USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 834 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 84 ASN : amide:sc= -0.213 X(o=-0.21,f=-0.074) USER MOD Set 1.2: A 86 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 24 HIS : no HE2:sc= 0.717 K(o=1.5,f=-0.32) USER MOD Set 2.2: A 50 TYR OH : rot 136:sc= 0.826 USER MOD Set 3.1: A 8 LYS NZ :NH3+ -103:sc= 2.14 (180deg=-0.708) USER MOD Set 3.2: A 69 TYR OH : rot 30:sc= 0.885 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 138:sc=-0.00497 (180deg=-0.239) USER MOD Single : A 6 ASN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 9 HIS : no HE2:sc= -1.92! C(o=-1.9!,f=-4!) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= -0.202 K(o=-0.2,f=-2.1!) USER MOD Single : A 16 LYS NZ :NH3+ 169:sc= 1.27 (180deg=1.04) USER MOD Single : A 17 LYS NZ :NH3+ 139:sc= 1.2 (180deg=1.06) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.104 USER MOD Single : A 22 SER OG : rot -170:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.167 K(o=-0.17,f=-2.4!) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.237 USER MOD Single : A 28 CYS SG : rot -90:sc= 0.144 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 32 ASN : amide:sc= -0.0231 K(o=-0.023,f=-1.4!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 MET CE :methyl -139:sc= -0.25 (180deg=-4.25!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 150:sc= -0.166 USER MOD Single : A 46 SER OG : rot 95:sc= 0.0782 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot -15:sc= 0.777 USER MOD Single : A 57 SER OG : rot 180:sc= 0.0154 USER MOD Single : A 59 LYS NZ :NH3+ 151:sc= 0.732 (180deg=-0.328) USER MOD Single : A 63 CYS SG : rot 10:sc= -1.62 USER MOD Single : A 70 LYS NZ :NH3+ -168:sc=-0.00616 (180deg=-0.172) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0969) USER MOD Single : A 73 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0683) USER MOD Single : A 74 HIS : no HD1:sc= -0.486 K(o=-0.49,f=-1.6) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 59:sc= 0.779 USER MOD Single : A 89 GLN : amide:sc= 0.399 K(o=0.4,f=-0.48) USER MOD Single : A 91 LYS NZ :NH3+ -167:sc= 2.35 (180deg=1.86) USER MOD Single : A 96 MET CE :methyl -137:sc=-0.00182 (180deg=-2.36!) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 66:sc= 1.25 USER MOD Single : A 101 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.22) USER MOD Single : A 104 SER OG : rot 68:sc= 1.24 USER MOD Single : A 105 SER OG : rot 74:sc= 0.361 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.135 -12.379 -17.671 1.00 1.74 N ATOM 2 CA MET A 1 -10.305 -12.147 -16.779 1.00 1.02 C ATOM 3 C MET A 1 -9.855 -11.508 -15.458 1.00 0.87 C ATOM 4 O MET A 1 -10.472 -11.731 -14.413 1.00 1.29 O ATOM 5 CB MET A 1 -11.065 -13.460 -16.511 1.00 1.60 C ATOM 6 CG MET A 1 -10.183 -14.526 -15.844 1.00 2.33 C ATOM 7 SD MET A 1 -9.434 -15.649 -17.036 1.00 3.31 S ATOM 8 CE MET A 1 -10.677 -16.949 -17.120 1.00 4.33 C ATOM 0 H1 MET A 1 -9.223 -13.311 -18.124 1.00 1.74 H new ATOM 0 H2 MET A 1 -9.104 -11.640 -18.402 1.00 1.74 H new ATOM 0 H3 MET A 1 -8.260 -12.348 -17.110 1.00 1.74 H new ATOM 0 HA MET A 1 -10.984 -11.460 -17.285 1.00 1.02 H new ATOM 0 HB2 MET A 1 -11.925 -13.254 -15.874 1.00 1.60 H new ATOM 0 HB3 MET A 1 -11.452 -13.850 -17.452 1.00 1.60 H new ATOM 0 HG2 MET A 1 -9.398 -14.035 -15.270 1.00 2.33 H new ATOM 0 HG3 MET A 1 -10.783 -15.099 -15.138 1.00 2.33 H new ATOM 0 HE1 MET A 1 -10.352 -17.718 -17.821 1.00 4.33 H new ATOM 0 HE2 MET A 1 -10.809 -17.390 -16.132 1.00 4.33 H new ATOM 0 HE3 MET A 1 -11.623 -16.526 -17.458 1.00 4.33 H new ATOM 20 N GLU A 2 -8.771 -10.727 -15.512 1.00 0.51 N ATOM 21 CA GLU A 2 -8.210 -10.054 -14.343 1.00 0.37 C ATOM 22 C GLU A 2 -7.670 -8.690 -14.774 1.00 0.34 C ATOM 23 O GLU A 2 -6.630 -8.606 -15.435 1.00 0.48 O ATOM 24 CB GLU A 2 -7.098 -10.941 -13.766 1.00 0.53 C ATOM 25 CG GLU A 2 -6.347 -10.313 -12.596 1.00 0.96 C ATOM 26 CD GLU A 2 -5.122 -11.148 -12.249 1.00 1.61 C ATOM 27 OE1 GLU A 2 -4.419 -11.590 -13.181 1.00 2.16 O ATOM 28 OE2 GLU A 2 -4.860 -11.371 -11.053 1.00 2.09 O ATOM 0 H GLU A 2 -8.258 -10.545 -16.374 1.00 0.51 H new ATOM 0 HA GLU A 2 -8.966 -9.894 -13.574 1.00 0.37 H new ATOM 0 HB2 GLU A 2 -7.533 -11.886 -13.440 1.00 0.53 H new ATOM 0 HB3 GLU A 2 -6.386 -11.175 -14.558 1.00 0.53 H new ATOM 0 HG2 GLU A 2 -6.044 -9.298 -12.852 1.00 0.96 H new ATOM 0 HG3 GLU A 2 -7.004 -10.240 -11.729 1.00 0.96 H new ATOM 35 N GLY A 3 -8.382 -7.626 -14.417 1.00 0.25 N ATOM 36 CA GLY A 3 -7.978 -6.267 -14.784 1.00 0.28 C ATOM 37 C GLY A 3 -8.938 -5.231 -14.213 1.00 0.22 C ATOM 38 O GLY A 3 -9.880 -5.562 -13.484 1.00 0.22 O ATOM 0 H GLY A 3 -9.243 -7.675 -13.873 1.00 0.25 H new ATOM 0 HA2 GLY A 3 -6.970 -6.073 -14.417 1.00 0.28 H new ATOM 0 HA3 GLY A 3 -7.945 -6.176 -15.870 1.00 0.28 H new ATOM 42 N PHE A 4 -8.688 -3.970 -14.553 1.00 0.24 N ATOM 43 CA PHE A 4 -9.509 -2.844 -14.092 1.00 0.21 C ATOM 44 C PHE A 4 -10.764 -2.686 -14.952 1.00 0.22 C ATOM 45 O PHE A 4 -10.768 -3.013 -16.141 1.00 0.27 O ATOM 46 CB PHE A 4 -8.698 -1.547 -14.142 1.00 0.23 C ATOM 47 CG PHE A 4 -7.874 -1.309 -12.900 1.00 0.26 C ATOM 48 CD1 PHE A 4 -8.501 -1.118 -11.679 1.00 0.30 C ATOM 49 CD2 PHE A 4 -6.491 -1.273 -12.978 1.00 0.34 C ATOM 50 CE1 PHE A 4 -7.749 -0.893 -10.543 1.00 0.37 C ATOM 51 CE2 PHE A 4 -5.738 -1.047 -11.839 1.00 0.41 C ATOM 52 CZ PHE A 4 -6.368 -0.856 -10.622 1.00 0.41 C ATOM 0 H PHE A 4 -7.912 -3.695 -15.155 1.00 0.24 H new ATOM 0 HA PHE A 4 -9.812 -3.051 -13.066 1.00 0.21 H new ATOM 0 HB2 PHE A 4 -8.037 -1.573 -15.008 1.00 0.23 H new ATOM 0 HB3 PHE A 4 -9.378 -0.707 -14.285 1.00 0.23 H new ATOM 0 HD1 PHE A 4 -9.579 -1.145 -11.616 1.00 0.30 H new ATOM 0 HD2 PHE A 4 -6.000 -1.421 -13.929 1.00 0.34 H new ATOM 0 HE1 PHE A 4 -8.239 -0.746 -9.592 1.00 0.37 H new ATOM 0 HE2 PHE A 4 -4.660 -1.020 -11.900 1.00 0.41 H new ATOM 0 HZ PHE A 4 -5.781 -0.678 -9.733 1.00 0.41 H new ATOM 62 N LEU A 5 -11.821 -2.169 -14.341 1.00 0.19 N ATOM 63 CA LEU A 5 -13.101 -1.944 -15.014 1.00 0.21 C ATOM 64 C LEU A 5 -13.864 -0.825 -14.303 1.00 0.20 C ATOM 65 O LEU A 5 -13.792 -0.696 -13.080 1.00 0.21 O ATOM 66 CB LEU A 5 -13.949 -3.232 -14.971 1.00 0.23 C ATOM 67 CG LEU A 5 -13.988 -3.971 -16.312 1.00 0.24 C ATOM 68 CD1 LEU A 5 -14.852 -5.226 -16.194 1.00 0.27 C ATOM 69 CD2 LEU A 5 -14.527 -3.072 -17.420 1.00 0.31 C ATOM 0 H LEU A 5 -11.819 -1.891 -13.360 1.00 0.19 H new ATOM 0 HA LEU A 5 -12.912 -1.664 -16.050 1.00 0.21 H new ATOM 0 HB2 LEU A 5 -13.548 -3.898 -14.207 1.00 0.23 H new ATOM 0 HB3 LEU A 5 -14.966 -2.980 -14.672 1.00 0.23 H new ATOM 0 HG LEU A 5 -12.968 -4.257 -16.570 1.00 0.24 H new ATOM 0 HD11 LEU A 5 -14.873 -5.744 -17.153 1.00 0.27 H new ATOM 0 HD12 LEU A 5 -14.433 -5.886 -15.434 1.00 0.27 H new ATOM 0 HD13 LEU A 5 -15.866 -4.944 -15.911 1.00 0.27 H new ATOM 0 HD21 LEU A 5 -14.543 -3.623 -18.360 1.00 0.31 H new ATOM 0 HD22 LEU A 5 -15.538 -2.752 -17.169 1.00 0.31 H new ATOM 0 HD23 LEU A 5 -13.885 -2.197 -17.523 1.00 0.31 H new ATOM 81 N ASN A 6 -14.636 -0.057 -15.059 1.00 0.22 N ATOM 82 CA ASN A 6 -15.466 1.008 -14.492 1.00 0.23 C ATOM 83 C ASN A 6 -16.789 0.363 -14.088 1.00 0.22 C ATOM 84 O ASN A 6 -17.486 -0.184 -14.938 1.00 0.26 O ATOM 85 CB ASN A 6 -15.671 2.138 -15.524 1.00 0.28 C ATOM 86 CG ASN A 6 -15.062 3.451 -15.027 1.00 0.72 C ATOM 87 OD1 ASN A 6 -15.727 4.240 -14.356 1.00 1.49 O ATOM 88 ND2 ASN A 6 -13.804 3.700 -15.368 1.00 1.24 N ATOM 0 H ASN A 6 -14.708 -0.149 -16.072 1.00 0.22 H new ATOM 0 HA ASN A 6 -14.991 1.466 -13.625 1.00 0.23 H new ATOM 0 HB2 ASN A 6 -15.213 1.857 -16.472 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -16.736 2.275 -15.712 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -13.358 4.569 -15.073 1.00 1.24 H new ATOM 0 HD22 ASN A 6 -13.283 3.023 -15.925 1.00 1.24 H new ATOM 95 N ARG A 7 -17.095 0.365 -12.791 1.00 0.23 N ATOM 96 CA ARG A 7 -18.304 -0.282 -12.269 1.00 0.24 C ATOM 97 C ARG A 7 -19.330 0.732 -11.766 1.00 0.25 C ATOM 98 O ARG A 7 -18.996 1.673 -11.036 1.00 0.32 O ATOM 99 CB ARG A 7 -17.911 -1.231 -11.127 1.00 0.28 C ATOM 100 CG ARG A 7 -19.102 -2.055 -10.626 1.00 0.34 C ATOM 101 CD ARG A 7 -18.664 -3.077 -9.573 1.00 0.54 C ATOM 102 NE ARG A 7 -19.836 -3.721 -8.959 1.00 0.95 N ATOM 103 CZ ARG A 7 -19.963 -3.841 -7.638 1.00 1.16 C ATOM 104 NH1 ARG A 7 -19.494 -4.915 -7.025 1.00 1.46 N ATOM 105 NH2 ARG A 7 -20.574 -2.899 -6.935 1.00 1.71 N ATOM 0 H ARG A 7 -16.519 0.810 -12.076 1.00 0.23 H new ATOM 0 HA ARG A 7 -18.769 -0.836 -13.085 1.00 0.24 H new ATOM 0 HB2 ARG A 7 -17.124 -1.903 -11.469 1.00 0.28 H new ATOM 0 HB3 ARG A 7 -17.498 -0.652 -10.301 1.00 0.28 H new ATOM 0 HG2 ARG A 7 -19.854 -1.391 -10.201 1.00 0.34 H new ATOM 0 HG3 ARG A 7 -19.570 -2.571 -11.465 1.00 0.34 H new ATOM 0 HD2 ARG A 7 -18.027 -3.832 -10.034 1.00 0.54 H new ATOM 0 HD3 ARG A 7 -18.069 -2.584 -8.805 1.00 0.54 H new ATOM 0 HE ARG A 7 -20.573 -4.086 -9.562 1.00 0.95 H new ATOM 0 HH11 ARG A 7 -19.036 -5.650 -7.563 1.00 1.46 H new ATOM 0 HH12 ARG A 7 -19.591 -5.008 -6.014 1.00 1.46 H new ATOM 0 HH21 ARG A 7 -20.951 -2.076 -7.405 1.00 1.71 H new ATOM 0 HH22 ARG A 7 -20.668 -2.997 -5.924 1.00 1.71 H new ATOM 119 N LYS A 8 -20.584 0.498 -12.150 1.00 0.27 N ATOM 120 CA LYS A 8 -21.721 1.328 -11.757 1.00 0.29 C ATOM 121 C LYS A 8 -22.853 0.409 -11.307 1.00 0.29 C ATOM 122 O LYS A 8 -23.423 -0.329 -12.112 1.00 0.38 O ATOM 123 CB LYS A 8 -22.174 2.191 -12.940 1.00 0.36 C ATOM 124 CG LYS A 8 -23.145 3.300 -12.516 1.00 0.37 C ATOM 125 CD LYS A 8 -24.249 3.524 -13.562 1.00 0.50 C ATOM 126 CE LYS A 8 -25.624 3.107 -13.033 1.00 0.62 C ATOM 127 NZ LYS A 8 -26.725 3.543 -13.941 1.00 1.02 N ATOM 0 H LYS A 8 -20.842 -0.285 -12.751 1.00 0.27 H new ATOM 0 HA LYS A 8 -21.437 1.992 -10.941 1.00 0.29 H new ATOM 0 HB2 LYS A 8 -21.301 2.638 -13.415 1.00 0.36 H new ATOM 0 HB3 LYS A 8 -22.654 1.557 -13.686 1.00 0.36 H new ATOM 0 HG2 LYS A 8 -23.598 3.040 -11.559 1.00 0.37 H new ATOM 0 HG3 LYS A 8 -22.593 4.228 -12.366 1.00 0.37 H new ATOM 0 HD2 LYS A 8 -24.272 4.576 -13.847 1.00 0.50 H new ATOM 0 HD3 LYS A 8 -24.018 2.955 -14.463 1.00 0.50 H new ATOM 0 HE2 LYS A 8 -25.656 2.024 -12.918 1.00 0.62 H new ATOM 0 HE3 LYS A 8 -25.778 3.537 -12.043 1.00 0.62 H new ATOM 0 HZ1 LYS A 8 -27.196 4.379 -13.539 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -26.332 3.782 -14.874 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -27.416 2.772 -14.044 1.00 1.02 H new ATOM 141 N HIS A 9 -23.166 0.440 -10.020 1.00 0.43 N ATOM 142 CA HIS A 9 -24.227 -0.402 -9.455 1.00 0.52 C ATOM 143 C HIS A 9 -25.583 0.293 -9.552 1.00 0.58 C ATOM 144 O HIS A 9 -25.960 1.057 -8.670 1.00 0.73 O ATOM 145 CB HIS A 9 -23.917 -0.794 -7.992 1.00 0.68 C ATOM 146 CG HIS A 9 -23.312 0.296 -7.134 1.00 0.88 C ATOM 147 ND1 HIS A 9 -22.841 0.062 -5.868 1.00 1.21 N ATOM 148 CD2 HIS A 9 -23.089 1.623 -7.346 1.00 1.22 C ATOM 149 CE1 HIS A 9 -22.356 1.155 -5.332 1.00 1.69 C ATOM 150 NE2 HIS A 9 -22.492 2.136 -6.207 1.00 1.75 N ATOM 0 H HIS A 9 -22.701 1.040 -9.339 1.00 0.43 H new ATOM 0 HA HIS A 9 -24.269 -1.319 -10.043 1.00 0.52 H new ATOM 0 HB2 HIS A 9 -24.841 -1.130 -7.522 1.00 0.68 H new ATOM 0 HB3 HIS A 9 -23.236 -1.645 -8.000 1.00 0.68 H new ATOM 0 HD1 HIS A 9 -22.865 -0.846 -5.403 1.00 1.21 H new ATOM 0 HD2 HIS A 9 -23.334 2.175 -8.241 1.00 1.22 H new ATOM 0 HE1 HIS A 9 -21.921 1.239 -4.347 1.00 1.69 H new ATOM 158 N GLU A 10 -26.318 0.002 -10.632 1.00 0.60 N ATOM 159 CA GLU A 10 -27.651 0.584 -10.857 1.00 0.73 C ATOM 160 C GLU A 10 -28.688 -0.030 -9.922 1.00 0.83 C ATOM 161 O GLU A 10 -29.782 0.513 -9.764 1.00 1.00 O ATOM 162 CB GLU A 10 -28.085 0.382 -12.309 1.00 0.79 C ATOM 163 CG GLU A 10 -29.216 1.345 -12.688 1.00 1.28 C ATOM 164 CD GLU A 10 -29.397 1.384 -14.194 1.00 1.19 C ATOM 165 OE1 GLU A 10 -28.418 1.693 -14.899 1.00 1.52 O ATOM 166 OE2 GLU A 10 -30.517 1.110 -14.675 1.00 1.72 O ATOM 0 H GLU A 10 -26.013 -0.635 -11.368 1.00 0.60 H new ATOM 0 HA GLU A 10 -27.584 1.651 -10.646 1.00 0.73 H new ATOM 0 HB2 GLU A 10 -27.233 0.538 -12.971 1.00 0.79 H new ATOM 0 HB3 GLU A 10 -28.416 -0.647 -12.453 1.00 0.79 H new ATOM 0 HG2 GLU A 10 -30.145 1.030 -12.212 1.00 1.28 H new ATOM 0 HG3 GLU A 10 -28.990 2.345 -12.317 1.00 1.28 H new ATOM 173 N TRP A 11 -28.345 -1.143 -9.293 1.00 0.82 N ATOM 174 CA TRP A 11 -29.252 -1.783 -8.359 1.00 0.96 C ATOM 175 C TRP A 11 -28.559 -2.887 -7.565 1.00 0.94 C ATOM 176 O TRP A 11 -28.068 -3.874 -8.125 1.00 0.84 O ATOM 177 CB TRP A 11 -30.484 -2.354 -9.064 1.00 1.08 C ATOM 178 CG TRP A 11 -31.500 -2.841 -8.073 1.00 1.26 C ATOM 179 CD1 TRP A 11 -32.147 -2.095 -7.127 1.00 1.54 C ATOM 180 CD2 TRP A 11 -31.939 -4.197 -7.892 1.00 1.26 C ATOM 181 NE1 TRP A 11 -32.974 -2.919 -6.419 1.00 1.67 N ATOM 182 CE2 TRP A 11 -32.873 -4.200 -6.856 1.00 1.51 C ATOM 183 CE3 TRP A 11 -31.639 -5.400 -8.519 1.00 1.19 C ATOM 184 CZ2 TRP A 11 -33.503 -5.360 -6.438 1.00 1.62 C ATOM 185 CZ3 TRP A 11 -32.262 -6.565 -8.109 1.00 1.35 C ATOM 186 CH2 TRP A 11 -33.187 -6.546 -7.078 1.00 1.53 C ATOM 0 H TRP A 11 -27.450 -1.618 -9.412 1.00 0.82 H new ATOM 0 HA TRP A 11 -29.577 -1.006 -7.667 1.00 0.96 H new ATOM 0 HB2 TRP A 11 -30.930 -1.589 -9.699 1.00 1.08 H new ATOM 0 HB3 TRP A 11 -30.185 -3.175 -9.716 1.00 1.08 H new ATOM 0 HD1 TRP A 11 -32.025 -1.034 -6.967 1.00 1.54 H new ATOM 0 HE1 TRP A 11 -33.586 -2.613 -5.663 1.00 1.67 H new ATOM 0 HE3 TRP A 11 -30.921 -5.426 -9.325 1.00 1.19 H new ATOM 0 HZ2 TRP A 11 -34.223 -5.340 -5.633 1.00 1.62 H new ATOM 0 HZ3 TRP A 11 -32.025 -7.499 -8.597 1.00 1.35 H new ATOM 0 HH2 TRP A 11 -33.666 -7.464 -6.771 1.00 1.53 H new ATOM 197 N GLU A 12 -28.575 -2.716 -6.251 1.00 1.16 N ATOM 198 CA GLU A 12 -28.007 -3.692 -5.319 1.00 1.26 C ATOM 199 C GLU A 12 -28.841 -3.746 -4.023 1.00 1.56 C ATOM 200 O GLU A 12 -28.507 -4.484 -3.096 1.00 2.03 O ATOM 201 CB GLU A 12 -26.546 -3.346 -5.013 1.00 1.34 C ATOM 202 CG GLU A 12 -26.369 -1.863 -4.670 1.00 1.63 C ATOM 203 CD GLU A 12 -24.928 -1.570 -4.276 1.00 1.81 C ATOM 204 OE1 GLU A 12 -24.008 -2.189 -4.847 1.00 2.05 O ATOM 205 OE2 GLU A 12 -24.711 -0.709 -3.403 1.00 2.09 O ATOM 0 H GLU A 12 -28.981 -1.898 -5.796 1.00 1.16 H new ATOM 0 HA GLU A 12 -28.035 -4.678 -5.783 1.00 1.26 H new ATOM 0 HB2 GLU A 12 -26.196 -3.955 -4.180 1.00 1.34 H new ATOM 0 HB3 GLU A 12 -25.926 -3.596 -5.874 1.00 1.34 H new ATOM 0 HG2 GLU A 12 -26.649 -1.251 -5.527 1.00 1.63 H new ATOM 0 HG3 GLU A 12 -27.037 -1.591 -3.853 1.00 1.63 H new ATOM 212 N ALA A 13 -29.929 -2.965 -3.978 1.00 1.77 N ATOM 213 CA ALA A 13 -30.837 -2.904 -2.827 1.00 2.14 C ATOM 214 C ALA A 13 -32.034 -2.013 -3.178 1.00 2.15 C ATOM 215 O ALA A 13 -31.936 -1.166 -4.073 1.00 2.54 O ATOM 216 CB ALA A 13 -30.119 -2.339 -1.591 1.00 2.70 C ATOM 0 H ALA A 13 -30.205 -2.353 -4.746 1.00 1.77 H new ATOM 0 HA ALA A 13 -31.176 -3.913 -2.594 1.00 2.14 H new ATOM 0 HB1 ALA A 13 -30.813 -2.304 -0.751 1.00 2.70 H new ATOM 0 HB2 ALA A 13 -29.274 -2.979 -1.337 1.00 2.70 H new ATOM 0 HB3 ALA A 13 -29.760 -1.333 -1.807 1.00 2.70 H new ATOM 222 N HIS A 14 -33.155 -2.203 -2.472 1.00 2.38 N ATOM 223 CA HIS A 14 -34.393 -1.418 -2.691 1.00 2.81 C ATOM 224 C HIS A 14 -34.919 -1.630 -4.126 1.00 2.77 C ATOM 225 O HIS A 14 -34.936 -2.757 -4.627 1.00 3.31 O ATOM 226 CB HIS A 14 -34.153 0.091 -2.422 1.00 3.51 C ATOM 227 CG HIS A 14 -33.466 0.397 -1.121 1.00 3.99 C ATOM 228 ND1 HIS A 14 -34.130 0.502 0.071 1.00 4.73 N ATOM 229 CD2 HIS A 14 -32.168 0.661 -0.824 1.00 4.33 C ATOM 230 CE1 HIS A 14 -33.309 0.813 1.044 1.00 5.34 C ATOM 231 NE2 HIS A 14 -32.092 0.917 0.533 1.00 5.13 N ATOM 0 H HIS A 14 -33.238 -2.901 -1.733 1.00 2.38 H new ATOM 0 HA HIS A 14 -35.145 -1.772 -1.986 1.00 2.81 H new ATOM 0 HB2 HIS A 14 -33.556 0.501 -3.237 1.00 3.51 H new ATOM 0 HB3 HIS A 14 -35.113 0.606 -2.440 1.00 3.51 H new ATOM 0 HD2 HIS A 14 -31.343 0.670 -1.521 1.00 4.33 H new ATOM 0 HE1 HIS A 14 -33.578 0.959 2.080 1.00 5.34 H new ATOM 0 HE2 HIS A 14 -31.244 1.147 1.051 1.00 5.13 H new ATOM 239 N ASN A 15 -35.310 -0.537 -4.784 1.00 2.64 N ATOM 240 CA ASN A 15 -35.792 -0.557 -6.170 1.00 2.83 C ATOM 241 C ASN A 15 -35.064 0.567 -6.897 1.00 2.48 C ATOM 242 O ASN A 15 -35.338 1.745 -6.660 1.00 2.96 O ATOM 243 CB ASN A 15 -37.321 -0.372 -6.232 1.00 3.64 C ATOM 244 CG ASN A 15 -37.887 -0.912 -7.552 1.00 4.19 C ATOM 245 OD1 ASN A 15 -37.182 -1.566 -8.327 1.00 4.25 O ATOM 246 ND2 ASN A 15 -39.157 -0.644 -7.811 1.00 4.99 N ATOM 0 H ASN A 15 -35.302 0.395 -4.369 1.00 2.64 H new ATOM 0 HA ASN A 15 -35.587 -1.518 -6.641 1.00 2.83 H new ATOM 0 HB2 ASN A 15 -37.788 -0.889 -5.394 1.00 3.64 H new ATOM 0 HB3 ASN A 15 -37.567 0.685 -6.132 1.00 3.64 H new ATOM 0 HD21 ASN A 15 -39.584 -0.981 -8.674 1.00 4.99 H new ATOM 0 HD22 ASN A 15 -39.709 -0.101 -7.147 1.00 4.99 H new ATOM 253 N LYS A 16 -34.079 0.182 -7.715 1.00 2.30 N ATOM 254 CA LYS A 16 -33.192 1.112 -8.439 1.00 2.46 C ATOM 255 C LYS A 16 -32.246 1.759 -7.422 1.00 2.10 C ATOM 256 O LYS A 16 -32.681 2.443 -6.490 1.00 2.44 O ATOM 257 CB LYS A 16 -33.942 2.183 -9.244 1.00 3.26 C ATOM 258 CG LYS A 16 -34.319 1.674 -10.641 1.00 3.87 C ATOM 259 CD LYS A 16 -33.175 1.892 -11.642 1.00 4.83 C ATOM 260 CE LYS A 16 -33.644 1.694 -13.092 1.00 5.52 C ATOM 261 NZ LYS A 16 -33.025 0.488 -13.711 1.00 6.03 N ATOM 0 H LYS A 16 -33.868 -0.799 -7.899 1.00 2.30 H new ATOM 0 HA LYS A 16 -32.637 0.537 -9.180 1.00 2.46 H new ATOM 0 HB2 LYS A 16 -34.844 2.478 -8.707 1.00 3.26 H new ATOM 0 HB3 LYS A 16 -33.320 3.073 -9.336 1.00 3.26 H new ATOM 0 HG2 LYS A 16 -34.563 0.613 -10.590 1.00 3.87 H new ATOM 0 HG3 LYS A 16 -35.213 2.191 -10.989 1.00 3.87 H new ATOM 0 HD2 LYS A 16 -32.774 2.899 -11.523 1.00 4.83 H new ATOM 0 HD3 LYS A 16 -32.363 1.198 -11.424 1.00 4.83 H new ATOM 0 HE2 LYS A 16 -34.730 1.598 -13.114 1.00 5.52 H new ATOM 0 HE3 LYS A 16 -33.390 2.576 -13.680 1.00 5.52 H new ATOM 0 HZ1 LYS A 16 -33.499 0.279 -14.613 1.00 6.03 H new ATOM 0 HZ2 LYS A 16 -32.015 0.666 -13.884 1.00 6.03 H new ATOM 0 HZ3 LYS A 16 -33.129 -0.324 -13.069 1.00 6.03 H new ATOM 275 N LYS A 17 -30.961 1.511 -7.594 1.00 1.88 N ATOM 276 CA LYS A 17 -29.932 2.023 -6.690 1.00 1.62 C ATOM 277 C LYS A 17 -28.905 2.855 -7.445 1.00 1.62 C ATOM 278 O LYS A 17 -28.615 2.600 -8.610 1.00 2.06 O ATOM 279 CB LYS A 17 -29.248 0.846 -5.961 1.00 1.84 C ATOM 280 CG LYS A 17 -28.859 1.194 -4.517 1.00 2.30 C ATOM 281 CD LYS A 17 -27.398 1.646 -4.414 1.00 2.75 C ATOM 282 CE LYS A 17 -26.893 1.606 -2.967 1.00 3.27 C ATOM 283 NZ LYS A 17 -25.411 1.747 -2.904 1.00 3.75 N ATOM 0 H LYS A 17 -30.595 0.949 -8.363 1.00 1.88 H new ATOM 0 HA LYS A 17 -30.407 2.672 -5.954 1.00 1.62 H new ATOM 0 HB2 LYS A 17 -29.919 -0.013 -5.956 1.00 1.84 H new ATOM 0 HB3 LYS A 17 -28.356 0.550 -6.513 1.00 1.84 H new ATOM 0 HG2 LYS A 17 -29.511 1.984 -4.145 1.00 2.30 H new ATOM 0 HG3 LYS A 17 -29.016 0.325 -3.879 1.00 2.30 H new ATOM 0 HD2 LYS A 17 -26.774 1.004 -5.035 1.00 2.75 H new ATOM 0 HD3 LYS A 17 -27.302 2.659 -4.805 1.00 2.75 H new ATOM 0 HE2 LYS A 17 -27.361 2.407 -2.395 1.00 3.27 H new ATOM 0 HE3 LYS A 17 -27.191 0.666 -2.502 1.00 3.27 H new ATOM 0 HZ1 LYS A 17 -25.155 2.371 -2.112 1.00 3.75 H new ATOM 0 HZ2 LYS A 17 -24.979 0.812 -2.762 1.00 3.75 H new ATOM 0 HZ3 LYS A 17 -25.063 2.157 -3.794 1.00 3.75 H new ATOM 297 N ALA A 18 -28.342 3.844 -6.762 1.00 1.43 N ATOM 298 CA ALA A 18 -27.315 4.708 -7.339 1.00 1.61 C ATOM 299 C ALA A 18 -27.857 5.548 -8.509 1.00 1.86 C ATOM 300 O ALA A 18 -27.311 5.533 -9.615 1.00 2.10 O ATOM 301 CB ALA A 18 -26.135 3.837 -7.778 1.00 1.58 C ATOM 0 H ALA A 18 -28.582 4.071 -5.797 1.00 1.43 H new ATOM 0 HA ALA A 18 -26.985 5.421 -6.583 1.00 1.61 H new ATOM 0 HB1 ALA A 18 -25.359 4.468 -8.211 1.00 1.58 H new ATOM 0 HB2 ALA A 18 -25.732 3.308 -6.914 1.00 1.58 H new ATOM 0 HB3 ALA A 18 -26.473 3.115 -8.521 1.00 1.58 H new ATOM 307 N SER A 19 -28.923 6.301 -8.246 1.00 2.24 N ATOM 308 CA SER A 19 -29.535 7.175 -9.247 1.00 2.71 C ATOM 309 C SER A 19 -28.957 8.583 -9.088 1.00 2.85 C ATOM 310 O SER A 19 -29.690 9.563 -8.940 1.00 3.33 O ATOM 311 CB SER A 19 -31.062 7.191 -9.065 1.00 3.28 C ATOM 312 OG SER A 19 -31.546 5.892 -8.733 1.00 3.62 O ATOM 0 H SER A 19 -29.386 6.323 -7.337 1.00 2.24 H new ATOM 0 HA SER A 19 -29.317 6.807 -10.249 1.00 2.71 H new ATOM 0 HB2 SER A 19 -31.332 7.896 -8.279 1.00 3.28 H new ATOM 0 HB3 SER A 19 -31.538 7.538 -9.982 1.00 3.28 H new ATOM 0 HG SER A 19 -32.519 5.924 -8.620 1.00 3.62 H new ATOM 318 N SER A 20 -27.626 8.660 -9.089 1.00 2.92 N ATOM 319 CA SER A 20 -26.912 9.921 -8.925 1.00 3.46 C ATOM 320 C SER A 20 -25.657 9.923 -9.805 1.00 3.36 C ATOM 321 O SER A 20 -25.643 10.518 -10.885 1.00 3.74 O ATOM 322 CB SER A 20 -26.541 10.124 -7.443 1.00 4.13 C ATOM 323 OG SER A 20 -26.153 8.889 -6.837 1.00 4.31 O ATOM 0 H SER A 20 -27.016 7.851 -9.203 1.00 2.92 H new ATOM 0 HA SER A 20 -27.554 10.745 -9.235 1.00 3.46 H new ATOM 0 HB2 SER A 20 -25.726 10.844 -7.364 1.00 4.13 H new ATOM 0 HB3 SER A 20 -27.391 10.545 -6.906 1.00 4.13 H new ATOM 0 HG SER A 20 -25.921 9.044 -5.898 1.00 4.31 H new ATOM 329 N ARG A 21 -24.612 9.242 -9.332 1.00 3.28 N ATOM 330 CA ARG A 21 -23.333 9.132 -10.046 1.00 3.37 C ATOM 331 C ARG A 21 -22.853 7.678 -9.971 1.00 2.30 C ATOM 332 O ARG A 21 -23.293 6.830 -10.748 1.00 2.78 O ATOM 333 CB ARG A 21 -22.296 10.079 -9.405 1.00 4.44 C ATOM 334 CG ARG A 21 -22.644 11.564 -9.595 1.00 5.18 C ATOM 335 CD ARG A 21 -22.602 12.007 -11.065 1.00 5.89 C ATOM 336 NE ARG A 21 -21.381 11.552 -11.743 1.00 6.25 N ATOM 337 CZ ARG A 21 -20.157 11.839 -11.289 1.00 6.92 C ATOM 338 NH1 ARG A 21 -19.809 13.094 -11.054 1.00 7.43 N ATOM 339 NH2 ARG A 21 -19.297 10.860 -11.067 1.00 7.30 N ATOM 0 H ARG A 21 -24.626 8.748 -8.440 1.00 3.28 H new ATOM 0 HA ARG A 21 -23.458 9.418 -11.090 1.00 3.37 H new ATOM 0 HB2 ARG A 21 -22.223 9.862 -8.339 1.00 4.44 H new ATOM 0 HB3 ARG A 21 -21.315 9.883 -9.838 1.00 4.44 H new ATOM 0 HG2 ARG A 21 -23.639 11.753 -9.193 1.00 5.18 H new ATOM 0 HG3 ARG A 21 -21.947 12.172 -9.018 1.00 5.18 H new ATOM 0 HD2 ARG A 21 -23.474 11.614 -11.587 1.00 5.89 H new ATOM 0 HD3 ARG A 21 -22.662 13.094 -11.118 1.00 5.89 H new ATOM 0 HE ARG A 21 -21.471 10.996 -12.593 1.00 6.25 H new ATOM 0 HH11 ARG A 21 -20.476 13.848 -11.219 1.00 7.43 H new ATOM 0 HH12 ARG A 21 -18.874 13.308 -10.708 1.00 7.43 H new ATOM 0 HH21 ARG A 21 -19.569 9.893 -11.242 1.00 7.30 H new ATOM 0 HH22 ARG A 21 -18.361 11.072 -10.721 1.00 7.30 H new ATOM 353 N SER A 22 -21.989 7.402 -8.994 1.00 1.32 N ATOM 354 CA SER A 22 -21.453 6.069 -8.718 1.00 0.74 C ATOM 355 C SER A 22 -20.775 5.381 -9.918 1.00 0.68 C ATOM 356 O SER A 22 -21.244 4.354 -10.408 1.00 1.69 O ATOM 357 CB SER A 22 -22.561 5.195 -8.175 1.00 1.62 C ATOM 358 OG SER A 22 -23.342 5.893 -7.204 1.00 1.86 O ATOM 0 H SER A 22 -21.634 8.116 -8.358 1.00 1.32 H new ATOM 0 HA SER A 22 -20.659 6.206 -7.984 1.00 0.74 H new ATOM 0 HB2 SER A 22 -23.202 4.866 -8.993 1.00 1.62 H new ATOM 0 HB3 SER A 22 -22.133 4.299 -7.725 1.00 1.62 H new ATOM 0 HG SER A 22 -23.946 5.264 -6.757 1.00 1.86 H new ATOM 364 N TRP A 23 -19.640 5.917 -10.314 1.00 0.69 N ATOM 365 CA TRP A 23 -18.809 5.349 -11.392 1.00 0.41 C ATOM 366 C TRP A 23 -17.375 5.263 -10.857 1.00 0.40 C ATOM 367 O TRP A 23 -16.655 6.264 -10.833 1.00 0.55 O ATOM 368 CB TRP A 23 -18.862 6.211 -12.675 1.00 0.43 C ATOM 369 CG TRP A 23 -19.936 5.780 -13.639 1.00 0.40 C ATOM 370 CD1 TRP A 23 -21.106 6.434 -13.921 1.00 0.45 C ATOM 371 CD2 TRP A 23 -19.931 4.593 -14.460 1.00 0.34 C ATOM 372 NE1 TRP A 23 -21.807 5.707 -14.842 1.00 0.42 N ATOM 373 CE2 TRP A 23 -21.125 4.586 -15.197 1.00 0.36 C ATOM 374 CE3 TRP A 23 -19.037 3.539 -14.635 1.00 0.30 C ATOM 375 CZ2 TRP A 23 -21.434 3.566 -16.086 1.00 0.35 C ATOM 376 CZ3 TRP A 23 -19.337 2.520 -15.525 1.00 0.29 C ATOM 377 CH2 TRP A 23 -20.525 2.531 -16.245 1.00 0.31 C ATOM 0 H TRP A 23 -19.252 6.766 -9.903 1.00 0.69 H new ATOM 0 HA TRP A 23 -19.184 4.364 -11.670 1.00 0.41 H new ATOM 0 HB2 TRP A 23 -19.029 7.252 -12.398 1.00 0.43 H new ATOM 0 HB3 TRP A 23 -17.895 6.165 -13.175 1.00 0.43 H new ATOM 0 HD1 TRP A 23 -21.423 7.371 -13.487 1.00 0.45 H new ATOM 0 HE1 TRP A 23 -22.720 5.970 -15.213 1.00 0.42 H new ATOM 0 HE3 TRP A 23 -18.112 3.516 -14.078 1.00 0.30 H new ATOM 0 HZ2 TRP A 23 -22.361 3.578 -16.641 1.00 0.35 H new ATOM 0 HZ3 TRP A 23 -18.639 1.707 -15.661 1.00 0.29 H new ATOM 0 HH2 TRP A 23 -20.742 1.728 -16.933 1.00 0.31 H new ATOM 388 N HIS A 24 -16.986 4.074 -10.382 1.00 0.37 N ATOM 389 CA HIS A 24 -15.655 3.856 -9.792 1.00 0.45 C ATOM 390 C HIS A 24 -14.852 2.818 -10.586 1.00 0.36 C ATOM 391 O HIS A 24 -15.397 1.815 -11.055 1.00 0.34 O ATOM 392 CB HIS A 24 -15.835 3.386 -8.334 1.00 0.61 C ATOM 393 CG HIS A 24 -14.550 3.232 -7.565 1.00 1.18 C ATOM 394 ND1 HIS A 24 -13.968 4.245 -6.843 1.00 2.08 N ATOM 395 CD2 HIS A 24 -13.726 2.167 -7.395 1.00 1.66 C ATOM 396 CE1 HIS A 24 -12.862 3.837 -6.266 1.00 2.98 C ATOM 397 NE2 HIS A 24 -12.680 2.564 -6.582 1.00 2.74 N ATOM 0 H HIS A 24 -17.576 3.242 -10.394 1.00 0.37 H new ATOM 0 HA HIS A 24 -15.097 4.792 -9.822 1.00 0.45 H new ATOM 0 HB2 HIS A 24 -16.473 4.099 -7.812 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -16.360 2.431 -8.336 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -14.345 5.189 -6.765 1.00 2.08 H new ATOM 0 HD2 HIS A 24 -13.863 1.183 -7.820 1.00 1.66 H new ATOM 0 HE1 HIS A 24 -12.214 4.435 -5.643 1.00 2.98 H new ATOM 405 N ASN A 25 -13.542 3.057 -10.689 1.00 0.37 N ATOM 406 CA ASN A 25 -12.616 2.151 -11.378 1.00 0.35 C ATOM 407 C ASN A 25 -12.206 1.040 -10.401 1.00 0.34 C ATOM 408 O ASN A 25 -11.330 1.233 -9.553 1.00 0.55 O ATOM 409 CB ASN A 25 -11.381 2.937 -11.869 1.00 0.44 C ATOM 410 CG ASN A 25 -10.748 2.263 -13.089 1.00 0.99 C ATOM 411 OD1 ASN A 25 -10.103 1.221 -12.975 1.00 1.71 O ATOM 412 ND2 ASN A 25 -10.922 2.859 -14.261 1.00 1.49 N ATOM 0 H ASN A 25 -13.092 3.884 -10.297 1.00 0.37 H new ATOM 0 HA ASN A 25 -13.098 1.706 -12.249 1.00 0.35 H new ATOM 0 HB2 ASN A 25 -11.672 3.956 -12.123 1.00 0.44 H new ATOM 0 HB3 ASN A 25 -10.647 3.006 -11.066 1.00 0.44 H new ATOM 0 HD21 ASN A 25 -10.515 2.454 -15.104 1.00 1.49 H new ATOM 0 HD22 ASN A 25 -11.463 3.722 -14.319 1.00 1.49 H new ATOM 419 N VAL A 26 -12.877 -0.104 -10.503 1.00 0.22 N ATOM 420 CA VAL A 26 -12.636 -1.252 -9.624 1.00 0.21 C ATOM 421 C VAL A 26 -11.908 -2.374 -10.372 1.00 0.18 C ATOM 422 O VAL A 26 -12.004 -2.489 -11.597 1.00 0.23 O ATOM 423 CB VAL A 26 -13.989 -1.743 -9.070 1.00 0.25 C ATOM 424 CG1 VAL A 26 -14.797 -2.508 -10.126 1.00 0.31 C ATOM 425 CG2 VAL A 26 -13.801 -2.599 -7.820 1.00 0.31 C ATOM 0 H VAL A 26 -13.606 -0.265 -11.198 1.00 0.22 H new ATOM 0 HA VAL A 26 -11.993 -0.949 -8.798 1.00 0.21 H new ATOM 0 HB VAL A 26 -14.557 -0.854 -8.796 1.00 0.25 H new ATOM 0 HG11 VAL A 26 -15.742 -2.836 -9.694 1.00 0.31 H new ATOM 0 HG12 VAL A 26 -14.994 -1.856 -10.977 1.00 0.31 H new ATOM 0 HG13 VAL A 26 -14.230 -3.377 -10.459 1.00 0.31 H new ATOM 0 HG21 VAL A 26 -14.774 -2.929 -7.455 1.00 0.31 H new ATOM 0 HG22 VAL A 26 -13.191 -3.469 -8.063 1.00 0.31 H new ATOM 0 HG23 VAL A 26 -13.304 -2.011 -7.048 1.00 0.31 H new ATOM 435 N TYR A 27 -11.192 -3.209 -9.623 1.00 0.16 N ATOM 436 CA TYR A 27 -10.452 -4.343 -10.186 1.00 0.16 C ATOM 437 C TYR A 27 -11.313 -5.600 -10.071 1.00 0.19 C ATOM 438 O TYR A 27 -11.740 -5.960 -8.973 1.00 0.34 O ATOM 439 CB TYR A 27 -9.128 -4.519 -9.425 1.00 0.17 C ATOM 440 CG TYR A 27 -8.052 -5.229 -10.224 1.00 0.18 C ATOM 441 CD1 TYR A 27 -8.133 -6.594 -10.457 1.00 0.26 C ATOM 442 CD2 TYR A 27 -6.971 -4.516 -10.714 1.00 0.28 C ATOM 443 CE1 TYR A 27 -7.140 -7.238 -11.176 1.00 0.30 C ATOM 444 CE2 TYR A 27 -5.976 -5.159 -11.426 1.00 0.33 C ATOM 445 CZ TYR A 27 -6.063 -6.516 -11.657 1.00 0.29 C ATOM 446 OH TYR A 27 -5.066 -7.155 -12.357 1.00 0.37 O ATOM 0 H TYR A 27 -11.106 -3.122 -8.610 1.00 0.16 H new ATOM 0 HA TYR A 27 -10.224 -4.163 -11.237 1.00 0.16 H new ATOM 0 HB2 TYR A 27 -8.758 -3.538 -9.127 1.00 0.17 H new ATOM 0 HB3 TYR A 27 -9.318 -5.080 -8.510 1.00 0.17 H new ATOM 0 HD1 TYR A 27 -8.973 -7.156 -10.077 1.00 0.26 H new ATOM 0 HD2 TYR A 27 -6.905 -3.452 -10.539 1.00 0.28 H new ATOM 0 HE1 TYR A 27 -7.206 -8.300 -11.360 1.00 0.30 H new ATOM 0 HE2 TYR A 27 -5.132 -4.600 -11.801 1.00 0.33 H new ATOM 0 HH TYR A 27 -4.385 -6.503 -12.625 1.00 0.37 H new ATOM 456 N CYS A 28 -11.581 -6.253 -11.198 1.00 0.16 N ATOM 457 CA CYS A 28 -12.415 -7.459 -11.226 1.00 0.19 C ATOM 458 C CYS A 28 -11.584 -8.688 -11.608 1.00 0.19 C ATOM 459 O CYS A 28 -10.805 -8.646 -12.562 1.00 0.23 O ATOM 460 CB CYS A 28 -13.560 -7.272 -12.229 1.00 0.23 C ATOM 461 SG CYS A 28 -14.419 -5.698 -12.030 1.00 0.34 S ATOM 0 H CYS A 28 -11.231 -5.967 -12.113 1.00 0.16 H new ATOM 0 HA CYS A 28 -12.826 -7.619 -10.229 1.00 0.19 H new ATOM 0 HB2 CYS A 28 -13.163 -7.338 -13.242 1.00 0.23 H new ATOM 0 HB3 CYS A 28 -14.274 -8.087 -12.113 1.00 0.23 H new ATOM 0 HG CYS A 28 -15.404 -5.844 -11.194 1.00 0.34 H new ATOM 467 N VAL A 29 -11.765 -9.778 -10.860 1.00 0.21 N ATOM 468 CA VAL A 29 -11.056 -11.042 -11.103 1.00 0.24 C ATOM 469 C VAL A 29 -12.061 -12.194 -11.068 1.00 0.26 C ATOM 470 O VAL A 29 -12.673 -12.449 -10.031 1.00 0.38 O ATOM 471 CB VAL A 29 -9.967 -11.262 -10.039 1.00 0.29 C ATOM 472 CG1 VAL A 29 -9.173 -12.543 -10.329 1.00 0.37 C ATOM 473 CG2 VAL A 29 -9.024 -10.061 -9.968 1.00 0.33 C ATOM 0 H VAL A 29 -12.407 -9.812 -10.068 1.00 0.21 H new ATOM 0 HA VAL A 29 -10.576 -11.002 -12.081 1.00 0.24 H new ATOM 0 HB VAL A 29 -10.461 -11.371 -9.073 1.00 0.29 H new ATOM 0 HG11 VAL A 29 -8.409 -12.678 -9.564 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -9.848 -13.399 -10.323 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -8.698 -12.463 -11.307 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -8.263 -10.240 -9.209 1.00 0.33 H new ATOM 0 HG22 VAL A 29 -8.544 -9.918 -10.936 1.00 0.33 H new ATOM 0 HG23 VAL A 29 -9.592 -9.167 -9.709 1.00 0.33 H new ATOM 483 N ILE A 30 -12.228 -12.886 -12.198 1.00 0.28 N ATOM 484 CA ILE A 30 -13.165 -14.015 -12.289 1.00 0.32 C ATOM 485 C ILE A 30 -12.452 -15.317 -11.933 1.00 0.35 C ATOM 486 O ILE A 30 -11.417 -15.649 -12.517 1.00 0.44 O ATOM 487 CB ILE A 30 -13.772 -14.126 -13.699 1.00 0.40 C ATOM 488 CG1 ILE A 30 -14.141 -12.746 -14.255 1.00 0.47 C ATOM 489 CG2 ILE A 30 -15.009 -15.030 -13.670 1.00 0.50 C ATOM 490 CD1 ILE A 30 -14.764 -12.852 -15.647 1.00 0.57 C ATOM 0 H ILE A 30 -11.728 -12.686 -13.064 1.00 0.28 H new ATOM 0 HA ILE A 30 -13.974 -13.836 -11.581 1.00 0.32 H new ATOM 0 HB ILE A 30 -13.021 -14.565 -14.356 1.00 0.40 H new ATOM 0 HG12 ILE A 30 -14.840 -12.255 -13.578 1.00 0.47 H new ATOM 0 HG13 ILE A 30 -13.249 -12.121 -14.301 1.00 0.47 H new ATOM 0 HG21 ILE A 30 -15.431 -15.102 -14.673 1.00 0.50 H new ATOM 0 HG22 ILE A 30 -14.725 -16.024 -13.324 1.00 0.50 H new ATOM 0 HG23 ILE A 30 -15.752 -14.608 -12.993 1.00 0.50 H new ATOM 0 HD11 ILE A 30 -15.013 -11.855 -16.011 1.00 0.57 H new ATOM 0 HD12 ILE A 30 -14.054 -13.320 -16.329 1.00 0.57 H new ATOM 0 HD13 ILE A 30 -15.670 -13.456 -15.595 1.00 0.57 H new ATOM 502 N ASN A 31 -13.019 -16.048 -10.982 1.00 0.46 N ATOM 503 CA ASN A 31 -12.474 -17.328 -10.528 1.00 0.58 C ATOM 504 C ASN A 31 -13.467 -18.447 -10.857 1.00 0.71 C ATOM 505 O ASN A 31 -14.030 -19.086 -9.959 1.00 1.20 O ATOM 506 CB ASN A 31 -12.178 -17.282 -9.014 1.00 0.73 C ATOM 507 CG ASN A 31 -11.295 -18.465 -8.597 1.00 0.93 C ATOM 508 OD1 ASN A 31 -10.183 -18.628 -9.103 1.00 1.27 O ATOM 509 ND2 ASN A 31 -11.784 -19.295 -7.687 1.00 1.47 N ATOM 0 H ASN A 31 -13.874 -15.771 -10.499 1.00 0.46 H new ATOM 0 HA ASN A 31 -11.535 -17.525 -11.045 1.00 0.58 H new ATOM 0 HB2 ASN A 31 -11.681 -16.345 -8.764 1.00 0.73 H new ATOM 0 HB3 ASN A 31 -13.113 -17.305 -8.455 1.00 0.73 H new ATOM 0 HD21 ASN A 31 -11.236 -20.100 -7.384 1.00 1.47 H new ATOM 0 HD22 ASN A 31 -12.709 -19.129 -7.290 1.00 1.47 H new ATOM 516 N ASN A 32 -13.660 -18.673 -12.161 1.00 0.85 N ATOM 517 CA ASN A 32 -14.551 -19.718 -12.692 1.00 1.00 C ATOM 518 C ASN A 32 -16.030 -19.476 -12.352 1.00 1.00 C ATOM 519 O ASN A 32 -16.830 -19.170 -13.233 1.00 1.97 O ATOM 520 CB ASN A 32 -14.100 -21.105 -12.188 1.00 1.24 C ATOM 521 CG ASN A 32 -14.690 -22.228 -13.049 1.00 1.73 C ATOM 522 OD1 ASN A 32 -15.016 -22.030 -14.219 1.00 2.06 O ATOM 523 ND2 ASN A 32 -14.834 -23.407 -12.467 1.00 2.52 N ATOM 0 H ASN A 32 -13.197 -18.130 -12.889 1.00 0.85 H new ATOM 0 HA ASN A 32 -14.473 -19.680 -13.779 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -13.012 -21.164 -12.205 1.00 1.24 H new ATOM 0 HB3 ASN A 32 -14.411 -21.237 -11.152 1.00 1.24 H new ATOM 0 HD21 ASN A 32 -15.227 -24.190 -12.990 1.00 2.52 H new ATOM 0 HD22 ASN A 32 -14.552 -23.534 -11.495 1.00 2.52 H new ATOM 530 N GLN A 33 -16.390 -19.653 -11.083 1.00 0.75 N ATOM 531 CA GLN A 33 -17.777 -19.498 -10.628 1.00 0.67 C ATOM 532 C GLN A 33 -17.985 -18.209 -9.823 1.00 0.56 C ATOM 533 O GLN A 33 -19.133 -17.725 -9.734 1.00 0.71 O ATOM 534 CB GLN A 33 -18.170 -20.699 -9.757 1.00 0.83 C ATOM 535 CG GLN A 33 -17.989 -22.032 -10.496 1.00 1.46 C ATOM 536 CD GLN A 33 -18.481 -23.189 -9.628 1.00 1.85 C ATOM 537 OE1 GLN A 33 -17.704 -23.805 -8.897 1.00 2.11 O ATOM 538 NE2 GLN A 33 -19.770 -23.484 -9.699 1.00 2.67 N ATOM 0 H GLN A 33 -15.736 -19.906 -10.342 1.00 0.75 H new ATOM 0 HA GLN A 33 -18.406 -19.444 -11.517 1.00 0.67 H new ATOM 0 HB2 GLN A 33 -17.565 -20.702 -8.851 1.00 0.83 H new ATOM 0 HB3 GLN A 33 -19.209 -20.596 -9.446 1.00 0.83 H new ATOM 0 HG2 GLN A 33 -18.541 -22.013 -11.436 1.00 1.46 H new ATOM 0 HG3 GLN A 33 -16.938 -22.177 -10.746 1.00 1.46 H new ATOM 0 HE21 GLN A 33 -20.382 -22.951 -10.317 1.00 2.67 H new ATOM 0 HE22 GLN A 33 -20.151 -24.245 -9.136 1.00 2.67 H new ATOM 547 N GLU A 34 -16.909 -17.675 -9.208 1.00 0.53 N ATOM 548 CA GLU A 34 -17.008 -16.478 -8.387 1.00 0.49 C ATOM 549 C GLU A 34 -16.094 -15.376 -8.911 1.00 0.45 C ATOM 550 O GLU A 34 -14.934 -15.627 -9.216 1.00 0.64 O ATOM 551 CB GLU A 34 -16.595 -16.841 -6.962 1.00 0.61 C ATOM 552 CG GLU A 34 -17.799 -17.202 -6.091 1.00 1.25 C ATOM 553 CD GLU A 34 -17.397 -18.224 -5.038 1.00 1.42 C ATOM 554 OE1 GLU A 34 -16.346 -18.041 -4.396 1.00 1.89 O ATOM 555 OE2 GLU A 34 -18.143 -19.201 -4.840 1.00 1.79 O ATOM 0 H GLU A 34 -15.968 -18.063 -9.272 1.00 0.53 H new ATOM 0 HA GLU A 34 -18.033 -16.109 -8.414 1.00 0.49 H new ATOM 0 HB2 GLU A 34 -15.902 -17.682 -6.989 1.00 0.61 H new ATOM 0 HB3 GLU A 34 -16.062 -16.002 -6.514 1.00 0.61 H new ATOM 0 HG2 GLU A 34 -18.190 -16.306 -5.608 1.00 1.25 H new ATOM 0 HG3 GLU A 34 -18.599 -17.604 -6.712 1.00 1.25 H new ATOM 562 N MET A 35 -16.610 -14.150 -8.960 1.00 0.36 N ATOM 563 CA MET A 35 -15.838 -12.988 -9.387 1.00 0.35 C ATOM 564 C MET A 35 -15.579 -12.114 -8.161 1.00 0.32 C ATOM 565 O MET A 35 -16.481 -11.892 -7.350 1.00 0.42 O ATOM 566 CB MET A 35 -16.581 -12.210 -10.486 1.00 0.41 C ATOM 567 CG MET A 35 -17.808 -11.453 -9.957 1.00 0.43 C ATOM 568 SD MET A 35 -18.775 -10.692 -11.278 1.00 0.60 S ATOM 569 CE MET A 35 -17.579 -9.546 -11.987 1.00 1.25 C ATOM 0 H MET A 35 -17.574 -13.935 -8.705 1.00 0.36 H new ATOM 0 HA MET A 35 -14.888 -13.305 -9.816 1.00 0.35 H new ATOM 0 HB2 MET A 35 -15.895 -11.501 -10.949 1.00 0.41 H new ATOM 0 HB3 MET A 35 -16.897 -12.904 -11.265 1.00 0.41 H new ATOM 0 HG2 MET A 35 -18.442 -12.141 -9.398 1.00 0.43 H new ATOM 0 HG3 MET A 35 -17.482 -10.682 -9.259 1.00 0.43 H new ATOM 0 HE1 MET A 35 -18.073 -8.603 -12.220 1.00 1.25 H new ATOM 0 HE2 MET A 35 -16.777 -9.368 -11.271 1.00 1.25 H new ATOM 0 HE3 MET A 35 -17.163 -9.973 -12.900 1.00 1.25 H new ATOM 579 N GLY A 36 -14.343 -11.657 -8.007 1.00 0.27 N ATOM 580 CA GLY A 36 -13.953 -10.840 -6.860 1.00 0.29 C ATOM 581 C GLY A 36 -13.707 -9.390 -7.259 1.00 0.25 C ATOM 582 O GLY A 36 -12.920 -9.113 -8.171 1.00 0.28 O ATOM 0 H GLY A 36 -13.586 -11.839 -8.666 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -14.734 -10.881 -6.101 1.00 0.29 H new ATOM 0 HA3 GLY A 36 -13.050 -11.252 -6.410 1.00 0.29 H new ATOM 586 N PHE A 37 -14.366 -8.469 -6.551 1.00 0.24 N ATOM 587 CA PHE A 37 -14.218 -7.028 -6.785 1.00 0.25 C ATOM 588 C PHE A 37 -13.204 -6.473 -5.781 1.00 0.25 C ATOM 589 O PHE A 37 -13.486 -6.405 -4.583 1.00 0.40 O ATOM 590 CB PHE A 37 -15.570 -6.320 -6.611 1.00 0.30 C ATOM 591 CG PHE A 37 -16.596 -6.720 -7.653 1.00 0.28 C ATOM 592 CD1 PHE A 37 -16.365 -6.459 -8.997 1.00 0.39 C ATOM 593 CD2 PHE A 37 -17.771 -7.349 -7.266 1.00 0.43 C ATOM 594 CE1 PHE A 37 -17.307 -6.826 -9.947 1.00 0.41 C ATOM 595 CE2 PHE A 37 -18.708 -7.715 -8.216 1.00 0.45 C ATOM 596 CZ PHE A 37 -18.471 -7.449 -9.563 1.00 0.33 C ATOM 0 H PHE A 37 -15.017 -8.700 -5.800 1.00 0.24 H new ATOM 0 HA PHE A 37 -13.869 -6.854 -7.803 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -15.964 -6.543 -5.619 1.00 0.30 H new ATOM 0 HB3 PHE A 37 -15.416 -5.242 -6.658 1.00 0.30 H new ATOM 0 HD1 PHE A 37 -15.452 -5.970 -9.303 1.00 0.39 H new ATOM 0 HD2 PHE A 37 -17.954 -7.553 -6.221 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -17.125 -6.622 -10.992 1.00 0.41 H new ATOM 0 HE2 PHE A 37 -19.621 -8.206 -7.914 1.00 0.45 H new ATOM 0 HZ PHE A 37 -19.202 -7.732 -10.306 1.00 0.33 H new ATOM 606 N TYR A 38 -12.019 -6.108 -6.269 1.00 0.20 N ATOM 607 CA TYR A 38 -10.939 -5.589 -5.416 1.00 0.21 C ATOM 608 C TYR A 38 -10.584 -4.139 -5.773 1.00 0.21 C ATOM 609 O TYR A 38 -11.095 -3.574 -6.743 1.00 0.23 O ATOM 610 CB TYR A 38 -9.703 -6.481 -5.563 1.00 0.23 C ATOM 611 CG TYR A 38 -9.986 -7.939 -5.277 1.00 0.27 C ATOM 612 CD1 TYR A 38 -10.021 -8.393 -3.971 1.00 0.42 C ATOM 613 CD2 TYR A 38 -10.213 -8.824 -6.319 1.00 0.27 C ATOM 614 CE1 TYR A 38 -10.280 -9.723 -3.705 1.00 0.50 C ATOM 615 CE2 TYR A 38 -10.473 -10.156 -6.052 1.00 0.35 C ATOM 616 CZ TYR A 38 -10.506 -10.598 -4.746 1.00 0.44 C ATOM 617 OH TYR A 38 -10.755 -11.922 -4.483 1.00 0.55 O ATOM 0 H TYR A 38 -11.777 -6.161 -7.258 1.00 0.20 H new ATOM 0 HA TYR A 38 -11.285 -5.600 -4.382 1.00 0.21 H new ATOM 0 HB2 TYR A 38 -9.311 -6.385 -6.576 1.00 0.23 H new ATOM 0 HB3 TYR A 38 -8.925 -6.128 -4.886 1.00 0.23 H new ATOM 0 HD1 TYR A 38 -9.845 -7.705 -3.157 1.00 0.42 H new ATOM 0 HD2 TYR A 38 -10.187 -8.473 -7.340 1.00 0.27 H new ATOM 0 HE1 TYR A 38 -10.305 -10.077 -2.685 1.00 0.50 H new ATOM 0 HE2 TYR A 38 -10.649 -10.847 -6.863 1.00 0.35 H new ATOM 0 HH TYR A 38 -10.894 -12.402 -5.326 1.00 0.55 H new ATOM 627 N LYS A 39 -9.699 -3.545 -4.966 1.00 0.25 N ATOM 628 CA LYS A 39 -9.255 -2.154 -5.155 1.00 0.29 C ATOM 629 C LYS A 39 -8.330 -2.010 -6.375 1.00 0.28 C ATOM 630 O LYS A 39 -8.544 -1.144 -7.222 1.00 0.33 O ATOM 631 CB LYS A 39 -8.525 -1.672 -3.887 1.00 0.36 C ATOM 632 CG LYS A 39 -8.558 -0.145 -3.749 1.00 0.70 C ATOM 633 CD LYS A 39 -7.274 0.392 -3.104 1.00 1.15 C ATOM 634 CE LYS A 39 -6.311 0.936 -4.161 1.00 1.82 C ATOM 635 NZ LYS A 39 -4.981 1.291 -3.580 1.00 2.51 N ATOM 0 H LYS A 39 -9.270 -4.010 -4.166 1.00 0.25 H new ATOM 0 HA LYS A 39 -10.138 -1.540 -5.335 1.00 0.29 H new ATOM 0 HB2 LYS A 39 -8.986 -2.125 -3.009 1.00 0.36 H new ATOM 0 HB3 LYS A 39 -7.489 -2.011 -3.914 1.00 0.36 H new ATOM 0 HG2 LYS A 39 -8.688 0.307 -4.732 1.00 0.70 H new ATOM 0 HG3 LYS A 39 -9.418 0.148 -3.147 1.00 0.70 H new ATOM 0 HD2 LYS A 39 -7.523 1.181 -2.394 1.00 1.15 H new ATOM 0 HD3 LYS A 39 -6.787 -0.403 -2.539 1.00 1.15 H new ATOM 0 HE2 LYS A 39 -6.176 0.191 -4.946 1.00 1.82 H new ATOM 0 HE3 LYS A 39 -6.748 1.818 -4.630 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 -4.360 1.655 -4.331 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -5.105 2.020 -2.849 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -4.551 0.445 -3.155 1.00 2.51 H new ATOM 649 N ASP A 40 -7.293 -2.847 -6.437 1.00 0.28 N ATOM 650 CA ASP A 40 -6.306 -2.816 -7.525 1.00 0.32 C ATOM 651 C ASP A 40 -5.618 -4.181 -7.657 1.00 0.33 C ATOM 652 O ASP A 40 -6.087 -5.177 -7.102 1.00 0.32 O ATOM 653 CB ASP A 40 -5.259 -1.708 -7.261 1.00 0.38 C ATOM 654 CG ASP A 40 -4.352 -2.037 -6.066 1.00 0.57 C ATOM 655 OD1 ASP A 40 -4.831 -2.675 -5.110 1.00 0.84 O ATOM 656 OD2 ASP A 40 -3.164 -1.646 -6.079 1.00 0.94 O ATOM 0 H ASP A 40 -7.111 -3.566 -5.737 1.00 0.28 H new ATOM 0 HA ASP A 40 -6.820 -2.595 -8.460 1.00 0.32 H new ATOM 0 HB2 ASP A 40 -4.647 -1.570 -8.152 1.00 0.38 H new ATOM 0 HB3 ASP A 40 -5.771 -0.764 -7.077 1.00 0.38 H new ATOM 661 N ALA A 41 -4.490 -4.212 -8.377 1.00 0.40 N ATOM 662 CA ALA A 41 -3.703 -5.439 -8.580 1.00 0.45 C ATOM 663 C ALA A 41 -3.161 -5.971 -7.245 1.00 0.45 C ATOM 664 O ALA A 41 -3.107 -7.183 -7.027 1.00 0.47 O ATOM 665 CB ALA A 41 -2.543 -5.165 -9.543 1.00 0.55 C ATOM 0 H ALA A 41 -4.096 -3.390 -8.835 1.00 0.40 H new ATOM 0 HA ALA A 41 -4.357 -6.197 -9.011 1.00 0.45 H new ATOM 0 HB1 ALA A 41 -1.966 -6.079 -9.687 1.00 0.55 H new ATOM 0 HB2 ALA A 41 -2.938 -4.830 -10.502 1.00 0.55 H new ATOM 0 HB3 ALA A 41 -1.899 -4.391 -9.126 1.00 0.55 H new ATOM 671 N LYS A 42 -2.785 -5.058 -6.342 1.00 0.46 N ATOM 672 CA LYS A 42 -2.275 -5.433 -5.016 1.00 0.48 C ATOM 673 C LYS A 42 -3.402 -6.058 -4.191 1.00 0.43 C ATOM 674 O LYS A 42 -3.233 -7.113 -3.574 1.00 0.47 O ATOM 675 CB LYS A 42 -1.715 -4.202 -4.290 1.00 0.54 C ATOM 676 CG LYS A 42 -0.586 -3.527 -5.077 1.00 0.77 C ATOM 677 CD LYS A 42 -0.004 -2.347 -4.291 1.00 1.12 C ATOM 678 CE LYS A 42 0.708 -1.342 -5.203 1.00 1.96 C ATOM 679 NZ LYS A 42 2.088 -1.787 -5.548 1.00 2.76 N ATOM 0 H LYS A 42 -2.824 -4.052 -6.505 1.00 0.46 H new ATOM 0 HA LYS A 42 -1.471 -6.159 -5.139 1.00 0.48 H new ATOM 0 HB2 LYS A 42 -2.518 -3.484 -4.123 1.00 0.54 H new ATOM 0 HB3 LYS A 42 -1.344 -4.499 -3.309 1.00 0.54 H new ATOM 0 HG2 LYS A 42 0.200 -4.252 -5.288 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -0.965 -3.178 -6.038 1.00 0.77 H new ATOM 0 HD2 LYS A 42 -0.805 -1.842 -3.751 1.00 1.12 H new ATOM 0 HD3 LYS A 42 0.698 -2.720 -3.545 1.00 1.12 H new ATOM 0 HE2 LYS A 42 0.130 -1.209 -6.117 1.00 1.96 H new ATOM 0 HE3 LYS A 42 0.752 -0.371 -4.709 1.00 1.96 H new ATOM 0 HZ1 LYS A 42 2.536 -1.081 -6.166 1.00 2.76 H new ATOM 0 HZ2 LYS A 42 2.647 -1.890 -4.677 1.00 2.76 H new ATOM 0 HZ3 LYS A 42 2.045 -2.701 -6.042 1.00 2.76 H new ATOM 693 N SER A 43 -4.560 -5.400 -4.211 1.00 0.38 N ATOM 694 CA SER A 43 -5.754 -5.862 -3.499 1.00 0.38 C ATOM 695 C SER A 43 -6.247 -7.199 -4.080 1.00 0.39 C ATOM 696 O SER A 43 -6.658 -8.091 -3.337 1.00 0.45 O ATOM 697 CB SER A 43 -6.846 -4.789 -3.622 1.00 0.37 C ATOM 698 OG SER A 43 -7.827 -4.918 -2.605 1.00 1.04 O ATOM 0 H SER A 43 -4.699 -4.529 -4.723 1.00 0.38 H new ATOM 0 HA SER A 43 -5.513 -6.024 -2.448 1.00 0.38 H new ATOM 0 HB2 SER A 43 -6.392 -3.800 -3.566 1.00 0.37 H new ATOM 0 HB3 SER A 43 -7.323 -4.866 -4.599 1.00 0.37 H new ATOM 0 HG SER A 43 -8.198 -4.036 -2.395 1.00 1.04 H new ATOM 704 N ALA A 44 -6.196 -7.324 -5.412 1.00 0.37 N ATOM 705 CA ALA A 44 -6.634 -8.536 -6.118 1.00 0.43 C ATOM 706 C ALA A 44 -5.692 -9.714 -5.848 1.00 0.51 C ATOM 707 O ALA A 44 -6.144 -10.804 -5.497 1.00 0.59 O ATOM 708 CB ALA A 44 -6.712 -8.265 -7.626 1.00 0.43 C ATOM 0 H ALA A 44 -5.851 -6.590 -6.030 1.00 0.37 H new ATOM 0 HA ALA A 44 -7.622 -8.803 -5.744 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -7.037 -9.168 -8.142 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.425 -7.463 -7.815 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -5.729 -7.971 -7.994 1.00 0.43 H new ATOM 714 N ALA A 45 -4.386 -9.488 -6.015 1.00 0.54 N ATOM 715 CA ALA A 45 -3.369 -10.528 -5.797 1.00 0.64 C ATOM 716 C ALA A 45 -3.408 -11.055 -4.358 1.00 0.68 C ATOM 717 O ALA A 45 -3.523 -12.261 -4.132 1.00 0.76 O ATOM 718 CB ALA A 45 -1.979 -9.970 -6.115 1.00 0.69 C ATOM 0 H ALA A 45 -4.003 -8.587 -6.303 1.00 0.54 H new ATOM 0 HA ALA A 45 -3.588 -11.361 -6.465 1.00 0.64 H new ATOM 0 HB1 ALA A 45 -1.230 -10.745 -5.952 1.00 0.69 H new ATOM 0 HB2 ALA A 45 -1.946 -9.647 -7.155 1.00 0.69 H new ATOM 0 HB3 ALA A 45 -1.770 -9.121 -5.464 1.00 0.69 H new ATOM 724 N SER A 46 -3.311 -10.143 -3.387 1.00 0.65 N ATOM 725 CA SER A 46 -3.332 -10.469 -1.984 1.00 0.73 C ATOM 726 C SER A 46 -4.694 -11.027 -1.551 1.00 0.74 C ATOM 727 O SER A 46 -4.765 -12.013 -0.817 1.00 0.84 O ATOM 728 CB SER A 46 -3.024 -9.186 -1.234 1.00 0.75 C ATOM 729 OG SER A 46 -1.699 -8.749 -1.511 1.00 1.21 O ATOM 0 H SER A 46 -3.215 -9.144 -3.571 1.00 0.65 H new ATOM 0 HA SER A 46 -2.598 -11.245 -1.768 1.00 0.73 H new ATOM 0 HB2 SER A 46 -3.735 -8.411 -1.520 1.00 0.75 H new ATOM 0 HB3 SER A 46 -3.143 -9.347 -0.163 1.00 0.75 H new ATOM 0 HG SER A 46 -1.716 -8.097 -2.242 1.00 1.21 H new ATOM 735 N GLY A 47 -5.770 -10.382 -2.006 1.00 0.70 N ATOM 736 CA GLY A 47 -7.133 -10.793 -1.669 1.00 0.74 C ATOM 737 C GLY A 47 -7.630 -10.016 -0.451 1.00 0.75 C ATOM 738 O GLY A 47 -7.897 -10.599 0.603 1.00 0.88 O ATOM 0 H GLY A 47 -5.721 -9.565 -2.615 1.00 0.70 H new ATOM 0 HA2 GLY A 47 -7.794 -10.617 -2.517 1.00 0.74 H new ATOM 0 HA3 GLY A 47 -7.158 -11.863 -1.462 1.00 0.74 H new ATOM 742 N ILE A 48 -7.742 -8.696 -0.608 1.00 0.67 N ATOM 743 CA ILE A 48 -8.203 -7.805 0.462 1.00 0.72 C ATOM 744 C ILE A 48 -9.683 -7.473 0.237 1.00 0.75 C ATOM 745 O ILE A 48 -10.074 -7.088 -0.863 1.00 0.75 O ATOM 746 CB ILE A 48 -7.363 -6.512 0.476 1.00 0.71 C ATOM 747 CG1 ILE A 48 -5.857 -6.820 0.461 1.00 0.78 C ATOM 748 CG2 ILE A 48 -7.705 -5.648 1.692 1.00 0.82 C ATOM 749 CD1 ILE A 48 -5.454 -7.640 1.677 1.00 0.97 C ATOM 0 H ILE A 48 -7.517 -8.214 -1.478 1.00 0.67 H new ATOM 0 HA ILE A 48 -8.085 -8.302 1.425 1.00 0.72 H new ATOM 0 HB ILE A 48 -7.610 -5.958 -0.430 1.00 0.71 H new ATOM 0 HG12 ILE A 48 -5.603 -7.364 -0.449 1.00 0.78 H new ATOM 0 HG13 ILE A 48 -5.292 -5.888 0.443 1.00 0.78 H new ATOM 0 HG21 ILE A 48 -7.098 -4.743 1.677 1.00 0.82 H new ATOM 0 HG22 ILE A 48 -8.761 -5.378 1.661 1.00 0.82 H new ATOM 0 HG23 ILE A 48 -7.500 -6.207 2.605 1.00 0.82 H new ATOM 0 HD11 ILE A 48 -4.384 -7.843 1.640 1.00 0.97 H new ATOM 0 HD12 ILE A 48 -5.687 -7.083 2.585 1.00 0.97 H new ATOM 0 HD13 ILE A 48 -6.002 -8.582 1.679 1.00 0.97 H new ATOM 761 N PRO A 49 -10.532 -7.625 1.273 1.00 0.84 N ATOM 762 CA PRO A 49 -11.977 -7.348 1.161 1.00 0.93 C ATOM 763 C PRO A 49 -12.287 -5.848 0.995 1.00 0.93 C ATOM 764 O PRO A 49 -12.309 -5.089 1.968 1.00 1.08 O ATOM 765 CB PRO A 49 -12.558 -7.910 2.462 1.00 1.07 C ATOM 766 CG PRO A 49 -11.427 -7.893 3.435 1.00 1.06 C ATOM 767 CD PRO A 49 -10.167 -8.085 2.629 1.00 0.92 C ATOM 0 HA PRO A 49 -12.411 -7.804 0.271 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -13.391 -7.303 2.816 1.00 1.07 H new ATOM 0 HB3 PRO A 49 -12.939 -8.921 2.319 1.00 1.07 H new ATOM 0 HG2 PRO A 49 -11.399 -6.950 3.981 1.00 1.06 H new ATOM 0 HG3 PRO A 49 -11.539 -8.686 4.174 1.00 1.06 H new ATOM 0 HD2 PRO A 49 -9.340 -7.504 3.038 1.00 0.92 H new ATOM 0 HD3 PRO A 49 -9.852 -9.128 2.624 1.00 0.92 H new ATOM 775 N TYR A 50 -12.531 -5.444 -0.252 1.00 0.87 N ATOM 776 CA TYR A 50 -12.857 -4.059 -0.604 1.00 0.91 C ATOM 777 C TYR A 50 -14.336 -3.791 -0.294 1.00 1.12 C ATOM 778 O TYR A 50 -15.220 -4.428 -0.871 1.00 1.91 O ATOM 779 CB TYR A 50 -12.565 -3.848 -2.102 1.00 0.92 C ATOM 780 CG TYR A 50 -12.596 -2.400 -2.551 1.00 0.94 C ATOM 781 CD1 TYR A 50 -11.800 -1.457 -1.915 1.00 1.02 C ATOM 782 CD2 TYR A 50 -13.421 -2.010 -3.592 1.00 1.13 C ATOM 783 CE1 TYR A 50 -11.826 -0.133 -2.324 1.00 1.13 C ATOM 784 CE2 TYR A 50 -13.447 -0.685 -3.999 1.00 1.24 C ATOM 785 CZ TYR A 50 -12.655 0.242 -3.378 1.00 1.17 C ATOM 786 OH TYR A 50 -12.675 1.562 -3.775 1.00 1.34 O ATOM 0 H TYR A 50 -12.508 -6.073 -1.054 1.00 0.87 H new ATOM 0 HA TYR A 50 -12.252 -3.364 -0.022 1.00 0.91 H new ATOM 0 HB2 TYR A 50 -11.584 -4.265 -2.330 1.00 0.92 H new ATOM 0 HB3 TYR A 50 -13.294 -4.411 -2.684 1.00 0.92 H new ATOM 0 HD1 TYR A 50 -11.159 -1.756 -1.099 1.00 1.02 H new ATOM 0 HD2 TYR A 50 -14.045 -2.739 -4.088 1.00 1.13 H new ATOM 0 HE1 TYR A 50 -11.208 0.602 -1.829 1.00 1.13 H new ATOM 0 HE2 TYR A 50 -14.095 -0.383 -4.809 1.00 1.24 H new ATOM 0 HH TYR A 50 -12.655 1.610 -4.754 1.00 1.34 H new ATOM 796 N HIS A 51 -14.587 -2.873 0.643 1.00 1.28 N ATOM 797 CA HIS A 51 -15.947 -2.508 1.093 1.00 1.53 C ATOM 798 C HIS A 51 -16.595 -3.693 1.820 1.00 1.61 C ATOM 799 O HIS A 51 -16.421 -3.857 3.028 1.00 2.07 O ATOM 800 CB HIS A 51 -16.836 -2.014 -0.073 1.00 2.01 C ATOM 801 CG HIS A 51 -16.498 -0.626 -0.534 1.00 2.54 C ATOM 802 ND1 HIS A 51 -17.351 0.443 -0.411 1.00 3.19 N ATOM 803 CD2 HIS A 51 -15.393 -0.119 -1.134 1.00 2.89 C ATOM 804 CE1 HIS A 51 -16.814 1.534 -0.901 1.00 3.87 C ATOM 805 NE2 HIS A 51 -15.610 1.229 -1.357 1.00 3.74 N ATOM 0 H HIS A 51 -13.850 -2.353 1.119 1.00 1.28 H new ATOM 0 HA HIS A 51 -15.855 -1.674 1.789 1.00 1.53 H new ATOM 0 HB2 HIS A 51 -16.737 -2.702 -0.913 1.00 2.01 H new ATOM 0 HB3 HIS A 51 -17.880 -2.041 0.239 1.00 2.01 H new ATOM 0 HD2 HIS A 51 -14.501 -0.670 -1.392 1.00 2.89 H new ATOM 0 HE1 HIS A 51 -17.274 2.511 -0.928 1.00 3.87 H new ATOM 0 HE2 HIS A 51 -14.955 1.876 -1.797 1.00 3.74 H new ATOM 813 N SER A 52 -17.323 -4.526 1.082 1.00 1.60 N ATOM 814 CA SER A 52 -17.981 -5.707 1.654 1.00 1.96 C ATOM 815 C SER A 52 -18.296 -6.732 0.558 1.00 1.85 C ATOM 816 O SER A 52 -17.908 -7.898 0.657 1.00 2.45 O ATOM 817 CB SER A 52 -19.279 -5.317 2.380 1.00 2.44 C ATOM 818 OG SER A 52 -19.041 -4.344 3.397 1.00 2.65 O ATOM 0 H SER A 52 -17.475 -4.408 0.080 1.00 1.60 H new ATOM 0 HA SER A 52 -17.295 -6.151 2.375 1.00 1.96 H new ATOM 0 HB2 SER A 52 -19.995 -4.923 1.659 1.00 2.44 H new ATOM 0 HB3 SER A 52 -19.729 -6.205 2.824 1.00 2.44 H new ATOM 0 HG SER A 52 -18.080 -4.294 3.584 1.00 2.65 H new ATOM 824 N GLU A 53 -19.021 -6.290 -0.477 1.00 1.45 N ATOM 825 CA GLU A 53 -19.426 -7.152 -1.596 1.00 1.37 C ATOM 826 C GLU A 53 -18.258 -7.404 -2.558 1.00 1.08 C ATOM 827 O GLU A 53 -18.204 -6.831 -3.649 1.00 1.24 O ATOM 828 CB GLU A 53 -20.599 -6.505 -2.346 1.00 1.73 C ATOM 829 CG GLU A 53 -21.845 -6.416 -1.456 1.00 2.39 C ATOM 830 CD GLU A 53 -22.846 -5.418 -2.021 1.00 2.88 C ATOM 831 OE1 GLU A 53 -22.435 -4.295 -2.367 1.00 3.23 O ATOM 832 OE2 GLU A 53 -24.049 -5.747 -2.101 1.00 3.46 O ATOM 0 H GLU A 53 -19.343 -5.326 -0.563 1.00 1.45 H new ATOM 0 HA GLU A 53 -19.738 -8.115 -1.192 1.00 1.37 H new ATOM 0 HB2 GLU A 53 -20.315 -5.507 -2.679 1.00 1.73 H new ATOM 0 HB3 GLU A 53 -20.828 -7.086 -3.239 1.00 1.73 H new ATOM 0 HG2 GLU A 53 -22.311 -7.398 -1.376 1.00 2.39 H new ATOM 0 HG3 GLU A 53 -21.556 -6.117 -0.448 1.00 2.39 H new ATOM 839 N VAL A 54 -17.339 -8.278 -2.146 1.00 0.84 N ATOM 840 CA VAL A 54 -16.178 -8.634 -2.963 1.00 0.66 C ATOM 841 C VAL A 54 -16.459 -9.954 -3.696 1.00 0.55 C ATOM 842 O VAL A 54 -16.601 -9.946 -4.916 1.00 0.49 O ATOM 843 CB VAL A 54 -14.909 -8.692 -2.090 1.00 0.81 C ATOM 844 CG1 VAL A 54 -13.759 -9.410 -2.809 1.00 0.77 C ATOM 845 CG2 VAL A 54 -14.478 -7.279 -1.689 1.00 1.34 C ATOM 0 H VAL A 54 -17.377 -8.755 -1.245 1.00 0.84 H new ATOM 0 HA VAL A 54 -15.999 -7.870 -3.719 1.00 0.66 H new ATOM 0 HB VAL A 54 -15.150 -9.264 -1.194 1.00 0.81 H new ATOM 0 HG11 VAL A 54 -12.882 -9.431 -2.162 1.00 0.77 H new ATOM 0 HG12 VAL A 54 -14.059 -10.431 -3.046 1.00 0.77 H new ATOM 0 HG13 VAL A 54 -13.518 -8.879 -3.730 1.00 0.77 H new ATOM 0 HG21 VAL A 54 -13.581 -7.333 -1.073 1.00 1.34 H new ATOM 0 HG22 VAL A 54 -14.268 -6.695 -2.585 1.00 1.34 H new ATOM 0 HG23 VAL A 54 -15.278 -6.801 -1.124 1.00 1.34 H new ATOM 855 N PRO A 55 -16.573 -11.111 -2.983 1.00 0.62 N ATOM 856 CA PRO A 55 -16.870 -12.405 -3.637 1.00 0.59 C ATOM 857 C PRO A 55 -18.328 -12.463 -4.119 1.00 0.58 C ATOM 858 O PRO A 55 -19.259 -12.427 -3.305 1.00 0.83 O ATOM 859 CB PRO A 55 -16.622 -13.442 -2.541 1.00 0.76 C ATOM 860 CG PRO A 55 -16.823 -12.708 -1.259 1.00 0.87 C ATOM 861 CD PRO A 55 -16.438 -11.271 -1.515 1.00 0.83 C ATOM 0 HA PRO A 55 -16.256 -12.571 -4.522 1.00 0.59 H new ATOM 0 HB2 PRO A 55 -17.313 -14.280 -2.628 1.00 0.76 H new ATOM 0 HB3 PRO A 55 -15.614 -13.852 -2.607 1.00 0.76 H new ATOM 0 HG2 PRO A 55 -17.860 -12.778 -0.932 1.00 0.87 H new ATOM 0 HG3 PRO A 55 -16.209 -13.138 -0.467 1.00 0.87 H new ATOM 0 HD2 PRO A 55 -17.091 -10.583 -0.978 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -15.419 -11.067 -1.185 1.00 0.83 H new ATOM 869 N VAL A 56 -18.520 -12.532 -5.433 1.00 0.41 N ATOM 870 CA VAL A 56 -19.856 -12.580 -6.034 1.00 0.43 C ATOM 871 C VAL A 56 -19.941 -13.752 -7.018 1.00 0.42 C ATOM 872 O VAL A 56 -19.048 -13.952 -7.838 1.00 0.43 O ATOM 873 CB VAL A 56 -20.149 -11.248 -6.734 1.00 0.44 C ATOM 874 CG1 VAL A 56 -21.400 -11.342 -7.611 1.00 0.62 C ATOM 875 CG2 VAL A 56 -20.306 -10.129 -5.698 1.00 0.63 C ATOM 0 H VAL A 56 -17.759 -12.556 -6.112 1.00 0.41 H new ATOM 0 HA VAL A 56 -20.605 -12.734 -5.258 1.00 0.43 H new ATOM 0 HB VAL A 56 -19.304 -11.016 -7.383 1.00 0.44 H new ATOM 0 HG11 VAL A 56 -21.580 -10.381 -8.093 1.00 0.62 H new ATOM 0 HG12 VAL A 56 -21.254 -12.108 -8.373 1.00 0.62 H new ATOM 0 HG13 VAL A 56 -22.259 -11.604 -6.993 1.00 0.62 H new ATOM 0 HG21 VAL A 56 -20.514 -9.188 -6.207 1.00 0.63 H new ATOM 0 HG22 VAL A 56 -21.131 -10.368 -5.027 1.00 0.63 H new ATOM 0 HG23 VAL A 56 -19.385 -10.034 -5.122 1.00 0.63 H new ATOM 885 N SER A 57 -21.018 -14.528 -6.913 1.00 0.47 N ATOM 886 CA SER A 57 -21.246 -15.693 -7.763 1.00 0.48 C ATOM 887 C SER A 57 -21.680 -15.276 -9.177 1.00 0.46 C ATOM 888 O SER A 57 -22.622 -14.500 -9.348 1.00 0.59 O ATOM 889 CB SER A 57 -22.314 -16.576 -7.119 1.00 0.61 C ATOM 890 OG SER A 57 -22.221 -16.547 -5.697 1.00 0.91 O ATOM 0 H SER A 57 -21.760 -14.365 -6.232 1.00 0.47 H new ATOM 0 HA SER A 57 -20.313 -16.249 -7.857 1.00 0.48 H new ATOM 0 HB2 SER A 57 -23.303 -16.238 -7.428 1.00 0.61 H new ATOM 0 HB3 SER A 57 -22.203 -17.601 -7.472 1.00 0.61 H new ATOM 0 HG SER A 57 -22.917 -17.119 -5.312 1.00 0.91 H new ATOM 896 N LEU A 58 -20.991 -15.810 -10.184 1.00 0.44 N ATOM 897 CA LEU A 58 -21.285 -15.518 -11.590 1.00 0.49 C ATOM 898 C LEU A 58 -22.241 -16.573 -12.171 1.00 0.60 C ATOM 899 O LEU A 58 -22.059 -17.043 -13.295 1.00 0.89 O ATOM 900 CB LEU A 58 -19.967 -15.493 -12.381 1.00 0.67 C ATOM 901 CG LEU A 58 -20.083 -14.646 -13.650 1.00 0.70 C ATOM 902 CD1 LEU A 58 -19.886 -13.162 -13.331 1.00 0.60 C ATOM 903 CD2 LEU A 58 -19.077 -15.113 -14.706 1.00 0.86 C ATOM 0 H LEU A 58 -20.214 -16.457 -10.051 1.00 0.44 H new ATOM 0 HA LEU A 58 -21.773 -14.546 -11.665 1.00 0.49 H new ATOM 0 HB2 LEU A 58 -19.172 -15.096 -11.750 1.00 0.67 H new ATOM 0 HB3 LEU A 58 -19.684 -16.511 -12.648 1.00 0.67 H new ATOM 0 HG LEU A 58 -21.086 -14.775 -14.056 1.00 0.70 H new ATOM 0 HD11 LEU A 58 -19.973 -12.578 -14.247 1.00 0.60 H new ATOM 0 HD12 LEU A 58 -20.647 -12.838 -12.621 1.00 0.60 H new ATOM 0 HD13 LEU A 58 -18.898 -13.011 -12.897 1.00 0.60 H new ATOM 0 HD21 LEU A 58 -19.176 -14.498 -15.600 1.00 0.86 H new ATOM 0 HD22 LEU A 58 -18.065 -15.019 -14.311 1.00 0.86 H new ATOM 0 HD23 LEU A 58 -19.273 -16.155 -14.959 1.00 0.86 H new ATOM 915 N LYS A 59 -23.261 -16.944 -11.391 1.00 0.70 N ATOM 916 CA LYS A 59 -24.249 -17.944 -11.811 1.00 0.90 C ATOM 917 C LYS A 59 -25.357 -17.282 -12.637 1.00 0.87 C ATOM 918 O LYS A 59 -26.097 -16.435 -12.127 1.00 0.95 O ATOM 919 CB LYS A 59 -24.841 -18.644 -10.575 1.00 1.13 C ATOM 920 CG LYS A 59 -25.490 -19.982 -10.945 1.00 1.41 C ATOM 921 CD LYS A 59 -24.459 -21.119 -10.971 1.00 1.78 C ATOM 922 CE LYS A 59 -25.104 -22.457 -11.337 1.00 2.18 C ATOM 923 NZ LYS A 59 -26.099 -22.311 -12.441 1.00 2.83 N ATOM 0 H LYS A 59 -23.425 -16.564 -10.459 1.00 0.70 H new ATOM 0 HA LYS A 59 -23.757 -18.690 -12.435 1.00 0.90 H new ATOM 0 HB2 LYS A 59 -24.055 -18.811 -9.839 1.00 1.13 H new ATOM 0 HB3 LYS A 59 -25.582 -17.995 -10.108 1.00 1.13 H new ATOM 0 HG2 LYS A 59 -26.275 -20.218 -10.227 1.00 1.41 H new ATOM 0 HG3 LYS A 59 -25.966 -19.899 -11.922 1.00 1.41 H new ATOM 0 HD2 LYS A 59 -23.675 -20.884 -11.691 1.00 1.78 H new ATOM 0 HD3 LYS A 59 -23.981 -21.200 -9.995 1.00 1.78 H new ATOM 0 HE2 LYS A 59 -24.330 -23.163 -11.637 1.00 2.18 H new ATOM 0 HE3 LYS A 59 -25.595 -22.876 -10.459 1.00 2.18 H new ATOM 0 HZ1 LYS A 59 -26.148 -23.197 -12.984 1.00 2.83 H new ATOM 0 HZ2 LYS A 59 -27.035 -22.099 -12.039 1.00 2.83 H new ATOM 0 HZ3 LYS A 59 -25.809 -21.535 -13.070 1.00 2.83 H new ATOM 937 N GLU A 60 -25.456 -17.676 -13.912 1.00 0.89 N ATOM 938 CA GLU A 60 -26.458 -17.141 -14.851 1.00 0.93 C ATOM 939 C GLU A 60 -26.278 -15.627 -15.029 1.00 0.71 C ATOM 940 O GLU A 60 -27.185 -14.843 -14.741 1.00 0.82 O ATOM 941 CB GLU A 60 -27.892 -17.467 -14.378 1.00 1.20 C ATOM 942 CG GLU A 60 -28.041 -18.908 -13.854 1.00 1.43 C ATOM 943 CD GLU A 60 -27.470 -19.926 -14.838 1.00 1.80 C ATOM 944 OE1 GLU A 60 -28.035 -20.081 -15.939 1.00 2.04 O ATOM 945 OE2 GLU A 60 -26.460 -20.580 -14.509 1.00 2.33 O ATOM 0 H GLU A 60 -24.842 -18.378 -14.326 1.00 0.89 H new ATOM 0 HA GLU A 60 -26.305 -17.622 -15.817 1.00 0.93 H new ATOM 0 HB2 GLU A 60 -28.176 -16.769 -13.591 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -28.585 -17.314 -15.205 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -27.531 -19.002 -12.896 1.00 1.43 H new ATOM 0 HG3 GLU A 60 -29.095 -19.124 -13.677 1.00 1.43 H new ATOM 952 N ALA A 61 -25.100 -15.229 -15.500 1.00 0.51 N ATOM 953 CA ALA A 61 -24.780 -13.820 -15.712 1.00 0.35 C ATOM 954 C ALA A 61 -25.132 -13.392 -17.140 1.00 0.35 C ATOM 955 O ALA A 61 -24.518 -13.855 -18.105 1.00 0.43 O ATOM 956 CB ALA A 61 -23.290 -13.582 -15.448 1.00 0.31 C ATOM 0 H ALA A 61 -24.344 -15.869 -15.744 1.00 0.51 H new ATOM 0 HA ALA A 61 -25.371 -13.222 -15.018 1.00 0.35 H new ATOM 0 HB1 ALA A 61 -23.056 -12.529 -15.607 1.00 0.31 H new ATOM 0 HB2 ALA A 61 -23.055 -13.854 -14.419 1.00 0.31 H new ATOM 0 HB3 ALA A 61 -22.698 -14.193 -16.129 1.00 0.31 H new ATOM 962 N ILE A 62 -26.110 -12.493 -17.257 1.00 0.34 N ATOM 963 CA ILE A 62 -26.547 -11.961 -18.551 1.00 0.37 C ATOM 964 C ILE A 62 -25.684 -10.756 -18.907 1.00 0.31 C ATOM 965 O ILE A 62 -25.434 -9.895 -18.062 1.00 0.31 O ATOM 966 CB ILE A 62 -28.021 -11.544 -18.481 1.00 0.46 C ATOM 967 CG1 ILE A 62 -28.908 -12.758 -18.188 1.00 0.53 C ATOM 968 CG2 ILE A 62 -28.458 -10.871 -19.785 1.00 0.57 C ATOM 969 CD1 ILE A 62 -29.665 -12.601 -16.872 1.00 1.27 C ATOM 0 H ILE A 62 -26.621 -12.113 -16.460 1.00 0.34 H new ATOM 0 HA ILE A 62 -26.440 -12.731 -19.316 1.00 0.37 H new ATOM 0 HB ILE A 62 -28.132 -10.825 -17.669 1.00 0.46 H new ATOM 0 HG12 ILE A 62 -29.619 -12.894 -19.003 1.00 0.53 H new ATOM 0 HG13 ILE A 62 -28.293 -13.657 -18.149 1.00 0.53 H new ATOM 0 HG21 ILE A 62 -29.507 -10.584 -19.712 1.00 0.57 H new ATOM 0 HG22 ILE A 62 -27.850 -9.983 -19.958 1.00 0.57 H new ATOM 0 HG23 ILE A 62 -28.329 -11.566 -20.614 1.00 0.57 H new ATOM 0 HD11 ILE A 62 -30.283 -13.482 -16.700 1.00 1.27 H new ATOM 0 HD12 ILE A 62 -28.953 -12.492 -16.054 1.00 1.27 H new ATOM 0 HD13 ILE A 62 -30.300 -11.717 -16.921 1.00 1.27 H new ATOM 981 N CYS A 63 -25.228 -10.699 -20.151 1.00 0.34 N ATOM 982 CA CYS A 63 -24.378 -9.600 -20.613 1.00 0.33 C ATOM 983 C CYS A 63 -24.936 -8.990 -21.905 1.00 0.34 C ATOM 984 O CYS A 63 -25.048 -9.671 -22.925 1.00 0.52 O ATOM 985 CB CYS A 63 -22.940 -10.116 -20.822 1.00 0.37 C ATOM 986 SG CYS A 63 -21.696 -9.084 -20.030 1.00 0.53 S ATOM 0 H CYS A 63 -25.431 -11.401 -20.863 1.00 0.34 H new ATOM 0 HA CYS A 63 -24.365 -8.815 -19.857 1.00 0.33 H new ATOM 0 HB2 CYS A 63 -22.864 -11.131 -20.431 1.00 0.37 H new ATOM 0 HB3 CYS A 63 -22.732 -10.170 -21.891 1.00 0.37 H new ATOM 0 HG CYS A 63 -22.280 -8.216 -19.258 1.00 0.53 H new ATOM 992 N GLU A 64 -25.267 -7.696 -21.856 1.00 0.26 N ATOM 993 CA GLU A 64 -25.793 -6.959 -23.017 1.00 0.29 C ATOM 994 C GLU A 64 -24.834 -5.822 -23.369 1.00 0.24 C ATOM 995 O GLU A 64 -24.167 -5.277 -22.489 1.00 0.36 O ATOM 996 CB GLU A 64 -27.185 -6.394 -22.716 1.00 0.33 C ATOM 997 CG GLU A 64 -28.105 -7.462 -22.114 1.00 0.81 C ATOM 998 CD GLU A 64 -29.567 -7.081 -22.308 1.00 1.41 C ATOM 999 OE1 GLU A 64 -30.029 -7.054 -23.463 1.00 1.83 O ATOM 1000 OE2 GLU A 64 -30.253 -6.803 -21.303 1.00 1.96 O ATOM 0 H GLU A 64 -25.179 -7.128 -21.014 1.00 0.26 H new ATOM 0 HA GLU A 64 -25.878 -7.643 -23.861 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -27.097 -5.556 -22.025 1.00 0.33 H new ATOM 0 HB3 GLU A 64 -27.628 -6.006 -23.633 1.00 0.33 H new ATOM 0 HG2 GLU A 64 -27.909 -8.426 -22.584 1.00 0.81 H new ATOM 0 HG3 GLU A 64 -27.891 -7.577 -21.051 1.00 0.81 H new ATOM 1007 N VAL A 65 -24.755 -5.472 -24.646 1.00 0.34 N ATOM 1008 CA VAL A 65 -23.859 -4.408 -25.109 1.00 0.32 C ATOM 1009 C VAL A 65 -24.557 -3.037 -25.065 1.00 0.31 C ATOM 1010 O VAL A 65 -25.719 -2.902 -25.470 1.00 0.43 O ATOM 1011 CB VAL A 65 -23.382 -4.714 -26.535 1.00 0.45 C ATOM 1012 CG1 VAL A 65 -22.174 -3.845 -26.897 1.00 0.34 C ATOM 1013 CG2 VAL A 65 -23.036 -6.201 -26.688 1.00 0.39 C ATOM 0 H VAL A 65 -25.302 -5.909 -25.387 1.00 0.34 H new ATOM 0 HA VAL A 65 -22.998 -4.369 -24.441 1.00 0.32 H new ATOM 0 HB VAL A 65 -24.196 -4.480 -27.221 1.00 0.45 H new ATOM 0 HG11 VAL A 65 -21.850 -4.076 -27.912 1.00 0.34 H new ATOM 0 HG12 VAL A 65 -22.451 -2.793 -26.836 1.00 0.34 H new ATOM 0 HG13 VAL A 65 -21.359 -4.047 -26.201 1.00 0.34 H new ATOM 0 HG21 VAL A 65 -22.700 -6.394 -27.707 1.00 0.39 H new ATOM 0 HG22 VAL A 65 -22.242 -6.464 -25.989 1.00 0.39 H new ATOM 0 HG23 VAL A 65 -23.919 -6.804 -26.477 1.00 0.39 H new ATOM 1023 N ALA A 66 -23.823 -2.029 -24.589 1.00 0.25 N ATOM 1024 CA ALA A 66 -24.304 -0.648 -24.486 1.00 0.31 C ATOM 1025 C ALA A 66 -23.252 0.281 -25.100 1.00 0.34 C ATOM 1026 O ALA A 66 -22.439 0.886 -24.393 1.00 0.36 O ATOM 1027 CB ALA A 66 -24.564 -0.281 -23.021 1.00 0.36 C ATOM 0 H ALA A 66 -22.865 -2.150 -24.260 1.00 0.25 H new ATOM 0 HA ALA A 66 -25.245 -0.541 -25.026 1.00 0.31 H new ATOM 0 HB1 ALA A 66 -24.921 0.747 -22.961 1.00 0.36 H new ATOM 0 HB2 ALA A 66 -25.317 -0.951 -22.606 1.00 0.36 H new ATOM 0 HB3 ALA A 66 -23.639 -0.378 -22.452 1.00 0.36 H new ATOM 1033 N LEU A 67 -23.258 0.367 -26.429 1.00 0.55 N ATOM 1034 CA LEU A 67 -22.302 1.194 -27.175 1.00 0.71 C ATOM 1035 C LEU A 67 -22.682 2.683 -27.117 1.00 0.89 C ATOM 1036 O LEU A 67 -21.888 3.543 -27.500 1.00 1.22 O ATOM 1037 CB LEU A 67 -22.241 0.716 -28.631 1.00 0.76 C ATOM 1038 CG LEU A 67 -21.239 -0.435 -28.805 1.00 0.99 C ATOM 1039 CD1 LEU A 67 -21.281 -0.989 -30.229 1.00 1.39 C ATOM 1040 CD2 LEU A 67 -19.820 0.009 -28.441 1.00 1.38 C ATOM 0 H LEU A 67 -23.922 -0.132 -27.021 1.00 0.55 H new ATOM 0 HA LEU A 67 -21.320 1.087 -26.714 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -23.231 0.389 -28.949 1.00 0.76 H new ATOM 0 HB3 LEU A 67 -21.957 1.547 -29.276 1.00 0.76 H new ATOM 0 HG LEU A 67 -21.530 -1.232 -28.121 1.00 0.99 H new ATOM 0 HD11 LEU A 67 -20.562 -1.803 -30.324 1.00 1.39 H new ATOM 0 HD12 LEU A 67 -22.282 -1.362 -30.445 1.00 1.39 H new ATOM 0 HD13 LEU A 67 -21.029 -0.198 -30.935 1.00 1.39 H new ATOM 0 HD21 LEU A 67 -19.132 -0.826 -28.574 1.00 1.38 H new ATOM 0 HD22 LEU A 67 -19.519 0.833 -29.088 1.00 1.38 H new ATOM 0 HD23 LEU A 67 -19.797 0.337 -27.402 1.00 1.38 H new ATOM 1052 N ASP A 68 -23.891 2.978 -26.640 1.00 0.90 N ATOM 1053 CA ASP A 68 -24.378 4.353 -26.521 1.00 1.14 C ATOM 1054 C ASP A 68 -25.173 4.491 -25.223 1.00 0.87 C ATOM 1055 O ASP A 68 -26.401 4.592 -25.234 1.00 1.00 O ATOM 1056 CB ASP A 68 -25.243 4.717 -27.741 1.00 1.59 C ATOM 1057 CG ASP A 68 -25.596 6.207 -27.743 1.00 2.35 C ATOM 1058 OD1 ASP A 68 -24.769 7.023 -28.204 1.00 3.07 O ATOM 1059 OD2 ASP A 68 -26.697 6.566 -27.276 1.00 2.62 O ATOM 0 H ASP A 68 -24.559 2.274 -26.326 1.00 0.90 H new ATOM 0 HA ASP A 68 -23.534 5.043 -26.493 1.00 1.14 H new ATOM 0 HB2 ASP A 68 -24.709 4.466 -28.657 1.00 1.59 H new ATOM 0 HB3 ASP A 68 -26.157 4.124 -27.732 1.00 1.59 H new ATOM 1064 N TYR A 69 -24.458 4.493 -24.101 1.00 0.81 N ATOM 1065 CA TYR A 69 -25.080 4.629 -22.784 1.00 0.69 C ATOM 1066 C TYR A 69 -24.964 6.081 -22.314 1.00 0.97 C ATOM 1067 O TYR A 69 -24.040 6.432 -21.578 1.00 1.47 O ATOM 1068 CB TYR A 69 -24.425 3.676 -21.770 1.00 0.58 C ATOM 1069 CG TYR A 69 -25.015 3.816 -20.383 1.00 0.53 C ATOM 1070 CD1 TYR A 69 -26.359 3.547 -20.175 1.00 0.72 C ATOM 1071 CD2 TYR A 69 -24.227 4.236 -19.325 1.00 0.55 C ATOM 1072 CE1 TYR A 69 -26.910 3.702 -18.917 1.00 0.85 C ATOM 1073 CE2 TYR A 69 -24.782 4.386 -18.064 1.00 0.64 C ATOM 1074 CZ TYR A 69 -26.121 4.121 -17.867 1.00 0.76 C ATOM 1075 OH TYR A 69 -26.673 4.277 -16.615 1.00 0.97 O ATOM 0 H TYR A 69 -23.442 4.402 -24.076 1.00 0.81 H new ATOM 0 HA TYR A 69 -26.134 4.361 -22.859 1.00 0.69 H new ATOM 0 HB2 TYR A 69 -24.546 2.648 -22.111 1.00 0.58 H new ATOM 0 HB3 TYR A 69 -23.354 3.874 -21.728 1.00 0.58 H new ATOM 0 HD1 TYR A 69 -26.976 3.216 -20.997 1.00 0.72 H new ATOM 0 HD2 TYR A 69 -23.180 4.447 -19.482 1.00 0.55 H new ATOM 0 HE1 TYR A 69 -27.958 3.495 -18.757 1.00 0.85 H new ATOM 0 HE2 TYR A 69 -24.167 4.710 -17.237 1.00 0.64 H new ATOM 0 HH TYR A 69 -27.415 3.647 -16.504 1.00 0.97 H new ATOM 1085 N LYS A 70 -25.903 6.919 -22.770 1.00 1.40 N ATOM 1086 CA LYS A 70 -25.950 8.355 -22.439 1.00 1.81 C ATOM 1087 C LYS A 70 -24.821 9.115 -23.145 1.00 1.82 C ATOM 1088 O LYS A 70 -25.070 9.878 -24.081 1.00 2.53 O ATOM 1089 CB LYS A 70 -25.902 8.590 -20.917 1.00 2.43 C ATOM 1090 CG LYS A 70 -26.975 7.772 -20.184 1.00 2.98 C ATOM 1091 CD LYS A 70 -27.801 8.655 -19.244 1.00 3.79 C ATOM 1092 CE LYS A 70 -28.911 7.860 -18.547 1.00 4.45 C ATOM 1093 NZ LYS A 70 -29.908 7.333 -19.524 1.00 4.84 N ATOM 0 H LYS A 70 -26.660 6.620 -23.385 1.00 1.40 H new ATOM 0 HA LYS A 70 -26.903 8.743 -22.800 1.00 1.81 H new ATOM 0 HB2 LYS A 70 -24.916 8.321 -20.538 1.00 2.43 H new ATOM 0 HB3 LYS A 70 -26.046 9.650 -20.707 1.00 2.43 H new ATOM 0 HG2 LYS A 70 -27.633 7.296 -20.911 1.00 2.98 H new ATOM 0 HG3 LYS A 70 -26.500 6.974 -19.613 1.00 2.98 H new ATOM 0 HD2 LYS A 70 -27.147 9.100 -18.494 1.00 3.79 H new ATOM 0 HD3 LYS A 70 -28.242 9.476 -19.810 1.00 3.79 H new ATOM 0 HE2 LYS A 70 -28.472 7.031 -17.992 1.00 4.45 H new ATOM 0 HE3 LYS A 70 -29.415 8.498 -17.821 1.00 4.45 H new ATOM 0 HZ1 LYS A 70 -30.742 6.981 -19.013 1.00 4.84 H new ATOM 0 HZ2 LYS A 70 -30.195 8.094 -20.172 1.00 4.84 H new ATOM 0 HZ3 LYS A 70 -29.483 6.556 -20.069 1.00 4.84 H new ATOM 1107 N LYS A 71 -23.586 8.892 -22.704 1.00 1.80 N ATOM 1108 CA LYS A 71 -22.414 9.540 -23.294 1.00 2.22 C ATOM 1109 C LYS A 71 -21.148 8.767 -22.918 1.00 2.19 C ATOM 1110 O LYS A 71 -20.286 9.269 -22.198 1.00 2.78 O ATOM 1111 CB LYS A 71 -22.321 11.009 -22.838 1.00 2.97 C ATOM 1112 CG LYS A 71 -22.723 11.189 -21.371 1.00 3.56 C ATOM 1113 CD LYS A 71 -22.203 12.514 -20.812 1.00 4.44 C ATOM 1114 CE LYS A 71 -22.742 12.775 -19.403 1.00 5.27 C ATOM 1115 NZ LYS A 71 -22.266 14.082 -18.869 1.00 5.62 N ATOM 0 H LYS A 71 -23.368 8.261 -21.933 1.00 1.80 H new ATOM 0 HA LYS A 71 -22.514 9.534 -24.379 1.00 2.22 H new ATOM 0 HB2 LYS A 71 -21.301 11.367 -22.980 1.00 2.97 H new ATOM 0 HB3 LYS A 71 -22.965 11.624 -23.467 1.00 2.97 H new ATOM 0 HG2 LYS A 71 -23.809 11.155 -21.282 1.00 3.56 H new ATOM 0 HG3 LYS A 71 -22.329 10.362 -20.780 1.00 3.56 H new ATOM 0 HD2 LYS A 71 -21.113 12.499 -20.789 1.00 4.44 H new ATOM 0 HD3 LYS A 71 -22.497 13.330 -21.473 1.00 4.44 H new ATOM 0 HE2 LYS A 71 -23.832 12.764 -19.421 1.00 5.27 H new ATOM 0 HE3 LYS A 71 -22.426 11.972 -18.737 1.00 5.27 H new ATOM 0 HZ1 LYS A 71 -22.650 14.227 -17.913 1.00 5.62 H new ATOM 0 HZ2 LYS A 71 -21.227 14.083 -18.829 1.00 5.62 H new ATOM 0 HZ3 LYS A 71 -22.589 14.850 -19.492 1.00 5.62 H new ATOM 1129 N LYS A 72 -21.051 7.537 -23.416 1.00 2.22 N ATOM 1130 CA LYS A 72 -19.903 6.660 -23.159 1.00 2.54 C ATOM 1131 C LYS A 72 -19.605 5.835 -24.413 1.00 1.92 C ATOM 1132 O LYS A 72 -20.478 5.648 -25.267 1.00 2.45 O ATOM 1133 CB LYS A 72 -20.186 5.747 -21.955 1.00 3.71 C ATOM 1134 CG LYS A 72 -19.579 6.319 -20.668 1.00 4.59 C ATOM 1135 CD LYS A 72 -20.493 6.088 -19.460 1.00 5.67 C ATOM 1136 CE LYS A 72 -19.743 6.270 -18.133 1.00 6.56 C ATOM 1137 NZ LYS A 72 -18.996 7.562 -18.086 1.00 7.03 N ATOM 0 H LYS A 72 -21.765 7.116 -24.010 1.00 2.22 H new ATOM 0 HA LYS A 72 -19.029 7.266 -22.920 1.00 2.54 H new ATOM 0 HB2 LYS A 72 -21.262 5.628 -21.831 1.00 3.71 H new ATOM 0 HB3 LYS A 72 -19.776 4.755 -22.144 1.00 3.71 H new ATOM 0 HG2 LYS A 72 -18.610 5.855 -20.485 1.00 4.59 H new ATOM 0 HG3 LYS A 72 -19.403 7.387 -20.792 1.00 4.59 H new ATOM 0 HD2 LYS A 72 -21.332 6.783 -19.501 1.00 5.67 H new ATOM 0 HD3 LYS A 72 -20.910 5.082 -19.507 1.00 5.67 H new ATOM 0 HE2 LYS A 72 -20.453 6.231 -17.307 1.00 6.56 H new ATOM 0 HE3 LYS A 72 -19.047 5.443 -17.994 1.00 6.56 H new ATOM 0 HZ1 LYS A 72 -18.645 7.725 -17.121 1.00 7.03 H new ATOM 0 HZ2 LYS A 72 -18.192 7.522 -18.744 1.00 7.03 H new ATOM 0 HZ3 LYS A 72 -19.630 8.340 -18.360 1.00 7.03 H new ATOM 1151 N LYS A 73 -18.363 5.371 -24.534 1.00 1.52 N ATOM 1152 CA LYS A 73 -17.928 4.597 -25.699 1.00 1.35 C ATOM 1153 C LYS A 73 -18.369 3.129 -25.622 1.00 1.05 C ATOM 1154 O LYS A 73 -19.360 2.744 -26.238 1.00 1.79 O ATOM 1155 CB LYS A 73 -16.402 4.686 -25.844 1.00 1.94 C ATOM 1156 CG LYS A 73 -15.977 5.991 -26.515 1.00 2.32 C ATOM 1157 CD LYS A 73 -14.462 6.032 -26.731 1.00 2.93 C ATOM 1158 CE LYS A 73 -14.051 7.211 -27.615 1.00 3.52 C ATOM 1159 NZ LYS A 73 -14.483 8.514 -27.030 1.00 3.96 N ATOM 0 H LYS A 73 -17.634 5.518 -23.835 1.00 1.52 H new ATOM 0 HA LYS A 73 -18.407 5.030 -26.577 1.00 1.35 H new ATOM 0 HB2 LYS A 73 -15.937 4.614 -24.861 1.00 1.94 H new ATOM 0 HB3 LYS A 73 -16.041 3.841 -26.430 1.00 1.94 H new ATOM 0 HG2 LYS A 73 -16.487 6.094 -27.473 1.00 2.32 H new ATOM 0 HG3 LYS A 73 -16.283 6.837 -25.899 1.00 2.32 H new ATOM 0 HD2 LYS A 73 -13.958 6.106 -25.767 1.00 2.93 H new ATOM 0 HD3 LYS A 73 -14.134 5.100 -27.191 1.00 2.93 H new ATOM 0 HE2 LYS A 73 -12.969 7.210 -27.743 1.00 3.52 H new ATOM 0 HE3 LYS A 73 -14.489 7.093 -28.606 1.00 3.52 H new ATOM 0 HZ1 LYS A 73 -14.046 9.295 -27.560 1.00 3.96 H new ATOM 0 HZ2 LYS A 73 -15.518 8.594 -27.087 1.00 3.96 H new ATOM 0 HZ3 LYS A 73 -14.186 8.563 -26.034 1.00 3.96 H new ATOM 1173 N HIS A 74 -17.602 2.306 -24.903 1.00 0.67 N ATOM 1174 CA HIS A 74 -17.883 0.866 -24.792 1.00 0.38 C ATOM 1175 C HIS A 74 -18.307 0.473 -23.372 1.00 0.30 C ATOM 1176 O HIS A 74 -17.461 0.272 -22.491 1.00 0.37 O ATOM 1177 CB HIS A 74 -16.630 0.066 -25.202 1.00 0.64 C ATOM 1178 CG HIS A 74 -16.397 0.022 -26.690 1.00 0.91 C ATOM 1179 ND1 HIS A 74 -16.166 1.140 -27.451 1.00 1.30 N ATOM 1180 CD2 HIS A 74 -16.351 -1.012 -27.573 1.00 1.38 C ATOM 1181 CE1 HIS A 74 -15.990 0.830 -28.711 1.00 1.47 C ATOM 1182 NE2 HIS A 74 -16.094 -0.484 -28.827 1.00 1.53 N ATOM 0 H HIS A 74 -16.777 2.611 -24.386 1.00 0.67 H new ATOM 0 HA HIS A 74 -18.713 0.634 -25.460 1.00 0.38 H new ATOM 0 HB2 HIS A 74 -15.756 0.504 -24.720 1.00 0.64 H new ATOM 0 HB3 HIS A 74 -16.723 -0.954 -24.828 1.00 0.64 H new ATOM 0 HD2 HIS A 74 -16.490 -2.057 -27.338 1.00 1.38 H new ATOM 0 HE1 HIS A 74 -15.794 1.525 -29.514 1.00 1.47 H new ATOM 0 HE2 HIS A 74 -16.001 -1.017 -29.692 1.00 1.53 H new ATOM 1190 N VAL A 75 -19.621 0.331 -23.177 1.00 0.26 N ATOM 1191 CA VAL A 75 -20.204 -0.083 -21.895 1.00 0.23 C ATOM 1192 C VAL A 75 -21.042 -1.342 -22.129 1.00 0.22 C ATOM 1193 O VAL A 75 -21.532 -1.568 -23.238 1.00 0.26 O ATOM 1194 CB VAL A 75 -21.088 1.046 -21.319 1.00 0.25 C ATOM 1195 CG1 VAL A 75 -21.846 0.585 -20.064 1.00 0.28 C ATOM 1196 CG2 VAL A 75 -20.246 2.276 -20.998 1.00 0.31 C ATOM 0 H VAL A 75 -20.314 0.500 -23.906 1.00 0.26 H new ATOM 0 HA VAL A 75 -19.411 -0.292 -21.177 1.00 0.23 H new ATOM 0 HB VAL A 75 -21.823 1.307 -22.081 1.00 0.25 H new ATOM 0 HG11 VAL A 75 -22.457 1.405 -19.686 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -22.487 -0.260 -20.316 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -21.132 0.282 -19.298 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -20.886 3.060 -20.594 1.00 0.31 H new ATOM 0 HG22 VAL A 75 -19.485 2.014 -20.263 1.00 0.31 H new ATOM 0 HG23 VAL A 75 -19.764 2.635 -21.908 1.00 0.31 H new ATOM 1206 N PHE A 76 -21.220 -2.157 -21.099 1.00 0.22 N ATOM 1207 CA PHE A 76 -22.026 -3.372 -21.211 1.00 0.23 C ATOM 1208 C PHE A 76 -22.790 -3.601 -19.911 1.00 0.22 C ATOM 1209 O PHE A 76 -22.273 -3.372 -18.814 1.00 0.27 O ATOM 1210 CB PHE A 76 -21.170 -4.596 -21.592 1.00 0.26 C ATOM 1211 CG PHE A 76 -20.085 -4.972 -20.603 1.00 0.24 C ATOM 1212 CD1 PHE A 76 -18.829 -4.392 -20.690 1.00 0.26 C ATOM 1213 CD2 PHE A 76 -20.337 -5.926 -19.629 1.00 0.27 C ATOM 1214 CE1 PHE A 76 -17.829 -4.762 -19.806 1.00 0.28 C ATOM 1215 CE2 PHE A 76 -19.339 -6.294 -18.740 1.00 0.29 C ATOM 1216 CZ PHE A 76 -18.084 -5.712 -18.828 1.00 0.29 C ATOM 0 H PHE A 76 -20.818 -2.002 -20.174 1.00 0.22 H new ATOM 0 HA PHE A 76 -22.744 -3.238 -22.020 1.00 0.23 H new ATOM 0 HB2 PHE A 76 -21.831 -5.453 -21.721 1.00 0.26 H new ATOM 0 HB3 PHE A 76 -20.704 -4.404 -22.559 1.00 0.26 H new ATOM 0 HD1 PHE A 76 -18.630 -3.650 -21.449 1.00 0.26 H new ATOM 0 HD2 PHE A 76 -21.313 -6.383 -19.563 1.00 0.27 H new ATOM 0 HE1 PHE A 76 -16.850 -4.311 -19.878 1.00 0.28 H new ATOM 0 HE2 PHE A 76 -19.539 -7.034 -17.979 1.00 0.29 H new ATOM 0 HZ PHE A 76 -17.306 -5.998 -18.136 1.00 0.29 H new ATOM 1226 N LYS A 77 -24.037 -4.045 -20.049 1.00 0.23 N ATOM 1227 CA LYS A 77 -24.908 -4.309 -18.905 1.00 0.28 C ATOM 1228 C LYS A 77 -24.680 -5.729 -18.413 1.00 0.31 C ATOM 1229 O LYS A 77 -24.868 -6.683 -19.166 1.00 0.58 O ATOM 1230 CB LYS A 77 -26.381 -4.134 -19.301 1.00 0.36 C ATOM 1231 CG LYS A 77 -26.676 -2.720 -19.823 1.00 1.20 C ATOM 1232 CD LYS A 77 -27.809 -2.057 -19.034 1.00 1.33 C ATOM 1233 CE LYS A 77 -29.174 -2.624 -19.424 1.00 1.76 C ATOM 1234 NZ LYS A 77 -30.160 -2.460 -18.321 1.00 1.95 N ATOM 0 H LYS A 77 -24.471 -4.231 -20.953 1.00 0.23 H new ATOM 0 HA LYS A 77 -24.671 -3.601 -18.111 1.00 0.28 H new ATOM 0 HB2 LYS A 77 -26.639 -4.864 -20.068 1.00 0.36 H new ATOM 0 HB3 LYS A 77 -27.015 -4.341 -18.439 1.00 0.36 H new ATOM 0 HG2 LYS A 77 -25.776 -2.109 -19.752 1.00 1.20 H new ATOM 0 HG3 LYS A 77 -26.946 -2.769 -20.878 1.00 1.20 H new ATOM 0 HD2 LYS A 77 -27.645 -2.205 -17.967 1.00 1.33 H new ATOM 0 HD3 LYS A 77 -27.797 -0.982 -19.213 1.00 1.33 H new ATOM 0 HE2 LYS A 77 -29.538 -2.119 -20.319 1.00 1.76 H new ATOM 0 HE3 LYS A 77 -29.074 -3.681 -19.672 1.00 1.76 H new ATOM 0 HZ1 LYS A 77 -31.077 -2.854 -18.614 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -29.822 -2.962 -17.475 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -30.271 -1.449 -18.102 1.00 1.95 H new ATOM 1248 N LEU A 78 -24.274 -5.857 -17.158 1.00 0.23 N ATOM 1249 CA LEU A 78 -24.016 -7.160 -16.547 1.00 0.24 C ATOM 1250 C LEU A 78 -25.065 -7.437 -15.473 1.00 0.29 C ATOM 1251 O LEU A 78 -25.060 -6.833 -14.397 1.00 0.36 O ATOM 1252 CB LEU A 78 -22.598 -7.186 -15.958 1.00 0.30 C ATOM 1253 CG LEU A 78 -22.165 -8.584 -15.526 1.00 0.48 C ATOM 1254 CD1 LEU A 78 -22.631 -9.649 -16.519 1.00 0.30 C ATOM 1255 CD2 LEU A 78 -20.651 -8.650 -15.357 1.00 0.86 C ATOM 0 H LEU A 78 -24.114 -5.066 -16.534 1.00 0.23 H new ATOM 0 HA LEU A 78 -24.084 -7.943 -17.303 1.00 0.24 H new ATOM 0 HB2 LEU A 78 -21.895 -6.805 -16.698 1.00 0.30 H new ATOM 0 HB3 LEU A 78 -22.553 -6.515 -15.100 1.00 0.30 H new ATOM 0 HG LEU A 78 -22.638 -8.790 -14.566 1.00 0.48 H new ATOM 0 HD11 LEU A 78 -22.304 -10.632 -16.179 1.00 0.30 H new ATOM 0 HD12 LEU A 78 -23.719 -9.632 -16.587 1.00 0.30 H new ATOM 0 HD13 LEU A 78 -22.202 -9.444 -17.500 1.00 0.30 H new ATOM 0 HD21 LEU A 78 -20.363 -9.655 -15.049 1.00 0.86 H new ATOM 0 HD22 LEU A 78 -20.168 -8.408 -16.304 1.00 0.86 H new ATOM 0 HD23 LEU A 78 -20.338 -7.934 -14.597 1.00 0.86 H new ATOM 1267 N ARG A 79 -25.970 -8.355 -15.782 1.00 0.31 N ATOM 1268 CA ARG A 79 -27.051 -8.747 -14.880 1.00 0.40 C ATOM 1269 C ARG A 79 -26.683 -10.066 -14.206 1.00 0.45 C ATOM 1270 O ARG A 79 -26.342 -11.034 -14.882 1.00 0.51 O ATOM 1271 CB ARG A 79 -28.358 -8.904 -15.681 1.00 0.50 C ATOM 1272 CG ARG A 79 -29.499 -8.063 -15.105 1.00 1.11 C ATOM 1273 CD ARG A 79 -30.232 -8.804 -13.979 1.00 1.51 C ATOM 1274 NE ARG A 79 -31.621 -8.351 -13.891 1.00 1.91 N ATOM 1275 CZ ARG A 79 -32.416 -8.689 -12.878 1.00 2.46 C ATOM 1276 NH1 ARG A 79 -32.746 -9.958 -12.687 1.00 2.93 N ATOM 1277 NH2 ARG A 79 -32.868 -7.755 -12.062 1.00 2.99 N ATOM 0 H ARG A 79 -25.977 -8.854 -16.672 1.00 0.31 H new ATOM 0 HA ARG A 79 -27.196 -7.982 -14.117 1.00 0.40 H new ATOM 0 HB2 ARG A 79 -28.183 -8.614 -16.717 1.00 0.50 H new ATOM 0 HB3 ARG A 79 -28.652 -9.954 -15.689 1.00 0.50 H new ATOM 0 HG2 ARG A 79 -29.102 -7.122 -14.724 1.00 1.11 H new ATOM 0 HG3 ARG A 79 -30.205 -7.814 -15.898 1.00 1.11 H new ATOM 0 HD2 ARG A 79 -30.204 -9.878 -14.163 1.00 1.51 H new ATOM 0 HD3 ARG A 79 -29.725 -8.630 -13.030 1.00 1.51 H new ATOM 0 HE ARG A 79 -31.993 -7.756 -14.631 1.00 1.91 H new ATOM 0 HH11 ARG A 79 -32.391 -10.678 -13.317 1.00 2.93 H new ATOM 0 HH12 ARG A 79 -33.355 -10.215 -11.910 1.00 2.93 H new ATOM 0 HH21 ARG A 79 -32.608 -6.780 -12.209 1.00 2.99 H new ATOM 0 HH22 ARG A 79 -33.477 -8.009 -11.284 1.00 2.99 H new ATOM 1291 N LEU A 80 -26.761 -10.106 -12.877 1.00 0.54 N ATOM 1292 CA LEU A 80 -26.442 -11.320 -12.117 1.00 0.68 C ATOM 1293 C LEU A 80 -27.611 -12.308 -12.187 1.00 0.84 C ATOM 1294 O LEU A 80 -28.479 -12.203 -13.064 1.00 1.06 O ATOM 1295 CB LEU A 80 -26.145 -10.947 -10.654 1.00 0.82 C ATOM 1296 CG LEU A 80 -24.788 -10.251 -10.472 1.00 0.82 C ATOM 1297 CD1 LEU A 80 -24.330 -10.388 -9.016 1.00 1.06 C ATOM 1298 CD2 LEU A 80 -23.724 -10.814 -11.423 1.00 1.26 C ATOM 0 H LEU A 80 -27.042 -9.313 -12.301 1.00 0.54 H new ATOM 0 HA LEU A 80 -25.562 -11.795 -12.550 1.00 0.68 H new ATOM 0 HB2 LEU A 80 -26.935 -10.292 -10.285 1.00 0.82 H new ATOM 0 HB3 LEU A 80 -26.168 -11.850 -10.043 1.00 0.82 H new ATOM 0 HG LEU A 80 -24.914 -9.197 -10.717 1.00 0.82 H new ATOM 0 HD11 LEU A 80 -23.367 -9.893 -8.889 1.00 1.06 H new ATOM 0 HD12 LEU A 80 -25.065 -9.925 -8.358 1.00 1.06 H new ATOM 0 HD13 LEU A 80 -24.232 -11.444 -8.763 1.00 1.06 H new ATOM 0 HD21 LEU A 80 -22.780 -10.294 -11.261 1.00 1.26 H new ATOM 0 HD22 LEU A 80 -23.590 -11.878 -11.230 1.00 1.26 H new ATOM 0 HD23 LEU A 80 -24.045 -10.670 -12.455 1.00 1.26 H new ATOM 1310 N SER A 81 -27.640 -13.255 -11.248 1.00 1.01 N ATOM 1311 CA SER A 81 -28.693 -14.259 -11.170 1.00 1.23 C ATOM 1312 C SER A 81 -30.069 -13.583 -11.105 1.00 1.40 C ATOM 1313 O SER A 81 -30.998 -13.984 -11.813 1.00 1.92 O ATOM 1314 CB SER A 81 -28.452 -15.149 -9.942 1.00 1.52 C ATOM 1315 OG SER A 81 -28.336 -16.516 -10.322 1.00 2.18 O ATOM 0 H SER A 81 -26.931 -13.344 -10.520 1.00 1.01 H new ATOM 0 HA SER A 81 -28.674 -14.883 -12.064 1.00 1.23 H new ATOM 0 HB2 SER A 81 -27.544 -14.831 -9.430 1.00 1.52 H new ATOM 0 HB3 SER A 81 -29.274 -15.032 -9.236 1.00 1.52 H new ATOM 0 HG SER A 81 -27.592 -16.619 -10.951 1.00 2.18 H new ATOM 1321 N ASP A 82 -30.180 -12.532 -10.287 1.00 1.33 N ATOM 1322 CA ASP A 82 -31.432 -11.781 -10.163 1.00 1.76 C ATOM 1323 C ASP A 82 -31.261 -10.553 -9.266 1.00 1.31 C ATOM 1324 O ASP A 82 -31.447 -9.423 -9.711 1.00 1.74 O ATOM 1325 CB ASP A 82 -32.566 -12.668 -9.611 1.00 2.76 C ATOM 1326 CG ASP A 82 -33.899 -11.917 -9.626 1.00 3.46 C ATOM 1327 OD1 ASP A 82 -34.190 -11.240 -10.632 1.00 3.98 O ATOM 1328 OD2 ASP A 82 -34.654 -12.010 -8.633 1.00 3.77 O ATOM 0 H ASP A 82 -29.420 -12.183 -9.703 1.00 1.33 H new ATOM 0 HA ASP A 82 -31.701 -11.448 -11.165 1.00 1.76 H new ATOM 0 HB2 ASP A 82 -32.648 -13.576 -10.209 1.00 2.76 H new ATOM 0 HB3 ASP A 82 -32.329 -12.977 -8.593 1.00 2.76 H new ATOM 1333 N GLY A 83 -30.962 -10.793 -7.991 1.00 1.09 N ATOM 1334 CA GLY A 83 -30.830 -9.733 -6.983 1.00 1.53 C ATOM 1335 C GLY A 83 -29.566 -8.869 -7.100 1.00 1.31 C ATOM 1336 O GLY A 83 -28.963 -8.530 -6.060 1.00 1.88 O ATOM 0 H GLY A 83 -30.803 -11.731 -7.622 1.00 1.09 H new ATOM 0 HA2 GLY A 83 -31.702 -9.082 -7.048 1.00 1.53 H new ATOM 0 HA3 GLY A 83 -30.847 -10.191 -5.994 1.00 1.53 H new ATOM 1340 N ASN A 84 -29.186 -8.475 -8.336 1.00 0.93 N ATOM 1341 CA ASN A 84 -28.016 -7.605 -8.542 1.00 0.71 C ATOM 1342 C ASN A 84 -27.897 -7.190 -10.011 1.00 0.62 C ATOM 1343 O ASN A 84 -28.056 -8.012 -10.918 1.00 0.65 O ATOM 1344 CB ASN A 84 -26.709 -8.292 -8.089 1.00 0.84 C ATOM 1345 CG ASN A 84 -26.137 -7.645 -6.820 1.00 1.02 C ATOM 1346 OD1 ASN A 84 -25.814 -8.338 -5.855 1.00 1.73 O ATOM 1347 ND2 ASN A 84 -26.006 -6.324 -6.810 1.00 1.32 N ATOM 0 H ASN A 84 -29.668 -8.744 -9.194 1.00 0.93 H new ATOM 0 HA ASN A 84 -28.166 -6.716 -7.930 1.00 0.71 H new ATOM 0 HB2 ASN A 84 -26.899 -9.349 -7.904 1.00 0.84 H new ATOM 0 HB3 ASN A 84 -25.972 -8.236 -8.890 1.00 0.84 H new ATOM 0 HD21 ASN A 84 -25.628 -5.855 -5.987 1.00 1.32 H new ATOM 0 HD22 ASN A 84 -26.283 -5.778 -7.626 1.00 1.32 H new ATOM 1354 N GLU A 85 -27.602 -5.904 -10.230 1.00 0.59 N ATOM 1355 CA GLU A 85 -27.442 -5.334 -11.574 1.00 0.55 C ATOM 1356 C GLU A 85 -26.263 -4.350 -11.577 1.00 0.47 C ATOM 1357 O GLU A 85 -26.192 -3.459 -10.724 1.00 0.60 O ATOM 1358 CB GLU A 85 -28.729 -4.613 -11.979 1.00 0.70 C ATOM 1359 CG GLU A 85 -29.874 -5.603 -12.214 1.00 1.16 C ATOM 1360 CD GLU A 85 -31.038 -4.924 -12.921 1.00 1.18 C ATOM 1361 OE1 GLU A 85 -30.797 -4.125 -13.848 1.00 1.43 O ATOM 1362 OE2 GLU A 85 -32.199 -5.183 -12.544 1.00 1.39 O ATOM 0 H GLU A 85 -27.467 -5.227 -9.479 1.00 0.59 H new ATOM 0 HA GLU A 85 -27.241 -6.132 -12.289 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -29.012 -3.905 -11.200 1.00 0.70 H new ATOM 0 HB3 GLU A 85 -28.554 -4.035 -12.886 1.00 0.70 H new ATOM 0 HG2 GLU A 85 -29.519 -6.442 -12.812 1.00 1.16 H new ATOM 0 HG3 GLU A 85 -30.210 -6.011 -11.261 1.00 1.16 H new ATOM 1369 N TYR A 86 -25.341 -4.510 -12.534 1.00 0.33 N ATOM 1370 CA TYR A 86 -24.159 -3.640 -12.644 1.00 0.31 C ATOM 1371 C TYR A 86 -23.883 -3.260 -14.106 1.00 0.29 C ATOM 1372 O TYR A 86 -24.033 -4.085 -15.007 1.00 0.40 O ATOM 1373 CB TYR A 86 -22.897 -4.357 -12.120 1.00 0.37 C ATOM 1374 CG TYR A 86 -22.981 -4.935 -10.719 1.00 0.41 C ATOM 1375 CD1 TYR A 86 -23.211 -4.114 -9.628 1.00 0.57 C ATOM 1376 CD2 TYR A 86 -22.777 -6.293 -10.522 1.00 0.53 C ATOM 1377 CE1 TYR A 86 -23.236 -4.647 -8.349 1.00 0.67 C ATOM 1378 CE2 TYR A 86 -22.810 -6.824 -9.246 1.00 0.62 C ATOM 1379 CZ TYR A 86 -23.036 -6.000 -8.167 1.00 0.63 C ATOM 1380 OH TYR A 86 -23.044 -6.533 -6.898 1.00 0.77 O ATOM 0 H TYR A 86 -25.390 -5.237 -13.248 1.00 0.33 H new ATOM 0 HA TYR A 86 -24.373 -2.750 -12.052 1.00 0.31 H new ATOM 0 HB2 TYR A 86 -22.653 -5.166 -12.809 1.00 0.37 H new ATOM 0 HB3 TYR A 86 -22.067 -3.652 -12.149 1.00 0.37 H new ATOM 0 HD1 TYR A 86 -23.371 -3.056 -9.774 1.00 0.57 H new ATOM 0 HD2 TYR A 86 -22.592 -6.938 -11.368 1.00 0.53 H new ATOM 0 HE1 TYR A 86 -23.411 -4.006 -7.498 1.00 0.67 H new ATOM 0 HE2 TYR A 86 -22.659 -7.883 -9.096 1.00 0.62 H new ATOM 0 HH TYR A 86 -22.889 -7.499 -6.948 1.00 0.77 H new ATOM 1390 N LEU A 87 -23.394 -2.035 -14.317 1.00 0.24 N ATOM 1391 CA LEU A 87 -22.989 -1.559 -15.647 1.00 0.23 C ATOM 1392 C LEU A 87 -21.466 -1.507 -15.641 1.00 0.22 C ATOM 1393 O LEU A 87 -20.872 -0.968 -14.700 1.00 0.32 O ATOM 1394 CB LEU A 87 -23.531 -0.157 -15.968 1.00 0.26 C ATOM 1395 CG LEU A 87 -25.048 -0.031 -15.805 1.00 0.34 C ATOM 1396 CD1 LEU A 87 -25.534 1.239 -16.503 1.00 0.35 C ATOM 1397 CD2 LEU A 87 -25.787 -1.248 -16.356 1.00 0.38 C ATOM 0 H LEU A 87 -23.267 -1.346 -13.576 1.00 0.24 H new ATOM 0 HA LEU A 87 -23.391 -2.232 -16.404 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -23.043 0.569 -15.318 1.00 0.26 H new ATOM 0 HB3 LEU A 87 -23.262 0.101 -16.992 1.00 0.26 H new ATOM 0 HG LEU A 87 -25.266 0.025 -14.738 1.00 0.34 H new ATOM 0 HD11 LEU A 87 -26.614 1.328 -16.386 1.00 0.35 H new ATOM 0 HD12 LEU A 87 -25.048 2.107 -16.058 1.00 0.35 H new ATOM 0 HD13 LEU A 87 -25.287 1.189 -17.563 1.00 0.35 H new ATOM 0 HD21 LEU A 87 -26.860 -1.115 -16.219 1.00 0.38 H new ATOM 0 HD22 LEU A 87 -25.568 -1.357 -17.418 1.00 0.38 H new ATOM 0 HD23 LEU A 87 -25.462 -2.142 -15.825 1.00 0.38 H new ATOM 1409 N PHE A 88 -20.831 -2.077 -16.661 1.00 0.18 N ATOM 1410 CA PHE A 88 -19.366 -2.106 -16.736 1.00 0.19 C ATOM 1411 C PHE A 88 -18.865 -1.390 -17.988 1.00 0.20 C ATOM 1412 O PHE A 88 -19.327 -1.659 -19.097 1.00 0.27 O ATOM 1413 CB PHE A 88 -18.878 -3.558 -16.708 1.00 0.20 C ATOM 1414 CG PHE A 88 -18.906 -4.153 -15.319 1.00 0.20 C ATOM 1415 CD1 PHE A 88 -17.889 -3.865 -14.427 1.00 0.21 C ATOM 1416 CD2 PHE A 88 -19.947 -4.983 -14.935 1.00 0.24 C ATOM 1417 CE1 PHE A 88 -17.913 -4.403 -13.154 1.00 0.22 C ATOM 1418 CE2 PHE A 88 -19.967 -5.522 -13.662 1.00 0.25 C ATOM 1419 CZ PHE A 88 -18.951 -5.233 -12.771 1.00 0.22 C ATOM 0 H PHE A 88 -21.302 -2.525 -17.447 1.00 0.18 H new ATOM 0 HA PHE A 88 -18.961 -1.578 -15.873 1.00 0.19 H new ATOM 0 HB2 PHE A 88 -19.501 -4.160 -17.370 1.00 0.20 H new ATOM 0 HB3 PHE A 88 -17.861 -3.604 -17.099 1.00 0.20 H new ATOM 0 HD1 PHE A 88 -17.076 -3.220 -14.725 1.00 0.21 H new ATOM 0 HD2 PHE A 88 -20.742 -5.209 -15.630 1.00 0.24 H new ATOM 0 HE1 PHE A 88 -17.120 -4.175 -12.457 1.00 0.22 H new ATOM 0 HE2 PHE A 88 -20.778 -6.170 -13.363 1.00 0.25 H new ATOM 0 HZ PHE A 88 -18.967 -5.655 -11.777 1.00 0.22 H new ATOM 1429 N GLN A 89 -17.910 -0.478 -17.793 1.00 0.23 N ATOM 1430 CA GLN A 89 -17.312 0.300 -18.886 1.00 0.26 C ATOM 1431 C GLN A 89 -15.850 -0.103 -19.069 1.00 0.22 C ATOM 1432 O GLN A 89 -15.071 -0.082 -18.114 1.00 0.25 O ATOM 1433 CB GLN A 89 -17.401 1.801 -18.571 1.00 0.32 C ATOM 1434 CG GLN A 89 -17.009 2.679 -19.774 1.00 0.52 C ATOM 1435 CD GLN A 89 -15.977 3.728 -19.356 1.00 0.75 C ATOM 1436 OE1 GLN A 89 -16.334 4.793 -18.854 1.00 1.34 O ATOM 1437 NE2 GLN A 89 -14.703 3.428 -19.556 1.00 1.63 N ATOM 0 H GLN A 89 -17.528 -0.256 -16.874 1.00 0.23 H new ATOM 0 HA GLN A 89 -17.858 0.096 -19.807 1.00 0.26 H new ATOM 0 HB2 GLN A 89 -18.418 2.045 -18.263 1.00 0.32 H new ATOM 0 HB3 GLN A 89 -16.749 2.032 -17.729 1.00 0.32 H new ATOM 0 HG2 GLN A 89 -16.601 2.055 -20.570 1.00 0.52 H new ATOM 0 HG3 GLN A 89 -17.894 3.171 -20.177 1.00 0.52 H new ATOM 0 HE21 GLN A 89 -14.449 2.533 -19.975 1.00 1.63 H new ATOM 0 HE22 GLN A 89 -13.975 4.091 -19.291 1.00 1.63 H new ATOM 1446 N ALA A 90 -15.488 -0.451 -20.300 1.00 0.22 N ATOM 1447 CA ALA A 90 -14.117 -0.844 -20.636 1.00 0.24 C ATOM 1448 C ALA A 90 -13.368 0.349 -21.235 1.00 0.27 C ATOM 1449 O ALA A 90 -13.981 1.362 -21.591 1.00 0.32 O ATOM 1450 CB ALA A 90 -14.147 -2.000 -21.634 1.00 0.29 C ATOM 0 H ALA A 90 -16.131 -0.470 -21.092 1.00 0.22 H new ATOM 0 HA ALA A 90 -13.600 -1.166 -19.732 1.00 0.24 H new ATOM 0 HB1 ALA A 90 -13.127 -2.292 -21.884 1.00 0.29 H new ATOM 0 HB2 ALA A 90 -14.669 -2.849 -21.192 1.00 0.29 H new ATOM 0 HB3 ALA A 90 -14.666 -1.686 -22.539 1.00 0.29 H new ATOM 1456 N LYS A 91 -12.046 0.234 -21.347 1.00 0.35 N ATOM 1457 CA LYS A 91 -11.218 1.310 -21.910 1.00 0.44 C ATOM 1458 C LYS A 91 -11.176 1.219 -23.442 1.00 0.49 C ATOM 1459 O LYS A 91 -11.232 2.240 -24.135 1.00 0.68 O ATOM 1460 CB LYS A 91 -9.800 1.264 -21.317 1.00 0.65 C ATOM 1461 CG LYS A 91 -8.963 0.105 -21.873 1.00 1.26 C ATOM 1462 CD LYS A 91 -7.721 -0.145 -21.018 1.00 1.43 C ATOM 1463 CE LYS A 91 -6.769 -1.134 -21.693 1.00 1.86 C ATOM 1464 NZ LYS A 91 -7.400 -2.468 -21.878 1.00 2.29 N ATOM 0 H LYS A 91 -11.521 -0.591 -21.057 1.00 0.35 H new ATOM 0 HA LYS A 91 -11.668 2.266 -21.643 1.00 0.44 H new ATOM 0 HB2 LYS A 91 -9.293 2.206 -21.526 1.00 0.65 H new ATOM 0 HB3 LYS A 91 -9.867 1.171 -20.233 1.00 0.65 H new ATOM 0 HG2 LYS A 91 -9.570 -0.800 -21.909 1.00 1.26 H new ATOM 0 HG3 LYS A 91 -8.663 0.329 -22.897 1.00 1.26 H new ATOM 0 HD2 LYS A 91 -7.203 0.798 -20.841 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -8.020 -0.532 -20.044 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -6.462 -0.740 -22.662 1.00 1.86 H new ATOM 0 HE3 LYS A 91 -5.867 -1.239 -21.091 1.00 1.86 H new ATOM 0 HZ1 LYS A 91 -6.671 -3.165 -22.130 1.00 2.29 H new ATOM 0 HZ2 LYS A 91 -7.865 -2.758 -20.994 1.00 2.29 H new ATOM 0 HZ3 LYS A 91 -8.106 -2.415 -22.640 1.00 2.29 H new ATOM 1478 N ASP A 92 -11.076 -0.009 -23.964 1.00 0.49 N ATOM 1479 CA ASP A 92 -11.022 -0.254 -25.412 1.00 0.66 C ATOM 1480 C ASP A 92 -12.023 -1.346 -25.829 1.00 0.59 C ATOM 1481 O ASP A 92 -12.651 -1.996 -24.985 1.00 0.75 O ATOM 1482 CB ASP A 92 -9.585 -0.613 -25.833 1.00 0.84 C ATOM 1483 CG ASP A 92 -9.150 -1.978 -25.301 1.00 1.34 C ATOM 1484 OD1 ASP A 92 -8.598 -2.043 -24.187 1.00 2.01 O ATOM 1485 OD2 ASP A 92 -9.349 -2.986 -26.003 1.00 1.77 O ATOM 0 H ASP A 92 -11.030 -0.857 -23.399 1.00 0.49 H new ATOM 0 HA ASP A 92 -11.312 0.660 -25.931 1.00 0.66 H new ATOM 0 HB2 ASP A 92 -9.516 -0.610 -26.921 1.00 0.84 H new ATOM 0 HB3 ASP A 92 -8.900 0.152 -25.468 1.00 0.84 H new ATOM 1490 N ASP A 93 -12.167 -1.522 -27.144 1.00 0.62 N ATOM 1491 CA ASP A 93 -13.097 -2.503 -27.739 1.00 0.63 C ATOM 1492 C ASP A 93 -12.684 -3.953 -27.459 1.00 0.49 C ATOM 1493 O ASP A 93 -13.542 -4.800 -27.186 1.00 0.54 O ATOM 1494 CB ASP A 93 -13.210 -2.272 -29.259 1.00 0.83 C ATOM 1495 CG ASP A 93 -11.847 -2.346 -29.949 1.00 1.55 C ATOM 1496 OD1 ASP A 93 -10.953 -1.546 -29.599 1.00 2.21 O ATOM 1497 OD2 ASP A 93 -11.667 -3.200 -30.836 1.00 2.13 O ATOM 0 H ASP A 93 -11.642 -0.988 -27.836 1.00 0.62 H new ATOM 0 HA ASP A 93 -14.068 -2.348 -27.268 1.00 0.63 H new ATOM 0 HB2 ASP A 93 -13.877 -3.018 -29.691 1.00 0.83 H new ATOM 0 HB3 ASP A 93 -13.659 -1.297 -29.446 1.00 0.83 H new ATOM 1502 N GLU A 94 -11.385 -4.244 -27.526 1.00 0.41 N ATOM 1503 CA GLU A 94 -10.882 -5.601 -27.275 1.00 0.41 C ATOM 1504 C GLU A 94 -11.133 -5.999 -25.819 1.00 0.36 C ATOM 1505 O GLU A 94 -11.558 -7.119 -25.540 1.00 0.41 O ATOM 1506 CB GLU A 94 -9.383 -5.694 -27.602 1.00 0.49 C ATOM 1507 CG GLU A 94 -8.950 -7.142 -27.868 1.00 1.21 C ATOM 1508 CD GLU A 94 -9.601 -7.680 -29.136 1.00 1.93 C ATOM 1509 OE1 GLU A 94 -9.605 -6.968 -30.157 1.00 2.43 O ATOM 1510 OE2 GLU A 94 -10.124 -8.811 -29.110 1.00 2.59 O ATOM 0 H GLU A 94 -10.661 -3.562 -27.751 1.00 0.41 H new ATOM 0 HA GLU A 94 -11.419 -6.292 -27.925 1.00 0.41 H new ATOM 0 HB2 GLU A 94 -9.162 -5.082 -28.476 1.00 0.49 H new ATOM 0 HB3 GLU A 94 -8.804 -5.287 -26.773 1.00 0.49 H new ATOM 0 HG2 GLU A 94 -7.865 -7.190 -27.963 1.00 1.21 H new ATOM 0 HG3 GLU A 94 -9.224 -7.769 -27.020 1.00 1.21 H new ATOM 1517 N GLU A 95 -10.888 -5.064 -24.899 1.00 0.31 N ATOM 1518 CA GLU A 95 -11.104 -5.296 -23.466 1.00 0.29 C ATOM 1519 C GLU A 95 -12.580 -5.620 -23.199 1.00 0.24 C ATOM 1520 O GLU A 95 -12.897 -6.596 -22.517 1.00 0.23 O ATOM 1521 CB GLU A 95 -10.686 -4.056 -22.672 1.00 0.33 C ATOM 1522 CG GLU A 95 -10.674 -4.317 -21.168 1.00 0.42 C ATOM 1523 CD GLU A 95 -10.267 -3.055 -20.423 1.00 0.84 C ATOM 1524 OE1 GLU A 95 -11.077 -2.110 -20.359 1.00 1.21 O ATOM 1525 OE2 GLU A 95 -9.142 -3.011 -19.889 1.00 1.30 O ATOM 0 H GLU A 95 -10.537 -4.132 -25.121 1.00 0.31 H new ATOM 0 HA GLU A 95 -10.497 -6.144 -23.148 1.00 0.29 H new ATOM 0 HB2 GLU A 95 -9.694 -3.738 -22.993 1.00 0.33 H new ATOM 0 HB3 GLU A 95 -11.370 -3.237 -22.892 1.00 0.33 H new ATOM 0 HG2 GLU A 95 -11.662 -4.641 -20.839 1.00 0.42 H new ATOM 0 HG3 GLU A 95 -9.980 -5.125 -20.937 1.00 0.42 H new ATOM 1532 N MET A 96 -13.475 -4.800 -23.763 1.00 0.24 N ATOM 1533 CA MET A 96 -14.929 -4.986 -23.613 1.00 0.22 C ATOM 1534 C MET A 96 -15.357 -6.364 -24.134 1.00 0.22 C ATOM 1535 O MET A 96 -16.104 -7.083 -23.470 1.00 0.23 O ATOM 1536 CB MET A 96 -15.675 -3.886 -24.380 1.00 0.26 C ATOM 1537 CG MET A 96 -17.150 -3.795 -23.959 1.00 0.39 C ATOM 1538 SD MET A 96 -18.216 -3.232 -25.298 1.00 0.94 S ATOM 1539 CE MET A 96 -18.362 -4.731 -26.289 1.00 0.77 C ATOM 0 H MET A 96 -13.218 -3.994 -24.333 1.00 0.24 H new ATOM 0 HA MET A 96 -15.178 -4.924 -22.554 1.00 0.22 H new ATOM 0 HB2 MET A 96 -15.188 -2.927 -24.205 1.00 0.26 H new ATOM 0 HB3 MET A 96 -15.614 -4.084 -25.450 1.00 0.26 H new ATOM 0 HG2 MET A 96 -17.488 -4.773 -23.617 1.00 0.39 H new ATOM 0 HG3 MET A 96 -17.242 -3.112 -23.114 1.00 0.39 H new ATOM 0 HE1 MET A 96 -18.268 -4.479 -27.345 1.00 0.77 H new ATOM 0 HE2 MET A 96 -17.573 -5.429 -26.011 1.00 0.77 H new ATOM 0 HE3 MET A 96 -19.334 -5.192 -26.111 1.00 0.77 H new ATOM 1549 N ASN A 97 -14.871 -6.723 -25.324 1.00 0.25 N ATOM 1550 CA ASN A 97 -15.189 -8.015 -25.951 1.00 0.28 C ATOM 1551 C ASN A 97 -14.641 -9.180 -25.110 1.00 0.26 C ATOM 1552 O ASN A 97 -15.333 -10.173 -24.894 1.00 0.29 O ATOM 1553 CB ASN A 97 -14.604 -8.057 -27.372 1.00 0.35 C ATOM 1554 CG ASN A 97 -15.129 -9.271 -28.149 1.00 0.49 C ATOM 1555 OD1 ASN A 97 -16.270 -9.279 -28.611 1.00 1.05 O ATOM 1556 ND2 ASN A 97 -14.301 -10.294 -28.295 1.00 1.24 N ATOM 0 H ASN A 97 -14.250 -6.134 -25.879 1.00 0.25 H new ATOM 0 HA ASN A 97 -16.272 -8.121 -26.006 1.00 0.28 H new ATOM 0 HB2 ASN A 97 -14.864 -7.141 -27.903 1.00 0.35 H new ATOM 0 HB3 ASN A 97 -13.516 -8.097 -27.320 1.00 0.35 H new ATOM 0 HD21 ASN A 97 -14.602 -11.125 -28.805 1.00 1.24 H new ATOM 0 HD22 ASN A 97 -13.362 -10.251 -27.898 1.00 1.24 H new ATOM 1563 N THR A 98 -13.403 -9.043 -24.634 1.00 0.25 N ATOM 1564 CA THR A 98 -12.756 -10.072 -23.811 1.00 0.27 C ATOM 1565 C THR A 98 -13.545 -10.325 -22.513 1.00 0.23 C ATOM 1566 O THR A 98 -13.714 -11.475 -22.100 1.00 0.27 O ATOM 1567 CB THR A 98 -11.313 -9.646 -23.492 1.00 0.31 C ATOM 1568 OG1 THR A 98 -10.591 -9.440 -24.700 1.00 0.38 O ATOM 1569 CG2 THR A 98 -10.592 -10.694 -22.642 1.00 0.39 C ATOM 0 H THR A 98 -12.822 -8.223 -24.805 1.00 0.25 H new ATOM 0 HA THR A 98 -12.739 -11.006 -24.373 1.00 0.27 H new ATOM 0 HB THR A 98 -11.359 -8.718 -22.923 1.00 0.31 H new ATOM 0 HG1 THR A 98 -10.969 -8.675 -25.181 1.00 0.38 H new ATOM 0 HG21 THR A 98 -9.575 -10.359 -22.436 1.00 0.39 H new ATOM 0 HG22 THR A 98 -11.126 -10.830 -21.702 1.00 0.39 H new ATOM 0 HG23 THR A 98 -10.560 -11.641 -23.181 1.00 0.39 H new ATOM 1577 N TRP A 99 -14.032 -9.249 -21.882 1.00 0.20 N ATOM 1578 CA TRP A 99 -14.807 -9.361 -20.635 1.00 0.20 C ATOM 1579 C TRP A 99 -16.125 -10.103 -20.881 1.00 0.21 C ATOM 1580 O TRP A 99 -16.443 -11.066 -20.179 1.00 0.24 O ATOM 1581 CB TRP A 99 -15.084 -7.965 -20.048 1.00 0.21 C ATOM 1582 CG TRP A 99 -13.937 -7.428 -19.238 1.00 0.22 C ATOM 1583 CD1 TRP A 99 -13.224 -6.291 -19.489 1.00 0.26 C ATOM 1584 CD2 TRP A 99 -13.368 -8.005 -18.041 1.00 0.22 C ATOM 1585 NE1 TRP A 99 -12.263 -6.154 -18.531 1.00 0.28 N ATOM 1586 CE2 TRP A 99 -12.320 -7.171 -17.635 1.00 0.26 C ATOM 1587 CE3 TRP A 99 -13.639 -9.143 -17.281 1.00 0.23 C ATOM 1588 CZ2 TRP A 99 -11.557 -7.439 -16.513 1.00 0.28 C ATOM 1589 CZ3 TRP A 99 -12.880 -9.418 -16.154 1.00 0.26 C ATOM 1590 CH2 TRP A 99 -11.846 -8.573 -15.774 1.00 0.29 C ATOM 0 H TRP A 99 -13.905 -8.292 -22.212 1.00 0.20 H new ATOM 0 HA TRP A 99 -14.218 -9.932 -19.917 1.00 0.20 H new ATOM 0 HB2 TRP A 99 -15.303 -7.272 -20.861 1.00 0.21 H new ATOM 0 HB3 TRP A 99 -15.974 -8.011 -19.420 1.00 0.21 H new ATOM 0 HD1 TRP A 99 -13.393 -5.612 -20.311 1.00 0.26 H new ATOM 0 HE1 TRP A 99 -11.590 -5.388 -18.493 1.00 0.28 H new ATOM 0 HE3 TRP A 99 -14.439 -9.809 -17.570 1.00 0.23 H new ATOM 0 HZ2 TRP A 99 -10.754 -6.779 -16.220 1.00 0.28 H new ATOM 0 HZ3 TRP A 99 -13.095 -10.298 -15.566 1.00 0.26 H new ATOM 0 HH2 TRP A 99 -11.262 -8.802 -14.895 1.00 0.29 H new ATOM 1601 N ILE A 100 -16.881 -9.655 -21.889 1.00 0.21 N ATOM 1602 CA ILE A 100 -18.170 -10.274 -22.244 1.00 0.24 C ATOM 1603 C ILE A 100 -17.988 -11.752 -22.621 1.00 0.28 C ATOM 1604 O ILE A 100 -18.789 -12.603 -22.226 1.00 0.34 O ATOM 1605 CB ILE A 100 -18.829 -9.487 -23.393 1.00 0.25 C ATOM 1606 CG1 ILE A 100 -19.272 -8.104 -22.896 1.00 0.25 C ATOM 1607 CG2 ILE A 100 -20.031 -10.244 -23.973 1.00 0.30 C ATOM 1608 CD1 ILE A 100 -19.783 -7.225 -24.038 1.00 0.29 C ATOM 0 H ILE A 100 -16.624 -8.863 -22.478 1.00 0.21 H new ATOM 0 HA ILE A 100 -18.826 -10.238 -21.374 1.00 0.24 H new ATOM 0 HB ILE A 100 -18.090 -9.369 -24.186 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -20.057 -8.221 -22.149 1.00 0.25 H new ATOM 0 HG13 ILE A 100 -18.434 -7.610 -22.404 1.00 0.25 H new ATOM 0 HG21 ILE A 100 -20.473 -9.661 -24.781 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -19.702 -11.209 -24.359 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -20.774 -10.401 -23.191 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -20.086 -6.255 -23.643 1.00 0.29 H new ATOM 0 HD12 ILE A 100 -18.990 -7.086 -24.773 1.00 0.29 H new ATOM 0 HD13 ILE A 100 -20.638 -7.707 -24.513 1.00 0.29 H new ATOM 1620 N GLN A 101 -16.923 -12.060 -23.373 1.00 0.29 N ATOM 1621 CA GLN A 101 -16.631 -13.437 -23.792 1.00 0.35 C ATOM 1622 C GLN A 101 -16.247 -14.303 -22.585 1.00 0.36 C ATOM 1623 O GLN A 101 -16.739 -15.426 -22.435 1.00 0.43 O ATOM 1624 CB GLN A 101 -15.493 -13.448 -24.831 1.00 0.40 C ATOM 1625 CG GLN A 101 -15.960 -12.937 -26.198 1.00 0.48 C ATOM 1626 CD GLN A 101 -16.928 -13.928 -26.840 1.00 1.05 C ATOM 1627 OE1 GLN A 101 -16.602 -15.101 -27.016 1.00 1.81 O ATOM 1628 NE2 GLN A 101 -18.116 -13.461 -27.189 1.00 1.76 N ATOM 0 H GLN A 101 -16.247 -11.371 -23.704 1.00 0.29 H new ATOM 0 HA GLN A 101 -17.531 -13.854 -24.245 1.00 0.35 H new ATOM 0 HB2 GLN A 101 -14.670 -12.829 -24.474 1.00 0.40 H new ATOM 0 HB3 GLN A 101 -15.107 -14.462 -24.935 1.00 0.40 H new ATOM 0 HG2 GLN A 101 -16.446 -11.968 -26.083 1.00 0.48 H new ATOM 0 HG3 GLN A 101 -15.099 -12.787 -26.850 1.00 0.48 H new ATOM 0 HE21 GLN A 101 -18.347 -12.481 -27.026 1.00 1.76 H new ATOM 0 HE22 GLN A 101 -18.801 -14.081 -27.621 1.00 1.76 H new ATOM 1637 N ALA A 102 -15.383 -13.768 -21.719 1.00 0.32 N ATOM 1638 CA ALA A 102 -14.938 -14.482 -20.515 1.00 0.37 C ATOM 1639 C ALA A 102 -16.113 -14.751 -19.574 1.00 0.38 C ATOM 1640 O ALA A 102 -16.225 -15.838 -19.007 1.00 0.48 O ATOM 1641 CB ALA A 102 -13.863 -13.671 -19.784 1.00 0.38 C ATOM 0 H ALA A 102 -14.975 -12.839 -21.828 1.00 0.32 H new ATOM 0 HA ALA A 102 -14.517 -15.438 -20.826 1.00 0.37 H new ATOM 0 HB1 ALA A 102 -13.542 -14.212 -18.894 1.00 0.38 H new ATOM 0 HB2 ALA A 102 -13.009 -13.520 -20.444 1.00 0.38 H new ATOM 0 HB3 ALA A 102 -14.272 -12.703 -19.493 1.00 0.38 H new ATOM 1647 N ILE A 103 -16.985 -13.752 -19.420 1.00 0.33 N ATOM 1648 CA ILE A 103 -18.161 -13.863 -18.550 1.00 0.38 C ATOM 1649 C ILE A 103 -19.205 -14.812 -19.155 1.00 0.47 C ATOM 1650 O ILE A 103 -19.913 -15.503 -18.421 1.00 0.55 O ATOM 1651 CB ILE A 103 -18.768 -12.466 -18.304 1.00 0.37 C ATOM 1652 CG1 ILE A 103 -17.796 -11.597 -17.492 1.00 0.35 C ATOM 1653 CG2 ILE A 103 -20.120 -12.550 -17.587 1.00 0.49 C ATOM 1654 CD1 ILE A 103 -18.017 -10.106 -17.750 1.00 0.35 C ATOM 0 H ILE A 103 -16.899 -12.851 -19.890 1.00 0.33 H new ATOM 0 HA ILE A 103 -17.847 -14.282 -17.594 1.00 0.38 H new ATOM 0 HB ILE A 103 -18.936 -12.007 -19.278 1.00 0.37 H new ATOM 0 HG12 ILE A 103 -17.923 -11.805 -16.430 1.00 0.35 H new ATOM 0 HG13 ILE A 103 -16.770 -11.862 -17.748 1.00 0.35 H new ATOM 0 HG21 ILE A 103 -20.513 -11.545 -17.433 1.00 0.49 H new ATOM 0 HG22 ILE A 103 -20.819 -13.124 -18.195 1.00 0.49 H new ATOM 0 HG23 ILE A 103 -19.990 -13.041 -16.622 1.00 0.49 H new ATOM 0 HD11 ILE A 103 -17.310 -9.525 -17.157 1.00 0.35 H new ATOM 0 HD12 ILE A 103 -17.864 -9.893 -18.808 1.00 0.35 H new ATOM 0 HD13 ILE A 103 -19.035 -9.835 -17.469 1.00 0.35 H new ATOM 1666 N SER A 104 -19.289 -14.860 -20.491 1.00 0.53 N ATOM 1667 CA SER A 104 -20.233 -15.748 -21.179 1.00 0.66 C ATOM 1668 C SER A 104 -19.867 -17.215 -20.919 1.00 0.72 C ATOM 1669 O SER A 104 -20.742 -18.054 -20.682 1.00 0.89 O ATOM 1670 CB SER A 104 -20.226 -15.456 -22.683 1.00 0.81 C ATOM 1671 OG SER A 104 -20.817 -14.189 -22.952 1.00 1.05 O ATOM 0 H SER A 104 -18.715 -14.294 -21.116 1.00 0.53 H new ATOM 0 HA SER A 104 -21.235 -15.567 -20.791 1.00 0.66 H new ATOM 0 HB2 SER A 104 -19.202 -15.472 -23.057 1.00 0.81 H new ATOM 0 HB3 SER A 104 -20.771 -16.237 -23.213 1.00 0.81 H new ATOM 0 HG SER A 104 -20.242 -13.478 -22.598 1.00 1.05 H new ATOM 1677 N SER A 105 -18.564 -17.510 -20.942 1.00 0.80 N ATOM 1678 CA SER A 105 -18.062 -18.861 -20.693 1.00 1.13 C ATOM 1679 C SER A 105 -18.080 -19.161 -19.185 1.00 1.23 C ATOM 1680 O SER A 105 -18.920 -19.924 -18.714 1.00 1.61 O ATOM 1681 CB SER A 105 -16.638 -19.002 -21.254 1.00 1.48 C ATOM 1682 OG SER A 105 -16.555 -18.468 -22.570 1.00 1.63 O ATOM 0 H SER A 105 -17.834 -16.824 -21.132 1.00 0.80 H new ATOM 0 HA SER A 105 -18.708 -19.581 -21.196 1.00 1.13 H new ATOM 0 HB2 SER A 105 -15.933 -18.485 -20.602 1.00 1.48 H new ATOM 0 HB3 SER A 105 -16.350 -20.053 -21.265 1.00 1.48 H new ATOM 0 HG SER A 105 -16.567 -17.489 -22.527 1.00 1.63 H new ATOM 1688 N ALA A 106 -17.156 -18.545 -18.443 1.00 1.29 N ATOM 1689 CA ALA A 106 -17.035 -18.715 -16.993 1.00 1.59 C ATOM 1690 C ALA A 106 -15.687 -18.160 -16.540 1.00 2.40 C ATOM 1691 O ALA A 106 -15.642 -17.463 -15.513 1.00 3.00 O ATOM 1692 CB ALA A 106 -17.140 -20.193 -16.607 1.00 1.90 C ATOM 1693 OXT ALA A 106 -14.667 -18.440 -17.213 1.00 3.05 O ATOM 0 H ALA A 106 -16.464 -17.908 -18.836 1.00 1.29 H new ATOM 0 HA ALA A 106 -17.847 -18.176 -16.504 1.00 1.59 H new ATOM 0 HB1 ALA A 106 -17.047 -20.294 -15.526 1.00 1.90 H new ATOM 0 HB2 ALA A 106 -18.106 -20.585 -16.927 1.00 1.90 H new ATOM 0 HB3 ALA A 106 -16.342 -20.754 -17.094 1.00 1.90 H new TER 1699 ALA A 106