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= 0.667 K(o=1.9,f=0.5!) USER MOD Set 1.2: A 86 TYR OH : rot 76:sc= 1.22 USER MOD Set 2.1: A 9 HIS : no HE2:sc= 0.696 K(o=0.7,f=-11!) USER MOD Set 2.2: A 20 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 19 SER OG : rot -160:sc= 0 USER MOD Single : A 1 MET CE :methyl -135:sc= -0.0154 (180deg=-0.907) USER MOD Single : A 1 MET N :NH3+ -154:sc= -0.0148 (180deg=-0.351) USER MOD Single : A 6 ASN : amide:sc= -0.0541 X(o=-0.054,f=-0.2) USER MOD Single : A 8 LYS NZ :NH3+ 154:sc= 1.27 (180deg=1.09) USER MOD Single : A 14 HIS : no HD1:sc= -0.0144 K(o=-0.014,f=-1.2!) USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 16 LYS NZ :NH3+ -111:sc= 0 (180deg=-1.1) USER MOD Single : A 22 SER OG : rot 180:sc= 0.0924 USER MOD Single : A 24 HIS : no HE2:sc= 1.55 K(o=1.5,f=-9.6!) USER MOD Single : A 25 ASN : amide:sc=-0.000608 K(o=-0.00061,f=-1.6!) USER MOD Single : A 27 TYR OH : rot 165:sc= -0.0129 USER MOD Single : A 28 CYS SG : rot -69:sc= 0.355 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 32 ASN : amide:sc= -0.053 K(o=-0.053,f=-1.8!) USER MOD Single : A 33 GLN : amide:sc= 1.01 K(o=1,f=-0.34) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) 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+ -164:sc= -0.357 (180deg=-0.721) USER MOD Single : A 43 SER OG : rot 96:sc= 1.15 USER MOD Single : A 46 SER OG : rot 82:sc= 0.0779 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 100:sc= 1.25 USER MOD Single : A 57 SER OG : rot 180:sc= 0.023 USER MOD Single : A 59 LYS NZ :NH3+ -165:sc= 1.18 (180deg=0.936) USER MOD Single : A 63 CYS SG : rot 49:sc= -1.11 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 151:sc= 0.866 (180deg=0.229) USER MOD Single : A 73 LYS NZ :NH3+ 160:sc= -0.0375 (180deg=-0.258) USER MOD Single : A 74 HIS : no HD1:sc= -0.461 X(o=-0.46,f=-0.41) USER MOD Single : A 77 LYS NZ :NH3+ 142:sc= 1.29 (180deg=-0.049) USER MOD Single : A 81 SER OG : rot 117:sc= 0.238 USER MOD Single : A 89 GLN : amide:sc= 0.426 K(o=0.43,f=-5.1!) USER MOD Single : A 91 LYS NZ :NH3+ -107:sc= 0.286 (180deg=-3.76!) USER MOD Single : A 96 MET CE :methyl 155:sc= -0.208 (180deg=-0.879) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 89:sc= 1.26 USER MOD Single : A 101 GLN : amide:sc= -0.0898 K(o=-0.09,f=-1.4) USER MOD Single : A 104 SER OG : rot 82:sc= 0.0624 USER MOD Single : A 105 SER OG : rot 77:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.589 -12.234 -17.916 1.00 1.74 N ATOM 2 CA MET A 1 -9.002 -11.841 -17.647 1.00 1.02 C ATOM 3 C MET A 1 -9.046 -10.708 -16.620 1.00 0.87 C ATOM 4 O MET A 1 -9.735 -9.708 -16.820 1.00 1.29 O ATOM 5 CB MET A 1 -9.829 -13.026 -17.125 1.00 1.60 C ATOM 6 CG MET A 1 -9.801 -14.216 -18.091 1.00 2.33 C ATOM 7 SD MET A 1 -9.023 -15.668 -17.362 1.00 3.31 S ATOM 8 CE MET A 1 -10.454 -16.499 -16.654 1.00 4.33 C ATOM 0 H1 MET A 1 -7.519 -12.647 -18.868 1.00 1.74 H new ATOM 0 H2 MET A 1 -6.978 -11.395 -17.856 1.00 1.74 H new ATOM 0 H3 MET A 1 -7.284 -12.935 -17.211 1.00 1.74 H new ATOM 0 HA MET A 1 -9.434 -11.507 -18.590 1.00 1.02 H new ATOM 0 HB2 MET A 1 -9.443 -13.338 -16.154 1.00 1.60 H new ATOM 0 HB3 MET A 1 -10.860 -12.708 -16.971 1.00 1.60 H new ATOM 0 HG2 MET A 1 -10.820 -14.463 -18.389 1.00 2.33 H new ATOM 0 HG3 MET A 1 -9.263 -13.934 -18.996 1.00 2.33 H new ATOM 0 HE1 MET A 1 -10.217 -16.835 -15.645 1.00 4.33 H new ATOM 0 HE2 MET A 1 -11.295 -15.807 -16.618 1.00 4.33 H new ATOM 0 HE3 MET A 1 -10.717 -17.359 -17.270 1.00 4.33 H new ATOM 20 N GLU A 2 -8.320 -10.892 -15.515 1.00 0.51 N ATOM 21 CA GLU A 2 -8.259 -9.923 -14.410 1.00 0.37 C ATOM 22 C GLU A 2 -7.755 -8.551 -14.883 1.00 0.34 C ATOM 23 O GLU A 2 -6.887 -8.459 -15.759 1.00 0.48 O ATOM 24 CB GLU A 2 -7.322 -10.456 -13.310 1.00 0.53 C ATOM 25 CG GLU A 2 -7.993 -11.517 -12.433 1.00 0.96 C ATOM 26 CD GLU A 2 -8.504 -12.690 -13.263 1.00 1.61 C ATOM 27 OE1 GLU A 2 -7.687 -13.337 -13.949 1.00 2.09 O ATOM 28 OE2 GLU A 2 -9.720 -12.963 -13.234 1.00 2.16 O ATOM 0 H GLU A 2 -7.752 -11.724 -15.357 1.00 0.51 H new ATOM 0 HA GLU A 2 -9.269 -9.797 -14.021 1.00 0.37 H new ATOM 0 HB2 GLU A 2 -6.430 -10.881 -13.771 1.00 0.53 H new ATOM 0 HB3 GLU A 2 -6.993 -9.627 -12.684 1.00 0.53 H new ATOM 0 HG2 GLU A 2 -7.282 -11.879 -11.690 1.00 0.96 H new ATOM 0 HG3 GLU A 2 -8.823 -11.067 -11.888 1.00 0.96 H new ATOM 35 N GLY A 3 -8.287 -7.492 -14.281 1.00 0.25 N ATOM 36 CA GLY A 3 -7.887 -6.122 -14.609 1.00 0.28 C ATOM 37 C GLY A 3 -8.887 -5.103 -14.058 1.00 0.22 C ATOM 38 O GLY A 3 -9.801 -5.451 -13.302 1.00 0.22 O ATOM 0 H GLY A 3 -9.003 -7.555 -13.557 1.00 0.25 H new ATOM 0 HA2 GLY A 3 -6.897 -5.922 -14.198 1.00 0.28 H new ATOM 0 HA3 GLY A 3 -7.812 -6.012 -15.691 1.00 0.28 H new ATOM 42 N PHE A 4 -8.695 -3.841 -14.434 1.00 0.24 N ATOM 43 CA PHE A 4 -9.555 -2.743 -13.983 1.00 0.21 C ATOM 44 C PHE A 4 -10.795 -2.611 -14.868 1.00 0.22 C ATOM 45 O PHE A 4 -10.772 -2.951 -16.051 1.00 0.27 O ATOM 46 CB PHE A 4 -8.766 -1.430 -13.995 1.00 0.23 C ATOM 47 CG PHE A 4 -7.943 -1.235 -12.747 1.00 0.26 C ATOM 48 CD1 PHE A 4 -8.562 -0.847 -11.573 1.00 0.30 C ATOM 49 CD2 PHE A 4 -6.572 -1.449 -12.768 1.00 0.34 C ATOM 50 CE1 PHE A 4 -7.818 -0.671 -10.424 1.00 0.37 C ATOM 51 CE2 PHE A 4 -5.828 -1.271 -11.616 1.00 0.41 C ATOM 52 CZ PHE A 4 -6.452 -0.882 -10.442 1.00 0.41 C ATOM 0 H PHE A 4 -7.943 -3.548 -15.057 1.00 0.24 H new ATOM 0 HA PHE A 4 -9.885 -2.964 -12.968 1.00 0.21 H new ATOM 0 HB2 PHE A 4 -8.109 -1.413 -14.865 1.00 0.23 H new ATOM 0 HB3 PHE A 4 -9.459 -0.595 -14.103 1.00 0.23 H new ATOM 0 HD1 PHE A 4 -9.629 -0.681 -11.555 1.00 0.30 H new ATOM 0 HD2 PHE A 4 -6.087 -1.754 -13.683 1.00 0.34 H new ATOM 0 HE1 PHE A 4 -8.304 -0.368 -9.509 1.00 0.37 H new ATOM 0 HE2 PHE A 4 -4.761 -1.435 -11.632 1.00 0.41 H new ATOM 0 HZ PHE A 4 -5.872 -0.744 -9.542 1.00 0.41 H new ATOM 62 N LEU A 5 -11.869 -2.105 -14.274 1.00 0.19 N ATOM 63 CA LEU A 5 -13.143 -1.900 -14.965 1.00 0.21 C ATOM 64 C LEU A 5 -13.916 -0.775 -14.280 1.00 0.20 C ATOM 65 O LEU A 5 -13.875 -0.640 -13.053 1.00 0.21 O ATOM 66 CB LEU A 5 -13.993 -3.186 -14.910 1.00 0.23 C ATOM 67 CG LEU A 5 -13.844 -4.054 -16.161 1.00 0.24 C ATOM 68 CD1 LEU A 5 -14.673 -5.334 -16.018 1.00 0.27 C ATOM 69 CD2 LEU A 5 -14.256 -3.280 -17.415 1.00 0.31 C ATOM 0 H LEU A 5 -11.884 -1.823 -13.294 1.00 0.19 H new ATOM 0 HA LEU A 5 -12.940 -1.642 -16.004 1.00 0.21 H new ATOM 0 HB2 LEU A 5 -13.706 -3.768 -14.034 1.00 0.23 H new ATOM 0 HB3 LEU A 5 -15.042 -2.917 -14.784 1.00 0.23 H new ATOM 0 HG LEU A 5 -12.794 -4.329 -16.267 1.00 0.24 H new ATOM 0 HD11 LEU A 5 -14.559 -5.943 -16.914 1.00 0.27 H new ATOM 0 HD12 LEU A 5 -14.327 -5.896 -15.151 1.00 0.27 H new ATOM 0 HD13 LEU A 5 -15.724 -5.074 -15.887 1.00 0.27 H new ATOM 0 HD21 LEU A 5 -14.141 -3.919 -18.291 1.00 0.31 H new ATOM 0 HD22 LEU A 5 -15.297 -2.970 -17.326 1.00 0.31 H new ATOM 0 HD23 LEU A 5 -13.623 -2.399 -17.523 1.00 0.31 H new ATOM 81 N ASN A 6 -14.670 -0.004 -15.058 1.00 0.22 N ATOM 82 CA ASN A 6 -15.506 1.063 -14.505 1.00 0.23 C ATOM 83 C ASN A 6 -16.817 0.412 -14.089 1.00 0.22 C ATOM 84 O ASN A 6 -17.387 -0.354 -14.866 1.00 0.26 O ATOM 85 CB ASN A 6 -15.734 2.178 -15.546 1.00 0.28 C ATOM 86 CG ASN A 6 -15.274 3.531 -15.005 1.00 0.72 C ATOM 87 OD1 ASN A 6 -15.604 3.903 -13.881 1.00 1.49 O ATOM 88 ND2 ASN A 6 -14.519 4.270 -15.803 1.00 1.24 N ATOM 0 H ASN A 6 -14.721 -0.096 -16.073 1.00 0.22 H new ATOM 0 HA ASN A 6 -15.025 1.539 -13.650 1.00 0.23 H new ATOM 0 HB2 ASN A 6 -15.190 1.944 -16.461 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -16.791 2.227 -15.807 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -14.190 5.184 -15.491 1.00 1.24 H new ATOM 0 HD22 ASN A 6 -14.267 3.926 -16.729 1.00 1.24 H new ATOM 95 N ARG A 7 -17.270 0.663 -12.861 1.00 0.23 N ATOM 96 CA ARG A 7 -18.499 0.043 -12.350 1.00 0.24 C ATOM 97 C ARG A 7 -19.519 1.093 -11.917 1.00 0.25 C ATOM 98 O ARG A 7 -19.174 2.107 -11.307 1.00 0.32 O ATOM 99 CB ARG A 7 -18.161 -0.879 -11.167 1.00 0.28 C ATOM 100 CG ARG A 7 -19.279 -1.895 -10.898 1.00 0.34 C ATOM 101 CD ARG A 7 -18.999 -2.722 -9.637 1.00 0.54 C ATOM 102 NE ARG A 7 -19.255 -1.925 -8.435 1.00 0.95 N ATOM 103 CZ ARG A 7 -19.390 -2.472 -7.227 1.00 1.16 C ATOM 104 NH1 ARG A 7 -20.164 -3.538 -7.061 1.00 1.46 N ATOM 105 NH2 ARG A 7 -18.724 -1.961 -6.202 1.00 1.71 N ATOM 0 H ARG A 7 -16.808 1.289 -12.201 1.00 0.23 H new ATOM 0 HA ARG A 7 -18.943 -0.541 -13.156 1.00 0.24 H new ATOM 0 HB2 ARG A 7 -17.231 -1.408 -11.373 1.00 0.28 H new ATOM 0 HB3 ARG A 7 -17.994 -0.277 -10.274 1.00 0.28 H new ATOM 0 HG2 ARG A 7 -20.228 -1.371 -10.787 1.00 0.34 H new ATOM 0 HG3 ARG A 7 -19.381 -2.561 -11.755 1.00 0.34 H new ATOM 0 HD2 ARG A 7 -19.628 -3.612 -9.631 1.00 0.54 H new ATOM 0 HD3 ARG A 7 -17.964 -3.063 -9.641 1.00 0.54 H new ATOM 0 HE ARG A 7 -19.333 -0.912 -8.526 1.00 0.95 H new ATOM 0 HH11 ARG A 7 -20.657 -3.940 -7.859 1.00 1.46 H new ATOM 0 HH12 ARG A 7 -20.266 -3.955 -6.136 1.00 1.46 H new ATOM 0 HH21 ARG A 7 -18.114 -1.155 -6.341 1.00 1.71 H new ATOM 0 HH22 ARG A 7 -18.821 -2.373 -5.274 1.00 1.71 H new ATOM 119 N LYS A 8 -20.781 0.809 -12.225 1.00 0.27 N ATOM 120 CA LYS A 8 -21.908 1.667 -11.879 1.00 0.29 C ATOM 121 C LYS A 8 -23.118 0.775 -11.635 1.00 0.29 C ATOM 122 O LYS A 8 -23.651 0.172 -12.568 1.00 0.38 O ATOM 123 CB LYS A 8 -22.186 2.663 -13.011 1.00 0.36 C ATOM 124 CG LYS A 8 -23.281 3.677 -12.646 1.00 0.37 C ATOM 125 CD LYS A 8 -24.282 3.865 -13.797 1.00 0.50 C ATOM 126 CE LYS A 8 -25.609 3.151 -13.523 1.00 0.62 C ATOM 127 NZ LYS A 8 -26.481 3.937 -12.607 1.00 1.02 N ATOM 0 H LYS A 8 -21.053 -0.035 -12.729 1.00 0.27 H new ATOM 0 HA LYS A 8 -21.685 2.244 -10.982 1.00 0.29 H new ATOM 0 HB2 LYS A 8 -21.267 3.197 -13.255 1.00 0.36 H new ATOM 0 HB3 LYS A 8 -22.484 2.117 -13.906 1.00 0.36 H new ATOM 0 HG2 LYS A 8 -23.809 3.338 -11.755 1.00 0.37 H new ATOM 0 HG3 LYS A 8 -22.823 4.635 -12.400 1.00 0.37 H new ATOM 0 HD2 LYS A 8 -24.467 4.929 -13.947 1.00 0.50 H new ATOM 0 HD3 LYS A 8 -23.848 3.483 -14.721 1.00 0.50 H new ATOM 0 HE2 LYS A 8 -26.131 2.980 -14.464 1.00 0.62 H new ATOM 0 HE3 LYS A 8 -25.412 2.172 -13.086 1.00 0.62 H new ATOM 0 HZ1 LYS A 8 -27.477 3.690 -12.779 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -26.235 3.718 -11.621 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -26.341 4.953 -12.781 1.00 1.02 H new ATOM 141 N HIS A 9 -23.534 0.664 -10.379 1.00 0.43 N ATOM 142 CA HIS A 9 -24.673 -0.188 -10.018 1.00 0.52 C ATOM 143 C HIS A 9 -26.005 0.512 -10.310 1.00 0.58 C ATOM 144 O HIS A 9 -26.233 1.646 -9.893 1.00 0.73 O ATOM 145 CB HIS A 9 -24.588 -0.632 -8.543 1.00 0.68 C ATOM 146 CG HIS A 9 -24.604 0.474 -7.523 1.00 0.88 C ATOM 147 ND1 HIS A 9 -24.801 0.247 -6.186 1.00 1.21 N ATOM 148 CD2 HIS A 9 -24.427 1.814 -7.625 1.00 1.22 C ATOM 149 CE1 HIS A 9 -24.746 1.361 -5.504 1.00 1.69 C ATOM 150 NE2 HIS A 9 -24.522 2.350 -6.353 1.00 1.75 N ATOM 0 H HIS A 9 -23.105 1.150 -9.592 1.00 0.43 H new ATOM 0 HA HIS A 9 -24.628 -1.083 -10.639 1.00 0.52 H new ATOM 0 HB2 HIS A 9 -25.422 -1.303 -8.337 1.00 0.68 H new ATOM 0 HB3 HIS A 9 -23.674 -1.210 -8.410 1.00 0.68 H new ATOM 0 HD1 HIS A 9 -24.969 -0.672 -5.776 1.00 1.21 H new ATOM 0 HD2 HIS A 9 -24.245 2.365 -8.536 1.00 1.22 H new ATOM 0 HE1 HIS A 9 -24.863 1.457 -4.435 1.00 1.69 H new ATOM 158 N GLU A 10 -26.878 -0.180 -11.034 1.00 0.60 N ATOM 159 CA GLU A 10 -28.197 0.350 -11.391 1.00 0.73 C ATOM 160 C GLU A 10 -29.258 -0.233 -10.459 1.00 0.83 C ATOM 161 O GLU A 10 -30.182 0.467 -10.042 1.00 1.00 O ATOM 162 CB GLU A 10 -28.511 0.012 -12.861 1.00 0.79 C ATOM 163 CG GLU A 10 -29.853 0.602 -13.330 1.00 1.28 C ATOM 164 CD GLU A 10 -29.824 2.130 -13.344 1.00 1.19 C ATOM 165 OE1 GLU A 10 -28.760 2.723 -13.066 1.00 1.52 O ATOM 166 OE2 GLU A 10 -30.867 2.745 -13.635 1.00 1.72 O ATOM 0 H GLU A 10 -26.697 -1.119 -11.390 1.00 0.60 H new ATOM 0 HA GLU A 10 -28.199 1.434 -11.278 1.00 0.73 H new ATOM 0 HB2 GLU A 10 -27.710 0.391 -13.496 1.00 0.79 H new ATOM 0 HB3 GLU A 10 -28.531 -1.071 -12.985 1.00 0.79 H new ATOM 0 HG2 GLU A 10 -30.083 0.233 -14.329 1.00 1.28 H new ATOM 0 HG3 GLU A 10 -30.651 0.259 -12.672 1.00 1.28 H new ATOM 173 N TRP A 11 -29.121 -1.515 -10.132 1.00 0.82 N ATOM 174 CA TRP A 11 -30.066 -2.192 -9.252 1.00 0.96 C ATOM 175 C TRP A 11 -29.396 -3.394 -8.574 1.00 0.94 C ATOM 176 O TRP A 11 -28.555 -4.074 -9.160 1.00 0.84 O ATOM 177 CB TRP A 11 -31.290 -2.637 -10.073 1.00 1.08 C ATOM 178 CG TRP A 11 -32.383 -3.265 -9.251 1.00 1.26 C ATOM 179 CD1 TRP A 11 -33.264 -2.626 -8.420 1.00 1.54 C ATOM 180 CD2 TRP A 11 -32.706 -4.670 -9.181 1.00 1.26 C ATOM 181 NE1 TRP A 11 -34.094 -3.558 -7.866 1.00 1.67 N ATOM 182 CE2 TRP A 11 -33.783 -4.810 -8.303 1.00 1.51 C ATOM 183 CE3 TRP A 11 -32.184 -5.818 -9.781 1.00 1.19 C ATOM 184 CZ2 TRP A 11 -34.340 -6.046 -8.013 1.00 1.62 C ATOM 185 CZ3 TRP A 11 -32.733 -7.055 -9.497 1.00 1.35 C ATOM 186 CH2 TRP A 11 -33.805 -7.168 -8.621 1.00 1.53 C ATOM 0 H TRP A 11 -28.361 -2.107 -10.466 1.00 0.82 H new ATOM 0 HA TRP A 11 -30.392 -1.507 -8.469 1.00 0.96 H new ATOM 0 HB2 TRP A 11 -31.696 -1.773 -10.599 1.00 1.08 H new ATOM 0 HB3 TRP A 11 -30.966 -3.349 -10.832 1.00 1.08 H new ATOM 0 HD1 TRP A 11 -33.297 -1.563 -8.234 1.00 1.54 H new ATOM 0 HE1 TRP A 11 -34.847 -3.345 -7.212 1.00 1.67 H new ATOM 0 HE3 TRP A 11 -31.353 -5.740 -10.466 1.00 1.19 H new ATOM 0 HZ2 TRP A 11 -35.171 -6.131 -7.329 1.00 1.62 H new ATOM 0 HZ3 TRP A 11 -32.325 -7.941 -9.960 1.00 1.35 H new ATOM 0 HH2 TRP A 11 -34.225 -8.141 -8.412 1.00 1.53 H new ATOM 197 N GLU A 12 -29.811 -3.649 -7.341 1.00 1.16 N ATOM 198 CA GLU A 12 -29.324 -4.771 -6.529 1.00 1.26 C ATOM 199 C GLU A 12 -30.227 -4.885 -5.304 1.00 1.56 C ATOM 200 O GLU A 12 -30.650 -5.978 -4.918 1.00 2.03 O ATOM 201 CB GLU A 12 -27.845 -4.599 -6.122 1.00 1.34 C ATOM 202 CG GLU A 12 -27.505 -3.181 -5.650 1.00 1.63 C ATOM 203 CD GLU A 12 -26.037 -3.101 -5.232 1.00 1.81 C ATOM 204 OE1 GLU A 12 -25.378 -4.157 -5.116 1.00 2.05 O ATOM 205 OE2 GLU A 12 -25.540 -1.982 -5.014 1.00 2.09 O ATOM 0 H GLU A 12 -30.507 -3.077 -6.863 1.00 1.16 H new ATOM 0 HA GLU A 12 -29.364 -5.688 -7.117 1.00 1.26 H new ATOM 0 HB2 GLU A 12 -27.610 -5.305 -5.325 1.00 1.34 H new ATOM 0 HB3 GLU A 12 -27.210 -4.854 -6.971 1.00 1.34 H new ATOM 0 HG2 GLU A 12 -27.702 -2.467 -6.449 1.00 1.63 H new ATOM 0 HG3 GLU A 12 -28.145 -2.906 -4.812 1.00 1.63 H new ATOM 212 N ALA A 13 -30.563 -3.728 -4.736 1.00 1.77 N ATOM 213 CA ALA A 13 -31.464 -3.639 -3.591 1.00 2.14 C ATOM 214 C ALA A 13 -32.894 -3.530 -4.118 1.00 2.15 C ATOM 215 O ALA A 13 -33.178 -2.695 -4.982 1.00 2.54 O ATOM 216 CB ALA A 13 -31.118 -2.411 -2.744 1.00 2.70 C ATOM 0 H ALA A 13 -30.217 -2.824 -5.059 1.00 1.77 H new ATOM 0 HA ALA A 13 -31.363 -4.524 -2.963 1.00 2.14 H new ATOM 0 HB1 ALA A 13 -31.796 -2.354 -1.892 1.00 2.70 H new ATOM 0 HB2 ALA A 13 -30.092 -2.493 -2.386 1.00 2.70 H new ATOM 0 HB3 ALA A 13 -31.220 -1.511 -3.350 1.00 2.70 H new ATOM 222 N HIS A 14 -33.786 -4.379 -3.612 1.00 2.38 N ATOM 223 CA HIS A 14 -35.192 -4.387 -4.042 1.00 2.81 C ATOM 224 C HIS A 14 -35.910 -3.132 -3.539 1.00 2.77 C ATOM 225 O HIS A 14 -36.338 -3.059 -2.387 1.00 3.31 O ATOM 226 CB HIS A 14 -35.924 -5.671 -3.573 1.00 3.51 C ATOM 227 CG HIS A 14 -35.424 -6.250 -2.276 1.00 3.99 C ATOM 228 ND1 HIS A 14 -34.342 -7.089 -2.200 1.00 4.73 N ATOM 229 CD2 HIS A 14 -35.859 -6.122 -0.996 1.00 4.33 C ATOM 230 CE1 HIS A 14 -34.118 -7.459 -0.966 1.00 5.34 C ATOM 231 NE2 HIS A 14 -35.030 -6.888 -0.195 1.00 5.13 N ATOM 0 H HIS A 14 -33.563 -5.075 -2.900 1.00 2.38 H new ATOM 0 HA HIS A 14 -35.210 -4.384 -5.132 1.00 2.81 H new ATOM 0 HB2 HIS A 14 -36.986 -5.448 -3.469 1.00 3.51 H new ATOM 0 HB3 HIS A 14 -35.832 -6.429 -4.351 1.00 3.51 H new ATOM 0 HD2 HIS A 14 -36.699 -5.530 -0.664 1.00 4.33 H new ATOM 0 HE1 HIS A 14 -33.327 -8.116 -0.634 1.00 5.34 H new ATOM 0 HE2 HIS A 14 -35.108 -6.994 0.816 1.00 5.13 H new ATOM 239 N ASN A 15 -36.018 -2.144 -4.422 1.00 2.64 N ATOM 240 CA ASN A 15 -36.668 -0.870 -4.124 1.00 2.83 C ATOM 241 C ASN A 15 -37.083 -0.226 -5.452 1.00 2.48 C ATOM 242 O ASN A 15 -38.188 -0.467 -5.942 1.00 2.96 O ATOM 243 CB ASN A 15 -35.706 0.034 -3.319 1.00 3.64 C ATOM 244 CG ASN A 15 -36.432 1.265 -2.772 1.00 4.19 C ATOM 245 OD1 ASN A 15 -36.680 2.227 -3.499 1.00 4.25 O ATOM 246 ND2 ASN A 15 -36.762 1.241 -1.490 1.00 4.99 N ATOM 0 H ASN A 15 -35.654 -2.205 -5.373 1.00 2.64 H new ATOM 0 HA ASN A 15 -37.557 -1.018 -3.511 1.00 2.83 H new ATOM 0 HB2 ASN A 15 -35.274 -0.533 -2.494 1.00 3.64 H new ATOM 0 HB3 ASN A 15 -34.880 0.349 -3.956 1.00 3.64 H new ATOM 0 HD21 ASN A 15 -37.240 2.039 -1.071 1.00 4.99 H new ATOM 0 HD22 ASN A 15 -36.539 0.424 -0.921 1.00 4.99 H new ATOM 253 N LYS A 16 -36.181 0.558 -6.042 1.00 2.30 N ATOM 254 CA LYS A 16 -36.414 1.222 -7.330 1.00 2.46 C ATOM 255 C LYS A 16 -35.131 1.161 -8.166 1.00 2.10 C ATOM 256 O LYS A 16 -35.123 0.614 -9.269 1.00 2.44 O ATOM 257 CB LYS A 16 -36.841 2.685 -7.120 1.00 3.26 C ATOM 258 CG LYS A 16 -38.296 2.810 -6.638 1.00 3.87 C ATOM 259 CD LYS A 16 -39.258 3.173 -7.783 1.00 4.83 C ATOM 260 CE LYS A 16 -40.128 1.982 -8.214 1.00 5.52 C ATOM 261 NZ LYS A 16 -39.500 1.206 -9.319 1.00 6.03 N ATOM 0 H LYS A 16 -35.264 0.753 -5.641 1.00 2.30 H new ATOM 0 HA LYS A 16 -37.219 0.708 -7.855 1.00 2.46 H new ATOM 0 HB2 LYS A 16 -36.179 3.152 -6.391 1.00 3.26 H new ATOM 0 HB3 LYS A 16 -36.723 3.232 -8.055 1.00 3.26 H new ATOM 0 HG2 LYS A 16 -38.610 1.869 -6.187 1.00 3.87 H new ATOM 0 HG3 LYS A 16 -38.355 3.572 -5.861 1.00 3.87 H new ATOM 0 HD2 LYS A 16 -39.901 3.994 -7.467 1.00 4.83 H new ATOM 0 HD3 LYS A 16 -38.683 3.529 -8.638 1.00 4.83 H new ATOM 0 HE2 LYS A 16 -40.295 1.326 -7.359 1.00 5.52 H new ATOM 0 HE3 LYS A 16 -41.105 2.343 -8.534 1.00 5.52 H new ATOM 0 HZ1 LYS A 16 -40.051 1.336 -10.191 1.00 6.03 H new ATOM 0 HZ2 LYS A 16 -38.527 1.542 -9.470 1.00 6.03 H new ATOM 0 HZ3 LYS A 16 -39.483 0.197 -9.068 1.00 6.03 H new ATOM 275 N LYS A 17 -34.046 1.710 -7.622 1.00 1.88 N ATOM 276 CA LYS A 17 -32.742 1.716 -8.292 1.00 1.62 C ATOM 277 C LYS A 17 -31.646 2.139 -7.306 1.00 1.62 C ATOM 278 O LYS A 17 -31.916 2.809 -6.305 1.00 2.06 O ATOM 279 CB LYS A 17 -32.758 2.650 -9.517 1.00 1.84 C ATOM 280 CG LYS A 17 -33.339 4.032 -9.192 1.00 2.30 C ATOM 281 CD LYS A 17 -32.817 5.088 -10.168 1.00 2.75 C ATOM 282 CE LYS A 17 -33.591 6.407 -10.054 1.00 3.27 C ATOM 283 NZ LYS A 17 -32.672 7.572 -10.008 1.00 3.75 N ATOM 0 H LYS A 17 -34.043 2.162 -6.708 1.00 1.88 H new ATOM 0 HA LYS A 17 -32.529 0.706 -8.642 1.00 1.62 H new ATOM 0 HB2 LYS A 17 -31.742 2.766 -9.895 1.00 1.84 H new ATOM 0 HB3 LYS A 17 -33.344 2.191 -10.313 1.00 1.84 H new ATOM 0 HG2 LYS A 17 -34.427 3.994 -9.240 1.00 2.30 H new ATOM 0 HG3 LYS A 17 -33.074 4.311 -8.172 1.00 2.30 H new ATOM 0 HD2 LYS A 17 -31.760 5.270 -9.974 1.00 2.75 H new ATOM 0 HD3 LYS A 17 -32.894 4.709 -11.187 1.00 2.75 H new ATOM 0 HE2 LYS A 17 -34.267 6.508 -10.903 1.00 3.27 H new ATOM 0 HE3 LYS A 17 -34.208 6.392 -9.155 1.00 3.27 H new ATOM 0 HZ1 LYS A 17 -33.226 8.449 -9.931 1.00 3.75 H new ATOM 0 HZ2 LYS A 17 -32.044 7.486 -9.184 1.00 3.75 H new ATOM 0 HZ3 LYS A 17 -32.101 7.599 -10.877 1.00 3.75 H new ATOM 297 N ALA A 18 -30.408 1.747 -7.599 1.00 1.43 N ATOM 298 CA ALA A 18 -29.257 2.078 -6.751 1.00 1.61 C ATOM 299 C ALA A 18 -28.551 3.327 -7.280 1.00 1.86 C ATOM 300 O ALA A 18 -28.055 3.338 -8.407 1.00 2.10 O ATOM 301 CB ALA A 18 -28.279 0.897 -6.707 1.00 1.58 C ATOM 0 H ALA A 18 -30.172 1.195 -8.424 1.00 1.43 H new ATOM 0 HA ALA A 18 -29.612 2.280 -5.741 1.00 1.61 H new ATOM 0 HB1 ALA A 18 -27.428 1.152 -6.075 1.00 1.58 H new ATOM 0 HB2 ALA A 18 -28.784 0.021 -6.299 1.00 1.58 H new ATOM 0 HB3 ALA A 18 -27.929 0.677 -7.715 1.00 1.58 H new ATOM 307 N SER A 19 -28.511 4.373 -6.459 1.00 2.24 N ATOM 308 CA SER A 19 -27.869 5.641 -6.823 1.00 2.71 C ATOM 309 C SER A 19 -27.073 6.188 -5.634 1.00 2.85 C ATOM 310 O SER A 19 -27.313 7.305 -5.166 1.00 3.33 O ATOM 311 CB SER A 19 -28.926 6.660 -7.272 1.00 3.28 C ATOM 312 OG SER A 19 -29.753 6.111 -8.295 1.00 3.62 O ATOM 0 H SER A 19 -28.920 4.370 -5.525 1.00 2.24 H new ATOM 0 HA SER A 19 -27.183 5.464 -7.651 1.00 2.71 H new ATOM 0 HB2 SER A 19 -29.539 6.954 -6.420 1.00 3.28 H new ATOM 0 HB3 SER A 19 -28.436 7.562 -7.639 1.00 3.28 H new ATOM 0 HG SER A 19 -30.194 6.837 -8.784 1.00 3.62 H new ATOM 318 N SER A 20 -26.123 5.386 -5.155 1.00 2.92 N ATOM 319 CA SER A 20 -25.263 5.757 -4.024 1.00 3.46 C ATOM 320 C SER A 20 -23.807 5.876 -4.489 1.00 3.36 C ATOM 321 O SER A 20 -23.082 6.771 -4.049 1.00 3.74 O ATOM 322 CB SER A 20 -25.391 4.721 -2.890 1.00 4.13 C ATOM 323 OG SER A 20 -25.731 3.434 -3.395 1.00 4.31 O ATOM 0 H SER A 20 -25.925 4.461 -5.537 1.00 2.92 H new ATOM 0 HA SER A 20 -25.584 6.725 -3.638 1.00 3.46 H new ATOM 0 HB2 SER A 20 -24.450 4.661 -2.342 1.00 4.13 H new ATOM 0 HB3 SER A 20 -26.152 5.048 -2.181 1.00 4.13 H new ATOM 0 HG SER A 20 -25.803 2.799 -2.652 1.00 4.31 H new ATOM 329 N ARG A 21 -23.393 4.976 -5.386 1.00 3.28 N ATOM 330 CA ARG A 21 -22.034 4.968 -5.931 1.00 3.37 C ATOM 331 C ARG A 21 -22.091 5.180 -7.445 1.00 2.30 C ATOM 332 O ARG A 21 -22.600 4.333 -8.180 1.00 2.78 O ATOM 333 CB ARG A 21 -21.335 3.635 -5.606 1.00 4.44 C ATOM 334 CG ARG A 21 -20.431 3.757 -4.378 1.00 5.18 C ATOM 335 CD ARG A 21 -19.264 4.714 -4.636 1.00 5.89 C ATOM 336 NE ARG A 21 -18.064 4.283 -3.919 1.00 6.25 N ATOM 337 CZ ARG A 21 -17.826 4.645 -2.660 1.00 6.92 C ATOM 338 NH1 ARG A 21 -18.538 4.124 -1.662 1.00 7.43 N ATOM 339 NH2 ARG A 21 -16.877 5.531 -2.415 1.00 7.30 N ATOM 0 H ARG A 21 -23.990 4.235 -5.753 1.00 3.28 H new ATOM 0 HA ARG A 21 -21.461 5.776 -5.476 1.00 3.37 H new ATOM 0 HB2 ARG A 21 -22.085 2.864 -5.431 1.00 4.44 H new ATOM 0 HB3 ARG A 21 -20.743 3.315 -6.464 1.00 4.44 H new ATOM 0 HG2 ARG A 21 -21.014 4.113 -3.529 1.00 5.18 H new ATOM 0 HG3 ARG A 21 -20.045 2.774 -4.110 1.00 5.18 H new ATOM 0 HD2 ARG A 21 -19.056 4.760 -5.705 1.00 5.89 H new ATOM 0 HD3 ARG A 21 -19.538 5.721 -4.321 1.00 5.89 H new ATOM 0 HE ARG A 21 -17.389 3.687 -4.398 1.00 6.25 H new ATOM 0 HH11 ARG A 21 -19.271 3.443 -1.860 1.00 7.43 H new ATOM 0 HH12 ARG A 21 -18.350 4.406 -0.700 1.00 7.43 H new ATOM 0 HH21 ARG A 21 -16.338 5.928 -3.185 1.00 7.30 H new ATOM 0 HH22 ARG A 21 -16.683 5.818 -1.456 1.00 7.30 H new ATOM 353 N SER A 22 -21.561 6.311 -7.905 1.00 1.32 N ATOM 354 CA SER A 22 -21.531 6.647 -9.339 1.00 0.74 C ATOM 355 C SER A 22 -20.384 5.885 -10.027 1.00 0.68 C ATOM 356 O SER A 22 -19.730 5.048 -9.401 1.00 1.69 O ATOM 357 CB SER A 22 -21.372 8.176 -9.532 1.00 1.62 C ATOM 358 OG SER A 22 -20.994 8.826 -8.322 1.00 1.86 O ATOM 0 H SER A 22 -21.141 7.020 -7.304 1.00 1.32 H new ATOM 0 HA SER A 22 -22.473 6.347 -9.797 1.00 0.74 H new ATOM 0 HB2 SER A 22 -20.621 8.369 -10.298 1.00 1.62 H new ATOM 0 HB3 SER A 22 -22.311 8.596 -9.892 1.00 1.62 H new ATOM 0 HG SER A 22 -20.902 9.788 -8.483 1.00 1.86 H new ATOM 364 N TRP A 23 -20.148 6.179 -11.309 1.00 0.69 N ATOM 365 CA TRP A 23 -19.085 5.534 -12.109 1.00 0.41 C ATOM 366 C TRP A 23 -17.729 5.561 -11.377 1.00 0.40 C ATOM 367 O TRP A 23 -17.056 6.593 -11.340 1.00 0.55 O ATOM 368 CB TRP A 23 -18.964 6.246 -13.472 1.00 0.43 C ATOM 369 CG TRP A 23 -19.945 5.737 -14.490 1.00 0.40 C ATOM 370 CD1 TRP A 23 -21.019 6.403 -15.009 1.00 0.45 C ATOM 371 CD2 TRP A 23 -19.939 4.435 -15.111 1.00 0.34 C ATOM 372 NE1 TRP A 23 -21.657 5.584 -15.895 1.00 0.42 N ATOM 373 CE2 TRP A 23 -21.032 4.376 -15.980 1.00 0.36 C ATOM 374 CE3 TRP A 23 -19.116 3.317 -15.000 1.00 0.30 C ATOM 375 CZ2 TRP A 23 -21.311 3.246 -16.737 1.00 0.35 C ATOM 376 CZ3 TRP A 23 -19.384 2.188 -15.748 1.00 0.29 C ATOM 377 CH2 TRP A 23 -20.477 2.146 -16.608 1.00 0.31 C ATOM 0 H TRP A 23 -20.686 6.872 -11.829 1.00 0.69 H new ATOM 0 HA TRP A 23 -19.358 4.490 -12.260 1.00 0.41 H new ATOM 0 HB2 TRP A 23 -19.117 7.316 -13.331 1.00 0.43 H new ATOM 0 HB3 TRP A 23 -17.952 6.116 -13.855 1.00 0.43 H new ATOM 0 HD1 TRP A 23 -21.314 7.411 -14.759 1.00 0.45 H new ATOM 0 HE1 TRP A 23 -22.491 5.842 -16.423 1.00 0.42 H new ATOM 0 HE3 TRP A 23 -18.269 3.333 -14.330 1.00 0.30 H new ATOM 0 HZ2 TRP A 23 -22.156 3.224 -17.409 1.00 0.35 H new ATOM 0 HZ3 TRP A 23 -18.737 1.327 -15.665 1.00 0.29 H new ATOM 0 HH2 TRP A 23 -20.677 1.251 -17.179 1.00 0.31 H new ATOM 388 N HIS A 24 -17.346 4.419 -10.795 1.00 0.37 N ATOM 389 CA HIS A 24 -16.082 4.288 -10.056 1.00 0.45 C ATOM 390 C HIS A 24 -15.211 3.199 -10.679 1.00 0.36 C ATOM 391 O HIS A 24 -15.705 2.132 -11.057 1.00 0.34 O ATOM 392 CB HIS A 24 -16.333 3.967 -8.563 1.00 0.61 C ATOM 393 CG HIS A 24 -17.223 2.779 -8.309 1.00 1.18 C ATOM 394 ND1 HIS A 24 -18.587 2.818 -8.416 1.00 2.08 N ATOM 395 CD2 HIS A 24 -16.940 1.506 -7.927 1.00 1.66 C ATOM 396 CE1 HIS A 24 -19.120 1.658 -8.122 1.00 2.98 C ATOM 397 NE2 HIS A 24 -18.140 0.825 -7.814 1.00 2.74 N ATOM 0 H HIS A 24 -17.899 3.563 -10.822 1.00 0.37 H new ATOM 0 HA HIS A 24 -15.562 5.244 -10.118 1.00 0.45 H new ATOM 0 HB2 HIS A 24 -15.373 3.793 -8.078 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -16.776 4.842 -8.088 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -19.120 3.644 -8.689 1.00 2.08 H new ATOM 0 HD2 HIS A 24 -15.956 1.099 -7.744 1.00 1.66 H new ATOM 0 HE1 HIS A 24 -20.174 1.423 -8.130 1.00 2.98 H new ATOM 405 N ASN A 25 -13.909 3.466 -10.767 1.00 0.37 N ATOM 406 CA ASN A 25 -12.959 2.501 -11.322 1.00 0.35 C ATOM 407 C ASN A 25 -12.624 1.464 -10.246 1.00 0.34 C ATOM 408 O ASN A 25 -12.153 1.813 -9.158 1.00 0.55 O ATOM 409 CB ASN A 25 -11.685 3.219 -11.813 1.00 0.44 C ATOM 410 CG ASN A 25 -11.092 2.484 -13.019 1.00 0.99 C ATOM 411 OD1 ASN A 25 -10.638 1.345 -12.905 1.00 1.71 O ATOM 412 ND2 ASN A 25 -11.084 3.134 -14.174 1.00 1.49 N ATOM 0 H ASN A 25 -13.487 4.343 -10.461 1.00 0.37 H new ATOM 0 HA ASN A 25 -13.404 1.998 -12.180 1.00 0.35 H new ATOM 0 HB2 ASN A 25 -11.921 4.248 -12.086 1.00 0.44 H new ATOM 0 HB3 ASN A 25 -10.951 3.263 -11.008 1.00 0.44 H new ATOM 0 HD21 ASN A 25 -10.693 2.691 -15.006 1.00 1.49 H new ATOM 0 HD22 ASN A 25 -11.469 4.077 -14.231 1.00 1.49 H new ATOM 419 N VAL A 26 -12.900 0.198 -10.540 1.00 0.22 N ATOM 420 CA VAL A 26 -12.664 -0.900 -9.598 1.00 0.21 C ATOM 421 C VAL A 26 -11.943 -2.055 -10.300 1.00 0.18 C ATOM 422 O VAL A 26 -11.955 -2.155 -11.529 1.00 0.23 O ATOM 423 CB VAL A 26 -14.017 -1.355 -9.007 1.00 0.25 C ATOM 424 CG1 VAL A 26 -14.712 -2.400 -9.886 1.00 0.31 C ATOM 425 CG2 VAL A 26 -13.848 -1.885 -7.588 1.00 0.31 C ATOM 0 H VAL A 26 -13.292 -0.099 -11.433 1.00 0.22 H new ATOM 0 HA VAL A 26 -12.023 -0.561 -8.784 1.00 0.21 H new ATOM 0 HB VAL A 26 -14.657 -0.473 -8.977 1.00 0.25 H new ATOM 0 HG11 VAL A 26 -15.659 -2.688 -9.429 1.00 0.31 H new ATOM 0 HG12 VAL A 26 -14.899 -1.978 -10.873 1.00 0.31 H new ATOM 0 HG13 VAL A 26 -14.073 -3.278 -9.982 1.00 0.31 H new ATOM 0 HG21 VAL A 26 -14.817 -2.198 -7.199 1.00 0.31 H new ATOM 0 HG22 VAL A 26 -13.168 -2.737 -7.596 1.00 0.31 H new ATOM 0 HG23 VAL A 26 -13.438 -1.100 -6.953 1.00 0.31 H new ATOM 435 N TYR A 27 -11.328 -2.933 -9.510 1.00 0.16 N ATOM 436 CA TYR A 27 -10.613 -4.093 -10.043 1.00 0.16 C ATOM 437 C TYR A 27 -11.494 -5.329 -9.908 1.00 0.19 C ATOM 438 O TYR A 27 -11.929 -5.672 -8.806 1.00 0.34 O ATOM 439 CB TYR A 27 -9.288 -4.291 -9.302 1.00 0.17 C ATOM 440 CG TYR A 27 -8.313 -5.163 -10.064 1.00 0.18 C ATOM 441 CD1 TYR A 27 -7.562 -4.636 -11.107 1.00 0.28 C ATOM 442 CD2 TYR A 27 -8.160 -6.492 -9.712 1.00 0.26 C ATOM 443 CE1 TYR A 27 -6.665 -5.445 -11.791 1.00 0.33 C ATOM 444 CE2 TYR A 27 -7.264 -7.295 -10.397 1.00 0.30 C ATOM 445 CZ TYR A 27 -6.544 -6.745 -11.488 1.00 0.29 C ATOM 446 OH TYR A 27 -5.629 -7.573 -12.106 1.00 0.37 O ATOM 0 H TYR A 27 -11.310 -2.863 -8.493 1.00 0.16 H new ATOM 0 HA TYR A 27 -10.387 -3.927 -11.096 1.00 0.16 H new ATOM 0 HB2 TYR A 27 -8.831 -3.319 -9.118 1.00 0.17 H new ATOM 0 HB3 TYR A 27 -9.485 -4.740 -8.328 1.00 0.17 H new ATOM 0 HD1 TYR A 27 -7.676 -3.599 -11.385 1.00 0.28 H new ATOM 0 HD2 TYR A 27 -8.741 -6.904 -8.900 1.00 0.26 H new ATOM 0 HE1 TYR A 27 -6.057 -5.022 -12.577 1.00 0.33 H new ATOM 0 HE2 TYR A 27 -7.116 -8.324 -10.105 1.00 0.30 H new ATOM 0 HH TYR A 27 -5.534 -8.399 -11.588 1.00 0.37 H new ATOM 456 N CYS A 28 -11.763 -5.984 -11.035 1.00 0.16 N ATOM 457 CA CYS A 28 -12.609 -7.179 -11.071 1.00 0.19 C ATOM 458 C CYS A 28 -11.775 -8.429 -11.356 1.00 0.19 C ATOM 459 O CYS A 28 -10.838 -8.395 -12.163 1.00 0.23 O ATOM 460 CB CYS A 28 -13.693 -7.005 -12.142 1.00 0.23 C ATOM 461 SG CYS A 28 -14.667 -5.511 -11.881 1.00 0.34 S ATOM 0 H CYS A 28 -11.403 -5.704 -11.947 1.00 0.16 H new ATOM 0 HA CYS A 28 -13.081 -7.306 -10.097 1.00 0.19 H new ATOM 0 HB2 CYS A 28 -13.227 -6.966 -13.127 1.00 0.23 H new ATOM 0 HB3 CYS A 28 -14.352 -7.873 -12.135 1.00 0.23 H new ATOM 0 HG CYS A 28 -15.400 -5.651 -10.817 1.00 0.34 H new ATOM 467 N VAL A 29 -12.130 -9.525 -10.688 1.00 0.21 N ATOM 468 CA VAL A 29 -11.446 -10.816 -10.837 1.00 0.24 C ATOM 469 C VAL A 29 -12.488 -11.909 -11.066 1.00 0.26 C ATOM 470 O VAL A 29 -13.506 -11.943 -10.378 1.00 0.38 O ATOM 471 CB VAL A 29 -10.622 -11.118 -9.573 1.00 0.29 C ATOM 472 CG1 VAL A 29 -9.925 -12.479 -9.675 1.00 0.37 C ATOM 473 CG2 VAL A 29 -9.593 -10.012 -9.325 1.00 0.33 C ATOM 0 H VAL A 29 -12.904 -9.546 -10.024 1.00 0.21 H new ATOM 0 HA VAL A 29 -10.769 -10.780 -11.691 1.00 0.24 H new ATOM 0 HB VAL A 29 -11.310 -11.154 -8.728 1.00 0.29 H new ATOM 0 HG11 VAL A 29 -9.351 -12.663 -8.767 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -10.673 -13.263 -9.797 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -9.255 -12.481 -10.534 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -9.020 -10.243 -8.427 1.00 0.33 H new ATOM 0 HG22 VAL A 29 -8.919 -9.944 -10.179 1.00 0.33 H new ATOM 0 HG23 VAL A 29 -10.107 -9.060 -9.193 1.00 0.33 H new ATOM 483 N ILE A 30 -12.230 -12.801 -12.023 1.00 0.28 N ATOM 484 CA ILE A 30 -13.148 -13.902 -12.348 1.00 0.32 C ATOM 485 C ILE A 30 -12.467 -15.240 -12.054 1.00 0.35 C ATOM 486 O ILE A 30 -11.305 -15.444 -12.410 1.00 0.44 O ATOM 487 CB ILE A 30 -13.573 -13.835 -13.828 1.00 0.40 C ATOM 488 CG1 ILE A 30 -13.941 -12.399 -14.234 1.00 0.47 C ATOM 489 CG2 ILE A 30 -14.754 -14.772 -14.094 1.00 0.50 C ATOM 490 CD1 ILE A 30 -14.314 -12.315 -15.709 1.00 0.57 C ATOM 0 H ILE A 30 -11.385 -12.784 -12.594 1.00 0.28 H new ATOM 0 HA ILE A 30 -14.042 -13.810 -11.732 1.00 0.32 H new ATOM 0 HB ILE A 30 -12.724 -14.157 -14.431 1.00 0.40 H new ATOM 0 HG12 ILE A 30 -14.776 -12.050 -13.626 1.00 0.47 H new ATOM 0 HG13 ILE A 30 -13.100 -11.736 -14.032 1.00 0.47 H new ATOM 0 HG21 ILE A 30 -15.038 -14.710 -15.144 1.00 0.50 H new ATOM 0 HG22 ILE A 30 -14.467 -15.796 -13.856 1.00 0.50 H new ATOM 0 HG23 ILE A 30 -15.599 -14.478 -13.471 1.00 0.50 H new ATOM 0 HD11 ILE A 30 -14.569 -11.286 -15.962 1.00 0.57 H new ATOM 0 HD12 ILE A 30 -13.470 -12.640 -16.317 1.00 0.57 H new ATOM 0 HD13 ILE A 30 -15.171 -12.959 -15.905 1.00 0.57 H new ATOM 502 N ASN A 31 -13.187 -16.149 -11.400 1.00 0.46 N ATOM 503 CA ASN A 31 -12.644 -17.467 -11.052 1.00 0.58 C ATOM 504 C ASN A 31 -13.766 -18.504 -10.904 1.00 0.71 C ATOM 505 O ASN A 31 -14.555 -18.441 -9.962 1.00 1.20 O ATOM 506 CB ASN A 31 -11.841 -17.379 -9.738 1.00 0.73 C ATOM 507 CG ASN A 31 -10.904 -18.580 -9.591 1.00 0.93 C ATOM 508 OD1 ASN A 31 -11.312 -19.648 -9.135 1.00 1.27 O ATOM 509 ND2 ASN A 31 -9.645 -18.405 -9.964 1.00 1.47 N ATOM 0 H ASN A 31 -14.150 -16.000 -11.098 1.00 0.46 H new ATOM 0 HA ASN A 31 -11.985 -17.785 -11.860 1.00 0.58 H new ATOM 0 HB2 ASN A 31 -11.261 -16.456 -9.722 1.00 0.73 H new ATOM 0 HB3 ASN A 31 -12.525 -17.340 -8.890 1.00 0.73 H new ATOM 0 HD21 ASN A 31 -8.976 -19.170 -9.878 1.00 1.47 H new ATOM 0 HD22 ASN A 31 -9.344 -17.505 -10.338 1.00 1.47 H new ATOM 516 N ASN A 32 -13.796 -19.468 -11.830 1.00 0.85 N ATOM 517 CA ASN A 32 -14.770 -20.582 -11.837 1.00 1.00 C ATOM 518 C ASN A 32 -16.216 -20.122 -11.567 1.00 1.00 C ATOM 519 O ASN A 32 -16.807 -20.468 -10.541 1.00 1.97 O ATOM 520 CB ASN A 32 -14.334 -21.647 -10.805 1.00 1.24 C ATOM 521 CG ASN A 32 -14.962 -23.015 -11.106 1.00 1.73 C ATOM 522 OD1 ASN A 32 -15.538 -23.233 -12.172 1.00 2.06 O ATOM 523 ND2 ASN A 32 -14.853 -23.939 -10.163 1.00 2.52 N ATOM 0 H ASN A 32 -13.139 -19.503 -12.609 1.00 0.85 H new ATOM 0 HA ASN A 32 -14.772 -21.010 -12.839 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -13.248 -21.736 -10.810 1.00 1.24 H new ATOM 0 HB3 ASN A 32 -14.623 -21.325 -9.805 1.00 1.24 H new ATOM 0 HD21 ASN A 32 -15.253 -24.866 -10.308 1.00 2.52 H new ATOM 0 HD22 ASN A 32 -14.369 -23.724 -9.292 1.00 2.52 H new ATOM 530 N GLN A 33 -16.779 -19.361 -12.508 1.00 0.75 N ATOM 531 CA GLN A 33 -18.162 -18.848 -12.428 1.00 0.67 C ATOM 532 C GLN A 33 -18.419 -17.986 -11.177 1.00 0.56 C ATOM 533 O GLN A 33 -19.585 -17.784 -10.789 1.00 0.71 O ATOM 534 CB GLN A 33 -19.167 -20.009 -12.493 1.00 0.83 C ATOM 535 CG GLN A 33 -19.165 -20.671 -13.878 1.00 1.46 C ATOM 536 CD GLN A 33 -20.488 -20.429 -14.610 1.00 1.85 C ATOM 537 OE1 GLN A 33 -20.662 -19.417 -15.284 1.00 2.11 O ATOM 538 NE2 GLN A 33 -21.428 -21.349 -14.468 1.00 2.67 N ATOM 0 H GLN A 33 -16.290 -19.077 -13.357 1.00 0.75 H new ATOM 0 HA GLN A 33 -18.301 -18.194 -13.289 1.00 0.67 H new ATOM 0 HB2 GLN A 33 -18.920 -20.750 -11.733 1.00 0.83 H new ATOM 0 HB3 GLN A 33 -20.167 -19.640 -12.265 1.00 0.83 H new ATOM 0 HG2 GLN A 33 -18.341 -20.276 -14.472 1.00 1.46 H new ATOM 0 HG3 GLN A 33 -18.996 -21.743 -13.771 1.00 1.46 H new ATOM 0 HE21 GLN A 33 -21.249 -22.178 -13.901 1.00 2.67 H new ATOM 0 HE22 GLN A 33 -22.332 -21.230 -14.926 1.00 2.67 H new ATOM 547 N GLU A 34 -17.341 -17.455 -10.574 1.00 0.53 N ATOM 548 CA GLU A 34 -17.442 -16.584 -9.396 1.00 0.49 C ATOM 549 C GLU A 34 -16.523 -15.382 -9.614 1.00 0.45 C ATOM 550 O GLU A 34 -15.558 -15.474 -10.374 1.00 0.64 O ATOM 551 CB GLU A 34 -17.038 -17.331 -8.114 1.00 0.61 C ATOM 552 CG GLU A 34 -17.976 -18.506 -7.803 1.00 1.25 C ATOM 553 CD GLU A 34 -19.306 -18.010 -7.251 1.00 1.42 C ATOM 554 OE1 GLU A 34 -19.326 -17.470 -6.128 1.00 1.89 O ATOM 555 OE2 GLU A 34 -20.340 -18.165 -7.933 1.00 1.79 O ATOM 0 H GLU A 34 -16.384 -17.617 -10.888 1.00 0.53 H new ATOM 0 HA GLU A 34 -18.475 -16.260 -9.273 1.00 0.49 H new ATOM 0 HB2 GLU A 34 -16.018 -17.701 -8.218 1.00 0.61 H new ATOM 0 HB3 GLU A 34 -17.040 -16.635 -7.275 1.00 0.61 H new ATOM 0 HG2 GLU A 34 -18.148 -19.088 -8.708 1.00 1.25 H new ATOM 0 HG3 GLU A 34 -17.504 -19.172 -7.081 1.00 1.25 H new ATOM 562 N MET A 35 -16.805 -14.256 -8.963 1.00 0.36 N ATOM 563 CA MET A 35 -15.969 -13.064 -9.119 1.00 0.35 C ATOM 564 C MET A 35 -15.842 -12.306 -7.802 1.00 0.32 C ATOM 565 O MET A 35 -16.535 -12.601 -6.822 1.00 0.42 O ATOM 566 CB MET A 35 -16.520 -12.152 -10.233 1.00 0.41 C ATOM 567 CG MET A 35 -17.896 -11.562 -9.909 1.00 0.43 C ATOM 568 SD MET A 35 -18.327 -10.226 -11.043 1.00 0.60 S ATOM 569 CE MET A 35 -19.880 -9.645 -10.347 1.00 1.25 C ATOM 0 H MET A 35 -17.596 -14.142 -8.329 1.00 0.36 H new ATOM 0 HA MET A 35 -14.970 -13.389 -9.412 1.00 0.35 H new ATOM 0 HB2 MET A 35 -15.816 -11.339 -10.408 1.00 0.41 H new ATOM 0 HB3 MET A 35 -16.586 -12.722 -11.160 1.00 0.41 H new ATOM 0 HG2 MET A 35 -18.651 -12.346 -9.965 1.00 0.43 H new ATOM 0 HG3 MET A 35 -17.900 -11.187 -8.885 1.00 0.43 H new ATOM 0 HE1 MET A 35 -20.262 -8.819 -10.948 1.00 1.25 H new ATOM 0 HE2 MET A 35 -20.605 -10.459 -10.346 1.00 1.25 H new ATOM 0 HE3 MET A 35 -19.716 -9.304 -9.325 1.00 1.25 H new ATOM 579 N GLY A 36 -14.946 -11.329 -7.786 1.00 0.27 N ATOM 580 CA GLY A 36 -14.703 -10.518 -6.602 1.00 0.29 C ATOM 581 C GLY A 36 -14.277 -9.111 -6.997 1.00 0.25 C ATOM 582 O GLY A 36 -13.687 -8.904 -8.068 1.00 0.28 O ATOM 0 H GLY A 36 -14.370 -11.077 -8.589 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -15.606 -10.473 -5.993 1.00 0.29 H new ATOM 0 HA3 GLY A 36 -13.929 -10.980 -5.990 1.00 0.29 H new ATOM 586 N PHE A 37 -14.580 -8.151 -6.126 1.00 0.24 N ATOM 587 CA PHE A 37 -14.240 -6.741 -6.344 1.00 0.25 C ATOM 588 C PHE A 37 -13.108 -6.328 -5.409 1.00 0.25 C ATOM 589 O PHE A 37 -13.248 -6.386 -4.184 1.00 0.40 O ATOM 590 CB PHE A 37 -15.473 -5.867 -6.106 1.00 0.30 C ATOM 591 CG PHE A 37 -16.560 -6.119 -7.125 1.00 0.28 C ATOM 592 CD1 PHE A 37 -16.362 -5.755 -8.448 1.00 0.39 C ATOM 593 CD2 PHE A 37 -17.748 -6.726 -6.746 1.00 0.43 C ATOM 594 CE1 PHE A 37 -17.348 -5.994 -9.387 1.00 0.41 C ATOM 595 CE2 PHE A 37 -18.735 -6.963 -7.686 1.00 0.45 C ATOM 596 CZ PHE A 37 -18.536 -6.597 -9.007 1.00 0.33 C ATOM 0 H PHE A 37 -15.068 -8.326 -5.248 1.00 0.24 H new ATOM 0 HA PHE A 37 -13.908 -6.607 -7.374 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -15.864 -6.058 -5.107 1.00 0.30 H new ATOM 0 HB3 PHE A 37 -15.183 -4.817 -6.139 1.00 0.30 H new ATOM 0 HD1 PHE A 37 -15.437 -5.284 -8.745 1.00 0.39 H new ATOM 0 HD2 PHE A 37 -17.903 -7.014 -5.717 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -17.192 -5.710 -10.417 1.00 0.41 H new ATOM 0 HE2 PHE A 37 -19.661 -7.433 -7.390 1.00 0.45 H new ATOM 0 HZ PHE A 37 -19.307 -6.782 -9.741 1.00 0.33 H new ATOM 606 N TYR A 38 -11.985 -5.918 -5.997 1.00 0.20 N ATOM 607 CA TYR A 38 -10.799 -5.497 -5.239 1.00 0.21 C ATOM 608 C TYR A 38 -10.371 -4.084 -5.645 1.00 0.21 C ATOM 609 O TYR A 38 -10.991 -3.449 -6.504 1.00 0.23 O ATOM 610 CB TYR A 38 -9.651 -6.486 -5.493 1.00 0.23 C ATOM 611 CG TYR A 38 -9.940 -7.872 -4.962 1.00 0.27 C ATOM 612 CD1 TYR A 38 -9.699 -8.174 -3.632 1.00 0.42 C ATOM 613 CD2 TYR A 38 -10.448 -8.839 -5.807 1.00 0.27 C ATOM 614 CE1 TYR A 38 -9.966 -9.442 -3.150 1.00 0.50 C ATOM 615 CE2 TYR A 38 -10.716 -10.108 -5.329 1.00 0.35 C ATOM 616 CZ TYR A 38 -10.460 -10.403 -3.986 1.00 0.44 C ATOM 617 OH TYR A 38 -10.741 -11.669 -3.519 1.00 0.55 O ATOM 0 H TYR A 38 -11.868 -5.867 -7.009 1.00 0.20 H new ATOM 0 HA TYR A 38 -11.045 -5.489 -4.177 1.00 0.21 H new ATOM 0 HB2 TYR A 38 -9.460 -6.545 -6.564 1.00 0.23 H new ATOM 0 HB3 TYR A 38 -8.741 -6.106 -5.027 1.00 0.23 H new ATOM 0 HD1 TYR A 38 -9.302 -7.418 -2.971 1.00 0.42 H new ATOM 0 HD2 TYR A 38 -10.636 -8.603 -6.844 1.00 0.27 H new ATOM 0 HE1 TYR A 38 -9.784 -9.673 -2.111 1.00 0.50 H new ATOM 0 HE2 TYR A 38 -11.119 -10.864 -5.986 1.00 0.35 H new ATOM 0 HH TYR A 38 -11.085 -12.219 -4.253 1.00 0.55 H new ATOM 627 N LYS A 39 -9.294 -3.599 -5.029 1.00 0.25 N ATOM 628 CA LYS A 39 -8.761 -2.269 -5.324 1.00 0.29 C ATOM 629 C LYS A 39 -7.896 -2.316 -6.587 1.00 0.28 C ATOM 630 O LYS A 39 -8.007 -1.455 -7.453 1.00 0.33 O ATOM 631 CB LYS A 39 -7.945 -1.756 -4.131 1.00 0.36 C ATOM 632 CG LYS A 39 -8.147 -0.255 -3.913 1.00 0.70 C ATOM 633 CD LYS A 39 -7.598 0.179 -2.557 1.00 1.15 C ATOM 634 CE LYS A 39 -8.028 1.608 -2.195 1.00 1.82 C ATOM 635 NZ LYS A 39 -8.736 1.661 -0.884 1.00 2.51 N ATOM 0 H LYS A 39 -8.771 -4.110 -4.318 1.00 0.25 H new ATOM 0 HA LYS A 39 -9.590 -1.584 -5.499 1.00 0.29 H new ATOM 0 HB2 LYS A 39 -8.236 -2.297 -3.231 1.00 0.36 H new ATOM 0 HB3 LYS A 39 -6.888 -1.961 -4.298 1.00 0.36 H new ATOM 0 HG2 LYS A 39 -7.648 0.302 -4.706 1.00 0.70 H new ATOM 0 HG3 LYS A 39 -9.208 -0.015 -3.974 1.00 0.70 H new ATOM 0 HD2 LYS A 39 -7.945 -0.510 -1.787 1.00 1.15 H new ATOM 0 HD3 LYS A 39 -6.510 0.120 -2.570 1.00 1.15 H new ATOM 0 HE2 LYS A 39 -7.150 2.253 -2.160 1.00 1.82 H new ATOM 0 HE3 LYS A 39 -8.680 2.000 -2.976 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 -9.009 2.643 -0.677 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -9.588 1.066 -0.925 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -8.105 1.312 -0.134 1.00 2.51 H new ATOM 649 N ASP A 40 -7.039 -3.336 -6.681 1.00 0.28 N ATOM 650 CA ASP A 40 -6.147 -3.521 -7.835 1.00 0.32 C ATOM 651 C ASP A 40 -5.659 -4.975 -7.906 1.00 0.33 C ATOM 652 O ASP A 40 -6.148 -5.845 -7.174 1.00 0.32 O ATOM 653 CB ASP A 40 -4.952 -2.542 -7.758 1.00 0.38 C ATOM 654 CG ASP A 40 -3.873 -3.011 -6.776 1.00 0.57 C ATOM 655 OD1 ASP A 40 -4.220 -3.442 -5.654 1.00 0.84 O ATOM 656 OD2 ASP A 40 -2.678 -2.962 -7.132 1.00 0.94 O ATOM 0 H ASP A 40 -6.942 -4.055 -5.964 1.00 0.28 H new ATOM 0 HA ASP A 40 -6.706 -3.304 -8.745 1.00 0.32 H new ATOM 0 HB2 ASP A 40 -4.513 -2.431 -8.749 1.00 0.38 H new ATOM 0 HB3 ASP A 40 -5.311 -1.558 -7.456 1.00 0.38 H new ATOM 661 N ALA A 41 -4.679 -5.226 -8.780 1.00 0.40 N ATOM 662 CA ALA A 41 -4.095 -6.562 -8.960 1.00 0.45 C ATOM 663 C ALA A 41 -3.397 -7.042 -7.680 1.00 0.45 C ATOM 664 O ALA A 41 -3.478 -8.219 -7.327 1.00 0.47 O ATOM 665 CB ALA A 41 -3.096 -6.535 -10.118 1.00 0.55 C ATOM 0 H ALA A 41 -4.268 -4.512 -9.382 1.00 0.40 H new ATOM 0 HA ALA A 41 -4.901 -7.259 -9.186 1.00 0.45 H new ATOM 0 HB1 ALA A 41 -2.664 -7.527 -10.249 1.00 0.55 H new ATOM 0 HB2 ALA A 41 -3.608 -6.238 -11.033 1.00 0.55 H new ATOM 0 HB3 ALA A 41 -2.303 -5.821 -9.898 1.00 0.55 H new ATOM 671 N LYS A 42 -2.725 -6.123 -6.979 1.00 0.46 N ATOM 672 CA LYS A 42 -2.027 -6.451 -5.728 1.00 0.48 C ATOM 673 C LYS A 42 -3.037 -6.827 -4.640 1.00 0.43 C ATOM 674 O LYS A 42 -2.858 -7.816 -3.926 1.00 0.47 O ATOM 675 CB LYS A 42 -1.173 -5.261 -5.269 1.00 0.54 C ATOM 676 CG LYS A 42 0.039 -5.056 -6.181 1.00 0.77 C ATOM 677 CD LYS A 42 0.958 -3.948 -5.658 1.00 1.12 C ATOM 678 CE LYS A 42 2.096 -4.516 -4.804 1.00 1.96 C ATOM 679 NZ LYS A 42 1.586 -5.189 -3.572 1.00 2.76 N ATOM 0 H LYS A 42 -2.649 -5.144 -7.256 1.00 0.46 H new ATOM 0 HA LYS A 42 -1.372 -7.304 -5.907 1.00 0.48 H new ATOM 0 HB2 LYS A 42 -1.781 -4.357 -5.262 1.00 0.54 H new ATOM 0 HB3 LYS A 42 -0.836 -5.427 -4.246 1.00 0.54 H new ATOM 0 HG2 LYS A 42 0.599 -5.988 -6.258 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -0.300 -4.804 -7.186 1.00 0.77 H new ATOM 0 HD2 LYS A 42 1.375 -3.393 -6.499 1.00 1.12 H new ATOM 0 HD3 LYS A 42 0.376 -3.241 -5.067 1.00 1.12 H new ATOM 0 HE2 LYS A 42 2.672 -5.228 -5.395 1.00 1.96 H new ATOM 0 HE3 LYS A 42 2.775 -3.711 -4.523 1.00 1.96 H new ATOM 0 HZ1 LYS A 42 2.367 -5.317 -2.898 1.00 2.76 H new ATOM 0 HZ2 LYS A 42 0.846 -4.602 -3.137 1.00 2.76 H new ATOM 0 HZ3 LYS A 42 1.189 -6.117 -3.822 1.00 2.76 H new ATOM 693 N SER A 43 -4.110 -6.035 -4.536 1.00 0.38 N ATOM 694 CA SER A 43 -5.178 -6.274 -3.554 1.00 0.38 C ATOM 695 C SER A 43 -5.868 -7.620 -3.810 1.00 0.39 C ATOM 696 O SER A 43 -6.256 -8.314 -2.872 1.00 0.45 O ATOM 697 CB SER A 43 -6.202 -5.139 -3.614 1.00 0.37 C ATOM 698 OG SER A 43 -5.564 -3.877 -3.465 1.00 1.04 O ATOM 0 H SER A 43 -4.264 -5.216 -5.124 1.00 0.38 H new ATOM 0 HA SER A 43 -4.731 -6.305 -2.560 1.00 0.38 H new ATOM 0 HB2 SER A 43 -6.734 -5.173 -4.565 1.00 0.37 H new ATOM 0 HB3 SER A 43 -6.945 -5.271 -2.828 1.00 0.37 H new ATOM 0 HG SER A 43 -5.390 -3.492 -4.349 1.00 1.04 H new ATOM 704 N ALA A 44 -6.006 -7.985 -5.087 1.00 0.37 N ATOM 705 CA ALA A 44 -6.635 -9.248 -5.485 1.00 0.43 C ATOM 706 C ALA A 44 -5.716 -10.437 -5.175 1.00 0.51 C ATOM 707 O ALA A 44 -6.168 -11.459 -4.656 1.00 0.59 O ATOM 708 CB ALA A 44 -6.960 -9.220 -6.980 1.00 0.43 C ATOM 0 H ALA A 44 -5.687 -7.417 -5.871 1.00 0.37 H new ATOM 0 HA ALA A 44 -7.557 -9.367 -4.916 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -7.427 -10.162 -7.269 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.644 -8.397 -7.188 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -6.041 -9.081 -7.550 1.00 0.43 H new ATOM 714 N ALA A 45 -4.429 -10.296 -5.500 1.00 0.54 N ATOM 715 CA ALA A 45 -3.436 -11.355 -5.269 1.00 0.64 C ATOM 716 C ALA A 45 -3.214 -11.604 -3.770 1.00 0.68 C ATOM 717 O ALA A 45 -3.231 -12.749 -3.318 1.00 0.76 O ATOM 718 CB ALA A 45 -2.108 -10.978 -5.934 1.00 0.69 C ATOM 0 H ALA A 45 -4.045 -9.453 -5.927 1.00 0.54 H new ATOM 0 HA ALA A 45 -3.820 -12.275 -5.709 1.00 0.64 H new ATOM 0 HB1 ALA A 45 -1.377 -11.767 -5.759 1.00 0.69 H new ATOM 0 HB2 ALA A 45 -2.260 -10.855 -7.006 1.00 0.69 H new ATOM 0 HB3 ALA A 45 -1.741 -10.043 -5.510 1.00 0.69 H new ATOM 724 N SER A 46 -2.999 -10.531 -3.010 1.00 0.65 N ATOM 725 CA SER A 46 -2.761 -10.630 -1.561 1.00 0.73 C ATOM 726 C SER A 46 -4.053 -10.944 -0.782 1.00 0.74 C ATOM 727 O SER A 46 -3.999 -11.423 0.352 1.00 0.84 O ATOM 728 CB SER A 46 -2.137 -9.326 -1.056 1.00 0.75 C ATOM 729 OG SER A 46 -0.952 -9.021 -1.788 1.00 1.21 O ATOM 0 H SER A 46 -2.984 -9.577 -3.371 1.00 0.65 H new ATOM 0 HA SER A 46 -2.074 -11.459 -1.388 1.00 0.73 H new ATOM 0 HB2 SER A 46 -2.853 -8.511 -1.157 1.00 0.75 H new ATOM 0 HB3 SER A 46 -1.903 -9.415 0.005 1.00 0.75 H new ATOM 0 HG SER A 46 -1.192 -8.593 -2.636 1.00 1.21 H new ATOM 735 N GLY A 47 -5.206 -10.676 -1.396 1.00 0.70 N ATOM 736 CA GLY A 47 -6.508 -10.936 -0.774 1.00 0.74 C ATOM 737 C GLY A 47 -6.844 -9.874 0.272 1.00 0.75 C ATOM 738 O GLY A 47 -7.051 -10.186 1.445 1.00 0.88 O ATOM 0 H GLY A 47 -5.266 -10.275 -2.332 1.00 0.70 H new ATOM 0 HA2 GLY A 47 -7.283 -10.953 -1.540 1.00 0.74 H new ATOM 0 HA3 GLY A 47 -6.500 -11.921 -0.307 1.00 0.74 H new ATOM 742 N ILE A 48 -6.896 -8.620 -0.169 1.00 0.67 N ATOM 743 CA ILE A 48 -7.207 -7.480 0.697 1.00 0.72 C ATOM 744 C ILE A 48 -8.623 -6.982 0.381 1.00 0.75 C ATOM 745 O ILE A 48 -8.973 -6.806 -0.785 1.00 0.75 O ATOM 746 CB ILE A 48 -6.180 -6.357 0.468 1.00 0.71 C ATOM 747 CG1 ILE A 48 -4.763 -6.944 0.307 1.00 0.78 C ATOM 748 CG2 ILE A 48 -6.213 -5.347 1.619 1.00 0.82 C ATOM 749 CD1 ILE A 48 -3.696 -5.850 0.227 1.00 0.97 C ATOM 0 H ILE A 48 -6.723 -8.362 -1.141 1.00 0.67 H new ATOM 0 HA ILE A 48 -7.159 -7.785 1.742 1.00 0.72 H new ATOM 0 HB ILE A 48 -6.446 -5.836 -0.452 1.00 0.71 H new ATOM 0 HG12 ILE A 48 -4.545 -7.602 1.148 1.00 0.78 H new ATOM 0 HG13 ILE A 48 -4.724 -7.555 -0.595 1.00 0.78 H new ATOM 0 HG21 ILE A 48 -5.479 -4.562 1.436 1.00 0.82 H new ATOM 0 HG22 ILE A 48 -7.207 -4.905 1.687 1.00 0.82 H new ATOM 0 HG23 ILE A 48 -5.976 -5.854 2.555 1.00 0.82 H new ATOM 0 HD11 ILE A 48 -2.713 -6.308 0.114 1.00 0.97 H new ATOM 0 HD12 ILE A 48 -3.898 -5.207 -0.630 1.00 0.97 H new ATOM 0 HD13 ILE A 48 -3.716 -5.255 1.140 1.00 0.97 H new ATOM 761 N PRO A 49 -9.462 -6.745 1.411 1.00 0.84 N ATOM 762 CA PRO A 49 -10.849 -6.268 1.215 1.00 0.93 C ATOM 763 C PRO A 49 -10.914 -4.846 0.634 1.00 0.93 C ATOM 764 O PRO A 49 -10.116 -3.976 0.989 1.00 1.08 O ATOM 765 CB PRO A 49 -11.461 -6.340 2.617 1.00 1.07 C ATOM 766 CG PRO A 49 -10.303 -6.266 3.554 1.00 1.06 C ATOM 767 CD PRO A 49 -9.140 -6.916 2.842 1.00 0.92 C ATOM 0 HA PRO A 49 -11.388 -6.873 0.486 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -12.157 -5.518 2.785 1.00 1.07 H new ATOM 0 HB3 PRO A 49 -12.021 -7.265 2.755 1.00 1.07 H new ATOM 0 HG2 PRO A 49 -10.074 -5.231 3.808 1.00 1.06 H new ATOM 0 HG3 PRO A 49 -10.525 -6.782 4.488 1.00 1.06 H new ATOM 0 HD2 PRO A 49 -8.195 -6.437 3.099 1.00 0.92 H new ATOM 0 HD3 PRO A 49 -9.046 -7.969 3.108 1.00 0.92 H new ATOM 775 N TYR A 50 -11.865 -4.629 -0.275 1.00 0.87 N ATOM 776 CA TYR A 50 -12.046 -3.335 -0.936 1.00 0.91 C ATOM 777 C TYR A 50 -12.872 -2.378 -0.067 1.00 1.12 C ATOM 778 O TYR A 50 -12.386 -1.317 0.330 1.00 1.91 O ATOM 779 CB TYR A 50 -12.728 -3.558 -2.293 1.00 0.92 C ATOM 780 CG TYR A 50 -13.173 -2.281 -2.971 1.00 0.94 C ATOM 781 CD1 TYR A 50 -12.251 -1.287 -3.253 1.00 1.02 C ATOM 782 CD2 TYR A 50 -14.506 -2.102 -3.309 1.00 1.13 C ATOM 783 CE1 TYR A 50 -12.662 -0.120 -3.872 1.00 1.13 C ATOM 784 CE2 TYR A 50 -14.914 -0.933 -3.926 1.00 1.24 C ATOM 785 CZ TYR A 50 -13.991 0.053 -4.204 1.00 1.17 C ATOM 786 OH TYR A 50 -14.397 1.216 -4.814 1.00 1.34 O ATOM 0 H TYR A 50 -12.530 -5.342 -0.574 1.00 0.87 H new ATOM 0 HA TYR A 50 -11.070 -2.875 -1.088 1.00 0.91 H new ATOM 0 HB2 TYR A 50 -12.040 -4.087 -2.952 1.00 0.92 H new ATOM 0 HB3 TYR A 50 -13.594 -4.204 -2.152 1.00 0.92 H new ATOM 0 HD1 TYR A 50 -11.212 -1.423 -2.990 1.00 1.02 H new ATOM 0 HD2 TYR A 50 -15.227 -2.876 -3.090 1.00 1.13 H new ATOM 0 HE1 TYR A 50 -11.944 0.655 -4.095 1.00 1.13 H new ATOM 0 HE2 TYR A 50 -15.952 -0.793 -4.189 1.00 1.24 H new ATOM 0 HH TYR A 50 -15.362 1.178 -4.981 1.00 1.34 H new ATOM 796 N HIS A 51 -14.119 -2.755 0.216 1.00 1.28 N ATOM 797 CA HIS A 51 -15.023 -1.931 1.030 1.00 1.53 C ATOM 798 C HIS A 51 -15.820 -2.825 1.982 1.00 1.61 C ATOM 799 O HIS A 51 -15.479 -2.946 3.160 1.00 2.07 O ATOM 800 CB HIS A 51 -15.973 -1.117 0.114 1.00 2.01 C ATOM 801 CG HIS A 51 -15.644 0.346 0.066 1.00 2.54 C ATOM 802 ND1 HIS A 51 -16.397 1.307 0.689 1.00 3.19 N ATOM 803 CD2 HIS A 51 -14.635 1.024 -0.532 1.00 2.89 C ATOM 804 CE1 HIS A 51 -15.894 2.501 0.494 1.00 3.87 C ATOM 805 NE2 HIS A 51 -14.809 2.368 -0.254 1.00 3.74 N ATOM 0 H HIS A 51 -14.531 -3.630 -0.107 1.00 1.28 H new ATOM 0 HA HIS A 51 -14.436 -1.229 1.622 1.00 1.53 H new ATOM 0 HB2 HIS A 51 -15.930 -1.525 -0.896 1.00 2.01 H new ATOM 0 HB3 HIS A 51 -16.998 -1.240 0.464 1.00 2.01 H new ATOM 0 HD2 HIS A 51 -13.838 0.593 -1.120 1.00 2.89 H new ATOM 0 HE1 HIS A 51 -16.293 3.429 0.876 1.00 3.87 H new ATOM 0 HE2 HIS A 51 -14.205 3.127 -0.571 1.00 3.74 H new ATOM 813 N SER A 52 -16.876 -3.450 1.464 1.00 1.60 N ATOM 814 CA SER A 52 -17.734 -4.343 2.251 1.00 1.96 C ATOM 815 C SER A 52 -17.955 -5.648 1.484 1.00 1.85 C ATOM 816 O SER A 52 -17.467 -6.703 1.893 1.00 2.45 O ATOM 817 CB SER A 52 -19.080 -3.654 2.578 1.00 2.44 C ATOM 818 OG SER A 52 -19.257 -2.456 1.819 1.00 2.65 O ATOM 0 H SER A 52 -17.163 -3.354 0.490 1.00 1.60 H new ATOM 0 HA SER A 52 -17.242 -4.573 3.196 1.00 1.96 H new ATOM 0 HB2 SER A 52 -19.901 -4.341 2.371 1.00 2.44 H new ATOM 0 HB3 SER A 52 -19.121 -3.420 3.642 1.00 2.44 H new ATOM 0 HG SER A 52 -19.846 -2.636 1.056 1.00 2.65 H new ATOM 824 N GLU A 53 -18.673 -5.563 0.360 1.00 1.45 N ATOM 825 CA GLU A 53 -18.949 -6.727 -0.487 1.00 1.37 C ATOM 826 C GLU A 53 -17.695 -7.064 -1.300 1.00 1.08 C ATOM 827 O GLU A 53 -17.285 -6.279 -2.159 1.00 1.24 O ATOM 828 CB GLU A 53 -20.135 -6.451 -1.434 1.00 1.73 C ATOM 829 CG GLU A 53 -21.165 -5.488 -0.829 1.00 2.39 C ATOM 830 CD GLU A 53 -20.862 -4.051 -1.237 1.00 2.88 C ATOM 831 OE1 GLU A 53 -21.343 -3.618 -2.303 1.00 3.46 O ATOM 832 OE2 GLU A 53 -20.151 -3.354 -0.487 1.00 3.23 O ATOM 0 H GLU A 53 -19.076 -4.693 0.014 1.00 1.45 H new ATOM 0 HA GLU A 53 -19.216 -7.571 0.148 1.00 1.37 H new ATOM 0 HB2 GLU A 53 -19.759 -6.034 -2.368 1.00 1.73 H new ATOM 0 HB3 GLU A 53 -20.625 -7.393 -1.680 1.00 1.73 H new ATOM 0 HG2 GLU A 53 -22.166 -5.762 -1.161 1.00 2.39 H new ATOM 0 HG3 GLU A 53 -21.155 -5.573 0.258 1.00 2.39 H new ATOM 839 N VAL A 54 -17.074 -8.209 -1.015 1.00 0.84 N ATOM 840 CA VAL A 54 -15.853 -8.622 -1.722 1.00 0.66 C ATOM 841 C VAL A 54 -16.160 -9.687 -2.784 1.00 0.55 C ATOM 842 O VAL A 54 -15.815 -9.498 -3.947 1.00 0.49 O ATOM 843 CB VAL A 54 -14.765 -9.125 -0.739 1.00 0.81 C ATOM 844 CG1 VAL A 54 -13.381 -8.663 -1.203 1.00 0.77 C ATOM 845 CG2 VAL A 54 -15.023 -8.647 0.695 1.00 1.34 C ATOM 0 H VAL A 54 -17.392 -8.867 -0.303 1.00 0.84 H new ATOM 0 HA VAL A 54 -15.460 -7.740 -2.228 1.00 0.66 H new ATOM 0 HB VAL A 54 -14.804 -10.214 -0.737 1.00 0.81 H new ATOM 0 HG11 VAL A 54 -12.625 -9.022 -0.505 1.00 0.77 H new ATOM 0 HG12 VAL A 54 -13.178 -9.064 -2.196 1.00 0.77 H new ATOM 0 HG13 VAL A 54 -13.354 -7.574 -1.239 1.00 0.77 H new ATOM 0 HG21 VAL A 54 -14.237 -9.022 1.351 1.00 1.34 H new ATOM 0 HG22 VAL A 54 -15.027 -7.557 0.720 1.00 1.34 H new ATOM 0 HG23 VAL A 54 -15.989 -9.021 1.035 1.00 1.34 H new ATOM 855 N PRO A 55 -16.806 -10.823 -2.415 1.00 0.62 N ATOM 856 CA PRO A 55 -17.128 -11.905 -3.356 1.00 0.59 C ATOM 857 C PRO A 55 -18.557 -11.800 -3.910 1.00 0.58 C ATOM 858 O PRO A 55 -19.500 -11.519 -3.169 1.00 0.83 O ATOM 859 CB PRO A 55 -16.974 -13.154 -2.485 1.00 0.76 C ATOM 860 CG PRO A 55 -17.197 -12.700 -1.064 1.00 0.87 C ATOM 861 CD PRO A 55 -17.271 -11.184 -1.067 1.00 0.83 C ATOM 0 HA PRO A 55 -16.492 -11.893 -4.241 1.00 0.59 H new ATOM 0 HB2 PRO A 55 -17.697 -13.919 -2.768 1.00 0.76 H new ATOM 0 HB3 PRO A 55 -15.983 -13.593 -2.604 1.00 0.76 H new ATOM 0 HG2 PRO A 55 -18.118 -13.127 -0.667 1.00 0.87 H new ATOM 0 HG3 PRO A 55 -16.385 -13.041 -0.422 1.00 0.87 H new ATOM 0 HD2 PRO A 55 -18.286 -10.831 -0.884 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -16.638 -10.749 -0.294 1.00 0.83 H new ATOM 869 N VAL A 56 -18.706 -12.052 -5.208 1.00 0.41 N ATOM 870 CA VAL A 56 -20.008 -12.017 -5.877 1.00 0.43 C ATOM 871 C VAL A 56 -20.082 -13.185 -6.862 1.00 0.42 C ATOM 872 O VAL A 56 -19.096 -13.516 -7.524 1.00 0.43 O ATOM 873 CB VAL A 56 -20.206 -10.667 -6.592 1.00 0.44 C ATOM 874 CG1 VAL A 56 -21.477 -10.669 -7.444 1.00 0.62 C ATOM 875 CG2 VAL A 56 -20.261 -9.524 -5.575 1.00 0.63 C ATOM 0 H VAL A 56 -17.930 -12.286 -5.827 1.00 0.41 H new ATOM 0 HA VAL A 56 -20.809 -12.117 -5.145 1.00 0.43 H new ATOM 0 HB VAL A 56 -19.353 -10.515 -7.253 1.00 0.44 H new ATOM 0 HG11 VAL A 56 -21.587 -9.702 -7.935 1.00 0.62 H new ATOM 0 HG12 VAL A 56 -21.408 -11.453 -8.198 1.00 0.62 H new ATOM 0 HG13 VAL A 56 -22.342 -10.853 -6.807 1.00 0.62 H new ATOM 0 HG21 VAL A 56 -20.401 -8.578 -6.098 1.00 0.63 H new ATOM 0 HG22 VAL A 56 -21.093 -9.687 -4.890 1.00 0.63 H new ATOM 0 HG23 VAL A 56 -19.328 -9.493 -5.012 1.00 0.63 H new ATOM 885 N SER A 57 -21.239 -13.833 -6.928 1.00 0.47 N ATOM 886 CA SER A 57 -21.442 -14.989 -7.791 1.00 0.48 C ATOM 887 C SER A 57 -21.659 -14.584 -9.258 1.00 0.46 C ATOM 888 O SER A 57 -22.314 -13.579 -9.554 1.00 0.59 O ATOM 889 CB SER A 57 -22.643 -15.787 -7.273 1.00 0.61 C ATOM 890 OG SER A 57 -23.767 -14.942 -7.023 1.00 0.91 O ATOM 0 H SER A 57 -22.062 -13.572 -6.385 1.00 0.47 H new ATOM 0 HA SER A 57 -20.542 -15.603 -7.764 1.00 0.48 H new ATOM 0 HB2 SER A 57 -22.916 -16.550 -8.002 1.00 0.61 H new ATOM 0 HB3 SER A 57 -22.367 -16.307 -6.356 1.00 0.61 H new ATOM 0 HG SER A 57 -24.516 -15.482 -6.695 1.00 0.91 H new ATOM 896 N LEU A 58 -21.120 -15.397 -10.167 1.00 0.44 N ATOM 897 CA LEU A 58 -21.244 -15.191 -11.616 1.00 0.49 C ATOM 898 C LEU A 58 -21.746 -16.495 -12.249 1.00 0.60 C ATOM 899 O LEU A 58 -21.292 -16.908 -13.318 1.00 0.89 O ATOM 900 CB LEU A 58 -19.876 -14.789 -12.196 1.00 0.67 C ATOM 901 CG LEU A 58 -20.016 -13.955 -13.475 1.00 0.70 C ATOM 902 CD1 LEU A 58 -20.487 -12.538 -13.154 1.00 0.60 C ATOM 903 CD2 LEU A 58 -18.691 -13.916 -14.232 1.00 0.86 C ATOM 0 H LEU A 58 -20.579 -16.226 -9.919 1.00 0.44 H new ATOM 0 HA LEU A 58 -21.952 -14.391 -11.832 1.00 0.49 H new ATOM 0 HB2 LEU A 58 -19.320 -14.220 -11.451 1.00 0.67 H new ATOM 0 HB3 LEU A 58 -19.295 -15.686 -12.410 1.00 0.67 H new ATOM 0 HG LEU A 58 -20.767 -14.427 -14.108 1.00 0.70 H new ATOM 0 HD11 LEU A 58 -20.578 -11.967 -14.078 1.00 0.60 H new ATOM 0 HD12 LEU A 58 -21.456 -12.581 -12.656 1.00 0.60 H new ATOM 0 HD13 LEU A 58 -19.763 -12.054 -12.498 1.00 0.60 H new ATOM 0 HD21 LEU A 58 -18.807 -13.320 -15.137 1.00 0.86 H new ATOM 0 HD22 LEU A 58 -17.924 -13.470 -13.600 1.00 0.86 H new ATOM 0 HD23 LEU A 58 -18.395 -14.930 -14.500 1.00 0.86 H new ATOM 915 N LYS A 59 -22.687 -17.144 -11.556 1.00 0.70 N ATOM 916 CA LYS A 59 -23.268 -18.415 -11.996 1.00 0.90 C ATOM 917 C LYS A 59 -24.285 -18.173 -13.106 1.00 0.87 C ATOM 918 O LYS A 59 -25.423 -17.776 -12.841 1.00 0.95 O ATOM 919 CB LYS A 59 -23.925 -19.126 -10.795 1.00 1.13 C ATOM 920 CG LYS A 59 -23.778 -20.650 -10.873 1.00 1.41 C ATOM 921 CD LYS A 59 -22.313 -21.119 -10.876 1.00 1.78 C ATOM 922 CE LYS A 59 -21.409 -20.254 -9.987 1.00 2.18 C ATOM 923 NZ LYS A 59 -21.789 -20.328 -8.549 1.00 2.83 N ATOM 0 H LYS A 59 -23.067 -16.802 -10.673 1.00 0.70 H new ATOM 0 HA LYS A 59 -22.480 -19.055 -12.393 1.00 0.90 H new ATOM 0 HB2 LYS A 59 -23.474 -18.766 -9.870 1.00 1.13 H new ATOM 0 HB3 LYS A 59 -24.983 -18.866 -10.755 1.00 1.13 H new ATOM 0 HG2 LYS A 59 -24.296 -21.102 -10.027 1.00 1.41 H new ATOM 0 HG3 LYS A 59 -24.270 -21.010 -11.777 1.00 1.41 H new ATOM 0 HD2 LYS A 59 -22.267 -22.153 -10.536 1.00 1.78 H new ATOM 0 HD3 LYS A 59 -21.933 -21.102 -11.898 1.00 1.78 H new ATOM 0 HE2 LYS A 59 -20.374 -20.576 -10.104 1.00 2.18 H new ATOM 0 HE3 LYS A 59 -21.460 -19.218 -10.321 1.00 2.18 H new ATOM 0 HZ1 LYS A 59 -21.332 -19.552 -8.029 1.00 2.83 H new ATOM 0 HZ2 LYS A 59 -22.822 -20.245 -8.458 1.00 2.83 H new ATOM 0 HZ3 LYS A 59 -21.479 -21.239 -8.154 1.00 2.83 H new ATOM 937 N GLU A 60 -23.858 -18.397 -14.349 1.00 0.89 N ATOM 938 CA GLU A 60 -24.708 -18.195 -15.530 1.00 0.93 C ATOM 939 C GLU A 60 -25.155 -16.731 -15.608 1.00 0.71 C ATOM 940 O GLU A 60 -26.344 -16.424 -15.523 1.00 0.82 O ATOM 941 CB GLU A 60 -25.922 -19.143 -15.498 1.00 1.20 C ATOM 942 CG GLU A 60 -25.501 -20.605 -15.286 1.00 1.43 C ATOM 943 CD GLU A 60 -24.631 -21.083 -16.441 1.00 1.80 C ATOM 944 OE1 GLU A 60 -25.135 -21.175 -17.577 1.00 2.04 O ATOM 945 OE2 GLU A 60 -23.442 -21.373 -16.211 1.00 2.33 O ATOM 0 H GLU A 60 -22.917 -18.723 -14.569 1.00 0.89 H new ATOM 0 HA GLU A 60 -24.129 -18.429 -16.424 1.00 0.93 H new ATOM 0 HB2 GLU A 60 -26.598 -18.840 -14.698 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -26.475 -19.056 -16.433 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -24.954 -20.700 -14.348 1.00 1.43 H new ATOM 0 HG3 GLU A 60 -26.386 -21.236 -15.204 1.00 1.43 H new ATOM 952 N ALA A 61 -24.183 -15.831 -15.745 1.00 0.51 N ATOM 953 CA ALA A 61 -24.449 -14.392 -15.813 1.00 0.35 C ATOM 954 C ALA A 61 -24.760 -13.963 -17.247 1.00 0.35 C ATOM 955 O ALA A 61 -24.030 -14.312 -18.181 1.00 0.43 O ATOM 956 CB ALA A 61 -23.232 -13.621 -15.299 1.00 0.31 C ATOM 0 H ALA A 61 -23.195 -16.074 -15.812 1.00 0.51 H new ATOM 0 HA ALA A 61 -25.316 -14.171 -15.191 1.00 0.35 H new ATOM 0 HB1 ALA A 61 -23.431 -12.551 -15.350 1.00 0.31 H new ATOM 0 HB2 ALA A 61 -23.032 -13.904 -14.266 1.00 0.31 H new ATOM 0 HB3 ALA A 61 -22.364 -13.858 -15.915 1.00 0.31 H new ATOM 962 N ILE A 62 -25.827 -13.182 -17.413 1.00 0.34 N ATOM 963 CA ILE A 62 -26.227 -12.669 -18.727 1.00 0.37 C ATOM 964 C ILE A 62 -25.589 -11.294 -18.926 1.00 0.31 C ATOM 965 O ILE A 62 -25.585 -10.469 -18.007 1.00 0.31 O ATOM 966 CB ILE A 62 -27.756 -12.569 -18.828 1.00 0.46 C ATOM 967 CG1 ILE A 62 -28.414 -13.928 -18.547 1.00 0.53 C ATOM 968 CG2 ILE A 62 -28.175 -12.059 -20.210 1.00 0.57 C ATOM 969 CD1 ILE A 62 -29.923 -13.786 -18.327 1.00 1.27 C ATOM 0 H ILE A 62 -26.435 -12.888 -16.649 1.00 0.34 H new ATOM 0 HA ILE A 62 -25.887 -13.352 -19.505 1.00 0.37 H new ATOM 0 HB ILE A 62 -28.095 -11.858 -18.075 1.00 0.46 H new ATOM 0 HG12 ILE A 62 -28.229 -14.603 -19.383 1.00 0.53 H new ATOM 0 HG13 ILE A 62 -27.958 -14.379 -17.666 1.00 0.53 H new ATOM 0 HG21 ILE A 62 -29.262 -11.996 -20.260 1.00 0.57 H new ATOM 0 HG22 ILE A 62 -27.746 -11.071 -20.379 1.00 0.57 H new ATOM 0 HG23 ILE A 62 -27.816 -12.747 -20.976 1.00 0.57 H new ATOM 0 HD11 ILE A 62 -30.356 -14.767 -18.131 1.00 1.27 H new ATOM 0 HD12 ILE A 62 -30.106 -13.131 -17.475 1.00 1.27 H new ATOM 0 HD13 ILE A 62 -30.382 -13.359 -19.218 1.00 1.27 H new ATOM 981 N CYS A 63 -25.035 -11.059 -20.108 1.00 0.34 N ATOM 982 CA CYS A 63 -24.371 -9.795 -20.421 1.00 0.33 C ATOM 983 C CYS A 63 -24.968 -9.164 -21.681 1.00 0.34 C ATOM 984 O CYS A 63 -25.252 -9.854 -22.666 1.00 0.52 O ATOM 985 CB CYS A 63 -22.871 -10.043 -20.599 1.00 0.37 C ATOM 986 SG CYS A 63 -21.903 -8.528 -20.537 1.00 0.53 S ATOM 0 H CYS A 63 -25.031 -11.732 -20.874 1.00 0.34 H new ATOM 0 HA CYS A 63 -24.525 -9.098 -19.598 1.00 0.33 H new ATOM 0 HB2 CYS A 63 -22.525 -10.722 -19.820 1.00 0.37 H new ATOM 0 HB3 CYS A 63 -22.700 -10.539 -21.554 1.00 0.37 H new ATOM 0 HG CYS A 63 -22.251 -7.833 -19.495 1.00 0.53 H new ATOM 992 N GLU A 64 -25.146 -7.844 -21.640 1.00 0.26 N ATOM 993 CA GLU A 64 -25.700 -7.080 -22.761 1.00 0.29 C ATOM 994 C GLU A 64 -24.773 -5.911 -23.085 1.00 0.24 C ATOM 995 O GLU A 64 -24.297 -5.225 -22.185 1.00 0.36 O ATOM 996 CB GLU A 64 -27.093 -6.551 -22.404 1.00 0.33 C ATOM 997 CG GLU A 64 -28.094 -7.689 -22.176 1.00 0.81 C ATOM 998 CD GLU A 64 -29.489 -7.128 -21.925 1.00 1.41 C ATOM 999 OE1 GLU A 64 -29.752 -5.977 -22.323 1.00 1.83 O ATOM 1000 OE2 GLU A 64 -30.323 -7.837 -21.326 1.00 1.96 O ATOM 0 H GLU A 64 -24.910 -7.272 -20.829 1.00 0.26 H new ATOM 0 HA GLU A 64 -25.784 -7.732 -23.630 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -27.029 -5.938 -21.505 1.00 0.33 H new ATOM 0 HB3 GLU A 64 -27.453 -5.906 -23.205 1.00 0.33 H new ATOM 0 HG2 GLU A 64 -28.111 -8.347 -23.045 1.00 0.81 H new ATOM 0 HG3 GLU A 64 -27.780 -8.293 -21.325 1.00 0.81 H new ATOM 1007 N VAL A 65 -24.526 -5.678 -24.369 1.00 0.34 N ATOM 1008 CA VAL A 65 -23.654 -4.581 -24.809 1.00 0.32 C ATOM 1009 C VAL A 65 -24.402 -3.249 -24.710 1.00 0.31 C ATOM 1010 O VAL A 65 -25.595 -3.173 -25.018 1.00 0.43 O ATOM 1011 CB VAL A 65 -23.185 -4.828 -26.251 1.00 0.45 C ATOM 1012 CG1 VAL A 65 -22.174 -3.761 -26.688 1.00 0.34 C ATOM 1013 CG2 VAL A 65 -22.572 -6.226 -26.391 1.00 0.39 C ATOM 0 H VAL A 65 -24.916 -6.233 -25.131 1.00 0.34 H new ATOM 0 HA VAL A 65 -22.778 -4.539 -24.162 1.00 0.32 H new ATOM 0 HB VAL A 65 -24.057 -4.764 -26.902 1.00 0.45 H new ATOM 0 HG11 VAL A 65 -21.857 -3.958 -27.712 1.00 0.34 H new ATOM 0 HG12 VAL A 65 -22.638 -2.776 -26.635 1.00 0.34 H new ATOM 0 HG13 VAL A 65 -21.307 -3.789 -26.028 1.00 0.34 H new ATOM 0 HG21 VAL A 65 -22.247 -6.379 -27.420 1.00 0.39 H new ATOM 0 HG22 VAL A 65 -21.716 -6.316 -25.723 1.00 0.39 H new ATOM 0 HG23 VAL A 65 -23.317 -6.978 -26.130 1.00 0.39 H new ATOM 1023 N ALA A 66 -23.706 -2.203 -24.266 1.00 0.25 N ATOM 1024 CA ALA A 66 -24.296 -0.875 -24.114 1.00 0.31 C ATOM 1025 C ALA A 66 -23.427 0.181 -24.808 1.00 0.34 C ATOM 1026 O ALA A 66 -22.491 0.744 -24.219 1.00 0.36 O ATOM 1027 CB ALA A 66 -24.471 -0.543 -22.626 1.00 0.36 C ATOM 0 H ALA A 66 -22.722 -2.252 -24.003 1.00 0.25 H new ATOM 0 HA ALA A 66 -25.278 -0.870 -24.588 1.00 0.31 H new ATOM 0 HB1 ALA A 66 -24.911 0.449 -22.524 1.00 0.36 H new ATOM 0 HB2 ALA A 66 -25.127 -1.281 -22.163 1.00 0.36 H new ATOM 0 HB3 ALA A 66 -23.499 -0.561 -22.132 1.00 0.36 H new ATOM 1033 N LEU A 67 -23.750 0.440 -26.076 1.00 0.55 N ATOM 1034 CA LEU A 67 -23.039 1.434 -26.895 1.00 0.71 C ATOM 1035 C LEU A 67 -23.916 2.684 -27.114 1.00 0.89 C ATOM 1036 O LEU A 67 -23.455 3.674 -27.680 1.00 1.22 O ATOM 1037 CB LEU A 67 -22.641 0.811 -28.247 1.00 0.76 C ATOM 1038 CG LEU A 67 -21.128 0.627 -28.342 1.00 0.99 C ATOM 1039 CD1 LEU A 67 -20.624 -0.253 -27.202 1.00 1.38 C ATOM 1040 CD2 LEU A 67 -20.740 0.027 -29.690 1.00 1.39 C ATOM 0 H LEU A 67 -24.510 -0.030 -26.567 1.00 0.55 H new ATOM 0 HA LEU A 67 -22.135 1.741 -26.368 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -23.136 -0.153 -28.367 1.00 0.76 H new ATOM 0 HB3 LEU A 67 -22.985 1.450 -29.061 1.00 0.76 H new ATOM 0 HG LEU A 67 -20.659 1.607 -28.256 1.00 0.99 H new ATOM 0 HD11 LEU A 67 -19.544 -0.373 -27.286 1.00 1.38 H new ATOM 0 HD12 LEU A 67 -20.864 0.215 -26.247 1.00 1.38 H new ATOM 0 HD13 LEU A 67 -21.103 -1.230 -27.258 1.00 1.38 H new ATOM 0 HD21 LEU A 67 -19.658 -0.095 -29.736 1.00 1.39 H new ATOM 0 HD22 LEU A 67 -21.220 -0.944 -29.808 1.00 1.39 H new ATOM 0 HD23 LEU A 67 -21.064 0.691 -30.491 1.00 1.39 H new ATOM 1052 N ASP A 68 -25.177 2.632 -26.656 1.00 0.90 N ATOM 1053 CA ASP A 68 -26.130 3.748 -26.790 1.00 1.14 C ATOM 1054 C ASP A 68 -26.302 4.500 -25.460 1.00 0.87 C ATOM 1055 O ASP A 68 -27.102 5.431 -25.373 1.00 1.00 O ATOM 1056 CB ASP A 68 -27.496 3.226 -27.288 1.00 1.59 C ATOM 1057 CG ASP A 68 -28.137 2.254 -26.289 1.00 2.35 C ATOM 1058 OD1 ASP A 68 -27.471 1.279 -25.878 1.00 3.07 O ATOM 1059 OD2 ASP A 68 -29.309 2.465 -25.918 1.00 2.62 O ATOM 0 H ASP A 68 -25.565 1.816 -26.183 1.00 0.90 H new ATOM 0 HA ASP A 68 -25.726 4.448 -27.522 1.00 1.14 H new ATOM 0 HB2 ASP A 68 -28.167 4.068 -27.456 1.00 1.59 H new ATOM 0 HB3 ASP A 68 -27.365 2.726 -28.248 1.00 1.59 H new ATOM 1064 N TYR A 69 -25.544 4.100 -24.435 1.00 0.81 N ATOM 1065 CA TYR A 69 -25.593 4.740 -23.112 1.00 0.69 C ATOM 1066 C TYR A 69 -24.877 6.099 -23.178 1.00 0.97 C ATOM 1067 O TYR A 69 -23.868 6.230 -23.869 1.00 1.47 O ATOM 1068 CB TYR A 69 -24.921 3.810 -22.085 1.00 0.58 C ATOM 1069 CG TYR A 69 -25.293 4.095 -20.646 1.00 0.53 C ATOM 1070 CD1 TYR A 69 -26.624 4.123 -20.258 1.00 0.72 C ATOM 1071 CD2 TYR A 69 -24.299 4.307 -19.706 1.00 0.55 C ATOM 1072 CE1 TYR A 69 -26.957 4.366 -18.935 1.00 0.85 C ATOM 1073 CE2 TYR A 69 -24.635 4.552 -18.386 1.00 0.64 C ATOM 1074 CZ TYR A 69 -25.961 4.581 -18.005 1.00 0.76 C ATOM 1075 OH TYR A 69 -26.287 4.819 -16.688 1.00 0.97 O ATOM 0 H TYR A 69 -24.881 3.327 -24.495 1.00 0.81 H new ATOM 0 HA TYR A 69 -26.626 4.911 -22.808 1.00 0.69 H new ATOM 0 HB2 TYR A 69 -25.186 2.779 -22.319 1.00 0.58 H new ATOM 0 HB3 TYR A 69 -23.839 3.893 -22.191 1.00 0.58 H new ATOM 0 HD1 TYR A 69 -27.402 3.955 -20.988 1.00 0.72 H new ATOM 0 HD2 TYR A 69 -23.261 4.281 -20.003 1.00 0.55 H new ATOM 0 HE1 TYR A 69 -27.994 4.387 -18.633 1.00 0.85 H new ATOM 0 HE2 TYR A 69 -23.859 4.721 -17.654 1.00 0.64 H new ATOM 0 HH TYR A 69 -25.468 4.948 -16.166 1.00 0.97 H new ATOM 1085 N LYS A 70 -25.405 7.110 -22.489 1.00 1.40 N ATOM 1086 CA LYS A 70 -24.811 8.454 -22.504 1.00 1.81 C ATOM 1087 C LYS A 70 -23.608 8.544 -21.555 1.00 1.82 C ATOM 1088 O LYS A 70 -23.632 7.993 -20.452 1.00 2.53 O ATOM 1089 CB LYS A 70 -25.874 9.491 -22.119 1.00 2.43 C ATOM 1090 CG LYS A 70 -26.876 9.716 -23.257 1.00 2.98 C ATOM 1091 CD LYS A 70 -28.080 8.774 -23.158 1.00 3.79 C ATOM 1092 CE LYS A 70 -28.402 8.107 -24.502 1.00 4.45 C ATOM 1093 NZ LYS A 70 -29.110 9.034 -25.433 1.00 4.84 N ATOM 0 H LYS A 70 -26.242 7.028 -21.913 1.00 1.40 H new ATOM 0 HA LYS A 70 -24.452 8.660 -23.512 1.00 1.81 H new ATOM 0 HB2 LYS A 70 -26.404 9.157 -21.227 1.00 2.43 H new ATOM 0 HB3 LYS A 70 -25.389 10.434 -21.867 1.00 2.43 H new ATOM 0 HG2 LYS A 70 -27.222 10.749 -23.236 1.00 2.98 H new ATOM 0 HG3 LYS A 70 -26.377 9.566 -24.214 1.00 2.98 H new ATOM 0 HD2 LYS A 70 -27.878 8.006 -22.411 1.00 3.79 H new ATOM 0 HD3 LYS A 70 -28.950 9.333 -22.813 1.00 3.79 H new ATOM 0 HE2 LYS A 70 -27.478 7.763 -24.966 1.00 4.45 H new ATOM 0 HE3 LYS A 70 -29.019 7.225 -24.330 1.00 4.45 H new ATOM 0 HZ1 LYS A 70 -29.308 8.543 -26.328 1.00 4.84 H new ATOM 0 HZ2 LYS A 70 -30.005 9.342 -25.002 1.00 4.84 H new ATOM 0 HZ3 LYS A 70 -28.511 9.864 -25.619 1.00 4.84 H new ATOM 1107 N LYS A 71 -22.562 9.254 -22.010 1.00 1.80 N ATOM 1108 CA LYS A 71 -21.309 9.461 -21.254 1.00 2.22 C ATOM 1109 C LYS A 71 -20.573 8.131 -21.049 1.00 2.19 C ATOM 1110 O LYS A 71 -20.735 7.478 -20.017 1.00 2.78 O ATOM 1111 CB LYS A 71 -21.596 10.140 -19.899 1.00 2.97 C ATOM 1112 CG LYS A 71 -20.302 10.518 -19.154 1.00 3.56 C ATOM 1113 CD LYS A 71 -19.486 11.561 -19.923 1.00 4.44 C ATOM 1114 CE LYS A 71 -18.857 12.588 -18.974 1.00 5.27 C ATOM 1115 NZ LYS A 71 -19.846 13.613 -18.537 1.00 5.62 N ATOM 0 H LYS A 71 -22.560 9.707 -22.924 1.00 1.80 H new ATOM 0 HA LYS A 71 -20.665 10.120 -21.836 1.00 2.22 H new ATOM 0 HB2 LYS A 71 -22.194 11.036 -20.063 1.00 2.97 H new ATOM 0 HB3 LYS A 71 -22.189 9.470 -19.277 1.00 2.97 H new ATOM 0 HG2 LYS A 71 -20.552 10.908 -18.167 1.00 3.56 H new ATOM 0 HG3 LYS A 71 -19.697 9.624 -19.000 1.00 3.56 H new ATOM 0 HD2 LYS A 71 -18.702 11.063 -20.495 1.00 4.44 H new ATOM 0 HD3 LYS A 71 -20.128 12.072 -20.640 1.00 4.44 H new ATOM 0 HE2 LYS A 71 -18.453 12.076 -18.100 1.00 5.27 H new ATOM 0 HE3 LYS A 71 -18.020 13.078 -19.471 1.00 5.27 H new ATOM 0 HZ1 LYS A 71 -19.384 14.290 -17.897 1.00 5.62 H new ATOM 0 HZ2 LYS A 71 -20.213 14.118 -19.369 1.00 5.62 H new ATOM 0 HZ3 LYS A 71 -20.632 13.147 -18.040 1.00 5.62 H new ATOM 1129 N LYS A 72 -19.771 7.724 -22.038 1.00 2.22 N ATOM 1130 CA LYS A 72 -19.041 6.461 -21.952 1.00 2.54 C ATOM 1131 C LYS A 72 -18.043 6.284 -23.101 1.00 1.92 C ATOM 1132 O LYS A 72 -17.914 7.128 -23.991 1.00 2.45 O ATOM 1133 CB LYS A 72 -20.041 5.289 -21.968 1.00 3.71 C ATOM 1134 CG LYS A 72 -21.090 5.418 -23.093 1.00 4.59 C ATOM 1135 CD LYS A 72 -20.561 4.920 -24.442 1.00 5.67 C ATOM 1136 CE LYS A 72 -21.665 4.905 -25.504 1.00 6.56 C ATOM 1137 NZ LYS A 72 -22.033 6.282 -25.956 1.00 7.03 N ATOM 0 H LYS A 72 -19.613 8.247 -22.899 1.00 2.22 H new ATOM 0 HA LYS A 72 -18.475 6.475 -21.020 1.00 2.54 H new ATOM 0 HB2 LYS A 72 -19.496 4.353 -22.090 1.00 3.71 H new ATOM 0 HB3 LYS A 72 -20.550 5.238 -21.006 1.00 3.71 H new ATOM 0 HG2 LYS A 72 -21.981 4.851 -22.823 1.00 4.59 H new ATOM 0 HG3 LYS A 72 -21.393 6.461 -23.187 1.00 4.59 H new ATOM 0 HD2 LYS A 72 -19.744 5.561 -24.773 1.00 5.67 H new ATOM 0 HD3 LYS A 72 -20.152 3.916 -24.326 1.00 5.67 H new ATOM 0 HE2 LYS A 72 -21.334 4.319 -26.362 1.00 6.56 H new ATOM 0 HE3 LYS A 72 -22.548 4.409 -25.101 1.00 6.56 H new ATOM 0 HZ1 LYS A 72 -22.370 6.246 -26.939 1.00 7.03 H new ATOM 0 HZ2 LYS A 72 -22.786 6.658 -25.345 1.00 7.03 H new ATOM 0 HZ3 LYS A 72 -21.199 6.901 -25.899 1.00 7.03 H new ATOM 1151 N LYS A 73 -17.375 5.131 -23.069 1.00 1.52 N ATOM 1152 CA LYS A 73 -16.405 4.715 -24.081 1.00 1.35 C ATOM 1153 C LYS A 73 -16.930 3.430 -24.729 1.00 1.05 C ATOM 1154 O LYS A 73 -17.181 3.373 -25.932 1.00 1.79 O ATOM 1155 CB LYS A 73 -15.035 4.456 -23.435 1.00 1.94 C ATOM 1156 CG LYS A 73 -14.532 5.664 -22.638 1.00 2.32 C ATOM 1157 CD LYS A 73 -14.044 6.787 -23.562 1.00 2.93 C ATOM 1158 CE LYS A 73 -12.965 7.640 -22.892 1.00 3.52 C ATOM 1159 NZ LYS A 73 -11.687 6.886 -22.729 1.00 3.96 N ATOM 0 H LYS A 73 -17.496 4.446 -22.323 1.00 1.52 H new ATOM 0 HA LYS A 73 -16.281 5.499 -24.828 1.00 1.35 H new ATOM 0 HB2 LYS A 73 -15.104 3.591 -22.775 1.00 1.94 H new ATOM 0 HB3 LYS A 73 -14.311 4.208 -24.211 1.00 1.94 H new ATOM 0 HG2 LYS A 73 -15.333 6.039 -22.000 1.00 2.32 H new ATOM 0 HG3 LYS A 73 -13.720 5.354 -21.981 1.00 2.32 H new ATOM 0 HD2 LYS A 73 -13.649 6.356 -24.482 1.00 2.93 H new ATOM 0 HD3 LYS A 73 -14.886 7.419 -23.843 1.00 2.93 H new ATOM 0 HE2 LYS A 73 -12.786 8.535 -23.488 1.00 3.52 H new ATOM 0 HE3 LYS A 73 -13.318 7.973 -21.916 1.00 3.52 H new ATOM 0 HZ1 LYS A 73 -10.903 7.556 -22.598 1.00 3.96 H new ATOM 0 HZ2 LYS A 73 -11.754 6.265 -21.898 1.00 3.96 H new ATOM 0 HZ3 LYS A 73 -11.512 6.311 -23.578 1.00 3.96 H new ATOM 1173 N HIS A 74 -17.105 2.412 -23.886 1.00 0.67 N ATOM 1174 CA HIS A 74 -17.615 1.091 -24.275 1.00 0.38 C ATOM 1175 C HIS A 74 -18.222 0.460 -23.019 1.00 0.30 C ATOM 1176 O HIS A 74 -17.478 0.060 -22.121 1.00 0.37 O ATOM 1177 CB HIS A 74 -16.462 0.215 -24.809 1.00 0.64 C ATOM 1178 CG HIS A 74 -16.242 0.329 -26.291 1.00 0.91 C ATOM 1179 ND1 HIS A 74 -15.306 1.160 -26.854 1.00 1.30 N ATOM 1180 CD2 HIS A 74 -16.826 -0.299 -27.341 1.00 1.38 C ATOM 1181 CE1 HIS A 74 -15.310 1.057 -28.159 1.00 1.47 C ATOM 1182 NE2 HIS A 74 -16.233 0.171 -28.495 1.00 1.53 N ATOM 0 H HIS A 74 -16.892 2.481 -22.891 1.00 0.67 H new ATOM 0 HA HIS A 74 -18.361 1.177 -25.065 1.00 0.38 H new ATOM 0 HB2 HIS A 74 -15.542 0.490 -24.294 1.00 0.64 H new ATOM 0 HB3 HIS A 74 -16.667 -0.827 -24.562 1.00 0.64 H new ATOM 0 HD2 HIS A 74 -17.614 -1.035 -27.284 1.00 1.38 H new ATOM 0 HE1 HIS A 74 -14.672 1.600 -28.841 1.00 1.47 H new ATOM 0 HE2 HIS A 74 -16.467 -0.116 -29.445 1.00 1.53 H new ATOM 1190 N VAL A 75 -19.564 0.411 -22.928 1.00 0.26 N ATOM 1191 CA VAL A 75 -20.238 -0.132 -21.736 1.00 0.23 C ATOM 1192 C VAL A 75 -20.948 -1.459 -22.038 1.00 0.22 C ATOM 1193 O VAL A 75 -21.305 -1.747 -23.180 1.00 0.26 O ATOM 1194 CB VAL A 75 -21.254 0.910 -21.209 1.00 0.25 C ATOM 1195 CG1 VAL A 75 -21.860 0.493 -19.865 1.00 0.28 C ATOM 1196 CG2 VAL A 75 -20.606 2.290 -21.077 1.00 0.31 C ATOM 0 H VAL A 75 -20.197 0.738 -23.658 1.00 0.26 H new ATOM 0 HA VAL A 75 -19.483 -0.334 -20.976 1.00 0.23 H new ATOM 0 HB VAL A 75 -22.059 0.961 -21.942 1.00 0.25 H new ATOM 0 HG11 VAL A 75 -22.567 1.253 -19.533 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -22.378 -0.459 -19.979 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -21.067 0.388 -19.125 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -21.341 3.003 -20.705 1.00 0.31 H new ATOM 0 HG22 VAL A 75 -19.770 2.234 -20.380 1.00 0.31 H new ATOM 0 HG23 VAL A 75 -20.244 2.617 -22.052 1.00 0.31 H new ATOM 1206 N PHE A 76 -21.172 -2.238 -20.983 1.00 0.22 N ATOM 1207 CA PHE A 76 -21.872 -3.517 -21.060 1.00 0.23 C ATOM 1208 C PHE A 76 -22.543 -3.781 -19.714 1.00 0.22 C ATOM 1209 O PHE A 76 -21.957 -3.549 -18.654 1.00 0.27 O ATOM 1210 CB PHE A 76 -20.937 -4.667 -21.464 1.00 0.26 C ATOM 1211 CG PHE A 76 -19.802 -4.956 -20.498 1.00 0.24 C ATOM 1212 CD1 PHE A 76 -18.601 -4.269 -20.608 1.00 0.26 C ATOM 1213 CD2 PHE A 76 -19.973 -5.878 -19.479 1.00 0.27 C ATOM 1214 CE1 PHE A 76 -17.580 -4.503 -19.702 1.00 0.28 C ATOM 1215 CE2 PHE A 76 -18.947 -6.117 -18.579 1.00 0.29 C ATOM 1216 CZ PHE A 76 -17.704 -5.541 -18.781 1.00 0.29 C ATOM 0 H PHE A 76 -20.869 -1.996 -20.040 1.00 0.22 H new ATOM 0 HA PHE A 76 -22.629 -3.464 -21.843 1.00 0.23 H new ATOM 0 HB2 PHE A 76 -21.532 -5.573 -21.579 1.00 0.26 H new ATOM 0 HB3 PHE A 76 -20.510 -4.439 -22.441 1.00 0.26 H new ATOM 0 HD1 PHE A 76 -18.462 -3.550 -21.402 1.00 0.26 H new ATOM 0 HD2 PHE A 76 -20.907 -6.412 -19.386 1.00 0.27 H new ATOM 0 HE1 PHE A 76 -16.694 -3.885 -19.709 1.00 0.28 H new ATOM 0 HE2 PHE A 76 -19.116 -6.751 -17.722 1.00 0.29 H new ATOM 0 HZ PHE A 76 -16.842 -5.892 -18.232 1.00 0.29 H new ATOM 1226 N LYS A 77 -23.785 -4.239 -19.763 1.00 0.23 N ATOM 1227 CA LYS A 77 -24.564 -4.510 -18.554 1.00 0.28 C ATOM 1228 C LYS A 77 -24.427 -5.970 -18.142 1.00 0.31 C ATOM 1229 O LYS A 77 -24.663 -6.872 -18.948 1.00 0.58 O ATOM 1230 CB LYS A 77 -26.054 -4.184 -18.768 1.00 0.36 C ATOM 1231 CG LYS A 77 -26.293 -3.199 -19.919 1.00 1.20 C ATOM 1232 CD LYS A 77 -27.675 -2.539 -19.816 1.00 1.33 C ATOM 1233 CE LYS A 77 -28.817 -3.555 -19.981 1.00 1.76 C ATOM 1234 NZ LYS A 77 -29.391 -3.526 -21.358 1.00 1.95 N ATOM 0 H LYS A 77 -24.282 -4.433 -20.632 1.00 0.23 H new ATOM 0 HA LYS A 77 -24.171 -3.871 -17.763 1.00 0.28 H new ATOM 0 HB2 LYS A 77 -26.597 -5.108 -18.969 1.00 0.36 H new ATOM 0 HB3 LYS A 77 -26.464 -3.766 -17.849 1.00 0.36 H new ATOM 0 HG2 LYS A 77 -25.520 -2.431 -19.908 1.00 1.20 H new ATOM 0 HG3 LYS A 77 -26.209 -3.723 -20.871 1.00 1.20 H new ATOM 0 HD2 LYS A 77 -27.768 -2.044 -18.849 1.00 1.33 H new ATOM 0 HD3 LYS A 77 -27.765 -1.767 -20.580 1.00 1.33 H new ATOM 0 HE2 LYS A 77 -28.446 -4.557 -19.763 1.00 1.76 H new ATOM 0 HE3 LYS A 77 -29.602 -3.340 -19.256 1.00 1.76 H new ATOM 0 HZ1 LYS A 77 -29.626 -4.494 -21.657 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -30.253 -2.944 -21.363 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -28.695 -3.120 -22.016 1.00 1.95 H new ATOM 1248 N LEU A 78 -24.082 -6.188 -16.880 1.00 0.23 N ATOM 1249 CA LEU A 78 -23.943 -7.527 -16.317 1.00 0.24 C ATOM 1250 C LEU A 78 -25.159 -7.815 -15.444 1.00 0.29 C ATOM 1251 O LEU A 78 -25.357 -7.172 -14.407 1.00 0.36 O ATOM 1252 CB LEU A 78 -22.655 -7.629 -15.490 1.00 0.30 C ATOM 1253 CG LEU A 78 -21.690 -8.663 -16.073 1.00 0.48 C ATOM 1254 CD1 LEU A 78 -20.473 -8.823 -15.163 1.00 0.86 C ATOM 1255 CD2 LEU A 78 -22.385 -10.013 -16.276 1.00 0.30 C ATOM 0 H LEU A 78 -23.890 -5.439 -16.215 1.00 0.23 H new ATOM 0 HA LEU A 78 -23.884 -8.261 -17.121 1.00 0.24 H new ATOM 0 HB2 LEU A 78 -22.167 -6.655 -15.454 1.00 0.30 H new ATOM 0 HB3 LEU A 78 -22.902 -7.900 -14.463 1.00 0.30 H new ATOM 0 HG LEU A 78 -21.358 -8.305 -17.047 1.00 0.48 H new ATOM 0 HD11 LEU A 78 -19.794 -9.562 -15.590 1.00 0.86 H new ATOM 0 HD12 LEU A 78 -19.958 -7.867 -15.073 1.00 0.86 H new ATOM 0 HD13 LEU A 78 -20.797 -9.155 -14.177 1.00 0.86 H new ATOM 0 HD21 LEU A 78 -21.676 -10.729 -16.691 1.00 0.30 H new ATOM 0 HD22 LEU A 78 -22.753 -10.381 -15.318 1.00 0.30 H new ATOM 0 HD23 LEU A 78 -23.222 -9.892 -16.963 1.00 0.30 H new ATOM 1267 N ARG A 79 -25.968 -8.769 -15.873 1.00 0.31 N ATOM 1268 CA ARG A 79 -27.175 -9.155 -15.159 1.00 0.40 C ATOM 1269 C ARG A 79 -26.941 -10.477 -14.442 1.00 0.45 C ATOM 1270 O ARG A 79 -26.946 -11.551 -15.053 1.00 0.51 O ATOM 1271 CB ARG A 79 -28.339 -9.243 -16.147 1.00 0.50 C ATOM 1272 CG ARG A 79 -28.650 -7.857 -16.714 1.00 1.11 C ATOM 1273 CD ARG A 79 -29.779 -7.891 -17.745 1.00 1.51 C ATOM 1274 NE ARG A 79 -30.223 -6.527 -18.051 1.00 1.91 N ATOM 1275 CZ ARG A 79 -31.475 -6.255 -18.396 1.00 2.46 C ATOM 1276 NH1 ARG A 79 -31.910 -6.572 -19.606 1.00 2.93 N ATOM 1277 NH2 ARG A 79 -32.279 -5.665 -17.522 1.00 2.99 N ATOM 0 H ARG A 79 -25.806 -9.300 -16.729 1.00 0.31 H new ATOM 0 HA ARG A 79 -27.426 -8.408 -14.406 1.00 0.40 H new ATOM 0 HB2 ARG A 79 -28.088 -9.928 -16.957 1.00 0.50 H new ATOM 0 HB3 ARG A 79 -29.220 -9.647 -15.649 1.00 0.50 H new ATOM 0 HG2 ARG A 79 -28.925 -7.187 -15.899 1.00 1.11 H new ATOM 0 HG3 ARG A 79 -27.752 -7.446 -17.175 1.00 1.11 H new ATOM 0 HD2 ARG A 79 -29.436 -8.383 -18.655 1.00 1.51 H new ATOM 0 HD3 ARG A 79 -30.615 -8.476 -17.362 1.00 1.51 H new ATOM 0 HE ARG A 79 -29.548 -5.764 -17.997 1.00 1.91 H new ATOM 0 HH11 ARG A 79 -31.283 -7.025 -20.271 1.00 2.93 H new ATOM 0 HH12 ARG A 79 -32.872 -6.364 -19.873 1.00 2.93 H new ATOM 0 HH21 ARG A 79 -31.933 -5.424 -16.593 1.00 2.99 H new ATOM 0 HH22 ARG A 79 -33.243 -5.452 -17.779 1.00 2.99 H new ATOM 1291 N LEU A 80 -26.725 -10.380 -13.137 1.00 0.54 N ATOM 1292 CA LEU A 80 -26.476 -11.546 -12.289 1.00 0.68 C ATOM 1293 C LEU A 80 -27.796 -12.245 -11.974 1.00 0.84 C ATOM 1294 O LEU A 80 -28.792 -11.583 -11.669 1.00 1.06 O ATOM 1295 CB LEU A 80 -25.801 -11.119 -10.976 1.00 0.82 C ATOM 1296 CG LEU A 80 -24.650 -10.122 -11.198 1.00 0.82 C ATOM 1297 CD1 LEU A 80 -23.906 -9.868 -9.888 1.00 1.06 C ATOM 1298 CD2 LEU A 80 -23.678 -10.613 -12.271 1.00 1.26 C ATOM 0 H LEU A 80 -26.717 -9.493 -12.633 1.00 0.54 H new ATOM 0 HA LEU A 80 -25.816 -12.230 -12.822 1.00 0.68 H new ATOM 0 HB2 LEU A 80 -26.545 -10.668 -10.319 1.00 0.82 H new ATOM 0 HB3 LEU A 80 -25.418 -12.002 -10.465 1.00 0.82 H new ATOM 0 HG LEU A 80 -25.087 -9.186 -11.547 1.00 0.82 H new ATOM 0 HD11 LEU A 80 -23.095 -9.161 -10.061 1.00 1.06 H new ATOM 0 HD12 LEU A 80 -24.596 -9.455 -9.152 1.00 1.06 H new ATOM 0 HD13 LEU A 80 -23.496 -10.806 -9.515 1.00 1.06 H new ATOM 0 HD21 LEU A 80 -22.879 -9.883 -12.400 1.00 1.26 H new ATOM 0 HD22 LEU A 80 -23.251 -11.568 -11.965 1.00 1.26 H new ATOM 0 HD23 LEU A 80 -24.210 -10.739 -13.214 1.00 1.26 H new ATOM 1310 N SER A 81 -27.800 -13.574 -12.022 1.00 1.01 N ATOM 1311 CA SER A 81 -29.001 -14.361 -11.722 1.00 1.23 C ATOM 1312 C SER A 81 -29.194 -14.486 -10.201 1.00 1.40 C ATOM 1313 O SER A 81 -29.608 -15.532 -9.696 1.00 1.92 O ATOM 1314 CB SER A 81 -28.880 -15.749 -12.363 1.00 1.52 C ATOM 1315 OG SER A 81 -28.585 -15.637 -13.754 1.00 2.18 O ATOM 0 H SER A 81 -26.983 -14.134 -12.266 1.00 1.01 H new ATOM 0 HA SER A 81 -29.872 -13.853 -12.135 1.00 1.23 H new ATOM 0 HB2 SER A 81 -28.096 -16.318 -11.864 1.00 1.52 H new ATOM 0 HB3 SER A 81 -29.810 -16.301 -12.227 1.00 1.52 H new ATOM 0 HG SER A 81 -27.709 -16.037 -13.936 1.00 2.18 H new ATOM 1321 N ASP A 82 -28.898 -13.398 -9.487 1.00 1.33 N ATOM 1322 CA ASP A 82 -29.032 -13.332 -8.025 1.00 1.76 C ATOM 1323 C ASP A 82 -29.658 -11.987 -7.629 1.00 1.31 C ATOM 1324 O ASP A 82 -29.403 -11.465 -6.542 1.00 1.74 O ATOM 1325 CB ASP A 82 -27.650 -13.506 -7.359 1.00 2.76 C ATOM 1326 CG ASP A 82 -27.788 -14.105 -5.961 1.00 3.46 C ATOM 1327 OD1 ASP A 82 -28.205 -15.277 -5.854 1.00 3.77 O ATOM 1328 OD2 ASP A 82 -27.473 -13.410 -4.971 1.00 3.98 O ATOM 0 H ASP A 82 -28.557 -12.533 -9.906 1.00 1.33 H new ATOM 0 HA ASP A 82 -29.681 -14.138 -7.682 1.00 1.76 H new ATOM 0 HB2 ASP A 82 -27.024 -14.152 -7.975 1.00 2.76 H new ATOM 0 HB3 ASP A 82 -27.148 -12.540 -7.297 1.00 2.76 H new ATOM 1333 N GLY A 83 -30.481 -11.432 -8.529 1.00 1.09 N ATOM 1334 CA GLY A 83 -31.157 -10.150 -8.306 1.00 1.53 C ATOM 1335 C GLY A 83 -30.151 -9.002 -8.190 1.00 1.31 C ATOM 1336 O GLY A 83 -30.160 -8.269 -7.181 1.00 1.88 O ATOM 0 H GLY A 83 -30.696 -11.859 -9.430 1.00 1.09 H new ATOM 0 HA2 GLY A 83 -31.845 -9.952 -9.128 1.00 1.53 H new ATOM 0 HA3 GLY A 83 -31.755 -10.205 -7.396 1.00 1.53 H new ATOM 1340 N ASN A 84 -29.280 -8.852 -9.220 1.00 0.93 N ATOM 1341 CA ASN A 84 -28.252 -7.805 -9.241 1.00 0.71 C ATOM 1342 C ASN A 84 -28.030 -7.363 -10.687 1.00 0.62 C ATOM 1343 O ASN A 84 -28.046 -8.201 -11.594 1.00 0.65 O ATOM 1344 CB ASN A 84 -26.934 -8.352 -8.647 1.00 0.84 C ATOM 1345 CG ASN A 84 -26.667 -7.819 -7.232 1.00 1.02 C ATOM 1346 OD1 ASN A 84 -25.557 -7.402 -6.924 1.00 1.73 O ATOM 1347 ND2 ASN A 84 -27.673 -7.836 -6.367 1.00 1.32 N ATOM 0 H ASN A 84 -29.278 -9.451 -10.046 1.00 0.93 H new ATOM 0 HA ASN A 84 -28.577 -6.954 -8.642 1.00 0.71 H new ATOM 0 HB2 ASN A 84 -26.974 -9.441 -8.621 1.00 0.84 H new ATOM 0 HB3 ASN A 84 -26.104 -8.079 -9.298 1.00 0.84 H new ATOM 0 HD21 ASN A 84 -27.533 -7.496 -5.416 1.00 1.32 H new ATOM 0 HD22 ASN A 84 -28.586 -8.189 -6.653 1.00 1.32 H new ATOM 1354 N GLU A 85 -27.831 -6.058 -10.892 1.00 0.59 N ATOM 1355 CA GLU A 85 -27.608 -5.479 -12.224 1.00 0.55 C ATOM 1356 C GLU A 85 -26.516 -4.401 -12.136 1.00 0.47 C ATOM 1357 O GLU A 85 -26.710 -3.367 -11.487 1.00 0.60 O ATOM 1358 CB GLU A 85 -28.912 -4.861 -12.751 1.00 0.70 C ATOM 1359 CG GLU A 85 -29.906 -5.933 -13.206 1.00 1.16 C ATOM 1360 CD GLU A 85 -31.075 -5.287 -13.941 1.00 1.18 C ATOM 1361 OE1 GLU A 85 -31.958 -4.712 -13.277 1.00 1.39 O ATOM 1362 OE2 GLU A 85 -31.111 -5.345 -15.185 1.00 1.43 O ATOM 0 H GLU A 85 -27.820 -5.370 -10.139 1.00 0.59 H new ATOM 0 HA GLU A 85 -27.287 -6.263 -12.910 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -29.367 -4.251 -11.970 1.00 0.70 H new ATOM 0 HB3 GLU A 85 -28.688 -4.196 -13.585 1.00 0.70 H new ATOM 0 HG2 GLU A 85 -29.407 -6.649 -13.859 1.00 1.16 H new ATOM 0 HG3 GLU A 85 -30.272 -6.490 -12.343 1.00 1.16 H new ATOM 1369 N TYR A 86 -25.372 -4.647 -12.783 1.00 0.33 N ATOM 1370 CA TYR A 86 -24.238 -3.705 -12.773 1.00 0.31 C ATOM 1371 C TYR A 86 -23.849 -3.286 -14.196 1.00 0.29 C ATOM 1372 O TYR A 86 -23.789 -4.122 -15.097 1.00 0.40 O ATOM 1373 CB TYR A 86 -23.008 -4.361 -12.123 1.00 0.37 C ATOM 1374 CG TYR A 86 -23.143 -4.619 -10.642 1.00 0.41 C ATOM 1375 CD1 TYR A 86 -23.029 -3.575 -9.739 1.00 0.57 C ATOM 1376 CD2 TYR A 86 -23.362 -5.906 -10.182 1.00 0.53 C ATOM 1377 CE1 TYR A 86 -23.131 -3.821 -8.379 1.00 0.67 C ATOM 1378 CE2 TYR A 86 -23.467 -6.149 -8.825 1.00 0.62 C ATOM 1379 CZ TYR A 86 -23.351 -5.103 -7.926 1.00 0.63 C ATOM 1380 OH TYR A 86 -23.446 -5.340 -6.574 1.00 0.77 O ATOM 0 H TYR A 86 -25.202 -5.495 -13.324 1.00 0.33 H new ATOM 0 HA TYR A 86 -24.552 -2.828 -12.206 1.00 0.31 H new ATOM 0 HB2 TYR A 86 -22.808 -5.307 -12.627 1.00 0.37 H new ATOM 0 HB3 TYR A 86 -22.141 -3.722 -12.290 1.00 0.37 H new ATOM 0 HD1 TYR A 86 -22.861 -2.569 -10.095 1.00 0.57 H new ATOM 0 HD2 TYR A 86 -23.451 -6.722 -10.884 1.00 0.53 H new ATOM 0 HE1 TYR A 86 -23.038 -3.008 -7.675 1.00 0.67 H new ATOM 0 HE2 TYR A 86 -23.639 -7.153 -8.467 1.00 0.62 H new ATOM 0 HH TYR A 86 -24.319 -5.036 -6.249 1.00 0.77 H new ATOM 1390 N LEU A 87 -23.524 -2.002 -14.368 1.00 0.24 N ATOM 1391 CA LEU A 87 -23.067 -1.473 -15.657 1.00 0.23 C ATOM 1392 C LEU A 87 -21.542 -1.418 -15.626 1.00 0.22 C ATOM 1393 O LEU A 87 -20.969 -0.713 -14.789 1.00 0.32 O ATOM 1394 CB LEU A 87 -23.610 -0.056 -15.911 1.00 0.26 C ATOM 1395 CG LEU A 87 -25.131 -0.019 -16.081 1.00 0.34 C ATOM 1396 CD1 LEU A 87 -25.563 1.350 -16.618 1.00 0.35 C ATOM 1397 CD2 LEU A 87 -25.606 -1.133 -17.012 1.00 0.38 C ATOM 0 H LEU A 87 -23.569 -1.305 -13.625 1.00 0.24 H new ATOM 0 HA LEU A 87 -23.430 -2.121 -16.455 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -23.327 0.590 -15.080 1.00 0.26 H new ATOM 0 HB3 LEU A 87 -23.140 0.352 -16.806 1.00 0.26 H new ATOM 0 HG LEU A 87 -25.591 -0.180 -15.106 1.00 0.34 H new ATOM 0 HD11 LEU A 87 -26.646 1.369 -16.736 1.00 0.35 H new ATOM 0 HD12 LEU A 87 -25.261 2.128 -15.917 1.00 0.35 H new ATOM 0 HD13 LEU A 87 -25.089 1.528 -17.583 1.00 0.35 H new ATOM 0 HD21 LEU A 87 -26.690 -1.084 -17.115 1.00 0.38 H new ATOM 0 HD22 LEU A 87 -25.142 -1.011 -17.991 1.00 0.38 H new ATOM 0 HD23 LEU A 87 -25.325 -2.100 -16.595 1.00 0.38 H new ATOM 1409 N PHE A 88 -20.890 -2.153 -16.520 1.00 0.18 N ATOM 1410 CA PHE A 88 -19.425 -2.183 -16.588 1.00 0.19 C ATOM 1411 C PHE A 88 -18.954 -1.491 -17.855 1.00 0.20 C ATOM 1412 O PHE A 88 -19.601 -1.582 -18.894 1.00 0.27 O ATOM 1413 CB PHE A 88 -18.920 -3.624 -16.562 1.00 0.20 C ATOM 1414 CG PHE A 88 -18.925 -4.210 -15.176 1.00 0.20 C ATOM 1415 CD1 PHE A 88 -17.923 -3.877 -14.283 1.00 0.21 C ATOM 1416 CD2 PHE A 88 -19.930 -5.074 -14.796 1.00 0.24 C ATOM 1417 CE1 PHE A 88 -17.930 -4.405 -13.009 1.00 0.22 C ATOM 1418 CE2 PHE A 88 -19.941 -5.607 -13.520 1.00 0.25 C ATOM 1419 CZ PHE A 88 -18.942 -5.276 -12.627 1.00 0.22 C ATOM 0 H PHE A 88 -21.352 -2.741 -17.214 1.00 0.18 H new ATOM 0 HA PHE A 88 -19.023 -1.658 -15.722 1.00 0.19 H new ATOM 0 HB2 PHE A 88 -19.543 -4.236 -17.214 1.00 0.20 H new ATOM 0 HB3 PHE A 88 -17.907 -3.658 -16.964 1.00 0.20 H new ATOM 0 HD1 PHE A 88 -17.134 -3.203 -14.583 1.00 0.21 H new ATOM 0 HD2 PHE A 88 -20.710 -5.335 -15.496 1.00 0.24 H new ATOM 0 HE1 PHE A 88 -17.150 -4.142 -12.310 1.00 0.22 H new ATOM 0 HE2 PHE A 88 -20.730 -6.281 -13.223 1.00 0.25 H new ATOM 0 HZ PHE A 88 -18.947 -5.694 -11.631 1.00 0.22 H new ATOM 1429 N GLN A 89 -17.829 -0.792 -17.769 1.00 0.23 N ATOM 1430 CA GLN A 89 -17.285 -0.072 -18.915 1.00 0.26 C ATOM 1431 C GLN A 89 -15.777 -0.294 -19.025 1.00 0.22 C ATOM 1432 O GLN A 89 -15.036 -0.160 -18.043 1.00 0.25 O ATOM 1433 CB GLN A 89 -17.649 1.418 -18.785 1.00 0.32 C ATOM 1434 CG GLN A 89 -16.565 2.361 -19.316 1.00 0.52 C ATOM 1435 CD GLN A 89 -17.087 3.795 -19.381 1.00 0.75 C ATOM 1436 OE1 GLN A 89 -17.006 4.444 -20.420 1.00 1.34 O ATOM 1437 NE2 GLN A 89 -17.625 4.288 -18.275 1.00 1.63 N ATOM 0 H GLN A 89 -17.275 -0.708 -16.917 1.00 0.23 H new ATOM 0 HA GLN A 89 -17.722 -0.453 -19.838 1.00 0.26 H new ATOM 0 HB2 GLN A 89 -18.578 1.605 -19.324 1.00 0.32 H new ATOM 0 HB3 GLN A 89 -17.837 1.648 -17.736 1.00 0.32 H new ATOM 0 HG2 GLN A 89 -15.688 2.316 -18.670 1.00 0.52 H new ATOM 0 HG3 GLN A 89 -16.248 2.038 -20.308 1.00 0.52 H new ATOM 0 HE21 GLN A 89 -17.673 3.715 -17.432 1.00 1.63 H new ATOM 0 HE22 GLN A 89 -17.991 5.240 -18.266 1.00 1.63 H new ATOM 1446 N ALA A 90 -15.343 -0.627 -20.239 1.00 0.22 N ATOM 1447 CA ALA A 90 -13.935 -0.879 -20.552 1.00 0.24 C ATOM 1448 C ALA A 90 -13.310 0.352 -21.220 1.00 0.27 C ATOM 1449 O ALA A 90 -13.987 1.360 -21.447 1.00 0.32 O ATOM 1450 CB ALA A 90 -13.835 -2.087 -21.485 1.00 0.29 C ATOM 0 H ALA A 90 -15.964 -0.731 -21.042 1.00 0.22 H new ATOM 0 HA ALA A 90 -13.393 -1.084 -19.629 1.00 0.24 H new ATOM 0 HB1 ALA A 90 -12.788 -2.279 -21.721 1.00 0.29 H new ATOM 0 HB2 ALA A 90 -14.263 -2.962 -20.995 1.00 0.29 H new ATOM 0 HB3 ALA A 90 -14.383 -1.883 -22.405 1.00 0.29 H new ATOM 1456 N LYS A 91 -12.019 0.265 -21.532 1.00 0.35 N ATOM 1457 CA LYS A 91 -11.297 1.374 -22.171 1.00 0.44 C ATOM 1458 C LYS A 91 -11.275 1.226 -23.699 1.00 0.49 C ATOM 1459 O LYS A 91 -11.327 2.222 -24.420 1.00 0.68 O ATOM 1460 CB LYS A 91 -9.864 1.436 -21.643 1.00 0.65 C ATOM 1461 CG LYS A 91 -9.825 1.624 -20.119 1.00 1.26 C ATOM 1462 CD LYS A 91 -9.233 0.410 -19.399 1.00 1.43 C ATOM 1463 CE LYS A 91 -7.820 0.071 -19.899 1.00 1.86 C ATOM 1464 NZ LYS A 91 -7.842 -1.035 -20.897 1.00 2.29 N ATOM 0 H LYS A 91 -11.447 -0.561 -21.354 1.00 0.35 H new ATOM 0 HA LYS A 91 -11.822 2.297 -21.926 1.00 0.44 H new ATOM 0 HB2 LYS A 91 -9.338 0.519 -21.910 1.00 0.65 H new ATOM 0 HB3 LYS A 91 -9.335 2.258 -22.124 1.00 0.65 H new ATOM 0 HG2 LYS A 91 -9.235 2.509 -19.879 1.00 1.26 H new ATOM 0 HG3 LYS A 91 -10.835 1.805 -19.751 1.00 1.26 H new ATOM 0 HD2 LYS A 91 -9.200 0.606 -18.327 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -9.885 -0.451 -19.546 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -7.370 0.957 -20.347 1.00 1.86 H new ATOM 0 HE3 LYS A 91 -7.193 -0.213 -19.054 1.00 1.86 H new ATOM 0 HZ1 LYS A 91 -7.468 -1.902 -20.462 1.00 2.29 H new ATOM 0 HZ2 LYS A 91 -8.820 -1.200 -21.211 1.00 2.29 H new ATOM 0 HZ3 LYS A 91 -7.254 -0.776 -21.715 1.00 2.29 H new ATOM 1478 N ASP A 92 -11.177 -0.013 -24.189 1.00 0.49 N ATOM 1479 CA ASP A 92 -11.126 -0.289 -25.639 1.00 0.66 C ATOM 1480 C ASP A 92 -12.178 -1.333 -26.044 1.00 0.59 C ATOM 1481 O ASP A 92 -12.659 -2.109 -25.213 1.00 0.75 O ATOM 1482 CB ASP A 92 -9.714 -0.784 -26.020 1.00 0.84 C ATOM 1483 CG ASP A 92 -9.478 -0.684 -27.529 1.00 1.34 C ATOM 1484 OD1 ASP A 92 -9.894 -1.597 -28.268 1.00 2.01 O ATOM 1485 OD2 ASP A 92 -8.867 0.309 -27.978 1.00 1.77 O ATOM 0 H ASP A 92 -11.131 -0.848 -23.605 1.00 0.49 H new ATOM 0 HA ASP A 92 -11.348 0.634 -26.174 1.00 0.66 H new ATOM 0 HB2 ASP A 92 -8.965 -0.194 -25.493 1.00 0.84 H new ATOM 0 HB3 ASP A 92 -9.590 -1.818 -25.698 1.00 0.84 H new ATOM 1490 N ASP A 93 -12.506 -1.352 -27.345 1.00 0.62 N ATOM 1491 CA ASP A 93 -13.475 -2.300 -27.931 1.00 0.63 C ATOM 1492 C ASP A 93 -12.982 -3.743 -27.753 1.00 0.49 C ATOM 1493 O ASP A 93 -13.759 -4.640 -27.416 1.00 0.54 O ATOM 1494 CB ASP A 93 -13.658 -1.977 -29.429 1.00 0.83 C ATOM 1495 CG ASP A 93 -14.604 -2.964 -30.121 1.00 1.55 C ATOM 1496 OD1 ASP A 93 -15.735 -3.156 -29.626 1.00 2.21 O ATOM 1497 OD2 ASP A 93 -14.221 -3.555 -31.147 1.00 2.13 O ATOM 0 H ASP A 93 -12.106 -0.707 -28.027 1.00 0.62 H new ATOM 0 HA ASP A 93 -14.433 -2.201 -27.420 1.00 0.63 H new ATOM 0 HB2 ASP A 93 -14.049 -0.965 -29.536 1.00 0.83 H new ATOM 0 HB3 ASP A 93 -12.688 -1.998 -29.925 1.00 0.83 H new ATOM 1502 N GLU A 94 -11.677 -3.948 -27.966 1.00 0.41 N ATOM 1503 CA GLU A 94 -11.054 -5.271 -27.821 1.00 0.41 C ATOM 1504 C GLU A 94 -11.160 -5.759 -26.371 1.00 0.36 C ATOM 1505 O GLU A 94 -11.438 -6.933 -26.118 1.00 0.41 O ATOM 1506 CB GLU A 94 -9.588 -5.207 -28.260 1.00 0.49 C ATOM 1507 CG GLU A 94 -9.472 -4.791 -29.732 1.00 1.21 C ATOM 1508 CD GLU A 94 -8.023 -4.843 -30.198 1.00 1.93 C ATOM 1509 OE1 GLU A 94 -7.166 -4.203 -29.561 1.00 2.43 O ATOM 1510 OE2 GLU A 94 -7.741 -5.512 -31.212 1.00 2.59 O ATOM 0 H GLU A 94 -11.028 -3.211 -28.241 1.00 0.41 H new ATOM 0 HA GLU A 94 -11.582 -5.981 -28.458 1.00 0.41 H new ATOM 0 HB2 GLU A 94 -9.048 -4.497 -27.634 1.00 0.49 H new ATOM 0 HB3 GLU A 94 -9.119 -6.180 -28.115 1.00 0.49 H new ATOM 0 HG2 GLU A 94 -10.081 -5.451 -30.350 1.00 1.21 H new ATOM 0 HG3 GLU A 94 -9.864 -3.782 -29.861 1.00 1.21 H new ATOM 1517 N GLU A 95 -10.969 -4.835 -25.425 1.00 0.31 N ATOM 1518 CA GLU A 95 -11.070 -5.140 -23.997 1.00 0.29 C ATOM 1519 C GLU A 95 -12.519 -5.499 -23.642 1.00 0.24 C ATOM 1520 O GLU A 95 -12.773 -6.508 -22.985 1.00 0.23 O ATOM 1521 CB GLU A 95 -10.604 -3.937 -23.171 1.00 0.33 C ATOM 1522 CG GLU A 95 -10.109 -4.366 -21.787 1.00 0.42 C ATOM 1523 CD GLU A 95 -10.218 -3.217 -20.793 1.00 0.84 C ATOM 1524 OE1 GLU A 95 -10.329 -2.057 -21.232 1.00 1.21 O ATOM 1525 OE2 GLU A 95 -10.207 -3.476 -19.568 1.00 1.30 O ATOM 0 H GLU A 95 -10.742 -3.861 -25.626 1.00 0.31 H new ATOM 0 HA GLU A 95 -10.430 -5.992 -23.767 1.00 0.29 H new ATOM 0 HB2 GLU A 95 -9.804 -3.418 -23.700 1.00 0.33 H new ATOM 0 HB3 GLU A 95 -11.425 -3.229 -23.062 1.00 0.33 H new ATOM 0 HG2 GLU A 95 -10.694 -5.215 -21.434 1.00 0.42 H new ATOM 0 HG3 GLU A 95 -9.073 -4.698 -21.853 1.00 0.42 H new ATOM 1532 N MET A 96 -13.466 -4.672 -24.107 1.00 0.24 N ATOM 1533 CA MET A 96 -14.904 -4.890 -23.868 1.00 0.22 C ATOM 1534 C MET A 96 -15.328 -6.275 -24.372 1.00 0.22 C ATOM 1535 O MET A 96 -16.045 -7.005 -23.686 1.00 0.23 O ATOM 1536 CB MET A 96 -15.720 -3.796 -24.575 1.00 0.26 C ATOM 1537 CG MET A 96 -17.197 -3.828 -24.165 1.00 0.39 C ATOM 1538 SD MET A 96 -18.256 -2.922 -25.309 1.00 0.94 S ATOM 1539 CE MET A 96 -18.064 -3.894 -26.814 1.00 0.77 C ATOM 0 H MET A 96 -13.261 -3.837 -24.656 1.00 0.24 H new ATOM 0 HA MET A 96 -15.094 -4.841 -22.796 1.00 0.22 H new ATOM 0 HB2 MET A 96 -15.299 -2.819 -24.338 1.00 0.26 H new ATOM 0 HB3 MET A 96 -15.640 -3.924 -25.654 1.00 0.26 H new ATOM 0 HG2 MET A 96 -17.532 -4.864 -24.109 1.00 0.39 H new ATOM 0 HG3 MET A 96 -17.302 -3.404 -23.166 1.00 0.39 H new ATOM 0 HE1 MET A 96 -18.940 -3.760 -27.448 1.00 0.77 H new ATOM 0 HE2 MET A 96 -17.174 -3.563 -27.350 1.00 0.77 H new ATOM 0 HE3 MET A 96 -17.961 -4.948 -26.556 1.00 0.77 H new ATOM 1549 N ASN A 97 -14.859 -6.632 -25.568 1.00 0.25 N ATOM 1550 CA ASN A 97 -15.161 -7.930 -26.181 1.00 0.28 C ATOM 1551 C ASN A 97 -14.577 -9.076 -25.342 1.00 0.26 C ATOM 1552 O ASN A 97 -15.224 -10.103 -25.147 1.00 0.29 O ATOM 1553 CB ASN A 97 -14.587 -7.966 -27.607 1.00 0.35 C ATOM 1554 CG ASN A 97 -15.375 -8.932 -28.493 1.00 0.49 C ATOM 1555 OD1 ASN A 97 -15.163 -10.142 -28.452 1.00 1.05 O ATOM 1556 ND2 ASN A 97 -16.289 -8.400 -29.289 1.00 1.24 N ATOM 0 H ASN A 97 -14.261 -6.034 -26.139 1.00 0.25 H new ATOM 0 HA ASN A 97 -16.242 -8.060 -26.222 1.00 0.28 H new ATOM 0 HB2 ASN A 97 -14.615 -6.966 -28.039 1.00 0.35 H new ATOM 0 HB3 ASN A 97 -13.541 -8.269 -27.574 1.00 0.35 H new ATOM 0 HD21 ASN A 97 -16.847 -8.999 -29.897 1.00 1.24 H new ATOM 0 HD22 ASN A 97 -16.435 -7.391 -29.294 1.00 1.24 H new ATOM 1563 N THR A 98 -13.357 -8.882 -24.832 1.00 0.25 N ATOM 1564 CA THR A 98 -12.687 -9.890 -23.999 1.00 0.27 C ATOM 1565 C THR A 98 -13.424 -10.075 -22.661 1.00 0.23 C ATOM 1566 O THR A 98 -13.601 -11.199 -22.198 1.00 0.27 O ATOM 1567 CB THR A 98 -11.221 -9.486 -23.752 1.00 0.31 C ATOM 1568 OG1 THR A 98 -10.579 -9.176 -24.984 1.00 0.38 O ATOM 1569 CG2 THR A 98 -10.449 -10.605 -23.040 1.00 0.39 C ATOM 0 H THR A 98 -12.810 -8.034 -24.981 1.00 0.25 H new ATOM 0 HA THR A 98 -12.706 -10.841 -24.531 1.00 0.27 H new ATOM 0 HB THR A 98 -11.224 -8.604 -23.111 1.00 0.31 H new ATOM 0 HG1 THR A 98 -10.708 -8.227 -25.190 1.00 0.38 H new ATOM 0 HG21 THR A 98 -9.418 -10.290 -22.880 1.00 0.39 H new ATOM 0 HG22 THR A 98 -10.918 -10.816 -22.079 1.00 0.39 H new ATOM 0 HG23 THR A 98 -10.462 -11.505 -23.655 1.00 0.39 H new ATOM 1577 N TRP A 99 -13.856 -8.964 -22.054 1.00 0.20 N ATOM 1578 CA TRP A 99 -14.577 -8.996 -20.771 1.00 0.20 C ATOM 1579 C TRP A 99 -15.912 -9.749 -20.901 1.00 0.21 C ATOM 1580 O TRP A 99 -16.197 -10.652 -20.114 1.00 0.24 O ATOM 1581 CB TRP A 99 -14.826 -7.562 -20.267 1.00 0.21 C ATOM 1582 CG TRP A 99 -13.679 -6.997 -19.484 1.00 0.22 C ATOM 1583 CD1 TRP A 99 -12.875 -5.949 -19.841 1.00 0.26 C ATOM 1584 CD2 TRP A 99 -13.212 -7.448 -18.196 1.00 0.22 C ATOM 1585 NE1 TRP A 99 -11.955 -5.743 -18.853 1.00 0.28 N ATOM 1586 CE2 TRP A 99 -12.127 -6.637 -17.839 1.00 0.26 C ATOM 1587 CE3 TRP A 99 -13.609 -8.459 -17.316 1.00 0.23 C ATOM 1588 CZ2 TRP A 99 -11.443 -6.808 -16.648 1.00 0.28 C ATOM 1589 CZ3 TRP A 99 -12.925 -8.637 -16.119 1.00 0.26 C ATOM 1590 CH2 TRP A 99 -11.851 -7.817 -15.789 1.00 0.29 C ATOM 0 H TRP A 99 -13.719 -8.026 -22.431 1.00 0.20 H new ATOM 0 HA TRP A 99 -13.957 -9.528 -20.049 1.00 0.20 H new ATOM 0 HB2 TRP A 99 -15.027 -6.915 -21.121 1.00 0.21 H new ATOM 0 HB3 TRP A 99 -15.720 -7.554 -19.644 1.00 0.21 H new ATOM 0 HD1 TRP A 99 -12.955 -5.378 -20.754 1.00 0.26 H new ATOM 0 HE1 TRP A 99 -11.237 -5.019 -18.872 1.00 0.28 H new ATOM 0 HE3 TRP A 99 -14.443 -9.099 -17.565 1.00 0.23 H new ATOM 0 HZ2 TRP A 99 -10.610 -6.170 -16.393 1.00 0.28 H new ATOM 0 HZ3 TRP A 99 -13.230 -9.419 -15.439 1.00 0.26 H new ATOM 0 HH2 TRP A 99 -11.330 -7.968 -14.855 1.00 0.29 H new ATOM 1601 N ILE A 100 -16.717 -9.373 -21.901 1.00 0.21 N ATOM 1602 CA ILE A 100 -18.026 -10.005 -22.147 1.00 0.24 C ATOM 1603 C ILE A 100 -17.874 -11.511 -22.419 1.00 0.28 C ATOM 1604 O ILE A 100 -18.669 -12.318 -21.938 1.00 0.34 O ATOM 1605 CB ILE A 100 -18.727 -9.301 -23.323 1.00 0.25 C ATOM 1606 CG1 ILE A 100 -19.098 -7.863 -22.936 1.00 0.25 C ATOM 1607 CG2 ILE A 100 -19.981 -10.068 -23.761 1.00 0.30 C ATOM 1608 CD1 ILE A 100 -19.723 -7.108 -24.111 1.00 0.29 C ATOM 0 H ILE A 100 -16.486 -8.629 -22.559 1.00 0.21 H new ATOM 0 HA ILE A 100 -18.640 -9.897 -21.253 1.00 0.24 H new ATOM 0 HB ILE A 100 -18.033 -9.278 -24.163 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -19.797 -7.879 -22.100 1.00 0.25 H new ATOM 0 HG13 ILE A 100 -18.207 -7.335 -22.596 1.00 0.25 H new ATOM 0 HG21 ILE A 100 -20.454 -9.547 -24.593 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -19.701 -11.074 -24.075 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -20.680 -10.130 -22.927 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -19.973 -6.094 -23.800 1.00 0.29 H new ATOM 0 HD12 ILE A 100 -19.014 -7.070 -24.938 1.00 0.29 H new ATOM 0 HD13 ILE A 100 -20.628 -7.622 -24.433 1.00 0.29 H new ATOM 1620 N GLN A 101 -16.843 -11.887 -23.182 1.00 0.29 N ATOM 1621 CA GLN A 101 -16.587 -13.297 -23.504 1.00 0.35 C ATOM 1622 C GLN A 101 -16.053 -14.054 -22.281 1.00 0.36 C ATOM 1623 O GLN A 101 -16.481 -15.176 -22.011 1.00 0.43 O ATOM 1624 CB GLN A 101 -15.593 -13.400 -24.669 1.00 0.40 C ATOM 1625 CG GLN A 101 -16.207 -12.894 -25.985 1.00 0.48 C ATOM 1626 CD GLN A 101 -17.257 -13.871 -26.518 1.00 1.05 C ATOM 1627 OE1 GLN A 101 -17.240 -15.060 -26.198 1.00 1.81 O ATOM 1628 NE2 GLN A 101 -18.170 -13.372 -27.337 1.00 1.76 N ATOM 0 H GLN A 101 -16.171 -11.236 -23.589 1.00 0.29 H new ATOM 0 HA GLN A 101 -17.530 -13.756 -23.800 1.00 0.35 H new ATOM 0 HB2 GLN A 101 -14.699 -12.820 -24.438 1.00 0.40 H new ATOM 0 HB3 GLN A 101 -15.278 -14.437 -24.789 1.00 0.40 H new ATOM 0 HG2 GLN A 101 -16.664 -11.917 -25.824 1.00 0.48 H new ATOM 0 HG3 GLN A 101 -15.421 -12.760 -26.728 1.00 0.48 H new ATOM 0 HE21 GLN A 101 -18.151 -12.381 -27.579 1.00 1.76 H new ATOM 0 HE22 GLN A 101 -18.892 -13.978 -27.726 1.00 1.76 H new ATOM 1637 N ALA A 102 -15.128 -13.435 -21.539 1.00 0.32 N ATOM 1638 CA ALA A 102 -14.538 -14.044 -20.335 1.00 0.37 C ATOM 1639 C ALA A 102 -15.614 -14.393 -19.300 1.00 0.38 C ATOM 1640 O ALA A 102 -15.546 -15.435 -18.658 1.00 0.48 O ATOM 1641 CB ALA A 102 -13.511 -13.093 -19.716 1.00 0.38 C ATOM 0 H ALA A 102 -14.767 -12.505 -21.751 1.00 0.32 H new ATOM 0 HA ALA A 102 -14.044 -14.968 -20.635 1.00 0.37 H new ATOM 0 HB1 ALA A 102 -13.080 -13.552 -18.826 1.00 0.38 H new ATOM 0 HB2 ALA A 102 -12.721 -12.890 -20.439 1.00 0.38 H new ATOM 0 HB3 ALA A 102 -14.000 -12.158 -19.442 1.00 0.38 H new ATOM 1647 N ILE A 103 -16.613 -13.522 -19.163 1.00 0.33 N ATOM 1648 CA ILE A 103 -17.727 -13.726 -18.223 1.00 0.38 C ATOM 1649 C ILE A 103 -18.557 -14.972 -18.603 1.00 0.47 C ATOM 1650 O ILE A 103 -19.156 -15.613 -17.739 1.00 0.55 O ATOM 1651 CB ILE A 103 -18.597 -12.459 -18.217 1.00 0.37 C ATOM 1652 CG1 ILE A 103 -17.867 -11.328 -17.469 1.00 0.35 C ATOM 1653 CG2 ILE A 103 -19.977 -12.706 -17.588 1.00 0.49 C ATOM 1654 CD1 ILE A 103 -18.229 -9.945 -18.012 1.00 0.35 C ATOM 0 H ILE A 103 -16.678 -12.655 -19.697 1.00 0.33 H new ATOM 0 HA ILE A 103 -17.333 -13.904 -17.222 1.00 0.38 H new ATOM 0 HB ILE A 103 -18.762 -12.167 -19.254 1.00 0.37 H new ATOM 0 HG12 ILE A 103 -18.116 -11.376 -16.409 1.00 0.35 H new ATOM 0 HG13 ILE A 103 -16.790 -11.477 -17.550 1.00 0.35 H new ATOM 0 HG21 ILE A 103 -20.556 -11.782 -17.606 1.00 0.49 H new ATOM 0 HG22 ILE A 103 -20.503 -13.475 -18.154 1.00 0.49 H new ATOM 0 HG23 ILE A 103 -19.853 -13.036 -16.557 1.00 0.49 H new ATOM 0 HD11 ILE A 103 -17.689 -9.181 -17.452 1.00 0.35 H new ATOM 0 HD12 ILE A 103 -17.955 -9.884 -19.065 1.00 0.35 H new ATOM 0 HD13 ILE A 103 -19.302 -9.782 -17.906 1.00 0.35 H new ATOM 1666 N SER A 104 -18.593 -15.303 -19.899 1.00 0.53 N ATOM 1667 CA SER A 104 -19.349 -16.465 -20.395 1.00 0.66 C ATOM 1668 C SER A 104 -18.455 -17.710 -20.559 1.00 0.72 C ATOM 1669 O SER A 104 -18.969 -18.814 -20.759 1.00 0.89 O ATOM 1670 CB SER A 104 -19.983 -16.117 -21.747 1.00 0.81 C ATOM 1671 OG SER A 104 -20.655 -14.863 -21.692 1.00 1.05 O ATOM 0 H SER A 104 -18.106 -14.782 -20.628 1.00 0.53 H new ATOM 0 HA SER A 104 -20.118 -16.701 -19.659 1.00 0.66 H new ATOM 0 HB2 SER A 104 -19.211 -16.086 -22.516 1.00 0.81 H new ATOM 0 HB3 SER A 104 -20.687 -16.898 -22.033 1.00 0.81 H new ATOM 0 HG SER A 104 -20.005 -14.138 -21.802 1.00 1.05 H new ATOM 1677 N SER A 105 -17.131 -17.523 -20.515 1.00 0.80 N ATOM 1678 CA SER A 105 -16.169 -18.626 -20.704 1.00 1.13 C ATOM 1679 C SER A 105 -15.425 -19.010 -19.411 1.00 1.23 C ATOM 1680 O SER A 105 -14.739 -20.036 -19.384 1.00 1.61 O ATOM 1681 CB SER A 105 -15.151 -18.233 -21.785 1.00 1.48 C ATOM 1682 OG SER A 105 -15.801 -17.619 -22.897 1.00 1.63 O ATOM 0 H SER A 105 -16.695 -16.616 -20.350 1.00 0.80 H new ATOM 0 HA SER A 105 -16.742 -19.501 -21.010 1.00 1.13 H new ATOM 0 HB2 SER A 105 -14.415 -17.548 -21.365 1.00 1.48 H new ATOM 0 HB3 SER A 105 -14.609 -19.118 -22.119 1.00 1.48 H new ATOM 0 HG SER A 105 -16.042 -16.697 -22.667 1.00 1.63 H new ATOM 1688 N ALA A 106 -15.535 -18.197 -18.359 1.00 1.29 N ATOM 1689 CA ALA A 106 -14.853 -18.465 -17.084 1.00 1.59 C ATOM 1690 C ALA A 106 -15.835 -18.352 -15.922 1.00 2.40 C ATOM 1691 O ALA A 106 -16.740 -17.500 -15.982 1.00 3.00 O ATOM 1692 CB ALA A 106 -13.704 -17.475 -16.893 1.00 1.90 C ATOM 1693 OXT ALA A 106 -15.704 -19.131 -14.953 1.00 3.05 O ATOM 0 H ALA A 106 -16.092 -17.342 -18.362 1.00 1.29 H new ATOM 0 HA ALA A 106 -14.454 -19.479 -17.106 1.00 1.59 H new ATOM 0 HB1 ALA A 106 -13.202 -17.678 -15.947 1.00 1.90 H new ATOM 0 HB2 ALA A 106 -12.992 -17.582 -17.711 1.00 1.90 H new ATOM 0 HB3 ALA A 106 -14.097 -16.458 -16.884 1.00 1.90 H new TER 1699 ALA A 106