USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=19 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 69 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 72 MET CE :methyl -115:sc= -0.852 (180deg=-1.5) USER MOD Set 2.1: A 62 MET CE :methyl -173:sc= -0.597 (180deg=-0.915) USER MOD Set 2.2: A 66 GLN : amide:sc= -0.931 K(o=-1.5,f=-6.4!) USER MOD Single : A 1 GLY N :NH3+ -106:sc= 0.599 (180deg=-0.767!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.00735 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0621 USER MOD Single : A 8 ASN : amide:sc= 0.452 X(o=0.45,f=0) USER MOD Single : A 9 ASN : amide:sc= -0.0663 K(o=-0.066,f=-1.8!) USER MOD Single : A 12 SER OG : rot 180:sc=0.000592 USER MOD Single : A 14 ASN : amide:sc= -0.0819 K(o=-0.082,f=-1.3) USER MOD Single : A 16 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.15) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.584 K(o=-0.58,f=0) USER MOD Single : A 20 ASN : amide:sc= -1.08 K(o=-1.1,f=-0.013) 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=-0.00678 X(o=-0.0068,f=0) USER MOD Single : A 36 GLN : amide:sc= -1.7 K(o=-1.7,f=-2.6) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0675 USER MOD Single : A 50 GLN : amide:sc= -0.586 K(o=-0.59,f=-0.015) USER MOD Single : A 54 ASN : amide:sc= 0.632 X(o=0.63,f=0.18) USER MOD Single : A 56 GLN : amide:sc=-0.00978 X(o=-0.0098,f=-0.4) USER MOD Single : A 61 SER OG : rot 81:sc= 0.275 USER MOD Single : A 64 LYS NZ :NH3+ -143:sc= 1.21 (180deg=-0.0296) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 160:sc= 0 USER MOD Single : A 74 THR OG1 : rot -173:sc= -0.085 USER MOD Single : A 77 GLN : amide:sc= 0.646 K(o=0.65,f=-3.4!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.193 X(o=-0.19,f=-0.34) USER MOD Single : A 84 GLN : amide:sc= -0.825 K(o=-0.82,f=-1.9) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 ASN : amide:sc= 0.808 K(o=0.81,f=-1.8!) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 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 -175:sc= -0.204 (180deg=-0.253) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 156:sc=-0.00703 (180deg=-0.441) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -40.307 -12.030 23.309 1.00 43.04 N ATOM 2 CA GLY A 1 -39.238 -11.778 24.275 1.00 24.22 C ATOM 3 C GLY A 1 -38.677 -10.402 23.997 1.00 3.01 C ATOM 4 O GLY A 1 -39.361 -9.420 24.270 1.00 11.11 O ATOM 0 H1 GLY A 1 -41.229 -11.957 23.785 1.00 43.04 H new ATOM 0 H2 GLY A 1 -40.256 -11.328 22.544 1.00 43.04 H new ATOM 0 H3 GLY A 1 -40.197 -12.984 22.911 1.00 43.04 H new ATOM 0 HA2 GLY A 1 -39.623 -11.835 25.293 1.00 24.22 H new ATOM 0 HA3 GLY A 1 -38.457 -12.534 24.186 1.00 24.22 H new ATOM 8 N THR A 2 -37.468 -10.328 23.449 1.00 54.22 N ATOM 9 CA THR A 2 -36.959 -9.168 22.739 1.00 70.50 C ATOM 10 C THR A 2 -36.103 -9.805 21.640 1.00 50.31 C ATOM 11 O THR A 2 -35.133 -10.502 21.931 1.00 5.44 O ATOM 12 CB THR A 2 -36.270 -8.181 23.704 1.00 22.35 C ATOM 13 OG1 THR A 2 -35.888 -7.018 23.003 1.00 70.21 O ATOM 14 CG2 THR A 2 -35.065 -8.721 24.484 1.00 22.41 C ATOM 0 H THR A 2 -36.799 -11.097 23.490 1.00 54.22 H new ATOM 0 HA THR A 2 -37.704 -8.514 22.287 1.00 70.50 H new ATOM 0 HB THR A 2 -37.024 -7.974 24.463 1.00 22.35 H new ATOM 0 HG1 THR A 2 -35.452 -6.393 23.619 1.00 70.21 H new ATOM 0 HG21 THR A 2 -34.667 -7.936 25.127 1.00 22.41 H new ATOM 0 HG22 THR A 2 -35.377 -9.568 25.095 1.00 22.41 H new ATOM 0 HG23 THR A 2 -34.293 -9.043 23.785 1.00 22.41 H new ATOM 22 N ASP A 3 -36.604 -9.773 20.404 1.00 30.51 N ATOM 23 CA ASP A 3 -36.505 -10.925 19.499 1.00 3.13 C ATOM 24 C ASP A 3 -35.973 -10.510 18.122 1.00 25.31 C ATOM 25 O ASP A 3 -36.150 -11.231 17.141 1.00 42.01 O ATOM 26 CB ASP A 3 -37.883 -11.611 19.371 1.00 63.40 C ATOM 27 CG ASP A 3 -38.629 -11.770 20.698 1.00 73.14 C ATOM 28 OD1 ASP A 3 -38.277 -12.612 21.556 1.00 63.13 O ATOM 29 OD2 ASP A 3 -39.565 -10.982 20.962 1.00 3.01 O ATOM 0 H ASP A 3 -37.082 -8.965 20.005 1.00 30.51 H new ATOM 0 HA ASP A 3 -35.794 -11.634 19.922 1.00 3.13 H new ATOM 0 HB2 ASP A 3 -38.502 -11.032 18.686 1.00 63.40 H new ATOM 0 HB3 ASP A 3 -37.746 -12.595 18.923 1.00 63.40 H new ATOM 33 N PHE A 4 -35.372 -9.320 18.019 1.00 45.20 N ATOM 34 CA PHE A 4 -35.144 -8.625 16.755 1.00 34.22 C ATOM 35 C PHE A 4 -33.686 -8.177 16.655 1.00 10.14 C ATOM 36 O PHE A 4 -33.059 -7.881 17.671 1.00 22.13 O ATOM 37 CB PHE A 4 -36.093 -7.416 16.672 1.00 4.31 C ATOM 38 CG PHE A 4 -37.545 -7.724 16.999 1.00 54.01 C ATOM 39 CD1 PHE A 4 -38.383 -8.305 16.028 1.00 23.41 C ATOM 40 CD2 PHE A 4 -38.048 -7.472 18.292 1.00 72.41 C ATOM 41 CE1 PHE A 4 -39.712 -8.633 16.348 1.00 73.34 C ATOM 42 CE2 PHE A 4 -39.374 -7.812 18.614 1.00 21.55 C ATOM 43 CZ PHE A 4 -40.206 -8.391 17.641 1.00 34.52 C ATOM 0 H PHE A 4 -35.025 -8.806 18.829 1.00 45.20 H new ATOM 0 HA PHE A 4 -35.346 -9.298 15.922 1.00 34.22 H new ATOM 0 HB2 PHE A 4 -35.737 -6.644 17.355 1.00 4.31 H new ATOM 0 HB3 PHE A 4 -36.042 -7.000 15.666 1.00 4.31 H new ATOM 0 HD1 PHE A 4 -38.004 -8.499 15.035 1.00 23.41 H new ATOM 0 HD2 PHE A 4 -37.413 -7.016 19.037 1.00 72.41 H new ATOM 0 HE1 PHE A 4 -40.354 -9.072 15.599 1.00 73.34 H new ATOM 0 HE2 PHE A 4 -39.753 -7.628 19.609 1.00 21.55 H new ATOM 0 HZ PHE A 4 -41.225 -8.650 17.887 1.00 34.52 H new ATOM 52 N GLY A 5 -33.157 -8.069 15.432 1.00 30.24 N ATOM 53 CA GLY A 5 -31.769 -7.680 15.206 1.00 14.04 C ATOM 54 C GLY A 5 -31.389 -7.821 13.737 1.00 21.23 C ATOM 55 O GLY A 5 -30.525 -8.622 13.396 1.00 64.11 O ATOM 0 H GLY A 5 -33.681 -8.249 14.575 1.00 30.24 H new ATOM 0 HA2 GLY A 5 -31.621 -6.648 15.525 1.00 14.04 H new ATOM 0 HA3 GLY A 5 -31.111 -8.299 15.816 1.00 14.04 H new ATOM 59 N THR A 6 -32.053 -7.065 12.864 1.00 50.00 N ATOM 60 CA THR A 6 -31.980 -7.196 11.406 1.00 5.01 C ATOM 61 C THR A 6 -31.348 -5.960 10.739 1.00 65.33 C ATOM 62 O THR A 6 -31.303 -5.857 9.513 1.00 52.11 O ATOM 63 CB THR A 6 -33.410 -7.466 10.896 1.00 70.44 C ATOM 64 OG1 THR A 6 -34.341 -6.624 11.562 1.00 50.31 O ATOM 65 CG2 THR A 6 -33.836 -8.914 11.164 1.00 62.21 C ATOM 0 H THR A 6 -32.680 -6.317 13.161 1.00 50.00 H new ATOM 0 HA THR A 6 -31.325 -8.025 11.139 1.00 5.01 H new ATOM 0 HB THR A 6 -33.404 -7.271 9.824 1.00 70.44 H new ATOM 0 HG1 THR A 6 -35.244 -6.805 11.227 1.00 50.31 H new ATOM 0 HG21 THR A 6 -34.849 -9.070 10.792 1.00 62.21 H new ATOM 0 HG22 THR A 6 -33.153 -9.594 10.655 1.00 62.21 H new ATOM 0 HG23 THR A 6 -33.809 -9.109 12.236 1.00 62.21 H new ATOM 73 N THR A 7 -30.875 -5.000 11.533 1.00 33.12 N ATOM 74 CA THR A 7 -30.607 -3.611 11.179 1.00 53.23 C ATOM 75 C THR A 7 -29.376 -3.397 10.270 1.00 1.12 C ATOM 76 O THR A 7 -28.826 -2.297 10.252 1.00 2.41 O ATOM 77 CB THR A 7 -30.507 -2.802 12.496 1.00 71.31 C ATOM 78 OG1 THR A 7 -31.263 -3.404 13.541 1.00 34.43 O ATOM 79 CG2 THR A 7 -31.024 -1.368 12.331 1.00 42.34 C ATOM 0 H THR A 7 -30.654 -5.189 12.511 1.00 33.12 H new ATOM 0 HA THR A 7 -31.433 -3.255 10.563 1.00 53.23 H new ATOM 0 HB THR A 7 -29.447 -2.791 12.750 1.00 71.31 H new ATOM 0 HG1 THR A 7 -31.176 -2.869 14.357 1.00 34.43 H new ATOM 0 HG21 THR A 7 -30.935 -0.838 13.279 1.00 42.34 H new ATOM 0 HG22 THR A 7 -30.435 -0.854 11.571 1.00 42.34 H new ATOM 0 HG23 THR A 7 -32.070 -1.391 12.025 1.00 42.34 H new ATOM 87 N ASN A 8 -28.900 -4.400 9.523 1.00 73.54 N ATOM 88 CA ASN A 8 -27.756 -4.241 8.620 1.00 74.31 C ATOM 89 C ASN A 8 -27.956 -4.966 7.286 1.00 22.31 C ATOM 90 O ASN A 8 -27.033 -5.598 6.762 1.00 5.12 O ATOM 91 CB ASN A 8 -26.448 -4.637 9.320 1.00 11.02 C ATOM 92 CG ASN A 8 -25.306 -3.781 8.791 1.00 53.11 C ATOM 93 OD1 ASN A 8 -24.879 -2.855 9.473 1.00 53.20 O ATOM 94 ND2 ASN A 8 -24.830 -4.004 7.580 1.00 33.25 N ATOM 0 H ASN A 8 -29.295 -5.340 9.528 1.00 73.54 H new ATOM 0 HA ASN A 8 -27.682 -3.183 8.367 1.00 74.31 H new ATOM 0 HB2 ASN A 8 -26.546 -4.505 10.398 1.00 11.02 H new ATOM 0 HB3 ASN A 8 -26.236 -5.692 9.146 1.00 11.02 H new ATOM 0 HD21 ASN A 8 -24.098 -3.403 7.201 1.00 33.25 H new ATOM 0 HD22 ASN A 8 -25.194 -4.777 7.023 1.00 33.25 H new ATOM 100 N ASN A 9 -29.169 -4.902 6.737 1.00 2.11 N ATOM 101 CA ASN A 9 -29.467 -5.360 5.386 1.00 71.23 C ATOM 102 C ASN A 9 -30.394 -4.326 4.751 1.00 23.52 C ATOM 103 O ASN A 9 -31.603 -4.356 4.973 1.00 1.04 O ATOM 104 CB ASN A 9 -30.077 -6.771 5.412 1.00 52.00 C ATOM 105 CG ASN A 9 -30.032 -7.423 4.034 1.00 41.11 C ATOM 106 OD1 ASN A 9 -30.180 -6.779 3.000 1.00 51.14 O ATOM 107 ND2 ASN A 9 -29.779 -8.719 3.986 1.00 51.22 N ATOM 0 H ASN A 9 -29.981 -4.525 7.227 1.00 2.11 H new ATOM 0 HA ASN A 9 -28.560 -5.444 4.787 1.00 71.23 H new ATOM 0 HB2 ASN A 9 -29.535 -7.390 6.127 1.00 52.00 H new ATOM 0 HB3 ASN A 9 -31.110 -6.716 5.757 1.00 52.00 H new ATOM 0 HD21 ASN A 9 -29.705 -9.191 3.085 1.00 51.22 H new ATOM 0 HD22 ASN A 9 -29.657 -9.247 4.850 1.00 51.22 H new ATOM 113 N PHE A 10 -29.824 -3.333 4.067 1.00 25.23 N ATOM 114 CA PHE A 10 -30.561 -2.303 3.343 1.00 14.34 C ATOM 115 C PHE A 10 -29.673 -1.727 2.238 1.00 14.13 C ATOM 116 O PHE A 10 -28.450 -1.872 2.294 1.00 42.12 O ATOM 117 CB PHE A 10 -31.046 -1.201 4.308 1.00 63.52 C ATOM 118 CG PHE A 10 -29.994 -0.569 5.209 1.00 41.04 C ATOM 119 CD1 PHE A 10 -29.124 0.419 4.709 1.00 45.31 C ATOM 120 CD2 PHE A 10 -29.916 -0.931 6.568 1.00 70.54 C ATOM 121 CE1 PHE A 10 -28.190 1.043 5.554 1.00 12.31 C ATOM 122 CE2 PHE A 10 -28.991 -0.298 7.417 1.00 41.12 C ATOM 123 CZ PHE A 10 -28.134 0.694 6.913 1.00 13.32 C ATOM 0 H PHE A 10 -28.812 -3.222 4.001 1.00 25.23 H new ATOM 0 HA PHE A 10 -31.446 -2.744 2.885 1.00 14.34 H new ATOM 0 HB2 PHE A 10 -31.507 -0.410 3.717 1.00 63.52 H new ATOM 0 HB3 PHE A 10 -31.827 -1.623 4.941 1.00 63.52 H new ATOM 0 HD1 PHE A 10 -29.175 0.700 3.667 1.00 45.31 H new ATOM 0 HD2 PHE A 10 -30.569 -1.697 6.959 1.00 70.54 H new ATOM 0 HE1 PHE A 10 -27.517 1.789 5.159 1.00 12.31 H new ATOM 0 HE2 PHE A 10 -28.939 -0.575 8.459 1.00 41.12 H new ATOM 0 HZ PHE A 10 -27.433 1.188 7.570 1.00 13.32 H new ATOM 132 N VAL A 11 -30.281 -1.034 1.274 1.00 52.23 N ATOM 133 CA VAL A 11 -29.633 -0.339 0.168 1.00 74.30 C ATOM 134 C VAL A 11 -29.283 1.090 0.610 1.00 33.23 C ATOM 135 O VAL A 11 -29.896 1.628 1.536 1.00 10.24 O ATOM 136 CB VAL A 11 -30.589 -0.397 -1.053 1.00 22.33 C ATOM 137 CG1 VAL A 11 -31.958 0.263 -0.806 1.00 22.13 C ATOM 138 CG2 VAL A 11 -29.979 0.189 -2.331 1.00 74.30 C ATOM 0 H VAL A 11 -31.296 -0.939 1.245 1.00 52.23 H new ATOM 0 HA VAL A 11 -28.694 -0.808 -0.125 1.00 74.30 H new ATOM 0 HB VAL A 11 -30.746 -1.466 -1.196 1.00 22.33 H new ATOM 0 HG11 VAL A 11 -32.569 0.182 -1.705 1.00 22.13 H new ATOM 0 HG12 VAL A 11 -32.460 -0.240 0.021 1.00 22.13 H new ATOM 0 HG13 VAL A 11 -31.815 1.315 -0.558 1.00 22.13 H new ATOM 0 HG21 VAL A 11 -30.700 0.117 -3.145 1.00 74.30 H new ATOM 0 HG22 VAL A 11 -29.723 1.235 -2.165 1.00 74.30 H new ATOM 0 HG23 VAL A 11 -29.079 -0.368 -2.593 1.00 74.30 H new ATOM 148 N SER A 12 -28.327 1.717 -0.068 1.00 11.25 N ATOM 149 CA SER A 12 -27.910 3.098 0.158 1.00 22.25 C ATOM 150 C SER A 12 -28.351 3.999 -1.009 1.00 51.01 C ATOM 151 O SER A 12 -28.588 3.502 -2.110 1.00 3.21 O ATOM 152 CB SER A 12 -26.392 3.144 0.411 1.00 22.41 C ATOM 153 OG SER A 12 -25.663 2.162 -0.312 1.00 74.30 O ATOM 0 H SER A 12 -27.803 1.263 -0.816 1.00 11.25 H new ATOM 0 HA SER A 12 -28.402 3.491 1.048 1.00 22.25 H new ATOM 0 HB2 SER A 12 -26.018 4.132 0.143 1.00 22.41 H new ATOM 0 HB3 SER A 12 -26.206 3.011 1.477 1.00 22.41 H new ATOM 0 HG SER A 12 -24.708 2.247 -0.108 1.00 74.30 H new ATOM 158 N PRO A 13 -28.475 5.322 -0.804 1.00 21.11 N ATOM 159 CA PRO A 13 -28.757 6.274 -1.870 1.00 42.01 C ATOM 160 C PRO A 13 -27.517 6.538 -2.737 1.00 44.33 C ATOM 161 O PRO A 13 -26.407 6.096 -2.431 1.00 72.41 O ATOM 162 CB PRO A 13 -29.210 7.544 -1.143 1.00 52.22 C ATOM 163 CG PRO A 13 -28.392 7.504 0.145 1.00 45.20 C ATOM 164 CD PRO A 13 -28.359 6.012 0.469 1.00 64.54 C ATOM 0 HA PRO A 13 -29.514 5.901 -2.559 1.00 42.01 H new ATOM 0 HB2 PRO A 13 -29.002 8.441 -1.727 1.00 52.22 H new ATOM 0 HB3 PRO A 13 -30.281 7.535 -0.943 1.00 52.22 H new ATOM 0 HG2 PRO A 13 -27.391 7.911 0.003 1.00 45.20 H new ATOM 0 HG3 PRO A 13 -28.861 8.082 0.942 1.00 45.20 H new ATOM 0 HD2 PRO A 13 -27.432 5.743 0.975 1.00 64.54 H new ATOM 0 HD3 PRO A 13 -29.177 5.740 1.136 1.00 64.54 H new ATOM 169 N ASN A 14 -27.718 7.322 -3.799 1.00 65.22 N ATOM 170 CA ASN A 14 -26.709 7.794 -4.717 1.00 14.34 C ATOM 171 C ASN A 14 -25.667 8.612 -3.963 1.00 43.01 C ATOM 172 O ASN A 14 -25.916 9.675 -3.384 1.00 74.54 O ATOM 173 CB ASN A 14 -27.304 8.533 -5.930 1.00 43.24 C ATOM 174 CG ASN A 14 -27.777 9.955 -5.658 1.00 62.31 C ATOM 175 OD1 ASN A 14 -27.079 10.919 -5.970 1.00 33.41 O ATOM 176 ND2 ASN A 14 -28.962 10.116 -5.101 1.00 11.13 N ATOM 0 H ASN A 14 -28.649 7.658 -4.045 1.00 65.22 H new ATOM 0 HA ASN A 14 -26.205 6.929 -5.147 1.00 14.34 H new ATOM 0 HB2 ASN A 14 -26.554 8.562 -6.721 1.00 43.24 H new ATOM 0 HB3 ASN A 14 -28.146 7.954 -6.310 1.00 43.24 H new ATOM 0 HD21 ASN A 14 -29.317 11.055 -4.920 1.00 11.13 H new ATOM 0 HD22 ASN A 14 -29.523 9.302 -4.851 1.00 11.13 H new ATOM 182 N LEU A 15 -24.471 8.056 -3.978 1.00 5.25 N ATOM 183 CA LEU A 15 -23.210 8.733 -3.715 1.00 71.42 C ATOM 184 C LEU A 15 -22.592 9.086 -5.059 1.00 53.42 C ATOM 185 O LEU A 15 -21.958 8.262 -5.709 1.00 4.31 O ATOM 186 CB LEU A 15 -22.264 7.876 -2.860 1.00 5.44 C ATOM 187 CG LEU A 15 -20.925 8.601 -2.561 1.00 32.54 C ATOM 188 CD1 LEU A 15 -20.534 8.433 -1.094 1.00 2.25 C ATOM 189 CD2 LEU A 15 -19.753 8.072 -3.401 1.00 72.22 C ATOM 0 H LEU A 15 -24.343 7.065 -4.185 1.00 5.25 H new ATOM 0 HA LEU A 15 -23.388 9.638 -3.134 1.00 71.42 H new ATOM 0 HB2 LEU A 15 -22.755 7.622 -1.921 1.00 5.44 H new ATOM 0 HB3 LEU A 15 -22.060 6.938 -3.376 1.00 5.44 H new ATOM 0 HG LEU A 15 -21.102 9.647 -2.812 1.00 32.54 H new ATOM 0 HD11 LEU A 15 -19.592 8.949 -0.907 1.00 2.25 H new ATOM 0 HD12 LEU A 15 -21.312 8.857 -0.459 1.00 2.25 H new ATOM 0 HD13 LEU A 15 -20.418 7.373 -0.867 1.00 2.25 H new ATOM 0 HD21 LEU A 15 -18.846 8.619 -3.145 1.00 72.22 H new ATOM 0 HD22 LEU A 15 -19.607 7.012 -3.195 1.00 72.22 H new ATOM 0 HD23 LEU A 15 -19.973 8.209 -4.460 1.00 72.22 H new ATOM 200 N GLN A 16 -22.756 10.333 -5.481 1.00 65.41 N ATOM 201 CA GLN A 16 -22.050 10.904 -6.623 1.00 11.23 C ATOM 202 C GLN A 16 -20.870 11.766 -6.140 1.00 2.14 C ATOM 203 O GLN A 16 -20.561 12.787 -6.751 1.00 10.24 O ATOM 204 CB GLN A 16 -23.079 11.656 -7.489 1.00 25.15 C ATOM 205 CG GLN A 16 -24.158 10.713 -8.051 1.00 45.21 C ATOM 206 CD GLN A 16 -23.549 9.635 -8.945 1.00 24.25 C ATOM 207 OE1 GLN A 16 -23.178 9.911 -10.083 1.00 32.41 O ATOM 208 NE2 GLN A 16 -23.421 8.401 -8.485 1.00 51.23 N ATOM 0 H GLN A 16 -23.395 10.989 -5.032 1.00 65.41 H new ATOM 0 HA GLN A 16 -21.599 10.134 -7.249 1.00 11.23 H new ATOM 0 HB2 GLN A 16 -23.553 12.436 -6.893 1.00 25.15 H new ATOM 0 HB3 GLN A 16 -22.566 12.152 -8.313 1.00 25.15 H new ATOM 0 HG2 GLN A 16 -24.696 10.243 -7.228 1.00 45.21 H new ATOM 0 HG3 GLN A 16 -24.887 11.290 -8.620 1.00 45.21 H new ATOM 0 HE21 GLN A 16 -23.730 8.175 -7.540 1.00 51.23 H new ATOM 0 HE22 GLN A 16 -23.013 7.676 -9.076 1.00 51.23 H new ATOM 215 N LEU A 17 -20.240 11.390 -5.015 1.00 73.52 N ATOM 216 CA LEU A 17 -19.228 12.176 -4.309 1.00 41.04 C ATOM 217 C LEU A 17 -17.974 11.319 -4.148 1.00 53.44 C ATOM 218 O LEU A 17 -17.693 10.778 -3.075 1.00 53.12 O ATOM 219 CB LEU A 17 -19.718 12.684 -2.940 1.00 4.33 C ATOM 220 CG LEU A 17 -21.022 13.501 -2.949 1.00 3.34 C ATOM 221 CD1 LEU A 17 -22.253 12.600 -2.785 1.00 22.53 C ATOM 222 CD2 LEU A 17 -21.034 14.492 -1.787 1.00 22.12 C ATOM 0 H LEU A 17 -20.432 10.498 -4.560 1.00 73.52 H new ATOM 0 HA LEU A 17 -19.010 13.065 -4.901 1.00 41.04 H new ATOM 0 HB2 LEU A 17 -19.856 11.824 -2.284 1.00 4.33 H new ATOM 0 HB3 LEU A 17 -18.932 13.297 -2.500 1.00 4.33 H new ATOM 0 HG LEU A 17 -21.063 14.016 -3.909 1.00 3.34 H new ATOM 0 HD11 LEU A 17 -23.155 13.211 -2.796 1.00 22.53 H new ATOM 0 HD12 LEU A 17 -22.291 11.883 -3.605 1.00 22.53 H new ATOM 0 HD13 LEU A 17 -22.189 12.065 -1.838 1.00 22.53 H new ATOM 0 HD21 LEU A 17 -21.962 15.063 -1.806 1.00 22.12 H new ATOM 0 HD22 LEU A 17 -20.961 13.949 -0.845 1.00 22.12 H new ATOM 0 HD23 LEU A 17 -20.187 15.172 -1.880 1.00 22.12 H new ATOM 233 N LYS A 18 -17.243 11.158 -5.248 1.00 3.03 N ATOM 234 CA LYS A 18 -16.066 10.293 -5.310 1.00 50.03 C ATOM 235 C LYS A 18 -14.950 10.874 -4.439 1.00 11.23 C ATOM 236 O LYS A 18 -14.961 12.069 -4.119 1.00 65.51 O ATOM 237 CB LYS A 18 -15.669 10.086 -6.782 1.00 71.11 C ATOM 238 CG LYS A 18 -16.699 9.172 -7.471 1.00 45.10 C ATOM 239 CD LYS A 18 -16.563 9.094 -8.994 1.00 43.13 C ATOM 240 CE LYS A 18 -17.579 8.055 -9.486 1.00 44.10 C ATOM 241 NZ LYS A 18 -17.884 8.173 -10.925 1.00 32.12 N ATOM 0 H LYS A 18 -17.452 11.628 -6.129 1.00 3.03 H new ATOM 0 HA LYS A 18 -16.281 9.305 -4.903 1.00 50.03 H new ATOM 0 HB2 LYS A 18 -15.620 11.047 -7.295 1.00 71.11 H new ATOM 0 HB3 LYS A 18 -14.676 9.642 -6.842 1.00 71.11 H new ATOM 0 HG2 LYS A 18 -16.607 8.167 -7.059 1.00 45.10 H new ATOM 0 HG3 LYS A 18 -17.700 9.526 -7.226 1.00 45.10 H new ATOM 0 HD2 LYS A 18 -16.756 10.066 -9.448 1.00 43.13 H new ATOM 0 HD3 LYS A 18 -15.550 8.806 -9.276 1.00 43.13 H new ATOM 0 HE2 LYS A 18 -17.193 7.056 -9.284 1.00 44.10 H new ATOM 0 HE3 LYS A 18 -18.502 8.161 -8.916 1.00 44.10 H new ATOM 0 HZ1 LYS A 18 -18.575 7.444 -11.194 1.00 32.12 H new ATOM 0 HZ2 LYS A 18 -18.280 9.115 -11.120 1.00 32.12 H new ATOM 0 HZ3 LYS A 18 -17.012 8.043 -11.476 1.00 32.12 H new ATOM 251 N GLN A 19 -14.021 10.027 -3.997 1.00 74.30 N ATOM 252 CA GLN A 19 -13.062 10.370 -2.955 1.00 54.01 C ATOM 253 C GLN A 19 -11.829 9.470 -3.024 1.00 3.11 C ATOM 254 O GLN A 19 -11.806 8.512 -3.808 1.00 13.13 O ATOM 255 CB GLN A 19 -13.765 10.253 -1.595 1.00 43.01 C ATOM 256 CG GLN A 19 -14.408 8.880 -1.315 1.00 34.44 C ATOM 257 CD GLN A 19 -13.855 8.268 -0.036 1.00 54.41 C ATOM 258 OE1 GLN A 19 -14.342 8.543 1.058 1.00 71.13 O ATOM 259 NE2 GLN A 19 -12.819 7.456 -0.136 1.00 10.41 N ATOM 0 H GLN A 19 -13.914 9.078 -4.356 1.00 74.30 H new ATOM 0 HA GLN A 19 -12.711 11.392 -3.097 1.00 54.01 H new ATOM 0 HB2 GLN A 19 -13.041 10.467 -0.808 1.00 43.01 H new ATOM 0 HB3 GLN A 19 -14.538 11.019 -1.534 1.00 43.01 H new ATOM 0 HG2 GLN A 19 -15.489 8.991 -1.231 1.00 34.44 H new ATOM 0 HG3 GLN A 19 -14.221 8.209 -2.154 1.00 34.44 H new ATOM 0 HE21 GLN A 19 -12.428 7.239 -1.053 1.00 10.41 H new ATOM 0 HE22 GLN A 19 -12.410 7.046 0.703 1.00 10.41 H new ATOM 266 N ASN A 20 -10.840 9.745 -2.168 1.00 1.24 N ATOM 267 CA ASN A 20 -9.569 9.032 -2.059 1.00 42.43 C ATOM 268 C ASN A 20 -9.752 7.662 -1.407 1.00 32.11 C ATOM 269 O ASN A 20 -9.314 7.406 -0.282 1.00 22.51 O ATOM 270 CB ASN A 20 -8.542 9.884 -1.294 1.00 53.32 C ATOM 271 CG ASN A 20 -7.098 9.477 -1.575 1.00 34.51 C ATOM 272 OD1 ASN A 20 -6.244 10.336 -1.763 1.00 22.42 O ATOM 273 ND2 ASN A 20 -6.748 8.202 -1.622 1.00 50.20 N ATOM 0 H ASN A 20 -10.911 10.511 -1.499 1.00 1.24 H new ATOM 0 HA ASN A 20 -9.188 8.860 -3.066 1.00 42.43 H new ATOM 0 HB2 ASN A 20 -8.677 10.932 -1.562 1.00 53.32 H new ATOM 0 HB3 ASN A 20 -8.735 9.801 -0.224 1.00 53.32 H new ATOM 0 HD21 ASN A 20 -5.779 7.946 -1.813 1.00 50.20 H new ATOM 0 HD22 ASN A 20 -7.447 7.475 -1.468 1.00 50.20 H new ATOM 279 N VAL A 21 -10.391 6.752 -2.132 1.00 44.13 N ATOM 280 CA VAL A 21 -10.409 5.337 -1.798 1.00 13.23 C ATOM 281 C VAL A 21 -8.961 4.810 -1.873 1.00 1.21 C ATOM 282 O VAL A 21 -8.089 5.446 -2.471 1.00 45.31 O ATOM 283 CB VAL A 21 -11.421 4.621 -2.725 1.00 23.31 C ATOM 284 CG1 VAL A 21 -11.525 3.114 -2.464 1.00 13.14 C ATOM 285 CG2 VAL A 21 -12.835 5.208 -2.560 1.00 53.00 C ATOM 0 H VAL A 21 -10.916 6.980 -2.976 1.00 44.13 H new ATOM 0 HA VAL A 21 -10.753 5.141 -0.782 1.00 13.23 H new ATOM 0 HB VAL A 21 -11.039 4.781 -3.733 1.00 23.31 H new ATOM 0 HG11 VAL A 21 -12.251 2.676 -3.148 1.00 13.14 H new ATOM 0 HG12 VAL A 21 -10.552 2.649 -2.622 1.00 13.14 H new ATOM 0 HG13 VAL A 21 -11.846 2.944 -1.436 1.00 13.14 H new ATOM 0 HG21 VAL A 21 -13.525 4.686 -3.223 1.00 53.00 H new ATOM 0 HG22 VAL A 21 -13.161 5.086 -1.527 1.00 53.00 H new ATOM 0 HG23 VAL A 21 -12.821 6.268 -2.813 1.00 53.00 H new ATOM 295 N LEU A 22 -8.687 3.672 -1.230 1.00 22.12 N ATOM 296 CA LEU A 22 -7.382 3.020 -1.292 1.00 44.11 C ATOM 297 C LEU A 22 -7.305 2.079 -2.500 1.00 63.22 C ATOM 298 O LEU A 22 -8.341 1.550 -2.917 1.00 41.31 O ATOM 299 CB LEU A 22 -7.114 2.226 -0.001 1.00 5.22 C ATOM 300 CG LEU A 22 -6.853 3.130 1.216 1.00 74.20 C ATOM 301 CD1 LEU A 22 -6.796 2.283 2.489 1.00 45.10 C ATOM 302 CD2 LEU A 22 -5.551 3.931 1.091 1.00 63.44 C ATOM 0 H LEU A 22 -9.367 3.178 -0.652 1.00 22.12 H new ATOM 0 HA LEU A 22 -6.623 3.795 -1.398 1.00 44.11 H new ATOM 0 HB2 LEU A 22 -7.969 1.583 0.208 1.00 5.22 H new ATOM 0 HB3 LEU A 22 -6.254 1.574 -0.154 1.00 5.22 H new ATOM 0 HG LEU A 22 -7.677 3.842 1.263 1.00 74.20 H new ATOM 0 HD11 LEU A 22 -6.611 2.929 3.348 1.00 45.10 H new ATOM 0 HD12 LEU A 22 -7.745 1.764 2.623 1.00 45.10 H new ATOM 0 HD13 LEU A 22 -5.991 1.552 2.404 1.00 45.10 H new ATOM 0 HD21 LEU A 22 -5.419 4.551 1.978 1.00 63.44 H new ATOM 0 HD22 LEU A 22 -4.709 3.245 0.999 1.00 63.44 H new ATOM 0 HD23 LEU A 22 -5.599 4.567 0.207 1.00 63.44 H new ATOM 313 N PRO A 23 -6.094 1.817 -3.026 1.00 11.23 N ATOM 314 CA PRO A 23 -5.862 0.868 -4.110 1.00 63.51 C ATOM 315 C PRO A 23 -6.219 -0.584 -3.732 1.00 70.53 C ATOM 316 O PRO A 23 -6.579 -0.877 -2.583 1.00 70.32 O ATOM 317 CB PRO A 23 -4.382 1.029 -4.503 1.00 13.21 C ATOM 318 CG PRO A 23 -3.732 1.826 -3.385 1.00 53.22 C ATOM 319 CD PRO A 23 -4.879 2.549 -2.704 1.00 71.24 C ATOM 0 HA PRO A 23 -6.519 1.083 -4.953 1.00 63.51 H new ATOM 0 HB2 PRO A 23 -3.902 0.057 -4.619 1.00 13.21 H new ATOM 0 HB3 PRO A 23 -4.287 1.547 -5.457 1.00 13.21 H new ATOM 0 HG2 PRO A 23 -3.207 1.173 -2.688 1.00 53.22 H new ATOM 0 HG3 PRO A 23 -2.998 2.530 -3.777 1.00 53.22 H new ATOM 0 HD2 PRO A 23 -4.725 2.586 -1.626 1.00 71.24 H new ATOM 0 HD3 PRO A 23 -4.946 3.580 -3.052 1.00 71.24 H new ATOM 324 N PRO A 24 -6.172 -1.514 -4.704 1.00 13.03 N ATOM 325 CA PRO A 24 -6.321 -2.947 -4.456 1.00 65.50 C ATOM 326 C PRO A 24 -5.225 -3.488 -3.522 1.00 63.51 C ATOM 327 O PRO A 24 -4.327 -2.764 -3.101 1.00 10.33 O ATOM 328 CB PRO A 24 -6.327 -3.604 -5.841 1.00 73.10 C ATOM 329 CG PRO A 24 -5.641 -2.582 -6.747 1.00 64.24 C ATOM 330 CD PRO A 24 -6.019 -1.250 -6.129 1.00 11.15 C ATOM 0 HA PRO A 24 -7.245 -3.175 -3.925 1.00 65.50 H new ATOM 0 HB2 PRO A 24 -5.790 -4.553 -5.834 1.00 73.10 H new ATOM 0 HB3 PRO A 24 -7.342 -3.815 -6.177 1.00 73.10 H new ATOM 0 HG2 PRO A 24 -4.560 -2.724 -6.765 1.00 64.24 H new ATOM 0 HG3 PRO A 24 -5.990 -2.660 -7.777 1.00 64.24 H new ATOM 0 HD2 PRO A 24 -5.248 -0.501 -6.309 1.00 11.15 H new ATOM 0 HD3 PRO A 24 -6.944 -0.866 -6.559 1.00 11.15 H new ATOM 335 N THR A 25 -5.341 -4.749 -3.099 1.00 13.01 N ATOM 336 CA THR A 25 -4.428 -5.385 -2.143 1.00 44.41 C ATOM 337 C THR A 25 -4.634 -6.905 -2.178 1.00 5.14 C ATOM 338 O THR A 25 -5.737 -7.339 -2.538 1.00 4.13 O ATOM 339 CB THR A 25 -4.679 -4.858 -0.708 1.00 44.13 C ATOM 340 OG1 THR A 25 -5.896 -4.125 -0.583 1.00 61.13 O ATOM 341 CG2 THR A 25 -3.545 -3.952 -0.236 1.00 34.22 C ATOM 0 H THR A 25 -6.086 -5.369 -3.417 1.00 13.01 H new ATOM 0 HA THR A 25 -3.403 -5.143 -2.424 1.00 44.41 H new ATOM 0 HB THR A 25 -4.739 -5.754 -0.090 1.00 44.13 H new ATOM 0 HG1 THR A 25 -6.001 -3.820 0.342 1.00 61.13 H new ATOM 0 HG21 THR A 25 -3.756 -3.601 0.774 1.00 34.22 H new ATOM 0 HG22 THR A 25 -2.609 -4.510 -0.239 1.00 34.22 H new ATOM 0 HG23 THR A 25 -3.460 -3.097 -0.906 1.00 34.22 H new ATOM 349 N PRO A 26 -3.647 -7.718 -1.756 1.00 24.54 N ATOM 350 CA PRO A 26 -3.765 -9.167 -1.811 1.00 44.44 C ATOM 351 C PRO A 26 -4.738 -9.663 -0.738 1.00 13.13 C ATOM 352 O PRO A 26 -4.740 -9.169 0.391 1.00 72.10 O ATOM 353 CB PRO A 26 -2.347 -9.701 -1.591 1.00 62.23 C ATOM 354 CG PRO A 26 -1.703 -8.629 -0.717 1.00 63.42 C ATOM 355 CD PRO A 26 -2.398 -7.329 -1.111 1.00 63.42 C ATOM 0 HA PRO A 26 -4.166 -9.516 -2.763 1.00 44.44 H new ATOM 0 HB2 PRO A 26 -2.355 -10.673 -1.097 1.00 62.23 H new ATOM 0 HB3 PRO A 26 -1.813 -9.827 -2.533 1.00 62.23 H new ATOM 0 HG2 PRO A 26 -1.843 -8.846 0.342 1.00 63.42 H new ATOM 0 HG3 PRO A 26 -0.629 -8.571 -0.891 1.00 63.42 H new ATOM 0 HD2 PRO A 26 -2.588 -6.708 -0.236 1.00 63.42 H new ATOM 0 HD3 PRO A 26 -1.776 -6.744 -1.788 1.00 63.42 H new ATOM 360 N LYS A 27 -5.516 -10.705 -1.050 1.00 3.45 N ATOM 361 CA LYS A 27 -6.581 -11.246 -0.194 1.00 53.20 C ATOM 362 C LYS A 27 -6.046 -12.118 0.954 1.00 65.43 C ATOM 363 O LYS A 27 -6.491 -13.249 1.168 1.00 71.30 O ATOM 364 CB LYS A 27 -7.642 -11.943 -1.064 1.00 53.31 C ATOM 365 CG LYS A 27 -7.129 -13.155 -1.859 1.00 64.21 C ATOM 366 CD LYS A 27 -8.265 -13.789 -2.683 1.00 23.23 C ATOM 367 CE LYS A 27 -8.145 -15.313 -2.817 1.00 71.54 C ATOM 368 NZ LYS A 27 -8.890 -16.023 -1.756 1.00 33.11 N ATOM 0 H LYS A 27 -5.420 -11.211 -1.930 1.00 3.45 H new ATOM 0 HA LYS A 27 -7.069 -10.416 0.317 1.00 53.20 H new ATOM 0 HB2 LYS A 27 -8.462 -12.267 -0.423 1.00 53.31 H new ATOM 0 HB3 LYS A 27 -8.053 -11.215 -1.763 1.00 53.31 H new ATOM 0 HG2 LYS A 27 -6.322 -12.845 -2.522 1.00 64.21 H new ATOM 0 HG3 LYS A 27 -6.713 -13.895 -1.175 1.00 64.21 H new ATOM 0 HD2 LYS A 27 -9.220 -13.547 -2.217 1.00 23.23 H new ATOM 0 HD3 LYS A 27 -8.274 -13.344 -3.678 1.00 23.23 H new ATOM 0 HE2 LYS A 27 -8.521 -15.622 -3.792 1.00 71.54 H new ATOM 0 HE3 LYS A 27 -7.094 -15.599 -2.775 1.00 71.54 H new ATOM 0 HZ1 LYS A 27 -8.782 -17.050 -1.884 1.00 33.11 H new ATOM 0 HZ2 LYS A 27 -8.515 -15.749 -0.826 1.00 33.11 H new ATOM 0 HZ3 LYS A 27 -9.897 -15.771 -1.811 1.00 33.11 H new ATOM 378 N ASN A 28 -5.007 -11.651 1.630 1.00 65.13 N ATOM 379 CA ASN A 28 -4.180 -12.409 2.530 1.00 43.41 C ATOM 380 C ASN A 28 -4.025 -11.714 3.879 1.00 44.23 C ATOM 381 O ASN A 28 -3.909 -12.407 4.891 1.00 12.35 O ATOM 382 CB ASN A 28 -2.806 -12.631 1.882 1.00 13.34 C ATOM 383 CG ASN A 28 -2.800 -13.689 0.790 1.00 41.24 C ATOM 384 OD1 ASN A 28 -2.445 -14.829 1.058 1.00 45.14 O ATOM 385 ND2 ASN A 28 -3.225 -13.396 -0.430 1.00 11.32 N ATOM 0 H ASN A 28 -4.710 -10.678 1.554 1.00 65.13 H new ATOM 0 HA ASN A 28 -4.663 -13.368 2.717 1.00 43.41 H new ATOM 0 HB2 ASN A 28 -2.458 -11.688 1.461 1.00 13.34 H new ATOM 0 HB3 ASN A 28 -2.093 -12.918 2.655 1.00 13.34 H new ATOM 0 HD21 ASN A 28 -3.257 -14.121 -1.147 1.00 11.32 H new ATOM 0 HD22 ASN A 28 -3.521 -12.445 -0.652 1.00 11.32 H new ATOM 391 N ILE A 29 -3.932 -10.379 3.917 1.00 10.13 N ATOM 392 CA ILE A 29 -3.679 -9.600 5.125 1.00 44.03 C ATOM 393 C ILE A 29 -4.333 -8.215 4.959 1.00 61.14 C ATOM 394 O ILE A 29 -4.638 -7.834 3.825 1.00 14.42 O ATOM 395 CB ILE A 29 -2.151 -9.475 5.391 1.00 22.23 C ATOM 396 CG1 ILE A 29 -1.391 -8.489 4.484 1.00 51.02 C ATOM 397 CG2 ILE A 29 -1.423 -10.819 5.413 1.00 45.10 C ATOM 398 CD1 ILE A 29 -1.293 -8.843 3.011 1.00 33.15 C ATOM 0 H ILE A 29 -4.034 -9.800 3.084 1.00 10.13 H new ATOM 0 HA ILE A 29 -4.113 -10.103 5.989 1.00 44.03 H new ATOM 0 HB ILE A 29 -2.134 -9.046 6.393 1.00 22.23 H new ATOM 0 HG12 ILE A 29 -1.871 -7.514 4.567 1.00 51.02 H new ATOM 0 HG13 ILE A 29 -0.379 -8.381 4.874 1.00 51.02 H new ATOM 0 HG21 ILE A 29 -0.362 -10.655 5.603 1.00 45.10 H new ATOM 0 HG22 ILE A 29 -1.840 -11.446 6.201 1.00 45.10 H new ATOM 0 HG23 ILE A 29 -1.546 -11.315 4.450 1.00 45.10 H new ATOM 0 HD11 ILE A 29 -0.734 -8.068 2.487 1.00 33.15 H new ATOM 0 HD12 ILE A 29 -0.780 -9.798 2.900 1.00 33.15 H new ATOM 0 HD13 ILE A 29 -2.295 -8.918 2.587 1.00 33.15 H new ATOM 409 N PRO A 30 -4.527 -7.441 6.037 1.00 50.21 N ATOM 410 CA PRO A 30 -4.991 -6.055 5.964 1.00 34.24 C ATOM 411 C PRO A 30 -3.884 -5.100 5.488 1.00 10.35 C ATOM 412 O PRO A 30 -2.702 -5.440 5.545 1.00 10.01 O ATOM 413 CB PRO A 30 -5.436 -5.718 7.390 1.00 41.03 C ATOM 414 CG PRO A 30 -4.611 -6.641 8.273 1.00 30.22 C ATOM 415 CD PRO A 30 -4.382 -7.877 7.417 1.00 10.02 C ATOM 0 HA PRO A 30 -5.797 -5.941 5.239 1.00 34.24 H new ATOM 0 HB2 PRO A 30 -5.250 -4.671 7.627 1.00 41.03 H new ATOM 0 HB3 PRO A 30 -6.504 -5.890 7.524 1.00 41.03 H new ATOM 0 HG2 PRO A 30 -3.668 -6.177 8.561 1.00 30.22 H new ATOM 0 HG3 PRO A 30 -5.140 -6.888 9.194 1.00 30.22 H new ATOM 0 HD2 PRO A 30 -3.391 -8.295 7.592 1.00 10.02 H new ATOM 0 HD3 PRO A 30 -5.104 -8.658 7.658 1.00 10.02 H new ATOM 420 N LEU A 31 -4.250 -3.873 5.093 1.00 12.32 N ATOM 421 CA LEU A 31 -3.320 -2.788 4.738 1.00 24.54 C ATOM 422 C LEU A 31 -2.178 -2.642 5.764 1.00 54.30 C ATOM 423 O LEU A 31 -1.024 -2.749 5.358 1.00 21.42 O ATOM 424 CB LEU A 31 -4.105 -1.484 4.476 1.00 64.42 C ATOM 425 CG LEU A 31 -3.318 -0.202 4.147 1.00 51.41 C ATOM 426 CD1 LEU A 31 -2.692 0.494 5.360 1.00 63.51 C ATOM 427 CD2 LEU A 31 -2.254 -0.436 3.084 1.00 61.11 C ATOM 0 H LEU A 31 -5.229 -3.598 5.009 1.00 12.32 H new ATOM 0 HA LEU A 31 -2.815 -3.044 3.806 1.00 24.54 H new ATOM 0 HB2 LEU A 31 -4.792 -1.672 3.651 1.00 64.42 H new ATOM 0 HB3 LEU A 31 -4.714 -1.282 5.357 1.00 64.42 H new ATOM 0 HG LEU A 31 -4.077 0.475 3.756 1.00 51.41 H new ATOM 0 HD11 LEU A 31 -2.158 1.386 5.032 1.00 63.51 H new ATOM 0 HD12 LEU A 31 -3.476 0.778 6.062 1.00 63.51 H new ATOM 0 HD13 LEU A 31 -1.995 -0.186 5.850 1.00 63.51 H new ATOM 0 HD21 LEU A 31 -1.726 0.497 2.886 1.00 61.11 H new ATOM 0 HD22 LEU A 31 -1.546 -1.186 3.437 1.00 61.11 H new ATOM 0 HD23 LEU A 31 -2.727 -0.787 2.167 1.00 61.11 H new ATOM 438 N PRO A 32 -2.435 -2.462 7.076 1.00 52.14 N ATOM 439 CA PRO A 32 -1.388 -2.380 8.107 1.00 74.54 C ATOM 440 C PRO A 32 -0.546 -3.652 8.305 1.00 25.24 C ATOM 441 O PRO A 32 0.314 -3.668 9.187 1.00 44.00 O ATOM 442 CB PRO A 32 -2.101 -1.965 9.399 1.00 11.21 C ATOM 443 CG PRO A 32 -3.567 -2.300 9.151 1.00 41.34 C ATOM 444 CD PRO A 32 -3.727 -2.124 7.652 1.00 1.41 C ATOM 0 HA PRO A 32 -0.641 -1.654 7.785 1.00 74.54 H new ATOM 0 HB2 PRO A 32 -1.710 -2.508 10.260 1.00 11.21 H new ATOM 0 HB3 PRO A 32 -1.966 -0.903 9.603 1.00 11.21 H new ATOM 0 HG2 PRO A 32 -3.804 -3.317 9.462 1.00 41.34 H new ATOM 0 HG3 PRO A 32 -4.229 -1.635 9.705 1.00 41.34 H new ATOM 0 HD2 PRO A 32 -4.511 -2.774 7.263 1.00 1.41 H new ATOM 0 HD3 PRO A 32 -4.010 -1.100 7.406 1.00 1.41 H new ATOM 449 N ALA A 33 -0.746 -4.703 7.507 1.00 12.03 N ATOM 450 CA ALA A 33 0.127 -5.861 7.418 1.00 45.10 C ATOM 451 C ALA A 33 0.812 -5.922 6.054 1.00 2.42 C ATOM 452 O ALA A 33 1.970 -6.343 5.996 1.00 25.12 O ATOM 453 CB ALA A 33 -0.674 -7.118 7.728 1.00 73.51 C ATOM 0 H ALA A 33 -1.552 -4.767 6.885 1.00 12.03 H new ATOM 0 HA ALA A 33 0.925 -5.780 8.156 1.00 45.10 H new ATOM 0 HB1 ALA A 33 -0.023 -7.990 7.662 1.00 73.51 H new ATOM 0 HB2 ALA A 33 -1.086 -7.048 8.735 1.00 73.51 H new ATOM 0 HB3 ALA A 33 -1.487 -7.218 7.009 1.00 73.51 H new ATOM 459 N PHE A 34 0.173 -5.440 4.978 1.00 71.34 N ATOM 460 CA PHE A 34 0.729 -5.425 3.619 1.00 3.42 C ATOM 461 C PHE A 34 1.915 -4.457 3.431 1.00 11.34 C ATOM 462 O PHE A 34 2.301 -4.145 2.308 1.00 72.14 O ATOM 463 CB PHE A 34 -0.362 -5.202 2.552 1.00 54.24 C ATOM 464 CG PHE A 34 0.113 -5.475 1.121 1.00 53.10 C ATOM 465 CD1 PHE A 34 0.834 -6.649 0.808 1.00 4.41 C ATOM 466 CD2 PHE A 34 -0.044 -4.492 0.122 1.00 21.41 C ATOM 467 CE1 PHE A 34 1.417 -6.812 -0.459 1.00 52.20 C ATOM 468 CE2 PHE A 34 0.519 -4.666 -1.154 1.00 74.30 C ATOM 469 CZ PHE A 34 1.267 -5.817 -1.438 1.00 64.51 C ATOM 0 H PHE A 34 -0.764 -5.042 5.031 1.00 71.34 H new ATOM 0 HA PHE A 34 1.144 -6.422 3.473 1.00 3.42 H new ATOM 0 HB2 PHE A 34 -1.212 -5.848 2.773 1.00 54.24 H new ATOM 0 HB3 PHE A 34 -0.718 -4.174 2.618 1.00 54.24 H new ATOM 0 HD1 PHE A 34 0.938 -7.428 1.549 1.00 4.41 H new ATOM 0 HD2 PHE A 34 -0.604 -3.594 0.340 1.00 21.41 H new ATOM 0 HE1 PHE A 34 1.982 -7.705 -0.681 1.00 52.20 H new ATOM 0 HE2 PHE A 34 0.375 -3.913 -1.915 1.00 74.30 H new ATOM 0 HZ PHE A 34 1.727 -5.938 -2.408 1.00 64.51 H new ATOM 478 N GLY A 35 2.568 -4.018 4.502 1.00 65.51 N ATOM 479 CA GLY A 35 3.965 -3.650 4.371 1.00 24.24 C ATOM 480 C GLY A 35 4.731 -3.772 5.671 1.00 3.21 C ATOM 481 O GLY A 35 5.904 -4.154 5.651 1.00 4.04 O ATOM 0 H GLY A 35 2.168 -3.912 5.434 1.00 65.51 H new ATOM 0 HA2 GLY A 35 4.433 -4.284 3.618 1.00 24.24 H new ATOM 0 HA3 GLY A 35 4.033 -2.624 4.010 1.00 24.24 H new ATOM 485 N GLN A 36 4.060 -3.563 6.805 1.00 13.35 N ATOM 486 CA GLN A 36 4.675 -3.667 8.122 1.00 24.22 C ATOM 487 C GLN A 36 5.315 -5.038 8.366 1.00 21.31 C ATOM 488 O GLN A 36 6.241 -5.114 9.169 1.00 53.13 O ATOM 489 CB GLN A 36 3.610 -3.436 9.205 1.00 10.45 C ATOM 490 CG GLN A 36 3.162 -1.996 9.474 1.00 33.13 C ATOM 491 CD GLN A 36 2.760 -1.171 8.256 1.00 14.33 C ATOM 492 OE1 GLN A 36 1.970 -1.562 7.401 1.00 45.11 O ATOM 493 NE2 GLN A 36 3.286 0.032 8.149 1.00 33.55 N ATOM 0 H GLN A 36 3.071 -3.316 6.832 1.00 13.35 H new ATOM 0 HA GLN A 36 5.459 -2.911 8.167 1.00 24.22 H new ATOM 0 HB2 GLN A 36 2.727 -4.016 8.935 1.00 10.45 H new ATOM 0 HB3 GLN A 36 3.989 -3.849 10.140 1.00 10.45 H new ATOM 0 HG2 GLN A 36 2.317 -2.024 10.161 1.00 33.13 H new ATOM 0 HG3 GLN A 36 3.972 -1.476 9.986 1.00 33.13 H new ATOM 0 HE21 GLN A 36 3.943 0.366 8.854 1.00 33.55 H new ATOM 0 HE22 GLN A 36 3.036 0.630 7.361 1.00 33.55 H new ATOM 500 N ARG A 37 4.885 -6.105 7.679 1.00 53.11 N ATOM 501 CA ARG A 37 5.517 -7.427 7.754 1.00 41.13 C ATOM 502 C ARG A 37 5.649 -8.083 6.376 1.00 54.04 C ATOM 503 O ARG A 37 5.694 -9.309 6.285 1.00 71.50 O ATOM 504 CB ARG A 37 4.740 -8.302 8.754 1.00 31.11 C ATOM 505 CG ARG A 37 4.860 -7.761 10.185 1.00 54.42 C ATOM 506 CD ARG A 37 4.414 -8.790 11.226 1.00 4.44 C ATOM 507 NE ARG A 37 5.360 -8.825 12.359 1.00 24.45 N ATOM 508 CZ ARG A 37 5.148 -9.351 13.571 1.00 33.34 C ATOM 509 NH1 ARG A 37 3.944 -9.790 13.929 1.00 32.23 N ATOM 510 NH2 ARG A 37 6.165 -9.421 14.420 1.00 62.31 N ATOM 0 H ARG A 37 4.082 -6.073 7.051 1.00 53.11 H new ATOM 0 HA ARG A 37 6.539 -7.312 8.116 1.00 41.13 H new ATOM 0 HB2 ARG A 37 3.690 -8.341 8.465 1.00 31.11 H new ATOM 0 HB3 ARG A 37 5.119 -9.323 8.717 1.00 31.11 H new ATOM 0 HG2 ARG A 37 5.894 -7.474 10.379 1.00 54.42 H new ATOM 0 HG3 ARG A 37 4.255 -6.860 10.284 1.00 54.42 H new ATOM 0 HD2 ARG A 37 3.416 -8.542 11.586 1.00 4.44 H new ATOM 0 HD3 ARG A 37 4.351 -9.777 10.767 1.00 4.44 H new ATOM 0 HE ARG A 37 6.275 -8.402 12.201 1.00 24.45 H new ATOM 0 HH11 ARG A 37 3.164 -9.729 13.275 1.00 32.23 H new ATOM 0 HH12 ARG A 37 3.802 -10.188 14.857 1.00 32.23 H new ATOM 0 HH21 ARG A 37 7.085 -9.078 14.143 1.00 62.31 H new ATOM 0 HH22 ARG A 37 6.027 -9.818 15.349 1.00 62.31 H new ATOM 521 N ILE A 38 5.621 -7.286 5.304 1.00 65.42 N ATOM 522 CA ILE A 38 5.575 -7.773 3.921 1.00 64.24 C ATOM 523 C ILE A 38 6.495 -6.945 3.001 1.00 21.22 C ATOM 524 O ILE A 38 6.988 -7.479 2.019 1.00 21.52 O ATOM 525 CB ILE A 38 4.099 -7.799 3.427 1.00 63.13 C ATOM 526 CG1 ILE A 38 3.181 -8.756 4.230 1.00 31.24 C ATOM 527 CG2 ILE A 38 3.982 -8.116 1.926 1.00 4.11 C ATOM 528 CD1 ILE A 38 3.432 -10.247 4.091 1.00 42.30 C ATOM 0 H ILE A 38 5.630 -6.268 5.373 1.00 65.42 H new ATOM 0 HA ILE A 38 5.958 -8.793 3.886 1.00 64.24 H new ATOM 0 HB ILE A 38 3.746 -6.783 3.604 1.00 63.13 H new ATOM 0 HG12 ILE A 38 3.266 -8.497 5.285 1.00 31.24 H new ATOM 0 HG13 ILE A 38 2.150 -8.559 3.936 1.00 31.24 H new ATOM 0 HG21 ILE A 38 2.931 -8.121 1.636 1.00 4.11 H new ATOM 0 HG22 ILE A 38 4.513 -7.357 1.351 1.00 4.11 H new ATOM 0 HG23 ILE A 38 4.419 -9.094 1.726 1.00 4.11 H new ATOM 0 HD11 ILE A 38 2.718 -10.795 4.706 1.00 42.30 H new ATOM 0 HD12 ILE A 38 3.312 -10.540 3.048 1.00 42.30 H new ATOM 0 HD13 ILE A 38 4.446 -10.477 4.419 1.00 42.30 H new ATOM 539 N ILE A 39 6.749 -5.663 3.293 1.00 41.20 N ATOM 540 CA ILE A 39 7.481 -4.737 2.411 1.00 61.24 C ATOM 541 C ILE A 39 8.705 -4.167 3.152 1.00 21.23 C ATOM 542 O ILE A 39 9.441 -3.352 2.604 1.00 54.14 O ATOM 543 CB ILE A 39 6.486 -3.662 1.875 1.00 43.40 C ATOM 544 CG1 ILE A 39 5.313 -4.275 1.068 1.00 52.34 C ATOM 545 CG2 ILE A 39 7.096 -2.526 1.039 1.00 53.03 C ATOM 546 CD1 ILE A 39 5.691 -4.947 -0.258 1.00 1.05 C ATOM 0 H ILE A 39 6.447 -5.229 4.165 1.00 41.20 H new ATOM 0 HA ILE A 39 7.885 -5.248 1.537 1.00 61.24 H new ATOM 0 HB ILE A 39 6.128 -3.217 2.803 1.00 43.40 H new ATOM 0 HG12 ILE A 39 4.811 -5.011 1.696 1.00 52.34 H new ATOM 0 HG13 ILE A 39 4.589 -3.487 0.860 1.00 52.34 H new ATOM 0 HG21 ILE A 39 6.308 -1.843 0.724 1.00 53.03 H new ATOM 0 HG22 ILE A 39 7.827 -1.984 1.639 1.00 53.03 H new ATOM 0 HG23 ILE A 39 7.587 -2.944 0.160 1.00 53.03 H new ATOM 0 HD11 ILE A 39 4.793 -5.340 -0.736 1.00 1.05 H new ATOM 0 HD12 ILE A 39 6.162 -4.216 -0.915 1.00 1.05 H new ATOM 0 HD13 ILE A 39 6.387 -5.764 -0.067 1.00 1.05 H new ATOM 557 N GLY A 40 8.929 -4.562 4.411 1.00 1.31 N ATOM 558 CA GLY A 40 10.093 -4.152 5.189 1.00 25.52 C ATOM 559 C GLY A 40 10.004 -2.711 5.683 1.00 24.23 C ATOM 560 O GLY A 40 10.876 -2.259 6.422 1.00 53.21 O ATOM 0 H GLY A 40 8.298 -5.182 4.919 1.00 1.31 H new ATOM 0 HA2 GLY A 40 10.203 -4.817 6.045 1.00 25.52 H new ATOM 0 HA3 GLY A 40 10.989 -4.266 4.579 1.00 25.52 H new ATOM 564 N TRP A 41 8.944 -1.978 5.332 1.00 32.13 N ATOM 565 CA TRP A 41 8.901 -0.531 5.459 1.00 41.24 C ATOM 566 C TRP A 41 8.596 -0.052 6.873 1.00 62.23 C ATOM 567 O TRP A 41 8.255 1.117 7.052 1.00 21.51 O ATOM 568 CB TRP A 41 7.937 0.041 4.419 1.00 41.03 C ATOM 569 CG TRP A 41 6.459 -0.140 4.559 1.00 71.31 C ATOM 570 CD1 TRP A 41 5.757 -0.552 5.639 1.00 44.20 C ATOM 571 CD2 TRP A 41 5.472 0.130 3.530 1.00 12.21 C ATOM 572 NE1 TRP A 41 4.408 -0.498 5.366 1.00 70.34 N ATOM 573 CE2 TRP A 41 4.173 -0.107 4.065 1.00 41.42 C ATOM 574 CE3 TRP A 41 5.562 0.544 2.187 1.00 33.33 C ATOM 575 CZ2 TRP A 41 3.014 0.040 3.291 1.00 63.21 C ATOM 576 CZ3 TRP A 41 4.409 0.668 1.398 1.00 30.53 C ATOM 577 CH2 TRP A 41 3.145 0.431 1.949 1.00 62.12 C ATOM 0 H TRP A 41 8.089 -2.381 4.950 1.00 32.13 H new ATOM 0 HA TRP A 41 9.901 -0.147 5.259 1.00 41.24 H new ATOM 0 HB2 TRP A 41 8.124 1.114 4.366 1.00 41.03 H new ATOM 0 HB3 TRP A 41 8.221 -0.380 3.455 1.00 41.03 H new ATOM 0 HD1 TRP A 41 6.189 -0.875 6.575 1.00 44.20 H new ATOM 0 HE1 TRP A 41 3.676 -0.719 6.041 1.00 70.34 H new ATOM 0 HE3 TRP A 41 6.528 0.768 1.760 1.00 33.33 H new ATOM 0 HZ2 TRP A 41 2.039 -0.144 3.718 1.00 63.21 H new ATOM 0 HZ3 TRP A 41 4.497 0.948 0.359 1.00 30.53 H new ATOM 0 HH2 TRP A 41 2.263 0.550 1.337 1.00 62.12 H new ATOM 587 N GLY A 42 8.670 -0.950 7.855 1.00 3.15 N ATOM 588 CA GLY A 42 8.349 -0.719 9.248 1.00 42.40 C ATOM 589 C GLY A 42 7.024 0.001 9.339 1.00 1.03 C ATOM 590 O GLY A 42 5.991 -0.535 8.931 1.00 1.14 O ATOM 0 H GLY A 42 8.973 -1.908 7.682 1.00 3.15 H new ATOM 0 HA2 GLY A 42 8.299 -1.667 9.784 1.00 42.40 H new ATOM 0 HA3 GLY A 42 9.132 -0.126 9.721 1.00 42.40 H new ATOM 594 N THR A 43 7.057 1.237 9.821 1.00 3.43 N ATOM 595 CA THR A 43 5.880 2.071 9.887 1.00 34.22 C ATOM 596 C THR A 43 6.288 3.509 9.557 1.00 2.43 C ATOM 597 O THR A 43 7.416 3.940 9.830 1.00 14.35 O ATOM 598 CB THR A 43 5.210 1.887 11.267 1.00 5.12 C ATOM 599 OG1 THR A 43 5.209 0.526 11.669 1.00 53.40 O ATOM 600 CG2 THR A 43 3.751 2.329 11.236 1.00 2.12 C ATOM 0 H THR A 43 7.903 1.683 10.175 1.00 3.43 H new ATOM 0 HA THR A 43 5.126 1.789 9.152 1.00 34.22 H new ATOM 0 HB THR A 43 5.789 2.494 11.963 1.00 5.12 H new ATOM 0 HG1 THR A 43 4.780 0.444 12.546 1.00 53.40 H new ATOM 0 HG21 THR A 43 3.307 2.187 12.221 1.00 2.12 H new ATOM 0 HG22 THR A 43 3.696 3.382 10.961 1.00 2.12 H new ATOM 0 HG23 THR A 43 3.206 1.734 10.503 1.00 2.12 H new ATOM 608 N GLY A 44 5.350 4.257 8.973 1.00 14.43 N ATOM 609 CA GLY A 44 5.519 5.670 8.707 1.00 64.14 C ATOM 610 C GLY A 44 6.476 5.943 7.554 1.00 45.40 C ATOM 611 O GLY A 44 6.544 5.179 6.588 1.00 41.13 O ATOM 0 H GLY A 44 4.448 3.888 8.672 1.00 14.43 H new ATOM 0 HA2 GLY A 44 4.548 6.111 8.480 1.00 64.14 H new ATOM 0 HA3 GLY A 44 5.890 6.162 9.606 1.00 64.14 H new ATOM 615 N ALA A 45 7.114 7.112 7.592 1.00 74.30 N ATOM 616 CA ALA A 45 8.088 7.536 6.595 1.00 53.00 C ATOM 617 C ALA A 45 9.397 6.777 6.779 1.00 74.24 C ATOM 618 O ALA A 45 9.946 6.239 5.818 1.00 33.24 O ATOM 619 CB ALA A 45 8.329 9.045 6.719 1.00 4.15 C ATOM 0 H ALA A 45 6.964 7.800 8.330 1.00 74.30 H new ATOM 0 HA ALA A 45 7.698 7.317 5.601 1.00 53.00 H new ATOM 0 HB1 ALA A 45 9.058 9.360 5.972 1.00 4.15 H new ATOM 0 HB2 ALA A 45 7.392 9.578 6.558 1.00 4.15 H new ATOM 0 HB3 ALA A 45 8.709 9.272 7.715 1.00 4.15 H new ATOM 625 N GLU A 46 9.916 6.756 8.006 1.00 72.11 N ATOM 626 CA GLU A 46 11.231 6.311 8.329 1.00 54.02 C ATOM 627 C GLU A 46 11.440 4.855 7.945 1.00 32.22 C ATOM 628 O GLU A 46 12.432 4.563 7.297 1.00 30.52 O ATOM 629 CB GLU A 46 11.418 6.528 9.824 1.00 24.14 C ATOM 630 CG GLU A 46 12.900 6.492 10.153 1.00 61.10 C ATOM 631 CD GLU A 46 13.152 5.645 11.392 1.00 52.30 C ATOM 632 OE1 GLU A 46 13.024 4.406 11.313 1.00 61.11 O ATOM 633 OE2 GLU A 46 13.358 6.231 12.483 1.00 64.52 O ATOM 0 H GLU A 46 9.391 7.067 8.824 1.00 72.11 H new ATOM 0 HA GLU A 46 11.974 6.875 7.765 1.00 54.02 H new ATOM 0 HB2 GLU A 46 10.991 7.486 10.121 1.00 24.14 H new ATOM 0 HB3 GLU A 46 10.890 5.756 10.384 1.00 24.14 H new ATOM 0 HG2 GLU A 46 13.456 6.085 9.308 1.00 61.10 H new ATOM 0 HG3 GLU A 46 13.266 7.505 10.318 1.00 61.10 H new ATOM 638 N GLY A 47 10.531 3.938 8.281 1.00 32.43 N ATOM 639 CA GLY A 47 10.790 2.536 7.988 1.00 72.41 C ATOM 640 C GLY A 47 10.944 2.292 6.478 1.00 3.01 C ATOM 641 O GLY A 47 11.780 1.491 6.062 1.00 51.21 O ATOM 0 H GLY A 47 9.641 4.134 8.740 1.00 32.43 H new ATOM 0 HA2 GLY A 47 11.697 2.218 8.503 1.00 72.41 H new ATOM 0 HA3 GLY A 47 9.973 1.926 8.374 1.00 72.41 H new ATOM 645 N ALA A 48 10.207 3.032 5.640 1.00 32.14 N ATOM 646 CA ALA A 48 10.374 2.980 4.195 1.00 63.24 C ATOM 647 C ALA A 48 11.736 3.556 3.787 1.00 61.24 C ATOM 648 O ALA A 48 12.426 2.973 2.953 1.00 52.32 O ATOM 649 CB ALA A 48 9.226 3.723 3.502 1.00 3.33 C ATOM 0 H ALA A 48 9.482 3.679 5.950 1.00 32.14 H new ATOM 0 HA ALA A 48 10.346 1.938 3.876 1.00 63.24 H new ATOM 0 HB1 ALA A 48 9.362 3.677 2.422 1.00 3.33 H new ATOM 0 HB2 ALA A 48 8.278 3.256 3.768 1.00 3.33 H new ATOM 0 HB3 ALA A 48 9.221 4.765 3.823 1.00 3.33 H new ATOM 655 N ARG A 49 12.149 4.686 4.373 1.00 53.03 N ATOM 656 CA ARG A 49 13.465 5.301 4.174 1.00 11.44 C ATOM 657 C ARG A 49 14.572 4.335 4.582 1.00 12.03 C ATOM 658 O ARG A 49 15.633 4.347 3.964 1.00 21.34 O ATOM 659 CB ARG A 49 13.489 6.613 5.000 1.00 34.14 C ATOM 660 CG ARG A 49 14.816 7.385 5.142 1.00 24.51 C ATOM 661 CD ARG A 49 15.526 6.955 6.432 1.00 4.31 C ATOM 662 NE ARG A 49 16.727 7.750 6.745 1.00 4.23 N ATOM 663 CZ ARG A 49 17.095 8.266 7.931 1.00 41.20 C ATOM 664 NH1 ARG A 49 16.285 8.316 8.983 1.00 74.22 N ATOM 665 NH2 ARG A 49 18.303 8.790 8.039 1.00 21.55 N ATOM 0 H ARG A 49 11.559 5.212 5.017 1.00 53.03 H new ATOM 0 HA ARG A 49 13.640 5.533 3.124 1.00 11.44 H new ATOM 0 HB2 ARG A 49 12.759 7.292 4.559 1.00 34.14 H new ATOM 0 HB3 ARG A 49 13.138 6.376 6.004 1.00 34.14 H new ATOM 0 HG2 ARG A 49 15.455 7.191 4.281 1.00 24.51 H new ATOM 0 HG3 ARG A 49 14.624 8.458 5.161 1.00 24.51 H new ATOM 0 HD2 ARG A 49 14.825 7.030 7.263 1.00 4.31 H new ATOM 0 HD3 ARG A 49 15.809 5.906 6.347 1.00 4.31 H new ATOM 0 HE ARG A 49 17.358 7.931 5.964 1.00 4.23 H new ATOM 0 HH11 ARG A 49 15.335 7.952 8.913 1.00 74.22 H new ATOM 0 HH12 ARG A 49 16.614 8.718 9.861 1.00 74.22 H new ATOM 0 HH21 ARG A 49 18.930 8.796 7.235 1.00 21.55 H new ATOM 0 HH22 ARG A 49 18.609 9.189 8.927 1.00 21.55 H new ATOM 676 N GLN A 50 14.358 3.525 5.619 1.00 44.00 N ATOM 677 CA GLN A 50 15.350 2.601 6.132 1.00 11.43 C ATOM 678 C GLN A 50 15.596 1.477 5.143 1.00 31.53 C ATOM 679 O GLN A 50 16.747 1.085 5.005 1.00 34.32 O ATOM 680 CB GLN A 50 14.913 2.010 7.486 1.00 14.04 C ATOM 681 CG GLN A 50 14.915 3.012 8.646 1.00 53.44 C ATOM 682 CD GLN A 50 16.316 3.345 9.094 1.00 24.15 C ATOM 683 OE1 GLN A 50 16.919 2.615 9.875 1.00 71.34 O ATOM 684 NE2 GLN A 50 16.847 4.447 8.607 1.00 4.35 N ATOM 0 H GLN A 50 13.475 3.498 6.129 1.00 44.00 H new ATOM 0 HA GLN A 50 16.275 3.160 6.278 1.00 11.43 H new ATOM 0 HB2 GLN A 50 13.910 1.597 7.381 1.00 14.04 H new ATOM 0 HB3 GLN A 50 15.575 1.181 7.737 1.00 14.04 H new ATOM 0 HG2 GLN A 50 14.405 3.925 8.339 1.00 53.44 H new ATOM 0 HG3 GLN A 50 14.353 2.599 9.484 1.00 53.44 H new ATOM 0 HE21 GLN A 50 16.313 5.027 7.960 1.00 4.35 H new ATOM 0 HE22 GLN A 50 17.792 4.720 8.877 1.00 4.35 H new ATOM 691 N ARG A 51 14.565 0.960 4.468 1.00 70.30 N ATOM 692 CA ARG A 51 14.727 -0.195 3.582 1.00 1.25 C ATOM 693 C ARG A 51 15.024 0.200 2.142 1.00 2.15 C ATOM 694 O ARG A 51 15.835 -0.453 1.498 1.00 74.52 O ATOM 695 CB ARG A 51 13.494 -1.108 3.669 1.00 50.01 C ATOM 696 CG ARG A 51 13.690 -2.218 4.709 1.00 61.11 C ATOM 697 CD ARG A 51 13.967 -1.664 6.118 1.00 43.12 C ATOM 698 NE ARG A 51 13.576 -2.620 7.157 1.00 45.43 N ATOM 699 CZ ARG A 51 14.157 -3.789 7.424 1.00 73.44 C ATOM 700 NH1 ARG A 51 15.337 -4.114 6.903 1.00 30.24 N ATOM 701 NH2 ARG A 51 13.528 -4.646 8.216 1.00 4.35 N ATOM 0 H ARG A 51 13.613 1.322 4.518 1.00 70.30 H new ATOM 0 HA ARG A 51 15.601 -0.747 3.928 1.00 1.25 H new ATOM 0 HB2 ARG A 51 12.618 -0.514 3.929 1.00 50.01 H new ATOM 0 HB3 ARG A 51 13.299 -1.552 2.693 1.00 50.01 H new ATOM 0 HG2 ARG A 51 12.799 -2.846 4.738 1.00 61.11 H new ATOM 0 HG3 ARG A 51 14.520 -2.855 4.403 1.00 61.11 H new ATOM 0 HD2 ARG A 51 15.027 -1.431 6.217 1.00 43.12 H new ATOM 0 HD3 ARG A 51 13.421 -0.731 6.257 1.00 43.12 H new ATOM 0 HE ARG A 51 12.776 -2.364 7.736 1.00 45.43 H new ATOM 0 HH11 ARG A 51 15.818 -3.462 6.284 1.00 30.24 H new ATOM 0 HH12 ARG A 51 15.761 -5.015 7.123 1.00 30.24 H new ATOM 0 HH21 ARG A 51 12.618 -4.405 8.608 1.00 4.35 H new ATOM 0 HH22 ARG A 51 13.954 -5.547 8.434 1.00 4.35 H new ATOM 712 N LEU A 52 14.432 1.295 1.661 1.00 32.14 N ATOM 713 CA LEU A 52 14.517 1.760 0.274 1.00 13.32 C ATOM 714 C LEU A 52 15.946 1.714 -0.240 1.00 33.14 C ATOM 715 O LEU A 52 16.231 1.095 -1.263 1.00 54.21 O ATOM 716 CB LEU A 52 13.950 3.192 0.219 1.00 34.25 C ATOM 717 CG LEU A 52 14.377 4.035 -1.000 1.00 3.35 C ATOM 718 CD1 LEU A 52 14.070 3.389 -2.355 1.00 50.03 C ATOM 719 CD2 LEU A 52 13.734 5.420 -0.885 1.00 4.01 C ATOM 0 H LEU A 52 13.860 1.904 2.246 1.00 32.14 H new ATOM 0 HA LEU A 52 13.936 1.103 -0.373 1.00 13.32 H new ATOM 0 HB2 LEU A 52 12.862 3.133 0.233 1.00 34.25 H new ATOM 0 HB3 LEU A 52 14.252 3.718 1.125 1.00 34.25 H new ATOM 0 HG LEU A 52 15.464 4.112 -0.977 1.00 3.35 H new ATOM 0 HD11 LEU A 52 14.403 4.049 -3.156 1.00 50.03 H new ATOM 0 HD12 LEU A 52 14.592 2.435 -2.430 1.00 50.03 H new ATOM 0 HD13 LEU A 52 12.996 3.223 -2.444 1.00 50.03 H new ATOM 0 HD21 LEU A 52 14.026 6.029 -1.740 1.00 4.01 H new ATOM 0 HD22 LEU A 52 12.649 5.317 -0.867 1.00 4.01 H new ATOM 0 HD23 LEU A 52 14.068 5.901 0.034 1.00 4.01 H new ATOM 730 N GLU A 53 16.838 2.414 0.443 1.00 4.41 N ATOM 731 CA GLU A 53 18.125 2.799 -0.126 1.00 1.01 C ATOM 732 C GLU A 53 19.101 1.626 -0.198 1.00 11.02 C ATOM 733 O GLU A 53 20.162 1.749 -0.811 1.00 42.22 O ATOM 734 CB GLU A 53 18.675 4.017 0.642 1.00 25.35 C ATOM 735 CG GLU A 53 17.586 5.093 0.832 1.00 71.24 C ATOM 736 CD GLU A 53 18.074 6.473 1.251 1.00 1.31 C ATOM 737 OE1 GLU A 53 18.647 6.605 2.360 1.00 74.42 O ATOM 738 OE2 GLU A 53 17.713 7.467 0.574 1.00 10.33 O ATOM 0 H GLU A 53 16.694 2.731 1.402 1.00 4.41 H new ATOM 0 HA GLU A 53 17.985 3.097 -1.165 1.00 1.01 H new ATOM 0 HB2 GLU A 53 19.049 3.698 1.615 1.00 25.35 H new ATOM 0 HB3 GLU A 53 19.519 4.442 0.099 1.00 25.35 H new ATOM 0 HG2 GLU A 53 17.036 5.193 -0.104 1.00 71.24 H new ATOM 0 HG3 GLU A 53 16.879 4.737 1.581 1.00 71.24 H new ATOM 743 N ASN A 54 18.725 0.498 0.404 1.00 51.10 N ATOM 744 CA ASN A 54 19.589 -0.604 0.773 1.00 3.01 C ATOM 745 C ASN A 54 18.766 -1.889 0.837 1.00 44.33 C ATOM 746 O ASN A 54 18.939 -2.714 1.732 1.00 61.24 O ATOM 747 CB ASN A 54 20.271 -0.323 2.122 1.00 50.23 C ATOM 748 CG ASN A 54 19.286 0.038 3.221 1.00 2.04 C ATOM 749 OD1 ASN A 54 18.848 -0.793 4.011 1.00 32.32 O ATOM 750 ND2 ASN A 54 18.905 1.303 3.282 1.00 61.11 N ATOM 0 H ASN A 54 17.752 0.327 0.658 1.00 51.10 H new ATOM 0 HA ASN A 54 20.371 -0.720 0.022 1.00 3.01 H new ATOM 0 HB2 ASN A 54 20.840 -1.202 2.426 1.00 50.23 H new ATOM 0 HB3 ASN A 54 20.985 0.492 1.999 1.00 50.23 H new ATOM 0 HD21 ASN A 54 18.237 1.601 3.993 1.00 61.11 H new ATOM 0 HD22 ASN A 54 19.279 1.981 2.618 1.00 61.11 H new ATOM 756 N ILE A 55 17.820 -2.052 -0.081 1.00 42.03 N ATOM 757 CA ILE A 55 17.034 -3.272 -0.161 1.00 3.43 C ATOM 758 C ILE A 55 17.958 -4.428 -0.540 1.00 14.45 C ATOM 759 O ILE A 55 19.035 -4.210 -1.098 1.00 41.04 O ATOM 760 CB ILE A 55 15.894 -3.065 -1.166 1.00 21.44 C ATOM 761 CG1 ILE A 55 14.744 -4.062 -0.923 1.00 65.10 C ATOM 762 CG2 ILE A 55 16.372 -3.142 -2.621 1.00 12.22 C ATOM 763 CD1 ILE A 55 13.425 -3.375 -1.256 1.00 45.32 C ATOM 0 H ILE A 55 17.580 -1.350 -0.781 1.00 42.03 H new ATOM 0 HA ILE A 55 16.579 -3.518 0.798 1.00 3.43 H new ATOM 0 HB ILE A 55 15.519 -2.055 -1.001 1.00 21.44 H new ATOM 0 HG12 ILE A 55 14.875 -4.949 -1.543 1.00 65.10 H new ATOM 0 HG13 ILE A 55 14.745 -4.395 0.115 1.00 65.10 H new ATOM 0 HG21 ILE A 55 15.526 -2.989 -3.291 1.00 12.22 H new ATOM 0 HG22 ILE A 55 17.120 -2.370 -2.799 1.00 12.22 H new ATOM 0 HG23 ILE A 55 16.810 -4.122 -2.809 1.00 12.22 H new ATOM 0 HD11 ILE A 55 12.601 -4.069 -1.089 1.00 45.32 H new ATOM 0 HD12 ILE A 55 13.299 -2.501 -0.617 1.00 45.32 H new ATOM 0 HD13 ILE A 55 13.431 -3.063 -2.300 1.00 45.32 H new ATOM 774 N GLN A 56 17.520 -5.662 -0.313 1.00 24.52 N ATOM 775 CA GLN A 56 18.240 -6.849 -0.720 1.00 51.11 C ATOM 776 C GLN A 56 17.286 -7.713 -1.549 1.00 25.14 C ATOM 777 O GLN A 56 16.070 -7.632 -1.357 1.00 70.24 O ATOM 778 CB GLN A 56 18.747 -7.625 0.501 1.00 41.22 C ATOM 779 CG GLN A 56 19.212 -6.783 1.686 1.00 62.40 C ATOM 780 CD GLN A 56 20.391 -5.837 1.432 1.00 44.03 C ATOM 781 OE1 GLN A 56 21.117 -5.957 0.444 1.00 34.21 O ATOM 782 NE2 GLN A 56 20.693 -4.958 2.364 1.00 23.21 N ATOM 0 H GLN A 56 16.642 -5.861 0.166 1.00 24.52 H new ATOM 0 HA GLN A 56 19.112 -6.573 -1.312 1.00 51.11 H new ATOM 0 HB2 GLN A 56 17.951 -8.287 0.842 1.00 41.22 H new ATOM 0 HB3 GLN A 56 19.575 -8.259 0.185 1.00 41.22 H new ATOM 0 HG2 GLN A 56 18.367 -6.189 2.035 1.00 62.40 H new ATOM 0 HG3 GLN A 56 19.485 -7.457 2.498 1.00 62.40 H new ATOM 0 HE21 GLN A 56 20.093 -4.857 3.183 1.00 23.21 H new ATOM 0 HE22 GLN A 56 21.527 -4.378 2.267 1.00 23.21 H new ATOM 789 N PRO A 57 17.817 -8.613 -2.385 1.00 5.02 N ATOM 790 CA PRO A 57 17.024 -9.467 -3.256 1.00 1.44 C ATOM 791 C PRO A 57 16.097 -10.385 -2.461 1.00 74.34 C ATOM 792 O PRO A 57 14.977 -10.653 -2.885 1.00 62.10 O ATOM 793 CB PRO A 57 18.039 -10.257 -4.084 1.00 22.32 C ATOM 794 CG PRO A 57 19.364 -10.139 -3.327 1.00 11.03 C ATOM 795 CD PRO A 57 19.235 -8.810 -2.591 1.00 21.15 C ATOM 0 HA PRO A 57 16.360 -8.882 -3.893 1.00 1.44 H new ATOM 0 HB2 PRO A 57 17.736 -11.299 -4.186 1.00 22.32 H new ATOM 0 HB3 PRO A 57 18.125 -9.850 -5.092 1.00 22.32 H new ATOM 0 HG2 PRO A 57 19.506 -10.969 -2.635 1.00 11.03 H new ATOM 0 HG3 PRO A 57 20.216 -10.141 -4.007 1.00 11.03 H new ATOM 0 HD2 PRO A 57 19.769 -8.835 -1.641 1.00 21.15 H new ATOM 0 HD3 PRO A 57 19.663 -7.995 -3.176 1.00 21.15 H new ATOM 800 N ALA A 58 16.512 -10.842 -1.279 1.00 4.34 N ATOM 801 CA ALA A 58 15.659 -11.728 -0.493 1.00 54.21 C ATOM 802 C ALA A 58 14.400 -11.009 0.004 1.00 73.21 C ATOM 803 O ALA A 58 13.404 -11.671 0.305 1.00 44.20 O ATOM 804 CB ALA A 58 16.437 -12.293 0.687 1.00 12.04 C ATOM 0 H ALA A 58 17.412 -10.619 -0.854 1.00 4.34 H new ATOM 0 HA ALA A 58 15.342 -12.544 -1.142 1.00 54.21 H new ATOM 0 HB1 ALA A 58 15.791 -12.953 1.266 1.00 12.04 H new ATOM 0 HB2 ALA A 58 17.296 -12.856 0.321 1.00 12.04 H new ATOM 0 HB3 ALA A 58 16.782 -11.476 1.320 1.00 12.04 H new ATOM 810 N ASP A 59 14.437 -9.675 0.085 1.00 21.34 N ATOM 811 CA ASP A 59 13.352 -8.865 0.628 1.00 30.14 C ATOM 812 C ASP A 59 12.271 -8.570 -0.412 1.00 74.51 C ATOM 813 O ASP A 59 11.174 -8.157 -0.050 1.00 5.42 O ATOM 814 CB ASP A 59 13.895 -7.570 1.248 1.00 61.23 C ATOM 815 CG ASP A 59 13.301 -7.379 2.643 1.00 42.31 C ATOM 816 OD1 ASP A 59 13.708 -8.128 3.569 1.00 53.34 O ATOM 817 OD2 ASP A 59 12.453 -6.488 2.847 1.00 11.34 O ATOM 0 H ASP A 59 15.235 -9.124 -0.231 1.00 21.34 H new ATOM 0 HA ASP A 59 12.878 -9.450 1.416 1.00 30.14 H new ATOM 0 HB2 ASP A 59 14.983 -7.612 1.308 1.00 61.23 H new ATOM 0 HB3 ASP A 59 13.643 -6.719 0.615 1.00 61.23 H new ATOM 821 N VAL A 60 12.530 -8.850 -1.694 1.00 52.11 N ATOM 822 CA VAL A 60 11.489 -8.945 -2.713 1.00 50.20 C ATOM 823 C VAL A 60 11.032 -10.401 -2.831 1.00 24.32 C ATOM 824 O VAL A 60 9.829 -10.659 -2.860 1.00 74.21 O ATOM 825 CB VAL A 60 11.949 -8.284 -4.027 1.00 22.13 C ATOM 826 CG1 VAL A 60 13.323 -8.752 -4.500 1.00 44.24 C ATOM 827 CG2 VAL A 60 10.944 -8.485 -5.163 1.00 3.24 C ATOM 0 H VAL A 60 13.471 -9.017 -2.051 1.00 52.11 H new ATOM 0 HA VAL A 60 10.604 -8.377 -2.425 1.00 50.20 H new ATOM 0 HB VAL A 60 12.017 -7.224 -3.783 1.00 22.13 H new ATOM 0 HG11 VAL A 60 13.580 -8.244 -5.430 1.00 44.24 H new ATOM 0 HG12 VAL A 60 14.069 -8.518 -3.740 1.00 44.24 H new ATOM 0 HG13 VAL A 60 13.303 -9.829 -4.668 1.00 44.24 H new ATOM 0 HG21 VAL A 60 11.314 -8.001 -6.066 1.00 3.24 H new ATOM 0 HG22 VAL A 60 10.814 -9.551 -5.350 1.00 3.24 H new ATOM 0 HG23 VAL A 60 9.986 -8.047 -4.883 1.00 3.24 H new ATOM 837 N SER A 61 11.947 -11.371 -2.771 1.00 25.45 N ATOM 838 CA SER A 61 11.670 -12.808 -2.773 1.00 24.21 C ATOM 839 C SER A 61 10.971 -13.328 -1.502 1.00 72.52 C ATOM 840 O SER A 61 11.070 -14.510 -1.179 1.00 23.42 O ATOM 841 CB SER A 61 12.981 -13.563 -2.989 1.00 14.31 C ATOM 842 OG SER A 61 13.641 -13.103 -4.143 1.00 63.10 O ATOM 0 H SER A 61 12.945 -11.167 -2.717 1.00 25.45 H new ATOM 0 HA SER A 61 10.966 -12.986 -3.586 1.00 24.21 H new ATOM 0 HB2 SER A 61 13.627 -13.434 -2.120 1.00 14.31 H new ATOM 0 HB3 SER A 61 12.780 -14.630 -3.081 1.00 14.31 H new ATOM 0 HG SER A 61 14.130 -12.280 -3.934 1.00 63.10 H new ATOM 847 N MET A 62 10.287 -12.479 -0.747 1.00 33.15 N ATOM 848 CA MET A 62 9.312 -12.809 0.277 1.00 70.33 C ATOM 849 C MET A 62 7.924 -12.482 -0.268 1.00 33.15 C ATOM 850 O MET A 62 7.004 -13.279 -0.137 1.00 41.31 O ATOM 851 CB MET A 62 9.641 -12.096 1.585 1.00 61.13 C ATOM 852 CG MET A 62 9.725 -10.577 1.526 1.00 2.32 C ATOM 853 SD MET A 62 10.239 -9.842 3.095 1.00 32.45 S ATOM 854 CE MET A 62 8.797 -10.321 4.081 1.00 43.21 C ATOM 0 H MET A 62 10.410 -11.471 -0.843 1.00 33.15 H new ATOM 0 HA MET A 62 9.338 -13.872 0.517 1.00 70.33 H new ATOM 0 HB2 MET A 62 8.885 -12.368 2.322 1.00 61.13 H new ATOM 0 HB3 MET A 62 10.594 -12.477 1.951 1.00 61.13 H new ATOM 0 HG2 MET A 62 10.429 -10.287 0.746 1.00 2.32 H new ATOM 0 HG3 MET A 62 8.752 -10.175 1.243 1.00 2.32 H new ATOM 0 HE1 MET A 62 8.857 -9.854 5.064 1.00 43.21 H new ATOM 0 HE2 MET A 62 7.887 -9.993 3.578 1.00 43.21 H new ATOM 0 HE3 MET A 62 8.778 -11.405 4.195 1.00 43.21 H new ATOM 862 N ILE A 63 7.779 -11.368 -0.986 1.00 12.21 N ATOM 863 CA ILE A 63 6.522 -10.776 -1.412 1.00 74.14 C ATOM 864 C ILE A 63 5.727 -11.774 -2.260 1.00 64.33 C ATOM 865 O ILE A 63 4.506 -11.892 -2.156 1.00 25.13 O ATOM 866 CB ILE A 63 6.802 -9.430 -2.124 1.00 1.21 C ATOM 867 CG1 ILE A 63 7.664 -8.492 -1.243 1.00 52.03 C ATOM 868 CG2 ILE A 63 5.479 -8.724 -2.458 1.00 62.11 C ATOM 869 CD1 ILE A 63 8.119 -7.221 -1.955 1.00 14.24 C ATOM 0 H ILE A 63 8.585 -10.828 -1.301 1.00 12.21 H new ATOM 0 HA ILE A 63 5.892 -10.550 -0.551 1.00 74.14 H new ATOM 0 HB ILE A 63 7.350 -9.651 -3.040 1.00 1.21 H new ATOM 0 HG12 ILE A 63 7.093 -8.216 -0.357 1.00 52.03 H new ATOM 0 HG13 ILE A 63 8.542 -9.038 -0.899 1.00 52.03 H new ATOM 0 HG21 ILE A 63 5.687 -7.778 -2.958 1.00 62.11 H new ATOM 0 HG22 ILE A 63 4.884 -9.359 -3.115 1.00 62.11 H new ATOM 0 HG23 ILE A 63 4.926 -8.533 -1.538 1.00 62.11 H new ATOM 0 HD11 ILE A 63 8.717 -6.616 -1.273 1.00 14.24 H new ATOM 0 HD12 ILE A 63 8.718 -7.486 -2.826 1.00 14.24 H new ATOM 0 HD13 ILE A 63 7.247 -6.651 -2.275 1.00 14.24 H new ATOM 880 N LYS A 64 6.424 -12.571 -3.058 1.00 43.41 N ATOM 881 CA LYS A 64 5.769 -13.500 -3.980 1.00 23.43 C ATOM 882 C LYS A 64 5.126 -14.657 -3.226 1.00 51.42 C ATOM 883 O LYS A 64 4.103 -15.179 -3.670 1.00 13.05 O ATOM 884 CB LYS A 64 6.752 -14.014 -5.037 1.00 42.00 C ATOM 885 CG LYS A 64 7.353 -12.870 -5.877 1.00 44.24 C ATOM 886 CD LYS A 64 8.834 -12.642 -5.577 1.00 51.32 C ATOM 887 CE LYS A 64 9.450 -11.540 -6.444 1.00 70.23 C ATOM 888 NZ LYS A 64 9.640 -11.941 -7.855 1.00 5.02 N ATOM 0 H LYS A 64 7.443 -12.596 -3.089 1.00 43.41 H new ATOM 0 HA LYS A 64 4.979 -12.955 -4.496 1.00 23.43 H new ATOM 0 HB2 LYS A 64 7.556 -14.564 -4.547 1.00 42.00 H new ATOM 0 HB3 LYS A 64 6.241 -14.716 -5.695 1.00 42.00 H new ATOM 0 HG2 LYS A 64 7.231 -13.098 -6.936 1.00 44.24 H new ATOM 0 HG3 LYS A 64 6.800 -11.951 -5.682 1.00 44.24 H new ATOM 0 HD2 LYS A 64 8.951 -12.380 -4.526 1.00 51.32 H new ATOM 0 HD3 LYS A 64 9.380 -13.572 -5.736 1.00 51.32 H new ATOM 0 HE2 LYS A 64 8.810 -10.659 -6.407 1.00 70.23 H new ATOM 0 HE3 LYS A 64 10.413 -11.252 -6.023 1.00 70.23 H new ATOM 0 HZ1 LYS A 64 10.524 -11.530 -8.217 1.00 5.02 H new ATOM 0 HZ2 LYS A 64 9.690 -12.978 -7.918 1.00 5.02 H new ATOM 0 HZ3 LYS A 64 8.840 -11.598 -8.424 1.00 5.02 H new ATOM 898 N LYS A 65 5.683 -15.019 -2.067 1.00 65.23 N ATOM 899 CA LYS A 65 5.151 -16.043 -1.179 1.00 50.43 C ATOM 900 C LYS A 65 3.924 -15.561 -0.421 1.00 10.34 C ATOM 901 O LYS A 65 3.235 -16.378 0.193 1.00 2.01 O ATOM 902 CB LYS A 65 6.251 -16.483 -0.192 1.00 22.32 C ATOM 903 CG LYS A 65 7.392 -17.244 -0.888 1.00 63.14 C ATOM 904 CD LYS A 65 8.705 -16.450 -0.892 1.00 25.21 C ATOM 905 CE LYS A 65 9.414 -16.496 0.471 1.00 24.53 C ATOM 906 NZ LYS A 65 10.102 -17.778 0.730 1.00 12.23 N ATOM 0 H LYS A 65 6.540 -14.593 -1.715 1.00 65.23 H new ATOM 0 HA LYS A 65 4.838 -16.890 -1.789 1.00 50.43 H new ATOM 0 HB2 LYS A 65 6.657 -15.605 0.311 1.00 22.32 H new ATOM 0 HB3 LYS A 65 5.812 -17.117 0.578 1.00 22.32 H new ATOM 0 HG2 LYS A 65 7.549 -18.198 -0.385 1.00 63.14 H new ATOM 0 HG3 LYS A 65 7.103 -17.468 -1.915 1.00 63.14 H new ATOM 0 HD2 LYS A 65 9.368 -16.851 -1.659 1.00 25.21 H new ATOM 0 HD3 LYS A 65 8.500 -15.413 -1.159 1.00 25.21 H new ATOM 0 HE2 LYS A 65 10.141 -15.685 0.522 1.00 24.53 H new ATOM 0 HE3 LYS A 65 8.682 -16.319 1.259 1.00 24.53 H new ATOM 0 HZ1 LYS A 65 10.559 -17.744 1.663 1.00 12.23 H new ATOM 0 HZ2 LYS A 65 9.409 -18.554 0.712 1.00 12.23 H new ATOM 0 HZ3 LYS A 65 10.822 -17.940 -0.003 1.00 12.23 H new ATOM 916 N GLN A 66 3.625 -14.259 -0.442 1.00 45.34 N ATOM 917 CA GLN A 66 2.611 -13.611 0.371 1.00 53.01 C ATOM 918 C GLN A 66 1.330 -13.374 -0.423 1.00 64.21 C ATOM 919 O GLN A 66 0.566 -12.447 -0.141 1.00 14.44 O ATOM 920 CB GLN A 66 3.065 -12.490 1.318 1.00 62.33 C ATOM 921 CG GLN A 66 4.346 -11.787 0.956 1.00 32.21 C ATOM 922 CD GLN A 66 5.494 -11.714 1.956 1.00 31.31 C ATOM 923 OE1 GLN A 66 6.315 -10.817 1.908 1.00 65.32 O ATOM 924 NE2 GLN A 66 5.698 -12.728 2.765 1.00 61.30 N ATOM 0 H GLN A 66 4.109 -13.605 -1.057 1.00 45.34 H new ATOM 0 HA GLN A 66 2.355 -14.339 1.141 1.00 53.01 H new ATOM 0 HB2 GLN A 66 2.270 -11.746 1.373 1.00 62.33 H new ATOM 0 HB3 GLN A 66 3.177 -12.911 2.317 1.00 62.33 H new ATOM 0 HG2 GLN A 66 4.733 -12.265 0.056 1.00 32.21 H new ATOM 0 HG3 GLN A 66 4.087 -10.763 0.687 1.00 32.21 H new ATOM 0 HE21 GLN A 66 5.017 -13.486 2.814 1.00 61.30 H new ATOM 0 HE22 GLN A 66 6.537 -12.758 3.344 1.00 61.30 H new ATOM 931 N GLY A 67 1.130 -14.178 -1.465 1.00 12.25 N ATOM 932 CA GLY A 67 -0.060 -14.106 -2.285 1.00 45.03 C ATOM 933 C GLY A 67 -0.088 -12.831 -3.106 1.00 2.44 C ATOM 934 O GLY A 67 -1.172 -12.352 -3.434 1.00 53.34 O ATOM 0 H GLY A 67 1.793 -14.895 -1.758 1.00 12.25 H new ATOM 0 HA2 GLY A 67 -0.099 -14.969 -2.949 1.00 45.03 H new ATOM 0 HA3 GLY A 67 -0.945 -14.152 -1.650 1.00 45.03 H new ATOM 938 N THR A 68 1.078 -12.263 -3.417 1.00 61.13 N ATOM 939 CA THR A 68 1.209 -10.968 -4.080 1.00 71.53 C ATOM 940 C THR A 68 1.891 -11.132 -5.450 1.00 50.12 C ATOM 941 O THR A 68 2.592 -12.119 -5.701 1.00 53.34 O ATOM 942 CB THR A 68 1.971 -10.043 -3.117 1.00 71.20 C ATOM 943 OG1 THR A 68 1.324 -10.018 -1.855 1.00 25.45 O ATOM 944 CG2 THR A 68 2.134 -8.602 -3.582 1.00 10.34 C ATOM 0 H THR A 68 1.976 -12.701 -3.210 1.00 61.13 H new ATOM 0 HA THR A 68 0.239 -10.521 -4.297 1.00 71.53 H new ATOM 0 HB THR A 68 2.972 -10.472 -3.067 1.00 71.20 H new ATOM 0 HG1 THR A 68 1.953 -9.708 -1.171 1.00 25.45 H new ATOM 0 HG21 THR A 68 2.685 -8.037 -2.830 1.00 10.34 H new ATOM 0 HG22 THR A 68 2.683 -8.583 -4.524 1.00 10.34 H new ATOM 0 HG23 THR A 68 1.151 -8.153 -3.726 1.00 10.34 H new ATOM 952 N THR A 69 1.695 -10.155 -6.333 1.00 41.02 N ATOM 953 CA THR A 69 2.225 -10.058 -7.688 1.00 54.10 C ATOM 954 C THR A 69 2.836 -8.664 -7.881 1.00 72.52 C ATOM 955 O THR A 69 2.622 -7.775 -7.054 1.00 14.11 O ATOM 956 CB THR A 69 1.095 -10.303 -8.703 1.00 72.23 C ATOM 957 OG1 THR A 69 -0.060 -9.585 -8.325 1.00 45.20 O ATOM 958 CG2 THR A 69 0.720 -11.782 -8.817 1.00 34.25 C ATOM 0 H THR A 69 1.116 -9.348 -6.099 1.00 41.02 H new ATOM 0 HA THR A 69 2.997 -10.811 -7.847 1.00 54.10 H new ATOM 0 HB THR A 69 1.468 -9.964 -9.670 1.00 72.23 H new ATOM 0 HG1 THR A 69 -0.773 -9.746 -8.978 1.00 45.20 H new ATOM 0 HG21 THR A 69 -0.082 -11.899 -9.546 1.00 34.25 H new ATOM 0 HG22 THR A 69 1.590 -12.354 -9.139 1.00 34.25 H new ATOM 0 HG23 THR A 69 0.384 -12.148 -7.847 1.00 34.25 H new ATOM 966 N LEU A 70 3.570 -8.463 -8.978 1.00 51.40 N ATOM 967 CA LEU A 70 4.170 -7.178 -9.330 1.00 63.41 C ATOM 968 C LEU A 70 3.102 -6.105 -9.556 1.00 25.25 C ATOM 969 O LEU A 70 3.326 -4.951 -9.213 1.00 33.25 O ATOM 970 CB LEU A 70 5.059 -7.366 -10.568 1.00 52.44 C ATOM 971 CG LEU A 70 5.854 -6.120 -10.999 1.00 72.34 C ATOM 972 CD1 LEU A 70 6.771 -5.603 -9.890 1.00 3.35 C ATOM 973 CD2 LEU A 70 6.728 -6.484 -12.201 1.00 25.35 C ATOM 0 H LEU A 70 3.766 -9.200 -9.655 1.00 51.40 H new ATOM 0 HA LEU A 70 4.786 -6.828 -8.501 1.00 63.41 H new ATOM 0 HB2 LEU A 70 5.762 -8.176 -10.371 1.00 52.44 H new ATOM 0 HB3 LEU A 70 4.432 -7.683 -11.401 1.00 52.44 H new ATOM 0 HG LEU A 70 5.133 -5.339 -11.241 1.00 72.34 H new ATOM 0 HD11 LEU A 70 7.310 -4.724 -10.244 1.00 3.35 H new ATOM 0 HD12 LEU A 70 6.173 -5.336 -9.018 1.00 3.35 H new ATOM 0 HD13 LEU A 70 7.485 -6.380 -9.616 1.00 3.35 H new ATOM 0 HD21 LEU A 70 7.296 -5.609 -12.516 1.00 25.35 H new ATOM 0 HD22 LEU A 70 7.416 -7.282 -11.922 1.00 25.35 H new ATOM 0 HD23 LEU A 70 6.095 -6.820 -13.022 1.00 25.35 H new ATOM 984 N GLU A 71 1.921 -6.509 -10.027 1.00 30.31 N ATOM 985 CA GLU A 71 0.728 -5.672 -10.181 1.00 62.23 C ATOM 986 C GLU A 71 0.313 -4.978 -8.877 1.00 52.23 C ATOM 987 O GLU A 71 -0.268 -3.894 -8.906 1.00 11.23 O ATOM 988 CB GLU A 71 -0.421 -6.569 -10.661 1.00 52.04 C ATOM 989 CG GLU A 71 -0.405 -6.819 -12.172 1.00 41.00 C ATOM 990 CD GLU A 71 -1.399 -5.927 -12.920 1.00 11.02 C ATOM 991 OE1 GLU A 71 -1.160 -4.707 -13.087 1.00 22.11 O ATOM 992 OE2 GLU A 71 -2.393 -6.464 -13.457 1.00 45.43 O ATOM 0 H GLU A 71 1.762 -7.471 -10.325 1.00 30.31 H new ATOM 0 HA GLU A 71 0.957 -4.885 -10.899 1.00 62.23 H new ATOM 0 HB2 GLU A 71 -0.367 -7.526 -10.141 1.00 52.04 H new ATOM 0 HB3 GLU A 71 -1.370 -6.110 -10.386 1.00 52.04 H new ATOM 0 HG2 GLU A 71 0.599 -6.642 -12.557 1.00 41.00 H new ATOM 0 HG3 GLU A 71 -0.641 -7.865 -12.367 1.00 41.00 H new ATOM 997 N MET A 72 0.592 -5.593 -7.725 1.00 64.31 N ATOM 998 CA MET A 72 0.318 -4.961 -6.444 1.00 3.22 C ATOM 999 C MET A 72 1.289 -3.793 -6.233 1.00 53.24 C ATOM 1000 O MET A 72 0.918 -2.743 -5.715 1.00 21.44 O ATOM 1001 CB MET A 72 0.446 -5.995 -5.311 1.00 73.54 C ATOM 1002 CG MET A 72 -0.771 -6.071 -4.384 1.00 51.22 C ATOM 1003 SD MET A 72 -2.242 -6.959 -4.991 1.00 41.11 S ATOM 1004 CE MET A 72 -1.580 -8.606 -5.318 1.00 70.41 C ATOM 0 H MET A 72 1.005 -6.523 -7.659 1.00 64.31 H new ATOM 0 HA MET A 72 -0.701 -4.573 -6.436 1.00 3.22 H new ATOM 0 HB2 MET A 72 0.615 -6.978 -5.750 1.00 73.54 H new ATOM 0 HB3 MET A 72 1.327 -5.756 -4.715 1.00 73.54 H new ATOM 0 HG2 MET A 72 -0.455 -6.542 -3.453 1.00 51.22 H new ATOM 0 HG3 MET A 72 -1.071 -5.052 -4.140 1.00 51.22 H new ATOM 0 HE1 MET A 72 -1.634 -8.814 -6.387 1.00 70.41 H new ATOM 0 HE2 MET A 72 -0.541 -8.652 -4.991 1.00 70.41 H new ATOM 0 HE3 MET A 72 -2.165 -9.348 -4.774 1.00 70.41 H new ATOM 1012 N ILE A 73 2.553 -4.002 -6.592 1.00 73.34 N ATOM 1013 CA ILE A 73 3.674 -3.122 -6.302 1.00 42.13 C ATOM 1014 C ILE A 73 3.607 -1.896 -7.206 1.00 5.42 C ATOM 1015 O ILE A 73 3.861 -0.791 -6.731 1.00 74.10 O ATOM 1016 CB ILE A 73 4.976 -3.944 -6.475 1.00 5.34 C ATOM 1017 CG1 ILE A 73 4.968 -5.237 -5.618 1.00 2.34 C ATOM 1018 CG2 ILE A 73 6.286 -3.167 -6.261 1.00 43.22 C ATOM 1019 CD1 ILE A 73 4.546 -5.060 -4.149 1.00 12.11 C ATOM 0 H ILE A 73 2.833 -4.830 -7.118 1.00 73.34 H new ATOM 0 HA ILE A 73 3.645 -2.747 -5.279 1.00 42.13 H new ATOM 0 HB ILE A 73 4.968 -4.210 -7.532 1.00 5.34 H new ATOM 0 HG12 ILE A 73 4.296 -5.957 -6.086 1.00 2.34 H new ATOM 0 HG13 ILE A 73 5.967 -5.672 -5.640 1.00 2.34 H new ATOM 0 HG21 ILE A 73 7.134 -3.836 -6.406 1.00 43.22 H new ATOM 0 HG22 ILE A 73 6.344 -2.347 -6.977 1.00 43.22 H new ATOM 0 HG23 ILE A 73 6.310 -2.766 -5.248 1.00 43.22 H new ATOM 0 HD11 ILE A 73 4.576 -6.025 -3.643 1.00 12.11 H new ATOM 0 HD12 ILE A 73 5.230 -4.370 -3.655 1.00 12.11 H new ATOM 0 HD13 ILE A 73 3.533 -4.659 -4.107 1.00 12.11 H new ATOM 1030 N THR A 74 3.251 -2.067 -8.477 1.00 51.24 N ATOM 1031 CA THR A 74 3.024 -0.970 -9.408 1.00 11.45 C ATOM 1032 C THR A 74 1.909 -0.062 -8.883 1.00 10.41 C ATOM 1033 O THR A 74 2.109 1.150 -8.785 1.00 32.22 O ATOM 1034 CB THR A 74 2.739 -1.543 -10.806 1.00 52.21 C ATOM 1035 OG1 THR A 74 1.793 -2.581 -10.728 1.00 31.55 O ATOM 1036 CG2 THR A 74 4.010 -2.119 -11.436 1.00 61.21 C ATOM 0 H THR A 74 3.110 -2.987 -8.893 1.00 51.24 H new ATOM 0 HA THR A 74 3.913 -0.345 -9.493 1.00 11.45 H new ATOM 0 HB THR A 74 2.360 -0.724 -11.417 1.00 52.21 H new ATOM 0 HG1 THR A 74 1.704 -3.009 -11.605 1.00 31.55 H new ATOM 0 HG21 THR A 74 3.778 -2.517 -12.424 1.00 61.21 H new ATOM 0 HG22 THR A 74 4.759 -1.332 -11.528 1.00 61.21 H new ATOM 0 HG23 THR A 74 4.399 -2.918 -10.805 1.00 61.21 H new ATOM 1044 N ALA A 75 0.771 -0.620 -8.453 1.00 50.20 N ATOM 1045 CA ALA A 75 -0.345 0.212 -8.013 1.00 45.20 C ATOM 1046 C ALA A 75 0.017 0.993 -6.745 1.00 1.04 C ATOM 1047 O ALA A 75 -0.186 2.205 -6.672 1.00 33.31 O ATOM 1048 CB ALA A 75 -1.593 -0.644 -7.808 1.00 2.44 C ATOM 0 H ALA A 75 0.604 -1.625 -8.402 1.00 50.20 H new ATOM 0 HA ALA A 75 -0.561 0.944 -8.791 1.00 45.20 H new ATOM 0 HB1 ALA A 75 -2.418 -0.012 -7.480 1.00 2.44 H new ATOM 0 HB2 ALA A 75 -1.859 -1.130 -8.747 1.00 2.44 H new ATOM 0 HB3 ALA A 75 -1.394 -1.402 -7.051 1.00 2.44 H new ATOM 1054 N TRP A 76 0.584 0.315 -5.742 1.00 42.34 N ATOM 1055 CA TRP A 76 0.978 0.957 -4.491 1.00 24.43 C ATOM 1056 C TRP A 76 2.193 1.868 -4.645 1.00 53.00 C ATOM 1057 O TRP A 76 2.491 2.636 -3.728 1.00 61.23 O ATOM 1058 CB TRP A 76 1.228 -0.093 -3.406 1.00 3.43 C ATOM 1059 CG TRP A 76 -0.027 -0.565 -2.754 1.00 53.02 C ATOM 1060 CD1 TRP A 76 -0.689 -1.703 -3.042 1.00 42.42 C ATOM 1061 CD2 TRP A 76 -0.847 0.137 -1.775 1.00 51.24 C ATOM 1062 NE1 TRP A 76 -1.833 -1.769 -2.281 1.00 25.33 N ATOM 1063 CE2 TRP A 76 -1.949 -0.696 -1.424 1.00 5.31 C ATOM 1064 CE3 TRP A 76 -0.784 1.414 -1.176 1.00 62.53 C ATOM 1065 CZ2 TRP A 76 -2.894 -0.309 -0.457 1.00 30.11 C ATOM 1066 CZ3 TRP A 76 -1.751 1.829 -0.241 1.00 73.24 C ATOM 1067 CH2 TRP A 76 -2.793 0.960 0.129 1.00 22.43 C ATOM 0 H TRP A 76 0.780 -0.685 -5.776 1.00 42.34 H new ATOM 0 HA TRP A 76 0.146 1.595 -4.191 1.00 24.43 H new ATOM 0 HB2 TRP A 76 1.746 -0.946 -3.845 1.00 3.43 H new ATOM 0 HB3 TRP A 76 1.890 0.326 -2.648 1.00 3.43 H new ATOM 0 HD1 TRP A 76 -0.371 -2.447 -3.758 1.00 42.42 H new ATOM 0 HE1 TRP A 76 -2.516 -2.524 -2.344 1.00 25.33 H new ATOM 0 HE3 TRP A 76 0.021 2.084 -1.440 1.00 62.53 H new ATOM 0 HZ2 TRP A 76 -3.688 -0.982 -0.169 1.00 30.11 H new ATOM 0 HZ3 TRP A 76 -1.693 2.816 0.193 1.00 73.24 H new ATOM 0 HH2 TRP A 76 -3.517 1.272 0.867 1.00 22.43 H new ATOM 1077 N GLN A 77 2.913 1.805 -5.759 1.00 22.42 N ATOM 1078 CA GLN A 77 3.892 2.807 -6.112 1.00 70.14 C ATOM 1079 C GLN A 77 3.156 4.031 -6.627 1.00 73.31 C ATOM 1080 O GLN A 77 3.233 5.103 -6.022 1.00 1.44 O ATOM 1081 CB GLN A 77 4.837 2.217 -7.155 1.00 50.44 C ATOM 1082 CG GLN A 77 5.918 3.190 -7.614 1.00 1.14 C ATOM 1083 CD GLN A 77 7.013 2.456 -8.367 1.00 32.24 C ATOM 1084 OE1 GLN A 77 7.203 1.253 -8.240 1.00 11.13 O ATOM 1085 NE2 GLN A 77 7.778 3.146 -9.180 1.00 63.51 N ATOM 0 H GLN A 77 2.828 1.051 -6.441 1.00 22.42 H new ATOM 0 HA GLN A 77 4.491 3.109 -5.253 1.00 70.14 H new ATOM 0 HB2 GLN A 77 5.312 1.327 -6.742 1.00 50.44 H new ATOM 0 HB3 GLN A 77 4.257 1.896 -8.020 1.00 50.44 H new ATOM 0 HG2 GLN A 77 5.478 3.955 -8.255 1.00 1.14 H new ATOM 0 HG3 GLN A 77 6.343 3.703 -6.751 1.00 1.14 H new ATOM 0 HE21 GLN A 77 7.628 4.149 -9.293 1.00 63.51 H new ATOM 0 HE22 GLN A 77 8.522 2.680 -9.699 1.00 63.51 H new ATOM 1092 N ASP A 78 2.451 3.863 -7.744 1.00 32.53 N ATOM 1093 CA ASP A 78 1.954 4.964 -8.555 1.00 50.04 C ATOM 1094 C ASP A 78 0.893 5.770 -7.809 1.00 12.24 C ATOM 1095 O ASP A 78 0.771 6.979 -8.026 1.00 13.44 O ATOM 1096 CB ASP A 78 1.392 4.433 -9.880 1.00 70.41 C ATOM 1097 CG ASP A 78 1.787 5.373 -11.016 1.00 32.33 C ATOM 1098 OD1 ASP A 78 2.939 5.297 -11.505 1.00 11.24 O ATOM 1099 OD2 ASP A 78 0.949 6.213 -11.420 1.00 71.34 O ATOM 0 H ASP A 78 2.207 2.944 -8.113 1.00 32.53 H new ATOM 0 HA ASP A 78 2.789 5.632 -8.767 1.00 50.04 H new ATOM 0 HB2 ASP A 78 1.775 3.431 -10.074 1.00 70.41 H new ATOM 0 HB3 ASP A 78 0.307 4.354 -9.821 1.00 70.41 H new ATOM 1103 N PHE A 79 0.182 5.122 -6.874 1.00 11.41 N ATOM 1104 CA PHE A 79 -0.717 5.754 -5.918 1.00 53.13 C ATOM 1105 C PHE A 79 -0.032 6.924 -5.213 1.00 73.30 C ATOM 1106 O PHE A 79 -0.623 7.996 -5.107 1.00 4.45 O ATOM 1107 CB PHE A 79 -1.238 4.721 -4.909 1.00 31.35 C ATOM 1108 CG PHE A 79 -2.150 5.301 -3.837 1.00 30.13 C ATOM 1109 CD1 PHE A 79 -3.520 5.501 -4.095 1.00 74.10 C ATOM 1110 CD2 PHE A 79 -1.631 5.636 -2.572 1.00 13.05 C ATOM 1111 CE1 PHE A 79 -4.364 6.021 -3.094 1.00 2.23 C ATOM 1112 CE2 PHE A 79 -2.472 6.159 -1.572 1.00 71.42 C ATOM 1113 CZ PHE A 79 -3.840 6.345 -1.829 1.00 61.53 C ATOM 0 H PHE A 79 0.224 4.109 -6.765 1.00 11.41 H new ATOM 0 HA PHE A 79 -1.572 6.156 -6.462 1.00 53.13 H new ATOM 0 HB2 PHE A 79 -1.779 3.943 -5.448 1.00 31.35 H new ATOM 0 HB3 PHE A 79 -0.387 4.241 -4.426 1.00 31.35 H new ATOM 0 HD1 PHE A 79 -3.926 5.254 -5.065 1.00 74.10 H new ATOM 0 HD2 PHE A 79 -0.581 5.491 -2.368 1.00 13.05 H new ATOM 0 HE1 PHE A 79 -5.414 6.171 -3.298 1.00 2.23 H new ATOM 0 HE2 PHE A 79 -2.065 6.418 -0.606 1.00 71.42 H new ATOM 0 HZ PHE A 79 -4.488 6.735 -1.058 1.00 61.53 H new ATOM 1122 N TYR A 80 1.199 6.728 -4.734 1.00 44.12 N ATOM 1123 CA TYR A 80 1.931 7.743 -3.990 1.00 25.41 C ATOM 1124 C TYR A 80 2.785 8.624 -4.881 1.00 74.52 C ATOM 1125 O TYR A 80 2.954 9.795 -4.559 1.00 22.23 O ATOM 1126 CB TYR A 80 2.832 7.081 -2.955 1.00 52.10 C ATOM 1127 CG TYR A 80 2.067 6.476 -1.809 1.00 3.12 C ATOM 1128 CD1 TYR A 80 1.278 7.286 -0.974 1.00 63.54 C ATOM 1129 CD2 TYR A 80 2.138 5.095 -1.597 1.00 41.21 C ATOM 1130 CE1 TYR A 80 0.592 6.717 0.107 1.00 53.34 C ATOM 1131 CE2 TYR A 80 1.444 4.509 -0.524 1.00 74.52 C ATOM 1132 CZ TYR A 80 0.679 5.327 0.343 1.00 62.10 C ATOM 1133 OH TYR A 80 0.083 4.797 1.444 1.00 32.24 O ATOM 0 H TYR A 80 1.714 5.856 -4.854 1.00 44.12 H new ATOM 0 HA TYR A 80 1.184 8.374 -3.509 1.00 25.41 H new ATOM 0 HB2 TYR A 80 3.423 6.304 -3.440 1.00 52.10 H new ATOM 0 HB3 TYR A 80 3.533 7.820 -2.567 1.00 52.10 H new ATOM 0 HD1 TYR A 80 1.201 8.346 -1.166 1.00 63.54 H new ATOM 0 HD2 TYR A 80 2.727 4.478 -2.259 1.00 41.21 H new ATOM 0 HE1 TYR A 80 -0.002 7.340 0.759 1.00 53.34 H new ATOM 0 HE2 TYR A 80 1.494 3.442 -0.362 1.00 74.52 H new ATOM 0 HH TYR A 80 0.233 3.829 1.463 1.00 32.24 H new ATOM 1142 N GLU A 81 3.351 8.099 -5.965 1.00 52.03 N ATOM 1143 CA GLU A 81 4.168 8.887 -6.893 1.00 3.23 C ATOM 1144 C GLU A 81 3.436 10.130 -7.418 1.00 71.41 C ATOM 1145 O GLU A 81 4.073 11.172 -7.608 1.00 30.41 O ATOM 1146 CB GLU A 81 4.721 7.969 -8.008 1.00 22.24 C ATOM 1147 CG GLU A 81 5.726 6.957 -7.418 1.00 42.00 C ATOM 1148 CD GLU A 81 7.066 6.824 -8.160 1.00 13.05 C ATOM 1149 OE1 GLU A 81 7.970 7.617 -7.797 1.00 61.20 O ATOM 1150 OE2 GLU A 81 7.264 5.909 -8.994 1.00 73.13 O ATOM 0 H GLU A 81 3.258 7.118 -6.227 1.00 52.03 H new ATOM 0 HA GLU A 81 5.022 9.293 -6.350 1.00 3.23 H new ATOM 0 HB2 GLU A 81 3.901 7.438 -8.492 1.00 22.24 H new ATOM 0 HB3 GLU A 81 5.208 8.570 -8.776 1.00 22.24 H new ATOM 0 HG2 GLU A 81 5.932 7.240 -6.386 1.00 42.00 H new ATOM 0 HG3 GLU A 81 5.250 5.977 -7.391 1.00 42.00 H new ATOM 1155 N GLN A 82 2.106 10.081 -7.537 1.00 43.30 N ATOM 1156 CA GLN A 82 1.318 11.251 -7.910 1.00 30.55 C ATOM 1157 C GLN A 82 1.191 12.262 -6.762 1.00 32.44 C ATOM 1158 O GLN A 82 1.117 13.465 -7.017 1.00 24.11 O ATOM 1159 CB GLN A 82 -0.067 10.813 -8.407 1.00 24.34 C ATOM 1160 CG GLN A 82 -0.078 9.892 -9.638 1.00 53.14 C ATOM 1161 CD GLN A 82 1.197 9.912 -10.483 1.00 42.43 C ATOM 1162 OE1 GLN A 82 1.520 10.911 -11.125 1.00 30.41 O ATOM 1163 NE2 GLN A 82 1.954 8.829 -10.480 1.00 21.42 N ATOM 0 H GLN A 82 1.554 9.238 -7.379 1.00 43.30 H new ATOM 0 HA GLN A 82 1.846 11.760 -8.717 1.00 30.55 H new ATOM 0 HB2 GLN A 82 -0.580 10.303 -7.591 1.00 24.34 H new ATOM 0 HB3 GLN A 82 -0.647 11.706 -8.640 1.00 24.34 H new ATOM 0 HG2 GLN A 82 -0.257 8.870 -9.304 1.00 53.14 H new ATOM 0 HG3 GLN A 82 -0.919 10.172 -10.273 1.00 53.14 H new ATOM 0 HE21 GLN A 82 1.671 8.010 -9.942 1.00 21.42 H new ATOM 0 HE22 GLN A 82 2.822 8.812 -11.016 1.00 21.42 H new ATOM 1170 N GLU A 83 1.219 11.811 -5.504 1.00 23.55 N ATOM 1171 CA GLU A 83 1.017 12.656 -4.335 1.00 13.34 C ATOM 1172 C GLU A 83 2.175 13.628 -4.198 1.00 63.54 C ATOM 1173 O GLU A 83 1.971 14.771 -3.804 1.00 42.40 O ATOM 1174 CB GLU A 83 0.888 11.844 -3.037 1.00 12.11 C ATOM 1175 CG GLU A 83 -0.265 10.841 -3.078 1.00 41.04 C ATOM 1176 CD GLU A 83 -1.629 11.539 -3.178 1.00 72.13 C ATOM 1177 OE1 GLU A 83 -2.152 11.955 -2.122 1.00 52.40 O ATOM 1178 OE2 GLU A 83 -2.207 11.684 -4.278 1.00 32.43 O ATOM 0 H GLU A 83 1.386 10.832 -5.271 1.00 23.55 H new ATOM 0 HA GLU A 83 0.080 13.193 -4.487 1.00 13.34 H new ATOM 0 HB2 GLU A 83 1.821 11.311 -2.853 1.00 12.11 H new ATOM 0 HB3 GLU A 83 0.740 12.526 -2.200 1.00 12.11 H new ATOM 0 HG2 GLU A 83 -0.135 10.174 -3.930 1.00 41.04 H new ATOM 0 HG3 GLU A 83 -0.239 10.222 -2.181 1.00 41.04 H new ATOM 1183 N GLN A 84 3.380 13.194 -4.569 1.00 63.42 N ATOM 1184 CA GLN A 84 4.564 14.030 -4.493 1.00 41.43 C ATOM 1185 C GLN A 84 4.396 15.309 -5.318 1.00 13.45 C ATOM 1186 O GLN A 84 4.946 16.345 -4.965 1.00 53.40 O ATOM 1187 CB GLN A 84 5.797 13.233 -4.957 1.00 41.20 C ATOM 1188 CG GLN A 84 6.531 12.584 -3.784 1.00 45.02 C ATOM 1189 CD GLN A 84 5.671 11.497 -3.168 1.00 1.03 C ATOM 1190 OE1 GLN A 84 5.044 11.680 -2.133 1.00 4.44 O ATOM 1191 NE2 GLN A 84 5.585 10.352 -3.814 1.00 62.53 N ATOM 0 H GLN A 84 3.556 12.256 -4.928 1.00 63.42 H new ATOM 0 HA GLN A 84 4.709 14.330 -3.455 1.00 41.43 H new ATOM 0 HB2 GLN A 84 5.487 12.462 -5.662 1.00 41.20 H new ATOM 0 HB3 GLN A 84 6.479 13.896 -5.490 1.00 41.20 H new ATOM 0 HG2 GLN A 84 7.476 12.161 -4.125 1.00 45.02 H new ATOM 0 HG3 GLN A 84 6.771 13.337 -3.034 1.00 45.02 H new ATOM 0 HE21 GLN A 84 6.113 10.212 -4.676 1.00 62.53 H new ATOM 0 HE22 GLN A 84 4.991 9.606 -3.453 1.00 62.53 H new ATOM 1198 N GLN A 85 3.637 15.240 -6.412 1.00 1.45 N ATOM 1199 CA GLN A 85 3.460 16.358 -7.326 1.00 24.41 C ATOM 1200 C GLN A 85 2.533 17.394 -6.688 1.00 71.22 C ATOM 1201 O GLN A 85 2.880 18.574 -6.594 1.00 64.12 O ATOM 1202 CB GLN A 85 2.930 15.848 -8.673 1.00 33.22 C ATOM 1203 CG GLN A 85 3.755 14.656 -9.185 1.00 65.43 C ATOM 1204 CD GLN A 85 3.428 14.262 -10.616 1.00 64.32 C ATOM 1205 OE1 GLN A 85 4.320 14.180 -11.454 1.00 14.03 O ATOM 1206 NE2 GLN A 85 2.180 13.963 -10.925 1.00 52.33 N ATOM 0 H GLN A 85 3.127 14.400 -6.686 1.00 1.45 H new ATOM 0 HA GLN A 85 4.416 16.846 -7.519 1.00 24.41 H new ATOM 0 HB2 GLN A 85 1.887 15.551 -8.566 1.00 33.22 H new ATOM 0 HB3 GLN A 85 2.959 16.654 -9.406 1.00 33.22 H new ATOM 0 HG2 GLN A 85 4.815 14.902 -9.117 1.00 65.43 H new ATOM 0 HG3 GLN A 85 3.585 13.799 -8.533 1.00 65.43 H new ATOM 0 HE21 GLN A 85 1.448 14.036 -10.218 1.00 52.33 H new ATOM 0 HE22 GLN A 85 1.947 13.659 -11.871 1.00 52.33 H new ATOM 1213 N ARG A 86 1.363 16.959 -6.205 1.00 22.14 N ATOM 1214 CA ARG A 86 0.437 17.847 -5.502 1.00 53.21 C ATOM 1215 C ARG A 86 1.018 18.353 -4.187 1.00 11.22 C ATOM 1216 O ARG A 86 0.659 19.461 -3.785 1.00 70.51 O ATOM 1217 CB ARG A 86 -0.945 17.200 -5.291 1.00 64.23 C ATOM 1218 CG ARG A 86 -0.891 15.854 -4.556 1.00 13.15 C ATOM 1219 CD ARG A 86 -2.260 15.176 -4.415 1.00 71.12 C ATOM 1220 NE ARG A 86 -3.134 15.908 -3.485 1.00 70.23 N ATOM 1221 CZ ARG A 86 -3.259 15.705 -2.168 1.00 64.12 C ATOM 1222 NH1 ARG A 86 -2.723 14.643 -1.565 1.00 43.40 N ATOM 1223 NH2 ARG A 86 -3.913 16.597 -1.434 1.00 31.13 N ATOM 0 H ARG A 86 1.037 15.996 -6.290 1.00 22.14 H new ATOM 0 HA ARG A 86 0.291 18.712 -6.149 1.00 53.21 H new ATOM 0 HB2 ARG A 86 -1.575 17.887 -4.726 1.00 64.23 H new ATOM 0 HB3 ARG A 86 -1.420 17.055 -6.261 1.00 64.23 H new ATOM 0 HG2 ARG A 86 -0.217 15.185 -5.090 1.00 13.15 H new ATOM 0 HG3 ARG A 86 -0.467 16.008 -3.564 1.00 13.15 H new ATOM 0 HD2 ARG A 86 -2.738 15.114 -5.392 1.00 71.12 H new ATOM 0 HD3 ARG A 86 -2.126 14.154 -4.061 1.00 71.12 H new ATOM 0 HE ARG A 86 -3.706 16.650 -3.887 1.00 70.23 H new ATOM 0 HH11 ARG A 86 -2.200 13.957 -2.110 1.00 43.40 H new ATOM 0 HH12 ARG A 86 -2.836 14.517 -0.559 1.00 43.40 H new ATOM 0 HH21 ARG A 86 -4.313 17.425 -1.875 1.00 31.13 H new ATOM 0 HH22 ARG A 86 -4.015 16.454 -0.429 1.00 31.13 H new ATOM 1234 N ASN A 87 1.871 17.586 -3.501 1.00 43.20 N ATOM 1235 CA ASN A 87 2.504 17.999 -2.264 1.00 22.54 C ATOM 1236 C ASN A 87 3.837 17.282 -2.039 1.00 54.30 C ATOM 1237 O ASN A 87 3.867 16.159 -1.529 1.00 45.31 O ATOM 1238 CB ASN A 87 1.576 17.841 -1.044 1.00 23.21 C ATOM 1239 CG ASN A 87 0.678 16.615 -1.018 1.00 33.35 C ATOM 1240 OD1 ASN A 87 -0.539 16.762 -0.961 1.00 24.12 O ATOM 1241 ND2 ASN A 87 1.212 15.411 -1.038 1.00 5.42 N ATOM 0 H ASN A 87 2.139 16.649 -3.801 1.00 43.20 H new ATOM 0 HA ASN A 87 2.713 19.064 -2.370 1.00 22.54 H new ATOM 0 HB2 ASN A 87 2.195 17.828 -0.147 1.00 23.21 H new ATOM 0 HB3 ASN A 87 0.943 18.726 -0.982 1.00 23.21 H new ATOM 0 HD21 ASN A 87 0.612 14.587 -1.006 1.00 5.42 H new ATOM 0 HD22 ASN A 87 2.225 15.303 -1.086 1.00 5.42 H new ATOM 1247 N GLU A 88 4.946 17.979 -2.297 1.00 25.55 N ATOM 1248 CA GLU A 88 6.308 17.526 -1.982 1.00 43.10 C ATOM 1249 C GLU A 88 6.493 17.273 -0.481 1.00 74.22 C ATOM 1250 O GLU A 88 7.430 16.598 -0.035 1.00 14.34 O ATOM 1251 CB GLU A 88 7.322 18.620 -2.373 1.00 70.33 C ATOM 1252 CG GLU A 88 7.316 19.041 -3.849 1.00 2.41 C ATOM 1253 CD GLU A 88 7.852 17.977 -4.802 1.00 23.42 C ATOM 1254 OE1 GLU A 88 8.063 16.815 -4.385 1.00 74.10 O ATOM 1255 OE2 GLU A 88 8.151 18.309 -5.970 1.00 71.51 O ATOM 0 H GLU A 88 4.924 18.897 -2.742 1.00 25.55 H new ATOM 0 HA GLU A 88 6.469 16.601 -2.536 1.00 43.10 H new ATOM 0 HB2 GLU A 88 7.129 19.502 -1.763 1.00 70.33 H new ATOM 0 HB3 GLU A 88 8.322 18.269 -2.119 1.00 70.33 H new ATOM 0 HG2 GLU A 88 6.296 19.293 -4.140 1.00 2.41 H new ATOM 0 HG3 GLU A 88 7.912 19.947 -3.960 1.00 2.41 H new ATOM 1260 N ASN A 89 5.626 17.876 0.332 1.00 5.31 N ATOM 1261 CA ASN A 89 5.748 17.919 1.776 1.00 22.42 C ATOM 1262 C ASN A 89 5.431 16.590 2.476 1.00 43.42 C ATOM 1263 O ASN A 89 5.535 16.543 3.702 1.00 72.43 O ATOM 1264 CB ASN A 89 4.969 19.119 2.339 1.00 4.02 C ATOM 1265 CG ASN A 89 5.906 20.311 2.472 1.00 65.23 C ATOM 1266 OD1 ASN A 89 6.690 20.377 3.414 1.00 45.31 O ATOM 1267 ND2 ASN A 89 5.950 21.207 1.497 1.00 4.43 N ATOM 0 H ASN A 89 4.797 18.360 -0.013 1.00 5.31 H new ATOM 0 HA ASN A 89 6.803 18.071 2.006 1.00 22.42 H new ATOM 0 HB2 ASN A 89 4.137 19.368 1.681 1.00 4.02 H new ATOM 0 HB3 ASN A 89 4.543 18.867 3.310 1.00 4.02 H new ATOM 0 HD21 ASN A 89 6.639 21.959 1.526 1.00 4.43 H new ATOM 0 HD22 ASN A 89 5.295 21.145 0.718 1.00 4.43 H new ATOM 1273 N ASN A 90 5.122 15.504 1.754 1.00 43.23 N ATOM 1274 CA ASN A 90 4.727 14.207 2.322 1.00 53.32 C ATOM 1275 C ASN A 90 5.800 13.125 2.154 1.00 33.15 C ATOM 1276 O ASN A 90 5.742 12.326 1.217 1.00 12.44 O ATOM 1277 CB ASN A 90 3.394 13.747 1.715 1.00 31.35 C ATOM 1278 CG ASN A 90 2.234 14.387 2.440 1.00 24.42 C ATOM 1279 OD1 ASN A 90 1.788 15.472 2.084 1.00 33.14 O ATOM 1280 ND2 ASN A 90 1.741 13.747 3.484 1.00 41.42 N ATOM 0 H ASN A 90 5.140 15.503 0.734 1.00 43.23 H new ATOM 0 HA ASN A 90 4.606 14.355 3.395 1.00 53.32 H new ATOM 0 HB2 ASN A 90 3.359 14.010 0.658 1.00 31.35 H new ATOM 0 HB3 ASN A 90 3.315 12.662 1.777 1.00 31.35 H new ATOM 0 HD21 ASN A 90 0.971 14.154 4.015 1.00 41.42 H new ATOM 0 HD22 ASN A 90 2.130 12.845 3.760 1.00 41.42 H new ATOM 1286 N PRO A 91 6.778 13.030 3.069 1.00 64.24 N ATOM 1287 CA PRO A 91 7.818 12.018 2.980 1.00 33.15 C ATOM 1288 C PRO A 91 7.258 10.606 3.192 1.00 3.43 C ATOM 1289 O PRO A 91 7.835 9.660 2.657 1.00 70.50 O ATOM 1290 CB PRO A 91 8.846 12.394 4.050 1.00 51.44 C ATOM 1291 CG PRO A 91 8.003 13.123 5.091 1.00 44.44 C ATOM 1292 CD PRO A 91 6.949 13.834 4.262 1.00 25.51 C ATOM 0 HA PRO A 91 8.269 11.995 1.988 1.00 33.15 H new ATOM 0 HB2 PRO A 91 9.333 11.514 4.469 1.00 51.44 H new ATOM 0 HB3 PRO A 91 9.633 13.033 3.648 1.00 51.44 H new ATOM 0 HG2 PRO A 91 7.554 12.429 5.801 1.00 44.44 H new ATOM 0 HG3 PRO A 91 8.601 13.827 5.669 1.00 44.44 H new ATOM 0 HD2 PRO A 91 6.012 13.922 4.812 1.00 25.51 H new ATOM 0 HD3 PRO A 91 7.267 14.846 4.010 1.00 25.51 H new ATOM 1297 N THR A 92 6.154 10.438 3.936 1.00 63.32 N ATOM 1298 CA THR A 92 5.572 9.121 4.177 1.00 44.33 C ATOM 1299 C THR A 92 5.191 8.461 2.854 1.00 45.00 C ATOM 1300 O THR A 92 5.525 7.294 2.651 1.00 22.33 O ATOM 1301 CB THR A 92 4.374 9.223 5.134 1.00 10.25 C ATOM 1302 OG1 THR A 92 4.777 9.858 6.332 1.00 11.35 O ATOM 1303 CG2 THR A 92 3.839 7.829 5.479 1.00 12.44 C ATOM 0 H THR A 92 5.649 11.205 4.380 1.00 63.32 H new ATOM 0 HA THR A 92 6.316 8.488 4.660 1.00 44.33 H new ATOM 0 HB THR A 92 3.591 9.800 4.642 1.00 10.25 H new ATOM 0 HG1 THR A 92 4.012 9.924 6.941 1.00 11.35 H new ATOM 0 HG21 THR A 92 2.991 7.922 6.158 1.00 12.44 H new ATOM 0 HG22 THR A 92 3.520 7.326 4.566 1.00 12.44 H new ATOM 0 HG23 THR A 92 4.625 7.246 5.959 1.00 12.44 H new ATOM 1311 N ALA A 93 4.527 9.212 1.970 1.00 12.04 N ATOM 1312 CA ALA A 93 4.188 8.809 0.615 1.00 51.30 C ATOM 1313 C ALA A 93 5.471 8.595 -0.194 1.00 42.21 C ATOM 1314 O ALA A 93 5.671 7.534 -0.786 1.00 65.23 O ATOM 1315 CB ALA A 93 3.301 9.903 0.002 1.00 33.33 C ATOM 0 H ALA A 93 4.201 10.152 2.194 1.00 12.04 H new ATOM 0 HA ALA A 93 3.641 7.866 0.610 1.00 51.30 H new ATOM 0 HB1 ALA A 93 3.032 9.625 -1.017 1.00 33.33 H new ATOM 0 HB2 ALA A 93 2.396 10.014 0.599 1.00 33.33 H new ATOM 0 HB3 ALA A 93 3.845 10.847 -0.012 1.00 33.33 H new ATOM 1321 N LYS A 94 6.357 9.594 -0.189 1.00 61.30 N ATOM 1322 CA LYS A 94 7.563 9.638 -1.005 1.00 65.54 C ATOM 1323 C LYS A 94 8.410 8.379 -0.866 1.00 21.54 C ATOM 1324 O LYS A 94 8.618 7.679 -1.864 1.00 11.03 O ATOM 1325 CB LYS A 94 8.317 10.935 -0.683 1.00 10.31 C ATOM 1326 CG LYS A 94 9.351 11.299 -1.752 1.00 63.44 C ATOM 1327 CD LYS A 94 9.671 12.795 -1.742 1.00 31.12 C ATOM 1328 CE LYS A 94 10.238 13.264 -0.401 1.00 10.13 C ATOM 1329 NZ LYS A 94 10.727 14.655 -0.471 1.00 74.43 N ATOM 0 H LYS A 94 6.247 10.418 0.403 1.00 61.30 H new ATOM 0 HA LYS A 94 7.294 9.652 -2.061 1.00 65.54 H new ATOM 0 HB2 LYS A 94 7.601 11.751 -0.583 1.00 10.31 H new ATOM 0 HB3 LYS A 94 8.817 10.830 0.280 1.00 10.31 H new ATOM 0 HG2 LYS A 94 10.265 10.730 -1.583 1.00 63.44 H new ATOM 0 HG3 LYS A 94 8.975 11.014 -2.734 1.00 63.44 H new ATOM 0 HD2 LYS A 94 10.388 13.015 -2.533 1.00 31.12 H new ATOM 0 HD3 LYS A 94 8.765 13.358 -1.967 1.00 31.12 H new ATOM 0 HE2 LYS A 94 9.468 13.187 0.366 1.00 10.13 H new ATOM 0 HE3 LYS A 94 11.054 12.606 -0.101 1.00 10.13 H new ATOM 0 HZ1 LYS A 94 11.104 14.938 0.456 1.00 74.43 H new ATOM 0 HZ2 LYS A 94 11.479 14.723 -1.186 1.00 74.43 H new ATOM 0 HZ3 LYS A 94 9.943 15.286 -0.733 1.00 74.43 H new ATOM 1339 N TYR A 95 8.871 8.075 0.350 1.00 33.32 N ATOM 1340 CA TYR A 95 9.770 6.953 0.582 1.00 53.10 C ATOM 1341 C TYR A 95 9.124 5.633 0.160 1.00 54.10 C ATOM 1342 O TYR A 95 9.788 4.818 -0.483 1.00 4.44 O ATOM 1343 CB TYR A 95 10.207 6.900 2.055 1.00 12.02 C ATOM 1344 CG TYR A 95 11.215 7.959 2.473 1.00 61.41 C ATOM 1345 CD1 TYR A 95 12.540 7.903 1.996 1.00 73.44 C ATOM 1346 CD2 TYR A 95 10.866 8.946 3.411 1.00 42.21 C ATOM 1347 CE1 TYR A 95 13.495 8.849 2.412 1.00 51.03 C ATOM 1348 CE2 TYR A 95 11.810 9.898 3.833 1.00 54.13 C ATOM 1349 CZ TYR A 95 13.124 9.866 3.323 1.00 64.23 C ATOM 1350 OH TYR A 95 14.030 10.773 3.782 1.00 22.41 O ATOM 0 H TYR A 95 8.631 8.598 1.192 1.00 33.32 H new ATOM 0 HA TYR A 95 10.658 7.103 -0.032 1.00 53.10 H new ATOM 0 HB2 TYR A 95 9.321 6.997 2.683 1.00 12.02 H new ATOM 0 HB3 TYR A 95 10.634 5.917 2.255 1.00 12.02 H new ATOM 0 HD1 TYR A 95 12.826 7.125 1.303 1.00 73.44 H new ATOM 0 HD2 TYR A 95 9.863 8.973 3.811 1.00 42.21 H new ATOM 0 HE1 TYR A 95 14.507 8.799 2.038 1.00 51.03 H new ATOM 0 HE2 TYR A 95 11.528 10.656 4.549 1.00 54.13 H new ATOM 0 HH TYR A 95 13.588 11.394 4.398 1.00 22.41 H new ATOM 1359 N ARG A 96 7.854 5.378 0.507 1.00 31.34 N ATOM 1360 CA ARG A 96 7.242 4.092 0.180 1.00 61.31 C ATOM 1361 C ARG A 96 6.989 3.903 -1.314 1.00 70.12 C ATOM 1362 O ARG A 96 7.126 2.775 -1.793 1.00 24.15 O ATOM 1363 CB ARG A 96 6.009 3.817 1.027 1.00 33.43 C ATOM 1364 CG ARG A 96 4.833 4.756 0.784 1.00 53.34 C ATOM 1365 CD ARG A 96 3.707 4.501 1.782 1.00 5.04 C ATOM 1366 NE ARG A 96 4.136 4.661 3.181 1.00 73.52 N ATOM 1367 CZ ARG A 96 3.602 4.044 4.243 1.00 21.31 C ATOM 1368 NH1 ARG A 96 2.570 3.211 4.126 1.00 12.23 N ATOM 1369 NH2 ARG A 96 4.107 4.263 5.451 1.00 43.04 N ATOM 0 H ARG A 96 7.247 6.031 1.002 1.00 31.34 H new ATOM 0 HA ARG A 96 7.978 3.332 0.441 1.00 61.31 H new ATOM 0 HB2 ARG A 96 5.681 2.794 0.842 1.00 33.43 H new ATOM 0 HB3 ARG A 96 6.289 3.876 2.079 1.00 33.43 H new ATOM 0 HG2 ARG A 96 5.167 5.790 0.866 1.00 53.34 H new ATOM 0 HG3 ARG A 96 4.460 4.621 -0.231 1.00 53.34 H new ATOM 0 HD2 ARG A 96 2.885 5.187 1.578 1.00 5.04 H new ATOM 0 HD3 ARG A 96 3.322 3.491 1.638 1.00 5.04 H new ATOM 0 HE ARG A 96 4.911 5.300 3.358 1.00 73.52 H new ATOM 0 HH11 ARG A 96 2.164 3.028 3.208 1.00 12.23 H new ATOM 0 HH12 ARG A 96 2.185 2.756 4.954 1.00 12.23 H new ATOM 0 HH21 ARG A 96 4.897 4.898 5.566 1.00 43.04 H new ATOM 0 HH22 ARG A 96 3.705 3.796 6.264 1.00 43.04 H new ATOM 1380 N ALA A 97 6.688 4.963 -2.070 1.00 34.32 N ATOM 1381 CA ALA A 97 6.602 4.877 -3.515 1.00 34.44 C ATOM 1382 C ALA A 97 7.956 4.437 -4.081 1.00 31.52 C ATOM 1383 O ALA A 97 8.051 3.451 -4.810 1.00 3.13 O ATOM 1384 CB ALA A 97 6.159 6.232 -4.063 1.00 25.14 C ATOM 0 H ALA A 97 6.500 5.892 -1.694 1.00 34.32 H new ATOM 0 HA ALA A 97 5.865 4.133 -3.818 1.00 34.44 H new ATOM 0 HB1 ALA A 97 6.091 6.180 -5.150 1.00 25.14 H new ATOM 0 HB2 ALA A 97 5.184 6.490 -3.650 1.00 25.14 H new ATOM 0 HB3 ALA A 97 6.886 6.994 -3.781 1.00 25.14 H new ATOM 1390 N ARG A 98 9.029 5.127 -3.686 1.00 2.15 N ATOM 1391 CA ARG A 98 10.385 4.797 -4.112 1.00 61.53 C ATOM 1392 C ARG A 98 10.777 3.369 -3.735 1.00 61.42 C ATOM 1393 O ARG A 98 11.460 2.692 -4.502 1.00 41.33 O ATOM 1394 CB ARG A 98 11.360 5.828 -3.521 1.00 3.34 C ATOM 1395 CG ARG A 98 11.758 6.866 -4.568 1.00 50.33 C ATOM 1396 CD ARG A 98 12.435 8.080 -3.928 1.00 61.30 C ATOM 1397 NE ARG A 98 12.850 9.005 -4.987 1.00 64.21 N ATOM 1398 CZ ARG A 98 14.054 9.123 -5.546 1.00 64.20 C ATOM 1399 NH1 ARG A 98 15.107 8.492 -5.035 1.00 13.31 N ATOM 1400 NH2 ARG A 98 14.189 9.868 -6.632 1.00 64.44 N ATOM 0 H ARG A 98 8.978 5.931 -3.061 1.00 2.15 H new ATOM 0 HA ARG A 98 10.430 4.841 -5.200 1.00 61.53 H new ATOM 0 HB2 ARG A 98 10.897 6.325 -2.668 1.00 3.34 H new ATOM 0 HB3 ARG A 98 12.250 5.321 -3.149 1.00 3.34 H new ATOM 0 HG2 ARG A 98 12.434 6.412 -5.293 1.00 50.33 H new ATOM 0 HG3 ARG A 98 10.873 7.189 -5.116 1.00 50.33 H new ATOM 0 HD2 ARG A 98 11.749 8.576 -3.242 1.00 61.30 H new ATOM 0 HD3 ARG A 98 13.299 7.765 -3.343 1.00 61.30 H new ATOM 0 HE ARG A 98 12.129 9.635 -5.339 1.00 64.21 H new ATOM 0 HH11 ARG A 98 14.999 7.909 -4.205 1.00 13.31 H new ATOM 0 HH12 ARG A 98 16.023 8.591 -5.473 1.00 13.31 H new ATOM 0 HH21 ARG A 98 13.378 10.342 -7.029 1.00 64.44 H new ATOM 0 HH22 ARG A 98 15.104 9.968 -7.071 1.00 64.44 H new ATOM 1411 N LEU A 99 10.372 2.903 -2.553 1.00 14.34 N ATOM 1412 CA LEU A 99 10.629 1.548 -2.075 1.00 24.23 C ATOM 1413 C LEU A 99 10.002 0.526 -3.021 1.00 32.35 C ATOM 1414 O LEU A 99 10.700 -0.368 -3.492 1.00 14.21 O ATOM 1415 CB LEU A 99 10.127 1.436 -0.630 1.00 22.14 C ATOM 1416 CG LEU A 99 10.129 0.029 -0.014 1.00 34.55 C ATOM 1417 CD1 LEU A 99 11.436 -0.729 -0.193 1.00 5.02 C ATOM 1418 CD2 LEU A 99 9.890 0.188 1.488 1.00 34.21 C ATOM 0 H LEU A 99 9.845 3.470 -1.889 1.00 14.34 H new ATOM 0 HA LEU A 99 11.697 1.330 -2.069 1.00 24.23 H new ATOM 0 HB2 LEU A 99 10.740 2.084 -0.004 1.00 22.14 H new ATOM 0 HB3 LEU A 99 9.109 1.825 -0.591 1.00 22.14 H new ATOM 0 HG LEU A 99 9.356 -0.546 -0.525 1.00 34.55 H new ATOM 0 HD11 LEU A 99 11.353 -1.712 0.270 1.00 5.02 H new ATOM 0 HD12 LEU A 99 11.646 -0.846 -1.256 1.00 5.02 H new ATOM 0 HD13 LEU A 99 12.247 -0.173 0.278 1.00 5.02 H new ATOM 0 HD21 LEU A 99 9.885 -0.794 1.962 1.00 34.21 H new ATOM 0 HD22 LEU A 99 10.685 0.795 1.921 1.00 34.21 H new ATOM 0 HD23 LEU A 99 8.930 0.676 1.654 1.00 34.21 H new ATOM 1429 N MET A 100 8.721 0.690 -3.352 1.00 54.12 N ATOM 1430 CA MET A 100 8.051 -0.140 -4.354 1.00 5.11 C ATOM 1431 C MET A 100 8.851 -0.179 -5.666 1.00 73.52 C ATOM 1432 O MET A 100 9.028 -1.254 -6.232 1.00 63.40 O ATOM 1433 CB MET A 100 6.629 0.350 -4.632 1.00 63.30 C ATOM 1434 CG MET A 100 5.682 0.097 -3.466 1.00 32.41 C ATOM 1435 SD MET A 100 5.455 -1.653 -3.090 1.00 34.53 S ATOM 1436 CE MET A 100 4.472 -1.489 -1.607 1.00 65.42 C ATOM 0 H MET A 100 8.120 1.400 -2.934 1.00 54.12 H new ATOM 0 HA MET A 100 7.994 -1.148 -3.944 1.00 5.11 H new ATOM 0 HB2 MET A 100 6.653 1.418 -4.850 1.00 63.30 H new ATOM 0 HB3 MET A 100 6.245 -0.149 -5.522 1.00 63.30 H new ATOM 0 HG2 MET A 100 6.065 0.604 -2.580 1.00 32.41 H new ATOM 0 HG3 MET A 100 4.712 0.541 -3.693 1.00 32.41 H new ATOM 0 HE1 MET A 100 4.304 -2.474 -1.171 1.00 65.42 H new ATOM 0 HE2 MET A 100 4.998 -0.860 -0.889 1.00 65.42 H new ATOM 0 HE3 MET A 100 3.513 -1.033 -1.854 1.00 65.42 H new ATOM 1444 N LYS A 101 9.399 0.959 -6.117 1.00 63.54 N ATOM 1445 CA LYS A 101 10.194 1.024 -7.351 1.00 33.43 C ATOM 1446 C LYS A 101 11.376 0.064 -7.312 1.00 52.10 C ATOM 1447 O LYS A 101 11.624 -0.658 -8.269 1.00 51.40 O ATOM 1448 CB LYS A 101 10.634 2.476 -7.635 1.00 30.54 C ATOM 1449 CG LYS A 101 11.063 2.658 -9.102 1.00 21.54 C ATOM 1450 CD LYS A 101 10.766 4.056 -9.676 1.00 70.42 C ATOM 1451 CE LYS A 101 11.990 4.940 -9.918 1.00 24.55 C ATOM 1452 NZ LYS A 101 11.584 6.208 -10.560 1.00 4.35 N ATOM 0 H LYS A 101 9.304 1.855 -5.639 1.00 63.54 H new ATOM 0 HA LYS A 101 9.563 0.701 -8.179 1.00 33.43 H new ATOM 0 HB2 LYS A 101 9.814 3.157 -7.407 1.00 30.54 H new ATOM 0 HB3 LYS A 101 11.461 2.742 -6.977 1.00 30.54 H new ATOM 0 HG2 LYS A 101 12.132 2.464 -9.183 1.00 21.54 H new ATOM 0 HG3 LYS A 101 10.556 1.911 -9.713 1.00 21.54 H new ATOM 0 HD2 LYS A 101 10.233 3.937 -10.619 1.00 70.42 H new ATOM 0 HD3 LYS A 101 10.094 4.575 -8.993 1.00 70.42 H new ATOM 0 HE2 LYS A 101 12.491 5.147 -8.972 1.00 24.55 H new ATOM 0 HE3 LYS A 101 12.707 4.416 -10.551 1.00 24.55 H new ATOM 0 HZ1 LYS A 101 12.424 6.801 -10.720 1.00 4.35 H new ATOM 0 HZ2 LYS A 101 11.125 6.005 -11.471 1.00 4.35 H new ATOM 0 HZ3 LYS A 101 10.917 6.712 -9.942 1.00 4.35 H new ATOM 1462 N LYS A 102 12.096 0.036 -6.193 1.00 64.50 N ATOM 1463 CA LYS A 102 13.200 -0.898 -5.996 1.00 43.43 C ATOM 1464 C LYS A 102 12.740 -2.347 -5.970 1.00 1.03 C ATOM 1465 O LYS A 102 13.434 -3.196 -6.514 1.00 52.10 O ATOM 1466 CB LYS A 102 13.959 -0.547 -4.711 1.00 12.12 C ATOM 1467 CG LYS A 102 15.060 0.489 -4.977 1.00 1.45 C ATOM 1468 CD LYS A 102 16.439 0.069 -4.455 1.00 21.32 C ATOM 1469 CE LYS A 102 16.902 -1.131 -5.279 1.00 14.32 C ATOM 1470 NZ LYS A 102 18.310 -1.478 -5.041 1.00 4.43 N ATOM 0 H LYS A 102 11.931 0.657 -5.401 1.00 64.50 H new ATOM 0 HA LYS A 102 13.869 -0.798 -6.851 1.00 43.43 H new ATOM 0 HB2 LYS A 102 13.262 -0.157 -3.970 1.00 12.12 H new ATOM 0 HB3 LYS A 102 14.401 -1.450 -4.289 1.00 12.12 H new ATOM 0 HG2 LYS A 102 15.126 0.668 -6.050 1.00 1.45 H new ATOM 0 HG3 LYS A 102 14.778 1.434 -4.513 1.00 1.45 H new ATOM 0 HD2 LYS A 102 17.149 0.891 -4.545 1.00 21.32 H new ATOM 0 HD3 LYS A 102 16.385 -0.191 -3.398 1.00 21.32 H new ATOM 0 HE2 LYS A 102 16.276 -1.991 -5.042 1.00 14.32 H new ATOM 0 HE3 LYS A 102 16.760 -0.915 -6.338 1.00 14.32 H new ATOM 0 HZ1 LYS A 102 18.465 -2.479 -5.276 1.00 4.43 H new ATOM 0 HZ2 LYS A 102 18.920 -0.884 -5.638 1.00 4.43 H new ATOM 0 HZ3 LYS A 102 18.543 -1.317 -4.040 1.00 4.43 H new ATOM 1480 N ILE A 103 11.606 -2.651 -5.348 1.00 51.01 N ATOM 1481 CA ILE A 103 11.048 -4.000 -5.366 1.00 4.01 C ATOM 1482 C ILE A 103 10.818 -4.418 -6.825 1.00 44.11 C ATOM 1483 O ILE A 103 11.241 -5.497 -7.237 1.00 10.34 O ATOM 1484 CB ILE A 103 9.790 -4.026 -4.468 1.00 24.24 C ATOM 1485 CG1 ILE A 103 10.239 -3.924 -2.991 1.00 52.10 C ATOM 1486 CG2 ILE A 103 8.933 -5.278 -4.687 1.00 44.33 C ATOM 1487 CD1 ILE A 103 9.117 -3.554 -2.019 1.00 42.11 C ATOM 0 H ILE A 103 11.051 -1.976 -4.821 1.00 51.01 H new ATOM 0 HA ILE A 103 11.728 -4.742 -4.948 1.00 4.01 H new ATOM 0 HB ILE A 103 9.160 -3.177 -4.735 1.00 24.24 H new ATOM 0 HG12 ILE A 103 10.668 -4.879 -2.687 1.00 52.10 H new ATOM 0 HG13 ILE A 103 11.031 -3.179 -2.914 1.00 52.10 H new ATOM 0 HG21 ILE A 103 8.063 -5.243 -4.031 1.00 44.33 H new ATOM 0 HG22 ILE A 103 8.603 -5.316 -5.725 1.00 44.33 H new ATOM 0 HG23 ILE A 103 9.523 -6.167 -4.461 1.00 44.33 H new ATOM 0 HD11 ILE A 103 9.515 -3.503 -1.006 1.00 42.11 H new ATOM 0 HD12 ILE A 103 8.702 -2.585 -2.295 1.00 42.11 H new ATOM 0 HD13 ILE A 103 8.333 -4.310 -2.063 1.00 42.11 H new ATOM 1498 N ALA A 104 10.214 -3.539 -7.620 1.00 10.33 N ATOM 1499 CA ALA A 104 9.894 -3.740 -9.024 1.00 10.12 C ATOM 1500 C ALA A 104 11.098 -3.671 -9.972 1.00 70.40 C ATOM 1501 O ALA A 104 10.909 -3.693 -11.190 1.00 73.24 O ATOM 1502 CB ALA A 104 8.901 -2.649 -9.410 1.00 13.13 C ATOM 0 H ALA A 104 9.921 -2.622 -7.282 1.00 10.33 H new ATOM 0 HA ALA A 104 9.497 -4.749 -9.130 1.00 10.12 H new ATOM 0 HB1 ALA A 104 8.630 -2.759 -10.460 1.00 13.13 H new ATOM 0 HB2 ALA A 104 8.007 -2.736 -8.793 1.00 13.13 H new ATOM 0 HB3 ALA A 104 9.356 -1.671 -9.253 1.00 13.13 H new ATOM 1508 N ASP A 105 12.315 -3.541 -9.449 1.00 31.12 N ATOM 1509 CA ASP A 105 13.575 -3.583 -10.207 1.00 71.30 C ATOM 1510 C ASP A 105 14.233 -4.961 -10.068 1.00 50.02 C ATOM 1511 O ASP A 105 15.149 -5.304 -10.812 1.00 64.54 O ATOM 1512 CB ASP A 105 14.495 -2.467 -9.685 1.00 5.43 C ATOM 1513 CG ASP A 105 15.847 -2.358 -10.405 1.00 24.15 C ATOM 1514 OD1 ASP A 105 16.829 -3.031 -10.007 1.00 64.23 O ATOM 1515 OD2 ASP A 105 15.990 -1.491 -11.300 1.00 50.22 O ATOM 0 H ASP A 105 12.462 -3.398 -8.450 1.00 31.12 H new ATOM 0 HA ASP A 105 13.383 -3.421 -11.268 1.00 71.30 H new ATOM 0 HB2 ASP A 105 13.974 -1.514 -9.775 1.00 5.43 H new ATOM 0 HB3 ASP A 105 14.677 -2.632 -8.623 1.00 5.43 H new ATOM 1519 N LEU A 106 13.747 -5.764 -9.118 1.00 52.13 N ATOM 1520 CA LEU A 106 14.364 -6.996 -8.643 1.00 13.33 C ATOM 1521 C LEU A 106 13.418 -8.201 -8.782 1.00 45.30 C ATOM 1522 O LEU A 106 13.672 -9.247 -8.179 1.00 21.41 O ATOM 1523 CB LEU A 106 14.788 -6.779 -7.175 1.00 2.44 C ATOM 1524 CG LEU A 106 15.817 -5.662 -6.901 1.00 12.15 C ATOM 1525 CD1 LEU A 106 15.813 -5.281 -5.413 1.00 50.42 C ATOM 1526 CD2 LEU A 106 17.236 -6.098 -7.276 1.00 11.14 C ATOM 0 H LEU A 106 12.870 -5.559 -8.639 1.00 52.13 H new ATOM 0 HA LEU A 106 15.236 -7.227 -9.254 1.00 13.33 H new ATOM 0 HB2 LEU A 106 13.892 -6.565 -6.592 1.00 2.44 H new ATOM 0 HB3 LEU A 106 15.197 -7.716 -6.798 1.00 2.44 H new ATOM 0 HG LEU A 106 15.528 -4.808 -7.514 1.00 12.15 H new ATOM 0 HD11 LEU A 106 16.544 -4.492 -5.237 1.00 50.42 H new ATOM 0 HD12 LEU A 106 14.822 -4.926 -5.131 1.00 50.42 H new ATOM 0 HD13 LEU A 106 16.070 -6.154 -4.813 1.00 50.42 H new ATOM 0 HD21 LEU A 106 17.933 -5.286 -7.069 1.00 11.14 H new ATOM 0 HD22 LEU A 106 17.515 -6.973 -6.689 1.00 11.14 H new ATOM 0 HD23 LEU A 106 17.272 -6.346 -8.337 1.00 11.14 H new ATOM 1537 N TRP A 107 12.307 -8.036 -9.508 1.00 52.01 N ATOM 1538 CA TRP A 107 11.164 -8.930 -9.438 1.00 53.12 C ATOM 1539 C TRP A 107 11.367 -10.217 -10.235 1.00 50.12 C ATOM 1540 O TRP A 107 11.603 -11.278 -9.619 1.00 14.21 O ATOM 1541 CB TRP A 107 9.883 -8.191 -9.852 1.00 24.42 C ATOM 1542 CG TRP A 107 8.635 -8.918 -9.458 1.00 64.34 C ATOM 1543 CD1 TRP A 107 7.948 -9.793 -10.225 1.00 45.11 C ATOM 1544 CD2 TRP A 107 7.912 -8.845 -8.197 1.00 34.44 C ATOM 1545 NE1 TRP A 107 6.882 -10.298 -9.513 1.00 70.31 N ATOM 1546 CE2 TRP A 107 6.806 -9.742 -8.260 1.00 30.14 C ATOM 1547 CE3 TRP A 107 8.073 -8.102 -7.010 1.00 65.53 C ATOM 1548 CZ2 TRP A 107 5.904 -9.903 -7.205 1.00 24.42 C ATOM 1549 CZ3 TRP A 107 7.184 -8.271 -5.930 1.00 44.22 C ATOM 1550 CH2 TRP A 107 6.106 -9.170 -6.030 1.00 5.15 C ATOM 0 H TRP A 107 12.183 -7.267 -10.166 1.00 52.01 H new ATOM 0 HA TRP A 107 11.058 -9.244 -8.400 1.00 53.12 H new ATOM 0 HB2 TRP A 107 9.879 -7.200 -9.397 1.00 24.42 H new ATOM 0 HB3 TRP A 107 9.887 -8.046 -10.932 1.00 24.42 H new ATOM 0 HD1 TRP A 107 8.197 -10.057 -11.242 1.00 45.11 H new ATOM 0 HE1 TRP A 107 6.231 -10.997 -9.872 1.00 70.31 H new ATOM 0 HE3 TRP A 107 8.886 -7.396 -6.928 1.00 65.53 H new ATOM 0 HZ2 TRP A 107 5.067 -10.580 -7.295 1.00 24.42 H new ATOM 0 HZ3 TRP A 107 7.331 -7.707 -5.020 1.00 44.22 H new ATOM 0 HH2 TRP A 107 5.431 -9.295 -5.196 1.00 5.15 H new TER 1560 TRP A 107