USER MOD reduce.3.24.130724 H: found=0, std=0, add=1077, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1078 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 117 ASN : amide:sc= -0.765 K(o=-2.3,f=-0.15) USER MOD Set 1.2: A 121 ASN : amide:sc= -1.5 K(o=-2.3,f=-0.15) USER MOD Set 2.1: A 26 GLN : amide:sc= 0.0589 K(o=0.18,f=-0.47) USER MOD Set 2.2: A 68 TYR OH : rot 15:sc= 0 USER MOD Set 2.3: A 88 HIS : no HE2:sc= 0.121 K(o=0.18,f=-1.6) USER MOD Single : A 5 LYS NZ :NH3+ 147:sc= -0.336 (180deg=-1.37!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -106:sc= 1.17 (180deg=-0.835) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 77:sc= 0.884 USER MOD Single : A 21 SER OG : rot 77:sc= 0.714 USER MOD Single : A 24 TYR OH : rot -100:sc= 0.836 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.895 K(o=-0.9,f=0) USER MOD Single : A 39 ASN : amide:sc= -0.0509 K(o=-0.051,f=-0.93) USER MOD Single : A 42 SER OG : rot -22:sc= 0.81 USER MOD Single : A 46 SER OG : rot 91:sc= 0.972 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0.162 X(o=0.16,f=-0.31) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.841 USER MOD Single : A 56 LYS NZ :NH3+ -168:sc= 0.0783 (180deg=0.0564) USER MOD Single : A 64 TYR OH : rot 93:sc= 0.357 USER MOD Single : A 65 SER OG : rot -76:sc= 1.06 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ -118:sc= 0.323 (180deg=0.249) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 69:sc= 0.301 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 174:sc= 0.599 (180deg=0.539) USER MOD Single : A 86 THR OG1 : rot 72:sc= 0.542 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.0376 X(o=-0.038,f=0.28) USER MOD Single : A 102 LYS NZ :NH3+ -101:sc= 1.24 (180deg=-0.46) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 GLN : amide:sc= -0.0232 X(o=-0.023,f=-0.38) USER MOD Single : A 109 THR OG1 : rot -77:sc= 0.979 USER MOD Single : A 110 GLN : amide:sc= -0.824 K(o=-0.82,f=-0.14) USER MOD Single : A 122 SER OG : rot -85:sc= 0.926 USER MOD Single : A 123 GLN : amide:sc= 0.122 X(o=0.12,f=0) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 ASN : amide:sc= -0.299 K(o=-0.3,f=-2.5!) USER MOD Single : A 133 THR OG1 : rot -84:sc= 0.0887 USER MOD Single : A 136 TYR OH : rot -104:sc= 0.119 USER MOD ----------------------------------------------------------------- ATOM 42 N VAL A 3 14.741 5.505 -8.783 1.00 13.23 N ATOM 43 CA VAL A 3 13.263 5.569 -8.708 1.00 54.51 C ATOM 44 C VAL A 3 12.671 4.384 -9.509 1.00 4.23 C ATOM 45 O VAL A 3 12.903 4.267 -10.718 1.00 1.51 O ATOM 46 CB VAL A 3 12.721 6.941 -9.274 1.00 20.40 C ATOM 47 CG1 VAL A 3 11.172 7.008 -9.236 1.00 24.03 C ATOM 48 CG2 VAL A 3 13.346 8.142 -8.517 1.00 13.23 C ATOM 0 HA VAL A 3 12.956 5.502 -7.664 1.00 54.51 H new ATOM 0 HB VAL A 3 13.024 7.002 -10.319 1.00 20.40 H new ATOM 0 HG11 VAL A 3 10.839 7.967 -9.634 1.00 24.03 H new ATOM 0 HG12 VAL A 3 10.758 6.201 -9.841 1.00 24.03 H new ATOM 0 HG13 VAL A 3 10.828 6.903 -8.207 1.00 24.03 H new ATOM 0 HG21 VAL A 3 12.956 9.073 -8.927 1.00 13.23 H new ATOM 0 HG22 VAL A 3 13.093 8.077 -7.459 1.00 13.23 H new ATOM 0 HG23 VAL A 3 14.430 8.121 -8.633 1.00 13.23 H new ATOM 58 N PHE A 4 11.927 3.504 -8.823 1.00 24.24 N ATOM 59 CA PHE A 4 11.387 2.260 -9.416 1.00 73.20 C ATOM 60 C PHE A 4 10.013 2.508 -10.073 1.00 40.13 C ATOM 61 O PHE A 4 8.999 2.591 -9.385 1.00 44.05 O ATOM 62 CB PHE A 4 11.275 1.156 -8.330 1.00 73.43 C ATOM 63 CG PHE A 4 12.613 0.769 -7.705 1.00 0.33 C ATOM 64 CD1 PHE A 4 13.161 1.518 -6.658 1.00 20.20 C ATOM 65 CD2 PHE A 4 13.327 -0.340 -8.164 1.00 41.01 C ATOM 66 CE1 PHE A 4 14.372 1.168 -6.096 1.00 12.55 C ATOM 67 CE2 PHE A 4 14.537 -0.686 -7.598 1.00 42.01 C ATOM 68 CZ PHE A 4 15.059 0.066 -6.567 1.00 44.31 C ATOM 0 H PHE A 4 11.680 3.630 -7.841 1.00 24.24 H new ATOM 0 HA PHE A 4 12.075 1.926 -10.192 1.00 73.20 H new ATOM 0 HB2 PHE A 4 10.603 1.500 -7.544 1.00 73.43 H new ATOM 0 HB3 PHE A 4 10.821 0.269 -8.772 1.00 73.43 H new ATOM 0 HD1 PHE A 4 12.630 2.381 -6.285 1.00 20.20 H new ATOM 0 HD2 PHE A 4 12.927 -0.934 -8.972 1.00 41.01 H new ATOM 0 HE1 PHE A 4 14.782 1.756 -5.288 1.00 12.55 H new ATOM 0 HE2 PHE A 4 15.076 -1.548 -7.963 1.00 42.01 H new ATOM 0 HZ PHE A 4 16.007 -0.207 -6.127 1.00 44.31 H new ATOM 78 N LYS A 5 9.995 2.636 -11.409 1.00 1.43 N ATOM 79 CA LYS A 5 8.748 2.814 -12.185 1.00 21.24 C ATOM 80 C LYS A 5 8.702 1.859 -13.389 1.00 52.12 C ATOM 81 O LYS A 5 9.728 1.294 -13.801 1.00 63.35 O ATOM 82 CB LYS A 5 8.568 4.310 -12.605 1.00 70.31 C ATOM 83 CG LYS A 5 9.721 4.974 -13.402 1.00 64.32 C ATOM 84 CD LYS A 5 9.681 4.689 -14.924 1.00 50.22 C ATOM 85 CE LYS A 5 10.790 5.423 -15.689 1.00 71.11 C ATOM 86 NZ LYS A 5 12.148 5.022 -15.239 1.00 32.33 N ATOM 0 H LYS A 5 10.838 2.620 -11.984 1.00 1.43 H new ATOM 0 HA LYS A 5 7.903 2.554 -11.547 1.00 21.24 H new ATOM 0 HB2 LYS A 5 7.660 4.385 -13.203 1.00 70.31 H new ATOM 0 HB3 LYS A 5 8.403 4.896 -11.701 1.00 70.31 H new ATOM 0 HG2 LYS A 5 9.685 6.052 -13.244 1.00 64.32 H new ATOM 0 HG3 LYS A 5 10.673 4.625 -13.002 1.00 64.32 H new ATOM 0 HD2 LYS A 5 9.777 3.616 -15.092 1.00 50.22 H new ATOM 0 HD3 LYS A 5 8.711 4.988 -15.321 1.00 50.22 H new ATOM 0 HE2 LYS A 5 10.688 5.220 -16.755 1.00 71.11 H new ATOM 0 HE3 LYS A 5 10.669 6.498 -15.557 1.00 71.11 H new ATOM 0 HZ1 LYS A 5 12.805 5.055 -16.045 1.00 32.33 H new ATOM 0 HZ2 LYS A 5 12.475 5.675 -14.498 1.00 32.33 H new ATOM 0 HZ3 LYS A 5 12.116 4.055 -14.858 1.00 32.33 H new ATOM 100 N ARG A 6 7.495 1.691 -13.938 1.00 61.15 N ATOM 101 CA ARG A 6 7.271 0.814 -15.095 1.00 61.31 C ATOM 102 C ARG A 6 7.696 1.537 -16.385 1.00 32.13 C ATOM 103 O ARG A 6 6.965 2.365 -16.921 1.00 22.53 O ATOM 104 CB ARG A 6 5.796 0.347 -15.159 1.00 71.45 C ATOM 105 CG ARG A 6 5.461 -0.632 -16.314 1.00 51.21 C ATOM 106 CD ARG A 6 6.330 -1.904 -16.313 1.00 61.51 C ATOM 107 NE ARG A 6 6.324 -2.593 -15.011 1.00 61.31 N ATOM 108 CZ ARG A 6 5.578 -3.631 -14.697 1.00 32.34 C ATOM 109 NH1 ARG A 6 4.639 -4.062 -15.479 1.00 23.12 N ATOM 110 NH2 ARG A 6 5.769 -4.221 -13.569 1.00 1.33 N ATOM 0 H ARG A 6 6.652 2.154 -13.598 1.00 61.15 H new ATOM 0 HA ARG A 6 7.884 -0.081 -14.987 1.00 61.31 H new ATOM 0 HB2 ARG A 6 5.542 -0.132 -14.213 1.00 71.45 H new ATOM 0 HB3 ARG A 6 5.158 1.226 -15.253 1.00 71.45 H new ATOM 0 HG2 ARG A 6 4.412 -0.918 -16.244 1.00 51.21 H new ATOM 0 HG3 ARG A 6 5.588 -0.116 -17.266 1.00 51.21 H new ATOM 0 HD2 ARG A 6 5.970 -2.586 -17.083 1.00 61.51 H new ATOM 0 HD3 ARG A 6 7.354 -1.640 -16.575 1.00 61.51 H new ATOM 0 HE ARG A 6 6.952 -2.235 -14.291 1.00 61.31 H new ATOM 0 HH11 ARG A 6 4.460 -3.594 -16.367 1.00 23.12 H new ATOM 0 HH12 ARG A 6 4.079 -4.869 -15.206 1.00 23.12 H new ATOM 0 HH21 ARG A 6 6.491 -3.883 -12.932 1.00 1.33 H new ATOM 0 HH22 ARG A 6 5.199 -5.027 -13.312 1.00 1.33 H new ATOM 124 N VAL A 7 8.914 1.240 -16.855 1.00 3.44 N ATOM 125 CA VAL A 7 9.444 1.813 -18.106 1.00 5.14 C ATOM 126 C VAL A 7 8.766 1.100 -19.291 1.00 72.33 C ATOM 127 O VAL A 7 8.716 -0.136 -19.292 1.00 13.32 O ATOM 128 CB VAL A 7 11.008 1.632 -18.215 1.00 64.12 C ATOM 129 CG1 VAL A 7 11.593 2.455 -19.390 1.00 44.50 C ATOM 130 CG2 VAL A 7 11.725 1.963 -16.884 1.00 55.12 C ATOM 0 H VAL A 7 9.557 0.602 -16.386 1.00 3.44 H new ATOM 0 HA VAL A 7 9.232 2.882 -18.117 1.00 5.14 H new ATOM 0 HB VAL A 7 11.192 0.578 -18.424 1.00 64.12 H new ATOM 0 HG11 VAL A 7 12.672 2.307 -19.436 1.00 44.50 H new ATOM 0 HG12 VAL A 7 11.141 2.125 -20.326 1.00 44.50 H new ATOM 0 HG13 VAL A 7 11.378 3.512 -19.236 1.00 44.50 H new ATOM 0 HG21 VAL A 7 12.799 1.825 -17.005 1.00 55.12 H new ATOM 0 HG22 VAL A 7 11.521 2.998 -16.608 1.00 55.12 H new ATOM 0 HG23 VAL A 7 11.360 1.300 -16.100 1.00 55.12 H new ATOM 140 N ALA A 8 8.231 1.855 -20.280 1.00 62.32 N ATOM 141 CA ALA A 8 7.546 1.271 -21.459 1.00 13.42 C ATOM 142 C ALA A 8 8.544 0.566 -22.420 1.00 13.25 C ATOM 143 O ALA A 8 8.940 1.105 -23.460 1.00 34.05 O ATOM 144 CB ALA A 8 6.726 2.356 -22.184 1.00 70.21 C ATOM 0 H ALA A 8 8.261 2.875 -20.285 1.00 62.32 H new ATOM 0 HA ALA A 8 6.861 0.499 -21.107 1.00 13.42 H new ATOM 0 HB1 ALA A 8 6.227 1.918 -23.048 1.00 70.21 H new ATOM 0 HB2 ALA A 8 5.980 2.764 -21.502 1.00 70.21 H new ATOM 0 HB3 ALA A 8 7.391 3.154 -22.515 1.00 70.21 H new ATOM 150 N GLY A 9 8.978 -0.628 -21.993 1.00 12.04 N ATOM 151 CA GLY A 9 9.933 -1.455 -22.738 1.00 52.42 C ATOM 152 C GLY A 9 10.626 -2.486 -21.849 1.00 61.14 C ATOM 153 O GLY A 9 10.864 -3.618 -22.281 1.00 64.20 O ATOM 0 H GLY A 9 8.673 -1.048 -21.115 1.00 12.04 H new ATOM 0 HA2 GLY A 9 9.412 -1.968 -23.547 1.00 52.42 H new ATOM 0 HA3 GLY A 9 10.684 -0.813 -23.199 1.00 52.42 H new ATOM 157 N ILE A 10 10.949 -2.087 -20.592 1.00 64.43 N ATOM 158 CA ILE A 10 11.666 -2.950 -19.617 1.00 30.43 C ATOM 159 C ILE A 10 10.709 -4.035 -19.027 1.00 14.22 C ATOM 160 O ILE A 10 10.098 -3.876 -17.959 1.00 3.53 O ATOM 161 CB ILE A 10 12.355 -2.084 -18.486 1.00 12.11 C ATOM 162 CG1 ILE A 10 13.348 -1.051 -19.115 1.00 53.03 C ATOM 163 CG2 ILE A 10 13.077 -2.961 -17.430 1.00 20.33 C ATOM 164 CD1 ILE A 10 14.495 -1.654 -19.916 1.00 14.42 C ATOM 0 H ILE A 10 10.721 -1.162 -20.227 1.00 64.43 H new ATOM 0 HA ILE A 10 12.463 -3.474 -20.145 1.00 30.43 H new ATOM 0 HB ILE A 10 11.563 -1.545 -17.967 1.00 12.11 H new ATOM 0 HG12 ILE A 10 12.786 -0.381 -19.765 1.00 53.03 H new ATOM 0 HG13 ILE A 10 13.767 -0.441 -18.315 1.00 53.03 H new ATOM 0 HG21 ILE A 10 13.534 -2.320 -16.676 1.00 20.33 H new ATOM 0 HG22 ILE A 10 12.356 -3.625 -16.954 1.00 20.33 H new ATOM 0 HG23 ILE A 10 13.850 -3.555 -17.917 1.00 20.33 H new ATOM 0 HD11 ILE A 10 15.124 -0.855 -20.309 1.00 14.42 H new ATOM 0 HD12 ILE A 10 15.090 -2.300 -19.270 1.00 14.42 H new ATOM 0 HD13 ILE A 10 14.093 -2.239 -20.743 1.00 14.42 H new ATOM 176 N LYS A 11 10.535 -5.089 -19.831 1.00 33.02 N ATOM 177 CA LYS A 11 9.680 -6.261 -19.529 1.00 53.32 C ATOM 178 C LYS A 11 10.426 -7.398 -18.777 1.00 50.21 C ATOM 179 O LYS A 11 9.868 -8.484 -18.596 1.00 41.24 O ATOM 180 CB LYS A 11 9.108 -6.794 -20.871 1.00 52.55 C ATOM 181 CG LYS A 11 10.189 -7.183 -21.917 1.00 64.11 C ATOM 182 CD LYS A 11 9.593 -7.678 -23.254 1.00 23.20 C ATOM 183 CE LYS A 11 8.802 -8.990 -23.108 1.00 63.21 C ATOM 184 NZ LYS A 11 8.207 -9.417 -24.399 1.00 3.40 N ATOM 0 H LYS A 11 10.995 -5.160 -20.739 1.00 33.02 H new ATOM 0 HA LYS A 11 8.887 -5.934 -18.857 1.00 53.32 H new ATOM 0 HB2 LYS A 11 8.486 -7.666 -20.667 1.00 52.55 H new ATOM 0 HB3 LYS A 11 8.458 -6.033 -21.303 1.00 52.55 H new ATOM 0 HG2 LYS A 11 10.827 -6.320 -22.108 1.00 64.11 H new ATOM 0 HG3 LYS A 11 10.825 -7.963 -21.499 1.00 64.11 H new ATOM 0 HD2 LYS A 11 8.938 -6.908 -23.661 1.00 23.20 H new ATOM 0 HD3 LYS A 11 10.399 -7.824 -23.973 1.00 23.20 H new ATOM 0 HE2 LYS A 11 9.461 -9.773 -22.734 1.00 63.21 H new ATOM 0 HE3 LYS A 11 8.012 -8.859 -22.369 1.00 63.21 H new ATOM 0 HZ1 LYS A 11 7.682 -10.304 -24.263 1.00 3.40 H new ATOM 0 HZ2 LYS A 11 7.559 -8.680 -24.743 1.00 3.40 H new ATOM 0 HZ3 LYS A 11 8.963 -9.566 -25.097 1.00 3.40 H new ATOM 198 N ASP A 12 11.655 -7.130 -18.308 1.00 1.34 N ATOM 199 CA ASP A 12 12.541 -8.167 -17.723 1.00 61.20 C ATOM 200 C ASP A 12 12.016 -8.640 -16.349 1.00 75.03 C ATOM 201 O ASP A 12 11.839 -7.817 -15.457 1.00 61.53 O ATOM 202 CB ASP A 12 13.974 -7.607 -17.560 1.00 74.03 C ATOM 203 CG ASP A 12 14.506 -6.970 -18.849 1.00 63.01 C ATOM 204 OD1 ASP A 12 14.253 -5.766 -19.069 1.00 63.55 O ATOM 205 OD2 ASP A 12 15.169 -7.666 -19.653 1.00 50.22 O ATOM 0 H ASP A 12 12.067 -6.197 -18.320 1.00 1.34 H new ATOM 0 HA ASP A 12 12.553 -9.020 -18.402 1.00 61.20 H new ATOM 0 HB2 ASP A 12 13.982 -6.865 -16.762 1.00 74.03 H new ATOM 0 HB3 ASP A 12 14.642 -8.412 -17.254 1.00 74.03 H new ATOM 210 N LYS A 13 11.829 -9.970 -16.173 1.00 11.35 N ATOM 211 CA LYS A 13 11.256 -10.549 -14.926 1.00 54.04 C ATOM 212 C LYS A 13 12.122 -10.222 -13.681 1.00 15.32 C ATOM 213 O LYS A 13 11.598 -10.096 -12.572 1.00 73.32 O ATOM 214 CB LYS A 13 11.078 -12.085 -15.065 1.00 32.43 C ATOM 215 CG LYS A 13 10.123 -12.572 -16.194 1.00 41.44 C ATOM 216 CD LYS A 13 8.611 -12.245 -15.957 1.00 72.24 C ATOM 217 CE LYS A 13 8.182 -10.847 -16.450 1.00 41.01 C ATOM 218 NZ LYS A 13 8.425 -10.678 -17.907 1.00 33.30 N ATOM 0 H LYS A 13 12.066 -10.667 -16.879 1.00 11.35 H new ATOM 0 HA LYS A 13 10.279 -10.089 -14.779 1.00 54.04 H new ATOM 0 HB2 LYS A 13 12.059 -12.529 -15.233 1.00 32.43 H new ATOM 0 HB3 LYS A 13 10.710 -12.474 -14.115 1.00 32.43 H new ATOM 0 HG2 LYS A 13 10.435 -12.120 -17.136 1.00 41.44 H new ATOM 0 HG3 LYS A 13 10.234 -13.651 -16.306 1.00 41.44 H new ATOM 0 HD2 LYS A 13 8.005 -12.998 -16.461 1.00 72.24 H new ATOM 0 HD3 LYS A 13 8.396 -12.324 -14.891 1.00 72.24 H new ATOM 0 HE2 LYS A 13 7.124 -10.695 -16.238 1.00 41.01 H new ATOM 0 HE3 LYS A 13 8.730 -10.083 -15.899 1.00 41.01 H new ATOM 0 HZ1 LYS A 13 9.247 -10.058 -18.052 1.00 33.30 H new ATOM 0 HZ2 LYS A 13 8.611 -11.606 -18.338 1.00 33.30 H new ATOM 0 HZ3 LYS A 13 7.587 -10.252 -18.352 1.00 33.30 H new ATOM 232 N ALA A 14 13.442 -10.064 -13.904 1.00 1.51 N ATOM 233 CA ALA A 14 14.413 -9.655 -12.867 1.00 51.45 C ATOM 234 C ALA A 14 14.145 -8.205 -12.400 1.00 42.54 C ATOM 235 O ALA A 14 14.041 -7.942 -11.200 1.00 75.14 O ATOM 236 CB ALA A 14 15.849 -9.797 -13.408 1.00 61.31 C ATOM 0 H ALA A 14 13.869 -10.218 -14.817 1.00 1.51 H new ATOM 0 HA ALA A 14 14.296 -10.309 -12.003 1.00 51.45 H new ATOM 0 HB1 ALA A 14 16.559 -9.494 -12.639 1.00 61.31 H new ATOM 0 HB2 ALA A 14 16.033 -10.836 -13.683 1.00 61.31 H new ATOM 0 HB3 ALA A 14 15.972 -9.162 -14.285 1.00 61.31 H new ATOM 242 N ALA A 15 14.025 -7.278 -13.373 1.00 11.21 N ATOM 243 CA ALA A 15 13.731 -5.851 -13.113 1.00 44.10 C ATOM 244 C ALA A 15 12.345 -5.642 -12.453 1.00 65.24 C ATOM 245 O ALA A 15 12.199 -4.795 -11.559 1.00 5.41 O ATOM 246 CB ALA A 15 13.828 -5.054 -14.423 1.00 2.14 C ATOM 0 H ALA A 15 14.129 -7.497 -14.364 1.00 11.21 H new ATOM 0 HA ALA A 15 14.475 -5.486 -12.405 1.00 44.10 H new ATOM 0 HB1 ALA A 15 13.611 -4.004 -14.227 1.00 2.14 H new ATOM 0 HB2 ALA A 15 14.834 -5.146 -14.831 1.00 2.14 H new ATOM 0 HB3 ALA A 15 13.108 -5.446 -15.141 1.00 2.14 H new ATOM 252 N ILE A 16 11.336 -6.424 -12.903 1.00 42.14 N ATOM 253 CA ILE A 16 9.963 -6.363 -12.357 1.00 43.43 C ATOM 254 C ILE A 16 9.926 -6.771 -10.860 1.00 61.05 C ATOM 255 O ILE A 16 9.359 -6.047 -10.048 1.00 61.12 O ATOM 256 CB ILE A 16 8.947 -7.253 -13.183 1.00 42.00 C ATOM 257 CG1 ILE A 16 8.934 -6.860 -14.704 1.00 4.20 C ATOM 258 CG2 ILE A 16 7.516 -7.172 -12.585 1.00 13.22 C ATOM 259 CD1 ILE A 16 8.627 -5.399 -15.011 1.00 53.52 C ATOM 0 H ILE A 16 11.451 -7.110 -13.649 1.00 42.14 H new ATOM 0 HA ILE A 16 9.648 -5.323 -12.445 1.00 43.43 H new ATOM 0 HB ILE A 16 9.291 -8.285 -13.110 1.00 42.00 H new ATOM 0 HG12 ILE A 16 9.907 -7.104 -15.131 1.00 4.20 H new ATOM 0 HG13 ILE A 16 8.197 -7.481 -15.214 1.00 4.20 H new ATOM 0 HG21 ILE A 16 6.840 -7.793 -13.173 1.00 13.22 H new ATOM 0 HG22 ILE A 16 7.532 -7.527 -11.555 1.00 13.22 H new ATOM 0 HG23 ILE A 16 7.170 -6.138 -12.607 1.00 13.22 H new ATOM 0 HD11 ILE A 16 8.645 -5.242 -16.090 1.00 53.52 H new ATOM 0 HD12 ILE A 16 7.640 -5.145 -14.624 1.00 53.52 H new ATOM 0 HD13 ILE A 16 9.376 -4.763 -14.540 1.00 53.52 H new ATOM 271 N LYS A 17 10.552 -7.914 -10.498 1.00 63.31 N ATOM 272 CA LYS A 17 10.558 -8.398 -9.090 1.00 1.45 C ATOM 273 C LYS A 17 11.470 -7.539 -8.176 1.00 43.25 C ATOM 274 O LYS A 17 11.269 -7.518 -6.970 1.00 4.03 O ATOM 275 CB LYS A 17 10.931 -9.898 -8.987 1.00 53.41 C ATOM 276 CG LYS A 17 12.366 -10.253 -9.424 1.00 65.44 C ATOM 277 CD LYS A 17 12.705 -11.747 -9.200 1.00 32.51 C ATOM 278 CE LYS A 17 11.777 -12.708 -9.967 1.00 25.13 C ATOM 279 NZ LYS A 17 12.118 -14.129 -9.698 1.00 42.32 N ATOM 0 H LYS A 17 11.055 -8.516 -11.150 1.00 63.31 H new ATOM 0 HA LYS A 17 9.535 -8.287 -8.731 1.00 1.45 H new ATOM 0 HB2 LYS A 17 10.794 -10.219 -7.955 1.00 53.41 H new ATOM 0 HB3 LYS A 17 10.232 -10.472 -9.595 1.00 53.41 H new ATOM 0 HG2 LYS A 17 12.491 -10.010 -10.479 1.00 65.44 H new ATOM 0 HG3 LYS A 17 13.074 -9.637 -8.869 1.00 65.44 H new ATOM 0 HD2 LYS A 17 13.735 -11.928 -9.506 1.00 32.51 H new ATOM 0 HD3 LYS A 17 12.645 -11.969 -8.135 1.00 32.51 H new ATOM 0 HE2 LYS A 17 10.742 -12.521 -9.681 1.00 25.13 H new ATOM 0 HE3 LYS A 17 11.852 -12.511 -11.036 1.00 25.13 H new ATOM 0 HZ1 LYS A 17 11.473 -14.747 -10.230 1.00 42.32 H new ATOM 0 HZ2 LYS A 17 13.098 -14.313 -9.994 1.00 42.32 H new ATOM 0 HZ3 LYS A 17 12.022 -14.323 -8.681 1.00 42.32 H new ATOM 293 N THR A 18 12.489 -6.868 -8.754 1.00 64.52 N ATOM 294 CA THR A 18 13.279 -5.822 -8.037 1.00 14.31 C ATOM 295 C THR A 18 12.397 -4.584 -7.696 1.00 10.42 C ATOM 296 O THR A 18 12.513 -4.005 -6.616 1.00 23.14 O ATOM 297 CB THR A 18 14.535 -5.389 -8.875 1.00 74.33 C ATOM 298 OG1 THR A 18 15.375 -6.533 -9.113 1.00 4.44 O ATOM 299 CG2 THR A 18 15.374 -4.290 -8.186 1.00 31.33 C ATOM 0 H THR A 18 12.791 -7.026 -9.715 1.00 64.52 H new ATOM 0 HA THR A 18 13.627 -6.258 -7.101 1.00 14.31 H new ATOM 0 HB THR A 18 14.159 -4.976 -9.811 1.00 74.33 H new ATOM 0 HG1 THR A 18 14.986 -7.082 -9.825 1.00 4.44 H new ATOM 0 HG21 THR A 18 16.227 -4.035 -8.815 1.00 31.33 H new ATOM 0 HG22 THR A 18 14.758 -3.404 -8.033 1.00 31.33 H new ATOM 0 HG23 THR A 18 15.730 -4.655 -7.222 1.00 31.33 H new ATOM 307 N LEU A 19 11.507 -4.226 -8.639 1.00 33.11 N ATOM 308 CA LEU A 19 10.483 -3.156 -8.457 1.00 13.44 C ATOM 309 C LEU A 19 9.462 -3.577 -7.355 1.00 42.42 C ATOM 310 O LEU A 19 9.058 -2.764 -6.514 1.00 73.00 O ATOM 311 CB LEU A 19 9.806 -2.881 -9.847 1.00 11.23 C ATOM 312 CG LEU A 19 8.755 -1.706 -9.962 1.00 65.11 C ATOM 313 CD1 LEU A 19 8.670 -1.168 -11.411 1.00 70.12 C ATOM 314 CD2 LEU A 19 7.340 -2.129 -9.493 1.00 1.52 C ATOM 0 H LEU A 19 11.470 -4.668 -9.558 1.00 33.11 H new ATOM 0 HA LEU A 19 10.940 -2.228 -8.113 1.00 13.44 H new ATOM 0 HB2 LEU A 19 10.600 -2.686 -10.568 1.00 11.23 H new ATOM 0 HB3 LEU A 19 9.310 -3.800 -10.160 1.00 11.23 H new ATOM 0 HG LEU A 19 9.113 -0.917 -9.301 1.00 65.11 H new ATOM 0 HD11 LEU A 19 7.939 -0.361 -11.457 1.00 70.12 H new ATOM 0 HD12 LEU A 19 9.646 -0.791 -11.717 1.00 70.12 H new ATOM 0 HD13 LEU A 19 8.365 -1.972 -12.080 1.00 70.12 H new ATOM 0 HD21 LEU A 19 6.657 -1.286 -9.592 1.00 1.52 H new ATOM 0 HD22 LEU A 19 6.986 -2.957 -10.107 1.00 1.52 H new ATOM 0 HD23 LEU A 19 7.381 -2.442 -8.450 1.00 1.52 H new ATOM 326 N ILE A 20 9.086 -4.870 -7.375 1.00 50.34 N ATOM 327 CA ILE A 20 8.171 -5.499 -6.388 1.00 34.24 C ATOM 328 C ILE A 20 8.806 -5.545 -4.969 1.00 13.51 C ATOM 329 O ILE A 20 8.150 -5.219 -3.975 1.00 13.34 O ATOM 330 CB ILE A 20 7.782 -6.956 -6.879 1.00 13.31 C ATOM 331 CG1 ILE A 20 6.913 -6.869 -8.175 1.00 13.24 C ATOM 332 CG2 ILE A 20 7.080 -7.803 -5.787 1.00 63.23 C ATOM 333 CD1 ILE A 20 6.552 -8.201 -8.815 1.00 55.13 C ATOM 0 H ILE A 20 9.412 -5.523 -8.088 1.00 50.34 H new ATOM 0 HA ILE A 20 7.269 -4.891 -6.317 1.00 34.24 H new ATOM 0 HB ILE A 20 8.712 -7.477 -7.104 1.00 13.31 H new ATOM 0 HG12 ILE A 20 5.991 -6.339 -7.938 1.00 13.24 H new ATOM 0 HG13 ILE A 20 7.447 -6.266 -8.909 1.00 13.24 H new ATOM 0 HG21 ILE A 20 6.841 -8.788 -6.188 1.00 63.23 H new ATOM 0 HG22 ILE A 20 7.743 -7.912 -4.929 1.00 63.23 H new ATOM 0 HG23 ILE A 20 6.162 -7.306 -5.475 1.00 63.23 H new ATOM 0 HD11 ILE A 20 5.949 -8.025 -9.706 1.00 55.13 H new ATOM 0 HD12 ILE A 20 7.464 -8.730 -9.093 1.00 55.13 H new ATOM 0 HD13 ILE A 20 5.984 -8.803 -8.106 1.00 55.13 H new ATOM 345 N SER A 21 10.097 -5.927 -4.899 1.00 34.35 N ATOM 346 CA SER A 21 10.850 -6.035 -3.618 1.00 41.42 C ATOM 347 C SER A 21 11.132 -4.649 -3.013 1.00 1.12 C ATOM 348 O SER A 21 11.147 -4.498 -1.798 1.00 34.14 O ATOM 349 CB SER A 21 12.180 -6.803 -3.821 1.00 74.11 C ATOM 350 OG SER A 21 11.945 -8.139 -4.242 1.00 71.13 O ATOM 0 H SER A 21 10.651 -6.170 -5.720 1.00 34.35 H new ATOM 0 HA SER A 21 10.224 -6.592 -2.921 1.00 41.42 H new ATOM 0 HB2 SER A 21 12.790 -6.288 -4.563 1.00 74.11 H new ATOM 0 HB3 SER A 21 12.746 -6.807 -2.889 1.00 74.11 H new ATOM 0 HG SER A 21 11.704 -8.145 -5.192 1.00 71.13 H new ATOM 356 N ALA A 22 11.384 -3.658 -3.889 1.00 54.33 N ATOM 357 CA ALA A 22 11.530 -2.234 -3.500 1.00 21.00 C ATOM 358 C ALA A 22 10.219 -1.655 -2.913 1.00 2.41 C ATOM 359 O ALA A 22 10.251 -0.861 -1.962 1.00 31.40 O ATOM 360 CB ALA A 22 11.982 -1.407 -4.707 1.00 11.54 C ATOM 0 H ALA A 22 11.493 -3.818 -4.890 1.00 54.33 H new ATOM 0 HA ALA A 22 12.287 -2.180 -2.718 1.00 21.00 H new ATOM 0 HB1 ALA A 22 12.087 -0.362 -4.414 1.00 11.54 H new ATOM 0 HB2 ALA A 22 12.941 -1.781 -5.066 1.00 11.54 H new ATOM 0 HB3 ALA A 22 11.240 -1.488 -5.502 1.00 11.54 H new ATOM 366 N ALA A 23 9.076 -2.067 -3.499 1.00 4.32 N ATOM 367 CA ALA A 23 7.728 -1.692 -3.015 1.00 63.32 C ATOM 368 C ALA A 23 7.475 -2.239 -1.589 1.00 3.33 C ATOM 369 O ALA A 23 6.934 -1.543 -0.725 1.00 3.11 O ATOM 370 CB ALA A 23 6.665 -2.211 -4.000 1.00 52.22 C ATOM 0 H ALA A 23 9.060 -2.670 -4.322 1.00 4.32 H new ATOM 0 HA ALA A 23 7.663 -0.605 -2.962 1.00 63.32 H new ATOM 0 HB1 ALA A 23 5.673 -1.935 -3.643 1.00 52.22 H new ATOM 0 HB2 ALA A 23 6.833 -1.770 -4.983 1.00 52.22 H new ATOM 0 HB3 ALA A 23 6.735 -3.296 -4.073 1.00 52.22 H new ATOM 376 N TYR A 24 7.904 -3.494 -1.364 1.00 13.13 N ATOM 377 CA TYR A 24 7.789 -4.176 -0.054 1.00 11.41 C ATOM 378 C TYR A 24 8.765 -3.571 0.992 1.00 54.12 C ATOM 379 O TYR A 24 8.412 -3.388 2.159 1.00 11.11 O ATOM 380 CB TYR A 24 8.051 -5.703 -0.224 1.00 20.44 C ATOM 381 CG TYR A 24 7.062 -6.469 -1.133 1.00 50.12 C ATOM 382 CD1 TYR A 24 5.909 -5.874 -1.654 1.00 72.31 C ATOM 383 CD2 TYR A 24 7.290 -7.810 -1.462 1.00 5.52 C ATOM 384 CE1 TYR A 24 5.039 -6.580 -2.456 1.00 34.52 C ATOM 385 CE2 TYR A 24 6.414 -8.513 -2.264 1.00 31.01 C ATOM 386 CZ TYR A 24 5.291 -7.894 -2.756 1.00 13.51 C ATOM 387 OH TYR A 24 4.418 -8.597 -3.558 1.00 5.12 O ATOM 0 H TYR A 24 8.342 -4.068 -2.084 1.00 13.13 H new ATOM 0 HA TYR A 24 6.775 -4.025 0.317 1.00 11.41 H new ATOM 0 HB2 TYR A 24 9.056 -5.836 -0.624 1.00 20.44 H new ATOM 0 HB3 TYR A 24 8.037 -6.165 0.763 1.00 20.44 H new ATOM 0 HD1 TYR A 24 5.696 -4.841 -1.423 1.00 72.31 H new ATOM 0 HD2 TYR A 24 8.170 -8.305 -1.080 1.00 5.52 H new ATOM 0 HE1 TYR A 24 4.157 -6.097 -2.849 1.00 34.52 H new ATOM 0 HE2 TYR A 24 6.611 -9.547 -2.504 1.00 31.01 H new ATOM 0 HH TYR A 24 3.838 -9.155 -2.999 1.00 5.12 H new ATOM 397 N ARG A 25 9.992 -3.271 0.538 1.00 54.02 N ATOM 398 CA ARG A 25 11.069 -2.669 1.370 1.00 43.31 C ATOM 399 C ARG A 25 10.672 -1.283 1.935 1.00 24.52 C ATOM 400 O ARG A 25 11.048 -0.928 3.062 1.00 53.20 O ATOM 401 CB ARG A 25 12.414 -2.592 0.543 1.00 30.31 C ATOM 402 CG ARG A 25 13.592 -3.452 1.100 1.00 42.03 C ATOM 403 CD ARG A 25 14.506 -2.695 2.099 1.00 1.10 C ATOM 404 NE ARG A 25 13.761 -2.026 3.195 1.00 11.12 N ATOM 405 CZ ARG A 25 13.802 -2.343 4.475 1.00 33.15 C ATOM 406 NH1 ARG A 25 14.478 -3.366 4.904 1.00 21.13 N ATOM 407 NH2 ARG A 25 13.136 -1.632 5.329 1.00 5.45 N ATOM 0 H ARG A 25 10.277 -3.438 -0.427 1.00 54.02 H new ATOM 0 HA ARG A 25 11.224 -3.317 2.232 1.00 43.31 H new ATOM 0 HB2 ARG A 25 12.210 -2.906 -0.481 1.00 30.31 H new ATOM 0 HB3 ARG A 25 12.735 -1.551 0.500 1.00 30.31 H new ATOM 0 HG2 ARG A 25 13.183 -4.334 1.593 1.00 42.03 H new ATOM 0 HG3 ARG A 25 14.197 -3.805 0.265 1.00 42.03 H new ATOM 0 HD2 ARG A 25 15.218 -3.398 2.531 1.00 1.10 H new ATOM 0 HD3 ARG A 25 15.085 -1.948 1.555 1.00 1.10 H new ATOM 0 HE ARG A 25 13.159 -1.245 2.933 1.00 11.12 H new ATOM 0 HH11 ARG A 25 14.995 -3.948 4.245 1.00 21.13 H new ATOM 0 HH12 ARG A 25 14.492 -3.587 5.900 1.00 21.13 H new ATOM 0 HH21 ARG A 25 12.586 -0.835 5.010 1.00 5.45 H new ATOM 0 HH22 ARG A 25 13.162 -1.870 6.321 1.00 5.45 H new ATOM 421 N GLN A 26 9.921 -0.508 1.137 1.00 5.13 N ATOM 422 CA GLN A 26 9.446 0.832 1.537 1.00 71.35 C ATOM 423 C GLN A 26 8.200 0.705 2.456 1.00 52.01 C ATOM 424 O GLN A 26 8.240 1.085 3.627 1.00 60.44 O ATOM 425 CB GLN A 26 9.134 1.677 0.253 1.00 61.51 C ATOM 426 CG GLN A 26 9.118 3.221 0.427 1.00 53.53 C ATOM 427 CD GLN A 26 7.958 3.778 1.267 1.00 3.23 C ATOM 428 OE1 GLN A 26 8.059 3.955 2.480 1.00 22.55 O ATOM 429 NE2 GLN A 26 6.846 4.052 0.629 1.00 41.44 N ATOM 0 H GLN A 26 9.626 -0.787 0.201 1.00 5.13 H new ATOM 0 HA GLN A 26 10.221 1.346 2.105 1.00 71.35 H new ATOM 0 HB2 GLN A 26 9.873 1.427 -0.508 1.00 61.51 H new ATOM 0 HB3 GLN A 26 8.163 1.367 -0.132 1.00 61.51 H new ATOM 0 HG2 GLN A 26 10.057 3.527 0.887 1.00 53.53 H new ATOM 0 HG3 GLN A 26 9.082 3.681 -0.561 1.00 53.53 H new ATOM 0 HE21 GLN A 26 6.784 3.898 -0.377 1.00 41.44 H new ATOM 0 HE22 GLN A 26 6.043 4.420 1.139 1.00 41.44 H new ATOM 438 N ILE A 27 7.111 0.139 1.902 1.00 15.21 N ATOM 439 CA ILE A 27 5.777 0.098 2.557 1.00 30.13 C ATOM 440 C ILE A 27 5.762 -0.793 3.831 1.00 63.34 C ATOM 441 O ILE A 27 5.389 -0.332 4.917 1.00 11.42 O ATOM 442 CB ILE A 27 4.681 -0.387 1.529 1.00 52.41 C ATOM 443 CG1 ILE A 27 4.616 0.584 0.306 1.00 43.33 C ATOM 444 CG2 ILE A 27 3.287 -0.543 2.189 1.00 64.33 C ATOM 445 CD1 ILE A 27 3.647 0.166 -0.784 1.00 73.02 C ATOM 0 H ILE A 27 7.125 -0.306 0.984 1.00 15.21 H new ATOM 0 HA ILE A 27 5.547 1.113 2.881 1.00 30.13 H new ATOM 0 HB ILE A 27 4.976 -1.376 1.177 1.00 52.41 H new ATOM 0 HG12 ILE A 27 4.336 1.576 0.661 1.00 43.33 H new ATOM 0 HG13 ILE A 27 5.613 0.670 -0.126 1.00 43.33 H new ATOM 0 HG21 ILE A 27 2.567 -0.878 1.443 1.00 64.33 H new ATOM 0 HG22 ILE A 27 3.345 -1.277 2.993 1.00 64.33 H new ATOM 0 HG23 ILE A 27 2.968 0.416 2.596 1.00 64.33 H new ATOM 0 HD11 ILE A 27 3.669 0.898 -1.591 1.00 73.02 H new ATOM 0 HD12 ILE A 27 3.936 -0.811 -1.172 1.00 73.02 H new ATOM 0 HD13 ILE A 27 2.639 0.110 -0.373 1.00 73.02 H new ATOM 457 N PHE A 28 6.194 -2.058 3.686 1.00 42.12 N ATOM 458 CA PHE A 28 6.180 -3.054 4.792 1.00 52.31 C ATOM 459 C PHE A 28 7.367 -2.854 5.770 1.00 32.25 C ATOM 460 O PHE A 28 7.400 -3.504 6.823 1.00 1.55 O ATOM 461 CB PHE A 28 6.204 -4.502 4.220 1.00 1.14 C ATOM 462 CG PHE A 28 5.011 -4.878 3.340 1.00 61.02 C ATOM 463 CD1 PHE A 28 4.876 -4.359 2.051 1.00 54.52 C ATOM 464 CD2 PHE A 28 4.034 -5.765 3.787 1.00 75.35 C ATOM 465 CE1 PHE A 28 3.813 -4.711 1.248 1.00 45.13 C ATOM 466 CE2 PHE A 28 2.969 -6.115 2.981 1.00 41.04 C ATOM 467 CZ PHE A 28 2.858 -5.589 1.713 1.00 52.33 C ATOM 0 H PHE A 28 6.562 -2.425 2.808 1.00 42.12 H new ATOM 0 HA PHE A 28 5.258 -2.900 5.352 1.00 52.31 H new ATOM 0 HB2 PHE A 28 7.117 -4.630 3.639 1.00 1.14 H new ATOM 0 HB3 PHE A 28 6.255 -5.203 5.053 1.00 1.14 H new ATOM 0 HD1 PHE A 28 5.618 -3.669 1.677 1.00 54.52 H new ATOM 0 HD2 PHE A 28 4.111 -6.185 4.779 1.00 75.35 H new ATOM 0 HE1 PHE A 28 3.728 -4.299 0.253 1.00 45.13 H new ATOM 0 HE2 PHE A 28 2.221 -6.803 3.346 1.00 41.04 H new ATOM 0 HZ PHE A 28 2.024 -5.864 1.084 1.00 52.33 H new ATOM 477 N GLU A 29 8.323 -1.953 5.406 1.00 42.21 N ATOM 478 CA GLU A 29 9.516 -1.607 6.230 1.00 50.13 C ATOM 479 C GLU A 29 10.346 -2.867 6.644 1.00 62.13 C ATOM 480 O GLU A 29 10.783 -3.030 7.795 1.00 40.23 O ATOM 481 CB GLU A 29 9.061 -0.755 7.461 1.00 2.22 C ATOM 482 CG GLU A 29 10.188 -0.068 8.261 1.00 65.11 C ATOM 483 CD GLU A 29 10.969 0.989 7.455 1.00 73.42 C ATOM 484 OE1 GLU A 29 10.511 2.151 7.392 1.00 74.02 O ATOM 485 OE2 GLU A 29 12.050 0.663 6.897 1.00 71.14 O ATOM 0 H GLU A 29 8.286 -1.442 4.524 1.00 42.21 H new ATOM 0 HA GLU A 29 10.197 -1.008 5.625 1.00 50.13 H new ATOM 0 HB2 GLU A 29 8.371 0.013 7.111 1.00 2.22 H new ATOM 0 HB3 GLU A 29 8.503 -1.401 8.139 1.00 2.22 H new ATOM 0 HG2 GLU A 29 9.757 0.406 9.143 1.00 65.11 H new ATOM 0 HG3 GLU A 29 10.884 -0.828 8.616 1.00 65.11 H new ATOM 492 N ARG A 30 10.581 -3.749 5.660 1.00 32.20 N ATOM 493 CA ARG A 30 11.283 -5.034 5.881 1.00 4.23 C ATOM 494 C ARG A 30 11.978 -5.524 4.587 1.00 1.14 C ATOM 495 O ARG A 30 11.905 -4.882 3.542 1.00 51.33 O ATOM 496 CB ARG A 30 10.273 -6.111 6.371 1.00 72.43 C ATOM 497 CG ARG A 30 9.198 -6.492 5.324 1.00 70.52 C ATOM 498 CD ARG A 30 8.386 -7.746 5.713 1.00 22.51 C ATOM 499 NE ARG A 30 7.396 -7.488 6.762 1.00 21.51 N ATOM 500 CZ ARG A 30 7.477 -7.879 8.013 1.00 13.45 C ATOM 501 NH1 ARG A 30 8.550 -8.420 8.505 1.00 53.32 N ATOM 502 NH2 ARG A 30 6.472 -7.697 8.779 1.00 33.15 N ATOM 0 H ARG A 30 10.294 -3.598 4.693 1.00 32.20 H new ATOM 0 HA ARG A 30 12.048 -4.874 6.641 1.00 4.23 H new ATOM 0 HB2 ARG A 30 10.824 -7.008 6.654 1.00 72.43 H new ATOM 0 HB3 ARG A 30 9.776 -5.746 7.270 1.00 72.43 H new ATOM 0 HG2 ARG A 30 8.516 -5.652 5.192 1.00 70.52 H new ATOM 0 HG3 ARG A 30 9.682 -6.664 4.363 1.00 70.52 H new ATOM 0 HD2 ARG A 30 7.878 -8.131 4.829 1.00 22.51 H new ATOM 0 HD3 ARG A 30 9.070 -8.524 6.051 1.00 22.51 H new ATOM 0 HE ARG A 30 6.568 -6.956 6.496 1.00 21.51 H new ATOM 0 HH11 ARG A 30 9.370 -8.555 7.914 1.00 53.32 H new ATOM 0 HH12 ARG A 30 8.573 -8.710 9.483 1.00 53.32 H new ATOM 0 HH21 ARG A 30 5.627 -7.255 8.416 1.00 33.15 H new ATOM 0 HH22 ARG A 30 6.514 -7.993 9.754 1.00 33.15 H new ATOM 516 N ASP A 31 12.623 -6.690 4.680 1.00 32.24 N ATOM 517 CA ASP A 31 13.258 -7.367 3.533 1.00 11.12 C ATOM 518 C ASP A 31 12.696 -8.804 3.461 1.00 12.14 C ATOM 519 O ASP A 31 12.992 -9.635 4.329 1.00 61.03 O ATOM 520 CB ASP A 31 14.798 -7.355 3.712 1.00 1.45 C ATOM 521 CG ASP A 31 15.577 -7.723 2.439 1.00 60.11 C ATOM 522 OD1 ASP A 31 15.594 -8.910 2.054 1.00 31.43 O ATOM 523 OD2 ASP A 31 16.187 -6.822 1.816 1.00 35.23 O ATOM 0 H ASP A 31 12.723 -7.199 5.558 1.00 32.24 H new ATOM 0 HA ASP A 31 13.038 -6.854 2.597 1.00 11.12 H new ATOM 0 HB2 ASP A 31 15.108 -6.363 4.041 1.00 1.45 H new ATOM 0 HB3 ASP A 31 15.067 -8.053 4.505 1.00 1.45 H new ATOM 528 N ILE A 32 11.844 -9.073 2.456 1.00 4.53 N ATOM 529 CA ILE A 32 11.135 -10.367 2.331 1.00 33.42 C ATOM 530 C ILE A 32 11.953 -11.362 1.478 1.00 44.01 C ATOM 531 O ILE A 32 12.547 -10.976 0.462 1.00 14.31 O ATOM 532 CB ILE A 32 9.696 -10.184 1.693 1.00 3.11 C ATOM 533 CG1 ILE A 32 8.916 -9.047 2.425 1.00 73.34 C ATOM 534 CG2 ILE A 32 8.893 -11.514 1.728 1.00 44.35 C ATOM 535 CD1 ILE A 32 7.482 -8.825 1.963 1.00 62.42 C ATOM 0 H ILE A 32 11.626 -8.410 1.712 1.00 4.53 H new ATOM 0 HA ILE A 32 11.019 -10.767 3.338 1.00 33.42 H new ATOM 0 HB ILE A 32 9.823 -9.900 0.648 1.00 3.11 H new ATOM 0 HG12 ILE A 32 8.904 -9.269 3.492 1.00 73.34 H new ATOM 0 HG13 ILE A 32 9.467 -8.115 2.299 1.00 73.34 H new ATOM 0 HG21 ILE A 32 7.910 -11.357 1.284 1.00 44.35 H new ATOM 0 HG22 ILE A 32 9.429 -12.277 1.164 1.00 44.35 H new ATOM 0 HG23 ILE A 32 8.776 -11.841 2.761 1.00 44.35 H new ATOM 0 HD11 ILE A 32 7.036 -8.013 2.538 1.00 62.42 H new ATOM 0 HD12 ILE A 32 7.477 -8.565 0.904 1.00 62.42 H new ATOM 0 HD13 ILE A 32 6.905 -9.737 2.116 1.00 62.42 H new ATOM 547 N ALA A 33 11.966 -12.644 1.904 1.00 30.45 N ATOM 548 CA ALA A 33 12.571 -13.743 1.132 1.00 20.41 C ATOM 549 C ALA A 33 11.760 -13.983 -0.175 1.00 64.41 C ATOM 550 O ALA A 33 10.523 -13.999 -0.115 1.00 64.02 O ATOM 551 CB ALA A 33 12.626 -15.011 1.992 1.00 10.13 C ATOM 0 H ALA A 33 11.558 -12.942 2.790 1.00 30.45 H new ATOM 0 HA ALA A 33 13.590 -13.475 0.853 1.00 20.41 H new ATOM 0 HB1 ALA A 33 13.074 -15.821 1.417 1.00 10.13 H new ATOM 0 HB2 ALA A 33 13.227 -14.822 2.881 1.00 10.13 H new ATOM 0 HB3 ALA A 33 11.616 -15.293 2.290 1.00 10.13 H new ATOM 557 N PRO A 34 12.441 -14.190 -1.360 1.00 1.53 N ATOM 558 CA PRO A 34 11.779 -14.207 -2.709 1.00 14.21 C ATOM 559 C PRO A 34 10.544 -15.135 -2.791 1.00 11.32 C ATOM 560 O PRO A 34 9.495 -14.748 -3.310 1.00 71.44 O ATOM 561 CB PRO A 34 12.911 -14.703 -3.650 1.00 62.12 C ATOM 562 CG PRO A 34 14.177 -14.291 -2.962 1.00 21.40 C ATOM 563 CD PRO A 34 13.906 -14.438 -1.481 1.00 4.04 C ATOM 0 HA PRO A 34 11.378 -13.227 -2.967 1.00 14.21 H new ATOM 0 HB2 PRO A 34 12.868 -15.783 -3.788 1.00 62.12 H new ATOM 0 HB3 PRO A 34 12.832 -14.252 -4.639 1.00 62.12 H new ATOM 0 HG2 PRO A 34 15.013 -14.919 -3.271 1.00 21.40 H new ATOM 0 HG3 PRO A 34 14.441 -13.263 -3.211 1.00 21.40 H new ATOM 0 HD2 PRO A 34 14.174 -15.432 -1.122 1.00 4.04 H new ATOM 0 HD3 PRO A 34 14.482 -13.721 -0.896 1.00 4.04 H new ATOM 571 N TYR A 35 10.697 -16.340 -2.222 1.00 13.24 N ATOM 572 CA TYR A 35 9.638 -17.368 -2.173 1.00 64.01 C ATOM 573 C TYR A 35 8.437 -16.946 -1.272 1.00 73.21 C ATOM 574 O TYR A 35 7.296 -17.086 -1.694 1.00 54.30 O ATOM 575 CB TYR A 35 10.234 -18.744 -1.753 1.00 34.04 C ATOM 576 CG TYR A 35 11.175 -18.706 -0.535 1.00 25.33 C ATOM 577 CD1 TYR A 35 10.696 -18.861 0.762 1.00 23.42 C ATOM 578 CD2 TYR A 35 12.556 -18.510 -0.692 1.00 72.05 C ATOM 579 CE1 TYR A 35 11.541 -18.823 1.851 1.00 43.14 C ATOM 580 CE2 TYR A 35 13.401 -18.471 0.397 1.00 41.14 C ATOM 581 CZ TYR A 35 12.888 -18.626 1.665 1.00 14.42 C ATOM 582 OH TYR A 35 13.728 -18.578 2.750 1.00 72.34 O ATOM 0 H TYR A 35 11.567 -16.634 -1.778 1.00 13.24 H new ATOM 0 HA TYR A 35 9.231 -17.471 -3.179 1.00 64.01 H new ATOM 0 HB2 TYR A 35 9.413 -19.427 -1.536 1.00 34.04 H new ATOM 0 HB3 TYR A 35 10.779 -19.160 -2.600 1.00 34.04 H new ATOM 0 HD1 TYR A 35 9.639 -19.015 0.919 1.00 23.42 H new ATOM 0 HD2 TYR A 35 12.964 -18.387 -1.684 1.00 72.05 H new ATOM 0 HE1 TYR A 35 11.145 -18.948 2.848 1.00 43.14 H new ATOM 0 HE2 TYR A 35 14.461 -18.319 0.256 1.00 41.14 H new ATOM 0 HH TYR A 35 14.648 -18.433 2.445 1.00 72.34 H new ATOM 592 N ILE A 36 8.705 -16.387 -0.062 1.00 75.41 N ATOM 593 CA ILE A 36 7.630 -15.922 0.880 1.00 32.14 C ATOM 594 C ILE A 36 6.714 -14.857 0.209 1.00 71.25 C ATOM 595 O ILE A 36 5.478 -14.927 0.309 1.00 4.14 O ATOM 596 CB ILE A 36 8.236 -15.330 2.219 1.00 14.13 C ATOM 597 CG1 ILE A 36 9.054 -16.414 2.993 1.00 62.44 C ATOM 598 CG2 ILE A 36 7.137 -14.712 3.131 1.00 33.15 C ATOM 599 CD1 ILE A 36 9.707 -15.937 4.287 1.00 63.43 C ATOM 0 H ILE A 36 9.651 -16.244 0.291 1.00 75.41 H new ATOM 0 HA ILE A 36 7.033 -16.799 1.129 1.00 32.14 H new ATOM 0 HB ILE A 36 8.915 -14.526 1.935 1.00 14.13 H new ATOM 0 HG12 ILE A 36 8.392 -17.248 3.225 1.00 62.44 H new ATOM 0 HG13 ILE A 36 9.832 -16.799 2.333 1.00 62.44 H new ATOM 0 HG21 ILE A 36 7.596 -14.318 4.038 1.00 33.15 H new ATOM 0 HG22 ILE A 36 6.634 -13.905 2.599 1.00 33.15 H new ATOM 0 HG23 ILE A 36 6.410 -15.480 3.396 1.00 33.15 H new ATOM 0 HD11 ILE A 36 10.250 -16.763 4.747 1.00 63.43 H new ATOM 0 HD12 ILE A 36 10.400 -15.125 4.067 1.00 63.43 H new ATOM 0 HD13 ILE A 36 8.938 -15.582 4.973 1.00 63.43 H new ATOM 611 N ALA A 37 7.358 -13.909 -0.500 1.00 71.42 N ATOM 612 CA ALA A 37 6.682 -12.821 -1.247 1.00 15.41 C ATOM 613 C ALA A 37 5.709 -13.376 -2.316 1.00 64.42 C ATOM 614 O ALA A 37 4.550 -12.982 -2.377 1.00 53.21 O ATOM 615 CB ALA A 37 7.747 -11.918 -1.902 1.00 54.44 C ATOM 0 H ALA A 37 8.375 -13.874 -0.573 1.00 71.42 H new ATOM 0 HA ALA A 37 6.086 -12.238 -0.544 1.00 15.41 H new ATOM 0 HB1 ALA A 37 7.255 -11.116 -2.453 1.00 54.44 H new ATOM 0 HB2 ALA A 37 8.385 -11.489 -1.130 1.00 54.44 H new ATOM 0 HB3 ALA A 37 8.354 -12.510 -2.587 1.00 54.44 H new ATOM 621 N GLN A 38 6.196 -14.339 -3.113 1.00 23.34 N ATOM 622 CA GLN A 38 5.399 -14.917 -4.227 1.00 72.12 C ATOM 623 C GLN A 38 4.396 -15.997 -3.745 1.00 54.53 C ATOM 624 O GLN A 38 3.543 -16.421 -4.513 1.00 3.12 O ATOM 625 CB GLN A 38 6.297 -15.427 -5.377 1.00 21.03 C ATOM 626 CG GLN A 38 7.333 -16.490 -4.999 1.00 72.23 C ATOM 627 CD GLN A 38 8.309 -16.846 -6.133 1.00 25.12 C ATOM 628 OE1 GLN A 38 8.798 -17.967 -6.214 1.00 15.52 O ATOM 629 NE2 GLN A 38 8.604 -15.904 -7.018 1.00 14.24 N ATOM 0 H GLN A 38 7.130 -14.737 -3.015 1.00 23.34 H new ATOM 0 HA GLN A 38 4.798 -14.102 -4.631 1.00 72.12 H new ATOM 0 HB2 GLN A 38 5.656 -15.835 -6.159 1.00 21.03 H new ATOM 0 HB3 GLN A 38 6.821 -14.574 -5.808 1.00 21.03 H new ATOM 0 HG2 GLN A 38 7.904 -16.137 -4.140 1.00 72.23 H new ATOM 0 HG3 GLN A 38 6.812 -17.394 -4.685 1.00 72.23 H new ATOM 0 HE21 GLN A 38 8.187 -14.977 -6.934 1.00 14.24 H new ATOM 0 HE22 GLN A 38 9.248 -16.106 -7.783 1.00 14.24 H new ATOM 638 N ASN A 39 4.514 -16.469 -2.487 1.00 73.31 N ATOM 639 CA ASN A 39 3.515 -17.393 -1.881 1.00 1.25 C ATOM 640 C ASN A 39 2.268 -16.632 -1.367 1.00 64.14 C ATOM 641 O ASN A 39 1.133 -17.043 -1.637 1.00 15.40 O ATOM 642 CB ASN A 39 4.156 -18.242 -0.755 1.00 0.12 C ATOM 643 CG ASN A 39 5.194 -19.235 -1.292 1.00 51.03 C ATOM 644 OD1 ASN A 39 5.092 -19.723 -2.416 1.00 11.00 O ATOM 645 ND2 ASN A 39 6.194 -19.548 -0.496 1.00 43.41 N ATOM 0 H ASN A 39 5.287 -16.230 -1.866 1.00 73.31 H new ATOM 0 HA ASN A 39 3.179 -18.071 -2.665 1.00 1.25 H new ATOM 0 HB2 ASN A 39 4.631 -17.581 -0.030 1.00 0.12 H new ATOM 0 HB3 ASN A 39 3.375 -18.788 -0.225 1.00 0.12 H new ATOM 0 HD21 ASN A 39 6.906 -20.209 -0.807 1.00 43.41 H new ATOM 0 HD22 ASN A 39 6.257 -19.130 0.432 1.00 43.41 H new ATOM 652 N GLU A 40 2.485 -15.528 -0.626 1.00 71.43 N ATOM 653 CA GLU A 40 1.378 -14.657 -0.151 1.00 74.10 C ATOM 654 C GLU A 40 0.759 -13.858 -1.321 1.00 43.41 C ATOM 655 O GLU A 40 -0.464 -13.725 -1.422 1.00 4.12 O ATOM 656 CB GLU A 40 1.870 -13.695 0.969 1.00 10.23 C ATOM 657 CG GLU A 40 2.302 -14.404 2.270 1.00 32.33 C ATOM 658 CD GLU A 40 2.680 -13.426 3.405 1.00 14.20 C ATOM 659 OE1 GLU A 40 1.761 -12.898 4.077 1.00 54.24 O ATOM 660 OE2 GLU A 40 3.887 -13.207 3.648 1.00 65.12 O ATOM 0 H GLU A 40 3.413 -15.214 -0.341 1.00 71.43 H new ATOM 0 HA GLU A 40 0.604 -15.300 0.267 1.00 74.10 H new ATOM 0 HB2 GLU A 40 2.710 -13.114 0.589 1.00 10.23 H new ATOM 0 HB3 GLU A 40 1.073 -12.989 1.201 1.00 10.23 H new ATOM 0 HG2 GLU A 40 1.491 -15.048 2.610 1.00 32.33 H new ATOM 0 HG3 GLU A 40 3.154 -15.049 2.058 1.00 32.33 H new ATOM 667 N PHE A 41 1.625 -13.333 -2.197 1.00 61.42 N ATOM 668 CA PHE A 41 1.219 -12.565 -3.398 1.00 4.43 C ATOM 669 C PHE A 41 1.408 -13.412 -4.690 1.00 64.45 C ATOM 670 O PHE A 41 2.077 -12.981 -5.636 1.00 54.33 O ATOM 671 CB PHE A 41 2.045 -11.240 -3.455 1.00 51.24 C ATOM 672 CG PHE A 41 1.990 -10.408 -2.166 1.00 13.14 C ATOM 673 CD1 PHE A 41 0.915 -9.560 -1.901 1.00 51.33 C ATOM 674 CD2 PHE A 41 3.014 -10.486 -1.212 1.00 42.51 C ATOM 675 CE1 PHE A 41 0.867 -8.818 -0.733 1.00 53.41 C ATOM 676 CE2 PHE A 41 2.963 -9.745 -0.047 1.00 3.41 C ATOM 677 CZ PHE A 41 1.890 -8.910 0.193 1.00 5.35 C ATOM 0 H PHE A 41 2.636 -13.426 -2.098 1.00 61.42 H new ATOM 0 HA PHE A 41 0.159 -12.319 -3.333 1.00 4.43 H new ATOM 0 HB2 PHE A 41 3.085 -11.483 -3.673 1.00 51.24 H new ATOM 0 HB3 PHE A 41 1.679 -10.632 -4.282 1.00 51.24 H new ATOM 0 HD1 PHE A 41 0.110 -9.481 -2.616 1.00 51.33 H new ATOM 0 HD2 PHE A 41 3.857 -11.137 -1.391 1.00 42.51 H new ATOM 0 HE1 PHE A 41 0.028 -8.165 -0.544 1.00 53.41 H new ATOM 0 HE2 PHE A 41 3.762 -9.819 0.676 1.00 3.41 H new ATOM 0 HZ PHE A 41 1.850 -8.329 1.103 1.00 5.35 H new ATOM 687 N SER A 42 0.790 -14.624 -4.725 1.00 34.34 N ATOM 688 CA SER A 42 0.892 -15.556 -5.894 1.00 12.33 C ATOM 689 C SER A 42 0.249 -14.953 -7.160 1.00 4.53 C ATOM 690 O SER A 42 0.868 -14.922 -8.228 1.00 33.32 O ATOM 691 CB SER A 42 0.242 -16.931 -5.575 1.00 23.54 C ATOM 692 OG SER A 42 0.910 -17.587 -4.501 1.00 62.13 O ATOM 0 H SER A 42 0.216 -14.982 -3.962 1.00 34.34 H new ATOM 0 HA SER A 42 1.954 -15.707 -6.088 1.00 12.33 H new ATOM 0 HB2 SER A 42 -0.808 -16.788 -5.319 1.00 23.54 H new ATOM 0 HB3 SER A 42 0.270 -17.563 -6.463 1.00 23.54 H new ATOM 0 HG SER A 42 1.822 -17.237 -4.421 1.00 62.13 H new ATOM 698 N GLY A 43 -0.992 -14.468 -7.011 1.00 74.53 N ATOM 699 CA GLY A 43 -1.682 -13.752 -8.088 1.00 34.54 C ATOM 700 C GLY A 43 -1.094 -12.361 -8.370 1.00 34.11 C ATOM 701 O GLY A 43 -0.957 -11.963 -9.525 1.00 62.12 O ATOM 0 H GLY A 43 -1.537 -14.560 -6.154 1.00 74.53 H new ATOM 0 HA2 GLY A 43 -1.636 -14.349 -8.999 1.00 34.54 H new ATOM 0 HA3 GLY A 43 -2.735 -13.647 -7.828 1.00 34.54 H new ATOM 705 N TRP A 44 -0.708 -11.653 -7.296 1.00 31.40 N ATOM 706 CA TRP A 44 -0.336 -10.214 -7.335 1.00 41.41 C ATOM 707 C TRP A 44 1.012 -9.958 -8.063 1.00 54.21 C ATOM 708 O TRP A 44 1.122 -9.006 -8.854 1.00 72.11 O ATOM 709 CB TRP A 44 -0.321 -9.663 -5.875 1.00 60.52 C ATOM 710 CG TRP A 44 -0.812 -8.238 -5.691 1.00 12.12 C ATOM 711 CD1 TRP A 44 -0.292 -7.308 -4.835 1.00 54.22 C ATOM 712 CD2 TRP A 44 -1.937 -7.594 -6.341 1.00 11.22 C ATOM 713 NE1 TRP A 44 -1.002 -6.145 -4.912 1.00 22.14 N ATOM 714 CE2 TRP A 44 -2.013 -6.293 -5.825 1.00 54.21 C ATOM 715 CE3 TRP A 44 -2.885 -7.984 -7.306 1.00 21.13 C ATOM 716 CZ2 TRP A 44 -2.982 -5.384 -6.235 1.00 1.03 C ATOM 717 CZ3 TRP A 44 -3.844 -7.077 -7.711 1.00 62.20 C ATOM 718 CH2 TRP A 44 -3.887 -5.789 -7.174 1.00 42.33 C ATOM 0 H TRP A 44 -0.642 -12.060 -6.363 1.00 31.40 H new ATOM 0 HA TRP A 44 -1.082 -9.679 -7.922 1.00 41.41 H new ATOM 0 HB2 TRP A 44 -0.932 -10.319 -5.255 1.00 60.52 H new ATOM 0 HB3 TRP A 44 0.699 -9.726 -5.496 1.00 60.52 H new ATOM 0 HD1 TRP A 44 0.559 -7.470 -4.190 1.00 54.22 H new ATOM 0 HE1 TRP A 44 -0.810 -5.299 -4.375 1.00 22.14 H new ATOM 0 HE3 TRP A 44 -2.862 -8.980 -7.724 1.00 21.13 H new ATOM 0 HZ2 TRP A 44 -3.018 -4.386 -5.823 1.00 1.03 H new ATOM 0 HZ3 TRP A 44 -4.572 -7.368 -8.454 1.00 62.20 H new ATOM 0 HH2 TRP A 44 -4.650 -5.101 -7.507 1.00 42.33 H new ATOM 729 N GLU A 45 2.023 -10.822 -7.796 1.00 73.41 N ATOM 730 CA GLU A 45 3.332 -10.783 -8.511 1.00 22.01 C ATOM 731 C GLU A 45 3.134 -11.050 -10.026 1.00 42.32 C ATOM 732 O GLU A 45 3.756 -10.397 -10.871 1.00 51.33 O ATOM 733 CB GLU A 45 4.330 -11.830 -7.917 1.00 30.43 C ATOM 734 CG GLU A 45 5.727 -11.860 -8.604 1.00 4.30 C ATOM 735 CD GLU A 45 6.641 -13.019 -8.146 1.00 41.01 C ATOM 736 OE1 GLU A 45 6.417 -14.174 -8.589 1.00 2.12 O ATOM 737 OE2 GLU A 45 7.586 -12.791 -7.353 1.00 24.44 O ATOM 0 H GLU A 45 1.961 -11.556 -7.091 1.00 73.41 H new ATOM 0 HA GLU A 45 3.753 -9.787 -8.376 1.00 22.01 H new ATOM 0 HB2 GLU A 45 4.466 -11.620 -6.856 1.00 30.43 H new ATOM 0 HB3 GLU A 45 3.882 -12.821 -7.991 1.00 30.43 H new ATOM 0 HG2 GLU A 45 5.586 -11.930 -9.683 1.00 4.30 H new ATOM 0 HG3 GLU A 45 6.234 -10.915 -8.409 1.00 4.30 H new ATOM 744 N SER A 46 2.227 -12.000 -10.336 1.00 2.42 N ATOM 745 CA SER A 46 1.890 -12.399 -11.724 1.00 63.21 C ATOM 746 C SER A 46 1.273 -11.230 -12.526 1.00 32.05 C ATOM 747 O SER A 46 1.695 -10.961 -13.650 1.00 63.32 O ATOM 748 CB SER A 46 0.903 -13.590 -11.716 1.00 4.34 C ATOM 749 OG SER A 46 1.411 -14.686 -10.972 1.00 40.55 O ATOM 0 H SER A 46 1.704 -12.516 -9.629 1.00 2.42 H new ATOM 0 HA SER A 46 2.821 -12.692 -12.209 1.00 63.21 H new ATOM 0 HB2 SER A 46 -0.049 -13.271 -11.291 1.00 4.34 H new ATOM 0 HB3 SER A 46 0.705 -13.906 -12.740 1.00 4.34 H new ATOM 0 HG SER A 46 1.114 -14.615 -10.041 1.00 40.55 H new ATOM 755 N LYS A 47 0.287 -10.536 -11.917 1.00 14.41 N ATOM 756 CA LYS A 47 -0.441 -9.420 -12.571 1.00 52.24 C ATOM 757 C LYS A 47 0.511 -8.279 -12.997 1.00 22.10 C ATOM 758 O LYS A 47 0.402 -7.750 -14.115 1.00 32.41 O ATOM 759 CB LYS A 47 -1.555 -8.856 -11.634 1.00 61.10 C ATOM 760 CG LYS A 47 -2.661 -9.864 -11.246 1.00 51.40 C ATOM 761 CD LYS A 47 -3.350 -10.511 -12.471 1.00 55.54 C ATOM 762 CE LYS A 47 -4.168 -9.522 -13.318 1.00 72.24 C ATOM 763 NZ LYS A 47 -5.397 -9.063 -12.624 1.00 32.51 N ATOM 0 H LYS A 47 -0.027 -10.729 -10.966 1.00 14.41 H new ATOM 0 HA LYS A 47 -0.902 -9.828 -13.470 1.00 52.24 H new ATOM 0 HB2 LYS A 47 -1.087 -8.485 -10.722 1.00 61.10 H new ATOM 0 HB3 LYS A 47 -2.021 -8.001 -12.124 1.00 61.10 H new ATOM 0 HG2 LYS A 47 -2.228 -10.648 -10.624 1.00 51.40 H new ATOM 0 HG3 LYS A 47 -3.412 -9.355 -10.641 1.00 51.40 H new ATOM 0 HD2 LYS A 47 -2.590 -10.973 -13.101 1.00 55.54 H new ATOM 0 HD3 LYS A 47 -4.007 -11.310 -12.127 1.00 55.54 H new ATOM 0 HE2 LYS A 47 -3.549 -8.659 -13.563 1.00 72.24 H new ATOM 0 HE3 LYS A 47 -4.442 -9.996 -14.261 1.00 72.24 H new ATOM 0 HZ1 LYS A 47 -5.913 -8.399 -13.235 1.00 32.51 H new ATOM 0 HZ2 LYS A 47 -6.003 -9.882 -12.413 1.00 32.51 H new ATOM 0 HZ3 LYS A 47 -5.137 -8.587 -11.737 1.00 32.51 H new ATOM 777 N LEU A 48 1.435 -7.904 -12.093 1.00 4.00 N ATOM 778 CA LEU A 48 2.427 -6.841 -12.363 1.00 52.44 C ATOM 779 C LEU A 48 3.532 -7.334 -13.336 1.00 34.34 C ATOM 780 O LEU A 48 4.056 -6.550 -14.138 1.00 71.23 O ATOM 781 CB LEU A 48 3.042 -6.317 -11.034 1.00 60.12 C ATOM 782 CG LEU A 48 3.775 -4.939 -11.140 1.00 44.34 C ATOM 783 CD1 LEU A 48 2.792 -3.790 -11.464 1.00 31.41 C ATOM 784 CD2 LEU A 48 4.601 -4.626 -9.880 1.00 42.05 C ATOM 0 H LEU A 48 1.517 -8.322 -11.166 1.00 4.00 H new ATOM 0 HA LEU A 48 1.911 -6.013 -12.849 1.00 52.44 H new ATOM 0 HB2 LEU A 48 2.247 -6.232 -10.293 1.00 60.12 H new ATOM 0 HB3 LEU A 48 3.748 -7.059 -10.661 1.00 60.12 H new ATOM 0 HG LEU A 48 4.473 -5.020 -11.973 1.00 44.34 H new ATOM 0 HD11 LEU A 48 3.340 -2.850 -11.529 1.00 31.41 H new ATOM 0 HD12 LEU A 48 2.300 -3.990 -12.416 1.00 31.41 H new ATOM 0 HD13 LEU A 48 2.043 -3.719 -10.676 1.00 31.41 H new ATOM 0 HD21 LEU A 48 5.092 -3.660 -9.998 1.00 42.05 H new ATOM 0 HD22 LEU A 48 3.943 -4.595 -9.012 1.00 42.05 H new ATOM 0 HD23 LEU A 48 5.354 -5.401 -9.737 1.00 42.05 H new ATOM 796 N GLY A 49 3.878 -8.640 -13.248 1.00 44.22 N ATOM 797 CA GLY A 49 4.830 -9.285 -14.175 1.00 73.21 C ATOM 798 C GLY A 49 4.326 -9.371 -15.624 1.00 32.13 C ATOM 799 O GLY A 49 5.123 -9.416 -16.566 1.00 33.24 O ATOM 0 H GLY A 49 3.507 -9.270 -12.537 1.00 44.22 H new ATOM 0 HA2 GLY A 49 5.769 -8.732 -14.159 1.00 73.21 H new ATOM 0 HA3 GLY A 49 5.047 -10.291 -13.816 1.00 73.21 H new ATOM 803 N ASN A 50 2.992 -9.399 -15.788 1.00 10.20 N ATOM 804 CA ASN A 50 2.329 -9.399 -17.115 1.00 41.35 C ATOM 805 C ASN A 50 1.997 -7.954 -17.570 1.00 25.40 C ATOM 806 O ASN A 50 1.736 -7.712 -18.751 1.00 4.34 O ATOM 807 CB ASN A 50 1.039 -10.255 -17.065 1.00 0.33 C ATOM 808 CG ASN A 50 1.282 -11.721 -16.694 1.00 40.12 C ATOM 809 OD1 ASN A 50 2.326 -12.293 -16.993 1.00 43.32 O ATOM 810 ND2 ASN A 50 0.315 -12.341 -16.044 1.00 54.33 N ATOM 0 H ASN A 50 2.337 -9.422 -15.006 1.00 10.20 H new ATOM 0 HA ASN A 50 3.016 -9.833 -17.841 1.00 41.35 H new ATOM 0 HB2 ASN A 50 0.351 -9.816 -16.342 1.00 0.33 H new ATOM 0 HB3 ASN A 50 0.549 -10.213 -18.038 1.00 0.33 H new ATOM 0 HD21 ASN A 50 0.425 -13.319 -15.778 1.00 54.33 H new ATOM 0 HD22 ASN A 50 -0.543 -11.842 -15.808 1.00 54.33 H new ATOM 817 N GLY A 51 2.004 -7.014 -16.600 1.00 61.24 N ATOM 818 CA GLY A 51 1.737 -5.590 -16.861 1.00 21.54 C ATOM 819 C GLY A 51 0.256 -5.266 -17.093 1.00 1.41 C ATOM 820 O GLY A 51 -0.072 -4.306 -17.797 1.00 72.44 O ATOM 0 H GLY A 51 2.194 -7.223 -15.620 1.00 61.24 H new ATOM 0 HA2 GLY A 51 2.099 -5.002 -16.017 1.00 21.54 H new ATOM 0 HA3 GLY A 51 2.308 -5.278 -17.735 1.00 21.54 H new ATOM 824 N GLU A 52 -0.633 -6.071 -16.485 1.00 54.15 N ATOM 825 CA GLU A 52 -2.109 -5.931 -16.630 1.00 51.42 C ATOM 826 C GLU A 52 -2.682 -4.755 -15.797 1.00 71.51 C ATOM 827 O GLU A 52 -3.743 -4.212 -16.112 1.00 60.13 O ATOM 828 CB GLU A 52 -2.778 -7.265 -16.228 1.00 10.20 C ATOM 829 CG GLU A 52 -2.444 -8.436 -17.175 1.00 50.11 C ATOM 830 CD GLU A 52 -3.063 -9.770 -16.734 1.00 60.15 C ATOM 831 OE1 GLU A 52 -4.305 -9.905 -16.797 1.00 74.14 O ATOM 832 OE2 GLU A 52 -2.313 -10.684 -16.325 1.00 13.12 O ATOM 0 H GLU A 52 -0.357 -6.841 -15.876 1.00 54.15 H new ATOM 0 HA GLU A 52 -2.329 -5.699 -17.672 1.00 51.42 H new ATOM 0 HB2 GLU A 52 -2.467 -7.527 -15.217 1.00 10.20 H new ATOM 0 HB3 GLU A 52 -3.859 -7.126 -16.203 1.00 10.20 H new ATOM 0 HG2 GLU A 52 -2.796 -8.194 -18.178 1.00 50.11 H new ATOM 0 HG3 GLU A 52 -1.361 -8.548 -17.235 1.00 50.11 H new ATOM 839 N ILE A 53 -1.965 -4.397 -14.727 1.00 44.31 N ATOM 840 CA ILE A 53 -2.262 -3.199 -13.897 1.00 35.40 C ATOM 841 C ILE A 53 -1.025 -2.278 -13.877 1.00 15.55 C ATOM 842 O ILE A 53 0.058 -2.674 -14.344 1.00 13.35 O ATOM 843 CB ILE A 53 -2.737 -3.549 -12.410 1.00 4.52 C ATOM 844 CG1 ILE A 53 -1.562 -3.944 -11.446 1.00 74.33 C ATOM 845 CG2 ILE A 53 -3.830 -4.651 -12.410 1.00 15.13 C ATOM 846 CD1 ILE A 53 -0.863 -5.245 -11.753 1.00 60.12 C ATOM 0 H ILE A 53 -1.156 -4.925 -14.401 1.00 44.31 H new ATOM 0 HA ILE A 53 -3.107 -2.687 -14.358 1.00 35.40 H new ATOM 0 HB ILE A 53 -3.161 -2.625 -12.017 1.00 4.52 H new ATOM 0 HG12 ILE A 53 -0.822 -3.144 -11.461 1.00 74.33 H new ATOM 0 HG13 ILE A 53 -1.954 -3.996 -10.430 1.00 74.33 H new ATOM 0 HG21 ILE A 53 -4.131 -4.865 -11.384 1.00 15.13 H new ATOM 0 HG22 ILE A 53 -4.695 -4.306 -12.977 1.00 15.13 H new ATOM 0 HG23 ILE A 53 -3.433 -5.557 -12.869 1.00 15.13 H new ATOM 0 HD11 ILE A 53 -0.071 -5.414 -11.023 1.00 60.12 H new ATOM 0 HD12 ILE A 53 -1.581 -6.064 -11.705 1.00 60.12 H new ATOM 0 HD13 ILE A 53 -0.431 -5.199 -12.753 1.00 60.12 H new ATOM 858 N THR A 54 -1.174 -1.059 -13.328 1.00 41.05 N ATOM 859 CA THR A 54 -0.035 -0.143 -13.108 1.00 32.31 C ATOM 860 C THR A 54 0.553 -0.414 -11.715 1.00 15.50 C ATOM 861 O THR A 54 -0.049 -1.148 -10.909 1.00 42.12 O ATOM 862 CB THR A 54 -0.462 1.369 -13.201 1.00 62.41 C ATOM 863 OG1 THR A 54 -1.532 1.655 -12.283 1.00 10.41 O ATOM 864 CG2 THR A 54 -0.893 1.764 -14.624 1.00 13.20 C ATOM 0 H THR A 54 -2.073 -0.683 -13.027 1.00 41.05 H new ATOM 0 HA THR A 54 0.702 -0.327 -13.890 1.00 32.31 H new ATOM 0 HB THR A 54 0.416 1.958 -12.935 1.00 62.41 H new ATOM 0 HG1 THR A 54 -1.781 2.600 -12.355 1.00 10.41 H new ATOM 0 HG21 THR A 54 -1.179 2.816 -14.639 1.00 13.20 H new ATOM 0 HG22 THR A 54 -0.064 1.603 -15.313 1.00 13.20 H new ATOM 0 HG23 THR A 54 -1.742 1.153 -14.930 1.00 13.20 H new ATOM 872 N VAL A 55 1.719 0.184 -11.419 1.00 52.01 N ATOM 873 CA VAL A 55 2.335 0.070 -10.084 1.00 34.13 C ATOM 874 C VAL A 55 1.380 0.631 -8.992 1.00 22.21 C ATOM 875 O VAL A 55 1.311 0.079 -7.909 1.00 51.13 O ATOM 876 CB VAL A 55 3.746 0.763 -10.023 1.00 31.44 C ATOM 877 CG1 VAL A 55 4.402 0.608 -8.626 1.00 15.12 C ATOM 878 CG2 VAL A 55 4.683 0.208 -11.130 1.00 3.24 C ATOM 0 H VAL A 55 2.252 0.748 -12.081 1.00 52.01 H new ATOM 0 HA VAL A 55 2.498 -0.989 -9.886 1.00 34.13 H new ATOM 0 HB VAL A 55 3.593 1.828 -10.200 1.00 31.44 H new ATOM 0 HG11 VAL A 55 5.375 1.100 -8.624 1.00 15.12 H new ATOM 0 HG12 VAL A 55 3.763 1.066 -7.871 1.00 15.12 H new ATOM 0 HG13 VAL A 55 4.530 -0.451 -8.400 1.00 15.12 H new ATOM 0 HG21 VAL A 55 5.652 0.702 -11.068 1.00 3.24 H new ATOM 0 HG22 VAL A 55 4.813 -0.865 -10.992 1.00 3.24 H new ATOM 0 HG23 VAL A 55 4.242 0.397 -12.109 1.00 3.24 H new ATOM 888 N LYS A 56 0.595 1.677 -9.347 1.00 1.20 N ATOM 889 CA LYS A 56 -0.491 2.260 -8.501 1.00 72.22 C ATOM 890 C LYS A 56 -1.403 1.190 -7.836 1.00 53.45 C ATOM 891 O LYS A 56 -1.535 1.146 -6.607 1.00 45.15 O ATOM 892 CB LYS A 56 -1.373 3.156 -9.405 1.00 63.12 C ATOM 893 CG LYS A 56 -2.571 3.861 -8.716 1.00 51.23 C ATOM 894 CD LYS A 56 -3.560 4.457 -9.746 1.00 64.43 C ATOM 895 CE LYS A 56 -4.679 5.295 -9.120 1.00 40.31 C ATOM 896 NZ LYS A 56 -5.603 5.811 -10.166 1.00 61.12 N ATOM 0 H LYS A 56 0.695 2.152 -10.244 1.00 1.20 H new ATOM 0 HA LYS A 56 -0.012 2.817 -7.696 1.00 72.22 H new ATOM 0 HB2 LYS A 56 -0.738 3.920 -9.853 1.00 63.12 H new ATOM 0 HB3 LYS A 56 -1.759 2.544 -10.220 1.00 63.12 H new ATOM 0 HG2 LYS A 56 -3.095 3.148 -8.080 1.00 51.23 H new ATOM 0 HG3 LYS A 56 -2.201 4.655 -8.067 1.00 51.23 H new ATOM 0 HD2 LYS A 56 -3.006 5.077 -10.450 1.00 64.43 H new ATOM 0 HD3 LYS A 56 -4.006 3.644 -10.319 1.00 64.43 H new ATOM 0 HE2 LYS A 56 -5.235 4.690 -8.404 1.00 40.31 H new ATOM 0 HE3 LYS A 56 -4.248 6.129 -8.566 1.00 40.31 H new ATOM 0 HZ1 LYS A 56 -6.226 6.534 -9.753 1.00 61.12 H new ATOM 0 HZ2 LYS A 56 -5.051 6.232 -10.940 1.00 61.12 H new ATOM 0 HZ3 LYS A 56 -6.179 5.028 -10.537 1.00 61.12 H new ATOM 910 N GLU A 57 -2.010 0.324 -8.675 1.00 21.30 N ATOM 911 CA GLU A 57 -2.992 -0.690 -8.226 1.00 30.32 C ATOM 912 C GLU A 57 -2.319 -1.787 -7.384 1.00 52.33 C ATOM 913 O GLU A 57 -2.882 -2.237 -6.379 1.00 0.42 O ATOM 914 CB GLU A 57 -3.701 -1.310 -9.461 1.00 35.11 C ATOM 915 CG GLU A 57 -4.405 -0.287 -10.379 1.00 14.44 C ATOM 916 CD GLU A 57 -5.543 0.483 -9.680 1.00 2.14 C ATOM 917 OE1 GLU A 57 -6.664 -0.060 -9.578 1.00 61.14 O ATOM 918 OE2 GLU A 57 -5.322 1.621 -9.216 1.00 62.31 O ATOM 0 H GLU A 57 -1.835 0.307 -9.680 1.00 21.30 H new ATOM 0 HA GLU A 57 -3.731 -0.199 -7.594 1.00 30.32 H new ATOM 0 HB2 GLU A 57 -2.965 -1.859 -10.048 1.00 35.11 H new ATOM 0 HB3 GLU A 57 -4.438 -2.035 -9.115 1.00 35.11 H new ATOM 0 HG2 GLU A 57 -3.668 0.426 -10.748 1.00 14.44 H new ATOM 0 HG3 GLU A 57 -4.809 -0.807 -11.248 1.00 14.44 H new ATOM 925 N PHE A 58 -1.112 -2.205 -7.822 1.00 1.43 N ATOM 926 CA PHE A 58 -0.257 -3.154 -7.079 1.00 54.24 C ATOM 927 C PHE A 58 -0.023 -2.663 -5.623 1.00 1.32 C ATOM 928 O PHE A 58 -0.282 -3.388 -4.662 1.00 73.43 O ATOM 929 CB PHE A 58 1.090 -3.334 -7.826 1.00 44.35 C ATOM 930 CG PHE A 58 2.037 -4.353 -7.188 1.00 52.43 C ATOM 931 CD1 PHE A 58 1.833 -5.723 -7.369 1.00 21.22 C ATOM 932 CD2 PHE A 58 3.130 -3.947 -6.411 1.00 44.21 C ATOM 933 CE1 PHE A 58 2.684 -6.647 -6.797 1.00 44.13 C ATOM 934 CE2 PHE A 58 3.979 -4.877 -5.841 1.00 65.34 C ATOM 935 CZ PHE A 58 3.754 -6.225 -6.036 1.00 30.32 C ATOM 0 H PHE A 58 -0.703 -1.893 -8.703 1.00 1.43 H new ATOM 0 HA PHE A 58 -0.762 -4.119 -7.024 1.00 54.24 H new ATOM 0 HB2 PHE A 58 0.884 -3.640 -8.852 1.00 44.35 H new ATOM 0 HB3 PHE A 58 1.595 -2.369 -7.877 1.00 44.35 H new ATOM 0 HD1 PHE A 58 0.999 -6.064 -7.964 1.00 21.22 H new ATOM 0 HD2 PHE A 58 3.311 -2.894 -6.255 1.00 44.21 H new ATOM 0 HE1 PHE A 58 2.512 -7.703 -6.946 1.00 44.13 H new ATOM 0 HE2 PHE A 58 4.817 -4.550 -5.244 1.00 65.34 H new ATOM 0 HZ PHE A 58 4.418 -6.951 -5.591 1.00 30.32 H new ATOM 945 N ILE A 59 0.420 -1.400 -5.509 1.00 51.10 N ATOM 946 CA ILE A 59 0.677 -0.711 -4.224 1.00 55.03 C ATOM 947 C ILE A 59 -0.586 -0.670 -3.333 1.00 4.33 C ATOM 948 O ILE A 59 -0.506 -0.928 -2.127 1.00 22.11 O ATOM 949 CB ILE A 59 1.219 0.751 -4.497 1.00 12.22 C ATOM 950 CG1 ILE A 59 2.613 0.693 -5.211 1.00 52.11 C ATOM 951 CG2 ILE A 59 1.267 1.630 -3.220 1.00 0.14 C ATOM 952 CD1 ILE A 59 3.701 -0.069 -4.477 1.00 70.40 C ATOM 0 H ILE A 59 0.615 -0.814 -6.321 1.00 51.10 H new ATOM 0 HA ILE A 59 1.434 -1.277 -3.682 1.00 55.03 H new ATOM 0 HB ILE A 59 0.506 1.237 -5.163 1.00 12.22 H new ATOM 0 HG12 ILE A 59 2.478 0.240 -6.193 1.00 52.11 H new ATOM 0 HG13 ILE A 59 2.958 1.714 -5.375 1.00 52.11 H new ATOM 0 HG21 ILE A 59 1.647 2.620 -3.474 1.00 0.14 H new ATOM 0 HG22 ILE A 59 0.264 1.722 -2.804 1.00 0.14 H new ATOM 0 HG23 ILE A 59 1.924 1.167 -2.484 1.00 0.14 H new ATOM 0 HD11 ILE A 59 4.620 -0.044 -5.062 1.00 70.40 H new ATOM 0 HD12 ILE A 59 3.876 0.393 -3.505 1.00 70.40 H new ATOM 0 HD13 ILE A 59 3.389 -1.104 -4.336 1.00 70.40 H new ATOM 964 N GLU A 60 -1.739 -0.361 -3.947 1.00 35.13 N ATOM 965 CA GLU A 60 -3.030 -0.309 -3.240 1.00 41.44 C ATOM 966 C GLU A 60 -3.382 -1.670 -2.581 1.00 44.20 C ATOM 967 O GLU A 60 -3.735 -1.716 -1.398 1.00 12.42 O ATOM 968 CB GLU A 60 -4.150 0.150 -4.204 1.00 63.43 C ATOM 969 CG GLU A 60 -5.466 0.528 -3.500 1.00 65.23 C ATOM 970 CD GLU A 60 -6.539 1.042 -4.466 1.00 2.54 C ATOM 971 OE1 GLU A 60 -6.541 2.249 -4.788 1.00 4.44 O ATOM 972 OE2 GLU A 60 -7.396 0.241 -4.894 1.00 62.22 O ATOM 0 H GLU A 60 -1.804 -0.141 -4.941 1.00 35.13 H new ATOM 0 HA GLU A 60 -2.942 0.421 -2.435 1.00 41.44 H new ATOM 0 HB2 GLU A 60 -3.795 1.009 -4.774 1.00 63.43 H new ATOM 0 HB3 GLU A 60 -4.349 -0.648 -4.920 1.00 63.43 H new ATOM 0 HG2 GLU A 60 -5.851 -0.343 -2.970 1.00 65.23 H new ATOM 0 HG3 GLU A 60 -5.263 1.293 -2.751 1.00 65.23 H new ATOM 979 N GLY A 61 -3.253 -2.776 -3.347 1.00 5.20 N ATOM 980 CA GLY A 61 -3.476 -4.134 -2.814 1.00 60.20 C ATOM 981 C GLY A 61 -2.470 -4.580 -1.735 1.00 62.10 C ATOM 982 O GLY A 61 -2.743 -5.525 -0.986 1.00 14.33 O ATOM 0 H GLY A 61 -2.996 -2.753 -4.334 1.00 5.20 H new ATOM 0 HA2 GLY A 61 -4.481 -4.184 -2.396 1.00 60.20 H new ATOM 0 HA3 GLY A 61 -3.439 -4.844 -3.640 1.00 60.20 H new ATOM 986 N LEU A 62 -1.297 -3.907 -1.655 1.00 54.31 N ATOM 987 CA LEU A 62 -0.313 -4.135 -0.555 1.00 11.01 C ATOM 988 C LEU A 62 -0.841 -3.579 0.789 1.00 54.33 C ATOM 989 O LEU A 62 -0.516 -4.087 1.861 1.00 23.11 O ATOM 990 CB LEU A 62 1.056 -3.495 -0.902 1.00 2.22 C ATOM 991 CG LEU A 62 1.712 -3.967 -2.239 1.00 53.11 C ATOM 992 CD1 LEU A 62 3.124 -3.378 -2.423 1.00 24.33 C ATOM 993 CD2 LEU A 62 1.716 -5.506 -2.371 1.00 40.33 C ATOM 0 H LEU A 62 -1.005 -3.204 -2.333 1.00 54.31 H new ATOM 0 HA LEU A 62 -0.177 -5.211 -0.448 1.00 11.01 H new ATOM 0 HB2 LEU A 62 0.929 -2.413 -0.945 1.00 2.22 H new ATOM 0 HB3 LEU A 62 1.749 -3.703 -0.087 1.00 2.22 H new ATOM 0 HG LEU A 62 1.092 -3.579 -3.048 1.00 53.11 H new ATOM 0 HD11 LEU A 62 3.545 -3.730 -3.364 1.00 24.33 H new ATOM 0 HD12 LEU A 62 3.065 -2.290 -2.437 1.00 24.33 H new ATOM 0 HD13 LEU A 62 3.761 -3.697 -1.598 1.00 24.33 H new ATOM 0 HD21 LEU A 62 2.181 -5.789 -3.315 1.00 40.33 H new ATOM 0 HD22 LEU A 62 2.278 -5.941 -1.545 1.00 40.33 H new ATOM 0 HD23 LEU A 62 0.691 -5.876 -2.346 1.00 40.33 H new ATOM 1005 N GLY A 63 -1.647 -2.512 0.691 1.00 64.32 N ATOM 1006 CA GLY A 63 -2.390 -1.965 1.840 1.00 32.21 C ATOM 1007 C GLY A 63 -3.586 -2.819 2.277 1.00 72.33 C ATOM 1008 O GLY A 63 -4.193 -2.557 3.317 1.00 3.33 O ATOM 0 H GLY A 63 -1.803 -2.005 -0.180 1.00 64.32 H new ATOM 0 HA2 GLY A 63 -1.707 -1.858 2.683 1.00 32.21 H new ATOM 0 HA3 GLY A 63 -2.744 -0.966 1.587 1.00 32.21 H new ATOM 1012 N TYR A 64 -3.950 -3.822 1.447 1.00 51.54 N ATOM 1013 CA TYR A 64 -5.045 -4.783 1.746 1.00 14.00 C ATOM 1014 C TYR A 64 -4.484 -6.088 2.383 1.00 75.24 C ATOM 1015 O TYR A 64 -5.257 -6.937 2.846 1.00 22.42 O ATOM 1016 CB TYR A 64 -5.834 -5.138 0.443 1.00 3.12 C ATOM 1017 CG TYR A 64 -6.556 -3.981 -0.297 1.00 33.02 C ATOM 1018 CD1 TYR A 64 -6.360 -2.629 0.021 1.00 42.12 C ATOM 1019 CD2 TYR A 64 -7.448 -4.264 -1.340 1.00 45.32 C ATOM 1020 CE1 TYR A 64 -7.018 -1.623 -0.662 1.00 5.14 C ATOM 1021 CE2 TYR A 64 -8.104 -3.256 -2.020 1.00 50.33 C ATOM 1022 CZ TYR A 64 -7.886 -1.941 -1.678 1.00 73.23 C ATOM 1023 OH TYR A 64 -8.542 -0.938 -2.358 1.00 21.34 O ATOM 0 H TYR A 64 -3.495 -3.991 0.550 1.00 51.54 H new ATOM 0 HA TYR A 64 -5.719 -4.306 2.457 1.00 14.00 H new ATOM 0 HB2 TYR A 64 -5.137 -5.601 -0.256 1.00 3.12 H new ATOM 0 HB3 TYR A 64 -6.579 -5.892 0.696 1.00 3.12 H new ATOM 0 HD1 TYR A 64 -5.679 -2.368 0.818 1.00 42.12 H new ATOM 0 HD2 TYR A 64 -7.627 -5.292 -1.618 1.00 45.32 H new ATOM 0 HE1 TYR A 64 -6.850 -0.590 -0.397 1.00 5.14 H new ATOM 0 HE2 TYR A 64 -8.788 -3.500 -2.820 1.00 50.33 H new ATOM 0 HH TYR A 64 -8.022 -0.685 -3.149 1.00 21.34 H new ATOM 1033 N SER A 65 -3.140 -6.228 2.418 1.00 13.43 N ATOM 1034 CA SER A 65 -2.467 -7.483 2.851 1.00 62.30 C ATOM 1035 C SER A 65 -2.331 -7.544 4.385 1.00 1.03 C ATOM 1036 O SER A 65 -1.943 -6.558 5.016 1.00 52.11 O ATOM 1037 CB SER A 65 -1.062 -7.607 2.214 1.00 13.34 C ATOM 1038 OG SER A 65 -0.129 -6.707 2.797 1.00 24.45 O ATOM 0 H SER A 65 -2.493 -5.486 2.151 1.00 13.43 H new ATOM 0 HA SER A 65 -3.090 -8.312 2.516 1.00 62.30 H new ATOM 0 HB2 SER A 65 -0.701 -8.629 2.330 1.00 13.34 H new ATOM 0 HB3 SER A 65 -1.131 -7.413 1.144 1.00 13.34 H new ATOM 0 HG SER A 65 -0.297 -5.801 2.464 1.00 24.45 H new ATOM 1044 N ASN A 66 -2.603 -8.727 4.969 1.00 64.31 N ATOM 1045 CA ASN A 66 -2.512 -8.945 6.432 1.00 40.22 C ATOM 1046 C ASN A 66 -1.059 -8.736 6.953 1.00 61.15 C ATOM 1047 O ASN A 66 -0.864 -8.435 8.129 1.00 50.50 O ATOM 1048 CB ASN A 66 -3.029 -10.362 6.785 1.00 54.31 C ATOM 1049 CG ASN A 66 -3.183 -10.610 8.294 1.00 5.24 C ATOM 1050 OD1 ASN A 66 -4.241 -10.379 8.869 1.00 5.43 O ATOM 1051 ND2 ASN A 66 -2.129 -11.057 8.948 1.00 72.11 N ATOM 0 H ASN A 66 -2.890 -9.555 4.447 1.00 64.31 H new ATOM 0 HA ASN A 66 -3.140 -8.205 6.928 1.00 40.22 H new ATOM 0 HB2 ASN A 66 -3.993 -10.518 6.301 1.00 54.31 H new ATOM 0 HB3 ASN A 66 -2.342 -11.102 6.373 1.00 54.31 H new ATOM 0 HD21 ASN A 66 -2.183 -11.218 9.954 1.00 72.11 H new ATOM 0 HD22 ASN A 66 -1.259 -11.242 8.448 1.00 72.11 H new ATOM 1058 N LEU A 67 -0.059 -8.887 6.057 1.00 43.31 N ATOM 1059 CA LEU A 67 1.374 -8.685 6.384 1.00 22.04 C ATOM 1060 C LEU A 67 1.686 -7.192 6.696 1.00 75.22 C ATOM 1061 O LEU A 67 2.501 -6.896 7.580 1.00 52.23 O ATOM 1062 CB LEU A 67 2.263 -9.214 5.225 1.00 1.43 C ATOM 1063 CG LEU A 67 3.812 -9.191 5.465 1.00 5.42 C ATOM 1064 CD1 LEU A 67 4.220 -10.059 6.677 1.00 71.14 C ATOM 1065 CD2 LEU A 67 4.578 -9.619 4.192 1.00 4.11 C ATOM 0 H LEU A 67 -0.220 -9.153 5.085 1.00 43.31 H new ATOM 0 HA LEU A 67 1.602 -9.253 7.286 1.00 22.04 H new ATOM 0 HB2 LEU A 67 1.966 -10.240 5.009 1.00 1.43 H new ATOM 0 HB3 LEU A 67 2.047 -8.625 4.333 1.00 1.43 H new ATOM 0 HG LEU A 67 4.088 -8.162 5.697 1.00 5.42 H new ATOM 0 HD11 LEU A 67 5.301 -10.015 6.808 1.00 71.14 H new ATOM 0 HD12 LEU A 67 3.730 -9.683 7.575 1.00 71.14 H new ATOM 0 HD13 LEU A 67 3.917 -11.092 6.504 1.00 71.14 H new ATOM 0 HD21 LEU A 67 5.650 -9.594 4.387 1.00 4.11 H new ATOM 0 HD22 LEU A 67 4.283 -10.631 3.913 1.00 4.11 H new ATOM 0 HD23 LEU A 67 4.341 -8.934 3.377 1.00 4.11 H new ATOM 1077 N TYR A 68 1.047 -6.258 5.954 1.00 52.35 N ATOM 1078 CA TYR A 68 1.125 -4.807 6.272 1.00 74.42 C ATOM 1079 C TYR A 68 0.262 -4.471 7.514 1.00 21.31 C ATOM 1080 O TYR A 68 0.700 -3.741 8.411 1.00 13.52 O ATOM 1081 CB TYR A 68 0.679 -3.933 5.064 1.00 70.31 C ATOM 1082 CG TYR A 68 0.804 -2.416 5.323 1.00 31.43 C ATOM 1083 CD1 TYR A 68 2.061 -1.807 5.391 1.00 31.31 C ATOM 1084 CD2 TYR A 68 -0.321 -1.600 5.529 1.00 33.13 C ATOM 1085 CE1 TYR A 68 2.193 -0.455 5.648 1.00 22.41 C ATOM 1086 CE2 TYR A 68 -0.188 -0.243 5.783 1.00 11.10 C ATOM 1087 CZ TYR A 68 1.073 0.322 5.843 1.00 42.33 C ATOM 1088 OH TYR A 68 1.214 1.673 6.103 1.00 44.11 O ATOM 0 H TYR A 68 0.476 -6.477 5.138 1.00 52.35 H new ATOM 0 HA TYR A 68 2.168 -4.578 6.491 1.00 74.42 H new ATOM 0 HB2 TYR A 68 1.280 -4.196 4.194 1.00 70.31 H new ATOM 0 HB3 TYR A 68 -0.357 -4.168 4.818 1.00 70.31 H new ATOM 0 HD1 TYR A 68 2.947 -2.405 5.240 1.00 31.31 H new ATOM 0 HD2 TYR A 68 -1.308 -2.037 5.489 1.00 33.13 H new ATOM 0 HE1 TYR A 68 3.175 -0.008 5.696 1.00 22.41 H new ATOM 0 HE2 TYR A 68 -1.065 0.369 5.933 1.00 11.10 H new ATOM 0 HH TYR A 68 2.126 1.955 5.881 1.00 44.11 H new ATOM 1098 N LEU A 69 -0.972 -5.013 7.528 1.00 22.15 N ATOM 1099 CA LEU A 69 -1.990 -4.769 8.586 1.00 64.20 C ATOM 1100 C LEU A 69 -1.475 -5.116 10.013 1.00 35.24 C ATOM 1101 O LEU A 69 -1.695 -4.358 10.961 1.00 1.24 O ATOM 1102 CB LEU A 69 -3.303 -5.567 8.255 1.00 10.15 C ATOM 1103 CG LEU A 69 -4.390 -4.828 7.393 1.00 22.35 C ATOM 1104 CD1 LEU A 69 -5.047 -3.693 8.190 1.00 2.05 C ATOM 1105 CD2 LEU A 69 -3.823 -4.298 6.059 1.00 21.22 C ATOM 0 H LEU A 69 -1.301 -5.643 6.796 1.00 22.15 H new ATOM 0 HA LEU A 69 -2.204 -3.700 8.591 1.00 64.20 H new ATOM 0 HB2 LEU A 69 -3.021 -6.481 7.733 1.00 10.15 H new ATOM 0 HB3 LEU A 69 -3.764 -5.867 9.196 1.00 10.15 H new ATOM 0 HG LEU A 69 -5.152 -5.568 7.147 1.00 22.35 H new ATOM 0 HD11 LEU A 69 -5.795 -3.199 7.570 1.00 2.05 H new ATOM 0 HD12 LEU A 69 -5.526 -4.103 9.079 1.00 2.05 H new ATOM 0 HD13 LEU A 69 -4.287 -2.970 8.488 1.00 2.05 H new ATOM 0 HD21 LEU A 69 -4.614 -3.796 5.501 1.00 21.22 H new ATOM 0 HD22 LEU A 69 -3.017 -3.592 6.261 1.00 21.22 H new ATOM 0 HD23 LEU A 69 -3.437 -5.131 5.471 1.00 21.22 H new ATOM 1117 N LYS A 70 -0.797 -6.262 10.157 1.00 65.13 N ATOM 1118 CA LYS A 70 -0.249 -6.705 11.463 1.00 4.02 C ATOM 1119 C LYS A 70 0.878 -5.772 11.994 1.00 25.40 C ATOM 1120 O LYS A 70 1.071 -5.666 13.207 1.00 52.30 O ATOM 1121 CB LYS A 70 0.248 -8.178 11.373 1.00 62.05 C ATOM 1122 CG LYS A 70 1.434 -8.413 10.408 1.00 0.41 C ATOM 1123 CD LYS A 70 1.836 -9.904 10.274 1.00 41.33 C ATOM 1124 CE LYS A 70 2.194 -10.561 11.623 1.00 62.51 C ATOM 1125 NZ LYS A 70 3.269 -9.830 12.347 1.00 1.24 N ATOM 0 H LYS A 70 -0.610 -6.906 9.389 1.00 65.13 H new ATOM 0 HA LYS A 70 -1.064 -6.647 12.185 1.00 4.02 H new ATOM 0 HB2 LYS A 70 0.540 -8.508 12.370 1.00 62.05 H new ATOM 0 HB3 LYS A 70 -0.585 -8.808 11.060 1.00 62.05 H new ATOM 0 HG2 LYS A 70 1.173 -8.025 9.423 1.00 0.41 H new ATOM 0 HG3 LYS A 70 2.295 -7.843 10.757 1.00 0.41 H new ATOM 0 HD2 LYS A 70 1.015 -10.455 9.816 1.00 41.33 H new ATOM 0 HD3 LYS A 70 2.689 -9.984 9.600 1.00 41.33 H new ATOM 0 HE2 LYS A 70 1.303 -10.604 12.250 1.00 62.51 H new ATOM 0 HE3 LYS A 70 2.512 -11.589 11.449 1.00 62.51 H new ATOM 0 HZ1 LYS A 70 4.094 -10.452 12.463 1.00 1.24 H new ATOM 0 HZ2 LYS A 70 3.544 -8.988 11.802 1.00 1.24 H new ATOM 0 HZ3 LYS A 70 2.921 -9.538 13.283 1.00 1.24 H new ATOM 1139 N GLU A 71 1.640 -5.124 11.083 1.00 5.54 N ATOM 1140 CA GLU A 71 2.796 -4.259 11.457 1.00 42.52 C ATOM 1141 C GLU A 71 2.445 -2.755 11.612 1.00 10.23 C ATOM 1142 O GLU A 71 2.989 -2.090 12.490 1.00 62.41 O ATOM 1143 CB GLU A 71 3.930 -4.439 10.414 1.00 74.22 C ATOM 1144 CG GLU A 71 4.344 -5.906 10.175 1.00 2.30 C ATOM 1145 CD GLU A 71 4.899 -6.628 11.425 1.00 41.15 C ATOM 1146 OE1 GLU A 71 4.100 -7.134 12.251 1.00 32.34 O ATOM 1147 OE2 GLU A 71 6.139 -6.710 11.588 1.00 15.44 O ATOM 0 H GLU A 71 1.478 -5.181 10.078 1.00 5.54 H new ATOM 0 HA GLU A 71 3.120 -4.586 12.445 1.00 42.52 H new ATOM 0 HB2 GLU A 71 3.609 -4.005 9.467 1.00 74.22 H new ATOM 0 HB3 GLU A 71 4.803 -3.876 10.743 1.00 74.22 H new ATOM 0 HG2 GLU A 71 3.480 -6.458 9.806 1.00 2.30 H new ATOM 0 HG3 GLU A 71 5.099 -5.934 9.390 1.00 2.30 H new ATOM 1154 N PHE A 72 1.538 -2.229 10.769 1.00 24.51 N ATOM 1155 CA PHE A 72 1.254 -0.760 10.688 1.00 71.42 C ATOM 1156 C PHE A 72 -0.255 -0.438 10.796 1.00 34.14 C ATOM 1157 O PHE A 72 -0.735 0.558 10.241 1.00 14.12 O ATOM 1158 CB PHE A 72 1.868 -0.165 9.387 1.00 4.33 C ATOM 1159 CG PHE A 72 3.396 -0.131 9.390 1.00 22.41 C ATOM 1160 CD1 PHE A 72 4.079 0.842 10.121 1.00 0.42 C ATOM 1161 CD2 PHE A 72 4.150 -1.072 8.683 1.00 65.31 C ATOM 1162 CE1 PHE A 72 5.459 0.875 10.148 1.00 14.25 C ATOM 1163 CE2 PHE A 72 5.530 -1.035 8.708 1.00 75.44 C ATOM 1164 CZ PHE A 72 6.184 -0.062 9.442 1.00 12.21 C ATOM 0 H PHE A 72 0.980 -2.791 10.126 1.00 24.51 H new ATOM 0 HA PHE A 72 1.728 -0.288 11.549 1.00 71.42 H new ATOM 0 HB2 PHE A 72 1.528 -0.752 8.534 1.00 4.33 H new ATOM 0 HB3 PHE A 72 1.491 0.848 9.248 1.00 4.33 H new ATOM 0 HD1 PHE A 72 3.519 1.581 10.675 1.00 0.42 H new ATOM 0 HD2 PHE A 72 3.647 -1.837 8.110 1.00 65.31 H new ATOM 0 HE1 PHE A 72 5.970 1.634 10.722 1.00 14.25 H new ATOM 0 HE2 PHE A 72 6.099 -1.767 8.154 1.00 75.44 H new ATOM 0 HZ PHE A 72 7.263 -0.036 9.462 1.00 12.21 H new ATOM 1174 N TYR A 73 -0.982 -1.260 11.568 1.00 50.24 N ATOM 1175 CA TYR A 73 -2.419 -1.037 11.853 1.00 63.35 C ATOM 1176 C TYR A 73 -2.801 -1.600 13.236 1.00 51.32 C ATOM 1177 O TYR A 73 -3.345 -0.890 14.078 1.00 42.44 O ATOM 1178 CB TYR A 73 -3.298 -1.664 10.742 1.00 5.31 C ATOM 1179 CG TYR A 73 -4.822 -1.522 10.936 1.00 53.11 C ATOM 1180 CD1 TYR A 73 -5.498 -0.385 10.504 1.00 34.10 C ATOM 1181 CD2 TYR A 73 -5.590 -2.541 11.523 1.00 42.51 C ATOM 1182 CE1 TYR A 73 -6.859 -0.258 10.646 1.00 74.55 C ATOM 1183 CE2 TYR A 73 -6.958 -2.414 11.670 1.00 62.54 C ATOM 1184 CZ TYR A 73 -7.587 -1.269 11.226 1.00 55.53 C ATOM 1185 OH TYR A 73 -8.953 -1.135 11.361 1.00 63.33 O ATOM 0 H TYR A 73 -0.599 -2.094 12.013 1.00 50.24 H new ATOM 0 HA TYR A 73 -2.599 0.038 11.867 1.00 63.35 H new ATOM 0 HB2 TYR A 73 -3.027 -1.208 9.789 1.00 5.31 H new ATOM 0 HB3 TYR A 73 -3.057 -2.724 10.668 1.00 5.31 H new ATOM 0 HD1 TYR A 73 -4.939 0.418 10.046 1.00 34.10 H new ATOM 0 HD2 TYR A 73 -5.102 -3.441 11.866 1.00 42.51 H new ATOM 0 HE1 TYR A 73 -7.357 0.637 10.302 1.00 74.55 H new ATOM 0 HE2 TYR A 73 -7.531 -3.206 12.129 1.00 62.54 H new ATOM 0 HH TYR A 73 -9.320 -1.937 11.789 1.00 63.33 H new ATOM 1195 N THR A 74 -2.513 -2.892 13.450 1.00 12.12 N ATOM 1196 CA THR A 74 -2.926 -3.613 14.677 1.00 50.21 C ATOM 1197 C THR A 74 -2.189 -3.119 15.975 1.00 22.33 C ATOM 1198 O THR A 74 -2.853 -2.932 17.002 1.00 33.35 O ATOM 1199 CB THR A 74 -2.770 -5.166 14.512 1.00 3.40 C ATOM 1200 OG1 THR A 74 -3.334 -5.587 13.250 1.00 54.02 O ATOM 1201 CG2 THR A 74 -3.469 -5.940 15.652 1.00 65.21 C ATOM 0 H THR A 74 -1.992 -3.468 12.788 1.00 12.12 H new ATOM 0 HA THR A 74 -3.982 -3.378 14.811 1.00 50.21 H new ATOM 0 HB THR A 74 -1.704 -5.389 14.546 1.00 3.40 H new ATOM 0 HG1 THR A 74 -2.780 -5.250 12.515 1.00 54.02 H new ATOM 0 HG21 THR A 74 -3.337 -7.011 15.499 1.00 65.21 H new ATOM 0 HG22 THR A 74 -3.031 -5.653 16.608 1.00 65.21 H new ATOM 0 HG23 THR A 74 -4.533 -5.703 15.654 1.00 65.21 H new ATOM 1209 N PRO A 75 -0.814 -2.870 15.982 1.00 54.42 N ATOM 1210 CA PRO A 75 -0.109 -2.336 17.187 1.00 33.52 C ATOM 1211 C PRO A 75 -0.224 -0.793 17.337 1.00 44.21 C ATOM 1212 O PRO A 75 0.425 -0.200 18.210 1.00 63.42 O ATOM 1213 CB PRO A 75 1.353 -2.768 16.935 1.00 53.11 C ATOM 1214 CG PRO A 75 1.503 -2.706 15.446 1.00 64.52 C ATOM 1215 CD PRO A 75 0.155 -3.101 14.868 1.00 74.10 C ATOM 0 HA PRO A 75 -0.535 -2.715 18.116 1.00 33.52 H new ATOM 0 HB2 PRO A 75 2.057 -2.102 17.434 1.00 53.11 H new ATOM 0 HB3 PRO A 75 1.542 -3.773 17.313 1.00 53.11 H new ATOM 0 HG2 PRO A 75 1.786 -1.704 15.125 1.00 64.52 H new ATOM 0 HG3 PRO A 75 2.286 -3.383 15.105 1.00 64.52 H new ATOM 0 HD2 PRO A 75 -0.094 -2.498 13.995 1.00 74.10 H new ATOM 0 HD3 PRO A 75 0.151 -4.143 14.548 1.00 74.10 H new ATOM 1223 N TYR A 76 -1.050 -0.154 16.489 1.00 32.44 N ATOM 1224 CA TYR A 76 -1.182 1.318 16.429 1.00 22.22 C ATOM 1225 C TYR A 76 -2.668 1.755 16.482 1.00 74.30 C ATOM 1226 O TYR A 76 -3.521 1.092 15.889 1.00 34.04 O ATOM 1227 CB TYR A 76 -0.507 1.844 15.129 1.00 40.43 C ATOM 1228 CG TYR A 76 1.014 1.603 15.081 1.00 75.24 C ATOM 1229 CD1 TYR A 76 1.863 2.191 16.024 1.00 14.32 C ATOM 1230 CD2 TYR A 76 1.601 0.786 14.111 1.00 32.14 C ATOM 1231 CE1 TYR A 76 3.228 1.978 16.000 1.00 72.24 C ATOM 1232 CE2 TYR A 76 2.968 0.572 14.086 1.00 4.11 C ATOM 1233 CZ TYR A 76 3.778 1.169 15.027 1.00 22.23 C ATOM 1234 OH TYR A 76 5.145 0.960 14.993 1.00 71.41 O ATOM 0 H TYR A 76 -1.648 -0.643 15.823 1.00 32.44 H new ATOM 0 HA TYR A 76 -0.684 1.747 17.298 1.00 22.22 H new ATOM 0 HB2 TYR A 76 -0.970 1.361 14.269 1.00 40.43 H new ATOM 0 HB3 TYR A 76 -0.700 2.913 15.037 1.00 40.43 H new ATOM 0 HD1 TYR A 76 1.442 2.826 16.789 1.00 14.32 H new ATOM 0 HD2 TYR A 76 0.977 0.313 13.367 1.00 32.14 H new ATOM 0 HE1 TYR A 76 3.862 2.443 16.740 1.00 72.24 H new ATOM 0 HE2 TYR A 76 3.400 -0.064 13.328 1.00 4.11 H new ATOM 0 HH TYR A 76 5.366 0.365 14.247 1.00 71.41 H new ATOM 1244 N PRO A 77 -3.009 2.881 17.197 1.00 14.13 N ATOM 1245 CA PRO A 77 -4.384 3.456 17.169 1.00 14.32 C ATOM 1246 C PRO A 77 -4.752 3.999 15.763 1.00 71.12 C ATOM 1247 O PRO A 77 -3.864 4.188 14.917 1.00 10.21 O ATOM 1248 CB PRO A 77 -4.325 4.586 18.231 1.00 62.33 C ATOM 1249 CG PRO A 77 -2.874 4.954 18.305 1.00 11.13 C ATOM 1250 CD PRO A 77 -2.112 3.662 18.090 1.00 52.21 C ATOM 0 HA PRO A 77 -5.156 2.717 17.386 1.00 14.32 H new ATOM 0 HB2 PRO A 77 -4.937 5.439 17.938 1.00 62.33 H new ATOM 0 HB3 PRO A 77 -4.698 4.244 19.196 1.00 62.33 H new ATOM 0 HG2 PRO A 77 -2.618 5.691 17.544 1.00 11.13 H new ATOM 0 HG3 PRO A 77 -2.631 5.396 19.271 1.00 11.13 H new ATOM 0 HD2 PRO A 77 -1.141 3.840 17.629 1.00 52.21 H new ATOM 0 HD3 PRO A 77 -1.928 3.142 19.030 1.00 52.21 H new ATOM 1258 N ASN A 78 -6.054 4.303 15.553 1.00 52.31 N ATOM 1259 CA ASN A 78 -6.602 4.672 14.219 1.00 62.11 C ATOM 1260 C ASN A 78 -5.851 5.870 13.584 1.00 0.30 C ATOM 1261 O ASN A 78 -5.576 5.860 12.386 1.00 4.32 O ATOM 1262 CB ASN A 78 -8.116 4.993 14.319 1.00 14.51 C ATOM 1263 CG ASN A 78 -8.962 3.785 14.722 1.00 23.23 C ATOM 1264 OD1 ASN A 78 -9.174 3.523 15.901 1.00 34.32 O ATOM 1265 ND2 ASN A 78 -9.442 3.039 13.745 1.00 53.13 N ATOM 0 H ASN A 78 -6.753 4.301 16.296 1.00 52.31 H new ATOM 0 HA ASN A 78 -6.456 3.809 13.569 1.00 62.11 H new ATOM 0 HB2 ASN A 78 -8.264 5.791 15.046 1.00 14.51 H new ATOM 0 HB3 ASN A 78 -8.466 5.369 13.357 1.00 14.51 H new ATOM 0 HD21 ASN A 78 -10.007 2.218 13.961 1.00 53.13 H new ATOM 0 HD22 ASN A 78 -9.248 3.284 12.774 1.00 53.13 H new ATOM 1272 N THR A 79 -5.512 6.884 14.407 1.00 72.45 N ATOM 1273 CA THR A 79 -4.752 8.082 13.979 1.00 23.02 C ATOM 1274 C THR A 79 -3.293 7.769 13.556 1.00 1.54 C ATOM 1275 O THR A 79 -2.803 8.326 12.565 1.00 43.24 O ATOM 1276 CB THR A 79 -4.764 9.139 15.138 1.00 35.41 C ATOM 1277 OG1 THR A 79 -6.124 9.529 15.414 1.00 63.12 O ATOM 1278 CG2 THR A 79 -3.933 10.396 14.827 1.00 42.11 C ATOM 0 H THR A 79 -5.759 6.896 15.396 1.00 72.45 H new ATOM 0 HA THR A 79 -5.246 8.477 13.091 1.00 23.02 H new ATOM 0 HB THR A 79 -4.307 8.661 16.004 1.00 35.41 H new ATOM 0 HG1 THR A 79 -6.135 10.188 16.139 1.00 63.12 H new ATOM 0 HG21 THR A 79 -3.985 11.084 15.670 1.00 42.11 H new ATOM 0 HG22 THR A 79 -2.895 10.112 14.654 1.00 42.11 H new ATOM 0 HG23 THR A 79 -4.329 10.883 13.936 1.00 42.11 H new ATOM 1286 N LYS A 80 -2.587 6.904 14.313 1.00 3.20 N ATOM 1287 CA LYS A 80 -1.193 6.521 13.975 1.00 22.20 C ATOM 1288 C LYS A 80 -1.102 5.768 12.620 1.00 51.42 C ATOM 1289 O LYS A 80 -0.116 5.910 11.888 1.00 43.11 O ATOM 1290 CB LYS A 80 -0.571 5.658 15.099 1.00 45.14 C ATOM 1291 CG LYS A 80 0.967 5.527 15.006 1.00 4.45 C ATOM 1292 CD LYS A 80 1.679 6.880 15.258 1.00 63.44 C ATOM 1293 CE LYS A 80 3.211 6.792 15.161 1.00 24.11 C ATOM 1294 NZ LYS A 80 3.850 8.124 15.356 1.00 64.30 N ATOM 0 H LYS A 80 -2.951 6.459 15.155 1.00 3.20 H new ATOM 0 HA LYS A 80 -0.628 7.448 13.879 1.00 22.20 H new ATOM 0 HB2 LYS A 80 -0.832 6.092 16.064 1.00 45.14 H new ATOM 0 HB3 LYS A 80 -1.014 4.662 15.067 1.00 45.14 H new ATOM 0 HG2 LYS A 80 1.313 4.793 15.734 1.00 4.45 H new ATOM 0 HG3 LYS A 80 1.240 5.151 14.020 1.00 4.45 H new ATOM 0 HD2 LYS A 80 1.318 7.612 14.535 1.00 63.44 H new ATOM 0 HD3 LYS A 80 1.406 7.247 16.247 1.00 63.44 H new ATOM 0 HE2 LYS A 80 3.584 6.095 15.912 1.00 24.11 H new ATOM 0 HE3 LYS A 80 3.492 6.392 14.187 1.00 24.11 H new ATOM 0 HZ1 LYS A 80 4.884 8.012 15.386 1.00 64.30 H new ATOM 0 HZ2 LYS A 80 3.592 8.751 14.568 1.00 64.30 H new ATOM 0 HZ3 LYS A 80 3.521 8.539 16.251 1.00 64.30 H new ATOM 1308 N VAL A 81 -2.157 4.987 12.302 1.00 34.11 N ATOM 1309 CA VAL A 81 -2.280 4.275 11.003 1.00 53.14 C ATOM 1310 C VAL A 81 -2.357 5.286 9.831 1.00 50.31 C ATOM 1311 O VAL A 81 -1.907 5.008 8.725 1.00 73.23 O ATOM 1312 CB VAL A 81 -3.555 3.344 10.963 1.00 43.43 C ATOM 1313 CG1 VAL A 81 -3.627 2.537 9.637 1.00 53.33 C ATOM 1314 CG2 VAL A 81 -3.601 2.402 12.189 1.00 4.43 C ATOM 0 H VAL A 81 -2.945 4.830 12.931 1.00 34.11 H new ATOM 0 HA VAL A 81 -1.391 3.653 10.897 1.00 53.14 H new ATOM 0 HB VAL A 81 -4.432 3.990 11.005 1.00 43.43 H new ATOM 0 HG11 VAL A 81 -4.516 1.907 9.643 1.00 53.33 H new ATOM 0 HG12 VAL A 81 -3.676 3.226 8.794 1.00 53.33 H new ATOM 0 HG13 VAL A 81 -2.739 1.911 9.543 1.00 53.33 H new ATOM 0 HG21 VAL A 81 -4.490 1.774 12.132 1.00 4.43 H new ATOM 0 HG22 VAL A 81 -2.712 1.772 12.197 1.00 4.43 H new ATOM 0 HG23 VAL A 81 -3.634 2.995 13.103 1.00 4.43 H new ATOM 1324 N ILE A 82 -2.925 6.467 10.115 1.00 62.12 N ATOM 1325 CA ILE A 82 -3.130 7.541 9.126 1.00 33.42 C ATOM 1326 C ILE A 82 -1.801 8.194 8.688 1.00 73.02 C ATOM 1327 O ILE A 82 -1.546 8.305 7.486 1.00 33.32 O ATOM 1328 CB ILE A 82 -4.136 8.606 9.695 1.00 3.12 C ATOM 1329 CG1 ILE A 82 -5.522 7.925 9.925 1.00 42.03 C ATOM 1330 CG2 ILE A 82 -4.258 9.864 8.793 1.00 24.35 C ATOM 1331 CD1 ILE A 82 -6.506 8.744 10.712 1.00 2.11 C ATOM 0 H ILE A 82 -3.260 6.708 11.048 1.00 62.12 H new ATOM 0 HA ILE A 82 -3.560 7.096 8.229 1.00 33.42 H new ATOM 0 HB ILE A 82 -3.746 8.969 10.646 1.00 3.12 H new ATOM 0 HG12 ILE A 82 -5.960 7.690 8.955 1.00 42.03 H new ATOM 0 HG13 ILE A 82 -5.364 6.978 10.441 1.00 42.03 H new ATOM 0 HG21 ILE A 82 -4.966 10.563 9.237 1.00 24.35 H new ATOM 0 HG22 ILE A 82 -3.283 10.343 8.703 1.00 24.35 H new ATOM 0 HG23 ILE A 82 -4.610 9.570 7.804 1.00 24.35 H new ATOM 0 HD11 ILE A 82 -7.438 8.189 10.820 1.00 2.11 H new ATOM 0 HD12 ILE A 82 -6.095 8.958 11.699 1.00 2.11 H new ATOM 0 HD13 ILE A 82 -6.700 9.681 10.189 1.00 2.11 H new ATOM 1343 N GLU A 83 -0.955 8.623 9.650 1.00 72.53 N ATOM 1344 CA GLU A 83 0.356 9.241 9.336 1.00 33.30 C ATOM 1345 C GLU A 83 1.363 8.199 8.779 1.00 24.32 C ATOM 1346 O GLU A 83 2.046 8.474 7.782 1.00 40.32 O ATOM 1347 CB GLU A 83 0.930 9.974 10.587 1.00 3.14 C ATOM 1348 CG GLU A 83 1.091 9.095 11.845 1.00 30.32 C ATOM 1349 CD GLU A 83 1.762 9.823 13.018 1.00 50.11 C ATOM 1350 OE1 GLU A 83 3.013 9.876 13.053 1.00 21.21 O ATOM 1351 OE2 GLU A 83 1.053 10.326 13.915 1.00 12.52 O ATOM 0 H GLU A 83 -1.154 8.554 10.648 1.00 72.53 H new ATOM 0 HA GLU A 83 0.197 9.981 8.551 1.00 33.30 H new ATOM 0 HB2 GLU A 83 1.903 10.393 10.329 1.00 3.14 H new ATOM 0 HB3 GLU A 83 0.276 10.812 10.830 1.00 3.14 H new ATOM 0 HG2 GLU A 83 0.109 8.742 12.160 1.00 30.32 H new ATOM 0 HG3 GLU A 83 1.680 8.214 11.590 1.00 30.32 H new ATOM 1358 N LEU A 84 1.455 7.005 9.423 1.00 43.13 N ATOM 1359 CA LEU A 84 2.238 5.853 8.902 1.00 34.22 C ATOM 1360 C LEU A 84 1.704 5.352 7.535 1.00 62.23 C ATOM 1361 O LEU A 84 2.469 4.854 6.704 1.00 41.43 O ATOM 1362 CB LEU A 84 2.252 4.702 9.956 1.00 64.50 C ATOM 1363 CG LEU A 84 3.145 4.948 11.216 1.00 13.42 C ATOM 1364 CD1 LEU A 84 2.955 3.831 12.260 1.00 50.22 C ATOM 1365 CD2 LEU A 84 4.636 5.090 10.834 1.00 61.51 C ATOM 0 H LEU A 84 0.992 6.815 10.312 1.00 43.13 H new ATOM 0 HA LEU A 84 3.260 6.192 8.731 1.00 34.22 H new ATOM 0 HB2 LEU A 84 1.229 4.525 10.287 1.00 64.50 H new ATOM 0 HB3 LEU A 84 2.591 3.789 9.466 1.00 64.50 H new ATOM 0 HG LEU A 84 2.823 5.889 11.663 1.00 13.42 H new ATOM 0 HD11 LEU A 84 3.589 4.029 13.124 1.00 50.22 H new ATOM 0 HD12 LEU A 84 1.912 3.800 12.574 1.00 50.22 H new ATOM 0 HD13 LEU A 84 3.230 2.872 11.821 1.00 50.22 H new ATOM 0 HD21 LEU A 84 5.227 5.260 11.734 1.00 61.51 H new ATOM 0 HD22 LEU A 84 4.975 4.177 10.344 1.00 61.51 H new ATOM 0 HD23 LEU A 84 4.759 5.933 10.154 1.00 61.51 H new ATOM 1377 N GLY A 85 0.395 5.538 7.319 1.00 75.12 N ATOM 1378 CA GLY A 85 -0.263 5.177 6.057 1.00 73.23 C ATOM 1379 C GLY A 85 0.098 6.142 4.930 1.00 64.31 C ATOM 1380 O GLY A 85 0.360 5.725 3.801 1.00 51.20 O ATOM 0 H GLY A 85 -0.235 5.942 8.012 1.00 75.12 H new ATOM 0 HA2 GLY A 85 0.025 4.165 5.774 1.00 73.23 H new ATOM 0 HA3 GLY A 85 -1.344 5.173 6.199 1.00 73.23 H new ATOM 1384 N THR A 86 0.134 7.445 5.249 1.00 24.23 N ATOM 1385 CA THR A 86 0.473 8.507 4.282 1.00 42.31 C ATOM 1386 C THR A 86 1.960 8.453 3.859 1.00 2.22 C ATOM 1387 O THR A 86 2.263 8.570 2.688 1.00 65.13 O ATOM 1388 CB THR A 86 0.132 9.922 4.867 1.00 22.13 C ATOM 1389 OG1 THR A 86 -1.281 10.026 5.100 1.00 12.12 O ATOM 1390 CG2 THR A 86 0.576 11.086 3.950 1.00 40.11 C ATOM 0 H THR A 86 -0.071 7.795 6.185 1.00 24.23 H new ATOM 0 HA THR A 86 -0.133 8.333 3.393 1.00 42.31 H new ATOM 0 HB THR A 86 0.689 10.012 5.800 1.00 22.13 H new ATOM 0 HG1 THR A 86 -1.526 9.477 5.874 1.00 12.12 H new ATOM 0 HG21 THR A 86 0.310 12.036 4.414 1.00 40.11 H new ATOM 0 HG22 THR A 86 1.655 11.043 3.804 1.00 40.11 H new ATOM 0 HG23 THR A 86 0.076 11.001 2.985 1.00 40.11 H new ATOM 1398 N LYS A 87 2.897 8.304 4.811 1.00 60.52 N ATOM 1399 CA LYS A 87 4.350 8.264 4.483 1.00 64.14 C ATOM 1400 C LYS A 87 4.787 6.963 3.741 1.00 62.53 C ATOM 1401 O LYS A 87 5.812 6.963 3.049 1.00 22.01 O ATOM 1402 CB LYS A 87 5.190 8.516 5.766 1.00 55.44 C ATOM 1403 CG LYS A 87 5.132 7.404 6.843 1.00 73.34 C ATOM 1404 CD LYS A 87 5.451 7.928 8.270 1.00 1.34 C ATOM 1405 CE LYS A 87 6.806 8.653 8.388 1.00 73.22 C ATOM 1406 NZ LYS A 87 6.995 9.232 9.748 1.00 31.13 N ATOM 0 H LYS A 87 2.688 8.210 5.805 1.00 60.52 H new ATOM 0 HA LYS A 87 4.543 9.068 3.772 1.00 64.14 H new ATOM 0 HB2 LYS A 87 6.230 8.658 5.474 1.00 55.44 H new ATOM 0 HB3 LYS A 87 4.856 9.450 6.218 1.00 55.44 H new ATOM 0 HG2 LYS A 87 4.139 6.954 6.840 1.00 73.34 H new ATOM 0 HG3 LYS A 87 5.840 6.617 6.584 1.00 73.34 H new ATOM 0 HD2 LYS A 87 4.659 8.609 8.580 1.00 1.34 H new ATOM 0 HD3 LYS A 87 5.439 7.088 8.965 1.00 1.34 H new ATOM 0 HE2 LYS A 87 7.614 7.954 8.173 1.00 73.22 H new ATOM 0 HE3 LYS A 87 6.863 9.446 7.642 1.00 73.22 H new ATOM 0 HZ1 LYS A 87 7.916 9.713 9.796 1.00 31.13 H new ATOM 0 HZ2 LYS A 87 6.236 9.916 9.942 1.00 31.13 H new ATOM 0 HZ3 LYS A 87 6.965 8.471 10.456 1.00 31.13 H new ATOM 1420 N HIS A 88 4.034 5.851 3.907 1.00 44.44 N ATOM 1421 CA HIS A 88 4.264 4.606 3.111 1.00 22.44 C ATOM 1422 C HIS A 88 3.545 4.606 1.723 1.00 45.43 C ATOM 1423 O HIS A 88 4.065 4.018 0.770 1.00 61.35 O ATOM 1424 CB HIS A 88 3.884 3.337 3.928 1.00 52.00 C ATOM 1425 CG HIS A 88 4.859 3.005 5.040 1.00 62.01 C ATOM 1426 ND1 HIS A 88 6.225 2.902 4.841 1.00 2.01 N ATOM 1427 CD2 HIS A 88 4.665 2.742 6.356 1.00 25.31 C ATOM 1428 CE1 HIS A 88 6.816 2.593 5.978 1.00 40.15 C ATOM 1429 NE2 HIS A 88 5.897 2.489 6.913 1.00 55.23 N ATOM 0 H HIS A 88 3.267 5.782 4.576 1.00 44.44 H new ATOM 0 HA HIS A 88 5.333 4.585 2.900 1.00 22.44 H new ATOM 0 HB2 HIS A 88 2.892 3.478 4.358 1.00 52.00 H new ATOM 0 HB3 HIS A 88 3.819 2.486 3.249 1.00 52.00 H new ATOM 0 HD1 HIS A 88 6.702 3.044 3.950 1.00 2.01 H new ATOM 0 HD2 HIS A 88 3.717 2.733 6.872 1.00 25.31 H new ATOM 0 HE1 HIS A 88 7.877 2.449 6.118 1.00 40.15 H new ATOM 1438 N PHE A 89 2.352 5.228 1.603 1.00 52.33 N ATOM 1439 CA PHE A 89 1.564 5.211 0.324 1.00 53.31 C ATOM 1440 C PHE A 89 1.626 6.535 -0.464 1.00 62.14 C ATOM 1441 O PHE A 89 1.709 6.515 -1.694 1.00 32.55 O ATOM 1442 CB PHE A 89 0.093 4.802 0.602 1.00 65.11 C ATOM 1443 CG PHE A 89 -0.032 3.334 0.999 1.00 25.14 C ATOM 1444 CD1 PHE A 89 0.202 2.926 2.309 1.00 2.10 C ATOM 1445 CD2 PHE A 89 -0.327 2.356 0.050 1.00 24.41 C ATOM 1446 CE1 PHE A 89 0.138 1.602 2.657 1.00 14.22 C ATOM 1447 CE2 PHE A 89 -0.382 1.026 0.404 1.00 53.11 C ATOM 1448 CZ PHE A 89 -0.150 0.650 1.708 1.00 14.51 C ATOM 0 H PHE A 89 1.906 5.746 2.360 1.00 52.33 H new ATOM 0 HA PHE A 89 2.036 4.465 -0.315 1.00 53.31 H new ATOM 0 HB2 PHE A 89 -0.312 5.427 1.398 1.00 65.11 H new ATOM 0 HB3 PHE A 89 -0.509 4.988 -0.288 1.00 65.11 H new ATOM 0 HD1 PHE A 89 0.437 3.663 3.062 1.00 2.10 H new ATOM 0 HD2 PHE A 89 -0.514 2.644 -0.974 1.00 24.41 H new ATOM 0 HE1 PHE A 89 0.314 1.305 3.680 1.00 14.22 H new ATOM 0 HE2 PHE A 89 -0.607 0.278 -0.342 1.00 53.11 H new ATOM 0 HZ PHE A 89 -0.194 -0.393 1.985 1.00 14.51 H new ATOM 1458 N LEU A 90 1.534 7.677 0.224 1.00 34.24 N ATOM 1459 CA LEU A 90 1.680 9.009 -0.423 1.00 70.45 C ATOM 1460 C LEU A 90 3.121 9.546 -0.327 1.00 62.14 C ATOM 1461 O LEU A 90 3.443 10.532 -0.985 1.00 60.34 O ATOM 1462 CB LEU A 90 0.705 10.034 0.222 1.00 62.10 C ATOM 1463 CG LEU A 90 -0.803 9.650 0.188 1.00 45.05 C ATOM 1464 CD1 LEU A 90 -1.696 10.765 0.774 1.00 22.10 C ATOM 1465 CD2 LEU A 90 -1.237 9.278 -1.236 1.00 71.32 C ATOM 0 H LEU A 90 1.360 7.719 1.228 1.00 34.24 H new ATOM 0 HA LEU A 90 1.437 8.879 -1.478 1.00 70.45 H new ATOM 0 HB2 LEU A 90 0.999 10.182 1.261 1.00 62.10 H new ATOM 0 HB3 LEU A 90 0.828 10.992 -0.284 1.00 62.10 H new ATOM 0 HG LEU A 90 -0.933 8.774 0.823 1.00 45.05 H new ATOM 0 HD11 LEU A 90 -2.740 10.455 0.731 1.00 22.10 H new ATOM 0 HD12 LEU A 90 -1.415 10.949 1.811 1.00 22.10 H new ATOM 0 HD13 LEU A 90 -1.564 11.679 0.195 1.00 22.10 H new ATOM 0 HD21 LEU A 90 -2.294 9.013 -1.237 1.00 71.32 H new ATOM 0 HD22 LEU A 90 -1.075 10.128 -1.899 1.00 71.32 H new ATOM 0 HD23 LEU A 90 -0.650 8.429 -1.585 1.00 71.32 H new ATOM 1477 N GLY A 91 3.954 8.936 0.555 1.00 41.41 N ATOM 1478 CA GLY A 91 5.333 9.408 0.830 1.00 53.23 C ATOM 1479 C GLY A 91 5.440 10.904 1.190 1.00 62.14 C ATOM 1480 O GLY A 91 6.539 11.468 1.203 1.00 60.13 O ATOM 0 H GLY A 91 3.690 8.109 1.091 1.00 41.41 H new ATOM 0 HA2 GLY A 91 5.748 8.820 1.649 1.00 53.23 H new ATOM 0 HA3 GLY A 91 5.951 9.214 -0.047 1.00 53.23 H new ATOM 1484 N ARG A 92 4.287 11.530 1.520 1.00 60.54 N ATOM 1485 CA ARG A 92 4.125 12.996 1.495 1.00 43.53 C ATOM 1486 C ARG A 92 4.289 13.630 2.888 1.00 51.31 C ATOM 1487 O ARG A 92 5.397 14.043 3.234 1.00 53.22 O ATOM 1488 CB ARG A 92 2.758 13.362 0.845 1.00 32.11 C ATOM 1489 CG ARG A 92 2.489 14.876 0.674 1.00 33.41 C ATOM 1490 CD ARG A 92 1.212 15.170 -0.135 1.00 32.31 C ATOM 1491 NE ARG A 92 0.907 16.615 -0.188 1.00 22.32 N ATOM 1492 CZ ARG A 92 0.550 17.292 -1.264 1.00 42.11 C ATOM 1493 NH1 ARG A 92 0.575 16.753 -2.450 1.00 51.54 N ATOM 1494 NH2 ARG A 92 0.192 18.530 -1.150 1.00 41.40 N ATOM 0 H ARG A 92 3.446 11.031 1.810 1.00 60.54 H new ATOM 0 HA ARG A 92 4.925 13.416 0.885 1.00 43.53 H new ATOM 0 HB2 ARG A 92 2.702 12.887 -0.135 1.00 32.11 H new ATOM 0 HB3 ARG A 92 1.960 12.935 1.452 1.00 32.11 H new ATOM 0 HG2 ARG A 92 2.404 15.338 1.658 1.00 33.41 H new ATOM 0 HG3 ARG A 92 3.342 15.338 0.177 1.00 33.41 H new ATOM 0 HD2 ARG A 92 1.330 14.788 -1.149 1.00 32.31 H new ATOM 0 HD3 ARG A 92 0.371 14.639 0.310 1.00 32.31 H new ATOM 0 HE ARG A 92 0.979 17.137 0.686 1.00 22.32 H new ATOM 0 HH11 ARG A 92 0.876 15.785 -2.564 1.00 51.54 H new ATOM 0 HH12 ARG A 92 0.294 17.299 -3.264 1.00 51.54 H new ATOM 0 HH21 ARG A 92 0.187 18.977 -0.233 1.00 41.40 H new ATOM 0 HH22 ARG A 92 -0.085 19.059 -1.977 1.00 41.40 H new ATOM 1508 N ALA A 93 3.208 13.666 3.696 1.00 42.32 N ATOM 1509 CA ALA A 93 3.147 14.452 4.948 1.00 34.25 C ATOM 1510 C ALA A 93 1.723 14.330 5.550 1.00 72.13 C ATOM 1511 O ALA A 93 0.740 14.385 4.792 1.00 71.11 O ATOM 1512 CB ALA A 93 3.463 15.946 4.691 1.00 42.21 C ATOM 0 H ALA A 93 2.351 13.150 3.498 1.00 42.32 H new ATOM 0 HA ALA A 93 3.892 14.059 5.639 1.00 34.25 H new ATOM 0 HB1 ALA A 93 3.410 16.496 5.631 1.00 42.21 H new ATOM 0 HB2 ALA A 93 4.465 16.039 4.272 1.00 42.21 H new ATOM 0 HB3 ALA A 93 2.737 16.356 3.989 1.00 42.21 H new ATOM 1518 N PRO A 94 1.565 14.138 6.899 1.00 51.10 N ATOM 1519 CA PRO A 94 0.252 14.337 7.561 1.00 34.04 C ATOM 1520 C PRO A 94 -0.129 15.845 7.518 1.00 24.34 C ATOM 1521 O PRO A 94 0.635 16.694 7.994 1.00 1.44 O ATOM 1522 CB PRO A 94 0.491 13.814 9.004 1.00 0.33 C ATOM 1523 CG PRO A 94 1.975 13.950 9.215 1.00 33.03 C ATOM 1524 CD PRO A 94 2.614 13.696 7.861 1.00 43.04 C ATOM 0 HA PRO A 94 -0.578 13.816 7.085 1.00 34.04 H new ATOM 0 HB2 PRO A 94 -0.069 14.397 9.735 1.00 0.33 H new ATOM 0 HB3 PRO A 94 0.169 12.778 9.109 1.00 0.33 H new ATOM 0 HG2 PRO A 94 2.227 14.944 9.585 1.00 33.03 H new ATOM 0 HG3 PRO A 94 2.331 13.234 9.955 1.00 33.03 H new ATOM 0 HD2 PRO A 94 3.537 14.263 7.739 1.00 43.04 H new ATOM 0 HD3 PRO A 94 2.866 12.644 7.726 1.00 43.04 H new ATOM 1532 N ILE A 95 -1.300 16.180 6.936 1.00 43.33 N ATOM 1533 CA ILE A 95 -1.647 17.587 6.614 1.00 42.45 C ATOM 1534 C ILE A 95 -2.090 18.365 7.876 1.00 21.03 C ATOM 1535 O ILE A 95 -1.411 19.305 8.306 1.00 1.44 O ATOM 1536 CB ILE A 95 -2.756 17.671 5.498 1.00 44.42 C ATOM 1537 CG1 ILE A 95 -2.266 16.977 4.182 1.00 72.32 C ATOM 1538 CG2 ILE A 95 -3.188 19.141 5.228 1.00 33.44 C ATOM 1539 CD1 ILE A 95 -3.257 17.014 3.025 1.00 74.30 C ATOM 0 H ILE A 95 -2.019 15.503 6.680 1.00 43.33 H new ATOM 0 HA ILE A 95 -0.742 18.055 6.226 1.00 42.45 H new ATOM 0 HB ILE A 95 -3.635 17.138 5.861 1.00 44.42 H new ATOM 0 HG12 ILE A 95 -1.339 17.453 3.862 1.00 72.32 H new ATOM 0 HG13 ILE A 95 -2.029 15.936 4.405 1.00 72.32 H new ATOM 0 HG21 ILE A 95 -3.954 19.159 4.453 1.00 33.44 H new ATOM 0 HG22 ILE A 95 -3.588 19.577 6.143 1.00 33.44 H new ATOM 0 HG23 ILE A 95 -2.325 19.719 4.898 1.00 33.44 H new ATOM 0 HD11 ILE A 95 -2.826 16.509 2.161 1.00 74.30 H new ATOM 0 HD12 ILE A 95 -4.178 16.510 3.318 1.00 74.30 H new ATOM 0 HD13 ILE A 95 -3.477 18.050 2.767 1.00 74.30 H new ATOM 1551 N ASP A 96 -3.203 17.944 8.496 1.00 42.41 N ATOM 1552 CA ASP A 96 -3.860 18.678 9.610 1.00 14.33 C ATOM 1553 C ASP A 96 -4.730 17.677 10.412 1.00 72.44 C ATOM 1554 O ASP A 96 -5.007 16.589 9.917 1.00 54.41 O ATOM 1555 CB ASP A 96 -4.728 19.832 9.037 1.00 24.02 C ATOM 1556 CG ASP A 96 -5.308 20.765 10.116 1.00 5.52 C ATOM 1557 OD1 ASP A 96 -4.556 21.617 10.639 1.00 22.22 O ATOM 1558 OD2 ASP A 96 -6.497 20.633 10.467 1.00 74.34 O ATOM 0 H ASP A 96 -3.683 17.080 8.243 1.00 42.41 H new ATOM 0 HA ASP A 96 -3.112 19.115 10.272 1.00 14.33 H new ATOM 0 HB2 ASP A 96 -4.124 20.421 8.347 1.00 24.02 H new ATOM 0 HB3 ASP A 96 -5.548 19.406 8.459 1.00 24.02 H new ATOM 1563 N GLN A 97 -5.193 18.059 11.618 1.00 14.14 N ATOM 1564 CA GLN A 97 -6.055 17.181 12.456 1.00 32.51 C ATOM 1565 C GLN A 97 -7.446 16.942 11.787 1.00 52.23 C ATOM 1566 O GLN A 97 -8.052 15.892 11.976 1.00 62.43 O ATOM 1567 CB GLN A 97 -6.204 17.761 13.887 1.00 22.11 C ATOM 1568 CG GLN A 97 -7.045 16.910 14.872 1.00 2.01 C ATOM 1569 CD GLN A 97 -6.535 15.467 15.048 1.00 55.45 C ATOM 1570 OE1 GLN A 97 -6.967 14.547 14.359 1.00 51.13 O ATOM 1571 NE2 GLN A 97 -5.607 15.261 15.961 1.00 73.20 N ATOM 0 H GLN A 97 -4.989 18.965 12.039 1.00 14.14 H new ATOM 0 HA GLN A 97 -5.567 16.210 12.538 1.00 32.51 H new ATOM 0 HB2 GLN A 97 -5.209 17.896 14.310 1.00 22.11 H new ATOM 0 HB3 GLN A 97 -6.656 18.750 13.813 1.00 22.11 H new ATOM 0 HG2 GLN A 97 -7.054 17.402 15.845 1.00 2.01 H new ATOM 0 HG3 GLN A 97 -8.076 16.879 14.520 1.00 2.01 H new ATOM 0 HE21 GLN A 97 -5.262 16.040 16.522 1.00 73.20 H new ATOM 0 HE22 GLN A 97 -5.234 14.323 16.106 1.00 73.20 H new ATOM 1580 N ALA A 98 -7.906 17.907 10.966 1.00 54.23 N ATOM 1581 CA ALA A 98 -9.161 17.771 10.183 1.00 51.02 C ATOM 1582 C ALA A 98 -9.001 16.744 9.025 1.00 14.15 C ATOM 1583 O ALA A 98 -9.929 15.980 8.729 1.00 71.21 O ATOM 1584 CB ALA A 98 -9.602 19.142 9.648 1.00 34.31 C ATOM 0 H ALA A 98 -7.427 18.796 10.824 1.00 54.23 H new ATOM 0 HA ALA A 98 -9.937 17.390 10.847 1.00 51.02 H new ATOM 0 HB1 ALA A 98 -10.523 19.030 9.076 1.00 34.31 H new ATOM 0 HB2 ALA A 98 -9.774 19.820 10.484 1.00 34.31 H new ATOM 0 HB3 ALA A 98 -8.822 19.550 9.005 1.00 34.31 H new ATOM 1590 N GLU A 99 -7.813 16.740 8.379 1.00 44.44 N ATOM 1591 CA GLU A 99 -7.438 15.716 7.369 1.00 45.54 C ATOM 1592 C GLU A 99 -7.332 14.321 8.021 1.00 51.14 C ATOM 1593 O GLU A 99 -7.866 13.333 7.502 1.00 22.14 O ATOM 1594 CB GLU A 99 -6.092 16.096 6.679 1.00 31.21 C ATOM 1595 CG GLU A 99 -5.520 15.036 5.700 1.00 74.30 C ATOM 1596 CD GLU A 99 -6.471 14.688 4.536 1.00 25.41 C ATOM 1597 OE1 GLU A 99 -7.304 13.771 4.687 1.00 72.02 O ATOM 1598 OE2 GLU A 99 -6.406 15.338 3.469 1.00 15.11 O ATOM 0 H GLU A 99 -7.089 17.441 8.539 1.00 44.44 H new ATOM 0 HA GLU A 99 -8.220 15.683 6.610 1.00 45.54 H new ATOM 0 HB2 GLU A 99 -6.234 17.029 6.134 1.00 31.21 H new ATOM 0 HB3 GLU A 99 -5.349 16.289 7.453 1.00 31.21 H new ATOM 0 HG2 GLU A 99 -4.579 15.403 5.291 1.00 74.30 H new ATOM 0 HG3 GLU A 99 -5.293 14.126 6.256 1.00 74.30 H new ATOM 1605 N ILE A 100 -6.661 14.271 9.180 1.00 74.22 N ATOM 1606 CA ILE A 100 -6.549 13.049 9.988 1.00 4.30 C ATOM 1607 C ILE A 100 -7.952 12.541 10.404 1.00 14.20 C ATOM 1608 O ILE A 100 -8.195 11.350 10.395 1.00 11.45 O ATOM 1609 CB ILE A 100 -5.646 13.285 11.257 1.00 60.03 C ATOM 1610 CG1 ILE A 100 -4.183 13.649 10.841 1.00 0.30 C ATOM 1611 CG2 ILE A 100 -5.649 12.059 12.191 1.00 31.12 C ATOM 1612 CD1 ILE A 100 -3.260 13.993 12.002 1.00 61.54 C ATOM 0 H ILE A 100 -6.181 15.076 9.583 1.00 74.22 H new ATOM 0 HA ILE A 100 -6.071 12.285 9.375 1.00 4.30 H new ATOM 0 HB ILE A 100 -6.071 14.125 11.806 1.00 60.03 H new ATOM 0 HG12 ILE A 100 -3.756 12.810 10.291 1.00 0.30 H new ATOM 0 HG13 ILE A 100 -4.214 14.496 10.156 1.00 0.30 H new ATOM 0 HG21 ILE A 100 -5.015 12.258 13.055 1.00 31.12 H new ATOM 0 HG22 ILE A 100 -6.667 11.859 12.526 1.00 31.12 H new ATOM 0 HG23 ILE A 100 -5.267 11.191 11.654 1.00 31.12 H new ATOM 0 HD11 ILE A 100 -2.268 14.232 11.619 1.00 61.54 H new ATOM 0 HD12 ILE A 100 -3.658 14.853 12.541 1.00 61.54 H new ATOM 0 HD13 ILE A 100 -3.193 13.141 12.678 1.00 61.54 H new ATOM 1624 N ARG A 101 -8.883 13.472 10.699 1.00 72.23 N ATOM 1625 CA ARG A 101 -10.286 13.124 11.033 1.00 10.15 C ATOM 1626 C ARG A 101 -11.043 12.568 9.804 1.00 13.20 C ATOM 1627 O ARG A 101 -11.934 11.741 9.966 1.00 0.51 O ATOM 1628 CB ARG A 101 -11.062 14.335 11.627 1.00 40.15 C ATOM 1629 CG ARG A 101 -10.777 14.629 13.120 1.00 63.11 C ATOM 1630 CD ARG A 101 -11.737 15.691 13.694 1.00 14.02 C ATOM 1631 NE ARG A 101 -13.151 15.306 13.494 1.00 2.43 N ATOM 1632 CZ ARG A 101 -14.201 15.939 13.971 1.00 71.22 C ATOM 1633 NH1 ARG A 101 -14.085 16.955 14.768 1.00 73.31 N ATOM 1634 NH2 ARG A 101 -15.382 15.524 13.650 1.00 23.14 N ATOM 0 H ARG A 101 -8.691 14.474 10.713 1.00 72.23 H new ATOM 0 HA ARG A 101 -10.235 12.345 11.794 1.00 10.15 H new ATOM 0 HB2 ARG A 101 -10.818 15.224 11.045 1.00 40.15 H new ATOM 0 HB3 ARG A 101 -12.130 14.157 11.505 1.00 40.15 H new ATOM 0 HG2 ARG A 101 -10.870 13.708 13.695 1.00 63.11 H new ATOM 0 HG3 ARG A 101 -9.748 14.972 13.232 1.00 63.11 H new ATOM 0 HD2 ARG A 101 -11.541 15.823 14.758 1.00 14.02 H new ATOM 0 HD3 ARG A 101 -11.549 16.651 13.214 1.00 14.02 H new ATOM 0 HE ARG A 101 -13.329 14.472 12.934 1.00 2.43 H new ATOM 0 HH11 ARG A 101 -13.160 17.285 15.042 1.00 73.31 H new ATOM 0 HH12 ARG A 101 -14.919 17.424 15.121 1.00 73.31 H new ATOM 0 HH21 ARG A 101 -15.489 14.717 13.036 1.00 23.14 H new ATOM 0 HH22 ARG A 101 -16.207 16.003 14.011 1.00 23.14 H new ATOM 1648 N LYS A 102 -10.693 13.044 8.588 1.00 10.23 N ATOM 1649 CA LYS A 102 -11.327 12.571 7.334 1.00 2.21 C ATOM 1650 C LYS A 102 -10.905 11.119 6.999 1.00 44.50 C ATOM 1651 O LYS A 102 -11.759 10.277 6.731 1.00 25.01 O ATOM 1652 CB LYS A 102 -11.019 13.533 6.152 1.00 15.31 C ATOM 1653 CG LYS A 102 -11.608 13.080 4.787 1.00 73.22 C ATOM 1654 CD LYS A 102 -11.640 14.205 3.722 1.00 22.40 C ATOM 1655 CE LYS A 102 -10.259 14.811 3.420 1.00 4.24 C ATOM 1656 NZ LYS A 102 -9.315 13.826 2.838 1.00 43.12 N ATOM 0 H LYS A 102 -9.975 13.755 8.447 1.00 10.23 H new ATOM 0 HA LYS A 102 -12.406 12.571 7.491 1.00 2.21 H new ATOM 0 HB2 LYS A 102 -11.410 14.522 6.393 1.00 15.31 H new ATOM 0 HB3 LYS A 102 -9.938 13.633 6.053 1.00 15.31 H new ATOM 0 HG2 LYS A 102 -11.019 12.246 4.405 1.00 73.22 H new ATOM 0 HG3 LYS A 102 -12.621 12.710 4.943 1.00 73.22 H new ATOM 0 HD2 LYS A 102 -12.062 13.807 2.799 1.00 22.40 H new ATOM 0 HD3 LYS A 102 -12.308 14.997 4.063 1.00 22.40 H new ATOM 0 HE2 LYS A 102 -10.377 15.646 2.730 1.00 4.24 H new ATOM 0 HE3 LYS A 102 -9.835 15.214 4.340 1.00 4.24 H new ATOM 0 HZ1 LYS A 102 -8.665 13.490 3.577 1.00 43.12 H new ATOM 0 HZ2 LYS A 102 -9.848 13.020 2.453 1.00 43.12 H new ATOM 0 HZ3 LYS A 102 -8.770 14.276 2.075 1.00 43.12 H new ATOM 1670 N TYR A 103 -9.588 10.833 7.015 1.00 30.54 N ATOM 1671 CA TYR A 103 -9.065 9.449 6.851 1.00 55.21 C ATOM 1672 C TYR A 103 -9.533 8.507 7.998 1.00 34.22 C ATOM 1673 O TYR A 103 -9.832 7.334 7.760 1.00 72.43 O ATOM 1674 CB TYR A 103 -7.515 9.466 6.756 1.00 22.21 C ATOM 1675 CG TYR A 103 -6.928 10.119 5.489 1.00 20.42 C ATOM 1676 CD1 TYR A 103 -7.633 10.141 4.276 1.00 42.14 C ATOM 1677 CD2 TYR A 103 -5.648 10.690 5.499 1.00 44.31 C ATOM 1678 CE1 TYR A 103 -7.087 10.709 3.139 1.00 60.15 C ATOM 1679 CE2 TYR A 103 -5.099 11.251 4.362 1.00 21.24 C ATOM 1680 CZ TYR A 103 -5.820 11.260 3.188 1.00 1.31 C ATOM 1681 OH TYR A 103 -5.265 11.809 2.056 1.00 64.13 O ATOM 0 H TYR A 103 -8.861 11.538 7.140 1.00 30.54 H new ATOM 0 HA TYR A 103 -9.474 9.052 5.922 1.00 55.21 H new ATOM 0 HB2 TYR A 103 -7.122 9.990 7.627 1.00 22.21 H new ATOM 0 HB3 TYR A 103 -7.155 8.439 6.813 1.00 22.21 H new ATOM 0 HD1 TYR A 103 -8.621 9.706 4.229 1.00 42.14 H new ATOM 0 HD2 TYR A 103 -5.078 10.691 6.416 1.00 44.31 H new ATOM 0 HE1 TYR A 103 -7.648 10.722 2.216 1.00 60.15 H new ATOM 0 HE2 TYR A 103 -4.109 11.681 4.393 1.00 21.24 H new ATOM 0 HH TYR A 103 -4.371 12.153 2.264 1.00 64.13 H new ATOM 1691 N ASN A 104 -9.578 9.045 9.236 1.00 62.01 N ATOM 1692 CA ASN A 104 -10.166 8.358 10.421 1.00 43.13 C ATOM 1693 C ASN A 104 -11.667 8.047 10.202 1.00 55.35 C ATOM 1694 O ASN A 104 -12.157 7.003 10.633 1.00 73.33 O ATOM 1695 CB ASN A 104 -9.970 9.237 11.691 1.00 25.21 C ATOM 1696 CG ASN A 104 -10.450 8.595 12.990 1.00 42.31 C ATOM 1697 OD1 ASN A 104 -11.601 8.734 13.386 1.00 13.04 O ATOM 1698 ND2 ASN A 104 -9.570 7.885 13.666 1.00 63.51 N ATOM 0 H ASN A 104 -9.208 9.971 9.449 1.00 62.01 H new ATOM 0 HA ASN A 104 -9.649 7.409 10.560 1.00 43.13 H new ATOM 0 HB2 ASN A 104 -8.912 9.478 11.790 1.00 25.21 H new ATOM 0 HB3 ASN A 104 -10.500 10.179 11.550 1.00 25.21 H new ATOM 0 HD21 ASN A 104 -9.841 7.436 14.541 1.00 63.51 H new ATOM 0 HD22 ASN A 104 -8.618 7.785 13.315 1.00 63.51 H new ATOM 1705 N GLN A 105 -12.367 8.966 9.514 1.00 4.51 N ATOM 1706 CA GLN A 105 -13.805 8.837 9.205 1.00 1.33 C ATOM 1707 C GLN A 105 -14.049 7.710 8.178 1.00 32.32 C ATOM 1708 O GLN A 105 -14.958 6.911 8.349 1.00 44.51 O ATOM 1709 CB GLN A 105 -14.365 10.187 8.672 1.00 65.11 C ATOM 1710 CG GLN A 105 -15.897 10.241 8.517 1.00 43.13 C ATOM 1711 CD GLN A 105 -16.651 10.113 9.845 1.00 35.50 C ATOM 1712 OE1 GLN A 105 -16.176 10.526 10.901 1.00 72.54 O ATOM 1713 NE2 GLN A 105 -17.834 9.552 9.802 1.00 4.30 N ATOM 0 H GLN A 105 -11.950 9.824 9.154 1.00 4.51 H new ATOM 0 HA GLN A 105 -14.330 8.578 10.124 1.00 1.33 H new ATOM 0 HB2 GLN A 105 -14.055 10.984 9.348 1.00 65.11 H new ATOM 0 HB3 GLN A 105 -13.909 10.395 7.704 1.00 65.11 H new ATOM 0 HG2 GLN A 105 -16.173 11.182 8.041 1.00 43.13 H new ATOM 0 HG3 GLN A 105 -16.215 9.440 7.849 1.00 43.13 H new ATOM 0 HE21 GLN A 105 -18.208 9.217 8.914 1.00 4.30 H new ATOM 0 HE22 GLN A 105 -18.382 9.450 10.657 1.00 4.30 H new ATOM 1722 N ILE A 106 -13.209 7.657 7.123 1.00 60.13 N ATOM 1723 CA ILE A 106 -13.281 6.613 6.067 1.00 70.35 C ATOM 1724 C ILE A 106 -12.971 5.209 6.656 1.00 3.24 C ATOM 1725 O ILE A 106 -13.635 4.222 6.340 1.00 3.32 O ATOM 1726 CB ILE A 106 -12.274 6.944 4.894 1.00 32.10 C ATOM 1727 CG1 ILE A 106 -12.562 8.366 4.307 1.00 2.31 C ATOM 1728 CG2 ILE A 106 -12.322 5.868 3.778 1.00 33.23 C ATOM 1729 CD1 ILE A 106 -11.523 8.883 3.320 1.00 24.05 C ATOM 0 H ILE A 106 -12.461 8.334 6.975 1.00 60.13 H new ATOM 0 HA ILE A 106 -14.296 6.604 5.669 1.00 70.35 H new ATOM 0 HB ILE A 106 -11.267 6.938 5.311 1.00 32.10 H new ATOM 0 HG12 ILE A 106 -13.533 8.347 3.812 1.00 2.31 H new ATOM 0 HG13 ILE A 106 -12.639 9.074 5.133 1.00 2.31 H new ATOM 0 HG21 ILE A 106 -11.617 6.130 2.989 1.00 33.23 H new ATOM 0 HG22 ILE A 106 -12.055 4.898 4.196 1.00 33.23 H new ATOM 0 HG23 ILE A 106 -13.329 5.819 3.363 1.00 33.23 H new ATOM 0 HD11 ILE A 106 -11.814 9.874 2.972 1.00 24.05 H new ATOM 0 HD12 ILE A 106 -10.552 8.941 3.811 1.00 24.05 H new ATOM 0 HD13 ILE A 106 -11.459 8.204 2.470 1.00 24.05 H new ATOM 1741 N LEU A 107 -11.946 5.164 7.513 1.00 42.35 N ATOM 1742 CA LEU A 107 -11.534 3.956 8.258 1.00 12.21 C ATOM 1743 C LEU A 107 -12.615 3.490 9.281 1.00 60.41 C ATOM 1744 O LEU A 107 -12.778 2.287 9.517 1.00 55.23 O ATOM 1745 CB LEU A 107 -10.173 4.263 8.949 1.00 23.44 C ATOM 1746 CG LEU A 107 -9.487 3.114 9.758 1.00 44.05 C ATOM 1747 CD1 LEU A 107 -9.330 1.837 8.918 1.00 34.12 C ATOM 1748 CD2 LEU A 107 -8.115 3.566 10.297 1.00 71.21 C ATOM 0 H LEU A 107 -11.365 5.977 7.716 1.00 42.35 H new ATOM 0 HA LEU A 107 -11.420 3.123 7.565 1.00 12.21 H new ATOM 0 HB2 LEU A 107 -9.475 4.593 8.180 1.00 23.44 H new ATOM 0 HB3 LEU A 107 -10.324 5.104 9.625 1.00 23.44 H new ATOM 0 HG LEU A 107 -10.139 2.882 10.600 1.00 44.05 H new ATOM 0 HD11 LEU A 107 -8.849 1.064 9.517 1.00 34.12 H new ATOM 0 HD12 LEU A 107 -10.312 1.489 8.597 1.00 34.12 H new ATOM 0 HD13 LEU A 107 -8.717 2.051 8.042 1.00 34.12 H new ATOM 0 HD21 LEU A 107 -7.657 2.750 10.856 1.00 71.21 H new ATOM 0 HD22 LEU A 107 -7.469 3.842 9.463 1.00 71.21 H new ATOM 0 HD23 LEU A 107 -8.247 4.426 10.953 1.00 71.21 H new ATOM 1760 N ALA A 108 -13.355 4.449 9.871 1.00 32.12 N ATOM 1761 CA ALA A 108 -14.413 4.154 10.877 1.00 63.13 C ATOM 1762 C ALA A 108 -15.734 3.679 10.220 1.00 62.54 C ATOM 1763 O ALA A 108 -16.352 2.712 10.677 1.00 11.04 O ATOM 1764 CB ALA A 108 -14.666 5.390 11.756 1.00 41.53 C ATOM 0 H ALA A 108 -13.244 5.443 9.671 1.00 32.12 H new ATOM 0 HA ALA A 108 -14.052 3.335 11.499 1.00 63.13 H new ATOM 0 HB1 ALA A 108 -15.441 5.163 12.488 1.00 41.53 H new ATOM 0 HB2 ALA A 108 -13.746 5.663 12.274 1.00 41.53 H new ATOM 0 HB3 ALA A 108 -14.990 6.221 11.130 1.00 41.53 H new ATOM 1770 N THR A 109 -16.168 4.396 9.170 1.00 14.30 N ATOM 1771 CA THR A 109 -17.405 4.088 8.409 1.00 74.24 C ATOM 1772 C THR A 109 -17.257 2.806 7.570 1.00 32.13 C ATOM 1773 O THR A 109 -18.153 1.955 7.554 1.00 3.44 O ATOM 1774 CB THR A 109 -17.801 5.267 7.451 1.00 12.31 C ATOM 1775 OG1 THR A 109 -16.696 5.582 6.582 1.00 31.32 O ATOM 1776 CG2 THR A 109 -18.231 6.530 8.227 1.00 61.20 C ATOM 0 H THR A 109 -15.671 5.214 8.817 1.00 14.30 H new ATOM 0 HA THR A 109 -18.189 3.943 9.153 1.00 74.24 H new ATOM 0 HB THR A 109 -18.657 4.937 6.862 1.00 12.31 H new ATOM 0 HG1 THR A 109 -16.028 6.101 7.077 1.00 31.32 H new ATOM 0 HG21 THR A 109 -18.495 7.318 7.522 1.00 61.20 H new ATOM 0 HG22 THR A 109 -19.094 6.297 8.851 1.00 61.20 H new ATOM 0 HG23 THR A 109 -17.408 6.868 8.857 1.00 61.20 H new ATOM 1784 N GLN A 110 -16.116 2.676 6.870 1.00 71.15 N ATOM 1785 CA GLN A 110 -15.870 1.570 5.919 1.00 41.44 C ATOM 1786 C GLN A 110 -14.788 0.587 6.441 1.00 34.12 C ATOM 1787 O GLN A 110 -15.110 -0.555 6.787 1.00 22.24 O ATOM 1788 CB GLN A 110 -15.471 2.161 4.541 1.00 52.33 C ATOM 1789 CG GLN A 110 -16.523 3.107 3.924 1.00 20.23 C ATOM 1790 CD GLN A 110 -16.100 3.679 2.570 1.00 35.34 C ATOM 1791 OE1 GLN A 110 -16.365 3.098 1.523 1.00 24.33 O ATOM 1792 NE2 GLN A 110 -15.414 4.803 2.580 1.00 61.31 N ATOM 0 H GLN A 110 -15.338 3.332 6.945 1.00 71.15 H new ATOM 0 HA GLN A 110 -16.788 0.993 5.813 1.00 41.44 H new ATOM 0 HB2 GLN A 110 -14.532 2.704 4.650 1.00 52.33 H new ATOM 0 HB3 GLN A 110 -15.286 1.341 3.847 1.00 52.33 H new ATOM 0 HG2 GLN A 110 -17.462 2.567 3.805 1.00 20.23 H new ATOM 0 HG3 GLN A 110 -16.713 3.929 4.615 1.00 20.23 H new ATOM 0 HE21 GLN A 110 -15.207 5.266 3.465 1.00 61.31 H new ATOM 0 HE22 GLN A 110 -15.090 5.210 1.703 1.00 61.31 H new ATOM 1801 N GLY A 111 -13.509 1.033 6.512 1.00 11.23 N ATOM 1802 CA GLY A 111 -12.396 0.140 6.892 1.00 1.11 C ATOM 1803 C GLY A 111 -11.063 0.491 6.218 1.00 3.31 C ATOM 1804 O GLY A 111 -10.935 1.542 5.568 1.00 73.12 O ATOM 0 H GLY A 111 -13.229 1.994 6.313 1.00 11.23 H new ATOM 0 HA2 GLY A 111 -12.266 0.176 7.974 1.00 1.11 H new ATOM 0 HA3 GLY A 111 -12.662 -0.886 6.637 1.00 1.11 H new ATOM 1808 N ILE A 112 -10.069 -0.417 6.376 1.00 62.34 N ATOM 1809 CA ILE A 112 -8.666 -0.201 5.924 1.00 71.12 C ATOM 1810 C ILE A 112 -8.544 -0.107 4.383 1.00 11.10 C ATOM 1811 O ILE A 112 -7.793 0.718 3.875 1.00 24.01 O ATOM 1812 CB ILE A 112 -7.698 -1.327 6.468 1.00 51.30 C ATOM 1813 CG1 ILE A 112 -6.203 -1.045 6.069 1.00 15.14 C ATOM 1814 CG2 ILE A 112 -8.140 -2.742 6.003 1.00 32.41 C ATOM 1815 CD1 ILE A 112 -5.578 0.168 6.737 1.00 12.40 C ATOM 0 H ILE A 112 -10.215 -1.323 6.821 1.00 62.34 H new ATOM 0 HA ILE A 112 -8.364 0.759 6.343 1.00 71.12 H new ATOM 0 HB ILE A 112 -7.763 -1.303 7.556 1.00 51.30 H new ATOM 0 HG12 ILE A 112 -5.606 -1.923 6.313 1.00 15.14 H new ATOM 0 HG13 ILE A 112 -6.150 -0.914 4.988 1.00 15.14 H new ATOM 0 HG21 ILE A 112 -7.449 -3.487 6.398 1.00 32.41 H new ATOM 0 HG22 ILE A 112 -9.145 -2.948 6.371 1.00 32.41 H new ATOM 0 HG23 ILE A 112 -8.136 -2.785 4.914 1.00 32.41 H new ATOM 0 HD11 ILE A 112 -4.548 0.279 6.399 1.00 12.40 H new ATOM 0 HD12 ILE A 112 -6.145 1.061 6.473 1.00 12.40 H new ATOM 0 HD13 ILE A 112 -5.592 0.035 7.819 1.00 12.40 H new ATOM 1827 N ARG A 113 -9.307 -0.939 3.656 1.00 55.01 N ATOM 1828 CA ARG A 113 -9.243 -1.006 2.173 1.00 33.45 C ATOM 1829 C ARG A 113 -9.725 0.301 1.519 1.00 52.11 C ATOM 1830 O ARG A 113 -9.204 0.712 0.480 1.00 42.31 O ATOM 1831 CB ARG A 113 -10.073 -2.193 1.634 1.00 75.52 C ATOM 1832 CG ARG A 113 -9.569 -3.573 2.081 1.00 53.02 C ATOM 1833 CD ARG A 113 -10.341 -4.715 1.411 1.00 33.11 C ATOM 1834 NE ARG A 113 -9.740 -6.016 1.717 1.00 41.31 N ATOM 1835 CZ ARG A 113 -9.638 -7.022 0.883 1.00 21.02 C ATOM 1836 NH1 ARG A 113 -10.151 -6.977 -0.310 1.00 31.04 N ATOM 1837 NH2 ARG A 113 -9.032 -8.090 1.264 1.00 24.54 N ATOM 0 H ARG A 113 -9.983 -1.582 4.068 1.00 55.01 H new ATOM 0 HA ARG A 113 -8.196 -1.154 1.910 1.00 33.45 H new ATOM 0 HB2 ARG A 113 -11.107 -2.075 1.958 1.00 75.52 H new ATOM 0 HB3 ARG A 113 -10.074 -2.155 0.545 1.00 75.52 H new ATOM 0 HG2 ARG A 113 -8.509 -3.665 1.844 1.00 53.02 H new ATOM 0 HG3 ARG A 113 -9.663 -3.659 3.164 1.00 53.02 H new ATOM 0 HD2 ARG A 113 -11.378 -4.703 1.748 1.00 33.11 H new ATOM 0 HD3 ARG A 113 -10.355 -4.563 0.332 1.00 33.11 H new ATOM 0 HE ARG A 113 -9.370 -6.150 2.658 1.00 41.31 H new ATOM 0 HH11 ARG A 113 -10.649 -6.143 -0.620 1.00 31.04 H new ATOM 0 HH12 ARG A 113 -10.055 -7.776 -0.937 1.00 31.04 H new ATOM 0 HH21 ARG A 113 -8.639 -8.146 2.204 1.00 24.54 H new ATOM 0 HH22 ARG A 113 -8.944 -8.882 0.627 1.00 24.54 H new ATOM 1851 N ALA A 114 -10.702 0.946 2.166 1.00 11.44 N ATOM 1852 CA ALA A 114 -11.277 2.220 1.710 1.00 43.33 C ATOM 1853 C ALA A 114 -10.335 3.391 2.058 1.00 5.32 C ATOM 1854 O ALA A 114 -10.248 4.371 1.320 1.00 11.31 O ATOM 1855 CB ALA A 114 -12.655 2.417 2.345 1.00 54.25 C ATOM 0 H ALA A 114 -11.121 0.597 3.028 1.00 11.44 H new ATOM 0 HA ALA A 114 -11.392 2.196 0.626 1.00 43.33 H new ATOM 0 HB1 ALA A 114 -13.080 3.362 2.006 1.00 54.25 H new ATOM 0 HB2 ALA A 114 -13.311 1.598 2.051 1.00 54.25 H new ATOM 0 HB3 ALA A 114 -12.557 2.432 3.430 1.00 54.25 H new ATOM 1861 N PHE A 115 -9.652 3.263 3.216 1.00 51.33 N ATOM 1862 CA PHE A 115 -8.612 4.210 3.680 1.00 4.02 C ATOM 1863 C PHE A 115 -7.402 4.242 2.699 1.00 54.50 C ATOM 1864 O PHE A 115 -6.989 5.314 2.247 1.00 24.43 O ATOM 1865 CB PHE A 115 -8.175 3.814 5.131 1.00 13.23 C ATOM 1866 CG PHE A 115 -6.855 4.428 5.613 1.00 22.23 C ATOM 1867 CD1 PHE A 115 -6.748 5.785 5.920 1.00 24.35 C ATOM 1868 CD2 PHE A 115 -5.711 3.635 5.745 1.00 53.11 C ATOM 1869 CE1 PHE A 115 -5.541 6.319 6.340 1.00 52.41 C ATOM 1870 CE2 PHE A 115 -4.512 4.168 6.166 1.00 53.02 C ATOM 1871 CZ PHE A 115 -4.427 5.509 6.463 1.00 11.15 C ATOM 0 H PHE A 115 -9.808 2.490 3.863 1.00 51.33 H new ATOM 0 HA PHE A 115 -9.022 5.220 3.699 1.00 4.02 H new ATOM 0 HB2 PHE A 115 -8.965 4.106 5.822 1.00 13.23 H new ATOM 0 HB3 PHE A 115 -8.091 2.728 5.183 1.00 13.23 H new ATOM 0 HD1 PHE A 115 -7.614 6.424 5.829 1.00 24.35 H new ATOM 0 HD2 PHE A 115 -5.768 2.582 5.512 1.00 53.11 H new ATOM 0 HE1 PHE A 115 -5.470 7.371 6.572 1.00 52.41 H new ATOM 0 HE2 PHE A 115 -3.642 3.535 6.263 1.00 53.02 H new ATOM 0 HZ PHE A 115 -3.489 5.930 6.793 1.00 11.15 H new ATOM 1881 N ILE A 116 -6.861 3.046 2.387 1.00 34.31 N ATOM 1882 CA ILE A 116 -5.725 2.871 1.455 1.00 52.42 C ATOM 1883 C ILE A 116 -6.095 3.364 0.037 1.00 10.41 C ATOM 1884 O ILE A 116 -5.358 4.148 -0.549 1.00 0.24 O ATOM 1885 CB ILE A 116 -5.249 1.364 1.406 1.00 13.40 C ATOM 1886 CG1 ILE A 116 -4.765 0.883 2.815 1.00 2.21 C ATOM 1887 CG2 ILE A 116 -4.145 1.145 0.336 1.00 43.05 C ATOM 1888 CD1 ILE A 116 -3.564 1.629 3.379 1.00 31.01 C ATOM 0 H ILE A 116 -7.202 2.167 2.777 1.00 34.31 H new ATOM 0 HA ILE A 116 -4.898 3.475 1.828 1.00 52.42 H new ATOM 0 HB ILE A 116 -6.109 0.760 1.117 1.00 13.40 H new ATOM 0 HG12 ILE A 116 -5.593 0.977 3.517 1.00 2.21 H new ATOM 0 HG13 ILE A 116 -4.518 -0.177 2.754 1.00 2.21 H new ATOM 0 HG21 ILE A 116 -3.844 0.097 0.333 1.00 43.05 H new ATOM 0 HG22 ILE A 116 -4.532 1.414 -0.647 1.00 43.05 H new ATOM 0 HG23 ILE A 116 -3.283 1.769 0.570 1.00 43.05 H new ATOM 0 HD11 ILE A 116 -3.308 1.221 4.357 1.00 31.01 H new ATOM 0 HD12 ILE A 116 -2.715 1.515 2.705 1.00 31.01 H new ATOM 0 HD13 ILE A 116 -3.807 2.687 3.480 1.00 31.01 H new ATOM 1900 N ASN A 117 -7.233 2.876 -0.500 1.00 44.23 N ATOM 1901 CA ASN A 117 -7.827 3.376 -1.770 1.00 4.02 C ATOM 1902 C ASN A 117 -7.918 4.934 -1.808 1.00 11.24 C ATOM 1903 O ASN A 117 -7.473 5.559 -2.773 1.00 12.23 O ATOM 1904 CB ASN A 117 -9.223 2.726 -1.974 1.00 40.40 C ATOM 1905 CG ASN A 117 -9.896 3.085 -3.305 1.00 4.44 C ATOM 1906 OD1 ASN A 117 -10.639 4.054 -3.402 1.00 4.33 O ATOM 1907 ND2 ASN A 117 -9.633 2.320 -4.345 1.00 32.44 N ATOM 0 H ASN A 117 -7.771 2.124 -0.069 1.00 44.23 H new ATOM 0 HA ASN A 117 -7.170 3.089 -2.591 1.00 4.02 H new ATOM 0 HB2 ASN A 117 -9.119 1.643 -1.913 1.00 40.40 H new ATOM 0 HB3 ASN A 117 -9.876 3.030 -1.156 1.00 40.40 H new ATOM 0 HD21 ASN A 117 -10.051 2.530 -5.251 1.00 32.44 H new ATOM 0 HD22 ASN A 117 -9.012 1.518 -4.244 1.00 32.44 H new ATOM 1914 N ALA A 118 -8.438 5.542 -0.717 1.00 24.51 N ATOM 1915 CA ALA A 118 -8.575 7.021 -0.584 1.00 44.22 C ATOM 1916 C ALA A 118 -7.208 7.753 -0.692 1.00 20.10 C ATOM 1917 O ALA A 118 -7.139 8.880 -1.201 1.00 42.42 O ATOM 1918 CB ALA A 118 -9.270 7.379 0.741 1.00 72.13 C ATOM 0 H ALA A 118 -8.775 5.028 0.097 1.00 24.51 H new ATOM 0 HA ALA A 118 -9.190 7.362 -1.416 1.00 44.22 H new ATOM 0 HB1 ALA A 118 -9.362 8.462 0.822 1.00 72.13 H new ATOM 0 HB2 ALA A 118 -10.262 6.928 0.765 1.00 72.13 H new ATOM 0 HB3 ALA A 118 -8.679 7.001 1.575 1.00 72.13 H new ATOM 1924 N LEU A 119 -6.134 7.100 -0.199 1.00 52.44 N ATOM 1925 CA LEU A 119 -4.745 7.587 -0.372 1.00 53.52 C ATOM 1926 C LEU A 119 -4.294 7.463 -1.857 1.00 12.11 C ATOM 1927 O LEU A 119 -3.965 8.453 -2.503 1.00 25.03 O ATOM 1928 CB LEU A 119 -3.760 6.777 0.532 1.00 10.14 C ATOM 1929 CG LEU A 119 -4.038 6.785 2.070 1.00 73.43 C ATOM 1930 CD1 LEU A 119 -3.057 5.864 2.825 1.00 64.21 C ATOM 1931 CD2 LEU A 119 -4.005 8.211 2.647 1.00 23.53 C ATOM 0 H LEU A 119 -6.202 6.228 0.326 1.00 52.44 H new ATOM 0 HA LEU A 119 -4.725 8.637 -0.079 1.00 53.52 H new ATOM 0 HB2 LEU A 119 -3.763 5.741 0.193 1.00 10.14 H new ATOM 0 HB3 LEU A 119 -2.754 7.163 0.368 1.00 10.14 H new ATOM 0 HG LEU A 119 -5.045 6.393 2.214 1.00 73.43 H new ATOM 0 HD11 LEU A 119 -3.278 5.893 3.892 1.00 64.21 H new ATOM 0 HD12 LEU A 119 -3.163 4.842 2.460 1.00 64.21 H new ATOM 0 HD13 LEU A 119 -2.035 6.205 2.657 1.00 64.21 H new ATOM 0 HD21 LEU A 119 -4.203 8.175 3.718 1.00 23.53 H new ATOM 0 HD22 LEU A 119 -3.023 8.651 2.474 1.00 23.53 H new ATOM 0 HD23 LEU A 119 -4.766 8.819 2.158 1.00 23.53 H new ATOM 1943 N VAL A 120 -4.341 6.232 -2.384 1.00 51.31 N ATOM 1944 CA VAL A 120 -3.687 5.842 -3.660 1.00 63.43 C ATOM 1945 C VAL A 120 -4.256 6.580 -4.912 1.00 11.21 C ATOM 1946 O VAL A 120 -3.501 6.910 -5.833 1.00 63.12 O ATOM 1947 CB VAL A 120 -3.747 4.272 -3.832 1.00 52.45 C ATOM 1948 CG1 VAL A 120 -3.176 3.802 -5.190 1.00 73.54 C ATOM 1949 CG2 VAL A 120 -3.004 3.566 -2.665 1.00 10.23 C ATOM 0 H VAL A 120 -4.839 5.462 -1.937 1.00 51.31 H new ATOM 0 HA VAL A 120 -2.647 6.161 -3.595 1.00 63.43 H new ATOM 0 HB VAL A 120 -4.800 3.993 -3.811 1.00 52.45 H new ATOM 0 HG11 VAL A 120 -3.241 2.716 -5.256 1.00 73.54 H new ATOM 0 HG12 VAL A 120 -3.750 4.250 -6.001 1.00 73.54 H new ATOM 0 HG13 VAL A 120 -2.133 4.108 -5.272 1.00 73.54 H new ATOM 0 HG21 VAL A 120 -3.056 2.486 -2.801 1.00 10.23 H new ATOM 0 HG22 VAL A 120 -1.960 3.880 -2.655 1.00 10.23 H new ATOM 0 HG23 VAL A 120 -3.473 3.836 -1.719 1.00 10.23 H new ATOM 1959 N ASN A 121 -5.575 6.853 -4.948 1.00 75.15 N ATOM 1960 CA ASN A 121 -6.185 7.650 -6.053 1.00 71.34 C ATOM 1961 C ASN A 121 -6.619 9.066 -5.582 1.00 41.22 C ATOM 1962 O ASN A 121 -7.613 9.623 -6.066 1.00 1.44 O ATOM 1963 CB ASN A 121 -7.341 6.866 -6.733 1.00 25.24 C ATOM 1964 CG ASN A 121 -8.440 6.414 -5.779 1.00 12.31 C ATOM 1965 OD1 ASN A 121 -9.389 7.139 -5.508 1.00 31.50 O ATOM 1966 ND2 ASN A 121 -8.339 5.201 -5.285 1.00 52.12 N ATOM 0 H ASN A 121 -6.239 6.542 -4.239 1.00 75.15 H new ATOM 0 HA ASN A 121 -5.417 7.809 -6.810 1.00 71.34 H new ATOM 0 HB2 ASN A 121 -7.783 7.493 -7.507 1.00 25.24 H new ATOM 0 HB3 ASN A 121 -6.926 5.990 -7.231 1.00 25.24 H new ATOM 0 HD21 ASN A 121 -9.061 4.843 -4.660 1.00 52.12 H new ATOM 0 HD22 ASN A 121 -7.538 4.617 -5.526 1.00 52.12 H new ATOM 1973 N SER A 122 -5.820 9.666 -4.673 1.00 63.12 N ATOM 1974 CA SER A 122 -5.980 11.090 -4.269 1.00 42.30 C ATOM 1975 C SER A 122 -5.259 12.028 -5.266 1.00 53.35 C ATOM 1976 O SER A 122 -4.480 11.579 -6.122 1.00 5.01 O ATOM 1977 CB SER A 122 -5.416 11.341 -2.842 1.00 53.51 C ATOM 1978 OG SER A 122 -3.993 11.242 -2.807 1.00 34.31 O ATOM 0 H SER A 122 -5.053 9.188 -4.200 1.00 63.12 H new ATOM 0 HA SER A 122 -7.048 11.305 -4.271 1.00 42.30 H new ATOM 0 HB2 SER A 122 -5.719 12.331 -2.501 1.00 53.51 H new ATOM 0 HB3 SER A 122 -5.847 10.619 -2.149 1.00 53.51 H new ATOM 0 HG SER A 122 -3.733 10.303 -2.699 1.00 34.31 H new ATOM 1984 N GLN A 123 -5.487 13.338 -5.106 1.00 33.43 N ATOM 1985 CA GLN A 123 -4.828 14.399 -5.909 1.00 1.25 C ATOM 1986 C GLN A 123 -3.321 14.494 -5.545 1.00 70.25 C ATOM 1987 O GLN A 123 -2.460 14.807 -6.383 1.00 41.35 O ATOM 1988 CB GLN A 123 -5.560 15.740 -5.613 1.00 42.41 C ATOM 1989 CG GLN A 123 -4.871 17.013 -6.142 1.00 14.03 C ATOM 1990 CD GLN A 123 -5.609 18.296 -5.750 1.00 3.44 C ATOM 1991 OE1 GLN A 123 -6.456 18.795 -6.485 1.00 44.54 O ATOM 1992 NE2 GLN A 123 -5.317 18.825 -4.576 1.00 2.42 N ATOM 0 H GLN A 123 -6.138 13.704 -4.412 1.00 33.43 H new ATOM 0 HA GLN A 123 -4.890 14.169 -6.973 1.00 1.25 H new ATOM 0 HB2 GLN A 123 -6.561 15.687 -6.041 1.00 42.41 H new ATOM 0 HB3 GLN A 123 -5.679 15.836 -4.534 1.00 42.41 H new ATOM 0 HG2 GLN A 123 -3.852 17.055 -5.758 1.00 14.03 H new ATOM 0 HG3 GLN A 123 -4.801 16.958 -7.228 1.00 14.03 H new ATOM 0 HE21 GLN A 123 -4.609 18.392 -3.983 1.00 2.42 H new ATOM 0 HE22 GLN A 123 -5.799 19.667 -4.262 1.00 2.42 H new ATOM 2001 N GLU A 124 -3.046 14.185 -4.269 1.00 63.52 N ATOM 2002 CA GLU A 124 -1.721 14.284 -3.633 1.00 13.14 C ATOM 2003 C GLU A 124 -0.746 13.216 -4.180 1.00 53.14 C ATOM 2004 O GLU A 124 0.456 13.472 -4.313 1.00 53.12 O ATOM 2005 CB GLU A 124 -1.886 14.144 -2.089 1.00 35.41 C ATOM 2006 CG GLU A 124 -2.621 15.321 -1.369 1.00 43.44 C ATOM 2007 CD GLU A 124 -3.990 15.729 -1.964 1.00 60.10 C ATOM 2008 OE1 GLU A 124 -4.910 14.881 -2.013 1.00 34.45 O ATOM 2009 OE2 GLU A 124 -4.132 16.878 -2.447 1.00 30.12 O ATOM 0 H GLU A 124 -3.764 13.847 -3.628 1.00 63.52 H new ATOM 0 HA GLU A 124 -1.291 15.257 -3.868 1.00 13.14 H new ATOM 0 HB2 GLU A 124 -2.430 13.222 -1.884 1.00 35.41 H new ATOM 0 HB3 GLU A 124 -0.896 14.035 -1.646 1.00 35.41 H new ATOM 0 HG2 GLU A 124 -2.768 15.047 -0.324 1.00 43.44 H new ATOM 0 HG3 GLU A 124 -1.967 16.193 -1.381 1.00 43.44 H new ATOM 2016 N TYR A 125 -1.278 12.015 -4.471 1.00 33.32 N ATOM 2017 CA TYR A 125 -0.510 10.929 -5.128 1.00 4.43 C ATOM 2018 C TYR A 125 -0.342 11.207 -6.641 1.00 13.32 C ATOM 2019 O TYR A 125 0.720 10.929 -7.219 1.00 42.11 O ATOM 2020 CB TYR A 125 -1.222 9.565 -4.914 1.00 3.10 C ATOM 2021 CG TYR A 125 -0.395 8.329 -5.348 1.00 22.03 C ATOM 2022 CD1 TYR A 125 0.585 7.786 -4.508 1.00 70.24 C ATOM 2023 CD2 TYR A 125 -0.590 7.713 -6.592 1.00 41.43 C ATOM 2024 CE1 TYR A 125 1.334 6.686 -4.892 1.00 11.21 C ATOM 2025 CE2 TYR A 125 0.153 6.613 -6.974 1.00 40.05 C ATOM 2026 CZ TYR A 125 1.114 6.102 -6.124 1.00 70.41 C ATOM 2027 OH TYR A 125 1.860 5.007 -6.513 1.00 70.30 O ATOM 0 H TYR A 125 -2.245 11.766 -4.261 1.00 33.32 H new ATOM 0 HA TYR A 125 0.480 10.891 -4.675 1.00 4.43 H new ATOM 0 HB2 TYR A 125 -1.475 9.464 -3.859 1.00 3.10 H new ATOM 0 HB3 TYR A 125 -2.161 9.570 -5.468 1.00 3.10 H new ATOM 0 HD1 TYR A 125 0.760 8.234 -3.541 1.00 70.24 H new ATOM 0 HD2 TYR A 125 -1.337 8.107 -7.266 1.00 41.43 H new ATOM 0 HE1 TYR A 125 2.088 6.286 -4.230 1.00 11.21 H new ATOM 0 HE2 TYR A 125 -0.017 6.153 -7.936 1.00 40.05 H new ATOM 0 HH TYR A 125 1.578 4.719 -7.406 1.00 70.30 H new ATOM 2037 N ASN A 126 -1.408 11.770 -7.255 1.00 44.44 N ATOM 2038 CA ASN A 126 -1.512 11.955 -8.721 1.00 35.15 C ATOM 2039 C ASN A 126 -0.331 12.764 -9.302 1.00 0.13 C ATOM 2040 O ASN A 126 0.420 12.251 -10.129 1.00 74.42 O ATOM 2041 CB ASN A 126 -2.858 12.647 -9.072 1.00 12.52 C ATOM 2042 CG ASN A 126 -3.170 12.740 -10.583 1.00 24.50 C ATOM 2043 OD1 ASN A 126 -2.297 12.808 -11.442 1.00 63.44 O ATOM 2044 ND2 ASN A 126 -4.435 12.781 -10.919 1.00 13.31 N ATOM 0 H ASN A 126 -2.224 12.110 -6.745 1.00 44.44 H new ATOM 0 HA ASN A 126 -1.475 10.965 -9.176 1.00 35.15 H new ATOM 0 HB2 ASN A 126 -3.667 12.105 -8.582 1.00 12.52 H new ATOM 0 HB3 ASN A 126 -2.851 13.654 -8.655 1.00 12.52 H new ATOM 0 HD21 ASN A 126 -4.699 12.870 -11.900 1.00 13.31 H new ATOM 0 HD22 ASN A 126 -5.156 12.724 -10.200 1.00 13.31 H new ATOM 2051 N GLU A 127 -0.161 14.020 -8.860 1.00 72.23 N ATOM 2052 CA GLU A 127 0.774 14.968 -9.514 1.00 51.31 C ATOM 2053 C GLU A 127 2.246 14.649 -9.169 1.00 34.05 C ATOM 2054 O GLU A 127 3.131 14.750 -10.025 1.00 44.15 O ATOM 2055 CB GLU A 127 0.436 16.421 -9.084 1.00 41.14 C ATOM 2056 CG GLU A 127 -1.007 16.856 -9.410 1.00 25.53 C ATOM 2057 CD GLU A 127 -1.330 18.277 -8.919 1.00 21.35 C ATOM 2058 OE1 GLU A 127 -0.998 19.254 -9.628 1.00 25.33 O ATOM 2059 OE2 GLU A 127 -1.911 18.421 -7.817 1.00 65.13 O ATOM 0 H GLU A 127 -0.654 14.408 -8.056 1.00 72.23 H new ATOM 0 HA GLU A 127 0.654 14.864 -10.592 1.00 51.31 H new ATOM 0 HB2 GLU A 127 0.599 16.518 -8.011 1.00 41.14 H new ATOM 0 HB3 GLU A 127 1.129 17.104 -9.575 1.00 41.14 H new ATOM 0 HG2 GLU A 127 -1.161 16.806 -10.488 1.00 25.53 H new ATOM 0 HG3 GLU A 127 -1.704 16.153 -8.955 1.00 25.53 H new ATOM 2066 N VAL A 128 2.480 14.257 -7.902 1.00 43.01 N ATOM 2067 CA VAL A 128 3.835 14.015 -7.355 1.00 23.12 C ATOM 2068 C VAL A 128 4.472 12.727 -7.949 1.00 61.11 C ATOM 2069 O VAL A 128 5.653 12.713 -8.324 1.00 30.51 O ATOM 2070 CB VAL A 128 3.796 13.917 -5.776 1.00 51.34 C ATOM 2071 CG1 VAL A 128 5.217 13.743 -5.176 1.00 42.24 C ATOM 2072 CG2 VAL A 128 3.074 15.145 -5.154 1.00 24.33 C ATOM 0 H VAL A 128 1.734 14.098 -7.224 1.00 43.01 H new ATOM 0 HA VAL A 128 4.454 14.865 -7.643 1.00 23.12 H new ATOM 0 HB VAL A 128 3.223 13.025 -5.522 1.00 51.34 H new ATOM 0 HG11 VAL A 128 5.148 13.680 -4.090 1.00 42.24 H new ATOM 0 HG12 VAL A 128 5.667 12.830 -5.565 1.00 42.24 H new ATOM 0 HG13 VAL A 128 5.835 14.598 -5.451 1.00 42.24 H new ATOM 0 HG21 VAL A 128 3.063 15.049 -4.068 1.00 24.33 H new ATOM 0 HG22 VAL A 128 3.602 16.057 -5.432 1.00 24.33 H new ATOM 0 HG23 VAL A 128 2.050 15.191 -5.525 1.00 24.33 H new ATOM 2082 N PHE A 129 3.675 11.643 -8.025 1.00 12.33 N ATOM 2083 CA PHE A 129 4.160 10.308 -8.475 1.00 32.53 C ATOM 2084 C PHE A 129 3.763 10.006 -9.935 1.00 24.31 C ATOM 2085 O PHE A 129 4.591 9.534 -10.728 1.00 64.41 O ATOM 2086 CB PHE A 129 3.627 9.208 -7.518 1.00 74.34 C ATOM 2087 CG PHE A 129 4.136 9.392 -6.093 1.00 64.45 C ATOM 2088 CD1 PHE A 129 5.386 8.905 -5.711 1.00 54.41 C ATOM 2089 CD2 PHE A 129 3.393 10.097 -5.154 1.00 31.34 C ATOM 2090 CE1 PHE A 129 5.868 9.113 -4.434 1.00 43.21 C ATOM 2091 CE2 PHE A 129 3.878 10.308 -3.888 1.00 71.43 C ATOM 2092 CZ PHE A 129 5.117 9.814 -3.524 1.00 24.14 C ATOM 0 H PHE A 129 2.685 11.659 -7.780 1.00 12.33 H new ATOM 0 HA PHE A 129 5.249 10.318 -8.442 1.00 32.53 H new ATOM 0 HB2 PHE A 129 2.537 9.225 -7.518 1.00 74.34 H new ATOM 0 HB3 PHE A 129 3.931 8.228 -7.887 1.00 74.34 H new ATOM 0 HD1 PHE A 129 5.985 8.358 -6.424 1.00 54.41 H new ATOM 0 HD2 PHE A 129 2.421 10.484 -5.424 1.00 31.34 H new ATOM 0 HE1 PHE A 129 6.835 8.724 -4.151 1.00 43.21 H new ATOM 0 HE2 PHE A 129 3.289 10.863 -3.172 1.00 71.43 H new ATOM 0 HZ PHE A 129 5.493 9.979 -2.525 1.00 24.14 H new ATOM 2102 N GLY A 130 2.493 10.276 -10.282 1.00 24.43 N ATOM 2103 CA GLY A 130 1.972 9.994 -11.635 1.00 63.54 C ATOM 2104 C GLY A 130 1.542 8.542 -11.843 1.00 62.30 C ATOM 2105 O GLY A 130 1.490 8.077 -12.985 1.00 1.55 O ATOM 0 H GLY A 130 1.808 10.688 -9.648 1.00 24.43 H new ATOM 0 HA2 GLY A 130 1.120 10.646 -11.829 1.00 63.54 H new ATOM 0 HA3 GLY A 130 2.739 10.244 -12.368 1.00 63.54 H new ATOM 2109 N GLU A 131 1.288 7.830 -10.717 1.00 51.11 N ATOM 2110 CA GLU A 131 0.743 6.433 -10.634 1.00 54.13 C ATOM 2111 C GLU A 131 1.547 5.314 -11.376 1.00 61.44 C ATOM 2112 O GLU A 131 1.181 4.129 -11.295 1.00 0.14 O ATOM 2113 CB GLU A 131 -0.770 6.377 -11.020 1.00 61.33 C ATOM 2114 CG GLU A 131 -1.131 6.459 -12.521 1.00 53.23 C ATOM 2115 CD GLU A 131 -2.628 6.205 -12.787 1.00 41.13 C ATOM 2116 OE1 GLU A 131 -3.469 7.015 -12.326 1.00 45.33 O ATOM 2117 OE2 GLU A 131 -2.973 5.187 -13.430 1.00 71.35 O ATOM 0 H GLU A 131 1.463 8.224 -9.793 1.00 51.11 H new ATOM 0 HA GLU A 131 0.868 6.189 -9.579 1.00 54.13 H new ATOM 0 HB2 GLU A 131 -1.183 5.448 -10.626 1.00 61.33 H new ATOM 0 HB3 GLU A 131 -1.278 7.194 -10.508 1.00 61.33 H new ATOM 0 HG2 GLU A 131 -0.860 7.444 -12.902 1.00 53.23 H new ATOM 0 HG3 GLU A 131 -0.539 5.729 -13.073 1.00 53.23 H new ATOM 2124 N ASP A 132 2.640 5.670 -12.064 1.00 12.11 N ATOM 2125 CA ASP A 132 3.478 4.707 -12.815 1.00 71.25 C ATOM 2126 C ASP A 132 4.654 4.183 -11.949 1.00 65.21 C ATOM 2127 O ASP A 132 5.253 3.142 -12.256 1.00 32.24 O ATOM 2128 CB ASP A 132 3.988 5.396 -14.102 1.00 61.55 C ATOM 2129 CG ASP A 132 4.800 4.468 -15.024 1.00 4.14 C ATOM 2130 OD1 ASP A 132 4.186 3.675 -15.771 1.00 15.55 O ATOM 2131 OD2 ASP A 132 6.045 4.547 -15.019 1.00 73.24 O ATOM 0 H ASP A 132 2.974 6.632 -12.120 1.00 12.11 H new ATOM 0 HA ASP A 132 2.879 3.837 -13.082 1.00 71.25 H new ATOM 0 HB2 ASP A 132 3.135 5.787 -14.656 1.00 61.55 H new ATOM 0 HB3 ASP A 132 4.607 6.250 -13.825 1.00 61.55 H new ATOM 2136 N THR A 133 4.955 4.907 -10.856 1.00 33.43 N ATOM 2137 CA THR A 133 6.097 4.601 -9.963 1.00 75.50 C ATOM 2138 C THR A 133 5.642 4.049 -8.599 1.00 10.25 C ATOM 2139 O THR A 133 4.478 4.185 -8.204 1.00 74.43 O ATOM 2140 CB THR A 133 6.998 5.874 -9.734 1.00 65.20 C ATOM 2141 OG1 THR A 133 8.134 5.554 -8.903 1.00 41.31 O ATOM 2142 CG2 THR A 133 6.221 7.040 -9.110 1.00 12.55 C ATOM 0 H THR A 133 4.416 5.722 -10.563 1.00 33.43 H new ATOM 0 HA THR A 133 6.679 3.829 -10.467 1.00 75.50 H new ATOM 0 HB THR A 133 7.341 6.191 -10.719 1.00 65.20 H new ATOM 0 HG1 THR A 133 7.873 5.603 -7.960 1.00 41.31 H new ATOM 0 HG21 THR A 133 6.889 7.891 -8.974 1.00 12.55 H new ATOM 0 HG22 THR A 133 5.401 7.324 -9.769 1.00 12.55 H new ATOM 0 HG23 THR A 133 5.821 6.735 -8.143 1.00 12.55 H new ATOM 2150 N VAL A 134 6.602 3.415 -7.900 1.00 22.13 N ATOM 2151 CA VAL A 134 6.484 3.038 -6.479 1.00 44.23 C ATOM 2152 C VAL A 134 6.500 4.333 -5.626 1.00 54.24 C ATOM 2153 O VAL A 134 7.286 5.241 -5.942 1.00 65.41 O ATOM 2154 CB VAL A 134 7.683 2.084 -6.046 1.00 52.22 C ATOM 2155 CG1 VAL A 134 7.678 1.775 -4.524 1.00 20.51 C ATOM 2156 CG2 VAL A 134 7.676 0.769 -6.868 1.00 1.44 C ATOM 0 H VAL A 134 7.495 3.146 -8.313 1.00 22.13 H new ATOM 0 HA VAL A 134 5.552 2.495 -6.323 1.00 44.23 H new ATOM 0 HB VAL A 134 8.604 2.626 -6.261 1.00 52.22 H new ATOM 0 HG11 VAL A 134 8.516 1.121 -4.283 1.00 20.51 H new ATOM 0 HG12 VAL A 134 7.771 2.705 -3.964 1.00 20.51 H new ATOM 0 HG13 VAL A 134 6.744 1.282 -4.256 1.00 20.51 H new ATOM 0 HG21 VAL A 134 8.506 0.137 -6.551 1.00 1.44 H new ATOM 0 HG22 VAL A 134 6.736 0.243 -6.704 1.00 1.44 H new ATOM 0 HG23 VAL A 134 7.782 1.002 -7.928 1.00 1.44 H new ATOM 2166 N PRO A 135 5.617 4.474 -4.576 1.00 3.12 N ATOM 2167 CA PRO A 135 5.670 5.619 -3.639 1.00 1.40 C ATOM 2168 C PRO A 135 7.050 5.748 -2.952 1.00 1.34 C ATOM 2169 O PRO A 135 7.308 5.147 -1.905 1.00 54.34 O ATOM 2170 CB PRO A 135 4.532 5.332 -2.619 1.00 12.14 C ATOM 2171 CG PRO A 135 4.235 3.874 -2.786 1.00 54.20 C ATOM 2172 CD PRO A 135 4.485 3.581 -4.245 1.00 61.31 C ATOM 0 HA PRO A 135 5.534 6.573 -4.149 1.00 1.40 H new ATOM 0 HB2 PRO A 135 4.846 5.559 -1.600 1.00 12.14 H new ATOM 0 HB3 PRO A 135 3.652 5.942 -2.824 1.00 12.14 H new ATOM 0 HG2 PRO A 135 4.876 3.266 -2.147 1.00 54.20 H new ATOM 0 HG3 PRO A 135 3.205 3.648 -2.510 1.00 54.20 H new ATOM 0 HD2 PRO A 135 4.737 2.533 -4.409 1.00 61.31 H new ATOM 0 HD3 PRO A 135 3.609 3.797 -4.856 1.00 61.31 H new ATOM 2180 N TYR A 136 7.957 6.480 -3.616 1.00 61.04 N ATOM 2181 CA TYR A 136 9.266 6.811 -3.060 1.00 42.32 C ATOM 2182 C TYR A 136 9.079 7.822 -1.909 1.00 1.12 C ATOM 2183 O TYR A 136 8.651 8.961 -2.125 1.00 3.24 O ATOM 2184 CB TYR A 136 10.256 7.314 -4.168 1.00 72.53 C ATOM 2185 CG TYR A 136 9.727 8.427 -5.103 1.00 3.21 C ATOM 2186 CD1 TYR A 136 9.885 9.783 -4.791 1.00 34.14 C ATOM 2187 CD2 TYR A 136 9.077 8.117 -6.305 1.00 21.35 C ATOM 2188 CE1 TYR A 136 9.412 10.774 -5.627 1.00 53.13 C ATOM 2189 CE2 TYR A 136 8.605 9.111 -7.144 1.00 60.31 C ATOM 2190 CZ TYR A 136 8.773 10.435 -6.800 1.00 22.32 C ATOM 2191 OH TYR A 136 8.300 11.430 -7.632 1.00 32.30 O ATOM 0 H TYR A 136 7.799 6.856 -4.551 1.00 61.04 H new ATOM 0 HA TYR A 136 9.729 5.913 -2.651 1.00 42.32 H new ATOM 0 HB2 TYR A 136 11.160 7.678 -3.680 1.00 72.53 H new ATOM 0 HB3 TYR A 136 10.546 6.461 -4.781 1.00 72.53 H new ATOM 0 HD1 TYR A 136 10.388 10.059 -3.876 1.00 34.14 H new ATOM 0 HD2 TYR A 136 8.942 7.082 -6.582 1.00 21.35 H new ATOM 0 HE1 TYR A 136 9.542 11.813 -5.363 1.00 53.13 H new ATOM 0 HE2 TYR A 136 8.106 8.850 -8.066 1.00 60.31 H new ATOM 0 HH TYR A 136 7.327 11.500 -7.538 1.00 32.30 H new