USER MOD reduce.3.24.130724 H: found=0, std=0, add=1035, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 1035 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 161:sc= 1.11 (180deg=0.563) USER MOD Single : A 3 LYS NZ :NH3+ 163:sc= 1.2 (180deg=0.87) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0362 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -2.55! K(o=-2.6!,f=-1.7) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.213 X(o=-0.21,f=-0.36) USER MOD Single : A 24 GLN : amide:sc= 0.984 K(o=0.98,f=-4.3!) USER MOD Single : A 26 GLN : amide:sc= -0.238 X(o=-0.24,f=-0.28) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0228 USER MOD Single : A 32 GLN : amide:sc= -1.47 K(o=-1.5,f=-6.5!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.0572 X(o=-0.057,f=0) USER MOD Single : A 50 THR OG1 : rot -130:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -1.25! C(o=-1.2!,f=-8!) USER MOD Single : A 60 HIS : no HD1:sc=-0.00621 X(o=-0.0062,f=0) USER MOD Single : A 63 ASN : amide:sc= -0.206 K(o=-0.21,f=-5.8!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -81:sc= -0.725! USER MOD Single : A 72 SER OG : rot 107:sc= 1.28 USER MOD Single : A 77 GLN : amide:sc= -1.35! K(o=-1.4!,f=-0.24) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 HIS : no HE2:sc= -1.18! C(o=-1.2!,f=-4.9!) USER MOD Single : A 113 CYS SG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.012 -5.003 17.896 1.00 0.00 N ATOM 2 CA MET A 1 10.120 -5.984 17.906 1.00 52.33 C ATOM 3 C MET A 1 9.679 -7.276 17.232 1.00 40.15 C ATOM 4 O MET A 1 10.096 -7.573 16.114 1.00 21.11 O ATOM 5 CB MET A 1 10.580 -6.274 19.341 1.00 61.11 C ATOM 6 CG MET A 1 11.246 -5.097 20.039 1.00 52.32 C ATOM 7 SD MET A 1 10.136 -3.694 20.271 1.00 63.32 S ATOM 8 CE MET A 1 11.200 -2.575 21.178 1.00 31.23 C ATOM 0 H1 MET A 1 9.189 -4.272 18.614 1.00 0.00 H new ATOM 0 H2 MET A 1 8.950 -4.559 16.958 1.00 0.00 H new ATOM 0 H3 MET A 1 8.117 -5.488 18.110 1.00 0.00 H new ATOM 0 HA MET A 1 10.959 -5.559 17.355 1.00 52.33 H new ATOM 0 HB2 MET A 1 9.718 -6.589 19.929 1.00 61.11 H new ATOM 0 HB3 MET A 1 11.277 -7.112 19.324 1.00 61.11 H new ATOM 0 HG2 MET A 1 11.620 -5.422 21.010 1.00 52.32 H new ATOM 0 HG3 MET A 1 12.110 -4.777 19.456 1.00 52.32 H new ATOM 0 HE1 MET A 1 10.658 -1.656 21.399 1.00 31.23 H new ATOM 0 HE2 MET A 1 11.512 -3.045 22.111 1.00 31.23 H new ATOM 0 HE3 MET A 1 12.079 -2.342 20.578 1.00 31.23 H new ATOM 20 N VAL A 2 8.826 -8.036 17.910 1.00 74.45 N ATOM 21 CA VAL A 2 8.311 -9.286 17.360 1.00 31.04 C ATOM 22 C VAL A 2 6.787 -9.286 17.389 1.00 54.42 C ATOM 23 O VAL A 2 6.130 -9.521 16.372 1.00 5.43 O ATOM 24 CB VAL A 2 8.828 -10.512 18.146 1.00 4.53 C ATOM 25 CG1 VAL A 2 8.323 -11.810 17.532 1.00 1.22 C ATOM 26 CG2 VAL A 2 10.346 -10.511 18.210 1.00 65.30 C ATOM 0 H VAL A 2 8.476 -7.809 18.841 1.00 74.45 H new ATOM 0 HA VAL A 2 8.666 -9.358 16.332 1.00 31.04 H new ATOM 0 HB VAL A 2 8.439 -10.443 19.162 1.00 4.53 H new ATOM 0 HG11 VAL A 2 8.703 -12.656 18.106 1.00 1.22 H new ATOM 0 HG12 VAL A 2 7.233 -11.820 17.548 1.00 1.22 H new ATOM 0 HG13 VAL A 2 8.671 -11.885 16.502 1.00 1.22 H new ATOM 0 HG21 VAL A 2 10.687 -11.383 18.768 1.00 65.30 H new ATOM 0 HG22 VAL A 2 10.753 -10.545 17.199 1.00 65.30 H new ATOM 0 HG23 VAL A 2 10.689 -9.604 18.709 1.00 65.30 H new ATOM 36 N LYS A 3 6.233 -9.013 18.561 1.00 34.44 N ATOM 37 CA LYS A 3 4.794 -8.980 18.736 1.00 41.23 C ATOM 38 C LYS A 3 4.254 -7.607 18.347 1.00 5.15 C ATOM 39 O LYS A 3 4.696 -6.585 18.875 1.00 32.32 O ATOM 40 CB LYS A 3 4.442 -9.321 20.187 1.00 50.23 C ATOM 41 CG LYS A 3 2.962 -9.573 20.426 1.00 3.14 C ATOM 42 CD LYS A 3 2.727 -10.276 21.755 1.00 75.11 C ATOM 43 CE LYS A 3 3.062 -9.390 22.949 1.00 75.31 C ATOM 44 NZ LYS A 3 2.083 -8.285 23.118 1.00 12.41 N ATOM 0 H LYS A 3 6.764 -8.810 19.408 1.00 34.44 H new ATOM 0 HA LYS A 3 4.330 -9.723 18.087 1.00 41.23 H new ATOM 0 HB2 LYS A 3 5.003 -10.206 20.487 1.00 50.23 H new ATOM 0 HB3 LYS A 3 4.769 -8.504 20.830 1.00 50.23 H new ATOM 0 HG2 LYS A 3 2.423 -8.626 20.413 1.00 3.14 H new ATOM 0 HG3 LYS A 3 2.559 -10.180 19.615 1.00 3.14 H new ATOM 0 HD2 LYS A 3 1.684 -10.588 21.819 1.00 75.11 H new ATOM 0 HD3 LYS A 3 3.333 -11.181 21.796 1.00 75.11 H new ATOM 0 HE2 LYS A 3 3.084 -9.996 23.855 1.00 75.31 H new ATOM 0 HE3 LYS A 3 4.061 -8.972 22.821 1.00 75.31 H new ATOM 0 HZ1 LYS A 3 2.168 -7.889 24.076 1.00 12.41 H new ATOM 0 HZ2 LYS A 3 2.275 -7.541 22.418 1.00 12.41 H new ATOM 0 HZ3 LYS A 3 1.119 -8.651 22.979 1.00 12.41 H new ATOM 58 N LEU A 4 3.305 -7.595 17.417 1.00 30.10 N ATOM 59 CA LEU A 4 2.753 -6.349 16.886 1.00 43.33 C ATOM 60 C LEU A 4 1.836 -5.674 17.898 1.00 74.40 C ATOM 61 O LEU A 4 1.546 -4.483 17.790 1.00 4.12 O ATOM 62 CB LEU A 4 1.988 -6.603 15.580 1.00 63.22 C ATOM 63 CG LEU A 4 2.845 -6.729 14.311 1.00 75.20 C ATOM 64 CD1 LEU A 4 3.685 -5.479 14.110 1.00 44.34 C ATOM 65 CD2 LEU A 4 3.726 -7.967 14.361 1.00 1.10 C ATOM 0 H LEU A 4 2.899 -8.438 17.012 1.00 30.10 H new ATOM 0 HA LEU A 4 3.591 -5.683 16.681 1.00 43.33 H new ATOM 0 HB2 LEU A 4 1.407 -7.518 15.695 1.00 63.22 H new ATOM 0 HB3 LEU A 4 1.277 -5.790 15.435 1.00 63.22 H new ATOM 0 HG LEU A 4 2.172 -6.835 13.460 1.00 75.20 H new ATOM 0 HD11 LEU A 4 4.286 -5.586 13.207 1.00 44.34 H new ATOM 0 HD12 LEU A 4 3.031 -4.613 14.010 1.00 44.34 H new ATOM 0 HD13 LEU A 4 4.342 -5.340 14.968 1.00 44.34 H new ATOM 0 HD21 LEU A 4 4.320 -8.028 13.449 1.00 1.10 H new ATOM 0 HD22 LEU A 4 4.390 -7.906 15.223 1.00 1.10 H new ATOM 0 HD23 LEU A 4 3.100 -8.856 14.447 1.00 1.10 H new ATOM 77 N ALA A 5 1.374 -6.437 18.874 1.00 71.44 N ATOM 78 CA ALA A 5 0.537 -5.888 19.924 1.00 24.03 C ATOM 79 C ALA A 5 1.398 -5.223 20.989 1.00 63.30 C ATOM 80 O ALA A 5 1.931 -5.890 21.877 1.00 24.34 O ATOM 81 CB ALA A 5 -0.341 -6.970 20.535 1.00 15.54 C ATOM 0 H ALA A 5 1.564 -7.435 18.960 1.00 71.44 H new ATOM 0 HA ALA A 5 -0.117 -5.133 19.488 1.00 24.03 H new ATOM 0 HB1 ALA A 5 -0.960 -6.536 21.320 1.00 15.54 H new ATOM 0 HB2 ALA A 5 -0.981 -7.398 19.763 1.00 15.54 H new ATOM 0 HB3 ALA A 5 0.288 -7.752 20.960 1.00 15.54 H new ATOM 87 N PHE A 6 1.563 -3.915 20.865 1.00 23.33 N ATOM 88 CA PHE A 6 2.337 -3.141 21.827 1.00 31.41 C ATOM 89 C PHE A 6 1.443 -2.647 22.958 1.00 13.42 C ATOM 90 O PHE A 6 0.253 -2.409 22.756 1.00 41.45 O ATOM 91 CB PHE A 6 3.010 -1.948 21.140 1.00 14.25 C ATOM 92 CG PHE A 6 4.119 -2.332 20.203 1.00 22.41 C ATOM 93 CD1 PHE A 6 3.854 -2.640 18.879 1.00 53.53 C ATOM 94 CD2 PHE A 6 5.431 -2.380 20.647 1.00 64.31 C ATOM 95 CE1 PHE A 6 4.873 -2.991 18.017 1.00 71.41 C ATOM 96 CE2 PHE A 6 6.456 -2.728 19.788 1.00 63.54 C ATOM 97 CZ PHE A 6 6.176 -3.034 18.472 1.00 34.14 C ATOM 0 H PHE A 6 1.169 -3.363 20.103 1.00 23.33 H new ATOM 0 HA PHE A 6 3.108 -3.790 22.243 1.00 31.41 H new ATOM 0 HB2 PHE A 6 2.257 -1.388 20.586 1.00 14.25 H new ATOM 0 HB3 PHE A 6 3.407 -1.279 21.903 1.00 14.25 H new ATOM 0 HD1 PHE A 6 2.837 -2.605 18.517 1.00 53.53 H new ATOM 0 HD2 PHE A 6 5.655 -2.143 21.677 1.00 64.31 H new ATOM 0 HE1 PHE A 6 4.652 -3.232 16.988 1.00 71.41 H new ATOM 0 HE2 PHE A 6 7.474 -2.760 20.146 1.00 63.54 H new ATOM 0 HZ PHE A 6 6.975 -3.307 17.799 1.00 34.14 H new ATOM 107 N PRO A 7 2.008 -2.467 24.162 1.00 65.33 N ATOM 108 CA PRO A 7 1.261 -1.996 25.337 1.00 51.42 C ATOM 109 C PRO A 7 0.855 -0.523 25.235 1.00 22.32 C ATOM 110 O PRO A 7 0.338 0.061 26.189 1.00 21.42 O ATOM 111 CB PRO A 7 2.244 -2.194 26.503 1.00 14.13 C ATOM 112 CG PRO A 7 3.360 -3.022 25.956 1.00 71.30 C ATOM 113 CD PRO A 7 3.417 -2.725 24.489 1.00 55.04 C ATOM 0 HA PRO A 7 0.324 -2.541 25.452 1.00 51.42 H new ATOM 0 HB2 PRO A 7 2.612 -1.236 26.872 1.00 14.13 H new ATOM 0 HB3 PRO A 7 1.760 -2.694 27.342 1.00 14.13 H new ATOM 0 HG2 PRO A 7 4.304 -2.773 26.441 1.00 71.30 H new ATOM 0 HG3 PRO A 7 3.181 -4.083 26.132 1.00 71.30 H new ATOM 0 HD2 PRO A 7 4.048 -1.863 24.274 1.00 55.04 H new ATOM 0 HD3 PRO A 7 3.819 -3.564 23.920 1.00 55.04 H new ATOM 121 N ARG A 8 1.069 0.070 24.066 1.00 10.24 N ATOM 122 CA ARG A 8 0.725 1.468 23.841 1.00 30.00 C ATOM 123 C ARG A 8 -0.773 1.640 23.608 1.00 22.12 C ATOM 124 O ARG A 8 -1.243 2.744 23.344 1.00 43.21 O ATOM 125 CB ARG A 8 1.507 2.038 22.659 1.00 2.23 C ATOM 126 CG ARG A 8 1.301 1.283 21.357 1.00 71.30 C ATOM 127 CD ARG A 8 2.072 1.929 20.220 1.00 33.31 C ATOM 128 NE ARG A 8 3.506 2.003 20.497 1.00 13.43 N ATOM 129 CZ ARG A 8 4.300 2.974 20.046 1.00 15.10 C ATOM 130 NH1 ARG A 8 3.783 4.008 19.389 1.00 43.42 N ATOM 131 NH2 ARG A 8 5.603 2.928 20.285 1.00 12.04 N ATOM 0 H ARG A 8 1.480 -0.397 23.258 1.00 10.24 H new ATOM 0 HA ARG A 8 0.997 2.020 24.741 1.00 30.00 H new ATOM 0 HB2 ARG A 8 1.217 3.078 22.513 1.00 2.23 H new ATOM 0 HB3 ARG A 8 2.569 2.035 22.904 1.00 2.23 H new ATOM 0 HG2 ARG A 8 1.624 0.249 21.478 1.00 71.30 H new ATOM 0 HG3 ARG A 8 0.239 1.258 21.112 1.00 71.30 H new ATOM 0 HD2 ARG A 8 1.909 1.361 19.304 1.00 33.31 H new ATOM 0 HD3 ARG A 8 1.685 2.933 20.045 1.00 33.31 H new ATOM 0 HE ARG A 8 3.923 1.269 21.069 1.00 13.43 H new ATOM 0 HH11 ARG A 8 2.777 4.059 19.229 1.00 43.42 H new ATOM 0 HH12 ARG A 8 4.393 4.750 19.045 1.00 43.42 H new ATOM 0 HH21 ARG A 8 5.997 2.150 20.814 1.00 12.04 H new ATOM 0 HH22 ARG A 8 6.211 3.671 19.940 1.00 12.04 H new ATOM 145 N GLU A 9 -1.518 0.544 23.704 1.00 52.52 N ATOM 146 CA GLU A 9 -2.973 0.604 23.628 1.00 23.41 C ATOM 147 C GLU A 9 -3.534 1.255 24.890 1.00 71.23 C ATOM 148 O GLU A 9 -4.688 1.681 24.929 1.00 43.51 O ATOM 149 CB GLU A 9 -3.570 -0.792 23.435 1.00 31.42 C ATOM 150 CG GLU A 9 -3.124 -1.807 24.476 1.00 42.15 C ATOM 151 CD GLU A 9 -3.869 -3.119 24.359 1.00 20.11 C ATOM 152 OE1 GLU A 9 -3.495 -3.947 23.502 1.00 41.15 O ATOM 153 OE2 GLU A 9 -4.830 -3.332 25.129 1.00 33.51 O ATOM 0 H GLU A 9 -1.140 -0.394 23.834 1.00 52.52 H new ATOM 0 HA GLU A 9 -3.249 1.209 22.764 1.00 23.41 H new ATOM 0 HB2 GLU A 9 -4.657 -0.717 23.459 1.00 31.42 H new ATOM 0 HB3 GLU A 9 -3.297 -1.159 22.445 1.00 31.42 H new ATOM 0 HG2 GLU A 9 -2.055 -1.989 24.368 1.00 42.15 H new ATOM 0 HG3 GLU A 9 -3.278 -1.393 25.472 1.00 42.15 H new ATOM 160 N LEU A 10 -2.697 1.326 25.921 1.00 33.21 N ATOM 161 CA LEU A 10 -3.046 2.019 27.155 1.00 60.30 C ATOM 162 C LEU A 10 -2.708 3.502 27.038 1.00 5.34 C ATOM 163 O LEU A 10 -2.891 4.268 27.982 1.00 12.45 O ATOM 164 CB LEU A 10 -2.306 1.421 28.361 1.00 31.12 C ATOM 165 CG LEU A 10 -2.794 0.049 28.846 1.00 1.21 C ATOM 166 CD1 LEU A 10 -2.390 -1.056 27.883 1.00 55.25 C ATOM 167 CD2 LEU A 10 -2.252 -0.238 30.237 1.00 72.44 C ATOM 0 H LEU A 10 -1.766 0.909 25.925 1.00 33.21 H new ATOM 0 HA LEU A 10 -4.118 1.897 27.312 1.00 60.30 H new ATOM 0 HB2 LEU A 10 -1.249 1.338 28.107 1.00 31.12 H new ATOM 0 HB3 LEU A 10 -2.380 2.124 29.191 1.00 31.12 H new ATOM 0 HG LEU A 10 -3.883 0.074 28.886 1.00 1.21 H new ATOM 0 HD11 LEU A 10 -2.751 -2.014 28.256 1.00 55.25 H new ATOM 0 HD12 LEU A 10 -2.825 -0.861 26.903 1.00 55.25 H new ATOM 0 HD13 LEU A 10 -1.304 -1.086 27.798 1.00 55.25 H new ATOM 0 HD21 LEU A 10 -2.605 -1.214 30.571 1.00 72.44 H new ATOM 0 HD22 LEU A 10 -1.162 -0.236 30.211 1.00 72.44 H new ATOM 0 HD23 LEU A 10 -2.600 0.529 30.929 1.00 72.44 H new ATOM 179 N ARG A 11 -2.221 3.898 25.870 1.00 5.10 N ATOM 180 CA ARG A 11 -1.812 5.272 25.625 1.00 53.31 C ATOM 181 C ARG A 11 -2.735 5.907 24.593 1.00 62.20 C ATOM 182 O ARG A 11 -3.241 5.221 23.705 1.00 30.33 O ATOM 183 CB ARG A 11 -0.354 5.294 25.141 1.00 32.21 C ATOM 184 CG ARG A 11 0.254 6.683 25.011 1.00 64.54 C ATOM 185 CD ARG A 11 0.137 7.473 26.304 1.00 54.32 C ATOM 186 NE ARG A 11 0.487 6.678 27.480 1.00 0.24 N ATOM 187 CZ ARG A 11 -0.026 6.891 28.693 1.00 21.22 C ATOM 188 NH1 ARG A 11 -0.852 7.909 28.894 1.00 3.22 N ATOM 189 NH2 ARG A 11 0.288 6.093 29.703 1.00 71.04 N ATOM 0 H ARG A 11 -2.099 3.278 25.069 1.00 5.10 H new ATOM 0 HA ARG A 11 -1.881 5.847 26.548 1.00 53.31 H new ATOM 0 HB2 ARG A 11 0.253 4.710 25.833 1.00 32.21 H new ATOM 0 HB3 ARG A 11 -0.300 4.797 24.173 1.00 32.21 H new ATOM 0 HG2 ARG A 11 1.304 6.596 24.732 1.00 64.54 H new ATOM 0 HG3 ARG A 11 -0.245 7.225 24.208 1.00 64.54 H new ATOM 0 HD2 ARG A 11 0.788 8.346 26.253 1.00 54.32 H new ATOM 0 HD3 ARG A 11 -0.883 7.842 26.409 1.00 54.32 H new ATOM 0 HE ARG A 11 1.160 5.920 27.367 1.00 0.24 H new ATOM 0 HH11 ARG A 11 -1.095 8.529 28.121 1.00 3.22 H new ATOM 0 HH12 ARG A 11 -1.244 8.072 29.821 1.00 3.22 H new ATOM 0 HH21 ARG A 11 0.925 5.310 29.556 1.00 71.04 H new ATOM 0 HH22 ARG A 11 -0.108 6.261 30.628 1.00 71.04 H new ATOM 203 N LEU A 12 -2.968 7.207 24.723 1.00 13.31 N ATOM 204 CA LEU A 12 -3.856 7.916 23.815 1.00 11.32 C ATOM 205 C LEU A 12 -3.276 7.952 22.405 1.00 53.51 C ATOM 206 O LEU A 12 -2.345 8.710 22.120 1.00 31.12 O ATOM 207 CB LEU A 12 -4.114 9.341 24.313 1.00 61.23 C ATOM 208 CG LEU A 12 -4.721 9.442 25.713 1.00 33.32 C ATOM 209 CD1 LEU A 12 -4.966 10.897 26.082 1.00 41.03 C ATOM 210 CD2 LEU A 12 -6.013 8.646 25.795 1.00 42.52 C ATOM 0 H LEU A 12 -2.553 7.791 25.449 1.00 13.31 H new ATOM 0 HA LEU A 12 -4.804 7.378 23.786 1.00 11.32 H new ATOM 0 HB2 LEU A 12 -3.172 9.888 24.303 1.00 61.23 H new ATOM 0 HB3 LEU A 12 -4.780 9.840 23.609 1.00 61.23 H new ATOM 0 HG LEU A 12 -4.013 9.019 26.426 1.00 33.32 H new ATOM 0 HD11 LEU A 12 -5.398 10.951 27.081 1.00 41.03 H new ATOM 0 HD12 LEU A 12 -4.021 11.441 26.065 1.00 41.03 H new ATOM 0 HD13 LEU A 12 -5.654 11.343 25.364 1.00 41.03 H new ATOM 0 HD21 LEU A 12 -6.429 8.730 26.799 1.00 42.52 H new ATOM 0 HD22 LEU A 12 -6.728 9.037 25.071 1.00 42.52 H new ATOM 0 HD23 LEU A 12 -5.810 7.598 25.574 1.00 42.52 H new ATOM 222 N LEU A 13 -3.811 7.109 21.537 1.00 61.50 N ATOM 223 CA LEU A 13 -3.391 7.074 20.145 1.00 74.13 C ATOM 224 C LEU A 13 -4.206 8.071 19.327 1.00 1.21 C ATOM 225 O LEU A 13 -5.306 8.458 19.724 1.00 54.10 O ATOM 226 CB LEU A 13 -3.543 5.661 19.554 1.00 51.24 C ATOM 227 CG LEU A 13 -4.983 5.147 19.384 1.00 2.20 C ATOM 228 CD1 LEU A 13 -5.003 3.936 18.467 1.00 74.42 C ATOM 229 CD2 LEU A 13 -5.605 4.788 20.729 1.00 64.54 C ATOM 0 H LEU A 13 -4.541 6.436 21.773 1.00 61.50 H new ATOM 0 HA LEU A 13 -2.337 7.349 20.103 1.00 74.13 H new ATOM 0 HB2 LEU A 13 -3.056 5.643 18.579 1.00 51.24 H new ATOM 0 HB3 LEU A 13 -3.003 4.962 20.193 1.00 51.24 H new ATOM 0 HG LEU A 13 -5.573 5.948 18.938 1.00 2.20 H new ATOM 0 HD11 LEU A 13 -6.028 3.582 18.355 1.00 74.42 H new ATOM 0 HD12 LEU A 13 -4.606 4.212 17.490 1.00 74.42 H new ATOM 0 HD13 LEU A 13 -4.390 3.144 18.897 1.00 74.42 H new ATOM 0 HD21 LEU A 13 -6.622 4.428 20.575 1.00 64.54 H new ATOM 0 HD22 LEU A 13 -5.013 4.008 21.207 1.00 64.54 H new ATOM 0 HD23 LEU A 13 -5.625 5.671 21.368 1.00 64.54 H new ATOM 241 N THR A 14 -3.667 8.486 18.193 1.00 73.44 N ATOM 242 CA THR A 14 -4.355 9.427 17.327 1.00 34.24 C ATOM 243 C THR A 14 -5.220 8.698 16.302 1.00 35.42 C ATOM 244 O THR A 14 -4.856 7.621 15.827 1.00 33.41 O ATOM 245 CB THR A 14 -3.353 10.343 16.601 1.00 63.43 C ATOM 246 OG1 THR A 14 -2.229 9.579 16.145 1.00 23.53 O ATOM 247 CG2 THR A 14 -2.882 11.462 17.516 1.00 11.32 C ATOM 0 H THR A 14 -2.754 8.186 17.851 1.00 73.44 H new ATOM 0 HA THR A 14 -4.999 10.039 17.958 1.00 34.24 H new ATOM 0 HB THR A 14 -3.856 10.788 15.743 1.00 63.43 H new ATOM 0 HG1 THR A 14 -1.598 10.169 15.683 1.00 23.53 H new ATOM 0 HG21 THR A 14 -2.175 12.096 16.981 1.00 11.32 H new ATOM 0 HG22 THR A 14 -3.738 12.059 17.831 1.00 11.32 H new ATOM 0 HG23 THR A 14 -2.395 11.035 18.393 1.00 11.32 H new ATOM 255 N PRO A 15 -6.390 9.266 15.959 1.00 31.44 N ATOM 256 CA PRO A 15 -7.291 8.700 14.953 1.00 3.15 C ATOM 257 C PRO A 15 -6.820 8.984 13.526 1.00 31.24 C ATOM 258 O PRO A 15 -7.527 8.698 12.556 1.00 11.52 O ATOM 259 CB PRO A 15 -8.633 9.404 15.217 1.00 4.14 C ATOM 260 CG PRO A 15 -8.427 10.248 16.436 1.00 53.04 C ATOM 261 CD PRO A 15 -6.951 10.488 16.544 1.00 61.20 C ATOM 0 HA PRO A 15 -7.345 7.614 15.032 1.00 3.15 H new ATOM 0 HB2 PRO A 15 -8.926 10.016 14.364 1.00 4.14 H new ATOM 0 HB3 PRO A 15 -9.430 8.677 15.376 1.00 4.14 H new ATOM 0 HG2 PRO A 15 -8.968 11.190 16.351 1.00 53.04 H new ATOM 0 HG3 PRO A 15 -8.804 9.743 17.325 1.00 53.04 H new ATOM 0 HD2 PRO A 15 -6.643 11.379 15.997 1.00 61.20 H new ATOM 0 HD3 PRO A 15 -6.636 10.625 17.579 1.00 61.20 H new ATOM 269 N SER A 16 -5.632 9.557 13.406 1.00 14.34 N ATOM 270 CA SER A 16 -5.049 9.851 12.109 1.00 71.24 C ATOM 271 C SER A 16 -4.451 8.582 11.509 1.00 31.21 C ATOM 272 O SER A 16 -3.324 8.207 11.829 1.00 31.04 O ATOM 273 CB SER A 16 -3.973 10.929 12.255 1.00 64.44 C ATOM 274 OG SER A 16 -4.484 12.058 12.943 1.00 51.34 O ATOM 0 H SER A 16 -5.050 9.829 14.199 1.00 14.34 H new ATOM 0 HA SER A 16 -5.827 10.221 11.441 1.00 71.24 H new ATOM 0 HB2 SER A 16 -3.117 10.525 12.795 1.00 64.44 H new ATOM 0 HB3 SER A 16 -3.615 11.229 11.270 1.00 64.44 H new ATOM 0 HG SER A 16 -3.781 12.735 13.028 1.00 51.34 H new ATOM 280 N GLN A 17 -5.221 7.918 10.653 1.00 50.35 N ATOM 281 CA GLN A 17 -4.794 6.659 10.055 1.00 14.33 C ATOM 282 C GLN A 17 -3.545 6.853 9.198 1.00 72.20 C ATOM 283 O GLN A 17 -2.672 5.990 9.173 1.00 41.04 O ATOM 284 CB GLN A 17 -5.943 6.028 9.246 1.00 1.41 C ATOM 285 CG GLN A 17 -6.555 6.945 8.192 1.00 13.11 C ATOM 286 CD GLN A 17 -5.792 6.952 6.878 1.00 35.32 C ATOM 287 OE1 GLN A 17 -5.720 7.973 6.197 1.00 32.22 O ATOM 288 NE2 GLN A 17 -5.265 5.803 6.486 1.00 13.50 N ATOM 0 H GLN A 17 -6.145 8.232 10.358 1.00 50.35 H new ATOM 0 HA GLN A 17 -4.532 5.969 10.857 1.00 14.33 H new ATOM 0 HB2 GLN A 17 -5.573 5.128 8.755 1.00 1.41 H new ATOM 0 HB3 GLN A 17 -6.727 5.715 9.936 1.00 1.41 H new ATOM 0 HG2 GLN A 17 -7.583 6.635 8.004 1.00 13.11 H new ATOM 0 HG3 GLN A 17 -6.595 7.961 8.585 1.00 13.11 H new ATOM 0 HE21 GLN A 17 -5.345 4.977 7.079 1.00 13.50 H new ATOM 0 HE22 GLN A 17 -4.779 5.744 5.591 1.00 13.50 H new ATOM 297 N PHE A 18 -3.448 8.003 8.534 1.00 33.14 N ATOM 298 CA PHE A 18 -2.300 8.305 7.686 1.00 73.14 C ATOM 299 C PHE A 18 -1.027 8.369 8.523 1.00 31.52 C ATOM 300 O PHE A 18 0.029 7.890 8.113 1.00 50.34 O ATOM 301 CB PHE A 18 -2.515 9.629 6.946 1.00 24.21 C ATOM 302 CG PHE A 18 -1.403 9.979 5.993 1.00 22.05 C ATOM 303 CD1 PHE A 18 -1.319 9.365 4.753 1.00 44.41 C ATOM 304 CD2 PHE A 18 -0.439 10.914 6.341 1.00 43.43 C ATOM 305 CE1 PHE A 18 -0.296 9.677 3.878 1.00 54.42 C ATOM 306 CE2 PHE A 18 0.587 11.227 5.470 1.00 32.14 C ATOM 307 CZ PHE A 18 0.659 10.608 4.237 1.00 11.14 C ATOM 0 H PHE A 18 -4.152 8.741 8.568 1.00 33.14 H new ATOM 0 HA PHE A 18 -2.195 7.509 6.949 1.00 73.14 H new ATOM 0 HB2 PHE A 18 -3.453 9.577 6.393 1.00 24.21 H new ATOM 0 HB3 PHE A 18 -2.620 10.430 7.677 1.00 24.21 H new ATOM 0 HD1 PHE A 18 -2.062 8.635 4.468 1.00 44.41 H new ATOM 0 HD2 PHE A 18 -0.491 11.402 7.303 1.00 43.43 H new ATOM 0 HE1 PHE A 18 -0.243 9.193 2.914 1.00 54.42 H new ATOM 0 HE2 PHE A 18 1.332 11.955 5.753 1.00 32.14 H new ATOM 0 HZ PHE A 18 1.460 10.852 3.555 1.00 11.14 H new ATOM 317 N THR A 19 -1.138 8.959 9.699 1.00 34.43 N ATOM 318 CA THR A 19 -0.021 9.030 10.619 1.00 62.42 C ATOM 319 C THR A 19 0.243 7.656 11.229 1.00 62.23 C ATOM 320 O THR A 19 1.384 7.202 11.289 1.00 2.21 O ATOM 321 CB THR A 19 -0.296 10.050 11.741 1.00 5.35 C ATOM 322 OG1 THR A 19 -0.716 11.296 11.168 1.00 42.22 O ATOM 323 CG2 THR A 19 0.945 10.272 12.595 1.00 3.50 C ATOM 0 H THR A 19 -1.994 9.397 10.039 1.00 34.43 H new ATOM 0 HA THR A 19 0.857 9.355 10.062 1.00 62.42 H new ATOM 0 HB THR A 19 -1.085 9.653 12.379 1.00 5.35 H new ATOM 0 HG1 THR A 19 -0.892 11.942 11.883 1.00 42.22 H new ATOM 0 HG21 THR A 19 0.723 10.996 13.379 1.00 3.50 H new ATOM 0 HG22 THR A 19 1.248 9.328 13.048 1.00 3.50 H new ATOM 0 HG23 THR A 19 1.754 10.651 11.970 1.00 3.50 H new ATOM 331 N PHE A 20 -0.832 6.990 11.638 1.00 0.54 N ATOM 332 CA PHE A 20 -0.747 5.699 12.313 1.00 34.35 C ATOM 333 C PHE A 20 -0.033 4.662 11.446 1.00 13.01 C ATOM 334 O PHE A 20 0.823 3.920 11.934 1.00 1.31 O ATOM 335 CB PHE A 20 -2.154 5.216 12.683 1.00 64.12 C ATOM 336 CG PHE A 20 -2.179 3.993 13.557 1.00 5.22 C ATOM 337 CD1 PHE A 20 -1.509 3.976 14.770 1.00 13.11 C ATOM 338 CD2 PHE A 20 -2.889 2.870 13.171 1.00 74.41 C ATOM 339 CE1 PHE A 20 -1.544 2.856 15.580 1.00 72.20 C ATOM 340 CE2 PHE A 20 -2.927 1.747 13.974 1.00 20.12 C ATOM 341 CZ PHE A 20 -2.253 1.740 15.180 1.00 24.13 C ATOM 0 H PHE A 20 -1.786 7.329 11.511 1.00 0.54 H new ATOM 0 HA PHE A 20 -0.160 5.825 13.223 1.00 34.35 H new ATOM 0 HB2 PHE A 20 -2.680 6.023 13.193 1.00 64.12 H new ATOM 0 HB3 PHE A 20 -2.705 5.005 11.767 1.00 64.12 H new ATOM 0 HD1 PHE A 20 -0.954 4.847 15.086 1.00 13.11 H new ATOM 0 HD2 PHE A 20 -3.420 2.872 12.230 1.00 74.41 H new ATOM 0 HE1 PHE A 20 -1.018 2.854 16.523 1.00 72.20 H new ATOM 0 HE2 PHE A 20 -3.483 0.876 13.660 1.00 20.12 H new ATOM 0 HZ PHE A 20 -2.280 0.863 15.809 1.00 24.13 H new ATOM 351 N VAL A 21 -0.376 4.615 10.163 1.00 4.03 N ATOM 352 CA VAL A 21 0.261 3.678 9.243 1.00 2.14 C ATOM 353 C VAL A 21 1.714 4.070 8.985 1.00 72.13 C ATOM 354 O VAL A 21 2.587 3.213 8.910 1.00 21.15 O ATOM 355 CB VAL A 21 -0.502 3.571 7.897 1.00 41.22 C ATOM 356 CG1 VAL A 21 -0.559 4.911 7.184 1.00 71.54 C ATOM 357 CG2 VAL A 21 0.131 2.521 6.996 1.00 54.01 C ATOM 0 H VAL A 21 -1.087 5.210 9.738 1.00 4.03 H new ATOM 0 HA VAL A 21 0.234 2.699 9.722 1.00 2.14 H new ATOM 0 HB VAL A 21 -1.523 3.265 8.124 1.00 41.22 H new ATOM 0 HG11 VAL A 21 -1.100 4.800 6.244 1.00 71.54 H new ATOM 0 HG12 VAL A 21 -1.071 5.637 7.815 1.00 71.54 H new ATOM 0 HG13 VAL A 21 0.454 5.258 6.980 1.00 71.54 H new ATOM 0 HG21 VAL A 21 -0.422 2.465 6.058 1.00 54.01 H new ATOM 0 HG22 VAL A 21 1.166 2.794 6.791 1.00 54.01 H new ATOM 0 HG23 VAL A 21 0.103 1.551 7.492 1.00 54.01 H new ATOM 367 N PHE A 22 1.971 5.369 8.895 1.00 21.24 N ATOM 368 CA PHE A 22 3.294 5.867 8.547 1.00 51.13 C ATOM 369 C PHE A 22 4.278 5.689 9.704 1.00 41.15 C ATOM 370 O PHE A 22 5.493 5.681 9.501 1.00 70.43 O ATOM 371 CB PHE A 22 3.205 7.342 8.144 1.00 13.14 C ATOM 372 CG PHE A 22 4.422 7.854 7.427 1.00 3.42 C ATOM 373 CD1 PHE A 22 4.654 7.515 6.103 1.00 64.41 C ATOM 374 CD2 PHE A 22 5.330 8.677 8.072 1.00 71.51 C ATOM 375 CE1 PHE A 22 5.769 7.985 5.437 1.00 62.12 C ATOM 376 CE2 PHE A 22 6.447 9.151 7.411 1.00 22.11 C ATOM 377 CZ PHE A 22 6.666 8.805 6.093 1.00 11.11 C ATOM 0 H PHE A 22 1.277 6.098 9.059 1.00 21.24 H new ATOM 0 HA PHE A 22 3.666 5.286 7.703 1.00 51.13 H new ATOM 0 HB2 PHE A 22 2.334 7.481 7.504 1.00 13.14 H new ATOM 0 HB3 PHE A 22 3.043 7.943 9.039 1.00 13.14 H new ATOM 0 HD1 PHE A 22 3.954 6.875 5.586 1.00 64.41 H new ATOM 0 HD2 PHE A 22 5.163 8.951 9.103 1.00 71.51 H new ATOM 0 HE1 PHE A 22 5.939 7.712 4.406 1.00 62.12 H new ATOM 0 HE2 PHE A 22 7.148 9.792 7.925 1.00 22.11 H new ATOM 0 HZ PHE A 22 7.538 9.175 5.575 1.00 11.11 H new ATOM 387 N GLN A 23 3.754 5.550 10.919 1.00 31.12 N ATOM 388 CA GLN A 23 4.599 5.343 12.091 1.00 22.14 C ATOM 389 C GLN A 23 5.230 3.957 12.063 1.00 64.02 C ATOM 390 O GLN A 23 6.438 3.814 12.256 1.00 4.32 O ATOM 391 CB GLN A 23 3.805 5.526 13.387 1.00 65.43 C ATOM 392 CG GLN A 23 3.298 6.941 13.604 1.00 24.14 C ATOM 393 CD GLN A 23 4.397 7.982 13.507 1.00 10.05 C ATOM 394 OE1 GLN A 23 4.666 8.520 12.431 1.00 73.23 O ATOM 395 NE2 GLN A 23 5.044 8.269 14.627 1.00 3.44 N ATOM 0 H GLN A 23 2.754 5.577 11.117 1.00 31.12 H new ATOM 0 HA GLN A 23 5.389 6.093 12.062 1.00 22.14 H new ATOM 0 HB2 GLN A 23 2.955 4.843 13.380 1.00 65.43 H new ATOM 0 HB3 GLN A 23 4.435 5.243 14.230 1.00 65.43 H new ATOM 0 HG2 GLN A 23 2.528 7.163 12.865 1.00 24.14 H new ATOM 0 HG3 GLN A 23 2.827 7.007 14.585 1.00 24.14 H new ATOM 0 HE21 GLN A 23 4.790 7.801 15.497 1.00 3.44 H new ATOM 0 HE22 GLN A 23 5.796 8.958 14.619 1.00 3.44 H new ATOM 404 N GLN A 24 4.413 2.941 11.813 1.00 42.40 N ATOM 405 CA GLN A 24 4.903 1.568 11.762 1.00 51.32 C ATOM 406 C GLN A 24 4.245 0.794 10.619 1.00 35.11 C ATOM 407 O GLN A 24 3.277 0.052 10.822 1.00 32.53 O ATOM 408 CB GLN A 24 4.657 0.853 13.094 1.00 42.02 C ATOM 409 CG GLN A 24 5.251 -0.547 13.156 1.00 45.03 C ATOM 410 CD GLN A 24 4.860 -1.290 14.417 1.00 51.25 C ATOM 411 OE1 GLN A 24 3.841 -1.984 14.455 1.00 54.55 O ATOM 412 NE2 GLN A 24 5.660 -1.147 15.459 1.00 63.10 N ATOM 0 H GLN A 24 3.412 3.040 11.643 1.00 42.40 H new ATOM 0 HA GLN A 24 5.977 1.605 11.580 1.00 51.32 H new ATOM 0 HB2 GLN A 24 5.078 1.453 13.901 1.00 42.02 H new ATOM 0 HB3 GLN A 24 3.583 0.791 13.270 1.00 42.02 H new ATOM 0 HG2 GLN A 24 4.922 -1.116 12.287 1.00 45.03 H new ATOM 0 HG3 GLN A 24 6.337 -0.480 13.100 1.00 45.03 H new ATOM 0 HE21 GLN A 24 6.493 -0.564 15.386 1.00 63.10 H new ATOM 0 HE22 GLN A 24 5.444 -1.620 16.336 1.00 63.10 H new ATOM 421 N PRO A 25 4.729 0.992 9.391 1.00 21.33 N ATOM 422 CA PRO A 25 4.248 0.279 8.226 1.00 24.11 C ATOM 423 C PRO A 25 5.147 -0.897 7.844 1.00 54.42 C ATOM 424 O PRO A 25 6.363 -0.747 7.708 1.00 24.21 O ATOM 425 CB PRO A 25 4.302 1.365 7.159 1.00 75.13 C ATOM 426 CG PRO A 25 5.441 2.260 7.558 1.00 14.41 C ATOM 427 CD PRO A 25 5.757 1.969 9.012 1.00 13.33 C ATOM 0 HA PRO A 25 3.266 -0.169 8.376 1.00 24.11 H new ATOM 0 HB2 PRO A 25 4.467 0.937 6.170 1.00 75.13 H new ATOM 0 HB3 PRO A 25 3.364 1.919 7.114 1.00 75.13 H new ATOM 0 HG2 PRO A 25 6.313 2.074 6.931 1.00 14.41 H new ATOM 0 HG3 PRO A 25 5.171 3.308 7.426 1.00 14.41 H new ATOM 0 HD2 PRO A 25 6.762 1.563 9.132 1.00 13.33 H new ATOM 0 HD3 PRO A 25 5.702 2.869 9.624 1.00 13.33 H new ATOM 435 N GLN A 26 4.558 -2.072 7.682 1.00 73.33 N ATOM 436 CA GLN A 26 5.313 -3.225 7.217 1.00 40.04 C ATOM 437 C GLN A 26 5.533 -3.116 5.715 1.00 62.31 C ATOM 438 O GLN A 26 4.600 -3.280 4.924 1.00 24.04 O ATOM 439 CB GLN A 26 4.602 -4.533 7.563 1.00 61.45 C ATOM 440 CG GLN A 26 4.414 -4.744 9.056 1.00 72.11 C ATOM 441 CD GLN A 26 5.707 -4.601 9.842 1.00 65.24 C ATOM 442 OE1 GLN A 26 6.050 -3.513 10.302 1.00 44.41 O ATOM 443 NE2 GLN A 26 6.436 -5.692 9.997 1.00 70.10 N ATOM 0 H GLN A 26 3.570 -2.251 7.863 1.00 73.33 H new ATOM 0 HA GLN A 26 6.278 -3.235 7.724 1.00 40.04 H new ATOM 0 HB2 GLN A 26 3.627 -4.547 7.076 1.00 61.45 H new ATOM 0 HB3 GLN A 26 5.173 -5.367 7.155 1.00 61.45 H new ATOM 0 HG2 GLN A 26 3.686 -4.024 9.430 1.00 72.11 H new ATOM 0 HG3 GLN A 26 3.998 -5.737 9.228 1.00 72.11 H new ATOM 0 HE21 GLN A 26 6.120 -6.577 9.601 1.00 70.10 H new ATOM 0 HE22 GLN A 26 7.315 -5.649 10.512 1.00 70.10 H new ATOM 452 N ARG A 27 6.764 -2.810 5.334 1.00 42.24 N ATOM 453 CA ARG A 27 7.099 -2.559 3.941 1.00 51.24 C ATOM 454 C ARG A 27 7.211 -3.869 3.170 1.00 31.32 C ATOM 455 O ARG A 27 8.083 -4.693 3.447 1.00 75.10 O ATOM 456 CB ARG A 27 8.412 -1.768 3.856 1.00 12.33 C ATOM 457 CG ARG A 27 8.622 -1.039 2.534 1.00 40.00 C ATOM 458 CD ARG A 27 9.033 -1.972 1.405 1.00 62.21 C ATOM 459 NE ARG A 27 10.371 -2.521 1.610 1.00 63.23 N ATOM 460 CZ ARG A 27 11.273 -2.671 0.641 1.00 15.24 C ATOM 461 NH1 ARG A 27 10.969 -2.375 -0.618 1.00 62.20 N ATOM 462 NH2 ARG A 27 12.475 -3.137 0.930 1.00 62.12 N ATOM 0 H ARG A 27 7.553 -2.729 5.976 1.00 42.24 H new ATOM 0 HA ARG A 27 6.302 -1.969 3.488 1.00 51.24 H new ATOM 0 HB2 ARG A 27 8.437 -1.040 4.667 1.00 12.33 H new ATOM 0 HB3 ARG A 27 9.245 -2.452 4.016 1.00 12.33 H new ATOM 0 HG2 ARG A 27 7.701 -0.525 2.258 1.00 40.00 H new ATOM 0 HG3 ARG A 27 9.387 -0.274 2.664 1.00 40.00 H new ATOM 0 HD2 ARG A 27 8.314 -2.788 1.329 1.00 62.21 H new ATOM 0 HD3 ARG A 27 9.004 -1.432 0.459 1.00 62.21 H new ATOM 0 HE ARG A 27 10.631 -2.807 2.554 1.00 63.23 H new ATOM 0 HH11 ARG A 27 10.038 -2.029 -0.850 1.00 62.20 H new ATOM 0 HH12 ARG A 27 11.667 -2.493 -1.352 1.00 62.20 H new ATOM 0 HH21 ARG A 27 12.710 -3.381 1.892 1.00 62.12 H new ATOM 0 HH22 ARG A 27 13.168 -3.253 0.191 1.00 62.12 H new ATOM 476 N ALA A 28 6.313 -4.053 2.213 1.00 35.41 N ATOM 477 CA ALA A 28 6.353 -5.208 1.333 1.00 5.10 C ATOM 478 C ALA A 28 5.815 -4.838 -0.043 1.00 61.21 C ATOM 479 O ALA A 28 4.602 -4.736 -0.240 1.00 65.35 O ATOM 480 CB ALA A 28 5.569 -6.369 1.925 1.00 62.55 C ATOM 0 H ALA A 28 5.543 -3.411 2.027 1.00 35.41 H new ATOM 0 HA ALA A 28 7.390 -5.526 1.227 1.00 5.10 H new ATOM 0 HB1 ALA A 28 5.614 -7.222 1.247 1.00 62.55 H new ATOM 0 HB2 ALA A 28 6.000 -6.647 2.887 1.00 62.55 H new ATOM 0 HB3 ALA A 28 4.530 -6.072 2.066 1.00 62.55 H new ATOM 486 N GLY A 29 6.725 -4.615 -0.979 1.00 54.12 N ATOM 487 CA GLY A 29 6.344 -4.223 -2.320 1.00 65.22 C ATOM 488 C GLY A 29 7.542 -3.805 -3.146 1.00 41.51 C ATOM 489 O GLY A 29 8.668 -3.785 -2.646 1.00 33.31 O ATOM 0 H GLY A 29 7.731 -4.700 -0.831 1.00 54.12 H new ATOM 0 HA2 GLY A 29 5.836 -5.053 -2.811 1.00 65.22 H new ATOM 0 HA3 GLY A 29 5.632 -3.399 -2.269 1.00 65.22 H new ATOM 493 N THR A 30 7.297 -3.472 -4.404 1.00 40.13 N ATOM 494 CA THR A 30 8.351 -3.061 -5.320 1.00 10.35 C ATOM 495 C THR A 30 8.969 -1.733 -4.861 1.00 74.42 C ATOM 496 O THR A 30 8.261 -0.845 -4.399 1.00 55.23 O ATOM 497 CB THR A 30 7.776 -2.907 -6.744 1.00 32.35 C ATOM 498 OG1 THR A 30 6.807 -3.938 -6.984 1.00 74.23 O ATOM 499 CG2 THR A 30 8.869 -2.996 -7.799 1.00 73.41 C ATOM 0 H THR A 30 6.365 -3.479 -4.818 1.00 40.13 H new ATOM 0 HA THR A 30 9.128 -3.825 -5.326 1.00 10.35 H new ATOM 0 HB THR A 30 7.310 -1.924 -6.814 1.00 32.35 H new ATOM 0 HG1 THR A 30 6.441 -3.839 -7.888 1.00 74.23 H new ATOM 0 HG21 THR A 30 8.429 -2.883 -8.790 1.00 73.41 H new ATOM 0 HG22 THR A 30 9.599 -2.204 -7.634 1.00 73.41 H new ATOM 0 HG23 THR A 30 9.363 -3.965 -7.730 1.00 73.41 H new ATOM 507 N PRO A 31 10.298 -1.583 -4.977 1.00 32.31 N ATOM 508 CA PRO A 31 11.016 -0.366 -4.556 1.00 65.42 C ATOM 509 C PRO A 31 10.462 0.924 -5.173 1.00 11.41 C ATOM 510 O PRO A 31 10.653 2.009 -4.627 1.00 33.31 O ATOM 511 CB PRO A 31 12.453 -0.607 -5.041 1.00 64.23 C ATOM 512 CG PRO A 31 12.366 -1.759 -5.984 1.00 35.22 C ATOM 513 CD PRO A 31 11.227 -2.595 -5.496 1.00 4.24 C ATOM 0 HA PRO A 31 10.922 -0.215 -3.481 1.00 65.42 H new ATOM 0 HB2 PRO A 31 12.853 0.277 -5.537 1.00 64.23 H new ATOM 0 HB3 PRO A 31 13.117 -0.832 -4.206 1.00 64.23 H new ATOM 0 HG2 PRO A 31 12.192 -1.418 -7.004 1.00 35.22 H new ATOM 0 HG3 PRO A 31 13.295 -2.329 -5.993 1.00 35.22 H new ATOM 0 HD2 PRO A 31 10.781 -3.183 -6.298 1.00 4.24 H new ATOM 0 HD3 PRO A 31 11.539 -3.296 -4.722 1.00 4.24 H new ATOM 521 N GLN A 32 9.780 0.807 -6.306 1.00 43.02 N ATOM 522 CA GLN A 32 9.236 1.978 -6.989 1.00 21.10 C ATOM 523 C GLN A 32 7.762 2.197 -6.646 1.00 31.12 C ATOM 524 O GLN A 32 7.159 3.186 -7.057 1.00 32.25 O ATOM 525 CB GLN A 32 9.419 1.846 -8.500 1.00 43.12 C ATOM 526 CG GLN A 32 8.876 0.550 -9.071 1.00 73.33 C ATOM 527 CD GLN A 32 9.035 0.473 -10.572 1.00 11.55 C ATOM 528 OE1 GLN A 32 8.155 0.890 -11.316 1.00 55.11 O ATOM 529 NE2 GLN A 32 10.165 -0.046 -11.027 1.00 12.43 N ATOM 0 H GLN A 32 9.590 -0.081 -6.771 1.00 43.02 H new ATOM 0 HA GLN A 32 9.789 2.851 -6.641 1.00 21.10 H new ATOM 0 HB2 GLN A 32 8.924 2.684 -8.991 1.00 43.12 H new ATOM 0 HB3 GLN A 32 10.481 1.920 -8.736 1.00 43.12 H new ATOM 0 HG2 GLN A 32 9.392 -0.292 -8.610 1.00 73.33 H new ATOM 0 HG3 GLN A 32 7.821 0.457 -8.814 1.00 73.33 H new ATOM 0 HE21 GLN A 32 10.872 -0.382 -10.373 1.00 12.43 H new ATOM 0 HE22 GLN A 32 10.329 -0.110 -12.032 1.00 12.43 H new ATOM 538 N ILE A 33 7.192 1.278 -5.882 1.00 44.31 N ATOM 539 CA ILE A 33 5.812 1.398 -5.427 1.00 54.51 C ATOM 540 C ILE A 33 5.647 0.654 -4.105 1.00 73.44 C ATOM 541 O ILE A 33 5.547 -0.573 -4.063 1.00 64.24 O ATOM 542 CB ILE A 33 4.795 0.891 -6.484 1.00 1.44 C ATOM 543 CG1 ILE A 33 3.370 0.926 -5.917 1.00 64.11 C ATOM 544 CG2 ILE A 33 5.156 -0.508 -6.973 1.00 74.42 C ATOM 545 CD1 ILE A 33 2.304 0.531 -6.918 1.00 31.31 C ATOM 0 H ILE A 33 7.667 0.434 -5.561 1.00 44.31 H new ATOM 0 HA ILE A 33 5.596 2.456 -5.277 1.00 54.51 H new ATOM 0 HB ILE A 33 4.839 1.560 -7.344 1.00 1.44 H new ATOM 0 HG12 ILE A 33 3.314 0.257 -5.058 1.00 64.11 H new ATOM 0 HG13 ILE A 33 3.158 1.931 -5.553 1.00 64.11 H new ATOM 0 HG21 ILE A 33 4.425 -0.835 -7.712 1.00 74.42 H new ATOM 0 HG22 ILE A 33 6.147 -0.491 -7.426 1.00 74.42 H new ATOM 0 HG23 ILE A 33 5.154 -1.200 -6.131 1.00 74.42 H new ATOM 0 HD11 ILE A 33 1.324 0.580 -6.444 1.00 31.31 H new ATOM 0 HD12 ILE A 33 2.331 1.214 -7.767 1.00 31.31 H new ATOM 0 HD13 ILE A 33 2.489 -0.486 -7.265 1.00 31.31 H new ATOM 557 N THR A 34 5.650 1.404 -3.022 1.00 54.22 N ATOM 558 CA THR A 34 5.718 0.819 -1.700 1.00 23.43 C ATOM 559 C THR A 34 4.332 0.543 -1.127 1.00 54.23 C ATOM 560 O THR A 34 3.605 1.465 -0.752 1.00 30.32 O ATOM 561 CB THR A 34 6.498 1.742 -0.750 1.00 4.43 C ATOM 562 OG1 THR A 34 7.733 2.125 -1.367 1.00 25.31 O ATOM 563 CG2 THR A 34 6.789 1.051 0.569 1.00 74.33 C ATOM 0 H THR A 34 5.606 2.423 -3.032 1.00 54.22 H new ATOM 0 HA THR A 34 6.237 -0.135 -1.793 1.00 23.43 H new ATOM 0 HB THR A 34 5.888 2.623 -0.550 1.00 4.43 H new ATOM 0 HG1 THR A 34 8.231 2.715 -0.763 1.00 25.31 H new ATOM 0 HG21 THR A 34 7.342 1.728 1.220 1.00 74.33 H new ATOM 0 HG22 THR A 34 5.851 0.772 1.048 1.00 74.33 H new ATOM 0 HG23 THR A 34 7.384 0.156 0.387 1.00 74.33 H new ATOM 571 N ILE A 35 3.966 -0.729 -1.079 1.00 33.15 N ATOM 572 CA ILE A 35 2.729 -1.139 -0.436 1.00 15.13 C ATOM 573 C ILE A 35 2.985 -1.373 1.049 1.00 55.21 C ATOM 574 O ILE A 35 3.614 -2.364 1.434 1.00 64.11 O ATOM 575 CB ILE A 35 2.121 -2.426 -1.056 1.00 11.31 C ATOM 576 CG1 ILE A 35 1.779 -2.230 -2.536 1.00 53.24 C ATOM 577 CG2 ILE A 35 0.873 -2.845 -0.293 1.00 34.14 C ATOM 578 CD1 ILE A 35 2.967 -2.330 -3.466 1.00 20.04 C ATOM 0 H ILE A 35 4.509 -1.495 -1.478 1.00 33.15 H new ATOM 0 HA ILE A 35 2.009 -0.335 -0.588 1.00 15.13 H new ATOM 0 HB ILE A 35 2.873 -3.212 -0.980 1.00 11.31 H new ATOM 0 HG12 ILE A 35 1.040 -2.976 -2.828 1.00 53.24 H new ATOM 0 HG13 ILE A 35 1.314 -1.253 -2.663 1.00 53.24 H new ATOM 0 HG21 ILE A 35 0.459 -3.749 -0.740 1.00 34.14 H new ATOM 0 HG22 ILE A 35 1.131 -3.041 0.748 1.00 34.14 H new ATOM 0 HG23 ILE A 35 0.133 -2.046 -0.339 1.00 34.14 H new ATOM 0 HD11 ILE A 35 2.638 -2.179 -4.494 1.00 20.04 H new ATOM 0 HD12 ILE A 35 3.700 -1.567 -3.204 1.00 20.04 H new ATOM 0 HD13 ILE A 35 3.421 -3.316 -3.371 1.00 20.04 H new ATOM 590 N LEU A 36 2.523 -0.447 1.874 1.00 54.32 N ATOM 591 CA LEU A 36 2.709 -0.550 3.313 1.00 61.21 C ATOM 592 C LEU A 36 1.607 -1.396 3.931 1.00 33.54 C ATOM 593 O LEU A 36 0.543 -1.579 3.341 1.00 2.31 O ATOM 594 CB LEU A 36 2.735 0.835 3.976 1.00 63.23 C ATOM 595 CG LEU A 36 3.943 1.724 3.640 1.00 0.24 C ATOM 596 CD1 LEU A 36 5.236 0.924 3.696 1.00 25.20 C ATOM 597 CD2 LEU A 36 3.775 2.389 2.283 1.00 31.15 C ATOM 0 H LEU A 36 2.016 0.385 1.572 1.00 54.32 H new ATOM 0 HA LEU A 36 3.672 -1.030 3.487 1.00 61.21 H new ATOM 0 HB2 LEU A 36 1.828 1.368 3.692 1.00 63.23 H new ATOM 0 HB3 LEU A 36 2.700 0.698 5.057 1.00 63.23 H new ATOM 0 HG LEU A 36 3.998 2.511 4.392 1.00 0.24 H new ATOM 0 HD11 LEU A 36 6.077 1.574 3.455 1.00 25.20 H new ATOM 0 HD12 LEU A 36 5.368 0.516 4.698 1.00 25.20 H new ATOM 0 HD13 LEU A 36 5.190 0.108 2.975 1.00 25.20 H new ATOM 0 HD21 LEU A 36 4.645 3.011 2.073 1.00 31.15 H new ATOM 0 HD22 LEU A 36 3.681 1.624 1.512 1.00 31.15 H new ATOM 0 HD23 LEU A 36 2.878 3.009 2.290 1.00 31.15 H new ATOM 609 N GLY A 37 1.878 -1.927 5.110 1.00 44.34 N ATOM 610 CA GLY A 37 0.892 -2.717 5.807 1.00 21.45 C ATOM 611 C GLY A 37 0.762 -2.309 7.257 1.00 24.21 C ATOM 612 O GLY A 37 1.723 -2.403 8.025 1.00 4.33 O ATOM 0 H GLY A 37 2.768 -1.824 5.598 1.00 44.34 H new ATOM 0 HA2 GLY A 37 -0.073 -2.611 5.312 1.00 21.45 H new ATOM 0 HA3 GLY A 37 1.165 -3.771 5.750 1.00 21.45 H new ATOM 616 N ARG A 38 -0.414 -1.828 7.627 1.00 23.32 N ATOM 617 CA ARG A 38 -0.692 -1.461 9.004 1.00 1.44 C ATOM 618 C ARG A 38 -1.479 -2.565 9.694 1.00 32.32 C ATOM 619 O ARG A 38 -2.629 -2.826 9.344 1.00 62.22 O ATOM 620 CB ARG A 38 -1.483 -0.151 9.058 1.00 11.25 C ATOM 621 CG ARG A 38 -1.882 0.282 10.463 1.00 74.55 C ATOM 622 CD ARG A 38 -0.744 0.962 11.217 1.00 62.12 C ATOM 623 NE ARG A 38 0.413 0.093 11.438 1.00 44.43 N ATOM 624 CZ ARG A 38 0.585 -0.668 12.521 1.00 33.14 C ATOM 625 NH1 ARG A 38 -0.376 -0.769 13.435 1.00 22.52 N ATOM 626 NH2 ARG A 38 1.720 -1.336 12.678 1.00 42.01 N ATOM 0 H ARG A 38 -1.195 -1.682 6.987 1.00 23.32 H new ATOM 0 HA ARG A 38 0.257 -1.322 9.522 1.00 1.44 H new ATOM 0 HB2 ARG A 38 -0.886 0.639 8.602 1.00 11.25 H new ATOM 0 HB3 ARG A 38 -2.384 -0.259 8.454 1.00 11.25 H new ATOM 0 HG2 ARG A 38 -2.730 0.964 10.401 1.00 74.55 H new ATOM 0 HG3 ARG A 38 -2.215 -0.590 11.026 1.00 74.55 H new ATOM 0 HD2 ARG A 38 -0.425 1.843 10.660 1.00 62.12 H new ATOM 0 HD3 ARG A 38 -1.115 1.311 12.181 1.00 62.12 H new ATOM 0 HE ARG A 38 1.135 0.067 10.718 1.00 44.43 H new ATOM 0 HH11 ARG A 38 -1.253 -0.263 13.311 1.00 22.52 H new ATOM 0 HH12 ARG A 38 -0.236 -1.353 14.260 1.00 22.52 H new ATOM 0 HH21 ARG A 38 2.454 -1.266 11.974 1.00 42.01 H new ATOM 0 HH22 ARG A 38 1.858 -1.919 13.503 1.00 42.01 H new ATOM 640 N LEU A 39 -0.850 -3.217 10.661 1.00 33.24 N ATOM 641 CA LEU A 39 -1.518 -4.250 11.438 1.00 33.54 C ATOM 642 C LEU A 39 -2.577 -3.621 12.330 1.00 4.05 C ATOM 643 O LEU A 39 -2.280 -3.131 13.421 1.00 41.42 O ATOM 644 CB LEU A 39 -0.522 -5.055 12.286 1.00 35.44 C ATOM 645 CG LEU A 39 0.440 -5.963 11.509 1.00 10.34 C ATOM 646 CD1 LEU A 39 -0.319 -6.827 10.511 1.00 41.41 C ATOM 647 CD2 LEU A 39 1.520 -5.145 10.814 1.00 74.04 C ATOM 0 H LEU A 39 0.121 -3.049 10.926 1.00 33.24 H new ATOM 0 HA LEU A 39 -1.992 -4.941 10.741 1.00 33.54 H new ATOM 0 HB2 LEU A 39 0.068 -4.356 12.879 1.00 35.44 H new ATOM 0 HB3 LEU A 39 -1.086 -5.671 12.987 1.00 35.44 H new ATOM 0 HG LEU A 39 0.931 -6.625 12.223 1.00 10.34 H new ATOM 0 HD11 LEU A 39 0.383 -7.462 9.972 1.00 41.41 H new ATOM 0 HD12 LEU A 39 -1.038 -7.450 11.042 1.00 41.41 H new ATOM 0 HD13 LEU A 39 -0.847 -6.187 9.803 1.00 41.41 H new ATOM 0 HD21 LEU A 39 2.189 -5.812 10.270 1.00 74.04 H new ATOM 0 HD22 LEU A 39 1.056 -4.448 10.116 1.00 74.04 H new ATOM 0 HD23 LEU A 39 2.089 -4.588 11.558 1.00 74.04 H new ATOM 659 N ASN A 40 -3.800 -3.598 11.833 1.00 43.12 N ATOM 660 CA ASN A 40 -4.916 -3.003 12.548 1.00 52.22 C ATOM 661 C ASN A 40 -6.216 -3.676 12.141 1.00 62.31 C ATOM 662 O ASN A 40 -6.730 -3.441 11.046 1.00 73.11 O ATOM 663 CB ASN A 40 -4.992 -1.498 12.260 1.00 2.04 C ATOM 664 CG ASN A 40 -6.179 -0.825 12.932 1.00 65.51 C ATOM 665 OD1 ASN A 40 -6.624 -1.237 14.000 1.00 2.41 O ATOM 666 ND2 ASN A 40 -6.701 0.223 12.307 1.00 34.02 N ATOM 0 H ASN A 40 -4.048 -3.990 10.925 1.00 43.12 H new ATOM 0 HA ASN A 40 -4.761 -3.148 13.617 1.00 52.22 H new ATOM 0 HB2 ASN A 40 -4.072 -1.022 12.598 1.00 2.04 H new ATOM 0 HB3 ASN A 40 -5.054 -1.342 11.183 1.00 2.04 H new ATOM 0 HD21 ASN A 40 -7.498 0.714 12.713 1.00 34.02 H new ATOM 0 HD22 ASN A 40 -6.305 0.538 11.421 1.00 34.02 H new ATOM 673 N SER A 41 -6.735 -4.526 13.010 1.00 61.33 N ATOM 674 CA SER A 41 -7.991 -5.197 12.742 1.00 52.13 C ATOM 675 C SER A 41 -9.150 -4.274 13.098 1.00 41.45 C ATOM 676 O SER A 41 -9.686 -4.312 14.207 1.00 31.23 O ATOM 677 CB SER A 41 -8.090 -6.518 13.513 1.00 63.13 C ATOM 678 OG SER A 41 -9.264 -7.230 13.149 1.00 33.23 O ATOM 0 H SER A 41 -6.306 -4.766 13.904 1.00 61.33 H new ATOM 0 HA SER A 41 -8.039 -5.436 11.680 1.00 52.13 H new ATOM 0 HB2 SER A 41 -7.211 -7.130 13.309 1.00 63.13 H new ATOM 0 HB3 SER A 41 -8.098 -6.319 14.585 1.00 63.13 H new ATOM 0 HG SER A 41 -9.306 -8.070 13.652 1.00 33.23 H new ATOM 684 N LEU A 42 -9.493 -3.408 12.163 1.00 64.31 N ATOM 685 CA LEU A 42 -10.581 -2.467 12.360 1.00 4.12 C ATOM 686 C LEU A 42 -11.867 -3.055 11.789 1.00 73.54 C ATOM 687 O LEU A 42 -12.947 -2.893 12.355 1.00 42.44 O ATOM 688 CB LEU A 42 -10.240 -1.134 11.674 1.00 65.24 C ATOM 689 CG LEU A 42 -10.840 0.136 12.302 1.00 74.13 C ATOM 690 CD1 LEU A 42 -12.351 0.186 12.127 1.00 41.01 C ATOM 691 CD2 LEU A 42 -10.472 0.225 13.775 1.00 22.13 C ATOM 0 H LEU A 42 -9.032 -3.336 11.256 1.00 64.31 H new ATOM 0 HA LEU A 42 -10.723 -2.281 13.425 1.00 4.12 H new ATOM 0 HB2 LEU A 42 -9.155 -1.027 11.658 1.00 65.24 H new ATOM 0 HB3 LEU A 42 -10.570 -1.190 10.637 1.00 65.24 H new ATOM 0 HG LEU A 42 -10.418 0.995 11.781 1.00 74.13 H new ATOM 0 HD11 LEU A 42 -12.740 1.096 12.583 1.00 41.01 H new ATOM 0 HD12 LEU A 42 -12.595 0.179 11.065 1.00 41.01 H new ATOM 0 HD13 LEU A 42 -12.802 -0.682 12.608 1.00 41.01 H new ATOM 0 HD21 LEU A 42 -10.904 1.129 14.204 1.00 22.13 H new ATOM 0 HD22 LEU A 42 -10.860 -0.648 14.300 1.00 22.13 H new ATOM 0 HD23 LEU A 42 -9.387 0.257 13.878 1.00 22.13 H new ATOM 703 N GLY A 43 -11.730 -3.772 10.684 1.00 22.22 N ATOM 704 CA GLY A 43 -12.889 -4.297 9.991 1.00 33.44 C ATOM 705 C GLY A 43 -13.239 -3.456 8.783 1.00 75.21 C ATOM 706 O GLY A 43 -14.164 -3.769 8.035 1.00 41.11 O ATOM 0 H GLY A 43 -10.834 -4.001 10.253 1.00 22.22 H new ATOM 0 HA2 GLY A 43 -12.694 -5.323 9.678 1.00 33.44 H new ATOM 0 HA3 GLY A 43 -13.739 -4.328 10.673 1.00 33.44 H new ATOM 710 N HIS A 44 -12.481 -2.388 8.592 1.00 12.22 N ATOM 711 CA HIS A 44 -12.687 -1.481 7.474 1.00 24.05 C ATOM 712 C HIS A 44 -11.436 -1.448 6.603 1.00 15.33 C ATOM 713 O HIS A 44 -10.490 -0.724 6.900 1.00 44.13 O ATOM 714 CB HIS A 44 -13.016 -0.074 7.993 1.00 4.31 C ATOM 715 CG HIS A 44 -13.383 0.917 6.925 1.00 71.12 C ATOM 716 ND1 HIS A 44 -14.674 1.350 6.717 1.00 34.35 N ATOM 717 CD2 HIS A 44 -12.617 1.584 6.027 1.00 15.34 C ATOM 718 CE1 HIS A 44 -14.687 2.235 5.738 1.00 44.13 C ATOM 719 NE2 HIS A 44 -13.452 2.395 5.304 1.00 64.53 N ATOM 0 H HIS A 44 -11.709 -2.126 9.205 1.00 12.22 H new ATOM 0 HA HIS A 44 -13.526 -1.834 6.873 1.00 24.05 H new ATOM 0 HB2 HIS A 44 -13.841 -0.146 8.702 1.00 4.31 H new ATOM 0 HB3 HIS A 44 -12.155 0.307 8.543 1.00 4.31 H new ATOM 0 HD2 HIS A 44 -11.548 1.493 5.904 1.00 15.34 H new ATOM 0 HE1 HIS A 44 -15.561 2.742 5.357 1.00 44.13 H new ATOM 0 HE2 HIS A 44 -13.165 3.021 4.552 1.00 64.53 H new ATOM 728 N PRO A 45 -11.406 -2.253 5.533 1.00 0.02 N ATOM 729 CA PRO A 45 -10.276 -2.312 4.617 1.00 31.22 C ATOM 730 C PRO A 45 -10.328 -1.188 3.591 1.00 5.20 C ATOM 731 O PRO A 45 -11.269 -1.100 2.797 1.00 11.25 O ATOM 732 CB PRO A 45 -10.430 -3.676 3.924 1.00 50.54 C ATOM 733 CG PRO A 45 -11.713 -4.268 4.429 1.00 52.11 C ATOM 734 CD PRO A 45 -12.469 -3.167 5.120 1.00 1.33 C ATOM 0 HA PRO A 45 -9.324 -2.199 5.135 1.00 31.22 H new ATOM 0 HB2 PRO A 45 -10.456 -3.560 2.841 1.00 50.54 H new ATOM 0 HB3 PRO A 45 -9.586 -4.326 4.154 1.00 50.54 H new ATOM 0 HG2 PRO A 45 -12.298 -4.678 3.606 1.00 52.11 H new ATOM 0 HG3 PRO A 45 -11.513 -5.089 5.118 1.00 52.11 H new ATOM 0 HD2 PRO A 45 -13.181 -2.683 4.451 1.00 1.33 H new ATOM 0 HD3 PRO A 45 -13.036 -3.540 5.973 1.00 1.33 H new ATOM 742 N ARG A 46 -9.331 -0.322 3.616 1.00 11.23 N ATOM 743 CA ARG A 46 -9.282 0.793 2.686 1.00 60.21 C ATOM 744 C ARG A 46 -7.945 0.823 1.960 1.00 14.13 C ATOM 745 O ARG A 46 -6.933 0.354 2.483 1.00 40.33 O ATOM 746 CB ARG A 46 -9.507 2.125 3.410 1.00 40.35 C ATOM 747 CG ARG A 46 -8.316 2.590 4.237 1.00 74.12 C ATOM 748 CD ARG A 46 -8.471 4.041 4.661 1.00 3.44 C ATOM 749 NE ARG A 46 -8.781 4.903 3.518 1.00 72.33 N ATOM 750 CZ ARG A 46 -8.381 6.167 3.396 1.00 61.13 C ATOM 751 NH1 ARG A 46 -7.609 6.717 4.322 1.00 22.42 N ATOM 752 NH2 ARG A 46 -8.745 6.873 2.332 1.00 32.03 N ATOM 0 H ARG A 46 -8.547 -0.368 4.267 1.00 11.23 H new ATOM 0 HA ARG A 46 -10.081 0.654 1.958 1.00 60.21 H new ATOM 0 HB2 ARG A 46 -9.746 2.892 2.673 1.00 40.35 H new ATOM 0 HB3 ARG A 46 -10.375 2.030 4.063 1.00 40.35 H new ATOM 0 HG2 ARG A 46 -8.216 1.959 5.120 1.00 74.12 H new ATOM 0 HG3 ARG A 46 -7.400 2.474 3.657 1.00 74.12 H new ATOM 0 HD2 ARG A 46 -9.264 4.121 5.405 1.00 3.44 H new ATOM 0 HD3 ARG A 46 -7.552 4.382 5.137 1.00 3.44 H new ATOM 0 HE ARG A 46 -9.342 4.508 2.763 1.00 72.33 H new ATOM 0 HH11 ARG A 46 -7.318 6.172 5.133 1.00 22.42 H new ATOM 0 HH12 ARG A 46 -7.306 7.686 4.223 1.00 22.42 H new ATOM 0 HH21 ARG A 46 -9.329 6.447 1.612 1.00 32.03 H new ATOM 0 HH22 ARG A 46 -8.441 7.842 2.234 1.00 32.03 H new ATOM 766 N ILE A 47 -7.951 1.366 0.753 1.00 3.34 N ATOM 767 CA ILE A 47 -6.727 1.540 -0.005 1.00 51.13 C ATOM 768 C ILE A 47 -6.383 3.028 -0.094 1.00 23.41 C ATOM 769 O ILE A 47 -7.080 3.810 -0.739 1.00 71.34 O ATOM 770 CB ILE A 47 -6.828 0.905 -1.420 1.00 71.41 C ATOM 771 CG1 ILE A 47 -5.511 1.090 -2.179 1.00 63.33 C ATOM 772 CG2 ILE A 47 -8.001 1.476 -2.212 1.00 52.45 C ATOM 773 CD1 ILE A 47 -5.556 0.632 -3.621 1.00 44.11 C ATOM 0 H ILE A 47 -8.792 1.694 0.279 1.00 3.34 H new ATOM 0 HA ILE A 47 -5.925 1.019 0.518 1.00 51.13 H new ATOM 0 HB ILE A 47 -7.013 -0.162 -1.297 1.00 71.41 H new ATOM 0 HG12 ILE A 47 -5.235 2.144 -2.153 1.00 63.33 H new ATOM 0 HG13 ILE A 47 -4.725 0.541 -1.660 1.00 63.33 H new ATOM 0 HG21 ILE A 47 -8.038 1.007 -3.195 1.00 52.45 H new ATOM 0 HG22 ILE A 47 -8.931 1.277 -1.679 1.00 52.45 H new ATOM 0 HG23 ILE A 47 -7.873 2.552 -2.327 1.00 52.45 H new ATOM 0 HD11 ILE A 47 -4.584 0.798 -4.086 1.00 44.11 H new ATOM 0 HD12 ILE A 47 -5.800 -0.430 -3.658 1.00 44.11 H new ATOM 0 HD13 ILE A 47 -6.317 1.198 -4.159 1.00 44.11 H new ATOM 785 N GLY A 48 -5.326 3.423 0.594 1.00 2.41 N ATOM 786 CA GLY A 48 -4.956 4.821 0.629 1.00 1.20 C ATOM 787 C GLY A 48 -3.723 5.111 -0.193 1.00 60.34 C ATOM 788 O GLY A 48 -2.658 5.387 0.356 1.00 61.52 O ATOM 0 H GLY A 48 -4.718 2.803 1.128 1.00 2.41 H new ATOM 0 HA2 GLY A 48 -5.786 5.423 0.259 1.00 1.20 H new ATOM 0 HA3 GLY A 48 -4.780 5.122 1.662 1.00 1.20 H new ATOM 792 N LEU A 49 -3.852 5.035 -1.509 1.00 52.04 N ATOM 793 CA LEU A 49 -2.725 5.296 -2.392 1.00 44.30 C ATOM 794 C LEU A 49 -2.349 6.773 -2.366 1.00 35.21 C ATOM 795 O LEU A 49 -3.122 7.635 -2.789 1.00 52.00 O ATOM 796 CB LEU A 49 -3.037 4.857 -3.824 1.00 42.12 C ATOM 797 CG LEU A 49 -1.906 5.093 -4.834 1.00 51.54 C ATOM 798 CD1 LEU A 49 -0.656 4.321 -4.441 1.00 54.12 C ATOM 799 CD2 LEU A 49 -2.347 4.694 -6.228 1.00 21.25 C ATOM 0 H LEU A 49 -4.721 4.796 -1.987 1.00 52.04 H new ATOM 0 HA LEU A 49 -1.877 4.714 -2.030 1.00 44.30 H new ATOM 0 HB2 LEU A 49 -3.283 3.795 -3.817 1.00 42.12 H new ATOM 0 HB3 LEU A 49 -3.926 5.388 -4.166 1.00 42.12 H new ATOM 0 HG LEU A 49 -1.669 6.157 -4.830 1.00 51.54 H new ATOM 0 HD11 LEU A 49 0.131 4.505 -5.173 1.00 54.12 H new ATOM 0 HD12 LEU A 49 -0.320 4.649 -3.457 1.00 54.12 H new ATOM 0 HD13 LEU A 49 -0.881 3.255 -4.411 1.00 54.12 H new ATOM 0 HD21 LEU A 49 -1.532 4.868 -6.931 1.00 21.25 H new ATOM 0 HD22 LEU A 49 -2.614 3.637 -6.237 1.00 21.25 H new ATOM 0 HD23 LEU A 49 -3.212 5.289 -6.520 1.00 21.25 H new ATOM 811 N THR A 50 -1.163 7.049 -1.855 1.00 65.40 N ATOM 812 CA THR A 50 -0.640 8.399 -1.802 1.00 73.34 C ATOM 813 C THR A 50 0.498 8.551 -2.805 1.00 14.43 C ATOM 814 O THR A 50 1.414 7.727 -2.847 1.00 35.20 O ATOM 815 CB THR A 50 -0.136 8.738 -0.385 1.00 23.43 C ATOM 816 OG1 THR A 50 -1.194 8.539 0.563 1.00 33.05 O ATOM 817 CG2 THR A 50 0.361 10.176 -0.304 1.00 32.31 C ATOM 0 H THR A 50 -0.537 6.344 -1.466 1.00 65.40 H new ATOM 0 HA THR A 50 -1.444 9.090 -2.056 1.00 73.34 H new ATOM 0 HB THR A 50 0.699 8.076 -0.153 1.00 23.43 H new ATOM 0 HG1 THR A 50 -1.277 9.333 1.132 1.00 33.05 H new ATOM 0 HG21 THR A 50 0.710 10.384 0.708 1.00 32.31 H new ATOM 0 HG22 THR A 50 1.182 10.317 -1.007 1.00 32.31 H new ATOM 0 HG23 THR A 50 -0.453 10.857 -0.555 1.00 32.31 H new ATOM 825 N VAL A 51 0.429 9.591 -3.621 1.00 14.23 N ATOM 826 CA VAL A 51 1.436 9.821 -4.638 1.00 31.30 C ATOM 827 C VAL A 51 1.687 11.317 -4.816 1.00 22.55 C ATOM 828 O VAL A 51 0.756 12.125 -4.786 1.00 5.01 O ATOM 829 CB VAL A 51 1.025 9.178 -5.986 1.00 32.51 C ATOM 830 CG1 VAL A 51 -0.283 9.766 -6.504 1.00 4.25 C ATOM 831 CG2 VAL A 51 2.134 9.327 -7.015 1.00 2.01 C ATOM 0 H VAL A 51 -0.315 10.288 -3.597 1.00 14.23 H new ATOM 0 HA VAL A 51 2.361 9.349 -4.306 1.00 31.30 H new ATOM 0 HB VAL A 51 0.863 8.114 -5.813 1.00 32.51 H new ATOM 0 HG11 VAL A 51 -0.544 9.294 -7.451 1.00 4.25 H new ATOM 0 HG12 VAL A 51 -1.076 9.586 -5.778 1.00 4.25 H new ATOM 0 HG13 VAL A 51 -0.165 10.839 -6.654 1.00 4.25 H new ATOM 0 HG21 VAL A 51 1.823 8.868 -7.954 1.00 2.01 H new ATOM 0 HG22 VAL A 51 2.339 10.385 -7.179 1.00 2.01 H new ATOM 0 HG23 VAL A 51 3.036 8.835 -6.652 1.00 2.01 H new ATOM 841 N ALA A 52 2.950 11.683 -4.970 1.00 51.41 N ATOM 842 CA ALA A 52 3.322 13.072 -5.174 1.00 21.50 C ATOM 843 C ALA A 52 3.479 13.370 -6.658 1.00 11.44 C ATOM 844 O ALA A 52 3.716 12.463 -7.459 1.00 73.22 O ATOM 845 CB ALA A 52 4.607 13.392 -4.423 1.00 2.24 C ATOM 0 H ALA A 52 3.737 11.034 -4.957 1.00 51.41 H new ATOM 0 HA ALA A 52 2.527 13.705 -4.781 1.00 21.50 H new ATOM 0 HB1 ALA A 52 4.873 14.436 -4.586 1.00 2.24 H new ATOM 0 HB2 ALA A 52 4.459 13.217 -3.357 1.00 2.24 H new ATOM 0 HB3 ALA A 52 5.411 12.752 -4.788 1.00 2.24 H new ATOM 851 N LYS A 53 3.363 14.643 -7.017 1.00 3.23 N ATOM 852 CA LYS A 53 3.462 15.072 -8.412 1.00 24.45 C ATOM 853 C LYS A 53 4.894 14.917 -8.926 1.00 44.33 C ATOM 854 O LYS A 53 5.147 14.939 -10.131 1.00 11.44 O ATOM 855 CB LYS A 53 2.998 16.528 -8.543 1.00 2.24 C ATOM 856 CG LYS A 53 2.914 17.031 -9.977 1.00 74.14 C ATOM 857 CD LYS A 53 2.486 18.487 -10.029 1.00 34.24 C ATOM 858 CE LYS A 53 2.433 19.002 -11.456 1.00 4.44 C ATOM 859 NZ LYS A 53 2.055 20.439 -11.511 1.00 64.34 N ATOM 0 H LYS A 53 3.199 15.404 -6.357 1.00 3.23 H new ATOM 0 HA LYS A 53 2.816 14.439 -9.020 1.00 24.45 H new ATOM 0 HB2 LYS A 53 2.018 16.628 -8.077 1.00 2.24 H new ATOM 0 HB3 LYS A 53 3.683 17.167 -7.985 1.00 2.24 H new ATOM 0 HG2 LYS A 53 3.884 16.918 -10.461 1.00 74.14 H new ATOM 0 HG3 LYS A 53 2.205 16.421 -10.537 1.00 74.14 H new ATOM 0 HD2 LYS A 53 1.505 18.596 -9.566 1.00 34.24 H new ATOM 0 HD3 LYS A 53 3.182 19.093 -9.448 1.00 34.24 H new ATOM 0 HE2 LYS A 53 3.405 18.864 -11.929 1.00 4.44 H new ATOM 0 HE3 LYS A 53 1.714 18.415 -12.028 1.00 4.44 H new ATOM 0 HZ1 LYS A 53 2.030 20.754 -12.502 1.00 64.34 H new ATOM 0 HZ2 LYS A 53 1.116 20.568 -11.083 1.00 64.34 H new ATOM 0 HZ3 LYS A 53 2.755 21.002 -10.987 1.00 64.34 H new ATOM 873 N LYS A 54 5.830 14.766 -7.998 1.00 34.35 N ATOM 874 CA LYS A 54 7.222 14.525 -8.350 1.00 63.12 C ATOM 875 C LYS A 54 7.457 13.037 -8.614 1.00 1.42 C ATOM 876 O LYS A 54 8.408 12.660 -9.298 1.00 43.45 O ATOM 877 CB LYS A 54 8.150 15.006 -7.227 1.00 21.25 C ATOM 878 CG LYS A 54 7.821 14.399 -5.872 1.00 11.13 C ATOM 879 CD LYS A 54 8.914 14.650 -4.845 1.00 42.41 C ATOM 880 CE LYS A 54 10.229 14.013 -5.264 1.00 42.00 C ATOM 881 NZ LYS A 54 11.240 14.054 -4.174 1.00 5.53 N ATOM 0 H LYS A 54 5.650 14.806 -6.995 1.00 34.35 H new ATOM 0 HA LYS A 54 7.446 15.085 -9.258 1.00 63.12 H new ATOM 0 HB2 LYS A 54 9.180 14.761 -7.486 1.00 21.25 H new ATOM 0 HB3 LYS A 54 8.089 16.092 -7.155 1.00 21.25 H new ATOM 0 HG2 LYS A 54 6.882 14.816 -5.508 1.00 11.13 H new ATOM 0 HG3 LYS A 54 7.671 13.325 -5.984 1.00 11.13 H new ATOM 0 HD2 LYS A 54 9.053 15.723 -4.715 1.00 42.41 H new ATOM 0 HD3 LYS A 54 8.606 14.250 -3.879 1.00 42.41 H new ATOM 0 HE2 LYS A 54 10.053 12.978 -5.557 1.00 42.00 H new ATOM 0 HE3 LYS A 54 10.619 14.530 -6.140 1.00 42.00 H new ATOM 0 HZ1 LYS A 54 12.121 13.610 -4.501 1.00 5.53 H new ATOM 0 HZ2 LYS A 54 11.427 15.043 -3.911 1.00 5.53 H new ATOM 0 HZ3 LYS A 54 10.879 13.538 -3.346 1.00 5.53 H new ATOM 895 N ASN A 55 6.574 12.201 -8.071 1.00 44.12 N ATOM 896 CA ASN A 55 6.704 10.750 -8.184 1.00 0.23 C ATOM 897 C ASN A 55 6.111 10.274 -9.504 1.00 33.24 C ATOM 898 O ASN A 55 6.750 9.545 -10.264 1.00 4.53 O ATOM 899 CB ASN A 55 6.007 10.055 -7.005 1.00 64.55 C ATOM 900 CG ASN A 55 6.672 10.337 -5.664 1.00 53.22 C ATOM 901 OD1 ASN A 55 7.307 11.368 -5.471 1.00 12.21 O ATOM 902 ND2 ASN A 55 6.507 9.432 -4.715 1.00 63.33 N ATOM 0 H ASN A 55 5.755 12.507 -7.545 1.00 44.12 H new ATOM 0 HA ASN A 55 7.763 10.491 -8.160 1.00 0.23 H new ATOM 0 HB2 ASN A 55 4.967 10.380 -6.963 1.00 64.55 H new ATOM 0 HB3 ASN A 55 5.998 8.979 -7.180 1.00 64.55 H new ATOM 0 HD21 ASN A 55 6.913 9.582 -3.791 1.00 63.33 H new ATOM 0 HD22 ASN A 55 5.973 8.584 -4.906 1.00 63.33 H new ATOM 909 N VAL A 56 4.882 10.690 -9.767 1.00 50.22 N ATOM 910 CA VAL A 56 4.250 10.448 -11.053 1.00 22.34 C ATOM 911 C VAL A 56 4.082 11.776 -11.776 1.00 42.41 C ATOM 912 O VAL A 56 3.166 12.543 -11.485 1.00 65.33 O ATOM 913 CB VAL A 56 2.879 9.747 -10.911 1.00 31.35 C ATOM 914 CG1 VAL A 56 2.219 9.566 -12.272 1.00 61.43 C ATOM 915 CG2 VAL A 56 3.035 8.403 -10.215 1.00 61.02 C ATOM 0 H VAL A 56 4.300 11.200 -9.102 1.00 50.22 H new ATOM 0 HA VAL A 56 4.892 9.779 -11.626 1.00 22.34 H new ATOM 0 HB VAL A 56 2.236 10.382 -10.301 1.00 31.35 H new ATOM 0 HG11 VAL A 56 1.256 9.071 -12.146 1.00 61.43 H new ATOM 0 HG12 VAL A 56 2.068 10.541 -12.736 1.00 61.43 H new ATOM 0 HG13 VAL A 56 2.860 8.957 -12.909 1.00 61.43 H new ATOM 0 HG21 VAL A 56 2.060 7.925 -10.124 1.00 61.02 H new ATOM 0 HG22 VAL A 56 3.699 7.766 -10.799 1.00 61.02 H new ATOM 0 HG23 VAL A 56 3.459 8.554 -9.222 1.00 61.02 H new ATOM 925 N ARG A 57 4.992 12.053 -12.698 1.00 10.13 N ATOM 926 CA ARG A 57 5.044 13.353 -13.351 1.00 4.05 C ATOM 927 C ARG A 57 4.044 13.444 -14.502 1.00 23.14 C ATOM 928 O ARG A 57 3.663 14.539 -14.921 1.00 65.53 O ATOM 929 CB ARG A 57 6.464 13.624 -13.854 1.00 22.41 C ATOM 930 CG ARG A 57 6.687 15.060 -14.293 1.00 12.20 C ATOM 931 CD ARG A 57 6.461 16.031 -13.144 1.00 60.32 C ATOM 932 NE ARG A 57 6.608 17.421 -13.565 1.00 5.21 N ATOM 933 CZ ARG A 57 6.452 18.468 -12.756 1.00 42.11 C ATOM 934 NH1 ARG A 57 6.136 18.285 -11.476 1.00 71.32 N ATOM 935 NH2 ARG A 57 6.612 19.696 -13.228 1.00 5.42 N ATOM 0 H ARG A 57 5.705 11.394 -13.011 1.00 10.13 H new ATOM 0 HA ARG A 57 4.770 14.112 -12.618 1.00 4.05 H new ATOM 0 HB2 ARG A 57 7.174 13.380 -13.064 1.00 22.41 H new ATOM 0 HB3 ARG A 57 6.678 12.959 -14.691 1.00 22.41 H new ATOM 0 HG2 ARG A 57 7.702 15.173 -14.673 1.00 12.20 H new ATOM 0 HG3 ARG A 57 6.011 15.301 -15.114 1.00 12.20 H new ATOM 0 HD2 ARG A 57 5.463 15.880 -12.733 1.00 60.32 H new ATOM 0 HD3 ARG A 57 7.170 15.818 -12.344 1.00 60.32 H new ATOM 0 HE ARG A 57 6.845 17.602 -14.540 1.00 5.21 H new ATOM 0 HH11 ARG A 57 6.012 17.341 -11.111 1.00 71.32 H new ATOM 0 HH12 ARG A 57 6.017 19.089 -10.860 1.00 71.32 H new ATOM 0 HH21 ARG A 57 6.854 19.838 -14.209 1.00 5.42 H new ATOM 0 HH22 ARG A 57 6.493 20.499 -12.611 1.00 5.42 H new ATOM 949 N ARG A 58 3.616 12.295 -15.008 1.00 73.31 N ATOM 950 CA ARG A 58 2.677 12.265 -16.119 1.00 22.53 C ATOM 951 C ARG A 58 1.248 12.330 -15.588 1.00 73.14 C ATOM 952 O ARG A 58 0.776 11.393 -14.946 1.00 51.13 O ATOM 953 CB ARG A 58 2.882 11.007 -16.968 1.00 42.43 C ATOM 954 CG ARG A 58 2.504 11.203 -18.427 1.00 43.14 C ATOM 955 CD ARG A 58 3.387 12.259 -19.073 1.00 3.01 C ATOM 956 NE ARG A 58 2.969 12.586 -20.434 1.00 65.44 N ATOM 957 CZ ARG A 58 3.402 13.657 -21.102 1.00 30.43 C ATOM 958 NH1 ARG A 58 4.284 14.480 -20.543 1.00 15.41 N ATOM 959 NH2 ARG A 58 2.962 13.898 -22.330 1.00 51.30 N ATOM 0 H ARG A 58 3.903 11.377 -14.669 1.00 73.31 H new ATOM 0 HA ARG A 58 2.857 13.131 -16.756 1.00 22.53 H new ATOM 0 HB2 ARG A 58 3.927 10.702 -16.908 1.00 42.43 H new ATOM 0 HB3 ARG A 58 2.288 10.194 -16.551 1.00 42.43 H new ATOM 0 HG2 ARG A 58 2.604 10.260 -18.964 1.00 43.14 H new ATOM 0 HG3 ARG A 58 1.458 11.502 -18.500 1.00 43.14 H new ATOM 0 HD2 ARG A 58 3.370 13.163 -18.465 1.00 3.01 H new ATOM 0 HD3 ARG A 58 4.418 11.905 -19.089 1.00 3.01 H new ATOM 0 HE ARG A 58 2.310 11.962 -20.899 1.00 65.44 H new ATOM 0 HH11 ARG A 58 4.631 14.293 -19.602 1.00 15.41 H new ATOM 0 HH12 ARG A 58 4.614 15.298 -21.055 1.00 15.41 H new ATOM 0 HH21 ARG A 58 2.292 13.264 -22.765 1.00 51.30 H new ATOM 0 HH22 ARG A 58 3.294 14.717 -22.839 1.00 51.30 H new ATOM 973 N ALA A 59 0.580 13.444 -15.867 1.00 1.41 N ATOM 974 CA ALA A 59 -0.743 13.733 -15.312 1.00 50.10 C ATOM 975 C ALA A 59 -1.743 12.600 -15.544 1.00 50.23 C ATOM 976 O ALA A 59 -2.407 12.153 -14.610 1.00 45.42 O ATOM 977 CB ALA A 59 -1.278 15.030 -15.899 1.00 30.32 C ATOM 0 H ALA A 59 0.938 14.174 -16.484 1.00 1.41 H new ATOM 0 HA ALA A 59 -0.623 13.834 -14.233 1.00 50.10 H new ATOM 0 HB1 ALA A 59 -2.263 15.239 -15.482 1.00 30.32 H new ATOM 0 HB2 ALA A 59 -0.599 15.847 -15.655 1.00 30.32 H new ATOM 0 HB3 ALA A 59 -1.356 14.934 -16.982 1.00 30.32 H new ATOM 983 N HIS A 60 -1.839 12.129 -16.781 1.00 62.34 N ATOM 984 CA HIS A 60 -2.821 11.105 -17.132 1.00 3.30 C ATOM 985 C HIS A 60 -2.474 9.768 -16.498 1.00 20.02 C ATOM 986 O HIS A 60 -3.359 9.002 -16.115 1.00 10.43 O ATOM 987 CB HIS A 60 -2.928 10.944 -18.650 1.00 10.52 C ATOM 988 CG HIS A 60 -3.545 12.121 -19.341 1.00 62.04 C ATOM 989 ND1 HIS A 60 -3.691 12.199 -20.711 1.00 41.41 N ATOM 990 CD2 HIS A 60 -4.055 13.274 -18.847 1.00 14.01 C ATOM 991 CE1 HIS A 60 -4.257 13.349 -21.025 1.00 44.24 C ATOM 992 NE2 HIS A 60 -4.487 14.020 -19.914 1.00 72.31 N ATOM 0 H HIS A 60 -1.253 12.437 -17.557 1.00 62.34 H new ATOM 0 HA HIS A 60 -3.785 11.435 -16.744 1.00 3.30 H new ATOM 0 HB2 HIS A 60 -1.932 10.776 -19.059 1.00 10.52 H new ATOM 0 HB3 HIS A 60 -3.518 10.055 -18.871 1.00 10.52 H new ATOM 0 HD2 HIS A 60 -4.111 13.554 -17.806 1.00 14.01 H new ATOM 0 HE1 HIS A 60 -4.492 13.684 -22.024 1.00 44.24 H new ATOM 0 HE2 HIS A 60 -4.916 14.944 -19.857 1.00 72.31 H new ATOM 1001 N GLU A 61 -1.186 9.495 -16.363 1.00 55.12 N ATOM 1002 CA GLU A 61 -0.745 8.219 -15.824 1.00 71.31 C ATOM 1003 C GLU A 61 -0.909 8.184 -14.308 1.00 2.11 C ATOM 1004 O GLU A 61 -0.811 7.126 -13.689 1.00 11.30 O ATOM 1005 CB GLU A 61 0.698 7.923 -16.226 1.00 2.31 C ATOM 1006 CG GLU A 61 0.904 7.894 -17.732 1.00 13.33 C ATOM 1007 CD GLU A 61 -0.148 7.073 -18.458 1.00 42.21 C ATOM 1008 OE1 GLU A 61 -0.104 5.827 -18.383 1.00 71.34 O ATOM 1009 OE2 GLU A 61 -1.021 7.672 -19.118 1.00 40.20 O ATOM 0 H GLU A 61 -0.433 10.134 -16.617 1.00 55.12 H new ATOM 0 HA GLU A 61 -1.376 7.438 -16.249 1.00 71.31 H new ATOM 0 HB2 GLU A 61 1.352 8.678 -15.790 1.00 2.31 H new ATOM 0 HB3 GLU A 61 0.996 6.962 -15.806 1.00 2.31 H new ATOM 0 HG2 GLU A 61 0.889 8.914 -18.115 1.00 13.33 H new ATOM 0 HG3 GLU A 61 1.891 7.486 -17.951 1.00 13.33 H new ATOM 1016 N ARG A 62 -1.173 9.343 -13.715 1.00 63.43 N ATOM 1017 CA ARG A 62 -1.531 9.410 -12.305 1.00 62.22 C ATOM 1018 C ARG A 62 -2.820 8.633 -12.082 1.00 64.12 C ATOM 1019 O ARG A 62 -2.949 7.857 -11.131 1.00 63.52 O ATOM 1020 CB ARG A 62 -1.726 10.863 -11.871 1.00 42.12 C ATOM 1021 CG ARG A 62 -2.192 11.013 -10.433 1.00 24.05 C ATOM 1022 CD ARG A 62 -2.786 12.389 -10.181 1.00 30.43 C ATOM 1023 NE ARG A 62 -3.964 12.637 -11.017 1.00 71.25 N ATOM 1024 CZ ARG A 62 -5.073 13.238 -10.585 1.00 4.35 C ATOM 1025 NH1 ARG A 62 -5.194 13.588 -9.309 1.00 12.23 N ATOM 1026 NH2 ARG A 62 -6.075 13.461 -11.426 1.00 14.20 N ATOM 0 H ARG A 62 -1.146 10.246 -14.188 1.00 63.43 H new ATOM 0 HA ARG A 62 -0.727 8.976 -11.711 1.00 62.22 H new ATOM 0 HB2 ARG A 62 -0.786 11.400 -11.997 1.00 42.12 H new ATOM 0 HB3 ARG A 62 -2.454 11.336 -12.531 1.00 42.12 H new ATOM 0 HG2 ARG A 62 -2.935 10.248 -10.209 1.00 24.05 H new ATOM 0 HG3 ARG A 62 -1.352 10.849 -9.758 1.00 24.05 H new ATOM 0 HD2 ARG A 62 -3.061 12.479 -9.130 1.00 30.43 H new ATOM 0 HD3 ARG A 62 -2.033 13.152 -10.380 1.00 30.43 H new ATOM 0 HE ARG A 62 -3.934 12.331 -11.989 1.00 71.25 H new ATOM 0 HH11 ARG A 62 -4.436 13.397 -8.654 1.00 12.23 H new ATOM 0 HH12 ARG A 62 -6.045 14.048 -8.985 1.00 12.23 H new ATOM 0 HH21 ARG A 62 -5.996 13.173 -12.401 1.00 14.20 H new ATOM 0 HH22 ARG A 62 -6.924 13.921 -11.097 1.00 14.20 H new ATOM 1040 N ASN A 63 -3.766 8.840 -12.988 1.00 44.44 N ATOM 1041 CA ASN A 63 -5.042 8.141 -12.950 1.00 42.03 C ATOM 1042 C ASN A 63 -4.827 6.667 -13.261 1.00 31.11 C ATOM 1043 O ASN A 63 -5.533 5.801 -12.747 1.00 65.12 O ATOM 1044 CB ASN A 63 -6.025 8.751 -13.959 1.00 53.04 C ATOM 1045 CG ASN A 63 -6.396 10.193 -13.639 1.00 42.31 C ATOM 1046 OD1 ASN A 63 -5.615 10.940 -13.046 1.00 63.55 O ATOM 1047 ND2 ASN A 63 -7.593 10.600 -14.036 1.00 51.40 N ATOM 0 H ASN A 63 -3.671 9.493 -13.765 1.00 44.44 H new ATOM 0 HA ASN A 63 -5.467 8.243 -11.951 1.00 42.03 H new ATOM 0 HB2 ASN A 63 -5.586 8.708 -14.956 1.00 53.04 H new ATOM 0 HB3 ASN A 63 -6.932 8.146 -13.984 1.00 53.04 H new ATOM 0 HD21 ASN A 63 -7.893 11.558 -13.853 1.00 51.40 H new ATOM 0 HD22 ASN A 63 -8.215 9.956 -14.524 1.00 51.40 H new ATOM 1054 N ARG A 64 -3.830 6.399 -14.097 1.00 73.14 N ATOM 1055 CA ARG A 64 -3.467 5.035 -14.470 1.00 62.43 C ATOM 1056 C ARG A 64 -3.020 4.248 -13.239 1.00 1.23 C ATOM 1057 O ARG A 64 -3.422 3.100 -13.041 1.00 2.32 O ATOM 1058 CB ARG A 64 -2.329 5.060 -15.494 1.00 61.14 C ATOM 1059 CG ARG A 64 -2.168 3.768 -16.280 1.00 2.21 C ATOM 1060 CD ARG A 64 -3.060 3.762 -17.510 1.00 62.21 C ATOM 1061 NE ARG A 64 -2.737 4.867 -18.412 1.00 65.45 N ATOM 1062 CZ ARG A 64 -3.541 5.309 -19.377 1.00 24.04 C ATOM 1063 NH1 ARG A 64 -4.713 4.726 -19.598 1.00 12.33 N ATOM 1064 NH2 ARG A 64 -3.173 6.347 -20.113 1.00 35.42 N ATOM 0 H ARG A 64 -3.252 7.117 -14.534 1.00 73.14 H new ATOM 0 HA ARG A 64 -4.341 4.551 -14.906 1.00 62.43 H new ATOM 0 HB2 ARG A 64 -2.503 5.878 -16.193 1.00 61.14 H new ATOM 0 HB3 ARG A 64 -1.394 5.276 -14.976 1.00 61.14 H new ATOM 0 HG2 ARG A 64 -1.127 3.649 -16.581 1.00 2.21 H new ATOM 0 HG3 ARG A 64 -2.415 2.918 -15.644 1.00 2.21 H new ATOM 0 HD2 ARG A 64 -2.947 2.815 -18.038 1.00 62.21 H new ATOM 0 HD3 ARG A 64 -4.104 3.834 -17.204 1.00 62.21 H new ATOM 0 HE ARG A 64 -1.836 5.330 -18.294 1.00 65.45 H new ATOM 0 HH11 ARG A 64 -5.004 3.933 -19.026 1.00 12.33 H new ATOM 0 HH12 ARG A 64 -5.323 5.071 -20.339 1.00 12.33 H new ATOM 0 HH21 ARG A 64 -2.278 6.804 -19.939 1.00 35.42 H new ATOM 0 HH22 ARG A 64 -3.785 6.690 -20.854 1.00 35.42 H new ATOM 1078 N ILE A 65 -2.191 4.884 -12.414 1.00 73.22 N ATOM 1079 CA ILE A 65 -1.658 4.253 -11.211 1.00 30.31 C ATOM 1080 C ILE A 65 -2.771 3.951 -10.210 1.00 60.11 C ATOM 1081 O ILE A 65 -2.831 2.854 -9.649 1.00 50.15 O ATOM 1082 CB ILE A 65 -0.586 5.138 -10.531 1.00 32.31 C ATOM 1083 CG1 ILE A 65 0.574 5.417 -11.495 1.00 62.14 C ATOM 1084 CG2 ILE A 65 -0.067 4.482 -9.254 1.00 13.14 C ATOM 1085 CD1 ILE A 65 1.259 4.169 -12.012 1.00 21.34 C ATOM 0 H ILE A 65 -1.873 5.842 -12.559 1.00 73.22 H new ATOM 0 HA ILE A 65 -1.193 3.318 -11.524 1.00 30.31 H new ATOM 0 HB ILE A 65 -1.053 6.086 -10.263 1.00 32.31 H new ATOM 0 HG12 ILE A 65 0.199 5.991 -12.342 1.00 62.14 H new ATOM 0 HG13 ILE A 65 1.311 6.041 -10.989 1.00 62.14 H new ATOM 0 HG21 ILE A 65 0.685 5.124 -8.795 1.00 13.14 H new ATOM 0 HG22 ILE A 65 -0.893 4.336 -8.558 1.00 13.14 H new ATOM 0 HG23 ILE A 65 0.378 3.517 -9.496 1.00 13.14 H new ATOM 0 HD11 ILE A 65 2.067 4.451 -12.687 1.00 21.34 H new ATOM 0 HD12 ILE A 65 1.667 3.604 -11.174 1.00 21.34 H new ATOM 0 HD13 ILE A 65 0.537 3.553 -12.548 1.00 21.34 H new ATOM 1097 N LYS A 66 -3.659 4.918 -9.995 1.00 54.33 N ATOM 1098 CA LYS A 66 -4.760 4.734 -9.055 1.00 11.41 C ATOM 1099 C LYS A 66 -5.763 3.719 -9.590 1.00 61.35 C ATOM 1100 O LYS A 66 -6.416 3.016 -8.821 1.00 21.22 O ATOM 1101 CB LYS A 66 -5.442 6.066 -8.730 1.00 22.41 C ATOM 1102 CG LYS A 66 -4.498 7.072 -8.091 1.00 61.44 C ATOM 1103 CD LYS A 66 -5.212 8.008 -7.128 1.00 2.21 C ATOM 1104 CE LYS A 66 -6.157 8.961 -7.837 1.00 11.30 C ATOM 1105 NZ LYS A 66 -6.791 9.903 -6.878 1.00 4.24 N ATOM 0 H LYS A 66 -3.639 5.829 -10.454 1.00 54.33 H new ATOM 0 HA LYS A 66 -4.346 4.343 -8.126 1.00 11.41 H new ATOM 0 HB2 LYS A 66 -5.853 6.491 -9.646 1.00 22.41 H new ATOM 0 HB3 LYS A 66 -6.281 5.885 -8.058 1.00 22.41 H new ATOM 0 HG2 LYS A 66 -3.710 6.539 -7.558 1.00 61.44 H new ATOM 0 HG3 LYS A 66 -4.014 7.659 -8.872 1.00 61.44 H new ATOM 0 HD2 LYS A 66 -5.772 7.419 -6.402 1.00 2.21 H new ATOM 0 HD3 LYS A 66 -4.473 8.583 -6.570 1.00 2.21 H new ATOM 0 HE2 LYS A 66 -5.610 9.523 -8.595 1.00 11.30 H new ATOM 0 HE3 LYS A 66 -6.929 8.393 -8.356 1.00 11.30 H new ATOM 0 HZ1 LYS A 66 -7.431 10.542 -7.391 1.00 4.24 H new ATOM 0 HZ2 LYS A 66 -7.332 9.366 -6.170 1.00 4.24 H new ATOM 0 HZ3 LYS A 66 -6.054 10.461 -6.401 1.00 4.24 H new ATOM 1119 N ARG A 67 -5.876 3.644 -10.910 1.00 41.44 N ATOM 1120 CA ARG A 67 -6.656 2.594 -11.555 1.00 22.21 C ATOM 1121 C ARG A 67 -6.092 1.226 -11.197 1.00 4.22 C ATOM 1122 O ARG A 67 -6.776 0.394 -10.601 1.00 32.13 O ATOM 1123 CB ARG A 67 -6.611 2.748 -13.074 1.00 0.11 C ATOM 1124 CG ARG A 67 -7.862 3.331 -13.701 1.00 50.24 C ATOM 1125 CD ARG A 67 -7.781 3.219 -15.212 1.00 52.33 C ATOM 1126 NE ARG A 67 -9.005 3.641 -15.885 1.00 30.24 N ATOM 1127 CZ ARG A 67 -9.816 2.804 -16.528 1.00 44.20 C ATOM 1128 NH1 ARG A 67 -9.613 1.493 -16.460 1.00 13.15 N ATOM 1129 NH2 ARG A 67 -10.844 3.276 -17.221 1.00 14.03 N ATOM 0 H ARG A 67 -5.437 4.299 -11.557 1.00 41.44 H new ATOM 0 HA ARG A 67 -7.685 2.680 -11.206 1.00 22.21 H new ATOM 0 HB2 ARG A 67 -5.764 3.383 -13.334 1.00 0.11 H new ATOM 0 HB3 ARG A 67 -6.424 1.770 -13.517 1.00 0.11 H new ATOM 0 HG2 ARG A 67 -8.743 2.803 -13.335 1.00 50.24 H new ATOM 0 HG3 ARG A 67 -7.972 4.376 -13.410 1.00 50.24 H new ATOM 0 HD2 ARG A 67 -6.949 3.825 -15.571 1.00 52.33 H new ATOM 0 HD3 ARG A 67 -7.563 2.186 -15.482 1.00 52.33 H new ATOM 0 HE ARG A 67 -9.252 4.630 -15.861 1.00 30.24 H new ATOM 0 HH11 ARG A 67 -8.834 1.125 -15.914 1.00 13.15 H new ATOM 0 HH12 ARG A 67 -10.236 0.854 -16.954 1.00 13.15 H new ATOM 0 HH21 ARG A 67 -11.013 4.281 -17.261 1.00 14.03 H new ATOM 0 HH22 ARG A 67 -11.465 2.634 -17.713 1.00 14.03 H new ATOM 1143 N LEU A 68 -4.823 1.028 -11.551 1.00 72.24 N ATOM 1144 CA LEU A 68 -4.144 -0.256 -11.405 1.00 72.25 C ATOM 1145 C LEU A 68 -4.252 -0.770 -9.971 1.00 54.33 C ATOM 1146 O LEU A 68 -4.646 -1.913 -9.737 1.00 2.21 O ATOM 1147 CB LEU A 68 -2.667 -0.097 -11.807 1.00 53.11 C ATOM 1148 CG LEU A 68 -1.994 -1.328 -12.435 1.00 41.22 C ATOM 1149 CD1 LEU A 68 -1.892 -2.475 -11.441 1.00 61.35 C ATOM 1150 CD2 LEU A 68 -2.751 -1.769 -13.680 1.00 53.41 C ATOM 0 H LEU A 68 -4.234 1.760 -11.950 1.00 72.24 H new ATOM 0 HA LEU A 68 -4.623 -0.986 -12.058 1.00 72.25 H new ATOM 0 HB2 LEU A 68 -2.592 0.731 -12.512 1.00 53.11 H new ATOM 0 HB3 LEU A 68 -2.100 0.187 -10.920 1.00 53.11 H new ATOM 0 HG LEU A 68 -0.981 -1.045 -12.720 1.00 41.22 H new ATOM 0 HD11 LEU A 68 -1.411 -3.329 -11.919 1.00 61.35 H new ATOM 0 HD12 LEU A 68 -1.301 -2.160 -10.581 1.00 61.35 H new ATOM 0 HD13 LEU A 68 -2.891 -2.759 -11.110 1.00 61.35 H new ATOM 0 HD21 LEU A 68 -2.262 -2.642 -14.113 1.00 53.41 H new ATOM 0 HD22 LEU A 68 -3.776 -2.024 -13.411 1.00 53.41 H new ATOM 0 HD23 LEU A 68 -2.757 -0.958 -14.408 1.00 53.41 H new ATOM 1162 N THR A 69 -3.928 0.088 -9.018 1.00 74.04 N ATOM 1163 CA THR A 69 -3.909 -0.301 -7.617 1.00 62.43 C ATOM 1164 C THR A 69 -5.314 -0.593 -7.085 1.00 44.14 C ATOM 1165 O THR A 69 -5.589 -1.700 -6.617 1.00 42.11 O ATOM 1166 CB THR A 69 -3.251 0.792 -6.757 1.00 40.31 C ATOM 1167 OG1 THR A 69 -3.786 2.073 -7.113 1.00 3.00 O ATOM 1168 CG2 THR A 69 -1.741 0.797 -6.940 1.00 44.44 C ATOM 0 H THR A 69 -3.674 1.061 -9.189 1.00 74.04 H new ATOM 0 HA THR A 69 -3.323 -1.218 -7.551 1.00 62.43 H new ATOM 0 HB THR A 69 -3.467 0.581 -5.710 1.00 40.31 H new ATOM 0 HG1 THR A 69 -3.340 2.401 -7.922 1.00 3.00 H new ATOM 0 HG21 THR A 69 -1.302 1.579 -6.321 1.00 44.44 H new ATOM 0 HG22 THR A 69 -1.335 -0.171 -6.644 1.00 44.44 H new ATOM 0 HG23 THR A 69 -1.502 0.986 -7.987 1.00 44.44 H new ATOM 1176 N ARG A 70 -6.202 0.391 -7.181 1.00 42.22 N ATOM 1177 CA ARG A 70 -7.538 0.280 -6.606 1.00 45.30 C ATOM 1178 C ARG A 70 -8.340 -0.846 -7.255 1.00 62.40 C ATOM 1179 O ARG A 70 -9.081 -1.558 -6.576 1.00 14.34 O ATOM 1180 CB ARG A 70 -8.283 1.613 -6.734 1.00 0.04 C ATOM 1181 CG ARG A 70 -9.686 1.597 -6.146 1.00 62.12 C ATOM 1182 CD ARG A 70 -10.332 2.970 -6.216 1.00 53.43 C ATOM 1183 NE ARG A 70 -10.375 3.491 -7.582 1.00 22.31 N ATOM 1184 CZ ARG A 70 -10.782 4.719 -7.902 1.00 10.32 C ATOM 1185 NH1 ARG A 70 -11.202 5.558 -6.961 1.00 41.45 N ATOM 1186 NH2 ARG A 70 -10.774 5.102 -9.170 1.00 64.35 N ATOM 0 H ARG A 70 -6.020 1.277 -7.653 1.00 42.22 H new ATOM 0 HA ARG A 70 -7.426 0.036 -5.550 1.00 45.30 H new ATOM 0 HB2 ARG A 70 -7.702 2.391 -6.239 1.00 0.04 H new ATOM 0 HB3 ARG A 70 -8.345 1.883 -7.788 1.00 0.04 H new ATOM 0 HG2 ARG A 70 -10.300 0.876 -6.686 1.00 62.12 H new ATOM 0 HG3 ARG A 70 -9.644 1.266 -5.108 1.00 62.12 H new ATOM 0 HD2 ARG A 70 -11.345 2.914 -5.818 1.00 53.43 H new ATOM 0 HD3 ARG A 70 -9.779 3.663 -5.582 1.00 53.43 H new ATOM 0 HE ARG A 70 -10.074 2.875 -8.338 1.00 22.31 H new ATOM 0 HH11 ARG A 70 -11.215 5.264 -5.984 1.00 41.45 H new ATOM 0 HH12 ARG A 70 -11.512 6.496 -7.215 1.00 41.45 H new ATOM 0 HH21 ARG A 70 -10.458 4.458 -9.895 1.00 64.35 H new ATOM 0 HH22 ARG A 70 -11.084 6.041 -9.421 1.00 64.35 H new ATOM 1200 N GLU A 71 -8.180 -1.023 -8.561 1.00 61.01 N ATOM 1201 CA GLU A 71 -8.922 -2.052 -9.276 1.00 42.31 C ATOM 1202 C GLU A 71 -8.418 -3.443 -8.895 1.00 53.42 C ATOM 1203 O GLU A 71 -9.156 -4.423 -8.961 1.00 45.30 O ATOM 1204 CB GLU A 71 -8.826 -1.837 -10.787 1.00 1.32 C ATOM 1205 CG GLU A 71 -9.786 -2.702 -11.586 1.00 55.42 C ATOM 1206 CD GLU A 71 -10.645 -1.890 -12.532 1.00 64.11 C ATOM 1207 OE1 GLU A 71 -10.217 -1.663 -13.684 1.00 15.21 O ATOM 1208 OE2 GLU A 71 -11.759 -1.478 -12.127 1.00 73.03 O ATOM 0 H GLU A 71 -7.548 -0.472 -9.142 1.00 61.01 H new ATOM 0 HA GLU A 71 -9.971 -1.978 -8.988 1.00 42.31 H new ATOM 0 HB2 GLU A 71 -9.023 -0.788 -11.010 1.00 1.32 H new ATOM 0 HB3 GLU A 71 -7.806 -2.045 -11.111 1.00 1.32 H new ATOM 0 HG2 GLU A 71 -9.219 -3.438 -12.156 1.00 55.42 H new ATOM 0 HG3 GLU A 71 -10.428 -3.255 -10.901 1.00 55.42 H new ATOM 1215 N SER A 72 -7.166 -3.528 -8.478 1.00 12.11 N ATOM 1216 CA SER A 72 -6.615 -4.792 -8.023 1.00 54.21 C ATOM 1217 C SER A 72 -7.137 -5.128 -6.628 1.00 53.23 C ATOM 1218 O SER A 72 -7.531 -6.261 -6.359 1.00 53.52 O ATOM 1219 CB SER A 72 -5.089 -4.743 -8.031 1.00 25.50 C ATOM 1220 OG SER A 72 -4.607 -4.514 -9.341 1.00 30.11 O ATOM 0 H SER A 72 -6.516 -2.742 -8.445 1.00 12.11 H new ATOM 0 HA SER A 72 -6.935 -5.577 -8.708 1.00 54.21 H new ATOM 0 HB2 SER A 72 -4.741 -3.952 -7.366 1.00 25.50 H new ATOM 0 HB3 SER A 72 -4.687 -5.681 -7.648 1.00 25.50 H new ATOM 0 HG SER A 72 -4.278 -3.594 -9.412 1.00 30.11 H new ATOM 1226 N PHE A 73 -7.179 -4.126 -5.755 1.00 13.45 N ATOM 1227 CA PHE A 73 -7.643 -4.321 -4.381 1.00 43.43 C ATOM 1228 C PHE A 73 -9.140 -4.642 -4.327 1.00 71.22 C ATOM 1229 O PHE A 73 -9.635 -5.155 -3.325 1.00 62.55 O ATOM 1230 CB PHE A 73 -7.337 -3.087 -3.526 1.00 12.55 C ATOM 1231 CG PHE A 73 -5.921 -3.042 -3.007 1.00 65.11 C ATOM 1232 CD1 PHE A 73 -4.849 -2.853 -3.867 1.00 22.33 C ATOM 1233 CD2 PHE A 73 -5.667 -3.183 -1.651 1.00 72.42 C ATOM 1234 CE1 PHE A 73 -3.553 -2.808 -3.385 1.00 24.14 C ATOM 1235 CE2 PHE A 73 -4.373 -3.139 -1.164 1.00 35.41 C ATOM 1236 CZ PHE A 73 -3.316 -2.951 -2.031 1.00 35.22 C ATOM 0 H PHE A 73 -6.898 -3.170 -5.972 1.00 13.45 H new ATOM 0 HA PHE A 73 -7.103 -5.176 -3.975 1.00 43.43 H new ATOM 0 HB2 PHE A 73 -7.526 -2.191 -4.117 1.00 12.55 H new ATOM 0 HB3 PHE A 73 -8.025 -3.062 -2.681 1.00 12.55 H new ATOM 0 HD1 PHE A 73 -5.028 -2.740 -4.926 1.00 22.33 H new ATOM 0 HD2 PHE A 73 -6.490 -3.329 -0.967 1.00 72.42 H new ATOM 0 HE1 PHE A 73 -2.728 -2.661 -4.066 1.00 24.14 H new ATOM 0 HE2 PHE A 73 -4.190 -3.252 -0.106 1.00 35.41 H new ATOM 0 HZ PHE A 73 -2.305 -2.916 -1.652 1.00 35.22 H new ATOM 1246 N ARG A 74 -9.859 -4.351 -5.406 1.00 24.22 N ATOM 1247 CA ARG A 74 -11.290 -4.631 -5.456 1.00 51.33 C ATOM 1248 C ARG A 74 -11.551 -6.039 -6.002 1.00 23.45 C ATOM 1249 O ARG A 74 -12.660 -6.565 -5.884 1.00 33.31 O ATOM 1250 CB ARG A 74 -12.017 -3.577 -6.307 1.00 52.33 C ATOM 1251 CG ARG A 74 -11.814 -3.743 -7.805 1.00 61.34 C ATOM 1252 CD ARG A 74 -12.328 -2.544 -8.588 1.00 50.53 C ATOM 1253 NE ARG A 74 -13.749 -2.296 -8.368 1.00 33.13 N ATOM 1254 CZ ARG A 74 -14.552 -1.715 -9.259 1.00 15.04 C ATOM 1255 NH1 ARG A 74 -14.094 -1.365 -10.458 1.00 20.20 N ATOM 1256 NH2 ARG A 74 -15.821 -1.498 -8.955 1.00 42.21 N ATOM 0 H ARG A 74 -9.479 -3.925 -6.251 1.00 24.22 H new ATOM 0 HA ARG A 74 -11.682 -4.583 -4.440 1.00 51.33 H new ATOM 0 HB2 ARG A 74 -13.084 -3.622 -6.088 1.00 52.33 H new ATOM 0 HB3 ARG A 74 -11.672 -2.586 -6.012 1.00 52.33 H new ATOM 0 HG2 ARG A 74 -10.753 -3.884 -8.013 1.00 61.34 H new ATOM 0 HG3 ARG A 74 -12.328 -4.643 -8.143 1.00 61.34 H new ATOM 0 HD2 ARG A 74 -11.760 -1.658 -8.303 1.00 50.53 H new ATOM 0 HD3 ARG A 74 -12.152 -2.707 -9.651 1.00 50.53 H new ATOM 0 HE ARG A 74 -14.153 -2.585 -7.477 1.00 33.13 H new ATOM 0 HH11 ARG A 74 -13.120 -1.541 -10.703 1.00 20.20 H new ATOM 0 HH12 ARG A 74 -14.717 -0.921 -11.132 1.00 20.20 H new ATOM 0 HH21 ARG A 74 -16.181 -1.775 -8.042 1.00 42.21 H new ATOM 0 HH22 ARG A 74 -16.439 -1.054 -9.634 1.00 42.21 H new ATOM 1270 N LEU A 75 -10.521 -6.648 -6.586 1.00 33.40 N ATOM 1271 CA LEU A 75 -10.653 -7.976 -7.186 1.00 20.10 C ATOM 1272 C LEU A 75 -9.898 -9.027 -6.373 1.00 43.52 C ATOM 1273 O LEU A 75 -10.204 -10.217 -6.438 1.00 4.11 O ATOM 1274 CB LEU A 75 -10.135 -7.965 -8.628 1.00 53.25 C ATOM 1275 CG LEU A 75 -10.894 -7.048 -9.591 1.00 72.13 C ATOM 1276 CD1 LEU A 75 -10.253 -7.075 -10.970 1.00 25.34 C ATOM 1277 CD2 LEU A 75 -12.358 -7.455 -9.677 1.00 30.31 C ATOM 0 H LEU A 75 -9.587 -6.245 -6.657 1.00 33.40 H new ATOM 0 HA LEU A 75 -11.711 -8.237 -7.187 1.00 20.10 H new ATOM 0 HB2 LEU A 75 -9.087 -7.665 -8.617 1.00 53.25 H new ATOM 0 HB3 LEU A 75 -10.172 -8.983 -9.017 1.00 53.25 H new ATOM 0 HG LEU A 75 -10.842 -6.030 -9.206 1.00 72.13 H new ATOM 0 HD11 LEU A 75 -10.806 -6.418 -11.641 1.00 25.34 H new ATOM 0 HD12 LEU A 75 -9.220 -6.735 -10.898 1.00 25.34 H new ATOM 0 HD13 LEU A 75 -10.273 -8.092 -11.361 1.00 25.34 H new ATOM 0 HD21 LEU A 75 -12.880 -6.791 -10.366 1.00 30.31 H new ATOM 0 HD22 LEU A 75 -12.430 -8.481 -10.037 1.00 30.31 H new ATOM 0 HD23 LEU A 75 -12.814 -7.384 -8.689 1.00 30.31 H new ATOM 1289 N ARG A 76 -8.910 -8.581 -5.610 1.00 51.23 N ATOM 1290 CA ARG A 76 -8.105 -9.474 -4.779 1.00 23.41 C ATOM 1291 C ARG A 76 -8.606 -9.438 -3.338 1.00 3.13 C ATOM 1292 O ARG A 76 -7.823 -9.469 -2.388 1.00 35.11 O ATOM 1293 CB ARG A 76 -6.632 -9.055 -4.846 1.00 41.54 C ATOM 1294 CG ARG A 76 -6.059 -9.101 -6.258 1.00 73.14 C ATOM 1295 CD ARG A 76 -5.331 -10.405 -6.553 1.00 45.23 C ATOM 1296 NE ARG A 76 -6.079 -11.589 -6.132 1.00 32.05 N ATOM 1297 CZ ARG A 76 -6.325 -12.639 -6.915 1.00 62.24 C ATOM 1298 NH1 ARG A 76 -5.997 -12.610 -8.203 1.00 64.30 N ATOM 1299 NH2 ARG A 76 -6.907 -13.719 -6.409 1.00 31.24 N ATOM 0 H ARG A 76 -8.643 -7.599 -5.547 1.00 51.23 H new ATOM 0 HA ARG A 76 -8.197 -10.494 -5.152 1.00 23.41 H new ATOM 0 HB2 ARG A 76 -6.530 -8.044 -4.452 1.00 41.54 H new ATOM 0 HB3 ARG A 76 -6.045 -9.709 -4.201 1.00 41.54 H new ATOM 0 HG2 ARG A 76 -6.867 -8.969 -6.978 1.00 73.14 H new ATOM 0 HG3 ARG A 76 -5.371 -8.266 -6.394 1.00 73.14 H new ATOM 0 HD2 ARG A 76 -5.133 -10.469 -7.623 1.00 45.23 H new ATOM 0 HD3 ARG A 76 -4.364 -10.396 -6.050 1.00 45.23 H new ATOM 0 HE ARG A 76 -6.436 -11.613 -5.177 1.00 32.05 H new ATOM 0 HH11 ARG A 76 -5.554 -11.780 -8.598 1.00 64.30 H new ATOM 0 HH12 ARG A 76 -6.188 -13.417 -8.796 1.00 64.30 H new ATOM 0 HH21 ARG A 76 -7.165 -13.744 -5.423 1.00 31.24 H new ATOM 0 HH22 ARG A 76 -7.096 -14.524 -7.007 1.00 31.24 H new ATOM 1313 N GLN A 77 -9.927 -9.415 -3.197 1.00 2.02 N ATOM 1314 CA GLN A 77 -10.579 -9.253 -1.898 1.00 4.14 C ATOM 1315 C GLN A 77 -10.381 -10.489 -1.013 1.00 25.04 C ATOM 1316 O GLN A 77 -10.575 -10.435 0.201 1.00 54.24 O ATOM 1317 CB GLN A 77 -12.074 -8.999 -2.116 1.00 72.20 C ATOM 1318 CG GLN A 77 -12.804 -8.473 -0.889 1.00 20.23 C ATOM 1319 CD GLN A 77 -12.334 -7.091 -0.476 1.00 31.21 C ATOM 1320 OE1 GLN A 77 -12.368 -6.734 0.701 1.00 1.20 O ATOM 1321 NE2 GLN A 77 -11.901 -6.297 -1.444 1.00 44.12 N ATOM 0 H GLN A 77 -10.577 -9.508 -3.977 1.00 2.02 H new ATOM 0 HA GLN A 77 -10.126 -8.404 -1.386 1.00 4.14 H new ATOM 0 HB2 GLN A 77 -12.194 -8.285 -2.930 1.00 72.20 H new ATOM 0 HB3 GLN A 77 -12.546 -9.928 -2.435 1.00 72.20 H new ATOM 0 HG2 GLN A 77 -13.874 -8.442 -1.093 1.00 20.23 H new ATOM 0 HG3 GLN A 77 -12.658 -9.165 -0.060 1.00 20.23 H new ATOM 0 HE21 GLN A 77 -11.888 -6.629 -2.408 1.00 44.12 H new ATOM 0 HE22 GLN A 77 -11.581 -5.354 -1.225 1.00 44.12 H new ATOM 1330 N HIS A 78 -9.995 -11.599 -1.627 1.00 64.12 N ATOM 1331 CA HIS A 78 -9.814 -12.849 -0.894 1.00 2.31 C ATOM 1332 C HIS A 78 -8.505 -12.831 -0.122 1.00 51.23 C ATOM 1333 O HIS A 78 -8.423 -13.311 1.009 1.00 60.43 O ATOM 1334 CB HIS A 78 -9.809 -14.044 -1.851 1.00 21.41 C ATOM 1335 CG HIS A 78 -11.048 -14.176 -2.677 1.00 14.13 C ATOM 1336 ND1 HIS A 78 -11.026 -14.309 -4.048 1.00 70.43 N ATOM 1337 CD2 HIS A 78 -12.354 -14.210 -2.319 1.00 53.30 C ATOM 1338 CE1 HIS A 78 -12.261 -14.417 -4.497 1.00 12.44 C ATOM 1339 NE2 HIS A 78 -13.085 -14.361 -3.468 1.00 23.41 N ATOM 0 H HIS A 78 -9.801 -11.662 -2.626 1.00 64.12 H new ATOM 0 HA HIS A 78 -10.647 -12.947 -0.198 1.00 2.31 H new ATOM 0 HB2 HIS A 78 -8.950 -13.958 -2.517 1.00 21.41 H new ATOM 0 HB3 HIS A 78 -9.673 -14.958 -1.272 1.00 21.41 H new ATOM 0 HD2 HIS A 78 -12.746 -14.133 -1.316 1.00 53.30 H new ATOM 0 HE1 HIS A 78 -12.549 -14.532 -5.531 1.00 12.44 H new ATOM 0 HE2 HIS A 78 -14.102 -14.421 -3.520 1.00 23.41 H new ATOM 1348 N GLU A 79 -7.488 -12.258 -0.743 1.00 65.31 N ATOM 1349 CA GLU A 79 -6.137 -12.319 -0.220 1.00 61.40 C ATOM 1350 C GLU A 79 -5.899 -11.260 0.855 1.00 64.44 C ATOM 1351 O GLU A 79 -5.206 -11.517 1.840 1.00 64.33 O ATOM 1352 CB GLU A 79 -5.116 -12.152 -1.354 1.00 72.12 C ATOM 1353 CG GLU A 79 -5.157 -13.255 -2.410 1.00 14.34 C ATOM 1354 CD GLU A 79 -6.417 -13.228 -3.260 1.00 22.53 C ATOM 1355 OE1 GLU A 79 -6.858 -12.127 -3.643 1.00 22.23 O ATOM 1356 OE2 GLU A 79 -6.959 -14.308 -3.572 1.00 13.22 O ATOM 0 H GLU A 79 -7.576 -11.741 -1.618 1.00 65.31 H new ATOM 0 HA GLU A 79 -6.008 -13.299 0.239 1.00 61.40 H new ATOM 0 HB2 GLU A 79 -5.287 -11.193 -1.842 1.00 72.12 H new ATOM 0 HB3 GLU A 79 -4.116 -12.116 -0.923 1.00 72.12 H new ATOM 0 HG2 GLU A 79 -4.287 -13.159 -3.060 1.00 14.34 H new ATOM 0 HG3 GLU A 79 -5.081 -14.224 -1.916 1.00 14.34 H new ATOM 1363 N LEU A 80 -6.485 -10.082 0.675 1.00 12.03 N ATOM 1364 CA LEU A 80 -6.257 -8.975 1.599 1.00 55.21 C ATOM 1365 C LEU A 80 -7.182 -9.058 2.815 1.00 60.43 C ATOM 1366 O LEU A 80 -8.346 -9.446 2.699 1.00 44.22 O ATOM 1367 CB LEU A 80 -6.411 -7.624 0.874 1.00 14.20 C ATOM 1368 CG LEU A 80 -7.720 -7.409 0.098 1.00 24.34 C ATOM 1369 CD1 LEU A 80 -8.835 -6.921 1.014 1.00 1.34 C ATOM 1370 CD2 LEU A 80 -7.500 -6.423 -1.035 1.00 4.10 C ATOM 0 H LEU A 80 -7.117 -9.868 -0.096 1.00 12.03 H new ATOM 0 HA LEU A 80 -5.234 -9.051 1.966 1.00 55.21 H new ATOM 0 HB2 LEU A 80 -6.317 -6.828 1.612 1.00 14.20 H new ATOM 0 HB3 LEU A 80 -5.579 -7.513 0.178 1.00 14.20 H new ATOM 0 HG LEU A 80 -8.026 -8.369 -0.318 1.00 24.34 H new ATOM 0 HD11 LEU A 80 -9.747 -6.779 0.434 1.00 1.34 H new ATOM 0 HD12 LEU A 80 -9.014 -7.660 1.795 1.00 1.34 H new ATOM 0 HD13 LEU A 80 -8.544 -5.975 1.469 1.00 1.34 H new ATOM 0 HD21 LEU A 80 -8.434 -6.278 -1.578 1.00 4.10 H new ATOM 0 HD22 LEU A 80 -7.166 -5.469 -0.627 1.00 4.10 H new ATOM 0 HD23 LEU A 80 -6.742 -6.813 -1.714 1.00 4.10 H new ATOM 1382 N PRO A 81 -6.654 -8.730 4.005 1.00 54.24 N ATOM 1383 CA PRO A 81 -7.430 -8.659 5.238 1.00 14.54 C ATOM 1384 C PRO A 81 -8.098 -7.296 5.417 1.00 54.52 C ATOM 1385 O PRO A 81 -7.864 -6.370 4.638 1.00 74.23 O ATOM 1386 CB PRO A 81 -6.381 -8.889 6.341 1.00 53.53 C ATOM 1387 CG PRO A 81 -5.049 -8.954 5.652 1.00 52.34 C ATOM 1388 CD PRO A 81 -5.248 -8.427 4.258 1.00 31.33 C ATOM 0 HA PRO A 81 -8.243 -9.385 5.250 1.00 14.54 H new ATOM 0 HB2 PRO A 81 -6.401 -8.080 7.071 1.00 53.53 H new ATOM 0 HB3 PRO A 81 -6.583 -9.813 6.883 1.00 53.53 H new ATOM 0 HG2 PRO A 81 -4.309 -8.359 6.187 1.00 52.34 H new ATOM 0 HG3 PRO A 81 -4.677 -9.978 5.627 1.00 52.34 H new ATOM 0 HD2 PRO A 81 -5.045 -7.358 4.195 1.00 31.33 H new ATOM 0 HD3 PRO A 81 -4.591 -8.919 3.540 1.00 31.33 H new ATOM 1396 N ALA A 82 -8.917 -7.171 6.452 1.00 65.13 N ATOM 1397 CA ALA A 82 -9.635 -5.930 6.710 1.00 54.02 C ATOM 1398 C ALA A 82 -8.789 -4.970 7.541 1.00 71.24 C ATOM 1399 O ALA A 82 -9.056 -4.742 8.725 1.00 4.25 O ATOM 1400 CB ALA A 82 -10.958 -6.219 7.400 1.00 74.04 C ATOM 0 H ALA A 82 -9.101 -7.913 7.127 1.00 65.13 H new ATOM 0 HA ALA A 82 -9.841 -5.449 5.754 1.00 54.02 H new ATOM 0 HB1 ALA A 82 -11.483 -5.282 7.586 1.00 74.04 H new ATOM 0 HB2 ALA A 82 -11.569 -6.857 6.762 1.00 74.04 H new ATOM 0 HB3 ALA A 82 -10.771 -6.725 8.347 1.00 74.04 H new ATOM 1406 N MET A 83 -7.759 -4.422 6.913 1.00 2.45 N ATOM 1407 CA MET A 83 -6.832 -3.526 7.591 1.00 3.40 C ATOM 1408 C MET A 83 -6.679 -2.226 6.811 1.00 14.13 C ATOM 1409 O MET A 83 -7.349 -2.016 5.797 1.00 40.43 O ATOM 1410 CB MET A 83 -5.464 -4.200 7.756 1.00 60.15 C ATOM 1411 CG MET A 83 -5.500 -5.477 8.581 1.00 52.05 C ATOM 1412 SD MET A 83 -3.874 -6.241 8.754 1.00 23.44 S ATOM 1413 CE MET A 83 -4.284 -7.695 9.715 1.00 70.42 C ATOM 0 H MET A 83 -7.543 -4.583 5.929 1.00 2.45 H new ATOM 0 HA MET A 83 -7.236 -3.298 8.577 1.00 3.40 H new ATOM 0 HB2 MET A 83 -5.061 -4.428 6.769 1.00 60.15 H new ATOM 0 HB3 MET A 83 -4.777 -3.495 8.225 1.00 60.15 H new ATOM 0 HG2 MET A 83 -5.899 -5.254 9.570 1.00 52.05 H new ATOM 0 HG3 MET A 83 -6.183 -6.187 8.114 1.00 52.05 H new ATOM 0 HE1 MET A 83 -3.379 -8.273 9.904 1.00 70.42 H new ATOM 0 HE2 MET A 83 -4.726 -7.391 10.664 1.00 70.42 H new ATOM 0 HE3 MET A 83 -4.997 -8.307 9.162 1.00 70.42 H new ATOM 1423 N ASP A 84 -5.798 -1.360 7.293 1.00 54.34 N ATOM 1424 CA ASP A 84 -5.519 -0.091 6.633 1.00 12.14 C ATOM 1425 C ASP A 84 -4.288 -0.232 5.746 1.00 75.14 C ATOM 1426 O ASP A 84 -3.208 -0.598 6.220 1.00 65.42 O ATOM 1427 CB ASP A 84 -5.301 1.017 7.673 1.00 50.13 C ATOM 1428 CG ASP A 84 -5.029 2.372 7.042 1.00 10.13 C ATOM 1429 OD1 ASP A 84 -6.002 3.099 6.743 1.00 33.05 O ATOM 1430 OD2 ASP A 84 -3.846 2.716 6.859 1.00 60.42 O ATOM 0 H ASP A 84 -5.260 -1.515 8.146 1.00 54.34 H new ATOM 0 HA ASP A 84 -6.374 0.181 6.015 1.00 12.14 H new ATOM 0 HB2 ASP A 84 -6.182 1.089 8.311 1.00 50.13 H new ATOM 0 HB3 ASP A 84 -4.463 0.746 8.316 1.00 50.13 H new ATOM 1435 N PHE A 85 -4.455 0.022 4.456 1.00 31.03 N ATOM 1436 CA PHE A 85 -3.357 -0.112 3.515 1.00 73.21 C ATOM 1437 C PHE A 85 -3.109 1.191 2.768 1.00 64.43 C ATOM 1438 O PHE A 85 -3.692 1.446 1.710 1.00 64.05 O ATOM 1439 CB PHE A 85 -3.629 -1.245 2.520 1.00 51.50 C ATOM 1440 CG PHE A 85 -3.701 -2.607 3.155 1.00 45.34 C ATOM 1441 CD1 PHE A 85 -2.545 -3.256 3.559 1.00 61.40 C ATOM 1442 CD2 PHE A 85 -4.922 -3.234 3.352 1.00 25.10 C ATOM 1443 CE1 PHE A 85 -2.604 -4.506 4.144 1.00 2.03 C ATOM 1444 CE2 PHE A 85 -4.987 -4.484 3.937 1.00 41.02 C ATOM 1445 CZ PHE A 85 -3.827 -5.121 4.334 1.00 11.14 C ATOM 0 H PHE A 85 -5.337 0.321 4.040 1.00 31.03 H new ATOM 0 HA PHE A 85 -2.461 -0.355 4.087 1.00 73.21 H new ATOM 0 HB2 PHE A 85 -4.568 -1.045 2.004 1.00 51.50 H new ATOM 0 HB3 PHE A 85 -2.844 -1.248 1.764 1.00 51.50 H new ATOM 0 HD1 PHE A 85 -1.587 -2.779 3.415 1.00 61.40 H new ATOM 0 HD2 PHE A 85 -5.832 -2.740 3.045 1.00 25.10 H new ATOM 0 HE1 PHE A 85 -1.696 -5.002 4.452 1.00 2.03 H new ATOM 0 HE2 PHE A 85 -5.944 -4.963 4.084 1.00 41.02 H new ATOM 0 HZ PHE A 85 -3.876 -6.098 4.792 1.00 11.14 H new ATOM 1455 N VAL A 86 -2.267 2.030 3.342 1.00 74.42 N ATOM 1456 CA VAL A 86 -1.826 3.236 2.670 1.00 22.52 C ATOM 1457 C VAL A 86 -0.615 2.922 1.802 1.00 65.50 C ATOM 1458 O VAL A 86 0.489 2.708 2.302 1.00 40.11 O ATOM 1459 CB VAL A 86 -1.488 4.359 3.673 1.00 62.40 C ATOM 1460 CG1 VAL A 86 -0.896 5.569 2.964 1.00 1.54 C ATOM 1461 CG2 VAL A 86 -2.732 4.758 4.451 1.00 10.41 C ATOM 0 H VAL A 86 -1.875 1.897 4.274 1.00 74.42 H new ATOM 0 HA VAL A 86 -2.644 3.594 2.044 1.00 22.52 H new ATOM 0 HB VAL A 86 -0.741 3.979 4.369 1.00 62.40 H new ATOM 0 HG11 VAL A 86 -0.668 6.344 3.696 1.00 1.54 H new ATOM 0 HG12 VAL A 86 0.018 5.277 2.448 1.00 1.54 H new ATOM 0 HG13 VAL A 86 -1.614 5.954 2.240 1.00 1.54 H new ATOM 0 HG21 VAL A 86 -2.482 5.551 5.156 1.00 10.41 H new ATOM 0 HG22 VAL A 86 -3.495 5.115 3.759 1.00 10.41 H new ATOM 0 HG23 VAL A 86 -3.112 3.895 4.997 1.00 10.41 H new ATOM 1471 N VAL A 87 -0.842 2.851 0.502 1.00 32.22 N ATOM 1472 CA VAL A 87 0.217 2.546 -0.443 1.00 20.14 C ATOM 1473 C VAL A 87 0.852 3.833 -0.945 1.00 24.30 C ATOM 1474 O VAL A 87 0.153 4.761 -1.346 1.00 61.22 O ATOM 1475 CB VAL A 87 -0.318 1.731 -1.641 1.00 34.12 C ATOM 1476 CG1 VAL A 87 0.799 1.379 -2.613 1.00 33.11 C ATOM 1477 CG2 VAL A 87 -1.019 0.469 -1.161 1.00 4.13 C ATOM 0 H VAL A 87 -1.756 3.002 0.075 1.00 32.22 H new ATOM 0 HA VAL A 87 0.965 1.945 0.074 1.00 20.14 H new ATOM 0 HB VAL A 87 -1.041 2.353 -2.169 1.00 34.12 H new ATOM 0 HG11 VAL A 87 0.390 0.806 -3.445 1.00 33.11 H new ATOM 0 HG12 VAL A 87 1.254 2.294 -2.992 1.00 33.11 H new ATOM 0 HG13 VAL A 87 1.555 0.785 -2.099 1.00 33.11 H new ATOM 0 HG21 VAL A 87 -1.389 -0.091 -2.020 1.00 4.13 H new ATOM 0 HG22 VAL A 87 -0.316 -0.147 -0.601 1.00 4.13 H new ATOM 0 HG23 VAL A 87 -1.856 0.740 -0.517 1.00 4.13 H new ATOM 1487 N VAL A 88 2.170 3.895 -0.912 1.00 44.30 N ATOM 1488 CA VAL A 88 2.878 5.080 -1.364 1.00 41.03 C ATOM 1489 C VAL A 88 3.669 4.778 -2.629 1.00 20.44 C ATOM 1490 O VAL A 88 4.684 4.077 -2.593 1.00 40.14 O ATOM 1491 CB VAL A 88 3.831 5.630 -0.280 1.00 11.21 C ATOM 1492 CG1 VAL A 88 4.508 6.905 -0.761 1.00 23.32 C ATOM 1493 CG2 VAL A 88 3.079 5.882 1.020 1.00 3.44 C ATOM 0 H VAL A 88 2.771 3.142 -0.578 1.00 44.30 H new ATOM 0 HA VAL A 88 2.127 5.841 -1.575 1.00 41.03 H new ATOM 0 HB VAL A 88 4.601 4.882 -0.090 1.00 11.21 H new ATOM 0 HG11 VAL A 88 5.176 7.278 0.016 1.00 23.32 H new ATOM 0 HG12 VAL A 88 5.083 6.694 -1.663 1.00 23.32 H new ATOM 0 HG13 VAL A 88 3.751 7.658 -0.981 1.00 23.32 H new ATOM 0 HG21 VAL A 88 3.769 6.269 1.770 1.00 3.44 H new ATOM 0 HG22 VAL A 88 2.286 6.609 0.846 1.00 3.44 H new ATOM 0 HG23 VAL A 88 2.643 4.948 1.375 1.00 3.44 H new ATOM 1503 N ALA A 89 3.185 5.291 -3.749 1.00 70.50 N ATOM 1504 CA ALA A 89 3.871 5.124 -5.017 1.00 4.23 C ATOM 1505 C ALA A 89 5.122 5.989 -5.043 1.00 74.30 C ATOM 1506 O ALA A 89 5.049 7.200 -4.838 1.00 32.31 O ATOM 1507 CB ALA A 89 2.948 5.479 -6.172 1.00 24.40 C ATOM 0 H ALA A 89 2.319 5.827 -3.804 1.00 70.50 H new ATOM 0 HA ALA A 89 4.164 4.080 -5.127 1.00 4.23 H new ATOM 0 HB1 ALA A 89 3.479 5.348 -7.115 1.00 24.40 H new ATOM 0 HB2 ALA A 89 2.075 4.827 -6.153 1.00 24.40 H new ATOM 0 HB3 ALA A 89 2.628 6.517 -6.077 1.00 24.40 H new ATOM 1513 N LYS A 90 6.265 5.366 -5.282 1.00 74.32 N ATOM 1514 CA LYS A 90 7.537 6.072 -5.262 1.00 45.22 C ATOM 1515 C LYS A 90 7.814 6.705 -6.617 1.00 62.43 C ATOM 1516 O LYS A 90 7.085 6.476 -7.586 1.00 44.33 O ATOM 1517 CB LYS A 90 8.676 5.111 -4.900 1.00 31.31 C ATOM 1518 CG LYS A 90 8.509 4.397 -3.564 1.00 64.42 C ATOM 1519 CD LYS A 90 9.003 5.232 -2.387 1.00 62.31 C ATOM 1520 CE LYS A 90 7.998 6.290 -1.962 1.00 15.50 C ATOM 1521 NZ LYS A 90 8.482 7.069 -0.791 1.00 74.11 N ATOM 0 H LYS A 90 6.338 4.371 -5.493 1.00 74.32 H new ATOM 0 HA LYS A 90 7.480 6.857 -4.508 1.00 45.22 H new ATOM 0 HB2 LYS A 90 8.765 4.363 -5.687 1.00 31.31 H new ATOM 0 HB3 LYS A 90 9.612 5.669 -4.883 1.00 31.31 H new ATOM 0 HG2 LYS A 90 7.457 4.153 -3.416 1.00 64.42 H new ATOM 0 HG3 LYS A 90 9.054 3.454 -3.590 1.00 64.42 H new ATOM 0 HD2 LYS A 90 9.213 4.575 -1.543 1.00 62.31 H new ATOM 0 HD3 LYS A 90 9.942 5.715 -2.657 1.00 62.31 H new ATOM 0 HE2 LYS A 90 7.807 6.966 -2.795 1.00 15.50 H new ATOM 0 HE3 LYS A 90 7.050 5.813 -1.715 1.00 15.50 H new ATOM 0 HZ1 LYS A 90 7.770 7.781 -0.530 1.00 74.11 H new ATOM 0 HZ2 LYS A 90 8.640 6.427 0.012 1.00 74.11 H new ATOM 0 HZ3 LYS A 90 9.374 7.545 -1.035 1.00 74.11 H new ATOM 1535 N LYS A 91 8.867 7.504 -6.682 1.00 75.14 N ATOM 1536 CA LYS A 91 9.285 8.110 -7.930 1.00 30.14 C ATOM 1537 C LYS A 91 9.955 7.048 -8.792 1.00 50.54 C ATOM 1538 O LYS A 91 11.075 6.618 -8.511 1.00 3.32 O ATOM 1539 CB LYS A 91 10.239 9.284 -7.650 1.00 44.42 C ATOM 1540 CG LYS A 91 10.416 10.259 -8.813 1.00 75.30 C ATOM 1541 CD LYS A 91 11.286 9.693 -9.927 1.00 32.11 C ATOM 1542 CE LYS A 91 12.686 9.368 -9.435 1.00 73.24 C ATOM 1543 NZ LYS A 91 13.560 8.875 -10.530 1.00 52.02 N ATOM 0 H LYS A 91 9.448 7.747 -5.880 1.00 75.14 H new ATOM 0 HA LYS A 91 8.421 8.505 -8.465 1.00 30.14 H new ATOM 0 HB2 LYS A 91 9.870 9.835 -6.785 1.00 44.42 H new ATOM 0 HB3 LYS A 91 11.216 8.883 -7.379 1.00 44.42 H new ATOM 0 HG2 LYS A 91 9.437 10.517 -9.217 1.00 75.30 H new ATOM 0 HG3 LYS A 91 10.862 11.182 -8.443 1.00 75.30 H new ATOM 0 HD2 LYS A 91 10.823 8.792 -10.328 1.00 32.11 H new ATOM 0 HD3 LYS A 91 11.345 10.412 -10.744 1.00 32.11 H new ATOM 0 HE2 LYS A 91 13.130 10.259 -8.990 1.00 73.24 H new ATOM 0 HE3 LYS A 91 12.628 8.614 -8.650 1.00 73.24 H new ATOM 0 HZ1 LYS A 91 14.506 8.665 -10.152 1.00 52.02 H new ATOM 0 HZ2 LYS A 91 13.151 8.011 -10.938 1.00 52.02 H new ATOM 0 HZ3 LYS A 91 13.636 9.604 -11.268 1.00 52.02 H new ATOM 1557 N GLY A 92 9.249 6.605 -9.818 1.00 72.05 N ATOM 1558 CA GLY A 92 9.787 5.592 -10.699 1.00 44.44 C ATOM 1559 C GLY A 92 8.727 4.629 -11.193 1.00 45.23 C ATOM 1560 O GLY A 92 8.911 3.974 -12.214 1.00 61.12 O ATOM 0 H GLY A 92 8.312 6.929 -10.057 1.00 72.05 H new ATOM 0 HA2 GLY A 92 10.262 6.074 -11.554 1.00 44.44 H new ATOM 0 HA3 GLY A 92 10.563 5.035 -10.175 1.00 44.44 H new ATOM 1564 N VAL A 93 7.610 4.551 -10.476 1.00 44.13 N ATOM 1565 CA VAL A 93 6.524 3.651 -10.857 1.00 53.24 C ATOM 1566 C VAL A 93 5.910 4.071 -12.197 1.00 74.24 C ATOM 1567 O VAL A 93 5.407 3.244 -12.956 1.00 43.15 O ATOM 1568 CB VAL A 93 5.429 3.593 -9.761 1.00 52.03 C ATOM 1569 CG1 VAL A 93 4.772 4.953 -9.561 1.00 13.35 C ATOM 1570 CG2 VAL A 93 4.389 2.529 -10.087 1.00 35.12 C ATOM 0 H VAL A 93 7.432 5.096 -9.632 1.00 44.13 H new ATOM 0 HA VAL A 93 6.949 2.653 -10.966 1.00 53.24 H new ATOM 0 HB VAL A 93 5.913 3.318 -8.824 1.00 52.03 H new ATOM 0 HG11 VAL A 93 4.009 4.878 -8.786 1.00 13.35 H new ATOM 0 HG12 VAL A 93 5.526 5.680 -9.259 1.00 13.35 H new ATOM 0 HG13 VAL A 93 4.311 5.275 -10.495 1.00 13.35 H new ATOM 0 HG21 VAL A 93 3.632 2.508 -9.303 1.00 35.12 H new ATOM 0 HG22 VAL A 93 3.917 2.762 -11.041 1.00 35.12 H new ATOM 0 HG23 VAL A 93 4.873 1.554 -10.150 1.00 35.12 H new ATOM 1580 N ALA A 94 5.992 5.360 -12.502 1.00 54.41 N ATOM 1581 CA ALA A 94 5.428 5.891 -13.734 1.00 3.32 C ATOM 1582 C ALA A 94 6.453 5.865 -14.861 1.00 21.02 C ATOM 1583 O ALA A 94 6.269 6.503 -15.899 1.00 30.43 O ATOM 1584 CB ALA A 94 4.926 7.306 -13.510 1.00 2.11 C ATOM 0 H ALA A 94 6.445 6.057 -11.911 1.00 54.41 H new ATOM 0 HA ALA A 94 4.590 5.259 -14.026 1.00 3.32 H new ATOM 0 HB1 ALA A 94 4.506 7.694 -14.438 1.00 2.11 H new ATOM 0 HB2 ALA A 94 4.157 7.301 -12.738 1.00 2.11 H new ATOM 0 HB3 ALA A 94 5.754 7.940 -13.193 1.00 2.11 H new ATOM 1590 N ASP A 95 7.533 5.127 -14.652 1.00 24.53 N ATOM 1591 CA ASP A 95 8.581 5.002 -15.656 1.00 44.22 C ATOM 1592 C ASP A 95 8.360 3.731 -16.472 1.00 14.51 C ATOM 1593 O ASP A 95 9.004 3.504 -17.500 1.00 74.55 O ATOM 1594 CB ASP A 95 9.953 4.970 -14.975 1.00 53.32 C ATOM 1595 CG ASP A 95 11.103 5.156 -15.945 1.00 53.23 C ATOM 1596 OD1 ASP A 95 11.469 6.319 -16.218 1.00 32.21 O ATOM 1597 OD2 ASP A 95 11.668 4.147 -16.413 1.00 22.32 O ATOM 0 H ASP A 95 7.708 4.604 -13.794 1.00 24.53 H new ATOM 0 HA ASP A 95 8.546 5.861 -16.326 1.00 44.22 H new ATOM 0 HB2 ASP A 95 9.994 5.753 -14.218 1.00 53.32 H new ATOM 0 HB3 ASP A 95 10.073 4.018 -14.457 1.00 53.32 H new ATOM 1602 N LEU A 96 7.420 2.916 -16.010 1.00 60.54 N ATOM 1603 CA LEU A 96 7.128 1.637 -16.640 1.00 13.11 C ATOM 1604 C LEU A 96 6.207 1.799 -17.842 1.00 63.22 C ATOM 1605 O LEU A 96 5.669 2.878 -18.104 1.00 42.44 O ATOM 1606 CB LEU A 96 6.472 0.680 -15.642 1.00 11.32 C ATOM 1607 CG LEU A 96 7.324 0.289 -14.437 1.00 35.44 C ATOM 1608 CD1 LEU A 96 6.559 -0.675 -13.546 1.00 22.55 C ATOM 1609 CD2 LEU A 96 8.638 -0.331 -14.888 1.00 2.42 C ATOM 0 H LEU A 96 6.843 3.122 -15.194 1.00 60.54 H new ATOM 0 HA LEU A 96 8.079 1.226 -16.978 1.00 13.11 H new ATOM 0 HB2 LEU A 96 5.552 1.138 -15.279 1.00 11.32 H new ATOM 0 HB3 LEU A 96 6.188 -0.229 -16.172 1.00 11.32 H new ATOM 0 HG LEU A 96 7.551 1.189 -13.865 1.00 35.44 H new ATOM 0 HD11 LEU A 96 7.176 -0.947 -12.690 1.00 22.55 H new ATOM 0 HD12 LEU A 96 5.643 -0.198 -13.196 1.00 22.55 H new ATOM 0 HD13 LEU A 96 6.308 -1.572 -14.112 1.00 22.55 H new ATOM 0 HD21 LEU A 96 9.231 -0.603 -14.015 1.00 2.42 H new ATOM 0 HD22 LEU A 96 8.435 -1.223 -15.481 1.00 2.42 H new ATOM 0 HD23 LEU A 96 9.191 0.388 -15.492 1.00 2.42 H new ATOM 1621 N ASP A 97 6.032 0.705 -18.563 1.00 2.42 N ATOM 1622 CA ASP A 97 5.115 0.651 -19.691 1.00 4.04 C ATOM 1623 C ASP A 97 3.733 0.227 -19.198 1.00 21.31 C ATOM 1624 O ASP A 97 3.617 -0.373 -18.129 1.00 74.33 O ATOM 1625 CB ASP A 97 5.640 -0.347 -20.729 1.00 42.34 C ATOM 1626 CG ASP A 97 4.784 -0.413 -21.977 1.00 34.13 C ATOM 1627 OD1 ASP A 97 3.807 -1.188 -21.993 1.00 21.45 O ATOM 1628 OD2 ASP A 97 5.085 0.312 -22.947 1.00 34.11 O ATOM 0 H ASP A 97 6.521 -0.172 -18.384 1.00 2.42 H new ATOM 0 HA ASP A 97 5.040 1.634 -20.155 1.00 4.04 H new ATOM 0 HB2 ASP A 97 6.657 -0.071 -21.008 1.00 42.34 H new ATOM 0 HB3 ASP A 97 5.691 -1.338 -20.278 1.00 42.34 H new ATOM 1633 N ASN A 98 2.692 0.537 -19.969 1.00 13.13 N ATOM 1634 CA ASN A 98 1.323 0.155 -19.610 1.00 71.23 C ATOM 1635 C ASN A 98 1.224 -1.359 -19.413 1.00 72.52 C ATOM 1636 O ASN A 98 0.481 -1.846 -18.556 1.00 22.10 O ATOM 1637 CB ASN A 98 0.342 0.607 -20.697 1.00 25.42 C ATOM 1638 CG ASN A 98 -1.109 0.362 -20.322 1.00 24.15 C ATOM 1639 OD1 ASN A 98 -1.487 0.437 -19.153 1.00 14.33 O ATOM 1640 ND2 ASN A 98 -1.928 0.056 -21.313 1.00 74.03 N ATOM 0 H ASN A 98 2.768 1.051 -20.846 1.00 13.13 H new ATOM 0 HA ASN A 98 1.063 0.648 -18.673 1.00 71.23 H new ATOM 0 HB2 ASN A 98 0.487 1.670 -20.891 1.00 25.42 H new ATOM 0 HB3 ASN A 98 0.567 0.080 -21.624 1.00 25.42 H new ATOM 0 HD21 ASN A 98 -2.913 -0.128 -21.122 1.00 74.03 H new ATOM 0 HD22 ASN A 98 -1.575 0.004 -22.269 1.00 74.03 H new ATOM 1647 N ARG A 99 1.992 -2.095 -20.207 1.00 30.01 N ATOM 1648 CA ARG A 99 2.088 -3.543 -20.069 1.00 62.41 C ATOM 1649 C ARG A 99 2.802 -3.901 -18.769 1.00 61.55 C ATOM 1650 O ARG A 99 2.349 -4.761 -18.012 1.00 71.12 O ATOM 1651 CB ARG A 99 2.845 -4.134 -21.268 1.00 31.12 C ATOM 1652 CG ARG A 99 3.299 -5.575 -21.070 1.00 13.14 C ATOM 1653 CD ARG A 99 4.043 -6.103 -22.288 1.00 42.20 C ATOM 1654 NE ARG A 99 5.145 -5.229 -22.693 1.00 21.02 N ATOM 1655 CZ ARG A 99 6.216 -5.639 -23.376 1.00 51.31 C ATOM 1656 NH1 ARG A 99 6.353 -6.918 -23.714 1.00 43.11 N ATOM 1657 NH2 ARG A 99 7.143 -4.759 -23.737 1.00 14.33 N ATOM 0 H ARG A 99 2.562 -1.709 -20.959 1.00 30.01 H new ATOM 0 HA ARG A 99 1.083 -3.963 -20.043 1.00 62.41 H new ATOM 0 HB2 ARG A 99 2.204 -4.084 -22.148 1.00 31.12 H new ATOM 0 HB3 ARG A 99 3.718 -3.515 -21.474 1.00 31.12 H new ATOM 0 HG2 ARG A 99 3.945 -5.636 -20.194 1.00 13.14 H new ATOM 0 HG3 ARG A 99 2.432 -6.206 -20.871 1.00 13.14 H new ATOM 0 HD2 ARG A 99 4.433 -7.097 -22.069 1.00 42.20 H new ATOM 0 HD3 ARG A 99 3.345 -6.211 -23.118 1.00 42.20 H new ATOM 0 HE ARG A 99 5.091 -4.243 -22.437 1.00 21.02 H new ATOM 0 HH11 ARG A 99 5.636 -7.595 -23.451 1.00 43.11 H new ATOM 0 HH12 ARG A 99 7.175 -7.222 -24.236 1.00 43.11 H new ATOM 0 HH21 ARG A 99 7.035 -3.775 -23.492 1.00 14.33 H new ATOM 0 HH22 ARG A 99 7.963 -5.067 -24.259 1.00 14.33 H new ATOM 1671 N ALA A 100 3.901 -3.201 -18.506 1.00 35.22 N ATOM 1672 CA ALA A 100 4.758 -3.490 -17.360 1.00 51.31 C ATOM 1673 C ALA A 100 4.058 -3.188 -16.037 1.00 40.14 C ATOM 1674 O ALA A 100 4.450 -3.706 -14.991 1.00 2.11 O ATOM 1675 CB ALA A 100 6.056 -2.704 -17.464 1.00 54.31 C ATOM 0 H ALA A 100 4.222 -2.420 -19.078 1.00 35.22 H new ATOM 0 HA ALA A 100 4.982 -4.557 -17.375 1.00 51.31 H new ATOM 0 HB1 ALA A 100 6.687 -2.928 -16.604 1.00 54.31 H new ATOM 0 HB2 ALA A 100 6.578 -2.983 -18.379 1.00 54.31 H new ATOM 0 HB3 ALA A 100 5.835 -1.637 -17.484 1.00 54.31 H new ATOM 1681 N LEU A 101 3.031 -2.346 -16.085 1.00 45.44 N ATOM 1682 CA LEU A 101 2.245 -2.036 -14.896 1.00 45.11 C ATOM 1683 C LEU A 101 1.585 -3.300 -14.359 1.00 50.44 C ATOM 1684 O LEU A 101 1.621 -3.574 -13.160 1.00 31.24 O ATOM 1685 CB LEU A 101 1.182 -0.983 -15.211 1.00 35.45 C ATOM 1686 CG LEU A 101 1.722 0.373 -15.670 1.00 40.11 C ATOM 1687 CD1 LEU A 101 0.578 1.306 -16.031 1.00 41.31 C ATOM 1688 CD2 LEU A 101 2.596 1.000 -14.593 1.00 32.53 C ATOM 0 H LEU A 101 2.724 -1.867 -16.932 1.00 45.44 H new ATOM 0 HA LEU A 101 2.915 -1.634 -14.136 1.00 45.11 H new ATOM 0 HB2 LEU A 101 0.524 -1.375 -15.987 1.00 35.45 H new ATOM 0 HB3 LEU A 101 0.571 -0.830 -14.322 1.00 35.45 H new ATOM 0 HG LEU A 101 2.334 0.212 -16.557 1.00 40.11 H new ATOM 0 HD11 LEU A 101 0.980 2.266 -16.355 1.00 41.31 H new ATOM 0 HD12 LEU A 101 -0.009 0.867 -16.838 1.00 41.31 H new ATOM 0 HD13 LEU A 101 -0.059 1.455 -15.159 1.00 41.31 H new ATOM 0 HD21 LEU A 101 2.969 1.963 -14.942 1.00 32.53 H new ATOM 0 HD22 LEU A 101 2.009 1.145 -13.686 1.00 32.53 H new ATOM 0 HD23 LEU A 101 3.438 0.342 -14.378 1.00 32.53 H new ATOM 1700 N SER A 102 1.001 -4.081 -15.261 1.00 14.33 N ATOM 1701 CA SER A 102 0.379 -5.342 -14.888 1.00 43.40 C ATOM 1702 C SER A 102 1.447 -6.383 -14.557 1.00 42.41 C ATOM 1703 O SER A 102 1.245 -7.248 -13.706 1.00 43.50 O ATOM 1704 CB SER A 102 -0.516 -5.839 -16.025 1.00 51.24 C ATOM 1705 OG SER A 102 -1.470 -4.854 -16.394 1.00 62.14 O ATOM 0 H SER A 102 0.946 -3.861 -16.256 1.00 14.33 H new ATOM 0 HA SER A 102 -0.235 -5.184 -14.001 1.00 43.40 H new ATOM 0 HB2 SER A 102 0.097 -6.097 -16.888 1.00 51.24 H new ATOM 0 HB3 SER A 102 -1.030 -6.749 -15.716 1.00 51.24 H new ATOM 0 HG SER A 102 -2.028 -5.196 -17.123 1.00 62.14 H new ATOM 1711 N GLU A 103 2.594 -6.271 -15.218 1.00 73.11 N ATOM 1712 CA GLU A 103 3.706 -7.192 -15.003 1.00 4.42 C ATOM 1713 C GLU A 103 4.284 -7.040 -13.597 1.00 23.20 C ATOM 1714 O GLU A 103 4.806 -7.994 -13.020 1.00 10.30 O ATOM 1715 CB GLU A 103 4.800 -6.937 -16.038 1.00 51.05 C ATOM 1716 CG GLU A 103 4.347 -7.142 -17.474 1.00 15.30 C ATOM 1717 CD GLU A 103 4.057 -8.590 -17.794 1.00 64.01 C ATOM 1718 OE1 GLU A 103 2.915 -9.043 -17.574 1.00 71.11 O ATOM 1719 OE2 GLU A 103 4.978 -9.286 -18.272 1.00 24.10 O ATOM 0 H GLU A 103 2.779 -5.547 -15.912 1.00 73.11 H new ATOM 0 HA GLU A 103 3.329 -8.209 -15.111 1.00 4.42 H new ATOM 0 HB2 GLU A 103 5.164 -5.916 -15.924 1.00 51.05 H new ATOM 0 HB3 GLU A 103 5.641 -7.600 -15.834 1.00 51.05 H new ATOM 0 HG2 GLU A 103 3.452 -6.548 -17.656 1.00 15.30 H new ATOM 0 HG3 GLU A 103 5.118 -6.772 -18.150 1.00 15.30 H new ATOM 1726 N ALA A 104 4.190 -5.831 -13.054 1.00 54.00 N ATOM 1727 CA ALA A 104 4.705 -5.547 -11.720 1.00 73.33 C ATOM 1728 C ALA A 104 3.644 -5.804 -10.657 1.00 1.33 C ATOM 1729 O ALA A 104 3.950 -5.872 -9.465 1.00 72.44 O ATOM 1730 CB ALA A 104 5.200 -4.108 -11.639 1.00 63.24 C ATOM 0 H ALA A 104 3.761 -5.031 -13.519 1.00 54.00 H new ATOM 0 HA ALA A 104 5.543 -6.218 -11.530 1.00 73.33 H new ATOM 0 HB1 ALA A 104 5.582 -3.910 -10.637 1.00 63.24 H new ATOM 0 HB2 ALA A 104 5.996 -3.956 -12.367 1.00 63.24 H new ATOM 0 HB3 ALA A 104 4.376 -3.427 -11.854 1.00 63.24 H new ATOM 1736 N LEU A 105 2.401 -5.961 -11.100 1.00 44.25 N ATOM 1737 CA LEU A 105 1.279 -6.164 -10.192 1.00 23.13 C ATOM 1738 C LEU A 105 1.440 -7.462 -9.409 1.00 45.11 C ATOM 1739 O LEU A 105 1.370 -7.466 -8.181 1.00 64.23 O ATOM 1740 CB LEU A 105 -0.041 -6.176 -10.968 1.00 53.14 C ATOM 1741 CG LEU A 105 -1.297 -6.412 -10.124 1.00 0.34 C ATOM 1742 CD1 LEU A 105 -1.448 -5.322 -9.074 1.00 70.33 C ATOM 1743 CD2 LEU A 105 -2.525 -6.470 -11.020 1.00 75.11 C ATOM 0 H LEU A 105 2.145 -5.951 -12.087 1.00 44.25 H new ATOM 0 HA LEU A 105 1.264 -5.336 -9.483 1.00 23.13 H new ATOM 0 HB2 LEU A 105 -0.146 -5.223 -11.487 1.00 53.14 H new ATOM 0 HB3 LEU A 105 0.013 -6.951 -11.732 1.00 53.14 H new ATOM 0 HG LEU A 105 -1.198 -7.367 -9.608 1.00 0.34 H new ATOM 0 HD11 LEU A 105 -2.346 -5.507 -8.484 1.00 70.33 H new ATOM 0 HD12 LEU A 105 -0.577 -5.325 -8.419 1.00 70.33 H new ATOM 0 HD13 LEU A 105 -1.530 -4.352 -9.565 1.00 70.33 H new ATOM 0 HD21 LEU A 105 -3.413 -6.638 -10.410 1.00 75.11 H new ATOM 0 HD22 LEU A 105 -2.628 -5.528 -11.558 1.00 75.11 H new ATOM 0 HD23 LEU A 105 -2.416 -7.286 -11.735 1.00 75.11 H new ATOM 1755 N GLU A 106 1.680 -8.558 -10.121 1.00 52.00 N ATOM 1756 CA GLU A 106 1.819 -9.861 -9.484 1.00 4.32 C ATOM 1757 C GLU A 106 3.057 -9.895 -8.587 1.00 73.53 C ATOM 1758 O GLU A 106 3.111 -10.656 -7.615 1.00 34.21 O ATOM 1759 CB GLU A 106 1.868 -10.977 -10.541 1.00 52.35 C ATOM 1760 CG GLU A 106 3.075 -10.918 -11.468 1.00 42.13 C ATOM 1761 CD GLU A 106 4.093 -12.003 -11.174 1.00 73.25 C ATOM 1762 OE1 GLU A 106 4.772 -11.920 -10.132 1.00 54.12 O ATOM 1763 OE2 GLU A 106 4.228 -12.941 -11.992 1.00 51.22 O ATOM 0 H GLU A 106 1.782 -8.570 -11.136 1.00 52.00 H new ATOM 0 HA GLU A 106 0.946 -10.032 -8.854 1.00 4.32 H new ATOM 0 HB2 GLU A 106 1.863 -11.941 -10.033 1.00 52.35 H new ATOM 0 HB3 GLU A 106 0.961 -10.929 -11.143 1.00 52.35 H new ATOM 0 HG2 GLU A 106 2.739 -11.011 -12.501 1.00 42.13 H new ATOM 0 HG3 GLU A 106 3.552 -9.943 -11.374 1.00 42.13 H new ATOM 1770 N LYS A 107 4.038 -9.046 -8.900 1.00 11.43 N ATOM 1771 CA LYS A 107 5.268 -8.981 -8.122 1.00 40.21 C ATOM 1772 C LYS A 107 4.976 -8.467 -6.720 1.00 20.54 C ATOM 1773 O LYS A 107 5.342 -9.098 -5.729 1.00 62.12 O ATOM 1774 CB LYS A 107 6.305 -8.070 -8.791 1.00 61.31 C ATOM 1775 CG LYS A 107 6.561 -8.376 -10.260 1.00 43.22 C ATOM 1776 CD LYS A 107 6.998 -9.816 -10.492 1.00 61.12 C ATOM 1777 CE LYS A 107 8.303 -10.152 -9.786 1.00 73.11 C ATOM 1778 NZ LYS A 107 8.843 -11.463 -10.238 1.00 74.43 N ATOM 0 H LYS A 107 4.001 -8.397 -9.686 1.00 11.43 H new ATOM 0 HA LYS A 107 5.677 -9.990 -8.067 1.00 40.21 H new ATOM 0 HB2 LYS A 107 5.973 -7.036 -8.701 1.00 61.31 H new ATOM 0 HB3 LYS A 107 7.246 -8.151 -8.247 1.00 61.31 H new ATOM 0 HG2 LYS A 107 5.654 -8.179 -10.831 1.00 43.22 H new ATOM 0 HG3 LYS A 107 7.329 -7.702 -10.639 1.00 43.22 H new ATOM 0 HD2 LYS A 107 6.216 -10.490 -10.142 1.00 61.12 H new ATOM 0 HD3 LYS A 107 7.113 -9.989 -11.562 1.00 61.12 H new ATOM 0 HE2 LYS A 107 9.036 -9.369 -9.980 1.00 73.11 H new ATOM 0 HE3 LYS A 107 8.140 -10.176 -8.709 1.00 73.11 H new ATOM 0 HZ1 LYS A 107 9.733 -11.663 -9.738 1.00 74.43 H new ATOM 0 HZ2 LYS A 107 8.153 -12.213 -10.030 1.00 74.43 H new ATOM 0 HZ3 LYS A 107 9.021 -11.431 -11.262 1.00 74.43 H new ATOM 1792 N LEU A 108 4.300 -7.325 -6.647 1.00 40.11 N ATOM 1793 CA LEU A 108 3.982 -6.707 -5.366 1.00 63.24 C ATOM 1794 C LEU A 108 2.871 -7.474 -4.652 1.00 40.53 C ATOM 1795 O LEU A 108 2.843 -7.540 -3.421 1.00 21.33 O ATOM 1796 CB LEU A 108 3.607 -5.227 -5.565 1.00 43.34 C ATOM 1797 CG LEU A 108 2.436 -4.940 -6.517 1.00 23.23 C ATOM 1798 CD1 LEU A 108 1.103 -4.985 -5.783 1.00 11.13 C ATOM 1799 CD2 LEU A 108 2.623 -3.594 -7.198 1.00 64.32 C ATOM 0 H LEU A 108 3.962 -6.809 -7.460 1.00 40.11 H new ATOM 0 HA LEU A 108 4.867 -6.748 -4.731 1.00 63.24 H new ATOM 0 HB2 LEU A 108 3.367 -4.802 -4.591 1.00 43.34 H new ATOM 0 HB3 LEU A 108 4.486 -4.699 -5.936 1.00 43.34 H new ATOM 0 HG LEU A 108 2.425 -5.720 -7.279 1.00 23.23 H new ATOM 0 HD11 LEU A 108 0.294 -4.778 -6.484 1.00 11.13 H new ATOM 0 HD12 LEU A 108 0.961 -5.974 -5.347 1.00 11.13 H new ATOM 0 HD13 LEU A 108 1.098 -4.235 -4.992 1.00 11.13 H new ATOM 0 HD21 LEU A 108 1.785 -3.406 -7.869 1.00 64.32 H new ATOM 0 HD22 LEU A 108 2.668 -2.808 -6.444 1.00 64.32 H new ATOM 0 HD23 LEU A 108 3.551 -3.601 -7.770 1.00 64.32 H new ATOM 1811 N TRP A 109 1.971 -8.065 -5.433 1.00 35.52 N ATOM 1812 CA TRP A 109 0.879 -8.855 -4.882 1.00 21.53 C ATOM 1813 C TRP A 109 1.423 -10.034 -4.087 1.00 14.22 C ATOM 1814 O TRP A 109 1.156 -10.162 -2.892 1.00 2.13 O ATOM 1815 CB TRP A 109 -0.044 -9.344 -6.003 1.00 41.34 C ATOM 1816 CG TRP A 109 -1.121 -10.276 -5.534 1.00 2.52 C ATOM 1817 CD1 TRP A 109 -2.071 -10.025 -4.587 1.00 35.11 C ATOM 1818 CD2 TRP A 109 -1.358 -11.609 -5.999 1.00 73.40 C ATOM 1819 NE1 TRP A 109 -2.877 -11.126 -4.428 1.00 12.22 N ATOM 1820 CE2 TRP A 109 -2.462 -12.110 -5.285 1.00 44.45 C ATOM 1821 CE3 TRP A 109 -0.743 -12.428 -6.953 1.00 22.45 C ATOM 1822 CZ2 TRP A 109 -2.963 -13.392 -5.494 1.00 14.14 C ATOM 1823 CZ3 TRP A 109 -1.241 -13.701 -7.158 1.00 43.14 C ATOM 1824 CH2 TRP A 109 -2.343 -14.171 -6.433 1.00 53.42 C ATOM 0 H TRP A 109 1.978 -8.010 -6.452 1.00 35.52 H new ATOM 0 HA TRP A 109 0.300 -8.223 -4.208 1.00 21.53 H new ATOM 0 HB2 TRP A 109 -0.506 -8.481 -6.483 1.00 41.34 H new ATOM 0 HB3 TRP A 109 0.555 -9.848 -6.761 1.00 41.34 H new ATOM 0 HD1 TRP A 109 -2.174 -9.098 -4.043 1.00 35.11 H new ATOM 0 HE1 TRP A 109 -3.659 -11.199 -3.777 1.00 12.22 H new ATOM 0 HE3 TRP A 109 0.105 -12.072 -7.519 1.00 22.45 H new ATOM 0 HZ2 TRP A 109 -3.811 -13.759 -4.935 1.00 14.14 H new ATOM 0 HZ3 TRP A 109 -0.773 -14.343 -7.889 1.00 43.14 H new ATOM 0 HH2 TRP A 109 -2.711 -15.169 -6.619 1.00 53.42 H new ATOM 1835 N ARG A 110 2.202 -10.878 -4.749 1.00 11.44 N ATOM 1836 CA ARG A 110 2.790 -12.046 -4.109 1.00 32.15 C ATOM 1837 C ARG A 110 3.732 -11.630 -2.980 1.00 14.13 C ATOM 1838 O ARG A 110 3.777 -12.273 -1.928 1.00 11.31 O ATOM 1839 CB ARG A 110 3.524 -12.893 -5.152 1.00 34.24 C ATOM 1840 CG ARG A 110 4.322 -14.044 -4.567 1.00 22.10 C ATOM 1841 CD ARG A 110 4.862 -14.949 -5.660 1.00 24.34 C ATOM 1842 NE ARG A 110 3.799 -15.730 -6.288 1.00 54.32 N ATOM 1843 CZ ARG A 110 3.716 -15.962 -7.597 1.00 31.30 C ATOM 1844 NH1 ARG A 110 4.638 -15.481 -8.418 1.00 51.24 N ATOM 1845 NH2 ARG A 110 2.722 -16.687 -8.083 1.00 5.33 N ATOM 0 H ARG A 110 2.442 -10.774 -5.735 1.00 11.44 H new ATOM 0 HA ARG A 110 1.993 -12.646 -3.669 1.00 32.15 H new ATOM 0 HB2 ARG A 110 2.796 -13.292 -5.858 1.00 34.24 H new ATOM 0 HB3 ARG A 110 4.197 -12.249 -5.718 1.00 34.24 H new ATOM 0 HG2 ARG A 110 5.149 -13.653 -3.974 1.00 22.10 H new ATOM 0 HG3 ARG A 110 3.691 -14.622 -3.892 1.00 22.10 H new ATOM 0 HD2 ARG A 110 5.366 -14.346 -6.416 1.00 24.34 H new ATOM 0 HD3 ARG A 110 5.609 -15.623 -5.239 1.00 24.34 H new ATOM 0 HE ARG A 110 3.075 -16.122 -5.686 1.00 54.32 H new ATOM 0 HH11 ARG A 110 5.414 -14.932 -8.048 1.00 51.24 H new ATOM 0 HH12 ARG A 110 4.572 -15.660 -9.420 1.00 51.24 H new ATOM 0 HH21 ARG A 110 2.016 -17.070 -7.455 1.00 5.33 H new ATOM 0 HH22 ARG A 110 2.662 -16.863 -9.086 1.00 5.33 H new ATOM 1859 N ARG A 111 4.458 -10.536 -3.197 1.00 24.42 N ATOM 1860 CA ARG A 111 5.378 -10.000 -2.198 1.00 12.34 C ATOM 1861 C ARG A 111 4.665 -9.743 -0.872 1.00 74.54 C ATOM 1862 O ARG A 111 5.090 -10.235 0.175 1.00 12.54 O ATOM 1863 CB ARG A 111 6.020 -8.700 -2.701 1.00 51.33 C ATOM 1864 CG ARG A 111 6.796 -7.945 -1.631 1.00 12.31 C ATOM 1865 CD ARG A 111 8.030 -8.704 -1.170 1.00 31.42 C ATOM 1866 NE ARG A 111 9.095 -8.681 -2.169 1.00 42.14 N ATOM 1867 CZ ARG A 111 10.304 -9.209 -1.977 1.00 41.11 C ATOM 1868 NH1 ARG A 111 10.571 -9.881 -0.864 1.00 53.40 N ATOM 1869 NH2 ARG A 111 11.242 -9.078 -2.906 1.00 40.20 N ATOM 0 H ARG A 111 4.426 -10.000 -4.064 1.00 24.42 H new ATOM 0 HA ARG A 111 6.157 -10.744 -2.033 1.00 12.34 H new ATOM 0 HB2 ARG A 111 6.691 -8.933 -3.527 1.00 51.33 H new ATOM 0 HB3 ARG A 111 5.240 -8.050 -3.098 1.00 51.33 H new ATOM 0 HG2 ARG A 111 7.095 -6.972 -2.021 1.00 12.31 H new ATOM 0 HG3 ARG A 111 6.146 -7.760 -0.776 1.00 12.31 H new ATOM 0 HD2 ARG A 111 8.396 -8.269 -0.240 1.00 31.42 H new ATOM 0 HD3 ARG A 111 7.759 -9.737 -0.953 1.00 31.42 H new ATOM 0 HE ARG A 111 8.903 -8.235 -3.066 1.00 42.14 H new ATOM 0 HH11 ARG A 111 9.850 -9.995 -0.152 1.00 53.40 H new ATOM 0 HH12 ARG A 111 11.497 -10.283 -0.721 1.00 53.40 H new ATOM 0 HH21 ARG A 111 11.039 -8.573 -3.768 1.00 40.20 H new ATOM 0 HH22 ARG A 111 12.167 -9.482 -2.758 1.00 40.20 H new ATOM 1883 N HIS A 112 3.576 -8.986 -0.915 1.00 41.33 N ATOM 1884 CA HIS A 112 2.880 -8.618 0.309 1.00 33.20 C ATOM 1885 C HIS A 112 1.983 -9.758 0.782 1.00 64.42 C ATOM 1886 O HIS A 112 1.718 -9.885 1.974 1.00 20.51 O ATOM 1887 CB HIS A 112 2.061 -7.337 0.115 1.00 63.43 C ATOM 1888 CG HIS A 112 1.866 -6.566 1.387 1.00 30.23 C ATOM 1889 ND1 HIS A 112 2.431 -5.330 1.610 1.00 65.53 N ATOM 1890 CD2 HIS A 112 1.184 -6.873 2.516 1.00 72.33 C ATOM 1891 CE1 HIS A 112 2.113 -4.915 2.823 1.00 53.01 C ATOM 1892 NE2 HIS A 112 1.354 -5.834 3.398 1.00 0.53 N ATOM 0 H HIS A 112 3.161 -8.620 -1.772 1.00 41.33 H new ATOM 0 HA HIS A 112 3.631 -8.426 1.076 1.00 33.20 H new ATOM 0 HB2 HIS A 112 2.560 -6.701 -0.616 1.00 63.43 H new ATOM 0 HB3 HIS A 112 1.087 -7.595 -0.300 1.00 63.43 H new ATOM 0 HD1 HIS A 112 3.005 -4.815 0.943 1.00 65.53 H new ATOM 0 HD2 HIS A 112 0.611 -7.771 2.691 1.00 72.33 H new ATOM 0 HE1 HIS A 112 2.421 -3.982 3.271 1.00 53.01 H new ATOM 1901 N CYS A 113 1.525 -10.588 -0.151 1.00 3.23 N ATOM 1902 CA CYS A 113 0.681 -11.728 0.194 1.00 11.31 C ATOM 1903 C CYS A 113 1.448 -12.708 1.079 1.00 61.04 C ATOM 1904 O CYS A 113 0.915 -13.216 2.067 1.00 62.13 O ATOM 1905 CB CYS A 113 0.185 -12.434 -1.072 1.00 64.32 C ATOM 1906 SG CYS A 113 -1.020 -13.750 -0.773 1.00 21.31 S ATOM 0 H CYS A 113 1.723 -10.493 -1.147 1.00 3.23 H new ATOM 0 HA CYS A 113 -0.184 -11.360 0.746 1.00 11.31 H new ATOM 0 HB2 CYS A 113 -0.262 -11.693 -1.735 1.00 64.32 H new ATOM 0 HB3 CYS A 113 1.042 -12.856 -1.597 1.00 64.32 H new ATOM 0 HG CYS A 113 -1.375 -14.279 -1.906 1.00 21.31 H new ATOM 1912 N ARG A 114 2.711 -12.949 0.731 1.00 75.43 N ATOM 1913 CA ARG A 114 3.570 -13.842 1.503 1.00 73.31 C ATOM 1914 C ARG A 114 3.741 -13.317 2.928 1.00 65.11 C ATOM 1915 O ARG A 114 3.826 -14.090 3.885 1.00 32.52 O ATOM 1916 CB ARG A 114 4.944 -13.969 0.834 1.00 34.12 C ATOM 1917 CG ARG A 114 5.827 -15.052 1.439 1.00 12.53 C ATOM 1918 CD ARG A 114 5.346 -16.446 1.058 1.00 75.32 C ATOM 1919 NE ARG A 114 5.448 -16.679 -0.385 1.00 53.02 N ATOM 1920 CZ ARG A 114 4.761 -17.614 -1.047 1.00 4.01 C ATOM 1921 NH1 ARG A 114 3.920 -18.414 -0.398 1.00 2.13 N ATOM 1922 NH2 ARG A 114 4.929 -17.757 -2.357 1.00 63.11 N ATOM 0 H ARG A 114 3.163 -12.536 -0.085 1.00 75.43 H new ATOM 0 HA ARG A 114 3.098 -14.824 1.540 1.00 73.31 H new ATOM 0 HB2 ARG A 114 4.803 -14.179 -0.226 1.00 34.12 H new ATOM 0 HB3 ARG A 114 5.461 -13.012 0.903 1.00 34.12 H new ATOM 0 HG2 ARG A 114 6.854 -14.916 1.101 1.00 12.53 H new ATOM 0 HG3 ARG A 114 5.833 -14.953 2.524 1.00 12.53 H new ATOM 0 HD2 ARG A 114 5.936 -17.192 1.590 1.00 75.32 H new ATOM 0 HD3 ARG A 114 4.311 -16.573 1.375 1.00 75.32 H new ATOM 0 HE ARG A 114 6.085 -16.088 -0.919 1.00 53.02 H new ATOM 0 HH11 ARG A 114 3.797 -18.315 0.610 1.00 2.13 H new ATOM 0 HH12 ARG A 114 3.398 -19.126 -0.908 1.00 2.13 H new ATOM 0 HH21 ARG A 114 5.582 -17.153 -2.856 1.00 63.11 H new ATOM 0 HH22 ARG A 114 4.405 -18.471 -2.863 1.00 63.11 H new ATOM 1936 N LEU A 115 3.777 -11.998 3.062 1.00 55.14 N ATOM 1937 CA LEU A 115 3.977 -11.369 4.360 1.00 12.14 C ATOM 1938 C LEU A 115 2.668 -11.312 5.145 1.00 71.12 C ATOM 1939 O LEU A 115 2.667 -11.389 6.372 1.00 62.04 O ATOM 1940 CB LEU A 115 4.548 -9.959 4.182 1.00 1.10 C ATOM 1941 CG LEU A 115 5.018 -9.285 5.472 1.00 73.21 C ATOM 1942 CD1 LEU A 115 6.152 -10.082 6.100 1.00 23.24 C ATOM 1943 CD2 LEU A 115 5.457 -7.855 5.200 1.00 45.22 C ATOM 0 H LEU A 115 3.670 -11.343 2.287 1.00 55.14 H new ATOM 0 HA LEU A 115 4.689 -11.971 4.925 1.00 12.14 H new ATOM 0 HB2 LEU A 115 5.388 -10.008 3.489 1.00 1.10 H new ATOM 0 HB3 LEU A 115 3.787 -9.331 3.718 1.00 1.10 H new ATOM 0 HG LEU A 115 4.183 -9.258 6.172 1.00 73.21 H new ATOM 0 HD11 LEU A 115 6.477 -9.591 7.017 1.00 23.24 H new ATOM 0 HD12 LEU A 115 5.805 -11.089 6.331 1.00 23.24 H new ATOM 0 HD13 LEU A 115 6.988 -10.137 5.402 1.00 23.24 H new ATOM 0 HD21 LEU A 115 5.788 -7.393 6.130 1.00 45.22 H new ATOM 0 HD22 LEU A 115 6.278 -7.857 4.483 1.00 45.22 H new ATOM 0 HD23 LEU A 115 4.620 -7.289 4.791 1.00 45.22 H new ATOM 1955 N ALA A 116 1.555 -11.192 4.429 1.00 51.54 N ATOM 1956 CA ALA A 116 0.237 -11.125 5.056 1.00 73.45 C ATOM 1957 C ALA A 116 -0.144 -12.467 5.675 1.00 24.21 C ATOM 1958 O ALA A 116 -0.966 -12.533 6.588 1.00 51.53 O ATOM 1959 CB ALA A 116 -0.813 -10.692 4.041 1.00 11.50 C ATOM 0 H ALA A 116 1.538 -11.139 3.411 1.00 51.54 H new ATOM 0 HA ALA A 116 0.280 -10.384 5.854 1.00 73.45 H new ATOM 0 HB1 ALA A 116 -1.789 -10.647 4.524 1.00 11.50 H new ATOM 0 HB2 ALA A 116 -0.556 -9.708 3.649 1.00 11.50 H new ATOM 0 HB3 ALA A 116 -0.846 -11.411 3.222 1.00 11.50 H new ATOM 1965 N ARG A 117 0.453 -13.536 5.163 1.00 43.25 N ATOM 1966 CA ARG A 117 0.223 -14.870 5.701 1.00 24.12 C ATOM 1967 C ARG A 117 1.110 -15.105 6.918 1.00 41.13 C ATOM 1968 O ARG A 117 0.806 -15.937 7.776 1.00 44.30 O ATOM 1969 CB ARG A 117 0.503 -15.931 4.635 1.00 31.50 C ATOM 1970 CG ARG A 117 -0.309 -15.748 3.362 1.00 10.20 C ATOM 1971 CD ARG A 117 -1.800 -15.861 3.618 1.00 24.30 C ATOM 1972 NE ARG A 117 -2.207 -17.226 3.939 1.00 3.43 N ATOM 1973 CZ ARG A 117 -3.471 -17.586 4.141 1.00 42.14 C ATOM 1974 NH1 ARG A 117 -4.426 -16.666 4.157 1.00 10.20 N ATOM 1975 NH2 ARG A 117 -3.779 -18.859 4.345 1.00 24.43 N ATOM 0 H ARG A 117 1.100 -13.505 4.375 1.00 43.25 H new ATOM 0 HA ARG A 117 -0.821 -14.947 6.004 1.00 24.12 H new ATOM 0 HB2 ARG A 117 1.564 -15.911 4.385 1.00 31.50 H new ATOM 0 HB3 ARG A 117 0.292 -16.916 5.051 1.00 31.50 H new ATOM 0 HG2 ARG A 117 -0.088 -14.773 2.928 1.00 10.20 H new ATOM 0 HG3 ARG A 117 -0.009 -16.498 2.630 1.00 10.20 H new ATOM 0 HD2 ARG A 117 -2.076 -15.200 4.439 1.00 24.30 H new ATOM 0 HD3 ARG A 117 -2.344 -15.520 2.737 1.00 24.30 H new ATOM 0 HE ARG A 117 -1.483 -17.941 4.012 1.00 3.43 H new ATOM 0 HH11 ARG A 117 -4.190 -15.684 4.014 1.00 10.20 H new ATOM 0 HH12 ARG A 117 -5.396 -16.941 4.312 1.00 10.20 H new ATOM 0 HH21 ARG A 117 -3.045 -19.567 4.348 1.00 24.43 H new ATOM 0 HH22 ARG A 117 -4.750 -19.130 4.500 1.00 24.43 H new ATOM 1989 N GLY A 118 2.203 -14.359 6.987 1.00 5.11 N ATOM 1990 CA GLY A 118 3.099 -14.455 8.118 1.00 14.01 C ATOM 1991 C GLY A 118 2.756 -13.439 9.185 1.00 32.14 C ATOM 1992 O GLY A 118 1.635 -13.421 9.693 1.00 71.25 O ATOM 0 H GLY A 118 2.485 -13.686 6.275 1.00 5.11 H new ATOM 0 HA2 GLY A 118 3.048 -15.459 8.540 1.00 14.01 H new ATOM 0 HA3 GLY A 118 4.125 -14.302 7.784 1.00 14.01 H new ATOM 1996 N SER A 119 3.708 -12.586 9.521 1.00 52.34 N ATOM 1997 CA SER A 119 3.486 -11.552 10.517 1.00 20.43 C ATOM 1998 C SER A 119 4.442 -10.388 10.276 1.00 62.32 C ATOM 1999 O SER A 119 5.563 -10.412 10.823 1.00 2.24 O ATOM 2000 CB SER A 119 3.670 -12.124 11.930 1.00 22.42 C ATOM 2001 OG SER A 119 3.349 -11.165 12.927 1.00 62.44 O ATOM 2002 OXT SER A 119 4.074 -9.462 9.526 1.00 0.00 O ATOM 0 H SER A 119 4.645 -12.589 9.117 1.00 52.34 H new ATOM 0 HA SER A 119 2.463 -11.187 10.430 1.00 20.43 H new ATOM 0 HB2 SER A 119 3.037 -13.003 12.053 1.00 22.42 H new ATOM 0 HB3 SER A 119 4.701 -12.453 12.059 1.00 22.42 H new ATOM 0 HG SER A 119 3.475 -11.561 13.814 1.00 62.44 H new TER 2008 SER A 119