 54.02 C ATOM 1661 C LYS A 100 -5.189 -17.220 6.090 1.00 34.43 C ATOM 1662 O LYS A 100 -5.842 -18.262 6.143 1.00 33.02 O ATOM 1663 CB LYS A 100 -2.856 -17.699 5.327 1.00 71.33 C ATOM 1664 CG LYS A 100 -1.947 -17.917 4.130 1.00 70.24 C ATOM 1665 CD LYS A 100 -2.377 -19.126 3.316 1.00 64.51 C ATOM 1666 CE LYS A 100 -1.468 -19.342 2.115 1.00 2.15 C ATOM 1667 NZ LYS A 100 -1.858 -20.548 1.333 1.00 14.54 N ATOM 0 H LYS A 100 -3.107 -15.205 5.230 1.00 74.22 H new ATOM 0 HA LYS A 100 -4.566 -17.416 4.055 1.00 54.02 H new ATOM 0 HB2 LYS A 100 -2.324 -17.109 6.074 1.00 71.33 H new ATOM 0 HB3 LYS A 100 -3.080 -18.663 5.783 1.00 71.33 H new ATOM 0 HG2 LYS A 100 -1.957 -17.029 3.498 1.00 70.24 H new ATOM 0 HG3 LYS A 100 -0.921 -18.053 4.471 1.00 70.24 H new ATOM 0 HD2 LYS A 100 -2.364 -20.014 3.948 1.00 64.51 H new ATOM 0 HD3 LYS A 100 -3.404 -18.991 2.977 1.00 64.51 H new ATOM 0 HE2 LYS A 100 -1.504 -18.464 1.470 1.00 2.15 H new ATOM 0 HE3 LYS A 100 -0.437 -19.447 2.454 1.00 2.15 H new ATOM 0 HZ1 LYS A 100 -1.215 -20.660 0.524 1.00 14.54 H new ATOM 0 HZ2 LYS A 100 -1.800 -21.390 1.941 1.00 14.54 H new ATOM 0 HZ3 LYS A 100 -2.833 -20.438 0.988 1.00 14.54 H new ATOM 1681 N GLU A 101 -5.321 -16.237 6.975 1.00 53.21 N ATOM 1682 CA GLU A 101 -6.263 -16.329 8.084 1.00 21.44 C ATOM 1683 C GLU A 101 -7.600 -15.691 7.718 1.00 62.40 C ATOM 1684 O GLU A 101 -7.644 -14.612 7.128 1.00 63.02 O ATOM 1685 CB GLU A 101 -5.686 -15.652 9.329 1.00 34.25 C ATOM 1686 CG GLU A 101 -6.746 -15.152 10.296 1.00 35.13 C ATOM 1687 CD GLU A 101 -6.285 -15.194 11.740 1.00 14.33 C ATOM 1688 OE1 GLU A 101 -5.223 -14.610 12.042 1.00 74.14 O ATOM 1689 OE2 GLU A 101 -6.988 -15.810 12.569 1.00 25.11 O ATOM 0 H GLU A 101 -4.788 -15.368 6.945 1.00 53.21 H new ATOM 0 HA GLU A 101 -6.431 -17.385 8.298 1.00 21.44 H new ATOM 0 HB2 GLU A 101 -5.037 -16.357 9.848 1.00 34.25 H new ATOM 0 HB3 GLU A 101 -5.063 -14.813 9.020 1.00 34.25 H new ATOM 0 HG2 GLU A 101 -7.017 -14.129 10.035 1.00 35.13 H new ATOM 0 HG3 GLU A 101 -7.646 -15.758 10.188 1.00 35.13 H new ATOM 1696 N SER A 102 -8.688 -16.367 8.072 1.00 72.40 N ATOM 1697 CA SER A 102 -10.027 -15.870 7.777 1.00 2.20 C ATOM 1698 C SER A 102 -10.256 -15.786 6.271 1.00 63.21 C ATOM 1699 O SER A 102 -10.755 -14.783 5.763 1.00 53.44 O ATOM 1700 CB SER A 102 -10.234 -14.494 8.413 1.00 41.21 C ATOM 1701 OG SER A 102 -11.613 -14.198 8.551 1.00 21.35 O ATOM 0 H SER A 102 -8.669 -17.261 8.564 1.00 72.40 H new ATOM 0 HA SER A 102 -10.749 -16.570 8.198 1.00 2.20 H new ATOM 0 HB2 SER A 102 -9.753 -14.466 9.391 1.00 41.21 H new ATOM 0 HB3 SER A 102 -9.755 -13.731 7.800 1.00 41.21 H new ATOM 0 HG SER A 102 -12.046 -14.240 7.673 1.00 21.35 H new ATOM 1707 N SER A 103 -9.886 -16.849 5.563 1.00 51.42 N ATOM 1708 CA SER A 103 -10.047 -16.895 4.114 1.00 21.42 C ATOM 1709 C SER A 103 -11.520 -16.803 3.728 1.00 40.51 C ATOM 1710 O SER A 103 -12.378 -16.533 4.569 1.00 4.23 O ATOM 1711 CB SER A 103 -9.441 -18.184 3.554 1.00 53.31 C ATOM 1712 OG SER A 103 -8.104 -18.351 3.991 1.00 2.24 O ATOM 0 H SER A 103 -9.473 -17.689 5.969 1.00 51.42 H new ATOM 0 HA SER A 103 -9.523 -16.040 3.687 1.00 21.42 H new ATOM 0 HB2 SER A 103 -10.040 -19.038 3.870 1.00 53.31 H new ATOM 0 HB3 SER A 103 -9.470 -18.160 2.465 1.00 53.31 H new ATOM 0 HG SER A 103 -7.740 -19.182 3.621 1.00 2.24 H new ATOM 1718 N ILE A 104 -11.805 -17.028 2.450 1.00 52.21 N ATOM 1719 CA ILE A 104 -13.174 -16.971 1.952 1.00 43.15 C ATOM 1720 C ILE A 104 -14.102 -17.838 2.795 1.00 54.30 C ATOM 1721 O ILE A 104 -13.702 -18.888 3.295 1.00 62.41 O ATOM 1722 CB ILE A 104 -13.258 -17.427 0.483 1.00 45.22 C ATOM 1723 CG1 ILE A 104 -12.288 -16.618 -0.381 1.00 51.42 C ATOM 1724 CG2 ILE A 104 -14.681 -17.286 -0.035 1.00 71.10 C ATOM 1725 CD1 ILE A 104 -12.500 -15.123 -0.289 1.00 2.33 C ATOM 0 H ILE A 104 -11.107 -17.251 1.741 1.00 52.21 H new ATOM 0 HA ILE A 104 -13.491 -15.930 2.020 1.00 43.15 H new ATOM 0 HB ILE A 104 -12.975 -18.478 0.427 1.00 45.22 H new ATOM 0 HG12 ILE A 104 -11.266 -16.851 -0.081 1.00 51.42 H new ATOM 0 HG13 ILE A 104 -12.394 -16.929 -1.420 1.00 51.42 H new ATOM 0 HG21 ILE A 104 -14.724 -17.612 -1.074 1.00 71.10 H new ATOM 0 HG22 ILE A 104 -15.350 -17.902 0.566 1.00 71.10 H new ATOM 0 HG23 ILE A 104 -14.991 -16.243 0.031 1.00 71.10 H new ATOM 0 HD11 ILE A 104 -11.778 -14.613 -0.927 1.00 2.33 H new ATOM 0 HD12 ILE A 104 -13.510 -14.878 -0.617 1.00 2.33 H new ATOM 0 HD13 ILE A 104 -12.365 -14.799 0.743 1.00 2.33 H new ATOM 1737 N GLN A 105 -15.345 -17.390 2.947 1.00 63.42 N ATOM 1738 CA GLN A 105 -16.331 -18.127 3.729 1.00 41.50 C ATOM 1739 C GLN A 105 -17.718 -17.512 3.573 1.00 71.31 C ATOM 1740 O GLN A 105 -17.917 -16.602 2.768 1.00 11.31 O ATOM 1741 CB GLN A 105 -15.931 -18.145 5.205 1.00 14.35 C ATOM 1742 CG GLN A 105 -15.830 -16.760 5.825 1.00 34.45 C ATOM 1743 CD GLN A 105 -15.526 -16.807 7.310 1.00 43.32 C ATOM 1744 OE1 GLN A 105 -16.015 -17.678 8.029 1.00 55.00 O ATOM 1745 NE2 GLN A 105 -14.713 -15.866 7.777 1.00 22.42 N ATOM 0 H GLN A 105 -15.692 -16.522 2.540 1.00 63.42 H new ATOM 0 HA GLN A 105 -16.363 -19.151 3.356 1.00 41.50 H new ATOM 0 HB2 GLN A 105 -16.660 -18.732 5.763 1.00 14.35 H new ATOM 0 HB3 GLN A 105 -14.971 -18.650 5.306 1.00 14.35 H new ATOM 0 HG2 GLN A 105 -15.050 -16.194 5.316 1.00 34.45 H new ATOM 0 HG3 GLN A 105 -16.767 -16.226 5.666 1.00 34.45 H new ATOM 0 HE21 GLN A 105 -14.330 -15.163 7.145 1.00 22.42 H new ATOM 0 HE22 GLN A 105 -14.471 -15.846 8.768 1.00 22.42 H new ATOM 1754 N ILE A 106 -18.673 -18.016 4.347 1.00 74.33 N ATOM 1755 CA ILE A 106 -20.042 -17.516 4.294 1.00 25.33 C ATOM 1756 C ILE A 106 -20.407 -16.779 5.578 1.00 43.51 C ATOM 1757 O ILE A 106 -19.949 -17.135 6.663 1.00 42.32 O ATOM 1758 CB ILE A 106 -21.050 -18.658 4.067 1.00 1.10 C ATOM 1759 CG1 ILE A 106 -20.674 -19.459 2.819 1.00 42.13 C ATOM 1760 CG2 ILE A 106 -22.460 -18.102 3.941 1.00 13.40 C ATOM 1761 CD1 ILE A 106 -20.435 -20.927 3.092 1.00 20.32 C ATOM 0 H ILE A 106 -18.525 -18.770 5.018 1.00 74.33 H new ATOM 0 HA ILE A 106 -20.094 -16.825 3.453 1.00 25.33 H new ATOM 0 HB ILE A 106 -21.019 -19.326 4.927 1.00 1.10 H new ATOM 0 HG12 ILE A 106 -21.470 -19.360 2.080 1.00 42.13 H new ATOM 0 HG13 ILE A 106 -19.775 -19.029 2.378 1.00 42.13 H new ATOM 0 HG21 ILE A 106 -23.161 -18.921 3.781 1.00 13.40 H new ATOM 0 HG22 ILE A 106 -22.725 -17.571 4.855 1.00 13.40 H new ATOM 0 HG23 ILE A 106 -22.506 -17.415 3.096 1.00 13.40 H new ATOM 0 HD11 ILE A 106 -20.173 -21.432 2.162 1.00 20.32 H new ATOM 0 HD12 ILE A 106 -19.619 -21.036 3.807 1.00 20.32 H new ATOM 0 HD13 ILE A 106 -21.340 -21.373 3.504 1.00 20.32 H new ATOM 1773 N GLY A 107 -21.237 -15.748 5.446 1.00 21.24 N ATOM 1774 CA GLY A 107 -21.652 -14.977 6.604 1.00 64.22 C ATOM 1775 C GLY A 107 -22.209 -15.849 7.712 1.00 41.23 C ATOM 1776 O GLY A 107 -22.972 -16.779 7.454 1.00 4.04 O ATOM 0 H GLY A 107 -21.629 -15.433 4.559 1.00 21.24 H new ATOM 0 HA2 GLY A 107 -20.801 -14.411 6.984 1.00 64.22 H new ATOM 0 HA3 GLY A 107 -22.408 -14.252 6.302 1.00 64.22 H new ATOM 1780 N ASN A 108 -21.826 -15.548 8.948 1.00 22.24 N ATOM 1781 CA ASN A 108 -22.291 -16.313 10.100 1.00 62.12 C ATOM 1782 C ASN A 108 -23.558 -15.698 10.686 1.00 41.22 C ATOM 1783 O ASN A 108 -23.764 -14.487 10.612 1.00 31.21 O ATOM 1784 CB ASN A 108 -21.199 -16.377 11.170 1.00 34.32 C ATOM 1785 CG ASN A 108 -20.011 -17.212 10.734 1.00 5.13 C ATOM 1786 OD1 ASN A 108 -19.075 -16.704 10.116 1.00 22.11 O ATOM 1787 ND2 ASN A 108 -20.043 -18.500 11.055 1.00 24.04 N ATOM 0 H ASN A 108 -21.195 -14.780 9.178 1.00 22.24 H new ATOM 0 HA ASN A 108 -22.521 -17.324 9.765 1.00 62.12 H new ATOM 0 HB2 ASN A 108 -20.863 -15.367 11.404 1.00 34.32 H new ATOM 0 HB3 ASN A 108 -21.616 -16.794 12.087 1.00 34.32 H new ATOM 0 HD21 ASN A 108 -19.271 -19.111 10.789 1.00 24.04 H new ATOM 0 HD22 ASN A 108 -20.839 -18.878 11.568 1.00 24.04 H new ATOM 1794 N GLY A 109 -24.404 -16.542 11.269 1.00 11.50 N ATOM 1795 CA GLY A 109 -25.640 -16.063 11.860 1.00 51.42 C ATOM 1796 C GLY A 109 -25.414 -14.925 12.836 1.00 25.41 C ATOM 1797 O GLY A 109 -24.273 -14.601 13.168 1.00 11.44 O ATOM 0 H GLY A 109 -24.256 -17.548 11.343 1.00 11.50 H new ATOM 0 HA2 GLY A 109 -26.312 -15.731 11.069 1.00 51.42 H new ATOM 0 HA3 GLY A 109 -26.136 -16.886 12.375 1.00 51.42 H new ATOM 1801 N HIS A 110 -26.502 -14.317 13.296 1.00 10.14 N ATOM 1802 CA HIS A 110 -26.417 -13.208 14.240 1.00 3.10 C ATOM 1803 C HIS A 110 -25.570 -13.589 15.451 1.00 43.34 C ATOM 1804 O HIS A 110 -24.934 -12.736 16.069 1.00 50.11 O ATOM 1805 CB HIS A 110 -27.815 -12.787 14.693 1.00 30.53 C ATOM 1806 CG HIS A 110 -27.835 -11.498 15.455 1.00 54.24 C ATOM 1807 ND1 HIS A 110 -28.051 -11.430 16.815 1.00 73.22 N ATOM 1808 CD2 HIS A 110 -27.664 -10.221 15.039 1.00 65.35 C ATOM 1809 CE1 HIS A 110 -28.013 -10.168 17.202 1.00 10.22 C ATOM 1810 NE2 HIS A 110 -27.779 -9.414 16.143 1.00 3.13 N ATOM 0 H HIS A 110 -27.453 -14.573 13.031 1.00 10.14 H new ATOM 0 HA HIS A 110 -25.940 -12.369 13.734 1.00 3.10 H new ATOM 0 HB2 HIS A 110 -28.458 -12.692 13.818 1.00 30.53 H new ATOM 0 HB3 HIS A 110 -28.238 -13.575 15.316 1.00 30.53 H new ATOM 0 HD2 HIS A 110 -27.473 -9.898 14.026 1.00 65.35 H new ATOM 0 HE1 HIS A 110 -28.150 -9.813 18.213 1.00 10.22 H new ATOM 0 HE2 HIS A 110 -27.697 -8.397 16.145 1.00 3.13 H new ATOM 1818 N GLY A 111 -25.567 -14.876 15.784 1.00 42.12 N ATOM 1819 CA GLY A 111 -24.796 -15.346 16.919 1.00 24.55 C ATOM 1820 C GLY A 111 -23.343 -15.600 16.569 1.00 42.02 C ATOM 1821 O GLY A 111 -22.824 -16.692 16.800 1.00 1.53 O ATOM 0 H GLY A 111 -26.085 -15.601 15.288 1.00 42.12 H new ATOM 0 HA2 GLY A 111 -24.850 -14.609 17.721 1.00 24.55 H new ATOM 0 HA3 GLY A 111 -25.241 -16.265 17.300 1.00 24.55 H new ATOM 1825 N GLN A 112 -22.686 -14.590 16.007 1.00 12.25 N ATOM 1826 CA GLN A 112 -21.285 -14.710 15.622 1.00 32.30 C ATOM 1827 C GLN A 112 -20.755 -13.388 15.077 1.00 20.20 C ATOM 1828 O GLN A 112 -21.295 -12.841 14.116 1.00 44.24 O ATOM 1829 CB GLN A 112 -21.115 -15.812 14.575 1.00 73.13 C ATOM 1830 CG GLN A 112 -19.796 -16.559 14.686 1.00 33.53 C ATOM 1831 CD GLN A 112 -18.648 -15.818 14.031 1.00 0.31 C ATOM 1832 OE1 GLN A 112 -18.749 -15.383 12.883 1.00 22.23 O ATOM 1833 NE2 GLN A 112 -17.547 -15.668 14.759 1.00 73.52 N ATOM 0 H GLN A 112 -23.102 -13.680 15.808 1.00 12.25 H new ATOM 0 HA GLN A 112 -20.711 -14.971 16.511 1.00 32.30 H new ATOM 0 HB2 GLN A 112 -21.935 -16.523 14.672 1.00 73.13 H new ATOM 0 HB3 GLN A 112 -21.191 -15.372 13.581 1.00 73.13 H new ATOM 0 HG2 GLN A 112 -19.564 -16.724 15.738 1.00 33.53 H new ATOM 0 HG3 GLN A 112 -19.899 -17.541 14.225 1.00 33.53 H new ATOM 0 HE21 GLN A 112 -17.507 -16.044 15.706 1.00 73.52 H new ATOM 0 HE22 GLN A 112 -16.742 -15.176 14.371 1.00 73.52 H new ATOM 1842 N SER A 113 -19.695 -12.880 15.698 1.00 71.31 N ATOM 1843 CA SER A 113 -19.094 -11.620 15.278 1.00 53.24 C ATOM 1844 C SER A 113 -17.912 -11.866 14.345 1.00 52.20 C ATOM 1845 O SER A 113 -17.156 -12.820 14.523 1.00 31.35 O ATOM 1846 CB SER A 113 -18.638 -10.816 16.497 1.00 61.41 C ATOM 1847 OG SER A 113 -19.729 -10.526 17.354 1.00 64.41 O ATOM 0 H SER A 113 -19.235 -13.322 16.494 1.00 71.31 H new ATOM 0 HA SER A 113 -19.849 -11.049 14.737 1.00 53.24 H new ATOM 0 HB2 SER A 113 -17.881 -11.377 17.044 1.00 61.41 H new ATOM 0 HB3 SER A 113 -18.171 -9.887 16.170 1.00 61.41 H new ATOM 0 HG SER A 113 -19.411 -10.013 18.126 1.00 64.41 H new ATOM 1853 N GLN A 114 -17.761 -10.997 13.350 1.00 24.43 N ATOM 1854 CA GLN A 114 -16.671 -11.120 12.389 1.00 74.52 C ATOM 1855 C GLN A 114 -15.430 -10.379 12.875 1.00 71.53 C ATOM 1856 O GLN A 114 -14.459 -10.995 13.312 1.00 21.02 O ATOM 1857 CB GLN A 114 -17.103 -10.578 11.025 1.00 2.33 C ATOM 1858 CG GLN A 114 -18.233 -11.368 10.386 1.00 15.51 C ATOM 1859 CD GLN A 114 -19.603 -10.862 10.796 1.00 62.03 C ATOM 1860 OE1 GLN A 114 -19.770 -9.688 11.129 1.00 61.34 O ATOM 1861 NE2 GLN A 114 -20.592 -11.747 10.773 1.00 31.53 N ATOM 0 H GLN A 114 -18.379 -10.202 13.189 1.00 24.43 H new ATOM 0 HA GLN A 114 -16.424 -12.177 12.290 1.00 74.52 H new ATOM 0 HB2 GLN A 114 -17.416 -9.540 11.138 1.00 2.33 H new ATOM 0 HB3 GLN A 114 -16.244 -10.581 10.354 1.00 2.33 H new ATOM 0 HG2 GLN A 114 -18.140 -11.315 9.301 1.00 15.51 H new ATOM 0 HG3 GLN A 114 -18.140 -12.418 10.663 1.00 15.51 H new ATOM 0 HE21 GLN A 114 -20.408 -12.710 10.490 1.00 31.53 H new ATOM 0 HE22 GLN A 114 -21.536 -11.464 11.038 1.00 31.53 H new ATOM 1870 N GLY A 115 -15.469 -9.053 12.794 1.00 11.21 N ATOM 1871 CA GLY A 115 -14.341 -8.250 13.229 1.00 52.33 C ATOM 1872 C GLY A 115 -13.305 -8.066 12.137 1.00 34.24 C ATOM 1873 O GLY A 115 -12.125 -8.356 12.336 1.00 2.15 O ATOM 0 H GLY A 115 -16.261 -8.520 12.435 1.00 11.21 H new ATOM 0 HA2 GLY A 115 -14.698 -7.273 13.555 1.00 52.33 H new ATOM 0 HA3 GLY A 115 -13.874 -8.723 14.093 1.00 52.33 H new ATOM 1877 N LEU A 116 -13.746 -7.586 10.980 1.00 14.52 N ATOM 1878 CA LEU A 116 -12.849 -7.365 9.851 1.00 30.14 C ATOM 1879 C LEU A 116 -13.115 -6.011 9.201 1.00 64.32 C ATOM 1880 O LEU A 116 -14.048 -5.304 9.578 1.00 3.42 O ATOM 1881 CB LEU A 116 -13.013 -8.481 8.818 1.00 35.23 C ATOM 1882 CG LEU A 116 -14.425 -9.049 8.662 1.00 2.32 C ATOM 1883 CD1 LEU A 116 -15.359 -8.002 8.076 1.00 52.21 C ATOM 1884 CD2 LEU A 116 -14.405 -10.296 7.791 1.00 63.21 C ATOM 0 H LEU A 116 -14.720 -7.342 10.799 1.00 14.52 H new ATOM 0 HA LEU A 116 -11.825 -7.372 10.225 1.00 30.14 H new ATOM 0 HB2 LEU A 116 -12.686 -8.103 7.849 1.00 35.23 H new ATOM 0 HB3 LEU A 116 -12.342 -9.297 9.085 1.00 35.23 H new ATOM 0 HG LEU A 116 -14.796 -9.326 9.649 1.00 2.32 H new ATOM 0 HD11 LEU A 116 -16.359 -8.424 7.972 1.00 52.21 H new ATOM 0 HD12 LEU A 116 -15.397 -7.137 8.738 1.00 52.21 H new ATOM 0 HD13 LEU A 116 -14.992 -7.694 7.097 1.00 52.21 H new ATOM 0 HD21 LEU A 116 -15.418 -10.686 7.691 1.00 63.21 H new ATOM 0 HD22 LEU A 116 -14.014 -10.045 6.805 1.00 63.21 H new ATOM 0 HD23 LEU A 116 -13.769 -11.052 8.252 1.00 63.21 H new ATOM 1896 N GLU A 117 -12.289 -5.659 8.220 1.00 22.43 N ATOM 1897 CA GLU A 117 -12.436 -4.391 7.517 1.00 52.24 C ATOM 1898 C GLU A 117 -12.805 -4.620 6.054 1.00 54.22 C ATOM 1899 O GLU A 117 -12.763 -5.759 5.593 1.00 70.34 O ATOM 1900 CB GLU A 117 -11.142 -3.579 7.606 1.00 14.04 C ATOM 1901 CG GLU A 117 -11.074 -2.675 8.826 1.00 55.23 C ATOM 1902 CD GLU A 117 -10.051 -1.566 8.674 1.00 71.32 C ATOM 1903 OE1 GLU A 117 -9.236 -1.636 7.730 1.00 12.52 O ATOM 1904 OE2 GLU A 117 -10.066 -0.629 9.499 1.00 23.01 O ATOM 0 H GLU A 117 -11.512 -6.234 7.895 1.00 22.43 H new ATOM 0 HA GLU A 117 -13.241 -3.832 7.994 1.00 52.24 H new ATOM 0 HB2 GLU A 117 -10.294 -4.263 7.624 1.00 14.04 H new ATOM 0 HB3 GLU A 117 -11.042 -2.971 6.707 1.00 14.04 H new ATOM 0 HG2 GLU A 117 -12.056 -2.237 9.004 1.00 55.23 H new ATOM 0 HG3 GLU A 117 -10.828 -3.273 9.704 1.00 55.23 H new TER 1911 GLU A 117 ATOM 1912 N GLY B -9 5.137 -15.103 9.495 1.00 11.34 N ATOM 1913 CA GLY B -9 6.275 -15.953 9.199 1.00 4.35 C ATOM 1914 C GLY B -9 7.254 -16.034 10.354 1.00 31.02 C ATOM 1915 O GLY B -9 6.852 -16.086 11.517 1.00 74.03 O ATOM 0 H1 GLY B -9 4.515 -15.053 8.663 1.00 11.34 H new ATOM 0 H2 GLY B -9 4.609 -15.498 10.299 1.00 11.34 H new ATOM 0 H3 GLY B -9 5.470 -14.148 9.735 1.00 11.34 H new ATOM 0 HA2 GLY B -9 5.922 -16.955 8.955 1.00 4.35 H new ATOM 0 HA3 GLY B -9 6.789 -15.572 8.317 1.00 4.35 H new ATOM 1919 N LYS B -8 8.544 -16.047 10.035 1.00 54.20 N ATOM 1920 CA LYS B -8 9.584 -16.123 11.054 1.00 72.01 C ATOM 1921 C LYS B -8 10.970 -16.059 10.422 1.00 45.54 C ATOM 1922 O LYS B -8 11.860 -16.835 10.771 1.00 75.43 O ATOM 1923 CB LYS B -8 9.440 -17.414 11.863 1.00 2.11 C ATOM 1924 CG LYS B -8 9.015 -18.610 11.029 1.00 21.34 C ATOM 1925 CD LYS B -8 10.056 -18.955 9.978 1.00 62.32 C ATOM 1926 CE LYS B -8 9.662 -20.195 9.189 1.00 42.30 C ATOM 1927 NZ LYS B -8 10.816 -21.115 8.989 1.00 51.21 N ATOM 0 H LYS B -8 8.894 -16.006 9.078 1.00 54.20 H new ATOM 0 HA LYS B -8 9.468 -15.268 11.721 1.00 72.01 H new ATOM 0 HB2 LYS B -8 10.391 -17.638 12.346 1.00 2.11 H new ATOM 0 HB3 LYS B -8 8.709 -17.256 12.656 1.00 2.11 H new ATOM 0 HG2 LYS B -8 8.855 -19.470 11.680 1.00 21.34 H new ATOM 0 HG3 LYS B -8 8.063 -18.396 10.543 1.00 21.34 H new ATOM 0 HD2 LYS B -8 10.180 -18.113 9.297 1.00 62.32 H new ATOM 0 HD3 LYS B -8 11.020 -19.120 10.459 1.00 62.32 H new ATOM 0 HE2 LYS B -8 8.865 -20.721 9.714 1.00 42.30 H new ATOM 0 HE3 LYS B -8 9.263 -19.897 8.219 1.00 42.30 H new ATOM 0 HZ1 LYS B -8 10.584 -21.807 8.248 1.00 51.21 H new ATOM 0 HZ2 LYS B -8 11.651 -20.566 8.701 1.00 51.21 H new ATOM 0 HZ3 LYS B -8 11.019 -21.615 9.878 1.00 51.21 H new ATOM 1941 N PHE B -7 11.149 -15.127 9.491 1.00 53.20 N ATOM 1942 CA PHE B -7 12.428 -14.961 8.811 1.00 52.34 C ATOM 1943 C PHE B -7 13.374 -14.092 9.635 1.00 73.50 C ATOM 1944 O PHE B -7 14.299 -14.596 10.272 1.00 63.42 O ATOM 1945 CB PHE B -7 12.218 -14.336 7.430 1.00 74.55 C ATOM 1946 CG PHE B -7 11.665 -15.297 6.415 1.00 1.23 C ATOM 1947 CD1 PHE B -7 10.423 -15.882 6.601 1.00 70.12 C ATOM 1948 CD2 PHE B -7 12.388 -15.614 5.276 1.00 14.24 C ATOM 1949 CE1 PHE B -7 9.913 -16.767 5.669 1.00 12.35 C ATOM 1950 CE2 PHE B -7 11.882 -16.497 4.341 1.00 23.53 C ATOM 1951 CZ PHE B -7 10.643 -17.074 4.538 1.00 53.22 C ATOM 0 H PHE B -7 10.424 -14.475 9.191 1.00 53.20 H new ATOM 0 HA PHE B -7 12.878 -15.947 8.692 1.00 52.34 H new ATOM 0 HB2 PHE B -7 11.540 -13.488 7.523 1.00 74.55 H new ATOM 0 HB3 PHE B -7 13.169 -13.945 7.068 1.00 74.55 H new ATOM 0 HD1 PHE B -7 9.847 -15.644 7.483 1.00 70.12 H new ATOM 0 HD2 PHE B -7 13.358 -15.166 5.117 1.00 14.24 H new ATOM 0 HE1 PHE B -7 8.944 -17.218 5.826 1.00 12.35 H new ATOM 0 HE2 PHE B -7 12.455 -16.736 3.457 1.00 23.53 H new ATOM 0 HZ PHE B -7 10.246 -17.764 3.809 1.00 53.22 H new ATOM 1961 N ILE B -6 13.134 -12.786 9.617 1.00 2.32 N ATOM 1962 CA ILE B -6 13.964 -11.847 10.363 1.00 73.31 C ATOM 1963 C ILE B -6 15.444 -12.070 10.072 1.00 71.34 C ATOM 1964 O ILE B -6 16.166 -12.702 10.843 1.00 34.24 O ATOM 1965 CB ILE B -6 13.727 -11.969 11.880 1.00 54.22 C ATOM 1966 CG1 ILE B -6 12.227 -12.017 12.181 1.00 4.05 C ATOM 1967 CG2 ILE B -6 14.383 -10.808 12.613 1.00 30.50 C ATOM 1968 CD1 ILE B -6 11.468 -10.816 11.664 1.00 50.52 C ATOM 0 H ILE B -6 12.372 -12.353 9.095 1.00 2.32 H new ATOM 0 HA ILE B -6 13.679 -10.846 10.038 1.00 73.31 H new ATOM 0 HB ILE B -6 14.179 -12.897 12.231 1.00 54.22 H new ATOM 0 HG12 ILE B -6 11.805 -12.920 11.740 1.00 4.05 H new ATOM 0 HG13 ILE B -6 12.083 -12.091 13.259 1.00 4.05 H new ATOM 0 HG21 ILE B -6 14.207 -10.908 13.684 1.00 30.50 H new ATOM 0 HG22 ILE B -6 15.456 -10.815 12.419 1.00 30.50 H new ATOM 0 HG23 ILE B -6 13.957 -9.868 12.261 1.00 30.50 H new ATOM 0 HD11 ILE B -6 10.412 -10.918 11.913 1.00 50.52 H new ATOM 0 HD12 ILE B -6 11.863 -9.910 12.124 1.00 50.52 H new ATOM 0 HD13 ILE B -6 11.581 -10.753 10.582 1.00 50.52 H new ATOM 1980 N PRO B -5 15.909 -11.538 8.932 1.00 62.33 N ATOM 1981 CA PRO B -5 17.308 -11.664 8.513 1.00 44.21 C ATOM 1982 C PRO B -5 18.252 -10.851 9.392 1.00 0.35 C ATOM 1983 O PRO B -5 18.207 -9.621 9.397 1.00 54.45 O ATOM 1984 CB PRO B -5 17.302 -11.114 7.084 1.00 11.34 C ATOM 1985 CG PRO B -5 16.137 -10.186 7.041 1.00 4.43 C ATOM 1986 CD PRO B -5 15.105 -10.773 7.964 1.00 5.31 C ATOM 0 HA PRO B -5 17.664 -12.691 8.587 1.00 44.21 H new ATOM 0 HB2 PRO B -5 18.232 -10.593 6.856 1.00 11.34 H new ATOM 0 HB3 PRO B -5 17.198 -11.915 6.352 1.00 11.34 H new ATOM 0 HG2 PRO B -5 16.424 -9.185 7.363 1.00 4.43 H new ATOM 0 HG3 PRO B -5 15.747 -10.096 6.027 1.00 4.43 H new ATOM 0 HD2 PRO B -5 14.517 -9.997 8.454 1.00 5.31 H new ATOM 0 HD3 PRO B -5 14.405 -11.414 7.428 1.00 5.31 H new ATOM 1994 N SER B -4 19.107 -11.546 10.136 1.00 14.23 N ATOM 1995 CA SER B -4 20.059 -10.888 11.023 1.00 42.32 C ATOM 1996 C SER B -4 21.487 -11.317 10.700 1.00 4.42 C ATOM 1997 O SER B -4 22.207 -11.818 11.564 1.00 34.32 O ATOM 1998 CB SER B -4 19.736 -11.209 12.483 1.00 34.50 C ATOM 1999 OG SER B -4 18.352 -11.461 12.655 1.00 14.22 O ATOM 0 H SER B -4 19.160 -12.565 10.142 1.00 14.23 H new ATOM 0 HA SER B -4 19.977 -9.812 10.869 1.00 42.32 H new ATOM 0 HB2 SER B -4 20.310 -12.079 12.803 1.00 34.50 H new ATOM 0 HB3 SER B -4 20.039 -10.376 13.118 1.00 34.50 H new ATOM 0 HG SER B -4 18.171 -11.665 13.596 1.00 14.22 H new ATOM 2005 N ARG B -3 21.891 -11.115 9.450 1.00 72.20 N ATOM 2006 CA ARG B -3 23.232 -11.482 9.012 1.00 40.24 C ATOM 2007 C ARG B -3 24.075 -10.239 8.742 1.00 54.51 C ATOM 2008 O ARG B -3 23.561 -9.129 8.602 1.00 14.52 O ATOM 2009 CB ARG B -3 23.161 -12.346 7.751 1.00 23.24 C ATOM 2010 CG ARG B -3 21.771 -12.890 7.463 1.00 45.42 C ATOM 2011 CD ARG B -3 21.335 -13.893 8.519 1.00 3.00 C ATOM 2012 NE ARG B -3 20.479 -14.937 7.962 1.00 42.21 N ATOM 2013 CZ ARG B -3 20.058 -15.989 8.654 1.00 23.44 C ATOM 2014 NH1 ARG B -3 20.412 -16.137 9.924 1.00 43.34 N ATOM 2015 NH2 ARG B -3 19.281 -16.897 8.077 1.00 22.14 N ATOM 0 H ARG B -3 21.309 -10.699 8.723 1.00 72.20 H new ATOM 0 HA ARG B -3 23.704 -12.054 9.811 1.00 40.24 H new ATOM 0 HB2 ARG B -3 23.495 -11.756 6.897 1.00 23.24 H new ATOM 0 HB3 ARG B -3 23.855 -13.181 7.853 1.00 23.24 H new ATOM 0 HG2 ARG B -3 21.058 -12.067 7.425 1.00 45.42 H new ATOM 0 HG3 ARG B -3 21.761 -13.365 6.482 1.00 45.42 H new ATOM 0 HD2 ARG B -3 22.216 -14.349 8.971 1.00 3.00 H new ATOM 0 HD3 ARG B -3 20.801 -13.373 9.315 1.00 3.00 H new ATOM 0 HE ARG B -3 20.189 -14.853 6.988 1.00 42.21 H new ATOM 0 HH11 ARG B -3 21.009 -15.442 10.371 1.00 43.34 H new ATOM 0 HH12 ARG B -3 20.087 -16.946 10.453 1.00 43.34 H new ATOM 0 HH21 ARG B -3 19.007 -16.787 7.101 1.00 22.14 H new ATOM 0 HH22 ARG B -3 18.958 -17.705 8.610 1.00 22.14 H new ATOM 2029 N PRO B -2 25.401 -10.427 8.667 1.00 15.33 N ATOM 2030 CA PRO B -2 26.342 -9.332 8.414 1.00 24.41 C ATOM 2031 C PRO B -2 26.240 -8.797 6.990 1.00 14.10 C ATOM 2032 O PRO B -2 26.873 -7.800 6.645 1.00 54.33 O ATOM 2033 CB PRO B -2 27.710 -9.981 8.644 1.00 12.21 C ATOM 2034 CG PRO B -2 27.490 -11.431 8.383 1.00 41.00 C ATOM 2035 CD PRO B -2 26.082 -11.723 8.824 1.00 43.50 C ATOM 0 HA PRO B -2 26.149 -8.472 9.055 1.00 24.41 H new ATOM 0 HB2 PRO B -2 28.462 -9.568 7.972 1.00 12.21 H new ATOM 0 HB3 PRO B -2 28.063 -9.811 9.661 1.00 12.21 H new ATOM 0 HG2 PRO B -2 27.624 -11.662 7.326 1.00 41.00 H new ATOM 0 HG3 PRO B -2 28.206 -12.040 8.935 1.00 41.00 H new ATOM 0 HD2 PRO B -2 25.621 -12.497 8.210 1.00 43.50 H new ATOM 0 HD3 PRO B -2 26.048 -12.073 9.856 1.00 43.50 H new ATOM 2043 N ALA B -1 25.438 -9.466 6.168 1.00 51.33 N ATOM 2044 CA ALA B -1 25.251 -9.055 4.782 1.00 74.12 C ATOM 2045 C ALA B -1 26.591 -8.869 4.079 1.00 52.54 C ATOM 2046 O ALA B -1 27.157 -7.775 4.049 1.00 74.52 O ATOM 2047 CB ALA B -1 24.435 -7.772 4.717 1.00 22.20 C ATOM 0 H ALA B -1 24.908 -10.294 6.438 1.00 51.33 H new ATOM 0 HA ALA B -1 24.706 -9.845 4.265 1.00 74.12 H new ATOM 0 HB1 ALA B -1 24.303 -7.477 3.676 1.00 22.20 H new ATOM 0 HB2 ALA B -1 23.459 -7.938 5.173 1.00 22.20 H new ATOM 0 HB3 ALA B -1 24.957 -6.981 5.255 1.00 22.20 H new ATOM 2053 N PRO B 0 27.113 -9.960 3.499 1.00 11.30 N ATOM 2054 CA PRO B 0 28.393 -9.941 2.785 1.00 23.15 C ATOM 2055 C PRO B 0 28.316 -9.163 1.477 1.00 42.25 C ATOM 2056 O PRO B 0 27.458 -9.428 0.634 1.00 2.51 O ATOM 2057 CB PRO B 0 28.668 -11.422 2.512 1.00 42.12 C ATOM 2058 CG PRO B 0 27.323 -12.062 2.502 1.00 11.44 C ATOM 2059 CD PRO B 0 26.493 -11.295 3.495 1.00 21.42 C ATOM 0 HA PRO B 0 29.175 -9.447 3.362 1.00 23.15 H new ATOM 0 HB2 PRO B 0 29.179 -11.561 1.559 1.00 42.12 H new ATOM 0 HB3 PRO B 0 29.306 -11.855 3.282 1.00 42.12 H new ATOM 0 HG2 PRO B 0 26.879 -12.021 1.508 1.00 11.44 H new ATOM 0 HG3 PRO B 0 27.389 -13.114 2.779 1.00 11.44 H new ATOM 0 HD2 PRO B 0 25.446 -11.251 3.195 1.00 21.42 H new ATOM 0 HD3 PRO B 0 26.522 -11.755 4.483 1.00 21.42 H new ATOM 2067 N LYS B 1 29.218 -8.201 1.311 1.00 24.42 N ATOM 2068 CA LYS B 1 29.255 -7.385 0.104 1.00 55.22 C ATOM 2069 C LYS B 1 29.634 -8.226 -1.111 1.00 13.12 C ATOM 2070 O LYS B 1 30.207 -9.309 -0.991 1.00 41.14 O ATOM 2071 CB LYS B 1 30.249 -6.234 0.271 1.00 24.13 C ATOM 2072 CG LYS B 1 29.654 -5.007 0.940 1.00 75.32 C ATOM 2073 CD LYS B 1 30.657 -3.869 1.012 1.00 41.44 C ATOM 2074 CE LYS B 1 31.633 -4.057 2.163 1.00 35.23 C ATOM 2075 NZ LYS B 1 31.099 -3.502 3.438 1.00 23.43 N ATOM 0 H LYS B 1 29.934 -7.968 1.999 1.00 24.42 H new ATOM 0 HA LYS B 1 28.258 -6.975 -0.057 1.00 55.22 H new ATOM 0 HB2 LYS B 1 31.099 -6.582 0.859 1.00 24.13 H new ATOM 0 HB3 LYS B 1 30.633 -5.952 -0.709 1.00 24.13 H new ATOM 0 HG2 LYS B 1 28.773 -4.682 0.387 1.00 75.32 H new ATOM 0 HG3 LYS B 1 29.322 -5.265 1.946 1.00 75.32 H new ATOM 0 HD2 LYS B 1 31.208 -3.808 0.073 1.00 41.44 H new ATOM 0 HD3 LYS B 1 30.128 -2.924 1.133 1.00 41.44 H new ATOM 0 HE2 LYS B 1 31.845 -5.119 2.290 1.00 35.23 H new ATOM 0 HE3 LYS B 1 32.578 -3.569 1.922 1.00 35.23 H new ATOM 0 HZ1 LYS B 1 31.793 -3.649 4.198 1.00 23.43 H new ATOM 0 HZ2 LYS B 1 30.920 -2.484 3.325 1.00 23.43 H new ATOM 0 HZ3 LYS B 1 30.211 -3.985 3.682 1.00 23.43 H new ATOM 2089 N PRO B 2 29.309 -7.718 -2.309 1.00 15.44 N ATOM 2090 CA PRO B 2 29.608 -8.405 -3.568 1.00 73.32 C ATOM 2091 C PRO B 2 31.101 -8.430 -3.875 1.00 2.23 C ATOM 2092 O PRO B 2 31.899 -7.729 -3.252 1.00 12.51 O ATOM 2093 CB PRO B 2 28.861 -7.573 -4.613 1.00 51.41 C ATOM 2094 CG PRO B 2 28.752 -6.215 -4.008 1.00 75.53 C ATOM 2095 CD PRO B 2 28.624 -6.432 -2.526 1.00 2.13 C ATOM 0 HA PRO B 2 29.306 -9.452 -3.542 1.00 73.32 H new ATOM 0 HB2 PRO B 2 29.404 -7.543 -5.558 1.00 51.41 H new ATOM 0 HB3 PRO B 2 27.877 -7.993 -4.824 1.00 51.41 H new ATOM 0 HG2 PRO B 2 29.630 -5.613 -4.240 1.00 75.53 H new ATOM 0 HG3 PRO B 2 27.887 -5.681 -4.401 1.00 75.53 H new ATOM 0 HD2 PRO B 2 29.092 -5.627 -1.960 1.00 2.13 H new ATOM 0 HD3 PRO B 2 27.580 -6.475 -2.215 1.00 2.13 H new ATOM 2103 N PRO B 3 31.491 -9.255 -4.857 1.00 70.34 N ATOM 2104 CA PRO B 3 32.891 -9.390 -5.269 1.00 44.14 C ATOM 2105 C PRO B 3 33.409 -8.143 -5.978 1.00 65.11 C ATOM 2106 O PRO B 3 32.783 -7.643 -6.912 1.00 60.14 O ATOM 2107 CB PRO B 3 32.865 -10.580 -6.232 1.00 22.03 C ATOM 2108 CG PRO B 3 31.473 -10.609 -6.761 1.00 11.30 C ATOM 2109 CD PRO B 3 30.595 -10.121 -5.642 1.00 55.43 C ATOM 0 HA PRO B 3 33.555 -9.529 -4.416 1.00 44.14 H new ATOM 0 HB2 PRO B 3 33.591 -10.455 -7.035 1.00 22.03 H new ATOM 0 HB3 PRO B 3 33.113 -11.509 -5.720 1.00 22.03 H new ATOM 0 HG2 PRO B 3 31.376 -9.971 -7.640 1.00 11.30 H new ATOM 0 HG3 PRO B 3 31.192 -11.617 -7.066 1.00 11.30 H new ATOM 0 HD2 PRO B 3 29.733 -9.571 -6.019 1.00 55.43 H new ATOM 0 HD3 PRO B 3 30.210 -10.947 -5.044 1.00 55.43 H new ATOM 2117 N SER B 4 34.557 -7.646 -5.528 1.00 41.11 N ATOM 2118 CA SER B 4 35.158 -6.455 -6.118 1.00 33.15 C ATOM 2119 C SER B 4 36.621 -6.324 -5.705 1.00 54.50 C ATOM 2120 O SER B 4 37.000 -6.695 -4.594 1.00 72.35 O ATOM 2121 CB SER B 4 34.383 -5.205 -5.696 1.00 32.22 C ATOM 2122 OG SER B 4 34.514 -4.174 -6.659 1.00 62.31 O ATOM 0 H SER B 4 35.089 -8.049 -4.757 1.00 41.11 H new ATOM 0 HA SER B 4 35.112 -6.553 -7.203 1.00 33.15 H new ATOM 0 HB2 SER B 4 33.330 -5.453 -5.566 1.00 32.22 H new ATOM 0 HB3 SER B 4 34.750 -4.854 -4.731 1.00 32.22 H new ATOM 0 HG SER B 4 34.008 -3.387 -6.367 1.00 62.31 H new ATOM 2128 N SER B 5 37.438 -5.792 -6.608 1.00 41.32 N ATOM 2129 CA SER B 5 38.861 -5.614 -6.341 1.00 74.01 C ATOM 2130 C SER B 5 39.084 -4.539 -5.282 1.00 22.45 C ATOM 2131 O SER B 5 40.078 -4.565 -4.556 1.00 34.24 O ATOM 2132 CB SER B 5 39.600 -5.240 -7.627 1.00 53.33 C ATOM 2133 OG SER B 5 40.834 -4.606 -7.340 1.00 64.30 O ATOM 0 H SER B 5 37.139 -5.477 -7.531 1.00 41.32 H new ATOM 0 HA SER B 5 39.256 -6.558 -5.965 1.00 74.01 H new ATOM 0 HB2 SER B 5 39.778 -6.136 -8.222 1.00 53.33 H new ATOM 0 HB3 SER B 5 38.978 -4.577 -8.228 1.00 53.33 H new ATOM 0 HG SER B 5 41.288 -4.378 -8.178 1.00 64.30 H new ATOM 2139 N ALA B 6 38.152 -3.595 -5.200 1.00 24.25 N ATOM 2140 CA ALA B 6 38.246 -2.512 -4.228 1.00 74.43 C ATOM 2141 C ALA B 6 37.612 -2.911 -2.900 1.00 13.53 C ATOM 2142 O ALA B 6 36.872 -3.892 -2.824 1.00 21.45 O ATOM 2143 CB ALA B 6 37.585 -1.255 -4.775 1.00 23.24 C ATOM 0 H ALA B 6 37.324 -3.558 -5.794 1.00 24.25 H new ATOM 0 HA ALA B 6 39.301 -2.306 -4.049 1.00 74.43 H new ATOM 0 HB1 ALA B 6 37.662 -0.454 -4.040 1.00 23.24 H new ATOM 0 HB2 ALA B 6 38.085 -0.952 -5.695 1.00 23.24 H new ATOM 0 HB3 ALA B 6 36.534 -1.457 -4.982 1.00 23.24 H new TER 2149 ALA B 6