USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 704 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 82 GLN : amide:sc= 0.496 K(o=1.2,f=-0.36) USER MOD Set 1.2: A 85 GLN : amide:sc= 0.736 K(o=1.2,f=0.35) USER MOD Set 2.1: A 69 THR OG1 : rot 180:sc= -0.0244 USER MOD Set 2.2: A 72 MET CE :methyl 160:sc= -0.128 (180deg=-1.07) USER MOD Set 3.1: A 36 GLN : amide:sc= -0.0878 X(o=0.45,f=0.11) USER MOD Set 3.2: A 43 THR OG1 : rot -42:sc= 0.539 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -92:sc= 0.127 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.182 USER MOD Single : A 8 ASN : amide:sc= -0.23 X(o=-0.23,f=-0.23) USER MOD Single : A 9 ASN : amide:sc= -0.327 X(o=-0.33,f=-0.33) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.301 X(o=-0.3,f=0) USER MOD Single : A 20 ASN : amide:sc= -1.63! K(o=-1.6!,f=-0.055) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= -0.541 X(o=-0.54,f=-0.26) USER MOD Single : A 54 ASN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 56 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.072) USER MOD Single : A 61 SER OG : rot 94:sc= 0.00996 USER MOD Single : A 62 MET CE :methyl -171:sc= -0.0834 (180deg=-0.3) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00802) USER MOD Single : A 66 GLN : amide:sc= -0.0441 X(o=-0.044,f=-0.044) USER MOD Single : A 68 THR OG1 : rot 107:sc= 0.786 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -1.48 K(o=-1.5,f=-0.022) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.693 K(o=-0.69,f=-4.2!) USER MOD Single : A 87 ASN : amide:sc= 0.959 K(o=0.96,f=0) USER MOD Single : A 89 ASN : amide:sc= -0.0899 X(o=-0.09,f=0) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 92 THR OG1 : rot 180:sc=-0.00574 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl -154:sc= 0 (180deg=-0.712) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.391 1.245 12.135 1.00 3.53 N ATOM 2 CA GLY A 1 -20.878 0.423 11.033 1.00 33.00 C ATOM 3 C GLY A 1 -20.294 -0.896 11.511 1.00 12.43 C ATOM 4 O GLY A 1 -19.191 -1.237 11.091 1.00 31.12 O ATOM 0 H1 GLY A 1 -21.778 2.133 11.755 1.00 3.53 H new ATOM 0 H2 GLY A 1 -22.141 0.726 12.635 1.00 3.53 H new ATOM 0 H3 GLY A 1 -20.618 1.460 12.797 1.00 3.53 H new ATOM 0 HA2 GLY A 1 -21.684 0.225 10.327 1.00 33.00 H new ATOM 0 HA3 GLY A 1 -20.112 0.981 10.494 1.00 33.00 H new ATOM 8 N THR A 2 -20.981 -1.625 12.383 1.00 21.01 N ATOM 9 CA THR A 2 -20.604 -2.949 12.849 1.00 3.14 C ATOM 10 C THR A 2 -20.748 -3.972 11.713 1.00 15.31 C ATOM 11 O THR A 2 -21.271 -3.679 10.630 1.00 24.31 O ATOM 12 CB THR A 2 -21.486 -3.311 14.067 1.00 74.24 C ATOM 13 OG1 THR A 2 -22.768 -2.710 13.961 1.00 64.12 O ATOM 14 CG2 THR A 2 -20.872 -2.826 15.376 1.00 14.21 C ATOM 0 H THR A 2 -21.851 -1.294 12.800 1.00 21.01 H new ATOM 0 HA THR A 2 -19.559 -2.961 13.158 1.00 3.14 H new ATOM 0 HB THR A 2 -21.564 -4.398 14.071 1.00 74.24 H new ATOM 0 HG1 THR A 2 -22.760 -1.841 14.414 1.00 64.12 H new ATOM 0 HG21 THR A 2 -21.522 -3.100 16.207 1.00 14.21 H new ATOM 0 HG22 THR A 2 -19.894 -3.288 15.513 1.00 14.21 H new ATOM 0 HG23 THR A 2 -20.760 -1.742 15.346 1.00 14.21 H new ATOM 22 N ASP A 3 -20.321 -5.201 11.985 1.00 33.02 N ATOM 23 CA ASP A 3 -20.482 -6.364 11.126 1.00 24.24 C ATOM 24 C ASP A 3 -21.124 -7.444 11.990 1.00 22.05 C ATOM 25 O ASP A 3 -20.516 -7.910 12.957 1.00 62.04 O ATOM 26 CB ASP A 3 -19.131 -6.798 10.521 1.00 71.00 C ATOM 27 CG ASP A 3 -19.106 -6.466 9.032 1.00 33.24 C ATOM 28 OD1 ASP A 3 -18.817 -5.303 8.695 1.00 44.33 O ATOM 29 OD2 ASP A 3 -19.537 -7.315 8.201 1.00 61.04 O ATOM 0 H ASP A 3 -19.830 -5.421 12.852 1.00 33.02 H new ATOM 0 HA ASP A 3 -21.117 -6.150 10.267 1.00 24.24 H new ATOM 0 HB2 ASP A 3 -18.313 -6.290 11.031 1.00 71.00 H new ATOM 0 HB3 ASP A 3 -18.982 -7.868 10.668 1.00 71.00 H new ATOM 33 N PHE A 4 -22.388 -7.773 11.727 1.00 11.22 N ATOM 34 CA PHE A 4 -23.172 -8.783 12.437 1.00 3.45 C ATOM 35 C PHE A 4 -24.109 -9.532 11.476 1.00 61.42 C ATOM 36 O PHE A 4 -25.060 -10.183 11.913 1.00 51.20 O ATOM 37 CB PHE A 4 -23.929 -8.127 13.611 1.00 23.44 C ATOM 38 CG PHE A 4 -24.047 -9.016 14.838 1.00 3.41 C ATOM 39 CD1 PHE A 4 -23.014 -9.017 15.796 1.00 4.52 C ATOM 40 CD2 PHE A 4 -25.183 -9.824 15.043 1.00 73.04 C ATOM 41 CE1 PHE A 4 -23.127 -9.801 16.958 1.00 14.15 C ATOM 42 CE2 PHE A 4 -25.289 -10.621 16.197 1.00 31.14 C ATOM 43 CZ PHE A 4 -24.267 -10.599 17.162 1.00 71.40 C ATOM 0 H PHE A 4 -22.917 -7.323 10.980 1.00 11.22 H new ATOM 0 HA PHE A 4 -22.499 -9.532 12.854 1.00 3.45 H new ATOM 0 HB2 PHE A 4 -23.419 -7.205 13.890 1.00 23.44 H new ATOM 0 HB3 PHE A 4 -24.929 -7.850 13.277 1.00 23.44 H new ATOM 0 HD1 PHE A 4 -22.132 -8.414 15.637 1.00 4.52 H new ATOM 0 HD2 PHE A 4 -25.976 -9.831 14.310 1.00 73.04 H new ATOM 0 HE1 PHE A 4 -22.337 -9.790 17.695 1.00 14.15 H new ATOM 0 HE2 PHE A 4 -26.155 -11.250 16.342 1.00 31.14 H new ATOM 0 HZ PHE A 4 -24.357 -11.194 18.059 1.00 71.40 H new ATOM 52 N GLY A 5 -23.853 -9.448 10.170 1.00 22.35 N ATOM 53 CA GLY A 5 -24.743 -9.874 9.107 1.00 4.11 C ATOM 54 C GLY A 5 -25.424 -8.636 8.551 1.00 21.24 C ATOM 55 O GLY A 5 -26.569 -8.350 8.894 1.00 4.51 O ATOM 0 H GLY A 5 -22.978 -9.062 9.816 1.00 22.35 H new ATOM 0 HA2 GLY A 5 -24.185 -10.388 8.324 1.00 4.11 H new ATOM 0 HA3 GLY A 5 -25.482 -10.579 9.487 1.00 4.11 H new ATOM 59 N THR A 6 -24.699 -7.864 7.744 1.00 24.32 N ATOM 60 CA THR A 6 -25.184 -6.640 7.113 1.00 2.45 C ATOM 61 C THR A 6 -24.288 -6.414 5.889 1.00 43.14 C ATOM 62 O THR A 6 -23.538 -5.440 5.773 1.00 35.44 O ATOM 63 CB THR A 6 -25.250 -5.498 8.166 1.00 15.11 C ATOM 64 OG1 THR A 6 -25.713 -4.281 7.605 1.00 54.11 O ATOM 65 CG2 THR A 6 -23.935 -5.249 8.917 1.00 20.31 C ATOM 0 H THR A 6 -23.731 -8.079 7.505 1.00 24.32 H new ATOM 0 HA THR A 6 -26.210 -6.691 6.748 1.00 2.45 H new ATOM 0 HB THR A 6 -25.971 -5.858 8.900 1.00 15.11 H new ATOM 0 HG1 THR A 6 -25.741 -3.590 8.300 1.00 54.11 H new ATOM 0 HG21 THR A 6 -24.072 -4.437 9.631 1.00 20.31 H new ATOM 0 HG22 THR A 6 -23.643 -6.154 9.449 1.00 20.31 H new ATOM 0 HG23 THR A 6 -23.155 -4.979 8.205 1.00 20.31 H new ATOM 73 N THR A 7 -24.285 -7.416 5.010 1.00 20.15 N ATOM 74 CA THR A 7 -23.167 -7.710 4.124 1.00 61.14 C ATOM 75 C THR A 7 -23.635 -7.932 2.683 1.00 73.54 C ATOM 76 O THR A 7 -22.835 -7.796 1.766 1.00 71.20 O ATOM 77 CB THR A 7 -22.436 -8.944 4.688 1.00 31.43 C ATOM 78 OG1 THR A 7 -22.274 -8.837 6.096 1.00 22.31 O ATOM 79 CG2 THR A 7 -21.048 -9.172 4.091 1.00 64.20 C ATOM 0 H THR A 7 -25.073 -8.054 4.894 1.00 20.15 H new ATOM 0 HA THR A 7 -22.484 -6.862 4.086 1.00 61.14 H new ATOM 0 HB THR A 7 -23.072 -9.787 4.417 1.00 31.43 H new ATOM 0 HG1 THR A 7 -21.809 -9.631 6.433 1.00 22.31 H new ATOM 0 HG21 THR A 7 -20.600 -10.059 4.540 1.00 64.20 H new ATOM 0 HG22 THR A 7 -21.134 -9.314 3.014 1.00 64.20 H new ATOM 0 HG23 THR A 7 -20.418 -8.306 4.293 1.00 64.20 H new ATOM 87 N ASN A 8 -24.917 -8.239 2.468 1.00 13.02 N ATOM 88 CA ASN A 8 -25.450 -8.716 1.189 1.00 60.53 C ATOM 89 C ASN A 8 -26.010 -7.577 0.326 1.00 13.12 C ATOM 90 O ASN A 8 -26.727 -7.838 -0.638 1.00 32.55 O ATOM 91 CB ASN A 8 -26.528 -9.773 1.500 1.00 75.54 C ATOM 92 CG ASN A 8 -26.942 -10.597 0.283 1.00 1.31 C ATOM 93 OD1 ASN A 8 -26.123 -11.263 -0.336 1.00 31.22 O ATOM 94 ND2 ASN A 8 -28.223 -10.631 -0.052 1.00 22.14 N ATOM 0 H ASN A 8 -25.629 -8.161 3.194 1.00 13.02 H new ATOM 0 HA ASN A 8 -24.645 -9.155 0.600 1.00 60.53 H new ATOM 0 HB2 ASN A 8 -26.155 -10.444 2.274 1.00 75.54 H new ATOM 0 HB3 ASN A 8 -27.407 -9.275 1.908 1.00 75.54 H new ATOM 0 HD21 ASN A 8 -28.531 -11.215 -0.830 1.00 22.14 H new ATOM 0 HD22 ASN A 8 -28.901 -10.074 0.468 1.00 22.14 H new ATOM 100 N ASN A 9 -25.789 -6.315 0.711 1.00 35.11 N ATOM 101 CA ASN A 9 -26.642 -5.181 0.368 1.00 15.11 C ATOM 102 C ASN A 9 -25.845 -4.040 -0.261 1.00 51.11 C ATOM 103 O ASN A 9 -25.194 -3.252 0.433 1.00 0.25 O ATOM 104 CB ASN A 9 -27.452 -4.737 1.595 1.00 14.44 C ATOM 105 CG ASN A 9 -26.615 -4.171 2.734 1.00 74.20 C ATOM 106 OD1 ASN A 9 -25.943 -4.902 3.453 1.00 23.22 O ATOM 107 ND2 ASN A 9 -26.655 -2.873 2.966 1.00 42.00 N ATOM 0 H ASN A 9 -24.989 -6.051 1.286 1.00 35.11 H new ATOM 0 HA ASN A 9 -27.352 -5.499 -0.395 1.00 15.11 H new ATOM 0 HB2 ASN A 9 -28.175 -3.984 1.284 1.00 14.44 H new ATOM 0 HB3 ASN A 9 -28.020 -5.590 1.967 1.00 14.44 H new ATOM 0 HD21 ASN A 9 -26.127 -2.477 3.744 1.00 42.00 H new ATOM 0 HD22 ASN A 9 -27.214 -2.265 2.368 1.00 42.00 H new ATOM 113 N PHE A 10 -25.912 -3.953 -1.592 1.00 43.03 N ATOM 114 CA PHE A 10 -25.227 -2.936 -2.387 1.00 72.44 C ATOM 115 C PHE A 10 -26.095 -2.558 -3.600 1.00 52.10 C ATOM 116 O PHE A 10 -25.933 -3.132 -4.676 1.00 64.44 O ATOM 117 CB PHE A 10 -23.854 -3.471 -2.842 1.00 12.15 C ATOM 118 CG PHE A 10 -22.812 -3.678 -1.760 1.00 32.34 C ATOM 119 CD1 PHE A 10 -22.810 -4.864 -1.004 1.00 23.35 C ATOM 120 CD2 PHE A 10 -21.793 -2.726 -1.559 1.00 64.41 C ATOM 121 CE1 PHE A 10 -21.791 -5.108 -0.068 1.00 75.14 C ATOM 122 CE2 PHE A 10 -20.773 -2.969 -0.621 1.00 23.21 C ATOM 123 CZ PHE A 10 -20.767 -4.166 0.113 1.00 14.05 C ATOM 0 H PHE A 10 -26.457 -4.604 -2.158 1.00 43.03 H new ATOM 0 HA PHE A 10 -25.067 -2.043 -1.783 1.00 72.44 H new ATOM 0 HB2 PHE A 10 -24.011 -4.423 -3.350 1.00 12.15 H new ATOM 0 HB3 PHE A 10 -23.446 -2.779 -3.579 1.00 12.15 H new ATOM 0 HD1 PHE A 10 -23.596 -5.591 -1.144 1.00 23.35 H new ATOM 0 HD2 PHE A 10 -21.795 -1.807 -2.127 1.00 64.41 H new ATOM 0 HE1 PHE A 10 -21.796 -6.019 0.511 1.00 75.14 H new ATOM 0 HE2 PHE A 10 -19.995 -2.236 -0.466 1.00 23.21 H new ATOM 0 HZ PHE A 10 -19.973 -4.362 0.818 1.00 14.05 H new ATOM 132 N VAL A 11 -27.022 -1.603 -3.455 1.00 1.01 N ATOM 133 CA VAL A 11 -27.960 -1.204 -4.522 1.00 3.15 C ATOM 134 C VAL A 11 -28.138 0.317 -4.644 1.00 13.30 C ATOM 135 O VAL A 11 -29.094 0.783 -5.261 1.00 24.54 O ATOM 136 CB VAL A 11 -29.312 -1.951 -4.370 1.00 53.32 C ATOM 137 CG1 VAL A 11 -29.184 -3.432 -4.750 1.00 74.52 C ATOM 138 CG2 VAL A 11 -29.895 -1.836 -2.949 1.00 24.31 C ATOM 0 H VAL A 11 -27.146 -1.079 -2.589 1.00 1.01 H new ATOM 0 HA VAL A 11 -27.512 -1.508 -5.468 1.00 3.15 H new ATOM 0 HB VAL A 11 -30.000 -1.462 -5.059 1.00 53.32 H new ATOM 0 HG11 VAL A 11 -30.150 -3.923 -4.631 1.00 74.52 H new ATOM 0 HG12 VAL A 11 -28.860 -3.515 -5.787 1.00 74.52 H new ATOM 0 HG13 VAL A 11 -28.451 -3.912 -4.102 1.00 74.52 H new ATOM 0 HG21 VAL A 11 -30.840 -2.376 -2.899 1.00 24.31 H new ATOM 0 HG22 VAL A 11 -29.194 -2.264 -2.232 1.00 24.31 H new ATOM 0 HG23 VAL A 11 -30.064 -0.786 -2.709 1.00 24.31 H new ATOM 148 N SER A 12 -27.276 1.102 -4.003 1.00 40.34 N ATOM 149 CA SER A 12 -27.493 2.538 -3.817 1.00 35.41 C ATOM 150 C SER A 12 -27.390 3.341 -5.142 1.00 2.21 C ATOM 151 O SER A 12 -26.758 2.856 -6.087 1.00 4.00 O ATOM 152 CB SER A 12 -26.496 2.988 -2.749 1.00 34.22 C ATOM 153 OG SER A 12 -25.156 2.871 -3.203 1.00 55.31 O ATOM 0 H SER A 12 -26.405 0.762 -3.596 1.00 40.34 H new ATOM 0 HA SER A 12 -28.512 2.737 -3.486 1.00 35.41 H new ATOM 0 HB2 SER A 12 -26.699 4.023 -2.474 1.00 34.22 H new ATOM 0 HB3 SER A 12 -26.630 2.387 -1.849 1.00 34.22 H new ATOM 0 HG SER A 12 -24.544 3.168 -2.497 1.00 55.31 H new ATOM 158 N PRO A 13 -27.948 4.569 -5.220 1.00 1.02 N ATOM 159 CA PRO A 13 -27.914 5.423 -6.415 1.00 13.32 C ATOM 160 C PRO A 13 -26.508 5.958 -6.742 1.00 1.11 C ATOM 161 O PRO A 13 -25.522 5.602 -6.084 1.00 60.35 O ATOM 162 CB PRO A 13 -28.934 6.539 -6.147 1.00 44.13 C ATOM 163 CG PRO A 13 -28.951 6.646 -4.628 1.00 52.23 C ATOM 164 CD PRO A 13 -28.772 5.195 -4.193 1.00 23.30 C ATOM 0 HA PRO A 13 -28.174 4.855 -7.308 1.00 13.32 H new ATOM 0 HB2 PRO A 13 -28.634 7.478 -6.612 1.00 44.13 H new ATOM 0 HB3 PRO A 13 -29.918 6.287 -6.543 1.00 44.13 H new ATOM 0 HG2 PRO A 13 -28.148 7.283 -4.257 1.00 52.23 H new ATOM 0 HG3 PRO A 13 -29.887 7.067 -4.261 1.00 52.23 H new ATOM 0 HD2 PRO A 13 -28.291 5.136 -3.217 1.00 23.30 H new ATOM 0 HD3 PRO A 13 -29.735 4.692 -4.104 1.00 23.30 H new ATOM 169 N ASN A 14 -26.388 6.783 -7.787 1.00 55.05 N ATOM 170 CA ASN A 14 -25.122 7.169 -8.410 1.00 72.34 C ATOM 171 C ASN A 14 -24.439 8.296 -7.624 1.00 74.33 C ATOM 172 O ASN A 14 -24.621 9.478 -7.921 1.00 33.54 O ATOM 173 CB ASN A 14 -25.364 7.547 -9.884 1.00 32.34 C ATOM 174 CG ASN A 14 -24.264 7.037 -10.794 1.00 33.53 C ATOM 175 OD1 ASN A 14 -23.082 7.176 -10.502 1.00 74.14 O ATOM 176 ND2 ASN A 14 -24.620 6.387 -11.885 1.00 35.52 N ATOM 0 H ASN A 14 -27.197 7.213 -8.236 1.00 55.05 H new ATOM 0 HA ASN A 14 -24.438 6.321 -8.388 1.00 72.34 H new ATOM 0 HB2 ASN A 14 -26.321 7.139 -10.210 1.00 32.34 H new ATOM 0 HB3 ASN A 14 -25.433 8.631 -9.973 1.00 32.34 H new ATOM 0 HD21 ASN A 14 -23.907 5.992 -12.499 1.00 35.52 H new ATOM 0 HD22 ASN A 14 -25.608 6.279 -12.115 1.00 35.52 H new ATOM 182 N LEU A 15 -23.678 7.944 -6.588 1.00 60.54 N ATOM 183 CA LEU A 15 -23.158 8.860 -5.580 1.00 14.42 C ATOM 184 C LEU A 15 -21.639 8.687 -5.512 1.00 32.22 C ATOM 185 O LEU A 15 -21.127 7.765 -4.873 1.00 53.23 O ATOM 186 CB LEU A 15 -23.884 8.595 -4.247 1.00 1.42 C ATOM 187 CG LEU A 15 -23.650 9.637 -3.133 1.00 62.15 C ATOM 188 CD1 LEU A 15 -24.815 9.615 -2.137 1.00 53.42 C ATOM 189 CD2 LEU A 15 -22.394 9.350 -2.311 1.00 72.13 C ATOM 0 H LEU A 15 -23.398 6.977 -6.424 1.00 60.54 H new ATOM 0 HA LEU A 15 -23.346 9.904 -5.829 1.00 14.42 H new ATOM 0 HB2 LEU A 15 -24.954 8.537 -4.444 1.00 1.42 H new ATOM 0 HB3 LEU A 15 -23.575 7.618 -3.875 1.00 1.42 H new ATOM 0 HG LEU A 15 -23.552 10.596 -3.642 1.00 62.15 H new ATOM 0 HD11 LEU A 15 -24.639 10.354 -1.355 1.00 53.42 H new ATOM 0 HD12 LEU A 15 -25.743 9.851 -2.658 1.00 53.42 H new ATOM 0 HD13 LEU A 15 -24.892 8.624 -1.689 1.00 53.42 H new ATOM 0 HD21 LEU A 15 -22.279 10.115 -1.543 1.00 72.13 H new ATOM 0 HD22 LEU A 15 -22.484 8.372 -1.839 1.00 72.13 H new ATOM 0 HD23 LEU A 15 -21.522 9.359 -2.964 1.00 72.13 H new ATOM 200 N GLN A 16 -20.913 9.565 -6.205 1.00 20.14 N ATOM 201 CA GLN A 16 -19.447 9.637 -6.222 1.00 71.21 C ATOM 202 C GLN A 16 -18.871 10.463 -5.062 1.00 60.51 C ATOM 203 O GLN A 16 -17.674 10.748 -5.013 1.00 51.22 O ATOM 204 CB GLN A 16 -18.986 10.247 -7.556 1.00 41.12 C ATOM 205 CG GLN A 16 -19.441 9.466 -8.795 1.00 63.34 C ATOM 206 CD GLN A 16 -18.992 10.131 -10.093 1.00 55.11 C ATOM 207 OE1 GLN A 16 -18.833 11.348 -10.167 1.00 75.21 O ATOM 208 NE2 GLN A 16 -18.893 9.377 -11.169 1.00 42.21 N ATOM 0 H GLN A 16 -21.346 10.276 -6.795 1.00 20.14 H new ATOM 0 HA GLN A 16 -19.075 8.619 -6.106 1.00 71.21 H new ATOM 0 HB2 GLN A 16 -19.362 11.268 -7.625 1.00 41.12 H new ATOM 0 HB3 GLN A 16 -17.898 10.308 -7.558 1.00 41.12 H new ATOM 0 HG2 GLN A 16 -19.041 8.453 -8.751 1.00 63.34 H new ATOM 0 HG3 GLN A 16 -20.528 9.380 -8.790 1.00 63.34 H new ATOM 0 HE21 GLN A 16 -19.026 8.368 -11.099 1.00 42.21 H new ATOM 0 HE22 GLN A 16 -18.683 9.802 -12.072 1.00 42.21 H new ATOM 215 N LEU A 17 -19.737 10.900 -4.154 1.00 4.00 N ATOM 216 CA LEU A 17 -19.481 12.002 -3.230 1.00 33.53 C ATOM 217 C LEU A 17 -19.324 11.429 -1.820 1.00 12.34 C ATOM 218 O LEU A 17 -20.269 11.440 -1.022 1.00 75.24 O ATOM 219 CB LEU A 17 -20.609 13.054 -3.302 1.00 73.53 C ATOM 220 CG LEU A 17 -20.990 13.537 -4.721 1.00 60.34 C ATOM 221 CD1 LEU A 17 -22.188 12.768 -5.303 1.00 20.20 C ATOM 222 CD2 LEU A 17 -21.371 15.013 -4.689 1.00 62.52 C ATOM 0 H LEU A 17 -20.662 10.487 -4.036 1.00 4.00 H new ATOM 0 HA LEU A 17 -18.560 12.515 -3.508 1.00 33.53 H new ATOM 0 HB2 LEU A 17 -21.499 12.638 -2.829 1.00 73.53 H new ATOM 0 HB3 LEU A 17 -20.310 13.920 -2.712 1.00 73.53 H new ATOM 0 HG LEU A 17 -20.115 13.363 -5.347 1.00 60.34 H new ATOM 0 HD11 LEU A 17 -22.414 13.146 -6.300 1.00 20.20 H new ATOM 0 HD12 LEU A 17 -21.945 11.707 -5.364 1.00 20.20 H new ATOM 0 HD13 LEU A 17 -23.056 12.905 -4.658 1.00 20.20 H new ATOM 0 HD21 LEU A 17 -21.637 15.342 -5.694 1.00 62.52 H new ATOM 0 HD22 LEU A 17 -22.222 15.155 -4.023 1.00 62.52 H new ATOM 0 HD23 LEU A 17 -20.526 15.599 -4.327 1.00 62.52 H new ATOM 233 N LYS A 18 -18.151 10.862 -1.533 1.00 44.13 N ATOM 234 CA LYS A 18 -17.920 10.093 -0.303 1.00 1.23 C ATOM 235 C LYS A 18 -16.562 10.388 0.337 1.00 14.24 C ATOM 236 O LYS A 18 -15.720 11.057 -0.254 1.00 0.20 O ATOM 237 CB LYS A 18 -18.034 8.589 -0.572 1.00 31.51 C ATOM 238 CG LYS A 18 -19.264 8.087 -1.342 1.00 41.34 C ATOM 239 CD LYS A 18 -19.366 6.552 -1.250 1.00 2.10 C ATOM 240 CE LYS A 18 -19.947 6.149 0.115 1.00 51.41 C ATOM 241 NZ LYS A 18 -19.855 4.709 0.422 1.00 24.43 N ATOM 0 H LYS A 18 -17.335 10.921 -2.142 1.00 44.13 H new ATOM 0 HA LYS A 18 -18.694 10.406 0.398 1.00 1.23 H new ATOM 0 HB2 LYS A 18 -17.146 8.280 -1.123 1.00 31.51 H new ATOM 0 HB3 LYS A 18 -18.008 8.075 0.389 1.00 31.51 H new ATOM 0 HG2 LYS A 18 -20.167 8.543 -0.935 1.00 41.34 H new ATOM 0 HG3 LYS A 18 -19.196 8.391 -2.386 1.00 41.34 H new ATOM 0 HD2 LYS A 18 -19.999 6.172 -2.052 1.00 2.10 H new ATOM 0 HD3 LYS A 18 -18.381 6.104 -1.383 1.00 2.10 H new ATOM 0 HE2 LYS A 18 -19.428 6.707 0.895 1.00 51.41 H new ATOM 0 HE3 LYS A 18 -20.994 6.449 0.152 1.00 51.41 H new ATOM 0 HZ1 LYS A 18 -20.269 4.527 1.358 1.00 24.43 H new ATOM 0 HZ2 LYS A 18 -20.374 4.167 -0.298 1.00 24.43 H new ATOM 0 HZ3 LYS A 18 -18.857 4.417 0.422 1.00 24.43 H new ATOM 251 N GLN A 19 -16.328 9.852 1.534 1.00 0.30 N ATOM 252 CA GLN A 19 -15.101 10.019 2.285 1.00 3.42 C ATOM 253 C GLN A 19 -13.928 9.297 1.622 1.00 64.41 C ATOM 254 O GLN A 19 -14.113 8.368 0.832 1.00 15.14 O ATOM 255 CB GLN A 19 -15.319 9.522 3.725 1.00 22.31 C ATOM 256 CG GLN A 19 -15.549 7.999 3.821 1.00 73.03 C ATOM 257 CD GLN A 19 -15.963 7.508 5.206 1.00 2.52 C ATOM 258 OE1 GLN A 19 -16.569 6.448 5.332 1.00 74.45 O ATOM 259 NE2 GLN A 19 -15.616 8.216 6.265 1.00 55.55 N ATOM 0 H GLN A 19 -17.014 9.272 2.017 1.00 0.30 H new ATOM 0 HA GLN A 19 -14.843 11.078 2.304 1.00 3.42 H new ATOM 0 HB2 GLN A 19 -14.452 9.789 4.329 1.00 22.31 H new ATOM 0 HB3 GLN A 19 -16.177 10.039 4.154 1.00 22.31 H new ATOM 0 HG2 GLN A 19 -16.319 7.714 3.103 1.00 73.03 H new ATOM 0 HG3 GLN A 19 -14.633 7.487 3.526 1.00 73.03 H new ATOM 0 HE21 GLN A 19 -15.113 9.095 6.148 1.00 55.55 H new ATOM 0 HE22 GLN A 19 -15.851 7.884 7.200 1.00 55.55 H new ATOM 266 N ASN A 20 -12.731 9.707 2.039 1.00 60.34 N ATOM 267 CA ASN A 20 -11.412 9.190 1.673 1.00 71.05 C ATOM 268 C ASN A 20 -11.237 7.765 2.205 1.00 52.21 C ATOM 269 O ASN A 20 -10.740 7.545 3.313 1.00 2.11 O ATOM 270 CB ASN A 20 -10.340 10.137 2.239 1.00 2.23 C ATOM 271 CG ASN A 20 -8.918 9.910 1.726 1.00 24.02 C ATOM 272 OD1 ASN A 20 -8.193 10.870 1.497 1.00 42.12 O ATOM 273 ND2 ASN A 20 -8.412 8.692 1.621 1.00 12.44 N ATOM 0 H ASN A 20 -12.652 10.479 2.701 1.00 60.34 H new ATOM 0 HA ASN A 20 -11.311 9.147 0.589 1.00 71.05 H new ATOM 0 HB2 ASN A 20 -10.630 11.163 2.010 1.00 2.23 H new ATOM 0 HB3 ASN A 20 -10.334 10.042 3.325 1.00 2.23 H new ATOM 0 HD21 ASN A 20 -7.436 8.567 1.354 1.00 12.44 H new ATOM 0 HD22 ASN A 20 -8.998 7.878 1.807 1.00 12.44 H new ATOM 279 N VAL A 21 -11.652 6.789 1.414 1.00 64.45 N ATOM 280 CA VAL A 21 -11.419 5.365 1.672 1.00 35.10 C ATOM 281 C VAL A 21 -9.923 5.060 1.509 1.00 74.01 C ATOM 282 O VAL A 21 -9.180 5.854 0.927 1.00 33.44 O ATOM 283 CB VAL A 21 -12.296 4.478 0.753 1.00 60.01 C ATOM 284 CG1 VAL A 21 -12.508 3.070 1.329 1.00 41.53 C ATOM 285 CG2 VAL A 21 -13.693 5.074 0.582 1.00 64.13 C ATOM 0 H VAL A 21 -12.172 6.962 0.554 1.00 64.45 H new ATOM 0 HA VAL A 21 -11.711 5.131 2.696 1.00 35.10 H new ATOM 0 HB VAL A 21 -11.759 4.427 -0.194 1.00 60.01 H new ATOM 0 HG11 VAL A 21 -13.129 2.488 0.648 1.00 41.53 H new ATOM 0 HG12 VAL A 21 -11.543 2.578 1.451 1.00 41.53 H new ATOM 0 HG13 VAL A 21 -13.003 3.144 2.297 1.00 41.53 H new ATOM 0 HG21 VAL A 21 -14.286 4.430 -0.068 1.00 64.13 H new ATOM 0 HG22 VAL A 21 -14.177 5.152 1.556 1.00 64.13 H new ATOM 0 HG23 VAL A 21 -13.614 6.065 0.136 1.00 64.13 H new ATOM 295 N LEU A 22 -9.475 3.903 1.992 1.00 72.43 N ATOM 296 CA LEU A 22 -8.161 3.350 1.685 1.00 44.14 C ATOM 297 C LEU A 22 -8.303 2.286 0.589 1.00 63.45 C ATOM 298 O LEU A 22 -9.368 1.668 0.494 1.00 71.23 O ATOM 299 CB LEU A 22 -7.583 2.690 2.946 1.00 61.31 C ATOM 300 CG LEU A 22 -7.195 3.683 4.056 1.00 44.31 C ATOM 301 CD1 LEU A 22 -6.817 2.903 5.316 1.00 32.24 C ATOM 302 CD2 LEU A 22 -6.029 4.585 3.633 1.00 24.31 C ATOM 0 H LEU A 22 -10.025 3.315 2.618 1.00 72.43 H new ATOM 0 HA LEU A 22 -7.500 4.147 1.345 1.00 44.14 H new ATOM 0 HB2 LEU A 22 -8.315 1.987 3.343 1.00 61.31 H new ATOM 0 HB3 LEU A 22 -6.703 2.111 2.668 1.00 61.31 H new ATOM 0 HG LEU A 22 -8.052 4.327 4.253 1.00 44.31 H new ATOM 0 HD11 LEU A 22 -6.541 3.601 6.107 1.00 32.24 H new ATOM 0 HD12 LEU A 22 -7.667 2.304 5.642 1.00 32.24 H new ATOM 0 HD13 LEU A 22 -5.973 2.248 5.099 1.00 32.24 H new ATOM 0 HD21 LEU A 22 -5.787 5.271 4.445 1.00 24.31 H new ATOM 0 HD22 LEU A 22 -5.158 3.971 3.405 1.00 24.31 H new ATOM 0 HD23 LEU A 22 -6.313 5.155 2.748 1.00 24.31 H new ATOM 313 N PRO A 23 -7.243 1.993 -0.187 1.00 14.42 N ATOM 314 CA PRO A 23 -7.206 0.834 -1.078 1.00 4.14 C ATOM 315 C PRO A 23 -7.361 -0.492 -0.298 1.00 32.04 C ATOM 316 O PRO A 23 -7.295 -0.511 0.940 1.00 60.01 O ATOM 317 CB PRO A 23 -5.878 0.940 -1.842 1.00 60.12 C ATOM 318 CG PRO A 23 -5.018 1.874 -1.004 1.00 61.14 C ATOM 319 CD PRO A 23 -6.019 2.771 -0.292 1.00 72.24 C ATOM 0 HA PRO A 23 -8.043 0.829 -1.776 1.00 4.14 H new ATOM 0 HB2 PRO A 23 -5.407 -0.037 -1.954 1.00 60.12 H new ATOM 0 HB3 PRO A 23 -6.030 1.337 -2.846 1.00 60.12 H new ATOM 0 HG2 PRO A 23 -4.405 1.320 -0.293 1.00 61.14 H new ATOM 0 HG3 PRO A 23 -4.337 2.454 -1.627 1.00 61.14 H new ATOM 0 HD2 PRO A 23 -5.653 3.060 0.693 1.00 72.24 H new ATOM 0 HD3 PRO A 23 -6.187 3.691 -0.852 1.00 72.24 H new ATOM 324 N PRO A 24 -7.625 -1.614 -0.991 1.00 61.01 N ATOM 325 CA PRO A 24 -7.815 -2.915 -0.358 1.00 23.14 C ATOM 326 C PRO A 24 -6.491 -3.526 0.130 1.00 31.14 C ATOM 327 O PRO A 24 -5.399 -3.071 -0.225 1.00 43.50 O ATOM 328 CB PRO A 24 -8.492 -3.776 -1.429 1.00 2.24 C ATOM 329 CG PRO A 24 -8.013 -3.182 -2.750 1.00 24.12 C ATOM 330 CD PRO A 24 -7.860 -1.699 -2.428 1.00 61.24 C ATOM 0 HA PRO A 24 -8.422 -2.840 0.544 1.00 23.14 H new ATOM 0 HB2 PRO A 24 -8.205 -4.824 -1.337 1.00 2.24 H new ATOM 0 HB3 PRO A 24 -9.578 -3.734 -1.345 1.00 2.24 H new ATOM 0 HG2 PRO A 24 -7.070 -3.624 -3.072 1.00 24.12 H new ATOM 0 HG3 PRO A 24 -8.733 -3.348 -3.551 1.00 24.12 H new ATOM 0 HD2 PRO A 24 -7.030 -1.264 -2.984 1.00 61.24 H new ATOM 0 HD3 PRO A 24 -8.756 -1.146 -2.709 1.00 61.24 H new ATOM 335 N THR A 25 -6.590 -4.605 0.907 1.00 62.21 N ATOM 336 CA THR A 25 -5.462 -5.340 1.475 1.00 4.55 C ATOM 337 C THR A 25 -5.711 -6.850 1.324 1.00 41.14 C ATOM 338 O THR A 25 -6.878 -7.259 1.251 1.00 71.31 O ATOM 339 CB THR A 25 -5.244 -4.921 2.954 1.00 63.11 C ATOM 340 OG1 THR A 25 -6.286 -4.134 3.514 1.00 2.34 O ATOM 341 CG2 THR A 25 -3.993 -4.052 3.075 1.00 54.50 C ATOM 0 H THR A 25 -7.492 -5.005 1.167 1.00 62.21 H new ATOM 0 HA THR A 25 -4.545 -5.098 0.937 1.00 4.55 H new ATOM 0 HB THR A 25 -5.183 -5.870 3.487 1.00 63.11 H new ATOM 0 HG1 THR A 25 -6.068 -3.917 4.445 1.00 2.34 H new ATOM 0 HG21 THR A 25 -3.850 -3.764 4.116 1.00 54.50 H new ATOM 0 HG22 THR A 25 -3.125 -4.614 2.731 1.00 54.50 H new ATOM 0 HG23 THR A 25 -4.111 -3.157 2.464 1.00 54.50 H new ATOM 349 N PRO A 26 -4.654 -7.689 1.274 1.00 53.52 N ATOM 350 CA PRO A 26 -4.823 -9.126 1.139 1.00 73.32 C ATOM 351 C PRO A 26 -5.501 -9.677 2.388 1.00 40.53 C ATOM 352 O PRO A 26 -5.273 -9.185 3.494 1.00 23.31 O ATOM 353 CB PRO A 26 -3.426 -9.716 0.940 1.00 62.34 C ATOM 354 CG PRO A 26 -2.489 -8.668 1.530 1.00 53.41 C ATOM 355 CD PRO A 26 -3.247 -7.345 1.422 1.00 64.40 C ATOM 0 HA PRO A 26 -5.457 -9.388 0.292 1.00 73.32 H new ATOM 0 HB2 PRO A 26 -3.322 -10.674 1.449 1.00 62.34 H new ATOM 0 HB3 PRO A 26 -3.214 -9.891 -0.115 1.00 62.34 H new ATOM 0 HG2 PRO A 26 -2.244 -8.898 2.567 1.00 53.41 H new ATOM 0 HG3 PRO A 26 -1.548 -8.628 0.982 1.00 53.41 H new ATOM 0 HD2 PRO A 26 -3.088 -6.733 2.310 1.00 64.40 H new ATOM 0 HD3 PRO A 26 -2.897 -6.765 0.568 1.00 64.40 H new ATOM 360 N LYS A 27 -6.285 -10.743 2.231 1.00 24.41 N ATOM 361 CA LYS A 27 -7.115 -11.305 3.295 1.00 1.45 C ATOM 362 C LYS A 27 -6.312 -12.118 4.319 1.00 20.41 C ATOM 363 O LYS A 27 -6.785 -13.148 4.793 1.00 71.04 O ATOM 364 CB LYS A 27 -8.339 -12.035 2.699 1.00 4.43 C ATOM 365 CG LYS A 27 -7.994 -13.224 1.797 1.00 32.41 C ATOM 366 CD LYS A 27 -9.202 -14.151 1.573 1.00 44.52 C ATOM 367 CE LYS A 27 -8.687 -15.452 0.951 1.00 64.44 C ATOM 368 NZ LYS A 27 -9.660 -16.559 0.993 1.00 61.13 N ATOM 0 H LYS A 27 -6.362 -11.248 1.348 1.00 24.41 H new ATOM 0 HA LYS A 27 -7.513 -10.482 3.889 1.00 1.45 H new ATOM 0 HB2 LYS A 27 -8.970 -12.386 3.516 1.00 4.43 H new ATOM 0 HB3 LYS A 27 -8.929 -11.320 2.126 1.00 4.43 H new ATOM 0 HG2 LYS A 27 -7.636 -12.857 0.835 1.00 32.41 H new ATOM 0 HG3 LYS A 27 -7.179 -13.793 2.244 1.00 32.41 H new ATOM 0 HD2 LYS A 27 -9.708 -14.353 2.517 1.00 44.52 H new ATOM 0 HD3 LYS A 27 -9.931 -13.676 0.916 1.00 44.52 H new ATOM 0 HE2 LYS A 27 -8.411 -15.263 -0.086 1.00 64.44 H new ATOM 0 HE3 LYS A 27 -7.780 -15.758 1.472 1.00 64.44 H new ATOM 0 HZ1 LYS A 27 -9.243 -17.405 0.555 1.00 61.13 H new ATOM 0 HZ2 LYS A 27 -9.907 -16.767 1.982 1.00 61.13 H new ATOM 0 HZ3 LYS A 27 -10.518 -16.287 0.472 1.00 61.13 H new ATOM 378 N ASN A 28 -5.102 -11.680 4.669 1.00 33.02 N ATOM 379 CA ASN A 28 -4.167 -12.352 5.540 1.00 63.02 C ATOM 380 C ASN A 28 -3.882 -11.459 6.731 1.00 64.12 C ATOM 381 O ASN A 28 -3.943 -11.912 7.874 1.00 13.15 O ATOM 382 CB ASN A 28 -2.873 -12.678 4.773 1.00 32.45 C ATOM 383 CG ASN A 28 -3.038 -13.954 3.972 1.00 23.23 C ATOM 384 OD1 ASN A 28 -2.474 -14.982 4.333 1.00 75.33 O ATOM 385 ND2 ASN A 28 -3.846 -13.934 2.925 1.00 44.43 N ATOM 0 H ASN A 28 -4.737 -10.792 4.325 1.00 33.02 H new ATOM 0 HA ASN A 28 -4.592 -13.292 5.892 1.00 63.02 H new ATOM 0 HB2 ASN A 28 -2.621 -11.853 4.106 1.00 32.45 H new ATOM 0 HB3 ASN A 28 -2.045 -12.786 5.474 1.00 32.45 H new ATOM 0 HD21 ASN A 28 -4.014 -14.789 2.394 1.00 44.43 H new ATOM 0 HD22 ASN A 28 -4.301 -13.064 2.649 1.00 44.43 H new ATOM 391 N ILE A 29 -3.535 -10.194 6.479 1.00 33.41 N ATOM 392 CA ILE A 29 -3.108 -9.266 7.511 1.00 32.32 C ATOM 393 C ILE A 29 -3.607 -7.863 7.134 1.00 20.31 C ATOM 394 O ILE A 29 -3.776 -7.577 5.946 1.00 2.51 O ATOM 395 CB ILE A 29 -1.569 -9.306 7.689 1.00 23.03 C ATOM 396 CG1 ILE A 29 -0.747 -8.599 6.598 1.00 3.54 C ATOM 397 CG2 ILE A 29 -1.000 -10.712 7.855 1.00 31.11 C ATOM 398 CD1 ILE A 29 -0.757 -9.247 5.215 1.00 1.33 C ATOM 0 H ILE A 29 -3.545 -9.789 5.543 1.00 33.41 H new ATOM 0 HA ILE A 29 -3.536 -9.550 8.473 1.00 32.32 H new ATOM 0 HB ILE A 29 -1.458 -8.742 8.615 1.00 23.03 H new ATOM 0 HG12 ILE A 29 -1.116 -7.578 6.500 1.00 3.54 H new ATOM 0 HG13 ILE A 29 0.287 -8.533 6.937 1.00 3.54 H new ATOM 0 HG21 ILE A 29 0.082 -10.655 7.974 1.00 31.11 H new ATOM 0 HG22 ILE A 29 -1.438 -11.180 8.737 1.00 31.11 H new ATOM 0 HG23 ILE A 29 -1.237 -11.307 6.973 1.00 31.11 H new ATOM 0 HD11 ILE A 29 -0.143 -8.658 4.533 1.00 1.33 H new ATOM 0 HD12 ILE A 29 -0.355 -10.258 5.284 1.00 1.33 H new ATOM 0 HD13 ILE A 29 -1.780 -9.288 4.840 1.00 1.33 H new ATOM 409 N PRO A 30 -3.799 -6.968 8.112 1.00 52.53 N ATOM 410 CA PRO A 30 -4.310 -5.624 7.866 1.00 33.03 C ATOM 411 C PRO A 30 -3.229 -4.702 7.288 1.00 72.40 C ATOM 412 O PRO A 30 -2.050 -5.038 7.340 1.00 63.22 O ATOM 413 CB PRO A 30 -4.774 -5.156 9.247 1.00 1.11 C ATOM 414 CG PRO A 30 -3.798 -5.850 10.199 1.00 51.30 C ATOM 415 CD PRO A 30 -3.611 -7.206 9.535 1.00 51.12 C ATOM 0 HA PRO A 30 -5.111 -5.609 7.127 1.00 33.03 H new ATOM 0 HB2 PRO A 30 -4.726 -4.071 9.342 1.00 1.11 H new ATOM 0 HB3 PRO A 30 -5.805 -5.448 9.445 1.00 1.11 H new ATOM 0 HG2 PRO A 30 -2.857 -5.306 10.286 1.00 51.30 H new ATOM 0 HG3 PRO A 30 -4.207 -5.942 11.205 1.00 51.30 H new ATOM 0 HD2 PRO A 30 -2.619 -7.610 9.738 1.00 51.12 H new ATOM 0 HD3 PRO A 30 -4.333 -7.931 9.911 1.00 51.12 H new ATOM 420 N LEU A 31 -3.598 -3.492 6.843 1.00 20.04 N ATOM 421 CA LEU A 31 -2.678 -2.439 6.375 1.00 21.02 C ATOM 422 C LEU A 31 -1.414 -2.308 7.233 1.00 40.21 C ATOM 423 O LEU A 31 -0.329 -2.481 6.682 1.00 11.32 O ATOM 424 CB LEU A 31 -3.424 -1.100 6.213 1.00 74.10 C ATOM 425 CG LEU A 31 -2.626 0.136 5.728 1.00 20.04 C ATOM 426 CD1 LEU A 31 -1.907 0.903 6.850 1.00 74.14 C ATOM 427 CD2 LEU A 31 -1.613 -0.150 4.616 1.00 60.22 C ATOM 0 H LEU A 31 -4.576 -3.208 6.796 1.00 20.04 H new ATOM 0 HA LEU A 31 -2.317 -2.744 5.393 1.00 21.02 H new ATOM 0 HB2 LEU A 31 -4.245 -1.260 5.514 1.00 74.10 H new ATOM 0 HB3 LEU A 31 -3.870 -0.850 7.176 1.00 74.10 H new ATOM 0 HG LEU A 31 -3.418 0.763 5.319 1.00 20.04 H new ATOM 0 HD11 LEU A 31 -1.373 1.753 6.425 1.00 74.14 H new ATOM 0 HD12 LEU A 31 -2.639 1.260 7.574 1.00 74.14 H new ATOM 0 HD13 LEU A 31 -1.198 0.241 7.347 1.00 74.14 H new ATOM 0 HD21 LEU A 31 -1.103 0.774 4.342 1.00 60.22 H new ATOM 0 HD22 LEU A 31 -0.882 -0.877 4.968 1.00 60.22 H new ATOM 0 HD23 LEU A 31 -2.132 -0.550 3.745 1.00 60.22 H new ATOM 438 N PRO A 32 -1.481 -2.054 8.552 1.00 44.11 N ATOM 439 CA PRO A 32 -0.290 -1.885 9.385 1.00 31.35 C ATOM 440 C PRO A 32 0.568 -3.152 9.499 1.00 41.44 C ATOM 441 O PRO A 32 1.678 -3.081 10.015 1.00 60.21 O ATOM 442 CB PRO A 32 -0.808 -1.429 10.755 1.00 4.35 C ATOM 443 CG PRO A 32 -2.225 -1.992 10.782 1.00 42.30 C ATOM 444 CD PRO A 32 -2.668 -1.791 9.341 1.00 71.13 C ATOM 0 HA PRO A 32 0.382 -1.155 8.934 1.00 31.35 H new ATOM 0 HB2 PRO A 32 -0.200 -1.823 11.569 1.00 4.35 H new ATOM 0 HB3 PRO A 32 -0.802 -0.343 10.849 1.00 4.35 H new ATOM 0 HG2 PRO A 32 -2.242 -3.043 11.072 1.00 42.30 H new ATOM 0 HG3 PRO A 32 -2.864 -1.457 11.484 1.00 42.30 H new ATOM 0 HD2 PRO A 32 -3.478 -2.471 9.077 1.00 71.13 H new ATOM 0 HD3 PRO A 32 -3.036 -0.778 9.177 1.00 71.13 H new ATOM 449 N ALA A 33 0.109 -4.314 9.037 1.00 14.51 N ATOM 450 CA ALA A 33 0.905 -5.526 8.991 1.00 35.31 C ATOM 451 C ALA A 33 1.417 -5.748 7.573 1.00 34.15 C ATOM 452 O ALA A 33 2.584 -6.096 7.409 1.00 41.40 O ATOM 453 CB ALA A 33 0.056 -6.685 9.491 1.00 20.45 C ATOM 0 H ALA A 33 -0.839 -4.435 8.681 1.00 14.51 H new ATOM 0 HA ALA A 33 1.779 -5.444 9.637 1.00 35.31 H new ATOM 0 HB1 ALA A 33 0.642 -7.604 9.462 1.00 20.45 H new ATOM 0 HB2 ALA A 33 -0.261 -6.489 10.515 1.00 20.45 H new ATOM 0 HB3 ALA A 33 -0.822 -6.794 8.854 1.00 20.45 H new ATOM 459 N PHE A 34 0.590 -5.457 6.563 1.00 64.03 N ATOM 460 CA PHE A 34 0.856 -5.657 5.139 1.00 13.22 C ATOM 461 C PHE A 34 2.052 -4.844 4.600 1.00 32.35 C ATOM 462 O PHE A 34 2.367 -4.880 3.413 1.00 13.32 O ATOM 463 CB PHE A 34 -0.438 -5.407 4.335 1.00 24.13 C ATOM 464 CG PHE A 34 -0.284 -5.640 2.842 1.00 55.12 C ATOM 465 CD1 PHE A 34 0.304 -6.836 2.377 1.00 44.52 C ATOM 466 CD2 PHE A 34 -0.584 -4.606 1.929 1.00 1.31 C ATOM 467 CE1 PHE A 34 0.646 -6.963 1.022 1.00 3.11 C ATOM 468 CE2 PHE A 34 -0.269 -4.755 0.568 1.00 11.32 C ATOM 469 CZ PHE A 34 0.374 -5.920 0.121 1.00 51.20 C ATOM 0 H PHE A 34 -0.332 -5.054 6.729 1.00 64.03 H new ATOM 0 HA PHE A 34 1.164 -6.694 5.009 1.00 13.22 H new ATOM 0 HB2 PHE A 34 -1.224 -6.059 4.716 1.00 24.13 H new ATOM 0 HB3 PHE A 34 -0.766 -4.381 4.502 1.00 24.13 H new ATOM 0 HD1 PHE A 34 0.490 -7.650 3.062 1.00 44.52 H new ATOM 0 HD2 PHE A 34 -1.056 -3.699 2.277 1.00 1.31 H new ATOM 0 HE1 PHE A 34 1.121 -7.867 0.670 1.00 3.11 H new ATOM 0 HE2 PHE A 34 -0.521 -3.974 -0.134 1.00 11.32 H new ATOM 0 HZ PHE A 34 0.660 -6.015 -0.916 1.00 51.20 H new ATOM 478 N GLY A 35 2.756 -4.118 5.457 1.00 2.41 N ATOM 479 CA GLY A 35 3.970 -3.419 5.117 1.00 23.21 C ATOM 480 C GLY A 35 4.962 -3.586 6.246 1.00 71.23 C ATOM 481 O GLY A 35 6.012 -4.178 6.035 1.00 71.14 O ATOM 0 H GLY A 35 2.484 -4.001 6.433 1.00 2.41 H new ATOM 0 HA2 GLY A 35 4.385 -3.813 4.189 1.00 23.21 H new ATOM 0 HA3 GLY A 35 3.763 -2.362 4.950 1.00 23.21 H new ATOM 485 N GLN A 36 4.615 -3.127 7.452 1.00 43.54 N ATOM 486 CA GLN A 36 5.548 -3.111 8.576 1.00 41.54 C ATOM 487 C GLN A 36 6.149 -4.490 8.830 1.00 2.34 C ATOM 488 O GLN A 36 7.336 -4.588 9.149 1.00 44.31 O ATOM 489 CB GLN A 36 4.912 -2.546 9.867 1.00 42.34 C ATOM 490 CG GLN A 36 4.160 -1.215 9.699 1.00 20.21 C ATOM 491 CD GLN A 36 3.390 -0.789 10.954 1.00 61.30 C ATOM 492 OE1 GLN A 36 3.590 -1.299 12.061 1.00 41.51 O ATOM 493 NE2 GLN A 36 2.455 0.131 10.807 1.00 71.02 N ATOM 0 H GLN A 36 3.689 -2.760 7.673 1.00 43.54 H new ATOM 0 HA GLN A 36 6.355 -2.436 8.291 1.00 41.54 H new ATOM 0 HB2 GLN A 36 4.220 -3.288 10.267 1.00 42.34 H new ATOM 0 HB3 GLN A 36 5.698 -2.410 10.610 1.00 42.34 H new ATOM 0 HG2 GLN A 36 4.873 -0.434 9.437 1.00 20.21 H new ATOM 0 HG3 GLN A 36 3.463 -1.303 8.866 1.00 20.21 H new ATOM 0 HE21 GLN A 36 2.292 0.551 9.892 1.00 71.02 H new ATOM 0 HE22 GLN A 36 1.896 0.422 11.609 1.00 71.02 H new ATOM 500 N ARG A 37 5.356 -5.549 8.688 1.00 33.42 N ATOM 501 CA ARG A 37 5.731 -6.938 8.936 1.00 42.14 C ATOM 502 C ARG A 37 5.852 -7.808 7.691 1.00 20.43 C ATOM 503 O ARG A 37 6.068 -9.014 7.801 1.00 2.34 O ATOM 504 CB ARG A 37 4.943 -7.553 10.103 1.00 1.41 C ATOM 505 CG ARG A 37 3.614 -6.929 10.485 1.00 72.32 C ATOM 506 CD ARG A 37 3.173 -7.529 11.815 1.00 15.22 C ATOM 507 NE ARG A 37 2.107 -6.784 12.499 1.00 61.31 N ATOM 508 CZ ARG A 37 1.613 -7.170 13.680 1.00 2.45 C ATOM 509 NH1 ARG A 37 2.077 -8.264 14.283 1.00 51.12 N ATOM 510 NH2 ARG A 37 0.642 -6.471 14.252 1.00 23.25 N ATOM 0 H ARG A 37 4.387 -5.457 8.382 1.00 33.42 H new ATOM 0 HA ARG A 37 6.766 -6.908 9.277 1.00 42.14 H new ATOM 0 HB2 ARG A 37 4.761 -8.601 9.865 1.00 1.41 H new ATOM 0 HB3 ARG A 37 5.585 -7.533 10.984 1.00 1.41 H new ATOM 0 HG2 ARG A 37 3.712 -5.847 10.570 1.00 72.32 H new ATOM 0 HG3 ARG A 37 2.868 -7.122 9.714 1.00 72.32 H new ATOM 0 HD2 ARG A 37 2.832 -8.550 11.643 1.00 15.22 H new ATOM 0 HD3 ARG A 37 4.038 -7.589 12.476 1.00 15.22 H new ATOM 0 HE ARG A 37 1.731 -5.944 12.058 1.00 61.31 H new ATOM 0 HH11 ARG A 37 2.815 -8.814 13.844 1.00 51.12 H new ATOM 0 HH12 ARG A 37 1.694 -8.551 15.184 1.00 51.12 H new ATOM 0 HH21 ARG A 37 0.272 -5.640 13.791 1.00 23.25 H new ATOM 0 HH22 ARG A 37 0.265 -6.765 15.153 1.00 23.25 H new ATOM 521 N ILE A 38 5.743 -7.219 6.504 1.00 41.21 N ATOM 522 CA ILE A 38 5.637 -7.951 5.249 1.00 13.21 C ATOM 523 C ILE A 38 6.615 -7.342 4.246 1.00 20.43 C ATOM 524 O ILE A 38 7.450 -8.059 3.708 1.00 20.45 O ATOM 525 CB ILE A 38 4.154 -7.936 4.808 1.00 44.31 C ATOM 526 CG1 ILE A 38 3.260 -8.774 5.760 1.00 13.52 C ATOM 527 CG2 ILE A 38 3.955 -8.369 3.345 1.00 63.44 C ATOM 528 CD1 ILE A 38 3.341 -10.287 5.573 1.00 24.42 C ATOM 0 H ILE A 38 5.726 -6.206 6.387 1.00 41.21 H new ATOM 0 HA ILE A 38 5.920 -9.000 5.341 1.00 13.21 H new ATOM 0 HB ILE A 38 3.837 -6.895 4.873 1.00 44.31 H new ATOM 0 HG12 ILE A 38 3.532 -8.537 6.789 1.00 13.52 H new ATOM 0 HG13 ILE A 38 2.224 -8.463 5.625 1.00 13.52 H new ATOM 0 HG21 ILE A 38 2.894 -8.337 3.097 1.00 63.44 H new ATOM 0 HG22 ILE A 38 4.501 -7.693 2.688 1.00 63.44 H new ATOM 0 HG23 ILE A 38 4.328 -9.384 3.212 1.00 63.44 H new ATOM 0 HD11 ILE A 38 2.679 -10.778 6.286 1.00 24.42 H new ATOM 0 HD12 ILE A 38 3.037 -10.545 4.559 1.00 24.42 H new ATOM 0 HD13 ILE A 38 4.365 -10.620 5.740 1.00 24.42 H new ATOM 539 N ILE A 39 6.544 -6.036 4.010 1.00 40.13 N ATOM 540 CA ILE A 39 7.405 -5.305 3.084 1.00 72.11 C ATOM 541 C ILE A 39 8.694 -4.845 3.803 1.00 42.53 C ATOM 542 O ILE A 39 9.556 -4.218 3.194 1.00 3.53 O ATOM 543 CB ILE A 39 6.573 -4.134 2.501 1.00 14.22 C ATOM 544 CG1 ILE A 39 5.234 -4.563 1.838 1.00 20.11 C ATOM 545 CG2 ILE A 39 7.335 -3.269 1.502 1.00 22.31 C ATOM 546 CD1 ILE A 39 5.316 -5.251 0.471 1.00 33.44 C ATOM 0 H ILE A 39 5.862 -5.436 4.474 1.00 40.13 H new ATOM 0 HA ILE A 39 7.739 -5.935 2.259 1.00 72.11 H new ATOM 0 HB ILE A 39 6.352 -3.547 3.393 1.00 14.22 H new ATOM 0 HG12 ILE A 39 4.718 -5.235 2.524 1.00 20.11 H new ATOM 0 HG13 ILE A 39 4.610 -3.675 1.732 1.00 20.11 H new ATOM 0 HG21 ILE A 39 6.685 -2.472 1.140 1.00 22.31 H new ATOM 0 HG22 ILE A 39 8.207 -2.833 1.989 1.00 22.31 H new ATOM 0 HG23 ILE A 39 7.659 -3.883 0.662 1.00 22.31 H new ATOM 0 HD11 ILE A 39 4.311 -5.496 0.126 1.00 33.44 H new ATOM 0 HD12 ILE A 39 5.793 -4.582 -0.245 1.00 33.44 H new ATOM 0 HD13 ILE A 39 5.902 -6.166 0.559 1.00 33.44 H new ATOM 557 N GLY A 40 8.839 -5.091 5.110 1.00 24.45 N ATOM 558 CA GLY A 40 10.063 -4.797 5.848 1.00 63.24 C ATOM 559 C GLY A 40 10.307 -3.310 6.102 1.00 31.34 C ATOM 560 O GLY A 40 11.258 -2.978 6.801 1.00 41.12 O ATOM 0 H GLY A 40 8.103 -5.502 5.685 1.00 24.45 H new ATOM 0 HA2 GLY A 40 10.028 -5.316 6.806 1.00 63.24 H new ATOM 0 HA3 GLY A 40 10.911 -5.203 5.297 1.00 63.24 H new ATOM 564 N TRP A 41 9.470 -2.395 5.603 1.00 72.33 N ATOM 565 CA TRP A 41 9.745 -0.955 5.493 1.00 24.34 C ATOM 566 C TRP A 41 9.738 -0.171 6.821 1.00 32.21 C ATOM 567 O TRP A 41 9.554 1.048 6.814 1.00 4.54 O ATOM 568 CB TRP A 41 8.781 -0.360 4.447 1.00 51.51 C ATOM 569 CG TRP A 41 7.308 -0.308 4.747 1.00 51.43 C ATOM 570 CD1 TRP A 41 6.726 -0.588 5.935 1.00 60.13 C ATOM 571 CD2 TRP A 41 6.206 0.023 3.839 1.00 33.44 C ATOM 572 NE1 TRP A 41 5.364 -0.430 5.842 1.00 23.41 N ATOM 573 CE2 TRP A 41 4.984 -0.128 4.556 1.00 54.40 C ATOM 574 CE3 TRP A 41 6.089 0.445 2.495 1.00 44.44 C ATOM 575 CZ2 TRP A 41 3.729 0.061 3.964 1.00 64.00 C ATOM 576 CZ3 TRP A 41 4.828 0.620 1.883 1.00 60.13 C ATOM 577 CH2 TRP A 41 3.645 0.422 2.615 1.00 2.15 C ATOM 0 H TRP A 41 8.546 -2.645 5.250 1.00 72.33 H new ATOM 0 HA TRP A 41 10.779 -0.847 5.167 1.00 24.34 H new ATOM 0 HB2 TRP A 41 9.109 0.659 4.242 1.00 51.51 H new ATOM 0 HB3 TRP A 41 8.907 -0.928 3.525 1.00 51.51 H new ATOM 0 HD1 TRP A 41 7.254 -0.891 6.827 1.00 60.13 H new ATOM 0 HE1 TRP A 41 4.718 -0.525 6.626 1.00 23.41 H new ATOM 0 HE3 TRP A 41 6.984 0.638 1.923 1.00 44.44 H new ATOM 0 HZ2 TRP A 41 2.829 -0.071 4.547 1.00 64.00 H new ATOM 0 HZ3 TRP A 41 4.773 0.908 0.844 1.00 60.13 H new ATOM 0 HH2 TRP A 41 2.682 0.547 2.142 1.00 2.15 H new ATOM 587 N GLY A 42 9.853 -0.847 7.965 1.00 14.51 N ATOM 588 CA GLY A 42 9.661 -0.272 9.286 1.00 61.14 C ATOM 589 C GLY A 42 8.237 0.243 9.349 1.00 13.25 C ATOM 590 O GLY A 42 7.305 -0.549 9.268 1.00 2.54 O ATOM 0 H GLY A 42 10.089 -1.839 7.993 1.00 14.51 H new ATOM 0 HA2 GLY A 42 9.834 -1.020 10.060 1.00 61.14 H new ATOM 0 HA3 GLY A 42 10.371 0.537 9.460 1.00 61.14 H new ATOM 594 N THR A 43 8.048 1.564 9.404 1.00 75.32 N ATOM 595 CA THR A 43 6.714 2.151 9.214 1.00 4.24 C ATOM 596 C THR A 43 6.743 3.647 8.877 1.00 22.20 C ATOM 597 O THR A 43 5.738 4.353 9.012 1.00 35.34 O ATOM 598 CB THR A 43 5.849 1.877 10.463 1.00 23.43 C ATOM 599 OG1 THR A 43 4.494 2.170 10.194 1.00 23.03 O ATOM 600 CG2 THR A 43 6.305 2.649 11.696 1.00 23.10 C ATOM 0 H THR A 43 8.790 2.242 9.576 1.00 75.32 H new ATOM 0 HA THR A 43 6.270 1.668 8.343 1.00 4.24 H new ATOM 0 HB THR A 43 5.968 0.818 10.690 1.00 23.43 H new ATOM 0 HG1 THR A 43 4.435 3.006 9.686 1.00 23.03 H new ATOM 0 HG21 THR A 43 5.654 2.410 12.537 1.00 23.10 H new ATOM 0 HG22 THR A 43 7.330 2.371 11.941 1.00 23.10 H new ATOM 0 HG23 THR A 43 6.258 3.719 11.493 1.00 23.10 H new ATOM 608 N GLY A 44 7.906 4.154 8.489 1.00 34.31 N ATOM 609 CA GLY A 44 8.161 5.586 8.461 1.00 2.33 C ATOM 610 C GLY A 44 9.087 5.942 7.320 1.00 51.43 C ATOM 611 O GLY A 44 9.575 5.059 6.617 1.00 53.42 O ATOM 0 H GLY A 44 8.696 3.585 8.186 1.00 34.31 H new ATOM 0 HA2 GLY A 44 7.220 6.126 8.354 1.00 2.33 H new ATOM 0 HA3 GLY A 44 8.603 5.900 9.406 1.00 2.33 H new ATOM 615 N ALA A 45 9.350 7.241 7.184 1.00 64.43 N ATOM 616 CA ALA A 45 10.168 7.769 6.097 1.00 71.33 C ATOM 617 C ALA A 45 11.514 7.051 6.080 1.00 52.14 C ATOM 618 O ALA A 45 11.935 6.540 5.050 1.00 62.04 O ATOM 619 CB ALA A 45 10.370 9.281 6.242 1.00 12.30 C ATOM 0 H ALA A 45 9.002 7.955 7.824 1.00 64.43 H new ATOM 0 HA ALA A 45 9.651 7.593 5.153 1.00 71.33 H new ATOM 0 HB1 ALA A 45 10.983 9.647 5.418 1.00 12.30 H new ATOM 0 HB2 ALA A 45 9.402 9.781 6.223 1.00 12.30 H new ATOM 0 HB3 ALA A 45 10.869 9.492 7.188 1.00 12.30 H new ATOM 625 N GLU A 46 12.183 7.000 7.226 1.00 1.44 N ATOM 626 CA GLU A 46 13.498 6.415 7.366 1.00 15.24 C ATOM 627 C GLU A 46 13.480 4.892 7.217 1.00 75.24 C ATOM 628 O GLU A 46 14.373 4.316 6.590 1.00 1.31 O ATOM 629 CB GLU A 46 14.023 6.838 8.739 1.00 35.02 C ATOM 630 CG GLU A 46 15.495 7.212 8.685 1.00 75.24 C ATOM 631 CD GLU A 46 16.354 6.278 9.522 1.00 2.40 C ATOM 632 OE1 GLU A 46 16.628 5.161 9.042 1.00 1.53 O ATOM 633 OE2 GLU A 46 16.821 6.712 10.604 1.00 72.23 O ATOM 0 H GLU A 46 11.812 7.374 8.099 1.00 1.44 H new ATOM 0 HA GLU A 46 14.152 6.770 6.570 1.00 15.24 H new ATOM 0 HB2 GLU A 46 13.445 7.687 9.104 1.00 35.02 H new ATOM 0 HB3 GLU A 46 13.880 6.025 9.450 1.00 35.02 H new ATOM 0 HG2 GLU A 46 15.837 7.188 7.650 1.00 75.24 H new ATOM 0 HG3 GLU A 46 15.622 8.235 9.039 1.00 75.24 H new ATOM 638 N GLY A 47 12.432 4.250 7.746 1.00 34.13 N ATOM 639 CA GLY A 47 12.141 2.831 7.552 1.00 0.23 C ATOM 640 C GLY A 47 12.157 2.476 6.068 1.00 55.51 C ATOM 641 O GLY A 47 12.934 1.633 5.615 1.00 52.52 O ATOM 0 H GLY A 47 11.746 4.719 8.337 1.00 34.13 H new ATOM 0 HA2 GLY A 47 12.877 2.228 8.083 1.00 0.23 H new ATOM 0 HA3 GLY A 47 11.166 2.593 7.978 1.00 0.23 H new ATOM 645 N ALA A 48 11.336 3.203 5.307 1.00 24.22 N ATOM 646 CA ALA A 48 11.148 2.981 3.892 1.00 31.20 C ATOM 647 C ALA A 48 12.378 3.413 3.096 1.00 62.34 C ATOM 648 O ALA A 48 12.683 2.772 2.100 1.00 71.35 O ATOM 649 CB ALA A 48 9.889 3.724 3.434 1.00 21.34 C ATOM 0 H ALA A 48 10.778 3.974 5.674 1.00 24.22 H new ATOM 0 HA ALA A 48 11.017 1.915 3.708 1.00 31.20 H new ATOM 0 HB1 ALA A 48 9.739 3.562 2.367 1.00 21.34 H new ATOM 0 HB2 ALA A 48 9.025 3.349 3.983 1.00 21.34 H new ATOM 0 HB3 ALA A 48 10.006 4.791 3.626 1.00 21.34 H new ATOM 655 N ARG A 49 13.114 4.456 3.504 1.00 24.10 N ATOM 656 CA ARG A 49 14.346 4.885 2.834 1.00 62.43 C ATOM 657 C ARG A 49 15.286 3.696 2.717 1.00 64.15 C ATOM 658 O ARG A 49 15.756 3.368 1.628 1.00 51.44 O ATOM 659 CB ARG A 49 15.000 6.037 3.624 1.00 14.44 C ATOM 660 CG ARG A 49 16.323 6.553 3.016 1.00 73.02 C ATOM 661 CD ARG A 49 17.031 7.537 3.965 1.00 43.42 C ATOM 662 NE ARG A 49 18.295 8.042 3.391 1.00 41.43 N ATOM 663 CZ ARG A 49 19.464 8.268 4.016 1.00 35.11 C ATOM 664 NH1 ARG A 49 19.584 8.217 5.341 1.00 21.13 N ATOM 665 NH2 ARG A 49 20.547 8.555 3.309 1.00 21.00 N ATOM 0 H ARG A 49 12.869 5.028 4.312 1.00 24.10 H new ATOM 0 HA ARG A 49 14.119 5.253 1.833 1.00 62.43 H new ATOM 0 HB2 ARG A 49 14.295 6.866 3.686 1.00 14.44 H new ATOM 0 HB3 ARG A 49 15.189 5.702 4.644 1.00 14.44 H new ATOM 0 HG2 ARG A 49 16.982 5.710 2.806 1.00 73.02 H new ATOM 0 HG3 ARG A 49 16.121 7.045 2.064 1.00 73.02 H new ATOM 0 HD2 ARG A 49 16.369 8.376 4.179 1.00 43.42 H new ATOM 0 HD3 ARG A 49 17.235 7.042 4.915 1.00 43.42 H new ATOM 0 HE ARG A 49 18.279 8.246 2.392 1.00 41.43 H new ATOM 0 HH11 ARG A 49 18.772 8.000 5.919 1.00 21.13 H new ATOM 0 HH12 ARG A 49 20.488 8.394 5.778 1.00 21.13 H new ATOM 0 HH21 ARG A 49 20.494 8.604 2.292 1.00 21.00 H new ATOM 0 HH22 ARG A 49 21.434 8.727 3.782 1.00 21.00 H new ATOM 676 N GLN A 50 15.555 3.055 3.851 1.00 33.00 N ATOM 677 CA GLN A 50 16.609 2.073 3.934 1.00 63.45 C ATOM 678 C GLN A 50 16.224 0.737 3.318 1.00 3.32 C ATOM 679 O GLN A 50 17.129 -0.061 3.093 1.00 41.23 O ATOM 680 CB GLN A 50 17.017 1.876 5.405 1.00 75.25 C ATOM 681 CG GLN A 50 17.751 3.090 5.988 1.00 20.23 C ATOM 682 CD GLN A 50 18.962 3.485 5.145 1.00 15.23 C ATOM 683 OE1 GLN A 50 19.781 2.653 4.765 1.00 35.11 O ATOM 684 NE2 GLN A 50 19.057 4.747 4.760 1.00 15.41 N ATOM 0 H GLN A 50 15.050 3.206 4.724 1.00 33.00 H new ATOM 0 HA GLN A 50 17.451 2.455 3.356 1.00 63.45 H new ATOM 0 HB2 GLN A 50 16.126 1.676 6.000 1.00 75.25 H new ATOM 0 HB3 GLN A 50 17.657 0.998 5.485 1.00 75.25 H new ATOM 0 HG2 GLN A 50 17.063 3.933 6.052 1.00 20.23 H new ATOM 0 HG3 GLN A 50 18.075 2.865 7.004 1.00 20.23 H new ATOM 0 HE21 GLN A 50 18.372 5.431 5.081 1.00 15.41 H new ATOM 0 HE22 GLN A 50 19.815 5.036 4.142 1.00 15.41 H new ATOM 691 N ARG A 51 14.945 0.497 3.020 1.00 22.23 N ATOM 692 CA ARG A 51 14.455 -0.753 2.439 1.00 24.02 C ATOM 693 C ARG A 51 13.998 -0.572 0.989 1.00 63.31 C ATOM 694 O ARG A 51 13.183 -1.344 0.494 1.00 22.23 O ATOM 695 CB ARG A 51 13.382 -1.374 3.357 1.00 72.20 C ATOM 696 CG ARG A 51 13.935 -1.820 4.720 1.00 53.13 C ATOM 697 CD ARG A 51 14.753 -3.116 4.639 1.00 4.51 C ATOM 698 NE ARG A 51 15.256 -3.482 5.970 1.00 53.13 N ATOM 699 CZ ARG A 51 16.072 -4.498 6.262 1.00 34.03 C ATOM 700 NH1 ARG A 51 16.341 -5.437 5.366 1.00 22.24 N ATOM 701 NH2 ARG A 51 16.596 -4.583 7.478 1.00 32.03 N ATOM 0 H ARG A 51 14.206 1.182 3.180 1.00 22.23 H new ATOM 0 HA ARG A 51 15.278 -1.465 2.383 1.00 24.02 H new ATOM 0 HB2 ARG A 51 12.585 -0.648 3.516 1.00 72.20 H new ATOM 0 HB3 ARG A 51 12.936 -2.232 2.855 1.00 72.20 H new ATOM 0 HG2 ARG A 51 14.561 -1.027 5.130 1.00 53.13 H new ATOM 0 HG3 ARG A 51 13.106 -1.962 5.413 1.00 53.13 H new ATOM 0 HD2 ARG A 51 14.134 -3.921 4.242 1.00 4.51 H new ATOM 0 HD3 ARG A 51 15.587 -2.986 3.950 1.00 4.51 H new ATOM 0 HE ARG A 51 14.951 -2.901 6.751 1.00 53.13 H new ATOM 0 HH11 ARG A 51 15.923 -5.390 4.437 1.00 22.24 H new ATOM 0 HH12 ARG A 51 16.967 -6.206 5.606 1.00 22.24 H new ATOM 0 HH21 ARG A 51 16.374 -3.876 8.179 1.00 32.03 H new ATOM 0 HH22 ARG A 51 17.220 -5.355 7.711 1.00 32.03 H new ATOM 712 N LEU A 52 14.449 0.492 0.317 1.00 0.45 N ATOM 713 CA LEU A 52 13.944 0.918 -0.987 1.00 22.34 C ATOM 714 C LEU A 52 15.065 0.932 -1.999 1.00 15.53 C ATOM 715 O LEU A 52 15.058 0.150 -2.948 1.00 22.04 O ATOM 716 CB LEU A 52 13.283 2.292 -0.816 1.00 20.24 C ATOM 717 CG LEU A 52 13.107 3.226 -2.028 1.00 43.25 C ATOM 718 CD1 LEU A 52 12.807 2.567 -3.382 1.00 33.30 C ATOM 719 CD2 LEU A 52 12.036 4.249 -1.644 1.00 3.53 C ATOM 0 H LEU A 52 15.192 1.093 0.675 1.00 0.45 H new ATOM 0 HA LEU A 52 13.197 0.221 -1.366 1.00 22.34 H new ATOM 0 HB2 LEU A 52 12.293 2.123 -0.392 1.00 20.24 H new ATOM 0 HB3 LEU A 52 13.861 2.837 -0.070 1.00 20.24 H new ATOM 0 HG LEU A 52 14.078 3.682 -2.222 1.00 43.25 H new ATOM 0 HD11 LEU A 52 12.707 3.337 -4.147 1.00 33.30 H new ATOM 0 HD12 LEU A 52 13.623 1.895 -3.648 1.00 33.30 H new ATOM 0 HD13 LEU A 52 11.878 2.001 -3.313 1.00 33.30 H new ATOM 0 HD21 LEU A 52 11.875 4.936 -2.474 1.00 3.53 H new ATOM 0 HD22 LEU A 52 11.104 3.732 -1.415 1.00 3.53 H new ATOM 0 HD23 LEU A 52 12.365 4.809 -0.768 1.00 3.53 H new ATOM 730 N GLU A 53 16.021 1.849 -1.831 1.00 35.32 N ATOM 731 CA GLU A 53 17.015 2.094 -2.876 1.00 20.24 C ATOM 732 C GLU A 53 17.965 0.898 -3.058 1.00 2.35 C ATOM 733 O GLU A 53 18.744 0.885 -4.012 1.00 31.42 O ATOM 734 CB GLU A 53 17.781 3.408 -2.629 1.00 40.12 C ATOM 735 CG GLU A 53 16.896 4.591 -2.186 1.00 22.04 C ATOM 736 CD GLU A 53 17.510 5.970 -2.480 1.00 73.13 C ATOM 737 OE1 GLU A 53 18.747 6.144 -2.371 1.00 14.22 O ATOM 738 OE2 GLU A 53 16.746 6.897 -2.865 1.00 3.51 O ATOM 0 H GLU A 53 16.127 2.425 -0.996 1.00 35.32 H new ATOM 0 HA GLU A 53 16.474 2.209 -3.815 1.00 20.24 H new ATOM 0 HB2 GLU A 53 18.540 3.233 -1.867 1.00 40.12 H new ATOM 0 HB3 GLU A 53 18.305 3.685 -3.543 1.00 40.12 H new ATOM 0 HG2 GLU A 53 15.931 4.519 -2.688 1.00 22.04 H new ATOM 0 HG3 GLU A 53 16.705 4.509 -1.116 1.00 22.04 H new ATOM 743 N ASN A 54 17.866 -0.116 -2.191 1.00 3.45 N ATOM 744 CA ASN A 54 18.709 -1.299 -2.128 1.00 61.44 C ATOM 745 C ASN A 54 17.874 -2.571 -1.941 1.00 3.21 C ATOM 746 O ASN A 54 18.413 -3.569 -1.466 1.00 20.15 O ATOM 747 CB ASN A 54 19.761 -1.161 -1.011 1.00 73.14 C ATOM 748 CG ASN A 54 19.128 -1.064 0.363 1.00 0.55 C ATOM 749 OD1 ASN A 54 19.066 -2.036 1.106 1.00 34.12 O ATOM 750 ND2 ASN A 54 18.620 0.101 0.717 1.00 13.24 N ATOM 0 H ASN A 54 17.145 -0.125 -1.470 1.00 3.45 H new ATOM 0 HA ASN A 54 19.232 -1.386 -3.080 1.00 61.44 H new ATOM 0 HB2 ASN A 54 20.433 -2.018 -1.040 1.00 73.14 H new ATOM 0 HB3 ASN A 54 20.368 -0.274 -1.193 1.00 73.14 H new ATOM 0 HD21 ASN A 54 18.165 0.205 1.624 1.00 13.24 H new ATOM 0 HD22 ASN A 54 18.682 0.898 0.084 1.00 13.24 H new ATOM 756 N ILE A 55 16.595 -2.569 -2.338 1.00 4.53 N ATOM 757 CA ILE A 55 15.742 -3.761 -2.334 1.00 55.10 C ATOM 758 C ILE A 55 16.456 -4.932 -3.031 1.00 42.30 C ATOM 759 O ILE A 55 17.253 -4.715 -3.951 1.00 64.32 O ATOM 760 CB ILE A 55 14.376 -3.422 -2.973 1.00 52.41 C ATOM 761 CG1 ILE A 55 13.266 -4.428 -2.606 1.00 60.43 C ATOM 762 CG2 ILE A 55 14.474 -3.320 -4.500 1.00 55.53 C ATOM 763 CD1 ILE A 55 12.746 -4.211 -1.185 1.00 15.11 C ATOM 0 H ILE A 55 16.120 -1.731 -2.674 1.00 4.53 H new ATOM 0 HA ILE A 55 15.551 -4.081 -1.310 1.00 55.10 H new ATOM 0 HB ILE A 55 14.101 -2.452 -2.558 1.00 52.41 H new ATOM 0 HG12 ILE A 55 12.442 -4.332 -3.313 1.00 60.43 H new ATOM 0 HG13 ILE A 55 13.651 -5.443 -2.701 1.00 60.43 H new ATOM 0 HG21 ILE A 55 13.494 -3.080 -4.912 1.00 55.53 H new ATOM 0 HG22 ILE A 55 15.182 -2.535 -4.768 1.00 55.53 H new ATOM 0 HG23 ILE A 55 14.816 -4.272 -4.907 1.00 55.53 H new ATOM 0 HD11 ILE A 55 11.966 -4.940 -0.968 1.00 15.11 H new ATOM 0 HD12 ILE A 55 13.564 -4.333 -0.475 1.00 15.11 H new ATOM 0 HD13 ILE A 55 12.336 -3.205 -1.097 1.00 15.11 H new ATOM 774 N GLN A 56 16.162 -6.163 -2.623 1.00 74.11 N ATOM 775 CA GLN A 56 16.663 -7.365 -3.274 1.00 63.23 C ATOM 776 C GLN A 56 15.528 -7.980 -4.105 1.00 55.12 C ATOM 777 O GLN A 56 14.353 -7.812 -3.775 1.00 20.11 O ATOM 778 CB GLN A 56 17.141 -8.400 -2.243 1.00 23.02 C ATOM 779 CG GLN A 56 17.999 -7.833 -1.113 1.00 75.44 C ATOM 780 CD GLN A 56 19.312 -7.222 -1.591 1.00 75.11 C ATOM 781 OE1 GLN A 56 20.019 -7.788 -2.420 1.00 4.15 O ATOM 782 NE2 GLN A 56 19.677 -6.061 -1.082 1.00 71.22 N ATOM 0 H GLN A 56 15.562 -6.354 -1.821 1.00 74.11 H new ATOM 0 HA GLN A 56 17.509 -7.093 -3.905 1.00 63.23 H new ATOM 0 HB2 GLN A 56 16.269 -8.887 -1.808 1.00 23.02 H new ATOM 0 HB3 GLN A 56 17.711 -9.171 -2.761 1.00 23.02 H new ATOM 0 HG2 GLN A 56 17.427 -7.073 -0.580 1.00 75.44 H new ATOM 0 HG3 GLN A 56 18.216 -8.628 -0.399 1.00 75.44 H new ATOM 0 HE21 GLN A 56 19.084 -5.597 -0.394 1.00 71.22 H new ATOM 0 HE22 GLN A 56 20.552 -5.627 -1.377 1.00 71.22 H new ATOM 789 N PRO A 57 15.851 -8.812 -5.101 1.00 22.21 N ATOM 790 CA PRO A 57 14.882 -9.559 -5.893 1.00 11.21 C ATOM 791 C PRO A 57 14.202 -10.659 -5.071 1.00 4.21 C ATOM 792 O PRO A 57 13.137 -11.140 -5.443 1.00 4.45 O ATOM 793 CB PRO A 57 15.699 -10.131 -7.053 1.00 15.32 C ATOM 794 CG PRO A 57 17.111 -10.272 -6.498 1.00 75.33 C ATOM 795 CD PRO A 57 17.206 -9.118 -5.504 1.00 62.24 C ATOM 0 HA PRO A 57 14.063 -8.931 -6.242 1.00 11.21 H new ATOM 0 HB2 PRO A 57 15.304 -11.093 -7.379 1.00 15.32 H new ATOM 0 HB3 PRO A 57 15.678 -9.468 -7.918 1.00 15.32 H new ATOM 0 HG2 PRO A 57 17.259 -11.236 -6.012 1.00 75.33 H new ATOM 0 HG3 PRO A 57 17.863 -10.192 -7.283 1.00 75.33 H new ATOM 0 HD2 PRO A 57 17.814 -9.396 -4.643 1.00 62.24 H new ATOM 0 HD3 PRO A 57 17.680 -8.250 -5.961 1.00 62.24 H new ATOM 800 N ALA A 58 14.769 -11.053 -3.932 1.00 40.42 N ATOM 801 CA ALA A 58 14.136 -11.994 -3.029 1.00 20.34 C ATOM 802 C ALA A 58 13.043 -11.320 -2.205 1.00 21.15 C ATOM 803 O ALA A 58 12.045 -11.970 -1.891 1.00 43.23 O ATOM 804 CB ALA A 58 15.213 -12.549 -2.110 1.00 4.15 C ATOM 0 H ALA A 58 15.681 -10.725 -3.615 1.00 40.42 H new ATOM 0 HA ALA A 58 13.665 -12.792 -3.602 1.00 20.34 H new ATOM 0 HB1 ALA A 58 14.767 -13.262 -1.416 1.00 4.15 H new ATOM 0 HB2 ALA A 58 15.976 -13.050 -2.705 1.00 4.15 H new ATOM 0 HB3 ALA A 58 15.668 -11.733 -1.549 1.00 4.15 H new ATOM 810 N ASP A 59 13.224 -10.038 -1.869 1.00 15.34 N ATOM 811 CA ASP A 59 12.377 -9.312 -0.927 1.00 0.52 C ATOM 812 C ASP A 59 10.991 -9.051 -1.502 1.00 51.50 C ATOM 813 O ASP A 59 10.064 -8.783 -0.745 1.00 34.33 O ATOM 814 CB ASP A 59 13.010 -7.969 -0.527 1.00 3.43 C ATOM 815 CG ASP A 59 13.859 -8.085 0.728 1.00 23.41 C ATOM 816 OD1 ASP A 59 13.286 -8.220 1.839 1.00 23.22 O ATOM 817 OD2 ASP A 59 15.094 -7.951 0.609 1.00 60.42 O ATOM 0 H ASP A 59 13.978 -9.469 -2.253 1.00 15.34 H new ATOM 0 HA ASP A 59 12.282 -9.945 -0.045 1.00 0.52 H new ATOM 0 HB2 ASP A 59 13.626 -7.601 -1.347 1.00 3.43 H new ATOM 0 HB3 ASP A 59 12.223 -7.233 -0.364 1.00 3.43 H new ATOM 821 N VAL A 60 10.844 -9.150 -2.824 1.00 33.15 N ATOM 822 CA VAL A 60 9.599 -9.039 -3.571 1.00 55.40 C ATOM 823 C VAL A 60 8.981 -10.428 -3.751 1.00 75.04 C ATOM 824 O VAL A 60 7.793 -10.618 -3.475 1.00 22.31 O ATOM 825 CB VAL A 60 9.890 -8.315 -4.917 1.00 52.22 C ATOM 826 CG1 VAL A 60 11.158 -8.838 -5.607 1.00 1.53 C ATOM 827 CG2 VAL A 60 8.770 -8.406 -5.970 1.00 1.32 C ATOM 0 H VAL A 60 11.643 -9.320 -3.435 1.00 33.15 H new ATOM 0 HA VAL A 60 8.864 -8.443 -3.030 1.00 55.40 H new ATOM 0 HB VAL A 60 9.996 -7.279 -4.596 1.00 52.22 H new ATOM 0 HG11 VAL A 60 11.313 -8.298 -6.541 1.00 1.53 H new ATOM 0 HG12 VAL A 60 12.017 -8.686 -4.953 1.00 1.53 H new ATOM 0 HG13 VAL A 60 11.046 -9.902 -5.817 1.00 1.53 H new ATOM 0 HG21 VAL A 60 9.072 -7.870 -6.870 1.00 1.32 H new ATOM 0 HG22 VAL A 60 8.586 -9.452 -6.216 1.00 1.32 H new ATOM 0 HG23 VAL A 60 7.858 -7.961 -5.571 1.00 1.32 H new ATOM 837 N SER A 61 9.741 -11.433 -4.189 1.00 0.14 N ATOM 838 CA SER A 61 9.164 -12.728 -4.530 1.00 12.44 C ATOM 839 C SER A 61 8.510 -13.428 -3.334 1.00 13.43 C ATOM 840 O SER A 61 7.588 -14.222 -3.508 1.00 15.21 O ATOM 841 CB SER A 61 10.225 -13.578 -5.223 1.00 60.43 C ATOM 842 OG SER A 61 10.564 -12.962 -6.448 1.00 35.35 O ATOM 0 H SER A 61 10.751 -11.373 -4.314 1.00 0.14 H new ATOM 0 HA SER A 61 8.339 -12.572 -5.225 1.00 12.44 H new ATOM 0 HB2 SER A 61 11.107 -13.673 -4.590 1.00 60.43 H new ATOM 0 HB3 SER A 61 9.848 -14.586 -5.397 1.00 60.43 H new ATOM 0 HG SER A 61 11.343 -12.381 -6.318 1.00 35.35 H new ATOM 847 N MET A 62 8.908 -13.052 -2.121 1.00 23.43 N ATOM 848 CA MET A 62 8.459 -13.525 -0.835 1.00 62.10 C ATOM 849 C MET A 62 7.075 -12.980 -0.494 1.00 72.04 C ATOM 850 O MET A 62 6.294 -13.671 0.141 1.00 52.40 O ATOM 851 CB MET A 62 9.504 -13.181 0.235 1.00 11.52 C ATOM 852 CG MET A 62 9.446 -11.724 0.687 1.00 20.02 C ATOM 853 SD MET A 62 10.766 -11.159 1.785 1.00 73.21 S ATOM 854 CE MET A 62 10.881 -12.548 2.924 1.00 3.35 C ATOM 0 H MET A 62 9.626 -12.335 -2.016 1.00 23.43 H new ATOM 0 HA MET A 62 8.357 -14.610 -0.869 1.00 62.10 H new ATOM 0 HB2 MET A 62 9.356 -13.829 1.099 1.00 11.52 H new ATOM 0 HB3 MET A 62 10.499 -13.394 -0.156 1.00 11.52 H new ATOM 0 HG2 MET A 62 9.449 -11.092 -0.201 1.00 20.02 H new ATOM 0 HG3 MET A 62 8.493 -11.562 1.190 1.00 20.02 H new ATOM 0 HE1 MET A 62 11.537 -12.285 3.754 1.00 3.35 H new ATOM 0 HE2 MET A 62 9.889 -12.787 3.308 1.00 3.35 H new ATOM 0 HE3 MET A 62 11.286 -13.414 2.401 1.00 3.35 H new ATOM 862 N ILE A 63 6.735 -11.762 -0.912 1.00 1.41 N ATOM 863 CA ILE A 63 5.485 -11.120 -0.526 1.00 15.42 C ATOM 864 C ILE A 63 4.296 -11.903 -1.087 1.00 2.34 C ATOM 865 O ILE A 63 3.245 -12.012 -0.448 1.00 21.05 O ATOM 866 CB ILE A 63 5.437 -9.668 -1.032 1.00 73.01 C ATOM 867 CG1 ILE A 63 6.713 -8.826 -0.872 1.00 22.32 C ATOM 868 CG2 ILE A 63 4.255 -8.881 -0.446 1.00 44.14 C ATOM 869 CD1 ILE A 63 7.275 -8.611 0.521 1.00 44.41 C ATOM 0 H ILE A 63 7.319 -11.195 -1.527 1.00 1.41 H new ATOM 0 HA ILE A 63 5.429 -11.110 0.563 1.00 15.42 H new ATOM 0 HB ILE A 63 5.316 -9.821 -2.104 1.00 73.01 H new ATOM 0 HG12 ILE A 63 7.493 -9.291 -1.475 1.00 22.32 H new ATOM 0 HG13 ILE A 63 6.518 -7.845 -1.305 1.00 22.32 H new ATOM 0 HG21 ILE A 63 4.267 -7.863 -0.835 1.00 44.14 H new ATOM 0 HG22 ILE A 63 3.320 -9.366 -0.727 1.00 44.14 H new ATOM 0 HG23 ILE A 63 4.338 -8.855 0.641 1.00 44.14 H new ATOM 0 HD11 ILE A 63 8.174 -7.997 0.460 1.00 44.41 H new ATOM 0 HD12 ILE A 63 6.532 -8.106 1.139 1.00 44.41 H new ATOM 0 HD13 ILE A 63 7.523 -9.575 0.966 1.00 44.41 H new ATOM 880 N LYS A 64 4.466 -12.472 -2.283 1.00 21.23 N ATOM 881 CA LYS A 64 3.453 -13.298 -2.923 1.00 55.14 C ATOM 882 C LYS A 64 3.109 -14.479 -2.038 1.00 4.12 C ATOM 883 O LYS A 64 1.929 -14.779 -1.875 1.00 12.41 O ATOM 884 CB LYS A 64 3.932 -13.753 -4.308 1.00 22.05 C ATOM 885 CG LYS A 64 4.104 -12.567 -5.268 1.00 64.34 C ATOM 886 CD LYS A 64 5.537 -12.365 -5.767 1.00 13.23 C ATOM 887 CE LYS A 64 5.910 -13.144 -7.039 1.00 61.42 C ATOM 888 NZ LYS A 64 6.113 -14.595 -6.823 1.00 40.52 N ATOM 0 H LYS A 64 5.318 -12.369 -2.834 1.00 21.23 H new ATOM 0 HA LYS A 64 2.547 -12.708 -3.064 1.00 55.14 H new ATOM 0 HB2 LYS A 64 4.880 -14.282 -4.209 1.00 22.05 H new ATOM 0 HB3 LYS A 64 3.215 -14.459 -4.727 1.00 22.05 H new ATOM 0 HG2 LYS A 64 3.449 -12.712 -6.127 1.00 64.34 H new ATOM 0 HG3 LYS A 64 3.775 -11.657 -4.766 1.00 64.34 H new ATOM 0 HD2 LYS A 64 5.692 -11.302 -5.954 1.00 13.23 H new ATOM 0 HD3 LYS A 64 6.224 -12.652 -4.971 1.00 13.23 H new ATOM 0 HE2 LYS A 64 5.124 -13.005 -7.781 1.00 61.42 H new ATOM 0 HE3 LYS A 64 6.822 -12.719 -7.458 1.00 61.42 H new ATOM 0 HZ1 LYS A 64 6.361 -15.049 -7.725 1.00 40.52 H new ATOM 0 HZ2 LYS A 64 6.883 -14.740 -6.139 1.00 40.52 H new ATOM 0 HZ3 LYS A 64 5.237 -15.017 -6.452 1.00 40.52 H new ATOM 898 N LYS A 65 4.115 -15.083 -1.400 1.00 41.10 N ATOM 899 CA LYS A 65 3.935 -16.240 -0.541 1.00 23.03 C ATOM 900 C LYS A 65 3.089 -15.920 0.692 1.00 15.44 C ATOM 901 O LYS A 65 2.534 -16.846 1.283 1.00 63.41 O ATOM 902 CB LYS A 65 5.319 -16.791 -0.147 1.00 71.20 C ATOM 903 CG LYS A 65 5.996 -17.555 -1.296 1.00 33.34 C ATOM 904 CD LYS A 65 7.324 -16.895 -1.676 1.00 74.30 C ATOM 905 CE LYS A 65 8.442 -17.032 -0.620 1.00 64.04 C ATOM 906 NZ LYS A 65 8.816 -18.421 -0.287 1.00 51.30 N ATOM 0 H LYS A 65 5.084 -14.774 -1.471 1.00 41.10 H new ATOM 0 HA LYS A 65 3.384 -17.001 -1.093 1.00 23.03 H new ATOM 0 HB2 LYS A 65 5.960 -15.966 0.164 1.00 71.20 H new ATOM 0 HB3 LYS A 65 5.212 -17.453 0.712 1.00 71.20 H new ATOM 0 HG2 LYS A 65 6.170 -18.589 -0.999 1.00 33.34 H new ATOM 0 HG3 LYS A 65 5.335 -17.579 -2.162 1.00 33.34 H new ATOM 0 HD2 LYS A 65 7.674 -17.329 -2.613 1.00 74.30 H new ATOM 0 HD3 LYS A 65 7.147 -15.836 -1.861 1.00 74.30 H new ATOM 0 HE2 LYS A 65 9.328 -16.509 -0.980 1.00 64.04 H new ATOM 0 HE3 LYS A 65 8.123 -16.528 0.293 1.00 64.04 H new ATOM 0 HZ1 LYS A 65 9.606 -18.415 0.390 1.00 51.30 H new ATOM 0 HZ2 LYS A 65 8.001 -18.908 0.137 1.00 51.30 H new ATOM 0 HZ3 LYS A 65 9.106 -18.920 -1.153 1.00 51.30 H new ATOM 916 N GLN A 66 2.930 -14.643 1.052 1.00 0.45 N ATOM 917 CA GLN A 66 2.067 -14.221 2.149 1.00 75.43 C ATOM 918 C GLN A 66 0.637 -13.888 1.684 1.00 54.12 C ATOM 919 O GLN A 66 -0.181 -13.486 2.513 1.00 12.55 O ATOM 920 CB GLN A 66 2.745 -13.071 2.916 1.00 73.04 C ATOM 921 CG GLN A 66 3.775 -13.598 3.930 1.00 21.14 C ATOM 922 CD GLN A 66 5.102 -14.018 3.307 1.00 4.51 C ATOM 923 OE1 GLN A 66 5.372 -15.202 3.091 1.00 41.43 O ATOM 924 NE2 GLN A 66 5.968 -13.062 3.027 1.00 0.54 N ATOM 0 H GLN A 66 3.402 -13.870 0.584 1.00 0.45 H new ATOM 0 HA GLN A 66 1.938 -15.056 2.838 1.00 75.43 H new ATOM 0 HB2 GLN A 66 3.238 -12.402 2.210 1.00 73.04 H new ATOM 0 HB3 GLN A 66 1.988 -12.484 3.436 1.00 73.04 H new ATOM 0 HG2 GLN A 66 3.964 -12.825 4.675 1.00 21.14 H new ATOM 0 HG3 GLN A 66 3.347 -14.451 4.457 1.00 21.14 H new ATOM 0 HE21 GLN A 66 5.729 -12.088 3.212 1.00 0.54 H new ATOM 0 HE22 GLN A 66 6.876 -13.298 2.626 1.00 0.54 H new ATOM 931 N GLY A 67 0.302 -14.084 0.400 1.00 4.55 N ATOM 932 CA GLY A 67 -1.068 -13.986 -0.099 1.00 62.13 C ATOM 933 C GLY A 67 -1.339 -12.718 -0.897 1.00 34.32 C ATOM 934 O GLY A 67 -2.439 -12.173 -0.795 1.00 42.21 O ATOM 0 H GLY A 67 0.983 -14.317 -0.323 1.00 4.55 H new ATOM 0 HA2 GLY A 67 -1.280 -14.852 -0.726 1.00 62.13 H new ATOM 0 HA3 GLY A 67 -1.757 -14.028 0.745 1.00 62.13 H new ATOM 938 N THR A 68 -0.362 -12.254 -1.678 1.00 60.14 N ATOM 939 CA THR A 68 -0.369 -10.936 -2.316 1.00 11.54 C ATOM 940 C THR A 68 -0.322 -11.069 -3.845 1.00 33.31 C ATOM 941 O THR A 68 0.120 -12.102 -4.353 1.00 44.24 O ATOM 942 CB THR A 68 0.831 -10.136 -1.771 1.00 0.52 C ATOM 943 OG1 THR A 68 0.954 -10.305 -0.369 1.00 33.11 O ATOM 944 CG2 THR A 68 0.725 -8.634 -2.047 1.00 43.21 C ATOM 0 H THR A 68 0.475 -12.796 -1.889 1.00 60.14 H new ATOM 0 HA THR A 68 -1.292 -10.405 -2.082 1.00 11.54 H new ATOM 0 HB THR A 68 1.703 -10.529 -2.293 1.00 0.52 H new ATOM 0 HG1 THR A 68 1.718 -10.888 -0.176 1.00 33.11 H new ATOM 0 HG21 THR A 68 1.599 -8.127 -1.639 1.00 43.21 H new ATOM 0 HG22 THR A 68 0.676 -8.464 -3.123 1.00 43.21 H new ATOM 0 HG23 THR A 68 -0.176 -8.240 -1.576 1.00 43.21 H new ATOM 952 N THR A 69 -0.730 -10.021 -4.561 1.00 0.52 N ATOM 953 CA THR A 69 -0.716 -9.869 -6.012 1.00 11.45 C ATOM 954 C THR A 69 -0.039 -8.538 -6.373 1.00 20.43 C ATOM 955 O THR A 69 0.079 -7.652 -5.520 1.00 3.12 O ATOM 956 CB THR A 69 -2.159 -9.881 -6.542 1.00 24.21 C ATOM 957 OG1 THR A 69 -2.953 -9.014 -5.750 1.00 11.03 O ATOM 958 CG2 THR A 69 -2.755 -11.288 -6.519 1.00 21.14 C ATOM 0 H THR A 69 -1.108 -9.192 -4.103 1.00 0.52 H new ATOM 0 HA THR A 69 -0.162 -10.692 -6.464 1.00 11.45 H new ATOM 0 HB THR A 69 -2.146 -9.541 -7.578 1.00 24.21 H new ATOM 0 HG1 THR A 69 -3.874 -9.017 -6.085 1.00 11.03 H new ATOM 0 HG21 THR A 69 -3.776 -11.257 -6.901 1.00 21.14 H new ATOM 0 HG22 THR A 69 -2.154 -11.948 -7.144 1.00 21.14 H new ATOM 0 HG23 THR A 69 -2.761 -11.664 -5.496 1.00 21.14 H new ATOM 966 N LEU A 70 0.368 -8.382 -7.638 1.00 2.02 N ATOM 967 CA LEU A 70 1.053 -7.188 -8.131 1.00 32.23 C ATOM 968 C LEU A 70 0.174 -5.954 -7.979 1.00 31.32 C ATOM 969 O LEU A 70 0.643 -4.879 -7.613 1.00 51.00 O ATOM 970 CB LEU A 70 1.439 -7.419 -9.601 1.00 35.42 C ATOM 971 CG LEU A 70 2.116 -6.230 -10.297 1.00 15.02 C ATOM 972 CD1 LEU A 70 3.297 -5.677 -9.507 1.00 72.54 C ATOM 973 CD2 LEU A 70 2.627 -6.683 -11.665 1.00 71.23 C ATOM 0 H LEU A 70 0.227 -9.093 -8.356 1.00 2.02 H new ATOM 0 HA LEU A 70 1.953 -7.011 -7.543 1.00 32.23 H new ATOM 0 HB2 LEU A 70 2.108 -8.278 -9.653 1.00 35.42 H new ATOM 0 HB3 LEU A 70 0.540 -7.681 -10.159 1.00 35.42 H new ATOM 0 HG LEU A 70 1.370 -5.439 -10.383 1.00 15.02 H new ATOM 0 HD11 LEU A 70 3.736 -4.838 -10.048 1.00 72.54 H new ATOM 0 HD12 LEU A 70 2.954 -5.339 -8.529 1.00 72.54 H new ATOM 0 HD13 LEU A 70 4.047 -6.458 -9.379 1.00 72.54 H new ATOM 0 HD21 LEU A 70 3.110 -5.846 -12.169 1.00 71.23 H new ATOM 0 HD22 LEU A 70 3.346 -7.492 -11.535 1.00 71.23 H new ATOM 0 HD23 LEU A 70 1.790 -7.035 -12.268 1.00 71.23 H new ATOM 984 N GLU A 71 -1.121 -6.134 -8.216 1.00 51.34 N ATOM 985 CA GLU A 71 -2.125 -5.091 -8.123 1.00 41.24 C ATOM 986 C GLU A 71 -2.135 -4.375 -6.775 1.00 13.03 C ATOM 987 O GLU A 71 -2.439 -3.184 -6.715 1.00 32.12 O ATOM 988 CB GLU A 71 -3.480 -5.741 -8.368 1.00 31.52 C ATOM 989 CG GLU A 71 -3.713 -5.992 -9.856 1.00 15.13 C ATOM 990 CD GLU A 71 -5.184 -5.831 -10.221 1.00 14.12 C ATOM 991 OE1 GLU A 71 -5.726 -4.710 -10.056 1.00 34.44 O ATOM 992 OE2 GLU A 71 -5.796 -6.825 -10.664 1.00 0.44 O ATOM 0 H GLU A 71 -1.508 -7.038 -8.486 1.00 51.34 H new ATOM 0 HA GLU A 71 -1.894 -4.327 -8.866 1.00 41.24 H new ATOM 0 HB2 GLU A 71 -3.537 -6.684 -7.824 1.00 31.52 H new ATOM 0 HB3 GLU A 71 -4.270 -5.099 -7.977 1.00 31.52 H new ATOM 0 HG2 GLU A 71 -3.112 -5.297 -10.443 1.00 15.13 H new ATOM 0 HG3 GLU A 71 -3.380 -6.997 -10.114 1.00 15.13 H new ATOM 997 N MET A 72 -1.790 -5.081 -5.697 1.00 52.30 N ATOM 998 CA MET A 72 -1.764 -4.485 -4.372 1.00 14.35 C ATOM 999 C MET A 72 -0.709 -3.369 -4.300 1.00 74.34 C ATOM 1000 O MET A 72 -0.876 -2.394 -3.576 1.00 3.15 O ATOM 1001 CB MET A 72 -1.474 -5.588 -3.336 1.00 43.33 C ATOM 1002 CG MET A 72 -2.377 -5.475 -2.102 1.00 54.34 C ATOM 1003 SD MET A 72 -3.982 -6.325 -2.198 1.00 63.31 S ATOM 1004 CE MET A 72 -3.409 -8.045 -2.331 1.00 71.32 C ATOM 0 H MET A 72 -1.526 -6.066 -5.722 1.00 52.30 H new ATOM 0 HA MET A 72 -2.732 -4.033 -4.154 1.00 14.35 H new ATOM 0 HB2 MET A 72 -1.615 -6.565 -3.799 1.00 43.33 H new ATOM 0 HB3 MET A 72 -0.430 -5.529 -3.027 1.00 43.33 H new ATOM 0 HG2 MET A 72 -1.833 -5.867 -1.243 1.00 54.34 H new ATOM 0 HG3 MET A 72 -2.560 -4.418 -1.908 1.00 54.34 H new ATOM 0 HE1 MET A 72 -4.216 -8.720 -2.047 1.00 71.32 H new ATOM 0 HE2 MET A 72 -3.109 -8.250 -3.359 1.00 71.32 H new ATOM 0 HE3 MET A 72 -2.558 -8.197 -1.667 1.00 71.32 H new ATOM 1012 N ILE A 73 0.401 -3.527 -5.018 1.00 14.34 N ATOM 1013 CA ILE A 73 1.617 -2.747 -4.861 1.00 0.43 C ATOM 1014 C ILE A 73 1.452 -1.408 -5.585 1.00 20.42 C ATOM 1015 O ILE A 73 1.752 -0.356 -5.037 1.00 13.41 O ATOM 1016 CB ILE A 73 2.795 -3.606 -5.375 1.00 42.13 C ATOM 1017 CG1 ILE A 73 2.847 -5.003 -4.725 1.00 34.11 C ATOM 1018 CG2 ILE A 73 4.147 -2.923 -5.182 1.00 62.41 C ATOM 1019 CD1 ILE A 73 2.856 -5.022 -3.192 1.00 11.12 C ATOM 0 H ILE A 73 0.476 -4.231 -5.753 1.00 14.34 H new ATOM 0 HA ILE A 73 1.825 -2.499 -3.820 1.00 0.43 H new ATOM 0 HB ILE A 73 2.605 -3.723 -6.442 1.00 42.13 H new ATOM 0 HG12 ILE A 73 1.988 -5.577 -5.072 1.00 34.11 H new ATOM 0 HG13 ILE A 73 3.740 -5.517 -5.082 1.00 34.11 H new ATOM 0 HG21 ILE A 73 4.939 -3.570 -5.560 1.00 62.41 H new ATOM 0 HG22 ILE A 73 4.159 -1.979 -5.727 1.00 62.41 H new ATOM 0 HG23 ILE A 73 4.310 -2.732 -4.121 1.00 62.41 H new ATOM 0 HD11 ILE A 73 2.894 -6.053 -2.841 1.00 11.12 H new ATOM 0 HD12 ILE A 73 3.730 -4.482 -2.827 1.00 11.12 H new ATOM 0 HD13 ILE A 73 1.951 -4.544 -2.817 1.00 11.12 H new ATOM 1030 N THR A 74 0.925 -1.417 -6.798 1.00 72.11 N ATOM 1031 CA THR A 74 0.658 -0.219 -7.578 1.00 21.21 C ATOM 1032 C THR A 74 -0.395 0.647 -6.900 1.00 15.33 C ATOM 1033 O THR A 74 -0.296 1.876 -6.892 1.00 60.33 O ATOM 1034 CB THR A 74 0.293 -0.685 -8.992 1.00 71.12 C ATOM 1035 OG1 THR A 74 0.006 0.366 -9.891 1.00 63.42 O ATOM 1036 CG2 THR A 74 -0.782 -1.760 -9.117 1.00 13.04 C ATOM 0 H THR A 74 0.665 -2.278 -7.280 1.00 72.11 H new ATOM 0 HA THR A 74 1.529 0.433 -7.647 1.00 21.21 H new ATOM 0 HB THR A 74 1.229 -1.165 -9.277 1.00 71.12 H new ATOM 0 HG1 THR A 74 -0.216 -0.007 -10.770 1.00 63.42 H new ATOM 0 HG21 THR A 74 -0.941 -1.995 -10.169 1.00 13.04 H new ATOM 0 HG22 THR A 74 -0.462 -2.658 -8.589 1.00 13.04 H new ATOM 0 HG23 THR A 74 -1.713 -1.396 -8.682 1.00 13.04 H new ATOM 1044 N ALA A 75 -1.403 0.013 -6.317 1.00 22.52 N ATOM 1045 CA ALA A 75 -2.481 0.760 -5.671 1.00 72.35 C ATOM 1046 C ALA A 75 -1.989 1.482 -4.412 1.00 34.42 C ATOM 1047 O ALA A 75 -2.240 2.675 -4.237 1.00 12.32 O ATOM 1048 CB ALA A 75 -3.654 -0.160 -5.371 1.00 53.00 C ATOM 0 H ALA A 75 -1.500 -1.002 -6.276 1.00 22.52 H new ATOM 0 HA ALA A 75 -2.824 1.531 -6.361 1.00 72.35 H new ATOM 0 HB1 ALA A 75 -4.449 0.409 -4.890 1.00 53.00 H new ATOM 0 HB2 ALA A 75 -4.027 -0.590 -6.301 1.00 53.00 H new ATOM 0 HB3 ALA A 75 -3.328 -0.960 -4.707 1.00 53.00 H new ATOM 1054 N TRP A 76 -1.260 0.778 -3.542 1.00 53.32 N ATOM 1055 CA TRP A 76 -0.701 1.358 -2.331 1.00 43.54 C ATOM 1056 C TRP A 76 0.450 2.315 -2.641 1.00 53.41 C ATOM 1057 O TRP A 76 0.720 3.191 -1.821 1.00 61.32 O ATOM 1058 CB TRP A 76 -0.276 0.257 -1.356 1.00 15.13 C ATOM 1059 CG TRP A 76 -1.388 -0.302 -0.525 1.00 3.14 C ATOM 1060 CD1 TRP A 76 -1.946 -1.526 -0.651 1.00 0.33 C ATOM 1061 CD2 TRP A 76 -2.120 0.365 0.543 1.00 72.21 C ATOM 1062 NE1 TRP A 76 -2.978 -1.659 0.253 1.00 11.35 N ATOM 1063 CE2 TRP A 76 -3.114 -0.533 1.032 1.00 44.12 C ATOM 1064 CE3 TRP A 76 -2.063 1.650 1.123 1.00 4.23 C ATOM 1065 CZ2 TRP A 76 -4.009 -0.178 2.046 1.00 3.15 C ATOM 1066 CZ3 TRP A 76 -2.966 2.021 2.134 1.00 74.05 C ATOM 1067 CH2 TRP A 76 -3.939 1.114 2.592 1.00 71.45 C ATOM 0 H TRP A 76 -1.044 -0.211 -3.663 1.00 53.32 H new ATOM 0 HA TRP A 76 -1.480 1.951 -1.851 1.00 43.54 H new ATOM 0 HB2 TRP A 76 0.181 -0.555 -1.922 1.00 15.13 H new ATOM 0 HB3 TRP A 76 0.492 0.654 -0.692 1.00 15.13 H new ATOM 0 HD1 TRP A 76 -1.632 -2.284 -1.353 1.00 0.33 H new ATOM 0 HE1 TRP A 76 -3.567 -2.488 0.334 1.00 11.35 H new ATOM 0 HE3 TRP A 76 -1.318 2.356 0.787 1.00 4.23 H new ATOM 0 HZ2 TRP A 76 -4.742 -0.886 2.403 1.00 3.15 H new ATOM 0 HZ3 TRP A 76 -2.913 3.011 2.563 1.00 74.05 H new ATOM 0 HH2 TRP A 76 -4.633 1.412 3.364 1.00 71.45 H new ATOM 1077 N GLN A 77 1.108 2.194 -3.799 1.00 20.31 N ATOM 1078 CA GLN A 77 1.992 3.233 -4.296 1.00 42.14 C ATOM 1079 C GLN A 77 1.190 4.505 -4.519 1.00 60.15 C ATOM 1080 O GLN A 77 1.466 5.531 -3.891 1.00 74.13 O ATOM 1081 CB GLN A 77 2.670 2.796 -5.603 1.00 20.21 C ATOM 1082 CG GLN A 77 3.442 3.939 -6.273 1.00 71.04 C ATOM 1083 CD GLN A 77 4.397 3.401 -7.317 1.00 21.21 C ATOM 1084 OE1 GLN A 77 4.180 3.443 -8.522 1.00 42.22 O ATOM 1085 NE2 GLN A 77 5.494 2.851 -6.851 1.00 42.44 N ATOM 0 H GLN A 77 1.039 1.378 -4.407 1.00 20.31 H new ATOM 0 HA GLN A 77 2.774 3.417 -3.559 1.00 42.14 H new ATOM 0 HB2 GLN A 77 3.353 1.972 -5.397 1.00 20.21 H new ATOM 0 HB3 GLN A 77 1.915 2.419 -6.292 1.00 20.21 H new ATOM 0 HG2 GLN A 77 2.742 4.634 -6.737 1.00 71.04 H new ATOM 0 HG3 GLN A 77 3.996 4.500 -5.521 1.00 71.04 H new ATOM 0 HE21 GLN A 77 5.663 2.822 -5.845 1.00 42.44 H new ATOM 0 HE22 GLN A 77 6.178 2.452 -7.494 1.00 42.44 H new ATOM 1092 N ASP A 78 0.247 4.427 -5.457 1.00 40.52 N ATOM 1093 CA ASP A 78 -0.359 5.602 -6.053 1.00 11.02 C ATOM 1094 C ASP A 78 -1.119 6.398 -5.006 1.00 74.23 C ATOM 1095 O ASP A 78 -1.069 7.625 -5.032 1.00 21.30 O ATOM 1096 CB ASP A 78 -1.286 5.223 -7.214 1.00 60.52 C ATOM 1097 CG ASP A 78 -1.398 6.419 -8.174 1.00 40.14 C ATOM 1098 OD1 ASP A 78 -0.351 7.025 -8.517 1.00 13.14 O ATOM 1099 OD2 ASP A 78 -2.527 6.752 -8.598 1.00 64.21 O ATOM 0 H ASP A 78 -0.114 3.545 -5.820 1.00 40.52 H new ATOM 0 HA ASP A 78 0.442 6.224 -6.453 1.00 11.02 H new ATOM 0 HB2 ASP A 78 -0.894 4.353 -7.740 1.00 60.52 H new ATOM 0 HB3 ASP A 78 -2.271 4.950 -6.836 1.00 60.52 H new ATOM 1103 N PHE A 79 -1.741 5.710 -4.038 1.00 71.24 N ATOM 1104 CA PHE A 79 -2.412 6.348 -2.913 1.00 74.42 C ATOM 1105 C PHE A 79 -1.518 7.406 -2.253 1.00 2.41 C ATOM 1106 O PHE A 79 -2.003 8.479 -1.901 1.00 12.31 O ATOM 1107 CB PHE A 79 -2.844 5.278 -1.898 1.00 22.10 C ATOM 1108 CG PHE A 79 -3.556 5.863 -0.693 1.00 75.43 C ATOM 1109 CD1 PHE A 79 -4.946 6.079 -0.734 1.00 51.21 C ATOM 1110 CD2 PHE A 79 -2.819 6.278 0.433 1.00 73.13 C ATOM 1111 CE1 PHE A 79 -5.596 6.696 0.347 1.00 14.11 C ATOM 1112 CE2 PHE A 79 -3.466 6.933 1.495 1.00 63.24 C ATOM 1113 CZ PHE A 79 -4.856 7.138 1.458 1.00 40.25 C ATOM 0 H PHE A 79 -1.789 4.691 -4.020 1.00 71.24 H new ATOM 0 HA PHE A 79 -3.298 6.865 -3.283 1.00 74.42 H new ATOM 0 HB2 PHE A 79 -3.502 4.562 -2.390 1.00 22.10 H new ATOM 0 HB3 PHE A 79 -1.966 4.726 -1.563 1.00 22.10 H new ATOM 0 HD1 PHE A 79 -5.514 5.770 -1.599 1.00 51.21 H new ATOM 0 HD2 PHE A 79 -1.756 6.093 0.481 1.00 73.13 H new ATOM 0 HE1 PHE A 79 -6.667 6.831 0.325 1.00 14.11 H new ATOM 0 HE2 PHE A 79 -2.893 7.280 2.342 1.00 63.24 H new ATOM 0 HZ PHE A 79 -5.353 7.633 2.279 1.00 40.25 H new ATOM 1122 N TYR A 80 -0.225 7.123 -2.074 1.00 75.13 N ATOM 1123 CA TYR A 80 0.722 8.052 -1.483 1.00 24.31 C ATOM 1124 C TYR A 80 1.307 9.005 -2.526 1.00 20.32 C ATOM 1125 O TYR A 80 1.517 10.173 -2.210 1.00 2.53 O ATOM 1126 CB TYR A 80 1.831 7.258 -0.795 1.00 40.13 C ATOM 1127 CG TYR A 80 1.401 6.527 0.455 1.00 1.10 C ATOM 1128 CD1 TYR A 80 0.852 7.237 1.536 1.00 55.24 C ATOM 1129 CD2 TYR A 80 1.544 5.132 0.528 1.00 75.04 C ATOM 1130 CE1 TYR A 80 0.391 6.546 2.664 1.00 74.44 C ATOM 1131 CE2 TYR A 80 1.101 4.434 1.660 1.00 11.54 C ATOM 1132 CZ TYR A 80 0.488 5.138 2.716 1.00 72.41 C ATOM 1133 OH TYR A 80 -0.031 4.452 3.766 1.00 23.30 O ATOM 0 H TYR A 80 0.191 6.231 -2.341 1.00 75.13 H new ATOM 0 HA TYR A 80 0.199 8.667 -0.751 1.00 24.31 H new ATOM 0 HB2 TYR A 80 2.233 6.534 -1.503 1.00 40.13 H new ATOM 0 HB3 TYR A 80 2.643 7.939 -0.540 1.00 40.13 H new ATOM 0 HD1 TYR A 80 0.785 8.314 1.497 1.00 55.24 H new ATOM 0 HD2 TYR A 80 1.997 4.594 -0.292 1.00 75.04 H new ATOM 0 HE1 TYR A 80 -0.038 7.089 3.493 1.00 74.44 H new ATOM 0 HE2 TYR A 80 1.229 3.363 1.723 1.00 11.54 H new ATOM 0 HH TYR A 80 0.124 3.493 3.639 1.00 23.30 H new ATOM 1142 N GLU A 81 1.610 8.545 -3.743 1.00 21.41 N ATOM 1143 CA GLU A 81 2.146 9.397 -4.814 1.00 63.41 C ATOM 1144 C GLU A 81 1.247 10.590 -5.114 1.00 63.43 C ATOM 1145 O GLU A 81 1.769 11.698 -5.251 1.00 11.52 O ATOM 1146 CB GLU A 81 2.385 8.605 -6.107 1.00 33.04 C ATOM 1147 CG GLU A 81 3.523 7.597 -5.935 1.00 4.11 C ATOM 1148 CD GLU A 81 4.201 7.237 -7.252 1.00 23.03 C ATOM 1149 OE1 GLU A 81 3.489 6.806 -8.191 1.00 11.41 O ATOM 1150 OE2 GLU A 81 5.443 7.369 -7.336 1.00 42.42 O ATOM 0 H GLU A 81 1.491 7.570 -4.016 1.00 21.41 H new ATOM 0 HA GLU A 81 3.100 9.770 -4.443 1.00 63.41 H new ATOM 0 HB2 GLU A 81 1.472 8.082 -6.390 1.00 33.04 H new ATOM 0 HB3 GLU A 81 2.624 9.292 -6.919 1.00 33.04 H new ATOM 0 HG2 GLU A 81 4.265 8.008 -5.251 1.00 4.11 H new ATOM 0 HG3 GLU A 81 3.132 6.690 -5.474 1.00 4.11 H new ATOM 1155 N GLN A 82 -0.074 10.393 -5.162 1.00 52.35 N ATOM 1156 CA GLN A 82 -0.993 11.471 -5.506 1.00 35.14 C ATOM 1157 C GLN A 82 -0.932 12.622 -4.486 1.00 61.14 C ATOM 1158 O GLN A 82 -1.359 13.731 -4.806 1.00 41.33 O ATOM 1159 CB GLN A 82 -2.435 10.944 -5.624 1.00 35.53 C ATOM 1160 CG GLN A 82 -2.718 9.969 -6.779 1.00 64.52 C ATOM 1161 CD GLN A 82 -2.237 10.453 -8.142 1.00 53.12 C ATOM 1162 OE1 GLN A 82 -2.719 11.459 -8.658 1.00 33.10 O ATOM 1163 NE2 GLN A 82 -1.322 9.732 -8.770 1.00 20.22 N ATOM 0 H GLN A 82 -0.525 9.499 -4.967 1.00 52.35 H new ATOM 0 HA GLN A 82 -0.680 11.864 -6.473 1.00 35.14 H new ATOM 0 HB2 GLN A 82 -2.695 10.449 -4.688 1.00 35.53 H new ATOM 0 HB3 GLN A 82 -3.103 11.799 -5.728 1.00 35.53 H new ATOM 0 HG2 GLN A 82 -2.242 9.014 -6.557 1.00 64.52 H new ATOM 0 HG3 GLN A 82 -3.791 9.786 -6.830 1.00 64.52 H new ATOM 0 HE21 GLN A 82 -0.934 8.900 -8.325 1.00 20.22 H new ATOM 0 HE22 GLN A 82 -1.005 10.008 -9.699 1.00 20.22 H new ATOM 1170 N GLU A 83 -0.393 12.408 -3.282 1.00 53.14 N ATOM 1171 CA GLU A 83 -0.304 13.419 -2.235 1.00 4.22 C ATOM 1172 C GLU A 83 0.894 14.335 -2.472 1.00 12.22 C ATOM 1173 O GLU A 83 0.818 15.533 -2.198 1.00 71.02 O ATOM 1174 CB GLU A 83 -0.208 12.771 -0.846 1.00 34.42 C ATOM 1175 CG GLU A 83 -1.412 11.864 -0.557 1.00 20.43 C ATOM 1176 CD GLU A 83 -2.745 12.579 -0.785 1.00 11.41 C ATOM 1177 OE1 GLU A 83 -3.077 13.453 0.041 1.00 75.31 O ATOM 1178 OE2 GLU A 83 -3.409 12.351 -1.826 1.00 24.31 O ATOM 0 H GLU A 83 0.000 11.508 -3.007 1.00 53.14 H new ATOM 0 HA GLU A 83 -1.215 14.016 -2.271 1.00 4.22 H new ATOM 0 HB2 GLU A 83 0.711 12.188 -0.779 1.00 34.42 H new ATOM 0 HB3 GLU A 83 -0.148 13.549 -0.085 1.00 34.42 H new ATOM 0 HG2 GLU A 83 -1.361 10.982 -1.196 1.00 20.43 H new ATOM 0 HG3 GLU A 83 -1.361 11.514 0.474 1.00 20.43 H new ATOM 1183 N GLN A 84 1.992 13.822 -3.039 1.00 62.32 N ATOM 1184 CA GLN A 84 3.188 14.638 -3.277 1.00 51.11 C ATOM 1185 C GLN A 84 2.903 15.790 -4.245 1.00 21.40 C ATOM 1186 O GLN A 84 3.618 16.786 -4.249 1.00 31.32 O ATOM 1187 CB GLN A 84 4.359 13.780 -3.767 1.00 71.11 C ATOM 1188 CG GLN A 84 5.187 13.225 -2.605 1.00 51.34 C ATOM 1189 CD GLN A 84 4.375 12.234 -1.789 1.00 71.11 C ATOM 1190 OE1 GLN A 84 3.841 12.545 -0.735 1.00 60.43 O ATOM 1191 NE2 GLN A 84 4.186 11.049 -2.328 1.00 60.03 N ATOM 0 H GLN A 84 2.077 12.851 -3.340 1.00 62.32 H new ATOM 0 HA GLN A 84 3.475 15.078 -2.322 1.00 51.11 H new ATOM 0 HB2 GLN A 84 3.977 12.954 -4.367 1.00 71.11 H new ATOM 0 HB3 GLN A 84 4.999 14.377 -4.416 1.00 71.11 H new ATOM 0 HG2 GLN A 84 6.083 12.738 -2.991 1.00 51.34 H new ATOM 0 HG3 GLN A 84 5.519 14.043 -1.966 1.00 51.34 H new ATOM 0 HE21 GLN A 84 4.642 10.811 -3.209 1.00 60.03 H new ATOM 0 HE22 GLN A 84 3.583 10.368 -1.865 1.00 60.03 H new ATOM 1198 N GLN A 85 1.840 15.674 -5.043 1.00 73.11 N ATOM 1199 CA GLN A 85 1.343 16.730 -5.914 1.00 71.25 C ATOM 1200 C GLN A 85 0.901 17.942 -5.080 1.00 32.24 C ATOM 1201 O GLN A 85 1.356 19.064 -5.317 1.00 3.33 O ATOM 1202 CB GLN A 85 0.188 16.188 -6.776 1.00 53.43 C ATOM 1203 CG GLN A 85 0.563 14.914 -7.555 1.00 15.10 C ATOM 1204 CD GLN A 85 -0.600 14.353 -8.371 1.00 71.55 C ATOM 1205 OE1 GLN A 85 -0.520 14.271 -9.597 1.00 23.20 O ATOM 1206 NE2 GLN A 85 -1.668 13.934 -7.718 1.00 71.13 N ATOM 0 H GLN A 85 1.289 14.818 -5.100 1.00 73.11 H new ATOM 0 HA GLN A 85 2.141 17.060 -6.580 1.00 71.25 H new ATOM 0 HB2 GLN A 85 -0.668 15.976 -6.135 1.00 53.43 H new ATOM 0 HB3 GLN A 85 -0.125 16.959 -7.480 1.00 53.43 H new ATOM 0 HG2 GLN A 85 1.396 15.134 -8.223 1.00 15.10 H new ATOM 0 HG3 GLN A 85 0.909 14.154 -6.854 1.00 15.10 H new ATOM 0 HE21 GLN A 85 -1.708 14.014 -6.702 1.00 71.13 H new ATOM 0 HE22 GLN A 85 -2.453 13.531 -8.230 1.00 71.13 H new ATOM 1213 N ARG A 86 0.023 17.714 -4.097 1.00 0.12 N ATOM 1214 CA ARG A 86 -0.567 18.777 -3.279 1.00 53.24 C ATOM 1215 C ARG A 86 0.355 19.237 -2.157 1.00 51.43 C ATOM 1216 O ARG A 86 0.266 20.395 -1.758 1.00 31.22 O ATOM 1217 CB ARG A 86 -1.931 18.347 -2.709 1.00 23.01 C ATOM 1218 CG ARG A 86 -1.899 17.062 -1.869 1.00 3.44 C ATOM 1219 CD ARG A 86 -3.282 16.674 -1.340 1.00 41.23 C ATOM 1220 NE ARG A 86 -3.622 17.441 -0.132 1.00 35.30 N ATOM 1221 CZ ARG A 86 -3.467 17.025 1.133 1.00 42.54 C ATOM 1222 NH1 ARG A 86 -3.063 15.795 1.433 1.00 24.10 N ATOM 1223 NH2 ARG A 86 -3.735 17.865 2.115 1.00 32.44 N ATOM 0 H ARG A 86 -0.300 16.780 -3.846 1.00 0.12 H new ATOM 0 HA ARG A 86 -0.715 19.628 -3.943 1.00 53.24 H new ATOM 0 HB2 ARG A 86 -2.324 19.157 -2.095 1.00 23.01 H new ATOM 0 HB3 ARG A 86 -2.627 18.207 -3.536 1.00 23.01 H new ATOM 0 HG2 ARG A 86 -1.503 16.246 -2.474 1.00 3.44 H new ATOM 0 HG3 ARG A 86 -1.217 17.197 -1.030 1.00 3.44 H new ATOM 0 HD2 ARG A 86 -4.032 16.852 -2.110 1.00 41.23 H new ATOM 0 HD3 ARG A 86 -3.303 15.608 -1.115 1.00 41.23 H new ATOM 0 HE ARG A 86 -4.011 18.374 -0.269 1.00 35.30 H new ATOM 0 HH11 ARG A 86 -2.859 15.129 0.688 1.00 24.10 H new ATOM 0 HH12 ARG A 86 -2.957 15.517 2.409 1.00 24.10 H new ATOM 0 HH21 ARG A 86 -4.054 18.811 1.904 1.00 32.44 H new ATOM 0 HH22 ARG A 86 -3.624 17.568 3.085 1.00 32.44 H new ATOM 1234 N ASN A 87 1.220 18.375 -1.627 1.00 14.51 N ATOM 1235 CA ASN A 87 2.195 18.727 -0.615 1.00 73.44 C ATOM 1236 C ASN A 87 3.499 18.017 -0.937 1.00 0.12 C ATOM 1237 O ASN A 87 3.667 16.839 -0.634 1.00 60.04 O ATOM 1238 CB ASN A 87 1.713 18.478 0.828 1.00 33.14 C ATOM 1239 CG ASN A 87 0.919 17.213 1.137 1.00 43.25 C ATOM 1240 OD1 ASN A 87 -0.107 17.270 1.806 1.00 1.24 O ATOM 1241 ND2 ASN A 87 1.348 16.052 0.700 1.00 4.42 N ATOM 0 H ASN A 87 1.258 17.393 -1.900 1.00 14.51 H new ATOM 0 HA ASN A 87 2.353 19.805 -0.647 1.00 73.44 H new ATOM 0 HB2 ASN A 87 2.592 18.480 1.473 1.00 33.14 H new ATOM 0 HB3 ASN A 87 1.100 19.330 1.121 1.00 33.14 H new ATOM 0 HD21 ASN A 87 0.828 15.202 0.917 1.00 4.42 H new ATOM 0 HD22 ASN A 87 2.201 16.000 0.143 1.00 4.42 H new ATOM 1247 N GLU A 88 4.444 18.728 -1.557 1.00 54.54 N ATOM 1248 CA GLU A 88 5.721 18.143 -1.961 1.00 71.05 C ATOM 1249 C GLU A 88 6.539 17.639 -0.768 1.00 15.10 C ATOM 1250 O GLU A 88 7.411 16.789 -0.941 1.00 14.12 O ATOM 1251 CB GLU A 88 6.583 19.159 -2.734 1.00 14.23 C ATOM 1252 CG GLU A 88 6.092 19.468 -4.154 1.00 44.54 C ATOM 1253 CD GLU A 88 7.274 19.871 -5.045 1.00 23.20 C ATOM 1254 OE1 GLU A 88 7.681 21.057 -5.049 1.00 12.22 O ATOM 1255 OE2 GLU A 88 7.845 18.976 -5.718 1.00 42.42 O ATOM 0 H GLU A 88 4.346 19.716 -1.791 1.00 54.54 H new ATOM 0 HA GLU A 88 5.467 17.298 -2.601 1.00 71.05 H new ATOM 0 HB2 GLU A 88 6.620 20.089 -2.167 1.00 14.23 H new ATOM 0 HB3 GLU A 88 7.603 18.780 -2.792 1.00 14.23 H new ATOM 0 HG2 GLU A 88 5.593 18.594 -4.573 1.00 44.54 H new ATOM 0 HG3 GLU A 88 5.357 20.272 -4.126 1.00 44.54 H new ATOM 1260 N ASN A 89 6.318 18.168 0.437 1.00 0.11 N ATOM 1261 CA ASN A 89 7.247 17.994 1.558 1.00 62.42 C ATOM 1262 C ASN A 89 6.917 16.749 2.374 1.00 34.03 C ATOM 1263 O ASN A 89 6.940 16.772 3.607 1.00 0.54 O ATOM 1264 CB ASN A 89 7.301 19.272 2.404 1.00 21.02 C ATOM 1265 CG ASN A 89 7.665 20.473 1.550 1.00 43.22 C ATOM 1266 OD1 ASN A 89 6.970 21.478 1.572 1.00 43.55 O ATOM 1267 ND2 ASN A 89 8.732 20.406 0.763 1.00 1.40 N ATOM 0 H ASN A 89 5.495 18.726 0.664 1.00 0.11 H new ATOM 0 HA ASN A 89 8.249 17.827 1.162 1.00 62.42 H new ATOM 0 HB2 ASN A 89 6.335 19.439 2.880 1.00 21.02 H new ATOM 0 HB3 ASN A 89 8.033 19.153 3.203 1.00 21.02 H new ATOM 0 HD21 ASN A 89 8.978 21.198 0.169 1.00 1.40 H new ATOM 0 HD22 ASN A 89 9.306 19.563 0.752 1.00 1.40 H new ATOM 1273 N ASN A 90 6.586 15.654 1.690 1.00 22.00 N ATOM 1274 CA ASN A 90 6.020 14.459 2.298 1.00 64.33 C ATOM 1275 C ASN A 90 6.855 13.223 1.956 1.00 35.11 C ATOM 1276 O ASN A 90 6.451 12.373 1.158 1.00 15.54 O ATOM 1277 CB ASN A 90 4.526 14.352 1.945 1.00 20.03 C ATOM 1278 CG ASN A 90 3.707 15.125 2.964 1.00 74.31 C ATOM 1279 OD1 ASN A 90 3.530 16.338 2.872 1.00 24.13 O ATOM 1280 ND2 ASN A 90 3.278 14.440 4.009 1.00 72.11 N ATOM 0 H ASN A 90 6.707 15.575 0.680 1.00 22.00 H new ATOM 0 HA ASN A 90 6.065 14.529 3.385 1.00 64.33 H new ATOM 0 HB2 ASN A 90 4.349 14.748 0.945 1.00 20.03 H new ATOM 0 HB3 ASN A 90 4.218 13.306 1.933 1.00 20.03 H new ATOM 0 HD21 ASN A 90 2.787 14.917 4.765 1.00 72.11 H new ATOM 0 HD22 ASN A 90 3.438 13.434 4.060 1.00 72.11 H new ATOM 1286 N PRO A 91 8.044 13.087 2.570 1.00 61.44 N ATOM 1287 CA PRO A 91 8.943 11.970 2.311 1.00 15.40 C ATOM 1288 C PRO A 91 8.397 10.649 2.870 1.00 40.23 C ATOM 1289 O PRO A 91 8.765 9.597 2.356 1.00 44.11 O ATOM 1290 CB PRO A 91 10.262 12.344 2.999 1.00 32.01 C ATOM 1291 CG PRO A 91 9.790 13.219 4.160 1.00 35.04 C ATOM 1292 CD PRO A 91 8.609 13.974 3.575 1.00 3.30 C ATOM 0 HA PRO A 91 9.065 11.808 1.240 1.00 15.40 H new ATOM 0 HB2 PRO A 91 10.802 11.464 3.347 1.00 32.01 H new ATOM 0 HB3 PRO A 91 10.931 12.884 2.329 1.00 32.01 H new ATOM 0 HG2 PRO A 91 9.496 12.619 5.022 1.00 35.04 H new ATOM 0 HG3 PRO A 91 10.574 13.898 4.496 1.00 35.04 H new ATOM 0 HD2 PRO A 91 7.875 14.214 4.345 1.00 3.30 H new ATOM 0 HD3 PRO A 91 8.926 14.918 3.132 1.00 3.30 H new ATOM 1297 N THR A 92 7.550 10.657 3.907 1.00 2.30 N ATOM 1298 CA THR A 92 6.979 9.434 4.459 1.00 0.43 C ATOM 1299 C THR A 92 6.103 8.784 3.390 1.00 0.32 C ATOM 1300 O THR A 92 6.331 7.628 3.037 1.00 62.24 O ATOM 1301 CB THR A 92 6.213 9.721 5.770 1.00 61.05 C ATOM 1302 OG1 THR A 92 7.005 10.547 6.601 1.00 1.51 O ATOM 1303 CG2 THR A 92 5.891 8.426 6.518 1.00 64.43 C ATOM 0 H THR A 92 7.246 11.508 4.380 1.00 2.30 H new ATOM 0 HA THR A 92 7.771 8.735 4.728 1.00 0.43 H new ATOM 0 HB THR A 92 5.276 10.218 5.517 1.00 61.05 H new ATOM 0 HG1 THR A 92 6.522 10.733 7.433 1.00 1.51 H new ATOM 0 HG21 THR A 92 5.352 8.660 7.436 1.00 64.43 H new ATOM 0 HG22 THR A 92 5.273 7.786 5.888 1.00 64.43 H new ATOM 0 HG23 THR A 92 6.818 7.908 6.764 1.00 64.43 H new ATOM 1311 N ALA A 93 5.129 9.527 2.845 1.00 54.15 N ATOM 1312 CA ALA A 93 4.351 9.124 1.674 1.00 73.34 C ATOM 1313 C ALA A 93 5.291 8.742 0.527 1.00 14.11 C ATOM 1314 O ALA A 93 5.233 7.612 0.048 1.00 14.52 O ATOM 1315 CB ALA A 93 3.378 10.238 1.295 1.00 15.31 C ATOM 0 H ALA A 93 4.859 10.439 3.214 1.00 54.15 H new ATOM 0 HA ALA A 93 3.756 8.240 1.904 1.00 73.34 H new ATOM 0 HB1 ALA A 93 2.800 9.935 0.422 1.00 15.31 H new ATOM 0 HB2 ALA A 93 2.703 10.430 2.129 1.00 15.31 H new ATOM 0 HB3 ALA A 93 3.936 11.145 1.063 1.00 15.31 H new ATOM 1321 N LYS A 94 6.196 9.637 0.130 1.00 55.12 N ATOM 1322 CA LYS A 94 7.070 9.427 -1.018 1.00 54.33 C ATOM 1323 C LYS A 94 7.872 8.129 -0.950 1.00 75.42 C ATOM 1324 O LYS A 94 7.806 7.355 -1.903 1.00 71.24 O ATOM 1325 CB LYS A 94 7.979 10.642 -1.180 1.00 72.45 C ATOM 1326 CG LYS A 94 8.794 10.562 -2.468 1.00 72.45 C ATOM 1327 CD LYS A 94 9.324 11.927 -2.895 1.00 73.24 C ATOM 1328 CE LYS A 94 10.213 12.580 -1.830 1.00 22.01 C ATOM 1329 NZ LYS A 94 10.778 13.859 -2.293 1.00 52.23 N ATOM 0 H LYS A 94 6.342 10.531 0.599 1.00 55.12 H new ATOM 0 HA LYS A 94 6.437 9.317 -1.899 1.00 54.33 H new ATOM 0 HB2 LYS A 94 7.377 11.550 -1.185 1.00 72.45 H new ATOM 0 HB3 LYS A 94 8.652 10.711 -0.326 1.00 72.45 H new ATOM 0 HG2 LYS A 94 9.630 9.877 -2.326 1.00 72.45 H new ATOM 0 HG3 LYS A 94 8.174 10.149 -3.264 1.00 72.45 H new ATOM 0 HD2 LYS A 94 9.892 11.818 -3.819 1.00 73.24 H new ATOM 0 HD3 LYS A 94 8.483 12.586 -3.114 1.00 73.24 H new ATOM 0 HE2 LYS A 94 9.630 12.748 -0.924 1.00 22.01 H new ATOM 0 HE3 LYS A 94 11.023 11.900 -1.567 1.00 22.01 H new ATOM 0 HZ1 LYS A 94 11.372 14.267 -1.544 1.00 52.23 H new ATOM 0 HZ2 LYS A 94 11.355 13.696 -3.143 1.00 52.23 H new ATOM 0 HZ3 LYS A 94 10.006 14.518 -2.520 1.00 52.23 H new ATOM 1339 N TYR A 95 8.623 7.872 0.124 1.00 21.14 N ATOM 1340 CA TYR A 95 9.435 6.666 0.221 1.00 63.41 C ATOM 1341 C TYR A 95 8.548 5.426 0.215 1.00 51.21 C ATOM 1342 O TYR A 95 8.826 4.522 -0.566 1.00 44.24 O ATOM 1343 CB TYR A 95 10.319 6.637 1.475 1.00 42.11 C ATOM 1344 CG TYR A 95 11.528 7.551 1.512 1.00 73.01 C ATOM 1345 CD1 TYR A 95 12.547 7.443 0.545 1.00 33.40 C ATOM 1346 CD2 TYR A 95 11.685 8.446 2.584 1.00 51.12 C ATOM 1347 CE1 TYR A 95 13.714 8.218 0.655 1.00 24.22 C ATOM 1348 CE2 TYR A 95 12.861 9.198 2.723 1.00 31.11 C ATOM 1349 CZ TYR A 95 13.890 9.078 1.768 1.00 34.40 C ATOM 1350 OH TYR A 95 15.032 9.795 1.938 1.00 60.31 O ATOM 0 H TYR A 95 8.683 8.486 0.936 1.00 21.14 H new ATOM 0 HA TYR A 95 10.091 6.671 -0.649 1.00 63.41 H new ATOM 0 HB2 TYR A 95 9.691 6.878 2.333 1.00 42.11 H new ATOM 0 HB3 TYR A 95 10.669 5.614 1.614 1.00 42.11 H new ATOM 0 HD1 TYR A 95 12.431 6.761 -0.285 1.00 33.40 H new ATOM 0 HD2 TYR A 95 10.892 8.556 3.309 1.00 51.12 H new ATOM 0 HE1 TYR A 95 14.476 8.158 -0.108 1.00 24.22 H new ATOM 0 HE2 TYR A 95 12.978 9.869 3.562 1.00 31.11 H new ATOM 0 HH TYR A 95 14.965 10.327 2.758 1.00 60.31 H new ATOM 1359 N ARG A 96 7.518 5.324 1.071 1.00 44.32 N ATOM 1360 CA ARG A 96 6.696 4.114 1.098 1.00 11.22 C ATOM 1361 C ARG A 96 6.021 3.887 -0.262 1.00 60.23 C ATOM 1362 O ARG A 96 5.964 2.742 -0.697 1.00 34.10 O ATOM 1363 CB ARG A 96 5.768 4.080 2.336 1.00 2.40 C ATOM 1364 CG ARG A 96 4.585 5.049 2.333 1.00 53.33 C ATOM 1365 CD ARG A 96 4.005 5.302 3.744 1.00 44.44 C ATOM 1366 NE ARG A 96 3.621 6.714 3.881 1.00 33.43 N ATOM 1367 CZ ARG A 96 2.803 7.296 4.766 1.00 62.42 C ATOM 1368 NH1 ARG A 96 2.308 6.632 5.799 1.00 54.55 N ATOM 1369 NH2 ARG A 96 2.500 8.580 4.612 1.00 21.03 N ATOM 0 H ARG A 96 7.243 6.047 1.736 1.00 44.32 H new ATOM 0 HA ARG A 96 7.331 3.239 1.237 1.00 11.22 H new ATOM 0 HB2 ARG A 96 5.378 3.067 2.442 1.00 2.40 H new ATOM 0 HB3 ARG A 96 6.372 4.283 3.220 1.00 2.40 H new ATOM 0 HG2 ARG A 96 4.902 5.998 1.901 1.00 53.33 H new ATOM 0 HG3 ARG A 96 3.800 4.652 1.690 1.00 53.33 H new ATOM 0 HD2 ARG A 96 3.138 4.663 3.910 1.00 44.44 H new ATOM 0 HD3 ARG A 96 4.743 5.042 4.502 1.00 44.44 H new ATOM 0 HE ARG A 96 4.041 7.345 3.199 1.00 33.43 H new ATOM 0 HH11 ARG A 96 2.548 5.650 5.937 1.00 54.55 H new ATOM 0 HH12 ARG A 96 1.687 7.102 6.457 1.00 54.55 H new ATOM 0 HH21 ARG A 96 2.889 9.105 3.829 1.00 21.03 H new ATOM 0 HH22 ARG A 96 1.878 9.041 5.277 1.00 21.03 H new ATOM 1380 N ALA A 97 5.641 4.941 -0.999 1.00 14.52 N ATOM 1381 CA ALA A 97 5.180 4.830 -2.373 1.00 14.31 C ATOM 1382 C ALA A 97 6.272 4.265 -3.284 1.00 34.30 C ATOM 1383 O ALA A 97 6.043 3.325 -4.042 1.00 51.12 O ATOM 1384 CB ALA A 97 4.754 6.209 -2.886 1.00 20.02 C ATOM 0 H ALA A 97 5.648 5.898 -0.647 1.00 14.52 H new ATOM 0 HA ALA A 97 4.332 4.146 -2.390 1.00 14.31 H new ATOM 0 HB1 ALA A 97 4.409 6.123 -3.916 1.00 20.02 H new ATOM 0 HB2 ALA A 97 3.947 6.595 -2.264 1.00 20.02 H new ATOM 0 HB3 ALA A 97 5.603 6.891 -2.843 1.00 20.02 H new ATOM 1390 N ARG A 98 7.461 4.867 -3.259 1.00 24.32 N ATOM 1391 CA ARG A 98 8.551 4.507 -4.158 1.00 1.52 C ATOM 1392 C ARG A 98 9.119 3.127 -3.858 1.00 72.35 C ATOM 1393 O ARG A 98 9.660 2.493 -4.756 1.00 32.23 O ATOM 1394 CB ARG A 98 9.632 5.599 -4.116 1.00 41.24 C ATOM 1395 CG ARG A 98 9.341 6.642 -5.203 1.00 22.42 C ATOM 1396 CD ARG A 98 10.142 7.937 -5.012 1.00 35.23 C ATOM 1397 NE ARG A 98 10.259 8.729 -6.252 1.00 41.44 N ATOM 1398 CZ ARG A 98 9.296 9.181 -7.070 1.00 75.33 C ATOM 1399 NH1 ARG A 98 8.011 8.915 -6.864 1.00 42.52 N ATOM 1400 NH2 ARG A 98 9.625 9.907 -8.126 1.00 40.54 N ATOM 0 H ARG A 98 7.693 5.620 -2.612 1.00 24.32 H new ATOM 0 HA ARG A 98 8.155 4.446 -5.172 1.00 1.52 H new ATOM 0 HB2 ARG A 98 9.648 6.074 -3.135 1.00 41.24 H new ATOM 0 HB3 ARG A 98 10.617 5.158 -4.273 1.00 41.24 H new ATOM 0 HG2 ARG A 98 9.573 6.217 -6.180 1.00 22.42 H new ATOM 0 HG3 ARG A 98 8.276 6.875 -5.201 1.00 22.42 H new ATOM 0 HD2 ARG A 98 9.664 8.544 -4.243 1.00 35.23 H new ATOM 0 HD3 ARG A 98 11.140 7.691 -4.649 1.00 35.23 H new ATOM 0 HE ARG A 98 11.212 8.968 -6.528 1.00 41.44 H new ATOM 0 HH11 ARG A 98 7.729 8.350 -6.063 1.00 42.52 H new ATOM 0 HH12 ARG A 98 7.306 9.276 -7.507 1.00 42.52 H new ATOM 0 HH21 ARG A 98 10.605 10.119 -8.314 1.00 40.54 H new ATOM 0 HH22 ARG A 98 8.899 10.254 -8.753 1.00 40.54 H new ATOM 1411 N LEU A 99 8.984 2.623 -2.635 1.00 53.52 N ATOM 1412 CA LEU A 99 9.420 1.279 -2.275 1.00 4.30 C ATOM 1413 C LEU A 99 8.614 0.263 -3.069 1.00 21.15 C ATOM 1414 O LEU A 99 9.176 -0.623 -3.712 1.00 43.10 O ATOM 1415 CB LEU A 99 9.302 1.105 -0.760 1.00 63.43 C ATOM 1416 CG LEU A 99 10.241 0.022 -0.202 1.00 24.05 C ATOM 1417 CD1 LEU A 99 10.378 0.265 1.303 1.00 73.11 C ATOM 1418 CD2 LEU A 99 9.844 -1.416 -0.431 1.00 61.43 C ATOM 0 H LEU A 99 8.566 3.140 -1.861 1.00 53.52 H new ATOM 0 HA LEU A 99 10.467 1.117 -2.531 1.00 4.30 H new ATOM 0 HB2 LEU A 99 9.523 2.055 -0.273 1.00 63.43 H new ATOM 0 HB3 LEU A 99 8.273 0.850 -0.509 1.00 63.43 H new ATOM 0 HG LEU A 99 11.172 0.129 -0.759 1.00 24.05 H new ATOM 0 HD11 LEU A 99 11.039 -0.487 1.734 1.00 73.11 H new ATOM 0 HD12 LEU A 99 10.796 1.257 1.475 1.00 73.11 H new ATOM 0 HD13 LEU A 99 9.397 0.198 1.773 1.00 73.11 H new ATOM 0 HD21 LEU A 99 10.591 -2.075 0.012 1.00 61.43 H new ATOM 0 HD22 LEU A 99 8.875 -1.604 0.031 1.00 61.43 H new ATOM 0 HD23 LEU A 99 9.779 -1.609 -1.502 1.00 61.43 H new ATOM 1429 N MET A 100 7.300 0.487 -3.109 1.00 23.12 N ATOM 1430 CA MET A 100 6.372 -0.287 -3.919 1.00 21.45 C ATOM 1431 C MET A 100 6.834 -0.336 -5.383 1.00 41.34 C ATOM 1432 O MET A 100 6.656 -1.369 -6.010 1.00 15.45 O ATOM 1433 CB MET A 100 4.960 0.316 -3.872 1.00 51.42 C ATOM 1434 CG MET A 100 4.318 0.658 -2.519 1.00 22.05 C ATOM 1435 SD MET A 100 2.913 -0.355 -1.988 1.00 43.32 S ATOM 1436 CE MET A 100 3.651 -1.861 -1.330 1.00 11.24 C ATOM 0 H MET A 100 6.848 1.225 -2.569 1.00 23.12 H new ATOM 0 HA MET A 100 6.350 -1.295 -3.506 1.00 21.45 H new ATOM 0 HB2 MET A 100 4.978 1.231 -4.463 1.00 51.42 H new ATOM 0 HB3 MET A 100 4.293 -0.379 -4.381 1.00 51.42 H new ATOM 0 HG2 MET A 100 5.090 0.592 -1.753 1.00 22.05 H new ATOM 0 HG3 MET A 100 3.991 1.697 -2.554 1.00 22.05 H new ATOM 0 HE1 MET A 100 2.940 -2.682 -1.416 1.00 11.24 H new ATOM 0 HE2 MET A 100 4.552 -2.101 -1.894 1.00 11.24 H new ATOM 0 HE3 MET A 100 3.908 -1.712 -0.281 1.00 11.24 H new ATOM 1444 N LYS A 101 7.439 0.738 -5.928 1.00 35.13 N ATOM 1445 CA LYS A 101 7.864 0.813 -7.333 1.00 0.52 C ATOM 1446 C LYS A 101 8.748 -0.378 -7.650 1.00 2.32 C ATOM 1447 O LYS A 101 8.376 -1.216 -8.455 1.00 35.03 O ATOM 1448 CB LYS A 101 8.606 2.134 -7.646 1.00 42.41 C ATOM 1449 CG LYS A 101 8.856 2.354 -9.148 1.00 13.23 C ATOM 1450 CD LYS A 101 7.749 3.148 -9.866 1.00 0.04 C ATOM 1451 CE LYS A 101 8.335 4.434 -10.453 1.00 40.13 C ATOM 1452 NZ LYS A 101 7.362 5.158 -11.292 1.00 60.51 N ATOM 0 H LYS A 101 7.647 1.584 -5.397 1.00 35.13 H new ATOM 0 HA LYS A 101 6.973 0.793 -7.961 1.00 0.52 H new ATOM 0 HB2 LYS A 101 8.025 2.970 -7.256 1.00 42.41 H new ATOM 0 HB3 LYS A 101 9.562 2.138 -7.122 1.00 42.41 H new ATOM 0 HG2 LYS A 101 9.803 2.879 -9.274 1.00 13.23 H new ATOM 0 HG3 LYS A 101 8.963 1.383 -9.632 1.00 13.23 H new ATOM 0 HD2 LYS A 101 7.309 2.542 -10.658 1.00 0.04 H new ATOM 0 HD3 LYS A 101 6.948 3.388 -9.167 1.00 0.04 H new ATOM 0 HE2 LYS A 101 8.667 5.083 -9.643 1.00 40.13 H new ATOM 0 HE3 LYS A 101 9.215 4.191 -11.048 1.00 40.13 H new ATOM 0 HZ1 LYS A 101 7.803 6.022 -11.668 1.00 60.51 H new ATOM 0 HZ2 LYS A 101 7.064 4.550 -12.081 1.00 60.51 H new ATOM 0 HZ3 LYS A 101 6.532 5.414 -10.719 1.00 60.51 H new ATOM 1462 N LYS A 102 9.908 -0.468 -7.000 1.00 24.42 N ATOM 1463 CA LYS A 102 10.868 -1.505 -7.308 1.00 11.14 C ATOM 1464 C LYS A 102 10.263 -2.886 -7.083 1.00 42.52 C ATOM 1465 O LYS A 102 10.502 -3.778 -7.885 1.00 13.35 O ATOM 1466 CB LYS A 102 12.144 -1.280 -6.515 1.00 20.24 C ATOM 1467 CG LYS A 102 12.775 0.085 -6.836 1.00 75.02 C ATOM 1468 CD LYS A 102 14.281 0.075 -6.552 1.00 35.44 C ATOM 1469 CE LYS A 102 15.066 -0.156 -7.853 1.00 14.54 C ATOM 1470 NZ LYS A 102 16.318 -0.917 -7.652 1.00 34.25 N ATOM 0 H LYS A 102 10.197 0.169 -6.258 1.00 24.42 H new ATOM 0 HA LYS A 102 11.132 -1.456 -8.364 1.00 11.14 H new ATOM 0 HB2 LYS A 102 11.926 -1.339 -5.449 1.00 20.24 H new ATOM 0 HB3 LYS A 102 12.857 -2.073 -6.739 1.00 20.24 H new ATOM 0 HG2 LYS A 102 12.601 0.333 -7.883 1.00 75.02 H new ATOM 0 HG3 LYS A 102 12.294 0.861 -6.240 1.00 75.02 H new ATOM 0 HD2 LYS A 102 14.580 1.022 -6.102 1.00 35.44 H new ATOM 0 HD3 LYS A 102 14.517 -0.709 -5.832 1.00 35.44 H new ATOM 0 HE2 LYS A 102 14.433 -0.691 -8.561 1.00 14.54 H new ATOM 0 HE3 LYS A 102 15.303 0.808 -8.303 1.00 14.54 H new ATOM 0 HZ1 LYS A 102 16.800 -1.039 -8.565 1.00 34.25 H new ATOM 0 HZ2 LYS A 102 16.939 -0.398 -6.999 1.00 34.25 H new ATOM 0 HZ3 LYS A 102 16.096 -1.850 -7.250 1.00 34.25 H new ATOM 1480 N ILE A 103 9.456 -3.059 -6.037 1.00 11.35 N ATOM 1481 CA ILE A 103 8.738 -4.306 -5.804 1.00 35.03 C ATOM 1482 C ILE A 103 7.827 -4.653 -7.002 1.00 4.53 C ATOM 1483 O ILE A 103 7.840 -5.796 -7.441 1.00 52.21 O ATOM 1484 CB ILE A 103 8.027 -4.209 -4.433 1.00 20.24 C ATOM 1485 CG1 ILE A 103 9.113 -4.204 -3.327 1.00 15.31 C ATOM 1486 CG2 ILE A 103 7.038 -5.355 -4.173 1.00 3.44 C ATOM 1487 CD1 ILE A 103 8.576 -3.984 -1.913 1.00 42.24 C ATOM 0 H ILE A 103 9.284 -2.342 -5.332 1.00 11.35 H new ATOM 0 HA ILE A 103 9.419 -5.155 -5.743 1.00 35.03 H new ATOM 0 HB ILE A 103 7.439 -3.291 -4.429 1.00 20.24 H new ATOM 0 HG12 ILE A 103 9.647 -5.154 -3.356 1.00 15.31 H new ATOM 0 HG13 ILE A 103 9.839 -3.423 -3.552 1.00 15.31 H new ATOM 0 HG21 ILE A 103 6.577 -5.223 -3.194 1.00 3.44 H new ATOM 0 HG22 ILE A 103 6.265 -5.350 -4.942 1.00 3.44 H new ATOM 0 HG23 ILE A 103 7.569 -6.307 -4.198 1.00 3.44 H new ATOM 0 HD11 ILE A 103 9.404 -3.995 -1.204 1.00 42.24 H new ATOM 0 HD12 ILE A 103 8.068 -3.021 -1.862 1.00 42.24 H new ATOM 0 HD13 ILE A 103 7.873 -4.779 -1.663 1.00 42.24 H new ATOM 1498 N ALA A 104 7.045 -3.716 -7.545 1.00 34.31 N ATOM 1499 CA ALA A 104 6.183 -3.961 -8.703 1.00 73.43 C ATOM 1500 C ALA A 104 6.969 -4.105 -10.019 1.00 2.15 C ATOM 1501 O ALA A 104 6.431 -4.630 -10.995 1.00 31.14 O ATOM 1502 CB ALA A 104 5.148 -2.827 -8.816 1.00 55.00 C ATOM 0 H ALA A 104 6.992 -2.761 -7.191 1.00 34.31 H new ATOM 0 HA ALA A 104 5.681 -4.915 -8.541 1.00 73.43 H new ATOM 0 HB1 ALA A 104 4.504 -3.006 -9.677 1.00 55.00 H new ATOM 0 HB2 ALA A 104 4.542 -2.796 -7.910 1.00 55.00 H new ATOM 0 HB3 ALA A 104 5.664 -1.875 -8.940 1.00 55.00 H new ATOM 1508 N ASP A 105 8.222 -3.648 -10.050 1.00 75.54 N ATOM 1509 CA ASP A 105 9.133 -3.703 -11.196 1.00 22.25 C ATOM 1510 C ASP A 105 9.754 -5.096 -11.282 1.00 32.32 C ATOM 1511 O ASP A 105 9.806 -5.728 -12.339 1.00 33.35 O ATOM 1512 CB ASP A 105 10.236 -2.641 -11.018 1.00 35.11 C ATOM 1513 CG ASP A 105 10.937 -2.252 -12.316 1.00 40.33 C ATOM 1514 OD1 ASP A 105 11.479 -3.140 -13.016 1.00 73.11 O ATOM 1515 OD2 ASP A 105 11.002 -1.028 -12.590 1.00 54.04 O ATOM 0 H ASP A 105 8.651 -3.207 -9.236 1.00 75.54 H new ATOM 0 HA ASP A 105 8.586 -3.500 -12.117 1.00 22.25 H new ATOM 0 HB2 ASP A 105 9.798 -1.748 -10.572 1.00 35.11 H new ATOM 0 HB3 ASP A 105 10.979 -3.017 -10.315 1.00 35.11 H new ATOM 1519 N LEU A 106 10.217 -5.595 -10.136 1.00 24.35 N ATOM 1520 CA LEU A 106 10.871 -6.885 -9.937 1.00 71.01 C ATOM 1521 C LEU A 106 9.874 -8.044 -9.858 1.00 21.03 C ATOM 1522 O LEU A 106 10.282 -9.161 -9.537 1.00 53.23 O ATOM 1523 CB LEU A 106 11.705 -6.822 -8.645 1.00 61.41 C ATOM 1524 CG LEU A 106 12.883 -5.832 -8.629 1.00 74.14 C ATOM 1525 CD1 LEU A 106 13.300 -5.526 -7.183 1.00 63.44 C ATOM 1526 CD2 LEU A 106 14.080 -6.389 -9.401 1.00 61.23 C ATOM 0 H LEU A 106 10.139 -5.072 -9.264 1.00 24.35 H new ATOM 0 HA LEU A 106 11.508 -7.076 -10.800 1.00 71.01 H new ATOM 0 HB2 LEU A 106 11.037 -6.569 -7.821 1.00 61.41 H new ATOM 0 HB3 LEU A 106 12.096 -7.819 -8.444 1.00 61.41 H new ATOM 0 HG LEU A 106 12.555 -4.913 -9.114 1.00 74.14 H new ATOM 0 HD11 LEU A 106 14.134 -4.824 -7.186 1.00 63.44 H new ATOM 0 HD12 LEU A 106 12.459 -5.087 -6.647 1.00 63.44 H new ATOM 0 HD13 LEU A 106 13.604 -6.449 -6.689 1.00 63.44 H new ATOM 0 HD21 LEU A 106 14.898 -5.669 -9.373 1.00 61.23 H new ATOM 0 HD22 LEU A 106 14.404 -7.324 -8.944 1.00 61.23 H new ATOM 0 HD23 LEU A 106 13.792 -6.572 -10.436 1.00 61.23 H new ATOM 1537 N TRP A 107 8.590 -7.806 -10.129 1.00 54.40 N ATOM 1538 CA TRP A 107 7.560 -8.813 -9.960 1.00 35.44 C ATOM 1539 C TRP A 107 7.731 -9.952 -10.958 1.00 22.22 C ATOM 1540 O TRP A 107 8.020 -9.654 -12.141 1.00 12.33 O ATOM 1541 CB TRP A 107 6.174 -8.166 -10.052 1.00 43.23 C ATOM 1542 CG TRP A 107 5.077 -8.945 -9.396 1.00 71.44 C ATOM 1543 CD1 TRP A 107 4.238 -9.814 -10.004 1.00 0.41 C ATOM 1544 CD2 TRP A 107 4.613 -8.854 -8.016 1.00 60.13 C ATOM 1545 NE1 TRP A 107 3.346 -10.320 -9.081 1.00 23.14 N ATOM 1546 CE2 TRP A 107 3.532 -9.765 -7.840 1.00 42.12 C ATOM 1547 CE3 TRP A 107 4.934 -8.024 -6.922 1.00 62.22 C ATOM 1548 CZ2 TRP A 107 2.831 -9.885 -6.636 1.00 35.41 C ATOM 1549 CZ3 TRP A 107 4.196 -8.106 -5.725 1.00 72.03 C ATOM 1550 CH2 TRP A 107 3.165 -9.044 -5.567 1.00 0.34 C ATOM 0 H TRP A 107 8.243 -6.910 -10.471 1.00 54.40 H new ATOM 0 HA TRP A 107 7.658 -9.254 -8.968 1.00 35.44 H new ATOM 0 HB2 TRP A 107 6.219 -7.176 -9.599 1.00 43.23 H new ATOM 0 HB3 TRP A 107 5.923 -8.025 -11.103 1.00 43.23 H new ATOM 0 HD1 TRP A 107 4.262 -10.073 -11.052 1.00 0.41 H new ATOM 0 HE1 TRP A 107 2.636 -11.020 -9.295 1.00 23.14 H new ATOM 0 HE3 TRP A 107 5.750 -7.321 -7.002 1.00 62.22 H new ATOM 0 HZ2 TRP A 107 2.043 -10.616 -6.532 1.00 35.41 H new ATOM 0 HZ3 TRP A 107 4.429 -7.433 -4.913 1.00 72.03 H new ATOM 0 HH2 TRP A 107 2.634 -9.117 -4.630 1.00 0.34 H new TER 1560 TRP A 107