USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 958 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 2 SER OG : rot 130:sc= -0.278 USER MOD Set 1.2: A 72 GLN : amide:sc= -0.553 X(o=-0.83,f=-0.7) USER MOD Set 2.1: A 45 TYR OH : rot -174:sc= -0.0365 USER MOD Set 2.2: A 51 ASN : amide:sc= -3.27! C(o=-3.3!,f=-4.6!) USER MOD Set 3.1: A 3 GLN : amide:sc= -0.224 X(o=-1.2,f=-1.1) USER MOD Set 3.2: A 4 ASN : amide:sc= -0.967 K(o=-1.2,f=-3.8!) USER MOD Set 4.1: A 1 MET N :NH3+ -179:sc= 1.69 (180deg=1.66) USER MOD Set 4.2: A 115 TYR OH : rot -7:sc= 1.23 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -1.34 K(o=-1.3,f=-4.9) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -129:sc= -0.476 (180deg=-2.72!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -67:sc= 1.04 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -2.22 K(o=-2.2,f=-1.1) USER MOD Single : A 37 GLN : amide:sc= -0.113 K(o=-0.11,f=-1.2) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -63:sc= 1.21 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 180:sc= -0.269 USER MOD Single : A 53 CYS SG : rot 154:sc= 0.0201 USER MOD Single : A 57 THR OG1 : rot 130:sc= -0.0945 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -87:sc= 0.535 USER MOD Single : A 77 LYS NZ :NH3+ -134:sc= -0.0516 (180deg=-1.21) USER MOD Single : A 83 MET CE :methyl 143:sc= -1.39 (180deg=-5.47!) USER MOD Single : A 85 ASN : amide:sc= -0.62 K(o=-0.62,f=-1.1) USER MOD Single : A 86 ASN : amide:sc= -1.43 X(o=-1.4,f=-1.4) USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.62 X(o=-0.62,f=-0.9) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot -171:sc= 1.24 USER MOD Single : A 118 GLN : amide:sc= -0.959 K(o=-0.96,f=-1.5) USER MOD Single : A 119 LYS NZ :NH3+ -119:sc= -0.111 (180deg=-0.573) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.787 -0.291 -0.638 1.00 41.12 N ATOM 2 CA MET A 1 1.380 0.958 -0.004 1.00 73.42 C ATOM 3 C MET A 1 2.595 1.745 0.476 1.00 34.15 C ATOM 4 O MET A 1 2.987 1.650 1.639 1.00 11.14 O ATOM 5 CB MET A 1 0.442 0.675 1.172 1.00 44.45 C ATOM 6 CG MET A 1 -1.025 0.618 0.779 1.00 61.33 C ATOM 7 SD MET A 1 -2.125 0.569 2.207 1.00 62.23 S ATOM 8 CE MET A 1 -2.811 -1.078 2.049 1.00 32.01 C ATOM 0 H1 MET A 1 0.945 -0.801 -0.972 1.00 41.12 H new ATOM 0 H2 MET A 1 2.409 -0.084 -1.445 1.00 41.12 H new ATOM 0 H3 MET A 1 2.298 -0.879 0.051 1.00 41.12 H new ATOM 0 HA MET A 1 0.851 1.558 -0.745 1.00 73.42 H new ATOM 0 HB2 MET A 1 0.724 -0.273 1.631 1.00 44.45 H new ATOM 0 HB3 MET A 1 0.577 1.448 1.928 1.00 44.45 H new ATOM 0 HG2 MET A 1 -1.268 1.488 0.168 1.00 61.33 H new ATOM 0 HG3 MET A 1 -1.198 -0.264 0.162 1.00 61.33 H new ATOM 0 HE1 MET A 1 -3.513 -1.259 2.863 1.00 32.01 H new ATOM 0 HE2 MET A 1 -3.331 -1.166 1.095 1.00 32.01 H new ATOM 0 HE3 MET A 1 -2.007 -1.813 2.093 1.00 32.01 H new ATOM 18 N SER A 2 3.186 2.521 -0.426 1.00 11.42 N ATOM 19 CA SER A 2 4.359 3.322 -0.094 1.00 72.13 C ATOM 20 C SER A 2 4.036 4.329 1.005 1.00 10.31 C ATOM 21 O SER A 2 2.971 4.273 1.619 1.00 54.34 O ATOM 22 CB SER A 2 4.872 4.053 -1.337 1.00 34.43 C ATOM 23 OG SER A 2 4.298 3.516 -2.517 1.00 4.44 O ATOM 0 H SER A 2 2.872 2.612 -1.392 1.00 11.42 H new ATOM 0 HA SER A 2 5.136 2.650 0.270 1.00 72.13 H new ATOM 0 HB2 SER A 2 4.634 5.114 -1.263 1.00 34.43 H new ATOM 0 HB3 SER A 2 5.958 3.973 -1.388 1.00 34.43 H new ATOM 0 HG SER A 2 3.935 4.243 -3.065 1.00 4.44 H new ATOM 29 N GLN A 3 4.964 5.249 1.247 1.00 3.04 N ATOM 30 CA GLN A 3 4.779 6.269 2.273 1.00 23.31 C ATOM 31 C GLN A 3 5.331 7.613 1.810 1.00 51.00 C ATOM 32 O GLN A 3 6.527 7.751 1.559 1.00 24.34 O ATOM 33 CB GLN A 3 5.464 5.844 3.574 1.00 54.04 C ATOM 34 CG GLN A 3 4.626 6.105 4.815 1.00 30.11 C ATOM 35 CD GLN A 3 3.935 7.454 4.780 1.00 73.42 C ATOM 36 OE1 GLN A 3 2.710 7.534 4.686 1.00 35.10 O ATOM 37 NE2 GLN A 3 4.718 8.523 4.855 1.00 23.03 N ATOM 0 H GLN A 3 5.851 5.309 0.747 1.00 3.04 H new ATOM 0 HA GLN A 3 3.709 6.378 2.452 1.00 23.31 H new ATOM 0 HB2 GLN A 3 5.699 4.781 3.521 1.00 54.04 H new ATOM 0 HB3 GLN A 3 6.411 6.375 3.667 1.00 54.04 H new ATOM 0 HG2 GLN A 3 3.877 5.320 4.914 1.00 30.11 H new ATOM 0 HG3 GLN A 3 5.264 6.051 5.697 1.00 30.11 H new ATOM 0 HE21 GLN A 3 5.729 8.410 4.932 1.00 23.03 H new ATOM 0 HE22 GLN A 3 4.309 9.457 4.836 1.00 23.03 H new ATOM 46 N ASN A 4 4.450 8.602 1.698 1.00 32.22 N ATOM 47 CA ASN A 4 4.849 9.936 1.264 1.00 72.30 C ATOM 48 C ASN A 4 5.659 10.641 2.348 1.00 72.14 C ATOM 49 O ASN A 4 5.126 11.448 3.109 1.00 53.53 O ATOM 50 CB ASN A 4 3.616 10.769 0.909 1.00 11.33 C ATOM 51 CG ASN A 4 2.534 10.682 1.969 1.00 65.11 C ATOM 52 OD1 ASN A 4 2.795 10.289 3.106 1.00 35.41 O ATOM 53 ND2 ASN A 4 1.313 11.049 1.599 1.00 1.22 N ATOM 0 H ASN A 4 3.455 8.505 1.902 1.00 32.22 H new ATOM 0 HA ASN A 4 5.475 9.831 0.378 1.00 72.30 H new ATOM 0 HB2 ASN A 4 3.910 11.810 0.778 1.00 11.33 H new ATOM 0 HB3 ASN A 4 3.214 10.429 -0.045 1.00 11.33 H new ATOM 0 HD21 ASN A 4 0.544 11.012 2.269 1.00 1.22 H new ATOM 0 HD22 ASN A 4 1.143 11.368 0.645 1.00 1.22 H new ATOM 60 N ARG A 5 6.949 10.330 2.411 1.00 44.25 N ATOM 61 CA ARG A 5 7.833 10.933 3.401 1.00 41.41 C ATOM 62 C ARG A 5 9.295 10.638 3.077 1.00 33.32 C ATOM 63 O ARG A 5 10.019 11.505 2.590 1.00 64.20 O ATOM 64 CB ARG A 5 7.495 10.416 4.800 1.00 33.31 C ATOM 65 CG ARG A 5 8.365 11.009 5.896 1.00 70.00 C ATOM 66 CD ARG A 5 8.264 10.206 7.184 1.00 53.34 C ATOM 67 NE ARG A 5 9.557 10.074 7.849 1.00 70.41 N ATOM 68 CZ ARG A 5 10.150 11.064 8.506 1.00 24.21 C ATOM 69 NH1 ARG A 5 9.569 12.253 8.586 1.00 64.13 N ATOM 70 NH2 ARG A 5 11.327 10.865 9.086 1.00 44.43 N ATOM 0 H ARG A 5 7.406 9.664 1.788 1.00 44.25 H new ATOM 0 HA ARG A 5 7.684 12.012 3.374 1.00 41.41 H new ATOM 0 HB2 ARG A 5 6.450 10.638 5.017 1.00 33.31 H new ATOM 0 HB3 ARG A 5 7.600 9.331 4.812 1.00 33.31 H new ATOM 0 HG2 ARG A 5 9.403 11.036 5.563 1.00 70.00 H new ATOM 0 HG3 ARG A 5 8.063 12.039 6.084 1.00 70.00 H new ATOM 0 HD2 ARG A 5 7.557 10.690 7.858 1.00 53.34 H new ATOM 0 HD3 ARG A 5 7.867 9.215 6.963 1.00 53.34 H new ATOM 0 HE ARG A 5 10.031 9.172 7.807 1.00 70.41 H new ATOM 0 HH11 ARG A 5 8.664 12.409 8.142 1.00 64.13 H new ATOM 0 HH12 ARG A 5 10.027 13.011 9.091 1.00 64.13 H new ATOM 0 HH21 ARG A 5 11.777 9.951 9.027 1.00 44.43 H new ATOM 0 HH22 ARG A 5 11.782 11.626 9.591 1.00 44.43 H new ATOM 84 N GLN A 6 9.719 9.409 3.352 1.00 24.32 N ATOM 85 CA GLN A 6 11.094 9.000 3.091 1.00 25.12 C ATOM 86 C GLN A 6 11.136 7.643 2.396 1.00 5.11 C ATOM 87 O GLN A 6 10.216 6.835 2.532 1.00 43.53 O ATOM 88 CB GLN A 6 11.888 8.942 4.398 1.00 62.25 C ATOM 89 CG GLN A 6 11.844 7.582 5.076 1.00 12.44 C ATOM 90 CD GLN A 6 10.430 7.125 5.374 1.00 74.51 C ATOM 91 OE1 GLN A 6 9.603 7.899 5.857 1.00 73.25 O ATOM 92 NE2 GLN A 6 10.144 5.860 5.087 1.00 73.04 N ATOM 0 H GLN A 6 9.131 8.680 3.755 1.00 24.32 H new ATOM 0 HA GLN A 6 11.547 9.740 2.431 1.00 25.12 H new ATOM 0 HB2 GLN A 6 12.926 9.204 4.195 1.00 62.25 H new ATOM 0 HB3 GLN A 6 11.498 9.694 5.084 1.00 62.25 H new ATOM 0 HG2 GLN A 6 12.333 6.846 4.438 1.00 12.44 H new ATOM 0 HG3 GLN A 6 12.412 7.625 6.006 1.00 12.44 H new ATOM 0 HE21 GLN A 6 10.860 5.253 4.688 1.00 73.04 H new ATOM 0 HE22 GLN A 6 9.208 5.495 5.266 1.00 73.04 H new ATOM 101 N LEU A 7 12.209 7.398 1.651 1.00 11.54 N ATOM 102 CA LEU A 7 12.371 6.139 0.934 1.00 61.30 C ATOM 103 C LEU A 7 13.509 5.315 1.530 1.00 52.55 C ATOM 104 O LEU A 7 14.649 5.775 1.604 1.00 42.10 O ATOM 105 CB LEU A 7 12.640 6.404 -0.548 1.00 41.13 C ATOM 106 CG LEU A 7 11.426 6.326 -1.475 1.00 44.51 C ATOM 107 CD1 LEU A 7 11.137 4.883 -1.855 1.00 75.22 C ATOM 108 CD2 LEU A 7 10.210 6.961 -0.816 1.00 24.23 C ATOM 0 H LEU A 7 12.979 8.055 1.528 1.00 11.54 H new ATOM 0 HA LEU A 7 11.446 5.572 1.033 1.00 61.30 H new ATOM 0 HB2 LEU A 7 13.083 7.395 -0.645 1.00 41.13 H new ATOM 0 HB3 LEU A 7 13.384 5.687 -0.895 1.00 41.13 H new ATOM 0 HG LEU A 7 11.651 6.881 -2.386 1.00 44.51 H new ATOM 0 HD11 LEU A 7 10.270 4.847 -2.515 1.00 75.22 H new ATOM 0 HD12 LEU A 7 12.001 4.462 -2.368 1.00 75.22 H new ATOM 0 HD13 LEU A 7 10.932 4.304 -0.955 1.00 75.22 H new ATOM 0 HD21 LEU A 7 9.356 6.896 -1.490 1.00 24.23 H new ATOM 0 HD22 LEU A 7 9.982 6.434 0.111 1.00 24.23 H new ATOM 0 HD23 LEU A 7 10.420 8.008 -0.596 1.00 24.23 H new ATOM 120 N LEU A 8 13.192 4.096 1.951 1.00 61.05 N ATOM 121 CA LEU A 8 14.188 3.207 2.538 1.00 63.54 C ATOM 122 C LEU A 8 15.412 3.087 1.634 1.00 14.34 C ATOM 123 O LEU A 8 16.465 3.657 1.921 1.00 62.53 O ATOM 124 CB LEU A 8 13.584 1.823 2.782 1.00 21.34 C ATOM 125 CG LEU A 8 13.367 1.434 4.245 1.00 2.33 C ATOM 126 CD1 LEU A 8 12.844 0.010 4.347 1.00 30.05 C ATOM 127 CD2 LEU A 8 14.659 1.588 5.035 1.00 32.11 C ATOM 0 H LEU A 8 12.253 3.701 1.897 1.00 61.05 H new ATOM 0 HA LEU A 8 14.503 3.633 3.491 1.00 63.54 H new ATOM 0 HB2 LEU A 8 12.625 1.771 2.267 1.00 21.34 H new ATOM 0 HB3 LEU A 8 14.234 1.079 2.321 1.00 21.34 H new ATOM 0 HG LEU A 8 12.621 2.104 4.672 1.00 2.33 H new ATOM 0 HD11 LEU A 8 12.696 -0.249 5.395 1.00 30.05 H new ATOM 0 HD12 LEU A 8 11.895 -0.068 3.816 1.00 30.05 H new ATOM 0 HD13 LEU A 8 13.566 -0.675 3.903 1.00 30.05 H new ATOM 0 HD21 LEU A 8 14.486 1.307 6.074 1.00 32.11 H new ATOM 0 HD22 LEU A 8 15.426 0.942 4.607 1.00 32.11 H new ATOM 0 HD23 LEU A 8 14.991 2.625 4.990 1.00 32.11 H new ATOM 139 N TYR A 9 15.264 2.346 0.542 1.00 31.12 N ATOM 140 CA TYR A 9 16.357 2.152 -0.403 1.00 73.24 C ATOM 141 C TYR A 9 15.869 1.437 -1.660 1.00 24.21 C ATOM 142 O TYR A 9 16.132 0.253 -1.873 1.00 61.01 O ATOM 143 CB TYR A 9 17.486 1.351 0.247 1.00 32.23 C ATOM 144 CG TYR A 9 16.999 0.211 1.113 1.00 74.45 C ATOM 145 CD1 TYR A 9 16.708 0.408 2.457 1.00 52.11 C ATOM 146 CD2 TYR A 9 16.830 -1.064 0.586 1.00 21.24 C ATOM 147 CE1 TYR A 9 16.263 -0.631 3.252 1.00 41.34 C ATOM 148 CE2 TYR A 9 16.385 -2.108 1.373 1.00 35.52 C ATOM 149 CZ TYR A 9 16.103 -1.887 2.705 1.00 14.11 C ATOM 150 OH TYR A 9 15.660 -2.925 3.493 1.00 52.15 O ATOM 0 H TYR A 9 14.398 1.870 0.289 1.00 31.12 H new ATOM 0 HA TYR A 9 16.735 3.134 -0.688 1.00 73.24 H new ATOM 0 HB2 TYR A 9 18.133 0.952 -0.534 1.00 32.23 H new ATOM 0 HB3 TYR A 9 18.094 2.022 0.853 1.00 32.23 H new ATOM 0 HD1 TYR A 9 16.832 1.390 2.888 1.00 52.11 H new ATOM 0 HD2 TYR A 9 17.050 -1.241 -0.456 1.00 21.24 H new ATOM 0 HE1 TYR A 9 16.042 -0.461 4.295 1.00 41.34 H new ATOM 0 HE2 TYR A 9 16.258 -3.093 0.948 1.00 35.52 H new ATOM 0 HH TYR A 9 15.600 -3.742 2.955 1.00 52.15 H new ATOM 160 N PRO A 10 15.142 2.173 -2.513 1.00 61.45 N ATOM 161 CA PRO A 10 14.603 1.631 -3.765 1.00 10.24 C ATOM 162 C PRO A 10 15.695 1.343 -4.790 1.00 14.34 C ATOM 163 O PRO A 10 16.412 2.248 -5.217 1.00 72.13 O ATOM 164 CB PRO A 10 13.680 2.746 -4.265 1.00 23.52 C ATOM 165 CG PRO A 10 14.228 3.991 -3.659 1.00 0.42 C ATOM 166 CD PRO A 10 14.790 3.590 -2.323 1.00 64.23 C ATOM 0 HA PRO A 10 14.098 0.677 -3.613 1.00 10.24 H new ATOM 0 HB2 PRO A 10 13.681 2.802 -5.354 1.00 23.52 H new ATOM 0 HB3 PRO A 10 12.649 2.575 -3.955 1.00 23.52 H new ATOM 0 HG2 PRO A 10 15.001 4.426 -4.293 1.00 0.42 H new ATOM 0 HG3 PRO A 10 13.449 4.745 -3.544 1.00 0.42 H new ATOM 0 HD2 PRO A 10 15.661 4.189 -2.058 1.00 64.23 H new ATOM 0 HD3 PRO A 10 14.059 3.719 -1.524 1.00 64.23 H new ATOM 174 N ARG A 11 15.815 0.079 -5.180 1.00 33.41 N ATOM 175 CA ARG A 11 16.820 -0.328 -6.155 1.00 32.15 C ATOM 176 C ARG A 11 16.764 -1.833 -6.398 1.00 34.44 C ATOM 177 O ARG A 11 16.996 -2.300 -7.512 1.00 72.41 O ATOM 178 CB ARG A 11 18.217 0.070 -5.675 1.00 13.04 C ATOM 179 CG ARG A 11 18.460 -0.219 -4.202 1.00 63.04 C ATOM 180 CD ARG A 11 19.867 -0.746 -3.963 1.00 53.44 C ATOM 181 NE ARG A 11 19.927 -1.642 -2.812 1.00 61.43 N ATOM 182 CZ ARG A 11 21.059 -2.140 -2.327 1.00 20.10 C ATOM 183 NH1 ARG A 11 22.219 -1.830 -2.890 1.00 13.32 N ATOM 184 NH2 ARG A 11 21.032 -2.950 -1.276 1.00 45.21 N ATOM 0 H ARG A 11 15.229 -0.682 -4.836 1.00 33.41 H new ATOM 0 HA ARG A 11 16.606 0.182 -7.094 1.00 32.15 H new ATOM 0 HB2 ARG A 11 18.961 -0.461 -6.268 1.00 13.04 H new ATOM 0 HB3 ARG A 11 18.365 1.134 -5.857 1.00 13.04 H new ATOM 0 HG2 ARG A 11 18.307 0.691 -3.621 1.00 63.04 H new ATOM 0 HG3 ARG A 11 17.732 -0.949 -3.848 1.00 63.04 H new ATOM 0 HD2 ARG A 11 20.212 -1.274 -4.852 1.00 53.44 H new ATOM 0 HD3 ARG A 11 20.546 0.092 -3.806 1.00 53.44 H new ATOM 0 HE ARG A 11 19.052 -1.900 -2.355 1.00 61.43 H new ATOM 0 HH11 ARG A 11 22.244 -1.208 -3.698 1.00 13.32 H new ATOM 0 HH12 ARG A 11 23.087 -2.214 -2.515 1.00 13.32 H new ATOM 0 HH21 ARG A 11 20.142 -3.190 -0.840 1.00 45.21 H new ATOM 0 HH22 ARG A 11 21.902 -3.332 -0.904 1.00 45.21 H new ATOM 198 N GLU A 12 16.454 -2.586 -5.347 1.00 23.44 N ATOM 199 CA GLU A 12 16.369 -4.039 -5.447 1.00 4.44 C ATOM 200 C GLU A 12 15.437 -4.452 -6.582 1.00 20.23 C ATOM 201 O GLU A 12 15.602 -5.516 -7.177 1.00 21.40 O ATOM 202 CB GLU A 12 15.879 -4.635 -4.126 1.00 34.22 C ATOM 203 CG GLU A 12 16.630 -5.888 -3.707 1.00 43.41 C ATOM 204 CD GLU A 12 15.716 -6.951 -3.129 1.00 44.41 C ATOM 205 OE1 GLU A 12 15.186 -6.738 -2.019 1.00 53.00 O ATOM 206 OE2 GLU A 12 15.532 -7.996 -3.788 1.00 0.42 O ATOM 0 H GLU A 12 16.258 -2.215 -4.417 1.00 23.44 H new ATOM 0 HA GLU A 12 17.366 -4.423 -5.662 1.00 4.44 H new ATOM 0 HB2 GLU A 12 15.975 -3.885 -3.341 1.00 34.22 H new ATOM 0 HB3 GLU A 12 14.818 -4.870 -4.215 1.00 34.22 H new ATOM 0 HG2 GLU A 12 17.156 -6.297 -4.569 1.00 43.41 H new ATOM 0 HG3 GLU A 12 17.386 -5.624 -2.968 1.00 43.41 H new ATOM 213 N GLU A 13 14.457 -3.603 -6.874 1.00 44.54 N ATOM 214 CA GLU A 13 13.498 -3.881 -7.937 1.00 10.53 C ATOM 215 C GLU A 13 14.055 -3.464 -9.295 1.00 55.11 C ATOM 216 O GLU A 13 13.854 -4.150 -10.297 1.00 34.03 O ATOM 217 CB GLU A 13 12.180 -3.151 -7.668 1.00 21.22 C ATOM 218 CG GLU A 13 12.329 -1.642 -7.567 1.00 20.44 C ATOM 219 CD GLU A 13 11.019 -0.947 -7.250 1.00 43.23 C ATOM 220 OE1 GLU A 13 10.158 -0.866 -8.152 1.00 24.15 O ATOM 221 OE2 GLU A 13 10.855 -0.483 -6.103 1.00 22.14 O ATOM 0 H GLU A 13 14.306 -2.718 -6.390 1.00 44.54 H new ATOM 0 HA GLU A 13 13.314 -4.955 -7.954 1.00 10.53 H new ATOM 0 HB2 GLU A 13 11.475 -3.385 -8.466 1.00 21.22 H new ATOM 0 HB3 GLU A 13 11.748 -3.528 -6.741 1.00 21.22 H new ATOM 0 HG2 GLU A 13 13.059 -1.404 -6.794 1.00 20.44 H new ATOM 0 HG3 GLU A 13 12.723 -1.256 -8.507 1.00 20.44 H new ATOM 228 N MET A 14 14.754 -2.334 -9.320 1.00 63.31 N ATOM 229 CA MET A 14 15.341 -1.826 -10.555 1.00 34.11 C ATOM 230 C MET A 14 16.139 -2.914 -11.266 1.00 31.23 C ATOM 231 O MET A 14 15.972 -3.138 -12.465 1.00 12.32 O ATOM 232 CB MET A 14 16.242 -0.626 -10.260 1.00 42.22 C ATOM 233 CG MET A 14 15.509 0.544 -9.624 1.00 33.53 C ATOM 234 SD MET A 14 16.463 2.073 -9.675 1.00 33.34 S ATOM 235 CE MET A 14 15.767 2.953 -8.278 1.00 73.35 C ATOM 0 H MET A 14 14.928 -1.753 -8.500 1.00 63.31 H new ATOM 0 HA MET A 14 14.530 -1.509 -11.210 1.00 34.11 H new ATOM 0 HB2 MET A 14 17.048 -0.942 -9.598 1.00 42.22 H new ATOM 0 HB3 MET A 14 16.704 -0.292 -11.189 1.00 42.22 H new ATOM 0 HG2 MET A 14 14.560 0.695 -10.138 1.00 33.53 H new ATOM 0 HG3 MET A 14 15.275 0.301 -8.588 1.00 33.53 H new ATOM 0 HE1 MET A 14 15.473 3.956 -8.589 1.00 73.35 H new ATOM 0 HE2 MET A 14 14.893 2.417 -7.909 1.00 73.35 H new ATOM 0 HE3 MET A 14 16.511 3.023 -7.485 1.00 73.35 H new ATOM 245 N VAL A 15 17.008 -3.588 -10.519 1.00 35.53 N ATOM 246 CA VAL A 15 17.831 -4.654 -11.078 1.00 2.24 C ATOM 247 C VAL A 15 16.968 -5.766 -11.663 1.00 43.12 C ATOM 248 O VAL A 15 17.367 -6.441 -12.612 1.00 42.33 O ATOM 249 CB VAL A 15 18.770 -5.254 -10.014 1.00 44.44 C ATOM 250 CG1 VAL A 15 19.806 -4.229 -9.577 1.00 13.31 C ATOM 251 CG2 VAL A 15 17.971 -5.759 -8.822 1.00 44.34 C ATOM 0 H VAL A 15 17.160 -3.415 -9.525 1.00 35.53 H new ATOM 0 HA VAL A 15 18.430 -4.208 -11.872 1.00 2.24 H new ATOM 0 HB VAL A 15 19.296 -6.101 -10.454 1.00 44.44 H new ATOM 0 HG11 VAL A 15 20.460 -4.671 -8.825 1.00 13.31 H new ATOM 0 HG12 VAL A 15 20.399 -3.921 -10.438 1.00 13.31 H new ATOM 0 HG13 VAL A 15 19.302 -3.360 -9.154 1.00 13.31 H new ATOM 0 HG21 VAL A 15 18.650 -6.179 -8.080 1.00 44.34 H new ATOM 0 HG22 VAL A 15 17.417 -4.932 -8.379 1.00 44.34 H new ATOM 0 HG23 VAL A 15 17.273 -6.528 -9.152 1.00 44.34 H new ATOM 261 N SER A 16 15.783 -5.951 -11.091 1.00 30.20 N ATOM 262 CA SER A 16 14.864 -6.984 -11.554 1.00 32.20 C ATOM 263 C SER A 16 14.475 -6.752 -13.011 1.00 13.12 C ATOM 264 O SER A 16 14.566 -7.656 -13.842 1.00 35.51 O ATOM 265 CB SER A 16 13.610 -7.011 -10.677 1.00 62.25 C ATOM 266 OG SER A 16 12.989 -8.285 -10.715 1.00 3.55 O ATOM 0 H SER A 16 15.437 -5.399 -10.306 1.00 30.20 H new ATOM 0 HA SER A 16 15.371 -7.946 -11.481 1.00 32.20 H new ATOM 0 HB2 SER A 16 13.876 -6.763 -9.649 1.00 62.25 H new ATOM 0 HB3 SER A 16 12.908 -6.250 -11.017 1.00 62.25 H new ATOM 0 HG SER A 16 12.191 -8.277 -10.146 1.00 3.55 H new ATOM 272 N LEU A 17 14.041 -5.533 -13.313 1.00 72.33 N ATOM 273 CA LEU A 17 13.637 -5.180 -14.670 1.00 1.22 C ATOM 274 C LEU A 17 14.776 -5.417 -15.656 1.00 61.12 C ATOM 275 O LEU A 17 14.664 -6.241 -16.564 1.00 73.01 O ATOM 276 CB LEU A 17 13.195 -3.717 -14.726 1.00 52.54 C ATOM 277 CG LEU A 17 12.059 -3.321 -13.781 1.00 65.55 C ATOM 278 CD1 LEU A 17 11.164 -4.516 -13.494 1.00 73.45 C ATOM 279 CD2 LEU A 17 12.618 -2.748 -12.487 1.00 71.12 C ATOM 0 H LEU A 17 13.960 -4.773 -12.637 1.00 72.33 H new ATOM 0 HA LEU A 17 12.799 -5.818 -14.951 1.00 1.22 H new ATOM 0 HB2 LEU A 17 14.058 -3.089 -14.507 1.00 52.54 H new ATOM 0 HB3 LEU A 17 12.887 -3.490 -15.747 1.00 52.54 H new ATOM 0 HG LEU A 17 11.459 -2.551 -14.266 1.00 65.55 H new ATOM 0 HD11 LEU A 17 10.361 -4.216 -12.820 1.00 73.45 H new ATOM 0 HD12 LEU A 17 10.736 -4.883 -14.427 1.00 73.45 H new ATOM 0 HD13 LEU A 17 11.752 -5.307 -13.029 1.00 73.45 H new ATOM 0 HD21 LEU A 17 11.796 -2.472 -11.827 1.00 71.12 H new ATOM 0 HD22 LEU A 17 13.241 -3.496 -11.997 1.00 71.12 H new ATOM 0 HD23 LEU A 17 13.218 -1.865 -12.709 1.00 71.12 H new ATOM 291 N VAL A 18 15.874 -4.691 -15.471 1.00 11.14 N ATOM 292 CA VAL A 18 17.035 -4.825 -16.342 1.00 4.42 C ATOM 293 C VAL A 18 17.446 -6.285 -16.490 1.00 30.30 C ATOM 294 O VAL A 18 17.937 -6.699 -17.540 1.00 73.24 O ATOM 295 CB VAL A 18 18.234 -4.018 -15.807 1.00 54.45 C ATOM 296 CG1 VAL A 18 18.693 -4.568 -14.466 1.00 15.13 C ATOM 297 CG2 VAL A 18 19.373 -4.027 -16.815 1.00 4.01 C ATOM 0 H VAL A 18 15.984 -4.004 -14.725 1.00 11.14 H new ATOM 0 HA VAL A 18 16.746 -4.431 -17.317 1.00 4.42 H new ATOM 0 HB VAL A 18 17.918 -2.985 -15.659 1.00 54.45 H new ATOM 0 HG11 VAL A 18 19.540 -3.985 -14.104 1.00 15.13 H new ATOM 0 HG12 VAL A 18 17.876 -4.504 -13.748 1.00 15.13 H new ATOM 0 HG13 VAL A 18 18.993 -5.609 -14.583 1.00 15.13 H new ATOM 0 HG21 VAL A 18 20.212 -3.453 -16.421 1.00 4.01 H new ATOM 0 HG22 VAL A 18 19.690 -5.054 -16.997 1.00 4.01 H new ATOM 0 HG23 VAL A 18 19.035 -3.581 -17.750 1.00 4.01 H new ATOM 307 N ARG A 19 17.241 -7.062 -15.431 1.00 64.12 N ATOM 308 CA ARG A 19 17.591 -8.477 -15.443 1.00 30.40 C ATOM 309 C ARG A 19 16.631 -9.267 -16.328 1.00 31.23 C ATOM 310 O ARG A 19 17.034 -10.206 -17.014 1.00 74.23 O ATOM 311 CB ARG A 19 17.572 -9.041 -14.021 1.00 31.20 C ATOM 312 CG ARG A 19 18.904 -8.917 -13.299 1.00 34.52 C ATOM 313 CD ARG A 19 18.897 -9.680 -11.983 1.00 53.30 C ATOM 314 NE ARG A 19 18.981 -11.123 -12.186 1.00 72.54 N ATOM 315 CZ ARG A 19 19.074 -12.001 -11.194 1.00 34.32 C ATOM 316 NH1 ARG A 19 19.094 -11.584 -9.935 1.00 74.43 N ATOM 317 NH2 ARG A 19 19.146 -13.299 -11.459 1.00 60.40 N ATOM 0 H ARG A 19 16.834 -6.735 -14.554 1.00 64.12 H new ATOM 0 HA ARG A 19 18.597 -8.573 -15.851 1.00 30.40 H new ATOM 0 HB2 ARG A 19 16.806 -8.523 -13.444 1.00 31.20 H new ATOM 0 HB3 ARG A 19 17.286 -10.092 -14.060 1.00 31.20 H new ATOM 0 HG2 ARG A 19 19.702 -9.297 -13.937 1.00 34.52 H new ATOM 0 HG3 ARG A 19 19.120 -7.866 -13.110 1.00 34.52 H new ATOM 0 HD2 ARG A 19 19.735 -9.351 -11.369 1.00 53.30 H new ATOM 0 HD3 ARG A 19 17.987 -9.444 -11.432 1.00 53.30 H new ATOM 0 HE ARG A 19 18.968 -11.477 -13.143 1.00 72.54 H new ATOM 0 HH11 ARG A 19 19.038 -10.587 -9.727 1.00 74.43 H new ATOM 0 HH12 ARG A 19 19.165 -12.260 -9.175 1.00 74.43 H new ATOM 0 HH21 ARG A 19 19.130 -13.624 -12.426 1.00 60.40 H new ATOM 0 HH22 ARG A 19 19.217 -13.972 -10.696 1.00 60.40 H new ATOM 331 N SER A 20 15.359 -8.880 -16.305 1.00 65.13 N ATOM 332 CA SER A 20 14.341 -9.554 -17.102 1.00 30.52 C ATOM 333 C SER A 20 14.655 -9.444 -18.591 1.00 32.52 C ATOM 334 O SER A 20 14.328 -10.338 -19.374 1.00 1.52 O ATOM 335 CB SER A 20 12.961 -8.959 -16.814 1.00 45.34 C ATOM 336 OG SER A 20 12.698 -7.851 -17.658 1.00 64.23 O ATOM 0 H SER A 20 15.009 -8.104 -15.743 1.00 65.13 H new ATOM 0 HA SER A 20 14.339 -10.609 -16.827 1.00 30.52 H new ATOM 0 HB2 SER A 20 12.195 -9.721 -16.959 1.00 45.34 H new ATOM 0 HB3 SER A 20 12.906 -8.647 -15.771 1.00 45.34 H new ATOM 0 HG SER A 20 13.300 -7.113 -17.426 1.00 64.23 H new ATOM 342 N LEU A 21 15.290 -8.343 -18.975 1.00 64.10 N ATOM 343 CA LEU A 21 15.650 -8.114 -20.370 1.00 75.43 C ATOM 344 C LEU A 21 17.133 -8.385 -20.602 1.00 74.13 C ATOM 345 O LEU A 21 17.918 -8.446 -19.656 1.00 42.24 O ATOM 346 CB LEU A 21 15.312 -6.678 -20.775 1.00 60.55 C ATOM 347 CG LEU A 21 16.181 -5.584 -20.155 1.00 62.10 C ATOM 348 CD1 LEU A 21 16.986 -4.869 -21.229 1.00 1.31 C ATOM 349 CD2 LEU A 21 15.322 -4.594 -19.382 1.00 75.42 C ATOM 0 H LEU A 21 15.567 -7.594 -18.340 1.00 64.10 H new ATOM 0 HA LEU A 21 15.074 -8.804 -20.986 1.00 75.43 H new ATOM 0 HB2 LEU A 21 15.385 -6.601 -21.860 1.00 60.55 H new ATOM 0 HB3 LEU A 21 14.273 -6.482 -20.511 1.00 60.55 H new ATOM 0 HG LEU A 21 16.877 -6.051 -19.459 1.00 62.10 H new ATOM 0 HD11 LEU A 21 17.599 -4.094 -20.769 1.00 1.31 H new ATOM 0 HD12 LEU A 21 17.630 -5.586 -21.739 1.00 1.31 H new ATOM 0 HD13 LEU A 21 16.307 -4.414 -21.951 1.00 1.31 H new ATOM 0 HD21 LEU A 21 15.958 -3.822 -18.948 1.00 75.42 H new ATOM 0 HD22 LEU A 21 14.601 -4.133 -20.057 1.00 75.42 H new ATOM 0 HD23 LEU A 21 14.791 -5.117 -18.587 1.00 75.42 H new ATOM 361 N ASP A 22 17.509 -8.545 -21.866 1.00 53.23 N ATOM 362 CA ASP A 22 18.898 -8.806 -22.223 1.00 44.54 C ATOM 363 C ASP A 22 19.041 -9.028 -23.726 1.00 11.40 C ATOM 364 O ASP A 22 18.885 -10.146 -24.216 1.00 20.35 O ATOM 365 CB ASP A 22 19.422 -10.025 -21.463 1.00 45.22 C ATOM 366 CG ASP A 22 20.733 -9.746 -20.754 1.00 42.43 C ATOM 367 OD1 ASP A 22 21.614 -9.104 -21.365 1.00 72.33 O ATOM 368 OD2 ASP A 22 20.878 -10.168 -19.588 1.00 41.31 O ATOM 0 H ASP A 22 16.871 -8.498 -22.660 1.00 53.23 H new ATOM 0 HA ASP A 22 19.488 -7.933 -21.945 1.00 44.54 H new ATOM 0 HB2 ASP A 22 18.678 -10.342 -20.733 1.00 45.22 H new ATOM 0 HB3 ASP A 22 19.558 -10.853 -22.159 1.00 45.22 H new ATOM 373 N ARG A 23 19.337 -7.955 -24.452 1.00 52.51 N ATOM 374 CA ARG A 23 19.498 -8.032 -25.899 1.00 52.10 C ATOM 375 C ARG A 23 20.237 -6.807 -26.430 1.00 71.10 C ATOM 376 O ARG A 23 19.677 -5.974 -27.143 1.00 73.31 O ATOM 377 CB ARG A 23 18.133 -8.152 -26.580 1.00 21.13 C ATOM 378 CG ARG A 23 18.171 -8.926 -27.887 1.00 72.13 C ATOM 379 CD ARG A 23 18.552 -10.381 -27.663 1.00 32.04 C ATOM 380 NE ARG A 23 17.785 -10.986 -26.577 1.00 21.31 N ATOM 381 CZ ARG A 23 16.555 -11.466 -26.724 1.00 40.34 C ATOM 382 NH1 ARG A 23 15.956 -11.411 -27.906 1.00 32.12 N ATOM 383 NH2 ARG A 23 15.922 -12.002 -25.689 1.00 0.33 N ATOM 0 H ARG A 23 19.470 -7.022 -24.062 1.00 52.51 H new ATOM 0 HA ARG A 23 20.089 -8.919 -26.127 1.00 52.10 H new ATOM 0 HB2 ARG A 23 17.438 -8.641 -25.898 1.00 21.13 H new ATOM 0 HB3 ARG A 23 17.742 -7.152 -26.771 1.00 21.13 H new ATOM 0 HG2 ARG A 23 17.195 -8.875 -28.370 1.00 72.13 H new ATOM 0 HG3 ARG A 23 18.887 -8.462 -28.565 1.00 72.13 H new ATOM 0 HD2 ARG A 23 18.387 -10.945 -28.581 1.00 32.04 H new ATOM 0 HD3 ARG A 23 19.616 -10.446 -27.436 1.00 32.04 H new ATOM 0 HE ARG A 23 18.218 -11.043 -25.655 1.00 21.31 H new ATOM 0 HH11 ARG A 23 16.440 -11.000 -28.704 1.00 32.12 H new ATOM 0 HH12 ARG A 23 15.012 -11.780 -28.017 1.00 32.12 H new ATOM 0 HH21 ARG A 23 16.380 -12.046 -24.778 1.00 0.33 H new ATOM 0 HH22 ARG A 23 14.978 -12.370 -25.804 1.00 0.33 H new ATOM 397 N PRO A 24 21.525 -6.693 -26.075 1.00 3.12 N ATOM 398 CA PRO A 24 22.369 -5.574 -26.504 1.00 53.53 C ATOM 399 C PRO A 24 22.683 -5.623 -27.996 1.00 33.34 C ATOM 400 O PRO A 24 23.778 -6.018 -28.395 1.00 51.50 O ATOM 401 CB PRO A 24 23.647 -5.757 -25.682 1.00 51.33 C ATOM 402 CG PRO A 24 23.690 -7.212 -25.368 1.00 61.45 C ATOM 403 CD PRO A 24 22.258 -7.648 -25.227 1.00 30.22 C ATOM 0 HA PRO A 24 21.880 -4.612 -26.348 1.00 53.53 H new ATOM 0 HB2 PRO A 24 24.528 -5.447 -26.245 1.00 51.33 H new ATOM 0 HB3 PRO A 24 23.622 -5.156 -24.773 1.00 51.33 H new ATOM 0 HG2 PRO A 24 24.191 -7.768 -26.161 1.00 61.45 H new ATOM 0 HG3 PRO A 24 24.246 -7.397 -24.449 1.00 61.45 H new ATOM 0 HD2 PRO A 24 22.116 -8.675 -25.563 1.00 30.22 H new ATOM 0 HD3 PRO A 24 21.925 -7.603 -24.190 1.00 30.22 H new ATOM 411 N GLN A 25 21.715 -5.221 -28.813 1.00 42.32 N ATOM 412 CA GLN A 25 21.890 -5.220 -30.261 1.00 31.12 C ATOM 413 C GLN A 25 22.744 -4.037 -30.706 1.00 35.14 C ATOM 414 O GLN A 25 23.706 -4.202 -31.454 1.00 43.30 O ATOM 415 CB GLN A 25 20.530 -5.175 -30.960 1.00 1.52 C ATOM 416 CG GLN A 25 19.650 -6.376 -30.656 1.00 55.15 C ATOM 417 CD GLN A 25 18.971 -6.929 -31.894 1.00 35.11 C ATOM 418 OE1 GLN A 25 17.771 -6.738 -32.096 1.00 0.21 O ATOM 419 NE2 GLN A 25 19.736 -7.620 -32.731 1.00 0.22 N ATOM 0 H GLN A 25 20.802 -4.892 -28.498 1.00 42.32 H new ATOM 0 HA GLN A 25 22.404 -6.140 -30.540 1.00 31.12 H new ATOM 0 HB2 GLN A 25 20.007 -4.267 -30.661 1.00 1.52 H new ATOM 0 HB3 GLN A 25 20.686 -5.113 -32.037 1.00 1.52 H new ATOM 0 HG2 GLN A 25 20.255 -7.158 -30.198 1.00 55.15 H new ATOM 0 HG3 GLN A 25 18.892 -6.091 -29.927 1.00 55.15 H new ATOM 0 HE21 GLN A 25 20.726 -7.754 -32.525 1.00 0.22 H new ATOM 0 HE22 GLN A 25 19.334 -8.017 -33.580 1.00 0.22 H new ATOM 428 N GLU A 26 22.383 -2.845 -30.240 1.00 22.31 N ATOM 429 CA GLU A 26 23.116 -1.635 -30.592 1.00 3.14 C ATOM 430 C GLU A 26 24.422 -1.543 -29.808 1.00 5.11 C ATOM 431 O GLU A 26 25.481 -1.275 -30.375 1.00 11.44 O ATOM 432 CB GLU A 26 22.259 -0.396 -30.323 1.00 20.44 C ATOM 433 CG GLU A 26 21.747 0.275 -31.586 1.00 11.44 C ATOM 434 CD GLU A 26 20.315 -0.105 -31.909 1.00 63.35 C ATOM 435 OE1 GLU A 26 20.009 -1.316 -31.907 1.00 30.13 O ATOM 436 OE2 GLU A 26 19.502 0.807 -32.166 1.00 33.42 O ATOM 0 H GLU A 26 21.589 -2.692 -29.619 1.00 22.31 H new ATOM 0 HA GLU A 26 23.352 -1.681 -31.655 1.00 3.14 H new ATOM 0 HB2 GLU A 26 21.409 -0.680 -29.702 1.00 20.44 H new ATOM 0 HB3 GLU A 26 22.845 0.324 -29.751 1.00 20.44 H new ATOM 0 HG2 GLU A 26 21.815 1.357 -31.471 1.00 11.44 H new ATOM 0 HG3 GLU A 26 22.389 0.002 -32.424 1.00 11.44 H new ATOM 443 N ASN A 27 24.338 -1.767 -28.501 1.00 3.04 N ATOM 444 CA ASN A 27 25.513 -1.708 -27.638 1.00 33.41 C ATOM 445 C ASN A 27 26.267 -0.397 -27.835 1.00 3.05 C ATOM 446 O ASN A 27 27.432 -0.392 -28.231 1.00 31.12 O ATOM 447 CB ASN A 27 26.440 -2.891 -27.923 1.00 64.22 C ATOM 448 CG ASN A 27 27.426 -3.137 -26.797 1.00 61.54 C ATOM 449 OD1 ASN A 27 28.633 -2.962 -26.965 1.00 1.23 O ATOM 450 ND2 ASN A 27 26.915 -3.547 -25.642 1.00 74.03 N ATOM 0 H ASN A 27 23.469 -1.991 -28.016 1.00 3.04 H new ATOM 0 HA ASN A 27 25.176 -1.760 -26.603 1.00 33.41 H new ATOM 0 HB2 ASN A 27 25.842 -3.788 -28.081 1.00 64.22 H new ATOM 0 HB3 ASN A 27 26.987 -2.706 -28.847 1.00 64.22 H new ATOM 0 HD21 ASN A 27 27.530 -3.730 -24.849 1.00 74.03 H new ATOM 0 HD22 ASN A 27 25.908 -3.679 -25.548 1.00 74.03 H new ATOM 457 N GLY A 28 25.594 0.715 -27.554 1.00 21.23 N ATOM 458 CA GLY A 28 26.216 2.017 -27.705 1.00 45.02 C ATOM 459 C GLY A 28 25.432 3.118 -27.019 1.00 22.21 C ATOM 460 O GLY A 28 26.014 4.046 -26.456 1.00 13.32 O ATOM 0 H GLY A 28 24.629 0.737 -27.224 1.00 21.23 H new ATOM 0 HA2 GLY A 28 27.225 1.984 -27.294 1.00 45.02 H new ATOM 0 HA3 GLY A 28 26.311 2.250 -28.766 1.00 45.02 H new ATOM 464 N LEU A 29 24.109 3.017 -27.066 1.00 74.43 N ATOM 465 CA LEU A 29 23.242 4.013 -26.445 1.00 64.24 C ATOM 466 C LEU A 29 21.783 3.570 -26.491 1.00 4.01 C ATOM 467 O LEU A 29 21.020 3.813 -25.556 1.00 4.42 O ATOM 468 CB LEU A 29 23.400 5.363 -27.147 1.00 73.33 C ATOM 469 CG LEU A 29 23.066 6.598 -26.310 1.00 35.31 C ATOM 470 CD1 LEU A 29 23.596 7.856 -26.979 1.00 42.01 C ATOM 471 CD2 LEU A 29 21.564 6.702 -26.089 1.00 35.21 C ATOM 0 H LEU A 29 23.612 2.255 -27.528 1.00 74.43 H new ATOM 0 HA LEU A 29 23.538 4.116 -25.401 1.00 64.24 H new ATOM 0 HB2 LEU A 29 24.430 5.451 -27.494 1.00 73.33 H new ATOM 0 HB3 LEU A 29 22.764 5.366 -28.032 1.00 73.33 H new ATOM 0 HG LEU A 29 23.550 6.496 -25.339 1.00 35.31 H new ATOM 0 HD11 LEU A 29 23.349 8.725 -26.369 1.00 42.01 H new ATOM 0 HD12 LEU A 29 24.678 7.783 -27.085 1.00 42.01 H new ATOM 0 HD13 LEU A 29 23.141 7.963 -27.964 1.00 42.01 H new ATOM 0 HD21 LEU A 29 21.345 7.587 -25.491 1.00 35.21 H new ATOM 0 HD22 LEU A 29 21.059 6.780 -27.052 1.00 35.21 H new ATOM 0 HD23 LEU A 29 21.211 5.814 -25.565 1.00 35.21 H new ATOM 483 N PHE A 30 21.403 2.917 -27.584 1.00 34.33 N ATOM 484 CA PHE A 30 20.035 2.438 -27.751 1.00 2.32 C ATOM 485 C PHE A 30 19.703 1.368 -26.715 1.00 50.11 C ATOM 486 O PHE A 30 18.538 1.027 -26.511 1.00 11.44 O ATOM 487 CB PHE A 30 19.837 1.878 -29.161 1.00 1.31 C ATOM 488 CG PHE A 30 19.178 2.845 -30.103 1.00 4.22 C ATOM 489 CD1 PHE A 30 19.850 3.977 -30.537 1.00 21.23 C ATOM 490 CD2 PHE A 30 17.888 2.622 -30.555 1.00 13.43 C ATOM 491 CE1 PHE A 30 19.246 4.868 -31.403 1.00 11.43 C ATOM 492 CE2 PHE A 30 17.278 3.510 -31.421 1.00 44.42 C ATOM 493 CZ PHE A 30 17.959 4.634 -31.847 1.00 0.45 C ATOM 0 H PHE A 30 22.022 2.707 -28.367 1.00 34.33 H new ATOM 0 HA PHE A 30 19.361 3.282 -27.605 1.00 2.32 H new ATOM 0 HB2 PHE A 30 20.806 1.590 -29.568 1.00 1.31 H new ATOM 0 HB3 PHE A 30 19.234 0.972 -29.102 1.00 1.31 H new ATOM 0 HD1 PHE A 30 20.857 4.165 -30.194 1.00 21.23 H new ATOM 0 HD2 PHE A 30 17.352 1.744 -30.227 1.00 13.43 H new ATOM 0 HE1 PHE A 30 19.780 5.747 -31.733 1.00 11.43 H new ATOM 0 HE2 PHE A 30 16.271 3.325 -31.764 1.00 44.42 H new ATOM 0 HZ PHE A 30 17.486 5.328 -32.526 1.00 0.45 H new ATOM 503 N SER A 31 20.736 0.842 -26.065 1.00 33.41 N ATOM 504 CA SER A 31 20.555 -0.193 -25.053 1.00 61.14 C ATOM 505 C SER A 31 21.646 -0.109 -23.990 1.00 34.24 C ATOM 506 O SER A 31 21.951 -1.096 -23.320 1.00 53.32 O ATOM 507 CB SER A 31 20.566 -1.578 -25.703 1.00 31.32 C ATOM 508 OG SER A 31 19.424 -1.767 -26.520 1.00 72.31 O ATOM 0 H SER A 31 21.706 1.115 -26.221 1.00 33.41 H new ATOM 0 HA SER A 31 19.590 -0.033 -24.572 1.00 61.14 H new ATOM 0 HB2 SER A 31 21.469 -1.695 -26.302 1.00 31.32 H new ATOM 0 HB3 SER A 31 20.595 -2.346 -24.930 1.00 31.32 H new ATOM 0 HG SER A 31 19.456 -2.659 -26.925 1.00 72.31 H new ATOM 514 N GLN A 32 22.228 1.076 -23.841 1.00 4.00 N ATOM 515 CA GLN A 32 23.285 1.289 -22.860 1.00 5.25 C ATOM 516 C GLN A 32 23.354 2.755 -22.442 1.00 74.45 C ATOM 517 O GLN A 32 22.579 3.583 -22.922 1.00 5.22 O ATOM 518 CB GLN A 32 24.635 0.845 -23.427 1.00 74.12 C ATOM 519 CG GLN A 32 25.309 -0.246 -22.611 1.00 33.01 C ATOM 520 CD GLN A 32 24.640 -1.596 -22.776 1.00 73.33 C ATOM 521 OE1 GLN A 32 24.303 -2.260 -21.795 1.00 43.20 O ATOM 522 NE2 GLN A 32 24.443 -2.011 -24.022 1.00 73.03 N ATOM 0 H GLN A 32 21.986 1.903 -24.387 1.00 4.00 H new ATOM 0 HA GLN A 32 23.053 0.689 -21.980 1.00 5.25 H new ATOM 0 HB2 GLN A 32 24.492 0.488 -24.447 1.00 74.12 H new ATOM 0 HB3 GLN A 32 25.298 1.708 -23.482 1.00 74.12 H new ATOM 0 HG2 GLN A 32 26.354 -0.324 -22.909 1.00 33.01 H new ATOM 0 HG3 GLN A 32 25.298 0.034 -21.558 1.00 33.01 H new ATOM 0 HE21 GLN A 32 24.738 -1.429 -24.806 1.00 73.03 H new ATOM 0 HE22 GLN A 32 23.997 -2.912 -24.195 1.00 73.03 H new ATOM 531 N ASP A 33 24.284 3.067 -21.547 1.00 71.11 N ATOM 532 CA ASP A 33 24.454 4.433 -21.066 1.00 33.03 C ATOM 533 C ASP A 33 25.633 5.110 -21.757 1.00 53.34 C ATOM 534 O ASP A 33 26.780 4.692 -21.603 1.00 3.42 O ATOM 535 CB ASP A 33 24.663 4.440 -19.551 1.00 14.24 C ATOM 536 CG ASP A 33 23.402 4.077 -18.791 1.00 11.44 C ATOM 537 OD1 ASP A 33 22.719 3.116 -19.200 1.00 71.31 O ATOM 538 OD2 ASP A 33 23.098 4.756 -17.787 1.00 32.31 O ATOM 0 H ASP A 33 24.932 2.393 -21.140 1.00 71.11 H new ATOM 0 HA ASP A 33 23.548 4.991 -21.303 1.00 33.03 H new ATOM 0 HB2 ASP A 33 25.454 3.736 -19.293 1.00 14.24 H new ATOM 0 HB3 ASP A 33 25.001 5.428 -19.238 1.00 14.24 H new ATOM 543 N VAL A 34 25.342 6.158 -22.522 1.00 15.12 N ATOM 544 CA VAL A 34 26.377 6.894 -23.238 1.00 22.44 C ATOM 545 C VAL A 34 27.417 7.457 -22.275 1.00 35.53 C ATOM 546 O VAL A 34 28.578 7.647 -22.639 1.00 32.52 O ATOM 547 CB VAL A 34 25.778 8.049 -24.061 1.00 74.33 C ATOM 548 CG1 VAL A 34 24.950 8.965 -23.173 1.00 2.12 C ATOM 549 CG2 VAL A 34 26.878 8.827 -24.766 1.00 43.20 C ATOM 0 H VAL A 34 24.397 6.516 -22.662 1.00 15.12 H new ATOM 0 HA VAL A 34 26.857 6.187 -23.915 1.00 22.44 H new ATOM 0 HB VAL A 34 25.119 7.627 -24.820 1.00 74.33 H new ATOM 0 HG11 VAL A 34 24.535 9.775 -23.773 1.00 2.12 H new ATOM 0 HG12 VAL A 34 24.138 8.396 -22.720 1.00 2.12 H new ATOM 0 HG13 VAL A 34 25.583 9.381 -22.389 1.00 2.12 H new ATOM 0 HG21 VAL A 34 26.436 9.640 -25.343 1.00 43.20 H new ATOM 0 HG22 VAL A 34 27.564 9.239 -24.026 1.00 43.20 H new ATOM 0 HG23 VAL A 34 27.423 8.161 -25.435 1.00 43.20 H new ATOM 559 N LEU A 35 26.992 7.721 -21.044 1.00 4.30 N ATOM 560 CA LEU A 35 27.887 8.263 -20.026 1.00 72.54 C ATOM 561 C LEU A 35 29.000 7.273 -19.698 1.00 44.23 C ATOM 562 O LEU A 35 30.012 7.638 -19.098 1.00 23.42 O ATOM 563 CB LEU A 35 27.102 8.603 -18.759 1.00 12.45 C ATOM 564 CG LEU A 35 27.452 9.933 -18.089 1.00 60.04 C ATOM 565 CD1 LEU A 35 26.695 10.087 -16.780 1.00 12.14 C ATOM 566 CD2 LEU A 35 28.952 10.033 -17.855 1.00 43.43 C ATOM 0 H LEU A 35 26.035 7.569 -20.727 1.00 4.30 H new ATOM 0 HA LEU A 35 28.339 9.173 -20.421 1.00 72.54 H new ATOM 0 HB2 LEU A 35 26.040 8.611 -19.005 1.00 12.45 H new ATOM 0 HB3 LEU A 35 27.255 7.803 -18.035 1.00 12.45 H new ATOM 0 HG LEU A 35 27.153 10.743 -18.754 1.00 60.04 H new ATOM 0 HD11 LEU A 35 26.957 11.039 -16.318 1.00 12.14 H new ATOM 0 HD12 LEU A 35 25.623 10.061 -16.974 1.00 12.14 H new ATOM 0 HD13 LEU A 35 26.962 9.272 -16.107 1.00 12.14 H new ATOM 0 HD21 LEU A 35 29.183 10.985 -17.378 1.00 43.43 H new ATOM 0 HD22 LEU A 35 29.275 9.216 -17.210 1.00 43.43 H new ATOM 0 HD23 LEU A 35 29.474 9.969 -18.810 1.00 43.43 H new ATOM 578 N LEU A 36 28.808 6.021 -20.098 1.00 25.24 N ATOM 579 CA LEU A 36 29.798 4.978 -19.848 1.00 51.22 C ATOM 580 C LEU A 36 30.577 4.652 -21.118 1.00 43.11 C ATOM 581 O LEU A 36 31.005 3.516 -21.320 1.00 50.01 O ATOM 582 CB LEU A 36 29.115 3.716 -19.317 1.00 42.51 C ATOM 583 CG LEU A 36 28.623 3.778 -17.871 1.00 20.13 C ATOM 584 CD1 LEU A 36 27.393 4.665 -17.763 1.00 11.44 C ATOM 585 CD2 LEU A 36 28.322 2.380 -17.350 1.00 51.00 C ATOM 0 H LEU A 36 27.977 5.703 -20.596 1.00 25.24 H new ATOM 0 HA LEU A 36 30.498 5.347 -19.099 1.00 51.22 H new ATOM 0 HB2 LEU A 36 28.264 3.489 -19.960 1.00 42.51 H new ATOM 0 HB3 LEU A 36 29.813 2.884 -19.407 1.00 42.51 H new ATOM 0 HG LEU A 36 29.413 4.211 -17.257 1.00 20.13 H new ATOM 0 HD11 LEU A 36 27.057 4.697 -16.726 1.00 11.44 H new ATOM 0 HD12 LEU A 36 27.641 5.673 -18.095 1.00 11.44 H new ATOM 0 HD13 LEU A 36 26.598 4.262 -18.390 1.00 11.44 H new ATOM 0 HD21 LEU A 36 27.973 2.443 -16.319 1.00 51.00 H new ATOM 0 HD22 LEU A 36 27.550 1.920 -17.967 1.00 51.00 H new ATOM 0 HD23 LEU A 36 29.227 1.774 -17.390 1.00 51.00 H new ATOM 597 N GLN A 37 30.759 5.657 -21.969 1.00 24.11 N ATOM 598 CA GLN A 37 31.489 5.477 -23.218 1.00 61.43 C ATOM 599 C GLN A 37 32.880 6.096 -23.131 1.00 22.55 C ATOM 600 O GLN A 37 33.883 5.385 -23.059 1.00 43.14 O ATOM 601 CB GLN A 37 30.714 6.099 -24.381 1.00 34.32 C ATOM 602 CG GLN A 37 29.297 5.565 -24.522 1.00 1.32 C ATOM 603 CD GLN A 37 29.256 4.162 -25.095 1.00 2.41 C ATOM 604 OE1 GLN A 37 30.154 3.754 -25.833 1.00 14.42 O ATOM 605 NE2 GLN A 37 28.212 3.415 -24.758 1.00 13.15 N ATOM 0 H GLN A 37 30.411 6.604 -21.816 1.00 24.11 H new ATOM 0 HA GLN A 37 31.598 4.407 -23.394 1.00 61.43 H new ATOM 0 HB2 GLN A 37 30.674 7.180 -24.244 1.00 34.32 H new ATOM 0 HB3 GLN A 37 31.257 5.915 -25.308 1.00 34.32 H new ATOM 0 HG2 GLN A 37 28.813 5.569 -23.546 1.00 1.32 H new ATOM 0 HG3 GLN A 37 28.724 6.233 -25.165 1.00 1.32 H new ATOM 0 HE21 GLN A 37 27.491 3.794 -24.144 1.00 13.15 H new ATOM 0 HE22 GLN A 37 28.131 2.462 -25.113 1.00 13.15 H new ATOM 614 N TYR A 38 32.933 7.423 -23.136 1.00 61.35 N ATOM 615 CA TYR A 38 34.202 8.137 -23.060 1.00 54.54 C ATOM 616 C TYR A 38 33.987 9.583 -22.622 1.00 21.13 C ATOM 617 O TYR A 38 32.899 10.143 -22.752 1.00 13.31 O ATOM 618 CB TYR A 38 34.912 8.104 -24.415 1.00 30.14 C ATOM 619 CG TYR A 38 35.795 6.891 -24.605 1.00 52.45 C ATOM 620 CD1 TYR A 38 36.744 6.542 -23.653 1.00 2.22 C ATOM 621 CD2 TYR A 38 35.680 6.095 -25.738 1.00 45.45 C ATOM 622 CE1 TYR A 38 37.554 5.436 -23.823 1.00 74.30 C ATOM 623 CE2 TYR A 38 36.484 4.986 -25.916 1.00 45.33 C ATOM 624 CZ TYR A 38 37.420 4.661 -24.956 1.00 75.31 C ATOM 625 OH TYR A 38 38.223 3.557 -25.130 1.00 43.43 O ATOM 0 H TYR A 38 32.112 8.026 -23.192 1.00 61.35 H new ATOM 0 HA TYR A 38 34.826 7.639 -22.318 1.00 54.54 H new ATOM 0 HB2 TYR A 38 34.165 8.127 -25.208 1.00 30.14 H new ATOM 0 HB3 TYR A 38 35.517 9.004 -24.521 1.00 30.14 H new ATOM 0 HD1 TYR A 38 36.851 7.146 -22.764 1.00 2.22 H new ATOM 0 HD2 TYR A 38 34.950 6.348 -26.492 1.00 45.45 H new ATOM 0 HE1 TYR A 38 38.288 5.180 -23.073 1.00 74.30 H new ATOM 0 HE2 TYR A 38 36.380 4.377 -26.802 1.00 45.33 H new ATOM 0 HH TYR A 38 38.000 3.121 -25.979 1.00 43.43 H new ATOM 635 N PRO A 39 35.051 10.202 -22.089 1.00 11.40 N ATOM 636 CA PRO A 39 35.006 11.591 -21.621 1.00 30.21 C ATOM 637 C PRO A 39 34.878 12.586 -22.769 1.00 64.12 C ATOM 638 O PRO A 39 35.865 13.185 -23.195 1.00 62.01 O ATOM 639 CB PRO A 39 36.348 11.768 -20.906 1.00 62.25 C ATOM 640 CG PRO A 39 37.250 10.767 -21.542 1.00 23.34 C ATOM 641 CD PRO A 39 36.380 9.595 -21.903 1.00 55.32 C ATOM 0 HA PRO A 39 34.141 11.779 -20.985 1.00 30.21 H new ATOM 0 HB2 PRO A 39 36.731 12.781 -21.029 1.00 62.25 H new ATOM 0 HB3 PRO A 39 36.252 11.591 -19.835 1.00 62.25 H new ATOM 0 HG2 PRO A 39 37.732 11.183 -22.427 1.00 23.34 H new ATOM 0 HG3 PRO A 39 38.044 10.467 -20.858 1.00 23.34 H new ATOM 0 HD2 PRO A 39 36.727 9.101 -22.811 1.00 55.32 H new ATOM 0 HD3 PRO A 39 36.371 8.843 -21.114 1.00 55.32 H new ATOM 649 N GLU A 40 33.657 12.757 -23.265 1.00 71.12 N ATOM 650 CA GLU A 40 33.402 13.680 -24.365 1.00 21.01 C ATOM 651 C GLU A 40 31.907 13.788 -24.649 1.00 13.21 C ATOM 652 O GLU A 40 31.405 14.858 -24.998 1.00 22.21 O ATOM 653 CB GLU A 40 34.140 13.223 -25.625 1.00 71.11 C ATOM 654 CG GLU A 40 34.100 11.720 -25.843 1.00 33.35 C ATOM 655 CD GLU A 40 35.481 11.094 -25.847 1.00 72.32 C ATOM 656 OE1 GLU A 40 36.172 11.171 -24.810 1.00 15.31 O ATOM 657 OE2 GLU A 40 35.870 10.526 -26.889 1.00 65.20 O ATOM 0 H GLU A 40 32.829 12.269 -22.923 1.00 71.12 H new ATOM 0 HA GLU A 40 33.771 14.663 -24.073 1.00 21.01 H new ATOM 0 HB2 GLU A 40 33.703 13.719 -26.492 1.00 71.11 H new ATOM 0 HB3 GLU A 40 35.180 13.545 -25.564 1.00 71.11 H new ATOM 0 HG2 GLU A 40 33.499 11.259 -25.060 1.00 33.35 H new ATOM 0 HG3 GLU A 40 33.606 11.507 -26.791 1.00 33.35 H new ATOM 664 N LEU A 41 31.200 12.674 -24.498 1.00 33.34 N ATOM 665 CA LEU A 41 29.761 12.642 -24.738 1.00 22.40 C ATOM 666 C LEU A 41 28.990 12.586 -23.423 1.00 5.21 C ATOM 667 O LEU A 41 27.770 12.432 -23.414 1.00 14.54 O ATOM 668 CB LEU A 41 29.396 11.437 -25.607 1.00 43.13 C ATOM 669 CG LEU A 41 30.012 10.100 -25.194 1.00 30.20 C ATOM 670 CD1 LEU A 41 31.433 9.980 -25.723 1.00 13.10 C ATOM 671 CD2 LEU A 41 29.990 9.948 -23.680 1.00 20.10 C ATOM 0 H LEU A 41 31.599 11.781 -24.210 1.00 33.34 H new ATOM 0 HA LEU A 41 29.485 13.558 -25.261 1.00 22.40 H new ATOM 0 HB2 LEU A 41 28.311 11.330 -25.607 1.00 43.13 H new ATOM 0 HB3 LEU A 41 29.695 11.651 -26.633 1.00 43.13 H new ATOM 0 HG LEU A 41 29.416 9.298 -25.629 1.00 30.20 H new ATOM 0 HD11 LEU A 41 31.855 9.022 -25.419 1.00 13.10 H new ATOM 0 HD12 LEU A 41 31.423 10.043 -26.811 1.00 13.10 H new ATOM 0 HD13 LEU A 41 32.041 10.789 -25.319 1.00 13.10 H new ATOM 0 HD21 LEU A 41 30.432 8.991 -23.404 1.00 20.10 H new ATOM 0 HD22 LEU A 41 30.562 10.757 -23.225 1.00 20.10 H new ATOM 0 HD23 LEU A 41 28.960 9.988 -23.325 1.00 20.10 H new ATOM 683 N ALA A 42 29.712 12.715 -22.314 1.00 61.52 N ATOM 684 CA ALA A 42 29.096 12.683 -20.994 1.00 12.43 C ATOM 685 C ALA A 42 28.214 13.907 -20.770 1.00 50.34 C ATOM 686 O ALA A 42 27.238 13.852 -20.023 1.00 22.22 O ATOM 687 CB ALA A 42 30.165 12.597 -19.914 1.00 74.53 C ATOM 0 H ALA A 42 30.724 12.843 -22.304 1.00 61.52 H new ATOM 0 HA ALA A 42 28.465 11.796 -20.937 1.00 12.43 H new ATOM 0 HB1 ALA A 42 29.690 12.574 -18.933 1.00 74.53 H new ATOM 0 HB2 ALA A 42 30.752 11.689 -20.055 1.00 74.53 H new ATOM 0 HB3 ALA A 42 30.820 13.466 -19.980 1.00 74.53 H new ATOM 693 N GLU A 43 28.565 15.011 -21.423 1.00 71.12 N ATOM 694 CA GLU A 43 27.805 16.249 -21.293 1.00 70.44 C ATOM 695 C GLU A 43 26.479 16.154 -22.043 1.00 43.34 C ATOM 696 O GLU A 43 25.418 16.434 -21.487 1.00 33.44 O ATOM 697 CB GLU A 43 28.620 17.431 -21.822 1.00 55.11 C ATOM 698 CG GLU A 43 28.454 18.700 -21.002 1.00 72.51 C ATOM 699 CD GLU A 43 29.571 19.697 -21.239 1.00 12.43 C ATOM 700 OE1 GLU A 43 30.143 19.696 -22.349 1.00 13.33 O ATOM 701 OE2 GLU A 43 29.872 20.480 -20.313 1.00 65.31 O ATOM 0 H GLU A 43 29.370 15.073 -22.047 1.00 71.12 H new ATOM 0 HA GLU A 43 27.594 16.407 -20.235 1.00 70.44 H new ATOM 0 HB2 GLU A 43 29.674 17.155 -21.840 1.00 55.11 H new ATOM 0 HB3 GLU A 43 28.326 17.633 -22.852 1.00 55.11 H new ATOM 0 HG2 GLU A 43 27.499 19.165 -21.248 1.00 72.51 H new ATOM 0 HG3 GLU A 43 28.420 18.442 -19.943 1.00 72.51 H new ATOM 708 N SER A 44 26.550 15.759 -23.311 1.00 11.15 N ATOM 709 CA SER A 44 25.357 15.632 -24.139 1.00 73.11 C ATOM 710 C SER A 44 24.366 14.652 -23.518 1.00 12.12 C ATOM 711 O SER A 44 23.156 14.768 -23.713 1.00 53.11 O ATOM 712 CB SER A 44 25.735 15.168 -25.547 1.00 51.21 C ATOM 713 OG SER A 44 25.394 13.807 -25.745 1.00 20.04 O ATOM 0 H SER A 44 27.421 15.522 -23.786 1.00 11.15 H new ATOM 0 HA SER A 44 24.882 16.611 -24.201 1.00 73.11 H new ATOM 0 HB2 SER A 44 25.224 15.785 -26.286 1.00 51.21 H new ATOM 0 HB3 SER A 44 26.805 15.304 -25.703 1.00 51.21 H new ATOM 0 HG SER A 44 25.644 13.536 -26.653 1.00 20.04 H new ATOM 719 N TYR A 45 24.888 13.688 -22.769 1.00 23.42 N ATOM 720 CA TYR A 45 24.051 12.685 -22.120 1.00 42.31 C ATOM 721 C TYR A 45 22.932 13.345 -21.320 1.00 5.23 C ATOM 722 O TYR A 45 21.819 12.824 -21.239 1.00 4.53 O ATOM 723 CB TYR A 45 24.897 11.801 -21.202 1.00 73.34 C ATOM 724 CG TYR A 45 24.077 10.910 -20.297 1.00 30.51 C ATOM 725 CD1 TYR A 45 22.982 10.208 -20.786 1.00 62.35 C ATOM 726 CD2 TYR A 45 24.396 10.770 -18.952 1.00 3.10 C ATOM 727 CE1 TYR A 45 22.230 9.393 -19.963 1.00 33.31 C ATOM 728 CE2 TYR A 45 23.650 9.956 -18.121 1.00 45.35 C ATOM 729 CZ TYR A 45 22.568 9.270 -18.631 1.00 61.04 C ATOM 730 OH TYR A 45 21.822 8.459 -17.807 1.00 12.50 O ATOM 0 H TYR A 45 25.887 13.579 -22.596 1.00 23.42 H new ATOM 0 HA TYR A 45 23.602 12.066 -22.896 1.00 42.31 H new ATOM 0 HB2 TYR A 45 25.553 11.180 -21.812 1.00 73.34 H new ATOM 0 HB3 TYR A 45 25.538 12.436 -20.590 1.00 73.34 H new ATOM 0 HD1 TYR A 45 22.714 10.301 -21.828 1.00 62.35 H new ATOM 0 HD2 TYR A 45 25.242 11.307 -18.549 1.00 3.10 H new ATOM 0 HE1 TYR A 45 21.382 8.855 -20.360 1.00 33.31 H new ATOM 0 HE2 TYR A 45 23.913 9.858 -17.078 1.00 45.35 H new ATOM 0 HH TYR A 45 22.131 8.559 -16.882 1.00 12.50 H new ATOM 740 N THR A 46 23.236 14.497 -20.729 1.00 22.21 N ATOM 741 CA THR A 46 22.259 15.229 -19.934 1.00 55.32 C ATOM 742 C THR A 46 21.196 15.867 -20.821 1.00 53.24 C ATOM 743 O THR A 46 20.035 15.990 -20.428 1.00 45.20 O ATOM 744 CB THR A 46 22.931 16.327 -19.088 1.00 61.21 C ATOM 745 OG1 THR A 46 23.353 17.405 -19.931 1.00 24.15 O ATOM 746 CG2 THR A 46 24.127 15.770 -18.331 1.00 20.41 C ATOM 0 H THR A 46 24.152 14.943 -20.787 1.00 22.21 H new ATOM 0 HA THR A 46 21.788 14.506 -19.269 1.00 55.32 H new ATOM 0 HB THR A 46 22.203 16.695 -18.365 1.00 61.21 H new ATOM 0 HG1 THR A 46 24.034 17.083 -20.557 1.00 24.15 H new ATOM 0 HG21 THR A 46 24.586 16.563 -17.741 1.00 20.41 H new ATOM 0 HG22 THR A 46 23.798 14.969 -17.669 1.00 20.41 H new ATOM 0 HG23 THR A 46 24.856 15.378 -19.040 1.00 20.41 H new ATOM 754 N LYS A 47 21.598 16.272 -22.021 1.00 62.43 N ATOM 755 CA LYS A 47 20.680 16.896 -22.967 1.00 21.33 C ATOM 756 C LYS A 47 19.654 15.888 -23.474 1.00 73.03 C ATOM 757 O LYS A 47 18.529 16.252 -23.817 1.00 35.33 O ATOM 758 CB LYS A 47 21.455 17.489 -24.146 1.00 32.51 C ATOM 759 CG LYS A 47 20.565 17.953 -25.286 1.00 64.53 C ATOM 760 CD LYS A 47 20.376 16.860 -26.326 1.00 10.44 C ATOM 761 CE LYS A 47 21.091 17.197 -27.625 1.00 40.51 C ATOM 762 NZ LYS A 47 20.329 18.187 -28.437 1.00 23.42 N ATOM 0 H LYS A 47 22.555 16.179 -22.362 1.00 62.43 H new ATOM 0 HA LYS A 47 20.152 17.696 -22.449 1.00 21.33 H new ATOM 0 HB2 LYS A 47 22.048 18.332 -23.793 1.00 32.51 H new ATOM 0 HB3 LYS A 47 22.154 16.743 -24.523 1.00 32.51 H new ATOM 0 HG2 LYS A 47 19.594 18.253 -24.892 1.00 64.53 H new ATOM 0 HG3 LYS A 47 21.004 18.833 -25.757 1.00 64.53 H new ATOM 0 HD2 LYS A 47 20.755 15.915 -25.936 1.00 10.44 H new ATOM 0 HD3 LYS A 47 19.312 16.721 -26.520 1.00 10.44 H new ATOM 0 HE2 LYS A 47 22.081 17.595 -27.402 1.00 40.51 H new ATOM 0 HE3 LYS A 47 21.237 16.286 -28.206 1.00 40.51 H new ATOM 0 HZ1 LYS A 47 20.849 18.390 -29.314 1.00 23.42 H new ATOM 0 HZ2 LYS A 47 19.394 17.797 -28.672 1.00 23.42 H new ATOM 0 HZ3 LYS A 47 20.211 19.065 -27.893 1.00 23.42 H new ATOM 776 N VAL A 48 20.048 14.619 -23.519 1.00 44.40 N ATOM 777 CA VAL A 48 19.162 13.559 -23.982 1.00 73.22 C ATOM 778 C VAL A 48 18.509 12.837 -22.809 1.00 32.21 C ATOM 779 O VAL A 48 18.074 11.692 -22.936 1.00 35.41 O ATOM 780 CB VAL A 48 19.918 12.532 -24.846 1.00 1.01 C ATOM 781 CG1 VAL A 48 18.944 11.713 -25.679 1.00 15.24 C ATOM 782 CG2 VAL A 48 20.936 13.231 -25.735 1.00 35.10 C ATOM 0 H VAL A 48 20.976 14.301 -23.240 1.00 44.40 H new ATOM 0 HA VAL A 48 18.390 14.034 -24.588 1.00 73.22 H new ATOM 0 HB VAL A 48 20.453 11.851 -24.184 1.00 1.01 H new ATOM 0 HG11 VAL A 48 19.497 10.993 -26.282 1.00 15.24 H new ATOM 0 HG12 VAL A 48 18.258 11.182 -25.019 1.00 15.24 H new ATOM 0 HG13 VAL A 48 18.378 12.376 -26.333 1.00 15.24 H new ATOM 0 HG21 VAL A 48 21.461 12.491 -26.339 1.00 35.10 H new ATOM 0 HG22 VAL A 48 20.424 13.936 -26.390 1.00 35.10 H new ATOM 0 HG23 VAL A 48 21.653 13.768 -25.114 1.00 35.10 H new ATOM 792 N CYS A 49 18.444 13.513 -21.668 1.00 14.34 N ATOM 793 CA CYS A 49 17.843 12.936 -20.470 1.00 5.11 C ATOM 794 C CYS A 49 18.620 11.706 -20.012 1.00 35.41 C ATOM 795 O CYS A 49 19.380 11.103 -20.770 1.00 74.11 O ATOM 796 CB CYS A 49 16.384 12.564 -20.734 1.00 53.31 C ATOM 797 SG CYS A 49 15.189 13.749 -20.073 1.00 12.14 S ATOM 0 H CYS A 49 18.800 14.461 -21.546 1.00 14.34 H new ATOM 0 HA CYS A 49 17.881 13.684 -19.678 1.00 5.11 H new ATOM 0 HB2 CYS A 49 16.232 12.473 -21.810 1.00 53.31 H new ATOM 0 HB3 CYS A 49 16.186 11.584 -20.300 1.00 53.31 H new ATOM 0 HG CYS A 49 13.983 13.349 -20.348 1.00 12.14 H new ATOM 803 N PRO A 50 18.426 11.323 -18.741 1.00 4.21 N ATOM 804 CA PRO A 50 19.100 10.162 -18.152 1.00 62.15 C ATOM 805 C PRO A 50 18.594 8.844 -18.729 1.00 13.21 C ATOM 806 O PRO A 50 17.911 8.080 -18.048 1.00 52.14 O ATOM 807 CB PRO A 50 18.751 10.265 -16.666 1.00 32.43 C ATOM 808 CG PRO A 50 17.473 11.030 -16.629 1.00 30.41 C ATOM 809 CD PRO A 50 17.535 11.995 -17.780 1.00 72.34 C ATOM 0 HA PRO A 50 20.171 10.167 -18.353 1.00 62.15 H new ATOM 0 HB2 PRO A 50 18.635 9.278 -16.217 1.00 32.43 H new ATOM 0 HB3 PRO A 50 19.536 10.778 -16.110 1.00 32.43 H new ATOM 0 HG2 PRO A 50 16.616 10.363 -16.725 1.00 30.41 H new ATOM 0 HG3 PRO A 50 17.362 11.558 -15.682 1.00 30.41 H new ATOM 0 HD2 PRO A 50 16.548 12.176 -18.206 1.00 72.34 H new ATOM 0 HD3 PRO A 50 17.932 12.962 -17.472 1.00 72.34 H new ATOM 817 N ASN A 51 18.934 8.585 -19.987 1.00 75.53 N ATOM 818 CA ASN A 51 18.513 7.358 -20.655 1.00 54.32 C ATOM 819 C ASN A 51 16.996 7.319 -20.814 1.00 73.51 C ATOM 820 O ASN A 51 16.257 7.762 -19.934 1.00 65.31 O ATOM 821 CB ASN A 51 18.986 6.135 -19.867 1.00 43.33 C ATOM 822 CG ASN A 51 20.474 6.176 -19.576 1.00 60.22 C ATOM 823 OD1 ASN A 51 20.901 5.982 -18.438 1.00 14.13 O ATOM 824 ND2 ASN A 51 21.272 6.429 -20.607 1.00 72.02 N ATOM 0 H ASN A 51 19.499 9.207 -20.564 1.00 75.53 H new ATOM 0 HA ASN A 51 18.966 7.340 -21.646 1.00 54.32 H new ATOM 0 HB2 ASN A 51 18.436 6.076 -18.928 1.00 43.33 H new ATOM 0 HB3 ASN A 51 18.753 5.231 -20.430 1.00 43.33 H new ATOM 0 HD21 ASN A 51 22.282 6.469 -20.472 1.00 72.02 H new ATOM 0 HD22 ASN A 51 20.875 6.584 -21.534 1.00 72.02 H new ATOM 831 N ARG A 52 16.538 6.784 -21.942 1.00 1.24 N ATOM 832 CA ARG A 52 15.110 6.687 -22.216 1.00 74.13 C ATOM 833 C ARG A 52 14.788 5.402 -22.973 1.00 32.51 C ATOM 834 O ARG A 52 13.780 5.320 -23.677 1.00 25.52 O ATOM 835 CB ARG A 52 14.640 7.898 -23.024 1.00 43.23 C ATOM 836 CG ARG A 52 15.161 9.224 -22.493 1.00 33.42 C ATOM 837 CD ARG A 52 14.251 10.377 -22.885 1.00 51.15 C ATOM 838 NE ARG A 52 14.895 11.284 -23.832 1.00 14.21 N ATOM 839 CZ ARG A 52 14.966 11.054 -25.138 1.00 64.31 C ATOM 840 NH1 ARG A 52 14.437 9.952 -25.650 1.00 74.52 N ATOM 841 NH2 ARG A 52 15.569 11.927 -25.935 1.00 53.11 N ATOM 0 H ARG A 52 17.136 6.412 -22.680 1.00 1.24 H new ATOM 0 HA ARG A 52 14.583 6.669 -21.262 1.00 74.13 H new ATOM 0 HB2 ARG A 52 14.960 7.780 -24.059 1.00 43.23 H new ATOM 0 HB3 ARG A 52 13.550 7.921 -23.028 1.00 43.23 H new ATOM 0 HG2 ARG A 52 15.242 9.176 -21.407 1.00 33.42 H new ATOM 0 HG3 ARG A 52 16.164 9.403 -22.880 1.00 33.42 H new ATOM 0 HD2 ARG A 52 13.335 9.983 -23.326 1.00 51.15 H new ATOM 0 HD3 ARG A 52 13.962 10.931 -21.992 1.00 51.15 H new ATOM 0 HE ARG A 52 15.313 12.141 -23.470 1.00 14.21 H new ATOM 0 HH11 ARG A 52 13.974 9.278 -25.041 1.00 74.52 H new ATOM 0 HH12 ARG A 52 14.493 9.778 -26.653 1.00 74.52 H new ATOM 0 HH21 ARG A 52 15.979 12.776 -25.545 1.00 53.11 H new ATOM 0 HH22 ARG A 52 15.623 11.749 -26.938 1.00 53.11 H new ATOM 855 N CYS A 53 15.649 4.402 -22.823 1.00 65.23 N ATOM 856 CA CYS A 53 15.458 3.120 -23.494 1.00 11.54 C ATOM 857 C CYS A 53 14.723 2.138 -22.588 1.00 21.31 C ATOM 858 O CYS A 53 13.551 1.832 -22.809 1.00 22.44 O ATOM 859 CB CYS A 53 16.807 2.535 -23.914 1.00 75.32 C ATOM 860 SG CYS A 53 17.777 3.615 -24.991 1.00 2.41 S ATOM 0 H CYS A 53 16.486 4.453 -22.243 1.00 65.23 H new ATOM 0 HA CYS A 53 14.852 3.289 -24.384 1.00 11.54 H new ATOM 0 HB2 CYS A 53 17.389 2.314 -23.019 1.00 75.32 H new ATOM 0 HB3 CYS A 53 16.637 1.588 -24.426 1.00 75.32 H new ATOM 0 HG CYS A 53 19.040 3.335 -24.862 1.00 2.41 H new ATOM 866 N ASP A 54 15.420 1.645 -21.570 1.00 13.55 N ATOM 867 CA ASP A 54 14.834 0.696 -20.630 1.00 51.22 C ATOM 868 C ASP A 54 15.840 0.307 -19.552 1.00 5.21 C ATOM 869 O ASP A 54 15.746 0.755 -18.408 1.00 53.24 O ATOM 870 CB ASP A 54 14.351 -0.553 -21.369 1.00 12.11 C ATOM 871 CG ASP A 54 12.846 -0.569 -21.556 1.00 65.22 C ATOM 872 OD1 ASP A 54 12.122 -0.526 -20.540 1.00 60.12 O ATOM 873 OD2 ASP A 54 12.394 -0.626 -22.719 1.00 15.02 O ATOM 0 H ASP A 54 16.391 1.887 -21.375 1.00 13.55 H new ATOM 0 HA ASP A 54 13.982 1.177 -20.149 1.00 51.22 H new ATOM 0 HB2 ASP A 54 14.836 -0.605 -22.344 1.00 12.11 H new ATOM 0 HB3 ASP A 54 14.655 -1.440 -20.814 1.00 12.11 H new ATOM 878 N LEU A 55 16.803 -0.530 -19.923 1.00 2.41 N ATOM 879 CA LEU A 55 17.828 -0.980 -18.987 1.00 74.42 C ATOM 880 C LEU A 55 18.731 0.176 -18.570 1.00 61.34 C ATOM 881 O LEU A 55 19.226 0.215 -17.444 1.00 62.35 O ATOM 882 CB LEU A 55 18.665 -2.096 -19.616 1.00 13.15 C ATOM 883 CG LEU A 55 19.463 -1.715 -20.863 1.00 13.10 C ATOM 884 CD1 LEU A 55 20.954 -1.881 -20.614 1.00 52.31 C ATOM 885 CD2 LEU A 55 19.023 -2.553 -22.054 1.00 74.13 C ATOM 0 H LEU A 55 16.896 -0.911 -20.865 1.00 2.41 H new ATOM 0 HA LEU A 55 17.329 -1.365 -18.097 1.00 74.42 H new ATOM 0 HB2 LEU A 55 19.360 -2.469 -18.864 1.00 13.15 H new ATOM 0 HB3 LEU A 55 18.000 -2.921 -19.873 1.00 13.15 H new ATOM 0 HG LEU A 55 19.268 -0.667 -21.090 1.00 13.10 H new ATOM 0 HD11 LEU A 55 21.506 -1.605 -21.513 1.00 52.31 H new ATOM 0 HD12 LEU A 55 21.259 -1.237 -19.789 1.00 52.31 H new ATOM 0 HD13 LEU A 55 21.167 -2.920 -20.362 1.00 52.31 H new ATOM 0 HD21 LEU A 55 19.602 -2.268 -22.933 1.00 74.13 H new ATOM 0 HD22 LEU A 55 19.188 -3.608 -21.837 1.00 74.13 H new ATOM 0 HD23 LEU A 55 17.964 -2.384 -22.247 1.00 74.13 H new ATOM 897 N ALA A 56 18.940 1.117 -19.486 1.00 34.45 N ATOM 898 CA ALA A 56 19.780 2.276 -19.212 1.00 34.14 C ATOM 899 C ALA A 56 19.091 3.238 -18.250 1.00 32.14 C ATOM 900 O ALA A 56 19.743 3.888 -17.432 1.00 14.14 O ATOM 901 CB ALA A 56 20.136 2.988 -20.508 1.00 72.22 C ATOM 0 H ALA A 56 18.539 1.099 -20.424 1.00 34.45 H new ATOM 0 HA ALA A 56 20.697 1.925 -18.739 1.00 34.14 H new ATOM 0 HB1 ALA A 56 20.764 3.852 -20.288 1.00 72.22 H new ATOM 0 HB2 ALA A 56 20.676 2.304 -21.162 1.00 72.22 H new ATOM 0 HB3 ALA A 56 19.223 3.319 -21.004 1.00 72.22 H new ATOM 907 N THR A 57 17.768 3.325 -18.353 1.00 2.21 N ATOM 908 CA THR A 57 16.991 4.209 -17.494 1.00 1.35 C ATOM 909 C THR A 57 16.868 3.639 -16.085 1.00 73.55 C ATOM 910 O THR A 57 16.938 4.372 -15.100 1.00 1.01 O ATOM 911 CB THR A 57 15.580 4.449 -18.063 1.00 43.35 C ATOM 912 OG1 THR A 57 15.672 5.041 -19.364 1.00 74.03 O ATOM 913 CG2 THR A 57 14.772 5.354 -17.145 1.00 63.40 C ATOM 0 H THR A 57 17.213 2.793 -19.023 1.00 2.21 H new ATOM 0 HA THR A 57 17.525 5.159 -17.454 1.00 1.35 H new ATOM 0 HB THR A 57 15.073 3.487 -18.136 1.00 43.35 H new ATOM 0 HG1 THR A 57 15.110 4.540 -19.992 1.00 74.03 H new ATOM 0 HG21 THR A 57 13.779 5.509 -17.568 1.00 63.40 H new ATOM 0 HG22 THR A 57 14.680 4.888 -16.164 1.00 63.40 H new ATOM 0 HG23 THR A 57 15.277 6.315 -17.044 1.00 63.40 H new ATOM 921 N ALA A 58 16.684 2.325 -15.998 1.00 52.24 N ATOM 922 CA ALA A 58 16.553 1.656 -14.710 1.00 64.11 C ATOM 923 C ALA A 58 17.897 1.579 -13.993 1.00 11.43 C ATOM 924 O ALA A 58 18.006 1.938 -12.821 1.00 25.34 O ATOM 925 CB ALA A 58 15.972 0.262 -14.896 1.00 1.11 C ATOM 0 H ALA A 58 16.622 1.703 -16.804 1.00 52.24 H new ATOM 0 HA ALA A 58 15.873 2.242 -14.091 1.00 64.11 H new ATOM 0 HB1 ALA A 58 15.880 -0.226 -13.926 1.00 1.11 H new ATOM 0 HB2 ALA A 58 14.988 0.337 -15.360 1.00 1.11 H new ATOM 0 HB3 ALA A 58 16.631 -0.325 -15.536 1.00 1.11 H new ATOM 931 N ALA A 59 18.916 1.110 -14.704 1.00 64.41 N ATOM 932 CA ALA A 59 20.253 0.987 -14.135 1.00 52.52 C ATOM 933 C ALA A 59 20.803 2.350 -13.728 1.00 14.22 C ATOM 934 O ALA A 59 21.617 2.453 -12.810 1.00 32.40 O ATOM 935 CB ALA A 59 21.189 0.314 -15.127 1.00 62.52 C ATOM 0 H ALA A 59 18.842 0.809 -15.676 1.00 64.41 H new ATOM 0 HA ALA A 59 20.185 0.369 -13.240 1.00 52.52 H new ATOM 0 HB1 ALA A 59 22.183 0.229 -14.689 1.00 62.52 H new ATOM 0 HB2 ALA A 59 20.812 -0.680 -15.366 1.00 62.52 H new ATOM 0 HB3 ALA A 59 21.244 0.910 -16.038 1.00 62.52 H new ATOM 941 N ASP A 60 20.353 3.394 -14.416 1.00 64.10 N ATOM 942 CA ASP A 60 20.800 4.751 -14.125 1.00 44.23 C ATOM 943 C ASP A 60 20.202 5.251 -12.814 1.00 41.32 C ATOM 944 O ASP A 60 20.914 5.768 -11.953 1.00 12.21 O ATOM 945 CB ASP A 60 20.417 5.693 -15.268 1.00 15.14 C ATOM 946 CG ASP A 60 20.468 7.152 -14.857 1.00 62.34 C ATOM 947 OD1 ASP A 60 21.568 7.742 -14.901 1.00 21.04 O ATOM 948 OD2 ASP A 60 19.409 7.703 -14.494 1.00 54.31 O ATOM 0 H ASP A 60 19.679 3.326 -15.179 1.00 64.10 H new ATOM 0 HA ASP A 60 21.885 4.736 -14.025 1.00 44.23 H new ATOM 0 HB2 ASP A 60 21.091 5.532 -16.109 1.00 15.14 H new ATOM 0 HB3 ASP A 60 19.412 5.451 -15.614 1.00 15.14 H new ATOM 953 N ARG A 61 18.890 5.095 -12.671 1.00 21.23 N ATOM 954 CA ARG A 61 18.196 5.533 -11.466 1.00 32.52 C ATOM 955 C ARG A 61 18.851 4.947 -10.218 1.00 14.31 C ATOM 956 O ARG A 61 18.932 5.605 -9.181 1.00 40.21 O ATOM 957 CB ARG A 61 16.723 5.122 -11.522 1.00 63.33 C ATOM 958 CG ARG A 61 15.785 6.266 -11.869 1.00 33.10 C ATOM 959 CD ARG A 61 16.163 6.916 -13.191 1.00 30.23 C ATOM 960 NE ARG A 61 16.898 8.163 -12.997 1.00 13.02 N ATOM 961 CZ ARG A 61 16.354 9.266 -12.493 1.00 62.53 C ATOM 962 NH1 ARG A 61 15.078 9.275 -12.134 1.00 52.15 N ATOM 963 NH2 ARG A 61 17.088 10.361 -12.347 1.00 51.54 N ATOM 0 H ARG A 61 18.287 4.669 -13.374 1.00 21.23 H new ATOM 0 HA ARG A 61 18.261 6.620 -11.414 1.00 32.52 H new ATOM 0 HB2 ARG A 61 16.604 4.329 -12.260 1.00 63.33 H new ATOM 0 HB3 ARG A 61 16.434 4.706 -10.557 1.00 63.33 H new ATOM 0 HG2 ARG A 61 14.762 5.895 -11.925 1.00 33.10 H new ATOM 0 HG3 ARG A 61 15.811 7.012 -11.075 1.00 33.10 H new ATOM 0 HD2 ARG A 61 16.770 6.224 -13.775 1.00 30.23 H new ATOM 0 HD3 ARG A 61 15.260 7.113 -13.769 1.00 30.23 H new ATOM 0 HE ARG A 61 17.882 8.189 -13.263 1.00 13.02 H new ATOM 0 HH11 ARG A 61 14.511 8.434 -12.244 1.00 52.15 H new ATOM 0 HH12 ARG A 61 14.663 10.123 -11.747 1.00 52.15 H new ATOM 0 HH21 ARG A 61 18.070 10.357 -12.622 1.00 51.54 H new ATOM 0 HH22 ARG A 61 16.670 11.207 -11.960 1.00 51.54 H new ATOM 977 N ALA A 62 19.315 3.707 -10.326 1.00 63.13 N ATOM 978 CA ALA A 62 19.964 3.034 -9.208 1.00 20.21 C ATOM 979 C ALA A 62 21.442 3.402 -9.128 1.00 15.34 C ATOM 980 O ALA A 62 21.961 3.692 -8.050 1.00 51.23 O ATOM 981 CB ALA A 62 19.800 1.526 -9.332 1.00 40.33 C ATOM 0 H ALA A 62 19.254 3.148 -11.177 1.00 63.13 H new ATOM 0 HA ALA A 62 19.483 3.367 -8.288 1.00 20.21 H new ATOM 0 HB1 ALA A 62 20.290 1.036 -8.490 1.00 40.33 H new ATOM 0 HB2 ALA A 62 18.740 1.274 -9.332 1.00 40.33 H new ATOM 0 HB3 ALA A 62 20.253 1.186 -10.263 1.00 40.33 H new ATOM 987 N ALA A 63 22.113 3.388 -10.274 1.00 43.22 N ATOM 988 CA ALA A 63 23.531 3.722 -10.333 1.00 51.22 C ATOM 989 C ALA A 63 23.800 5.088 -9.710 1.00 34.32 C ATOM 990 O ALA A 63 24.812 5.287 -9.038 1.00 41.13 O ATOM 991 CB ALA A 63 24.021 3.692 -11.773 1.00 72.34 C ATOM 0 H ALA A 63 21.698 3.149 -11.175 1.00 43.22 H new ATOM 0 HA ALA A 63 24.079 2.975 -9.758 1.00 51.22 H new ATOM 0 HB1 ALA A 63 25.081 3.943 -11.802 1.00 72.34 H new ATOM 0 HB2 ALA A 63 23.873 2.695 -12.187 1.00 72.34 H new ATOM 0 HB3 ALA A 63 23.460 4.417 -12.363 1.00 72.34 H new ATOM 997 N LYS A 64 22.887 6.026 -9.937 1.00 11.43 N ATOM 998 CA LYS A 64 23.024 7.374 -9.397 1.00 62.01 C ATOM 999 C LYS A 64 23.087 7.346 -7.873 1.00 45.24 C ATOM 1000 O LYS A 64 23.564 8.290 -7.245 1.00 11.41 O ATOM 1001 CB LYS A 64 21.855 8.250 -9.854 1.00 22.23 C ATOM 1002 CG LYS A 64 21.937 8.661 -11.314 1.00 31.53 C ATOM 1003 CD LYS A 64 23.136 9.556 -11.575 1.00 2.22 C ATOM 1004 CE LYS A 64 23.071 10.830 -10.747 1.00 0.44 C ATOM 1005 NZ LYS A 64 23.966 11.890 -11.288 1.00 54.44 N ATOM 0 H LYS A 64 22.044 5.878 -10.491 1.00 11.43 H new ATOM 0 HA LYS A 64 23.956 7.796 -9.774 1.00 62.01 H new ATOM 0 HB2 LYS A 64 20.922 7.711 -9.689 1.00 22.23 H new ATOM 0 HB3 LYS A 64 21.820 9.146 -9.234 1.00 22.23 H new ATOM 0 HG2 LYS A 64 22.003 7.771 -11.940 1.00 31.53 H new ATOM 0 HG3 LYS A 64 21.023 9.183 -11.598 1.00 31.53 H new ATOM 0 HD2 LYS A 64 24.053 9.015 -11.341 1.00 2.22 H new ATOM 0 HD3 LYS A 64 23.178 9.811 -12.634 1.00 2.22 H new ATOM 0 HE2 LYS A 64 22.045 11.197 -10.726 1.00 0.44 H new ATOM 0 HE3 LYS A 64 23.352 10.609 -9.717 1.00 0.44 H new ATOM 0 HZ1 LYS A 64 23.893 12.742 -10.696 1.00 54.44 H new ATOM 0 HZ2 LYS A 64 24.949 11.550 -11.285 1.00 54.44 H new ATOM 0 HZ3 LYS A 64 23.683 12.120 -12.262 1.00 54.44 H new ATOM 1019 N GLY A 65 22.605 6.256 -7.285 1.00 72.31 N ATOM 1020 CA GLY A 65 22.617 6.125 -5.840 1.00 4.32 C ATOM 1021 C GLY A 65 21.228 5.943 -5.262 1.00 0.11 C ATOM 1022 O GLY A 65 21.005 6.184 -4.076 1.00 25.32 O ATOM 0 H GLY A 65 22.206 5.461 -7.784 1.00 72.31 H new ATOM 0 HA2 GLY A 65 23.238 5.274 -5.561 1.00 4.32 H new ATOM 0 HA3 GLY A 65 23.076 7.011 -5.402 1.00 4.32 H new ATOM 1026 N ALA A 66 20.290 5.518 -6.102 1.00 43.34 N ATOM 1027 CA ALA A 66 18.915 5.304 -5.668 1.00 65.01 C ATOM 1028 C ALA A 66 18.378 6.523 -4.926 1.00 73.03 C ATOM 1029 O ALA A 66 18.132 6.470 -3.721 1.00 21.20 O ATOM 1030 CB ALA A 66 18.827 4.066 -4.787 1.00 41.44 C ATOM 0 H ALA A 66 20.457 5.315 -7.087 1.00 43.34 H new ATOM 0 HA ALA A 66 18.299 5.151 -6.554 1.00 65.01 H new ATOM 0 HB1 ALA A 66 17.795 3.918 -4.470 1.00 41.44 H new ATOM 0 HB2 ALA A 66 19.163 3.195 -5.349 1.00 41.44 H new ATOM 0 HB3 ALA A 66 19.461 4.198 -3.910 1.00 41.44 H new ATOM 1036 N TYR A 67 18.198 7.620 -5.653 1.00 73.03 N ATOM 1037 CA TYR A 67 17.692 8.854 -5.063 1.00 71.40 C ATOM 1038 C TYR A 67 16.441 8.587 -4.231 1.00 25.43 C ATOM 1039 O TYR A 67 15.357 8.370 -4.770 1.00 62.02 O ATOM 1040 CB TYR A 67 17.381 9.877 -6.157 1.00 22.04 C ATOM 1041 CG TYR A 67 18.169 11.161 -6.026 1.00 20.12 C ATOM 1042 CD1 TYR A 67 17.751 12.171 -5.168 1.00 23.23 C ATOM 1043 CD2 TYR A 67 19.330 11.365 -6.761 1.00 23.32 C ATOM 1044 CE1 TYR A 67 18.467 13.346 -5.045 1.00 63.13 C ATOM 1045 CE2 TYR A 67 20.053 12.536 -6.644 1.00 25.23 C ATOM 1046 CZ TYR A 67 19.618 13.523 -5.785 1.00 51.40 C ATOM 1047 OH TYR A 67 20.335 14.692 -5.667 1.00 13.13 O ATOM 0 H TYR A 67 18.395 7.680 -6.652 1.00 73.03 H new ATOM 0 HA TYR A 67 18.464 9.256 -4.407 1.00 71.40 H new ATOM 0 HB2 TYR A 67 17.588 9.431 -7.130 1.00 22.04 H new ATOM 0 HB3 TYR A 67 16.316 10.110 -6.133 1.00 22.04 H new ATOM 0 HD1 TYR A 67 16.851 12.035 -4.587 1.00 23.23 H new ATOM 0 HD2 TYR A 67 19.673 10.595 -7.436 1.00 23.32 H new ATOM 0 HE1 TYR A 67 18.128 14.121 -4.374 1.00 63.13 H new ATOM 0 HE2 TYR A 67 20.954 12.678 -7.222 1.00 25.23 H new ATOM 0 HH TYR A 67 21.118 14.656 -6.255 1.00 13.13 H new ATOM 1057 N GLY A 68 16.602 8.605 -2.911 1.00 31.51 N ATOM 1058 CA GLY A 68 15.479 8.364 -2.024 1.00 31.32 C ATOM 1059 C GLY A 68 14.518 9.535 -1.974 1.00 73.42 C ATOM 1060 O GLY A 68 14.414 10.303 -2.931 1.00 23.22 O ATOM 0 H GLY A 68 17.490 8.782 -2.441 1.00 31.51 H new ATOM 0 HA2 GLY A 68 14.944 7.473 -2.354 1.00 31.32 H new ATOM 0 HA3 GLY A 68 15.850 8.160 -1.020 1.00 31.32 H new ATOM 1064 N TYR A 69 13.811 9.671 -0.858 1.00 3.14 N ATOM 1065 CA TYR A 69 12.850 10.755 -0.689 1.00 22.53 C ATOM 1066 C TYR A 69 11.878 10.809 -1.863 1.00 63.45 C ATOM 1067 O TYR A 69 12.095 11.540 -2.830 1.00 14.44 O ATOM 1068 CB TYR A 69 13.578 12.093 -0.552 1.00 52.13 C ATOM 1069 CG TYR A 69 13.942 12.442 0.873 1.00 33.01 C ATOM 1070 CD1 TYR A 69 12.970 12.499 1.865 1.00 71.52 C ATOM 1071 CD2 TYR A 69 15.257 12.716 1.228 1.00 14.03 C ATOM 1072 CE1 TYR A 69 13.297 12.817 3.168 1.00 5.55 C ATOM 1073 CE2 TYR A 69 15.593 13.034 2.530 1.00 45.44 C ATOM 1074 CZ TYR A 69 14.611 13.084 3.496 1.00 55.11 C ATOM 1075 OH TYR A 69 14.942 13.402 4.793 1.00 11.31 O ATOM 0 H TYR A 69 13.885 9.044 -0.057 1.00 3.14 H new ATOM 0 HA TYR A 69 12.281 10.564 0.221 1.00 22.53 H new ATOM 0 HB2 TYR A 69 14.486 12.066 -1.154 1.00 52.13 H new ATOM 0 HB3 TYR A 69 12.948 12.883 -0.961 1.00 52.13 H new ATOM 0 HD1 TYR A 69 11.941 12.291 1.612 1.00 71.52 H new ATOM 0 HD2 TYR A 69 16.029 12.680 0.474 1.00 14.03 H new ATOM 0 HE1 TYR A 69 12.529 12.857 3.926 1.00 5.55 H new ATOM 0 HE2 TYR A 69 16.620 13.242 2.790 1.00 45.44 H new ATOM 0 HH TYR A 69 15.907 13.560 4.855 1.00 11.31 H new ATOM 1085 N ASP A 70 10.807 10.029 -1.772 1.00 74.02 N ATOM 1086 CA ASP A 70 9.799 9.988 -2.826 1.00 30.14 C ATOM 1087 C ASP A 70 8.394 9.959 -2.233 1.00 12.14 C ATOM 1088 O ASP A 70 8.059 9.074 -1.445 1.00 51.11 O ATOM 1089 CB ASP A 70 10.014 8.765 -3.719 1.00 41.42 C ATOM 1090 CG ASP A 70 9.830 9.084 -5.190 1.00 32.30 C ATOM 1091 OD1 ASP A 70 8.975 9.935 -5.510 1.00 15.44 O ATOM 1092 OD2 ASP A 70 10.540 8.481 -6.021 1.00 63.55 O ATOM 0 H ASP A 70 10.614 9.416 -0.980 1.00 74.02 H new ATOM 0 HA ASP A 70 9.901 10.891 -3.428 1.00 30.14 H new ATOM 0 HB2 ASP A 70 11.018 8.373 -3.558 1.00 41.42 H new ATOM 0 HB3 ASP A 70 9.315 7.980 -3.430 1.00 41.42 H new ATOM 1097 N VAL A 71 7.575 10.934 -2.615 1.00 42.05 N ATOM 1098 CA VAL A 71 6.206 11.021 -2.122 1.00 30.41 C ATOM 1099 C VAL A 71 5.409 9.775 -2.492 1.00 33.02 C ATOM 1100 O VAL A 71 4.654 9.245 -1.677 1.00 2.02 O ATOM 1101 CB VAL A 71 5.486 12.262 -2.680 1.00 53.41 C ATOM 1102 CG1 VAL A 71 3.987 12.165 -2.436 1.00 44.52 C ATOM 1103 CG2 VAL A 71 6.054 13.531 -2.061 1.00 60.54 C ATOM 0 H VAL A 71 7.837 11.675 -3.265 1.00 42.05 H new ATOM 0 HA VAL A 71 6.265 11.102 -1.037 1.00 30.41 H new ATOM 0 HB VAL A 71 5.653 12.304 -3.756 1.00 53.41 H new ATOM 0 HG11 VAL A 71 3.495 13.051 -2.837 1.00 44.52 H new ATOM 0 HG12 VAL A 71 3.595 11.277 -2.931 1.00 44.52 H new ATOM 0 HG13 VAL A 71 3.796 12.098 -1.365 1.00 44.52 H new ATOM 0 HG21 VAL A 71 5.533 14.398 -2.467 1.00 60.54 H new ATOM 0 HG22 VAL A 71 5.919 13.500 -0.980 1.00 60.54 H new ATOM 0 HG23 VAL A 71 7.117 13.605 -2.292 1.00 60.54 H new ATOM 1113 N GLN A 72 5.582 9.313 -3.726 1.00 20.11 N ATOM 1114 CA GLN A 72 4.878 8.129 -4.204 1.00 31.13 C ATOM 1115 C GLN A 72 5.646 7.460 -5.339 1.00 31.22 C ATOM 1116 O GLN A 72 5.059 7.039 -6.336 1.00 54.05 O ATOM 1117 CB GLN A 72 3.471 8.502 -4.674 1.00 71.43 C ATOM 1118 CG GLN A 72 2.455 8.585 -3.547 1.00 35.11 C ATOM 1119 CD GLN A 72 2.391 7.314 -2.724 1.00 34.44 C ATOM 1120 OE1 GLN A 72 2.154 6.228 -3.254 1.00 74.01 O ATOM 1121 NE2 GLN A 72 2.602 7.442 -1.419 1.00 23.41 N ATOM 0 H GLN A 72 6.203 9.740 -4.413 1.00 20.11 H new ATOM 0 HA GLN A 72 4.802 7.423 -3.377 1.00 31.13 H new ATOM 0 HB2 GLN A 72 3.511 9.463 -5.187 1.00 71.43 H new ATOM 0 HB3 GLN A 72 3.133 7.765 -5.403 1.00 71.43 H new ATOM 0 HG2 GLN A 72 2.708 9.422 -2.896 1.00 35.11 H new ATOM 0 HG3 GLN A 72 1.470 8.792 -3.965 1.00 35.11 H new ATOM 0 HE21 GLN A 72 2.795 8.361 -1.021 1.00 23.41 H new ATOM 0 HE22 GLN A 72 2.571 6.621 -0.814 1.00 23.41 H new ATOM 1130 N LEU A 73 6.961 7.365 -5.181 1.00 24.01 N ATOM 1131 CA LEU A 73 7.811 6.747 -6.193 1.00 70.10 C ATOM 1132 C LEU A 73 7.583 7.386 -7.559 1.00 60.23 C ATOM 1133 O LEU A 73 7.457 6.692 -8.569 1.00 33.44 O ATOM 1134 CB LEU A 73 7.537 5.244 -6.268 1.00 64.22 C ATOM 1135 CG LEU A 73 7.729 4.461 -4.969 1.00 22.12 C ATOM 1136 CD1 LEU A 73 8.975 4.936 -4.238 1.00 44.41 C ATOM 1137 CD2 LEU A 73 6.503 4.596 -4.079 1.00 15.25 C ATOM 0 H LEU A 73 7.462 7.708 -4.362 1.00 24.01 H new ATOM 0 HA LEU A 73 8.851 6.907 -5.907 1.00 70.10 H new ATOM 0 HB2 LEU A 73 6.512 5.098 -6.608 1.00 64.22 H new ATOM 0 HB3 LEU A 73 8.189 4.814 -7.028 1.00 64.22 H new ATOM 0 HG LEU A 73 7.858 3.408 -5.218 1.00 22.12 H new ATOM 0 HD11 LEU A 73 9.095 4.367 -3.316 1.00 44.41 H new ATOM 0 HD12 LEU A 73 9.848 4.787 -4.873 1.00 44.41 H new ATOM 0 HD13 LEU A 73 8.876 5.995 -4.001 1.00 44.41 H new ATOM 0 HD21 LEU A 73 6.657 4.032 -3.159 1.00 15.25 H new ATOM 0 HD22 LEU A 73 6.342 5.647 -3.838 1.00 15.25 H new ATOM 0 HD23 LEU A 73 5.629 4.206 -4.601 1.00 15.25 H new ATOM 1149 N THR A 74 7.533 8.714 -7.585 1.00 43.10 N ATOM 1150 CA THR A 74 7.322 9.447 -8.827 1.00 10.12 C ATOM 1151 C THR A 74 8.533 9.334 -9.745 1.00 63.43 C ATOM 1152 O THR A 74 8.423 9.505 -10.960 1.00 24.31 O ATOM 1153 CB THR A 74 7.033 10.936 -8.558 1.00 45.11 C ATOM 1154 OG1 THR A 74 5.937 11.066 -7.646 1.00 60.13 O ATOM 1155 CG2 THR A 74 6.712 11.667 -9.853 1.00 2.32 C ATOM 0 H THR A 74 7.636 9.304 -6.759 1.00 43.10 H new ATOM 0 HA THR A 74 6.457 8.999 -9.315 1.00 10.12 H new ATOM 0 HB THR A 74 7.925 11.383 -8.118 1.00 45.11 H new ATOM 0 HG1 THR A 74 5.761 12.016 -7.479 1.00 60.13 H new ATOM 0 HG21 THR A 74 6.511 12.717 -9.638 1.00 2.32 H new ATOM 0 HG22 THR A 74 7.560 11.591 -10.533 1.00 2.32 H new ATOM 0 HG23 THR A 74 5.834 11.217 -10.317 1.00 2.32 H new ATOM 1163 N THR A 75 9.690 9.043 -9.158 1.00 43.12 N ATOM 1164 CA THR A 75 10.923 8.907 -9.924 1.00 32.01 C ATOM 1165 C THR A 75 10.812 7.785 -10.950 1.00 54.42 C ATOM 1166 O THR A 75 11.115 7.976 -12.129 1.00 20.02 O ATOM 1167 CB THR A 75 12.127 8.629 -9.005 1.00 23.11 C ATOM 1168 OG1 THR A 75 11.921 7.410 -8.282 1.00 14.43 O ATOM 1169 CG2 THR A 75 12.338 9.775 -8.027 1.00 41.23 C ATOM 0 H THR A 75 9.799 8.897 -8.154 1.00 43.12 H new ATOM 0 HA THR A 75 11.080 9.854 -10.441 1.00 32.01 H new ATOM 0 HB THR A 75 13.017 8.536 -9.628 1.00 23.11 H new ATOM 0 HG1 THR A 75 11.430 7.599 -7.455 1.00 14.43 H new ATOM 0 HG21 THR A 75 13.194 9.556 -7.389 1.00 41.23 H new ATOM 0 HG22 THR A 75 12.524 10.696 -8.580 1.00 41.23 H new ATOM 0 HG23 THR A 75 11.447 9.896 -7.411 1.00 41.23 H new ATOM 1177 N LEU A 76 10.374 6.616 -10.496 1.00 64.15 N ATOM 1178 CA LEU A 76 10.222 5.462 -11.376 1.00 41.44 C ATOM 1179 C LEU A 76 8.946 5.574 -12.205 1.00 2.22 C ATOM 1180 O LEU A 76 8.923 5.213 -13.382 1.00 22.45 O ATOM 1181 CB LEU A 76 10.200 4.171 -10.557 1.00 63.33 C ATOM 1182 CG LEU A 76 11.563 3.557 -10.235 1.00 3.20 C ATOM 1183 CD1 LEU A 76 12.182 2.946 -11.483 1.00 0.14 C ATOM 1184 CD2 LEU A 76 12.491 4.604 -9.635 1.00 71.13 C ATOM 0 H LEU A 76 10.118 6.442 -9.524 1.00 64.15 H new ATOM 0 HA LEU A 76 11.074 5.439 -12.055 1.00 41.44 H new ATOM 0 HB2 LEU A 76 9.682 4.369 -9.618 1.00 63.33 H new ATOM 0 HB3 LEU A 76 9.609 3.431 -11.098 1.00 63.33 H new ATOM 0 HG LEU A 76 11.419 2.764 -9.501 1.00 3.20 H new ATOM 0 HD11 LEU A 76 13.151 2.514 -11.234 1.00 0.14 H new ATOM 0 HD12 LEU A 76 11.526 2.166 -11.870 1.00 0.14 H new ATOM 0 HD13 LEU A 76 12.313 3.719 -12.240 1.00 0.14 H new ATOM 0 HD21 LEU A 76 13.456 4.150 -9.412 1.00 71.13 H new ATOM 0 HD22 LEU A 76 12.629 5.418 -10.346 1.00 71.13 H new ATOM 0 HD23 LEU A 76 12.053 4.995 -8.716 1.00 71.13 H new ATOM 1196 N LYS A 77 7.886 6.079 -11.584 1.00 11.35 N ATOM 1197 CA LYS A 77 6.606 6.243 -12.263 1.00 43.01 C ATOM 1198 C LYS A 77 6.728 7.227 -13.422 1.00 71.13 C ATOM 1199 O LYS A 77 6.091 7.057 -14.461 1.00 61.34 O ATOM 1200 CB LYS A 77 5.541 6.729 -11.278 1.00 33.52 C ATOM 1201 CG LYS A 77 4.432 5.719 -11.034 1.00 65.22 C ATOM 1202 CD LYS A 77 4.802 4.740 -9.933 1.00 24.42 C ATOM 1203 CE LYS A 77 5.379 3.452 -10.502 1.00 52.20 C ATOM 1204 NZ LYS A 77 6.846 3.352 -10.271 1.00 24.34 N ATOM 0 H LYS A 77 7.888 6.382 -10.610 1.00 11.35 H new ATOM 0 HA LYS A 77 6.308 5.273 -12.662 1.00 43.01 H new ATOM 0 HB2 LYS A 77 6.019 6.968 -10.328 1.00 33.52 H new ATOM 0 HB3 LYS A 77 5.103 7.653 -11.656 1.00 33.52 H new ATOM 0 HG2 LYS A 77 3.515 6.242 -10.764 1.00 65.22 H new ATOM 0 HG3 LYS A 77 4.227 5.172 -11.955 1.00 65.22 H new ATOM 0 HD2 LYS A 77 5.529 5.201 -9.264 1.00 24.42 H new ATOM 0 HD3 LYS A 77 3.919 4.512 -9.336 1.00 24.42 H new ATOM 0 HE2 LYS A 77 4.880 2.598 -10.045 1.00 52.20 H new ATOM 0 HE3 LYS A 77 5.176 3.405 -11.572 1.00 52.20 H new ATOM 0 HZ1 LYS A 77 7.316 3.051 -11.149 1.00 24.34 H new ATOM 0 HZ2 LYS A 77 7.216 4.280 -9.981 1.00 24.34 H new ATOM 0 HZ3 LYS A 77 7.033 2.655 -9.522 1.00 24.34 H new ATOM 1218 N GLU A 78 7.550 8.255 -13.237 1.00 24.33 N ATOM 1219 CA GLU A 78 7.755 9.265 -14.268 1.00 72.45 C ATOM 1220 C GLU A 78 8.703 8.754 -15.350 1.00 33.33 C ATOM 1221 O GLU A 78 8.568 9.101 -16.523 1.00 51.11 O ATOM 1222 CB GLU A 78 8.312 10.550 -13.652 1.00 73.33 C ATOM 1223 CG GLU A 78 8.426 11.699 -14.640 1.00 72.41 C ATOM 1224 CD GLU A 78 9.794 12.352 -14.619 1.00 50.14 C ATOM 1225 OE1 GLU A 78 10.803 11.617 -14.587 1.00 32.04 O ATOM 1226 OE2 GLU A 78 9.855 13.599 -14.636 1.00 43.44 O ATOM 0 H GLU A 78 8.085 8.410 -12.382 1.00 24.33 H new ATOM 0 HA GLU A 78 6.790 9.480 -14.727 1.00 72.45 H new ATOM 0 HB2 GLU A 78 7.670 10.855 -12.826 1.00 73.33 H new ATOM 0 HB3 GLU A 78 9.296 10.344 -13.232 1.00 73.33 H new ATOM 0 HG2 GLU A 78 8.218 11.331 -15.645 1.00 72.41 H new ATOM 0 HG3 GLU A 78 7.667 12.447 -14.411 1.00 72.41 H new ATOM 1233 N ASP A 79 9.661 7.928 -14.945 1.00 63.34 N ATOM 1234 CA ASP A 79 10.632 7.368 -15.879 1.00 21.14 C ATOM 1235 C ASP A 79 9.993 6.286 -16.744 1.00 30.05 C ATOM 1236 O ASP A 79 10.127 6.297 -17.968 1.00 33.14 O ATOM 1237 CB ASP A 79 11.828 6.791 -15.119 1.00 33.10 C ATOM 1238 CG ASP A 79 13.000 7.751 -15.068 1.00 54.34 C ATOM 1239 OD1 ASP A 79 13.737 7.840 -16.072 1.00 40.11 O ATOM 1240 OD2 ASP A 79 13.180 8.414 -14.025 1.00 30.52 O ATOM 0 H ASP A 79 9.786 7.631 -13.977 1.00 63.34 H new ATOM 0 HA ASP A 79 10.978 8.171 -16.530 1.00 21.14 H new ATOM 0 HB2 ASP A 79 11.523 6.541 -14.103 1.00 33.10 H new ATOM 0 HB3 ASP A 79 12.143 5.862 -15.595 1.00 33.10 H new ATOM 1245 N ILE A 80 9.300 5.353 -16.099 1.00 51.32 N ATOM 1246 CA ILE A 80 8.641 4.265 -16.810 1.00 34.32 C ATOM 1247 C ILE A 80 7.664 4.800 -17.851 1.00 53.11 C ATOM 1248 O ILE A 80 7.568 4.269 -18.958 1.00 14.33 O ATOM 1249 CB ILE A 80 7.884 3.337 -15.841 1.00 54.02 C ATOM 1250 CG1 ILE A 80 7.223 2.191 -16.610 1.00 31.21 C ATOM 1251 CG2 ILE A 80 6.845 4.124 -15.057 1.00 55.41 C ATOM 1252 CD1 ILE A 80 8.196 1.373 -17.429 1.00 63.33 C ATOM 0 H ILE A 80 9.181 5.329 -15.086 1.00 51.32 H new ATOM 0 HA ILE A 80 9.424 3.695 -17.310 1.00 34.32 H new ATOM 0 HB ILE A 80 8.598 2.912 -15.136 1.00 54.02 H new ATOM 0 HG12 ILE A 80 6.715 1.535 -15.903 1.00 31.21 H new ATOM 0 HG13 ILE A 80 6.459 2.601 -17.271 1.00 31.21 H new ATOM 0 HG21 ILE A 80 6.319 3.455 -14.377 1.00 55.41 H new ATOM 0 HG22 ILE A 80 7.339 4.909 -14.484 1.00 55.41 H new ATOM 0 HG23 ILE A 80 6.132 4.574 -15.748 1.00 55.41 H new ATOM 0 HD11 ILE A 80 7.658 0.579 -17.947 1.00 63.33 H new ATOM 0 HD12 ILE A 80 8.686 2.016 -18.160 1.00 63.33 H new ATOM 0 HD13 ILE A 80 8.946 0.934 -16.771 1.00 63.33 H new ATOM 1264 N ARG A 81 6.942 5.856 -17.490 1.00 32.25 N ATOM 1265 CA ARG A 81 5.972 6.464 -18.393 1.00 3.03 C ATOM 1266 C ARG A 81 6.675 7.247 -19.498 1.00 25.40 C ATOM 1267 O ARG A 81 6.180 7.336 -20.622 1.00 15.31 O ATOM 1268 CB ARG A 81 5.032 7.389 -17.618 1.00 34.52 C ATOM 1269 CG ARG A 81 5.711 8.637 -17.079 1.00 64.33 C ATOM 1270 CD ARG A 81 4.705 9.598 -16.466 1.00 45.53 C ATOM 1271 NE ARG A 81 3.966 10.340 -17.485 1.00 22.34 N ATOM 1272 CZ ARG A 81 2.837 10.995 -17.242 1.00 35.24 C ATOM 1273 NH1 ARG A 81 2.319 11.001 -16.021 1.00 22.22 N ATOM 1274 NH2 ARG A 81 2.222 11.646 -18.221 1.00 1.32 N ATOM 0 H ARG A 81 7.011 6.308 -16.578 1.00 32.25 H new ATOM 0 HA ARG A 81 5.389 5.665 -18.851 1.00 3.03 H new ATOM 0 HB2 ARG A 81 4.210 7.686 -18.269 1.00 34.52 H new ATOM 0 HB3 ARG A 81 4.596 6.835 -16.786 1.00 34.52 H new ATOM 0 HG2 ARG A 81 6.450 8.355 -16.329 1.00 64.33 H new ATOM 0 HG3 ARG A 81 6.249 9.137 -17.885 1.00 64.33 H new ATOM 0 HD2 ARG A 81 4.005 9.041 -15.844 1.00 45.53 H new ATOM 0 HD3 ARG A 81 5.225 10.299 -15.813 1.00 45.53 H new ATOM 0 HE ARG A 81 4.338 10.356 -18.435 1.00 22.34 H new ATOM 0 HH11 ARG A 81 2.788 10.501 -15.266 1.00 22.22 H new ATOM 0 HH12 ARG A 81 1.452 11.505 -15.838 1.00 22.22 H new ATOM 0 HH21 ARG A 81 2.617 11.644 -19.162 1.00 1.32 H new ATOM 0 HH22 ARG A 81 1.355 12.149 -18.033 1.00 1.32 H new ATOM 1288 N LEU A 82 7.832 7.812 -19.171 1.00 64.32 N ATOM 1289 CA LEU A 82 8.604 8.588 -20.136 1.00 23.42 C ATOM 1290 C LEU A 82 9.226 7.680 -21.192 1.00 61.31 C ATOM 1291 O LEU A 82 9.266 8.022 -22.373 1.00 54.24 O ATOM 1292 CB LEU A 82 9.699 9.382 -19.422 1.00 10.34 C ATOM 1293 CG LEU A 82 10.347 10.508 -20.229 1.00 72.30 C ATOM 1294 CD1 LEU A 82 11.258 9.937 -21.304 1.00 64.21 C ATOM 1295 CD2 LEU A 82 9.282 11.400 -20.849 1.00 52.41 C ATOM 0 H LEU A 82 8.256 7.748 -18.246 1.00 64.32 H new ATOM 0 HA LEU A 82 7.926 9.281 -20.633 1.00 23.42 H new ATOM 0 HB2 LEU A 82 9.275 9.810 -18.514 1.00 10.34 H new ATOM 0 HB3 LEU A 82 10.480 8.688 -19.113 1.00 10.34 H new ATOM 0 HG LEU A 82 10.951 11.113 -19.553 1.00 72.30 H new ATOM 0 HD11 LEU A 82 11.710 10.752 -21.868 1.00 64.21 H new ATOM 0 HD12 LEU A 82 12.042 9.340 -20.837 1.00 64.21 H new ATOM 0 HD13 LEU A 82 10.676 9.309 -21.978 1.00 64.21 H new ATOM 0 HD21 LEU A 82 9.761 12.196 -21.420 1.00 52.41 H new ATOM 0 HD22 LEU A 82 8.652 10.807 -21.512 1.00 52.41 H new ATOM 0 HD23 LEU A 82 8.669 11.837 -20.061 1.00 52.41 H new ATOM 1307 N MET A 83 9.709 6.520 -20.758 1.00 73.12 N ATOM 1308 CA MET A 83 10.325 5.561 -21.668 1.00 4.14 C ATOM 1309 C MET A 83 9.300 5.009 -22.653 1.00 31.04 C ATOM 1310 O MET A 83 9.502 5.056 -23.866 1.00 62.21 O ATOM 1311 CB MET A 83 10.961 4.415 -20.879 1.00 64.53 C ATOM 1312 CG MET A 83 11.984 4.876 -19.854 1.00 65.01 C ATOM 1313 SD MET A 83 11.984 3.858 -18.366 1.00 23.01 S ATOM 1314 CE MET A 83 11.874 2.218 -19.077 1.00 52.05 C ATOM 0 H MET A 83 9.686 6.222 -19.783 1.00 73.12 H new ATOM 0 HA MET A 83 11.100 6.079 -22.232 1.00 4.14 H new ATOM 0 HB2 MET A 83 10.176 3.856 -20.370 1.00 64.53 H new ATOM 0 HB3 MET A 83 11.441 3.728 -21.576 1.00 64.53 H new ATOM 0 HG2 MET A 83 12.977 4.856 -20.303 1.00 65.01 H new ATOM 0 HG3 MET A 83 11.778 5.911 -19.581 1.00 65.01 H new ATOM 0 HE1 MET A 83 12.479 1.526 -18.491 1.00 52.05 H new ATOM 0 HE2 MET A 83 10.835 1.888 -19.071 1.00 52.05 H new ATOM 0 HE3 MET A 83 12.241 2.241 -20.103 1.00 52.05 H new ATOM 1324 N VAL A 84 8.199 4.486 -22.123 1.00 32.33 N ATOM 1325 CA VAL A 84 7.141 3.925 -22.956 1.00 4.34 C ATOM 1326 C VAL A 84 6.674 4.932 -24.001 1.00 72.40 C ATOM 1327 O VAL A 84 6.395 4.570 -25.143 1.00 53.54 O ATOM 1328 CB VAL A 84 5.934 3.484 -22.108 1.00 33.23 C ATOM 1329 CG1 VAL A 84 5.430 4.638 -21.254 1.00 72.33 C ATOM 1330 CG2 VAL A 84 4.825 2.946 -23.000 1.00 22.22 C ATOM 0 H VAL A 84 8.016 4.439 -21.121 1.00 32.33 H new ATOM 0 HA VAL A 84 7.561 3.053 -23.458 1.00 4.34 H new ATOM 0 HB VAL A 84 6.254 2.683 -21.441 1.00 33.23 H new ATOM 0 HG11 VAL A 84 4.577 4.307 -20.662 1.00 72.33 H new ATOM 0 HG12 VAL A 84 6.226 4.973 -20.588 1.00 72.33 H new ATOM 0 HG13 VAL A 84 5.126 5.462 -21.899 1.00 72.33 H new ATOM 0 HG21 VAL A 84 3.980 2.639 -22.384 1.00 22.22 H new ATOM 0 HG22 VAL A 84 4.505 3.724 -23.693 1.00 22.22 H new ATOM 0 HG23 VAL A 84 5.194 2.089 -23.563 1.00 22.22 H new ATOM 1340 N ASN A 85 6.591 6.196 -23.601 1.00 41.55 N ATOM 1341 CA ASN A 85 6.157 7.256 -24.504 1.00 40.44 C ATOM 1342 C ASN A 85 7.166 7.459 -25.630 1.00 43.13 C ATOM 1343 O ASN A 85 6.815 7.413 -26.808 1.00 71.43 O ATOM 1344 CB ASN A 85 5.966 8.564 -23.734 1.00 53.51 C ATOM 1345 CG ASN A 85 4.639 8.615 -23.002 1.00 13.42 C ATOM 1346 OD1 ASN A 85 3.628 8.111 -23.490 1.00 73.52 O ATOM 1347 ND2 ASN A 85 4.637 9.228 -21.823 1.00 74.43 N ATOM 0 H ASN A 85 6.818 6.512 -22.658 1.00 41.55 H new ATOM 0 HA ASN A 85 5.205 6.958 -24.943 1.00 40.44 H new ATOM 0 HB2 ASN A 85 6.778 8.682 -23.017 1.00 53.51 H new ATOM 0 HB3 ASN A 85 6.028 9.403 -24.427 1.00 53.51 H new ATOM 0 HD21 ASN A 85 3.773 9.295 -21.284 1.00 74.43 H new ATOM 0 HD22 ASN A 85 5.499 9.632 -21.457 1.00 74.43 H new ATOM 1354 N ASN A 86 8.422 7.684 -25.258 1.00 64.33 N ATOM 1355 CA ASN A 86 9.483 7.894 -26.237 1.00 24.43 C ATOM 1356 C ASN A 86 9.562 6.724 -27.213 1.00 53.25 C ATOM 1357 O ASN A 86 9.985 6.886 -28.359 1.00 23.14 O ATOM 1358 CB ASN A 86 10.829 8.074 -25.530 1.00 74.44 C ATOM 1359 CG ASN A 86 11.503 9.382 -25.896 1.00 32.04 C ATOM 1360 OD1 ASN A 86 12.019 9.539 -27.002 1.00 42.41 O ATOM 1361 ND2 ASN A 86 11.501 10.328 -24.964 1.00 41.41 N ATOM 0 H ASN A 86 8.730 7.726 -24.287 1.00 64.33 H new ATOM 0 HA ASN A 86 9.251 8.798 -26.799 1.00 24.43 H new ATOM 0 HB2 ASN A 86 10.678 8.036 -24.451 1.00 74.44 H new ATOM 0 HB3 ASN A 86 11.487 7.244 -25.789 1.00 74.44 H new ATOM 0 HD21 ASN A 86 11.940 11.230 -25.151 1.00 41.41 H new ATOM 0 HD22 ASN A 86 11.061 10.153 -24.061 1.00 41.41 H new ATOM 1368 N CYS A 87 9.150 5.548 -26.754 1.00 23.15 N ATOM 1369 CA CYS A 87 9.174 4.351 -27.586 1.00 73.43 C ATOM 1370 C CYS A 87 8.170 4.464 -28.729 1.00 63.33 C ATOM 1371 O CYS A 87 8.546 4.451 -29.902 1.00 4.32 O ATOM 1372 CB CYS A 87 8.868 3.112 -26.743 1.00 75.24 C ATOM 1373 SG CYS A 87 10.328 2.340 -26.008 1.00 11.35 S ATOM 0 H CYS A 87 8.795 5.398 -25.810 1.00 23.15 H new ATOM 0 HA CYS A 87 10.173 4.254 -28.011 1.00 73.43 H new ATOM 0 HB2 CYS A 87 8.177 3.389 -25.947 1.00 75.24 H new ATOM 0 HB3 CYS A 87 8.358 2.378 -27.367 1.00 75.24 H new ATOM 0 HG CYS A 87 9.967 1.303 -25.313 1.00 11.35 H new ATOM 1379 N ILE A 88 6.893 4.572 -28.380 1.00 30.02 N ATOM 1380 CA ILE A 88 5.836 4.686 -29.377 1.00 12.44 C ATOM 1381 C ILE A 88 6.032 5.923 -30.247 1.00 65.11 C ATOM 1382 O ILE A 88 5.698 5.921 -31.433 1.00 23.43 O ATOM 1383 CB ILE A 88 4.445 4.752 -28.718 1.00 3.34 C ATOM 1384 CG1 ILE A 88 3.378 5.087 -29.761 1.00 75.42 C ATOM 1385 CG2 ILE A 88 4.439 5.781 -27.597 1.00 13.12 C ATOM 1386 CD1 ILE A 88 3.049 6.561 -29.839 1.00 43.10 C ATOM 0 H ILE A 88 6.565 4.583 -27.414 1.00 30.02 H new ATOM 0 HA ILE A 88 5.893 3.793 -30.000 1.00 12.44 H new ATOM 0 HB ILE A 88 4.215 3.776 -28.291 1.00 3.34 H new ATOM 0 HG12 ILE A 88 3.719 4.747 -30.739 1.00 75.42 H new ATOM 0 HG13 ILE A 88 2.469 4.532 -29.530 1.00 75.42 H new ATOM 0 HG21 ILE A 88 3.450 5.816 -27.141 1.00 13.12 H new ATOM 0 HG22 ILE A 88 5.176 5.503 -26.844 1.00 13.12 H new ATOM 0 HG23 ILE A 88 4.687 6.762 -28.002 1.00 13.12 H new ATOM 0 HD11 ILE A 88 2.285 6.724 -30.599 1.00 43.10 H new ATOM 0 HD12 ILE A 88 2.678 6.903 -28.873 1.00 43.10 H new ATOM 0 HD13 ILE A 88 3.947 7.121 -30.101 1.00 43.10 H new ATOM 1398 N LEU A 89 6.578 6.978 -29.652 1.00 63.31 N ATOM 1399 CA LEU A 89 6.822 8.222 -30.373 1.00 62.04 C ATOM 1400 C LEU A 89 8.006 8.077 -31.324 1.00 41.12 C ATOM 1401 O LEU A 89 7.844 8.109 -32.544 1.00 54.32 O ATOM 1402 CB LEU A 89 7.081 9.363 -29.388 1.00 43.24 C ATOM 1403 CG LEU A 89 6.883 10.778 -29.933 1.00 41.12 C ATOM 1404 CD1 LEU A 89 7.948 11.105 -30.968 1.00 40.54 C ATOM 1405 CD2 LEU A 89 5.492 10.930 -30.530 1.00 73.34 C ATOM 0 H LEU A 89 6.860 6.997 -28.672 1.00 63.31 H new ATOM 0 HA LEU A 89 5.934 8.453 -30.961 1.00 62.04 H new ATOM 0 HB2 LEU A 89 6.423 9.231 -28.529 1.00 43.24 H new ATOM 0 HB3 LEU A 89 8.104 9.276 -29.023 1.00 43.24 H new ATOM 0 HG LEU A 89 6.980 11.482 -29.106 1.00 41.12 H new ATOM 0 HD11 LEU A 89 7.791 12.116 -31.345 1.00 40.54 H new ATOM 0 HD12 LEU A 89 8.934 11.038 -30.509 1.00 40.54 H new ATOM 0 HD13 LEU A 89 7.883 10.396 -31.793 1.00 40.54 H new ATOM 0 HD21 LEU A 89 5.369 11.943 -30.913 1.00 73.34 H new ATOM 0 HD22 LEU A 89 5.366 10.217 -31.344 1.00 73.34 H new ATOM 0 HD23 LEU A 89 4.743 10.739 -29.761 1.00 73.34 H new ATOM 1417 N PHE A 90 9.197 7.915 -30.757 1.00 42.45 N ATOM 1418 CA PHE A 90 10.409 7.764 -31.555 1.00 31.05 C ATOM 1419 C PHE A 90 10.292 6.572 -32.500 1.00 44.34 C ATOM 1420 O PHE A 90 10.339 6.727 -33.720 1.00 2.52 O ATOM 1421 CB PHE A 90 11.626 7.589 -30.643 1.00 54.24 C ATOM 1422 CG PHE A 90 12.888 8.172 -31.211 1.00 2.21 C ATOM 1423 CD1 PHE A 90 13.260 7.911 -32.520 1.00 3.13 C ATOM 1424 CD2 PHE A 90 13.703 8.981 -30.435 1.00 62.22 C ATOM 1425 CE1 PHE A 90 14.421 8.446 -33.045 1.00 43.32 C ATOM 1426 CE2 PHE A 90 14.865 9.519 -30.955 1.00 40.13 C ATOM 1427 CZ PHE A 90 15.225 9.251 -32.261 1.00 62.44 C ATOM 0 H PHE A 90 9.349 7.885 -29.749 1.00 42.45 H new ATOM 0 HA PHE A 90 10.537 8.667 -32.152 1.00 31.05 H new ATOM 0 HB2 PHE A 90 11.420 8.058 -29.681 1.00 54.24 H new ATOM 0 HB3 PHE A 90 11.779 6.526 -30.454 1.00 54.24 H new ATOM 0 HD1 PHE A 90 12.635 7.282 -33.137 1.00 3.13 H new ATOM 0 HD2 PHE A 90 13.427 9.193 -29.413 1.00 62.22 H new ATOM 0 HE1 PHE A 90 14.700 8.235 -34.067 1.00 43.32 H new ATOM 0 HE2 PHE A 90 15.491 10.149 -30.340 1.00 40.13 H new ATOM 0 HZ PHE A 90 16.133 9.670 -32.669 1.00 62.44 H new ATOM 1437 N ASN A 91 10.141 5.383 -31.928 1.00 31.53 N ATOM 1438 CA ASN A 91 10.019 4.163 -32.719 1.00 12.41 C ATOM 1439 C ASN A 91 9.902 2.939 -31.817 1.00 24.35 C ATOM 1440 O ASN A 91 10.886 2.493 -31.227 1.00 62.14 O ATOM 1441 CB ASN A 91 11.223 4.012 -33.650 1.00 43.21 C ATOM 1442 CG ASN A 91 10.870 4.277 -35.101 1.00 15.13 C ATOM 1443 OD1 ASN A 91 11.393 5.204 -35.720 1.00 21.53 O ATOM 1444 ND2 ASN A 91 9.976 3.462 -35.650 1.00 3.30 N ATOM 0 H ASN A 91 10.100 5.237 -30.919 1.00 31.53 H new ATOM 0 HA ASN A 91 9.112 4.238 -33.319 1.00 12.41 H new ATOM 0 HB2 ASN A 91 12.008 4.701 -33.338 1.00 43.21 H new ATOM 0 HB3 ASN A 91 11.627 3.004 -33.556 1.00 43.21 H new ATOM 0 HD21 ASN A 91 9.697 3.592 -36.623 1.00 3.30 H new ATOM 0 HD22 ASN A 91 9.568 2.707 -35.099 1.00 3.30 H new ATOM 1451 N GLY A 92 8.692 2.399 -31.714 1.00 33.41 N ATOM 1452 CA GLY A 92 8.469 1.230 -30.882 1.00 54.44 C ATOM 1453 C GLY A 92 7.253 0.434 -31.315 1.00 44.31 C ATOM 1454 O GLY A 92 7.383 -0.642 -31.898 1.00 44.42 O ATOM 0 H GLY A 92 7.862 2.750 -32.192 1.00 33.41 H new ATOM 0 HA2 GLY A 92 9.350 0.589 -30.917 1.00 54.44 H new ATOM 0 HA3 GLY A 92 8.344 1.544 -29.846 1.00 54.44 H new ATOM 1458 N ALA A 93 6.069 0.963 -31.028 1.00 35.05 N ATOM 1459 CA ALA A 93 4.825 0.295 -31.391 1.00 63.41 C ATOM 1460 C ALA A 93 4.303 0.799 -32.732 1.00 71.52 C ATOM 1461 O ALA A 93 4.425 0.119 -33.751 1.00 24.03 O ATOM 1462 CB ALA A 93 3.779 0.498 -30.305 1.00 4.10 C ATOM 0 H ALA A 93 5.944 1.853 -30.545 1.00 35.05 H new ATOM 0 HA ALA A 93 5.029 -0.771 -31.487 1.00 63.41 H new ATOM 0 HB1 ALA A 93 2.856 -0.006 -30.590 1.00 4.10 H new ATOM 0 HB2 ALA A 93 4.144 0.083 -29.366 1.00 4.10 H new ATOM 0 HB3 ALA A 93 3.587 1.564 -30.180 1.00 4.10 H new ATOM 1468 N GLU A 94 3.720 1.993 -32.724 1.00 11.20 N ATOM 1469 CA GLU A 94 3.178 2.586 -33.941 1.00 13.32 C ATOM 1470 C GLU A 94 2.158 1.656 -34.591 1.00 54.34 C ATOM 1471 O GLU A 94 1.877 1.762 -35.785 1.00 1.44 O ATOM 1472 CB GLU A 94 4.304 2.897 -34.929 1.00 11.12 C ATOM 1473 CG GLU A 94 4.170 4.255 -35.597 1.00 75.15 C ATOM 1474 CD GLU A 94 5.512 4.871 -35.941 1.00 54.32 C ATOM 1475 OE1 GLU A 94 6.385 4.143 -36.458 1.00 13.34 O ATOM 1476 OE2 GLU A 94 5.688 6.083 -35.694 1.00 22.35 O ATOM 0 H GLU A 94 3.611 2.569 -31.889 1.00 11.20 H new ATOM 0 HA GLU A 94 2.676 3.515 -33.670 1.00 13.32 H new ATOM 0 HB2 GLU A 94 5.259 2.852 -34.405 1.00 11.12 H new ATOM 0 HB3 GLU A 94 4.326 2.124 -35.697 1.00 11.12 H new ATOM 0 HG2 GLU A 94 3.578 4.151 -36.506 1.00 75.15 H new ATOM 0 HG3 GLU A 94 3.624 4.928 -34.936 1.00 75.15 H new ATOM 1483 N GLY A 95 1.606 0.744 -33.797 1.00 61.31 N ATOM 1484 CA GLY A 95 0.624 -0.192 -34.313 1.00 22.45 C ATOM 1485 C GLY A 95 0.297 -1.293 -33.323 1.00 14.43 C ATOM 1486 O GLY A 95 -0.804 -1.842 -33.337 1.00 74.34 O ATOM 0 H GLY A 95 1.821 0.636 -32.806 1.00 61.31 H new ATOM 0 HA2 GLY A 95 -0.289 0.347 -34.567 1.00 22.45 H new ATOM 0 HA3 GLY A 95 0.999 -0.636 -35.235 1.00 22.45 H new ATOM 1490 N ALA A 96 1.255 -1.616 -32.461 1.00 63.01 N ATOM 1491 CA ALA A 96 1.063 -2.658 -31.460 1.00 10.32 C ATOM 1492 C ALA A 96 1.322 -2.123 -30.055 1.00 62.52 C ATOM 1493 O ALA A 96 2.302 -2.497 -29.409 1.00 73.04 O ATOM 1494 CB ALA A 96 1.970 -3.844 -31.751 1.00 42.12 C ATOM 0 H ALA A 96 2.172 -1.171 -32.436 1.00 63.01 H new ATOM 0 HA ALA A 96 0.025 -2.988 -31.510 1.00 10.32 H new ATOM 0 HB1 ALA A 96 1.816 -4.614 -30.995 1.00 42.12 H new ATOM 0 HB2 ALA A 96 1.735 -4.249 -32.735 1.00 42.12 H new ATOM 0 HB3 ALA A 96 3.010 -3.520 -31.731 1.00 42.12 H new ATOM 1500 N TYR A 97 0.439 -1.248 -29.588 1.00 44.33 N ATOM 1501 CA TYR A 97 0.575 -0.660 -28.261 1.00 12.41 C ATOM 1502 C TYR A 97 0.766 -1.742 -27.203 1.00 14.25 C ATOM 1503 O TYR A 97 1.403 -1.515 -26.174 1.00 54.34 O ATOM 1504 CB TYR A 97 -0.656 0.185 -27.926 1.00 43.25 C ATOM 1505 CG TYR A 97 -1.917 -0.628 -27.742 1.00 23.34 C ATOM 1506 CD1 TYR A 97 -2.267 -1.130 -26.494 1.00 61.23 C ATOM 1507 CD2 TYR A 97 -2.759 -0.894 -28.815 1.00 23.24 C ATOM 1508 CE1 TYR A 97 -3.418 -1.875 -26.321 1.00 44.52 C ATOM 1509 CE2 TYR A 97 -3.912 -1.636 -28.651 1.00 32.45 C ATOM 1510 CZ TYR A 97 -4.237 -2.125 -27.402 1.00 51.21 C ATOM 1511 OH TYR A 97 -5.385 -2.865 -27.234 1.00 10.45 O ATOM 0 H TYR A 97 -0.379 -0.930 -30.109 1.00 44.33 H new ATOM 0 HA TYR A 97 1.457 -0.020 -28.264 1.00 12.41 H new ATOM 0 HB2 TYR A 97 -0.461 0.749 -27.014 1.00 43.25 H new ATOM 0 HB3 TYR A 97 -0.815 0.912 -28.723 1.00 43.25 H new ATOM 0 HD1 TYR A 97 -1.629 -0.935 -25.645 1.00 61.23 H new ATOM 0 HD2 TYR A 97 -2.507 -0.514 -29.794 1.00 23.24 H new ATOM 0 HE1 TYR A 97 -3.675 -2.259 -25.345 1.00 44.52 H new ATOM 0 HE2 TYR A 97 -4.556 -1.833 -29.495 1.00 32.45 H new ATOM 0 HH TYR A 97 -5.849 -2.948 -28.093 1.00 10.45 H new ATOM 1521 N ALA A 98 0.209 -2.920 -27.463 1.00 53.04 N ATOM 1522 CA ALA A 98 0.319 -4.039 -26.536 1.00 31.01 C ATOM 1523 C ALA A 98 1.777 -4.336 -26.204 1.00 45.42 C ATOM 1524 O ALA A 98 2.085 -4.870 -25.139 1.00 23.51 O ATOM 1525 CB ALA A 98 -0.354 -5.274 -27.117 1.00 1.04 C ATOM 0 H ALA A 98 -0.323 -3.124 -28.309 1.00 53.04 H new ATOM 0 HA ALA A 98 -0.188 -3.763 -25.611 1.00 31.01 H new ATOM 0 HB1 ALA A 98 -0.264 -6.102 -26.414 1.00 1.04 H new ATOM 0 HB2 ALA A 98 -1.408 -5.063 -27.297 1.00 1.04 H new ATOM 0 HB3 ALA A 98 0.128 -5.542 -28.057 1.00 1.04 H new ATOM 1531 N ASP A 99 2.671 -3.986 -27.123 1.00 0.33 N ATOM 1532 CA ASP A 99 4.098 -4.214 -26.927 1.00 60.24 C ATOM 1533 C ASP A 99 4.627 -3.385 -25.761 1.00 55.33 C ATOM 1534 O ASP A 99 5.499 -3.829 -25.016 1.00 45.32 O ATOM 1535 CB ASP A 99 4.870 -3.874 -28.203 1.00 1.41 C ATOM 1536 CG ASP A 99 4.526 -4.800 -29.353 1.00 13.42 C ATOM 1537 OD1 ASP A 99 3.521 -5.534 -29.243 1.00 65.22 O ATOM 1538 OD2 ASP A 99 5.260 -4.789 -30.363 1.00 31.23 O ATOM 0 H ASP A 99 2.433 -3.544 -28.011 1.00 0.33 H new ATOM 0 HA ASP A 99 4.243 -5.269 -26.693 1.00 60.24 H new ATOM 0 HB2 ASP A 99 4.654 -2.845 -28.492 1.00 1.41 H new ATOM 0 HB3 ASP A 99 5.940 -3.931 -28.003 1.00 1.41 H new ATOM 1543 N ALA A 100 4.092 -2.177 -25.610 1.00 71.34 N ATOM 1544 CA ALA A 100 4.509 -1.286 -24.535 1.00 31.21 C ATOM 1545 C ALA A 100 3.845 -1.669 -23.216 1.00 41.25 C ATOM 1546 O ALA A 100 4.367 -1.378 -22.141 1.00 11.24 O ATOM 1547 CB ALA A 100 4.187 0.158 -24.891 1.00 34.41 C ATOM 0 H ALA A 100 3.369 -1.794 -26.219 1.00 71.34 H new ATOM 0 HA ALA A 100 5.587 -1.386 -24.411 1.00 31.21 H new ATOM 0 HB1 ALA A 100 4.504 0.812 -24.079 1.00 34.41 H new ATOM 0 HB2 ALA A 100 4.713 0.433 -25.805 1.00 34.41 H new ATOM 0 HB3 ALA A 100 3.113 0.264 -25.044 1.00 34.41 H new ATOM 1553 N ALA A 101 2.691 -2.322 -23.308 1.00 24.01 N ATOM 1554 CA ALA A 101 1.957 -2.745 -22.122 1.00 62.40 C ATOM 1555 C ALA A 101 2.666 -3.899 -21.421 1.00 33.25 C ATOM 1556 O ALA A 101 2.569 -4.051 -20.203 1.00 5.55 O ATOM 1557 CB ALA A 101 0.537 -3.144 -22.495 1.00 30.21 C ATOM 0 H ALA A 101 2.245 -2.569 -24.191 1.00 24.01 H new ATOM 0 HA ALA A 101 1.916 -1.904 -21.430 1.00 62.40 H new ATOM 0 HB1 ALA A 101 0.000 -3.458 -21.600 1.00 30.21 H new ATOM 0 HB2 ALA A 101 0.026 -2.293 -22.945 1.00 30.21 H new ATOM 0 HB3 ALA A 101 0.566 -3.968 -23.208 1.00 30.21 H new ATOM 1563 N ARG A 102 3.376 -4.711 -22.197 1.00 3.32 N ATOM 1564 CA ARG A 102 4.099 -5.852 -21.649 1.00 64.35 C ATOM 1565 C ARG A 102 5.182 -5.394 -20.676 1.00 71.44 C ATOM 1566 O ARG A 102 5.250 -5.864 -19.540 1.00 65.21 O ATOM 1567 CB ARG A 102 4.727 -6.674 -22.777 1.00 74.11 C ATOM 1568 CG ARG A 102 4.744 -8.169 -22.504 1.00 60.20 C ATOM 1569 CD ARG A 102 5.953 -8.570 -21.673 1.00 14.45 C ATOM 1570 NE ARG A 102 7.203 -8.400 -22.407 1.00 42.44 N ATOM 1571 CZ ARG A 102 8.398 -8.686 -21.902 1.00 34.34 C ATOM 1572 NH1 ARG A 102 8.503 -9.155 -20.666 1.00 32.01 N ATOM 1573 NH2 ARG A 102 9.490 -8.505 -22.633 1.00 10.33 N ATOM 0 H ARG A 102 3.466 -4.600 -23.207 1.00 3.32 H new ATOM 0 HA ARG A 102 3.387 -6.475 -21.107 1.00 64.35 H new ATOM 0 HB2 ARG A 102 4.178 -6.488 -23.700 1.00 74.11 H new ATOM 0 HB3 ARG A 102 5.749 -6.331 -22.940 1.00 74.11 H new ATOM 0 HG2 ARG A 102 3.831 -8.455 -21.982 1.00 60.20 H new ATOM 0 HG3 ARG A 102 4.754 -8.712 -23.449 1.00 60.20 H new ATOM 0 HD2 ARG A 102 5.983 -7.970 -20.763 1.00 14.45 H new ATOM 0 HD3 ARG A 102 5.852 -9.611 -21.365 1.00 14.45 H new ATOM 0 HE ARG A 102 7.156 -8.042 -23.361 1.00 42.44 H new ATOM 0 HH11 ARG A 102 7.665 -9.297 -20.101 1.00 32.01 H new ATOM 0 HH12 ARG A 102 9.421 -9.374 -20.280 1.00 32.01 H new ATOM 0 HH21 ARG A 102 9.413 -8.146 -23.584 1.00 10.33 H new ATOM 0 HH22 ARG A 102 10.407 -8.725 -22.244 1.00 10.33 H new ATOM 1587 N THR A 103 6.028 -4.474 -21.130 1.00 74.21 N ATOM 1588 CA THR A 103 7.108 -3.954 -20.301 1.00 53.04 C ATOM 1589 C THR A 103 6.561 -3.178 -19.109 1.00 33.24 C ATOM 1590 O THR A 103 7.178 -3.141 -18.044 1.00 14.02 O ATOM 1591 CB THR A 103 8.044 -3.037 -21.110 1.00 43.31 C ATOM 1592 OG1 THR A 103 9.141 -2.613 -20.293 1.00 20.24 O ATOM 1593 CG2 THR A 103 7.294 -1.820 -21.630 1.00 73.24 C ATOM 0 H THR A 103 5.986 -4.074 -22.067 1.00 74.21 H new ATOM 0 HA THR A 103 7.674 -4.814 -19.942 1.00 53.04 H new ATOM 0 HB THR A 103 8.422 -3.602 -21.962 1.00 43.31 H new ATOM 0 HG1 THR A 103 9.732 -2.032 -20.815 1.00 20.24 H new ATOM 0 HG21 THR A 103 7.976 -1.188 -22.198 1.00 73.24 H new ATOM 0 HG22 THR A 103 6.477 -2.144 -22.275 1.00 73.24 H new ATOM 0 HG23 THR A 103 6.890 -1.255 -20.790 1.00 73.24 H new ATOM 1601 N PHE A 104 5.399 -2.560 -19.293 1.00 51.02 N ATOM 1602 CA PHE A 104 4.769 -1.784 -18.231 1.00 74.14 C ATOM 1603 C PHE A 104 4.403 -2.677 -17.049 1.00 51.12 C ATOM 1604 O PHE A 104 4.745 -2.380 -15.905 1.00 64.03 O ATOM 1605 CB PHE A 104 3.517 -1.080 -18.760 1.00 1.25 C ATOM 1606 CG PHE A 104 2.787 -0.290 -17.712 1.00 13.34 C ATOM 1607 CD1 PHE A 104 3.164 1.011 -17.417 1.00 70.42 C ATOM 1608 CD2 PHE A 104 1.723 -0.847 -17.021 1.00 21.54 C ATOM 1609 CE1 PHE A 104 2.494 1.741 -16.454 1.00 33.43 C ATOM 1610 CE2 PHE A 104 1.049 -0.122 -16.056 1.00 71.25 C ATOM 1611 CZ PHE A 104 1.435 1.173 -15.772 1.00 24.13 C ATOM 0 H PHE A 104 4.874 -2.581 -20.168 1.00 51.02 H new ATOM 0 HA PHE A 104 5.483 -1.034 -17.890 1.00 74.14 H new ATOM 0 HB2 PHE A 104 3.801 -0.413 -19.574 1.00 1.25 H new ATOM 0 HB3 PHE A 104 2.841 -1.825 -19.179 1.00 1.25 H new ATOM 0 HD1 PHE A 104 3.992 1.460 -17.946 1.00 70.42 H new ATOM 0 HD2 PHE A 104 1.417 -1.859 -17.239 1.00 21.54 H new ATOM 0 HE1 PHE A 104 2.798 2.754 -16.235 1.00 33.43 H new ATOM 0 HE2 PHE A 104 0.221 -0.568 -15.525 1.00 71.25 H new ATOM 0 HZ PHE A 104 0.910 1.741 -15.018 1.00 24.13 H new ATOM 1621 N GLU A 105 3.704 -3.771 -17.335 1.00 63.25 N ATOM 1622 CA GLU A 105 3.291 -4.706 -16.296 1.00 32.31 C ATOM 1623 C GLU A 105 4.496 -5.212 -15.508 1.00 11.31 C ATOM 1624 O GLU A 105 4.447 -5.330 -14.283 1.00 52.44 O ATOM 1625 CB GLU A 105 2.538 -5.888 -16.912 1.00 3.24 C ATOM 1626 CG GLU A 105 1.030 -5.707 -16.928 1.00 32.05 C ATOM 1627 CD GLU A 105 0.403 -6.150 -18.235 1.00 51.13 C ATOM 1628 OE1 GLU A 105 0.877 -7.152 -18.810 1.00 42.04 O ATOM 1629 OE2 GLU A 105 -0.561 -5.495 -18.684 1.00 32.14 O ATOM 0 H GLU A 105 3.412 -4.031 -18.277 1.00 63.25 H new ATOM 0 HA GLU A 105 2.627 -4.178 -15.612 1.00 32.31 H new ATOM 0 HB2 GLU A 105 2.888 -6.039 -17.933 1.00 3.24 H new ATOM 0 HB3 GLU A 105 2.781 -6.793 -16.355 1.00 3.24 H new ATOM 0 HG2 GLU A 105 0.591 -6.275 -16.108 1.00 32.05 H new ATOM 0 HG3 GLU A 105 0.792 -4.658 -16.752 1.00 32.05 H new ATOM 1636 N LYS A 106 5.578 -5.510 -16.219 1.00 52.45 N ATOM 1637 CA LYS A 106 6.797 -6.002 -15.589 1.00 40.12 C ATOM 1638 C LYS A 106 7.266 -5.050 -14.494 1.00 11.52 C ATOM 1639 O LYS A 106 7.561 -5.471 -13.375 1.00 73.12 O ATOM 1640 CB LYS A 106 7.901 -6.177 -16.634 1.00 60.04 C ATOM 1641 CG LYS A 106 8.430 -7.598 -16.729 1.00 15.13 C ATOM 1642 CD LYS A 106 9.128 -8.019 -15.447 1.00 22.12 C ATOM 1643 CE LYS A 106 9.154 -9.533 -15.298 1.00 3.44 C ATOM 1644 NZ LYS A 106 8.493 -9.977 -14.040 1.00 21.44 N ATOM 0 H LYS A 106 5.635 -5.419 -17.233 1.00 52.45 H new ATOM 0 HA LYS A 106 6.577 -6.969 -15.136 1.00 40.12 H new ATOM 0 HB2 LYS A 106 7.518 -5.875 -17.609 1.00 60.04 H new ATOM 0 HB3 LYS A 106 8.726 -5.506 -16.394 1.00 60.04 H new ATOM 0 HG2 LYS A 106 7.606 -8.281 -16.937 1.00 15.13 H new ATOM 0 HG3 LYS A 106 9.126 -7.673 -17.565 1.00 15.13 H new ATOM 0 HD2 LYS A 106 10.148 -7.634 -15.444 1.00 22.12 H new ATOM 0 HD3 LYS A 106 8.618 -7.577 -14.591 1.00 22.12 H new ATOM 0 HE2 LYS A 106 8.655 -9.991 -16.152 1.00 3.44 H new ATOM 0 HE3 LYS A 106 10.187 -9.881 -15.308 1.00 3.44 H new ATOM 0 HZ1 LYS A 106 8.531 -11.014 -13.975 1.00 21.44 H new ATOM 0 HZ2 LYS A 106 8.985 -9.561 -13.224 1.00 21.44 H new ATOM 0 HZ3 LYS A 106 7.500 -9.667 -14.041 1.00 21.44 H new ATOM 1658 N PHE A 107 7.331 -3.764 -14.822 1.00 43.52 N ATOM 1659 CA PHE A 107 7.764 -2.751 -13.866 1.00 31.32 C ATOM 1660 C PHE A 107 6.950 -2.837 -12.578 1.00 54.51 C ATOM 1661 O PHE A 107 7.501 -2.791 -11.479 1.00 15.23 O ATOM 1662 CB PHE A 107 7.631 -1.354 -14.475 1.00 2.12 C ATOM 1663 CG PHE A 107 8.933 -0.789 -14.968 1.00 15.22 C ATOM 1664 CD1 PHE A 107 9.590 -1.365 -16.042 1.00 45.14 C ATOM 1665 CD2 PHE A 107 9.498 0.318 -14.356 1.00 2.30 C ATOM 1666 CE1 PHE A 107 10.788 -0.847 -16.499 1.00 20.12 C ATOM 1667 CE2 PHE A 107 10.695 0.841 -14.808 1.00 62.32 C ATOM 1668 CZ PHE A 107 11.342 0.257 -15.880 1.00 75.41 C ATOM 0 H PHE A 107 7.089 -3.398 -15.743 1.00 43.52 H new ATOM 0 HA PHE A 107 8.811 -2.936 -13.627 1.00 31.32 H new ATOM 0 HB2 PHE A 107 6.924 -1.393 -15.304 1.00 2.12 H new ATOM 0 HB3 PHE A 107 7.211 -0.680 -13.729 1.00 2.12 H new ATOM 0 HD1 PHE A 107 9.162 -2.229 -16.529 1.00 45.14 H new ATOM 0 HD2 PHE A 107 8.998 0.777 -13.516 1.00 2.30 H new ATOM 0 HE1 PHE A 107 11.290 -1.305 -17.339 1.00 20.12 H new ATOM 0 HE2 PHE A 107 11.124 1.706 -14.324 1.00 62.32 H new ATOM 0 HZ PHE A 107 12.279 0.663 -16.233 1.00 75.41 H new ATOM 1678 N ALA A 108 5.634 -2.960 -12.724 1.00 24.22 N ATOM 1679 CA ALA A 108 4.744 -3.053 -11.574 1.00 32.23 C ATOM 1680 C ALA A 108 5.149 -4.203 -10.657 1.00 41.42 C ATOM 1681 O ALA A 108 5.201 -4.047 -9.437 1.00 71.35 O ATOM 1682 CB ALA A 108 3.304 -3.225 -12.034 1.00 32.21 C ATOM 0 H ALA A 108 5.162 -2.997 -13.627 1.00 24.22 H new ATOM 0 HA ALA A 108 4.825 -2.125 -11.007 1.00 32.23 H new ATOM 0 HB1 ALA A 108 2.650 -3.293 -11.165 1.00 32.21 H new ATOM 0 HB2 ALA A 108 3.012 -2.369 -12.642 1.00 32.21 H new ATOM 0 HB3 ALA A 108 3.217 -4.136 -12.625 1.00 32.21 H new ATOM 1688 N MET A 109 5.435 -5.356 -11.253 1.00 13.22 N ATOM 1689 CA MET A 109 5.836 -6.531 -10.489 1.00 31.34 C ATOM 1690 C MET A 109 7.100 -6.250 -9.682 1.00 74.10 C ATOM 1691 O MET A 109 7.178 -6.579 -8.499 1.00 45.31 O ATOM 1692 CB MET A 109 6.068 -7.719 -11.424 1.00 72.42 C ATOM 1693 CG MET A 109 5.785 -9.066 -10.778 1.00 10.00 C ATOM 1694 SD MET A 109 5.040 -10.243 -11.923 1.00 12.12 S ATOM 1695 CE MET A 109 4.395 -11.463 -10.781 1.00 70.45 C ATOM 0 H MET A 109 5.396 -5.501 -12.262 1.00 13.22 H new ATOM 0 HA MET A 109 5.031 -6.775 -9.796 1.00 31.34 H new ATOM 0 HB2 MET A 109 5.435 -7.607 -12.304 1.00 72.42 H new ATOM 0 HB3 MET A 109 7.101 -7.702 -11.771 1.00 72.42 H new ATOM 0 HG2 MET A 109 6.715 -9.481 -10.390 1.00 10.00 H new ATOM 0 HG3 MET A 109 5.120 -8.923 -9.926 1.00 10.00 H new ATOM 0 HE1 MET A 109 3.903 -12.259 -11.339 1.00 70.45 H new ATOM 0 HE2 MET A 109 5.214 -11.882 -10.196 1.00 70.45 H new ATOM 0 HE3 MET A 109 3.676 -10.991 -10.112 1.00 70.45 H new ATOM 1705 N GLY A 110 8.087 -5.640 -10.331 1.00 1.14 N ATOM 1706 CA GLY A 110 9.334 -5.326 -9.658 1.00 12.45 C ATOM 1707 C GLY A 110 9.119 -4.554 -8.371 1.00 4.23 C ATOM 1708 O GLY A 110 9.805 -4.788 -7.375 1.00 43.04 O ATOM 0 H GLY A 110 8.045 -5.358 -11.310 1.00 1.14 H new ATOM 0 HA2 GLY A 110 9.868 -6.251 -9.439 1.00 12.45 H new ATOM 0 HA3 GLY A 110 9.967 -4.743 -10.326 1.00 12.45 H new ATOM 1712 N LYS A 111 8.166 -3.629 -8.389 1.00 54.13 N ATOM 1713 CA LYS A 111 7.862 -2.819 -7.216 1.00 11.42 C ATOM 1714 C LYS A 111 7.298 -3.680 -6.091 1.00 21.54 C ATOM 1715 O LYS A 111 7.605 -3.465 -4.918 1.00 4.02 O ATOM 1716 CB LYS A 111 6.864 -1.716 -7.576 1.00 44.44 C ATOM 1717 CG LYS A 111 6.880 -0.542 -6.612 1.00 61.21 C ATOM 1718 CD LYS A 111 5.503 0.084 -6.474 1.00 12.52 C ATOM 1719 CE LYS A 111 5.351 0.810 -5.146 1.00 23.04 C ATOM 1720 NZ LYS A 111 4.432 0.090 -4.222 1.00 32.31 N ATOM 0 H LYS A 111 7.590 -3.421 -9.205 1.00 54.13 H new ATOM 0 HA LYS A 111 8.790 -2.363 -6.871 1.00 11.42 H new ATOM 0 HB2 LYS A 111 7.083 -1.353 -8.580 1.00 44.44 H new ATOM 0 HB3 LYS A 111 5.860 -2.140 -7.602 1.00 44.44 H new ATOM 0 HG2 LYS A 111 7.228 -0.877 -5.635 1.00 61.21 H new ATOM 0 HG3 LYS A 111 7.588 0.208 -6.963 1.00 61.21 H new ATOM 0 HD2 LYS A 111 5.336 0.783 -7.293 1.00 12.52 H new ATOM 0 HD3 LYS A 111 4.740 -0.690 -6.556 1.00 12.52 H new ATOM 0 HE2 LYS A 111 6.329 0.916 -4.676 1.00 23.04 H new ATOM 0 HE3 LYS A 111 4.972 1.816 -5.324 1.00 23.04 H new ATOM 0 HZ1 LYS A 111 4.355 0.617 -3.329 1.00 32.31 H new ATOM 0 HZ2 LYS A 111 3.492 0.011 -4.659 1.00 32.31 H new ATOM 0 HZ3 LYS A 111 4.806 -0.861 -4.032 1.00 32.31 H new ATOM 1734 N ILE A 112 6.474 -4.657 -6.455 1.00 52.35 N ATOM 1735 CA ILE A 112 5.870 -5.552 -5.476 1.00 41.14 C ATOM 1736 C ILE A 112 6.934 -6.215 -4.608 1.00 61.13 C ATOM 1737 O ILE A 112 6.836 -6.216 -3.381 1.00 63.30 O ATOM 1738 CB ILE A 112 5.026 -6.645 -6.158 1.00 54.42 C ATOM 1739 CG1 ILE A 112 3.931 -6.011 -7.020 1.00 4.14 C ATOM 1740 CG2 ILE A 112 4.417 -7.571 -5.116 1.00 51.10 C ATOM 1741 CD1 ILE A 112 3.208 -7.003 -7.903 1.00 50.35 C ATOM 0 H ILE A 112 6.209 -4.849 -7.421 1.00 52.35 H new ATOM 0 HA ILE A 112 5.221 -4.942 -4.848 1.00 41.14 H new ATOM 0 HB ILE A 112 5.676 -7.235 -6.805 1.00 54.42 H new ATOM 0 HG12 ILE A 112 3.207 -5.520 -6.370 1.00 4.14 H new ATOM 0 HG13 ILE A 112 4.375 -5.236 -7.645 1.00 4.14 H new ATOM 0 HG21 ILE A 112 3.823 -8.338 -5.613 1.00 51.10 H new ATOM 0 HG22 ILE A 112 5.213 -8.044 -4.540 1.00 51.10 H new ATOM 0 HG23 ILE A 112 3.778 -6.995 -4.447 1.00 51.10 H new ATOM 0 HD11 ILE A 112 2.446 -6.484 -8.485 1.00 50.35 H new ATOM 0 HD12 ILE A 112 3.921 -7.476 -8.578 1.00 50.35 H new ATOM 0 HD13 ILE A 112 2.735 -7.764 -7.283 1.00 50.35 H new ATOM 1753 N ASP A 113 7.951 -6.776 -5.254 1.00 35.45 N ATOM 1754 CA ASP A 113 9.035 -7.441 -4.541 1.00 5.34 C ATOM 1755 C ASP A 113 9.748 -6.468 -3.606 1.00 53.32 C ATOM 1756 O ASP A 113 9.933 -6.751 -2.423 1.00 63.12 O ATOM 1757 CB ASP A 113 10.035 -8.039 -5.532 1.00 73.00 C ATOM 1758 CG ASP A 113 9.620 -9.416 -6.013 1.00 15.51 C ATOM 1759 OD1 ASP A 113 8.419 -9.744 -5.908 1.00 51.13 O ATOM 1760 OD2 ASP A 113 10.495 -10.164 -6.495 1.00 31.22 O ATOM 0 H ASP A 113 8.047 -6.783 -6.269 1.00 35.45 H new ATOM 0 HA ASP A 113 8.604 -8.243 -3.942 1.00 5.34 H new ATOM 0 HB2 ASP A 113 10.135 -7.373 -6.389 1.00 73.00 H new ATOM 0 HB3 ASP A 113 11.016 -8.102 -5.061 1.00 73.00 H new ATOM 1765 N ALA A 114 10.145 -5.320 -4.146 1.00 62.34 N ATOM 1766 CA ALA A 114 10.836 -4.305 -3.361 1.00 61.10 C ATOM 1767 C ALA A 114 9.989 -3.859 -2.174 1.00 24.12 C ATOM 1768 O ALA A 114 10.503 -3.661 -1.072 1.00 52.13 O ATOM 1769 CB ALA A 114 11.191 -3.112 -4.236 1.00 65.21 C ATOM 0 H ALA A 114 10.000 -5.070 -5.124 1.00 62.34 H new ATOM 0 HA ALA A 114 11.755 -4.744 -2.974 1.00 61.10 H new ATOM 0 HB1 ALA A 114 11.707 -2.362 -3.637 1.00 65.21 H new ATOM 0 HB2 ALA A 114 11.841 -3.437 -5.048 1.00 65.21 H new ATOM 0 HB3 ALA A 114 10.280 -2.681 -4.651 1.00 65.21 H new ATOM 1775 N TYR A 115 8.691 -3.702 -2.405 1.00 72.31 N ATOM 1776 CA TYR A 115 7.773 -3.276 -1.355 1.00 24.41 C ATOM 1777 C TYR A 115 7.925 -4.148 -0.112 1.00 63.32 C ATOM 1778 O TYR A 115 8.048 -3.642 1.004 1.00 54.04 O ATOM 1779 CB TYR A 115 6.330 -3.331 -1.857 1.00 35.42 C ATOM 1780 CG TYR A 115 5.304 -3.037 -0.785 1.00 63.01 C ATOM 1781 CD1 TYR A 115 5.174 -1.761 -0.252 1.00 4.31 C ATOM 1782 CD2 TYR A 115 4.465 -4.036 -0.307 1.00 12.54 C ATOM 1783 CE1 TYR A 115 4.240 -1.488 0.728 1.00 54.31 C ATOM 1784 CE2 TYR A 115 3.526 -3.771 0.672 1.00 61.30 C ATOM 1785 CZ TYR A 115 3.418 -2.496 1.186 1.00 33.14 C ATOM 1786 OH TYR A 115 2.484 -2.228 2.161 1.00 3.22 O ATOM 0 H TYR A 115 8.250 -3.863 -3.310 1.00 72.31 H new ATOM 0 HA TYR A 115 8.018 -2.248 -1.088 1.00 24.41 H new ATOM 0 HB2 TYR A 115 6.209 -2.615 -2.670 1.00 35.42 H new ATOM 0 HB3 TYR A 115 6.136 -4.320 -2.272 1.00 35.42 H new ATOM 0 HD1 TYR A 115 5.814 -0.969 -0.610 1.00 4.31 H new ATOM 0 HD2 TYR A 115 4.548 -5.036 -0.707 1.00 12.54 H new ATOM 0 HE1 TYR A 115 4.154 -0.491 1.133 1.00 54.31 H new ATOM 0 HE2 TYR A 115 2.880 -4.558 1.032 1.00 61.30 H new ATOM 0 HH TYR A 115 2.614 -1.316 2.497 1.00 3.22 H new ATOM 1796 N ILE A 116 7.917 -5.461 -0.314 1.00 70.54 N ATOM 1797 CA ILE A 116 8.055 -6.405 0.788 1.00 5.43 C ATOM 1798 C ILE A 116 9.377 -6.203 1.522 1.00 40.52 C ATOM 1799 O ILE A 116 9.436 -6.279 2.749 1.00 73.21 O ATOM 1800 CB ILE A 116 7.972 -7.862 0.297 1.00 53.32 C ATOM 1801 CG1 ILE A 116 6.650 -8.100 -0.437 1.00 64.20 C ATOM 1802 CG2 ILE A 116 8.116 -8.824 1.466 1.00 34.31 C ATOM 1803 CD1 ILE A 116 6.589 -9.431 -1.154 1.00 40.31 C ATOM 0 H ILE A 116 7.816 -5.896 -1.231 1.00 70.54 H new ATOM 0 HA ILE A 116 7.228 -6.214 1.472 1.00 5.43 H new ATOM 0 HB ILE A 116 8.791 -8.043 -0.399 1.00 53.32 H new ATOM 0 HG12 ILE A 116 5.831 -8.044 0.280 1.00 64.20 H new ATOM 0 HG13 ILE A 116 6.496 -7.299 -1.160 1.00 64.20 H new ATOM 0 HG21 ILE A 116 8.055 -9.850 1.103 1.00 34.31 H new ATOM 0 HG22 ILE A 116 9.080 -8.667 1.950 1.00 34.31 H new ATOM 0 HG23 ILE A 116 7.316 -8.646 2.185 1.00 34.31 H new ATOM 0 HD11 ILE A 116 5.625 -9.532 -1.652 1.00 40.31 H new ATOM 0 HD12 ILE A 116 7.387 -9.482 -1.895 1.00 40.31 H new ATOM 0 HD13 ILE A 116 6.711 -10.239 -0.433 1.00 40.31 H new ATOM 1815 N SER A 117 10.436 -5.942 0.761 1.00 32.25 N ATOM 1816 CA SER A 117 11.758 -5.731 1.339 1.00 40.42 C ATOM 1817 C SER A 117 11.774 -4.484 2.218 1.00 53.21 C ATOM 1818 O SER A 117 12.602 -4.358 3.120 1.00 72.44 O ATOM 1819 CB SER A 117 12.806 -5.601 0.232 1.00 62.31 C ATOM 1820 OG SER A 117 13.523 -6.812 0.064 1.00 20.24 O ATOM 0 H SER A 117 10.404 -5.872 -0.256 1.00 32.25 H new ATOM 0 HA SER A 117 11.999 -6.595 1.959 1.00 40.42 H new ATOM 0 HB2 SER A 117 12.319 -5.330 -0.705 1.00 62.31 H new ATOM 0 HB3 SER A 117 13.499 -4.795 0.475 1.00 62.31 H new ATOM 0 HG SER A 117 14.276 -6.664 -0.545 1.00 20.24 H new ATOM 1826 N GLN A 118 10.852 -3.565 1.947 1.00 22.04 N ATOM 1827 CA GLN A 118 10.760 -2.327 2.713 1.00 63.41 C ATOM 1828 C GLN A 118 9.355 -2.137 3.273 1.00 55.11 C ATOM 1829 O GLN A 118 8.575 -1.333 2.762 1.00 75.13 O ATOM 1830 CB GLN A 118 11.140 -1.132 1.837 1.00 14.02 C ATOM 1831 CG GLN A 118 10.367 -1.066 0.529 1.00 24.35 C ATOM 1832 CD GLN A 118 11.264 -0.811 -0.666 1.00 23.23 C ATOM 1833 OE1 GLN A 118 11.017 0.097 -1.459 1.00 40.34 O ATOM 1834 NE2 GLN A 118 12.314 -1.614 -0.801 1.00 13.53 N ATOM 0 H GLN A 118 10.159 -3.654 1.204 1.00 22.04 H new ATOM 0 HA GLN A 118 11.458 -2.392 3.548 1.00 63.41 H new ATOM 0 HB2 GLN A 118 10.969 -0.213 2.397 1.00 14.02 H new ATOM 0 HB3 GLN A 118 12.207 -1.178 1.617 1.00 14.02 H new ATOM 0 HG2 GLN A 118 9.829 -2.002 0.382 1.00 24.35 H new ATOM 0 HG3 GLN A 118 9.619 -0.275 0.593 1.00 24.35 H new ATOM 0 HE21 GLN A 118 12.481 -2.354 -0.120 1.00 13.53 H new ATOM 0 HE22 GLN A 118 12.953 -1.490 -1.586 1.00 13.53 H new ATOM 1843 N LYS A 119 9.037 -2.882 4.326 1.00 13.44 N ATOM 1844 CA LYS A 119 7.725 -2.795 4.958 1.00 62.04 C ATOM 1845 C LYS A 119 7.806 -3.171 6.434 1.00 71.24 C ATOM 1846 O LYS A 119 6.795 -3.492 7.059 1.00 2.20 O ATOM 1847 CB LYS A 119 6.730 -3.710 4.241 1.00 60.32 C ATOM 1848 CG LYS A 119 5.280 -3.305 4.439 1.00 34.40 C ATOM 1849 CD LYS A 119 4.355 -4.511 4.413 1.00 25.32 C ATOM 1850 CE LYS A 119 3.177 -4.330 5.357 1.00 34.51 C ATOM 1851 NZ LYS A 119 3.612 -4.247 6.779 1.00 41.53 N ATOM 0 H LYS A 119 9.670 -3.553 4.760 1.00 13.44 H new ATOM 0 HA LYS A 119 7.380 -1.764 4.883 1.00 62.04 H new ATOM 0 HB2 LYS A 119 6.955 -3.713 3.175 1.00 60.32 H new ATOM 0 HB3 LYS A 119 6.865 -4.731 4.598 1.00 60.32 H new ATOM 0 HG2 LYS A 119 5.174 -2.784 5.391 1.00 34.40 H new ATOM 0 HG3 LYS A 119 4.987 -2.604 3.657 1.00 34.40 H new ATOM 0 HD2 LYS A 119 3.989 -4.668 3.398 1.00 25.32 H new ATOM 0 HD3 LYS A 119 4.913 -5.405 4.693 1.00 25.32 H new ATOM 0 HE2 LYS A 119 2.634 -3.423 5.090 1.00 34.51 H new ATOM 0 HE3 LYS A 119 2.485 -5.163 5.237 1.00 34.51 H new ATOM 0 HZ1 LYS A 119 3.188 -5.029 7.318 1.00 41.53 H new ATOM 0 HZ2 LYS A 119 4.649 -4.314 6.829 1.00 41.53 H new ATOM 0 HZ3 LYS A 119 3.304 -3.340 7.184 1.00 41.53 H new ATOM 1865 N VAL A 120 9.015 -3.128 6.985 1.00 35.44 N ATOM 1866 CA VAL A 120 9.226 -3.462 8.389 1.00 65.12 C ATOM 1867 C VAL A 120 9.154 -2.218 9.267 1.00 52.24 C ATOM 1868 O VAL A 120 8.926 -2.308 10.472 1.00 21.22 O ATOM 1869 CB VAL A 120 10.588 -4.149 8.603 1.00 63.21 C ATOM 1870 CG1 VAL A 120 11.723 -3.232 8.174 1.00 51.55 C ATOM 1871 CG2 VAL A 120 10.751 -4.568 10.056 1.00 11.54 C ATOM 0 H VAL A 120 9.862 -2.866 6.481 1.00 35.44 H new ATOM 0 HA VAL A 120 8.430 -4.151 8.674 1.00 65.12 H new ATOM 0 HB VAL A 120 10.624 -5.045 7.984 1.00 63.21 H new ATOM 0 HG11 VAL A 120 12.677 -3.735 8.333 1.00 51.55 H new ATOM 0 HG12 VAL A 120 11.613 -2.987 7.118 1.00 51.55 H new ATOM 0 HG13 VAL A 120 11.693 -2.316 8.764 1.00 51.55 H new ATOM 0 HG21 VAL A 120 11.719 -5.052 10.189 1.00 11.54 H new ATOM 0 HG22 VAL A 120 10.694 -3.688 10.697 1.00 11.54 H new ATOM 0 HG23 VAL A 120 9.957 -5.265 10.325 1.00 11.54 H new ATOM 1881 N GLY A 121 9.349 -1.055 8.653 1.00 54.44 N ATOM 1882 CA GLY A 121 9.301 0.192 9.393 1.00 12.43 C ATOM 1883 C GLY A 121 10.077 1.302 8.712 1.00 72.24 C ATOM 1884 O GLY A 121 10.734 2.106 9.372 1.00 71.43 O ATOM 0 H GLY A 121 9.539 -0.954 7.656 1.00 54.44 H new ATOM 0 HA2 GLY A 121 8.262 0.500 9.513 1.00 12.43 H new ATOM 0 HA3 GLY A 121 9.703 0.033 10.393 1.00 12.43 H new ATOM 1888 N GLY A 122 10.002 1.345 7.385 1.00 44.33 N ATOM 1889 CA GLY A 122 10.710 2.367 6.635 1.00 14.01 C ATOM 1890 C GLY A 122 10.047 2.675 5.307 1.00 62.52 C ATOM 1891 O GLY A 122 10.666 3.258 4.416 1.00 64.21 O ATOM 0 H GLY A 122 9.464 0.691 6.816 1.00 44.33 H new ATOM 0 HA2 GLY A 122 10.764 3.278 7.231 1.00 14.01 H new ATOM 0 HA3 GLY A 122 11.735 2.040 6.459 1.00 14.01 H new ATOM 1895 N LEU A 123 8.786 2.281 5.172 1.00 72.34 N ATOM 1896 CA LEU A 123 8.038 2.516 3.941 1.00 45.20 C ATOM 1897 C LEU A 123 6.631 1.936 4.039 1.00 42.01 C ATOM 1898 O LEU A 123 5.681 2.492 3.488 1.00 24.43 O ATOM 1899 CB LEU A 123 8.774 1.902 2.749 1.00 60.42 C ATOM 1900 CG LEU A 123 9.274 2.884 1.689 1.00 12.33 C ATOM 1901 CD1 LEU A 123 10.319 2.227 0.802 1.00 24.42 C ATOM 1902 CD2 LEU A 123 8.113 3.403 0.854 1.00 51.45 C ATOM 0 H LEU A 123 8.259 1.797 5.899 1.00 72.34 H new ATOM 0 HA LEU A 123 7.957 3.593 3.794 1.00 45.20 H new ATOM 0 HB2 LEU A 123 9.628 1.340 3.126 1.00 60.42 H new ATOM 0 HB3 LEU A 123 8.109 1.186 2.267 1.00 60.42 H new ATOM 0 HG LEU A 123 9.739 3.730 2.196 1.00 12.33 H new ATOM 0 HD11 LEU A 123 10.663 2.942 0.054 1.00 24.42 H new ATOM 0 HD12 LEU A 123 11.163 1.905 1.412 1.00 24.42 H new ATOM 0 HD13 LEU A 123 9.881 1.362 0.303 1.00 24.42 H new ATOM 0 HD21 LEU A 123 8.487 4.101 0.105 1.00 51.45 H new ATOM 0 HD22 LEU A 123 7.620 2.567 0.358 1.00 51.45 H new ATOM 0 HD23 LEU A 123 7.399 3.913 1.501 1.00 51.45 H new ATOM 1914 N GLU A 124 6.506 0.817 4.745 1.00 31.23 N ATOM 1915 CA GLU A 124 5.214 0.163 4.916 1.00 32.22 C ATOM 1916 C GLU A 124 4.534 -0.059 3.568 1.00 31.22 C ATOM 1917 O GLU A 124 3.309 -0.148 3.487 1.00 24.21 O ATOM 1918 CB GLU A 124 4.310 0.999 5.824 1.00 51.50 C ATOM 1919 CG GLU A 124 4.726 0.977 7.285 1.00 3.21 C ATOM 1920 CD GLU A 124 5.293 2.305 7.751 1.00 74.44 C ATOM 1921 OE1 GLU A 124 4.546 3.306 7.738 1.00 24.32 O ATOM 1922 OE2 GLU A 124 6.483 2.342 8.128 1.00 73.34 O ATOM 0 H GLU A 124 7.283 0.345 5.207 1.00 31.23 H new ATOM 0 HA GLU A 124 5.386 -0.808 5.381 1.00 32.22 H new ATOM 0 HB2 GLU A 124 4.309 2.030 5.471 1.00 51.50 H new ATOM 0 HB3 GLU A 124 3.287 0.632 5.741 1.00 51.50 H new ATOM 0 HG2 GLU A 124 3.864 0.718 7.900 1.00 3.21 H new ATOM 0 HG3 GLU A 124 5.471 0.196 7.435 1.00 3.21 H new TER 1929 GLU A 124