USER MOD reduce.3.24.130724 H: found=0, std=0, add=1061, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1055 hydrogens (84 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 114 SER OG : rot 35:sc= 0.507 USER MOD Set 1.2: A 115 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 99 HIS : no HD1:sc= -1.64! C(o=-0.69!,f=-6.7!) USER MOD Set 2.2: A 112 SER OG : rot -88:sc= 0.959 USER MOD Set 3.1: A 59 THR OG1 : rot 124:sc= -0.33 USER MOD Set 3.2: A 74 MET CE :methyl -144:sc= -0.743 (180deg=-1.3) USER MOD Set 4.1: A 52 HIS : no HD1:sc= 0 X(o=0.42,f=0.29) USER MOD Set 4.2: A 58 THR OG1 : rot 23:sc= 0.417 USER MOD Set 5.1: A 38 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 51 GLN : amide:sc= -0.922 K(o=-0.92,f=-0.38) USER MOD Set 6.1: A 27 LYS NZ :NH3+ 174:sc= 1.3 (180deg=1.22) USER MOD Set 6.2: A 200 CHO OT2 : rot 166:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 140:sc= -2.48! USER MOD Single : A 5 LYS NZ :NH3+ -179:sc= 1.23 (180deg=1.17) USER MOD Single : A 6 TYR OH : rot 70:sc= -0.362 USER MOD Single : A 10 SER OG : rot 180:sc=-0.000563 USER MOD Single : A 13 ASN : amide:sc= 0.511 K(o=0.51,f=-1.4!) USER MOD Single : A 14 TYR OH : rot -163:sc= 1.26 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl -124:sc= -0.572 (180deg=-0.781) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 CYS SG : rot 50:sc= -2.62 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.0703 K(o=-0.07,f=-1.2!) USER MOD Single : A 43 ASN : amide:sc= -0.357 X(o=-0.36,f=-0.28) USER MOD Single : A 45 ASN : amide:sc= -1.05 X(o=-1.1,f=-1.2) USER MOD Single : A 48 THR OG1 : rot 33:sc= 1.09 USER MOD Single : A 50 THR OG1 : rot 90:sc= -0.118 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.966 USER MOD Single : A 61 ASN : amide:sc= 0.417 K(o=0.42,f=-3.3!) USER MOD Single : A 62 SER OG : rot 180:sc= -0.609 USER MOD Single : A 64 THR OG1 : rot 16:sc= 1.01 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl -169:sc= -2.63 (180deg=-3.27) USER MOD Single : A 73 THR OG1 : rot 125:sc= -0.369 USER MOD Single : A 78 LYS NZ :NH3+ 168:sc= 1.25 (180deg=1.02) USER MOD Single : A 80 LYS NZ :NH3+ -135:sc= 2.07 (180deg=-0.966!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 174:sc= -1.13 (180deg=-1.3) USER MOD Single : A 89 LYS NZ :NH3+ -154:sc= 1.26 (180deg=1.19) USER MOD Single : A 96 ASN : amide:sc= 0.711 K(o=0.71,f=-5.2!) USER MOD Single : A 97 TYR OH : rot 130:sc= 0.186 USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.664 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 130:sc= 0.441 USER MOD Single : A 120 LYS NZ :NH3+ -163:sc= 1.24 (180deg=0.92) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ -136:sc= 1.24 (180deg=0.227) USER MOD Single : A 125 LYS NZ :NH3+ -140:sc= 0.347 (180deg=-0.00189) USER MOD Single : A 200 CHO O3 : rot 180:sc= 0 USER MOD Single : A 200 CHO O7 : rot -131:sc= -4.36! USER MOD Single : A 201 CHO O3 : rot 137:sc= 1.66 USER MOD Single : A 201 CHO O7 : rot -150:sc= -4.02! USER MOD Single : A 201 CHO OT2 : rot -100:sc= 0.216 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -13.461 -7.809 -5.470 1.00 1.11 N ATOM 2 CA ALA A 1 -12.942 -8.857 -4.560 1.00 0.53 C ATOM 3 C ALA A 1 -11.758 -8.352 -3.738 1.00 0.42 C ATOM 4 O ALA A 1 -10.702 -8.983 -3.715 1.00 0.51 O ATOM 5 CB ALA A 1 -12.525 -10.081 -5.358 1.00 1.00 C ATOM 0 H1 ALA A 1 -14.264 -8.187 -6.012 1.00 1.11 H new ATOM 0 H2 ALA A 1 -13.775 -6.989 -4.912 1.00 1.11 H new ATOM 0 H3 ALA A 1 -12.709 -7.514 -6.125 1.00 1.11 H new ATOM 0 HA ALA A 1 -13.744 -9.123 -3.871 1.00 0.53 H new ATOM 0 HB1 ALA A 1 -12.145 -10.845 -4.680 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -13.386 -10.472 -5.900 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -11.745 -9.805 -6.067 1.00 1.00 H new ATOM 11 N PHE A 2 -11.938 -7.221 -3.059 1.00 0.35 N ATOM 12 CA PHE A 2 -10.872 -6.652 -2.244 1.00 0.27 C ATOM 13 C PHE A 2 -10.721 -7.422 -0.933 1.00 0.23 C ATOM 14 O PHE A 2 -9.612 -7.611 -0.440 1.00 0.25 O ATOM 15 CB PHE A 2 -11.140 -5.169 -1.950 1.00 0.33 C ATOM 16 CG PHE A 2 -10.887 -4.256 -3.119 1.00 0.31 C ATOM 17 CD1 PHE A 2 -9.608 -4.094 -3.623 1.00 1.24 C ATOM 18 CD2 PHE A 2 -11.930 -3.561 -3.710 1.00 1.22 C ATOM 19 CE1 PHE A 2 -9.373 -3.254 -4.695 1.00 1.24 C ATOM 20 CE2 PHE A 2 -11.701 -2.721 -4.783 1.00 1.23 C ATOM 21 CZ PHE A 2 -10.421 -2.568 -5.276 1.00 0.36 C ATOM 0 H PHE A 2 -12.806 -6.685 -3.058 1.00 0.35 H new ATOM 0 HA PHE A 2 -9.943 -6.734 -2.808 1.00 0.27 H new ATOM 0 HB2 PHE A 2 -12.176 -5.054 -1.631 1.00 0.33 H new ATOM 0 HB3 PHE A 2 -10.513 -4.856 -1.116 1.00 0.33 H new ATOM 0 HD1 PHE A 2 -8.785 -4.630 -3.174 1.00 1.24 H new ATOM 0 HD2 PHE A 2 -12.933 -3.677 -3.328 1.00 1.22 H new ATOM 0 HE1 PHE A 2 -8.370 -3.134 -5.078 1.00 1.24 H new ATOM 0 HE2 PHE A 2 -12.522 -2.185 -5.235 1.00 1.23 H new ATOM 0 HZ PHE A 2 -10.239 -1.913 -6.115 1.00 0.36 H new ATOM 31 N THR A 3 -11.844 -7.864 -0.374 1.00 0.20 N ATOM 32 CA THR A 3 -11.833 -8.604 0.875 1.00 0.19 C ATOM 33 C THR A 3 -10.986 -9.863 0.783 1.00 0.19 C ATOM 34 O THR A 3 -11.172 -10.689 -0.114 1.00 0.26 O ATOM 35 CB THR A 3 -13.246 -9.010 1.304 1.00 0.21 C ATOM 36 OG1 THR A 3 -14.175 -7.966 0.990 1.00 0.24 O ATOM 37 CG2 THR A 3 -13.258 -9.294 2.792 1.00 0.26 C ATOM 0 H THR A 3 -12.773 -7.720 -0.770 1.00 0.20 H new ATOM 0 HA THR A 3 -11.402 -7.930 1.615 1.00 0.19 H new ATOM 0 HB THR A 3 -13.543 -9.910 0.765 1.00 0.21 H new ATOM 0 HG1 THR A 3 -15.006 -8.359 0.651 1.00 0.24 H new ATOM 0 HG21 THR A 3 -14.263 -9.583 3.099 1.00 0.26 H new ATOM 0 HG22 THR A 3 -12.564 -10.105 3.013 1.00 0.26 H new ATOM 0 HG23 THR A 3 -12.956 -8.399 3.336 1.00 0.26 H new ATOM 45 N GLY A 4 -10.071 -10.014 1.721 1.00 0.19 N ATOM 46 CA GLY A 4 -9.218 -11.172 1.726 1.00 0.21 C ATOM 47 C GLY A 4 -7.798 -10.834 2.086 1.00 0.19 C ATOM 48 O GLY A 4 -7.454 -9.665 2.266 1.00 0.21 O ATOM 0 H GLY A 4 -9.905 -9.353 2.480 1.00 0.19 H new ATOM 0 HA2 GLY A 4 -9.606 -11.903 2.435 1.00 0.21 H new ATOM 0 HA3 GLY A 4 -9.239 -11.640 0.742 1.00 0.21 H new ATOM 52 N LYS A 5 -6.978 -11.860 2.212 1.00 0.20 N ATOM 53 CA LYS A 5 -5.578 -11.665 2.535 1.00 0.20 C ATOM 54 C LYS A 5 -4.768 -11.609 1.243 1.00 0.18 C ATOM 55 O LYS A 5 -5.064 -12.324 0.282 1.00 0.19 O ATOM 56 CB LYS A 5 -5.076 -12.791 3.456 1.00 0.23 C ATOM 57 CG LYS A 5 -4.129 -13.768 2.783 1.00 0.28 C ATOM 58 CD LYS A 5 -3.890 -15.007 3.630 1.00 0.31 C ATOM 59 CE LYS A 5 -3.038 -14.698 4.844 1.00 0.56 C ATOM 60 NZ LYS A 5 -1.741 -15.423 4.814 1.00 1.54 N ATOM 0 H LYS A 5 -7.256 -12.834 2.096 1.00 0.20 H new ATOM 0 HA LYS A 5 -5.455 -10.723 3.070 1.00 0.20 H new ATOM 0 HB2 LYS A 5 -4.572 -12.346 4.314 1.00 0.23 H new ATOM 0 HB3 LYS A 5 -5.935 -13.341 3.841 1.00 0.23 H new ATOM 0 HG2 LYS A 5 -4.539 -14.063 1.817 1.00 0.28 H new ATOM 0 HG3 LYS A 5 -3.177 -13.274 2.588 1.00 0.28 H new ATOM 0 HD2 LYS A 5 -4.847 -15.418 3.952 1.00 0.31 H new ATOM 0 HD3 LYS A 5 -3.401 -15.772 3.027 1.00 0.31 H new ATOM 0 HE2 LYS A 5 -2.852 -13.625 4.893 1.00 0.56 H new ATOM 0 HE3 LYS A 5 -3.584 -14.969 5.748 1.00 0.56 H new ATOM 0 HZ1 LYS A 5 -1.197 -15.196 5.671 1.00 1.54 H new ATOM 0 HZ2 LYS A 5 -1.917 -16.447 4.776 1.00 1.54 H new ATOM 0 HZ3 LYS A 5 -1.201 -15.133 3.974 1.00 1.54 H new ATOM 74 N TYR A 6 -3.781 -10.736 1.208 1.00 0.19 N ATOM 75 CA TYR A 6 -2.932 -10.585 0.038 1.00 0.19 C ATOM 76 C TYR A 6 -1.478 -10.792 0.418 1.00 0.19 C ATOM 77 O TYR A 6 -1.045 -10.344 1.474 1.00 0.23 O ATOM 78 CB TYR A 6 -3.091 -9.193 -0.578 1.00 0.22 C ATOM 79 CG TYR A 6 -4.437 -8.932 -1.213 1.00 0.23 C ATOM 80 CD1 TYR A 6 -4.829 -9.607 -2.360 1.00 1.14 C ATOM 81 CD2 TYR A 6 -5.310 -7.995 -0.672 1.00 1.25 C ATOM 82 CE1 TYR A 6 -6.048 -9.355 -2.954 1.00 1.13 C ATOM 83 CE2 TYR A 6 -6.534 -7.741 -1.260 1.00 1.29 C ATOM 84 CZ TYR A 6 -6.898 -8.424 -2.400 1.00 0.35 C ATOM 85 OH TYR A 6 -8.108 -8.161 -3.002 1.00 0.44 O ATOM 0 H TYR A 6 -3.544 -10.115 1.982 1.00 0.19 H new ATOM 0 HA TYR A 6 -3.235 -11.334 -0.693 1.00 0.19 H new ATOM 0 HB2 TYR A 6 -2.920 -8.446 0.197 1.00 0.22 H new ATOM 0 HB3 TYR A 6 -2.316 -9.054 -1.332 1.00 0.22 H new ATOM 0 HD1 TYR A 6 -4.168 -10.342 -2.795 1.00 1.14 H new ATOM 0 HD2 TYR A 6 -5.027 -7.458 0.221 1.00 1.25 H new ATOM 0 HE1 TYR A 6 -6.335 -9.886 -3.850 1.00 1.13 H new ATOM 0 HE2 TYR A 6 -7.202 -7.011 -0.828 1.00 1.29 H new ATOM 0 HH TYR A 6 -8.699 -8.936 -2.902 1.00 0.44 H new ATOM 95 N GLU A 7 -0.734 -11.469 -0.435 1.00 0.19 N ATOM 96 CA GLU A 7 0.677 -11.707 -0.181 1.00 0.21 C ATOM 97 C GLU A 7 1.502 -11.269 -1.378 1.00 0.19 C ATOM 98 O GLU A 7 1.063 -11.418 -2.523 1.00 0.22 O ATOM 99 CB GLU A 7 0.937 -13.178 0.153 1.00 0.26 C ATOM 100 CG GLU A 7 0.672 -13.512 1.612 1.00 0.33 C ATOM 101 CD GLU A 7 0.611 -15.000 1.880 1.00 0.59 C ATOM 102 OE1 GLU A 7 1.429 -15.748 1.313 1.00 1.20 O ATOM 103 OE2 GLU A 7 -0.258 -15.429 2.666 1.00 1.41 O ATOM 0 H GLU A 7 -1.081 -11.864 -1.309 1.00 0.19 H new ATOM 0 HA GLU A 7 0.976 -11.116 0.684 1.00 0.21 H new ATOM 0 HB2 GLU A 7 0.307 -13.805 -0.478 1.00 0.26 H new ATOM 0 HB3 GLU A 7 1.972 -13.422 -0.088 1.00 0.26 H new ATOM 0 HG2 GLU A 7 1.456 -13.070 2.228 1.00 0.33 H new ATOM 0 HG3 GLU A 7 -0.269 -13.055 1.918 1.00 0.33 H new ATOM 110 N PHE A 8 2.683 -10.724 -1.101 1.00 0.23 N ATOM 111 CA PHE A 8 3.585 -10.230 -2.138 1.00 0.25 C ATOM 112 C PHE A 8 3.791 -11.261 -3.248 1.00 0.24 C ATOM 113 O PHE A 8 4.169 -12.406 -2.993 1.00 0.33 O ATOM 114 CB PHE A 8 4.934 -9.848 -1.522 1.00 0.33 C ATOM 115 CG PHE A 8 5.640 -8.737 -2.252 1.00 0.68 C ATOM 116 CD1 PHE A 8 6.178 -8.945 -3.514 1.00 1.32 C ATOM 117 CD2 PHE A 8 5.768 -7.485 -1.673 1.00 1.55 C ATOM 118 CE1 PHE A 8 6.826 -7.925 -4.184 1.00 1.57 C ATOM 119 CE2 PHE A 8 6.415 -6.461 -2.338 1.00 1.86 C ATOM 120 CZ PHE A 8 6.944 -6.681 -3.594 1.00 1.49 C ATOM 0 H PHE A 8 3.042 -10.612 -0.153 1.00 0.23 H new ATOM 0 HA PHE A 8 3.125 -9.348 -2.584 1.00 0.25 H new ATOM 0 HB2 PHE A 8 4.778 -9.548 -0.486 1.00 0.33 H new ATOM 0 HB3 PHE A 8 5.578 -10.727 -1.506 1.00 0.33 H new ATOM 0 HD1 PHE A 8 6.089 -9.916 -3.978 1.00 1.32 H new ATOM 0 HD2 PHE A 8 5.357 -7.307 -0.690 1.00 1.55 H new ATOM 0 HE1 PHE A 8 7.239 -8.100 -5.166 1.00 1.57 H new ATOM 0 HE2 PHE A 8 6.507 -5.489 -1.876 1.00 1.86 H new ATOM 0 HZ PHE A 8 7.450 -5.882 -4.115 1.00 1.49 H new ATOM 130 N GLU A 9 3.515 -10.846 -4.474 1.00 0.25 N ATOM 131 CA GLU A 9 3.673 -11.713 -5.629 1.00 0.26 C ATOM 132 C GLU A 9 4.681 -11.128 -6.607 1.00 0.28 C ATOM 133 O GLU A 9 5.624 -11.800 -7.029 1.00 0.34 O ATOM 134 CB GLU A 9 2.331 -11.902 -6.331 1.00 0.27 C ATOM 135 CG GLU A 9 2.379 -12.933 -7.436 1.00 0.35 C ATOM 136 CD GLU A 9 1.913 -14.292 -6.962 1.00 0.61 C ATOM 137 OE1 GLU A 9 2.459 -14.796 -5.956 1.00 1.46 O ATOM 138 OE2 GLU A 9 0.994 -14.861 -7.584 1.00 1.19 O ATOM 0 H GLU A 9 3.179 -9.909 -4.695 1.00 0.25 H new ATOM 0 HA GLU A 9 4.040 -12.679 -5.282 1.00 0.26 H new ATOM 0 HB2 GLU A 9 1.583 -12.200 -5.597 1.00 0.27 H new ATOM 0 HB3 GLU A 9 2.008 -10.948 -6.747 1.00 0.27 H new ATOM 0 HG2 GLU A 9 1.754 -12.604 -8.266 1.00 0.35 H new ATOM 0 HG3 GLU A 9 3.398 -13.011 -7.816 1.00 0.35 H new ATOM 145 N SER A 10 4.476 -9.872 -6.967 1.00 0.26 N ATOM 146 CA SER A 10 5.353 -9.197 -7.908 1.00 0.29 C ATOM 147 C SER A 10 5.389 -7.695 -7.643 1.00 0.27 C ATOM 148 O SER A 10 4.583 -7.175 -6.865 1.00 0.32 O ATOM 149 CB SER A 10 4.875 -9.479 -9.331 1.00 0.34 C ATOM 150 OG SER A 10 5.061 -10.846 -9.661 1.00 1.01 O ATOM 0 H SER A 10 3.707 -9.298 -6.620 1.00 0.26 H new ATOM 0 HA SER A 10 6.367 -9.578 -7.783 1.00 0.29 H new ATOM 0 HB2 SER A 10 3.821 -9.217 -9.424 1.00 0.34 H new ATOM 0 HB3 SER A 10 5.423 -8.852 -10.035 1.00 0.34 H new ATOM 0 HG SER A 10 4.747 -11.007 -10.575 1.00 1.01 H new ATOM 156 N ASP A 11 6.311 -6.999 -8.302 1.00 0.28 N ATOM 157 CA ASP A 11 6.456 -5.564 -8.136 1.00 0.28 C ATOM 158 C ASP A 11 7.164 -4.969 -9.344 1.00 0.28 C ATOM 159 O ASP A 11 7.775 -5.693 -10.135 1.00 0.34 O ATOM 160 CB ASP A 11 7.230 -5.231 -6.847 1.00 0.32 C ATOM 161 CG ASP A 11 8.740 -5.327 -7.005 1.00 0.97 C ATOM 162 OD1 ASP A 11 9.363 -4.336 -7.437 1.00 1.71 O ATOM 163 OD2 ASP A 11 9.315 -6.391 -6.678 1.00 1.72 O ATOM 0 H ASP A 11 6.971 -7.413 -8.960 1.00 0.28 H new ATOM 0 HA ASP A 11 5.461 -5.127 -8.054 1.00 0.28 H new ATOM 0 HB2 ASP A 11 6.969 -4.222 -6.526 1.00 0.32 H new ATOM 0 HB3 ASP A 11 6.911 -5.909 -6.056 1.00 0.32 H new ATOM 168 N GLU A 12 7.068 -3.657 -9.484 1.00 0.26 N ATOM 169 CA GLU A 12 7.694 -2.946 -10.585 1.00 0.27 C ATOM 170 C GLU A 12 8.116 -1.554 -10.132 1.00 0.25 C ATOM 171 O GLU A 12 7.375 -0.870 -9.414 1.00 0.26 O ATOM 172 CB GLU A 12 6.728 -2.860 -11.769 1.00 0.32 C ATOM 173 CG GLU A 12 7.112 -1.831 -12.835 1.00 0.38 C ATOM 174 CD GLU A 12 6.011 -1.588 -13.854 1.00 0.57 C ATOM 175 OE1 GLU A 12 5.569 -2.557 -14.510 1.00 1.00 O ATOM 176 OE2 GLU A 12 5.586 -0.422 -14.018 1.00 1.44 O ATOM 0 H GLU A 12 6.555 -3.056 -8.839 1.00 0.26 H new ATOM 0 HA GLU A 12 8.583 -3.490 -10.904 1.00 0.27 H new ATOM 0 HB2 GLU A 12 6.662 -3.842 -12.238 1.00 0.32 H new ATOM 0 HB3 GLU A 12 5.734 -2.619 -11.392 1.00 0.32 H new ATOM 0 HG2 GLU A 12 7.362 -0.889 -12.348 1.00 0.38 H new ATOM 0 HG3 GLU A 12 8.009 -2.171 -13.353 1.00 0.38 H new ATOM 183 N ASN A 13 9.307 -1.159 -10.561 1.00 0.25 N ATOM 184 CA ASN A 13 9.891 0.144 -10.233 1.00 0.25 C ATOM 185 C ASN A 13 10.096 0.322 -8.733 1.00 0.23 C ATOM 186 O ASN A 13 9.969 1.432 -8.214 1.00 0.30 O ATOM 187 CB ASN A 13 9.017 1.283 -10.771 1.00 0.29 C ATOM 188 CG ASN A 13 9.276 1.577 -12.236 1.00 0.45 C ATOM 189 OD1 ASN A 13 10.390 1.396 -12.736 1.00 0.51 O ATOM 190 ND2 ASN A 13 8.249 2.034 -12.935 1.00 0.84 N ATOM 0 H ASN A 13 9.905 -1.736 -11.153 1.00 0.25 H new ATOM 0 HA ASN A 13 10.869 0.179 -10.713 1.00 0.25 H new ATOM 0 HB2 ASN A 13 7.967 1.024 -10.637 1.00 0.29 H new ATOM 0 HB3 ASN A 13 9.201 2.184 -10.186 1.00 0.29 H new ATOM 0 HD21 ASN A 13 8.362 2.251 -13.925 1.00 0.84 H new ATOM 0 HD22 ASN A 13 7.345 2.169 -12.483 1.00 0.84 H new ATOM 197 N TYR A 14 10.431 -0.756 -8.038 1.00 0.23 N ATOM 198 CA TYR A 14 10.644 -0.692 -6.594 1.00 0.25 C ATOM 199 C TYR A 14 11.804 0.244 -6.244 1.00 0.23 C ATOM 200 O TYR A 14 11.622 1.227 -5.524 1.00 0.22 O ATOM 201 CB TYR A 14 10.909 -2.090 -6.010 1.00 0.32 C ATOM 202 CG TYR A 14 10.878 -2.121 -4.491 1.00 0.44 C ATOM 203 CD1 TYR A 14 11.891 -1.527 -3.747 1.00 1.30 C ATOM 204 CD2 TYR A 14 9.823 -2.712 -3.802 1.00 1.28 C ATOM 205 CE1 TYR A 14 11.857 -1.521 -2.370 1.00 1.36 C ATOM 206 CE2 TYR A 14 9.781 -2.701 -2.418 1.00 1.39 C ATOM 207 CZ TYR A 14 10.801 -2.102 -1.713 1.00 0.78 C ATOM 208 OH TYR A 14 10.757 -2.068 -0.344 1.00 0.98 O ATOM 0 H TYR A 14 10.561 -1.682 -8.445 1.00 0.23 H new ATOM 0 HA TYR A 14 9.731 -0.294 -6.151 1.00 0.25 H new ATOM 0 HB2 TYR A 14 10.164 -2.785 -6.396 1.00 0.32 H new ATOM 0 HB3 TYR A 14 11.882 -2.442 -6.354 1.00 0.32 H new ATOM 0 HD1 TYR A 14 12.720 -1.061 -4.258 1.00 1.30 H new ATOM 0 HD2 TYR A 14 9.025 -3.186 -4.355 1.00 1.28 H new ATOM 0 HE1 TYR A 14 12.658 -1.061 -1.810 1.00 1.36 H new ATOM 0 HE2 TYR A 14 8.954 -3.159 -1.895 1.00 1.39 H new ATOM 0 HH TYR A 14 10.116 -2.735 -0.021 1.00 0.98 H new ATOM 218 N ASP A 15 12.988 -0.065 -6.765 1.00 0.25 N ATOM 219 CA ASP A 15 14.186 0.726 -6.487 1.00 0.26 C ATOM 220 C ASP A 15 14.035 2.156 -6.978 1.00 0.25 C ATOM 221 O ASP A 15 14.479 3.095 -6.324 1.00 0.26 O ATOM 222 CB ASP A 15 15.415 0.105 -7.143 1.00 0.33 C ATOM 223 CG ASP A 15 15.695 -1.307 -6.664 1.00 0.50 C ATOM 224 OD1 ASP A 15 15.096 -2.258 -7.218 1.00 1.18 O ATOM 225 OD2 ASP A 15 16.514 -1.475 -5.734 1.00 1.30 O ATOM 0 H ASP A 15 13.145 -0.860 -7.384 1.00 0.25 H new ATOM 0 HA ASP A 15 14.316 0.734 -5.405 1.00 0.26 H new ATOM 0 HB2 ASP A 15 15.276 0.095 -8.224 1.00 0.33 H new ATOM 0 HB3 ASP A 15 16.284 0.731 -6.939 1.00 0.33 H new ATOM 230 N ASP A 16 13.415 2.319 -8.132 1.00 0.25 N ATOM 231 CA ASP A 16 13.213 3.645 -8.698 1.00 0.26 C ATOM 232 C ASP A 16 12.356 4.494 -7.772 1.00 0.25 C ATOM 233 O ASP A 16 12.650 5.665 -7.528 1.00 0.29 O ATOM 234 CB ASP A 16 12.546 3.538 -10.061 1.00 0.29 C ATOM 235 CG ASP A 16 13.369 4.177 -11.156 1.00 0.72 C ATOM 236 OD1 ASP A 16 13.365 5.418 -11.266 1.00 1.46 O ATOM 237 OD2 ASP A 16 14.031 3.437 -11.914 1.00 1.20 O ATOM 0 H ASP A 16 13.043 1.555 -8.696 1.00 0.25 H new ATOM 0 HA ASP A 16 14.186 4.122 -8.813 1.00 0.26 H new ATOM 0 HB2 ASP A 16 12.381 2.488 -10.300 1.00 0.29 H new ATOM 0 HB3 ASP A 16 11.566 4.014 -10.022 1.00 0.29 H new ATOM 242 N PHE A 17 11.308 3.882 -7.247 1.00 0.21 N ATOM 243 CA PHE A 17 10.393 4.553 -6.345 1.00 0.21 C ATOM 244 C PHE A 17 11.097 4.956 -5.054 1.00 0.20 C ATOM 245 O PHE A 17 11.073 6.126 -4.662 1.00 0.23 O ATOM 246 CB PHE A 17 9.224 3.628 -6.030 1.00 0.21 C ATOM 247 CG PHE A 17 8.134 4.273 -5.225 1.00 0.24 C ATOM 248 CD1 PHE A 17 7.238 5.144 -5.827 1.00 1.17 C ATOM 249 CD2 PHE A 17 7.999 4.003 -3.872 1.00 1.22 C ATOM 250 CE1 PHE A 17 6.231 5.732 -5.094 1.00 1.19 C ATOM 251 CE2 PHE A 17 6.990 4.591 -3.136 1.00 1.24 C ATOM 252 CZ PHE A 17 6.106 5.455 -3.749 1.00 0.38 C ATOM 0 H PHE A 17 11.070 2.908 -7.435 1.00 0.21 H new ATOM 0 HA PHE A 17 10.027 5.458 -6.829 1.00 0.21 H new ATOM 0 HB2 PHE A 17 8.802 3.261 -6.966 1.00 0.21 H new ATOM 0 HB3 PHE A 17 9.597 2.760 -5.487 1.00 0.21 H new ATOM 0 HD1 PHE A 17 7.331 5.363 -6.880 1.00 1.17 H new ATOM 0 HD2 PHE A 17 8.689 3.327 -3.390 1.00 1.22 H new ATOM 0 HE1 PHE A 17 5.540 6.410 -5.573 1.00 1.19 H new ATOM 0 HE2 PHE A 17 6.893 4.375 -2.082 1.00 1.24 H new ATOM 0 HZ PHE A 17 5.315 5.915 -3.175 1.00 0.38 H new ATOM 262 N VAL A 18 11.748 3.987 -4.414 1.00 0.19 N ATOM 263 CA VAL A 18 12.444 4.235 -3.157 1.00 0.21 C ATOM 264 C VAL A 18 13.558 5.269 -3.329 1.00 0.23 C ATOM 265 O VAL A 18 13.793 6.084 -2.435 1.00 0.26 O ATOM 266 CB VAL A 18 13.006 2.934 -2.542 1.00 0.23 C ATOM 267 CG1 VAL A 18 11.874 1.974 -2.219 1.00 0.25 C ATOM 268 CG2 VAL A 18 14.017 2.277 -3.466 1.00 0.23 C ATOM 0 H VAL A 18 11.807 3.024 -4.746 1.00 0.19 H new ATOM 0 HA VAL A 18 11.706 4.639 -2.464 1.00 0.21 H new ATOM 0 HB VAL A 18 13.522 3.193 -1.618 1.00 0.23 H new ATOM 0 HG11 VAL A 18 12.283 1.061 -1.786 1.00 0.25 H new ATOM 0 HG12 VAL A 18 11.194 2.440 -1.506 1.00 0.25 H new ATOM 0 HG13 VAL A 18 11.331 1.731 -3.133 1.00 0.25 H new ATOM 0 HG21 VAL A 18 14.393 1.364 -3.004 1.00 0.23 H new ATOM 0 HG22 VAL A 18 13.538 2.033 -4.414 1.00 0.23 H new ATOM 0 HG23 VAL A 18 14.846 2.962 -3.644 1.00 0.23 H new ATOM 278 N LYS A 19 14.230 5.249 -4.478 1.00 0.24 N ATOM 279 CA LYS A 19 15.300 6.206 -4.743 1.00 0.29 C ATOM 280 C LYS A 19 14.756 7.624 -4.929 1.00 0.30 C ATOM 281 O LYS A 19 15.449 8.602 -4.659 1.00 0.34 O ATOM 282 CB LYS A 19 16.104 5.784 -5.975 1.00 0.33 C ATOM 283 CG LYS A 19 17.176 4.742 -5.677 1.00 0.41 C ATOM 284 CD LYS A 19 18.260 5.289 -4.762 1.00 0.54 C ATOM 285 CE LYS A 19 18.137 4.738 -3.349 1.00 0.87 C ATOM 286 NZ LYS A 19 18.918 5.538 -2.374 1.00 1.18 N ATOM 0 H LYS A 19 14.054 4.587 -5.234 1.00 0.24 H new ATOM 0 HA LYS A 19 15.957 6.211 -3.873 1.00 0.29 H new ATOM 0 HB2 LYS A 19 15.421 5.386 -6.725 1.00 0.33 H new ATOM 0 HB3 LYS A 19 16.576 6.665 -6.409 1.00 0.33 H new ATOM 0 HG2 LYS A 19 16.715 3.870 -5.213 1.00 0.41 H new ATOM 0 HG3 LYS A 19 17.625 4.406 -6.612 1.00 0.41 H new ATOM 0 HD2 LYS A 19 19.240 5.036 -5.167 1.00 0.54 H new ATOM 0 HD3 LYS A 19 18.198 6.377 -4.735 1.00 0.54 H new ATOM 0 HE2 LYS A 19 17.088 4.728 -3.053 1.00 0.87 H new ATOM 0 HE3 LYS A 19 18.483 3.705 -3.331 1.00 0.87 H new ATOM 0 HZ1 LYS A 19 18.808 5.130 -1.423 1.00 1.18 H new ATOM 0 HZ2 LYS A 19 19.923 5.527 -2.642 1.00 1.18 H new ATOM 0 HZ3 LYS A 19 18.571 6.518 -2.372 1.00 1.18 H new ATOM 300 N LYS A 20 13.523 7.736 -5.402 1.00 0.29 N ATOM 301 CA LYS A 20 12.910 9.042 -5.619 1.00 0.32 C ATOM 302 C LYS A 20 12.328 9.606 -4.336 1.00 0.31 C ATOM 303 O LYS A 20 12.532 10.774 -4.017 1.00 0.36 O ATOM 304 CB LYS A 20 11.825 8.953 -6.679 1.00 0.35 C ATOM 305 CG LYS A 20 12.382 8.789 -8.071 1.00 0.58 C ATOM 306 CD LYS A 20 13.090 10.042 -8.566 1.00 0.73 C ATOM 307 CE LYS A 20 12.183 10.887 -9.442 1.00 0.71 C ATOM 308 NZ LYS A 20 12.878 12.084 -9.980 1.00 0.88 N ATOM 0 H LYS A 20 12.928 6.943 -5.642 1.00 0.29 H new ATOM 0 HA LYS A 20 13.695 9.716 -5.962 1.00 0.32 H new ATOM 0 HB2 LYS A 20 11.170 8.111 -6.453 1.00 0.35 H new ATOM 0 HB3 LYS A 20 11.212 9.853 -6.641 1.00 0.35 H new ATOM 0 HG2 LYS A 20 13.080 7.952 -8.083 1.00 0.58 H new ATOM 0 HG3 LYS A 20 11.572 8.539 -8.756 1.00 0.58 H new ATOM 0 HD2 LYS A 20 13.426 10.632 -7.713 1.00 0.73 H new ATOM 0 HD3 LYS A 20 13.980 9.760 -9.128 1.00 0.73 H new ATOM 0 HE2 LYS A 20 11.813 10.281 -10.269 1.00 0.71 H new ATOM 0 HE3 LYS A 20 11.314 11.203 -8.864 1.00 0.71 H new ATOM 0 HZ1 LYS A 20 12.220 12.631 -10.572 1.00 0.88 H new ATOM 0 HZ2 LYS A 20 13.209 12.677 -9.192 1.00 0.88 H new ATOM 0 HZ3 LYS A 20 13.692 11.784 -10.553 1.00 0.88 H new ATOM 322 N ILE A 21 11.595 8.774 -3.609 1.00 0.28 N ATOM 323 CA ILE A 21 10.980 9.205 -2.353 1.00 0.30 C ATOM 324 C ILE A 21 12.038 9.440 -1.276 1.00 0.32 C ATOM 325 O ILE A 21 11.741 9.963 -0.200 1.00 0.39 O ATOM 326 CB ILE A 21 9.940 8.190 -1.834 1.00 0.29 C ATOM 327 CG1 ILE A 21 10.584 6.821 -1.637 1.00 0.24 C ATOM 328 CG2 ILE A 21 8.763 8.099 -2.796 1.00 0.31 C ATOM 329 CD1 ILE A 21 9.759 5.876 -0.790 1.00 0.30 C ATOM 0 H ILE A 21 11.410 7.803 -3.861 1.00 0.28 H new ATOM 0 HA ILE A 21 10.465 10.142 -2.568 1.00 0.30 H new ATOM 0 HB ILE A 21 9.568 8.534 -0.869 1.00 0.29 H new ATOM 0 HG12 ILE A 21 10.754 6.366 -2.613 1.00 0.24 H new ATOM 0 HG13 ILE A 21 11.561 6.953 -1.172 1.00 0.24 H new ATOM 0 HG21 ILE A 21 8.038 7.379 -2.417 1.00 0.31 H new ATOM 0 HG22 ILE A 21 8.290 9.077 -2.886 1.00 0.31 H new ATOM 0 HG23 ILE A 21 9.117 7.776 -3.775 1.00 0.31 H new ATOM 0 HD11 ILE A 21 10.281 4.924 -0.694 1.00 0.30 H new ATOM 0 HD12 ILE A 21 9.610 6.309 0.199 1.00 0.30 H new ATOM 0 HD13 ILE A 21 8.791 5.713 -1.264 1.00 0.30 H new ATOM 341 N GLY A 22 13.270 9.045 -1.572 1.00 0.31 N ATOM 342 CA GLY A 22 14.357 9.233 -0.635 1.00 0.36 C ATOM 343 C GLY A 22 14.294 8.282 0.542 1.00 0.34 C ATOM 344 O GLY A 22 14.595 8.664 1.675 1.00 0.39 O ATOM 0 H GLY A 22 13.535 8.596 -2.449 1.00 0.31 H new ATOM 0 HA2 GLY A 22 15.305 9.097 -1.155 1.00 0.36 H new ATOM 0 HA3 GLY A 22 14.339 10.259 -0.268 1.00 0.36 H new ATOM 348 N LEU A 23 13.892 7.048 0.277 1.00 0.28 N ATOM 349 CA LEU A 23 13.797 6.033 1.314 1.00 0.27 C ATOM 350 C LEU A 23 15.198 5.609 1.746 1.00 0.28 C ATOM 351 O LEU A 23 16.069 5.400 0.905 1.00 0.28 O ATOM 352 CB LEU A 23 13.010 4.829 0.785 1.00 0.24 C ATOM 353 CG LEU A 23 12.471 3.864 1.848 1.00 0.26 C ATOM 354 CD1 LEU A 23 11.437 4.541 2.730 1.00 0.31 C ATOM 355 CD2 LEU A 23 11.856 2.649 1.188 1.00 0.25 C ATOM 0 H LEU A 23 13.625 6.725 -0.653 1.00 0.28 H new ATOM 0 HA LEU A 23 13.273 6.441 2.179 1.00 0.27 H new ATOM 0 HB2 LEU A 23 12.170 5.198 0.197 1.00 0.24 H new ATOM 0 HB3 LEU A 23 13.653 4.269 0.106 1.00 0.24 H new ATOM 0 HG LEU A 23 13.309 3.554 2.472 1.00 0.26 H new ATOM 0 HD11 LEU A 23 11.073 3.832 3.474 1.00 0.31 H new ATOM 0 HD12 LEU A 23 11.891 5.394 3.234 1.00 0.31 H new ATOM 0 HD13 LEU A 23 10.603 4.883 2.117 1.00 0.31 H new ATOM 0 HD21 LEU A 23 11.477 1.972 1.953 1.00 0.25 H new ATOM 0 HD22 LEU A 23 11.036 2.962 0.542 1.00 0.25 H new ATOM 0 HD23 LEU A 23 12.612 2.137 0.592 1.00 0.25 H new ATOM 367 N PRO A 24 15.452 5.520 3.060 1.00 0.30 N ATOM 368 CA PRO A 24 16.756 5.106 3.578 1.00 0.32 C ATOM 369 C PRO A 24 17.056 3.653 3.243 1.00 0.30 C ATOM 370 O PRO A 24 16.173 2.797 3.327 1.00 0.28 O ATOM 371 CB PRO A 24 16.621 5.282 5.090 1.00 0.37 C ATOM 372 CG PRO A 24 15.161 5.243 5.355 1.00 0.36 C ATOM 373 CD PRO A 24 14.500 5.829 4.142 1.00 0.33 C ATOM 0 HA PRO A 24 17.571 5.686 3.146 1.00 0.32 H new ATOM 0 HB2 PRO A 24 17.140 4.488 5.627 1.00 0.37 H new ATOM 0 HB3 PRO A 24 17.056 6.226 5.417 1.00 0.37 H new ATOM 0 HG2 PRO A 24 14.824 4.221 5.527 1.00 0.36 H new ATOM 0 HG3 PRO A 24 14.912 5.815 6.249 1.00 0.36 H new ATOM 0 HD2 PRO A 24 13.523 5.381 3.959 1.00 0.33 H new ATOM 0 HD3 PRO A 24 14.344 6.903 4.247 1.00 0.33 H new ATOM 381 N ALA A 25 18.306 3.386 2.877 1.00 0.32 N ATOM 382 CA ALA A 25 18.750 2.036 2.511 1.00 0.34 C ATOM 383 C ALA A 25 18.391 1.015 3.581 1.00 0.35 C ATOM 384 O ALA A 25 18.010 -0.116 3.274 1.00 0.36 O ATOM 385 CB ALA A 25 20.253 2.015 2.278 1.00 0.39 C ATOM 0 H ALA A 25 19.040 4.092 2.824 1.00 0.32 H new ATOM 0 HA ALA A 25 18.232 1.765 1.591 1.00 0.34 H new ATOM 0 HB1 ALA A 25 20.565 1.006 2.008 1.00 0.39 H new ATOM 0 HB2 ALA A 25 20.506 2.702 1.470 1.00 0.39 H new ATOM 0 HB3 ALA A 25 20.767 2.322 3.189 1.00 0.39 H new ATOM 391 N ASP A 26 18.510 1.433 4.835 1.00 0.37 N ATOM 392 CA ASP A 26 18.215 0.574 5.972 1.00 0.40 C ATOM 393 C ASP A 26 16.786 0.040 5.918 1.00 0.38 C ATOM 394 O ASP A 26 16.531 -1.107 6.278 1.00 0.42 O ATOM 395 CB ASP A 26 18.428 1.330 7.289 1.00 0.46 C ATOM 396 CG ASP A 26 19.886 1.667 7.549 1.00 1.27 C ATOM 397 OD1 ASP A 26 20.447 2.511 6.816 1.00 2.03 O ATOM 398 OD2 ASP A 26 20.477 1.104 8.495 1.00 2.03 O ATOM 0 H ASP A 26 18.812 2.373 5.091 1.00 0.37 H new ATOM 0 HA ASP A 26 18.901 -0.272 5.923 1.00 0.40 H new ATOM 0 HB2 ASP A 26 17.845 2.251 7.272 1.00 0.46 H new ATOM 0 HB3 ASP A 26 18.047 0.727 8.114 1.00 0.46 H new ATOM 403 N LYS A 27 15.858 0.873 5.464 1.00 0.35 N ATOM 404 CA LYS A 27 14.455 0.480 5.381 1.00 0.36 C ATOM 405 C LYS A 27 14.144 -0.171 4.041 1.00 0.32 C ATOM 406 O LYS A 27 13.305 -1.063 3.958 1.00 0.33 O ATOM 407 CB LYS A 27 13.543 1.692 5.583 1.00 0.39 C ATOM 408 CG LYS A 27 13.665 2.345 6.954 1.00 0.41 C ATOM 409 CD LYS A 27 13.250 1.397 8.068 1.00 0.48 C ATOM 410 CE LYS A 27 13.244 2.094 9.426 1.00 0.72 C ATOM 411 NZ LYS A 27 13.050 1.141 10.553 1.00 0.94 N ATOM 0 H LYS A 27 16.050 1.824 5.148 1.00 0.35 H new ATOM 0 HA LYS A 27 14.271 -0.246 6.173 1.00 0.36 H new ATOM 0 HB2 LYS A 27 13.770 2.435 4.818 1.00 0.39 H new ATOM 0 HB3 LYS A 27 12.509 1.383 5.431 1.00 0.39 H new ATOM 0 HG2 LYS A 27 14.694 2.666 7.114 1.00 0.41 H new ATOM 0 HG3 LYS A 27 13.043 3.240 6.987 1.00 0.41 H new ATOM 0 HD2 LYS A 27 12.257 1.000 7.858 1.00 0.48 H new ATOM 0 HD3 LYS A 27 13.933 0.548 8.097 1.00 0.48 H new ATOM 0 HE2 LYS A 27 14.185 2.626 9.562 1.00 0.72 H new ATOM 0 HE3 LYS A 27 12.450 2.841 9.444 1.00 0.72 H new ATOM 0 HZ1 LYS A 27 13.155 1.646 11.456 1.00 0.94 H new ATOM 0 HZ2 LYS A 27 12.098 0.726 10.497 1.00 0.94 H new ATOM 0 HZ3 LYS A 27 13.762 0.385 10.495 1.00 0.94 H new ATOM 425 N ILE A 28 14.830 0.287 3.003 1.00 0.30 N ATOM 426 CA ILE A 28 14.628 -0.219 1.649 1.00 0.29 C ATOM 427 C ILE A 28 14.837 -1.731 1.569 1.00 0.34 C ATOM 428 O ILE A 28 13.912 -2.481 1.262 1.00 0.37 O ATOM 429 CB ILE A 28 15.590 0.460 0.646 1.00 0.29 C ATOM 430 CG1 ILE A 28 15.226 1.931 0.439 1.00 0.25 C ATOM 431 CG2 ILE A 28 15.579 -0.277 -0.687 1.00 0.35 C ATOM 432 CD1 ILE A 28 16.197 2.671 -0.457 1.00 0.26 C ATOM 0 H ILE A 28 15.540 1.016 3.073 1.00 0.30 H new ATOM 0 HA ILE A 28 13.596 0.015 1.388 1.00 0.29 H new ATOM 0 HB ILE A 28 16.595 0.415 1.066 1.00 0.29 H new ATOM 0 HG12 ILE A 28 14.227 1.993 0.009 1.00 0.25 H new ATOM 0 HG13 ILE A 28 15.187 2.428 1.408 1.00 0.25 H new ATOM 0 HG21 ILE A 28 16.261 0.215 -1.380 1.00 0.35 H new ATOM 0 HG22 ILE A 28 15.897 -1.308 -0.535 1.00 0.35 H new ATOM 0 HG23 ILE A 28 14.571 -0.265 -1.101 1.00 0.35 H new ATOM 0 HD11 ILE A 28 15.878 3.708 -0.561 1.00 0.26 H new ATOM 0 HD12 ILE A 28 17.194 2.640 -0.017 1.00 0.26 H new ATOM 0 HD13 ILE A 28 16.219 2.198 -1.439 1.00 0.26 H new ATOM 444 N GLU A 29 16.051 -2.171 1.876 1.00 0.37 N ATOM 445 CA GLU A 29 16.396 -3.587 1.807 1.00 0.44 C ATOM 446 C GLU A 29 15.664 -4.382 2.879 1.00 0.43 C ATOM 447 O GLU A 29 15.538 -5.605 2.789 1.00 0.47 O ATOM 448 CB GLU A 29 17.913 -3.768 1.942 1.00 0.52 C ATOM 449 CG GLU A 29 18.726 -2.821 1.062 1.00 0.55 C ATOM 450 CD GLU A 29 18.621 -3.137 -0.421 1.00 0.94 C ATOM 451 OE1 GLU A 29 17.556 -2.885 -1.019 1.00 1.41 O ATOM 452 OE2 GLU A 29 19.611 -3.632 -1.002 1.00 1.73 O ATOM 0 H GLU A 29 16.816 -1.566 2.176 1.00 0.37 H new ATOM 0 HA GLU A 29 16.082 -3.969 0.836 1.00 0.44 H new ATOM 0 HB2 GLU A 29 18.197 -3.615 2.983 1.00 0.52 H new ATOM 0 HB3 GLU A 29 18.171 -4.796 1.689 1.00 0.52 H new ATOM 0 HG2 GLU A 29 18.389 -1.799 1.233 1.00 0.55 H new ATOM 0 HG3 GLU A 29 19.773 -2.866 1.363 1.00 0.55 H new ATOM 459 N MET A 30 15.181 -3.678 3.888 1.00 0.41 N ATOM 460 CA MET A 30 14.442 -4.300 4.969 1.00 0.43 C ATOM 461 C MET A 30 13.035 -4.640 4.497 1.00 0.40 C ATOM 462 O MET A 30 12.522 -5.726 4.753 1.00 0.41 O ATOM 463 CB MET A 30 14.379 -3.355 6.169 1.00 0.45 C ATOM 464 CG MET A 30 13.596 -3.904 7.348 1.00 0.46 C ATOM 465 SD MET A 30 14.458 -5.218 8.225 1.00 0.63 S ATOM 466 CE MET A 30 13.487 -6.634 7.727 1.00 0.97 C ATOM 0 H MET A 30 15.289 -2.668 3.980 1.00 0.41 H new ATOM 0 HA MET A 30 14.949 -5.217 5.270 1.00 0.43 H new ATOM 0 HB2 MET A 30 15.395 -3.129 6.494 1.00 0.45 H new ATOM 0 HB3 MET A 30 13.929 -2.414 5.854 1.00 0.45 H new ATOM 0 HG2 MET A 30 13.382 -3.092 8.043 1.00 0.46 H new ATOM 0 HG3 MET A 30 12.637 -4.281 6.994 1.00 0.46 H new ATOM 0 HE1 MET A 30 13.116 -7.151 8.612 1.00 0.97 H new ATOM 0 HE2 MET A 30 12.644 -6.302 7.121 1.00 0.97 H new ATOM 0 HE3 MET A 30 14.108 -7.314 7.143 1.00 0.97 H new ATOM 476 N GLY A 31 12.432 -3.708 3.769 1.00 0.39 N ATOM 477 CA GLY A 31 11.080 -3.895 3.283 1.00 0.39 C ATOM 478 C GLY A 31 11.003 -4.325 1.831 1.00 0.43 C ATOM 479 O GLY A 31 10.031 -4.004 1.144 1.00 0.51 O ATOM 0 H GLY A 31 12.860 -2.820 3.506 1.00 0.39 H new ATOM 0 HA2 GLY A 31 10.583 -4.643 3.900 1.00 0.39 H new ATOM 0 HA3 GLY A 31 10.528 -2.963 3.405 1.00 0.39 H new ATOM 483 N ARG A 32 11.982 -5.085 1.359 1.00 0.43 N ATOM 484 CA ARG A 32 11.975 -5.524 -0.030 1.00 0.50 C ATOM 485 C ARG A 32 12.039 -7.042 -0.132 1.00 0.44 C ATOM 486 O ARG A 32 12.732 -7.695 0.650 1.00 0.49 O ATOM 487 CB ARG A 32 13.133 -4.890 -0.815 1.00 0.60 C ATOM 488 CG ARG A 32 14.471 -5.595 -0.638 1.00 0.78 C ATOM 489 CD ARG A 32 15.533 -4.990 -1.539 1.00 0.71 C ATOM 490 NE ARG A 32 15.097 -4.925 -2.935 1.00 1.31 N ATOM 491 CZ ARG A 32 15.444 -3.954 -3.780 1.00 1.49 C ATOM 492 NH1 ARG A 32 16.285 -2.995 -3.402 1.00 1.65 N ATOM 493 NH2 ARG A 32 14.966 -3.956 -5.018 1.00 2.27 N ATOM 0 H ARG A 32 12.780 -5.406 1.907 1.00 0.43 H new ATOM 0 HA ARG A 32 11.035 -5.192 -0.471 1.00 0.50 H new ATOM 0 HB2 ARG A 32 12.877 -4.883 -1.874 1.00 0.60 H new ATOM 0 HB3 ARG A 32 13.240 -3.850 -0.506 1.00 0.60 H new ATOM 0 HG2 ARG A 32 14.788 -5.523 0.402 1.00 0.78 H new ATOM 0 HG3 ARG A 32 14.359 -6.655 -0.864 1.00 0.78 H new ATOM 0 HD2 ARG A 32 15.777 -3.987 -1.189 1.00 0.71 H new ATOM 0 HD3 ARG A 32 16.446 -5.582 -1.472 1.00 0.71 H new ATOM 0 HE ARG A 32 14.491 -5.668 -3.282 1.00 1.31 H new ATOM 0 HH11 ARG A 32 16.671 -2.998 -2.458 1.00 1.65 H new ATOM 0 HH12 ARG A 32 16.544 -2.257 -4.056 1.00 1.65 H new ATOM 0 HH21 ARG A 32 14.335 -4.699 -5.320 1.00 2.27 H new ATOM 0 HH22 ARG A 32 15.229 -3.215 -5.667 1.00 2.27 H new ATOM 507 N ASN A 33 11.290 -7.587 -1.090 1.00 0.53 N ATOM 508 CA ASN A 33 11.249 -9.030 -1.340 1.00 0.67 C ATOM 509 C ASN A 33 10.730 -9.794 -0.124 1.00 0.59 C ATOM 510 O ASN A 33 10.939 -11.003 -0.006 1.00 0.69 O ATOM 511 CB ASN A 33 12.637 -9.548 -1.737 1.00 0.80 C ATOM 512 CG ASN A 33 12.628 -10.281 -3.061 1.00 1.23 C ATOM 513 OD1 ASN A 33 12.472 -11.499 -3.107 1.00 1.72 O ATOM 514 ND2 ASN A 33 12.783 -9.542 -4.151 1.00 1.78 N ATOM 0 H ASN A 33 10.695 -7.043 -1.715 1.00 0.53 H new ATOM 0 HA ASN A 33 10.558 -9.201 -2.165 1.00 0.67 H new ATOM 0 HB2 ASN A 33 13.331 -8.709 -1.795 1.00 0.80 H new ATOM 0 HB3 ASN A 33 13.008 -10.215 -0.959 1.00 0.80 H new ATOM 0 HD21 ASN A 33 12.775 -9.982 -5.071 1.00 1.78 H new ATOM 0 HD22 ASN A 33 12.910 -8.533 -4.069 1.00 1.78 H new ATOM 521 N CYS A 34 10.034 -9.092 0.761 1.00 0.47 N ATOM 522 CA CYS A 34 9.495 -9.708 1.964 1.00 0.41 C ATOM 523 C CYS A 34 8.015 -10.035 1.783 1.00 0.41 C ATOM 524 O CYS A 34 7.307 -9.363 1.029 1.00 0.48 O ATOM 525 CB CYS A 34 9.710 -8.784 3.163 1.00 0.38 C ATOM 526 SG CYS A 34 9.638 -7.033 2.757 1.00 1.16 S ATOM 0 H CYS A 34 9.830 -8.097 0.668 1.00 0.47 H new ATOM 0 HA CYS A 34 10.022 -10.644 2.149 1.00 0.41 H new ATOM 0 HB2 CYS A 34 8.955 -9.003 3.918 1.00 0.38 H new ATOM 0 HB3 CYS A 34 10.680 -9.004 3.609 1.00 0.38 H new ATOM 0 HG CYS A 34 8.562 -6.791 2.068 1.00 1.16 H new ATOM 532 N LYS A 35 7.560 -11.074 2.471 1.00 0.39 N ATOM 533 CA LYS A 35 6.173 -11.514 2.380 1.00 0.42 C ATOM 534 C LYS A 35 5.228 -10.609 3.169 1.00 0.38 C ATOM 535 O LYS A 35 4.893 -10.887 4.320 1.00 0.40 O ATOM 536 CB LYS A 35 6.035 -12.968 2.858 1.00 0.47 C ATOM 537 CG LYS A 35 6.895 -13.314 4.069 1.00 0.48 C ATOM 538 CD LYS A 35 6.642 -14.733 4.557 1.00 1.13 C ATOM 539 CE LYS A 35 7.796 -15.237 5.406 1.00 1.64 C ATOM 540 NZ LYS A 35 7.638 -16.666 5.774 1.00 2.49 N ATOM 0 H LYS A 35 8.135 -11.631 3.102 1.00 0.39 H new ATOM 0 HA LYS A 35 5.886 -11.453 1.330 1.00 0.42 H new ATOM 0 HB2 LYS A 35 4.990 -13.161 3.102 1.00 0.47 H new ATOM 0 HB3 LYS A 35 6.299 -13.635 2.037 1.00 0.47 H new ATOM 0 HG2 LYS A 35 7.948 -13.201 3.811 1.00 0.48 H new ATOM 0 HG3 LYS A 35 6.687 -12.610 4.875 1.00 0.48 H new ATOM 0 HD2 LYS A 35 5.720 -14.761 5.138 1.00 1.13 H new ATOM 0 HD3 LYS A 35 6.500 -15.394 3.702 1.00 1.13 H new ATOM 0 HE2 LYS A 35 8.731 -15.105 4.861 1.00 1.64 H new ATOM 0 HE3 LYS A 35 7.868 -14.636 6.312 1.00 1.64 H new ATOM 0 HZ1 LYS A 35 8.448 -16.967 6.353 1.00 2.49 H new ATOM 0 HZ2 LYS A 35 6.760 -16.790 6.317 1.00 2.49 H new ATOM 0 HZ3 LYS A 35 7.596 -17.244 4.911 1.00 2.49 H new ATOM 554 N ILE A 36 4.827 -9.506 2.552 1.00 0.36 N ATOM 555 CA ILE A 36 3.894 -8.578 3.173 1.00 0.34 C ATOM 556 C ILE A 36 2.471 -9.098 3.012 1.00 0.33 C ATOM 557 O ILE A 36 2.026 -9.358 1.893 1.00 0.41 O ATOM 558 CB ILE A 36 3.973 -7.170 2.541 1.00 0.41 C ATOM 559 CG1 ILE A 36 5.414 -6.656 2.518 1.00 0.65 C ATOM 560 CG2 ILE A 36 3.076 -6.199 3.299 1.00 0.32 C ATOM 561 CD1 ILE A 36 6.048 -6.565 3.882 1.00 0.66 C ATOM 0 H ILE A 36 5.135 -9.232 1.619 1.00 0.36 H new ATOM 0 HA ILE A 36 4.164 -8.502 4.226 1.00 0.34 H new ATOM 0 HB ILE A 36 3.624 -7.242 1.511 1.00 0.41 H new ATOM 0 HG12 ILE A 36 6.015 -7.315 1.891 1.00 0.65 H new ATOM 0 HG13 ILE A 36 5.431 -5.670 2.053 1.00 0.65 H new ATOM 0 HG21 ILE A 36 3.142 -5.211 2.843 1.00 0.32 H new ATOM 0 HG22 ILE A 36 2.045 -6.549 3.259 1.00 0.32 H new ATOM 0 HG23 ILE A 36 3.399 -6.141 4.338 1.00 0.32 H new ATOM 0 HD11 ILE A 36 7.068 -6.193 3.785 1.00 0.66 H new ATOM 0 HD12 ILE A 36 5.471 -5.883 4.507 1.00 0.66 H new ATOM 0 HD13 ILE A 36 6.064 -7.553 4.342 1.00 0.66 H new ATOM 573 N VAL A 37 1.766 -9.262 4.117 1.00 0.29 N ATOM 574 CA VAL A 37 0.398 -9.750 4.068 1.00 0.29 C ATOM 575 C VAL A 37 -0.577 -8.605 4.287 1.00 0.30 C ATOM 576 O VAL A 37 -0.491 -7.897 5.291 1.00 0.37 O ATOM 577 CB VAL A 37 0.123 -10.847 5.117 1.00 0.29 C ATOM 578 CG1 VAL A 37 -1.232 -11.487 4.862 1.00 0.31 C ATOM 579 CG2 VAL A 37 1.237 -11.892 5.120 1.00 0.32 C ATOM 0 H VAL A 37 2.115 -9.066 5.055 1.00 0.29 H new ATOM 0 HA VAL A 37 0.258 -10.186 3.079 1.00 0.29 H new ATOM 0 HB VAL A 37 0.104 -10.387 6.105 1.00 0.29 H new ATOM 0 HG11 VAL A 37 -1.416 -12.260 5.608 1.00 0.31 H new ATOM 0 HG12 VAL A 37 -2.011 -10.727 4.927 1.00 0.31 H new ATOM 0 HG13 VAL A 37 -1.242 -11.933 3.868 1.00 0.31 H new ATOM 0 HG21 VAL A 37 1.019 -12.654 5.868 1.00 0.32 H new ATOM 0 HG22 VAL A 37 1.302 -12.357 4.136 1.00 0.32 H new ATOM 0 HG23 VAL A 37 2.186 -11.411 5.357 1.00 0.32 H new ATOM 589 N THR A 38 -1.468 -8.401 3.331 1.00 0.25 N ATOM 590 CA THR A 38 -2.469 -7.356 3.430 1.00 0.26 C ATOM 591 C THR A 38 -3.852 -7.970 3.637 1.00 0.24 C ATOM 592 O THR A 38 -4.430 -8.544 2.717 1.00 0.23 O ATOM 593 CB THR A 38 -2.480 -6.450 2.177 1.00 0.27 C ATOM 594 OG1 THR A 38 -1.191 -5.847 1.998 1.00 0.33 O ATOM 595 CG2 THR A 38 -3.540 -5.362 2.301 1.00 0.30 C ATOM 0 H THR A 38 -1.517 -8.950 2.473 1.00 0.25 H new ATOM 0 HA THR A 38 -2.212 -6.736 4.289 1.00 0.26 H new ATOM 0 HB THR A 38 -2.717 -7.069 1.312 1.00 0.27 H new ATOM 0 HG1 THR A 38 -1.205 -5.276 1.202 1.00 0.33 H new ATOM 0 HG21 THR A 38 -3.527 -4.738 1.407 1.00 0.30 H new ATOM 0 HG22 THR A 38 -4.522 -5.822 2.409 1.00 0.30 H new ATOM 0 HG23 THR A 38 -3.329 -4.747 3.176 1.00 0.30 H new ATOM 603 N GLU A 39 -4.365 -7.865 4.854 1.00 0.25 N ATOM 604 CA GLU A 39 -5.678 -8.415 5.176 1.00 0.25 C ATOM 605 C GLU A 39 -6.754 -7.349 5.025 1.00 0.24 C ATOM 606 O GLU A 39 -6.738 -6.331 5.722 1.00 0.28 O ATOM 607 CB GLU A 39 -5.683 -8.979 6.597 1.00 0.28 C ATOM 608 CG GLU A 39 -4.603 -10.024 6.828 1.00 0.38 C ATOM 609 CD GLU A 39 -5.161 -11.318 7.374 1.00 0.66 C ATOM 610 OE1 GLU A 39 -5.387 -11.403 8.596 1.00 1.39 O ATOM 611 OE2 GLU A 39 -5.376 -12.256 6.585 1.00 1.24 O ATOM 0 H GLU A 39 -3.895 -7.406 5.634 1.00 0.25 H new ATOM 0 HA GLU A 39 -5.895 -9.225 4.479 1.00 0.25 H new ATOM 0 HB2 GLU A 39 -5.547 -8.162 7.306 1.00 0.28 H new ATOM 0 HB3 GLU A 39 -6.658 -9.421 6.803 1.00 0.28 H new ATOM 0 HG2 GLU A 39 -4.086 -10.222 5.889 1.00 0.38 H new ATOM 0 HG3 GLU A 39 -3.862 -9.629 7.523 1.00 0.38 H new ATOM 618 N VAL A 40 -7.681 -7.587 4.104 1.00 0.20 N ATOM 619 CA VAL A 40 -8.759 -6.646 3.834 1.00 0.20 C ATOM 620 C VAL A 40 -10.113 -7.175 4.290 1.00 0.21 C ATOM 621 O VAL A 40 -10.483 -8.307 3.984 1.00 0.20 O ATOM 622 CB VAL A 40 -8.848 -6.335 2.330 1.00 0.20 C ATOM 623 CG1 VAL A 40 -9.964 -5.344 2.047 1.00 0.22 C ATOM 624 CG2 VAL A 40 -7.517 -5.821 1.809 1.00 0.22 C ATOM 0 H VAL A 40 -7.706 -8.429 3.529 1.00 0.20 H new ATOM 0 HA VAL A 40 -8.523 -5.743 4.397 1.00 0.20 H new ATOM 0 HB VAL A 40 -9.082 -7.260 1.804 1.00 0.20 H new ATOM 0 HG11 VAL A 40 -10.007 -5.140 0.977 1.00 0.22 H new ATOM 0 HG12 VAL A 40 -10.915 -5.764 2.375 1.00 0.22 H new ATOM 0 HG13 VAL A 40 -9.772 -4.416 2.586 1.00 0.22 H new ATOM 0 HG21 VAL A 40 -7.601 -5.607 0.744 1.00 0.22 H new ATOM 0 HG22 VAL A 40 -7.245 -4.910 2.342 1.00 0.22 H new ATOM 0 HG23 VAL A 40 -6.748 -6.577 1.967 1.00 0.22 H new ATOM 634 N VAL A 41 -10.842 -6.348 5.025 1.00 0.24 N ATOM 635 CA VAL A 41 -12.170 -6.704 5.503 1.00 0.27 C ATOM 636 C VAL A 41 -13.223 -5.784 4.878 1.00 0.29 C ATOM 637 O VAL A 41 -13.037 -4.568 4.826 1.00 0.31 O ATOM 638 CB VAL A 41 -12.262 -6.615 7.046 1.00 0.31 C ATOM 639 CG1 VAL A 41 -13.671 -6.940 7.531 1.00 0.70 C ATOM 640 CG2 VAL A 41 -11.238 -7.534 7.700 1.00 0.95 C ATOM 0 H VAL A 41 -10.532 -5.417 5.305 1.00 0.24 H new ATOM 0 HA VAL A 41 -12.359 -7.736 5.206 1.00 0.27 H new ATOM 0 HB VAL A 41 -12.036 -5.590 7.339 1.00 0.31 H new ATOM 0 HG11 VAL A 41 -13.707 -6.870 8.618 1.00 0.70 H new ATOM 0 HG12 VAL A 41 -14.377 -6.231 7.098 1.00 0.70 H new ATOM 0 HG13 VAL A 41 -13.937 -7.951 7.224 1.00 0.70 H new ATOM 0 HG21 VAL A 41 -11.319 -7.456 8.784 1.00 0.95 H new ATOM 0 HG22 VAL A 41 -11.426 -8.563 7.395 1.00 0.95 H new ATOM 0 HG23 VAL A 41 -10.235 -7.241 7.390 1.00 0.95 H new ATOM 650 N GLN A 42 -14.309 -6.371 4.385 1.00 0.31 N ATOM 651 CA GLN A 42 -15.392 -5.605 3.775 1.00 0.36 C ATOM 652 C GLN A 42 -16.339 -5.066 4.845 1.00 0.30 C ATOM 653 O GLN A 42 -17.035 -5.828 5.514 1.00 0.42 O ATOM 654 CB GLN A 42 -16.180 -6.474 2.784 1.00 0.53 C ATOM 655 CG GLN A 42 -17.341 -5.747 2.118 1.00 1.14 C ATOM 656 CD GLN A 42 -16.925 -4.980 0.881 1.00 1.35 C ATOM 657 OE1 GLN A 42 -16.031 -5.397 0.144 1.00 2.06 O ATOM 658 NE2 GLN A 42 -17.574 -3.853 0.642 1.00 1.59 N ATOM 0 H GLN A 42 -14.463 -7.379 4.396 1.00 0.31 H new ATOM 0 HA GLN A 42 -14.947 -4.767 3.238 1.00 0.36 H new ATOM 0 HB2 GLN A 42 -15.500 -6.837 2.013 1.00 0.53 H new ATOM 0 HB3 GLN A 42 -16.564 -7.349 3.308 1.00 0.53 H new ATOM 0 HG2 GLN A 42 -18.110 -6.471 1.849 1.00 1.14 H new ATOM 0 HG3 GLN A 42 -17.789 -5.057 2.833 1.00 1.14 H new ATOM 0 HE21 GLN A 42 -18.309 -3.543 1.278 1.00 1.59 H new ATOM 0 HE22 GLN A 42 -17.340 -3.294 -0.178 1.00 1.59 H new ATOM 667 N ASN A 43 -16.344 -3.754 5.016 1.00 0.30 N ATOM 668 CA ASN A 43 -17.218 -3.110 5.984 1.00 0.37 C ATOM 669 C ASN A 43 -17.951 -1.951 5.315 1.00 0.34 C ATOM 670 O ASN A 43 -17.631 -0.785 5.539 1.00 0.37 O ATOM 671 CB ASN A 43 -16.401 -2.619 7.187 1.00 0.53 C ATOM 672 CG ASN A 43 -17.248 -1.921 8.234 1.00 0.97 C ATOM 673 OD1 ASN A 43 -18.362 -2.347 8.540 1.00 1.44 O ATOM 674 ND2 ASN A 43 -16.721 -0.841 8.793 1.00 1.73 N ATOM 0 H ASN A 43 -15.749 -3.111 4.494 1.00 0.30 H new ATOM 0 HA ASN A 43 -17.954 -3.828 6.345 1.00 0.37 H new ATOM 0 HB2 ASN A 43 -15.893 -3.468 7.645 1.00 0.53 H new ATOM 0 HB3 ASN A 43 -15.627 -1.935 6.839 1.00 0.53 H new ATOM 0 HD21 ASN A 43 -17.242 -0.330 9.505 1.00 1.73 H new ATOM 0 HD22 ASN A 43 -15.794 -0.521 8.511 1.00 1.73 H new ATOM 681 N GLY A 44 -18.927 -2.278 4.478 1.00 0.35 N ATOM 682 CA GLY A 44 -19.671 -1.254 3.769 1.00 0.37 C ATOM 683 C GLY A 44 -18.802 -0.565 2.743 1.00 0.34 C ATOM 684 O GLY A 44 -18.596 -1.077 1.643 1.00 0.40 O ATOM 0 H GLY A 44 -19.217 -3.235 4.277 1.00 0.35 H new ATOM 0 HA2 GLY A 44 -20.535 -1.702 3.277 1.00 0.37 H new ATOM 0 HA3 GLY A 44 -20.053 -0.520 4.479 1.00 0.37 H new ATOM 688 N ASN A 45 -18.296 0.601 3.099 1.00 0.31 N ATOM 689 CA ASN A 45 -17.407 1.342 2.225 1.00 0.29 C ATOM 690 C ASN A 45 -16.082 1.561 2.927 1.00 0.28 C ATOM 691 O ASN A 45 -15.211 2.278 2.439 1.00 0.29 O ATOM 692 CB ASN A 45 -18.014 2.676 1.805 1.00 0.32 C ATOM 693 CG ASN A 45 -18.487 2.653 0.365 1.00 0.38 C ATOM 694 OD1 ASN A 45 -18.461 3.674 -0.323 1.00 0.41 O ATOM 695 ND2 ASN A 45 -18.917 1.489 -0.107 1.00 0.43 N ATOM 0 H ASN A 45 -18.487 1.057 3.991 1.00 0.31 H new ATOM 0 HA ASN A 45 -17.250 0.758 1.318 1.00 0.29 H new ATOM 0 HB2 ASN A 45 -18.853 2.915 2.459 1.00 0.32 H new ATOM 0 HB3 ASN A 45 -17.275 3.467 1.932 1.00 0.32 H new ATOM 0 HD21 ASN A 45 -19.241 1.418 -1.071 1.00 0.43 H new ATOM 0 HD22 ASN A 45 -18.923 0.665 0.495 1.00 0.43 H new ATOM 702 N ASP A 46 -15.956 0.933 4.087 1.00 0.30 N ATOM 703 CA ASP A 46 -14.753 1.022 4.891 1.00 0.29 C ATOM 704 C ASP A 46 -13.906 -0.224 4.678 1.00 0.28 C ATOM 705 O ASP A 46 -14.272 -1.317 5.108 1.00 0.36 O ATOM 706 CB ASP A 46 -15.145 1.165 6.366 1.00 0.33 C ATOM 707 CG ASP A 46 -13.963 1.357 7.291 1.00 0.61 C ATOM 708 OD1 ASP A 46 -13.303 2.417 7.207 1.00 1.29 O ATOM 709 OD2 ASP A 46 -13.717 0.465 8.133 1.00 1.36 O ATOM 0 H ASP A 46 -16.686 0.349 4.494 1.00 0.30 H new ATOM 0 HA ASP A 46 -14.168 1.893 4.595 1.00 0.29 H new ATOM 0 HB2 ASP A 46 -15.821 2.013 6.473 1.00 0.33 H new ATOM 0 HB3 ASP A 46 -15.697 0.277 6.674 1.00 0.33 H new ATOM 714 N PHE A 47 -12.797 -0.062 3.984 1.00 0.23 N ATOM 715 CA PHE A 47 -11.899 -1.168 3.721 1.00 0.23 C ATOM 716 C PHE A 47 -10.690 -1.081 4.636 1.00 0.23 C ATOM 717 O PHE A 47 -10.042 -0.037 4.736 1.00 0.24 O ATOM 718 CB PHE A 47 -11.464 -1.168 2.255 1.00 0.25 C ATOM 719 CG PHE A 47 -12.581 -1.507 1.306 1.00 0.26 C ATOM 720 CD1 PHE A 47 -13.482 -0.535 0.898 1.00 0.81 C ATOM 721 CD2 PHE A 47 -12.731 -2.798 0.827 1.00 0.97 C ATOM 722 CE1 PHE A 47 -14.511 -0.843 0.030 1.00 0.82 C ATOM 723 CE2 PHE A 47 -13.757 -3.113 -0.041 1.00 1.00 C ATOM 724 CZ PHE A 47 -14.649 -2.135 -0.441 1.00 0.34 C ATOM 0 H PHE A 47 -12.496 0.829 3.591 1.00 0.23 H new ATOM 0 HA PHE A 47 -12.424 -2.103 3.920 1.00 0.23 H new ATOM 0 HB2 PHE A 47 -11.065 -0.186 2.001 1.00 0.25 H new ATOM 0 HB3 PHE A 47 -10.654 -1.885 2.123 1.00 0.25 H new ATOM 0 HD1 PHE A 47 -13.378 0.476 1.264 1.00 0.81 H new ATOM 0 HD2 PHE A 47 -12.038 -3.566 1.136 1.00 0.97 H new ATOM 0 HE1 PHE A 47 -15.206 -0.076 -0.280 1.00 0.82 H new ATOM 0 HE2 PHE A 47 -13.863 -4.123 -0.408 1.00 1.00 H new ATOM 0 HZ PHE A 47 -15.452 -2.380 -1.120 1.00 0.34 H new ATOM 734 N THR A 48 -10.397 -2.169 5.316 1.00 0.26 N ATOM 735 CA THR A 48 -9.275 -2.206 6.228 1.00 0.27 C ATOM 736 C THR A 48 -8.005 -2.638 5.514 1.00 0.28 C ATOM 737 O THR A 48 -7.953 -3.720 4.929 1.00 0.38 O ATOM 738 CB THR A 48 -9.547 -3.183 7.382 1.00 0.29 C ATOM 739 OG1 THR A 48 -9.687 -4.510 6.860 1.00 0.53 O ATOM 740 CG2 THR A 48 -10.807 -2.797 8.132 1.00 0.56 C ATOM 0 H THR A 48 -10.922 -3.041 5.254 1.00 0.26 H new ATOM 0 HA THR A 48 -9.143 -1.198 6.621 1.00 0.27 H new ATOM 0 HB THR A 48 -8.707 -3.143 8.076 1.00 0.29 H new ATOM 0 HG1 THR A 48 -9.110 -4.615 6.075 1.00 0.53 H new ATOM 0 HG21 THR A 48 -10.978 -3.504 8.944 1.00 0.56 H new ATOM 0 HG22 THR A 48 -10.693 -1.794 8.542 1.00 0.56 H new ATOM 0 HG23 THR A 48 -11.657 -2.816 7.450 1.00 0.56 H new ATOM 748 N TRP A 49 -6.989 -1.798 5.542 1.00 0.23 N ATOM 749 CA TRP A 49 -5.730 -2.143 4.916 1.00 0.23 C ATOM 750 C TRP A 49 -4.726 -2.519 5.994 1.00 0.23 C ATOM 751 O TRP A 49 -4.142 -1.652 6.646 1.00 0.24 O ATOM 752 CB TRP A 49 -5.200 -0.978 4.077 1.00 0.25 C ATOM 753 CG TRP A 49 -4.875 -1.350 2.661 1.00 0.28 C ATOM 754 CD1 TRP A 49 -3.654 -1.267 2.054 1.00 0.34 C ATOM 755 CD2 TRP A 49 -5.779 -1.849 1.670 1.00 0.30 C ATOM 756 NE1 TRP A 49 -3.744 -1.684 0.748 1.00 0.38 N ATOM 757 CE2 TRP A 49 -5.039 -2.047 0.488 1.00 0.36 C ATOM 758 CE3 TRP A 49 -7.144 -2.145 1.669 1.00 0.32 C ATOM 759 CZ2 TRP A 49 -5.621 -2.532 -0.681 1.00 0.41 C ATOM 760 CZ3 TRP A 49 -7.720 -2.626 0.507 1.00 0.38 C ATOM 761 CH2 TRP A 49 -6.959 -2.818 -0.652 1.00 0.42 C ATOM 0 H TRP A 49 -7.010 -0.881 5.987 1.00 0.23 H new ATOM 0 HA TRP A 49 -5.884 -2.990 4.248 1.00 0.23 H new ATOM 0 HB2 TRP A 49 -5.942 -0.179 4.072 1.00 0.25 H new ATOM 0 HB3 TRP A 49 -4.304 -0.578 4.552 1.00 0.25 H new ATOM 0 HD1 TRP A 49 -2.749 -0.923 2.532 1.00 0.34 H new ATOM 0 HE1 TRP A 49 -2.973 -1.718 0.081 1.00 0.38 H new ATOM 0 HE3 TRP A 49 -7.739 -2.001 2.559 1.00 0.32 H new ATOM 0 HZ2 TRP A 49 -5.037 -2.677 -1.578 1.00 0.41 H new ATOM 0 HZ3 TRP A 49 -8.775 -2.857 0.494 1.00 0.38 H new ATOM 0 HH2 TRP A 49 -7.438 -3.200 -1.542 1.00 0.42 H new ATOM 772 N THR A 50 -4.542 -3.808 6.191 1.00 0.22 N ATOM 773 CA THR A 50 -3.616 -4.298 7.198 1.00 0.24 C ATOM 774 C THR A 50 -2.341 -4.806 6.552 1.00 0.25 C ATOM 775 O THR A 50 -2.389 -5.707 5.726 1.00 0.35 O ATOM 776 CB THR A 50 -4.253 -5.438 8.006 1.00 0.26 C ATOM 777 OG1 THR A 50 -5.604 -5.097 8.350 1.00 0.27 O ATOM 778 CG2 THR A 50 -3.456 -5.726 9.268 1.00 0.28 C ATOM 0 H THR A 50 -5.022 -4.540 5.667 1.00 0.22 H new ATOM 0 HA THR A 50 -3.379 -3.468 7.863 1.00 0.24 H new ATOM 0 HB THR A 50 -4.250 -6.336 7.388 1.00 0.26 H new ATOM 0 HG1 THR A 50 -6.210 -5.408 7.645 1.00 0.27 H new ATOM 0 HG21 THR A 50 -3.930 -6.537 9.820 1.00 0.28 H new ATOM 0 HG22 THR A 50 -2.440 -6.015 8.999 1.00 0.28 H new ATOM 0 HG23 THR A 50 -3.426 -4.832 9.891 1.00 0.28 H new ATOM 786 N GLN A 51 -1.208 -4.226 6.921 1.00 0.22 N ATOM 787 CA GLN A 51 0.074 -4.638 6.377 1.00 0.23 C ATOM 788 C GLN A 51 0.873 -5.359 7.446 1.00 0.22 C ATOM 789 O GLN A 51 1.234 -4.766 8.462 1.00 0.24 O ATOM 790 CB GLN A 51 0.878 -3.427 5.891 1.00 0.27 C ATOM 791 CG GLN A 51 0.561 -2.977 4.474 1.00 0.56 C ATOM 792 CD GLN A 51 -0.808 -2.340 4.349 1.00 0.71 C ATOM 793 OE1 GLN A 51 -0.993 -1.169 4.679 1.00 1.62 O ATOM 794 NE2 GLN A 51 -1.774 -3.099 3.857 1.00 0.82 N ATOM 0 H GLN A 51 -1.153 -3.465 7.598 1.00 0.22 H new ATOM 0 HA GLN A 51 -0.113 -5.301 5.532 1.00 0.23 H new ATOM 0 HB2 GLN A 51 0.699 -2.594 6.570 1.00 0.27 H new ATOM 0 HB3 GLN A 51 1.940 -3.666 5.952 1.00 0.27 H new ATOM 0 HG2 GLN A 51 1.319 -2.265 4.146 1.00 0.56 H new ATOM 0 HG3 GLN A 51 0.619 -3.835 3.804 1.00 0.56 H new ATOM 0 HE21 GLN A 51 -1.580 -4.066 3.595 1.00 0.82 H new ATOM 0 HE22 GLN A 51 -2.713 -2.717 3.740 1.00 0.82 H new ATOM 803 N HIS A 52 1.166 -6.621 7.208 1.00 0.22 N ATOM 804 CA HIS A 52 1.933 -7.411 8.153 1.00 0.23 C ATOM 805 C HIS A 52 3.359 -7.551 7.676 1.00 0.23 C ATOM 806 O HIS A 52 3.613 -7.858 6.506 1.00 0.26 O ATOM 807 CB HIS A 52 1.295 -8.788 8.352 1.00 0.24 C ATOM 808 CG HIS A 52 -0.021 -8.743 9.069 1.00 0.26 C ATOM 809 ND1 HIS A 52 -0.110 -8.368 10.389 1.00 0.34 N ATOM 810 CD2 HIS A 52 -1.260 -9.047 8.611 1.00 0.32 C ATOM 811 CE1 HIS A 52 -1.392 -8.452 10.702 1.00 0.37 C ATOM 812 NE2 HIS A 52 -2.125 -8.863 9.659 1.00 0.35 N ATOM 0 H HIS A 52 0.884 -7.124 6.366 1.00 0.22 H new ATOM 0 HA HIS A 52 1.934 -6.897 9.114 1.00 0.23 H new ATOM 0 HB2 HIS A 52 1.153 -9.257 7.378 1.00 0.24 H new ATOM 0 HB3 HIS A 52 1.983 -9.420 8.913 1.00 0.24 H new ATOM 0 HD2 HIS A 52 -1.516 -9.371 7.613 1.00 0.32 H new ATOM 0 HE1 HIS A 52 -1.797 -8.219 11.676 1.00 0.37 H new ATOM 0 HE2 HIS A 52 -3.134 -9.011 9.647 1.00 0.35 H new ATOM 820 N PHE A 53 4.285 -7.325 8.586 1.00 0.25 N ATOM 821 CA PHE A 53 5.695 -7.406 8.274 1.00 0.27 C ATOM 822 C PHE A 53 6.321 -8.590 8.996 1.00 0.31 C ATOM 823 O PHE A 53 6.288 -8.652 10.225 1.00 0.34 O ATOM 824 CB PHE A 53 6.400 -6.114 8.687 1.00 0.24 C ATOM 825 CG PHE A 53 7.673 -5.871 7.938 1.00 0.26 C ATOM 826 CD1 PHE A 53 7.712 -6.004 6.565 1.00 1.13 C ATOM 827 CD2 PHE A 53 8.830 -5.523 8.607 1.00 1.20 C ATOM 828 CE1 PHE A 53 8.886 -5.791 5.868 1.00 1.13 C ATOM 829 CE2 PHE A 53 10.007 -5.311 7.919 1.00 1.23 C ATOM 830 CZ PHE A 53 10.035 -5.445 6.546 1.00 0.34 C ATOM 0 H PHE A 53 4.082 -7.082 9.556 1.00 0.25 H new ATOM 0 HA PHE A 53 5.809 -7.544 7.199 1.00 0.27 H new ATOM 0 HB2 PHE A 53 5.726 -5.273 8.527 1.00 0.24 H new ATOM 0 HB3 PHE A 53 6.616 -6.151 9.755 1.00 0.24 H new ATOM 0 HD1 PHE A 53 6.815 -6.278 6.029 1.00 1.13 H new ATOM 0 HD2 PHE A 53 8.813 -5.416 9.682 1.00 1.20 H new ATOM 0 HE1 PHE A 53 8.903 -5.896 4.793 1.00 1.13 H new ATOM 0 HE2 PHE A 53 10.905 -5.041 8.454 1.00 1.23 H new ATOM 0 HZ PHE A 53 10.954 -5.279 6.004 1.00 0.34 H new ATOM 840 N PRO A 54 6.896 -9.539 8.242 1.00 0.35 N ATOM 841 CA PRO A 54 7.521 -10.734 8.817 1.00 0.41 C ATOM 842 C PRO A 54 8.699 -10.400 9.723 1.00 0.39 C ATOM 843 O PRO A 54 9.735 -9.915 9.264 1.00 0.37 O ATOM 844 CB PRO A 54 8.006 -11.514 7.589 1.00 0.46 C ATOM 845 CG PRO A 54 8.061 -10.522 6.483 1.00 0.45 C ATOM 846 CD PRO A 54 6.983 -9.522 6.772 1.00 0.39 C ATOM 0 HA PRO A 54 6.823 -11.287 9.446 1.00 0.41 H new ATOM 0 HB2 PRO A 54 8.986 -11.957 7.768 1.00 0.46 H new ATOM 0 HB3 PRO A 54 7.326 -12.331 7.349 1.00 0.46 H new ATOM 0 HG2 PRO A 54 9.038 -10.041 6.439 1.00 0.45 H new ATOM 0 HG3 PRO A 54 7.899 -11.003 5.519 1.00 0.45 H new ATOM 0 HD2 PRO A 54 7.240 -8.532 6.395 1.00 0.39 H new ATOM 0 HD3 PRO A 54 6.037 -9.804 6.309 1.00 0.39 H new ATOM 854 N GLY A 55 8.537 -10.695 11.007 1.00 0.43 N ATOM 855 CA GLY A 55 9.578 -10.431 11.981 1.00 0.46 C ATOM 856 C GLY A 55 9.815 -8.948 12.213 1.00 0.41 C ATOM 857 O GLY A 55 10.908 -8.552 12.621 1.00 0.43 O ATOM 0 H GLY A 55 7.693 -11.117 11.394 1.00 0.43 H new ATOM 0 HA2 GLY A 55 9.310 -10.902 12.927 1.00 0.46 H new ATOM 0 HA3 GLY A 55 10.507 -10.893 11.646 1.00 0.46 H new ATOM 861 N GLY A 56 8.808 -8.125 11.952 1.00 0.37 N ATOM 862 CA GLY A 56 8.963 -6.696 12.138 1.00 0.34 C ATOM 863 C GLY A 56 7.692 -6.017 12.608 1.00 0.35 C ATOM 864 O GLY A 56 6.747 -6.684 13.025 1.00 0.41 O ATOM 0 H GLY A 56 7.891 -8.420 11.616 1.00 0.37 H new ATOM 0 HA2 GLY A 56 9.755 -6.514 12.864 1.00 0.34 H new ATOM 0 HA3 GLY A 56 9.282 -6.246 11.198 1.00 0.34 H new ATOM 868 N ARG A 57 7.672 -4.694 12.515 1.00 0.34 N ATOM 869 CA ARG A 57 6.525 -3.901 12.951 1.00 0.38 C ATOM 870 C ARG A 57 5.367 -4.008 11.961 1.00 0.31 C ATOM 871 O ARG A 57 5.574 -4.109 10.756 1.00 0.28 O ATOM 872 CB ARG A 57 6.938 -2.431 13.154 1.00 0.45 C ATOM 873 CG ARG A 57 7.391 -1.719 11.882 1.00 0.43 C ATOM 874 CD ARG A 57 6.264 -0.903 11.262 1.00 0.53 C ATOM 875 NE ARG A 57 6.451 0.537 11.448 1.00 1.58 N ATOM 876 CZ ARG A 57 5.472 1.391 11.770 1.00 2.33 C ATOM 877 NH1 ARG A 57 4.232 0.955 11.973 1.00 2.27 N ATOM 878 NH2 ARG A 57 5.732 2.687 11.889 1.00 3.34 N ATOM 0 H ARG A 57 8.443 -4.142 12.139 1.00 0.34 H new ATOM 0 HA ARG A 57 6.180 -4.301 13.905 1.00 0.38 H new ATOM 0 HB2 ARG A 57 6.096 -1.886 13.580 1.00 0.45 H new ATOM 0 HB3 ARG A 57 7.746 -2.391 13.885 1.00 0.45 H new ATOM 0 HG2 ARG A 57 8.231 -1.064 12.111 1.00 0.43 H new ATOM 0 HG3 ARG A 57 7.748 -2.454 11.161 1.00 0.43 H new ATOM 0 HD2 ARG A 57 6.202 -1.124 10.196 1.00 0.53 H new ATOM 0 HD3 ARG A 57 5.315 -1.204 11.705 1.00 0.53 H new ATOM 0 HE ARG A 57 7.390 0.915 11.324 1.00 1.58 H new ATOM 0 HH11 ARG A 57 4.020 -0.039 11.884 1.00 2.27 H new ATOM 0 HH12 ARG A 57 3.493 1.614 12.218 1.00 2.27 H new ATOM 0 HH21 ARG A 57 6.679 3.033 11.735 1.00 3.34 H new ATOM 0 HH22 ARG A 57 4.985 3.337 12.134 1.00 3.34 H new ATOM 892 N THR A 58 4.154 -3.976 12.487 1.00 0.36 N ATOM 893 CA THR A 58 2.953 -4.071 11.671 1.00 0.31 C ATOM 894 C THR A 58 2.332 -2.689 11.473 1.00 0.28 C ATOM 895 O THR A 58 2.654 -1.739 12.191 1.00 0.33 O ATOM 896 CB THR A 58 1.922 -5.033 12.308 1.00 0.35 C ATOM 897 OG1 THR A 58 0.900 -5.365 11.362 1.00 0.34 O ATOM 898 CG2 THR A 58 1.291 -4.427 13.551 1.00 0.39 C ATOM 0 H THR A 58 3.973 -3.884 13.487 1.00 0.36 H new ATOM 0 HA THR A 58 3.238 -4.472 10.699 1.00 0.31 H new ATOM 0 HB THR A 58 2.453 -5.939 12.601 1.00 0.35 H new ATOM 0 HG1 THR A 58 1.239 -5.227 10.453 1.00 0.34 H new ATOM 0 HG21 THR A 58 0.572 -5.129 13.973 1.00 0.39 H new ATOM 0 HG22 THR A 58 2.067 -4.216 14.287 1.00 0.39 H new ATOM 0 HG23 THR A 58 0.781 -3.501 13.286 1.00 0.39 H new ATOM 906 N THR A 59 1.476 -2.575 10.466 1.00 0.25 N ATOM 907 CA THR A 59 0.800 -1.322 10.156 1.00 0.27 C ATOM 908 C THR A 59 -0.624 -1.618 9.692 1.00 0.24 C ATOM 909 O THR A 59 -0.837 -2.488 8.854 1.00 0.36 O ATOM 910 CB THR A 59 1.549 -0.535 9.060 1.00 0.32 C ATOM 911 OG1 THR A 59 2.827 -1.136 8.821 1.00 0.49 O ATOM 912 CG2 THR A 59 1.731 0.923 9.466 1.00 0.48 C ATOM 0 H THR A 59 1.231 -3.345 9.843 1.00 0.25 H new ATOM 0 HA THR A 59 0.781 -0.710 11.058 1.00 0.27 H new ATOM 0 HB THR A 59 0.955 -0.565 8.146 1.00 0.32 H new ATOM 0 HG1 THR A 59 2.908 -1.367 7.872 1.00 0.49 H new ATOM 0 HG21 THR A 59 2.261 1.457 8.677 1.00 0.48 H new ATOM 0 HG22 THR A 59 0.755 1.382 9.622 1.00 0.48 H new ATOM 0 HG23 THR A 59 2.307 0.974 10.390 1.00 0.48 H new ATOM 920 N THR A 60 -1.603 -0.928 10.250 1.00 0.26 N ATOM 921 CA THR A 60 -2.990 -1.150 9.874 1.00 0.23 C ATOM 922 C THR A 60 -3.729 0.172 9.718 1.00 0.22 C ATOM 923 O THR A 60 -3.844 0.949 10.669 1.00 0.26 O ATOM 924 CB THR A 60 -3.710 -2.021 10.920 1.00 0.25 C ATOM 925 OG1 THR A 60 -2.887 -3.145 11.262 1.00 0.31 O ATOM 926 CG2 THR A 60 -5.051 -2.511 10.392 1.00 0.24 C ATOM 0 H THR A 60 -1.465 -0.211 10.963 1.00 0.26 H new ATOM 0 HA THR A 60 -2.991 -1.672 8.917 1.00 0.23 H new ATOM 0 HB THR A 60 -3.891 -1.413 11.807 1.00 0.25 H new ATOM 0 HG1 THR A 60 -3.347 -3.696 11.929 1.00 0.31 H new ATOM 0 HG21 THR A 60 -5.539 -3.124 11.150 1.00 0.24 H new ATOM 0 HG22 THR A 60 -5.683 -1.655 10.155 1.00 0.24 H new ATOM 0 HG23 THR A 60 -4.893 -3.105 9.492 1.00 0.24 H new ATOM 934 N ASN A 61 -4.230 0.425 8.518 1.00 0.25 N ATOM 935 CA ASN A 61 -4.953 1.657 8.232 1.00 0.26 C ATOM 936 C ASN A 61 -6.250 1.353 7.524 1.00 0.29 C ATOM 937 O ASN A 61 -6.257 0.824 6.417 1.00 0.51 O ATOM 938 CB ASN A 61 -4.124 2.607 7.359 1.00 0.36 C ATOM 939 CG ASN A 61 -2.648 2.605 7.693 1.00 0.87 C ATOM 940 OD1 ASN A 61 -2.210 3.257 8.637 1.00 1.43 O ATOM 941 ND2 ASN A 61 -1.866 1.872 6.914 1.00 1.72 N ATOM 0 H ASN A 61 -4.149 -0.209 7.723 1.00 0.25 H new ATOM 0 HA ASN A 61 -5.154 2.142 9.187 1.00 0.26 H new ATOM 0 HB2 ASN A 61 -4.251 2.330 6.313 1.00 0.36 H new ATOM 0 HB3 ASN A 61 -4.512 3.620 7.470 1.00 0.36 H new ATOM 0 HD21 ASN A 61 -0.862 1.835 7.089 1.00 1.72 H new ATOM 0 HD22 ASN A 61 -2.268 1.344 6.139 1.00 1.72 H new ATOM 948 N SER A 62 -7.340 1.685 8.169 1.00 0.21 N ATOM 949 CA SER A 62 -8.654 1.478 7.605 1.00 0.25 C ATOM 950 C SER A 62 -9.130 2.778 6.971 1.00 0.23 C ATOM 951 O SER A 62 -8.769 3.865 7.434 1.00 0.29 O ATOM 952 CB SER A 62 -9.600 1.017 8.705 1.00 0.34 C ATOM 953 OG SER A 62 -9.164 -0.217 9.249 1.00 1.04 O ATOM 0 H SER A 62 -7.344 2.106 9.098 1.00 0.21 H new ATOM 0 HA SER A 62 -8.627 0.709 6.833 1.00 0.25 H new ATOM 0 HB2 SER A 62 -9.648 1.771 9.491 1.00 0.34 H new ATOM 0 HB3 SER A 62 -10.608 0.909 8.304 1.00 0.34 H new ATOM 0 HG SER A 62 -9.781 -0.499 9.956 1.00 1.04 H new ATOM 959 N PHE A 63 -9.904 2.682 5.905 1.00 0.18 N ATOM 960 CA PHE A 63 -10.387 3.874 5.226 1.00 0.17 C ATOM 961 C PHE A 63 -11.786 3.676 4.673 1.00 0.18 C ATOM 962 O PHE A 63 -12.126 2.606 4.179 1.00 0.24 O ATOM 963 CB PHE A 63 -9.444 4.267 4.079 1.00 0.17 C ATOM 964 CG PHE A 63 -9.182 3.153 3.102 1.00 0.18 C ATOM 965 CD1 PHE A 63 -10.029 2.943 2.026 1.00 0.88 C ATOM 966 CD2 PHE A 63 -8.100 2.309 3.272 1.00 0.86 C ATOM 967 CE1 PHE A 63 -9.803 1.909 1.143 1.00 0.88 C ATOM 968 CE2 PHE A 63 -7.864 1.275 2.390 1.00 0.88 C ATOM 969 CZ PHE A 63 -8.718 1.072 1.325 1.00 0.23 C ATOM 0 H PHE A 63 -10.210 1.801 5.493 1.00 0.18 H new ATOM 0 HA PHE A 63 -10.415 4.673 5.967 1.00 0.17 H new ATOM 0 HB2 PHE A 63 -9.871 5.115 3.544 1.00 0.17 H new ATOM 0 HB3 PHE A 63 -8.495 4.601 4.499 1.00 0.17 H new ATOM 0 HD1 PHE A 63 -10.876 3.597 1.877 1.00 0.88 H new ATOM 0 HD2 PHE A 63 -7.431 2.461 4.106 1.00 0.86 H new ATOM 0 HE1 PHE A 63 -10.473 1.753 0.310 1.00 0.88 H new ATOM 0 HE2 PHE A 63 -7.013 0.626 2.533 1.00 0.88 H new ATOM 0 HZ PHE A 63 -8.539 0.261 0.635 1.00 0.23 H new ATOM 979 N THR A 64 -12.587 4.716 4.763 1.00 0.17 N ATOM 980 CA THR A 64 -13.930 4.684 4.243 1.00 0.19 C ATOM 981 C THR A 64 -13.980 5.512 2.968 1.00 0.18 C ATOM 982 O THR A 64 -13.554 6.664 2.962 1.00 0.19 O ATOM 983 CB THR A 64 -14.939 5.241 5.268 1.00 0.21 C ATOM 984 OG1 THR A 64 -15.007 4.384 6.411 1.00 0.25 O ATOM 985 CG2 THR A 64 -16.325 5.390 4.653 1.00 0.22 C ATOM 0 H THR A 64 -12.324 5.601 5.197 1.00 0.17 H new ATOM 0 HA THR A 64 -14.203 3.650 4.034 1.00 0.19 H new ATOM 0 HB THR A 64 -14.592 6.228 5.576 1.00 0.21 H new ATOM 0 HG1 THR A 64 -14.237 3.778 6.412 1.00 0.25 H new ATOM 0 HG21 THR A 64 -17.014 5.785 5.400 1.00 0.22 H new ATOM 0 HG22 THR A 64 -16.276 6.075 3.807 1.00 0.22 H new ATOM 0 HG23 THR A 64 -16.678 4.417 4.312 1.00 0.22 H new ATOM 993 N ILE A 65 -14.437 4.903 1.883 1.00 0.18 N ATOM 994 CA ILE A 65 -14.547 5.596 0.609 1.00 0.18 C ATOM 995 C ILE A 65 -15.363 6.882 0.748 1.00 0.21 C ATOM 996 O ILE A 65 -16.497 6.856 1.233 1.00 0.24 O ATOM 997 CB ILE A 65 -15.183 4.694 -0.468 1.00 0.20 C ATOM 998 CG1 ILE A 65 -14.405 3.378 -0.604 1.00 0.21 C ATOM 999 CG2 ILE A 65 -15.233 5.424 -1.800 1.00 0.22 C ATOM 1000 CD1 ILE A 65 -12.951 3.553 -0.994 1.00 0.19 C ATOM 0 H ILE A 65 -14.738 3.929 1.860 1.00 0.18 H new ATOM 0 HA ILE A 65 -13.535 5.852 0.297 1.00 0.18 H new ATOM 0 HB ILE A 65 -16.201 4.455 -0.162 1.00 0.20 H new ATOM 0 HG12 ILE A 65 -14.453 2.841 0.343 1.00 0.21 H new ATOM 0 HG13 ILE A 65 -14.897 2.754 -1.350 1.00 0.21 H new ATOM 0 HG21 ILE A 65 -15.684 4.777 -2.553 1.00 0.22 H new ATOM 0 HG22 ILE A 65 -15.829 6.330 -1.696 1.00 0.22 H new ATOM 0 HG23 ILE A 65 -14.221 5.689 -2.108 1.00 0.22 H new ATOM 0 HD11 ILE A 65 -12.474 2.576 -1.069 1.00 0.19 H new ATOM 0 HD12 ILE A 65 -12.891 4.060 -1.957 1.00 0.19 H new ATOM 0 HD13 ILE A 65 -12.441 4.149 -0.237 1.00 0.19 H new ATOM 1012 N ASP A 66 -14.742 7.998 0.341 1.00 0.20 N ATOM 1013 CA ASP A 66 -15.343 9.335 0.384 1.00 0.23 C ATOM 1014 C ASP A 66 -15.299 9.890 1.809 1.00 0.23 C ATOM 1015 O ASP A 66 -16.070 10.776 2.182 1.00 0.26 O ATOM 1016 CB ASP A 66 -16.782 9.312 -0.152 1.00 0.27 C ATOM 1017 CG ASP A 66 -17.281 10.671 -0.607 1.00 0.35 C ATOM 1018 OD1 ASP A 66 -16.454 11.524 -0.990 1.00 1.04 O ATOM 1019 OD2 ASP A 66 -18.516 10.884 -0.606 1.00 1.10 O ATOM 0 H ASP A 66 -13.793 7.995 -0.033 1.00 0.20 H new ATOM 0 HA ASP A 66 -14.761 9.993 -0.261 1.00 0.23 H new ATOM 0 HB2 ASP A 66 -16.839 8.615 -0.988 1.00 0.27 H new ATOM 0 HB3 ASP A 66 -17.445 8.932 0.626 1.00 0.27 H new ATOM 1024 N LYS A 67 -14.378 9.355 2.600 1.00 0.21 N ATOM 1025 CA LYS A 67 -14.200 9.761 3.986 1.00 0.22 C ATOM 1026 C LYS A 67 -12.713 9.881 4.318 1.00 0.21 C ATOM 1027 O LYS A 67 -11.891 9.130 3.783 1.00 0.23 O ATOM 1028 CB LYS A 67 -14.872 8.737 4.907 1.00 0.23 C ATOM 1029 CG LYS A 67 -14.480 8.857 6.373 1.00 0.25 C ATOM 1030 CD LYS A 67 -15.065 10.099 7.027 1.00 0.35 C ATOM 1031 CE LYS A 67 -14.340 10.419 8.324 1.00 1.15 C ATOM 1032 NZ LYS A 67 -14.986 11.529 9.069 1.00 1.59 N ATOM 0 H LYS A 67 -13.732 8.626 2.297 1.00 0.21 H new ATOM 0 HA LYS A 67 -14.663 10.736 4.137 1.00 0.22 H new ATOM 0 HB2 LYS A 67 -15.953 8.845 4.823 1.00 0.23 H new ATOM 0 HB3 LYS A 67 -14.624 7.735 4.558 1.00 0.23 H new ATOM 0 HG2 LYS A 67 -14.819 7.972 6.911 1.00 0.25 H new ATOM 0 HG3 LYS A 67 -13.393 8.883 6.455 1.00 0.25 H new ATOM 0 HD2 LYS A 67 -14.989 10.945 6.344 1.00 0.35 H new ATOM 0 HD3 LYS A 67 -16.125 9.945 7.226 1.00 0.35 H new ATOM 0 HE2 LYS A 67 -14.314 9.529 8.953 1.00 1.15 H new ATOM 0 HE3 LYS A 67 -13.306 10.685 8.104 1.00 1.15 H new ATOM 0 HZ1 LYS A 67 -14.458 11.712 9.946 1.00 1.59 H new ATOM 0 HZ2 LYS A 67 -14.989 12.387 8.481 1.00 1.59 H new ATOM 0 HZ3 LYS A 67 -15.965 11.267 9.303 1.00 1.59 H new ATOM 1046 N GLU A 68 -12.372 10.848 5.168 1.00 0.24 N ATOM 1047 CA GLU A 68 -10.996 11.048 5.606 1.00 0.26 C ATOM 1048 C GLU A 68 -10.594 9.919 6.550 1.00 0.23 C ATOM 1049 O GLU A 68 -11.311 9.614 7.501 1.00 0.34 O ATOM 1050 CB GLU A 68 -10.850 12.396 6.316 1.00 0.34 C ATOM 1051 CG GLU A 68 -9.457 12.645 6.866 1.00 1.35 C ATOM 1052 CD GLU A 68 -9.472 13.487 8.123 1.00 1.92 C ATOM 1053 OE1 GLU A 68 -9.591 14.726 8.016 1.00 2.51 O ATOM 1054 OE2 GLU A 68 -9.369 12.916 9.230 1.00 2.55 O ATOM 0 H GLU A 68 -13.038 11.509 5.569 1.00 0.24 H new ATOM 0 HA GLU A 68 -10.343 11.044 4.733 1.00 0.26 H new ATOM 0 HB2 GLU A 68 -11.104 13.194 5.618 1.00 0.34 H new ATOM 0 HB3 GLU A 68 -11.569 12.446 7.134 1.00 0.34 H new ATOM 0 HG2 GLU A 68 -8.978 11.689 7.078 1.00 1.35 H new ATOM 0 HG3 GLU A 68 -8.854 13.142 6.107 1.00 1.35 H new ATOM 1061 N ALA A 69 -9.452 9.306 6.295 1.00 0.20 N ATOM 1062 CA ALA A 69 -8.991 8.202 7.118 1.00 0.18 C ATOM 1063 C ALA A 69 -7.640 8.497 7.756 1.00 0.21 C ATOM 1064 O ALA A 69 -6.805 9.200 7.181 1.00 0.31 O ATOM 1065 CB ALA A 69 -8.910 6.935 6.285 1.00 0.18 C ATOM 0 H ALA A 69 -8.828 9.553 5.527 1.00 0.20 H new ATOM 0 HA ALA A 69 -9.712 8.064 7.924 1.00 0.18 H new ATOM 0 HB1 ALA A 69 -8.564 6.111 6.909 1.00 0.18 H new ATOM 0 HB2 ALA A 69 -9.896 6.698 5.886 1.00 0.18 H new ATOM 0 HB3 ALA A 69 -8.212 7.085 5.461 1.00 0.18 H new ATOM 1071 N ASP A 70 -7.433 7.942 8.942 1.00 0.20 N ATOM 1072 CA ASP A 70 -6.187 8.111 9.671 1.00 0.24 C ATOM 1073 C ASP A 70 -5.216 7.059 9.173 1.00 0.22 C ATOM 1074 O ASP A 70 -5.499 5.860 9.265 1.00 0.25 O ATOM 1075 CB ASP A 70 -6.402 7.940 11.181 1.00 0.31 C ATOM 1076 CG ASP A 70 -7.712 8.524 11.663 1.00 1.14 C ATOM 1077 OD1 ASP A 70 -7.934 9.735 11.483 1.00 1.95 O ATOM 1078 OD2 ASP A 70 -8.533 7.771 12.226 1.00 1.87 O ATOM 0 H ASP A 70 -8.122 7.364 9.423 1.00 0.20 H new ATOM 0 HA ASP A 70 -5.798 9.115 9.503 1.00 0.24 H new ATOM 0 HB2 ASP A 70 -6.371 6.879 11.429 1.00 0.31 H new ATOM 0 HB3 ASP A 70 -5.580 8.416 11.715 1.00 0.31 H new ATOM 1083 N MET A 71 -4.094 7.487 8.630 1.00 0.20 N ATOM 1084 CA MET A 71 -3.129 6.546 8.088 1.00 0.20 C ATOM 1085 C MET A 71 -1.744 6.702 8.698 1.00 0.22 C ATOM 1086 O MET A 71 -1.418 7.722 9.308 1.00 0.26 O ATOM 1087 CB MET A 71 -3.031 6.727 6.583 1.00 0.22 C ATOM 1088 CG MET A 71 -4.366 6.642 5.889 1.00 0.19 C ATOM 1089 SD MET A 71 -4.385 7.542 4.337 1.00 0.20 S ATOM 1090 CE MET A 71 -6.145 7.622 4.082 1.00 0.20 C ATOM 0 H MET A 71 -3.828 8.469 8.552 1.00 0.20 H new ATOM 0 HA MET A 71 -3.486 5.547 8.337 1.00 0.20 H new ATOM 0 HB2 MET A 71 -2.578 7.695 6.368 1.00 0.22 H new ATOM 0 HB3 MET A 71 -2.367 5.966 6.174 1.00 0.22 H new ATOM 0 HG2 MET A 71 -4.610 5.596 5.703 1.00 0.19 H new ATOM 0 HG3 MET A 71 -5.140 7.038 6.546 1.00 0.19 H new ATOM 0 HE1 MET A 71 -6.351 7.974 3.071 1.00 0.20 H new ATOM 0 HE2 MET A 71 -6.578 6.631 4.216 1.00 0.20 H new ATOM 0 HE3 MET A 71 -6.586 8.311 4.803 1.00 0.20 H new ATOM 1100 N GLU A 72 -0.943 5.665 8.520 1.00 0.24 N ATOM 1101 CA GLU A 72 0.426 5.627 8.995 1.00 0.25 C ATOM 1102 C GLU A 72 1.235 4.708 8.087 1.00 0.26 C ATOM 1103 O GLU A 72 0.716 3.708 7.583 1.00 0.29 O ATOM 1104 CB GLU A 72 0.489 5.128 10.446 1.00 0.28 C ATOM 1105 CG GLU A 72 1.871 4.658 10.875 1.00 0.30 C ATOM 1106 CD GLU A 72 1.870 4.007 12.242 1.00 0.67 C ATOM 1107 OE1 GLU A 72 0.972 4.316 13.054 1.00 1.32 O ATOM 1108 OE2 GLU A 72 2.773 3.190 12.513 1.00 1.47 O ATOM 0 H GLU A 72 -1.231 4.815 8.035 1.00 0.24 H new ATOM 0 HA GLU A 72 0.842 6.634 8.971 1.00 0.25 H new ATOM 0 HB2 GLU A 72 0.166 5.930 11.110 1.00 0.28 H new ATOM 0 HB3 GLU A 72 -0.218 4.307 10.569 1.00 0.28 H new ATOM 0 HG2 GLU A 72 2.253 3.949 10.140 1.00 0.30 H new ATOM 0 HG3 GLU A 72 2.553 5.508 10.883 1.00 0.30 H new ATOM 1115 N THR A 73 2.486 5.049 7.860 1.00 0.26 N ATOM 1116 CA THR A 73 3.339 4.238 7.017 1.00 0.28 C ATOM 1117 C THR A 73 4.258 3.379 7.867 1.00 0.30 C ATOM 1118 O THR A 73 4.283 3.502 9.092 1.00 0.36 O ATOM 1119 CB THR A 73 4.189 5.108 6.082 1.00 0.28 C ATOM 1120 OG1 THR A 73 5.165 5.821 6.849 1.00 0.28 O ATOM 1121 CG2 THR A 73 3.315 6.092 5.325 1.00 0.32 C ATOM 0 H THR A 73 2.934 5.880 8.246 1.00 0.26 H new ATOM 0 HA THR A 73 2.692 3.601 6.413 1.00 0.28 H new ATOM 0 HB THR A 73 4.689 4.462 5.360 1.00 0.28 H new ATOM 0 HG1 THR A 73 6.059 5.637 6.492 1.00 0.28 H new ATOM 0 HG21 THR A 73 3.937 6.700 4.667 1.00 0.32 H new ATOM 0 HG22 THR A 73 2.583 5.546 4.730 1.00 0.32 H new ATOM 0 HG23 THR A 73 2.797 6.738 6.034 1.00 0.32 H new ATOM 1129 N MET A 74 5.032 2.531 7.217 1.00 0.32 N ATOM 1130 CA MET A 74 5.945 1.660 7.927 1.00 0.34 C ATOM 1131 C MET A 74 7.184 2.432 8.370 1.00 0.31 C ATOM 1132 O MET A 74 7.929 1.980 9.240 1.00 0.37 O ATOM 1133 CB MET A 74 6.362 0.481 7.051 1.00 0.42 C ATOM 1134 CG MET A 74 5.331 -0.631 6.963 1.00 0.76 C ATOM 1135 SD MET A 74 5.944 -2.065 6.056 1.00 0.93 S ATOM 1136 CE MET A 74 4.702 -3.281 6.484 1.00 1.05 C ATOM 0 H MET A 74 5.046 2.428 6.202 1.00 0.32 H new ATOM 0 HA MET A 74 5.428 1.278 8.807 1.00 0.34 H new ATOM 0 HB2 MET A 74 6.571 0.847 6.046 1.00 0.42 H new ATOM 0 HB3 MET A 74 7.293 0.067 7.439 1.00 0.42 H new ATOM 0 HG2 MET A 74 5.043 -0.936 7.969 1.00 0.76 H new ATOM 0 HG3 MET A 74 4.433 -0.252 6.475 1.00 0.76 H new ATOM 0 HE1 MET A 74 5.171 -4.259 6.589 1.00 1.05 H new ATOM 0 HE2 MET A 74 4.229 -3.002 7.426 1.00 1.05 H new ATOM 0 HE3 MET A 74 3.948 -3.323 5.698 1.00 1.05 H new ATOM 1146 N GLY A 75 7.402 3.593 7.758 1.00 0.28 N ATOM 1147 CA GLY A 75 8.544 4.410 8.100 1.00 0.31 C ATOM 1148 C GLY A 75 8.284 5.275 9.319 1.00 0.35 C ATOM 1149 O GLY A 75 9.183 5.956 9.806 1.00 0.48 O ATOM 0 H GLY A 75 6.803 3.980 7.029 1.00 0.28 H new ATOM 0 HA2 GLY A 75 9.405 3.768 8.289 1.00 0.31 H new ATOM 0 HA3 GLY A 75 8.800 5.046 7.253 1.00 0.31 H new ATOM 1153 N GLY A 76 7.046 5.257 9.798 1.00 0.34 N ATOM 1154 CA GLY A 76 6.691 6.033 10.970 1.00 0.39 C ATOM 1155 C GLY A 76 6.128 7.399 10.631 1.00 0.38 C ATOM 1156 O GLY A 76 6.560 8.415 11.182 1.00 0.48 O ATOM 0 H GLY A 76 6.280 4.717 9.394 1.00 0.34 H new ATOM 0 HA2 GLY A 76 5.957 5.480 11.556 1.00 0.39 H new ATOM 0 HA3 GLY A 76 7.573 6.156 11.598 1.00 0.39 H new ATOM 1160 N ARG A 77 5.172 7.432 9.720 1.00 0.38 N ATOM 1161 CA ARG A 77 4.545 8.686 9.325 1.00 0.38 C ATOM 1162 C ARG A 77 3.087 8.713 9.752 1.00 0.37 C ATOM 1163 O ARG A 77 2.314 7.832 9.390 1.00 0.36 O ATOM 1164 CB ARG A 77 4.626 8.885 7.811 1.00 0.37 C ATOM 1165 CG ARG A 77 6.009 8.676 7.233 1.00 0.39 C ATOM 1166 CD ARG A 77 6.021 8.895 5.728 1.00 0.43 C ATOM 1167 NE ARG A 77 6.588 10.192 5.367 1.00 0.52 N ATOM 1168 CZ ARG A 77 7.845 10.366 4.961 1.00 0.67 C ATOM 1169 NH1 ARG A 77 8.659 9.328 4.827 1.00 0.80 N ATOM 1170 NH2 ARG A 77 8.291 11.581 4.682 1.00 0.85 N ATOM 0 H ARG A 77 4.812 6.608 9.239 1.00 0.38 H new ATOM 0 HA ARG A 77 5.084 9.493 9.821 1.00 0.38 H new ATOM 0 HB2 ARG A 77 3.934 8.196 7.327 1.00 0.37 H new ATOM 0 HB3 ARG A 77 4.292 9.894 7.570 1.00 0.37 H new ATOM 0 HG2 ARG A 77 6.711 9.362 7.708 1.00 0.39 H new ATOM 0 HG3 ARG A 77 6.350 7.665 7.458 1.00 0.39 H new ATOM 0 HD2 ARG A 77 6.597 8.102 5.251 1.00 0.43 H new ATOM 0 HD3 ARG A 77 5.003 8.825 5.344 1.00 0.43 H new ATOM 0 HE ARG A 77 5.986 11.013 5.429 1.00 0.52 H new ATOM 0 HH11 ARG A 77 8.324 8.387 5.035 1.00 0.80 H new ATOM 0 HH12 ARG A 77 9.620 9.470 4.516 1.00 0.80 H new ATOM 0 HH21 ARG A 77 7.672 12.386 4.778 1.00 0.85 H new ATOM 0 HH22 ARG A 77 9.254 11.712 4.371 1.00 0.85 H new ATOM 1184 N LYS A 78 2.722 9.716 10.531 1.00 0.42 N ATOM 1185 CA LYS A 78 1.347 9.867 10.990 1.00 0.43 C ATOM 1186 C LYS A 78 0.654 10.924 10.140 1.00 0.39 C ATOM 1187 O LYS A 78 1.124 12.060 10.063 1.00 0.44 O ATOM 1188 CB LYS A 78 1.318 10.272 12.466 1.00 0.57 C ATOM 1189 CG LYS A 78 2.178 9.395 13.365 1.00 0.75 C ATOM 1190 CD LYS A 78 1.588 8.005 13.508 1.00 1.12 C ATOM 1191 CE LYS A 78 2.375 7.168 14.500 1.00 1.69 C ATOM 1192 NZ LYS A 78 1.582 6.014 15.004 1.00 1.76 N ATOM 0 H LYS A 78 3.359 10.441 10.861 1.00 0.42 H new ATOM 0 HA LYS A 78 0.825 8.916 10.889 1.00 0.43 H new ATOM 0 HB2 LYS A 78 1.653 11.305 12.555 1.00 0.57 H new ATOM 0 HB3 LYS A 78 0.288 10.239 12.821 1.00 0.57 H new ATOM 0 HG2 LYS A 78 3.184 9.324 12.952 1.00 0.75 H new ATOM 0 HG3 LYS A 78 2.268 9.857 14.348 1.00 0.75 H new ATOM 0 HD2 LYS A 78 0.551 8.080 13.835 1.00 1.12 H new ATOM 0 HD3 LYS A 78 1.581 7.510 12.537 1.00 1.12 H new ATOM 0 HE2 LYS A 78 3.286 6.803 14.025 1.00 1.69 H new ATOM 0 HE3 LYS A 78 2.681 7.792 15.339 1.00 1.69 H new ATOM 0 HZ1 LYS A 78 2.208 5.359 15.514 1.00 1.76 H new ATOM 0 HZ2 LYS A 78 0.841 6.357 15.649 1.00 1.76 H new ATOM 0 HZ3 LYS A 78 1.141 5.519 14.202 1.00 1.76 H new ATOM 1206 N PHE A 79 -0.446 10.561 9.490 1.00 0.33 N ATOM 1207 CA PHE A 79 -1.147 11.504 8.624 1.00 0.31 C ATOM 1208 C PHE A 79 -2.572 11.053 8.329 1.00 0.28 C ATOM 1209 O PHE A 79 -3.001 9.983 8.752 1.00 0.29 O ATOM 1210 CB PHE A 79 -0.368 11.630 7.306 1.00 0.31 C ATOM 1211 CG PHE A 79 -0.264 10.329 6.551 1.00 0.28 C ATOM 1212 CD1 PHE A 79 0.737 9.417 6.850 1.00 1.07 C ATOM 1213 CD2 PHE A 79 -1.178 10.005 5.561 1.00 1.17 C ATOM 1214 CE1 PHE A 79 0.825 8.215 6.180 1.00 1.09 C ATOM 1215 CE2 PHE A 79 -1.096 8.802 4.890 1.00 1.16 C ATOM 1216 CZ PHE A 79 -0.096 7.905 5.199 1.00 0.26 C ATOM 0 H PHE A 79 -0.868 9.634 9.544 1.00 0.33 H new ATOM 0 HA PHE A 79 -1.205 12.465 9.136 1.00 0.31 H new ATOM 0 HB2 PHE A 79 -0.855 12.372 6.673 1.00 0.31 H new ATOM 0 HB3 PHE A 79 0.635 12.001 7.518 1.00 0.31 H new ATOM 0 HD1 PHE A 79 1.458 9.652 7.619 1.00 1.07 H new ATOM 0 HD2 PHE A 79 -1.964 10.702 5.312 1.00 1.17 H new ATOM 0 HE1 PHE A 79 1.613 7.517 6.422 1.00 1.09 H new ATOM 0 HE2 PHE A 79 -1.816 8.563 4.122 1.00 1.16 H new ATOM 0 HZ PHE A 79 -0.033 6.963 4.675 1.00 0.26 H new ATOM 1226 N LYS A 80 -3.306 11.899 7.618 1.00 0.29 N ATOM 1227 CA LYS A 80 -4.666 11.603 7.212 1.00 0.33 C ATOM 1228 C LYS A 80 -4.844 11.938 5.742 1.00 0.27 C ATOM 1229 O LYS A 80 -4.160 12.816 5.210 1.00 0.28 O ATOM 1230 CB LYS A 80 -5.665 12.400 8.043 1.00 0.44 C ATOM 1231 CG LYS A 80 -5.867 11.847 9.437 1.00 0.65 C ATOM 1232 CD LYS A 80 -5.704 12.930 10.484 1.00 0.81 C ATOM 1233 CE LYS A 80 -6.522 12.641 11.736 1.00 1.64 C ATOM 1234 NZ LYS A 80 -7.944 12.328 11.424 1.00 2.55 N ATOM 0 H LYS A 80 -2.971 12.811 7.308 1.00 0.29 H new ATOM 0 HA LYS A 80 -4.851 10.541 7.372 1.00 0.33 H new ATOM 0 HB2 LYS A 80 -5.323 13.432 8.116 1.00 0.44 H new ATOM 0 HB3 LYS A 80 -6.624 12.418 7.525 1.00 0.44 H new ATOM 0 HG2 LYS A 80 -6.861 11.407 9.516 1.00 0.65 H new ATOM 0 HG3 LYS A 80 -5.149 11.048 9.622 1.00 0.65 H new ATOM 0 HD2 LYS A 80 -4.651 13.020 10.752 1.00 0.81 H new ATOM 0 HD3 LYS A 80 -6.009 13.889 10.065 1.00 0.81 H new ATOM 0 HE2 LYS A 80 -6.077 11.803 12.272 1.00 1.64 H new ATOM 0 HE3 LYS A 80 -6.480 13.503 12.402 1.00 1.64 H new ATOM 0 HZ1 LYS A 80 -8.565 12.846 12.078 1.00 2.55 H new ATOM 0 HZ2 LYS A 80 -8.156 12.613 10.447 1.00 2.55 H new ATOM 0 HZ3 LYS A 80 -8.106 11.306 11.529 1.00 2.55 H new ATOM 1248 N ALA A 81 -5.756 11.244 5.093 1.00 0.24 N ATOM 1249 CA ALA A 81 -6.024 11.471 3.683 1.00 0.20 C ATOM 1250 C ALA A 81 -7.421 11.006 3.326 1.00 0.19 C ATOM 1251 O ALA A 81 -8.038 10.244 4.074 1.00 0.19 O ATOM 1252 CB ALA A 81 -4.983 10.764 2.823 1.00 0.21 C ATOM 0 H ALA A 81 -6.328 10.515 5.519 1.00 0.24 H new ATOM 0 HA ALA A 81 -5.961 12.541 3.486 1.00 0.20 H new ATOM 0 HB1 ALA A 81 -5.198 10.944 1.770 1.00 0.21 H new ATOM 0 HB2 ALA A 81 -3.992 11.149 3.062 1.00 0.21 H new ATOM 0 HB3 ALA A 81 -5.014 9.693 3.022 1.00 0.21 H new ATOM 1258 N THR A 82 -7.926 11.478 2.201 1.00 0.19 N ATOM 1259 CA THR A 82 -9.244 11.088 1.744 1.00 0.19 C ATOM 1260 C THR A 82 -9.115 10.050 0.637 1.00 0.20 C ATOM 1261 O THR A 82 -8.310 10.212 -0.285 1.00 0.28 O ATOM 1262 CB THR A 82 -10.047 12.301 1.236 1.00 0.23 C ATOM 1263 OG1 THR A 82 -9.641 13.490 1.935 1.00 0.33 O ATOM 1264 CG2 THR A 82 -11.540 12.074 1.432 1.00 0.25 C ATOM 0 H THR A 82 -7.441 12.133 1.587 1.00 0.19 H new ATOM 0 HA THR A 82 -9.784 10.661 2.589 1.00 0.19 H new ATOM 0 HB THR A 82 -9.848 12.424 0.171 1.00 0.23 H new ATOM 0 HG1 THR A 82 -10.155 14.256 1.604 1.00 0.33 H new ATOM 0 HG21 THR A 82 -12.091 12.941 1.067 1.00 0.25 H new ATOM 0 HG22 THR A 82 -11.849 11.188 0.877 1.00 0.25 H new ATOM 0 HG23 THR A 82 -11.750 11.930 2.492 1.00 0.25 H new ATOM 1272 N VAL A 83 -9.889 8.984 0.739 1.00 0.15 N ATOM 1273 CA VAL A 83 -9.842 7.919 -0.243 1.00 0.15 C ATOM 1274 C VAL A 83 -11.187 7.778 -0.929 1.00 0.16 C ATOM 1275 O VAL A 83 -12.221 7.762 -0.270 1.00 0.19 O ATOM 1276 CB VAL A 83 -9.465 6.577 0.412 1.00 0.15 C ATOM 1277 CG1 VAL A 83 -9.345 5.496 -0.639 1.00 0.15 C ATOM 1278 CG2 VAL A 83 -8.170 6.705 1.190 1.00 0.19 C ATOM 0 H VAL A 83 -10.558 8.834 1.494 1.00 0.15 H new ATOM 0 HA VAL A 83 -9.080 8.178 -0.978 1.00 0.15 H new ATOM 0 HB VAL A 83 -10.256 6.300 1.109 1.00 0.15 H new ATOM 0 HG11 VAL A 83 -9.078 4.553 -0.162 1.00 0.15 H new ATOM 0 HG12 VAL A 83 -10.298 5.384 -1.156 1.00 0.15 H new ATOM 0 HG13 VAL A 83 -8.572 5.771 -1.357 1.00 0.15 H new ATOM 0 HG21 VAL A 83 -7.922 5.746 1.644 1.00 0.19 H new ATOM 0 HG22 VAL A 83 -7.368 7.005 0.515 1.00 0.19 H new ATOM 0 HG23 VAL A 83 -8.287 7.457 1.971 1.00 0.19 H new ATOM 1288 N LYS A 84 -11.167 7.678 -2.243 1.00 0.17 N ATOM 1289 CA LYS A 84 -12.382 7.536 -3.020 1.00 0.19 C ATOM 1290 C LYS A 84 -12.260 6.325 -3.931 1.00 0.19 C ATOM 1291 O LYS A 84 -11.220 5.668 -3.959 1.00 0.21 O ATOM 1292 CB LYS A 84 -12.643 8.810 -3.837 1.00 0.21 C ATOM 1293 CG LYS A 84 -11.454 9.232 -4.683 1.00 0.26 C ATOM 1294 CD LYS A 84 -11.442 10.723 -4.961 1.00 0.42 C ATOM 1295 CE LYS A 84 -10.116 11.149 -5.569 1.00 0.49 C ATOM 1296 NZ LYS A 84 -10.103 12.594 -5.907 1.00 1.14 N ATOM 0 H LYS A 84 -10.313 7.693 -2.800 1.00 0.17 H new ATOM 0 HA LYS A 84 -13.227 7.388 -2.348 1.00 0.19 H new ATOM 0 HB2 LYS A 84 -13.503 8.648 -4.486 1.00 0.21 H new ATOM 0 HB3 LYS A 84 -12.904 9.622 -3.158 1.00 0.21 H new ATOM 0 HG2 LYS A 84 -10.532 8.953 -4.174 1.00 0.26 H new ATOM 0 HG3 LYS A 84 -11.473 8.689 -5.628 1.00 0.26 H new ATOM 0 HD2 LYS A 84 -12.256 10.977 -5.639 1.00 0.42 H new ATOM 0 HD3 LYS A 84 -11.615 11.271 -4.035 1.00 0.42 H new ATOM 0 HE2 LYS A 84 -9.309 10.932 -4.869 1.00 0.49 H new ATOM 0 HE3 LYS A 84 -9.924 10.564 -6.468 1.00 0.49 H new ATOM 0 HZ1 LYS A 84 -9.182 12.846 -6.319 1.00 1.14 H new ATOM 0 HZ2 LYS A 84 -10.857 12.797 -6.594 1.00 1.14 H new ATOM 0 HZ3 LYS A 84 -10.261 13.154 -5.045 1.00 1.14 H new ATOM 1310 N MET A 85 -13.314 6.019 -4.660 1.00 0.21 N ATOM 1311 CA MET A 85 -13.299 4.886 -5.563 1.00 0.22 C ATOM 1312 C MET A 85 -13.685 5.333 -6.964 1.00 0.28 C ATOM 1313 O MET A 85 -14.661 6.065 -7.141 1.00 0.41 O ATOM 1314 CB MET A 85 -14.250 3.794 -5.071 1.00 0.23 C ATOM 1315 CG MET A 85 -13.551 2.509 -4.671 1.00 0.21 C ATOM 1316 SD MET A 85 -14.709 1.221 -4.166 1.00 0.26 S ATOM 1317 CE MET A 85 -13.610 0.142 -3.258 1.00 0.25 C ATOM 0 H MET A 85 -14.192 6.539 -4.645 1.00 0.21 H new ATOM 0 HA MET A 85 -12.290 4.474 -5.590 1.00 0.22 H new ATOM 0 HB2 MET A 85 -14.812 4.172 -4.217 1.00 0.23 H new ATOM 0 HB3 MET A 85 -14.973 3.574 -5.856 1.00 0.23 H new ATOM 0 HG2 MET A 85 -12.954 2.148 -5.508 1.00 0.21 H new ATOM 0 HG3 MET A 85 -12.861 2.714 -3.852 1.00 0.21 H new ATOM 0 HE1 MET A 85 -14.188 -0.653 -2.786 1.00 0.25 H new ATOM 0 HE2 MET A 85 -12.882 -0.295 -3.942 1.00 0.25 H new ATOM 0 HE3 MET A 85 -13.089 0.715 -2.491 1.00 0.25 H new ATOM 1327 N GLU A 86 -12.917 4.907 -7.955 1.00 0.26 N ATOM 1328 CA GLU A 86 -13.182 5.277 -9.335 1.00 0.32 C ATOM 1329 C GLU A 86 -13.410 4.042 -10.208 1.00 0.29 C ATOM 1330 O GLU A 86 -12.486 3.531 -10.842 1.00 0.36 O ATOM 1331 CB GLU A 86 -12.032 6.119 -9.897 1.00 0.48 C ATOM 1332 CG GLU A 86 -10.648 5.585 -9.553 1.00 1.22 C ATOM 1333 CD GLU A 86 -9.551 6.258 -10.344 1.00 1.99 C ATOM 1334 OE1 GLU A 86 -9.264 7.443 -10.080 1.00 2.67 O ATOM 1335 OE2 GLU A 86 -8.977 5.609 -11.244 1.00 2.46 O ATOM 0 H GLU A 86 -12.104 4.304 -7.828 1.00 0.26 H new ATOM 0 HA GLU A 86 -14.094 5.873 -9.349 1.00 0.32 H new ATOM 0 HB2 GLU A 86 -12.130 6.172 -10.981 1.00 0.48 H new ATOM 0 HB3 GLU A 86 -12.122 7.137 -9.518 1.00 0.48 H new ATOM 0 HG2 GLU A 86 -10.462 5.727 -8.488 1.00 1.22 H new ATOM 0 HG3 GLU A 86 -10.620 4.512 -9.741 1.00 1.22 H new ATOM 1342 N GLY A 87 -14.641 3.555 -10.221 1.00 0.37 N ATOM 1343 CA GLY A 87 -14.962 2.396 -11.027 1.00 0.46 C ATOM 1344 C GLY A 87 -14.450 1.102 -10.424 1.00 0.38 C ATOM 1345 O GLY A 87 -13.919 0.247 -11.132 1.00 0.36 O ATOM 0 H GLY A 87 -15.422 3.940 -9.689 1.00 0.37 H new ATOM 0 HA2 GLY A 87 -16.043 2.332 -11.149 1.00 0.46 H new ATOM 0 HA3 GLY A 87 -14.536 2.522 -12.022 1.00 0.46 H new ATOM 1349 N GLY A 88 -14.598 0.966 -9.114 1.00 0.36 N ATOM 1350 CA GLY A 88 -14.152 -0.239 -8.437 1.00 0.33 C ATOM 1351 C GLY A 88 -12.681 -0.199 -8.070 1.00 0.27 C ATOM 1352 O GLY A 88 -12.119 -1.194 -7.623 1.00 0.32 O ATOM 0 H GLY A 88 -15.019 1.668 -8.506 1.00 0.36 H new ATOM 0 HA2 GLY A 88 -14.743 -0.382 -7.532 1.00 0.33 H new ATOM 0 HA3 GLY A 88 -14.338 -1.100 -9.079 1.00 0.33 H new ATOM 1356 N LYS A 89 -12.065 0.956 -8.253 1.00 0.22 N ATOM 1357 CA LYS A 89 -10.657 1.135 -7.938 1.00 0.19 C ATOM 1358 C LYS A 89 -10.519 2.099 -6.776 1.00 0.17 C ATOM 1359 O LYS A 89 -11.113 3.175 -6.791 1.00 0.20 O ATOM 1360 CB LYS A 89 -9.894 1.696 -9.139 1.00 0.24 C ATOM 1361 CG LYS A 89 -10.179 0.999 -10.450 1.00 0.28 C ATOM 1362 CD LYS A 89 -9.733 1.848 -11.632 1.00 0.52 C ATOM 1363 CE LYS A 89 -8.249 2.191 -11.565 1.00 1.06 C ATOM 1364 NZ LYS A 89 -7.911 3.370 -12.408 1.00 1.76 N ATOM 0 H LYS A 89 -12.522 1.790 -8.621 1.00 0.22 H new ATOM 0 HA LYS A 89 -10.239 0.163 -7.678 1.00 0.19 H new ATOM 0 HB2 LYS A 89 -10.137 2.753 -9.245 1.00 0.24 H new ATOM 0 HB3 LYS A 89 -8.825 1.633 -8.935 1.00 0.24 H new ATOM 0 HG2 LYS A 89 -9.664 0.038 -10.474 1.00 0.28 H new ATOM 0 HG3 LYS A 89 -11.246 0.791 -10.530 1.00 0.28 H new ATOM 0 HD2 LYS A 89 -9.940 1.314 -12.560 1.00 0.52 H new ATOM 0 HD3 LYS A 89 -10.316 2.768 -11.657 1.00 0.52 H new ATOM 0 HE2 LYS A 89 -7.970 2.393 -10.531 1.00 1.06 H new ATOM 0 HE3 LYS A 89 -7.663 1.332 -11.892 1.00 1.06 H new ATOM 0 HZ1 LYS A 89 -6.913 3.317 -12.695 1.00 1.76 H new ATOM 0 HZ2 LYS A 89 -8.515 3.376 -13.255 1.00 1.76 H new ATOM 0 HZ3 LYS A 89 -8.069 4.242 -11.864 1.00 1.76 H new ATOM 1378 N ILE A 90 -9.760 1.715 -5.774 1.00 0.17 N ATOM 1379 CA ILE A 90 -9.556 2.569 -4.618 1.00 0.16 C ATOM 1380 C ILE A 90 -8.427 3.555 -4.888 1.00 0.17 C ATOM 1381 O ILE A 90 -7.278 3.157 -5.049 1.00 0.22 O ATOM 1382 CB ILE A 90 -9.227 1.753 -3.354 1.00 0.17 C ATOM 1383 CG1 ILE A 90 -10.116 0.504 -3.268 1.00 0.19 C ATOM 1384 CG2 ILE A 90 -9.401 2.621 -2.130 1.00 0.18 C ATOM 1385 CD1 ILE A 90 -10.323 -0.033 -1.858 1.00 0.20 C ATOM 0 H ILE A 90 -9.273 0.819 -5.733 1.00 0.17 H new ATOM 0 HA ILE A 90 -10.487 3.107 -4.443 1.00 0.16 H new ATOM 0 HB ILE A 90 -8.190 1.421 -3.406 1.00 0.17 H new ATOM 0 HG12 ILE A 90 -11.089 0.737 -3.700 1.00 0.19 H new ATOM 0 HG13 ILE A 90 -9.675 -0.282 -3.881 1.00 0.19 H new ATOM 0 HG21 ILE A 90 -9.168 2.041 -1.237 1.00 0.18 H new ATOM 0 HG22 ILE A 90 -8.729 3.477 -2.193 1.00 0.18 H new ATOM 0 HG23 ILE A 90 -10.432 2.972 -2.076 1.00 0.18 H new ATOM 0 HD11 ILE A 90 -10.963 -0.915 -1.895 1.00 0.20 H new ATOM 0 HD12 ILE A 90 -9.359 -0.302 -1.426 1.00 0.20 H new ATOM 0 HD13 ILE A 90 -10.795 0.733 -1.243 1.00 0.20 H new ATOM 1397 N VAL A 91 -8.754 4.837 -4.948 1.00 0.15 N ATOM 1398 CA VAL A 91 -7.754 5.857 -5.214 1.00 0.17 C ATOM 1399 C VAL A 91 -7.604 6.818 -4.034 1.00 0.16 C ATOM 1400 O VAL A 91 -8.588 7.326 -3.491 1.00 0.16 O ATOM 1401 CB VAL A 91 -8.091 6.649 -6.502 1.00 0.20 C ATOM 1402 CG1 VAL A 91 -9.491 7.226 -6.443 1.00 0.25 C ATOM 1403 CG2 VAL A 91 -7.076 7.754 -6.743 1.00 0.25 C ATOM 0 H VAL A 91 -9.700 5.194 -4.817 1.00 0.15 H new ATOM 0 HA VAL A 91 -6.804 5.342 -5.359 1.00 0.17 H new ATOM 0 HB VAL A 91 -8.046 5.949 -7.337 1.00 0.20 H new ATOM 0 HG11 VAL A 91 -9.697 7.776 -7.361 1.00 0.25 H new ATOM 0 HG12 VAL A 91 -10.214 6.417 -6.335 1.00 0.25 H new ATOM 0 HG13 VAL A 91 -9.571 7.901 -5.591 1.00 0.25 H new ATOM 0 HG21 VAL A 91 -7.336 8.294 -7.653 1.00 0.25 H new ATOM 0 HG22 VAL A 91 -7.080 8.443 -5.898 1.00 0.25 H new ATOM 0 HG23 VAL A 91 -6.083 7.318 -6.851 1.00 0.25 H new ATOM 1413 N ALA A 92 -6.364 7.050 -3.640 1.00 0.18 N ATOM 1414 CA ALA A 92 -6.056 7.948 -2.545 1.00 0.19 C ATOM 1415 C ALA A 92 -5.323 9.174 -3.077 1.00 0.20 C ATOM 1416 O ALA A 92 -4.466 9.058 -3.958 1.00 0.25 O ATOM 1417 CB ALA A 92 -5.218 7.238 -1.494 1.00 0.22 C ATOM 0 H ALA A 92 -5.545 6.621 -4.070 1.00 0.18 H new ATOM 0 HA ALA A 92 -6.986 8.268 -2.076 1.00 0.19 H new ATOM 0 HB1 ALA A 92 -4.996 7.927 -0.679 1.00 0.22 H new ATOM 0 HB2 ALA A 92 -5.770 6.382 -1.105 1.00 0.22 H new ATOM 0 HB3 ALA A 92 -4.286 6.895 -1.943 1.00 0.22 H new ATOM 1423 N ASP A 93 -5.663 10.339 -2.550 1.00 0.22 N ATOM 1424 CA ASP A 93 -5.042 11.582 -2.988 1.00 0.26 C ATOM 1425 C ASP A 93 -3.963 12.038 -2.012 1.00 0.22 C ATOM 1426 O ASP A 93 -4.221 12.218 -0.820 1.00 0.23 O ATOM 1427 CB ASP A 93 -6.093 12.679 -3.146 1.00 0.37 C ATOM 1428 CG ASP A 93 -5.473 14.052 -3.316 1.00 0.50 C ATOM 1429 OD1 ASP A 93 -4.760 14.269 -4.319 1.00 1.19 O ATOM 1430 OD2 ASP A 93 -5.698 14.924 -2.447 1.00 0.88 O ATOM 0 H ASP A 93 -6.365 10.452 -1.819 1.00 0.22 H new ATOM 0 HA ASP A 93 -4.573 11.393 -3.954 1.00 0.26 H new ATOM 0 HB2 ASP A 93 -6.720 12.457 -4.010 1.00 0.37 H new ATOM 0 HB3 ASP A 93 -6.745 12.683 -2.272 1.00 0.37 H new ATOM 1435 N PHE A 94 -2.757 12.230 -2.535 1.00 0.22 N ATOM 1436 CA PHE A 94 -1.615 12.662 -1.736 1.00 0.21 C ATOM 1437 C PHE A 94 -0.746 13.637 -2.533 1.00 0.24 C ATOM 1438 O PHE A 94 -0.759 13.623 -3.767 1.00 0.26 O ATOM 1439 CB PHE A 94 -0.765 11.455 -1.325 1.00 0.21 C ATOM 1440 CG PHE A 94 -1.384 10.588 -0.275 1.00 0.20 C ATOM 1441 CD1 PHE A 94 -1.238 10.898 1.064 1.00 1.14 C ATOM 1442 CD2 PHE A 94 -2.103 9.458 -0.625 1.00 1.26 C ATOM 1443 CE1 PHE A 94 -1.799 10.099 2.033 1.00 1.14 C ATOM 1444 CE2 PHE A 94 -2.666 8.656 0.344 1.00 1.27 C ATOM 1445 CZ PHE A 94 -2.513 8.975 1.672 1.00 0.25 C ATOM 0 H PHE A 94 -2.543 12.091 -3.523 1.00 0.22 H new ATOM 0 HA PHE A 94 -1.994 13.160 -0.844 1.00 0.21 H new ATOM 0 HB2 PHE A 94 -0.567 10.848 -2.209 1.00 0.21 H new ATOM 0 HB3 PHE A 94 0.198 11.812 -0.961 1.00 0.21 H new ATOM 0 HD1 PHE A 94 -0.678 11.776 1.352 1.00 1.14 H new ATOM 0 HD2 PHE A 94 -2.224 9.203 -1.667 1.00 1.26 H new ATOM 0 HE1 PHE A 94 -1.681 10.352 3.076 1.00 1.14 H new ATOM 0 HE2 PHE A 94 -3.227 7.778 0.060 1.00 1.27 H new ATOM 0 HZ PHE A 94 -2.951 8.346 2.433 1.00 0.25 H new ATOM 1455 N PRO A 95 0.003 14.509 -1.843 1.00 0.26 N ATOM 1456 CA PRO A 95 0.893 15.459 -2.504 1.00 0.29 C ATOM 1457 C PRO A 95 2.060 14.754 -3.191 1.00 0.26 C ATOM 1458 O PRO A 95 2.895 14.132 -2.530 1.00 0.27 O ATOM 1459 CB PRO A 95 1.395 16.351 -1.370 1.00 0.36 C ATOM 1460 CG PRO A 95 1.175 15.579 -0.113 1.00 0.32 C ATOM 1461 CD PRO A 95 0.018 14.653 -0.373 1.00 0.28 C ATOM 0 HA PRO A 95 0.383 16.016 -3.290 1.00 0.29 H new ATOM 0 HB2 PRO A 95 2.450 16.592 -1.501 1.00 0.36 H new ATOM 0 HB3 PRO A 95 0.853 17.296 -1.348 1.00 0.36 H new ATOM 0 HG2 PRO A 95 2.068 15.016 0.157 1.00 0.32 H new ATOM 0 HG3 PRO A 95 0.956 16.248 0.719 1.00 0.32 H new ATOM 0 HD2 PRO A 95 0.157 13.692 0.121 1.00 0.28 H new ATOM 0 HD3 PRO A 95 -0.919 15.070 -0.003 1.00 0.28 H new ATOM 1469 N ASN A 96 2.097 14.847 -4.523 1.00 0.27 N ATOM 1470 CA ASN A 96 3.139 14.213 -5.340 1.00 0.29 C ATOM 1471 C ASN A 96 3.151 12.700 -5.117 1.00 0.28 C ATOM 1472 O ASN A 96 4.170 12.032 -5.298 1.00 0.37 O ATOM 1473 CB ASN A 96 4.517 14.812 -5.041 1.00 0.35 C ATOM 1474 CG ASN A 96 5.454 14.736 -6.235 1.00 0.77 C ATOM 1475 OD1 ASN A 96 5.237 13.964 -7.170 1.00 1.27 O ATOM 1476 ND2 ASN A 96 6.506 15.534 -6.212 1.00 1.50 N ATOM 0 H ASN A 96 1.406 15.364 -5.067 1.00 0.27 H new ATOM 0 HA ASN A 96 2.908 14.407 -6.387 1.00 0.29 H new ATOM 0 HB2 ASN A 96 4.400 15.853 -4.740 1.00 0.35 H new ATOM 0 HB3 ASN A 96 4.964 14.285 -4.198 1.00 0.35 H new ATOM 0 HD21 ASN A 96 7.171 15.524 -6.985 1.00 1.50 H new ATOM 0 HD22 ASN A 96 6.654 16.161 -5.421 1.00 1.50 H new ATOM 1483 N TYR A 97 2.001 12.176 -4.712 1.00 0.23 N ATOM 1484 CA TYR A 97 1.843 10.752 -4.464 1.00 0.21 C ATOM 1485 C TYR A 97 0.428 10.322 -4.840 1.00 0.21 C ATOM 1486 O TYR A 97 -0.553 10.869 -4.344 1.00 0.24 O ATOM 1487 CB TYR A 97 2.129 10.447 -2.988 1.00 0.22 C ATOM 1488 CG TYR A 97 2.489 9.004 -2.701 1.00 0.23 C ATOM 1489 CD1 TYR A 97 1.580 7.974 -2.922 1.00 1.14 C ATOM 1490 CD2 TYR A 97 3.745 8.672 -2.200 1.00 1.28 C ATOM 1491 CE1 TYR A 97 1.912 6.660 -2.655 1.00 1.14 C ATOM 1492 CE2 TYR A 97 4.081 7.359 -1.932 1.00 1.31 C ATOM 1493 CZ TYR A 97 3.160 6.357 -2.161 1.00 0.32 C ATOM 1494 OH TYR A 97 3.487 5.048 -1.897 1.00 0.38 O ATOM 0 H TYR A 97 1.157 12.724 -4.547 1.00 0.23 H new ATOM 0 HA TYR A 97 2.552 10.193 -5.075 1.00 0.21 H new ATOM 0 HB2 TYR A 97 2.945 11.086 -2.650 1.00 0.22 H new ATOM 0 HB3 TYR A 97 1.251 10.713 -2.399 1.00 0.22 H new ATOM 0 HD1 TYR A 97 0.599 8.206 -3.309 1.00 1.14 H new ATOM 0 HD2 TYR A 97 4.468 9.453 -2.018 1.00 1.28 H new ATOM 0 HE1 TYR A 97 1.194 5.873 -2.833 1.00 1.14 H new ATOM 0 HE2 TYR A 97 5.060 7.118 -1.545 1.00 1.31 H new ATOM 0 HH TYR A 97 4.345 4.834 -2.319 1.00 0.38 H new ATOM 1504 N HIS A 98 0.327 9.365 -5.740 1.00 0.21 N ATOM 1505 CA HIS A 98 -0.967 8.873 -6.175 1.00 0.22 C ATOM 1506 C HIS A 98 -1.031 7.364 -5.999 1.00 0.21 C ATOM 1507 O HIS A 98 -0.294 6.635 -6.653 1.00 0.24 O ATOM 1508 CB HIS A 98 -1.204 9.254 -7.637 1.00 0.25 C ATOM 1509 CG HIS A 98 -2.648 9.363 -8.006 1.00 0.52 C ATOM 1510 ND1 HIS A 98 -3.484 10.331 -7.499 1.00 0.81 N ATOM 1511 CD2 HIS A 98 -3.399 8.620 -8.848 1.00 0.81 C ATOM 1512 CE1 HIS A 98 -4.690 10.179 -8.012 1.00 1.09 C ATOM 1513 NE2 HIS A 98 -4.665 9.148 -8.834 1.00 1.09 N ATOM 0 H HIS A 98 1.125 8.912 -6.185 1.00 0.21 H new ATOM 0 HA HIS A 98 -1.749 9.328 -5.567 1.00 0.22 H new ATOM 0 HB2 HIS A 98 -0.714 10.207 -7.838 1.00 0.25 H new ATOM 0 HB3 HIS A 98 -0.730 8.510 -8.278 1.00 0.25 H new ATOM 0 HD2 HIS A 98 -3.065 7.770 -9.424 1.00 0.81 H new ATOM 0 HE1 HIS A 98 -5.551 10.794 -7.796 1.00 1.09 H new ATOM 0 HE2 HIS A 98 -5.458 8.800 -9.372 1.00 1.09 H new ATOM 1522 N HIS A 99 -1.904 6.906 -5.114 1.00 0.21 N ATOM 1523 CA HIS A 99 -2.041 5.478 -4.846 1.00 0.22 C ATOM 1524 C HIS A 99 -3.398 4.967 -5.316 1.00 0.21 C ATOM 1525 O HIS A 99 -4.436 5.503 -4.929 1.00 0.23 O ATOM 1526 CB HIS A 99 -1.873 5.209 -3.346 1.00 0.26 C ATOM 1527 CG HIS A 99 -1.583 3.775 -3.003 1.00 0.32 C ATOM 1528 ND1 HIS A 99 -0.309 3.358 -2.705 1.00 0.67 N ATOM 1529 CD2 HIS A 99 -2.427 2.716 -2.906 1.00 0.52 C ATOM 1530 CE1 HIS A 99 -0.405 2.067 -2.427 1.00 0.64 C ATOM 1531 NE2 HIS A 99 -1.668 1.634 -2.536 1.00 0.49 N ATOM 0 H HIS A 99 -2.529 7.500 -4.569 1.00 0.21 H new ATOM 0 HA HIS A 99 -1.264 4.948 -5.397 1.00 0.22 H new ATOM 0 HB2 HIS A 99 -1.064 5.832 -2.966 1.00 0.26 H new ATOM 0 HB3 HIS A 99 -2.782 5.517 -2.830 1.00 0.26 H new ATOM 0 HD2 HIS A 99 -3.492 2.724 -3.086 1.00 0.52 H new ATOM 0 HE1 HIS A 99 0.430 1.442 -2.147 1.00 0.64 H new ATOM 0 HE2 HIS A 99 -2.001 0.684 -2.375 1.00 0.49 H new ATOM 1539 N THR A 100 -3.379 3.945 -6.159 1.00 0.22 N ATOM 1540 CA THR A 100 -4.600 3.340 -6.675 1.00 0.22 C ATOM 1541 C THR A 100 -4.542 1.822 -6.537 1.00 0.23 C ATOM 1542 O THR A 100 -3.568 1.192 -6.956 1.00 0.31 O ATOM 1543 CB THR A 100 -4.830 3.693 -8.163 1.00 0.23 C ATOM 1544 OG1 THR A 100 -3.667 3.365 -8.936 1.00 0.26 O ATOM 1545 CG2 THR A 100 -5.157 5.171 -8.337 1.00 0.24 C ATOM 0 H THR A 100 -2.522 3.513 -6.504 1.00 0.22 H new ATOM 0 HA THR A 100 -5.426 3.740 -6.087 1.00 0.22 H new ATOM 0 HB THR A 100 -5.679 3.108 -8.515 1.00 0.23 H new ATOM 0 HG1 THR A 100 -3.825 3.591 -9.876 1.00 0.26 H new ATOM 0 HG21 THR A 100 -5.313 5.387 -9.394 1.00 0.24 H new ATOM 0 HG22 THR A 100 -6.062 5.411 -7.780 1.00 0.24 H new ATOM 0 HG23 THR A 100 -4.330 5.773 -7.962 1.00 0.24 H new ATOM 1553 N ALA A 101 -5.581 1.245 -5.958 1.00 0.21 N ATOM 1554 CA ALA A 101 -5.654 -0.196 -5.768 1.00 0.23 C ATOM 1555 C ALA A 101 -6.782 -0.781 -6.605 1.00 0.22 C ATOM 1556 O ALA A 101 -7.893 -0.245 -6.618 1.00 0.23 O ATOM 1557 CB ALA A 101 -5.863 -0.524 -4.297 1.00 0.26 C ATOM 0 H ALA A 101 -6.392 1.756 -5.609 1.00 0.21 H new ATOM 0 HA ALA A 101 -4.713 -0.639 -6.093 1.00 0.23 H new ATOM 0 HB1 ALA A 101 -5.916 -1.605 -4.169 1.00 0.26 H new ATOM 0 HB2 ALA A 101 -5.030 -0.130 -3.714 1.00 0.26 H new ATOM 0 HB3 ALA A 101 -6.793 -0.072 -3.952 1.00 0.26 H new ATOM 1563 N GLU A 102 -6.497 -1.878 -7.297 1.00 0.22 N ATOM 1564 CA GLU A 102 -7.490 -2.531 -8.146 1.00 0.23 C ATOM 1565 C GLU A 102 -7.200 -4.024 -8.266 1.00 0.24 C ATOM 1566 O GLU A 102 -6.145 -4.498 -7.840 1.00 0.26 O ATOM 1567 CB GLU A 102 -7.512 -1.893 -9.537 1.00 0.25 C ATOM 1568 CG GLU A 102 -6.163 -1.911 -10.232 1.00 0.33 C ATOM 1569 CD GLU A 102 -6.020 -0.811 -11.264 1.00 0.56 C ATOM 1570 OE1 GLU A 102 -5.786 0.351 -10.871 1.00 1.38 O ATOM 1571 OE2 GLU A 102 -6.137 -1.106 -12.472 1.00 1.18 O ATOM 0 H GLU A 102 -5.585 -2.336 -7.288 1.00 0.22 H new ATOM 0 HA GLU A 102 -8.468 -2.400 -7.682 1.00 0.23 H new ATOM 0 HB2 GLU A 102 -8.239 -2.418 -10.157 1.00 0.25 H new ATOM 0 HB3 GLU A 102 -7.853 -0.861 -9.450 1.00 0.25 H new ATOM 0 HG2 GLU A 102 -5.374 -1.809 -9.487 1.00 0.33 H new ATOM 0 HG3 GLU A 102 -6.021 -2.877 -10.716 1.00 0.33 H new ATOM 1578 N ILE A 103 -8.131 -4.753 -8.867 1.00 0.27 N ATOM 1579 CA ILE A 103 -7.988 -6.190 -9.035 1.00 0.29 C ATOM 1580 C ILE A 103 -7.796 -6.557 -10.505 1.00 0.31 C ATOM 1581 O ILE A 103 -8.659 -6.288 -11.344 1.00 0.36 O ATOM 1582 CB ILE A 103 -9.218 -6.954 -8.483 1.00 0.31 C ATOM 1583 CG1 ILE A 103 -9.450 -6.637 -6.999 1.00 0.33 C ATOM 1584 CG2 ILE A 103 -9.046 -8.455 -8.684 1.00 0.36 C ATOM 1585 CD1 ILE A 103 -8.323 -7.080 -6.091 1.00 0.37 C ATOM 0 H ILE A 103 -8.996 -4.369 -9.247 1.00 0.27 H new ATOM 0 HA ILE A 103 -7.104 -6.484 -8.469 1.00 0.29 H new ATOM 0 HB ILE A 103 -10.095 -6.623 -9.039 1.00 0.31 H new ATOM 0 HG12 ILE A 103 -9.593 -5.562 -6.886 1.00 0.33 H new ATOM 0 HG13 ILE A 103 -10.373 -7.117 -6.676 1.00 0.33 H new ATOM 0 HG21 ILE A 103 -9.918 -8.977 -8.291 1.00 0.36 H new ATOM 0 HG22 ILE A 103 -8.943 -8.670 -9.748 1.00 0.36 H new ATOM 0 HG23 ILE A 103 -8.153 -8.793 -8.157 1.00 0.36 H new ATOM 0 HD11 ILE A 103 -8.563 -6.820 -5.060 1.00 0.37 H new ATOM 0 HD12 ILE A 103 -8.193 -8.159 -6.172 1.00 0.37 H new ATOM 0 HD13 ILE A 103 -7.400 -6.580 -6.386 1.00 0.37 H new ATOM 1597 N SER A 104 -6.660 -7.165 -10.811 1.00 0.34 N ATOM 1598 CA SER A 104 -6.350 -7.585 -12.166 1.00 0.38 C ATOM 1599 C SER A 104 -6.294 -9.111 -12.270 1.00 0.48 C ATOM 1600 O SER A 104 -5.257 -9.724 -12.023 1.00 0.88 O ATOM 1601 CB SER A 104 -5.023 -6.970 -12.610 1.00 0.55 C ATOM 1602 OG SER A 104 -4.124 -6.862 -11.521 1.00 1.37 O ATOM 0 H SER A 104 -5.932 -7.380 -10.130 1.00 0.34 H new ATOM 0 HA SER A 104 -7.144 -7.234 -12.826 1.00 0.38 H new ATOM 0 HB2 SER A 104 -4.578 -7.583 -13.394 1.00 0.55 H new ATOM 0 HB3 SER A 104 -5.201 -5.984 -13.039 1.00 0.55 H new ATOM 0 HG SER A 104 -3.282 -6.468 -11.830 1.00 1.37 H new ATOM 1608 N GLY A 105 -7.429 -9.715 -12.603 1.00 0.53 N ATOM 1609 CA GLY A 105 -7.486 -11.157 -12.752 1.00 0.64 C ATOM 1610 C GLY A 105 -7.297 -11.906 -11.448 1.00 0.63 C ATOM 1611 O GLY A 105 -6.571 -12.900 -11.395 1.00 0.96 O ATOM 0 H GLY A 105 -8.311 -9.232 -12.772 1.00 0.53 H new ATOM 0 HA2 GLY A 105 -8.448 -11.432 -13.184 1.00 0.64 H new ATOM 0 HA3 GLY A 105 -6.718 -11.472 -13.458 1.00 0.64 H new ATOM 1615 N GLY A 106 -7.948 -11.438 -10.399 1.00 0.49 N ATOM 1616 CA GLY A 106 -7.841 -12.096 -9.113 1.00 0.50 C ATOM 1617 C GLY A 106 -6.596 -11.697 -8.346 1.00 0.44 C ATOM 1618 O GLY A 106 -6.226 -12.349 -7.365 1.00 0.48 O ATOM 0 H GLY A 106 -8.549 -10.614 -10.412 1.00 0.49 H new ATOM 0 HA2 GLY A 106 -8.721 -11.859 -8.515 1.00 0.50 H new ATOM 0 HA3 GLY A 106 -7.839 -13.176 -9.262 1.00 0.50 H new ATOM 1622 N LYS A 107 -5.938 -10.642 -8.792 1.00 0.38 N ATOM 1623 CA LYS A 107 -4.740 -10.167 -8.125 1.00 0.35 C ATOM 1624 C LYS A 107 -4.875 -8.695 -7.785 1.00 0.32 C ATOM 1625 O LYS A 107 -5.445 -7.921 -8.550 1.00 0.33 O ATOM 1626 CB LYS A 107 -3.503 -10.404 -8.992 1.00 0.34 C ATOM 1627 CG LYS A 107 -2.876 -11.773 -8.786 1.00 0.38 C ATOM 1628 CD LYS A 107 -1.899 -12.125 -9.899 1.00 0.66 C ATOM 1629 CE LYS A 107 -1.088 -13.367 -9.554 1.00 0.75 C ATOM 1630 NZ LYS A 107 -0.314 -13.872 -10.718 1.00 1.22 N ATOM 0 H LYS A 107 -6.212 -10.099 -9.611 1.00 0.38 H new ATOM 0 HA LYS A 107 -4.618 -10.730 -7.200 1.00 0.35 H new ATOM 0 HB2 LYS A 107 -3.777 -10.292 -10.041 1.00 0.34 H new ATOM 0 HB3 LYS A 107 -2.761 -9.636 -8.772 1.00 0.34 H new ATOM 0 HG2 LYS A 107 -2.357 -11.794 -7.828 1.00 0.38 H new ATOM 0 HG3 LYS A 107 -3.661 -12.528 -8.740 1.00 0.38 H new ATOM 0 HD2 LYS A 107 -2.447 -12.292 -10.827 1.00 0.66 H new ATOM 0 HD3 LYS A 107 -1.226 -11.286 -10.073 1.00 0.66 H new ATOM 0 HE2 LYS A 107 -0.404 -13.137 -8.737 1.00 0.75 H new ATOM 0 HE3 LYS A 107 -1.758 -14.149 -9.198 1.00 0.75 H new ATOM 0 HZ1 LYS A 107 0.223 -14.718 -10.438 1.00 1.22 H new ATOM 0 HZ2 LYS A 107 -0.967 -14.117 -11.489 1.00 1.22 H new ATOM 0 HZ3 LYS A 107 0.345 -13.136 -11.043 1.00 1.22 H new ATOM 1644 N LEU A 108 -4.356 -8.328 -6.634 1.00 0.30 N ATOM 1645 CA LEU A 108 -4.411 -6.958 -6.165 1.00 0.28 C ATOM 1646 C LEU A 108 -3.154 -6.228 -6.598 1.00 0.27 C ATOM 1647 O LEU A 108 -2.042 -6.665 -6.312 1.00 0.29 O ATOM 1648 CB LEU A 108 -4.547 -6.955 -4.633 1.00 0.29 C ATOM 1649 CG LEU A 108 -4.680 -5.597 -3.933 1.00 0.34 C ATOM 1650 CD1 LEU A 108 -3.318 -4.981 -3.675 1.00 0.82 C ATOM 1651 CD2 LEU A 108 -5.564 -4.646 -4.724 1.00 0.76 C ATOM 0 H LEU A 108 -3.884 -8.969 -5.996 1.00 0.30 H new ATOM 0 HA LEU A 108 -5.273 -6.446 -6.593 1.00 0.28 H new ATOM 0 HB2 LEU A 108 -5.420 -7.554 -4.372 1.00 0.29 H new ATOM 0 HB3 LEU A 108 -3.676 -7.463 -4.218 1.00 0.29 H new ATOM 0 HG LEU A 108 -5.161 -5.771 -2.971 1.00 0.34 H new ATOM 0 HD11 LEU A 108 -3.442 -4.019 -3.178 1.00 0.82 H new ATOM 0 HD12 LEU A 108 -2.733 -5.645 -3.039 1.00 0.82 H new ATOM 0 HD13 LEU A 108 -2.799 -4.836 -4.622 1.00 0.82 H new ATOM 0 HD21 LEU A 108 -5.636 -3.694 -4.198 1.00 0.76 H new ATOM 0 HD22 LEU A 108 -5.132 -4.484 -5.711 1.00 0.76 H new ATOM 0 HD23 LEU A 108 -6.559 -5.078 -4.830 1.00 0.76 H new ATOM 1663 N VAL A 109 -3.329 -5.139 -7.311 1.00 0.28 N ATOM 1664 CA VAL A 109 -2.199 -4.358 -7.763 1.00 0.29 C ATOM 1665 C VAL A 109 -2.335 -2.910 -7.310 1.00 0.29 C ATOM 1666 O VAL A 109 -3.301 -2.222 -7.643 1.00 0.33 O ATOM 1667 CB VAL A 109 -2.028 -4.434 -9.297 1.00 0.30 C ATOM 1668 CG1 VAL A 109 -3.342 -4.151 -10.014 1.00 0.33 C ATOM 1669 CG2 VAL A 109 -0.930 -3.489 -9.769 1.00 0.32 C ATOM 0 H VAL A 109 -4.240 -4.774 -7.590 1.00 0.28 H new ATOM 0 HA VAL A 109 -1.303 -4.784 -7.312 1.00 0.29 H new ATOM 0 HB VAL A 109 -1.728 -5.451 -9.549 1.00 0.30 H new ATOM 0 HG11 VAL A 109 -3.189 -4.212 -11.091 1.00 0.33 H new ATOM 0 HG12 VAL A 109 -4.087 -4.886 -9.711 1.00 0.33 H new ATOM 0 HG13 VAL A 109 -3.691 -3.152 -9.753 1.00 0.33 H new ATOM 0 HG21 VAL A 109 -0.829 -3.561 -10.852 1.00 0.32 H new ATOM 0 HG22 VAL A 109 -1.188 -2.466 -9.496 1.00 0.32 H new ATOM 0 HG23 VAL A 109 0.014 -3.763 -9.297 1.00 0.32 H new ATOM 1679 N GLU A 110 -1.382 -2.469 -6.509 1.00 0.28 N ATOM 1680 CA GLU A 110 -1.383 -1.107 -6.021 1.00 0.30 C ATOM 1681 C GLU A 110 -0.391 -0.283 -6.821 1.00 0.28 C ATOM 1682 O GLU A 110 0.767 -0.673 -6.976 1.00 0.34 O ATOM 1683 CB GLU A 110 -1.030 -1.056 -4.535 1.00 0.34 C ATOM 1684 CG GLU A 110 -1.906 -1.935 -3.664 1.00 0.71 C ATOM 1685 CD GLU A 110 -1.507 -1.880 -2.204 1.00 1.02 C ATOM 1686 OE1 GLU A 110 -2.033 -1.012 -1.474 1.00 1.69 O ATOM 1687 OE2 GLU A 110 -0.662 -2.699 -1.784 1.00 1.45 O ATOM 0 H GLU A 110 -0.599 -3.036 -6.184 1.00 0.28 H new ATOM 0 HA GLU A 110 -2.384 -0.694 -6.143 1.00 0.30 H new ATOM 0 HB2 GLU A 110 0.010 -1.357 -4.408 1.00 0.34 H new ATOM 0 HB3 GLU A 110 -1.108 -0.025 -4.188 1.00 0.34 H new ATOM 0 HG2 GLU A 110 -2.945 -1.623 -3.766 1.00 0.71 H new ATOM 0 HG3 GLU A 110 -1.847 -2.965 -4.016 1.00 0.71 H new ATOM 1694 N ILE A 111 -0.862 0.817 -7.373 1.00 0.26 N ATOM 1695 CA ILE A 111 -0.011 1.704 -8.142 1.00 0.24 C ATOM 1696 C ILE A 111 0.222 2.988 -7.359 1.00 0.25 C ATOM 1697 O ILE A 111 -0.726 3.671 -6.978 1.00 0.30 O ATOM 1698 CB ILE A 111 -0.606 2.042 -9.527 1.00 0.26 C ATOM 1699 CG1 ILE A 111 -0.769 0.783 -10.379 1.00 0.29 C ATOM 1700 CG2 ILE A 111 0.284 3.039 -10.246 1.00 0.29 C ATOM 1701 CD1 ILE A 111 -2.184 0.255 -10.425 1.00 0.37 C ATOM 0 H ILE A 111 -1.834 1.119 -7.303 1.00 0.26 H new ATOM 0 HA ILE A 111 0.932 1.185 -8.313 1.00 0.24 H new ATOM 0 HB ILE A 111 -1.592 2.481 -9.374 1.00 0.26 H new ATOM 0 HG12 ILE A 111 -0.439 0.998 -11.395 1.00 0.29 H new ATOM 0 HG13 ILE A 111 -0.113 0.004 -9.989 1.00 0.29 H new ATOM 0 HG21 ILE A 111 -0.144 3.271 -11.221 1.00 0.29 H new ATOM 0 HG22 ILE A 111 0.358 3.952 -9.656 1.00 0.29 H new ATOM 0 HG23 ILE A 111 1.278 2.611 -10.378 1.00 0.29 H new ATOM 0 HD11 ILE A 111 -2.219 -0.638 -11.048 1.00 0.37 H new ATOM 0 HD12 ILE A 111 -2.513 0.006 -9.416 1.00 0.37 H new ATOM 0 HD13 ILE A 111 -2.843 1.016 -10.844 1.00 0.37 H new ATOM 1713 N SER A 112 1.483 3.297 -7.113 1.00 0.23 N ATOM 1714 CA SER A 112 1.854 4.482 -6.363 1.00 0.24 C ATOM 1715 C SER A 112 2.784 5.366 -7.183 1.00 0.22 C ATOM 1716 O SER A 112 3.938 5.015 -7.433 1.00 0.25 O ATOM 1717 CB SER A 112 2.530 4.075 -5.053 1.00 0.28 C ATOM 1718 OG SER A 112 1.945 2.898 -4.522 1.00 0.37 O ATOM 0 H SER A 112 2.275 2.736 -7.426 1.00 0.23 H new ATOM 0 HA SER A 112 0.952 5.051 -6.138 1.00 0.24 H new ATOM 0 HB2 SER A 112 3.594 3.911 -5.225 1.00 0.28 H new ATOM 0 HB3 SER A 112 2.445 4.886 -4.329 1.00 0.28 H new ATOM 0 HG SER A 112 1.185 3.139 -3.953 1.00 0.37 H new ATOM 1724 N THR A 113 2.274 6.500 -7.628 1.00 0.22 N ATOM 1725 CA THR A 113 3.067 7.430 -8.401 1.00 0.22 C ATOM 1726 C THR A 113 3.655 8.487 -7.480 1.00 0.23 C ATOM 1727 O THR A 113 2.946 9.043 -6.646 1.00 0.26 O ATOM 1728 CB THR A 113 2.227 8.114 -9.491 1.00 0.25 C ATOM 1729 OG1 THR A 113 1.045 7.340 -9.762 1.00 0.27 O ATOM 1730 CG2 THR A 113 3.043 8.272 -10.763 1.00 0.27 C ATOM 0 H THR A 113 1.312 6.797 -7.465 1.00 0.22 H new ATOM 0 HA THR A 113 3.865 6.869 -8.887 1.00 0.22 H new ATOM 0 HB THR A 113 1.933 9.102 -9.136 1.00 0.25 H new ATOM 0 HG1 THR A 113 0.515 7.784 -10.456 1.00 0.27 H new ATOM 0 HG21 THR A 113 2.436 8.758 -11.527 1.00 0.27 H new ATOM 0 HG22 THR A 113 3.923 8.881 -10.557 1.00 0.27 H new ATOM 0 HG23 THR A 113 3.356 7.290 -11.119 1.00 0.27 H new ATOM 1738 N SER A 114 4.947 8.742 -7.608 1.00 0.25 N ATOM 1739 CA SER A 114 5.602 9.733 -6.782 1.00 0.30 C ATOM 1740 C SER A 114 6.790 10.328 -7.516 1.00 0.29 C ATOM 1741 O SER A 114 7.718 9.614 -7.906 1.00 0.30 O ATOM 1742 CB SER A 114 6.054 9.122 -5.452 1.00 0.38 C ATOM 1743 OG SER A 114 6.298 10.134 -4.491 1.00 1.43 O ATOM 0 H SER A 114 5.559 8.275 -8.277 1.00 0.25 H new ATOM 0 HA SER A 114 4.885 10.526 -6.569 1.00 0.30 H new ATOM 0 HB2 SER A 114 5.289 8.439 -5.082 1.00 0.38 H new ATOM 0 HB3 SER A 114 6.959 8.534 -5.606 1.00 0.38 H new ATOM 0 HG SER A 114 5.661 10.867 -4.619 1.00 1.43 H new ATOM 1749 N SER A 115 6.731 11.634 -7.728 1.00 0.37 N ATOM 1750 CA SER A 115 7.793 12.372 -8.399 1.00 0.47 C ATOM 1751 C SER A 115 8.050 11.846 -9.816 1.00 0.47 C ATOM 1752 O SER A 115 9.137 12.018 -10.362 1.00 0.57 O ATOM 1753 CB SER A 115 9.072 12.333 -7.558 1.00 0.54 C ATOM 1754 OG SER A 115 8.775 12.499 -6.178 1.00 0.63 O ATOM 0 H SER A 115 5.944 12.214 -7.439 1.00 0.37 H new ATOM 0 HA SER A 115 7.469 13.408 -8.500 1.00 0.47 H new ATOM 0 HB2 SER A 115 9.585 11.384 -7.712 1.00 0.54 H new ATOM 0 HB3 SER A 115 9.752 13.120 -7.885 1.00 0.54 H new ATOM 0 HG SER A 115 9.606 12.469 -5.659 1.00 0.63 H new ATOM 1760 N GLY A 116 7.041 11.212 -10.408 1.00 0.42 N ATOM 1761 CA GLY A 116 7.179 10.692 -11.755 1.00 0.46 C ATOM 1762 C GLY A 116 7.282 9.181 -11.809 1.00 0.40 C ATOM 1763 O GLY A 116 6.882 8.566 -12.796 1.00 0.46 O ATOM 0 H GLY A 116 6.131 11.050 -9.978 1.00 0.42 H new ATOM 0 HA2 GLY A 116 6.323 11.012 -12.349 1.00 0.46 H new ATOM 0 HA3 GLY A 116 8.067 11.126 -12.215 1.00 0.46 H new ATOM 1767 N VAL A 117 7.810 8.574 -10.760 1.00 0.33 N ATOM 1768 CA VAL A 117 7.971 7.125 -10.732 1.00 0.29 C ATOM 1769 C VAL A 117 6.672 6.415 -10.376 1.00 0.28 C ATOM 1770 O VAL A 117 6.003 6.762 -9.400 1.00 0.29 O ATOM 1771 CB VAL A 117 9.074 6.686 -9.744 1.00 0.30 C ATOM 1772 CG1 VAL A 117 9.089 5.175 -9.573 1.00 0.52 C ATOM 1773 CG2 VAL A 117 10.434 7.168 -10.214 1.00 0.53 C ATOM 0 H VAL A 117 8.133 9.055 -9.921 1.00 0.33 H new ATOM 0 HA VAL A 117 8.266 6.838 -11.741 1.00 0.29 H new ATOM 0 HB VAL A 117 8.852 7.138 -8.777 1.00 0.30 H new ATOM 0 HG11 VAL A 117 9.876 4.896 -8.872 1.00 0.52 H new ATOM 0 HG12 VAL A 117 8.125 4.843 -9.188 1.00 0.52 H new ATOM 0 HG13 VAL A 117 9.277 4.702 -10.537 1.00 0.52 H new ATOM 0 HG21 VAL A 117 11.198 6.849 -9.505 1.00 0.53 H new ATOM 0 HG22 VAL A 117 10.651 6.746 -11.195 1.00 0.53 H new ATOM 0 HG23 VAL A 117 10.432 8.256 -10.280 1.00 0.53 H new ATOM 1783 N VAL A 118 6.318 5.433 -11.186 1.00 0.27 N ATOM 1784 CA VAL A 118 5.124 4.646 -10.962 1.00 0.27 C ATOM 1785 C VAL A 118 5.490 3.303 -10.344 1.00 0.25 C ATOM 1786 O VAL A 118 6.041 2.429 -11.013 1.00 0.29 O ATOM 1787 CB VAL A 118 4.346 4.406 -12.266 1.00 0.29 C ATOM 1788 CG1 VAL A 118 3.112 3.555 -12.009 1.00 0.97 C ATOM 1789 CG2 VAL A 118 3.960 5.729 -12.903 1.00 0.86 C ATOM 0 H VAL A 118 6.849 5.161 -12.013 1.00 0.27 H new ATOM 0 HA VAL A 118 4.486 5.210 -10.281 1.00 0.27 H new ATOM 0 HB VAL A 118 4.993 3.865 -12.957 1.00 0.29 H new ATOM 0 HG11 VAL A 118 2.577 3.398 -12.946 1.00 0.97 H new ATOM 0 HG12 VAL A 118 3.414 2.592 -11.597 1.00 0.97 H new ATOM 0 HG13 VAL A 118 2.460 4.065 -11.300 1.00 0.97 H new ATOM 0 HG21 VAL A 118 3.410 5.542 -13.825 1.00 0.86 H new ATOM 0 HG22 VAL A 118 3.332 6.295 -12.215 1.00 0.86 H new ATOM 0 HG23 VAL A 118 4.860 6.301 -13.127 1.00 0.86 H new ATOM 1799 N TYR A 119 5.194 3.155 -9.070 1.00 0.22 N ATOM 1800 CA TYR A 119 5.485 1.922 -8.353 1.00 0.21 C ATOM 1801 C TYR A 119 4.273 1.003 -8.371 1.00 0.22 C ATOM 1802 O TYR A 119 3.163 1.425 -8.058 1.00 0.29 O ATOM 1803 CB TYR A 119 5.895 2.236 -6.909 1.00 0.22 C ATOM 1804 CG TYR A 119 5.886 1.047 -5.965 1.00 0.21 C ATOM 1805 CD1 TYR A 119 6.659 -0.085 -6.217 1.00 1.17 C ATOM 1806 CD2 TYR A 119 5.107 1.062 -4.814 1.00 1.21 C ATOM 1807 CE1 TYR A 119 6.647 -1.163 -5.352 1.00 1.20 C ATOM 1808 CE2 TYR A 119 5.092 -0.013 -3.945 1.00 1.22 C ATOM 1809 CZ TYR A 119 5.863 -1.124 -4.220 1.00 0.34 C ATOM 1810 OH TYR A 119 5.848 -2.200 -3.358 1.00 0.43 O ATOM 0 H TYR A 119 4.749 3.876 -8.502 1.00 0.22 H new ATOM 0 HA TYR A 119 6.312 1.414 -8.849 1.00 0.21 H new ATOM 0 HB2 TYR A 119 6.896 2.666 -6.917 1.00 0.22 H new ATOM 0 HB3 TYR A 119 5.224 2.999 -6.515 1.00 0.22 H new ATOM 0 HD1 TYR A 119 7.277 -0.120 -7.102 1.00 1.17 H new ATOM 0 HD2 TYR A 119 4.502 1.929 -4.595 1.00 1.21 H new ATOM 0 HE1 TYR A 119 7.251 -2.033 -5.563 1.00 1.20 H new ATOM 0 HE2 TYR A 119 4.480 0.016 -3.056 1.00 1.22 H new ATOM 0 HH TYR A 119 5.997 -1.887 -2.441 1.00 0.43 H new ATOM 1820 N LYS A 120 4.484 -0.239 -8.773 1.00 0.21 N ATOM 1821 CA LYS A 120 3.412 -1.219 -8.815 1.00 0.23 C ATOM 1822 C LYS A 120 3.763 -2.420 -7.961 1.00 0.24 C ATOM 1823 O LYS A 120 4.925 -2.815 -7.875 1.00 0.29 O ATOM 1824 CB LYS A 120 3.158 -1.676 -10.245 1.00 0.28 C ATOM 1825 CG LYS A 120 2.505 -0.619 -11.103 1.00 0.31 C ATOM 1826 CD LYS A 120 2.758 -0.878 -12.573 1.00 0.46 C ATOM 1827 CE LYS A 120 2.272 0.274 -13.429 1.00 0.87 C ATOM 1828 NZ LYS A 120 3.039 0.366 -14.699 1.00 1.17 N ATOM 0 H LYS A 120 5.391 -0.593 -9.076 1.00 0.21 H new ATOM 0 HA LYS A 120 2.509 -0.748 -8.425 1.00 0.23 H new ATOM 0 HB2 LYS A 120 4.105 -1.969 -10.699 1.00 0.28 H new ATOM 0 HB3 LYS A 120 2.525 -2.563 -10.228 1.00 0.28 H new ATOM 0 HG2 LYS A 120 1.432 -0.603 -10.913 1.00 0.31 H new ATOM 0 HG3 LYS A 120 2.891 0.364 -10.832 1.00 0.31 H new ATOM 0 HD2 LYS A 120 3.824 -1.032 -12.739 1.00 0.46 H new ATOM 0 HD3 LYS A 120 2.253 -1.796 -12.875 1.00 0.46 H new ATOM 0 HE2 LYS A 120 1.213 0.143 -13.650 1.00 0.87 H new ATOM 0 HE3 LYS A 120 2.369 1.208 -12.875 1.00 0.87 H new ATOM 0 HZ1 LYS A 120 2.895 1.304 -15.124 1.00 1.17 H new ATOM 0 HZ2 LYS A 120 4.051 0.225 -14.504 1.00 1.17 H new ATOM 0 HZ3 LYS A 120 2.708 -0.367 -15.358 1.00 1.17 H new ATOM 1842 N ARG A 121 2.758 -2.988 -7.327 1.00 0.25 N ATOM 1843 CA ARG A 121 2.943 -4.156 -6.487 1.00 0.28 C ATOM 1844 C ARG A 121 1.757 -5.090 -6.640 1.00 0.28 C ATOM 1845 O ARG A 121 0.623 -4.730 -6.318 1.00 0.34 O ATOM 1846 CB ARG A 121 3.114 -3.748 -5.018 1.00 0.36 C ATOM 1847 CG ARG A 121 2.406 -2.450 -4.660 1.00 0.59 C ATOM 1848 CD ARG A 121 1.967 -2.424 -3.209 1.00 0.84 C ATOM 1849 NE ARG A 121 3.063 -2.711 -2.289 1.00 1.20 N ATOM 1850 CZ ARG A 121 2.882 -3.035 -1.011 1.00 1.59 C ATOM 1851 NH1 ARG A 121 1.652 -3.079 -0.500 1.00 1.88 N ATOM 1852 NH2 ARG A 121 3.935 -3.285 -0.240 1.00 2.48 N ATOM 0 H ARG A 121 1.795 -2.656 -7.378 1.00 0.25 H new ATOM 0 HA ARG A 121 3.849 -4.673 -6.802 1.00 0.28 H new ATOM 0 HB2 ARG A 121 2.734 -4.547 -4.381 1.00 0.36 H new ATOM 0 HB3 ARG A 121 4.177 -3.645 -4.800 1.00 0.36 H new ATOM 0 HG2 ARG A 121 3.072 -1.609 -4.852 1.00 0.59 H new ATOM 0 HG3 ARG A 121 1.536 -2.322 -5.304 1.00 0.59 H new ATOM 0 HD2 ARG A 121 1.549 -1.445 -2.977 1.00 0.84 H new ATOM 0 HD3 ARG A 121 1.171 -3.154 -3.060 1.00 0.84 H new ATOM 0 HE ARG A 121 4.018 -2.661 -2.644 1.00 1.20 H new ATOM 0 HH11 ARG A 121 0.847 -2.864 -1.089 1.00 1.88 H new ATOM 0 HH12 ARG A 121 1.515 -3.328 0.480 1.00 1.88 H new ATOM 0 HH21 ARG A 121 4.876 -3.228 -0.628 1.00 2.48 H new ATOM 0 HH22 ARG A 121 3.802 -3.534 0.740 1.00 2.48 H new ATOM 1866 N THR A 122 2.022 -6.275 -7.155 1.00 0.27 N ATOM 1867 CA THR A 122 0.991 -7.270 -7.357 1.00 0.27 C ATOM 1868 C THR A 122 0.966 -8.245 -6.190 1.00 0.25 C ATOM 1869 O THR A 122 1.990 -8.829 -5.837 1.00 0.29 O ATOM 1870 CB THR A 122 1.232 -8.040 -8.666 1.00 0.31 C ATOM 1871 OG1 THR A 122 1.564 -7.119 -9.715 1.00 0.43 O ATOM 1872 CG2 THR A 122 0.006 -8.851 -9.061 1.00 0.34 C ATOM 0 H THR A 122 2.954 -6.573 -7.443 1.00 0.27 H new ATOM 0 HA THR A 122 0.031 -6.758 -7.420 1.00 0.27 H new ATOM 0 HB THR A 122 2.060 -8.731 -8.508 1.00 0.31 H new ATOM 0 HG1 THR A 122 1.719 -7.613 -10.547 1.00 0.43 H new ATOM 0 HG21 THR A 122 0.207 -9.384 -9.990 1.00 0.34 H new ATOM 0 HG22 THR A 122 -0.225 -9.568 -8.273 1.00 0.34 H new ATOM 0 HG23 THR A 122 -0.843 -8.182 -9.203 1.00 0.34 H new ATOM 1880 N SER A 123 -0.198 -8.403 -5.588 1.00 0.24 N ATOM 1881 CA SER A 123 -0.359 -9.302 -4.469 1.00 0.23 C ATOM 1882 C SER A 123 -1.470 -10.303 -4.761 1.00 0.23 C ATOM 1883 O SER A 123 -2.542 -9.932 -5.238 1.00 0.25 O ATOM 1884 CB SER A 123 -0.672 -8.509 -3.203 1.00 0.25 C ATOM 1885 OG SER A 123 0.221 -7.415 -3.059 1.00 0.38 O ATOM 0 H SER A 123 -1.051 -7.914 -5.861 1.00 0.24 H new ATOM 0 HA SER A 123 0.570 -9.850 -4.314 1.00 0.23 H new ATOM 0 HB2 SER A 123 -1.698 -8.144 -3.242 1.00 0.25 H new ATOM 0 HB3 SER A 123 -0.599 -9.161 -2.333 1.00 0.25 H new ATOM 0 HG SER A 123 0.002 -6.919 -2.243 1.00 0.38 H new ATOM 1891 N LYS A 124 -1.200 -11.572 -4.504 1.00 0.23 N ATOM 1892 CA LYS A 124 -2.180 -12.623 -4.745 1.00 0.25 C ATOM 1893 C LYS A 124 -3.196 -12.689 -3.607 1.00 0.22 C ATOM 1894 O LYS A 124 -2.900 -12.290 -2.481 1.00 0.21 O ATOM 1895 CB LYS A 124 -1.476 -13.972 -4.906 1.00 0.29 C ATOM 1896 CG LYS A 124 -0.650 -14.377 -3.695 1.00 0.31 C ATOM 1897 CD LYS A 124 -0.016 -15.748 -3.882 1.00 0.43 C ATOM 1898 CE LYS A 124 1.118 -15.991 -2.894 1.00 0.61 C ATOM 1899 NZ LYS A 124 2.391 -15.364 -3.343 1.00 1.45 N ATOM 0 H LYS A 124 -0.311 -11.901 -4.128 1.00 0.23 H new ATOM 0 HA LYS A 124 -2.714 -12.390 -5.666 1.00 0.25 H new ATOM 0 HB2 LYS A 124 -2.223 -14.741 -5.099 1.00 0.29 H new ATOM 0 HB3 LYS A 124 -0.827 -13.931 -5.781 1.00 0.29 H new ATOM 0 HG2 LYS A 124 0.130 -13.636 -3.521 1.00 0.31 H new ATOM 0 HG3 LYS A 124 -1.284 -14.387 -2.808 1.00 0.31 H new ATOM 0 HD2 LYS A 124 -0.776 -16.519 -3.758 1.00 0.43 H new ATOM 0 HD3 LYS A 124 0.364 -15.836 -4.900 1.00 0.43 H new ATOM 0 HE2 LYS A 124 0.841 -15.591 -1.918 1.00 0.61 H new ATOM 0 HE3 LYS A 124 1.266 -17.064 -2.769 1.00 0.61 H new ATOM 0 HZ1 LYS A 124 3.176 -16.031 -3.199 1.00 1.45 H new ATOM 0 HZ2 LYS A 124 2.322 -15.123 -4.352 1.00 1.45 H new ATOM 0 HZ3 LYS A 124 2.566 -14.500 -2.792 1.00 1.45 H new ATOM 1913 N LYS A 125 -4.388 -13.184 -3.912 1.00 0.24 N ATOM 1914 CA LYS A 125 -5.447 -13.305 -2.918 1.00 0.23 C ATOM 1915 C LYS A 125 -5.484 -14.724 -2.370 1.00 0.25 C ATOM 1916 O LYS A 125 -5.716 -15.681 -3.102 1.00 0.31 O ATOM 1917 CB LYS A 125 -6.816 -12.951 -3.516 1.00 0.27 C ATOM 1918 CG LYS A 125 -7.745 -12.217 -2.544 1.00 0.29 C ATOM 1919 CD LYS A 125 -7.919 -12.973 -1.236 1.00 0.38 C ATOM 1920 CE LYS A 125 -9.211 -13.775 -1.211 1.00 0.39 C ATOM 1921 NZ LYS A 125 -9.337 -14.598 0.026 1.00 1.45 N ATOM 0 H LYS A 125 -4.647 -13.509 -4.843 1.00 0.24 H new ATOM 0 HA LYS A 125 -5.232 -12.604 -2.112 1.00 0.23 H new ATOM 0 HB2 LYS A 125 -6.666 -12.330 -4.399 1.00 0.27 H new ATOM 0 HB3 LYS A 125 -7.304 -13.867 -3.849 1.00 0.27 H new ATOM 0 HG2 LYS A 125 -7.342 -11.225 -2.338 1.00 0.29 H new ATOM 0 HG3 LYS A 125 -8.719 -12.075 -3.012 1.00 0.29 H new ATOM 0 HD2 LYS A 125 -7.073 -13.644 -1.089 1.00 0.38 H new ATOM 0 HD3 LYS A 125 -7.914 -12.267 -0.405 1.00 0.38 H new ATOM 0 HE2 LYS A 125 -10.060 -13.095 -1.282 1.00 0.39 H new ATOM 0 HE3 LYS A 125 -9.250 -14.426 -2.084 1.00 0.39 H new ATOM 0 HZ1 LYS A 125 -9.738 -15.527 -0.214 1.00 1.45 H new ATOM 0 HZ2 LYS A 125 -8.398 -14.726 0.455 1.00 1.45 H new ATOM 0 HZ3 LYS A 125 -9.963 -14.115 0.702 1.00 1.45 H new ATOM 1935 N ILE A 126 -5.260 -14.839 -1.081 1.00 0.24 N ATOM 1936 CA ILE A 126 -5.262 -16.120 -0.403 1.00 0.28 C ATOM 1937 C ILE A 126 -6.066 -15.989 0.877 1.00 0.30 C ATOM 1938 O ILE A 126 -6.479 -14.883 1.235 1.00 0.28 O ATOM 1939 CB ILE A 126 -3.836 -16.627 -0.063 1.00 0.29 C ATOM 1940 CG1 ILE A 126 -2.764 -15.873 -0.856 1.00 0.28 C ATOM 1941 CG2 ILE A 126 -3.724 -18.120 -0.333 1.00 0.35 C ATOM 1942 CD1 ILE A 126 -2.279 -14.613 -0.176 1.00 0.27 C ATOM 0 H ILE A 126 -5.070 -14.045 -0.469 1.00 0.24 H new ATOM 0 HA ILE A 126 -5.706 -16.851 -1.079 1.00 0.28 H new ATOM 0 HB ILE A 126 -3.667 -16.439 0.997 1.00 0.29 H new ATOM 0 HG12 ILE A 126 -1.915 -16.535 -1.022 1.00 0.28 H new ATOM 0 HG13 ILE A 126 -3.164 -15.615 -1.837 1.00 0.28 H new ATOM 0 HG21 ILE A 126 -2.717 -18.459 -0.089 1.00 0.35 H new ATOM 0 HG22 ILE A 126 -4.447 -18.656 0.282 1.00 0.35 H new ATOM 0 HG23 ILE A 126 -3.928 -18.316 -1.386 1.00 0.35 H new ATOM 0 HD11 ILE A 126 -1.522 -14.133 -0.796 1.00 0.27 H new ATOM 0 HD12 ILE A 126 -3.117 -13.931 -0.034 1.00 0.27 H new ATOM 0 HD13 ILE A 126 -1.848 -14.865 0.793 1.00 0.27 H new ATOM 1954 N ALA A 127 -6.378 -17.105 1.515 1.00 0.38 N ATOM 1955 CA ALA A 127 -7.115 -17.068 2.768 1.00 0.44 C ATOM 1956 C ALA A 127 -6.533 -18.075 3.752 1.00 0.67 C ATOM 1957 O ALA A 127 -5.551 -17.733 4.440 1.00 1.27 O ATOM 1958 CB ALA A 127 -8.598 -17.321 2.534 1.00 0.46 C ATOM 0 H ALA A 127 -6.135 -18.041 1.190 1.00 0.38 H new ATOM 0 HA ALA A 127 -7.015 -16.072 3.200 1.00 0.44 H new ATOM 0 HB1 ALA A 127 -9.127 -17.288 3.486 1.00 0.46 H new ATOM 0 HB2 ALA A 127 -8.998 -16.554 1.870 1.00 0.46 H new ATOM 0 HB3 ALA A 127 -8.732 -18.302 2.078 1.00 0.46 H new TER 1964 ALA A 127 HETATM 1965 C1 CHO A 200 6.413 -0.184 -0.293 1.00 0.35 C HETATM 1966 C2 CHO A 200 5.008 -0.225 0.312 1.00 0.40 C HETATM 1967 C3 CHO A 200 4.305 1.121 0.122 1.00 0.45 C HETATM 1968 O3 CHO A 200 3.016 1.070 0.738 1.00 0.51 O HETATM 1969 C4 CHO A 200 5.133 2.225 0.784 1.00 0.41 C HETATM 1970 C5 CHO A 200 6.535 2.266 0.171 1.00 0.37 C HETATM 1971 C6 CHO A 200 7.335 3.399 0.819 1.00 0.37 C HETATM 1972 C7 CHO A 200 7.520 3.109 2.310 1.00 0.33 C HETATM 1973 O7 CHO A 200 6.242 3.075 2.952 1.00 0.37 O HETATM 1974 C8 CHO A 200 8.220 1.764 2.512 1.00 0.25 C HETATM 1975 C9 CHO A 200 7.424 0.638 1.844 1.00 0.27 C HETATM 1976 C10 CHO A 200 7.250 0.923 0.351 1.00 0.31 C HETATM 1977 C11 CHO A 200 8.109 -0.714 2.073 1.00 0.25 C HETATM 1978 C12 CHO A 200 8.310 -0.996 3.564 1.00 0.23 C HETATM 1979 C13 CHO A 200 9.122 0.145 4.184 1.00 0.21 C HETATM 1980 C14 CHO A 200 8.353 1.451 4.003 1.00 0.23 C HETATM 1981 C15 CHO A 200 9.252 2.404 4.788 1.00 0.25 C HETATM 1982 C16 CHO A 200 9.560 1.596 6.053 1.00 0.24 C HETATM 1983 C17 CHO A 200 9.178 0.151 5.713 1.00 0.23 C HETATM 1984 C18 CHO A 200 10.518 0.253 3.569 1.00 0.22 C HETATM 1985 C19 CHO A 200 8.623 0.983 -0.324 1.00 0.32 C HETATM 1986 C20 CHO A 200 10.170 -0.863 6.288 1.00 0.27 C HETATM 1987 C21 CHO A 200 9.795 -2.284 5.864 1.00 0.31 C HETATM 1988 C22 CHO A 200 10.203 -0.756 7.814 1.00 0.34 C HETATM 1989 C23 CHO A 200 11.206 -1.746 8.407 1.00 0.41 C HETATM 1990 C24 CHO A 200 11.241 -1.643 9.934 1.00 0.54 C HETATM 1991 O24 CHO A 200 10.955 -0.592 10.504 1.00 0.86 O HETATM 1992 N25 CHO A 200 11.600 -2.761 10.560 1.00 0.47 N HETATM 1993 C26 CHO A 200 11.686 -2.843 12.025 1.00 0.58 C HETATM 1994 C27 CHO A 200 12.598 -1.734 12.551 1.00 1.20 C HETATM 1995 OT1 CHO A 200 12.137 -0.997 13.448 1.00 2.01 O HETATM 1996 OT2 CHO A 200 13.745 -1.650 12.059 1.00 1.99 O HETATM 0 H262 CHO A 200 10.692 -2.748 12.463 1.00 0.58 H new HETATM 0 H261 CHO A 200 12.074 -3.817 12.322 1.00 0.58 H new HETATM 0 H232 CHO A 200 10.938 -2.761 8.113 1.00 0.41 H new HETATM 0 H231 CHO A 200 12.199 -1.549 8.003 1.00 0.41 H new HETATM 0 H222 CHO A 200 10.472 0.259 8.106 1.00 0.34 H new HETATM 0 H221 CHO A 200 9.210 -0.952 8.218 1.00 0.34 H new HETATM 0 H213 CHO A 200 8.796 -2.521 6.230 1.00 0.31 H new HETATM 0 H212 CHO A 200 9.809 -2.355 4.776 1.00 0.31 H new HETATM 0 H211 CHO A 200 10.512 -2.990 6.283 1.00 0.31 H new HETATM 0 H193 CHO A 200 9.131 0.026 -0.202 1.00 0.32 H new HETATM 0 H192 CHO A 200 8.497 1.194 -1.386 1.00 0.32 H new HETATM 0 H191 CHO A 200 9.220 1.772 0.134 1.00 0.32 H new HETATM 0 H183 CHO A 200 11.060 -0.678 3.732 1.00 0.22 H new HETATM 0 H182 CHO A 200 10.431 0.440 2.499 1.00 0.22 H new HETATM 0 H181 CHO A 200 11.059 1.075 4.038 1.00 0.22 H new HETATM 0 H162 CHO A 200 10.614 1.672 6.321 1.00 0.24 H new HETATM 0 H161 CHO A 200 8.987 1.964 6.904 1.00 0.24 H new HETATM 0 H152 CHO A 200 10.158 2.656 4.236 1.00 0.25 H new HETATM 0 H151 CHO A 200 8.747 3.342 5.018 1.00 0.25 H new HETATM 0 H122 CHO A 200 7.345 -1.086 4.063 1.00 0.23 H new HETATM 0 H121 CHO A 200 8.829 -1.945 3.701 1.00 0.23 H new HETATM 0 H112 CHO A 200 7.508 -1.507 1.629 1.00 0.25 H new HETATM 0 H111 CHO A 200 9.074 -0.724 1.566 1.00 0.25 H new HETATM 0 HOT CHO A 200 14.142 -0.787 12.300 1.00 1.99 H new HETATM 0 HO7 CHO A 200 6.267 3.629 3.760 1.00 0.37 H new HETATM 0 HO3 CHO A 200 2.563 1.931 0.620 1.00 0.51 H new HETATM 0 HN CHO A 200 11.823 -3.588 10.005 1.00 0.47 H new HETATM 0 H9 CHO A 200 6.434 0.593 2.297 1.00 0.27 H new HETATM 0 H8 CHO A 200 9.209 1.831 2.060 1.00 0.25 H new HETATM 0 H7 CHO A 200 8.135 3.897 2.745 1.00 0.33 H new HETATM 0 H62 CHO A 200 8.306 3.496 0.334 1.00 0.37 H new HETATM 0 H61 CHO A 200 6.816 4.348 0.684 1.00 0.37 H new HETATM 0 H5 CHO A 200 6.452 2.452 -0.900 1.00 0.37 H new HETATM 0 H42 CHO A 200 4.641 3.189 0.652 1.00 0.41 H new HETATM 0 H41 CHO A 200 5.201 2.046 1.857 1.00 0.41 H new HETATM 0 H3 CHO A 200 4.199 1.330 -0.942 1.00 0.45 H new HETATM 0 H22 CHO A 200 4.425 -1.016 -0.159 1.00 0.40 H new HETATM 0 H21 CHO A 200 5.069 -0.464 1.374 1.00 0.40 H new HETATM 0 H20 CHO A 200 11.162 -0.639 5.896 1.00 0.27 H new HETATM 0 H17 CHO A 200 8.230 -0.153 6.156 1.00 0.23 H new HETATM 0 H14 CHO A 200 7.322 1.479 4.354 1.00 0.23 H new HETATM 0 H12 CHO A 200 6.904 -1.147 -0.150 1.00 0.35 H new HETATM 0 H11 CHO A 200 6.346 -0.017 -1.368 1.00 0.35 H new HETATM 2039 C1 CHO A 201 -5.141 4.316 0.016 1.00 0.22 C HETATM 2040 C2 CHO A 201 -4.890 3.045 -0.798 1.00 0.26 C HETATM 2041 C3 CHO A 201 -5.382 1.816 -0.031 1.00 0.29 C HETATM 2042 O3 CHO A 201 -5.110 0.643 -0.802 1.00 0.35 O HETATM 2043 C4 CHO A 201 -4.652 1.724 1.310 1.00 0.29 C HETATM 2044 C5 CHO A 201 -4.915 2.993 2.124 1.00 0.25 C HETATM 2045 C6 CHO A 201 -4.230 2.885 3.487 1.00 0.28 C HETATM 2046 C7 CHO A 201 -2.712 2.842 3.301 1.00 0.27 C HETATM 2047 O7 CHO A 201 -2.352 1.657 2.586 1.00 0.30 O HETATM 2048 C8 CHO A 201 -2.227 4.068 2.525 1.00 0.21 C HETATM 2049 C9 CHO A 201 -2.918 4.139 1.161 1.00 0.21 C HETATM 2050 C10 CHO A 201 -4.431 4.233 1.369 1.00 0.21 C HETATM 2051 C11 CHO A 201 -2.410 5.334 0.349 1.00 0.21 C HETATM 2052 C12 CHO A 201 -0.883 5.333 0.214 1.00 0.22 C HETATM 2053 C13 CHO A 201 -0.272 5.295 1.616 1.00 0.20 C HETATM 2054 C14 CHO A 201 -0.716 4.010 2.306 1.00 0.23 C HETATM 2055 C15 CHO A 201 0.131 4.105 3.572 1.00 0.26 C HETATM 2056 C16 CHO A 201 1.511 4.317 2.944 1.00 0.27 C HETATM 2057 C17 CHO A 201 1.247 5.122 1.665 1.00 0.24 C HETATM 2058 C18 CHO A 201 -0.720 6.501 2.442 1.00 0.19 C HETATM 2059 C19 CHO A 201 -4.750 5.486 2.190 1.00 0.22 C HETATM 2060 C20 CHO A 201 1.974 6.469 1.686 1.00 0.24 C HETATM 2061 C21 CHO A 201 1.593 7.326 0.478 1.00 0.27 C HETATM 2062 C22 CHO A 201 3.488 6.260 1.751 1.00 0.28 C HETATM 2063 C23 CHO A 201 4.234 7.595 1.801 1.00 0.32 C HETATM 2064 C24 CHO A 201 5.742 7.382 1.954 1.00 0.37 C HETATM 2065 O24 CHO A 201 6.540 7.954 1.212 1.00 0.67 O HETATM 2066 N25 CHO A 201 6.095 6.554 2.932 1.00 0.31 N HETATM 2067 C26 CHO A 201 7.501 6.237 3.223 1.00 0.33 C HETATM 2068 C27 CHO A 201 7.658 5.920 4.712 1.00 0.50 C HETATM 2069 OT1 CHO A 201 7.125 4.872 5.132 1.00 1.23 O HETATM 2070 OT2 CHO A 201 8.303 6.738 5.405 1.00 1.08 O HETATM 0 H262 CHO A 201 7.824 5.386 2.624 1.00 0.33 H new HETATM 0 H261 CHO A 201 8.138 7.079 2.951 1.00 0.33 H new HETATM 0 H232 CHO A 201 4.035 8.160 0.891 1.00 0.32 H new HETATM 0 H231 CHO A 201 3.862 8.191 2.634 1.00 0.32 H new HETATM 0 H222 CHO A 201 3.738 5.669 2.632 1.00 0.28 H new HETATM 0 H221 CHO A 201 3.816 5.691 0.881 1.00 0.28 H new HETATM 0 H213 CHO A 201 1.862 6.802 -0.439 1.00 0.27 H new HETATM 0 H212 CHO A 201 0.519 7.512 0.488 1.00 0.27 H new HETATM 0 H211 CHO A 201 2.126 8.276 0.523 1.00 0.27 H new HETATM 0 H193 CHO A 201 -4.406 6.370 1.653 1.00 0.22 H new HETATM 0 H192 CHO A 201 -5.826 5.553 2.348 1.00 0.22 H new HETATM 0 H191 CHO A 201 -4.245 5.428 3.154 1.00 0.22 H new HETATM 0 H183 CHO A 201 -0.402 7.419 1.947 1.00 0.19 H new HETATM 0 H182 CHO A 201 -1.806 6.496 2.534 1.00 0.19 H new HETATM 0 H181 CHO A 201 -0.271 6.449 3.434 1.00 0.19 H new HETATM 0 H162 CHO A 201 2.173 4.857 3.620 1.00 0.27 H new HETATM 0 H161 CHO A 201 1.992 3.365 2.719 1.00 0.27 H new HETATM 0 H152 CHO A 201 -0.168 4.934 4.214 1.00 0.26 H new HETATM 0 H151 CHO A 201 0.082 3.200 4.177 1.00 0.26 H new HETATM 0 H122 CHO A 201 -0.555 4.470 -0.366 1.00 0.22 H new HETATM 0 H121 CHO A 201 -0.549 6.222 -0.321 1.00 0.22 H new HETATM 0 H112 CHO A 201 -2.861 5.315 -0.643 1.00 0.21 H new HETATM 0 H111 CHO A 201 -2.730 6.259 0.828 1.00 0.21 H new HETATM 0 HOT CHO A 201 9.215 6.405 5.540 1.00 1.08 H new HETATM 0 HO7 CHO A 201 -1.456 1.370 2.859 1.00 0.30 H new HETATM 0 HO3 CHO A 201 -4.758 -0.059 -0.216 1.00 0.35 H new HETATM 0 HN CHO A 201 5.365 6.124 3.500 1.00 0.31 H new HETATM 0 H9 CHO A 201 -2.684 3.236 0.597 1.00 0.21 H new HETATM 0 H8 CHO A 201 -2.473 4.952 3.113 1.00 0.21 H new HETATM 0 H7 CHO A 201 -2.242 2.841 4.284 1.00 0.27 H new HETATM 0 H62 CHO A 201 -4.505 3.735 4.111 1.00 0.28 H new HETATM 0 H61 CHO A 201 -4.568 1.987 4.004 1.00 0.28 H new HETATM 0 H5 CHO A 201 -5.989 3.096 2.278 1.00 0.25 H new HETATM 0 H42 CHO A 201 -4.993 0.848 1.862 1.00 0.29 H new HETATM 0 H41 CHO A 201 -3.582 1.600 1.145 1.00 0.29 H new HETATM 0 H3 CHO A 201 -6.454 1.900 0.147 1.00 0.29 H new HETATM 0 H22 CHO A 201 -5.403 3.112 -1.757 1.00 0.26 H new HETATM 0 H21 CHO A 201 -3.826 2.946 -1.012 1.00 0.26 H new HETATM 0 H20 CHO A 201 1.661 7.006 2.582 1.00 0.24 H new HETATM 0 H17 CHO A 201 1.623 4.613 0.778 1.00 0.24 H new HETATM 0 H14 CHO A 201 -0.573 3.064 1.784 1.00 0.23 H new HETATM 0 H12 CHO A 201 -4.784 5.185 -0.536 1.00 0.22 H new HETATM 0 H11 CHO A 201 -6.212 4.452 0.168 1.00 0.22 H new