USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 1029 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 THR OG1 : rot -170:sc= -0.156 USER MOD Set 1.2: A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 26 SER OG : rot -115:sc= -0.402 USER MOD Set 2.2: A 27 THR OG1 : rot 180:sc= 0.0652 USER MOD Single : A 3 MET CE :methyl -153:sc= -2.75 (180deg=-5.04!) USER MOD Single : A 4 THR OG1 : rot 92:sc= 0.558 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.168 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0119 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= -0.627 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 HIS : no HE2:sc= 0.466 K(o=0.47,f=-5!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 152:sc= -2.03 (180deg=-6!) USER MOD Single : A 53 GLN : amide:sc=-0.00126 X(o=-0.0013,f=-0.34) USER MOD Single : A 71 ASN : amide:sc= -0.011 K(o=-0.011,f=-1.3!) USER MOD Single : A 72 ASN :FLIP amide:sc= -1.15 F(o=-2.3,f=-1.2) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.683 USER MOD Single : A 79 ASN : amide:sc= -1.08 K(o=-1.1,f=-3.1) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.247 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 94 GLN : amide:sc= -0.0137 K(o=-0.014,f=-1.7) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0401 USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN :FLIP amide:sc= -0.487 F(o=-2.8!,f=-0.49) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 THR OG1 : rot 77:sc= 0.865 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 THR OG1 : rot 180:sc= -0.213 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N VAL A 2 1.195 2.284 -0.042 1.00 52.41 N ATOM 19 CA VAL A 2 1.786 3.584 -0.337 1.00 41.03 C ATOM 20 C VAL A 2 1.493 4.586 0.774 1.00 44.13 C ATOM 21 O VAL A 2 0.836 4.259 1.761 1.00 74.21 O ATOM 22 CB VAL A 2 1.265 4.148 -1.673 1.00 35.35 C ATOM 23 CG1 VAL A 2 1.747 3.296 -2.837 1.00 31.23 C ATOM 24 CG2 VAL A 2 -0.254 4.233 -1.657 1.00 52.42 C ATOM 0 HA VAL A 2 2.863 3.432 -0.411 1.00 41.03 H new ATOM 0 HB VAL A 2 1.662 5.155 -1.803 1.00 35.35 H new ATOM 0 HG11 VAL A 2 1.369 3.710 -3.772 1.00 31.23 H new ATOM 0 HG12 VAL A 2 2.837 3.290 -2.857 1.00 31.23 H new ATOM 0 HG13 VAL A 2 1.381 2.276 -2.718 1.00 31.23 H new ATOM 0 HG21 VAL A 2 -0.606 4.633 -2.608 1.00 52.42 H new ATOM 0 HG22 VAL A 2 -0.673 3.238 -1.505 1.00 52.42 H new ATOM 0 HG23 VAL A 2 -0.573 4.889 -0.847 1.00 52.42 H new ATOM 34 N MET A 3 1.986 5.809 0.605 1.00 22.22 N ATOM 35 CA MET A 3 1.776 6.860 1.594 1.00 52.13 C ATOM 36 C MET A 3 0.598 7.747 1.202 1.00 70.30 C ATOM 37 O MET A 3 0.150 7.731 0.055 1.00 50.41 O ATOM 38 CB MET A 3 3.040 7.708 1.744 1.00 11.54 C ATOM 39 CG MET A 3 3.231 8.272 3.143 1.00 35.13 C ATOM 40 SD MET A 3 3.653 10.025 3.134 1.00 20.35 S ATOM 41 CE MET A 3 4.936 10.057 1.885 1.00 4.44 C ATOM 0 H MET A 3 2.533 6.096 -0.207 1.00 22.22 H new ATOM 0 HA MET A 3 1.550 6.386 2.549 1.00 52.13 H new ATOM 0 HB2 MET A 3 3.908 7.101 1.484 1.00 11.54 H new ATOM 0 HB3 MET A 3 3.002 8.532 1.031 1.00 11.54 H new ATOM 0 HG2 MET A 3 2.316 8.125 3.718 1.00 35.13 H new ATOM 0 HG3 MET A 3 4.019 7.715 3.650 1.00 35.13 H new ATOM 0 HE1 MET A 3 5.611 10.891 2.078 1.00 4.44 H new ATOM 0 HE2 MET A 3 5.496 9.122 1.915 1.00 4.44 H new ATOM 0 HE3 MET A 3 4.483 10.177 0.901 1.00 4.44 H new ATOM 51 N THR A 4 0.099 8.519 2.162 1.00 4.42 N ATOM 52 CA THR A 4 -1.027 9.411 1.918 1.00 50.32 C ATOM 53 C THR A 4 -0.908 10.687 2.744 1.00 21.32 C ATOM 54 O THR A 4 -1.175 10.687 3.946 1.00 54.11 O ATOM 55 CB THR A 4 -2.367 8.726 2.243 1.00 34.43 C ATOM 56 OG1 THR A 4 -2.218 7.303 2.182 1.00 65.14 O ATOM 57 CG2 THR A 4 -3.452 9.169 1.273 1.00 63.12 C ATOM 0 H THR A 4 0.458 8.544 3.117 1.00 4.42 H new ATOM 0 HA THR A 4 -1.005 9.665 0.858 1.00 50.32 H new ATOM 0 HB THR A 4 -2.662 9.017 3.251 1.00 34.43 H new ATOM 0 HG1 THR A 4 -1.994 6.959 3.072 1.00 65.14 H new ATOM 0 HG21 THR A 4 -4.389 8.671 1.523 1.00 63.12 H new ATOM 0 HG22 THR A 4 -3.584 10.249 1.343 1.00 63.12 H new ATOM 0 HG23 THR A 4 -3.161 8.905 0.256 1.00 63.12 H new ATOM 65 N VAL A 5 -0.505 11.773 2.093 1.00 51.13 N ATOM 66 CA VAL A 5 -0.352 13.057 2.767 1.00 33.54 C ATOM 67 C VAL A 5 -1.591 13.925 2.583 1.00 54.41 C ATOM 68 O VAL A 5 -2.043 14.150 1.460 1.00 61.23 O ATOM 69 CB VAL A 5 0.879 13.821 2.247 1.00 25.02 C ATOM 70 CG1 VAL A 5 1.027 15.152 2.969 1.00 34.54 C ATOM 71 CG2 VAL A 5 2.135 12.977 2.405 1.00 4.43 C ATOM 0 H VAL A 5 -0.278 11.789 1.099 1.00 51.13 H new ATOM 0 HA VAL A 5 -0.216 12.844 3.827 1.00 33.54 H new ATOM 0 HB VAL A 5 0.736 14.025 1.186 1.00 25.02 H new ATOM 0 HG11 VAL A 5 1.903 15.677 2.588 1.00 34.54 H new ATOM 0 HG12 VAL A 5 0.137 15.759 2.800 1.00 34.54 H new ATOM 0 HG13 VAL A 5 1.147 14.975 4.038 1.00 34.54 H new ATOM 0 HG21 VAL A 5 2.996 13.532 2.032 1.00 4.43 H new ATOM 0 HG22 VAL A 5 2.284 12.740 3.458 1.00 4.43 H new ATOM 0 HG23 VAL A 5 2.026 12.053 1.837 1.00 4.43 H new ATOM 81 N ARG A 6 -2.137 14.412 3.693 1.00 44.32 N ATOM 82 CA ARG A 6 -3.325 15.257 3.654 1.00 65.43 C ATOM 83 C ARG A 6 -3.135 16.502 4.514 1.00 44.51 C ATOM 84 O ARG A 6 -2.498 16.452 5.566 1.00 3.12 O ATOM 85 CB ARG A 6 -4.548 14.474 4.134 1.00 53.14 C ATOM 86 CG ARG A 6 -4.502 14.117 5.610 1.00 31.22 C ATOM 87 CD ARG A 6 -5.849 13.611 6.103 1.00 24.24 C ATOM 88 NE ARG A 6 -6.911 14.590 5.894 1.00 14.53 N ATOM 89 CZ ARG A 6 -8.193 14.349 6.145 1.00 33.04 C ATOM 90 NH1 ARG A 6 -8.569 13.167 6.613 1.00 74.44 N ATOM 91 NH2 ARG A 6 -9.102 15.292 5.930 1.00 61.45 N ATOM 0 H ARG A 6 -1.776 14.236 4.630 1.00 44.32 H new ATOM 0 HA ARG A 6 -3.484 15.571 2.622 1.00 65.43 H new ATOM 0 HB2 ARG A 6 -5.445 15.062 3.939 1.00 53.14 H new ATOM 0 HB3 ARG A 6 -4.634 13.558 3.550 1.00 53.14 H new ATOM 0 HG2 ARG A 6 -3.742 13.354 5.777 1.00 31.22 H new ATOM 0 HG3 ARG A 6 -4.207 14.993 6.188 1.00 31.22 H new ATOM 0 HD2 ARG A 6 -6.101 12.686 5.584 1.00 24.24 H new ATOM 0 HD3 ARG A 6 -5.780 13.372 7.164 1.00 24.24 H new ATOM 0 HE ARG A 6 -6.655 15.510 5.535 1.00 14.53 H new ATOM 0 HH11 ARG A 6 -7.873 12.440 6.781 1.00 74.44 H new ATOM 0 HH12 ARG A 6 -9.554 12.984 6.805 1.00 74.44 H new ATOM 0 HH21 ARG A 6 -8.817 16.203 5.572 1.00 61.45 H new ATOM 0 HH22 ARG A 6 -10.086 15.105 6.123 1.00 61.45 H new ATOM 105 N VAL A 7 -3.691 17.620 4.058 1.00 12.43 N ATOM 106 CA VAL A 7 -3.584 18.879 4.786 1.00 42.32 C ATOM 107 C VAL A 7 -4.931 19.296 5.366 1.00 60.53 C ATOM 108 O VAL A 7 -5.971 19.128 4.728 1.00 41.10 O ATOM 109 CB VAL A 7 -3.057 20.008 3.880 1.00 64.11 C ATOM 110 CG1 VAL A 7 -3.770 19.992 2.537 1.00 62.25 C ATOM 111 CG2 VAL A 7 -3.218 21.358 4.562 1.00 31.24 C ATOM 0 H VAL A 7 -4.220 17.680 3.188 1.00 12.43 H new ATOM 0 HA VAL A 7 -2.877 18.715 5.599 1.00 42.32 H new ATOM 0 HB VAL A 7 -1.995 19.841 3.702 1.00 64.11 H new ATOM 0 HG11 VAL A 7 -3.384 20.797 1.911 1.00 62.25 H new ATOM 0 HG12 VAL A 7 -3.598 19.035 2.045 1.00 62.25 H new ATOM 0 HG13 VAL A 7 -4.840 20.133 2.691 1.00 62.25 H new ATOM 0 HG21 VAL A 7 -2.840 22.144 3.907 1.00 31.24 H new ATOM 0 HG22 VAL A 7 -4.273 21.536 4.772 1.00 31.24 H new ATOM 0 HG23 VAL A 7 -2.656 21.363 5.496 1.00 31.24 H new ATOM 121 N ILE A 8 -4.905 19.839 6.578 1.00 24.30 N ATOM 122 CA ILE A 8 -6.124 20.281 7.243 1.00 21.43 C ATOM 123 C ILE A 8 -5.914 21.618 7.945 1.00 44.11 C ATOM 124 O ILE A 8 -4.833 21.894 8.466 1.00 55.22 O ATOM 125 CB ILE A 8 -6.610 19.244 8.273 1.00 13.25 C ATOM 126 CG1 ILE A 8 -6.825 17.887 7.601 1.00 33.42 C ATOM 127 CG2 ILE A 8 -7.893 19.721 8.939 1.00 23.32 C ATOM 128 CD1 ILE A 8 -5.599 17.002 7.621 1.00 64.33 C ATOM 0 H ILE A 8 -4.053 19.983 7.120 1.00 24.30 H new ATOM 0 HA ILE A 8 -6.882 20.396 6.468 1.00 21.43 H new ATOM 0 HB ILE A 8 -5.845 19.130 9.041 1.00 13.25 H new ATOM 0 HG12 ILE A 8 -7.645 17.370 8.099 1.00 33.42 H new ATOM 0 HG13 ILE A 8 -7.131 18.047 6.567 1.00 33.42 H new ATOM 0 HG21 ILE A 8 -8.224 18.978 9.664 1.00 23.32 H new ATOM 0 HG22 ILE A 8 -7.709 20.667 9.447 1.00 23.32 H new ATOM 0 HG23 ILE A 8 -8.666 19.860 8.183 1.00 23.32 H new ATOM 0 HD11 ILE A 8 -5.825 16.057 7.127 1.00 64.33 H new ATOM 0 HD12 ILE A 8 -4.783 17.499 7.097 1.00 64.33 H new ATOM 0 HD13 ILE A 8 -5.305 16.811 8.653 1.00 64.33 H new ATOM 140 N ALA A 9 -6.954 22.444 7.956 1.00 54.43 N ATOM 141 CA ALA A 9 -6.885 23.752 8.597 1.00 73.42 C ATOM 142 C ALA A 9 -7.693 23.772 9.890 1.00 52.31 C ATOM 143 O ALA A 9 -8.566 22.934 10.119 1.00 42.45 O ATOM 144 CB ALA A 9 -7.379 24.832 7.646 1.00 11.34 C ATOM 0 H ALA A 9 -7.855 22.231 7.528 1.00 54.43 H new ATOM 0 HA ALA A 9 -5.843 23.953 8.847 1.00 73.42 H new ATOM 0 HB1 ALA A 9 -7.322 25.803 8.137 1.00 11.34 H new ATOM 0 HB2 ALA A 9 -6.757 24.841 6.751 1.00 11.34 H new ATOM 0 HB3 ALA A 9 -8.413 24.626 7.367 1.00 11.34 H new ATOM 150 N PRO A 10 -7.397 24.751 10.758 1.00 55.32 N ATOM 151 CA PRO A 10 -8.085 24.904 12.043 1.00 14.12 C ATOM 152 C PRO A 10 -9.532 25.356 11.876 1.00 33.43 C ATOM 153 O PRO A 10 -10.294 25.400 12.843 1.00 41.35 O ATOM 154 CB PRO A 10 -7.268 25.983 12.757 1.00 5.31 C ATOM 155 CG PRO A 10 -6.633 26.766 11.660 1.00 62.44 C ATOM 156 CD PRO A 10 -6.369 25.785 10.551 1.00 71.32 C ATOM 0 HA PRO A 10 -8.142 23.962 12.589 1.00 14.12 H new ATOM 0 HB2 PRO A 10 -7.903 26.615 13.378 1.00 5.31 H new ATOM 0 HB3 PRO A 10 -6.518 25.542 13.414 1.00 5.31 H new ATOM 0 HG2 PRO A 10 -7.289 27.569 11.323 1.00 62.44 H new ATOM 0 HG3 PRO A 10 -5.707 27.232 11.998 1.00 62.44 H new ATOM 0 HD2 PRO A 10 -6.461 26.253 9.571 1.00 71.32 H new ATOM 0 HD3 PRO A 10 -5.363 25.370 10.613 1.00 71.32 H new ATOM 164 N ASP A 11 -9.905 25.689 10.646 1.00 62.35 N ATOM 165 CA ASP A 11 -11.262 26.135 10.352 1.00 43.31 C ATOM 166 C ASP A 11 -11.997 25.112 9.492 1.00 22.55 C ATOM 167 O ASP A 11 -13.226 25.111 9.423 1.00 30.10 O ATOM 168 CB ASP A 11 -11.233 27.490 9.641 1.00 32.55 C ATOM 169 CG ASP A 11 -11.971 28.565 10.415 1.00 60.31 C ATOM 170 OD1 ASP A 11 -11.632 28.784 11.597 1.00 51.11 O ATOM 171 OD2 ASP A 11 -12.887 29.187 9.838 1.00 43.21 O ATOM 0 H ASP A 11 -9.286 25.659 9.835 1.00 62.35 H new ATOM 0 HA ASP A 11 -11.796 26.239 11.296 1.00 43.31 H new ATOM 0 HB2 ASP A 11 -10.198 27.798 9.494 1.00 32.55 H new ATOM 0 HB3 ASP A 11 -11.679 27.388 8.652 1.00 32.55 H new ATOM 176 N LYS A 12 -11.236 24.241 8.838 1.00 61.21 N ATOM 177 CA LYS A 12 -11.813 23.211 7.983 1.00 75.15 C ATOM 178 C LYS A 12 -10.722 22.441 7.245 1.00 54.41 C ATOM 179 O LYS A 12 -9.568 22.869 7.199 1.00 14.14 O ATOM 180 CB LYS A 12 -12.780 23.838 6.975 1.00 2.32 C ATOM 181 CG LYS A 12 -14.229 23.441 7.194 1.00 13.13 C ATOM 182 CD LYS A 12 -14.670 22.373 6.207 1.00 12.23 C ATOM 183 CE LYS A 12 -16.175 22.403 5.989 1.00 32.14 C ATOM 184 NZ LYS A 12 -16.540 22.054 4.588 1.00 22.24 N ATOM 0 H LYS A 12 -10.217 24.228 8.884 1.00 61.21 H new ATOM 0 HA LYS A 12 -12.360 22.513 8.617 1.00 75.15 H new ATOM 0 HB2 LYS A 12 -12.697 24.923 7.031 1.00 2.32 H new ATOM 0 HB3 LYS A 12 -12.481 23.547 5.968 1.00 2.32 H new ATOM 0 HG2 LYS A 12 -14.356 23.072 8.212 1.00 13.13 H new ATOM 0 HG3 LYS A 12 -14.867 24.319 7.091 1.00 13.13 H new ATOM 0 HD2 LYS A 12 -14.160 22.523 5.255 1.00 12.23 H new ATOM 0 HD3 LYS A 12 -14.374 21.391 6.576 1.00 12.23 H new ATOM 0 HE2 LYS A 12 -16.655 21.704 6.674 1.00 32.14 H new ATOM 0 HE3 LYS A 12 -16.557 23.396 6.227 1.00 32.14 H new ATOM 0 HZ1 LYS A 12 -17.574 22.086 4.480 1.00 22.24 H new ATOM 0 HZ2 LYS A 12 -16.103 22.736 3.935 1.00 22.24 H new ATOM 0 HZ3 LYS A 12 -16.198 21.097 4.368 1.00 22.24 H new ATOM 198 N THR A 13 -11.095 21.304 6.666 1.00 23.23 N ATOM 199 CA THR A 13 -10.148 20.475 5.930 1.00 12.14 C ATOM 200 C THR A 13 -9.707 21.157 4.641 1.00 50.44 C ATOM 201 O THR A 13 -10.379 22.061 4.143 1.00 31.10 O ATOM 202 CB THR A 13 -10.752 19.100 5.590 1.00 72.34 C ATOM 203 OG1 THR A 13 -9.843 18.355 4.771 1.00 34.34 O ATOM 204 CG2 THR A 13 -12.081 19.257 4.867 1.00 75.44 C ATOM 0 H THR A 13 -12.046 20.936 6.692 1.00 23.23 H new ATOM 0 HA THR A 13 -9.282 20.333 6.577 1.00 12.14 H new ATOM 0 HB THR A 13 -10.925 18.563 6.522 1.00 72.34 H new ATOM 0 HG1 THR A 13 -10.233 17.481 4.560 1.00 34.34 H new ATOM 0 HG21 THR A 13 -12.489 18.273 4.637 1.00 75.44 H new ATOM 0 HG22 THR A 13 -12.780 19.799 5.504 1.00 75.44 H new ATOM 0 HG23 THR A 13 -11.928 19.812 3.941 1.00 75.44 H new ATOM 212 N VAL A 14 -8.573 20.719 4.102 1.00 13.05 N ATOM 213 CA VAL A 14 -8.043 21.287 2.869 1.00 71.44 C ATOM 214 C VAL A 14 -8.072 20.265 1.737 1.00 1.31 C ATOM 215 O VAL A 14 -8.731 20.471 0.718 1.00 14.22 O ATOM 216 CB VAL A 14 -6.599 21.788 3.056 1.00 21.24 C ATOM 217 CG1 VAL A 14 -6.050 22.338 1.749 1.00 52.40 C ATOM 218 CG2 VAL A 14 -6.539 22.839 4.154 1.00 2.22 C ATOM 0 H VAL A 14 -8.004 19.972 4.501 1.00 13.05 H new ATOM 0 HA VAL A 14 -8.681 22.132 2.610 1.00 71.44 H new ATOM 0 HB VAL A 14 -5.976 20.945 3.356 1.00 21.24 H new ATOM 0 HG11 VAL A 14 -5.029 22.687 1.902 1.00 52.40 H new ATOM 0 HG12 VAL A 14 -6.056 21.553 0.993 1.00 52.40 H new ATOM 0 HG13 VAL A 14 -6.671 23.169 1.414 1.00 52.40 H new ATOM 0 HG21 VAL A 14 -5.511 23.182 4.273 1.00 2.22 H new ATOM 0 HG22 VAL A 14 -7.175 23.683 3.885 1.00 2.22 H new ATOM 0 HG23 VAL A 14 -6.888 22.406 5.092 1.00 2.22 H new ATOM 228 N TRP A 15 -7.353 19.164 1.923 1.00 12.24 N ATOM 229 CA TRP A 15 -7.297 18.109 0.918 1.00 43.43 C ATOM 230 C TRP A 15 -6.599 16.870 1.467 1.00 3.22 C ATOM 231 O TRP A 15 -6.148 16.857 2.613 1.00 73.01 O ATOM 232 CB TRP A 15 -6.570 18.607 -0.333 1.00 22.03 C ATOM 233 CG TRP A 15 -7.497 18.989 -1.446 1.00 52.52 C ATOM 234 CD1 TRP A 15 -7.475 20.148 -2.170 1.00 33.52 C ATOM 235 CD2 TRP A 15 -8.584 18.213 -1.961 1.00 71.22 C ATOM 236 NE1 TRP A 15 -8.483 20.138 -3.104 1.00 33.54 N ATOM 237 CE2 TRP A 15 -9.177 18.961 -2.997 1.00 11.33 C ATOM 238 CE3 TRP A 15 -9.113 16.957 -1.650 1.00 43.20 C ATOM 239 CZ2 TRP A 15 -10.272 18.495 -3.719 1.00 62.54 C ATOM 240 CZ3 TRP A 15 -10.199 16.495 -2.368 1.00 54.50 C ATOM 241 CH2 TRP A 15 -10.769 17.262 -3.393 1.00 50.04 C ATOM 0 H TRP A 15 -6.801 18.979 2.760 1.00 12.24 H new ATOM 0 HA TRP A 15 -8.319 17.839 0.653 1.00 43.43 H new ATOM 0 HB2 TRP A 15 -5.956 19.468 -0.069 1.00 22.03 H new ATOM 0 HB3 TRP A 15 -5.893 17.829 -0.685 1.00 22.03 H new ATOM 0 HD1 TRP A 15 -6.769 20.953 -2.029 1.00 33.52 H new ATOM 0 HE1 TRP A 15 -8.682 20.885 -3.769 1.00 33.54 H new ATOM 0 HE3 TRP A 15 -8.680 16.358 -0.862 1.00 43.20 H new ATOM 0 HZ2 TRP A 15 -10.714 19.085 -4.508 1.00 62.54 H new ATOM 0 HZ3 TRP A 15 -10.616 15.526 -2.135 1.00 54.50 H new ATOM 0 HH2 TRP A 15 -11.617 16.873 -3.936 1.00 50.04 H new ATOM 252 N ASP A 16 -6.512 15.831 0.644 1.00 53.31 N ATOM 253 CA ASP A 16 -5.867 14.587 1.048 1.00 54.22 C ATOM 254 C ASP A 16 -5.467 13.762 -0.171 1.00 41.11 C ATOM 255 O ASP A 16 -6.252 12.960 -0.675 1.00 53.03 O ATOM 256 CB ASP A 16 -6.800 13.773 1.946 1.00 5.05 C ATOM 257 CG ASP A 16 -8.160 13.547 1.316 1.00 65.40 C ATOM 258 OD1 ASP A 16 -8.942 14.516 1.230 1.00 20.12 O ATOM 259 OD2 ASP A 16 -8.442 12.400 0.909 1.00 22.11 O ATOM 0 H ASP A 16 -6.880 15.825 -0.307 1.00 53.31 H new ATOM 0 HA ASP A 16 -4.965 14.838 1.606 1.00 54.22 H new ATOM 0 HB2 ASP A 16 -6.340 12.809 2.164 1.00 5.05 H new ATOM 0 HB3 ASP A 16 -6.925 14.289 2.898 1.00 5.05 H new ATOM 264 N ALA A 17 -4.240 13.966 -0.640 1.00 72.31 N ATOM 265 CA ALA A 17 -3.735 13.240 -1.799 1.00 52.21 C ATOM 266 C ALA A 17 -2.696 12.203 -1.387 1.00 71.13 C ATOM 267 O ALA A 17 -2.101 12.278 -0.312 1.00 62.02 O ATOM 268 CB ALA A 17 -3.144 14.209 -2.812 1.00 3.41 C ATOM 0 H ALA A 17 -3.578 14.628 -0.235 1.00 72.31 H new ATOM 0 HA ALA A 17 -4.571 12.714 -2.260 1.00 52.21 H new ATOM 0 HB1 ALA A 17 -2.771 13.653 -3.672 1.00 3.41 H new ATOM 0 HB2 ALA A 17 -3.914 14.909 -3.138 1.00 3.41 H new ATOM 0 HB3 ALA A 17 -2.324 14.760 -2.352 1.00 3.41 H new ATOM 274 N PRO A 18 -2.472 11.210 -2.261 1.00 24.02 N ATOM 275 CA PRO A 18 -1.504 10.138 -2.009 1.00 42.12 C ATOM 276 C PRO A 18 -0.063 10.636 -2.055 1.00 31.54 C ATOM 277 O PRO A 18 0.193 11.795 -2.376 1.00 42.33 O ATOM 278 CB PRO A 18 -1.765 9.150 -3.149 1.00 5.10 C ATOM 279 CG PRO A 18 -2.350 9.977 -4.241 1.00 43.50 C ATOM 280 CD PRO A 18 -3.145 11.058 -3.561 1.00 60.45 C ATOM 0 HA PRO A 18 -1.624 9.705 -1.016 1.00 42.12 H new ATOM 0 HB2 PRO A 18 -0.844 8.664 -3.471 1.00 5.10 H new ATOM 0 HB3 PRO A 18 -2.450 8.361 -2.840 1.00 5.10 H new ATOM 0 HG2 PRO A 18 -1.568 10.404 -4.869 1.00 43.50 H new ATOM 0 HG3 PRO A 18 -2.986 9.374 -4.889 1.00 43.50 H new ATOM 0 HD2 PRO A 18 -3.131 11.987 -4.132 1.00 60.45 H new ATOM 0 HD3 PRO A 18 -4.190 10.773 -3.441 1.00 60.45 H new ATOM 288 N ALA A 19 0.874 9.751 -1.731 1.00 21.53 N ATOM 289 CA ALA A 19 2.289 10.100 -1.737 1.00 62.42 C ATOM 290 C ALA A 19 3.155 8.887 -1.413 1.00 2.11 C ATOM 291 O ALA A 19 2.643 7.798 -1.157 1.00 14.24 O ATOM 292 CB ALA A 19 2.560 11.224 -0.748 1.00 61.32 C ATOM 0 H ALA A 19 0.678 8.787 -1.461 1.00 21.53 H new ATOM 0 HA ALA A 19 2.549 10.442 -2.739 1.00 62.42 H new ATOM 0 HB1 ALA A 19 3.621 11.474 -0.763 1.00 61.32 H new ATOM 0 HB2 ALA A 19 1.976 12.102 -1.026 1.00 61.32 H new ATOM 0 HB3 ALA A 19 2.277 10.903 0.254 1.00 61.32 H new ATOM 298 N GLU A 20 4.470 9.084 -1.427 1.00 31.30 N ATOM 299 CA GLU A 20 5.406 8.004 -1.136 1.00 2.43 C ATOM 300 C GLU A 20 6.596 8.519 -0.330 1.00 33.31 C ATOM 301 O GLU A 20 7.045 7.871 0.615 1.00 72.54 O ATOM 302 CB GLU A 20 5.896 7.360 -2.434 1.00 41.01 C ATOM 303 CG GLU A 20 4.908 6.375 -3.035 1.00 71.32 C ATOM 304 CD GLU A 20 5.537 5.490 -4.094 1.00 20.23 C ATOM 305 OE1 GLU A 20 6.774 5.545 -4.255 1.00 70.50 O ATOM 306 OE2 GLU A 20 4.791 4.742 -4.761 1.00 4.03 O ATOM 0 H GLU A 20 4.910 9.980 -1.636 1.00 31.30 H new ATOM 0 HA GLU A 20 4.883 7.254 -0.542 1.00 2.43 H new ATOM 0 HB2 GLU A 20 6.104 8.144 -3.163 1.00 41.01 H new ATOM 0 HB3 GLU A 20 6.838 6.846 -2.242 1.00 41.01 H new ATOM 0 HG2 GLU A 20 4.496 5.750 -2.243 1.00 71.32 H new ATOM 0 HG3 GLU A 20 4.075 6.924 -3.474 1.00 71.32 H new ATOM 313 N GLU A 21 7.101 9.688 -0.712 1.00 34.24 N ATOM 314 CA GLU A 21 8.239 10.288 -0.026 1.00 14.24 C ATOM 315 C GLU A 21 8.239 11.805 -0.197 1.00 32.44 C ATOM 316 O GLU A 21 8.080 12.316 -1.305 1.00 63.44 O ATOM 317 CB GLU A 21 9.549 9.704 -0.557 1.00 61.10 C ATOM 318 CG GLU A 21 9.759 9.934 -2.044 1.00 61.42 C ATOM 319 CD GLU A 21 11.014 9.261 -2.567 1.00 75.00 C ATOM 320 OE1 GLU A 21 10.933 8.077 -2.956 1.00 72.11 O ATOM 321 OE2 GLU A 21 12.075 9.918 -2.587 1.00 23.31 O ATOM 0 H GLU A 21 6.740 10.238 -1.492 1.00 34.24 H new ATOM 0 HA GLU A 21 8.152 10.059 1.036 1.00 14.24 H new ATOM 0 HB2 GLU A 21 10.382 10.144 -0.009 1.00 61.10 H new ATOM 0 HB3 GLU A 21 9.567 8.633 -0.358 1.00 61.10 H new ATOM 0 HG2 GLU A 21 8.895 9.558 -2.592 1.00 61.42 H new ATOM 0 HG3 GLU A 21 9.818 11.005 -2.237 1.00 61.42 H new ATOM 328 N VAL A 22 8.417 12.519 0.910 1.00 5.10 N ATOM 329 CA VAL A 22 8.439 13.977 0.884 1.00 70.32 C ATOM 330 C VAL A 22 9.523 14.527 1.803 1.00 23.14 C ATOM 331 O VAL A 22 9.673 14.079 2.940 1.00 22.44 O ATOM 332 CB VAL A 22 7.079 14.566 1.302 1.00 33.33 C ATOM 333 CG1 VAL A 22 7.040 16.063 1.036 1.00 23.21 C ATOM 334 CG2 VAL A 22 5.946 13.857 0.575 1.00 14.35 C ATOM 0 H VAL A 22 8.548 12.112 1.836 1.00 5.10 H new ATOM 0 HA VAL A 22 8.654 14.272 -0.143 1.00 70.32 H new ATOM 0 HB VAL A 22 6.948 14.409 2.373 1.00 33.33 H new ATOM 0 HG11 VAL A 22 6.071 16.461 1.338 1.00 23.21 H new ATOM 0 HG12 VAL A 22 7.828 16.555 1.607 1.00 23.21 H new ATOM 0 HG13 VAL A 22 7.193 16.248 -0.027 1.00 23.21 H new ATOM 0 HG21 VAL A 22 4.992 14.286 0.882 1.00 14.35 H new ATOM 0 HG22 VAL A 22 6.070 13.981 -0.501 1.00 14.35 H new ATOM 0 HG23 VAL A 22 5.963 12.796 0.822 1.00 14.35 H new ATOM 344 N ILE A 23 10.277 15.501 1.304 1.00 34.10 N ATOM 345 CA ILE A 23 11.346 16.114 2.082 1.00 64.43 C ATOM 346 C ILE A 23 11.114 17.611 2.252 1.00 11.10 C ATOM 347 O ILE A 23 10.733 18.303 1.307 1.00 62.03 O ATOM 348 CB ILE A 23 12.720 15.891 1.423 1.00 63.44 C ATOM 349 CG1 ILE A 23 13.833 16.456 2.308 1.00 52.54 C ATOM 350 CG2 ILE A 23 12.756 16.531 0.043 1.00 61.11 C ATOM 351 CD1 ILE A 23 15.223 16.184 1.779 1.00 64.34 C ATOM 0 H ILE A 23 10.167 15.882 0.364 1.00 34.10 H new ATOM 0 HA ILE A 23 11.339 15.634 3.061 1.00 64.43 H new ATOM 0 HB ILE A 23 12.882 14.819 1.309 1.00 63.44 H new ATOM 0 HG12 ILE A 23 13.695 17.533 2.408 1.00 52.54 H new ATOM 0 HG13 ILE A 23 13.743 16.029 3.307 1.00 52.54 H new ATOM 0 HG21 ILE A 23 13.733 16.365 -0.410 1.00 61.11 H new ATOM 0 HG22 ILE A 23 11.985 16.085 -0.585 1.00 61.11 H new ATOM 0 HG23 ILE A 23 12.576 17.602 0.134 1.00 61.11 H new ATOM 0 HD11 ILE A 23 15.961 16.613 2.457 1.00 64.34 H new ATOM 0 HD12 ILE A 23 15.380 15.108 1.706 1.00 64.34 H new ATOM 0 HD13 ILE A 23 15.331 16.635 0.792 1.00 64.34 H new ATOM 363 N LEU A 24 11.347 18.106 3.462 1.00 11.34 N ATOM 364 CA LEU A 24 11.165 19.523 3.757 1.00 10.44 C ATOM 365 C LEU A 24 11.900 19.912 5.036 1.00 13.13 C ATOM 366 O LEU A 24 12.230 19.070 5.872 1.00 43.42 O ATOM 367 CB LEU A 24 9.676 19.850 3.892 1.00 65.55 C ATOM 368 CG LEU A 24 8.799 18.749 4.489 1.00 63.31 C ATOM 369 CD1 LEU A 24 7.672 19.352 5.312 1.00 51.30 C ATOM 370 CD2 LEU A 24 8.241 17.856 3.390 1.00 41.31 C ATOM 0 H LEU A 24 11.662 17.547 4.255 1.00 11.34 H new ATOM 0 HA LEU A 24 11.583 20.097 2.930 1.00 10.44 H new ATOM 0 HB2 LEU A 24 9.575 20.742 4.510 1.00 65.55 H new ATOM 0 HB3 LEU A 24 9.288 20.100 2.904 1.00 65.55 H new ATOM 0 HG LEU A 24 9.415 18.138 5.148 1.00 63.31 H new ATOM 0 HD11 LEU A 24 7.058 18.553 5.729 1.00 51.30 H new ATOM 0 HD12 LEU A 24 8.092 19.948 6.122 1.00 51.30 H new ATOM 0 HD13 LEU A 24 7.057 19.988 4.676 1.00 51.30 H new ATOM 0 HD21 LEU A 24 7.619 17.078 3.834 1.00 41.31 H new ATOM 0 HD22 LEU A 24 7.640 18.454 2.705 1.00 41.31 H new ATOM 0 HD23 LEU A 24 9.063 17.395 2.843 1.00 41.31 H new ATOM 382 N PRO A 25 12.160 21.218 5.196 1.00 42.23 N ATOM 383 CA PRO A 25 12.856 21.749 6.372 1.00 70.22 C ATOM 384 C PRO A 25 12.006 21.664 7.635 1.00 24.12 C ATOM 385 O PRO A 25 10.877 22.153 7.669 1.00 21.43 O ATOM 386 CB PRO A 25 13.117 23.211 6.000 1.00 32.41 C ATOM 387 CG PRO A 25 12.057 23.544 5.008 1.00 61.05 C ATOM 388 CD PRO A 25 11.795 22.278 4.240 1.00 22.52 C ATOM 0 HA PRO A 25 13.761 21.185 6.600 1.00 70.22 H new ATOM 0 HB2 PRO A 25 13.058 23.859 6.875 1.00 32.41 H new ATOM 0 HB3 PRO A 25 14.112 23.340 5.574 1.00 32.41 H new ATOM 0 HG2 PRO A 25 11.152 23.892 5.506 1.00 61.05 H new ATOM 0 HG3 PRO A 25 12.383 24.344 4.343 1.00 61.05 H new ATOM 0 HD2 PRO A 25 10.751 22.202 3.934 1.00 22.52 H new ATOM 0 HD3 PRO A 25 12.397 22.226 3.333 1.00 22.52 H new ATOM 396 N SER A 26 12.557 21.041 8.672 1.00 31.23 N ATOM 397 CA SER A 26 11.848 20.889 9.937 1.00 13.24 C ATOM 398 C SER A 26 12.679 21.435 11.095 1.00 72.42 C ATOM 399 O SER A 26 13.713 22.071 10.887 1.00 33.25 O ATOM 400 CB SER A 26 11.512 19.417 10.185 1.00 40.21 C ATOM 401 OG SER A 26 10.571 19.278 11.235 1.00 54.41 O ATOM 0 H SER A 26 13.492 20.633 8.661 1.00 31.23 H new ATOM 0 HA SER A 26 10.922 21.460 9.876 1.00 13.24 H new ATOM 0 HB2 SER A 26 11.112 18.974 9.273 1.00 40.21 H new ATOM 0 HB3 SER A 26 12.422 18.870 10.433 1.00 40.21 H new ATOM 0 HG SER A 26 10.987 18.807 11.987 1.00 54.41 H new ATOM 407 N THR A 27 12.219 21.181 12.316 1.00 22.13 N ATOM 408 CA THR A 27 12.918 21.646 13.508 1.00 54.43 C ATOM 409 C THR A 27 14.400 21.295 13.449 1.00 72.04 C ATOM 410 O THR A 27 15.260 22.175 13.495 1.00 21.15 O ATOM 411 CB THR A 27 12.309 21.043 14.787 1.00 21.35 C ATOM 412 OG1 THR A 27 10.893 20.898 14.635 1.00 13.04 O ATOM 413 CG2 THR A 27 12.608 21.919 15.994 1.00 12.33 C ATOM 0 H THR A 27 11.365 20.656 12.506 1.00 22.13 H new ATOM 0 HA THR A 27 12.806 22.730 13.537 1.00 54.43 H new ATOM 0 HB THR A 27 12.758 20.063 14.949 1.00 21.35 H new ATOM 0 HG1 THR A 27 10.514 20.512 15.452 1.00 13.04 H new ATOM 0 HG21 THR A 27 12.168 21.473 16.886 1.00 12.33 H new ATOM 0 HG22 THR A 27 13.687 22.002 16.125 1.00 12.33 H new ATOM 0 HG23 THR A 27 12.184 22.911 15.838 1.00 12.33 H new ATOM 421 N THR A 28 14.693 20.002 13.345 1.00 42.43 N ATOM 422 CA THR A 28 16.072 19.535 13.280 1.00 71.54 C ATOM 423 C THR A 28 16.758 20.021 12.008 1.00 3.35 C ATOM 424 O THR A 28 17.981 19.963 11.890 1.00 24.53 O ATOM 425 CB THR A 28 16.146 17.997 13.333 1.00 25.11 C ATOM 426 OG1 THR A 28 15.130 17.428 12.501 1.00 72.14 O ATOM 427 CG2 THR A 28 15.980 17.496 14.760 1.00 54.41 C ATOM 0 H THR A 28 13.994 19.260 13.304 1.00 42.43 H new ATOM 0 HA THR A 28 16.587 19.947 14.148 1.00 71.54 H new ATOM 0 HB THR A 28 17.126 17.690 12.969 1.00 25.11 H new ATOM 0 HG1 THR A 28 15.185 16.450 12.539 1.00 72.14 H new ATOM 0 HG21 THR A 28 16.036 16.407 14.772 1.00 54.41 H new ATOM 0 HG22 THR A 28 16.773 17.907 15.385 1.00 54.41 H new ATOM 0 HG23 THR A 28 15.012 17.814 15.147 1.00 54.41 H new ATOM 435 N GLY A 29 15.962 20.503 11.059 1.00 42.14 N ATOM 436 CA GLY A 29 16.512 20.994 9.808 1.00 32.24 C ATOM 437 C GLY A 29 16.100 20.145 8.622 1.00 45.44 C ATOM 438 O GLY A 29 15.711 20.672 7.580 1.00 15.31 O ATOM 0 H GLY A 29 14.946 20.563 11.133 1.00 42.14 H new ATOM 0 HA2 GLY A 29 16.183 22.021 9.648 1.00 32.24 H new ATOM 0 HA3 GLY A 29 17.600 21.015 9.876 1.00 32.24 H new ATOM 442 N GLN A 30 16.189 18.829 8.778 1.00 22.54 N ATOM 443 CA GLN A 30 15.825 17.906 7.709 1.00 1.24 C ATOM 444 C GLN A 30 14.720 16.957 8.162 1.00 41.42 C ATOM 445 O GLN A 30 14.775 16.402 9.260 1.00 10.31 O ATOM 446 CB GLN A 30 17.048 17.106 7.259 1.00 24.42 C ATOM 447 CG GLN A 30 17.163 16.967 5.750 1.00 71.13 C ATOM 448 CD GLN A 30 17.822 15.667 5.331 1.00 10.44 C ATOM 449 OE1 GLN A 30 18.972 15.401 5.680 1.00 24.14 O ATOM 450 NE2 GLN A 30 17.095 14.850 4.579 1.00 33.33 N ATOM 0 H GLN A 30 16.510 18.377 9.634 1.00 22.54 H new ATOM 0 HA GLN A 30 15.454 18.492 6.868 1.00 1.24 H new ATOM 0 HB2 GLN A 30 17.948 17.589 7.641 1.00 24.42 H new ATOM 0 HB3 GLN A 30 17.006 16.112 7.705 1.00 24.42 H new ATOM 0 HG2 GLN A 30 16.169 17.025 5.307 1.00 71.13 H new ATOM 0 HG3 GLN A 30 17.737 17.805 5.355 1.00 71.13 H new ATOM 0 HE21 GLN A 30 16.145 15.111 4.313 1.00 33.33 H new ATOM 0 HE22 GLN A 30 17.486 13.961 4.267 1.00 33.33 H new ATOM 459 N LEU A 31 13.718 16.776 7.309 1.00 34.34 N ATOM 460 CA LEU A 31 12.598 15.894 7.622 1.00 63.45 C ATOM 461 C LEU A 31 12.213 15.053 6.409 1.00 70.14 C ATOM 462 O LEU A 31 12.196 15.543 5.280 1.00 3.35 O ATOM 463 CB LEU A 31 11.395 16.712 8.092 1.00 33.35 C ATOM 464 CG LEU A 31 10.057 15.972 8.140 1.00 24.32 C ATOM 465 CD1 LEU A 31 9.230 16.440 9.327 1.00 0.41 C ATOM 466 CD2 LEU A 31 9.291 16.172 6.841 1.00 34.41 C ATOM 0 H LEU A 31 13.658 17.227 6.396 1.00 34.34 H new ATOM 0 HA LEU A 31 12.908 15.223 8.423 1.00 63.45 H new ATOM 0 HB2 LEU A 31 11.610 17.097 9.089 1.00 33.35 H new ATOM 0 HB3 LEU A 31 11.287 17.574 7.433 1.00 33.35 H new ATOM 0 HG LEU A 31 10.256 14.907 8.261 1.00 24.32 H new ATOM 0 HD11 LEU A 31 8.282 15.902 9.344 1.00 0.41 H new ATOM 0 HD12 LEU A 31 9.775 16.244 10.250 1.00 0.41 H new ATOM 0 HD13 LEU A 31 9.039 17.509 9.238 1.00 0.41 H new ATOM 0 HD21 LEU A 31 8.342 15.639 6.893 1.00 34.41 H new ATOM 0 HD22 LEU A 31 9.102 17.235 6.690 1.00 34.41 H new ATOM 0 HD23 LEU A 31 9.879 15.786 6.009 1.00 34.41 H new ATOM 478 N GLY A 32 11.901 13.783 6.650 1.00 64.12 N ATOM 479 CA GLY A 32 11.518 12.895 5.568 1.00 21.30 C ATOM 480 C GLY A 32 10.440 11.912 5.979 1.00 14.11 C ATOM 481 O GLY A 32 10.667 11.051 6.829 1.00 20.40 O ATOM 0 H GLY A 32 11.907 13.354 7.575 1.00 64.12 H new ATOM 0 HA2 GLY A 32 11.163 13.487 4.725 1.00 21.30 H new ATOM 0 HA3 GLY A 32 12.395 12.346 5.225 1.00 21.30 H new ATOM 485 N ILE A 33 9.263 12.042 5.376 1.00 35.25 N ATOM 486 CA ILE A 33 8.145 11.158 5.686 1.00 42.34 C ATOM 487 C ILE A 33 7.848 10.220 4.521 1.00 22.42 C ATOM 488 O ILE A 33 7.678 10.659 3.383 1.00 63.21 O ATOM 489 CB ILE A 33 6.873 11.957 6.024 1.00 53.11 C ATOM 490 CG1 ILE A 33 7.126 12.880 7.218 1.00 51.14 C ATOM 491 CG2 ILE A 33 5.716 11.013 6.314 1.00 72.43 C ATOM 492 CD1 ILE A 33 7.432 12.139 8.500 1.00 32.13 C ATOM 0 H ILE A 33 9.059 12.750 4.671 1.00 35.25 H new ATOM 0 HA ILE A 33 8.438 10.571 6.557 1.00 42.34 H new ATOM 0 HB ILE A 33 6.609 12.571 5.163 1.00 53.11 H new ATOM 0 HG12 ILE A 33 7.958 13.544 6.984 1.00 51.14 H new ATOM 0 HG13 ILE A 33 6.250 13.510 7.372 1.00 51.14 H new ATOM 0 HG21 ILE A 33 4.824 11.593 6.551 1.00 72.43 H new ATOM 0 HG22 ILE A 33 5.524 10.393 5.438 1.00 72.43 H new ATOM 0 HG23 ILE A 33 5.970 10.375 7.161 1.00 72.43 H new ATOM 0 HD11 ILE A 33 7.600 12.856 9.303 1.00 32.13 H new ATOM 0 HD12 ILE A 33 6.591 11.496 8.758 1.00 32.13 H new ATOM 0 HD13 ILE A 33 8.326 11.530 8.364 1.00 32.13 H new ATOM 504 N LEU A 34 7.785 8.925 4.813 1.00 10.23 N ATOM 505 CA LEU A 34 7.506 7.923 3.791 1.00 60.22 C ATOM 506 C LEU A 34 6.350 7.022 4.213 1.00 61.52 C ATOM 507 O LEU A 34 5.810 7.161 5.310 1.00 32.10 O ATOM 508 CB LEU A 34 8.753 7.079 3.522 1.00 44.32 C ATOM 509 CG LEU A 34 9.863 7.759 2.720 1.00 44.54 C ATOM 510 CD1 LEU A 34 10.646 8.721 3.600 1.00 13.42 C ATOM 511 CD2 LEU A 34 10.791 6.721 2.106 1.00 71.11 C ATOM 0 H LEU A 34 7.923 8.545 5.749 1.00 10.23 H new ATOM 0 HA LEU A 34 7.222 8.443 2.876 1.00 60.22 H new ATOM 0 HB2 LEU A 34 9.166 6.762 4.479 1.00 44.32 H new ATOM 0 HB3 LEU A 34 8.449 6.177 2.991 1.00 44.32 H new ATOM 0 HG LEU A 34 9.403 8.329 1.913 1.00 44.54 H new ATOM 0 HD11 LEU A 34 11.431 9.195 3.012 1.00 13.42 H new ATOM 0 HD12 LEU A 34 9.974 9.485 3.991 1.00 13.42 H new ATOM 0 HD13 LEU A 34 11.094 8.173 4.429 1.00 13.42 H new ATOM 0 HD21 LEU A 34 11.575 7.224 1.539 1.00 71.11 H new ATOM 0 HD22 LEU A 34 11.243 6.123 2.898 1.00 71.11 H new ATOM 0 HD23 LEU A 34 10.221 6.072 1.441 1.00 71.11 H new ATOM 523 N SER A 35 5.977 6.096 3.335 1.00 62.21 N ATOM 524 CA SER A 35 4.884 5.172 3.616 1.00 43.23 C ATOM 525 C SER A 35 5.267 4.200 4.728 1.00 15.51 C ATOM 526 O SER A 35 4.489 3.959 5.650 1.00 73.50 O ATOM 527 CB SER A 35 4.507 4.396 2.352 1.00 1.04 C ATOM 528 OG SER A 35 4.939 5.077 1.187 1.00 3.13 O ATOM 0 H SER A 35 6.415 5.966 2.423 1.00 62.21 H new ATOM 0 HA SER A 35 4.024 5.754 3.947 1.00 43.23 H new ATOM 0 HB2 SER A 35 4.956 3.403 2.384 1.00 1.04 H new ATOM 0 HB3 SER A 35 3.427 4.257 2.316 1.00 1.04 H new ATOM 0 HG SER A 35 4.688 4.560 0.394 1.00 3.13 H new ATOM 534 N ASN A 36 6.471 3.647 4.633 1.00 31.53 N ATOM 535 CA ASN A 36 6.958 2.700 5.631 1.00 54.43 C ATOM 536 C ASN A 36 7.136 3.381 6.985 1.00 71.34 C ATOM 537 O ASN A 36 7.240 2.717 8.016 1.00 22.44 O ATOM 538 CB ASN A 36 8.284 2.087 5.177 1.00 32.53 C ATOM 539 CG ASN A 36 8.087 0.926 4.221 1.00 12.11 C ATOM 540 OD1 ASN A 36 8.302 1.057 3.016 1.00 24.21 O ATOM 541 ND2 ASN A 36 7.675 -0.217 4.756 1.00 74.53 N ATOM 0 H ASN A 36 7.128 3.837 3.876 1.00 31.53 H new ATOM 0 HA ASN A 36 6.217 1.908 5.737 1.00 54.43 H new ATOM 0 HB2 ASN A 36 8.889 2.854 4.693 1.00 32.53 H new ATOM 0 HB3 ASN A 36 8.841 1.745 6.050 1.00 32.53 H new ATOM 0 HD21 ASN A 36 7.524 -1.033 4.163 1.00 74.53 H new ATOM 0 HD22 ASN A 36 7.509 -0.279 5.761 1.00 74.53 H new ATOM 548 N HIS A 37 7.169 4.710 6.973 1.00 24.42 N ATOM 549 CA HIS A 37 7.334 5.481 8.200 1.00 33.33 C ATOM 550 C HIS A 37 6.389 4.979 9.288 1.00 73.11 C ATOM 551 O HIS A 37 5.384 4.329 8.999 1.00 1.44 O ATOM 552 CB HIS A 37 7.080 6.965 7.933 1.00 62.41 C ATOM 553 CG HIS A 37 7.776 7.875 8.898 1.00 34.51 C ATOM 554 ND1 HIS A 37 7.254 8.204 10.131 1.00 20.34 N ATOM 555 CD2 HIS A 37 8.959 8.524 8.806 1.00 4.43 C ATOM 556 CE1 HIS A 37 8.086 9.018 10.756 1.00 50.13 C ATOM 557 NE2 HIS A 37 9.129 9.228 9.973 1.00 1.22 N ATOM 0 H HIS A 37 7.084 5.275 6.128 1.00 24.42 H new ATOM 0 HA HIS A 37 8.360 5.352 8.546 1.00 33.33 H new ATOM 0 HB2 HIS A 37 7.406 7.205 6.921 1.00 62.41 H new ATOM 0 HB3 HIS A 37 6.008 7.155 7.976 1.00 62.41 H new ATOM 0 HD1 HIS A 37 6.364 7.871 10.503 1.00 20.34 H new ATOM 0 HD2 HIS A 37 9.643 8.494 7.970 1.00 4.43 H new ATOM 0 HE1 HIS A 37 7.939 9.440 11.739 1.00 50.13 H new ATOM 565 N ALA A 38 6.718 5.284 10.539 1.00 45.23 N ATOM 566 CA ALA A 38 5.899 4.865 11.669 1.00 53.32 C ATOM 567 C ALA A 38 5.027 6.012 12.170 1.00 43.03 C ATOM 568 O ALA A 38 5.238 7.177 11.832 1.00 1.23 O ATOM 569 CB ALA A 38 6.779 4.339 12.793 1.00 72.33 C ATOM 0 H ALA A 38 7.547 5.820 10.795 1.00 45.23 H new ATOM 0 HA ALA A 38 5.242 4.063 11.332 1.00 53.32 H new ATOM 0 HB1 ALA A 38 6.154 4.030 13.630 1.00 72.33 H new ATOM 0 HB2 ALA A 38 7.355 3.485 12.435 1.00 72.33 H new ATOM 0 HB3 ALA A 38 7.460 5.125 13.120 1.00 72.33 H new ATOM 575 N PRO A 39 4.024 5.677 12.994 1.00 14.10 N ATOM 576 CA PRO A 39 3.100 6.665 13.559 1.00 52.32 C ATOM 577 C PRO A 39 3.774 7.567 14.587 1.00 14.51 C ATOM 578 O PRO A 39 3.996 7.166 15.730 1.00 71.50 O ATOM 579 CB PRO A 39 2.024 5.805 14.226 1.00 60.40 C ATOM 580 CG PRO A 39 2.707 4.518 14.536 1.00 21.51 C ATOM 581 CD PRO A 39 3.714 4.308 13.439 1.00 75.04 C ATOM 0 HA PRO A 39 2.712 7.342 12.798 1.00 52.32 H new ATOM 0 HB2 PRO A 39 1.643 6.279 15.131 1.00 60.40 H new ATOM 0 HB3 PRO A 39 1.172 5.652 13.563 1.00 60.40 H new ATOM 0 HG2 PRO A 39 3.194 4.560 15.510 1.00 21.51 H new ATOM 0 HG3 PRO A 39 1.992 3.696 14.572 1.00 21.51 H new ATOM 0 HD2 PRO A 39 4.603 3.793 13.803 1.00 75.04 H new ATOM 0 HD3 PRO A 39 3.305 3.705 12.628 1.00 75.04 H new ATOM 589 N LEU A 40 4.096 8.788 14.175 1.00 43.33 N ATOM 590 CA LEU A 40 4.745 9.749 15.061 1.00 71.31 C ATOM 591 C LEU A 40 4.308 11.173 14.733 1.00 3.03 C ATOM 592 O LEU A 40 4.129 11.526 13.567 1.00 41.11 O ATOM 593 CB LEU A 40 6.266 9.631 14.948 1.00 72.52 C ATOM 594 CG LEU A 40 7.050 9.781 16.252 1.00 35.11 C ATOM 595 CD1 LEU A 40 6.874 11.180 16.822 1.00 43.02 C ATOM 596 CD2 LEU A 40 6.609 8.732 17.263 1.00 12.41 C ATOM 0 H LEU A 40 3.918 9.136 13.233 1.00 43.33 H new ATOM 0 HA LEU A 40 4.445 9.523 16.084 1.00 71.31 H new ATOM 0 HB2 LEU A 40 6.504 8.660 14.514 1.00 72.52 H new ATOM 0 HB3 LEU A 40 6.618 10.388 14.247 1.00 72.52 H new ATOM 0 HG LEU A 40 8.108 9.628 16.038 1.00 35.11 H new ATOM 0 HD11 LEU A 40 7.439 11.269 17.750 1.00 43.02 H new ATOM 0 HD12 LEU A 40 7.239 11.914 16.104 1.00 43.02 H new ATOM 0 HD13 LEU A 40 5.818 11.361 17.022 1.00 43.02 H new ATOM 0 HD21 LEU A 40 7.177 8.854 18.185 1.00 12.41 H new ATOM 0 HD22 LEU A 40 5.546 8.853 17.473 1.00 12.41 H new ATOM 0 HD23 LEU A 40 6.787 7.737 16.856 1.00 12.41 H new ATOM 608 N LEU A 41 4.141 11.988 15.769 1.00 72.20 N ATOM 609 CA LEU A 41 3.727 13.376 15.592 1.00 65.43 C ATOM 610 C LEU A 41 4.921 14.318 15.706 1.00 2.25 C ATOM 611 O LEU A 41 5.838 14.084 16.494 1.00 23.13 O ATOM 612 CB LEU A 41 2.667 13.749 16.629 1.00 72.12 C ATOM 613 CG LEU A 41 2.963 13.335 18.071 1.00 50.23 C ATOM 614 CD1 LEU A 41 2.506 14.414 19.040 1.00 3.22 C ATOM 615 CD2 LEU A 41 2.293 12.008 18.393 1.00 33.41 C ATOM 0 H LEU A 41 4.286 11.712 16.740 1.00 72.20 H new ATOM 0 HA LEU A 41 3.301 13.478 14.594 1.00 65.43 H new ATOM 0 HB2 LEU A 41 2.528 14.830 16.604 1.00 72.12 H new ATOM 0 HB3 LEU A 41 1.721 13.298 16.330 1.00 72.12 H new ATOM 0 HG LEU A 41 4.040 13.211 18.179 1.00 50.23 H new ATOM 0 HD11 LEU A 41 2.725 14.102 20.061 1.00 3.22 H new ATOM 0 HD12 LEU A 41 3.032 15.344 18.824 1.00 3.22 H new ATOM 0 HD13 LEU A 41 1.433 14.571 18.930 1.00 3.22 H new ATOM 0 HD21 LEU A 41 2.515 11.729 19.423 1.00 33.41 H new ATOM 0 HD22 LEU A 41 1.215 12.105 18.267 1.00 33.41 H new ATOM 0 HD23 LEU A 41 2.669 11.238 17.720 1.00 33.41 H new ATOM 627 N THR A 42 4.903 15.387 14.917 1.00 54.44 N ATOM 628 CA THR A 42 5.982 16.366 14.930 1.00 42.31 C ATOM 629 C THR A 42 5.458 17.767 14.637 1.00 53.33 C ATOM 630 O THR A 42 4.282 17.946 14.320 1.00 1.53 O ATOM 631 CB THR A 42 7.073 16.013 13.902 1.00 44.34 C ATOM 632 OG1 THR A 42 6.550 15.109 12.923 1.00 71.23 O ATOM 633 CG2 THR A 42 8.279 15.386 14.586 1.00 51.34 C ATOM 0 H THR A 42 4.152 15.597 14.260 1.00 54.44 H new ATOM 0 HA THR A 42 6.415 16.345 15.930 1.00 42.31 H new ATOM 0 HB THR A 42 7.391 16.934 13.412 1.00 44.34 H new ATOM 0 HG1 THR A 42 7.250 14.891 12.272 1.00 71.23 H new ATOM 0 HG21 THR A 42 9.036 15.145 13.840 1.00 51.34 H new ATOM 0 HG22 THR A 42 8.693 16.088 15.309 1.00 51.34 H new ATOM 0 HG23 THR A 42 7.973 14.475 15.099 1.00 51.34 H new ATOM 641 N ALA A 43 6.337 18.758 14.743 1.00 24.23 N ATOM 642 CA ALA A 43 5.963 20.143 14.487 1.00 60.14 C ATOM 643 C ALA A 43 6.719 20.703 13.286 1.00 22.44 C ATOM 644 O ALA A 43 7.856 20.312 13.019 1.00 61.45 O ATOM 645 CB ALA A 43 6.220 20.996 15.720 1.00 43.33 C ATOM 0 H ALA A 43 7.314 18.627 15.005 1.00 24.23 H new ATOM 0 HA ALA A 43 4.898 20.169 14.257 1.00 60.14 H new ATOM 0 HB1 ALA A 43 5.936 22.028 15.514 1.00 43.33 H new ATOM 0 HB2 ALA A 43 5.630 20.617 16.554 1.00 43.33 H new ATOM 0 HB3 ALA A 43 7.279 20.955 15.976 1.00 43.33 H new ATOM 651 N LEU A 44 6.082 21.619 12.566 1.00 35.23 N ATOM 652 CA LEU A 44 6.694 22.232 11.393 1.00 1.41 C ATOM 653 C LEU A 44 6.415 23.732 11.354 1.00 24.55 C ATOM 654 O LEU A 44 5.401 24.197 11.873 1.00 23.01 O ATOM 655 CB LEU A 44 6.171 21.572 10.116 1.00 25.22 C ATOM 656 CG LEU A 44 7.233 21.064 9.140 1.00 24.23 C ATOM 657 CD1 LEU A 44 8.024 22.226 8.560 1.00 64.32 C ATOM 658 CD2 LEU A 44 8.162 20.075 9.830 1.00 4.41 C ATOM 0 H LEU A 44 5.141 21.954 12.774 1.00 35.23 H new ATOM 0 HA LEU A 44 7.772 22.083 11.457 1.00 1.41 H new ATOM 0 HB2 LEU A 44 5.535 20.733 10.399 1.00 25.22 H new ATOM 0 HB3 LEU A 44 5.539 22.289 9.593 1.00 25.22 H new ATOM 0 HG LEU A 44 6.730 20.549 8.321 1.00 24.23 H new ATOM 0 HD11 LEU A 44 8.775 21.845 7.868 1.00 64.32 H new ATOM 0 HD12 LEU A 44 7.349 22.897 8.030 1.00 64.32 H new ATOM 0 HD13 LEU A 44 8.516 22.770 9.366 1.00 64.32 H new ATOM 0 HD21 LEU A 44 8.911 19.724 9.121 1.00 4.41 H new ATOM 0 HD22 LEU A 44 8.657 20.565 10.668 1.00 4.41 H new ATOM 0 HD23 LEU A 44 7.583 19.227 10.196 1.00 4.41 H new ATOM 670 N GLU A 45 7.322 24.481 10.735 1.00 53.04 N ATOM 671 CA GLU A 45 7.172 25.928 10.627 1.00 34.54 C ATOM 672 C GLU A 45 6.806 26.332 9.202 1.00 3.52 C ATOM 673 O GLU A 45 6.870 25.521 8.278 1.00 41.43 O ATOM 674 CB GLU A 45 8.463 26.629 11.054 1.00 54.52 C ATOM 675 CG GLU A 45 8.231 27.964 11.743 1.00 71.31 C ATOM 676 CD GLU A 45 9.055 28.118 13.007 1.00 54.43 C ATOM 677 OE1 GLU A 45 10.241 28.492 12.900 1.00 2.02 O ATOM 678 OE2 GLU A 45 8.511 27.866 14.103 1.00 65.34 O ATOM 0 H GLU A 45 8.168 24.111 10.301 1.00 53.04 H new ATOM 0 HA GLU A 45 6.364 26.235 11.291 1.00 34.54 H new ATOM 0 HB2 GLU A 45 9.017 25.974 11.726 1.00 54.52 H new ATOM 0 HB3 GLU A 45 9.089 26.787 10.175 1.00 54.52 H new ATOM 0 HG2 GLU A 45 8.475 28.772 11.053 1.00 71.31 H new ATOM 0 HG3 GLU A 45 7.174 28.063 11.988 1.00 71.31 H new ATOM 685 N THR A 46 6.422 27.594 9.032 1.00 63.24 N ATOM 686 CA THR A 46 6.045 28.107 7.721 1.00 51.22 C ATOM 687 C THR A 46 7.120 27.807 6.683 1.00 50.35 C ATOM 688 O THR A 46 8.314 27.887 6.970 1.00 75.03 O ATOM 689 CB THR A 46 5.797 29.627 7.763 1.00 64.13 C ATOM 690 OG1 THR A 46 5.467 30.106 6.454 1.00 23.22 O ATOM 691 CG2 THR A 46 7.024 30.361 8.282 1.00 23.13 C ATOM 0 H THR A 46 6.364 28.279 9.786 1.00 63.24 H new ATOM 0 HA THR A 46 5.121 27.603 7.438 1.00 51.22 H new ATOM 0 HB THR A 46 4.965 29.819 8.440 1.00 64.13 H new ATOM 0 HG1 THR A 46 5.466 31.086 6.455 1.00 23.22 H new ATOM 0 HG21 THR A 46 6.825 31.433 8.303 1.00 23.13 H new ATOM 0 HG22 THR A 46 7.256 30.015 9.289 1.00 23.13 H new ATOM 0 HG23 THR A 46 7.872 30.162 7.626 1.00 23.13 H new ATOM 699 N GLY A 47 6.688 27.462 5.473 1.00 45.40 N ATOM 700 CA GLY A 47 7.628 27.156 4.410 1.00 54.42 C ATOM 701 C GLY A 47 7.043 26.218 3.373 1.00 65.23 C ATOM 702 O GLY A 47 5.919 25.740 3.521 1.00 73.23 O ATOM 0 H GLY A 47 5.705 27.389 5.210 1.00 45.40 H new ATOM 0 HA2 GLY A 47 7.938 28.082 3.925 1.00 54.42 H new ATOM 0 HA3 GLY A 47 8.523 26.706 4.839 1.00 54.42 H new ATOM 706 N VAL A 48 7.808 25.954 2.318 1.00 24.31 N ATOM 707 CA VAL A 48 7.360 25.067 1.251 1.00 21.54 C ATOM 708 C VAL A 48 7.966 23.676 1.402 1.00 22.22 C ATOM 709 O VAL A 48 8.991 23.503 2.061 1.00 31.54 O ATOM 710 CB VAL A 48 7.727 25.627 -0.136 1.00 33.33 C ATOM 711 CG1 VAL A 48 6.908 26.871 -0.443 1.00 0.34 C ATOM 712 CG2 VAL A 48 9.216 25.926 -0.212 1.00 62.03 C ATOM 0 H VAL A 48 8.741 26.342 2.180 1.00 24.31 H new ATOM 0 HA VAL A 48 6.275 24.998 1.331 1.00 21.54 H new ATOM 0 HB VAL A 48 7.493 24.873 -0.887 1.00 33.33 H new ATOM 0 HG11 VAL A 48 7.181 27.253 -1.427 1.00 0.34 H new ATOM 0 HG12 VAL A 48 5.847 26.620 -0.433 1.00 0.34 H new ATOM 0 HG13 VAL A 48 7.108 27.633 0.310 1.00 0.34 H new ATOM 0 HG21 VAL A 48 9.458 26.321 -1.199 1.00 62.03 H new ATOM 0 HG22 VAL A 48 9.479 26.662 0.548 1.00 62.03 H new ATOM 0 HG23 VAL A 48 9.780 25.010 -0.040 1.00 62.03 H new ATOM 722 N MET A 49 7.326 22.687 0.786 1.00 1.42 N ATOM 723 CA MET A 49 7.804 21.311 0.851 1.00 74.04 C ATOM 724 C MET A 49 7.826 20.678 -0.537 1.00 31.21 C ATOM 725 O MET A 49 7.048 21.055 -1.414 1.00 23.52 O ATOM 726 CB MET A 49 6.919 20.485 1.787 1.00 42.03 C ATOM 727 CG MET A 49 5.431 20.710 1.573 1.00 42.41 C ATOM 728 SD MET A 49 4.442 19.263 1.993 1.00 20.34 S ATOM 729 CE MET A 49 3.324 19.199 0.596 1.00 70.14 C ATOM 0 H MET A 49 6.476 22.813 0.237 1.00 1.42 H new ATOM 0 HA MET A 49 8.821 21.324 1.242 1.00 74.04 H new ATOM 0 HB2 MET A 49 7.142 19.428 1.645 1.00 42.03 H new ATOM 0 HB3 MET A 49 7.170 20.728 2.819 1.00 42.03 H new ATOM 0 HG2 MET A 49 5.105 21.556 2.178 1.00 42.41 H new ATOM 0 HG3 MET A 49 5.254 20.976 0.531 1.00 42.41 H new ATOM 0 HE1 MET A 49 3.011 18.169 0.427 1.00 70.14 H new ATOM 0 HE2 MET A 49 2.449 19.815 0.802 1.00 70.14 H new ATOM 0 HE3 MET A 49 3.831 19.574 -0.293 1.00 70.14 H new ATOM 739 N ARG A 50 8.722 19.715 -0.729 1.00 34.12 N ATOM 740 CA ARG A 50 8.846 19.031 -2.010 1.00 54.14 C ATOM 741 C ARG A 50 8.257 17.625 -1.936 1.00 14.42 C ATOM 742 O ARG A 50 8.785 16.756 -1.243 1.00 73.50 O ATOM 743 CB ARG A 50 10.314 18.959 -2.434 1.00 32.50 C ATOM 744 CG ARG A 50 10.518 18.392 -3.829 1.00 72.44 C ATOM 745 CD ARG A 50 11.550 19.190 -4.610 1.00 25.14 C ATOM 746 NE ARG A 50 11.084 20.541 -4.911 1.00 62.44 N ATOM 747 CZ ARG A 50 11.789 21.422 -5.612 1.00 72.24 C ATOM 748 NH1 ARG A 50 12.985 21.096 -6.082 1.00 3.13 N ATOM 749 NH2 ARG A 50 11.297 22.632 -5.846 1.00 34.23 N ATOM 0 H ARG A 50 9.373 19.391 -0.013 1.00 34.12 H new ATOM 0 HA ARG A 50 8.288 19.601 -2.753 1.00 54.14 H new ATOM 0 HB2 ARG A 50 10.745 19.959 -2.391 1.00 32.50 H new ATOM 0 HB3 ARG A 50 10.860 18.345 -1.718 1.00 32.50 H new ATOM 0 HG2 ARG A 50 10.839 17.353 -3.757 1.00 72.44 H new ATOM 0 HG3 ARG A 50 9.570 18.397 -4.367 1.00 72.44 H new ATOM 0 HD2 ARG A 50 12.475 19.245 -4.037 1.00 25.14 H new ATOM 0 HD3 ARG A 50 11.782 18.671 -5.540 1.00 25.14 H new ATOM 0 HE ARG A 50 10.167 20.823 -4.564 1.00 62.44 H new ATOM 0 HH11 ARG A 50 13.366 20.166 -5.906 1.00 3.13 H new ATOM 0 HH12 ARG A 50 13.524 21.775 -6.620 1.00 3.13 H new ATOM 0 HH21 ARG A 50 10.377 22.886 -5.487 1.00 34.23 H new ATOM 0 HH22 ARG A 50 11.839 23.308 -6.384 1.00 34.23 H new ATOM 763 N VAL A 51 7.159 17.411 -2.654 1.00 33.53 N ATOM 764 CA VAL A 51 6.498 16.111 -2.670 1.00 32.04 C ATOM 765 C VAL A 51 6.999 15.254 -3.826 1.00 62.43 C ATOM 766 O VAL A 51 7.137 15.732 -4.952 1.00 61.34 O ATOM 767 CB VAL A 51 4.969 16.260 -2.781 1.00 11.13 C ATOM 768 CG1 VAL A 51 4.287 14.912 -2.607 1.00 34.20 C ATOM 769 CG2 VAL A 51 4.456 17.262 -1.757 1.00 40.14 C ATOM 0 H VAL A 51 6.709 18.121 -3.232 1.00 33.53 H new ATOM 0 HA VAL A 51 6.740 15.621 -1.727 1.00 32.04 H new ATOM 0 HB VAL A 51 4.729 16.636 -3.776 1.00 11.13 H new ATOM 0 HG11 VAL A 51 3.207 15.037 -2.689 1.00 34.20 H new ATOM 0 HG12 VAL A 51 4.632 14.227 -3.381 1.00 34.20 H new ATOM 0 HG13 VAL A 51 4.532 14.504 -1.626 1.00 34.20 H new ATOM 0 HG21 VAL A 51 3.374 17.355 -1.849 1.00 40.14 H new ATOM 0 HG22 VAL A 51 4.706 16.917 -0.754 1.00 40.14 H new ATOM 0 HG23 VAL A 51 4.920 18.232 -1.933 1.00 40.14 H new ATOM 779 N ARG A 52 7.270 13.984 -3.541 1.00 11.23 N ATOM 780 CA ARG A 52 7.757 13.060 -4.557 1.00 71.52 C ATOM 781 C ARG A 52 7.067 11.704 -4.435 1.00 13.23 C ATOM 782 O ARG A 52 7.308 10.958 -3.486 1.00 14.52 O ATOM 783 CB ARG A 52 9.272 12.885 -4.435 1.00 12.21 C ATOM 784 CG ARG A 52 10.056 14.154 -4.726 1.00 43.11 C ATOM 785 CD ARG A 52 11.253 14.294 -3.798 1.00 50.54 C ATOM 786 NE ARG A 52 12.356 13.422 -4.192 1.00 31.32 N ATOM 787 CZ ARG A 52 13.149 13.662 -5.230 1.00 0.21 C ATOM 788 NH1 ARG A 52 12.962 14.743 -5.975 1.00 4.25 N ATOM 789 NH2 ARG A 52 14.132 12.821 -5.525 1.00 33.34 N ATOM 0 H ARG A 52 7.160 13.572 -2.614 1.00 11.23 H new ATOM 0 HA ARG A 52 7.524 13.481 -5.535 1.00 71.52 H new ATOM 0 HB2 ARG A 52 9.510 12.544 -3.428 1.00 12.21 H new ATOM 0 HB3 ARG A 52 9.595 12.102 -5.121 1.00 12.21 H new ATOM 0 HG2 ARG A 52 10.396 14.144 -5.761 1.00 43.11 H new ATOM 0 HG3 ARG A 52 9.404 15.020 -4.614 1.00 43.11 H new ATOM 0 HD2 ARG A 52 11.592 15.330 -3.798 1.00 50.54 H new ATOM 0 HD3 ARG A 52 10.950 14.057 -2.778 1.00 50.54 H new ATOM 0 HE ARG A 52 12.527 12.582 -3.639 1.00 31.32 H new ATOM 0 HH11 ARG A 52 12.208 15.392 -5.751 1.00 4.25 H new ATOM 0 HH12 ARG A 52 13.572 14.925 -6.772 1.00 4.25 H new ATOM 0 HH21 ARG A 52 14.280 11.989 -4.954 1.00 33.34 H new ATOM 0 HH22 ARG A 52 14.740 13.007 -6.323 1.00 33.34 H new ATOM 803 N GLN A 53 6.208 11.394 -5.400 1.00 71.25 N ATOM 804 CA GLN A 53 5.482 10.129 -5.399 1.00 43.03 C ATOM 805 C GLN A 53 6.318 9.021 -6.032 1.00 41.31 C ATOM 806 O GLN A 53 6.202 7.853 -5.661 1.00 14.32 O ATOM 807 CB GLN A 53 4.157 10.276 -6.150 1.00 4.34 C ATOM 808 CG GLN A 53 3.166 11.199 -5.458 1.00 61.44 C ATOM 809 CD GLN A 53 2.271 11.932 -6.438 1.00 2.54 C ATOM 810 OE1 GLN A 53 2.636 12.986 -6.960 1.00 12.20 O ATOM 811 NE2 GLN A 53 1.092 11.378 -6.692 1.00 53.10 N ATOM 0 H GLN A 53 5.997 12.001 -6.192 1.00 71.25 H new ATOM 0 HA GLN A 53 5.277 9.858 -4.363 1.00 43.03 H new ATOM 0 HB2 GLN A 53 4.357 10.656 -7.152 1.00 4.34 H new ATOM 0 HB3 GLN A 53 3.704 9.292 -6.267 1.00 4.34 H new ATOM 0 HG2 GLN A 53 2.549 10.616 -4.774 1.00 61.44 H new ATOM 0 HG3 GLN A 53 3.711 11.926 -4.856 1.00 61.44 H new ATOM 0 HE21 GLN A 53 0.831 10.503 -6.237 1.00 53.10 H new ATOM 0 HE22 GLN A 53 0.447 11.827 -7.343 1.00 53.10 H new ATOM 820 N ASP A 54 7.160 9.396 -6.989 1.00 20.40 N ATOM 821 CA ASP A 54 8.016 8.434 -7.673 1.00 63.33 C ATOM 822 C ASP A 54 8.897 9.129 -8.706 1.00 45.22 C ATOM 823 O ASP A 54 10.111 9.239 -8.528 1.00 53.42 O ATOM 824 CB ASP A 54 7.169 7.356 -8.351 1.00 32.34 C ATOM 825 CG ASP A 54 7.165 6.051 -7.578 1.00 2.54 C ATOM 826 OD1 ASP A 54 8.259 5.587 -7.194 1.00 33.14 O ATOM 827 OD2 ASP A 54 6.069 5.495 -7.357 1.00 71.14 O ATOM 0 H ASP A 54 7.268 10.359 -7.308 1.00 20.40 H new ATOM 0 HA ASP A 54 8.659 7.965 -6.929 1.00 63.33 H new ATOM 0 HB2 ASP A 54 6.145 7.715 -8.457 1.00 32.34 H new ATOM 0 HB3 ASP A 54 7.550 7.178 -9.357 1.00 32.34 H new ATOM 832 N ARG A 55 8.279 9.596 -9.786 1.00 61.52 N ATOM 833 CA ARG A 55 9.007 10.278 -10.849 1.00 5.12 C ATOM 834 C ARG A 55 8.575 11.738 -10.954 1.00 32.51 C ATOM 835 O ARG A 55 9.336 12.588 -11.414 1.00 14.33 O ATOM 836 CB ARG A 55 8.782 9.571 -12.186 1.00 64.34 C ATOM 837 CG ARG A 55 7.333 9.581 -12.644 1.00 61.14 C ATOM 838 CD ARG A 55 7.112 8.635 -13.815 1.00 0.34 C ATOM 839 NE ARG A 55 6.272 9.232 -14.850 1.00 3.34 N ATOM 840 CZ ARG A 55 5.861 8.578 -15.930 1.00 50.22 C ATOM 841 NH1 ARG A 55 6.210 7.313 -16.116 1.00 32.41 N ATOM 842 NH2 ARG A 55 5.099 9.190 -16.827 1.00 75.04 N ATOM 0 H ARG A 55 7.275 9.514 -9.948 1.00 61.52 H new ATOM 0 HA ARG A 55 10.069 10.248 -10.605 1.00 5.12 H new ATOM 0 HB2 ARG A 55 9.398 10.048 -12.948 1.00 64.34 H new ATOM 0 HB3 ARG A 55 9.121 8.538 -12.103 1.00 64.34 H new ATOM 0 HG2 ARG A 55 6.686 9.293 -11.815 1.00 61.14 H new ATOM 0 HG3 ARG A 55 7.049 10.593 -12.933 1.00 61.14 H new ATOM 0 HD2 ARG A 55 8.075 8.359 -14.244 1.00 0.34 H new ATOM 0 HD3 ARG A 55 6.648 7.716 -13.456 1.00 0.34 H new ATOM 0 HE ARG A 55 5.985 10.204 -14.737 1.00 3.34 H new ATOM 0 HH11 ARG A 55 6.796 6.839 -15.428 1.00 32.41 H new ATOM 0 HH12 ARG A 55 5.893 6.813 -16.947 1.00 32.41 H new ATOM 0 HH21 ARG A 55 4.829 10.164 -16.687 1.00 75.04 H new ATOM 0 HH22 ARG A 55 4.784 8.687 -17.656 1.00 75.04 H new ATOM 856 N GLU A 56 7.348 12.018 -10.525 1.00 2.21 N ATOM 857 CA GLU A 56 6.815 13.374 -10.573 1.00 13.54 C ATOM 858 C GLU A 56 7.178 14.147 -9.308 1.00 23.13 C ATOM 859 O GLU A 56 7.762 13.593 -8.376 1.00 44.22 O ATOM 860 CB GLU A 56 5.295 13.343 -10.745 1.00 33.33 C ATOM 861 CG GLU A 56 4.559 12.759 -9.550 1.00 51.50 C ATOM 862 CD GLU A 56 3.183 12.235 -9.912 1.00 31.24 C ATOM 863 OE1 GLU A 56 2.435 12.957 -10.603 1.00 71.32 O ATOM 864 OE2 GLU A 56 2.855 11.101 -9.503 1.00 14.34 O ATOM 0 H GLU A 56 6.706 11.325 -10.141 1.00 2.21 H new ATOM 0 HA GLU A 56 7.260 13.881 -11.429 1.00 13.54 H new ATOM 0 HB2 GLU A 56 4.937 14.357 -10.921 1.00 33.33 H new ATOM 0 HB3 GLU A 56 5.050 12.760 -11.633 1.00 33.33 H new ATOM 0 HG2 GLU A 56 5.151 11.950 -9.123 1.00 51.50 H new ATOM 0 HG3 GLU A 56 4.461 13.523 -8.779 1.00 51.50 H new ATOM 871 N TRP A 57 6.829 15.428 -9.283 1.00 70.13 N ATOM 872 CA TRP A 57 7.119 16.277 -8.133 1.00 52.14 C ATOM 873 C TRP A 57 6.046 17.346 -7.962 1.00 55.52 C ATOM 874 O TRP A 57 5.486 17.841 -8.941 1.00 44.02 O ATOM 875 CB TRP A 57 8.491 16.935 -8.292 1.00 34.30 C ATOM 876 CG TRP A 57 8.606 17.778 -9.526 1.00 21.04 C ATOM 877 CD1 TRP A 57 8.769 17.337 -10.808 1.00 22.33 C ATOM 878 CD2 TRP A 57 8.569 19.208 -9.593 1.00 23.41 C ATOM 879 NE1 TRP A 57 8.836 18.406 -11.668 1.00 40.00 N ATOM 880 CE2 TRP A 57 8.715 19.565 -10.948 1.00 30.23 C ATOM 881 CE3 TRP A 57 8.425 20.221 -8.641 1.00 62.42 C ATOM 882 CZ2 TRP A 57 8.722 20.891 -11.371 1.00 12.21 C ATOM 883 CZ3 TRP A 57 8.433 21.537 -9.063 1.00 35.42 C ATOM 884 CH2 TRP A 57 8.579 21.863 -10.418 1.00 21.44 C ATOM 0 H TRP A 57 6.345 15.902 -10.046 1.00 70.13 H new ATOM 0 HA TRP A 57 7.126 15.649 -7.242 1.00 52.14 H new ATOM 0 HB2 TRP A 57 8.693 17.554 -7.418 1.00 34.30 H new ATOM 0 HB3 TRP A 57 9.257 16.160 -8.317 1.00 34.30 H new ATOM 0 HD1 TRP A 57 8.835 16.300 -11.103 1.00 22.33 H new ATOM 0 HE1 TRP A 57 8.956 18.346 -12.679 1.00 40.00 H new ATOM 0 HE3 TRP A 57 8.310 19.980 -7.595 1.00 62.42 H new ATOM 0 HZ2 TRP A 57 8.836 21.144 -12.415 1.00 12.21 H new ATOM 0 HZ3 TRP A 57 8.325 22.328 -8.336 1.00 35.42 H new ATOM 0 HH2 TRP A 57 8.579 22.901 -10.716 1.00 21.44 H new ATOM 895 N VAL A 58 5.762 17.700 -6.712 1.00 60.35 N ATOM 896 CA VAL A 58 4.756 18.712 -6.414 1.00 21.04 C ATOM 897 C VAL A 58 5.150 19.534 -5.191 1.00 72.24 C ATOM 898 O VAL A 58 5.334 18.994 -4.101 1.00 12.01 O ATOM 899 CB VAL A 58 3.375 18.076 -6.168 1.00 22.43 C ATOM 900 CG1 VAL A 58 2.311 19.152 -6.012 1.00 24.42 C ATOM 901 CG2 VAL A 58 3.019 17.122 -7.299 1.00 4.44 C ATOM 0 H VAL A 58 6.215 17.301 -5.890 1.00 60.35 H new ATOM 0 HA VAL A 58 4.696 19.365 -7.284 1.00 21.04 H new ATOM 0 HB VAL A 58 3.418 17.504 -5.241 1.00 22.43 H new ATOM 0 HG11 VAL A 58 1.342 18.683 -5.839 1.00 24.42 H new ATOM 0 HG12 VAL A 58 2.561 19.791 -5.165 1.00 24.42 H new ATOM 0 HG13 VAL A 58 2.266 19.754 -6.920 1.00 24.42 H new ATOM 0 HG21 VAL A 58 2.040 16.682 -7.109 1.00 4.44 H new ATOM 0 HG22 VAL A 58 2.994 17.669 -8.242 1.00 4.44 H new ATOM 0 HG23 VAL A 58 3.767 16.332 -7.357 1.00 4.44 H new ATOM 911 N ALA A 59 5.277 20.843 -5.381 1.00 73.03 N ATOM 912 CA ALA A 59 5.646 21.740 -4.294 1.00 0.43 C ATOM 913 C ALA A 59 4.420 22.448 -3.725 1.00 64.43 C ATOM 914 O ALA A 59 3.547 22.892 -4.471 1.00 44.33 O ATOM 915 CB ALA A 59 6.670 22.758 -4.774 1.00 13.40 C ATOM 0 H ALA A 59 5.130 21.306 -6.278 1.00 73.03 H new ATOM 0 HA ALA A 59 6.090 21.142 -3.498 1.00 0.43 H new ATOM 0 HB1 ALA A 59 6.936 23.422 -3.951 1.00 13.40 H new ATOM 0 HB2 ALA A 59 7.562 22.239 -5.125 1.00 13.40 H new ATOM 0 HB3 ALA A 59 6.246 23.344 -5.590 1.00 13.40 H new ATOM 921 N ILE A 60 4.361 22.547 -2.402 1.00 4.23 N ATOM 922 CA ILE A 60 3.242 23.201 -1.734 1.00 64.24 C ATOM 923 C ILE A 60 3.729 24.124 -0.623 1.00 13.33 C ATOM 924 O ILE A 60 4.708 23.827 0.061 1.00 51.41 O ATOM 925 CB ILE A 60 2.263 22.172 -1.140 1.00 34.00 C ATOM 926 CG1 ILE A 60 1.738 21.242 -2.236 1.00 41.21 C ATOM 927 CG2 ILE A 60 1.111 22.879 -0.442 1.00 54.41 C ATOM 928 CD1 ILE A 60 0.781 20.188 -1.727 1.00 33.41 C ATOM 0 H ILE A 60 5.075 22.183 -1.771 1.00 4.23 H new ATOM 0 HA ILE A 60 2.723 23.790 -2.490 1.00 64.24 H new ATOM 0 HB ILE A 60 2.795 21.570 -0.403 1.00 34.00 H new ATOM 0 HG12 ILE A 60 1.237 21.839 -2.998 1.00 41.21 H new ATOM 0 HG13 ILE A 60 2.582 20.751 -2.720 1.00 41.21 H new ATOM 0 HG21 ILE A 60 0.427 22.138 -0.027 1.00 54.41 H new ATOM 0 HG22 ILE A 60 1.501 23.503 0.362 1.00 54.41 H new ATOM 0 HG23 ILE A 60 0.578 23.503 -1.160 1.00 54.41 H new ATOM 0 HD11 ILE A 60 0.450 19.565 -2.558 1.00 33.41 H new ATOM 0 HD12 ILE A 60 1.284 19.567 -0.986 1.00 33.41 H new ATOM 0 HD13 ILE A 60 -0.082 20.671 -1.269 1.00 33.41 H new ATOM 940 N ALA A 61 3.036 25.245 -0.447 1.00 3.04 N ATOM 941 CA ALA A 61 3.395 26.210 0.585 1.00 51.52 C ATOM 942 C ALA A 61 2.346 26.247 1.691 1.00 21.01 C ATOM 943 O ALA A 61 1.146 26.166 1.426 1.00 70.21 O ATOM 944 CB ALA A 61 3.570 27.593 -0.025 1.00 1.52 C ATOM 0 H ALA A 61 2.224 25.507 -1.005 1.00 3.04 H new ATOM 0 HA ALA A 61 4.341 25.897 1.028 1.00 51.52 H new ATOM 0 HB1 ALA A 61 3.838 28.304 0.756 1.00 1.52 H new ATOM 0 HB2 ALA A 61 4.361 27.563 -0.775 1.00 1.52 H new ATOM 0 HB3 ALA A 61 2.637 27.904 -0.494 1.00 1.52 H new ATOM 950 N LEU A 62 2.806 26.369 2.932 1.00 74.34 N ATOM 951 CA LEU A 62 1.906 26.415 4.079 1.00 4.34 C ATOM 952 C LEU A 62 2.568 27.116 5.261 1.00 3.25 C ATOM 953 O LEU A 62 3.747 26.901 5.542 1.00 0.42 O ATOM 954 CB LEU A 62 1.486 25.000 4.481 1.00 44.31 C ATOM 955 CG LEU A 62 2.605 24.083 4.976 1.00 1.25 C ATOM 956 CD1 LEU A 62 2.320 23.611 6.394 1.00 74.24 C ATOM 957 CD2 LEU A 62 2.775 22.895 4.040 1.00 1.55 C ATOM 0 H LEU A 62 3.796 26.438 3.169 1.00 74.34 H new ATOM 0 HA LEU A 62 1.020 26.982 3.792 1.00 4.34 H new ATOM 0 HB2 LEU A 62 0.732 25.075 5.264 1.00 44.31 H new ATOM 0 HB3 LEU A 62 1.008 24.527 3.623 1.00 44.31 H new ATOM 0 HG LEU A 62 3.536 24.649 4.984 1.00 1.25 H new ATOM 0 HD11 LEU A 62 3.127 22.959 6.730 1.00 74.24 H new ATOM 0 HD12 LEU A 62 2.250 24.473 7.057 1.00 74.24 H new ATOM 0 HD13 LEU A 62 1.379 23.062 6.412 1.00 74.24 H new ATOM 0 HD21 LEU A 62 3.576 22.253 4.408 1.00 1.55 H new ATOM 0 HD22 LEU A 62 1.845 22.328 3.999 1.00 1.55 H new ATOM 0 HD23 LEU A 62 3.026 23.252 3.041 1.00 1.55 H new ATOM 969 N MET A 63 1.801 27.953 5.952 1.00 52.33 N ATOM 970 CA MET A 63 2.312 28.683 7.106 1.00 3.11 C ATOM 971 C MET A 63 2.557 27.741 8.280 1.00 23.42 C ATOM 972 O MET A 63 2.512 26.520 8.129 1.00 11.51 O ATOM 973 CB MET A 63 1.332 29.783 7.516 1.00 13.42 C ATOM 974 CG MET A 63 2.009 31.088 7.903 1.00 42.25 C ATOM 975 SD MET A 63 1.612 32.438 6.775 1.00 72.44 S ATOM 976 CE MET A 63 3.078 32.462 5.746 1.00 71.11 C ATOM 0 H MET A 63 0.823 28.142 5.733 1.00 52.33 H new ATOM 0 HA MET A 63 3.261 29.139 6.824 1.00 3.11 H new ATOM 0 HB2 MET A 63 0.644 29.971 6.692 1.00 13.42 H new ATOM 0 HB3 MET A 63 0.734 29.430 8.356 1.00 13.42 H new ATOM 0 HG2 MET A 63 1.707 31.364 8.914 1.00 42.25 H new ATOM 0 HG3 MET A 63 3.089 30.941 7.922 1.00 42.25 H new ATOM 0 HE1 MET A 63 2.983 33.247 4.996 1.00 71.11 H new ATOM 0 HE2 MET A 63 3.954 32.655 6.365 1.00 71.11 H new ATOM 0 HE3 MET A 63 3.190 31.498 5.250 1.00 71.11 H new ATOM 986 N GLY A 64 2.817 28.315 9.451 1.00 44.33 N ATOM 987 CA GLY A 64 3.066 27.511 10.633 1.00 40.21 C ATOM 988 C GLY A 64 1.980 26.481 10.872 1.00 1.14 C ATOM 989 O GLY A 64 0.801 26.747 10.644 1.00 11.44 O ATOM 0 H GLY A 64 2.860 29.323 9.602 1.00 44.33 H new ATOM 0 HA2 GLY A 64 4.026 27.005 10.529 1.00 40.21 H new ATOM 0 HA3 GLY A 64 3.142 28.163 11.503 1.00 40.21 H new ATOM 993 N GLY A 65 2.379 25.299 11.332 1.00 32.15 N ATOM 994 CA GLY A 65 1.419 24.242 11.593 1.00 12.34 C ATOM 995 C GLY A 65 2.058 23.020 12.222 1.00 42.20 C ATOM 996 O GLY A 65 3.202 23.073 12.675 1.00 32.32 O ATOM 0 H GLY A 65 3.350 25.055 11.529 1.00 32.15 H new ATOM 0 HA2 GLY A 65 0.638 24.620 12.253 1.00 12.34 H new ATOM 0 HA3 GLY A 65 0.936 23.955 10.659 1.00 12.34 H new ATOM 1000 N PHE A 66 1.319 21.916 12.251 1.00 13.55 N ATOM 1001 CA PHE A 66 1.819 20.676 12.832 1.00 44.00 C ATOM 1002 C PHE A 66 1.683 19.520 11.845 1.00 30.15 C ATOM 1003 O PHE A 66 0.699 19.428 11.112 1.00 11.53 O ATOM 1004 CB PHE A 66 1.065 20.351 14.123 1.00 1.30 C ATOM 1005 CG PHE A 66 1.741 20.871 15.359 1.00 2.43 C ATOM 1006 CD1 PHE A 66 1.763 22.229 15.634 1.00 43.32 C ATOM 1007 CD2 PHE A 66 2.355 20.002 16.247 1.00 43.33 C ATOM 1008 CE1 PHE A 66 2.384 22.711 16.771 1.00 43.22 C ATOM 1009 CE2 PHE A 66 2.977 20.478 17.385 1.00 4.23 C ATOM 1010 CZ PHE A 66 2.993 21.834 17.647 1.00 1.41 C ATOM 0 H PHE A 66 0.371 21.855 11.879 1.00 13.55 H new ATOM 0 HA PHE A 66 2.876 20.812 13.062 1.00 44.00 H new ATOM 0 HB2 PHE A 66 0.061 20.771 14.064 1.00 1.30 H new ATOM 0 HB3 PHE A 66 0.954 19.270 14.207 1.00 1.30 H new ATOM 0 HD1 PHE A 66 1.289 22.919 14.952 1.00 43.32 H new ATOM 0 HD2 PHE A 66 2.347 18.941 16.047 1.00 43.33 H new ATOM 0 HE1 PHE A 66 2.393 23.772 16.974 1.00 43.22 H new ATOM 0 HE2 PHE A 66 3.451 19.790 18.070 1.00 4.23 H new ATOM 0 HZ PHE A 66 3.481 22.208 18.535 1.00 1.41 H new ATOM 1020 N ALA A 67 2.679 18.640 11.833 1.00 34.45 N ATOM 1021 CA ALA A 67 2.670 17.489 10.939 1.00 71.20 C ATOM 1022 C ALA A 67 2.742 16.183 11.724 1.00 43.25 C ATOM 1023 O ALA A 67 3.593 16.021 12.597 1.00 22.44 O ATOM 1024 CB ALA A 67 3.825 17.579 9.952 1.00 34.43 C ATOM 0 H ALA A 67 3.502 18.702 12.432 1.00 34.45 H new ATOM 0 HA ALA A 67 1.731 17.497 10.385 1.00 71.20 H new ATOM 0 HB1 ALA A 67 3.806 16.713 9.290 1.00 34.43 H new ATOM 0 HB2 ALA A 67 3.728 18.490 9.361 1.00 34.43 H new ATOM 0 HB3 ALA A 67 4.769 17.599 10.497 1.00 34.43 H new ATOM 1030 N GLU A 68 1.844 15.256 11.406 1.00 53.43 N ATOM 1031 CA GLU A 68 1.806 13.966 12.083 1.00 21.31 C ATOM 1032 C GLU A 68 1.501 12.842 11.097 1.00 55.23 C ATOM 1033 O GLU A 68 0.429 12.806 10.492 1.00 40.54 O ATOM 1034 CB GLU A 68 0.758 13.980 13.198 1.00 73.05 C ATOM 1035 CG GLU A 68 -0.566 14.599 12.780 1.00 4.34 C ATOM 1036 CD GLU A 68 -0.847 15.908 13.493 1.00 55.04 C ATOM 1037 OE1 GLU A 68 -0.441 16.967 12.970 1.00 64.22 O ATOM 1038 OE2 GLU A 68 -1.474 15.874 14.572 1.00 31.31 O ATOM 0 H GLU A 68 1.133 15.375 10.684 1.00 53.43 H new ATOM 0 HA GLU A 68 2.788 13.786 12.520 1.00 21.31 H new ATOM 0 HB2 GLU A 68 0.582 12.958 13.533 1.00 73.05 H new ATOM 0 HB3 GLU A 68 1.154 14.531 14.051 1.00 73.05 H new ATOM 0 HG2 GLU A 68 -0.560 14.770 11.703 1.00 4.34 H new ATOM 0 HG3 GLU A 68 -1.373 13.896 12.987 1.00 4.34 H new ATOM 1045 N VAL A 69 2.451 11.926 10.940 1.00 73.05 N ATOM 1046 CA VAL A 69 2.284 10.801 10.028 1.00 62.45 C ATOM 1047 C VAL A 69 2.042 9.504 10.793 1.00 43.44 C ATOM 1048 O VAL A 69 2.587 9.302 11.877 1.00 23.20 O ATOM 1049 CB VAL A 69 3.517 10.626 9.121 1.00 52.25 C ATOM 1050 CG1 VAL A 69 4.660 9.983 9.891 1.00 72.45 C ATOM 1051 CG2 VAL A 69 3.161 9.803 7.891 1.00 1.44 C ATOM 0 H VAL A 69 3.344 11.941 11.432 1.00 73.05 H new ATOM 0 HA VAL A 69 1.415 11.022 9.409 1.00 62.45 H new ATOM 0 HB VAL A 69 3.845 11.611 8.788 1.00 52.25 H new ATOM 0 HG11 VAL A 69 5.522 9.868 9.234 1.00 72.45 H new ATOM 0 HG12 VAL A 69 4.930 10.616 10.736 1.00 72.45 H new ATOM 0 HG13 VAL A 69 4.348 9.004 10.255 1.00 72.45 H new ATOM 0 HG21 VAL A 69 4.043 9.689 7.261 1.00 1.44 H new ATOM 0 HG22 VAL A 69 2.807 8.820 8.201 1.00 1.44 H new ATOM 0 HG23 VAL A 69 2.377 10.310 7.328 1.00 1.44 H new ATOM 1061 N GLU A 70 1.222 8.630 10.219 1.00 35.45 N ATOM 1062 CA GLU A 70 0.907 7.352 10.849 1.00 44.23 C ATOM 1063 C GLU A 70 0.097 6.466 9.907 1.00 41.44 C ATOM 1064 O GLU A 70 -0.976 6.852 9.445 1.00 61.11 O ATOM 1065 CB GLU A 70 0.132 7.576 12.149 1.00 64.21 C ATOM 1066 CG GLU A 70 -1.068 8.494 11.992 1.00 44.41 C ATOM 1067 CD GLU A 70 -2.307 7.959 12.683 1.00 5.13 C ATOM 1068 OE1 GLU A 70 -3.032 7.155 12.061 1.00 41.33 O ATOM 1069 OE2 GLU A 70 -2.551 8.344 13.846 1.00 61.42 O ATOM 0 H GLU A 70 0.764 8.782 9.320 1.00 35.45 H new ATOM 0 HA GLU A 70 1.846 6.847 11.077 1.00 44.23 H new ATOM 0 HB2 GLU A 70 -0.206 6.613 12.531 1.00 64.21 H new ATOM 0 HB3 GLU A 70 0.805 7.997 12.896 1.00 64.21 H new ATOM 0 HG2 GLU A 70 -0.825 9.476 12.399 1.00 44.41 H new ATOM 0 HG3 GLU A 70 -1.279 8.632 10.932 1.00 44.41 H new ATOM 1076 N ASN A 71 0.620 5.277 9.626 1.00 1.21 N ATOM 1077 CA ASN A 71 -0.053 4.336 8.738 1.00 13.33 C ATOM 1078 C ASN A 71 -0.465 5.016 7.436 1.00 11.42 C ATOM 1079 O ASN A 71 -1.617 4.925 7.014 1.00 41.22 O ATOM 1080 CB ASN A 71 -1.284 3.743 9.428 1.00 5.32 C ATOM 1081 CG ASN A 71 -0.915 2.764 10.526 1.00 60.01 C ATOM 1082 OD1 ASN A 71 0.186 2.212 10.537 1.00 14.31 O ATOM 1083 ND2 ASN A 71 -1.837 2.543 11.456 1.00 41.42 N ATOM 0 H ASN A 71 1.508 4.942 10.000 1.00 1.21 H new ATOM 0 HA ASN A 71 0.646 3.533 8.503 1.00 13.33 H new ATOM 0 HB2 ASN A 71 -1.884 4.549 9.850 1.00 5.32 H new ATOM 0 HB3 ASN A 71 -1.904 3.238 8.688 1.00 5.32 H new ATOM 0 HD21 ASN A 71 -1.646 1.894 12.219 1.00 41.42 H new ATOM 0 HD22 ASN A 71 -2.736 3.023 11.407 1.00 41.42 H new ATOM 1090 N ASN A 72 0.485 5.698 6.805 1.00 63.24 N ATOM 1091 CA ASN A 72 0.222 6.394 5.550 1.00 32.43 C ATOM 1092 C ASN A 72 -0.836 7.477 5.741 1.00 61.43 C ATOM 1093 O ASN A 72 -1.663 7.711 4.861 1.00 72.25 O ATOM 1094 CB ASN A 72 -0.235 5.401 4.479 1.00 52.51 C ATOM 1095 CG ASN A 72 0.533 4.095 4.536 1.00 74.13 C ATOM 1096 OD1 ASN A 72 1.841 4.168 4.322 1.00 33.23 O flip ATOM 1097 ND2 ASN A 72 -0.044 3.033 4.769 1.00 42.12 N flip ATOM 0 H ASN A 72 1.444 5.784 7.142 1.00 63.24 H new ATOM 0 HA ASN A 72 1.148 6.869 5.224 1.00 32.43 H new ATOM 0 HB2 ASN A 72 -1.299 5.199 4.605 1.00 52.51 H new ATOM 0 HB3 ASN A 72 -0.110 5.850 3.494 1.00 52.51 H new ATOM 0 HD21 ASN A 72 -1.052 3.024 4.927 1.00 42.12 H new ATOM 0 HD22 ASN A 72 0.485 2.162 4.804 1.00 42.12 H new ATOM 1104 N GLU A 73 -0.801 8.134 6.896 1.00 71.51 N ATOM 1105 CA GLU A 73 -1.757 9.191 7.201 1.00 10.52 C ATOM 1106 C GLU A 73 -1.048 10.420 7.764 1.00 63.11 C ATOM 1107 O GLU A 73 -0.755 10.489 8.958 1.00 51.33 O ATOM 1108 CB GLU A 73 -2.803 8.691 8.199 1.00 13.44 C ATOM 1109 CG GLU A 73 -4.159 9.361 8.047 1.00 3.23 C ATOM 1110 CD GLU A 73 -5.205 8.780 8.978 1.00 23.54 C ATOM 1111 OE1 GLU A 73 -4.917 7.752 9.627 1.00 1.21 O ATOM 1112 OE2 GLU A 73 -6.312 9.353 9.058 1.00 25.40 O ATOM 0 H GLU A 73 -0.122 7.953 7.635 1.00 71.51 H new ATOM 0 HA GLU A 73 -2.256 9.473 6.274 1.00 10.52 H new ATOM 0 HB2 GLU A 73 -2.923 7.615 8.077 1.00 13.44 H new ATOM 0 HB3 GLU A 73 -2.436 8.858 9.212 1.00 13.44 H new ATOM 0 HG2 GLU A 73 -4.057 10.428 8.243 1.00 3.23 H new ATOM 0 HG3 GLU A 73 -4.498 9.257 7.016 1.00 3.23 H new ATOM 1119 N VAL A 74 -0.773 11.388 6.895 1.00 75.53 N ATOM 1120 CA VAL A 74 -0.099 12.614 7.303 1.00 31.15 C ATOM 1121 C VAL A 74 -1.096 13.750 7.501 1.00 34.23 C ATOM 1122 O VAL A 74 -1.772 14.169 6.561 1.00 12.20 O ATOM 1123 CB VAL A 74 0.956 13.046 6.268 1.00 51.21 C ATOM 1124 CG1 VAL A 74 2.019 13.917 6.920 1.00 53.41 C ATOM 1125 CG2 VAL A 74 1.584 11.828 5.608 1.00 45.21 C ATOM 0 H VAL A 74 -1.007 11.346 5.903 1.00 75.53 H new ATOM 0 HA VAL A 74 0.398 12.402 8.250 1.00 31.15 H new ATOM 0 HB VAL A 74 0.462 13.635 5.496 1.00 51.21 H new ATOM 0 HG11 VAL A 74 2.756 14.212 6.173 1.00 53.41 H new ATOM 0 HG12 VAL A 74 1.552 14.807 7.341 1.00 53.41 H new ATOM 0 HG13 VAL A 74 2.512 13.356 7.714 1.00 53.41 H new ATOM 0 HG21 VAL A 74 2.327 12.152 4.879 1.00 45.21 H new ATOM 0 HG22 VAL A 74 2.065 11.210 6.367 1.00 45.21 H new ATOM 0 HG23 VAL A 74 0.811 11.248 5.104 1.00 45.21 H new ATOM 1135 N THR A 75 -1.184 14.246 8.732 1.00 70.32 N ATOM 1136 CA THR A 75 -2.099 15.333 9.054 1.00 12.02 C ATOM 1137 C THR A 75 -1.349 16.648 9.232 1.00 54.31 C ATOM 1138 O THR A 75 -0.599 16.821 10.193 1.00 61.32 O ATOM 1139 CB THR A 75 -2.898 15.033 10.337 1.00 50.33 C ATOM 1140 OG1 THR A 75 -2.547 13.740 10.841 1.00 11.15 O ATOM 1141 CG2 THR A 75 -4.394 15.090 10.068 1.00 73.52 C ATOM 0 H THR A 75 -0.632 13.911 9.522 1.00 70.32 H new ATOM 0 HA THR A 75 -2.791 15.423 8.216 1.00 12.02 H new ATOM 0 HB THR A 75 -2.650 15.791 11.080 1.00 50.33 H new ATOM 0 HG1 THR A 75 -3.058 13.557 11.657 1.00 11.15 H new ATOM 0 HG21 THR A 75 -4.938 14.875 10.988 1.00 73.52 H new ATOM 0 HG22 THR A 75 -4.662 16.085 9.712 1.00 73.52 H new ATOM 0 HG23 THR A 75 -4.656 14.351 9.311 1.00 73.52 H new ATOM 1149 N ILE A 76 -1.558 17.573 8.301 1.00 43.11 N ATOM 1150 CA ILE A 76 -0.902 18.874 8.357 1.00 72.23 C ATOM 1151 C ILE A 76 -1.857 19.949 8.865 1.00 4.01 C ATOM 1152 O ILE A 76 -2.622 20.531 8.094 1.00 25.44 O ATOM 1153 CB ILE A 76 -0.364 19.293 6.976 1.00 64.50 C ATOM 1154 CG1 ILE A 76 0.433 18.148 6.346 1.00 33.24 C ATOM 1155 CG2 ILE A 76 0.499 20.540 7.100 1.00 71.42 C ATOM 1156 CD1 ILE A 76 0.955 18.464 4.962 1.00 15.43 C ATOM 0 H ILE A 76 -2.176 17.446 7.499 1.00 43.11 H new ATOM 0 HA ILE A 76 -0.066 18.777 9.049 1.00 72.23 H new ATOM 0 HB ILE A 76 -1.209 19.523 6.327 1.00 64.50 H new ATOM 0 HG12 ILE A 76 1.273 17.901 6.995 1.00 33.24 H new ATOM 0 HG13 ILE A 76 -0.200 17.262 6.293 1.00 33.24 H new ATOM 0 HG21 ILE A 76 0.872 20.824 6.116 1.00 71.42 H new ATOM 0 HG22 ILE A 76 -0.096 21.355 7.511 1.00 71.42 H new ATOM 0 HG23 ILE A 76 1.341 20.336 7.762 1.00 71.42 H new ATOM 0 HD11 ILE A 76 1.510 17.608 4.578 1.00 15.43 H new ATOM 0 HD12 ILE A 76 0.118 18.682 4.298 1.00 15.43 H new ATOM 0 HD13 ILE A 76 1.614 19.331 5.011 1.00 15.43 H new ATOM 1168 N LEU A 77 -1.806 20.210 10.167 1.00 44.04 N ATOM 1169 CA LEU A 77 -2.664 21.218 10.779 1.00 35.31 C ATOM 1170 C LEU A 77 -2.070 22.613 10.615 1.00 23.41 C ATOM 1171 O LEU A 77 -1.504 23.172 11.554 1.00 0.24 O ATOM 1172 CB LEU A 77 -2.868 20.909 12.263 1.00 22.24 C ATOM 1173 CG LEU A 77 -3.780 21.867 13.030 1.00 50.44 C ATOM 1174 CD1 LEU A 77 -5.233 21.437 12.903 1.00 52.31 C ATOM 1175 CD2 LEU A 77 -3.369 21.940 14.493 1.00 61.30 C ATOM 0 H LEU A 77 -1.180 19.737 10.819 1.00 44.04 H new ATOM 0 HA LEU A 77 -3.629 21.193 10.273 1.00 35.31 H new ATOM 0 HB2 LEU A 77 -3.276 19.902 12.351 1.00 22.24 H new ATOM 0 HB3 LEU A 77 -1.892 20.901 12.749 1.00 22.24 H new ATOM 0 HG LEU A 77 -3.677 22.861 12.595 1.00 50.44 H new ATOM 0 HD11 LEU A 77 -5.867 22.130 13.455 1.00 52.31 H new ATOM 0 HD12 LEU A 77 -5.522 21.439 11.852 1.00 52.31 H new ATOM 0 HD13 LEU A 77 -5.352 20.433 13.311 1.00 52.31 H new ATOM 0 HD21 LEU A 77 -4.029 22.627 15.023 1.00 61.30 H new ATOM 0 HD22 LEU A 77 -3.441 20.949 14.941 1.00 61.30 H new ATOM 0 HD23 LEU A 77 -2.342 22.297 14.565 1.00 61.30 H new ATOM 1187 N VAL A 78 -2.204 23.170 9.416 1.00 45.22 N ATOM 1188 CA VAL A 78 -1.683 24.501 9.129 1.00 5.41 C ATOM 1189 C VAL A 78 -2.765 25.562 9.294 1.00 2.40 C ATOM 1190 O VAL A 78 -3.907 25.367 8.882 1.00 14.03 O ATOM 1191 CB VAL A 78 -1.111 24.585 7.701 1.00 25.25 C ATOM 1192 CG1 VAL A 78 -2.202 24.332 6.673 1.00 33.30 C ATOM 1193 CG2 VAL A 78 -0.452 25.936 7.470 1.00 3.31 C ATOM 0 H VAL A 78 -2.669 22.720 8.627 1.00 45.22 H new ATOM 0 HA VAL A 78 -0.882 24.688 9.845 1.00 5.41 H new ATOM 0 HB VAL A 78 -0.351 23.812 7.587 1.00 25.25 H new ATOM 0 HG11 VAL A 78 -1.779 24.395 5.670 1.00 33.30 H new ATOM 0 HG12 VAL A 78 -2.624 23.339 6.827 1.00 33.30 H new ATOM 0 HG13 VAL A 78 -2.987 25.080 6.784 1.00 33.30 H new ATOM 0 HG21 VAL A 78 -0.053 25.978 6.456 1.00 3.31 H new ATOM 0 HG22 VAL A 78 -1.189 26.728 7.603 1.00 3.31 H new ATOM 0 HG23 VAL A 78 0.360 26.072 8.185 1.00 3.31 H new ATOM 1203 N ASN A 79 -2.396 26.687 9.899 1.00 31.21 N ATOM 1204 CA ASN A 79 -3.336 27.780 10.119 1.00 40.11 C ATOM 1205 C ASN A 79 -3.331 28.747 8.939 1.00 51.11 C ATOM 1206 O ASN A 79 -3.246 29.961 9.118 1.00 14.30 O ATOM 1207 CB ASN A 79 -2.988 28.528 11.407 1.00 2.43 C ATOM 1208 CG ASN A 79 -3.260 27.700 12.648 1.00 13.53 C ATOM 1209 OD1 ASN A 79 -3.533 26.503 12.562 1.00 53.23 O ATOM 1210 ND2 ASN A 79 -3.187 28.337 13.812 1.00 74.24 N ATOM 0 H ASN A 79 -1.453 26.865 10.245 1.00 31.21 H new ATOM 0 HA ASN A 79 -4.335 27.354 10.213 1.00 40.11 H new ATOM 0 HB2 ASN A 79 -1.936 28.812 11.386 1.00 2.43 H new ATOM 0 HB3 ASN A 79 -3.566 29.451 11.455 1.00 2.43 H new ATOM 0 HD21 ASN A 79 -3.361 27.832 14.681 1.00 74.24 H new ATOM 0 HD22 ASN A 79 -2.957 29.331 13.836 1.00 74.24 H new ATOM 1217 N GLY A 80 -3.423 28.199 7.731 1.00 73.01 N ATOM 1218 CA GLY A 80 -3.428 29.027 6.539 1.00 33.20 C ATOM 1219 C GLY A 80 -2.338 28.640 5.560 1.00 71.34 C ATOM 1220 O GLY A 80 -1.198 29.088 5.680 1.00 35.02 O ATOM 0 H GLY A 80 -3.494 27.197 7.557 1.00 73.01 H new ATOM 0 HA2 GLY A 80 -4.398 28.946 6.048 1.00 33.20 H new ATOM 0 HA3 GLY A 80 -3.301 30.071 6.825 1.00 33.20 H new ATOM 1224 N ALA A 81 -2.688 27.803 4.588 1.00 44.32 N ATOM 1225 CA ALA A 81 -1.730 27.356 3.584 1.00 53.23 C ATOM 1226 C ALA A 81 -2.187 27.740 2.180 1.00 1.44 C ATOM 1227 O ALA A 81 -3.232 28.367 2.008 1.00 4.32 O ATOM 1228 CB ALA A 81 -1.527 25.851 3.681 1.00 13.42 C ATOM 0 H ALA A 81 -3.627 27.421 4.475 1.00 44.32 H new ATOM 0 HA ALA A 81 -0.780 27.853 3.778 1.00 53.23 H new ATOM 0 HB1 ALA A 81 -0.809 25.531 2.926 1.00 13.42 H new ATOM 0 HB2 ALA A 81 -1.148 25.598 4.671 1.00 13.42 H new ATOM 0 HB3 ALA A 81 -2.478 25.344 3.516 1.00 13.42 H new ATOM 1234 N GLU A 82 -1.396 27.361 1.181 1.00 35.21 N ATOM 1235 CA GLU A 82 -1.720 27.668 -0.207 1.00 73.01 C ATOM 1236 C GLU A 82 -0.952 26.757 -1.160 1.00 23.55 C ATOM 1237 O GLU A 82 0.245 26.527 -0.985 1.00 62.04 O ATOM 1238 CB GLU A 82 -1.402 29.132 -0.516 1.00 44.24 C ATOM 1239 CG GLU A 82 -2.545 29.876 -1.185 1.00 15.12 C ATOM 1240 CD GLU A 82 -2.215 31.331 -1.457 1.00 74.20 C ATOM 1241 OE1 GLU A 82 -1.143 31.596 -2.040 1.00 0.14 O ATOM 1242 OE2 GLU A 82 -3.028 32.203 -1.088 1.00 14.54 O ATOM 0 H GLU A 82 -0.527 26.841 1.307 1.00 35.21 H new ATOM 0 HA GLU A 82 -2.787 27.497 -0.350 1.00 73.01 H new ATOM 0 HB2 GLU A 82 -1.142 29.642 0.412 1.00 44.24 H new ATOM 0 HB3 GLU A 82 -0.524 29.176 -1.161 1.00 44.24 H new ATOM 0 HG2 GLU A 82 -2.794 29.382 -2.124 1.00 15.12 H new ATOM 0 HG3 GLU A 82 -3.430 29.821 -0.551 1.00 15.12 H new ATOM 1249 N ARG A 83 -1.649 26.240 -2.166 1.00 61.41 N ATOM 1250 CA ARG A 83 -1.034 25.352 -3.145 1.00 65.12 C ATOM 1251 C ARG A 83 -0.541 26.137 -4.357 1.00 42.31 C ATOM 1252 O ARG A 83 -1.232 27.023 -4.858 1.00 41.15 O ATOM 1253 CB ARG A 83 -2.030 24.279 -3.590 1.00 4.32 C ATOM 1254 CG ARG A 83 -1.491 22.863 -3.474 1.00 72.30 C ATOM 1255 CD ARG A 83 -2.274 21.896 -4.349 1.00 2.00 C ATOM 1256 NE ARG A 83 -1.515 20.682 -4.637 1.00 34.41 N ATOM 1257 CZ ARG A 83 -1.905 19.763 -5.514 1.00 24.34 C ATOM 1258 NH1 ARG A 83 -3.037 19.920 -6.185 1.00 32.32 N ATOM 1259 NH2 ARG A 83 -1.160 18.684 -5.721 1.00 0.12 N ATOM 0 H ARG A 83 -2.640 26.421 -2.325 1.00 61.41 H new ATOM 0 HA ARG A 83 -0.178 24.870 -2.673 1.00 65.12 H new ATOM 0 HB2 ARG A 83 -2.936 24.364 -2.990 1.00 4.32 H new ATOM 0 HB3 ARG A 83 -2.315 24.467 -4.625 1.00 4.32 H new ATOM 0 HG2 ARG A 83 -0.440 22.848 -3.763 1.00 72.30 H new ATOM 0 HG3 ARG A 83 -1.541 22.537 -2.435 1.00 72.30 H new ATOM 0 HD2 ARG A 83 -3.207 21.631 -3.852 1.00 2.00 H new ATOM 0 HD3 ARG A 83 -2.540 22.388 -5.285 1.00 2.00 H new ATOM 0 HE ARG A 83 -0.638 20.531 -4.138 1.00 34.41 H new ATOM 0 HH11 ARG A 83 -3.612 20.748 -6.029 1.00 32.32 H new ATOM 0 HH12 ARG A 83 -3.334 19.213 -6.857 1.00 32.32 H new ATOM 0 HH21 ARG A 83 -0.288 18.560 -5.207 1.00 0.12 H new ATOM 0 HH22 ARG A 83 -1.460 17.979 -6.394 1.00 0.12 H new ATOM 1273 N GLY A 84 0.660 25.806 -4.823 1.00 12.03 N ATOM 1274 CA GLY A 84 1.225 26.490 -5.971 1.00 52.01 C ATOM 1275 C GLY A 84 0.382 26.320 -7.220 1.00 22.24 C ATOM 1276 O GLY A 84 0.496 27.100 -8.165 1.00 4.31 O ATOM 0 H GLY A 84 1.251 25.076 -4.425 1.00 12.03 H new ATOM 0 HA2 GLY A 84 1.324 27.552 -5.745 1.00 52.01 H new ATOM 0 HA3 GLY A 84 2.229 26.109 -6.159 1.00 52.01 H new ATOM 1280 N ASP A 85 -0.465 25.297 -7.225 1.00 22.53 N ATOM 1281 CA ASP A 85 -1.330 25.026 -8.367 1.00 61.30 C ATOM 1282 C ASP A 85 -2.635 25.808 -8.258 1.00 42.42 C ATOM 1283 O ASP A 85 -3.274 26.115 -9.265 1.00 71.32 O ATOM 1284 CB ASP A 85 -1.626 23.528 -8.466 1.00 44.32 C ATOM 1285 CG ASP A 85 -0.883 22.866 -9.610 1.00 50.11 C ATOM 1286 OD1 ASP A 85 0.314 23.170 -9.795 1.00 64.52 O ATOM 1287 OD2 ASP A 85 -1.499 22.044 -10.320 1.00 21.35 O ATOM 0 H ASP A 85 -0.571 24.641 -6.451 1.00 22.53 H new ATOM 0 HA ASP A 85 -0.809 25.346 -9.269 1.00 61.30 H new ATOM 0 HB2 ASP A 85 -1.351 23.043 -7.529 1.00 44.32 H new ATOM 0 HB3 ASP A 85 -2.698 23.380 -8.599 1.00 44.32 H new ATOM 1292 N THR A 86 -3.026 26.129 -7.029 1.00 31.14 N ATOM 1293 CA THR A 86 -4.255 26.874 -6.788 1.00 34.55 C ATOM 1294 C THR A 86 -3.974 28.363 -6.628 1.00 3.11 C ATOM 1295 O THR A 86 -4.630 29.048 -5.843 1.00 34.21 O ATOM 1296 CB THR A 86 -4.984 26.363 -5.530 1.00 72.12 C ATOM 1297 OG1 THR A 86 -4.062 26.255 -4.440 1.00 34.23 O ATOM 1298 CG2 THR A 86 -5.630 25.010 -5.791 1.00 10.41 C ATOM 0 H THR A 86 -2.509 25.884 -6.185 1.00 31.14 H new ATOM 0 HA THR A 86 -4.893 26.719 -7.658 1.00 34.55 H new ATOM 0 HB THR A 86 -5.766 27.078 -5.274 1.00 72.12 H new ATOM 0 HG1 THR A 86 -4.533 25.931 -3.644 1.00 34.23 H new ATOM 0 HG21 THR A 86 -6.139 24.670 -4.889 1.00 10.41 H new ATOM 0 HG22 THR A 86 -6.352 25.102 -6.602 1.00 10.41 H new ATOM 0 HG23 THR A 86 -4.862 24.288 -6.069 1.00 10.41 H new ATOM 1306 N ILE A 87 -2.995 28.859 -7.377 1.00 24.11 N ATOM 1307 CA ILE A 87 -2.628 30.268 -7.319 1.00 50.40 C ATOM 1308 C ILE A 87 -2.963 30.978 -8.627 1.00 22.32 C ATOM 1309 O ILE A 87 -2.919 30.376 -9.700 1.00 74.10 O ATOM 1310 CB ILE A 87 -1.128 30.448 -7.020 1.00 40.20 C ATOM 1311 CG1 ILE A 87 -0.286 29.905 -8.176 1.00 74.54 C ATOM 1312 CG2 ILE A 87 -0.760 29.753 -5.718 1.00 35.14 C ATOM 1313 CD1 ILE A 87 0.185 30.975 -9.136 1.00 23.33 C ATOM 0 H ILE A 87 -2.442 28.306 -8.031 1.00 24.11 H new ATOM 0 HA ILE A 87 -3.207 30.711 -6.509 1.00 50.40 H new ATOM 0 HB ILE A 87 -0.920 31.513 -6.912 1.00 40.20 H new ATOM 0 HG12 ILE A 87 0.582 29.385 -7.770 1.00 74.54 H new ATOM 0 HG13 ILE A 87 -0.871 29.167 -8.725 1.00 74.54 H new ATOM 0 HG21 ILE A 87 0.303 29.889 -5.521 1.00 35.14 H new ATOM 0 HG22 ILE A 87 -1.339 30.182 -4.900 1.00 35.14 H new ATOM 0 HG23 ILE A 87 -0.980 28.689 -5.799 1.00 35.14 H new ATOM 0 HD11 ILE A 87 0.776 30.517 -9.930 1.00 23.33 H new ATOM 0 HD12 ILE A 87 -0.678 31.479 -9.571 1.00 23.33 H new ATOM 0 HD13 ILE A 87 0.797 31.701 -8.600 1.00 23.33 H new ATOM 1325 N ASP A 88 -3.295 32.260 -8.530 1.00 1.25 N ATOM 1326 CA ASP A 88 -3.634 33.053 -9.705 1.00 53.42 C ATOM 1327 C ASP A 88 -2.614 34.166 -9.923 1.00 0.41 C ATOM 1328 O ASP A 88 -1.874 34.550 -9.017 1.00 21.44 O ATOM 1329 CB ASP A 88 -5.035 33.650 -9.557 1.00 43.22 C ATOM 1330 CG ASP A 88 -6.066 32.922 -10.396 1.00 71.14 C ATOM 1331 OD1 ASP A 88 -6.014 31.675 -10.451 1.00 44.14 O ATOM 1332 OD2 ASP A 88 -6.926 33.598 -10.998 1.00 13.55 O ATOM 0 H ASP A 88 -3.337 32.773 -7.649 1.00 1.25 H new ATOM 0 HA ASP A 88 -3.618 32.395 -10.574 1.00 53.42 H new ATOM 0 HB2 ASP A 88 -5.333 33.615 -8.509 1.00 43.22 H new ATOM 0 HB3 ASP A 88 -5.012 34.701 -9.846 1.00 43.22 H new ATOM 1337 N PRO A 89 -2.571 34.698 -11.154 1.00 13.25 N ATOM 1338 CA PRO A 89 -1.645 35.774 -11.519 1.00 54.23 C ATOM 1339 C PRO A 89 -2.003 37.098 -10.853 1.00 53.32 C ATOM 1340 O PRO A 89 -1.132 37.801 -10.342 1.00 41.10 O ATOM 1341 CB PRO A 89 -1.806 35.879 -13.038 1.00 4.00 C ATOM 1342 CG PRO A 89 -3.174 35.358 -13.311 1.00 52.14 C ATOM 1343 CD PRO A 89 -3.424 34.290 -12.283 1.00 11.34 C ATOM 0 HA PRO A 89 -0.625 35.561 -11.198 1.00 54.23 H new ATOM 0 HB2 PRO A 89 -1.700 36.910 -13.377 1.00 4.00 H new ATOM 0 HB3 PRO A 89 -1.048 35.293 -13.558 1.00 4.00 H new ATOM 0 HG2 PRO A 89 -3.916 36.153 -13.236 1.00 52.14 H new ATOM 0 HG3 PRO A 89 -3.243 34.952 -14.320 1.00 52.14 H new ATOM 0 HD2 PRO A 89 -4.475 34.245 -11.997 1.00 11.34 H new ATOM 0 HD3 PRO A 89 -3.153 33.302 -12.655 1.00 11.34 H new ATOM 1351 N GLN A 90 -3.290 37.432 -10.863 1.00 21.41 N ATOM 1352 CA GLN A 90 -3.762 38.672 -10.259 1.00 43.23 C ATOM 1353 C GLN A 90 -3.821 38.550 -8.740 1.00 53.32 C ATOM 1354 O GLN A 90 -3.722 39.546 -8.024 1.00 45.14 O ATOM 1355 CB GLN A 90 -5.142 39.038 -10.808 1.00 2.51 C ATOM 1356 CG GLN A 90 -5.101 39.652 -12.198 1.00 64.12 C ATOM 1357 CD GLN A 90 -6.381 40.382 -12.552 1.00 73.33 C ATOM 1358 OE1 GLN A 90 -6.697 41.421 -11.973 1.00 53.54 O ATOM 1359 NE2 GLN A 90 -7.127 39.840 -13.508 1.00 61.31 N ATOM 0 H GLN A 90 -4.024 36.861 -11.283 1.00 21.41 H new ATOM 0 HA GLN A 90 -3.056 39.463 -10.514 1.00 43.23 H new ATOM 0 HB2 GLN A 90 -5.763 38.142 -10.834 1.00 2.51 H new ATOM 0 HB3 GLN A 90 -5.622 39.739 -10.124 1.00 2.51 H new ATOM 0 HG2 GLN A 90 -4.263 40.346 -12.260 1.00 64.12 H new ATOM 0 HG3 GLN A 90 -4.920 38.867 -12.932 1.00 64.12 H new ATOM 0 HE21 GLN A 90 -6.827 38.977 -13.962 1.00 61.31 H new ATOM 0 HE22 GLN A 90 -8.000 40.287 -13.788 1.00 61.31 H new ATOM 1368 N GLU A 91 -3.985 37.323 -8.256 1.00 0.12 N ATOM 1369 CA GLU A 91 -4.059 37.072 -6.821 1.00 51.53 C ATOM 1370 C GLU A 91 -2.796 37.561 -6.118 1.00 32.04 C ATOM 1371 O GLU A 91 -2.866 38.216 -5.078 1.00 50.23 O ATOM 1372 CB GLU A 91 -4.261 35.580 -6.552 1.00 34.04 C ATOM 1373 CG GLU A 91 -4.701 35.272 -5.130 1.00 3.40 C ATOM 1374 CD GLU A 91 -3.633 34.549 -4.333 1.00 23.20 C ATOM 1375 OE1 GLU A 91 -2.480 35.030 -4.313 1.00 14.35 O ATOM 1376 OE2 GLU A 91 -3.948 33.502 -3.730 1.00 74.24 O ATOM 0 H GLU A 91 -4.069 36.488 -8.836 1.00 0.12 H new ATOM 0 HA GLU A 91 -4.911 37.624 -6.424 1.00 51.53 H new ATOM 0 HB2 GLU A 91 -5.006 35.192 -7.246 1.00 34.04 H new ATOM 0 HB3 GLU A 91 -3.329 35.053 -6.757 1.00 34.04 H new ATOM 0 HG2 GLU A 91 -4.959 36.202 -4.624 1.00 3.40 H new ATOM 0 HG3 GLU A 91 -5.604 34.662 -5.157 1.00 3.40 H new ATOM 1383 N ALA A 92 -1.643 37.236 -6.692 1.00 44.32 N ATOM 1384 CA ALA A 92 -0.364 37.643 -6.122 1.00 32.40 C ATOM 1385 C ALA A 92 -0.337 39.142 -5.848 1.00 51.40 C ATOM 1386 O ALA A 92 0.071 39.578 -4.772 1.00 43.10 O ATOM 1387 CB ALA A 92 0.776 37.253 -7.051 1.00 52.13 C ATOM 0 H ALA A 92 -1.568 36.692 -7.551 1.00 44.32 H new ATOM 0 HA ALA A 92 -0.237 37.125 -5.172 1.00 32.40 H new ATOM 0 HB1 ALA A 92 1.725 37.563 -6.613 1.00 52.13 H new ATOM 0 HB2 ALA A 92 0.777 36.172 -7.192 1.00 52.13 H new ATOM 0 HB3 ALA A 92 0.644 37.744 -8.015 1.00 52.13 H new ATOM 1393 N GLN A 93 -0.774 39.926 -6.828 1.00 42.35 N ATOM 1394 CA GLN A 93 -0.798 41.378 -6.692 1.00 63.12 C ATOM 1395 C GLN A 93 -1.815 41.809 -5.641 1.00 54.34 C ATOM 1396 O GLN A 93 -1.601 42.783 -4.920 1.00 40.11 O ATOM 1397 CB GLN A 93 -1.125 42.032 -8.035 1.00 54.15 C ATOM 1398 CG GLN A 93 -0.639 43.468 -8.148 1.00 21.13 C ATOM 1399 CD GLN A 93 -0.106 43.797 -9.528 1.00 54.43 C ATOM 1400 OE1 GLN A 93 -0.687 43.405 -10.540 1.00 73.44 O ATOM 1401 NE2 GLN A 93 1.005 44.523 -9.577 1.00 32.11 N ATOM 0 H GLN A 93 -1.116 39.581 -7.725 1.00 42.35 H new ATOM 0 HA GLN A 93 0.191 41.704 -6.369 1.00 63.12 H new ATOM 0 HB2 GLN A 93 -0.678 41.442 -8.835 1.00 54.15 H new ATOM 0 HB3 GLN A 93 -2.204 42.010 -8.187 1.00 54.15 H new ATOM 0 HG2 GLN A 93 -1.459 44.145 -7.909 1.00 21.13 H new ATOM 0 HG3 GLN A 93 0.144 43.642 -7.410 1.00 21.13 H new ATOM 0 HE21 GLN A 93 1.454 44.827 -8.713 1.00 32.11 H new ATOM 0 HE22 GLN A 93 1.409 44.777 -10.479 1.00 32.11 H new ATOM 1410 N GLN A 94 -2.922 41.078 -5.562 1.00 14.24 N ATOM 1411 CA GLN A 94 -3.974 41.387 -4.599 1.00 65.13 C ATOM 1412 C GLN A 94 -3.464 41.236 -3.170 1.00 11.13 C ATOM 1413 O GLN A 94 -3.627 42.134 -2.343 1.00 3.12 O ATOM 1414 CB GLN A 94 -5.182 40.475 -4.822 1.00 5.24 C ATOM 1415 CG GLN A 94 -5.956 40.791 -6.091 1.00 33.40 C ATOM 1416 CD GLN A 94 -6.857 42.000 -5.939 1.00 54.23 C ATOM 1417 OE1 GLN A 94 -6.786 42.721 -4.944 1.00 4.32 O ATOM 1418 NE2 GLN A 94 -7.713 42.229 -6.929 1.00 3.41 N ATOM 0 H GLN A 94 -3.114 40.269 -6.152 1.00 14.24 H new ATOM 0 HA GLN A 94 -4.278 42.423 -4.749 1.00 65.13 H new ATOM 0 HB2 GLN A 94 -4.843 39.440 -4.861 1.00 5.24 H new ATOM 0 HB3 GLN A 94 -5.853 40.559 -3.967 1.00 5.24 H new ATOM 0 HG2 GLN A 94 -5.254 40.966 -6.906 1.00 33.40 H new ATOM 0 HG3 GLN A 94 -6.558 39.926 -6.369 1.00 33.40 H new ATOM 0 HE21 GLN A 94 -7.738 41.605 -7.736 1.00 3.41 H new ATOM 0 HE22 GLN A 94 -8.345 43.028 -6.882 1.00 3.41 H new ATOM 1427 N THR A 95 -2.847 40.094 -2.884 1.00 25.10 N ATOM 1428 CA THR A 95 -2.315 39.825 -1.554 1.00 64.52 C ATOM 1429 C THR A 95 -1.326 40.904 -1.128 1.00 52.13 C ATOM 1430 O THR A 95 -1.429 41.457 -0.033 1.00 13.53 O ATOM 1431 CB THR A 95 -1.616 38.453 -1.496 1.00 20.02 C ATOM 1432 OG1 THR A 95 -2.251 37.541 -2.399 1.00 21.01 O ATOM 1433 CG2 THR A 95 -1.654 37.886 -0.085 1.00 2.04 C ATOM 0 H THR A 95 -2.703 39.340 -3.556 1.00 25.10 H new ATOM 0 HA THR A 95 -3.163 39.823 -0.869 1.00 64.52 H new ATOM 0 HB THR A 95 -0.575 38.588 -1.789 1.00 20.02 H new ATOM 0 HG1 THR A 95 -1.800 36.672 -2.357 1.00 21.01 H new ATOM 0 HG21 THR A 95 -1.155 36.917 -0.069 1.00 2.04 H new ATOM 0 HG22 THR A 95 -1.144 38.568 0.595 1.00 2.04 H new ATOM 0 HG23 THR A 95 -2.690 37.765 0.231 1.00 2.04 H new ATOM 1441 N LEU A 96 -0.369 41.200 -2.000 1.00 42.23 N ATOM 1442 CA LEU A 96 0.639 42.216 -1.715 1.00 30.54 C ATOM 1443 C LEU A 96 -0.012 43.569 -1.447 1.00 60.23 C ATOM 1444 O LEU A 96 0.514 44.382 -0.688 1.00 63.32 O ATOM 1445 CB LEU A 96 1.621 42.331 -2.882 1.00 74.32 C ATOM 1446 CG LEU A 96 3.091 42.516 -2.507 1.00 23.31 C ATOM 1447 CD1 LEU A 96 3.633 41.263 -1.837 1.00 32.45 C ATOM 1448 CD2 LEU A 96 3.916 42.863 -3.738 1.00 1.35 C ATOM 0 H LEU A 96 -0.269 40.751 -2.910 1.00 42.23 H new ATOM 0 HA LEU A 96 1.183 41.912 -0.820 1.00 30.54 H new ATOM 0 HB2 LEU A 96 1.533 41.433 -3.494 1.00 74.32 H new ATOM 0 HB3 LEU A 96 1.317 43.172 -3.505 1.00 74.32 H new ATOM 0 HG LEU A 96 3.164 43.342 -1.800 1.00 23.31 H new ATOM 0 HD11 LEU A 96 4.681 41.414 -1.577 1.00 32.45 H new ATOM 0 HD12 LEU A 96 3.061 41.058 -0.932 1.00 32.45 H new ATOM 0 HD13 LEU A 96 3.546 40.418 -2.521 1.00 32.45 H new ATOM 0 HD21 LEU A 96 4.960 42.991 -3.452 1.00 1.35 H new ATOM 0 HD22 LEU A 96 3.836 42.058 -4.468 1.00 1.35 H new ATOM 0 HD23 LEU A 96 3.544 43.789 -4.176 1.00 1.35 H new ATOM 1460 N GLU A 97 -1.160 43.802 -2.075 1.00 35.31 N ATOM 1461 CA GLU A 97 -1.883 45.056 -1.903 1.00 15.31 C ATOM 1462 C GLU A 97 -2.436 45.176 -0.486 1.00 33.24 C ATOM 1463 O GLU A 97 -2.393 46.247 0.120 1.00 20.14 O ATOM 1464 CB GLU A 97 -3.025 45.156 -2.917 1.00 44.23 C ATOM 1465 CG GLU A 97 -3.424 46.585 -3.245 1.00 15.11 C ATOM 1466 CD GLU A 97 -4.927 46.762 -3.343 1.00 52.43 C ATOM 1467 OE1 GLU A 97 -5.633 46.396 -2.381 1.00 22.34 O ATOM 1468 OE2 GLU A 97 -5.397 47.268 -4.384 1.00 13.51 O ATOM 0 H GLU A 97 -1.609 43.139 -2.707 1.00 35.31 H new ATOM 0 HA GLU A 97 -1.183 45.874 -2.072 1.00 15.31 H new ATOM 0 HB2 GLU A 97 -2.729 44.650 -3.836 1.00 44.23 H new ATOM 0 HB3 GLU A 97 -3.894 44.626 -2.527 1.00 44.23 H new ATOM 0 HG2 GLU A 97 -3.032 47.253 -2.478 1.00 15.11 H new ATOM 0 HG3 GLU A 97 -2.965 46.879 -4.189 1.00 15.11 H new ATOM 1475 N ILE A 98 -2.956 44.069 0.036 1.00 43.54 N ATOM 1476 CA ILE A 98 -3.516 44.050 1.381 1.00 74.31 C ATOM 1477 C ILE A 98 -2.448 44.352 2.426 1.00 12.22 C ATOM 1478 O ILE A 98 -2.677 45.124 3.357 1.00 32.42 O ATOM 1479 CB ILE A 98 -4.162 42.689 1.702 1.00 60.22 C ATOM 1480 CG1 ILE A 98 -5.258 42.367 0.684 1.00 14.12 C ATOM 1481 CG2 ILE A 98 -4.727 42.690 3.114 1.00 1.55 C ATOM 1482 CD1 ILE A 98 -5.699 40.920 0.708 1.00 41.24 C ATOM 0 H ILE A 98 -3.001 43.175 -0.452 1.00 43.54 H new ATOM 0 HA ILE A 98 -4.282 44.824 1.415 1.00 74.31 H new ATOM 0 HB ILE A 98 -3.396 41.916 1.639 1.00 60.22 H new ATOM 0 HG12 ILE A 98 -6.121 43.005 0.877 1.00 14.12 H new ATOM 0 HG13 ILE A 98 -4.898 42.612 -0.315 1.00 14.12 H new ATOM 0 HG21 ILE A 98 -5.180 41.721 3.325 1.00 1.55 H new ATOM 0 HG22 ILE A 98 -3.924 42.879 3.827 1.00 1.55 H new ATOM 0 HG23 ILE A 98 -5.482 43.471 3.203 1.00 1.55 H new ATOM 0 HD11 ILE A 98 -6.477 40.764 -0.039 1.00 41.24 H new ATOM 0 HD12 ILE A 98 -4.848 40.277 0.485 1.00 41.24 H new ATOM 0 HD13 ILE A 98 -6.090 40.675 1.696 1.00 41.24 H new ATOM 1494 N ALA A 99 -1.280 43.740 2.264 1.00 3.23 N ATOM 1495 CA ALA A 99 -0.174 43.947 3.192 1.00 72.24 C ATOM 1496 C ALA A 99 0.311 45.392 3.154 1.00 12.13 C ATOM 1497 O ALA A 99 0.633 45.975 4.189 1.00 33.43 O ATOM 1498 CB ALA A 99 0.969 42.996 2.870 1.00 62.10 C ATOM 0 H ALA A 99 -1.075 43.097 1.499 1.00 3.23 H new ATOM 0 HA ALA A 99 -0.533 43.738 4.200 1.00 72.24 H new ATOM 0 HB1 ALA A 99 1.788 43.161 3.570 1.00 62.10 H new ATOM 0 HB2 ALA A 99 0.621 41.967 2.955 1.00 62.10 H new ATOM 0 HB3 ALA A 99 1.318 43.178 1.854 1.00 62.10 H new ATOM 1504 N GLU A 100 0.361 45.964 1.955 1.00 11.03 N ATOM 1505 CA GLU A 100 0.809 47.341 1.785 1.00 54.22 C ATOM 1506 C GLU A 100 -0.224 48.321 2.334 1.00 54.11 C ATOM 1507 O GLU A 100 0.125 49.329 2.948 1.00 63.40 O ATOM 1508 CB GLU A 100 1.072 47.636 0.307 1.00 71.04 C ATOM 1509 CG GLU A 100 1.805 48.946 0.068 1.00 33.42 C ATOM 1510 CD GLU A 100 2.273 49.099 -1.366 1.00 10.42 C ATOM 1511 OE1 GLU A 100 3.092 48.271 -1.815 1.00 75.54 O ATOM 1512 OE2 GLU A 100 1.820 50.049 -2.038 1.00 41.35 O ATOM 0 H GLU A 100 0.097 45.496 1.088 1.00 11.03 H new ATOM 0 HA GLU A 100 1.736 47.466 2.344 1.00 54.22 H new ATOM 0 HB2 GLU A 100 1.656 46.820 -0.119 1.00 71.04 H new ATOM 0 HB3 GLU A 100 0.121 47.659 -0.225 1.00 71.04 H new ATOM 0 HG2 GLU A 100 1.148 49.777 0.322 1.00 33.42 H new ATOM 0 HG3 GLU A 100 2.665 49.004 0.735 1.00 33.42 H new ATOM 1519 N ALA A 101 -1.498 48.018 2.107 1.00 33.52 N ATOM 1520 CA ALA A 101 -2.582 48.870 2.580 1.00 74.51 C ATOM 1521 C ALA A 101 -2.565 48.987 4.100 1.00 12.31 C ATOM 1522 O ALA A 101 -2.628 50.087 4.647 1.00 0.25 O ATOM 1523 CB ALA A 101 -3.923 48.329 2.106 1.00 53.35 C ATOM 0 H ALA A 101 -1.805 47.189 1.598 1.00 33.52 H new ATOM 0 HA ALA A 101 -2.436 49.867 2.163 1.00 74.51 H new ATOM 0 HB1 ALA A 101 -4.724 48.975 2.466 1.00 53.35 H new ATOM 0 HB2 ALA A 101 -3.940 48.303 1.016 1.00 53.35 H new ATOM 0 HB3 ALA A 101 -4.067 47.321 2.495 1.00 53.35 H new ATOM 1529 N ASN A 102 -2.480 47.846 4.776 1.00 15.35 N ATOM 1530 CA ASN A 102 -2.456 47.822 6.234 1.00 35.05 C ATOM 1531 C ASN A 102 -1.160 48.425 6.767 1.00 13.13 C ATOM 1532 O ASN A 102 -1.176 49.250 7.682 1.00 34.21 O ATOM 1533 CB ASN A 102 -2.612 46.388 6.744 1.00 30.31 C ATOM 1534 CG ASN A 102 -3.652 46.274 7.842 1.00 24.13 C ATOM 1535 OD1 ASN A 102 -3.517 46.881 8.905 1.00 54.33 O ATOM 1536 ND2 ASN A 102 -4.695 45.492 7.590 1.00 12.41 N ATOM 0 H ASN A 102 -2.427 46.926 4.338 1.00 15.35 H new ATOM 0 HA ASN A 102 -3.291 48.422 6.596 1.00 35.05 H new ATOM 0 HB2 ASN A 102 -2.891 45.739 5.914 1.00 30.31 H new ATOM 0 HB3 ASN A 102 -1.652 46.032 7.118 1.00 30.31 H new ATOM 0 HD21 ASN A 102 -5.426 45.375 8.292 1.00 12.41 H new ATOM 0 HD22 ASN A 102 -4.765 45.008 6.695 1.00 12.41 H new ATOM 1543 N LEU A 103 -0.039 48.009 6.189 1.00 72.01 N ATOM 1544 CA LEU A 103 1.267 48.508 6.604 1.00 1.25 C ATOM 1545 C LEU A 103 1.357 50.019 6.418 1.00 40.43 C ATOM 1546 O LEU A 103 2.115 50.697 7.112 1.00 31.45 O ATOM 1547 CB LEU A 103 2.376 47.818 5.808 1.00 32.44 C ATOM 1548 CG LEU A 103 3.805 48.073 6.288 1.00 21.41 C ATOM 1549 CD1 LEU A 103 4.066 47.347 7.599 1.00 72.32 C ATOM 1550 CD2 LEU A 103 4.808 47.641 5.228 1.00 23.15 C ATOM 0 H LEU A 103 -0.008 47.327 5.431 1.00 72.01 H new ATOM 0 HA LEU A 103 1.394 48.282 7.663 1.00 1.25 H new ATOM 0 HB2 LEU A 103 2.194 46.743 5.826 1.00 32.44 H new ATOM 0 HB3 LEU A 103 2.301 48.136 4.768 1.00 32.44 H new ATOM 0 HG LEU A 103 3.925 49.143 6.459 1.00 21.41 H new ATOM 0 HD11 LEU A 103 5.088 47.540 7.925 1.00 72.32 H new ATOM 0 HD12 LEU A 103 3.370 47.704 8.358 1.00 72.32 H new ATOM 0 HD13 LEU A 103 3.928 46.275 7.455 1.00 72.32 H new ATOM 0 HD21 LEU A 103 5.820 47.830 5.586 1.00 23.15 H new ATOM 0 HD22 LEU A 103 4.687 46.577 5.025 1.00 23.15 H new ATOM 0 HD23 LEU A 103 4.636 48.207 4.312 1.00 23.15 H new ATOM 1562 N ARG A 104 0.577 50.542 5.477 1.00 63.43 N ATOM 1563 CA ARG A 104 0.568 51.973 5.199 1.00 22.14 C ATOM 1564 C ARG A 104 0.297 52.771 6.471 1.00 1.32 C ATOM 1565 O ARG A 104 0.733 53.915 6.604 1.00 0.03 O ATOM 1566 CB ARG A 104 -0.488 52.303 4.143 1.00 64.43 C ATOM 1567 CG ARG A 104 -0.216 53.597 3.394 1.00 72.04 C ATOM 1568 CD ARG A 104 -0.988 54.761 3.995 1.00 73.02 C ATOM 1569 NE ARG A 104 -0.759 56.005 3.265 1.00 51.01 N ATOM 1570 CZ ARG A 104 0.386 56.678 3.301 1.00 73.24 C ATOM 1571 NH1 ARG A 104 1.400 56.228 4.026 1.00 2.43 N ATOM 1572 NH2 ARG A 104 0.518 57.802 2.609 1.00 55.52 N ATOM 0 H ARG A 104 -0.057 49.995 4.894 1.00 63.43 H new ATOM 0 HA ARG A 104 1.551 52.250 4.818 1.00 22.14 H new ATOM 0 HB2 ARG A 104 -0.542 51.483 3.427 1.00 64.43 H new ATOM 0 HB3 ARG A 104 -1.463 52.370 4.625 1.00 64.43 H new ATOM 0 HG2 ARG A 104 0.852 53.816 3.419 1.00 72.04 H new ATOM 0 HG3 ARG A 104 -0.493 53.478 2.347 1.00 72.04 H new ATOM 0 HD2 ARG A 104 -2.053 54.530 3.992 1.00 73.02 H new ATOM 0 HD3 ARG A 104 -0.693 54.892 5.036 1.00 73.02 H new ATOM 0 HE ARG A 104 -1.520 56.377 2.697 1.00 51.01 H new ATOM 0 HH11 ARG A 104 1.302 55.363 4.558 1.00 2.43 H new ATOM 0 HH12 ARG A 104 2.278 56.746 4.052 1.00 2.43 H new ATOM 0 HH21 ARG A 104 -0.260 58.150 2.049 1.00 55.52 H new ATOM 0 HH22 ARG A 104 1.397 58.318 2.637 1.00 55.52 H new ATOM 1586 N LYS A 105 -0.426 52.161 7.404 1.00 71.11 N ATOM 1587 CA LYS A 105 -0.756 52.813 8.666 1.00 63.13 C ATOM 1588 C LYS A 105 -0.128 52.071 9.842 1.00 43.45 C ATOM 1589 O LYS A 105 0.318 52.687 10.809 1.00 15.44 O ATOM 1590 CB LYS A 105 -2.274 52.884 8.846 1.00 62.53 C ATOM 1591 CG LYS A 105 -2.701 53.443 10.192 1.00 73.24 C ATOM 1592 CD LYS A 105 -3.170 52.343 11.129 1.00 31.32 C ATOM 1593 CE LYS A 105 -4.679 52.375 11.316 1.00 11.54 C ATOM 1594 NZ LYS A 105 -5.207 51.068 11.796 1.00 51.21 N ATOM 0 H LYS A 105 -0.795 51.215 7.310 1.00 71.11 H new ATOM 0 HA LYS A 105 -0.352 53.825 8.640 1.00 63.13 H new ATOM 0 HB2 LYS A 105 -2.697 53.503 8.054 1.00 62.53 H new ATOM 0 HB3 LYS A 105 -2.693 51.885 8.728 1.00 62.53 H new ATOM 0 HG2 LYS A 105 -1.867 53.978 10.646 1.00 73.24 H new ATOM 0 HG3 LYS A 105 -3.503 54.167 10.048 1.00 73.24 H new ATOM 0 HD2 LYS A 105 -2.872 51.373 10.731 1.00 31.32 H new ATOM 0 HD3 LYS A 105 -2.680 52.454 12.096 1.00 31.32 H new ATOM 0 HE2 LYS A 105 -4.940 53.156 12.030 1.00 11.54 H new ATOM 0 HE3 LYS A 105 -5.156 52.634 10.371 1.00 11.54 H new ATOM 0 HZ1 LYS A 105 -6.239 51.131 11.911 1.00 51.21 H new ATOM 0 HZ2 LYS A 105 -4.981 50.326 11.103 1.00 51.21 H new ATOM 0 HZ3 LYS A 105 -4.771 50.832 12.710 1.00 51.21 H new ATOM 1608 N ALA A 106 -0.094 50.746 9.750 1.00 53.03 N ATOM 1609 CA ALA A 106 0.483 49.922 10.804 1.00 35.53 C ATOM 1610 C ALA A 106 1.984 49.744 10.603 1.00 34.21 C ATOM 1611 O ALA A 106 2.573 50.341 9.703 1.00 72.11 O ATOM 1612 CB ALA A 106 -0.209 48.567 10.853 1.00 13.33 C ATOM 0 H ALA A 106 -0.459 50.220 8.956 1.00 53.03 H new ATOM 0 HA ALA A 106 0.328 50.432 11.755 1.00 35.53 H new ATOM 0 HB1 ALA A 106 0.232 47.962 11.645 1.00 13.33 H new ATOM 0 HB2 ALA A 106 -1.271 48.708 11.053 1.00 13.33 H new ATOM 0 HB3 ALA A 106 -0.084 48.060 9.896 1.00 13.33 H new ATOM 1618 N GLU A 107 2.596 48.920 11.448 1.00 71.12 N ATOM 1619 CA GLU A 107 4.029 48.666 11.362 1.00 22.13 C ATOM 1620 C GLU A 107 4.434 47.516 12.281 1.00 52.43 C ATOM 1621 O GLU A 107 4.886 47.734 13.404 1.00 41.42 O ATOM 1622 CB GLU A 107 4.816 49.926 11.728 1.00 53.41 C ATOM 1623 CG GLU A 107 6.307 49.814 11.457 1.00 75.24 C ATOM 1624 CD GLU A 107 6.644 49.956 9.985 1.00 1.32 C ATOM 1625 OE1 GLU A 107 5.730 50.266 9.193 1.00 13.04 O ATOM 1626 OE2 GLU A 107 7.824 49.758 9.626 1.00 12.20 O ATOM 0 H GLU A 107 2.122 48.418 12.199 1.00 71.12 H new ATOM 0 HA GLU A 107 4.261 48.387 10.334 1.00 22.13 H new ATOM 0 HB2 GLU A 107 4.416 50.770 11.166 1.00 53.41 H new ATOM 0 HB3 GLU A 107 4.663 50.145 12.785 1.00 53.41 H new ATOM 0 HG2 GLU A 107 6.834 50.582 12.022 1.00 75.24 H new ATOM 0 HG3 GLU A 107 6.667 48.850 11.817 1.00 75.24 H new ATOM 1633 N GLY A 108 4.267 46.290 11.794 1.00 54.42 N ATOM 1634 CA GLY A 108 4.618 45.124 12.583 1.00 1.41 C ATOM 1635 C GLY A 108 4.637 43.851 11.760 1.00 12.53 C ATOM 1636 O GLY A 108 3.800 43.662 10.878 1.00 12.33 O ATOM 0 H GLY A 108 3.895 46.084 10.867 1.00 54.42 H new ATOM 0 HA2 GLY A 108 5.599 45.276 13.034 1.00 1.41 H new ATOM 0 HA3 GLY A 108 3.905 45.014 13.400 1.00 1.41 H new ATOM 1640 N ALA A 109 5.595 42.977 12.048 1.00 62.10 N ATOM 1641 CA ALA A 109 5.719 41.715 11.328 1.00 3.43 C ATOM 1642 C ALA A 109 4.513 40.818 11.582 1.00 61.30 C ATOM 1643 O ALA A 109 4.032 40.137 10.676 1.00 44.24 O ATOM 1644 CB ALA A 109 7.003 41.003 11.729 1.00 40.43 C ATOM 0 H ALA A 109 6.297 43.119 12.775 1.00 62.10 H new ATOM 0 HA ALA A 109 5.757 41.935 10.261 1.00 3.43 H new ATOM 0 HB1 ALA A 109 7.083 40.062 11.184 1.00 40.43 H new ATOM 0 HB2 ALA A 109 7.859 41.634 11.490 1.00 40.43 H new ATOM 0 HB3 ALA A 109 6.988 40.802 12.800 1.00 40.43 H new ATOM 1650 N ARG A 110 4.029 40.821 12.820 1.00 60.53 N ATOM 1651 CA ARG A 110 2.880 40.005 13.193 1.00 72.55 C ATOM 1652 C ARG A 110 1.646 40.404 12.389 1.00 13.21 C ATOM 1653 O ARG A 110 0.810 39.563 12.059 1.00 12.52 O ATOM 1654 CB ARG A 110 2.594 40.142 14.689 1.00 32.10 C ATOM 1655 CG ARG A 110 2.771 38.847 15.464 1.00 34.43 C ATOM 1656 CD ARG A 110 1.473 38.056 15.532 1.00 41.32 C ATOM 1657 NE ARG A 110 1.567 36.927 16.453 1.00 3.34 N ATOM 1658 CZ ARG A 110 2.273 35.830 16.202 1.00 1.41 C ATOM 1659 NH1 ARG A 110 2.943 35.716 15.064 1.00 62.51 N ATOM 1660 NH2 ARG A 110 2.310 34.846 17.091 1.00 71.43 N ATOM 0 H ARG A 110 4.415 41.379 13.581 1.00 60.53 H new ATOM 0 HA ARG A 110 3.117 38.965 12.970 1.00 72.55 H new ATOM 0 HB2 ARG A 110 3.255 40.900 15.109 1.00 32.10 H new ATOM 0 HB3 ARG A 110 1.573 40.500 14.824 1.00 32.10 H new ATOM 0 HG2 ARG A 110 3.543 38.241 14.990 1.00 34.43 H new ATOM 0 HG3 ARG A 110 3.116 39.070 16.474 1.00 34.43 H new ATOM 0 HD2 ARG A 110 0.664 38.714 15.847 1.00 41.32 H new ATOM 0 HD3 ARG A 110 1.218 37.692 14.537 1.00 41.32 H new ATOM 0 HE ARG A 110 1.063 36.984 17.338 1.00 3.34 H new ATOM 0 HH11 ARG A 110 2.917 36.471 14.379 1.00 62.51 H new ATOM 0 HH12 ARG A 110 3.484 34.873 14.873 1.00 62.51 H new ATOM 0 HH21 ARG A 110 1.796 34.931 17.968 1.00 71.43 H new ATOM 0 HH22 ARG A 110 2.852 34.004 16.898 1.00 71.43 H new ATOM 1674 N GLN A 111 1.539 41.692 12.079 1.00 45.31 N ATOM 1675 CA GLN A 111 0.407 42.203 11.316 1.00 71.25 C ATOM 1676 C GLN A 111 0.346 41.557 9.935 1.00 14.41 C ATOM 1677 O GLN A 111 -0.714 41.115 9.491 1.00 31.11 O ATOM 1678 CB GLN A 111 0.502 43.723 11.177 1.00 40.20 C ATOM 1679 CG GLN A 111 -0.690 44.463 11.762 1.00 0.22 C ATOM 1680 CD GLN A 111 -0.395 45.059 13.125 1.00 75.03 C ATOM 1681 OE1 GLN A 111 0.331 46.170 13.141 1.00 14.40 O flip ATOM 1682 NE2 GLN A 111 -0.816 44.526 14.152 1.00 43.24 N flip ATOM 0 H GLN A 111 2.223 42.401 12.345 1.00 45.31 H new ATOM 0 HA GLN A 111 -0.506 41.952 11.856 1.00 71.25 H new ATOM 0 HB2 GLN A 111 1.411 44.068 11.670 1.00 40.20 H new ATOM 0 HB3 GLN A 111 0.595 43.978 10.121 1.00 40.20 H new ATOM 0 HG2 GLN A 111 -0.990 45.258 11.079 1.00 0.22 H new ATOM 0 HG3 GLN A 111 -1.534 43.778 11.844 1.00 0.22 H new ATOM 0 HE21 GLN A 111 -1.371 43.672 14.093 1.00 43.24 H new ATOM 0 HE22 GLN A 111 -0.610 44.938 15.062 1.00 43.24 H new ATOM 1691 N LYS A 112 1.489 41.507 9.260 1.00 52.13 N ATOM 1692 CA LYS A 112 1.567 40.915 7.929 1.00 13.15 C ATOM 1693 C LYS A 112 1.199 39.435 7.970 1.00 10.40 C ATOM 1694 O LYS A 112 0.497 38.936 7.090 1.00 41.52 O ATOM 1695 CB LYS A 112 2.975 41.086 7.354 1.00 14.14 C ATOM 1696 CG LYS A 112 2.997 41.746 5.987 1.00 51.53 C ATOM 1697 CD LYS A 112 3.086 43.259 6.099 1.00 13.23 C ATOM 1698 CE LYS A 112 3.799 43.866 4.901 1.00 50.30 C ATOM 1699 NZ LYS A 112 5.280 43.774 5.031 1.00 35.52 N ATOM 0 H LYS A 112 2.375 41.869 9.613 1.00 52.13 H new ATOM 0 HA LYS A 112 0.854 41.431 7.286 1.00 13.15 H new ATOM 0 HB2 LYS A 112 3.571 41.682 8.045 1.00 14.14 H new ATOM 0 HB3 LYS A 112 3.451 40.108 7.284 1.00 14.14 H new ATOM 0 HG2 LYS A 112 3.846 41.372 5.415 1.00 51.53 H new ATOM 0 HG3 LYS A 112 2.097 41.473 5.436 1.00 51.53 H new ATOM 0 HD2 LYS A 112 2.083 43.679 6.178 1.00 13.23 H new ATOM 0 HD3 LYS A 112 3.616 43.527 7.013 1.00 13.23 H new ATOM 0 HE2 LYS A 112 3.482 43.354 3.992 1.00 50.30 H new ATOM 0 HE3 LYS A 112 3.508 44.911 4.797 1.00 50.30 H new ATOM 0 HZ1 LYS A 112 5.729 44.199 4.195 1.00 35.52 H new ATOM 0 HZ2 LYS A 112 5.586 44.284 5.884 1.00 35.52 H new ATOM 0 HZ3 LYS A 112 5.561 42.775 5.105 1.00 35.52 H new ATOM 1713 N ILE A 113 1.676 38.740 8.997 1.00 71.22 N ATOM 1714 CA ILE A 113 1.394 37.318 9.152 1.00 4.24 C ATOM 1715 C ILE A 113 -0.084 37.079 9.441 1.00 63.34 C ATOM 1716 O ILE A 113 -0.713 36.217 8.828 1.00 33.35 O ATOM 1717 CB ILE A 113 2.234 36.699 10.285 1.00 32.25 C ATOM 1718 CG1 ILE A 113 3.723 36.954 10.045 1.00 40.33 C ATOM 1719 CG2 ILE A 113 1.958 35.207 10.394 1.00 34.34 C ATOM 1720 CD1 ILE A 113 4.597 36.592 11.225 1.00 32.30 C ATOM 0 H ILE A 113 2.259 39.138 9.733 1.00 71.22 H new ATOM 0 HA ILE A 113 1.659 36.838 8.210 1.00 4.24 H new ATOM 0 HB ILE A 113 1.951 37.171 11.226 1.00 32.25 H new ATOM 0 HG12 ILE A 113 4.046 36.381 9.175 1.00 40.33 H new ATOM 0 HG13 ILE A 113 3.869 38.007 9.805 1.00 40.33 H new ATOM 0 HG21 ILE A 113 2.559 34.784 11.199 1.00 34.34 H new ATOM 0 HG22 ILE A 113 0.901 35.047 10.607 1.00 34.34 H new ATOM 0 HG23 ILE A 113 2.216 34.720 9.454 1.00 34.34 H new ATOM 0 HD11 ILE A 113 5.639 36.799 10.983 1.00 32.30 H new ATOM 0 HD12 ILE A 113 4.301 37.183 12.092 1.00 32.30 H new ATOM 0 HD13 ILE A 113 4.481 35.532 11.452 1.00 32.30 H new ATOM 1732 N GLU A 114 -0.631 37.849 10.376 1.00 52.04 N ATOM 1733 CA GLU A 114 -2.036 37.721 10.744 1.00 72.42 C ATOM 1734 C GLU A 114 -2.932 37.818 9.512 1.00 34.25 C ATOM 1735 O GLU A 114 -3.806 36.978 9.300 1.00 61.44 O ATOM 1736 CB GLU A 114 -2.422 38.802 11.756 1.00 71.35 C ATOM 1737 CG GLU A 114 -3.206 38.271 12.944 1.00 53.11 C ATOM 1738 CD GLU A 114 -2.388 38.250 14.220 1.00 21.23 C ATOM 1739 OE1 GLU A 114 -2.053 39.341 14.728 1.00 63.25 O ATOM 1740 OE2 GLU A 114 -2.083 37.143 14.712 1.00 45.33 O ATOM 0 H GLU A 114 -0.123 38.567 10.892 1.00 52.04 H new ATOM 0 HA GLU A 114 -2.178 36.741 11.199 1.00 72.42 H new ATOM 0 HB2 GLU A 114 -1.517 39.289 12.117 1.00 71.35 H new ATOM 0 HB3 GLU A 114 -3.015 39.565 11.252 1.00 71.35 H new ATOM 0 HG2 GLU A 114 -4.092 38.888 13.095 1.00 53.11 H new ATOM 0 HG3 GLU A 114 -3.554 37.262 12.723 1.00 53.11 H new ATOM 1747 N ALA A 115 -2.709 38.850 8.705 1.00 30.33 N ATOM 1748 CA ALA A 115 -3.494 39.057 7.495 1.00 73.21 C ATOM 1749 C ALA A 115 -3.351 37.877 6.539 1.00 42.51 C ATOM 1750 O ALA A 115 -4.319 37.458 5.906 1.00 2.12 O ATOM 1751 CB ALA A 115 -3.076 40.349 6.809 1.00 62.21 C ATOM 0 H ALA A 115 -1.991 39.556 8.868 1.00 30.33 H new ATOM 0 HA ALA A 115 -4.543 39.134 7.781 1.00 73.21 H new ATOM 0 HB1 ALA A 115 -3.671 40.491 5.907 1.00 62.21 H new ATOM 0 HB2 ALA A 115 -3.237 41.189 7.485 1.00 62.21 H new ATOM 0 HB3 ALA A 115 -2.020 40.295 6.543 1.00 62.21 H new ATOM 1757 N ASN A 116 -2.136 37.347 6.439 1.00 51.33 N ATOM 1758 CA ASN A 116 -1.866 36.217 5.558 1.00 30.52 C ATOM 1759 C ASN A 116 -2.675 34.994 5.980 1.00 61.53 C ATOM 1760 O ASN A 116 -3.386 34.396 5.170 1.00 1.52 O ATOM 1761 CB ASN A 116 -0.373 35.882 5.567 1.00 50.13 C ATOM 1762 CG ASN A 116 0.182 35.679 4.170 1.00 32.20 C ATOM 1763 OD1 ASN A 116 0.028 34.610 3.578 1.00 12.24 O ATOM 1764 ND2 ASN A 116 0.832 36.706 3.636 1.00 11.54 N ATOM 0 H ASN A 116 -1.324 37.682 6.957 1.00 51.33 H new ATOM 0 HA ASN A 116 -2.163 36.497 4.547 1.00 30.52 H new ATOM 0 HB2 ASN A 116 0.174 36.686 6.059 1.00 50.13 H new ATOM 0 HB3 ASN A 116 -0.210 34.979 6.155 1.00 50.13 H new ATOM 0 HD21 ASN A 116 1.228 36.628 2.699 1.00 11.54 H new ATOM 0 HD22 ASN A 116 0.936 37.573 4.163 1.00 11.54 H new ATOM 1771 N LEU A 117 -2.562 34.626 7.251 1.00 12.24 N ATOM 1772 CA LEU A 117 -3.283 33.475 7.782 1.00 75.51 C ATOM 1773 C LEU A 117 -4.777 33.588 7.496 1.00 53.45 C ATOM 1774 O LEU A 117 -5.452 32.587 7.256 1.00 45.21 O ATOM 1775 CB LEU A 117 -3.049 33.351 9.289 1.00 53.15 C ATOM 1776 CG LEU A 117 -1.590 33.374 9.745 1.00 12.32 C ATOM 1777 CD1 LEU A 117 -1.464 34.064 11.095 1.00 52.13 C ATOM 1778 CD2 LEU A 117 -1.030 31.961 9.812 1.00 3.20 C ATOM 0 H LEU A 117 -1.977 35.108 7.934 1.00 12.24 H new ATOM 0 HA LEU A 117 -2.904 32.581 7.287 1.00 75.51 H new ATOM 0 HB2 LEU A 117 -3.577 34.164 9.787 1.00 53.15 H new ATOM 0 HB3 LEU A 117 -3.501 32.420 9.631 1.00 53.15 H new ATOM 0 HG LEU A 117 -1.010 33.939 9.015 1.00 12.32 H new ATOM 0 HD11 LEU A 117 -0.419 34.071 11.404 1.00 52.13 H new ATOM 0 HD12 LEU A 117 -1.826 35.089 11.015 1.00 52.13 H new ATOM 0 HD13 LEU A 117 -2.057 33.527 11.835 1.00 52.13 H new ATOM 0 HD21 LEU A 117 0.009 31.997 10.138 1.00 3.20 H new ATOM 0 HD22 LEU A 117 -1.613 31.372 10.520 1.00 3.20 H new ATOM 0 HD23 LEU A 117 -1.085 31.501 8.826 1.00 3.20 H new ATOM 1790 N ALA A 118 -5.287 34.815 7.520 1.00 14.42 N ATOM 1791 CA ALA A 118 -6.700 35.061 7.259 1.00 33.41 C ATOM 1792 C ALA A 118 -7.048 34.771 5.803 1.00 61.21 C ATOM 1793 O ALA A 118 -7.996 34.040 5.514 1.00 71.32 O ATOM 1794 CB ALA A 118 -7.061 36.495 7.614 1.00 14.34 C ATOM 0 H ALA A 118 -4.742 35.655 7.718 1.00 14.42 H new ATOM 0 HA ALA A 118 -7.282 34.386 7.886 1.00 33.41 H new ATOM 0 HB1 ALA A 118 -8.119 36.664 7.414 1.00 14.34 H new ATOM 0 HB2 ALA A 118 -6.859 36.670 8.671 1.00 14.34 H new ATOM 0 HB3 ALA A 118 -6.464 37.180 7.012 1.00 14.34 H new ATOM 1800 N LEU A 119 -6.276 35.348 4.889 1.00 2.51 N ATOM 1801 CA LEU A 119 -6.503 35.153 3.461 1.00 25.54 C ATOM 1802 C LEU A 119 -6.430 33.673 3.096 1.00 5.34 C ATOM 1803 O LEU A 119 -7.355 33.125 2.497 1.00 1.42 O ATOM 1804 CB LEU A 119 -5.474 35.941 2.649 1.00 53.43 C ATOM 1805 CG LEU A 119 -5.958 36.489 1.305 1.00 23.04 C ATOM 1806 CD1 LEU A 119 -5.099 37.666 0.868 1.00 30.34 C ATOM 1807 CD2 LEU A 119 -5.945 35.395 0.248 1.00 64.03 C ATOM 0 H LEU A 119 -5.487 35.955 5.111 1.00 2.51 H new ATOM 0 HA LEU A 119 -7.502 35.519 3.223 1.00 25.54 H new ATOM 0 HB2 LEU A 119 -5.125 36.777 3.255 1.00 53.43 H new ATOM 0 HB3 LEU A 119 -4.613 35.297 2.468 1.00 53.43 H new ATOM 0 HG LEU A 119 -6.983 36.839 1.424 1.00 23.04 H new ATOM 0 HD11 LEU A 119 -5.458 38.043 -0.090 1.00 30.34 H new ATOM 0 HD12 LEU A 119 -5.159 38.458 1.615 1.00 30.34 H new ATOM 0 HD13 LEU A 119 -4.063 37.342 0.765 1.00 30.34 H new ATOM 0 HD21 LEU A 119 -6.292 35.802 -0.702 1.00 64.03 H new ATOM 0 HD22 LEU A 119 -4.930 35.015 0.130 1.00 64.03 H new ATOM 0 HD23 LEU A 119 -6.603 34.583 0.557 1.00 64.03 H new ATOM 1819 N ARG A 120 -5.325 33.032 3.464 1.00 43.45 N ATOM 1820 CA ARG A 120 -5.132 31.616 3.176 1.00 44.34 C ATOM 1821 C ARG A 120 -6.306 30.791 3.694 1.00 42.02 C ATOM 1822 O ARG A 120 -6.742 29.839 3.046 1.00 0.23 O ATOM 1823 CB ARG A 120 -3.828 31.119 3.804 1.00 14.41 C ATOM 1824 CG ARG A 120 -2.621 31.975 3.458 1.00 25.15 C ATOM 1825 CD ARG A 120 -1.449 31.123 2.995 1.00 2.25 C ATOM 1826 NE ARG A 120 -0.579 31.845 2.071 1.00 52.24 N ATOM 1827 CZ ARG A 120 0.631 31.424 1.719 1.00 12.44 C ATOM 1828 NH1 ARG A 120 1.112 30.292 2.213 1.00 34.31 N ATOM 1829 NH2 ARG A 120 1.362 32.137 0.872 1.00 24.12 N ATOM 0 H ARG A 120 -4.550 33.471 3.962 1.00 43.45 H new ATOM 0 HA ARG A 120 -5.075 31.495 2.094 1.00 44.34 H new ATOM 0 HB2 ARG A 120 -3.944 31.090 4.887 1.00 14.41 H new ATOM 0 HB3 ARG A 120 -3.643 30.096 3.476 1.00 14.41 H new ATOM 0 HG2 ARG A 120 -2.889 32.684 2.675 1.00 25.15 H new ATOM 0 HG3 ARG A 120 -2.326 32.559 4.330 1.00 25.15 H new ATOM 0 HD2 ARG A 120 -0.871 30.801 3.861 1.00 2.25 H new ATOM 0 HD3 ARG A 120 -1.825 30.222 2.510 1.00 2.25 H new ATOM 0 HE ARG A 120 -0.919 32.721 1.674 1.00 52.24 H new ATOM 0 HH11 ARG A 120 0.553 29.742 2.865 1.00 34.31 H new ATOM 0 HH12 ARG A 120 2.041 29.971 1.941 1.00 34.31 H new ATOM 0 HH21 ARG A 120 0.995 33.009 0.491 1.00 24.12 H new ATOM 0 HH22 ARG A 120 2.291 31.813 0.602 1.00 24.12 H new ATOM 1843 N ARG A 121 -6.812 31.162 4.865 1.00 11.41 N ATOM 1844 CA ARG A 121 -7.934 30.456 5.471 1.00 72.30 C ATOM 1845 C ARG A 121 -9.210 30.664 4.660 1.00 43.11 C ATOM 1846 O ARG A 121 -9.967 29.724 4.424 1.00 75.42 O ATOM 1847 CB ARG A 121 -8.148 30.932 6.909 1.00 41.11 C ATOM 1848 CG ARG A 121 -8.997 29.987 7.744 1.00 54.55 C ATOM 1849 CD ARG A 121 -9.178 30.506 9.161 1.00 1.35 C ATOM 1850 NE ARG A 121 -9.625 31.897 9.183 1.00 65.41 N ATOM 1851 CZ ARG A 121 -10.848 32.281 8.835 1.00 5.11 C ATOM 1852 NH1 ARG A 121 -11.741 31.384 8.441 1.00 11.25 N ATOM 1853 NH2 ARG A 121 -11.179 33.565 8.881 1.00 1.10 N ATOM 0 H ARG A 121 -6.463 31.948 5.413 1.00 11.41 H new ATOM 0 HA ARG A 121 -7.698 29.392 5.479 1.00 72.30 H new ATOM 0 HB2 ARG A 121 -7.178 31.056 7.390 1.00 41.11 H new ATOM 0 HB3 ARG A 121 -8.622 31.913 6.891 1.00 41.11 H new ATOM 0 HG2 ARG A 121 -9.972 29.861 7.274 1.00 54.55 H new ATOM 0 HG3 ARG A 121 -8.528 29.004 7.773 1.00 54.55 H new ATOM 0 HD2 ARG A 121 -9.904 29.884 9.685 1.00 1.35 H new ATOM 0 HD3 ARG A 121 -8.235 30.420 9.702 1.00 1.35 H new ATOM 0 HE ARG A 121 -8.962 32.612 9.482 1.00 65.41 H new ATOM 0 HH11 ARG A 121 -11.490 30.396 8.405 1.00 11.25 H new ATOM 0 HH12 ARG A 121 -12.679 31.682 8.174 1.00 11.25 H new ATOM 0 HH21 ARG A 121 -10.494 34.258 9.184 1.00 1.10 H new ATOM 0 HH22 ARG A 121 -12.118 33.859 8.614 1.00 1.10 H new ATOM 1867 N ALA A 122 -9.440 31.903 4.237 1.00 70.33 N ATOM 1868 CA ALA A 122 -10.622 32.234 3.451 1.00 13.23 C ATOM 1869 C ALA A 122 -10.608 31.514 2.107 1.00 34.44 C ATOM 1870 O ALA A 122 -11.603 30.910 1.706 1.00 72.40 O ATOM 1871 CB ALA A 122 -10.714 33.739 3.245 1.00 62.24 C ATOM 0 H ALA A 122 -8.824 32.693 4.426 1.00 70.33 H new ATOM 0 HA ALA A 122 -11.500 31.899 4.003 1.00 13.23 H new ATOM 0 HB1 ALA A 122 -11.601 33.972 2.656 1.00 62.24 H new ATOM 0 HB2 ALA A 122 -10.780 34.235 4.213 1.00 62.24 H new ATOM 0 HB3 ALA A 122 -9.827 34.089 2.718 1.00 62.24 H new ATOM 1877 N ARG A 123 -9.475 31.582 1.416 1.00 32.13 N ATOM 1878 CA ARG A 123 -9.333 30.937 0.116 1.00 11.44 C ATOM 1879 C ARG A 123 -9.727 29.465 0.193 1.00 12.25 C ATOM 1880 O ARG A 123 -10.503 28.975 -0.627 1.00 74.32 O ATOM 1881 CB ARG A 123 -7.894 31.065 -0.386 1.00 3.54 C ATOM 1882 CG ARG A 123 -7.690 32.208 -1.367 1.00 14.20 C ATOM 1883 CD ARG A 123 -8.446 31.969 -2.665 1.00 0.02 C ATOM 1884 NE ARG A 123 -7.546 31.862 -3.810 1.00 73.22 N ATOM 1885 CZ ARG A 123 -7.941 32.006 -5.070 1.00 44.34 C ATOM 1886 NH1 ARG A 123 -9.212 32.263 -5.345 1.00 41.05 N ATOM 1887 NH2 ARG A 123 -7.062 31.894 -6.059 1.00 12.44 N ATOM 0 H ARG A 123 -8.642 32.077 1.734 1.00 32.13 H new ATOM 0 HA ARG A 123 -10.001 31.438 -0.585 1.00 11.44 H new ATOM 0 HB2 ARG A 123 -7.232 31.208 0.468 1.00 3.54 H new ATOM 0 HB3 ARG A 123 -7.601 30.130 -0.864 1.00 3.54 H new ATOM 0 HG2 ARG A 123 -8.026 33.141 -0.915 1.00 14.20 H new ATOM 0 HG3 ARG A 123 -6.627 32.322 -1.579 1.00 14.20 H new ATOM 0 HD2 ARG A 123 -9.034 31.055 -2.579 1.00 0.02 H new ATOM 0 HD3 ARG A 123 -9.149 32.786 -2.831 1.00 0.02 H new ATOM 0 HE ARG A 123 -6.561 31.666 -3.633 1.00 73.22 H new ATOM 0 HH11 ARG A 123 -9.890 32.351 -4.588 1.00 41.05 H new ATOM 0 HH12 ARG A 123 -9.512 32.373 -6.314 1.00 41.05 H new ATOM 0 HH21 ARG A 123 -6.083 31.697 -5.851 1.00 12.44 H new ATOM 0 HH22 ARG A 123 -7.366 32.005 -7.026 1.00 12.44 H new ATOM 1901 N THR A 124 -9.186 28.764 1.185 1.00 13.22 N ATOM 1902 CA THR A 124 -9.479 27.348 1.369 1.00 54.41 C ATOM 1903 C THR A 124 -10.977 27.114 1.533 1.00 24.31 C ATOM 1904 O THR A 124 -11.543 26.206 0.924 1.00 44.03 O ATOM 1905 CB THR A 124 -8.744 26.777 2.596 1.00 51.11 C ATOM 1906 OG1 THR A 124 -7.350 27.098 2.525 1.00 73.30 O ATOM 1907 CG2 THR A 124 -8.919 25.268 2.677 1.00 10.25 C ATOM 0 H THR A 124 -8.542 29.154 1.873 1.00 13.22 H new ATOM 0 HA THR A 124 -9.129 26.834 0.474 1.00 54.41 H new ATOM 0 HB THR A 124 -9.174 27.225 3.492 1.00 51.11 H new ATOM 0 HG1 THR A 124 -7.217 28.036 2.775 1.00 73.30 H new ATOM 0 HG21 THR A 124 -8.391 24.887 3.551 1.00 10.25 H new ATOM 0 HG22 THR A 124 -9.979 25.029 2.760 1.00 10.25 H new ATOM 0 HG23 THR A 124 -8.512 24.806 1.778 1.00 10.25 H new ATOM 1915 N ARG A 125 -11.613 27.938 2.359 1.00 21.43 N ATOM 1916 CA ARG A 125 -13.045 27.819 2.604 1.00 73.34 C ATOM 1917 C ARG A 125 -13.825 27.851 1.292 1.00 0.33 C ATOM 1918 O ARG A 125 -14.811 27.133 1.126 1.00 63.21 O ATOM 1919 CB ARG A 125 -13.523 28.946 3.521 1.00 21.54 C ATOM 1920 CG ARG A 125 -13.608 28.544 4.985 1.00 51.11 C ATOM 1921 CD ARG A 125 -14.814 27.656 5.250 1.00 65.44 C ATOM 1922 NE ARG A 125 -16.008 28.434 5.565 1.00 33.15 N ATOM 1923 CZ ARG A 125 -17.230 27.915 5.621 1.00 41.15 C ATOM 1924 NH1 ARG A 125 -17.417 26.624 5.383 1.00 40.35 N ATOM 1925 NH2 ARG A 125 -18.268 28.688 5.915 1.00 44.13 N ATOM 0 H ARG A 125 -11.159 28.695 2.870 1.00 21.43 H new ATOM 0 HA ARG A 125 -13.226 26.861 3.092 1.00 73.34 H new ATOM 0 HB2 ARG A 125 -12.845 29.794 3.424 1.00 21.54 H new ATOM 0 HB3 ARG A 125 -14.505 29.283 3.188 1.00 21.54 H new ATOM 0 HG2 ARG A 125 -12.698 28.018 5.272 1.00 51.11 H new ATOM 0 HG3 ARG A 125 -13.669 29.438 5.606 1.00 51.11 H new ATOM 0 HD2 ARG A 125 -15.006 27.035 4.375 1.00 65.44 H new ATOM 0 HD3 ARG A 125 -14.593 26.981 6.077 1.00 65.44 H new ATOM 0 HE ARG A 125 -15.898 29.431 5.752 1.00 33.15 H new ATOM 0 HH11 ARG A 125 -16.622 26.027 5.156 1.00 40.35 H new ATOM 0 HH12 ARG A 125 -18.356 26.228 5.427 1.00 40.35 H new ATOM 0 HH21 ARG A 125 -18.128 29.682 6.098 1.00 44.13 H new ATOM 0 HH22 ARG A 125 -19.206 28.288 5.958 1.00 44.13 H new ATOM 1939 N VAL A 126 -13.377 28.690 0.364 1.00 43.41 N ATOM 1940 CA VAL A 126 -14.031 28.817 -0.933 1.00 34.43 C ATOM 1941 C VAL A 126 -13.827 27.563 -1.776 1.00 35.12 C ATOM 1942 O VAL A 126 -14.759 27.075 -2.415 1.00 41.32 O ATOM 1943 CB VAL A 126 -13.504 30.037 -1.711 1.00 74.32 C ATOM 1944 CG1 VAL A 126 -14.218 30.166 -3.048 1.00 64.25 C ATOM 1945 CG2 VAL A 126 -13.666 31.305 -0.887 1.00 34.24 C ATOM 0 H VAL A 126 -12.563 29.292 0.486 1.00 43.41 H new ATOM 0 HA VAL A 126 -15.095 28.952 -0.739 1.00 34.43 H new ATOM 0 HB VAL A 126 -12.442 29.891 -1.906 1.00 74.32 H new ATOM 0 HG11 VAL A 126 -13.833 31.033 -3.584 1.00 64.25 H new ATOM 0 HG12 VAL A 126 -14.046 29.267 -3.641 1.00 64.25 H new ATOM 0 HG13 VAL A 126 -15.288 30.290 -2.879 1.00 64.25 H new ATOM 0 HG21 VAL A 126 -13.288 32.157 -1.452 1.00 34.24 H new ATOM 0 HG22 VAL A 126 -14.721 31.459 -0.660 1.00 34.24 H new ATOM 0 HG23 VAL A 126 -13.105 31.209 0.043 1.00 34.24 H new ATOM 1955 N GLU A 127 -12.603 27.046 -1.771 1.00 63.11 N ATOM 1956 CA GLU A 127 -12.277 25.848 -2.536 1.00 41.24 C ATOM 1957 C GLU A 127 -12.996 24.628 -1.969 1.00 22.31 C ATOM 1958 O GLU A 127 -13.274 23.668 -2.687 1.00 44.15 O ATOM 1959 CB GLU A 127 -10.765 25.610 -2.534 1.00 54.23 C ATOM 1960 CG GLU A 127 -10.148 25.604 -3.923 1.00 34.32 C ATOM 1961 CD GLU A 127 -8.917 26.483 -4.018 1.00 42.10 C ATOM 1962 OE1 GLU A 127 -7.865 26.093 -3.470 1.00 43.03 O ATOM 1963 OE2 GLU A 127 -9.006 27.562 -4.641 1.00 64.11 O ATOM 0 H GLU A 127 -11.821 27.437 -1.246 1.00 63.11 H new ATOM 0 HA GLU A 127 -12.612 26.001 -3.562 1.00 41.24 H new ATOM 0 HB2 GLU A 127 -10.285 26.384 -1.936 1.00 54.23 H new ATOM 0 HB3 GLU A 127 -10.556 24.657 -2.049 1.00 54.23 H new ATOM 0 HG2 GLU A 127 -9.882 24.582 -4.194 1.00 34.32 H new ATOM 0 HG3 GLU A 127 -10.889 25.943 -4.647 1.00 34.32 H new ATOM 1970 N ALA A 128 -13.293 24.672 -0.674 1.00 54.44 N ATOM 1971 CA ALA A 128 -13.981 23.572 -0.010 1.00 42.01 C ATOM 1972 C ALA A 128 -15.493 23.701 -0.157 1.00 71.55 C ATOM 1973 O ALA A 128 -16.203 22.701 -0.266 1.00 61.22 O ATOM 1974 CB ALA A 128 -13.594 23.519 1.461 1.00 54.44 C ATOM 0 H ALA A 128 -13.068 25.458 -0.064 1.00 54.44 H new ATOM 0 HA ALA A 128 -13.674 22.642 -0.489 1.00 42.01 H new ATOM 0 HB1 ALA A 128 -14.115 22.693 1.945 1.00 54.44 H new ATOM 0 HB2 ALA A 128 -12.518 23.370 1.549 1.00 54.44 H new ATOM 0 HB3 ALA A 128 -13.872 24.456 1.944 1.00 54.44 H new ATOM 1980 N SER A 129 -15.980 24.937 -0.160 1.00 2.44 N ATOM 1981 CA SER A 129 -17.409 25.196 -0.289 1.00 50.21 C ATOM 1982 C SER A 129 -17.919 24.756 -1.658 1.00 31.11 C ATOM 1983 O SER A 129 -18.995 24.171 -1.772 1.00 70.45 O ATOM 1984 CB SER A 129 -17.701 26.683 -0.078 1.00 2.14 C ATOM 1985 OG SER A 129 -18.055 26.947 1.269 1.00 62.11 O ATOM 0 H SER A 129 -15.406 25.776 -0.075 1.00 2.44 H new ATOM 0 HA SER A 129 -17.928 24.619 0.476 1.00 50.21 H new ATOM 0 HB2 SER A 129 -16.824 27.271 -0.349 1.00 2.14 H new ATOM 0 HB3 SER A 129 -18.510 26.995 -0.738 1.00 2.14 H new ATOM 0 HG SER A 129 -18.235 27.904 1.378 1.00 62.11 H new ATOM 1991 N ASN A 130 -17.137 25.042 -2.694 1.00 14.51 N ATOM 1992 CA ASN A 130 -17.509 24.677 -4.056 1.00 11.10 C ATOM 1993 C ASN A 130 -16.404 23.862 -4.721 1.00 73.12 C ATOM 1994 O ASN A 130 -16.033 24.117 -5.867 1.00 61.14 O ATOM 1995 CB ASN A 130 -17.800 25.932 -4.881 1.00 41.15 C ATOM 1996 CG ASN A 130 -18.830 26.830 -4.225 1.00 12.24 C ATOM 1997 OD1 ASN A 130 -18.488 27.717 -3.442 1.00 33.10 O ATOM 1998 ND2 ASN A 130 -20.100 26.604 -4.541 1.00 61.20 N ATOM 0 H ASN A 130 -16.242 25.525 -2.616 1.00 14.51 H new ATOM 0 HA ASN A 130 -18.410 24.065 -4.009 1.00 11.10 H new ATOM 0 HB2 ASN A 130 -16.875 26.490 -5.026 1.00 41.15 H new ATOM 0 HB3 ASN A 130 -18.154 25.639 -5.869 1.00 41.15 H new ATOM 0 HD21 ASN A 130 -20.837 27.176 -4.130 1.00 61.20 H new ATOM 0 HD22 ASN A 130 -20.338 25.858 -5.195 1.00 61.20 H new ATOM 2005 N THR A 131 -15.882 22.879 -3.994 1.00 73.34 N ATOM 2006 CA THR A 131 -14.820 22.026 -4.513 1.00 10.02 C ATOM 2007 C THR A 131 -15.237 21.361 -5.819 1.00 72.14 C ATOM 2008 O THR A 131 -14.530 21.448 -6.824 1.00 75.31 O ATOM 2009 CB THR A 131 -14.429 20.936 -3.497 1.00 44.02 C ATOM 2010 OG1 THR A 131 -14.787 21.348 -2.174 1.00 10.34 O ATOM 2011 CG2 THR A 131 -12.936 20.651 -3.558 1.00 64.32 C ATOM 0 H THR A 131 -16.177 22.654 -3.044 1.00 73.34 H new ATOM 0 HA THR A 131 -13.959 22.669 -4.695 1.00 10.02 H new ATOM 0 HB THR A 131 -14.968 20.023 -3.751 1.00 44.02 H new ATOM 0 HG1 THR A 131 -14.536 20.649 -1.535 1.00 10.34 H new ATOM 0 HG21 THR A 131 -12.683 19.878 -2.832 1.00 64.32 H new ATOM 0 HG22 THR A 131 -12.671 20.309 -4.559 1.00 64.32 H new ATOM 0 HG23 THR A 131 -12.382 21.561 -3.327 1.00 64.32 H new ATOM 2019 N ILE A 132 -16.388 20.698 -5.799 1.00 75.02 N ATOM 2020 CA ILE A 132 -16.900 20.020 -6.984 1.00 22.22 C ATOM 2021 C ILE A 132 -18.419 19.895 -6.933 1.00 22.20 C ATOM 2022 O ILE A 132 -18.961 19.094 -6.171 1.00 42.21 O ATOM 2023 CB ILE A 132 -16.285 18.616 -7.138 1.00 53.11 C ATOM 2024 CG1 ILE A 132 -16.307 17.876 -5.799 1.00 72.12 C ATOM 2025 CG2 ILE A 132 -14.864 18.716 -7.671 1.00 61.23 C ATOM 2026 CD1 ILE A 132 -16.812 16.454 -5.903 1.00 74.10 C ATOM 0 H ILE A 132 -16.984 20.616 -4.975 1.00 75.02 H new ATOM 0 HA ILE A 132 -16.617 20.628 -7.843 1.00 22.22 H new ATOM 0 HB ILE A 132 -16.882 18.051 -7.854 1.00 53.11 H new ATOM 0 HG12 ILE A 132 -15.300 17.866 -5.382 1.00 72.12 H new ATOM 0 HG13 ILE A 132 -16.936 18.426 -5.099 1.00 72.12 H new ATOM 0 HG21 ILE A 132 -14.443 17.716 -7.774 1.00 61.23 H new ATOM 0 HG22 ILE A 132 -14.874 19.208 -8.644 1.00 61.23 H new ATOM 0 HG23 ILE A 132 -14.255 19.296 -6.977 1.00 61.23 H new ATOM 0 HD11 ILE A 132 -16.800 15.991 -4.916 1.00 74.10 H new ATOM 0 HD12 ILE A 132 -17.831 16.457 -6.290 1.00 74.10 H new ATOM 0 HD13 ILE A 132 -16.169 15.888 -6.577 1.00 74.10 H new ATOM 2038 N SER A 133 -19.100 20.691 -7.751 1.00 33.32 N ATOM 2039 CA SER A 133 -20.558 20.671 -7.798 1.00 64.21 C ATOM 2040 C SER A 133 -21.050 20.078 -9.115 1.00 14.51 C ATOM 2041 O SER A 133 -20.470 20.321 -10.173 1.00 54.31 O ATOM 2042 CB SER A 133 -21.114 22.085 -7.622 1.00 41.10 C ATOM 2043 OG SER A 133 -21.664 22.259 -6.328 1.00 15.11 O ATOM 0 H SER A 133 -18.666 21.357 -8.390 1.00 33.32 H new ATOM 0 HA SER A 133 -20.916 20.044 -6.981 1.00 64.21 H new ATOM 0 HB2 SER A 133 -20.320 22.814 -7.784 1.00 41.10 H new ATOM 0 HB3 SER A 133 -21.879 22.274 -8.374 1.00 41.10 H new ATOM 0 HG SER A 133 -22.011 23.171 -6.240 1.00 15.11 H new ATOM 2049 N SER A 134 -22.125 19.300 -9.041 1.00 31.23 N ATOM 2050 CA SER A 134 -22.695 18.669 -10.225 1.00 60.34 C ATOM 2051 C SER A 134 -23.958 19.397 -10.675 1.00 2.52 C ATOM 2052 O SER A 134 -23.898 20.324 -11.481 1.00 64.15 O ATOM 2053 CB SER A 134 -23.014 17.199 -9.943 1.00 3.30 C ATOM 2054 OG SER A 134 -24.140 16.769 -10.688 1.00 0.51 O ATOM 0 H SER A 134 -22.619 19.092 -8.173 1.00 31.23 H new ATOM 0 HA SER A 134 -21.958 18.727 -11.026 1.00 60.34 H new ATOM 0 HB2 SER A 134 -22.151 16.582 -10.194 1.00 3.30 H new ATOM 0 HB3 SER A 134 -23.205 17.063 -8.879 1.00 3.30 H new ATOM 0 HG SER A 134 -24.322 15.826 -10.491 1.00 0.51 H new