USER MOD reduce.3.24.130724 H: found=0, std=0, add=1045, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1045 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 ASN : amide:sc= -6.83! C(o=-14!,f=-19!) USER MOD Set 1.2: A 89 ASN : amide:sc= -7.61! C(o=-14!,f=-19!) USER MOD Set 2.1: A 32 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 36 TYR OH : rot 180:sc= 0.367 USER MOD Set 2.3: A 77 SER OG : rot -27:sc= 0.895 USER MOD Set 2.4: A 81 GLN :FLIP amide:sc= -0.677! F(o=-0.36,f=0.59!) USER MOD Set 3.1: A 29 ASN : amide:sc= -0.999! C(o=-0.71!,f=-8.4!) USER MOD Set 3.2: A 74 LYS NZ :NH3+ -119:sc= 0.29 (180deg=-0.171) USER MOD Set 4.1: A 14 THR OG1 : rot -110:sc= 1.1 USER MOD Set 4.2: A 19 THR OG1 : rot 143:sc= 1.09 USER MOD Single : A 1 GLY N :NH3+ 132:sc= 0.0593 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.196 K(o=-0.2,f=-0.8) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0953 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -149:sc= -1.89! USER MOD Single : A 21 ASN : amide:sc= 0.478 K(o=0.48,f=-0.49) USER MOD Single : A 22 GLN :FLIP amide:sc= -2.19 F(o=-5.5!,f=-2.2) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 94:sc= 1.25 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.625 USER MOD Single : A 38 ASN : amide:sc= -1.62 X(o=-1.6,f=-1.9) USER MOD Single : A 39 SER OG : rot 180:sc= 0.0262 USER MOD Single : A 40 ASN : amide:sc= -0.015 K(o=-0.015,f=-1.4) USER MOD Single : A 41 LYS NZ :NH3+ 168:sc= -1.32! (180deg=-1.72!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.00304 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN :FLIP amide:sc= -0.0387 F(o=-1.4!,f=-0.039) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 167:sc= 1.27 (180deg=1.03) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 75:sc= 0.698 USER MOD Single : A 68 HIS :FLIP no HE2:sc= -7.44! C(o=-9.4!,f=-7.4!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 12:sc= 1.03 USER MOD Single : A 75 TYR OH : rot 165:sc= -0.978 USER MOD Single : A 80 THR OG1 : rot 92:sc= 1.22 USER MOD Single : A 83 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0238) USER MOD Single : A 86 GLN :FLIP amide:sc= -1.04 F(o=-2!,f=-1) USER MOD Single : A 91 GLN : amide:sc= -0.218 K(o=-0.22,f=-9.9!) USER MOD Single : A 94 LYS NZ :NH3+ 173:sc= 1.23 (180deg=0.939) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ -161:sc= 0.826 (180deg=0.52) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot -85:sc= -0.638! USER MOD Single : A 121 ASN : amide:sc= -6.54! C(o=-6.5!,f=-9.7!) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0.00137 USER MOD Single : A 126 LYS NZ :NH3+ 175:sc=-0.00186 (180deg=-0.0626) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.700 -9.420 -14.121 1.00 22.48 N ATOM 2 CA GLY A 1 -12.918 -8.282 -15.047 1.00 22.34 C ATOM 3 C GLY A 1 -11.777 -8.125 -16.032 1.00 22.10 C ATOM 4 O GLY A 1 -10.649 -8.532 -15.749 1.00 22.12 O ATOM 0 H1 GLY A 1 -12.880 -9.112 -13.144 1.00 22.48 H new ATOM 0 H2 GLY A 1 -13.349 -10.195 -14.365 1.00 22.48 H new ATOM 0 H3 GLY A 1 -11.718 -9.752 -14.204 1.00 22.48 H new ATOM 0 HA2 GLY A 1 -13.850 -8.432 -15.592 1.00 22.34 H new ATOM 0 HA3 GLY A 1 -13.030 -7.363 -14.472 1.00 22.34 H new ATOM 10 N HIS A 2 -12.063 -7.540 -17.190 1.00 21.98 N ATOM 11 CA HIS A 2 -11.044 -7.338 -18.219 1.00 21.88 C ATOM 12 C HIS A 2 -10.402 -5.961 -18.082 1.00 21.50 C ATOM 13 O HIS A 2 -10.658 -5.063 -18.888 1.00 21.64 O ATOM 14 CB HIS A 2 -11.641 -7.496 -19.622 1.00 22.32 C ATOM 15 CG HIS A 2 -12.047 -8.898 -19.956 1.00 22.67 C ATOM 16 ND1 HIS A 2 -13.360 -9.316 -19.995 1.00 22.91 N ATOM 17 CD2 HIS A 2 -11.303 -9.982 -20.275 1.00 22.94 C ATOM 18 CE1 HIS A 2 -13.403 -10.591 -20.325 1.00 23.31 C ATOM 19 NE2 HIS A 2 -12.170 -11.022 -20.502 1.00 23.33 N ATOM 0 H HIS A 2 -12.990 -7.197 -17.441 1.00 21.98 H new ATOM 0 HA HIS A 2 -10.277 -8.100 -18.079 1.00 21.88 H new ATOM 0 HB2 HIS A 2 -12.511 -6.846 -19.711 1.00 22.32 H new ATOM 0 HB3 HIS A 2 -10.912 -7.155 -20.357 1.00 22.32 H new ATOM 0 HD2 HIS A 2 -10.226 -10.022 -20.339 1.00 22.94 H new ATOM 0 HE1 HIS A 2 -14.299 -11.184 -20.433 1.00 23.31 H new ATOM 0 HE2 HIS A 2 -11.904 -11.971 -20.764 1.00 23.33 H new ATOM 28 N MET A 3 -9.579 -5.805 -17.047 1.00 21.13 N ATOM 29 CA MET A 3 -8.853 -4.558 -16.794 1.00 20.87 C ATOM 30 C MET A 3 -9.804 -3.377 -16.636 1.00 20.26 C ATOM 31 O MET A 3 -9.546 -2.280 -17.136 1.00 20.24 O ATOM 32 CB MET A 3 -7.837 -4.276 -17.905 1.00 21.09 C ATOM 33 CG MET A 3 -6.658 -5.231 -17.896 1.00 21.38 C ATOM 34 SD MET A 3 -5.741 -5.171 -16.344 1.00 21.89 S ATOM 35 CE MET A 3 -4.507 -6.433 -16.638 1.00 22.11 C ATOM 0 H MET A 3 -9.396 -6.537 -16.360 1.00 21.13 H new ATOM 0 HA MET A 3 -8.314 -4.685 -15.855 1.00 20.87 H new ATOM 0 HB2 MET A 3 -8.339 -4.338 -18.871 1.00 21.09 H new ATOM 0 HB3 MET A 3 -7.470 -3.255 -17.801 1.00 21.09 H new ATOM 0 HG2 MET A 3 -7.015 -6.247 -18.066 1.00 21.38 H new ATOM 0 HG3 MET A 3 -5.989 -4.986 -18.721 1.00 21.38 H new ATOM 0 HE1 MET A 3 -3.858 -6.518 -15.766 1.00 22.11 H new ATOM 0 HE2 MET A 3 -5.000 -7.389 -16.818 1.00 22.11 H new ATOM 0 HE3 MET A 3 -3.910 -6.162 -17.509 1.00 22.11 H new ATOM 45 N GLN A 4 -10.900 -3.617 -15.940 1.00 19.88 N ATOM 46 CA GLN A 4 -11.867 -2.577 -15.647 1.00 19.37 C ATOM 47 C GLN A 4 -12.556 -2.893 -14.329 1.00 18.69 C ATOM 48 O GLN A 4 -13.438 -3.751 -14.264 1.00 18.61 O ATOM 49 CB GLN A 4 -12.895 -2.444 -16.773 1.00 19.44 C ATOM 50 CG GLN A 4 -13.862 -1.286 -16.573 1.00 19.70 C ATOM 51 CD GLN A 4 -13.155 0.050 -16.440 1.00 20.20 C ATOM 52 OE1 GLN A 4 -12.091 0.264 -17.017 1.00 20.59 O ATOM 53 NE2 GLN A 4 -13.740 0.954 -15.673 1.00 20.31 N ATOM 0 H GLN A 4 -11.144 -4.533 -15.564 1.00 19.88 H new ATOM 0 HA GLN A 4 -11.346 -1.623 -15.566 1.00 19.37 H new ATOM 0 HB2 GLN A 4 -12.371 -2.311 -17.720 1.00 19.44 H new ATOM 0 HB3 GLN A 4 -13.462 -3.372 -16.850 1.00 19.44 H new ATOM 0 HG2 GLN A 4 -14.553 -1.245 -17.415 1.00 19.70 H new ATOM 0 HG3 GLN A 4 -14.460 -1.467 -15.680 1.00 19.70 H new ATOM 0 HE21 GLN A 4 -14.623 0.737 -15.212 1.00 20.31 H new ATOM 0 HE22 GLN A 4 -13.308 1.869 -15.543 1.00 20.31 H new ATOM 62 N VAL A 5 -12.120 -2.209 -13.284 1.00 18.32 N ATOM 63 CA VAL A 5 -12.603 -2.457 -11.935 1.00 17.78 C ATOM 64 C VAL A 5 -14.108 -2.227 -11.807 1.00 17.06 C ATOM 65 O VAL A 5 -14.640 -1.212 -12.273 1.00 16.99 O ATOM 66 CB VAL A 5 -11.861 -1.575 -10.912 1.00 18.09 C ATOM 67 CG1 VAL A 5 -10.404 -2.001 -10.807 1.00 18.26 C ATOM 68 CG2 VAL A 5 -11.963 -0.106 -11.298 1.00 18.37 C ATOM 0 H VAL A 5 -11.422 -1.467 -13.346 1.00 18.32 H new ATOM 0 HA VAL A 5 -12.402 -3.507 -11.723 1.00 17.78 H new ATOM 0 HB VAL A 5 -12.331 -1.705 -9.937 1.00 18.09 H new ATOM 0 HG11 VAL A 5 -9.892 -1.370 -10.081 1.00 18.26 H new ATOM 0 HG12 VAL A 5 -10.351 -3.041 -10.485 1.00 18.26 H new ATOM 0 HG13 VAL A 5 -9.924 -1.898 -11.780 1.00 18.26 H new ATOM 0 HG21 VAL A 5 -11.433 0.501 -10.564 1.00 18.37 H new ATOM 0 HG22 VAL A 5 -11.518 0.044 -12.282 1.00 18.37 H new ATOM 0 HG23 VAL A 5 -13.011 0.191 -11.325 1.00 18.37 H new ATOM 78 N ALA A 6 -14.780 -3.193 -11.187 1.00 16.65 N ATOM 79 CA ALA A 6 -16.211 -3.111 -10.903 1.00 16.09 C ATOM 80 C ALA A 6 -17.039 -2.900 -12.168 1.00 15.56 C ATOM 81 O ALA A 6 -18.005 -2.135 -12.172 1.00 15.23 O ATOM 82 CB ALA A 6 -16.490 -2.007 -9.889 1.00 16.02 C ATOM 0 H ALA A 6 -14.346 -4.059 -10.866 1.00 16.65 H new ATOM 0 HA ALA A 6 -16.513 -4.068 -10.478 1.00 16.09 H new ATOM 0 HB1 ALA A 6 -17.560 -1.959 -9.688 1.00 16.02 H new ATOM 0 HB2 ALA A 6 -15.956 -2.220 -8.963 1.00 16.02 H new ATOM 0 HB3 ALA A 6 -16.153 -1.051 -10.290 1.00 16.02 H new ATOM 88 N ARG A 7 -16.664 -3.578 -13.244 1.00 15.63 N ATOM 89 CA ARG A 7 -17.425 -3.506 -14.481 1.00 15.34 C ATOM 90 C ARG A 7 -18.559 -4.522 -14.459 1.00 14.74 C ATOM 91 O ARG A 7 -19.640 -4.276 -14.995 1.00 14.45 O ATOM 92 CB ARG A 7 -16.525 -3.748 -15.698 1.00 15.83 C ATOM 93 CG ARG A 7 -17.267 -3.647 -17.021 1.00 16.12 C ATOM 94 CD ARG A 7 -16.328 -3.743 -18.213 1.00 16.49 C ATOM 95 NE ARG A 7 -17.052 -3.623 -19.477 1.00 16.78 N ATOM 96 CZ ARG A 7 -16.559 -3.047 -20.574 1.00 17.15 C ATOM 97 NH1 ARG A 7 -15.325 -2.556 -20.579 1.00 17.29 N1+ ATOM 98 NH2 ARG A 7 -17.300 -2.972 -21.672 1.00 17.53 N ATOM 0 H ARG A 7 -15.842 -4.181 -13.285 1.00 15.63 H new ATOM 0 HA ARG A 7 -17.844 -2.503 -14.563 1.00 15.34 H new ATOM 0 HB2 ARG A 7 -15.711 -3.024 -15.689 1.00 15.83 H new ATOM 0 HB3 ARG A 7 -16.073 -4.737 -15.617 1.00 15.83 H new ATOM 0 HG2 ARG A 7 -18.010 -4.442 -17.081 1.00 16.12 H new ATOM 0 HG3 ARG A 7 -17.808 -2.701 -17.061 1.00 16.12 H new ATOM 0 HD2 ARG A 7 -15.575 -2.958 -18.148 1.00 16.49 H new ATOM 0 HD3 ARG A 7 -15.799 -4.696 -18.185 1.00 16.49 H new ATOM 0 HE ARG A 7 -17.997 -4.005 -19.523 1.00 16.78 H new ATOM 0 HH11 ARG A 7 -14.748 -2.618 -19.740 1.00 17.29 H new ATOM 0 HH12 ARG A 7 -14.954 -2.117 -21.422 1.00 17.29 H new ATOM 0 HH21 ARG A 7 -18.246 -3.355 -21.676 1.00 17.53 H new ATOM 0 HH22 ARG A 7 -16.924 -2.532 -22.512 1.00 17.53 H new ATOM 112 N SER A 8 -18.311 -5.659 -13.829 1.00 14.73 N ATOM 113 CA SER A 8 -19.314 -6.701 -13.732 1.00 14.36 C ATOM 114 C SER A 8 -19.173 -7.462 -12.418 1.00 13.83 C ATOM 115 O SER A 8 -18.100 -7.975 -12.094 1.00 13.83 O ATOM 116 CB SER A 8 -19.202 -7.663 -14.919 1.00 14.71 C ATOM 117 OG SER A 8 -20.268 -8.602 -14.926 1.00 15.09 O ATOM 0 H SER A 8 -17.423 -5.881 -13.378 1.00 14.73 H new ATOM 0 HA SER A 8 -20.298 -6.233 -13.755 1.00 14.36 H new ATOM 0 HB2 SER A 8 -19.208 -7.097 -15.850 1.00 14.71 H new ATOM 0 HB3 SER A 8 -18.250 -8.191 -14.873 1.00 14.71 H new ATOM 0 HG SER A 8 -20.171 -9.201 -15.695 1.00 15.09 H new ATOM 123 N THR A 9 -20.261 -7.510 -11.666 1.00 13.57 N ATOM 124 CA THR A 9 -20.315 -8.260 -10.425 1.00 13.24 C ATOM 125 C THR A 9 -21.708 -8.863 -10.269 1.00 12.78 C ATOM 126 O THR A 9 -22.617 -8.515 -11.028 1.00 12.86 O ATOM 127 CB THR A 9 -19.975 -7.365 -9.207 1.00 13.31 C ATOM 128 OG1 THR A 9 -19.927 -8.148 -8.004 1.00 13.75 O ATOM 129 CG2 THR A 9 -20.995 -6.246 -9.044 1.00 13.07 C ATOM 0 H THR A 9 -21.130 -7.030 -11.900 1.00 13.57 H new ATOM 0 HA THR A 9 -19.570 -9.054 -10.463 1.00 13.24 H new ATOM 0 HB THR A 9 -18.996 -6.921 -9.388 1.00 13.31 H new ATOM 0 HG1 THR A 9 -19.709 -7.568 -7.245 1.00 13.75 H new ATOM 0 HG21 THR A 9 -20.730 -5.635 -8.181 1.00 13.07 H new ATOM 0 HG22 THR A 9 -21.001 -5.626 -9.940 1.00 13.07 H new ATOM 0 HG23 THR A 9 -21.985 -6.676 -8.894 1.00 13.07 H new ATOM 137 N LYS A 10 -21.876 -9.769 -9.314 1.00 12.51 N ATOM 138 CA LYS A 10 -23.162 -10.423 -9.098 1.00 12.26 C ATOM 139 C LYS A 10 -24.266 -9.394 -8.832 1.00 11.57 C ATOM 140 O LYS A 10 -25.179 -9.238 -9.643 1.00 11.56 O ATOM 141 CB LYS A 10 -23.065 -11.451 -7.960 1.00 12.85 C ATOM 142 CG LYS A 10 -22.378 -10.939 -6.700 1.00 13.32 C ATOM 143 CD LYS A 10 -22.223 -12.038 -5.665 1.00 13.86 C ATOM 144 CE LYS A 10 -21.527 -11.529 -4.414 1.00 14.21 C ATOM 145 NZ LYS A 10 -21.382 -12.596 -3.390 1.00 14.58 N1+ ATOM 0 H LYS A 10 -21.138 -10.068 -8.676 1.00 12.51 H new ATOM 0 HA LYS A 10 -23.429 -10.959 -10.009 1.00 12.26 H new ATOM 0 HB2 LYS A 10 -24.070 -11.782 -7.701 1.00 12.85 H new ATOM 0 HB3 LYS A 10 -22.525 -12.325 -8.323 1.00 12.85 H new ATOM 0 HG2 LYS A 10 -21.397 -10.538 -6.956 1.00 13.32 H new ATOM 0 HG3 LYS A 10 -22.957 -10.118 -6.277 1.00 13.32 H new ATOM 0 HD2 LYS A 10 -23.204 -12.433 -5.402 1.00 13.86 H new ATOM 0 HD3 LYS A 10 -21.651 -12.863 -6.091 1.00 13.86 H new ATOM 0 HE2 LYS A 10 -20.543 -11.142 -4.678 1.00 14.21 H new ATOM 0 HE3 LYS A 10 -22.094 -10.698 -3.995 1.00 14.21 H new ATOM 0 HZ1 LYS A 10 -20.903 -12.210 -2.552 1.00 14.58 H new ATOM 0 HZ2 LYS A 10 -22.323 -12.948 -3.120 1.00 14.58 H new ATOM 0 HZ3 LYS A 10 -20.819 -13.378 -3.781 1.00 14.58 H new ATOM 159 N GLU A 11 -24.154 -8.681 -7.720 1.00 11.20 N ATOM 160 CA GLU A 11 -25.101 -7.636 -7.345 1.00 10.71 C ATOM 161 C GLU A 11 -24.433 -6.685 -6.369 1.00 9.66 C ATOM 162 O GLU A 11 -23.504 -7.074 -5.658 1.00 9.26 O ATOM 163 CB GLU A 11 -26.364 -8.227 -6.698 1.00 11.05 C ATOM 164 CG GLU A 11 -27.367 -8.813 -7.684 1.00 11.92 C ATOM 165 CD GLU A 11 -28.064 -7.757 -8.521 1.00 12.59 C ATOM 166 OE1 GLU A 11 -29.307 -7.647 -8.446 1.00 13.16 O ATOM 167 OE2 GLU A 11 -27.372 -7.014 -9.251 1.00 12.70 O1- ATOM 0 H GLU A 11 -23.399 -8.811 -7.047 1.00 11.20 H new ATOM 0 HA GLU A 11 -25.401 -7.105 -8.249 1.00 10.71 H new ATOM 0 HB2 GLU A 11 -26.066 -9.006 -5.997 1.00 11.05 H new ATOM 0 HB3 GLU A 11 -26.858 -7.448 -6.118 1.00 11.05 H new ATOM 0 HG2 GLU A 11 -26.853 -9.511 -8.345 1.00 11.92 H new ATOM 0 HG3 GLU A 11 -28.115 -9.386 -7.135 1.00 11.92 H new ATOM 174 N ILE A 12 -24.882 -5.444 -6.347 1.00 9.40 N ATOM 175 CA ILE A 12 -24.386 -4.471 -5.392 1.00 8.58 C ATOM 176 C ILE A 12 -25.492 -4.097 -4.414 1.00 8.21 C ATOM 177 O ILE A 12 -26.088 -3.022 -4.504 1.00 8.57 O ATOM 178 CB ILE A 12 -23.861 -3.198 -6.088 1.00 8.89 C ATOM 179 CG1 ILE A 12 -22.847 -3.572 -7.172 1.00 9.53 C ATOM 180 CG2 ILE A 12 -23.236 -2.260 -5.064 1.00 8.32 C ATOM 181 CD1 ILE A 12 -22.216 -2.381 -7.864 1.00 10.10 C ATOM 0 H ILE A 12 -25.593 -5.085 -6.984 1.00 9.40 H new ATOM 0 HA ILE A 12 -23.553 -4.929 -4.858 1.00 8.58 H new ATOM 0 HB ILE A 12 -24.696 -2.681 -6.561 1.00 8.89 H new ATOM 0 HG12 ILE A 12 -22.059 -4.178 -6.724 1.00 9.53 H new ATOM 0 HG13 ILE A 12 -23.342 -4.193 -7.919 1.00 9.53 H new ATOM 0 HG21 ILE A 12 -22.869 -1.365 -5.567 1.00 8.32 H new ATOM 0 HG22 ILE A 12 -23.985 -1.979 -4.323 1.00 8.32 H new ATOM 0 HG23 ILE A 12 -22.406 -2.764 -4.568 1.00 8.32 H new ATOM 0 HD11 ILE A 12 -21.510 -2.730 -8.618 1.00 10.10 H new ATOM 0 HD12 ILE A 12 -22.993 -1.785 -8.343 1.00 10.10 H new ATOM 0 HD13 ILE A 12 -21.691 -1.770 -7.130 1.00 10.10 H new ATOM 193 N GLU A 13 -25.798 -5.013 -3.510 1.00 7.77 N ATOM 194 CA GLU A 13 -26.818 -4.781 -2.513 1.00 7.68 C ATOM 195 C GLU A 13 -26.363 -5.307 -1.160 1.00 6.98 C ATOM 196 O GLU A 13 -27.099 -6.040 -0.496 1.00 6.99 O ATOM 197 CB GLU A 13 -28.108 -5.494 -2.899 1.00 8.41 C ATOM 198 CG GLU A 13 -28.565 -5.248 -4.321 1.00 9.30 C ATOM 199 CD GLU A 13 -29.879 -5.930 -4.633 1.00 10.20 C ATOM 200 OE1 GLU A 13 -29.920 -7.180 -4.628 1.00 10.61 O ATOM 201 OE2 GLU A 13 -30.875 -5.226 -4.894 1.00 10.66 O1- ATOM 0 H GLU A 13 -25.349 -5.927 -3.450 1.00 7.77 H new ATOM 0 HA GLU A 13 -26.993 -3.707 -2.454 1.00 7.68 H new ATOM 0 HB2 GLU A 13 -27.972 -6.566 -2.756 1.00 8.41 H new ATOM 0 HB3 GLU A 13 -28.899 -5.180 -2.218 1.00 8.41 H new ATOM 0 HG2 GLU A 13 -28.668 -4.175 -4.486 1.00 9.30 H new ATOM 0 HG3 GLU A 13 -27.801 -5.605 -5.012 1.00 9.30 H new ATOM 208 N THR A 14 -25.151 -4.965 -0.762 1.00 6.67 N ATOM 209 CA THR A 14 -24.642 -5.417 0.518 1.00 6.26 C ATOM 210 C THR A 14 -25.478 -4.816 1.645 1.00 5.40 C ATOM 211 O THR A 14 -26.193 -5.540 2.343 1.00 5.42 O ATOM 212 CB THR A 14 -23.147 -5.064 0.702 1.00 6.72 C ATOM 213 OG1 THR A 14 -22.934 -3.656 0.531 1.00 7.42 O ATOM 214 CG2 THR A 14 -22.285 -5.827 -0.292 1.00 7.00 C ATOM 0 H THR A 14 -24.508 -4.383 -1.299 1.00 6.67 H new ATOM 0 HA THR A 14 -24.721 -6.504 0.548 1.00 6.26 H new ATOM 0 HB THR A 14 -22.862 -5.350 1.714 1.00 6.72 H new ATOM 0 HG1 THR A 14 -22.442 -3.498 -0.302 1.00 7.42 H new ATOM 0 HG21 THR A 14 -21.238 -5.563 -0.144 1.00 7.00 H new ATOM 0 HG22 THR A 14 -22.414 -6.898 -0.138 1.00 7.00 H new ATOM 0 HG23 THR A 14 -22.584 -5.568 -1.307 1.00 7.00 H new ATOM 222 N SER A 15 -25.395 -3.495 1.794 1.00 5.02 N ATOM 223 CA SER A 15 -26.259 -2.740 2.700 1.00 4.54 C ATOM 224 C SER A 15 -26.299 -3.346 4.106 1.00 3.88 C ATOM 225 O SER A 15 -27.360 -3.451 4.727 1.00 4.02 O ATOM 226 CB SER A 15 -27.667 -2.656 2.109 1.00 5.20 C ATOM 227 OG SER A 15 -27.633 -2.086 0.808 1.00 6.06 O ATOM 0 H SER A 15 -24.724 -2.916 1.288 1.00 5.02 H new ATOM 0 HA SER A 15 -25.843 -1.738 2.803 1.00 4.54 H new ATOM 0 HB2 SER A 15 -28.108 -3.652 2.064 1.00 5.20 H new ATOM 0 HB3 SER A 15 -28.304 -2.055 2.758 1.00 5.20 H new ATOM 0 HG SER A 15 -28.543 -2.042 0.446 1.00 6.06 H new ATOM 233 N GLN A 16 -25.139 -3.752 4.593 1.00 3.65 N ATOM 234 CA GLN A 16 -25.017 -4.278 5.942 1.00 3.49 C ATOM 235 C GLN A 16 -24.624 -3.153 6.889 1.00 2.88 C ATOM 236 O GLN A 16 -25.128 -3.049 8.009 1.00 3.21 O ATOM 237 CB GLN A 16 -23.982 -5.398 5.975 1.00 4.06 C ATOM 238 CG GLN A 16 -23.742 -5.973 7.359 1.00 4.50 C ATOM 239 CD GLN A 16 -22.771 -7.135 7.348 1.00 5.43 C ATOM 240 OE1 GLN A 16 -21.881 -7.212 6.497 1.00 5.86 O ATOM 241 NE2 GLN A 16 -22.932 -8.044 8.291 1.00 6.06 N ATOM 0 H GLN A 16 -24.263 -3.727 4.071 1.00 3.65 H new ATOM 0 HA GLN A 16 -25.974 -4.690 6.261 1.00 3.49 H new ATOM 0 HB2 GLN A 16 -24.307 -6.199 5.311 1.00 4.06 H new ATOM 0 HB3 GLN A 16 -23.039 -5.020 5.581 1.00 4.06 H new ATOM 0 HG2 GLN A 16 -23.357 -5.189 8.012 1.00 4.50 H new ATOM 0 HG3 GLN A 16 -24.692 -6.302 7.781 1.00 4.50 H new ATOM 0 HE21 GLN A 16 -23.681 -7.942 8.975 1.00 6.06 H new ATOM 0 HE22 GLN A 16 -22.307 -8.849 8.335 1.00 6.06 H new ATOM 250 N SER A 17 -23.726 -2.310 6.413 1.00 2.48 N ATOM 251 CA SER A 17 -23.301 -1.133 7.142 1.00 2.00 C ATOM 252 C SER A 17 -22.784 -0.106 6.146 1.00 1.45 C ATOM 253 O SER A 17 -23.452 0.887 5.845 1.00 1.99 O ATOM 254 CB SER A 17 -22.209 -1.492 8.159 1.00 2.29 C ATOM 255 OG SER A 17 -21.977 -0.432 9.074 1.00 2.91 O ATOM 0 H SER A 17 -23.271 -2.424 5.507 1.00 2.48 H new ATOM 0 HA SER A 17 -24.145 -0.719 7.694 1.00 2.00 H new ATOM 0 HB2 SER A 17 -22.501 -2.388 8.706 1.00 2.29 H new ATOM 0 HB3 SER A 17 -21.284 -1.728 7.632 1.00 2.29 H new ATOM 0 HG SER A 17 -21.278 -0.695 9.708 1.00 2.91 H new ATOM 261 N THR A 18 -21.614 -0.397 5.601 1.00 1.04 N ATOM 262 CA THR A 18 -20.959 0.446 4.619 1.00 0.58 C ATOM 263 C THR A 18 -20.032 -0.407 3.776 1.00 0.63 C ATOM 264 O THR A 18 -19.459 -1.359 4.278 1.00 1.40 O ATOM 265 CB THR A 18 -20.142 1.555 5.285 1.00 0.91 C ATOM 266 OG1 THR A 18 -19.435 1.028 6.417 1.00 1.44 O ATOM 267 CG2 THR A 18 -21.021 2.715 5.710 1.00 1.26 C ATOM 0 H THR A 18 -21.086 -1.238 5.833 1.00 1.04 H new ATOM 0 HA THR A 18 -21.728 0.911 4.002 1.00 0.58 H new ATOM 0 HB THR A 18 -19.426 1.932 4.554 1.00 0.91 H new ATOM 0 HG1 THR A 18 -19.334 1.729 7.095 1.00 1.44 H new ATOM 0 HG21 THR A 18 -20.407 3.484 6.179 1.00 1.26 H new ATOM 0 HG22 THR A 18 -21.520 3.133 4.836 1.00 1.26 H new ATOM 0 HG23 THR A 18 -21.769 2.364 6.421 1.00 1.26 H new ATOM 275 N THR A 19 -19.885 -0.089 2.507 1.00 0.61 N ATOM 276 CA THR A 19 -18.960 -0.829 1.659 1.00 0.56 C ATOM 277 C THR A 19 -18.171 0.136 0.788 1.00 0.64 C ATOM 278 O THR A 19 -17.631 -0.208 -0.265 1.00 1.25 O ATOM 279 CB THR A 19 -19.692 -1.867 0.790 1.00 0.63 C ATOM 280 OG1 THR A 19 -20.605 -2.624 1.600 1.00 0.66 O ATOM 281 CG2 THR A 19 -18.698 -2.813 0.139 1.00 0.66 C ATOM 0 H THR A 19 -20.385 0.667 2.039 1.00 0.61 H new ATOM 0 HA THR A 19 -18.272 -1.374 2.305 1.00 0.56 H new ATOM 0 HB THR A 19 -20.242 -1.338 0.011 1.00 0.63 H new ATOM 0 HG1 THR A 19 -21.420 -2.810 1.088 1.00 0.66 H new ATOM 0 HG21 THR A 19 -19.234 -3.540 -0.471 1.00 0.66 H new ATOM 0 HG22 THR A 19 -18.013 -2.245 -0.491 1.00 0.66 H new ATOM 0 HG23 THR A 19 -18.132 -3.334 0.911 1.00 0.66 H new ATOM 289 N ALA A 20 -18.127 1.353 1.273 1.00 0.26 N ATOM 290 CA ALA A 20 -17.375 2.433 0.661 1.00 0.22 C ATOM 291 C ALA A 20 -17.956 2.836 -0.673 1.00 0.24 C ATOM 292 O ALA A 20 -18.976 2.318 -1.126 1.00 0.39 O ATOM 293 CB ALA A 20 -15.929 2.058 0.494 1.00 0.31 C ATOM 0 H ALA A 20 -18.621 1.631 2.121 1.00 0.26 H new ATOM 0 HA ALA A 20 -17.444 3.287 1.335 1.00 0.22 H new ATOM 0 HB1 ALA A 20 -15.389 2.885 0.033 1.00 0.31 H new ATOM 0 HB2 ALA A 20 -15.495 1.840 1.470 1.00 0.31 H new ATOM 0 HB3 ALA A 20 -15.853 1.176 -0.142 1.00 0.31 H new ATOM 299 N ASN A 21 -17.273 3.763 -1.289 1.00 0.23 N ATOM 300 CA ASN A 21 -17.686 4.354 -2.533 1.00 0.24 C ATOM 301 C ASN A 21 -16.569 4.152 -3.518 1.00 0.25 C ATOM 302 O ASN A 21 -15.434 3.996 -3.114 1.00 0.26 O ATOM 303 CB ASN A 21 -17.920 5.839 -2.289 1.00 0.27 C ATOM 304 CG ASN A 21 -19.000 6.067 -1.241 1.00 0.35 C ATOM 305 OD1 ASN A 21 -20.151 6.346 -1.574 1.00 0.43 O ATOM 306 ND2 ASN A 21 -18.644 5.909 0.035 1.00 0.35 N ATOM 0 H ASN A 21 -16.394 4.137 -0.931 1.00 0.23 H new ATOM 0 HA ASN A 21 -18.601 3.906 -2.919 1.00 0.24 H new ATOM 0 HB2 ASN A 21 -16.991 6.306 -1.963 1.00 0.27 H new ATOM 0 HB3 ASN A 21 -18.209 6.321 -3.223 1.00 0.27 H new ATOM 0 HD21 ASN A 21 -19.337 6.019 0.775 1.00 0.35 H new ATOM 0 HD22 ASN A 21 -17.679 5.678 0.270 1.00 0.35 H new ATOM 313 N GLN A 22 -16.855 4.144 -4.798 1.00 0.34 N ATOM 314 CA GLN A 22 -15.794 3.973 -5.776 1.00 0.40 C ATOM 315 C GLN A 22 -15.011 5.256 -5.948 1.00 0.42 C ATOM 316 O GLN A 22 -13.941 5.263 -6.536 1.00 0.48 O ATOM 317 CB GLN A 22 -16.341 3.499 -7.112 1.00 0.51 C ATOM 318 CG GLN A 22 -16.230 2.001 -7.321 1.00 0.51 C ATOM 319 CD GLN A 22 -16.639 1.230 -6.095 1.00 0.58 C ATOM 320 OE1 GLN A 22 -15.696 1.061 -5.192 1.00 1.00 O flip ATOM 321 NE2 GLN A 22 -17.791 0.821 -5.947 1.00 0.38 N flip ATOM 0 H GLN A 22 -17.792 4.251 -5.187 1.00 0.34 H new ATOM 0 HA GLN A 22 -15.120 3.203 -5.399 1.00 0.40 H new ATOM 0 HB2 GLN A 22 -17.388 3.791 -7.190 1.00 0.51 H new ATOM 0 HB3 GLN A 22 -15.808 4.009 -7.914 1.00 0.51 H new ATOM 0 HG2 GLN A 22 -16.857 1.705 -8.162 1.00 0.51 H new ATOM 0 HG3 GLN A 22 -15.203 1.746 -7.584 1.00 0.51 H new ATOM 0 HE21 GLN A 22 -18.486 0.978 -6.677 1.00 0.38 H new ATOM 0 HE22 GLN A 22 -18.051 0.326 -5.094 1.00 0.38 H new ATOM 330 N SER A 23 -15.533 6.335 -5.410 1.00 0.41 N ATOM 331 CA SER A 23 -14.787 7.561 -5.348 1.00 0.47 C ATOM 332 C SER A 23 -13.867 7.502 -4.147 1.00 0.41 C ATOM 333 O SER A 23 -12.959 8.315 -3.988 1.00 0.49 O ATOM 334 CB SER A 23 -15.729 8.762 -5.277 1.00 0.52 C ATOM 335 OG SER A 23 -16.616 8.765 -6.383 1.00 1.36 O ATOM 0 H SER A 23 -16.470 6.384 -5.011 1.00 0.41 H new ATOM 0 HA SER A 23 -14.188 7.682 -6.251 1.00 0.47 H new ATOM 0 HB2 SER A 23 -16.298 8.731 -4.348 1.00 0.52 H new ATOM 0 HB3 SER A 23 -15.150 9.685 -5.266 1.00 0.52 H new ATOM 0 HG SER A 23 -17.213 9.539 -6.321 1.00 1.36 H new ATOM 341 N ASP A 24 -14.110 6.501 -3.320 1.00 0.31 N ATOM 342 CA ASP A 24 -13.282 6.220 -2.187 1.00 0.34 C ATOM 343 C ASP A 24 -12.312 5.121 -2.539 1.00 0.35 C ATOM 344 O ASP A 24 -11.113 5.196 -2.290 1.00 0.53 O ATOM 345 CB ASP A 24 -14.130 5.748 -1.023 1.00 0.36 C ATOM 346 CG ASP A 24 -15.085 6.798 -0.504 1.00 0.86 C ATOM 347 OD1 ASP A 24 -16.108 6.418 0.091 1.00 1.27 O ATOM 348 OD2 ASP A 24 -14.817 8.004 -0.674 1.00 1.09 O1- ATOM 0 H ASP A 24 -14.897 5.861 -3.427 1.00 0.31 H new ATOM 0 HA ASP A 24 -12.749 7.130 -1.910 1.00 0.34 H new ATOM 0 HB2 ASP A 24 -14.700 4.872 -1.332 1.00 0.36 H new ATOM 0 HB3 ASP A 24 -13.474 5.432 -0.211 1.00 0.36 H new ATOM 353 N VAL A 25 -12.879 4.112 -3.164 1.00 0.22 N ATOM 354 CA VAL A 25 -12.230 2.845 -3.361 1.00 0.20 C ATOM 355 C VAL A 25 -11.359 2.826 -4.603 1.00 0.22 C ATOM 356 O VAL A 25 -10.202 2.438 -4.543 1.00 0.23 O ATOM 357 CB VAL A 25 -13.279 1.715 -3.441 1.00 0.30 C ATOM 358 CG1 VAL A 25 -12.672 0.422 -3.951 1.00 1.01 C ATOM 359 CG2 VAL A 25 -13.933 1.494 -2.093 1.00 0.85 C ATOM 0 H VAL A 25 -13.820 4.155 -3.554 1.00 0.22 H new ATOM 0 HA VAL A 25 -11.578 2.684 -2.502 1.00 0.20 H new ATOM 0 HB VAL A 25 -14.042 2.029 -4.154 1.00 0.30 H new ATOM 0 HG11 VAL A 25 -13.441 -0.349 -3.993 1.00 1.01 H new ATOM 0 HG12 VAL A 25 -12.262 0.581 -4.948 1.00 1.01 H new ATOM 0 HG13 VAL A 25 -11.876 0.104 -3.278 1.00 1.01 H new ATOM 0 HG21 VAL A 25 -14.669 0.694 -2.172 1.00 0.85 H new ATOM 0 HG22 VAL A 25 -13.174 1.218 -1.361 1.00 0.85 H new ATOM 0 HG23 VAL A 25 -14.428 2.411 -1.774 1.00 0.85 H new ATOM 369 N ASP A 26 -11.925 3.247 -5.715 1.00 0.25 N ATOM 370 CA ASP A 26 -11.255 3.155 -7.008 1.00 0.27 C ATOM 371 C ASP A 26 -9.898 3.857 -7.005 1.00 0.23 C ATOM 372 O ASP A 26 -8.892 3.245 -7.325 1.00 0.22 O ATOM 373 CB ASP A 26 -12.140 3.716 -8.122 1.00 0.32 C ATOM 374 CG ASP A 26 -11.408 3.868 -9.439 1.00 0.39 C ATOM 375 OD1 ASP A 26 -10.949 2.849 -9.995 1.00 0.51 O ATOM 376 OD2 ASP A 26 -11.317 5.010 -9.934 1.00 0.46 O1- ATOM 0 H ASP A 26 -12.856 3.661 -5.755 1.00 0.25 H new ATOM 0 HA ASP A 26 -11.077 2.097 -7.198 1.00 0.27 H new ATOM 0 HB2 ASP A 26 -12.998 3.058 -8.263 1.00 0.32 H new ATOM 0 HB3 ASP A 26 -12.530 4.687 -7.815 1.00 0.32 H new ATOM 381 N ASP A 27 -9.871 5.127 -6.619 1.00 0.22 N ATOM 382 CA ASP A 27 -8.623 5.892 -6.572 1.00 0.21 C ATOM 383 C ASP A 27 -7.700 5.291 -5.553 1.00 0.16 C ATOM 384 O ASP A 27 -6.491 5.239 -5.759 1.00 0.16 O ATOM 385 CB ASP A 27 -8.849 7.358 -6.194 1.00 0.24 C ATOM 386 CG ASP A 27 -9.425 8.192 -7.314 1.00 0.29 C ATOM 387 OD1 ASP A 27 -10.651 8.428 -7.311 1.00 0.42 O ATOM 388 OD2 ASP A 27 -8.654 8.635 -8.188 1.00 0.45 O1- ATOM 0 H ASP A 27 -10.697 5.652 -6.333 1.00 0.22 H new ATOM 0 HA ASP A 27 -8.192 5.853 -7.573 1.00 0.21 H new ATOM 0 HB2 ASP A 27 -9.520 7.404 -5.337 1.00 0.24 H new ATOM 0 HB3 ASP A 27 -7.900 7.793 -5.880 1.00 0.24 H new ATOM 393 N PHE A 28 -8.284 4.842 -4.450 1.00 0.13 N ATOM 394 CA PHE A 28 -7.530 4.149 -3.432 1.00 0.10 C ATOM 395 C PHE A 28 -6.803 3.014 -4.085 1.00 0.10 C ATOM 396 O PHE A 28 -5.593 3.007 -4.186 1.00 0.09 O ATOM 397 CB PHE A 28 -8.430 3.576 -2.333 1.00 0.09 C ATOM 398 CG PHE A 28 -7.671 2.719 -1.378 1.00 0.08 C ATOM 399 CD1 PHE A 28 -6.974 3.296 -0.345 1.00 0.08 C ATOM 400 CD2 PHE A 28 -7.626 1.348 -1.530 1.00 0.08 C ATOM 401 CE1 PHE A 28 -6.240 2.529 0.519 1.00 0.11 C ATOM 402 CE2 PHE A 28 -6.896 0.576 -0.669 1.00 0.10 C ATOM 403 CZ PHE A 28 -6.195 1.158 0.355 1.00 0.08 C ATOM 0 H PHE A 28 -9.277 4.949 -4.244 1.00 0.13 H new ATOM 0 HA PHE A 28 -6.847 4.862 -2.969 1.00 0.10 H new ATOM 0 HB2 PHE A 28 -8.903 4.394 -1.789 1.00 0.09 H new ATOM 0 HB3 PHE A 28 -9.230 2.991 -2.788 1.00 0.09 H new ATOM 0 HD1 PHE A 28 -7.005 4.367 -0.213 1.00 0.08 H new ATOM 0 HD2 PHE A 28 -8.172 0.881 -2.336 1.00 0.08 H new ATOM 0 HE1 PHE A 28 -5.697 2.995 1.328 1.00 0.11 H new ATOM 0 HE2 PHE A 28 -6.872 -0.496 -0.796 1.00 0.10 H new ATOM 0 HZ PHE A 28 -5.611 0.549 1.029 1.00 0.08 H new ATOM 413 N ASN A 29 -7.602 2.110 -4.596 1.00 0.12 N ATOM 414 CA ASN A 29 -7.136 0.877 -5.212 1.00 0.13 C ATOM 415 C ASN A 29 -6.203 1.155 -6.348 1.00 0.13 C ATOM 416 O ASN A 29 -5.274 0.402 -6.603 1.00 0.14 O ATOM 417 CB ASN A 29 -8.347 0.104 -5.746 1.00 0.19 C ATOM 418 CG ASN A 29 -9.015 -0.757 -4.714 1.00 0.23 C ATOM 419 OD1 ASN A 29 -8.905 -1.980 -4.739 1.00 0.30 O ATOM 420 ND2 ASN A 29 -9.695 -0.124 -3.786 1.00 0.23 N ATOM 0 H ASN A 29 -8.617 2.206 -4.599 1.00 0.12 H new ATOM 0 HA ASN A 29 -6.601 0.296 -4.460 1.00 0.13 H new ATOM 0 HB2 ASN A 29 -9.074 0.813 -6.141 1.00 0.19 H new ATOM 0 HB3 ASN A 29 -8.028 -0.523 -6.579 1.00 0.19 H new ATOM 0 HD21 ASN A 29 -10.159 -0.650 -3.046 1.00 0.23 H new ATOM 0 HD22 ASN A 29 -9.759 0.894 -3.806 1.00 0.23 H new ATOM 427 N THR A 30 -6.445 2.245 -7.008 1.00 0.13 N ATOM 428 CA THR A 30 -5.724 2.565 -8.189 1.00 0.14 C ATOM 429 C THR A 30 -4.364 3.123 -7.862 1.00 0.12 C ATOM 430 O THR A 30 -3.354 2.691 -8.416 1.00 0.12 O ATOM 431 CB THR A 30 -6.505 3.572 -9.016 1.00 0.17 C ATOM 432 OG1 THR A 30 -7.648 2.946 -9.612 1.00 0.20 O ATOM 433 CG2 THR A 30 -5.628 4.189 -10.074 1.00 0.17 C ATOM 0 H THR A 30 -7.148 2.934 -6.739 1.00 0.13 H new ATOM 0 HA THR A 30 -5.589 1.647 -8.762 1.00 0.14 H new ATOM 0 HB THR A 30 -6.849 4.367 -8.355 1.00 0.17 H new ATOM 0 HG1 THR A 30 -8.430 3.077 -9.036 1.00 0.20 H new ATOM 0 HG21 THR A 30 -6.208 4.907 -10.654 1.00 0.17 H new ATOM 0 HG22 THR A 30 -4.789 4.699 -9.600 1.00 0.17 H new ATOM 0 HG23 THR A 30 -5.251 3.408 -10.735 1.00 0.17 H new ATOM 441 N LEU A 31 -4.342 4.065 -6.944 1.00 0.12 N ATOM 442 CA LEU A 31 -3.118 4.682 -6.536 1.00 0.12 C ATOM 443 C LEU A 31 -2.322 3.650 -5.786 1.00 0.11 C ATOM 444 O LEU A 31 -1.112 3.604 -5.854 1.00 0.12 O ATOM 445 CB LEU A 31 -3.433 5.887 -5.662 1.00 0.14 C ATOM 446 CG LEU A 31 -2.262 6.829 -5.404 1.00 0.17 C ATOM 447 CD1 LEU A 31 -1.541 7.158 -6.703 1.00 0.40 C ATOM 448 CD2 LEU A 31 -2.765 8.098 -4.751 1.00 0.53 C ATOM 0 H LEU A 31 -5.172 4.417 -6.467 1.00 0.12 H new ATOM 0 HA LEU A 31 -2.540 5.035 -7.390 1.00 0.12 H new ATOM 0 HB2 LEU A 31 -4.238 6.454 -6.130 1.00 0.14 H new ATOM 0 HB3 LEU A 31 -3.810 5.531 -4.703 1.00 0.14 H new ATOM 0 HG LEU A 31 -1.555 6.336 -4.737 1.00 0.17 H new ATOM 0 HD11 LEU A 31 -0.709 7.831 -6.497 1.00 0.40 H new ATOM 0 HD12 LEU A 31 -1.162 6.240 -7.152 1.00 0.40 H new ATOM 0 HD13 LEU A 31 -2.235 7.639 -7.392 1.00 0.40 H new ATOM 0 HD21 LEU A 31 -1.926 8.770 -4.567 1.00 0.53 H new ATOM 0 HD22 LEU A 31 -3.484 8.586 -5.410 1.00 0.53 H new ATOM 0 HD23 LEU A 31 -3.248 7.854 -3.805 1.00 0.53 H new ATOM 460 N TYR A 32 -3.066 2.784 -5.143 1.00 0.09 N ATOM 461 CA TYR A 32 -2.550 1.657 -4.397 1.00 0.07 C ATOM 462 C TYR A 32 -1.872 0.667 -5.320 1.00 0.08 C ATOM 463 O TYR A 32 -0.747 0.241 -5.078 1.00 0.08 O ATOM 464 CB TYR A 32 -3.746 1.035 -3.731 1.00 0.07 C ATOM 465 CG TYR A 32 -3.546 -0.310 -3.121 1.00 0.06 C ATOM 466 CD1 TYR A 32 -3.093 -0.448 -1.827 1.00 0.06 C ATOM 467 CD2 TYR A 32 -3.869 -1.442 -3.838 1.00 0.08 C ATOM 468 CE1 TYR A 32 -2.961 -1.687 -1.254 1.00 0.09 C ATOM 469 CE2 TYR A 32 -3.735 -2.690 -3.281 1.00 0.10 C ATOM 470 CZ TYR A 32 -3.282 -2.810 -1.984 1.00 0.08 C ATOM 471 OH TYR A 32 -3.163 -4.051 -1.410 1.00 0.15 O ATOM 0 H TYR A 32 -4.084 2.845 -5.123 1.00 0.09 H new ATOM 0 HA TYR A 32 -1.799 1.965 -3.669 1.00 0.07 H new ATOM 0 HB2 TYR A 32 -4.094 1.714 -2.952 1.00 0.07 H new ATOM 0 HB3 TYR A 32 -4.545 0.959 -4.468 1.00 0.07 H new ATOM 0 HD1 TYR A 32 -2.838 0.432 -1.256 1.00 0.06 H new ATOM 0 HD2 TYR A 32 -4.232 -1.346 -4.851 1.00 0.08 H new ATOM 0 HE1 TYR A 32 -2.608 -1.781 -0.238 1.00 0.09 H new ATOM 0 HE2 TYR A 32 -3.983 -3.571 -3.854 1.00 0.10 H new ATOM 0 HH TYR A 32 -3.429 -4.737 -2.057 1.00 0.15 H new ATOM 481 N ASP A 33 -2.570 0.329 -6.394 1.00 0.10 N ATOM 482 CA ASP A 33 -2.042 -0.561 -7.416 1.00 0.11 C ATOM 483 C ASP A 33 -0.847 0.088 -8.054 1.00 0.09 C ATOM 484 O ASP A 33 0.056 -0.559 -8.579 1.00 0.11 O ATOM 485 CB ASP A 33 -3.078 -0.828 -8.503 1.00 0.16 C ATOM 486 CG ASP A 33 -3.796 -2.153 -8.320 1.00 0.31 C ATOM 487 OD1 ASP A 33 -4.654 -2.247 -7.419 1.00 0.42 O ATOM 488 OD2 ASP A 33 -3.516 -3.107 -9.078 1.00 0.52 O1- ATOM 0 H ASP A 33 -3.515 0.663 -6.581 1.00 0.10 H new ATOM 0 HA ASP A 33 -1.774 -1.506 -6.943 1.00 0.11 H new ATOM 0 HB2 ASP A 33 -3.810 -0.021 -8.506 1.00 0.16 H new ATOM 0 HB3 ASP A 33 -2.587 -0.817 -9.476 1.00 0.16 H new ATOM 493 N ALA A 34 -0.887 1.394 -7.982 1.00 0.08 N ATOM 494 CA ALA A 34 0.088 2.250 -8.601 1.00 0.09 C ATOM 495 C ALA A 34 1.404 2.231 -7.852 1.00 0.08 C ATOM 496 O ALA A 34 2.459 2.367 -8.454 1.00 0.09 O ATOM 497 CB ALA A 34 -0.453 3.644 -8.641 1.00 0.10 C ATOM 0 H ALA A 34 -1.615 1.901 -7.480 1.00 0.08 H new ATOM 0 HA ALA A 34 0.280 1.886 -9.610 1.00 0.09 H new ATOM 0 HB1 ALA A 34 0.277 4.304 -9.109 1.00 0.10 H new ATOM 0 HB2 ALA A 34 -1.378 3.659 -9.218 1.00 0.10 H new ATOM 0 HB3 ALA A 34 -0.653 3.986 -7.626 1.00 0.10 H new ATOM 503 N PHE A 35 1.337 2.068 -6.531 1.00 0.06 N ATOM 504 CA PHE A 35 2.540 1.963 -5.718 1.00 0.06 C ATOM 505 C PHE A 35 3.302 0.745 -6.116 1.00 0.06 C ATOM 506 O PHE A 35 4.464 0.600 -5.808 1.00 0.08 O ATOM 507 CB PHE A 35 2.208 1.802 -4.258 1.00 0.05 C ATOM 508 CG PHE A 35 1.783 3.041 -3.582 1.00 0.05 C ATOM 509 CD1 PHE A 35 2.641 3.713 -2.739 1.00 0.05 C ATOM 510 CD2 PHE A 35 0.522 3.526 -3.786 1.00 0.06 C ATOM 511 CE1 PHE A 35 2.236 4.864 -2.115 1.00 0.06 C ATOM 512 CE2 PHE A 35 0.103 4.677 -3.171 1.00 0.06 C ATOM 513 CZ PHE A 35 0.965 5.351 -2.334 1.00 0.06 C ATOM 0 H PHE A 35 0.465 2.006 -6.006 1.00 0.06 H new ATOM 0 HA PHE A 35 3.114 2.876 -5.872 1.00 0.06 H new ATOM 0 HB2 PHE A 35 1.415 1.060 -4.159 1.00 0.05 H new ATOM 0 HB3 PHE A 35 3.082 1.405 -3.742 1.00 0.05 H new ATOM 0 HD1 PHE A 35 3.637 3.331 -2.569 1.00 0.05 H new ATOM 0 HD2 PHE A 35 -0.154 2.995 -4.441 1.00 0.06 H new ATOM 0 HE1 PHE A 35 2.910 5.388 -1.454 1.00 0.06 H new ATOM 0 HE2 PHE A 35 -0.895 5.053 -3.341 1.00 0.06 H new ATOM 0 HZ PHE A 35 0.645 6.261 -1.849 1.00 0.06 H new ATOM 523 N TYR A 36 2.608 -0.154 -6.746 1.00 0.06 N ATOM 524 CA TYR A 36 3.204 -1.368 -7.198 1.00 0.06 C ATOM 525 C TYR A 36 3.622 -1.231 -8.632 1.00 0.08 C ATOM 526 O TYR A 36 2.854 -0.817 -9.502 1.00 0.11 O ATOM 527 CB TYR A 36 2.246 -2.530 -7.038 1.00 0.07 C ATOM 528 CG TYR A 36 1.800 -2.770 -5.623 1.00 0.06 C ATOM 529 CD1 TYR A 36 2.656 -3.348 -4.705 1.00 0.07 C ATOM 530 CD2 TYR A 36 0.516 -2.450 -5.218 1.00 0.07 C ATOM 531 CE1 TYR A 36 2.241 -3.606 -3.415 1.00 0.09 C ATOM 532 CE2 TYR A 36 0.092 -2.695 -3.931 1.00 0.08 C ATOM 533 CZ TYR A 36 0.954 -3.277 -3.033 1.00 0.07 C ATOM 534 OH TYR A 36 0.529 -3.537 -1.751 1.00 0.11 O ATOM 0 H TYR A 36 1.615 -0.064 -6.959 1.00 0.06 H new ATOM 0 HA TYR A 36 4.085 -1.568 -6.589 1.00 0.06 H new ATOM 0 HB2 TYR A 36 1.368 -2.351 -7.658 1.00 0.07 H new ATOM 0 HB3 TYR A 36 2.723 -3.434 -7.415 1.00 0.07 H new ATOM 0 HD1 TYR A 36 3.663 -3.601 -5.001 1.00 0.07 H new ATOM 0 HD2 TYR A 36 -0.166 -2.000 -5.924 1.00 0.07 H new ATOM 0 HE1 TYR A 36 2.918 -4.062 -2.708 1.00 0.09 H new ATOM 0 HE2 TYR A 36 -0.911 -2.432 -3.630 1.00 0.08 H new ATOM 0 HH TYR A 36 -0.400 -3.243 -1.648 1.00 0.11 H new ATOM 544 N THR A 37 4.864 -1.562 -8.848 1.00 0.08 N ATOM 545 CA THR A 37 5.460 -1.517 -10.178 1.00 0.11 C ATOM 546 C THR A 37 4.778 -2.527 -11.095 1.00 0.14 C ATOM 547 O THR A 37 4.763 -2.377 -12.317 1.00 0.17 O ATOM 548 CB THR A 37 6.969 -1.826 -10.137 1.00 0.12 C ATOM 549 OG1 THR A 37 7.179 -3.239 -10.070 1.00 0.14 O ATOM 550 CG2 THR A 37 7.592 -1.197 -8.925 1.00 0.11 C ATOM 0 H THR A 37 5.502 -1.872 -8.115 1.00 0.08 H new ATOM 0 HA THR A 37 5.320 -0.506 -10.560 1.00 0.11 H new ATOM 0 HB THR A 37 7.425 -1.423 -11.041 1.00 0.12 H new ATOM 0 HG1 THR A 37 8.141 -3.426 -10.046 1.00 0.14 H new ATOM 0 HG21 THR A 37 8.658 -1.422 -8.906 1.00 0.11 H new ATOM 0 HG22 THR A 37 7.449 -0.117 -8.962 1.00 0.11 H new ATOM 0 HG23 THR A 37 7.121 -1.595 -8.026 1.00 0.11 H new ATOM 558 N ASN A 38 4.203 -3.545 -10.476 1.00 0.15 N ATOM 559 CA ASN A 38 3.559 -4.637 -11.177 1.00 0.26 C ATOM 560 C ASN A 38 2.287 -4.988 -10.429 1.00 0.29 C ATOM 561 O ASN A 38 2.262 -4.916 -9.203 1.00 0.71 O ATOM 562 CB ASN A 38 4.510 -5.843 -11.225 1.00 0.38 C ATOM 563 CG ASN A 38 3.902 -7.066 -11.886 1.00 0.65 C ATOM 564 OD1 ASN A 38 3.039 -6.955 -12.756 1.00 1.52 O ATOM 565 ND2 ASN A 38 4.341 -8.246 -11.470 1.00 0.99 N ATOM 0 H ASN A 38 4.171 -3.635 -9.460 1.00 0.15 H new ATOM 0 HA ASN A 38 3.316 -4.353 -12.201 1.00 0.26 H new ATOM 0 HB2 ASN A 38 5.415 -5.561 -11.763 1.00 0.38 H new ATOM 0 HB3 ASN A 38 4.810 -6.100 -10.209 1.00 0.38 H new ATOM 0 HD21 ASN A 38 3.962 -9.102 -11.874 1.00 0.99 H new ATOM 0 HD22 ASN A 38 5.058 -8.297 -10.746 1.00 0.99 H new ATOM 572 N SER A 39 1.236 -5.358 -11.150 1.00 0.33 N ATOM 573 CA SER A 39 -0.053 -5.636 -10.527 1.00 0.28 C ATOM 574 C SER A 39 -0.009 -6.894 -9.669 1.00 0.22 C ATOM 575 O SER A 39 -0.973 -7.211 -8.975 1.00 0.24 O ATOM 576 CB SER A 39 -1.143 -5.763 -11.577 1.00 0.35 C ATOM 577 OG SER A 39 -0.686 -6.497 -12.703 1.00 0.36 O ATOM 0 H SER A 39 1.250 -5.472 -12.163 1.00 0.33 H new ATOM 0 HA SER A 39 -0.282 -4.793 -9.875 1.00 0.28 H new ATOM 0 HB2 SER A 39 -2.012 -6.258 -11.145 1.00 0.35 H new ATOM 0 HB3 SER A 39 -1.466 -4.771 -11.892 1.00 0.35 H new ATOM 0 HG SER A 39 -1.407 -6.566 -13.363 1.00 0.36 H new ATOM 583 N ASN A 40 1.103 -7.621 -9.730 1.00 0.20 N ATOM 584 CA ASN A 40 1.339 -8.718 -8.798 1.00 0.20 C ATOM 585 C ASN A 40 1.606 -8.159 -7.415 1.00 0.16 C ATOM 586 O ASN A 40 1.518 -8.863 -6.408 1.00 0.18 O ATOM 587 CB ASN A 40 2.511 -9.588 -9.237 1.00 0.26 C ATOM 588 CG ASN A 40 2.185 -10.463 -10.429 1.00 0.43 C ATOM 589 OD1 ASN A 40 1.334 -10.126 -11.252 1.00 1.09 O ATOM 590 ND2 ASN A 40 2.869 -11.589 -10.537 1.00 1.15 N ATOM 0 H ASN A 40 1.849 -7.472 -10.409 1.00 0.20 H new ATOM 0 HA ASN A 40 0.447 -9.344 -8.782 1.00 0.20 H new ATOM 0 HB2 ASN A 40 3.359 -8.949 -9.484 1.00 0.26 H new ATOM 0 HB3 ASN A 40 2.820 -10.219 -8.404 1.00 0.26 H new ATOM 0 HD21 ASN A 40 2.700 -12.215 -11.324 1.00 1.15 H new ATOM 0 HD22 ASN A 40 3.566 -11.832 -9.833 1.00 1.15 H new ATOM 597 N LYS A 41 1.914 -6.853 -7.398 1.00 0.13 N ATOM 598 CA LYS A 41 2.123 -6.102 -6.182 1.00 0.11 C ATOM 599 C LYS A 41 3.208 -6.738 -5.355 1.00 0.11 C ATOM 600 O LYS A 41 3.131 -6.846 -4.135 1.00 0.12 O ATOM 601 CB LYS A 41 0.791 -5.968 -5.490 1.00 0.11 C ATOM 602 CG LYS A 41 -0.255 -5.501 -6.472 1.00 0.13 C ATOM 603 CD LYS A 41 -1.630 -5.703 -5.936 1.00 0.17 C ATOM 604 CE LYS A 41 -2.325 -4.391 -5.793 1.00 0.20 C ATOM 605 NZ LYS A 41 -3.800 -4.555 -5.690 1.00 0.66 N1+ ATOM 0 H LYS A 41 2.023 -6.296 -8.246 1.00 0.13 H new ATOM 0 HA LYS A 41 2.487 -5.094 -6.379 1.00 0.11 H new ATOM 0 HB2 LYS A 41 0.497 -6.926 -5.061 1.00 0.11 H new ATOM 0 HB3 LYS A 41 0.870 -5.260 -4.665 1.00 0.11 H new ATOM 0 HG2 LYS A 41 -0.101 -4.445 -6.696 1.00 0.13 H new ATOM 0 HG3 LYS A 41 -0.145 -6.045 -7.410 1.00 0.13 H new ATOM 0 HD2 LYS A 41 -2.197 -6.352 -6.604 1.00 0.17 H new ATOM 0 HD3 LYS A 41 -1.581 -6.204 -4.969 1.00 0.17 H new ATOM 0 HE2 LYS A 41 -1.954 -3.878 -4.906 1.00 0.20 H new ATOM 0 HE3 LYS A 41 -2.089 -3.759 -6.649 1.00 0.20 H new ATOM 0 HZ1 LYS A 41 -4.229 -3.656 -5.391 1.00 0.66 H new ATOM 0 HZ2 LYS A 41 -4.184 -4.831 -6.616 1.00 0.66 H new ATOM 0 HZ3 LYS A 41 -4.019 -5.293 -4.991 1.00 0.66 H new ATOM 619 N THR A 42 4.239 -7.118 -6.087 1.00 0.11 N ATOM 620 CA THR A 42 5.407 -7.769 -5.556 1.00 0.12 C ATOM 621 C THR A 42 6.588 -6.814 -5.582 1.00 0.10 C ATOM 622 O THR A 42 7.712 -7.162 -5.220 1.00 0.13 O ATOM 623 CB THR A 42 5.708 -8.996 -6.411 1.00 0.16 C ATOM 624 OG1 THR A 42 5.775 -8.613 -7.792 1.00 0.18 O ATOM 625 CG2 THR A 42 4.607 -10.013 -6.225 1.00 0.21 C ATOM 0 H THR A 42 4.281 -6.975 -7.096 1.00 0.11 H new ATOM 0 HA THR A 42 5.229 -8.071 -4.524 1.00 0.12 H new ATOM 0 HB THR A 42 6.662 -9.428 -6.108 1.00 0.16 H new ATOM 0 HG1 THR A 42 5.970 -9.401 -8.341 1.00 0.18 H new ATOM 0 HG21 THR A 42 4.817 -10.892 -6.834 1.00 0.21 H new ATOM 0 HG22 THR A 42 4.553 -10.303 -5.176 1.00 0.21 H new ATOM 0 HG23 THR A 42 3.655 -9.579 -6.531 1.00 0.21 H new ATOM 633 N ALA A 43 6.300 -5.592 -5.997 1.00 0.09 N ATOM 634 CA ALA A 43 7.312 -4.579 -6.204 1.00 0.09 C ATOM 635 C ALA A 43 6.661 -3.215 -6.169 1.00 0.07 C ATOM 636 O ALA A 43 5.492 -3.078 -6.516 1.00 0.09 O ATOM 637 CB ALA A 43 8.003 -4.806 -7.528 1.00 0.10 C ATOM 0 H ALA A 43 5.351 -5.277 -6.200 1.00 0.09 H new ATOM 0 HA ALA A 43 8.060 -4.637 -5.414 1.00 0.09 H new ATOM 0 HB1 ALA A 43 8.764 -4.040 -7.677 1.00 0.10 H new ATOM 0 HB2 ALA A 43 8.473 -5.789 -7.529 1.00 0.10 H new ATOM 0 HB3 ALA A 43 7.271 -4.753 -8.334 1.00 0.10 H new ATOM 643 N LEU A 44 7.411 -2.215 -5.747 1.00 0.06 N ATOM 644 CA LEU A 44 6.852 -0.910 -5.497 1.00 0.06 C ATOM 645 C LEU A 44 7.579 0.241 -6.174 1.00 0.08 C ATOM 646 O LEU A 44 8.807 0.298 -6.231 1.00 0.09 O ATOM 647 CB LEU A 44 6.813 -0.696 -4.016 1.00 0.06 C ATOM 648 CG LEU A 44 5.808 -1.575 -3.324 1.00 0.04 C ATOM 649 CD1 LEU A 44 6.480 -2.470 -2.324 1.00 0.05 C ATOM 650 CD2 LEU A 44 4.824 -0.716 -2.637 1.00 0.05 C ATOM 0 H LEU A 44 8.413 -2.287 -5.571 1.00 0.06 H new ATOM 0 HA LEU A 44 5.855 -0.904 -5.937 1.00 0.06 H new ATOM 0 HB2 LEU A 44 7.802 -0.887 -3.600 1.00 0.06 H new ATOM 0 HB3 LEU A 44 6.577 0.348 -3.811 1.00 0.06 H new ATOM 0 HG LEU A 44 5.313 -2.203 -4.064 1.00 0.04 H new ATOM 0 HD11 LEU A 44 5.733 -3.096 -1.836 1.00 0.05 H new ATOM 0 HD12 LEU A 44 7.207 -3.102 -2.833 1.00 0.05 H new ATOM 0 HD13 LEU A 44 6.988 -1.862 -1.576 1.00 0.05 H new ATOM 0 HD21 LEU A 44 4.088 -1.340 -2.130 1.00 0.05 H new ATOM 0 HD22 LEU A 44 5.335 -0.090 -1.905 1.00 0.05 H new ATOM 0 HD23 LEU A 44 4.321 -0.082 -3.368 1.00 0.05 H new ATOM 662 N LYS A 45 6.759 1.149 -6.670 1.00 0.10 N ATOM 663 CA LYS A 45 7.168 2.361 -7.324 1.00 0.12 C ATOM 664 C LYS A 45 7.398 3.427 -6.292 1.00 0.12 C ATOM 665 O LYS A 45 6.496 3.787 -5.537 1.00 0.14 O ATOM 666 CB LYS A 45 6.058 2.828 -8.250 1.00 0.15 C ATOM 667 CG LYS A 45 6.084 2.239 -9.638 1.00 0.26 C ATOM 668 CD LYS A 45 4.697 2.231 -10.261 1.00 1.23 C ATOM 669 CE LYS A 45 4.711 1.824 -11.724 1.00 1.55 C ATOM 670 NZ LYS A 45 3.335 1.770 -12.291 1.00 1.95 N1+ ATOM 0 H LYS A 45 5.745 1.049 -6.622 1.00 0.10 H new ATOM 0 HA LYS A 45 8.082 2.177 -7.889 1.00 0.12 H new ATOM 0 HB2 LYS A 45 5.099 2.589 -7.790 1.00 0.15 H new ATOM 0 HB3 LYS A 45 6.110 3.914 -8.333 1.00 0.15 H new ATOM 0 HG2 LYS A 45 6.764 2.814 -10.267 1.00 0.26 H new ATOM 0 HG3 LYS A 45 6.472 1.221 -9.596 1.00 0.26 H new ATOM 0 HD2 LYS A 45 4.058 1.546 -9.704 1.00 1.23 H new ATOM 0 HD3 LYS A 45 4.257 3.224 -10.169 1.00 1.23 H new ATOM 0 HE2 LYS A 45 5.312 2.533 -12.294 1.00 1.55 H new ATOM 0 HE3 LYS A 45 5.186 0.848 -11.826 1.00 1.55 H new ATOM 0 HZ1 LYS A 45 3.382 1.489 -13.291 1.00 1.95 H new ATOM 0 HZ2 LYS A 45 2.769 1.076 -11.763 1.00 1.95 H new ATOM 0 HZ3 LYS A 45 2.891 2.708 -12.216 1.00 1.95 H new ATOM 684 N ASN A 46 8.579 3.957 -6.298 1.00 0.15 N ATOM 685 CA ASN A 46 8.993 4.876 -5.256 1.00 0.15 C ATOM 686 C ASN A 46 8.382 6.256 -5.431 1.00 0.14 C ATOM 687 O ASN A 46 8.252 7.010 -4.467 1.00 0.17 O ATOM 688 CB ASN A 46 10.500 4.977 -5.183 1.00 0.22 C ATOM 689 CG ASN A 46 11.108 3.670 -4.801 1.00 0.62 C ATOM 690 OD1 ASN A 46 10.750 2.612 -5.320 1.00 1.78 O ATOM 691 ND2 ASN A 46 12.000 3.734 -3.849 1.00 0.54 N ATOM 0 H ASN A 46 9.285 3.776 -7.011 1.00 0.15 H new ATOM 0 HA ASN A 46 8.623 4.468 -4.315 1.00 0.15 H new ATOM 0 HB2 ASN A 46 10.893 5.296 -6.148 1.00 0.22 H new ATOM 0 HB3 ASN A 46 10.782 5.739 -4.456 1.00 0.22 H new ATOM 0 HD21 ASN A 46 12.436 2.880 -3.501 1.00 0.54 H new ATOM 0 HD22 ASN A 46 12.260 4.638 -3.454 1.00 0.54 H new ATOM 698 N SER A 47 7.992 6.586 -6.651 1.00 0.14 N ATOM 699 CA SER A 47 7.376 7.876 -6.918 1.00 0.16 C ATOM 700 C SER A 47 5.984 7.931 -6.288 1.00 0.13 C ATOM 701 O SER A 47 5.457 9.003 -5.991 1.00 0.17 O ATOM 702 CB SER A 47 7.298 8.124 -8.427 1.00 0.21 C ATOM 703 OG SER A 47 7.027 9.488 -8.706 1.00 1.32 O ATOM 0 H SER A 47 8.090 5.983 -7.468 1.00 0.14 H new ATOM 0 HA SER A 47 7.988 8.661 -6.474 1.00 0.16 H new ATOM 0 HB2 SER A 47 8.238 7.833 -8.896 1.00 0.21 H new ATOM 0 HB3 SER A 47 6.518 7.499 -8.862 1.00 0.21 H new ATOM 0 HG SER A 47 6.984 9.621 -9.676 1.00 1.32 H new ATOM 709 N GLN A 48 5.406 6.756 -6.065 1.00 0.10 N ATOM 710 CA GLN A 48 4.088 6.629 -5.482 1.00 0.10 C ATOM 711 C GLN A 48 4.125 6.849 -3.985 1.00 0.09 C ATOM 712 O GLN A 48 3.124 7.210 -3.393 1.00 0.10 O ATOM 713 CB GLN A 48 3.574 5.241 -5.793 1.00 0.13 C ATOM 714 CG GLN A 48 3.694 4.886 -7.267 1.00 0.15 C ATOM 715 CD GLN A 48 2.719 5.649 -8.146 1.00 0.27 C ATOM 716 OE1 GLN A 48 1.558 5.990 -7.606 1.00 0.82 O flip ATOM 717 NE2 GLN A 48 3.007 5.930 -9.308 1.00 0.49 N flip ATOM 0 H GLN A 48 5.847 5.863 -6.287 1.00 0.10 H new ATOM 0 HA GLN A 48 3.428 7.387 -5.903 1.00 0.10 H new ATOM 0 HB2 GLN A 48 4.128 4.512 -5.202 1.00 0.13 H new ATOM 0 HB3 GLN A 48 2.529 5.169 -5.490 1.00 0.13 H new ATOM 0 HG2 GLN A 48 4.711 5.090 -7.602 1.00 0.15 H new ATOM 0 HG3 GLN A 48 3.525 3.816 -7.392 1.00 0.15 H new ATOM 0 HE21 GLN A 48 3.910 5.652 -9.691 1.00 0.49 H new ATOM 0 HE22 GLN A 48 2.343 6.442 -9.889 1.00 0.49 H new ATOM 726 N PHE A 49 5.290 6.648 -3.384 1.00 0.09 N ATOM 727 CA PHE A 49 5.449 6.773 -1.937 1.00 0.09 C ATOM 728 C PHE A 49 4.979 8.132 -1.428 1.00 0.11 C ATOM 729 O PHE A 49 4.589 8.271 -0.270 1.00 0.13 O ATOM 730 CB PHE A 49 6.903 6.582 -1.522 1.00 0.09 C ATOM 731 CG PHE A 49 7.467 5.213 -1.749 1.00 0.08 C ATOM 732 CD1 PHE A 49 8.666 4.808 -1.190 1.00 0.10 C ATOM 733 CD2 PHE A 49 6.780 4.332 -2.550 1.00 0.09 C ATOM 734 CE1 PHE A 49 9.164 3.541 -1.440 1.00 0.13 C ATOM 735 CE2 PHE A 49 7.264 3.076 -2.799 1.00 0.11 C ATOM 736 CZ PHE A 49 8.561 2.689 -2.089 1.00 0.07 C ATOM 0 H PHE A 49 6.146 6.396 -3.878 1.00 0.09 H new ATOM 0 HA PHE A 49 4.831 5.991 -1.495 1.00 0.09 H new ATOM 0 HB2 PHE A 49 7.515 7.302 -2.066 1.00 0.09 H new ATOM 0 HB3 PHE A 49 6.994 6.822 -0.463 1.00 0.09 H new ATOM 0 HD1 PHE A 49 9.217 5.485 -0.554 1.00 0.10 H new ATOM 0 HD2 PHE A 49 5.842 4.636 -2.991 1.00 0.09 H new ATOM 0 HE1 PHE A 49 10.136 3.287 -1.043 1.00 0.13 H new ATOM 0 HE2 PHE A 49 6.755 2.393 -3.463 1.00 0.11 H new ATOM 0 HZ PHE A 49 8.942 1.681 -2.157 1.00 0.07 H new ATOM 746 N ASP A 50 5.013 9.127 -2.302 1.00 0.11 N ATOM 747 CA ASP A 50 4.612 10.480 -1.942 1.00 0.15 C ATOM 748 C ASP A 50 3.101 10.536 -1.783 1.00 0.15 C ATOM 749 O ASP A 50 2.553 11.383 -1.080 1.00 0.20 O ATOM 750 CB ASP A 50 5.069 11.457 -3.024 1.00 0.19 C ATOM 751 CG ASP A 50 4.897 12.905 -2.616 1.00 0.29 C ATOM 752 OD1 ASP A 50 4.100 13.617 -3.258 1.00 0.41 O ATOM 753 OD2 ASP A 50 5.564 13.337 -1.652 1.00 0.36 O1- ATOM 0 H ASP A 50 5.316 9.022 -3.270 1.00 0.11 H new ATOM 0 HA ASP A 50 5.078 10.761 -0.997 1.00 0.15 H new ATOM 0 HB2 ASP A 50 6.118 11.271 -3.255 1.00 0.19 H new ATOM 0 HB3 ASP A 50 4.503 11.272 -3.937 1.00 0.19 H new ATOM 758 N LYS A 51 2.453 9.580 -2.422 1.00 0.11 N ATOM 759 CA LYS A 51 1.009 9.447 -2.408 1.00 0.11 C ATOM 760 C LYS A 51 0.591 8.447 -1.361 1.00 0.10 C ATOM 761 O LYS A 51 -0.548 8.038 -1.329 1.00 0.11 O ATOM 762 CB LYS A 51 0.523 8.945 -3.749 1.00 0.13 C ATOM 763 CG LYS A 51 1.453 9.255 -4.884 1.00 0.14 C ATOM 764 CD LYS A 51 0.768 10.092 -5.917 1.00 0.49 C ATOM 765 CE LYS A 51 1.711 10.467 -7.042 1.00 0.45 C ATOM 766 NZ LYS A 51 1.060 11.334 -8.058 1.00 1.47 N1+ ATOM 0 H LYS A 51 2.923 8.863 -2.974 1.00 0.11 H new ATOM 0 HA LYS A 51 0.580 10.425 -2.190 1.00 0.11 H new ATOM 0 HB2 LYS A 51 0.380 7.866 -3.693 1.00 0.13 H new ATOM 0 HB3 LYS A 51 -0.452 9.385 -3.960 1.00 0.13 H new ATOM 0 HG2 LYS A 51 2.331 9.780 -4.508 1.00 0.14 H new ATOM 0 HG3 LYS A 51 1.805 8.328 -5.336 1.00 0.14 H new ATOM 0 HD2 LYS A 51 -0.085 9.547 -6.322 1.00 0.49 H new ATOM 0 HD3 LYS A 51 0.376 10.997 -5.452 1.00 0.49 H new ATOM 0 HE2 LYS A 51 2.578 10.983 -6.630 1.00 0.45 H new ATOM 0 HE3 LYS A 51 2.078 9.560 -7.523 1.00 0.45 H new ATOM 0 HZ1 LYS A 51 1.744 11.564 -8.807 1.00 1.47 H new ATOM 0 HZ2 LYS A 51 0.248 10.834 -8.472 1.00 1.47 H new ATOM 0 HZ3 LYS A 51 0.732 12.212 -7.607 1.00 1.47 H new ATOM 780 N LEU A 52 1.522 7.992 -0.552 1.00 0.09 N ATOM 781 CA LEU A 52 1.180 7.067 0.513 1.00 0.08 C ATOM 782 C LEU A 52 0.277 7.742 1.536 1.00 0.09 C ATOM 783 O LEU A 52 -0.679 7.142 2.022 1.00 0.09 O ATOM 784 CB LEU A 52 2.432 6.522 1.177 1.00 0.08 C ATOM 785 CG LEU A 52 2.298 5.135 1.776 1.00 0.08 C ATOM 786 CD1 LEU A 52 2.457 5.218 3.265 1.00 0.07 C ATOM 787 CD2 LEU A 52 0.977 4.475 1.402 1.00 0.08 C ATOM 0 H LEU A 52 2.510 8.241 -0.607 1.00 0.09 H new ATOM 0 HA LEU A 52 0.637 6.228 0.077 1.00 0.08 H new ATOM 0 HB2 LEU A 52 3.236 6.506 0.441 1.00 0.08 H new ATOM 0 HB3 LEU A 52 2.735 7.212 1.965 1.00 0.08 H new ATOM 0 HG LEU A 52 3.087 4.506 1.363 1.00 0.08 H new ATOM 0 HD11 LEU A 52 2.361 4.222 3.697 1.00 0.07 H new ATOM 0 HD12 LEU A 52 3.440 5.624 3.504 1.00 0.07 H new ATOM 0 HD13 LEU A 52 1.686 5.868 3.678 1.00 0.07 H new ATOM 0 HD21 LEU A 52 0.925 3.484 1.853 1.00 0.08 H new ATOM 0 HD22 LEU A 52 0.150 5.084 1.767 1.00 0.08 H new ATOM 0 HD23 LEU A 52 0.910 4.384 0.318 1.00 0.08 H new ATOM 799 N SER A 53 0.563 8.998 1.844 1.00 0.10 N ATOM 800 CA SER A 53 -0.327 9.788 2.681 1.00 0.11 C ATOM 801 C SER A 53 -1.643 10.012 1.943 1.00 0.11 C ATOM 802 O SER A 53 -2.687 10.250 2.546 1.00 0.13 O ATOM 803 CB SER A 53 0.325 11.127 3.023 1.00 0.14 C ATOM 804 OG SER A 53 1.640 10.941 3.520 1.00 1.25 O ATOM 0 H SER A 53 1.399 9.490 1.529 1.00 0.10 H new ATOM 0 HA SER A 53 -0.522 9.254 3.611 1.00 0.11 H new ATOM 0 HB2 SER A 53 0.354 11.758 2.135 1.00 0.14 H new ATOM 0 HB3 SER A 53 -0.278 11.650 3.766 1.00 0.14 H new ATOM 0 HG SER A 53 2.037 11.812 3.730 1.00 1.25 H new ATOM 810 N GLN A 54 -1.572 9.903 0.627 1.00 0.10 N ATOM 811 CA GLN A 54 -2.723 10.016 -0.226 1.00 0.11 C ATOM 812 C GLN A 54 -3.493 8.702 -0.250 1.00 0.09 C ATOM 813 O GLN A 54 -4.707 8.686 -0.274 1.00 0.10 O ATOM 814 CB GLN A 54 -2.271 10.383 -1.617 1.00 0.12 C ATOM 815 CG GLN A 54 -3.405 10.570 -2.585 1.00 0.17 C ATOM 816 CD GLN A 54 -3.406 11.931 -3.234 1.00 0.69 C ATOM 817 OE1 GLN A 54 -3.960 12.889 -2.699 1.00 1.24 O ATOM 818 NE2 GLN A 54 -2.813 12.014 -4.406 1.00 0.70 N ATOM 0 H GLN A 54 -0.701 9.732 0.124 1.00 0.10 H new ATOM 0 HA GLN A 54 -3.385 10.792 0.157 1.00 0.11 H new ATOM 0 HB2 GLN A 54 -1.688 11.303 -1.570 1.00 0.12 H new ATOM 0 HB3 GLN A 54 -1.608 9.604 -1.993 1.00 0.12 H new ATOM 0 HG2 GLN A 54 -3.345 9.804 -3.359 1.00 0.17 H new ATOM 0 HG3 GLN A 54 -4.350 10.422 -2.062 1.00 0.17 H new ATOM 0 HE21 GLN A 54 -2.366 11.191 -4.811 1.00 0.70 H new ATOM 0 HE22 GLN A 54 -2.800 12.901 -4.910 1.00 0.70 H new ATOM 827 N LEU A 55 -2.762 7.601 -0.234 1.00 0.08 N ATOM 828 CA LEU A 55 -3.325 6.279 -0.139 1.00 0.07 C ATOM 829 C LEU A 55 -3.953 6.130 1.227 1.00 0.07 C ATOM 830 O LEU A 55 -4.895 5.366 1.424 1.00 0.08 O ATOM 831 CB LEU A 55 -2.205 5.268 -0.356 1.00 0.06 C ATOM 832 CG LEU A 55 -2.558 4.054 -1.204 1.00 0.06 C ATOM 833 CD1 LEU A 55 -3.100 2.939 -0.335 1.00 0.06 C ATOM 834 CD2 LEU A 55 -3.561 4.421 -2.287 1.00 0.10 C ATOM 0 H LEU A 55 -1.743 7.608 -0.288 1.00 0.08 H new ATOM 0 HA LEU A 55 -4.094 6.110 -0.893 1.00 0.07 H new ATOM 0 HB2 LEU A 55 -1.365 5.781 -0.823 1.00 0.06 H new ATOM 0 HB3 LEU A 55 -1.863 4.919 0.618 1.00 0.06 H new ATOM 0 HG LEU A 55 -1.647 3.704 -1.690 1.00 0.06 H new ATOM 0 HD11 LEU A 55 -3.347 2.079 -0.958 1.00 0.06 H new ATOM 0 HD12 LEU A 55 -2.347 2.651 0.399 1.00 0.06 H new ATOM 0 HD13 LEU A 55 -3.997 3.283 0.181 1.00 0.06 H new ATOM 0 HD21 LEU A 55 -3.797 3.537 -2.879 1.00 0.10 H new ATOM 0 HD22 LEU A 55 -4.472 4.802 -1.825 1.00 0.10 H new ATOM 0 HD23 LEU A 55 -3.134 5.187 -2.934 1.00 0.10 H new ATOM 846 N LYS A 56 -3.436 6.914 2.158 1.00 0.07 N ATOM 847 CA LYS A 56 -4.021 7.010 3.474 1.00 0.08 C ATOM 848 C LYS A 56 -5.240 7.893 3.393 1.00 0.09 C ATOM 849 O LYS A 56 -6.209 7.692 4.095 1.00 0.12 O ATOM 850 CB LYS A 56 -3.026 7.594 4.475 1.00 0.10 C ATOM 851 CG LYS A 56 -3.467 7.456 5.925 1.00 0.11 C ATOM 852 CD LYS A 56 -4.510 6.362 6.086 1.00 0.11 C ATOM 853 CE LYS A 56 -4.882 6.144 7.538 1.00 0.20 C ATOM 854 NZ LYS A 56 -5.499 7.360 8.139 1.00 0.82 N1+ ATOM 0 H LYS A 56 -2.608 7.494 2.020 1.00 0.07 H new ATOM 0 HA LYS A 56 -4.295 6.012 3.817 1.00 0.08 H new ATOM 0 HB2 LYS A 56 -2.063 7.099 4.348 1.00 0.10 H new ATOM 0 HB3 LYS A 56 -2.874 8.649 4.249 1.00 0.10 H new ATOM 0 HG2 LYS A 56 -2.603 7.231 6.550 1.00 0.11 H new ATOM 0 HG3 LYS A 56 -3.875 8.404 6.274 1.00 0.11 H new ATOM 0 HD2 LYS A 56 -5.403 6.625 5.518 1.00 0.11 H new ATOM 0 HD3 LYS A 56 -4.128 5.432 5.666 1.00 0.11 H new ATOM 0 HE2 LYS A 56 -5.578 5.308 7.614 1.00 0.20 H new ATOM 0 HE3 LYS A 56 -3.992 5.870 8.104 1.00 0.20 H new ATOM 0 HZ1 LYS A 56 -5.937 7.113 9.049 1.00 0.82 H new ATOM 0 HZ2 LYS A 56 -4.766 8.082 8.292 1.00 0.82 H new ATOM 0 HZ3 LYS A 56 -6.225 7.735 7.496 1.00 0.82 H new ATOM 868 N THR A 57 -5.168 8.860 2.514 1.00 0.09 N ATOM 869 CA THR A 57 -6.255 9.767 2.265 1.00 0.10 C ATOM 870 C THR A 57 -7.411 9.029 1.617 1.00 0.09 C ATOM 871 O THR A 57 -8.567 9.287 1.907 1.00 0.11 O ATOM 872 CB THR A 57 -5.773 10.917 1.367 1.00 0.11 C ATOM 873 OG1 THR A 57 -5.791 12.163 2.074 1.00 0.14 O ATOM 874 CG2 THR A 57 -6.578 11.022 0.095 1.00 0.12 C ATOM 0 H THR A 57 -4.341 9.040 1.945 1.00 0.09 H new ATOM 0 HA THR A 57 -6.602 10.183 3.211 1.00 0.10 H new ATOM 0 HB THR A 57 -4.745 10.689 1.086 1.00 0.11 H new ATOM 0 HG1 THR A 57 -5.479 12.879 1.483 1.00 0.14 H new ATOM 0 HG21 THR A 57 -6.201 11.849 -0.507 1.00 0.12 H new ATOM 0 HG22 THR A 57 -6.491 10.093 -0.469 1.00 0.12 H new ATOM 0 HG23 THR A 57 -7.625 11.200 0.341 1.00 0.12 H new ATOM 882 N LEU A 58 -7.071 8.118 0.735 1.00 0.09 N ATOM 883 CA LEU A 58 -8.031 7.308 0.048 1.00 0.09 C ATOM 884 C LEU A 58 -8.591 6.254 0.967 1.00 0.09 C ATOM 885 O LEU A 58 -9.778 5.992 0.963 1.00 0.12 O ATOM 886 CB LEU A 58 -7.329 6.724 -1.145 1.00 0.11 C ATOM 887 CG LEU A 58 -6.839 7.794 -2.094 1.00 0.11 C ATOM 888 CD1 LEU A 58 -5.642 7.300 -2.876 1.00 0.13 C ATOM 889 CD2 LEU A 58 -7.973 8.238 -2.998 1.00 0.16 C ATOM 0 H LEU A 58 -6.104 7.921 0.476 1.00 0.09 H new ATOM 0 HA LEU A 58 -8.889 7.893 -0.283 1.00 0.09 H new ATOM 0 HB2 LEU A 58 -6.484 6.122 -0.810 1.00 0.11 H new ATOM 0 HB3 LEU A 58 -8.008 6.054 -1.673 1.00 0.11 H new ATOM 0 HG LEU A 58 -6.510 8.664 -1.525 1.00 0.11 H new ATOM 0 HD11 LEU A 58 -5.302 8.083 -3.554 1.00 0.13 H new ATOM 0 HD12 LEU A 58 -4.838 7.043 -2.187 1.00 0.13 H new ATOM 0 HD13 LEU A 58 -5.922 6.418 -3.452 1.00 0.13 H new ATOM 0 HD21 LEU A 58 -7.614 9.009 -3.680 1.00 0.16 H new ATOM 0 HD22 LEU A 58 -8.335 7.386 -3.573 1.00 0.16 H new ATOM 0 HD23 LEU A 58 -8.786 8.639 -2.392 1.00 0.16 H new ATOM 901 N LEU A 59 -7.734 5.668 1.769 1.00 0.07 N ATOM 902 CA LEU A 59 -8.172 4.815 2.859 1.00 0.07 C ATOM 903 C LEU A 59 -9.010 5.636 3.832 1.00 0.09 C ATOM 904 O LEU A 59 -9.972 5.156 4.399 1.00 0.11 O ATOM 905 CB LEU A 59 -6.950 4.249 3.566 1.00 0.07 C ATOM 906 CG LEU A 59 -7.174 2.956 4.339 1.00 0.08 C ATOM 907 CD1 LEU A 59 -7.187 3.221 5.807 1.00 0.09 C ATOM 908 CD2 LEU A 59 -8.475 2.313 3.955 1.00 0.08 C ATOM 0 H LEU A 59 -6.722 5.765 1.690 1.00 0.07 H new ATOM 0 HA LEU A 59 -8.777 3.994 2.475 1.00 0.07 H new ATOM 0 HB2 LEU A 59 -6.171 4.076 2.823 1.00 0.07 H new ATOM 0 HB3 LEU A 59 -6.571 5.003 4.256 1.00 0.07 H new ATOM 0 HG LEU A 59 -6.354 2.282 4.090 1.00 0.08 H new ATOM 0 HD11 LEU A 59 -7.348 2.286 6.344 1.00 0.09 H new ATOM 0 HD12 LEU A 59 -6.232 3.652 6.107 1.00 0.09 H new ATOM 0 HD13 LEU A 59 -7.990 3.919 6.044 1.00 0.09 H new ATOM 0 HD21 LEU A 59 -8.607 1.392 4.523 1.00 0.08 H new ATOM 0 HD22 LEU A 59 -9.296 2.995 4.173 1.00 0.08 H new ATOM 0 HD23 LEU A 59 -8.467 2.084 2.889 1.00 0.08 H new ATOM 920 N ASP A 60 -8.620 6.876 4.015 1.00 0.09 N ATOM 921 CA ASP A 60 -9.391 7.852 4.771 1.00 0.11 C ATOM 922 C ASP A 60 -10.720 8.081 4.106 1.00 0.12 C ATOM 923 O ASP A 60 -11.687 8.509 4.728 1.00 0.16 O ATOM 924 CB ASP A 60 -8.637 9.173 4.823 1.00 0.17 C ATOM 925 CG ASP A 60 -8.162 9.538 6.214 1.00 0.42 C ATOM 926 OD1 ASP A 60 -7.274 8.838 6.744 1.00 0.66 O ATOM 927 OD2 ASP A 60 -8.676 10.521 6.790 1.00 0.66 O1- ATOM 0 H ASP A 60 -7.747 7.246 3.640 1.00 0.09 H new ATOM 0 HA ASP A 60 -9.545 7.471 5.781 1.00 0.11 H new ATOM 0 HB2 ASP A 60 -7.777 9.119 4.156 1.00 0.17 H new ATOM 0 HB3 ASP A 60 -9.283 9.967 4.447 1.00 0.17 H new ATOM 932 N LYS A 61 -10.751 7.813 2.824 1.00 0.12 N ATOM 933 CA LYS A 61 -11.971 7.895 2.081 1.00 0.14 C ATOM 934 C LYS A 61 -12.789 6.645 2.304 1.00 0.12 C ATOM 935 O LYS A 61 -14.005 6.629 2.157 1.00 0.17 O ATOM 936 CB LYS A 61 -11.679 8.114 0.609 1.00 0.19 C ATOM 937 CG LYS A 61 -10.978 9.417 0.384 1.00 0.25 C ATOM 938 CD LYS A 61 -11.113 9.906 -1.049 1.00 0.39 C ATOM 939 CE LYS A 61 -10.416 11.242 -1.242 1.00 1.20 C ATOM 940 NZ LYS A 61 -10.530 11.734 -2.637 1.00 1.92 N1+ ATOM 0 H LYS A 61 -9.937 7.535 2.276 1.00 0.12 H new ATOM 0 HA LYS A 61 -12.552 8.749 2.431 1.00 0.14 H new ATOM 0 HB2 LYS A 61 -11.063 7.297 0.232 1.00 0.19 H new ATOM 0 HB3 LYS A 61 -12.611 8.097 0.044 1.00 0.19 H new ATOM 0 HG2 LYS A 61 -11.385 10.168 1.061 1.00 0.25 H new ATOM 0 HG3 LYS A 61 -9.922 9.306 0.629 1.00 0.25 H new ATOM 0 HD2 LYS A 61 -10.686 9.169 -1.729 1.00 0.39 H new ATOM 0 HD3 LYS A 61 -12.168 10.003 -1.305 1.00 0.39 H new ATOM 0 HE2 LYS A 61 -10.847 11.977 -0.562 1.00 1.20 H new ATOM 0 HE3 LYS A 61 -9.363 11.143 -0.978 1.00 1.20 H new ATOM 0 HZ1 LYS A 61 -10.041 12.648 -2.724 1.00 1.92 H new ATOM 0 HZ2 LYS A 61 -10.096 11.046 -3.284 1.00 1.92 H new ATOM 0 HZ3 LYS A 61 -11.534 11.854 -2.882 1.00 1.92 H new ATOM 954 N LEU A 62 -12.095 5.623 2.734 1.00 0.10 N ATOM 955 CA LEU A 62 -12.713 4.344 3.035 1.00 0.11 C ATOM 956 C LEU A 62 -13.173 4.386 4.453 1.00 0.12 C ATOM 957 O LEU A 62 -14.014 3.607 4.884 1.00 0.14 O ATOM 958 CB LEU A 62 -11.748 3.167 2.856 1.00 0.11 C ATOM 959 CG LEU A 62 -11.573 2.668 1.428 1.00 0.11 C ATOM 960 CD1 LEU A 62 -12.780 3.037 0.626 1.00 0.13 C ATOM 961 CD2 LEU A 62 -10.332 3.222 0.783 1.00 0.11 C ATOM 0 H LEU A 62 -11.087 5.647 2.887 1.00 0.10 H new ATOM 0 HA LEU A 62 -13.539 4.188 2.342 1.00 0.11 H new ATOM 0 HB2 LEU A 62 -10.771 3.460 3.241 1.00 0.11 H new ATOM 0 HB3 LEU A 62 -12.098 2.338 3.471 1.00 0.11 H new ATOM 0 HG LEU A 62 -11.461 1.584 1.459 1.00 0.11 H new ATOM 0 HD11 LEU A 62 -12.659 2.682 -0.397 1.00 0.13 H new ATOM 0 HD12 LEU A 62 -13.665 2.578 1.068 1.00 0.13 H new ATOM 0 HD13 LEU A 62 -12.897 4.121 0.622 1.00 0.13 H new ATOM 0 HD21 LEU A 62 -10.249 2.839 -0.234 1.00 0.11 H new ATOM 0 HD22 LEU A 62 -10.390 4.310 0.757 1.00 0.11 H new ATOM 0 HD23 LEU A 62 -9.457 2.919 1.358 1.00 0.11 H new ATOM 973 N GLU A 63 -12.548 5.281 5.182 1.00 0.11 N ATOM 974 CA GLU A 63 -12.907 5.556 6.544 1.00 0.14 C ATOM 975 C GLU A 63 -14.403 5.713 6.709 1.00 0.16 C ATOM 976 O GLU A 63 -15.058 6.419 5.940 1.00 0.20 O ATOM 977 CB GLU A 63 -12.208 6.804 7.024 1.00 0.16 C ATOM 978 CG GLU A 63 -10.928 6.527 7.774 1.00 0.17 C ATOM 979 CD GLU A 63 -10.561 7.624 8.749 1.00 0.85 C ATOM 980 OE1 GLU A 63 -9.367 7.747 9.082 1.00 1.29 O ATOM 981 OE2 GLU A 63 -11.470 8.349 9.209 1.00 1.75 O1- ATOM 0 H GLU A 63 -11.769 5.842 4.838 1.00 0.11 H new ATOM 0 HA GLU A 63 -12.590 4.704 7.145 1.00 0.14 H new ATOM 0 HB2 GLU A 63 -11.987 7.440 6.167 1.00 0.16 H new ATOM 0 HB3 GLU A 63 -12.884 7.364 7.670 1.00 0.16 H new ATOM 0 HG2 GLU A 63 -11.028 5.586 8.316 1.00 0.17 H new ATOM 0 HG3 GLU A 63 -10.116 6.398 7.059 1.00 0.17 H new ATOM 988 N GLY A 64 -14.935 5.032 7.701 1.00 0.18 N ATOM 989 CA GLY A 64 -16.351 5.071 7.939 1.00 0.20 C ATOM 990 C GLY A 64 -17.077 3.996 7.164 1.00 0.20 C ATOM 991 O GLY A 64 -18.266 3.763 7.377 1.00 0.26 O ATOM 0 H GLY A 64 -14.406 4.449 8.350 1.00 0.18 H new ATOM 0 HA2 GLY A 64 -16.545 4.946 9.004 1.00 0.20 H new ATOM 0 HA3 GLY A 64 -16.741 6.049 7.657 1.00 0.20 H new ATOM 995 N SER A 65 -16.365 3.353 6.243 1.00 0.16 N ATOM 996 CA SER A 65 -16.936 2.265 5.464 1.00 0.16 C ATOM 997 C SER A 65 -16.289 0.943 5.866 1.00 0.18 C ATOM 998 O SER A 65 -15.295 0.939 6.591 1.00 0.25 O ATOM 999 CB SER A 65 -16.732 2.532 3.976 1.00 0.19 C ATOM 1000 OG SER A 65 -16.507 3.910 3.740 1.00 0.27 O ATOM 0 H SER A 65 -15.393 3.568 6.020 1.00 0.16 H new ATOM 0 HA SER A 65 -18.006 2.201 5.663 1.00 0.16 H new ATOM 0 HB2 SER A 65 -15.884 1.952 3.611 1.00 0.19 H new ATOM 0 HB3 SER A 65 -17.608 2.201 3.419 1.00 0.19 H new ATOM 0 HG SER A 65 -15.598 4.146 4.021 1.00 0.27 H new ATOM 1006 N ARG A 66 -16.835 -0.174 5.402 1.00 0.21 N ATOM 1007 CA ARG A 66 -16.229 -1.471 5.677 1.00 0.22 C ATOM 1008 C ARG A 66 -14.942 -1.619 4.901 1.00 0.21 C ATOM 1009 O ARG A 66 -13.980 -2.224 5.372 1.00 0.24 O ATOM 1010 CB ARG A 66 -17.158 -2.611 5.292 1.00 0.26 C ATOM 1011 CG ARG A 66 -16.865 -3.181 3.915 1.00 0.47 C ATOM 1012 CD ARG A 66 -17.746 -4.356 3.575 1.00 0.47 C ATOM 1013 NE ARG A 66 -17.275 -5.051 2.373 1.00 1.46 N ATOM 1014 CZ ARG A 66 -17.869 -6.121 1.847 1.00 1.87 C ATOM 1015 NH1 ARG A 66 -18.957 -6.623 2.410 1.00 1.50 N1+ ATOM 1016 NH2 ARG A 66 -17.372 -6.689 0.756 1.00 3.05 N ATOM 0 H ARG A 66 -17.686 -0.209 4.840 1.00 0.21 H new ATOM 0 HA ARG A 66 -16.033 -1.518 6.748 1.00 0.22 H new ATOM 0 HB2 ARG A 66 -17.074 -3.406 6.033 1.00 0.26 H new ATOM 0 HB3 ARG A 66 -18.189 -2.257 5.320 1.00 0.26 H new ATOM 0 HG2 ARG A 66 -17.001 -2.401 3.166 1.00 0.47 H new ATOM 0 HG3 ARG A 66 -15.820 -3.489 3.868 1.00 0.47 H new ATOM 0 HD2 ARG A 66 -17.767 -5.051 4.414 1.00 0.47 H new ATOM 0 HD3 ARG A 66 -18.769 -4.012 3.421 1.00 0.47 H new ATOM 0 HE ARG A 66 -16.440 -4.693 1.910 1.00 1.46 H new ATOM 0 HH11 ARG A 66 -19.343 -6.190 3.249 1.00 1.50 H new ATOM 0 HH12 ARG A 66 -19.409 -7.442 2.005 1.00 1.50 H new ATOM 0 HH21 ARG A 66 -16.534 -6.306 0.319 1.00 3.05 H new ATOM 0 HH22 ARG A 66 -17.828 -7.508 0.355 1.00 3.05 H new ATOM 1030 N GLU A 67 -14.952 -1.039 3.709 1.00 0.19 N ATOM 1031 CA GLU A 67 -13.853 -1.155 2.773 1.00 0.18 C ATOM 1032 C GLU A 67 -12.588 -0.750 3.449 1.00 0.15 C ATOM 1033 O GLU A 67 -11.547 -1.345 3.269 1.00 0.14 O ATOM 1034 CB GLU A 67 -14.112 -0.254 1.596 1.00 0.19 C ATOM 1035 CG GLU A 67 -14.309 -0.978 0.308 1.00 0.33 C ATOM 1036 CD GLU A 67 -13.087 -1.725 -0.170 1.00 1.54 C ATOM 1037 OE1 GLU A 67 -13.195 -2.951 -0.382 1.00 1.70 O ATOM 1038 OE2 GLU A 67 -12.027 -1.097 -0.343 1.00 2.51 O1- ATOM 0 H GLU A 67 -15.728 -0.473 3.367 1.00 0.19 H new ATOM 0 HA GLU A 67 -13.764 -2.185 2.429 1.00 0.18 H new ATOM 0 HB2 GLU A 67 -14.997 0.349 1.801 1.00 0.19 H new ATOM 0 HB3 GLU A 67 -13.275 0.436 1.489 1.00 0.19 H new ATOM 0 HG2 GLU A 67 -15.132 -1.684 0.422 1.00 0.33 H new ATOM 0 HG3 GLU A 67 -14.607 -0.262 -0.458 1.00 0.33 H new ATOM 1045 N HIS A 68 -12.750 0.260 4.261 1.00 0.14 N ATOM 1046 CA HIS A 68 -11.702 0.802 5.097 1.00 0.13 C ATOM 1047 C HIS A 68 -10.853 -0.250 5.727 1.00 0.14 C ATOM 1048 O HIS A 68 -9.669 -0.122 5.765 1.00 0.13 O ATOM 1049 CB HIS A 68 -12.298 1.592 6.221 1.00 0.15 C ATOM 1050 CG HIS A 68 -11.271 2.387 6.910 1.00 0.15 C ATOM 1051 ND1 HIS A 68 -10.562 3.399 6.438 1.00 0.17 N flip ATOM 1052 CD2 HIS A 68 -10.807 2.144 8.173 1.00 0.14 C flip ATOM 1053 CE1 HIS A 68 -9.674 3.770 7.396 1.00 0.17 C flip ATOM 1054 NE2 HIS A 68 -9.838 2.995 8.431 1.00 0.15 N flip ATOM 0 H HIS A 68 -13.641 0.746 4.365 1.00 0.14 H new ATOM 0 HA HIS A 68 -11.088 1.415 4.437 1.00 0.13 H new ATOM 0 HB2 HIS A 68 -13.075 2.252 5.834 1.00 0.15 H new ATOM 0 HB3 HIS A 68 -12.777 0.917 6.930 1.00 0.15 H new ATOM 0 HD1 HIS A 68 -10.664 3.825 5.517 1.00 0.17 H new ATOM 0 HD2 HIS A 68 -11.174 1.382 8.845 1.00 0.14 H new ATOM 0 HE1 HIS A 68 -8.954 4.571 7.314 1.00 0.17 H new ATOM 1063 N THR A 69 -11.484 -1.242 6.271 1.00 0.15 N ATOM 1064 CA THR A 69 -10.786 -2.317 6.948 1.00 0.16 C ATOM 1065 C THR A 69 -9.830 -3.007 6.013 1.00 0.15 C ATOM 1066 O THR A 69 -8.633 -3.138 6.256 1.00 0.15 O ATOM 1067 CB THR A 69 -11.792 -3.355 7.379 1.00 0.19 C ATOM 1068 OG1 THR A 69 -12.669 -2.835 8.384 1.00 0.22 O ATOM 1069 CG2 THR A 69 -11.094 -4.608 7.851 1.00 0.21 C ATOM 0 H THR A 69 -12.499 -1.340 6.265 1.00 0.15 H new ATOM 0 HA THR A 69 -10.246 -1.890 7.793 1.00 0.16 H new ATOM 0 HB THR A 69 -12.404 -3.617 6.516 1.00 0.19 H new ATOM 0 HG1 THR A 69 -13.313 -3.526 8.646 1.00 0.22 H new ATOM 0 HG21 THR A 69 -11.837 -5.345 8.158 1.00 0.21 H new ATOM 0 HG22 THR A 69 -10.491 -5.016 7.040 1.00 0.21 H new ATOM 0 HG23 THR A 69 -10.450 -4.369 8.697 1.00 0.21 H new ATOM 1077 N LEU A 70 -10.418 -3.393 4.926 1.00 0.15 N ATOM 1078 CA LEU A 70 -9.806 -4.174 3.905 1.00 0.16 C ATOM 1079 C LEU A 70 -8.746 -3.345 3.291 1.00 0.13 C ATOM 1080 O LEU A 70 -7.619 -3.759 3.077 1.00 0.12 O ATOM 1081 CB LEU A 70 -10.920 -4.539 2.914 1.00 0.18 C ATOM 1082 CG LEU A 70 -10.524 -4.965 1.510 1.00 0.20 C ATOM 1083 CD1 LEU A 70 -10.375 -3.753 0.625 1.00 0.19 C ATOM 1084 CD2 LEU A 70 -9.258 -5.801 1.534 1.00 0.21 C ATOM 0 H LEU A 70 -11.389 -3.158 4.718 1.00 0.15 H new ATOM 0 HA LEU A 70 -9.343 -5.092 4.267 1.00 0.16 H new ATOM 0 HB2 LEU A 70 -11.505 -5.347 3.354 1.00 0.18 H new ATOM 0 HB3 LEU A 70 -11.582 -3.678 2.826 1.00 0.18 H new ATOM 0 HG LEU A 70 -11.314 -5.591 1.096 1.00 0.20 H new ATOM 0 HD11 LEU A 70 -10.091 -4.068 -0.379 1.00 0.19 H new ATOM 0 HD12 LEU A 70 -11.322 -3.215 0.582 1.00 0.19 H new ATOM 0 HD13 LEU A 70 -9.604 -3.098 1.031 1.00 0.19 H new ATOM 0 HD21 LEU A 70 -8.996 -6.093 0.517 1.00 0.21 H new ATOM 0 HD22 LEU A 70 -8.445 -5.217 1.965 1.00 0.21 H new ATOM 0 HD23 LEU A 70 -9.423 -6.694 2.137 1.00 0.21 H new ATOM 1096 N ALA A 71 -9.127 -2.147 3.098 1.00 0.11 N ATOM 1097 CA ALA A 71 -8.339 -1.204 2.415 1.00 0.09 C ATOM 1098 C ALA A 71 -7.330 -0.578 3.339 1.00 0.07 C ATOM 1099 O ALA A 71 -6.363 -0.011 2.894 1.00 0.06 O ATOM 1100 CB ALA A 71 -9.261 -0.198 1.808 1.00 0.10 C ATOM 0 H ALA A 71 -10.023 -1.783 3.420 1.00 0.11 H new ATOM 0 HA ALA A 71 -7.761 -1.682 1.624 1.00 0.09 H new ATOM 0 HB1 ALA A 71 -8.679 0.550 1.269 1.00 0.10 H new ATOM 0 HB2 ALA A 71 -9.940 -0.697 1.116 1.00 0.10 H new ATOM 0 HB3 ALA A 71 -9.838 0.288 2.595 1.00 0.10 H new ATOM 1106 N LYS A 72 -7.561 -0.683 4.628 1.00 0.08 N ATOM 1107 CA LYS A 72 -6.594 -0.308 5.604 1.00 0.09 C ATOM 1108 C LYS A 72 -5.593 -1.388 5.634 1.00 0.10 C ATOM 1109 O LYS A 72 -4.408 -1.160 5.760 1.00 0.10 O ATOM 1110 CB LYS A 72 -7.223 -0.187 6.957 1.00 0.11 C ATOM 1111 CG LYS A 72 -6.260 0.316 7.981 1.00 0.14 C ATOM 1112 CD LYS A 72 -6.966 1.175 8.984 1.00 0.17 C ATOM 1113 CE LYS A 72 -6.234 1.207 10.315 1.00 0.22 C ATOM 1114 NZ LYS A 72 -6.904 2.093 11.303 1.00 1.35 N1+ ATOM 0 H LYS A 72 -8.435 -1.035 5.019 1.00 0.08 H new ATOM 0 HA LYS A 72 -6.152 0.656 5.352 1.00 0.09 H new ATOM 0 HB2 LYS A 72 -8.077 0.488 6.900 1.00 0.11 H new ATOM 0 HB3 LYS A 72 -7.606 -1.159 7.267 1.00 0.11 H new ATOM 0 HG2 LYS A 72 -5.783 -0.525 8.485 1.00 0.14 H new ATOM 0 HG3 LYS A 72 -5.469 0.888 7.496 1.00 0.14 H new ATOM 0 HD2 LYS A 72 -7.056 2.189 8.594 1.00 0.17 H new ATOM 0 HD3 LYS A 72 -7.978 0.800 9.135 1.00 0.17 H new ATOM 0 HE2 LYS A 72 -6.173 0.196 10.719 1.00 0.22 H new ATOM 0 HE3 LYS A 72 -5.211 1.549 10.157 1.00 0.22 H new ATOM 0 HZ1 LYS A 72 -6.370 2.084 12.196 1.00 1.35 H new ATOM 0 HZ2 LYS A 72 -6.940 3.063 10.931 1.00 1.35 H new ATOM 0 HZ3 LYS A 72 -7.871 1.752 11.475 1.00 1.35 H new ATOM 1128 N SER A 73 -6.091 -2.589 5.469 1.00 0.10 N ATOM 1129 CA SER A 73 -5.211 -3.713 5.454 1.00 0.12 C ATOM 1130 C SER A 73 -4.532 -3.825 4.090 1.00 0.11 C ATOM 1131 O SER A 73 -3.615 -4.620 3.907 1.00 0.13 O ATOM 1132 CB SER A 73 -5.911 -5.018 5.860 1.00 0.16 C ATOM 1133 OG SER A 73 -6.991 -5.336 5.000 1.00 1.18 O ATOM 0 H SER A 73 -7.081 -2.803 5.346 1.00 0.10 H new ATOM 0 HA SER A 73 -4.443 -3.547 6.210 1.00 0.12 H new ATOM 0 HB2 SER A 73 -5.189 -5.834 5.850 1.00 0.16 H new ATOM 0 HB3 SER A 73 -6.277 -4.929 6.883 1.00 0.16 H new ATOM 0 HG SER A 73 -6.957 -4.763 4.206 1.00 1.18 H new ATOM 1139 N LYS A 74 -5.012 -3.039 3.119 1.00 0.09 N ATOM 1140 CA LYS A 74 -4.298 -2.826 1.886 1.00 0.08 C ATOM 1141 C LYS A 74 -3.348 -1.690 2.044 1.00 0.06 C ATOM 1142 O LYS A 74 -2.163 -1.803 1.783 1.00 0.05 O ATOM 1143 CB LYS A 74 -5.257 -2.460 0.807 1.00 0.08 C ATOM 1144 CG LYS A 74 -6.279 -3.507 0.568 1.00 0.10 C ATOM 1145 CD LYS A 74 -7.324 -2.950 -0.316 1.00 0.12 C ATOM 1146 CE LYS A 74 -6.949 -3.198 -1.729 1.00 0.22 C ATOM 1147 NZ LYS A 74 -7.353 -2.092 -2.619 1.00 1.02 N1+ ATOM 0 H LYS A 74 -5.901 -2.543 3.179 1.00 0.09 H new ATOM 0 HA LYS A 74 -3.764 -3.742 1.633 1.00 0.08 H new ATOM 0 HB2 LYS A 74 -5.754 -1.527 1.070 1.00 0.08 H new ATOM 0 HB3 LYS A 74 -4.706 -2.278 -0.116 1.00 0.08 H new ATOM 0 HG2 LYS A 74 -5.823 -4.384 0.109 1.00 0.10 H new ATOM 0 HG3 LYS A 74 -6.716 -3.832 1.512 1.00 0.10 H new ATOM 0 HD2 LYS A 74 -8.287 -3.411 -0.096 1.00 0.12 H new ATOM 0 HD3 LYS A 74 -7.435 -1.880 -0.139 1.00 0.12 H new ATOM 0 HE2 LYS A 74 -5.870 -3.340 -1.797 1.00 0.22 H new ATOM 0 HE3 LYS A 74 -7.414 -4.123 -2.069 1.00 0.22 H new ATOM 0 HZ1 LYS A 74 -8.020 -2.447 -3.333 1.00 1.02 H new ATOM 0 HZ2 LYS A 74 -7.811 -1.345 -2.059 1.00 1.02 H new ATOM 0 HZ3 LYS A 74 -6.513 -1.703 -3.093 1.00 1.02 H new ATOM 1161 N TYR A 75 -3.919 -0.586 2.452 1.00 0.05 N ATOM 1162 CA TYR A 75 -3.197 0.625 2.682 1.00 0.04 C ATOM 1163 C TYR A 75 -1.993 0.370 3.550 1.00 0.05 C ATOM 1164 O TYR A 75 -0.881 0.659 3.165 1.00 0.05 O ATOM 1165 CB TYR A 75 -4.086 1.636 3.390 1.00 0.05 C ATOM 1166 CG TYR A 75 -3.256 2.658 4.127 1.00 0.05 C ATOM 1167 CD1 TYR A 75 -3.116 2.593 5.506 1.00 0.09 C ATOM 1168 CD2 TYR A 75 -2.676 3.720 3.453 1.00 0.07 C ATOM 1169 CE1 TYR A 75 -2.417 3.554 6.200 1.00 0.15 C ATOM 1170 CE2 TYR A 75 -1.964 4.687 4.135 1.00 0.13 C ATOM 1171 CZ TYR A 75 -1.623 4.469 5.455 1.00 0.08 C ATOM 1172 OH TYR A 75 -1.138 5.575 6.192 1.00 0.25 O ATOM 0 H TYR A 75 -4.919 -0.509 2.635 1.00 0.05 H new ATOM 0 HA TYR A 75 -2.878 1.012 1.714 1.00 0.04 H new ATOM 0 HB2 TYR A 75 -4.725 2.137 2.663 1.00 0.05 H new ATOM 0 HB3 TYR A 75 -4.743 1.121 4.091 1.00 0.05 H new ATOM 0 HD1 TYR A 75 -3.565 1.772 6.045 1.00 0.09 H new ATOM 0 HD2 TYR A 75 -2.782 3.793 2.381 1.00 0.07 H new ATOM 0 HE1 TYR A 75 -2.470 3.612 7.277 1.00 0.15 H new ATOM 0 HE2 TYR A 75 -1.677 5.604 3.641 1.00 0.13 H new ATOM 0 HH TYR A 75 -0.422 6.015 5.688 1.00 0.25 H new ATOM 1182 N ASP A 76 -2.247 -0.197 4.717 1.00 0.06 N ATOM 1183 CA ASP A 76 -1.246 -0.343 5.750 1.00 0.08 C ATOM 1184 C ASP A 76 -0.177 -1.251 5.234 1.00 0.09 C ATOM 1185 O ASP A 76 1.008 -1.088 5.482 1.00 0.13 O ATOM 1186 CB ASP A 76 -1.840 -0.992 6.989 1.00 0.13 C ATOM 1187 CG ASP A 76 -1.193 -0.507 8.270 1.00 0.39 C ATOM 1188 OD1 ASP A 76 -1.427 0.659 8.653 1.00 0.56 O ATOM 1189 OD2 ASP A 76 -0.467 -1.294 8.916 1.00 0.65 O1- ATOM 0 H ASP A 76 -3.161 -0.570 4.972 1.00 0.06 H new ATOM 0 HA ASP A 76 -0.858 0.642 6.008 1.00 0.08 H new ATOM 0 HB2 ASP A 76 -2.909 -0.784 7.026 1.00 0.13 H new ATOM 0 HB3 ASP A 76 -1.728 -2.074 6.917 1.00 0.13 H new ATOM 1194 N SER A 77 -0.669 -2.198 4.479 1.00 0.07 N ATOM 1195 CA SER A 77 0.113 -3.220 3.846 1.00 0.07 C ATOM 1196 C SER A 77 1.068 -2.562 2.886 1.00 0.06 C ATOM 1197 O SER A 77 2.289 -2.675 2.992 1.00 0.06 O ATOM 1198 CB SER A 77 -0.865 -4.116 3.092 1.00 0.08 C ATOM 1199 OG SER A 77 -0.232 -5.112 2.323 1.00 0.10 O ATOM 0 H SER A 77 -1.667 -2.279 4.282 1.00 0.07 H new ATOM 0 HA SER A 77 0.687 -3.805 4.564 1.00 0.07 H new ATOM 0 HB2 SER A 77 -1.536 -4.591 3.807 1.00 0.08 H new ATOM 0 HB3 SER A 77 -1.481 -3.499 2.438 1.00 0.08 H new ATOM 0 HG SER A 77 0.664 -4.808 2.068 1.00 0.10 H new ATOM 1205 N LEU A 78 0.464 -1.799 2.009 1.00 0.04 N ATOM 1206 CA LEU A 78 1.124 -1.132 0.933 1.00 0.04 C ATOM 1207 C LEU A 78 2.060 -0.082 1.507 1.00 0.04 C ATOM 1208 O LEU A 78 3.181 0.124 1.048 1.00 0.04 O ATOM 1209 CB LEU A 78 0.007 -0.521 0.107 1.00 0.03 C ATOM 1210 CG LEU A 78 0.393 0.127 -1.200 1.00 0.03 C ATOM 1211 CD1 LEU A 78 0.441 1.609 -0.985 1.00 0.03 C ATOM 1212 CD2 LEU A 78 1.729 -0.391 -1.686 1.00 0.04 C ATOM 0 H LEU A 78 -0.541 -1.624 2.033 1.00 0.04 H new ATOM 0 HA LEU A 78 1.736 -1.790 0.316 1.00 0.04 H new ATOM 0 HB2 LEU A 78 -0.723 -1.302 -0.106 1.00 0.03 H new ATOM 0 HB3 LEU A 78 -0.496 0.227 0.720 1.00 0.03 H new ATOM 0 HG LEU A 78 -0.342 -0.115 -1.968 1.00 0.03 H new ATOM 0 HD11 LEU A 78 0.718 2.103 -1.916 1.00 0.03 H new ATOM 0 HD12 LEU A 78 -0.539 1.962 -0.665 1.00 0.03 H new ATOM 0 HD13 LEU A 78 1.179 1.842 -0.217 1.00 0.03 H new ATOM 0 HD21 LEU A 78 1.985 0.091 -2.629 1.00 0.04 H new ATOM 0 HD22 LEU A 78 2.497 -0.169 -0.945 1.00 0.04 H new ATOM 0 HD23 LEU A 78 1.669 -1.469 -1.834 1.00 0.04 H new ATOM 1224 N ALA A 79 1.575 0.520 2.564 1.00 0.04 N ATOM 1225 CA ALA A 79 2.279 1.532 3.305 1.00 0.04 C ATOM 1226 C ALA A 79 3.489 0.943 3.944 1.00 0.05 C ATOM 1227 O ALA A 79 4.522 1.571 4.009 1.00 0.07 O ATOM 1228 CB ALA A 79 1.344 2.131 4.350 1.00 0.05 C ATOM 0 H ALA A 79 0.651 0.312 2.943 1.00 0.04 H new ATOM 0 HA ALA A 79 2.605 2.325 2.632 1.00 0.04 H new ATOM 0 HB1 ALA A 79 1.873 2.899 4.914 1.00 0.05 H new ATOM 0 HB2 ALA A 79 0.481 2.575 3.854 1.00 0.05 H new ATOM 0 HB3 ALA A 79 1.008 1.348 5.030 1.00 0.05 H new ATOM 1234 N THR A 80 3.364 -0.280 4.358 1.00 0.05 N ATOM 1235 CA THR A 80 4.449 -0.980 4.982 1.00 0.05 C ATOM 1236 C THR A 80 5.488 -1.384 3.958 1.00 0.05 C ATOM 1237 O THR A 80 6.672 -1.312 4.216 1.00 0.05 O ATOM 1238 CB THR A 80 3.928 -2.227 5.661 1.00 0.06 C ATOM 1239 OG1 THR A 80 3.061 -1.877 6.748 1.00 0.07 O ATOM 1240 CG2 THR A 80 5.075 -3.080 6.164 1.00 0.07 C ATOM 0 H THR A 80 2.505 -0.824 4.274 1.00 0.05 H new ATOM 0 HA THR A 80 4.907 -0.314 5.714 1.00 0.05 H new ATOM 0 HB THR A 80 3.362 -2.804 4.930 1.00 0.06 H new ATOM 0 HG1 THR A 80 2.135 -1.840 6.429 1.00 0.07 H new ATOM 0 HG21 THR A 80 4.679 -3.972 6.649 1.00 0.07 H new ATOM 0 HG22 THR A 80 5.706 -3.373 5.325 1.00 0.07 H new ATOM 0 HG23 THR A 80 5.666 -2.509 6.880 1.00 0.07 H new ATOM 1248 N GLN A 81 5.028 -1.801 2.795 1.00 0.05 N ATOM 1249 CA GLN A 81 5.865 -2.252 1.753 1.00 0.05 C ATOM 1250 C GLN A 81 6.680 -1.125 1.259 1.00 0.05 C ATOM 1251 O GLN A 81 7.868 -1.269 1.002 1.00 0.05 O ATOM 1252 CB GLN A 81 4.979 -2.821 0.676 1.00 0.05 C ATOM 1253 CG GLN A 81 4.328 -4.061 1.199 1.00 0.05 C ATOM 1254 CD GLN A 81 3.026 -4.416 0.573 1.00 0.07 C ATOM 1255 OE1 GLN A 81 2.180 -4.943 1.414 1.00 0.09 O flip ATOM 1256 NE2 GLN A 81 2.781 -4.194 -0.604 1.00 0.07 N flip ATOM 0 H GLN A 81 4.035 -1.828 2.564 1.00 0.05 H new ATOM 0 HA GLN A 81 6.554 -3.025 2.094 1.00 0.05 H new ATOM 0 HB2 GLN A 81 4.224 -2.092 0.383 1.00 0.05 H new ATOM 0 HB3 GLN A 81 5.565 -3.048 -0.215 1.00 0.05 H new ATOM 0 HG2 GLN A 81 5.016 -4.896 1.063 1.00 0.05 H new ATOM 0 HG3 GLN A 81 4.175 -3.945 2.272 1.00 0.05 H new ATOM 0 HE21 GLN A 81 3.494 -3.779 -1.204 1.00 0.07 H new ATOM 0 HE22 GLN A 81 1.864 -4.424 -0.986 1.00 0.07 H new ATOM 1265 N ILE A 82 6.056 0.021 1.164 1.00 0.04 N ATOM 1266 CA ILE A 82 6.810 1.160 0.802 1.00 0.04 C ATOM 1267 C ILE A 82 7.628 1.628 1.998 1.00 0.05 C ATOM 1268 O ILE A 82 8.800 1.873 1.853 1.00 0.05 O ATOM 1269 CB ILE A 82 5.983 2.338 0.220 1.00 0.05 C ATOM 1270 CG1 ILE A 82 5.247 3.112 1.276 1.00 0.05 C ATOM 1271 CG2 ILE A 82 4.990 1.904 -0.827 1.00 0.05 C ATOM 1272 CD1 ILE A 82 6.006 4.326 1.711 1.00 0.06 C ATOM 0 H ILE A 82 5.061 0.174 1.329 1.00 0.04 H new ATOM 0 HA ILE A 82 7.458 0.841 -0.015 1.00 0.04 H new ATOM 0 HB ILE A 82 6.730 2.982 -0.244 1.00 0.05 H new ATOM 0 HG12 ILE A 82 4.272 3.412 0.892 1.00 0.05 H new ATOM 0 HG13 ILE A 82 5.067 2.469 2.137 1.00 0.05 H new ATOM 0 HG21 ILE A 82 4.444 2.773 -1.194 1.00 0.05 H new ATOM 0 HG22 ILE A 82 5.518 1.431 -1.655 1.00 0.05 H new ATOM 0 HG23 ILE A 82 4.289 1.193 -0.391 1.00 0.05 H new ATOM 0 HD11 ILE A 82 5.438 4.856 2.475 1.00 0.06 H new ATOM 0 HD12 ILE A 82 6.971 4.025 2.120 1.00 0.06 H new ATOM 0 HD13 ILE A 82 6.164 4.983 0.855 1.00 0.06 H new ATOM 1284 N LYS A 83 7.004 1.736 3.182 1.00 0.05 N ATOM 1285 CA LYS A 83 7.704 2.166 4.400 1.00 0.05 C ATOM 1286 C LYS A 83 8.922 1.321 4.680 1.00 0.05 C ATOM 1287 O LYS A 83 9.886 1.785 5.261 1.00 0.06 O ATOM 1288 CB LYS A 83 6.777 2.087 5.599 1.00 0.06 C ATOM 1289 CG LYS A 83 6.401 3.445 6.128 1.00 0.10 C ATOM 1290 CD LYS A 83 5.575 4.181 5.108 1.00 0.12 C ATOM 1291 CE LYS A 83 5.526 5.650 5.399 1.00 0.20 C ATOM 1292 NZ LYS A 83 4.912 5.950 6.721 1.00 0.95 N1+ ATOM 0 H LYS A 83 6.014 1.531 3.320 1.00 0.05 H new ATOM 0 HA LYS A 83 8.022 3.195 4.233 1.00 0.05 H new ATOM 0 HB2 LYS A 83 5.873 1.546 5.320 1.00 0.06 H new ATOM 0 HB3 LYS A 83 7.260 1.513 6.390 1.00 0.06 H new ATOM 0 HG2 LYS A 83 5.840 3.341 7.057 1.00 0.10 H new ATOM 0 HG3 LYS A 83 7.300 4.016 6.361 1.00 0.10 H new ATOM 0 HD2 LYS A 83 5.993 4.019 4.114 1.00 0.12 H new ATOM 0 HD3 LYS A 83 4.563 3.777 5.098 1.00 0.12 H new ATOM 0 HE2 LYS A 83 6.537 6.056 5.371 1.00 0.20 H new ATOM 0 HE3 LYS A 83 4.959 6.153 4.616 1.00 0.20 H new ATOM 0 HZ1 LYS A 83 4.840 6.980 6.845 1.00 0.95 H new ATOM 0 HZ2 LYS A 83 3.962 5.529 6.766 1.00 0.95 H new ATOM 0 HZ3 LYS A 83 5.504 5.551 7.477 1.00 0.95 H new ATOM 1306 N ALA A 84 8.836 0.072 4.303 1.00 0.05 N ATOM 1307 CA ALA A 84 9.931 -0.845 4.359 1.00 0.05 C ATOM 1308 C ALA A 84 10.994 -0.428 3.422 1.00 0.04 C ATOM 1309 O ALA A 84 12.171 -0.382 3.759 1.00 0.05 O ATOM 1310 CB ALA A 84 9.422 -2.155 3.906 1.00 0.05 C ATOM 0 H ALA A 84 7.977 -0.341 3.940 1.00 0.05 H new ATOM 0 HA ALA A 84 10.335 -0.883 5.371 1.00 0.05 H new ATOM 0 HB1 ALA A 84 10.228 -2.888 3.933 1.00 0.05 H new ATOM 0 HB2 ALA A 84 8.615 -2.479 4.563 1.00 0.05 H new ATOM 0 HB3 ALA A 84 9.046 -2.067 2.887 1.00 0.05 H new ATOM 1316 N ILE A 85 10.557 -0.146 2.225 1.00 0.04 N ATOM 1317 CA ILE A 85 11.435 0.298 1.219 1.00 0.04 C ATOM 1318 C ILE A 85 12.089 1.545 1.693 1.00 0.04 C ATOM 1319 O ILE A 85 13.294 1.677 1.652 1.00 0.05 O ATOM 1320 CB ILE A 85 10.684 0.549 -0.084 1.00 0.04 C ATOM 1321 CG1 ILE A 85 10.280 -0.787 -0.662 1.00 0.04 C ATOM 1322 CG2 ILE A 85 11.523 1.373 -1.037 1.00 0.04 C ATOM 1323 CD1 ILE A 85 9.330 -0.700 -1.822 1.00 0.04 C ATOM 0 H ILE A 85 9.582 -0.223 1.937 1.00 0.04 H new ATOM 0 HA ILE A 85 12.186 -0.466 1.020 1.00 0.04 H new ATOM 0 HB ILE A 85 9.782 1.133 0.098 1.00 0.04 H new ATOM 0 HG12 ILE A 85 11.177 -1.317 -0.982 1.00 0.04 H new ATOM 0 HG13 ILE A 85 9.820 -1.385 0.125 1.00 0.04 H new ATOM 0 HG21 ILE A 85 10.967 1.540 -1.960 1.00 0.04 H new ATOM 0 HG22 ILE A 85 11.759 2.333 -0.577 1.00 0.04 H new ATOM 0 HG23 ILE A 85 12.447 0.841 -1.261 1.00 0.04 H new ATOM 0 HD11 ILE A 85 9.093 -1.704 -2.174 1.00 0.04 H new ATOM 0 HD12 ILE A 85 8.414 -0.201 -1.506 1.00 0.04 H new ATOM 0 HD13 ILE A 85 9.792 -0.132 -2.629 1.00 0.04 H new ATOM 1335 N GLN A 86 11.267 2.406 2.236 1.00 0.04 N ATOM 1336 CA GLN A 86 11.699 3.642 2.758 1.00 0.05 C ATOM 1337 C GLN A 86 12.684 3.371 3.830 1.00 0.05 C ATOM 1338 O GLN A 86 13.751 3.891 3.804 1.00 0.07 O ATOM 1339 CB GLN A 86 10.532 4.396 3.340 1.00 0.06 C ATOM 1340 CG GLN A 86 9.410 4.553 2.357 1.00 0.06 C ATOM 1341 CD GLN A 86 9.019 5.979 2.106 1.00 0.07 C ATOM 1342 OE1 GLN A 86 9.635 6.563 1.114 1.00 0.09 O flip ATOM 1343 NE2 GLN A 86 8.165 6.544 2.790 1.00 0.08 N flip ATOM 0 H GLN A 86 10.263 2.248 2.321 1.00 0.04 H new ATOM 0 HA GLN A 86 12.145 4.242 1.965 1.00 0.05 H new ATOM 0 HB2 GLN A 86 10.168 3.872 4.224 1.00 0.06 H new ATOM 0 HB3 GLN A 86 10.865 5.381 3.668 1.00 0.06 H new ATOM 0 HG2 GLN A 86 9.701 4.094 1.412 1.00 0.06 H new ATOM 0 HG3 GLN A 86 8.540 4.007 2.722 1.00 0.06 H new ATOM 0 HE21 GLN A 86 7.712 6.044 3.555 1.00 0.08 H new ATOM 0 HE22 GLN A 86 7.911 7.512 2.591 1.00 0.08 H new ATOM 1352 N ASP A 87 12.295 2.485 4.723 1.00 0.05 N ATOM 1353 CA ASP A 87 13.107 2.098 5.869 1.00 0.06 C ATOM 1354 C ASP A 87 14.501 1.776 5.441 1.00 0.06 C ATOM 1355 O ASP A 87 15.460 2.371 5.896 1.00 0.08 O ATOM 1356 CB ASP A 87 12.538 0.848 6.542 1.00 0.08 C ATOM 1357 CG ASP A 87 12.226 1.058 8.008 1.00 0.20 C ATOM 1358 OD1 ASP A 87 11.050 1.278 8.353 1.00 0.40 O ATOM 1359 OD2 ASP A 87 13.163 1.007 8.833 1.00 0.39 O1- ATOM 0 H ASP A 87 11.396 2.005 4.677 1.00 0.05 H new ATOM 0 HA ASP A 87 13.103 2.939 6.563 1.00 0.06 H new ATOM 0 HB2 ASP A 87 11.629 0.544 6.022 1.00 0.08 H new ATOM 0 HB3 ASP A 87 13.252 0.031 6.441 1.00 0.08 H new ATOM 1364 N VAL A 88 14.605 0.845 4.542 1.00 0.04 N ATOM 1365 CA VAL A 88 15.891 0.351 4.169 1.00 0.04 C ATOM 1366 C VAL A 88 16.582 1.337 3.217 1.00 0.04 C ATOM 1367 O VAL A 88 17.767 1.583 3.356 1.00 0.05 O ATOM 1368 CB VAL A 88 15.799 -1.063 3.584 1.00 0.04 C ATOM 1369 CG1 VAL A 88 14.748 -1.879 4.313 1.00 0.04 C ATOM 1370 CG2 VAL A 88 15.506 -1.015 2.122 1.00 0.04 C ATOM 0 H VAL A 88 13.818 0.415 4.056 1.00 0.04 H new ATOM 0 HA VAL A 88 16.508 0.271 5.064 1.00 0.04 H new ATOM 0 HB VAL A 88 16.765 -1.549 3.721 1.00 0.04 H new ATOM 0 HG11 VAL A 88 14.700 -2.879 3.881 1.00 0.04 H new ATOM 0 HG12 VAL A 88 15.011 -1.952 5.368 1.00 0.04 H new ATOM 0 HG13 VAL A 88 13.777 -1.394 4.214 1.00 0.04 H new ATOM 0 HG21 VAL A 88 15.445 -2.030 1.730 1.00 0.04 H new ATOM 0 HG22 VAL A 88 14.557 -0.505 1.958 1.00 0.04 H new ATOM 0 HG23 VAL A 88 16.302 -0.475 1.609 1.00 0.04 H new ATOM 1380 N ASN A 89 15.815 1.947 2.298 1.00 0.05 N ATOM 1381 CA ASN A 89 16.296 3.030 1.442 1.00 0.06 C ATOM 1382 C ASN A 89 16.788 4.170 2.289 1.00 0.07 C ATOM 1383 O ASN A 89 17.690 4.919 1.917 1.00 0.09 O ATOM 1384 CB ASN A 89 15.144 3.538 0.589 1.00 0.06 C ATOM 1385 CG ASN A 89 14.796 2.615 -0.548 1.00 0.06 C ATOM 1386 OD1 ASN A 89 15.262 1.487 -0.610 1.00 0.05 O ATOM 1387 ND2 ASN A 89 13.926 3.077 -1.423 1.00 0.08 N ATOM 0 H ASN A 89 14.840 1.697 2.132 1.00 0.05 H new ATOM 0 HA ASN A 89 17.105 2.655 0.815 1.00 0.06 H new ATOM 0 HB2 ASN A 89 14.266 3.674 1.220 1.00 0.06 H new ATOM 0 HB3 ASN A 89 15.402 4.518 0.187 1.00 0.06 H new ATOM 0 HD21 ASN A 89 13.614 2.485 -2.193 1.00 0.08 H new ATOM 0 HD22 ASN A 89 13.564 4.026 -1.330 1.00 0.08 H new ATOM 1394 N ALA A 90 16.175 4.265 3.445 1.00 0.07 N ATOM 1395 CA ALA A 90 16.426 5.326 4.395 1.00 0.08 C ATOM 1396 C ALA A 90 17.755 5.109 5.063 1.00 0.09 C ATOM 1397 O ALA A 90 18.270 5.963 5.783 1.00 0.12 O ATOM 1398 CB ALA A 90 15.320 5.344 5.423 1.00 0.09 C ATOM 0 H ALA A 90 15.474 3.594 3.759 1.00 0.07 H new ATOM 0 HA ALA A 90 16.450 6.285 3.877 1.00 0.08 H new ATOM 0 HB1 ALA A 90 15.504 6.142 6.142 1.00 0.09 H new ATOM 0 HB2 ALA A 90 14.365 5.516 4.927 1.00 0.09 H new ATOM 0 HB3 ALA A 90 15.291 4.387 5.943 1.00 0.09 H new ATOM 1404 N GLN A 91 18.282 3.929 4.834 1.00 0.07 N ATOM 1405 CA GLN A 91 19.551 3.535 5.365 1.00 0.08 C ATOM 1406 C GLN A 91 20.630 3.892 4.381 1.00 0.08 C ATOM 1407 O GLN A 91 21.779 3.992 4.737 1.00 0.10 O ATOM 1408 CB GLN A 91 19.550 2.043 5.666 1.00 0.07 C ATOM 1409 CG GLN A 91 18.422 1.584 6.573 1.00 0.08 C ATOM 1410 CD GLN A 91 18.114 2.520 7.724 1.00 0.11 C ATOM 1411 OE1 GLN A 91 18.701 2.460 8.789 1.00 0.25 O ATOM 1412 NE2 GLN A 91 17.154 3.364 7.511 1.00 0.14 N ATOM 0 H GLN A 91 17.830 3.212 4.266 1.00 0.07 H new ATOM 0 HA GLN A 91 19.743 4.063 6.299 1.00 0.08 H new ATOM 0 HB2 GLN A 91 19.488 1.496 4.725 1.00 0.07 H new ATOM 0 HB3 GLN A 91 20.501 1.778 6.128 1.00 0.07 H new ATOM 0 HG2 GLN A 91 17.520 1.458 5.974 1.00 0.08 H new ATOM 0 HG3 GLN A 91 18.675 0.604 6.977 1.00 0.08 H new ATOM 0 HE21 GLN A 91 16.685 3.385 6.605 1.00 0.14 H new ATOM 0 HE22 GLN A 91 16.867 4.007 8.249 1.00 0.14 H new ATOM 1421 N PHE A 92 20.243 4.103 3.146 1.00 0.08 N ATOM 1422 CA PHE A 92 21.178 4.540 2.118 1.00 0.09 C ATOM 1423 C PHE A 92 21.104 6.020 1.892 1.00 0.11 C ATOM 1424 O PHE A 92 20.112 6.676 2.200 1.00 0.12 O ATOM 1425 CB PHE A 92 20.922 3.844 0.784 1.00 0.09 C ATOM 1426 CG PHE A 92 20.836 2.376 0.883 1.00 0.07 C ATOM 1427 CD1 PHE A 92 21.898 1.577 0.541 1.00 0.07 C ATOM 1428 CD2 PHE A 92 19.686 1.798 1.343 1.00 0.06 C ATOM 1429 CE1 PHE A 92 21.810 0.223 0.663 1.00 0.08 C ATOM 1430 CE2 PHE A 92 19.586 0.449 1.465 1.00 0.06 C ATOM 1431 CZ PHE A 92 20.652 -0.343 1.128 1.00 0.06 C ATOM 0 H PHE A 92 19.284 3.981 2.820 1.00 0.08 H new ATOM 0 HA PHE A 92 22.169 4.273 2.486 1.00 0.09 H new ATOM 0 HB2 PHE A 92 19.993 4.225 0.359 1.00 0.09 H new ATOM 0 HB3 PHE A 92 21.721 4.105 0.090 1.00 0.09 H new ATOM 0 HD1 PHE A 92 22.809 2.024 0.173 1.00 0.07 H new ATOM 0 HD2 PHE A 92 18.847 2.422 1.613 1.00 0.06 H new ATOM 0 HE1 PHE A 92 22.649 -0.401 0.394 1.00 0.08 H new ATOM 0 HE2 PHE A 92 18.671 0.003 1.826 1.00 0.06 H new ATOM 0 HZ PHE A 92 20.579 -1.416 1.229 1.00 0.06 H new ATOM 1441 N GLU A 93 22.187 6.524 1.334 1.00 0.12 N ATOM 1442 CA GLU A 93 22.291 7.903 0.959 1.00 0.14 C ATOM 1443 C GLU A 93 21.265 8.203 -0.127 1.00 0.14 C ATOM 1444 O GLU A 93 20.841 9.343 -0.326 1.00 0.16 O ATOM 1445 CB GLU A 93 23.699 8.195 0.464 1.00 0.16 C ATOM 1446 CG GLU A 93 24.786 7.802 1.458 1.00 0.17 C ATOM 1447 CD GLU A 93 26.049 8.626 1.304 1.00 0.22 C ATOM 1448 OE1 GLU A 93 26.198 9.638 2.019 1.00 0.45 O ATOM 1449 OE2 GLU A 93 26.901 8.264 0.462 1.00 0.37 O1- ATOM 0 H GLU A 93 23.022 5.975 1.130 1.00 0.12 H new ATOM 0 HA GLU A 93 22.091 8.540 1.821 1.00 0.14 H new ATOM 0 HB2 GLU A 93 23.864 7.662 -0.473 1.00 0.16 H new ATOM 0 HB3 GLU A 93 23.785 9.259 0.245 1.00 0.16 H new ATOM 0 HG2 GLU A 93 24.404 7.918 2.472 1.00 0.17 H new ATOM 0 HG3 GLU A 93 25.028 6.747 1.327 1.00 0.17 H new ATOM 1456 N LYS A 94 20.897 7.140 -0.830 1.00 0.13 N ATOM 1457 CA LYS A 94 19.851 7.156 -1.824 1.00 0.14 C ATOM 1458 C LYS A 94 19.145 5.824 -1.816 1.00 0.12 C ATOM 1459 O LYS A 94 19.769 4.789 -1.614 1.00 0.12 O ATOM 1460 CB LYS A 94 20.383 7.419 -3.219 1.00 0.21 C ATOM 1461 CG LYS A 94 21.739 6.781 -3.486 1.00 0.75 C ATOM 1462 CD LYS A 94 22.059 6.715 -4.968 1.00 1.25 C ATOM 1463 CE LYS A 94 21.224 5.659 -5.672 1.00 2.08 C ATOM 1464 NZ LYS A 94 21.597 5.521 -7.101 1.00 2.94 N1+ ATOM 0 H LYS A 94 21.333 6.225 -0.716 1.00 0.13 H new ATOM 0 HA LYS A 94 19.168 7.967 -1.570 1.00 0.14 H new ATOM 0 HB2 LYS A 94 19.665 7.045 -3.949 1.00 0.21 H new ATOM 0 HB3 LYS A 94 20.461 8.495 -3.372 1.00 0.21 H new ATOM 0 HG2 LYS A 94 22.514 7.351 -2.974 1.00 0.75 H new ATOM 0 HG3 LYS A 94 21.754 5.775 -3.068 1.00 0.75 H new ATOM 0 HD2 LYS A 94 21.877 7.688 -5.424 1.00 1.25 H new ATOM 0 HD3 LYS A 94 23.118 6.493 -5.103 1.00 1.25 H new ATOM 0 HE2 LYS A 94 21.352 4.700 -5.169 1.00 2.08 H new ATOM 0 HE3 LYS A 94 20.169 5.921 -5.596 1.00 2.08 H new ATOM 0 HZ1 LYS A 94 21.090 4.713 -7.516 1.00 2.94 H new ATOM 0 HZ2 LYS A 94 21.341 6.390 -7.612 1.00 2.94 H new ATOM 0 HZ3 LYS A 94 22.622 5.363 -7.179 1.00 2.94 H new ATOM 1478 N PRO A 95 17.845 5.855 -2.058 1.00 0.11 N ATOM 1479 CA PRO A 95 16.971 4.692 -1.984 1.00 0.09 C ATOM 1480 C PRO A 95 17.519 3.517 -2.714 1.00 0.08 C ATOM 1481 O PRO A 95 18.031 3.659 -3.824 1.00 0.10 O ATOM 1482 CB PRO A 95 15.709 5.168 -2.686 1.00 0.11 C ATOM 1483 CG PRO A 95 15.690 6.623 -2.440 1.00 0.13 C ATOM 1484 CD PRO A 95 17.130 7.046 -2.502 1.00 0.14 C ATOM 0 HA PRO A 95 16.829 4.362 -0.955 1.00 0.09 H new ATOM 0 HB2 PRO A 95 15.737 4.944 -3.752 1.00 0.11 H new ATOM 0 HB3 PRO A 95 14.820 4.683 -2.282 1.00 0.11 H new ATOM 0 HG2 PRO A 95 15.093 7.142 -3.190 1.00 0.13 H new ATOM 0 HG3 PRO A 95 15.252 6.854 -1.469 1.00 0.13 H new ATOM 0 HD2 PRO A 95 17.421 7.338 -3.511 1.00 0.14 H new ATOM 0 HD3 PRO A 95 17.327 7.900 -1.854 1.00 0.14 H new ATOM 1492 N ALA A 96 17.412 2.343 -2.133 1.00 0.06 N ATOM 1493 CA ALA A 96 17.782 1.222 -2.899 1.00 0.06 C ATOM 1494 C ALA A 96 16.738 0.144 -2.837 1.00 0.05 C ATOM 1495 O ALA A 96 17.024 -1.012 -2.564 1.00 0.05 O ATOM 1496 CB ALA A 96 19.071 0.706 -2.320 1.00 0.05 C ATOM 0 H ALA A 96 17.088 2.163 -1.183 1.00 0.06 H new ATOM 0 HA ALA A 96 17.891 1.507 -3.945 1.00 0.06 H new ATOM 0 HB1 ALA A 96 19.399 -0.167 -2.884 1.00 0.05 H new ATOM 0 HB2 ALA A 96 19.833 1.483 -2.379 1.00 0.05 H new ATOM 0 HB3 ALA A 96 18.916 0.428 -1.278 1.00 0.05 H new ATOM 1502 N ILE A 97 15.539 0.549 -3.155 1.00 0.06 N ATOM 1503 CA ILE A 97 14.508 -0.241 -3.753 1.00 0.07 C ATOM 1504 C ILE A 97 13.732 0.703 -4.579 1.00 0.08 C ATOM 1505 O ILE A 97 12.937 1.439 -4.032 1.00 0.10 O ATOM 1506 CB ILE A 97 13.583 -0.888 -2.750 1.00 0.07 C ATOM 1507 CG1 ILE A 97 14.258 -2.072 -2.132 1.00 0.06 C ATOM 1508 CG2 ILE A 97 12.244 -1.264 -3.370 1.00 0.08 C ATOM 1509 CD1 ILE A 97 14.768 -1.765 -0.766 1.00 0.05 C ATOM 0 H ILE A 97 15.240 1.510 -2.989 1.00 0.06 H new ATOM 0 HA ILE A 97 14.956 -1.061 -4.314 1.00 0.07 H new ATOM 0 HB ILE A 97 13.364 -0.163 -1.967 1.00 0.07 H new ATOM 0 HG12 ILE A 97 13.556 -2.905 -2.080 1.00 0.06 H new ATOM 0 HG13 ILE A 97 15.085 -2.391 -2.766 1.00 0.06 H new ATOM 0 HG21 ILE A 97 11.610 -1.726 -2.614 1.00 0.08 H new ATOM 0 HG22 ILE A 97 11.756 -0.368 -3.754 1.00 0.08 H new ATOM 0 HG23 ILE A 97 12.406 -1.967 -4.187 1.00 0.08 H new ATOM 0 HD11 ILE A 97 15.251 -2.649 -0.351 1.00 0.05 H new ATOM 0 HD12 ILE A 97 15.489 -0.950 -0.822 1.00 0.05 H new ATOM 0 HD13 ILE A 97 13.937 -1.471 -0.125 1.00 0.05 H new ATOM 1521 N VAL A 98 13.965 0.753 -5.825 1.00 0.09 N ATOM 1522 CA VAL A 98 13.270 1.714 -6.625 1.00 0.10 C ATOM 1523 C VAL A 98 12.697 1.038 -7.838 1.00 0.10 C ATOM 1524 O VAL A 98 13.420 0.503 -8.676 1.00 0.14 O ATOM 1525 CB VAL A 98 14.166 2.908 -6.978 1.00 0.10 C ATOM 1526 CG1 VAL A 98 14.501 3.672 -5.693 1.00 0.10 C ATOM 1527 CG2 VAL A 98 15.423 2.447 -7.688 1.00 0.11 C ATOM 0 H VAL A 98 14.621 0.154 -6.326 1.00 0.09 H new ATOM 0 HA VAL A 98 12.442 2.127 -6.049 1.00 0.10 H new ATOM 0 HB VAL A 98 13.638 3.573 -7.662 1.00 0.10 H new ATOM 0 HG11 VAL A 98 15.138 4.524 -5.932 1.00 0.10 H new ATOM 0 HG12 VAL A 98 13.580 4.026 -5.230 1.00 0.10 H new ATOM 0 HG13 VAL A 98 15.024 3.010 -5.002 1.00 0.10 H new ATOM 0 HG21 VAL A 98 16.043 3.311 -7.928 1.00 0.11 H new ATOM 0 HG22 VAL A 98 15.980 1.770 -7.040 1.00 0.11 H new ATOM 0 HG23 VAL A 98 15.152 1.928 -8.607 1.00 0.11 H new ATOM 1537 N ASP A 99 11.380 1.016 -7.864 1.00 0.09 N ATOM 1538 CA ASP A 99 10.617 0.265 -8.862 1.00 0.11 C ATOM 1539 C ASP A 99 10.697 -1.223 -8.543 1.00 0.09 C ATOM 1540 O ASP A 99 10.892 -2.063 -9.418 1.00 0.11 O ATOM 1541 CB ASP A 99 11.124 0.535 -10.282 1.00 0.14 C ATOM 1542 CG ASP A 99 10.209 0.000 -11.372 1.00 0.31 C ATOM 1543 OD1 ASP A 99 10.603 -0.959 -12.075 1.00 0.53 O ATOM 1544 OD2 ASP A 99 9.102 0.553 -11.549 1.00 0.52 O1- ATOM 0 H ASP A 99 10.798 1.518 -7.194 1.00 0.09 H new ATOM 0 HA ASP A 99 9.579 0.594 -8.821 1.00 0.11 H new ATOM 0 HB2 ASP A 99 11.244 1.610 -10.417 1.00 0.14 H new ATOM 0 HB3 ASP A 99 12.111 0.087 -10.397 1.00 0.14 H new ATOM 1549 N GLY A 100 10.553 -1.539 -7.261 1.00 0.07 N ATOM 1550 CA GLY A 100 10.599 -2.916 -6.820 1.00 0.08 C ATOM 1551 C GLY A 100 11.955 -3.546 -6.996 1.00 0.08 C ATOM 1552 O GLY A 100 12.128 -4.733 -6.745 1.00 0.10 O ATOM 0 H GLY A 100 10.404 -0.858 -6.516 1.00 0.07 H new ATOM 0 HA2 GLY A 100 10.316 -2.964 -5.769 1.00 0.08 H new ATOM 0 HA3 GLY A 100 9.861 -3.494 -7.376 1.00 0.08 H new ATOM 1556 N VAL A 101 12.910 -2.767 -7.453 1.00 0.08 N ATOM 1557 CA VAL A 101 14.239 -3.259 -7.640 1.00 0.09 C ATOM 1558 C VAL A 101 15.233 -2.356 -6.972 1.00 0.08 C ATOM 1559 O VAL A 101 15.178 -1.136 -7.057 1.00 0.09 O ATOM 1560 CB VAL A 101 14.582 -3.442 -9.125 1.00 0.11 C ATOM 1561 CG1 VAL A 101 14.452 -2.132 -9.893 1.00 0.12 C ATOM 1562 CG2 VAL A 101 15.978 -4.027 -9.265 1.00 0.15 C ATOM 0 H VAL A 101 12.781 -1.786 -7.701 1.00 0.08 H new ATOM 0 HA VAL A 101 14.291 -4.243 -7.174 1.00 0.09 H new ATOM 0 HB VAL A 101 13.866 -4.139 -9.561 1.00 0.11 H new ATOM 0 HG11 VAL A 101 14.702 -2.298 -10.941 1.00 0.12 H new ATOM 0 HG12 VAL A 101 13.428 -1.766 -9.818 1.00 0.12 H new ATOM 0 HG13 VAL A 101 15.133 -1.393 -9.470 1.00 0.12 H new ATOM 0 HG21 VAL A 101 16.215 -4.154 -10.321 1.00 0.15 H new ATOM 0 HG22 VAL A 101 16.703 -3.352 -8.809 1.00 0.15 H new ATOM 0 HG23 VAL A 101 16.019 -4.995 -8.765 1.00 0.15 H new ATOM 1572 N LEU A 102 16.135 -3.000 -6.314 1.00 0.07 N ATOM 1573 CA LEU A 102 17.134 -2.372 -5.522 1.00 0.07 C ATOM 1574 C LEU A 102 18.118 -1.585 -6.372 1.00 0.09 C ATOM 1575 O LEU A 102 18.356 -1.884 -7.545 1.00 0.11 O ATOM 1576 CB LEU A 102 17.844 -3.479 -4.775 1.00 0.07 C ATOM 1577 CG LEU A 102 19.334 -3.272 -4.527 1.00 0.07 C ATOM 1578 CD1 LEU A 102 19.548 -2.311 -3.380 1.00 0.06 C ATOM 1579 CD2 LEU A 102 20.036 -4.586 -4.253 1.00 0.07 C ATOM 0 H LEU A 102 16.198 -4.018 -6.314 1.00 0.07 H new ATOM 0 HA LEU A 102 16.680 -1.653 -4.840 1.00 0.07 H new ATOM 0 HB2 LEU A 102 17.351 -3.614 -3.812 1.00 0.07 H new ATOM 0 HB3 LEU A 102 17.715 -4.407 -5.332 1.00 0.07 H new ATOM 0 HG LEU A 102 19.767 -2.844 -5.431 1.00 0.07 H new ATOM 0 HD11 LEU A 102 20.617 -2.173 -3.215 1.00 0.06 H new ATOM 0 HD12 LEU A 102 19.091 -1.351 -3.620 1.00 0.06 H new ATOM 0 HD13 LEU A 102 19.091 -2.715 -2.477 1.00 0.06 H new ATOM 0 HD21 LEU A 102 21.097 -4.403 -4.080 1.00 0.07 H new ATOM 0 HD22 LEU A 102 19.600 -5.054 -3.370 1.00 0.07 H new ATOM 0 HD23 LEU A 102 19.917 -5.248 -5.111 1.00 0.07 H new ATOM 1591 N ASP A 103 18.683 -0.592 -5.740 1.00 0.09 N ATOM 1592 CA ASP A 103 19.707 0.231 -6.329 1.00 0.11 C ATOM 1593 C ASP A 103 21.013 -0.153 -5.698 1.00 0.11 C ATOM 1594 O ASP A 103 21.363 0.353 -4.655 1.00 0.10 O ATOM 1595 CB ASP A 103 19.473 1.695 -6.015 1.00 0.13 C ATOM 1596 CG ASP A 103 19.699 2.610 -7.203 1.00 0.20 C ATOM 1597 OD1 ASP A 103 18.712 2.986 -7.865 1.00 0.46 O ATOM 1598 OD2 ASP A 103 20.861 2.978 -7.467 1.00 0.48 O1- ATOM 0 H ASP A 103 18.441 -0.327 -4.785 1.00 0.09 H new ATOM 0 HA ASP A 103 19.702 0.087 -7.409 1.00 0.11 H new ATOM 0 HB2 ASP A 103 18.452 1.823 -5.656 1.00 0.13 H new ATOM 0 HB3 ASP A 103 20.136 1.995 -5.203 1.00 0.13 H new ATOM 1603 N THR A 104 21.723 -1.032 -6.333 1.00 0.12 N ATOM 1604 CA THR A 104 23.005 -1.519 -5.840 1.00 0.14 C ATOM 1605 C THR A 104 24.024 -0.418 -5.915 1.00 0.16 C ATOM 1606 O THR A 104 25.137 -0.507 -5.398 1.00 0.19 O ATOM 1607 CB THR A 104 23.466 -2.711 -6.667 1.00 0.16 C ATOM 1608 OG1 THR A 104 24.200 -2.281 -7.825 1.00 0.20 O ATOM 1609 CG2 THR A 104 22.247 -3.467 -7.119 1.00 0.16 C ATOM 0 H THR A 104 21.439 -1.446 -7.221 1.00 0.12 H new ATOM 0 HA THR A 104 22.892 -1.835 -4.803 1.00 0.14 H new ATOM 0 HB THR A 104 24.118 -3.338 -6.058 1.00 0.16 H new ATOM 0 HG1 THR A 104 24.487 -3.064 -8.340 1.00 0.20 H new ATOM 0 HG21 THR A 104 22.552 -4.327 -7.715 1.00 0.16 H new ATOM 0 HG22 THR A 104 21.687 -3.809 -6.248 1.00 0.16 H new ATOM 0 HG23 THR A 104 21.617 -2.814 -7.722 1.00 0.16 H new ATOM 1617 N ASN A 105 23.596 0.622 -6.574 1.00 0.16 N ATOM 1618 CA ASN A 105 24.384 1.812 -6.749 1.00 0.20 C ATOM 1619 C ASN A 105 24.212 2.712 -5.552 1.00 0.19 C ATOM 1620 O ASN A 105 24.826 3.775 -5.440 1.00 0.26 O ATOM 1621 CB ASN A 105 23.930 2.534 -7.997 1.00 0.26 C ATOM 1622 CG ASN A 105 25.059 3.236 -8.712 1.00 0.37 C ATOM 1623 OD1 ASN A 105 25.325 4.414 -8.480 1.00 0.70 O ATOM 1624 ND2 ASN A 105 25.735 2.513 -9.580 1.00 0.90 N ATOM 0 H ASN A 105 22.676 0.669 -7.012 1.00 0.16 H new ATOM 0 HA ASN A 105 25.435 1.542 -6.847 1.00 0.20 H new ATOM 0 HB2 ASN A 105 23.465 1.819 -8.676 1.00 0.26 H new ATOM 0 HB3 ASN A 105 23.165 3.264 -7.731 1.00 0.26 H new ATOM 0 HD21 ASN A 105 26.514 2.927 -10.091 1.00 0.90 H new ATOM 0 HD22 ASN A 105 25.479 1.539 -9.741 1.00 0.90 H new ATOM 1631 N ALA A 106 23.349 2.266 -4.672 1.00 0.14 N ATOM 1632 CA ALA A 106 23.025 3.013 -3.460 1.00 0.13 C ATOM 1633 C ALA A 106 24.141 2.946 -2.454 1.00 0.14 C ATOM 1634 O ALA A 106 25.150 2.267 -2.643 1.00 0.20 O ATOM 1635 CB ALA A 106 21.730 2.529 -2.841 1.00 0.10 C ATOM 0 H ALA A 106 22.849 1.382 -4.766 1.00 0.14 H new ATOM 0 HA ALA A 106 22.895 4.054 -3.754 1.00 0.13 H new ATOM 0 HB1 ALA A 106 21.519 3.106 -1.941 1.00 0.10 H new ATOM 0 HB2 ALA A 106 20.916 2.658 -3.554 1.00 0.10 H new ATOM 0 HB3 ALA A 106 21.822 1.474 -2.582 1.00 0.10 H new ATOM 1641 N LYS A 107 23.934 3.657 -1.378 1.00 0.13 N ATOM 1642 CA LYS A 107 24.969 3.891 -0.410 1.00 0.14 C ATOM 1643 C LYS A 107 24.462 3.721 0.988 1.00 0.12 C ATOM 1644 O LYS A 107 23.939 4.659 1.564 1.00 0.12 O ATOM 1645 CB LYS A 107 25.489 5.301 -0.571 1.00 0.17 C ATOM 1646 CG LYS A 107 26.614 5.413 -1.556 1.00 0.25 C ATOM 1647 CD LYS A 107 27.803 4.602 -1.073 1.00 0.80 C ATOM 1648 CE LYS A 107 28.317 5.113 0.264 1.00 1.20 C ATOM 1649 NZ LYS A 107 29.557 4.405 0.684 1.00 1.99 N1+ ATOM 0 H LYS A 107 23.040 4.091 -1.148 1.00 0.13 H new ATOM 0 HA LYS A 107 25.762 3.163 -0.580 1.00 0.14 H new ATOM 0 HB2 LYS A 107 24.671 5.947 -0.890 1.00 0.17 H new ATOM 0 HB3 LYS A 107 25.827 5.668 0.398 1.00 0.17 H new ATOM 0 HG2 LYS A 107 26.291 5.055 -2.533 1.00 0.25 H new ATOM 0 HG3 LYS A 107 26.900 6.458 -1.678 1.00 0.25 H new ATOM 0 HD2 LYS A 107 27.516 3.555 -0.978 1.00 0.80 H new ATOM 0 HD3 LYS A 107 28.602 4.648 -1.813 1.00 0.80 H new ATOM 0 HE2 LYS A 107 28.515 6.183 0.193 1.00 1.20 H new ATOM 0 HE3 LYS A 107 27.547 4.981 1.024 1.00 1.20 H new ATOM 0 HZ1 LYS A 107 29.878 4.780 1.599 1.00 1.99 H new ATOM 0 HZ2 LYS A 107 29.362 3.388 0.776 1.00 1.99 H new ATOM 0 HZ3 LYS A 107 30.299 4.552 -0.029 1.00 1.99 H new ATOM 1663 N ALA A 108 24.632 2.543 1.542 1.00 0.11 N ATOM 1664 CA ALA A 108 24.154 2.283 2.883 1.00 0.10 C ATOM 1665 C ALA A 108 24.893 3.180 3.865 1.00 0.11 C ATOM 1666 O ALA A 108 26.042 2.919 4.225 1.00 0.13 O ATOM 1667 CB ALA A 108 24.315 0.814 3.229 1.00 0.10 C ATOM 0 H ALA A 108 25.094 1.754 1.090 1.00 0.11 H new ATOM 0 HA ALA A 108 23.090 2.512 2.944 1.00 0.10 H new ATOM 0 HB1 ALA A 108 23.951 0.636 4.241 1.00 0.10 H new ATOM 0 HB2 ALA A 108 23.742 0.210 2.526 1.00 0.10 H new ATOM 0 HB3 ALA A 108 25.368 0.539 3.169 1.00 0.10 H new ATOM 1673 N LYS A 109 24.215 4.263 4.238 1.00 0.11 N ATOM 1674 CA LYS A 109 24.730 5.293 5.125 1.00 0.13 C ATOM 1675 C LYS A 109 25.438 4.732 6.350 1.00 0.15 C ATOM 1676 O LYS A 109 25.256 3.576 6.730 1.00 0.14 O ATOM 1677 CB LYS A 109 23.574 6.169 5.593 1.00 0.14 C ATOM 1678 CG LYS A 109 23.229 7.243 4.595 1.00 0.15 C ATOM 1679 CD LYS A 109 22.126 8.161 5.087 1.00 0.17 C ATOM 1680 CE LYS A 109 20.783 7.473 5.012 1.00 0.16 C ATOM 1681 NZ LYS A 109 19.674 8.354 5.462 1.00 0.26 N1+ ATOM 0 H LYS A 109 23.264 4.450 3.920 1.00 0.11 H new ATOM 0 HA LYS A 109 25.465 5.863 4.556 1.00 0.13 H new ATOM 0 HB2 LYS A 109 22.697 5.546 5.770 1.00 0.14 H new ATOM 0 HB3 LYS A 109 23.834 6.631 6.545 1.00 0.14 H new ATOM 0 HG2 LYS A 109 24.119 7.834 4.379 1.00 0.15 H new ATOM 0 HG3 LYS A 109 22.920 6.779 3.659 1.00 0.15 H new ATOM 0 HD2 LYS A 109 22.329 8.462 6.115 1.00 0.17 H new ATOM 0 HD3 LYS A 109 22.108 9.070 4.486 1.00 0.17 H new ATOM 0 HE2 LYS A 109 20.597 7.153 3.987 1.00 0.16 H new ATOM 0 HE3 LYS A 109 20.803 6.574 5.628 1.00 0.16 H new ATOM 0 HZ1 LYS A 109 18.845 7.774 5.702 1.00 0.26 H new ATOM 0 HZ2 LYS A 109 19.975 8.890 6.301 1.00 0.26 H new ATOM 0 HZ3 LYS A 109 19.425 9.015 4.699 1.00 0.26 H new ATOM 1695 N SER A 110 26.203 5.592 6.997 1.00 0.19 N ATOM 1696 CA SER A 110 26.868 5.254 8.244 1.00 0.22 C ATOM 1697 C SER A 110 25.849 5.173 9.372 1.00 0.23 C ATOM 1698 O SER A 110 26.184 4.923 10.528 1.00 0.26 O ATOM 1699 CB SER A 110 27.927 6.301 8.562 1.00 0.27 C ATOM 1700 OG SER A 110 28.717 6.595 7.415 1.00 0.29 O ATOM 0 H SER A 110 26.381 6.543 6.674 1.00 0.19 H new ATOM 0 HA SER A 110 27.352 4.283 8.141 1.00 0.22 H new ATOM 0 HB2 SER A 110 27.447 7.212 8.920 1.00 0.27 H new ATOM 0 HB3 SER A 110 28.568 5.942 9.367 1.00 0.27 H new ATOM 0 HG SER A 110 29.388 7.271 7.645 1.00 0.29 H new ATOM 1706 N ASP A 111 24.602 5.398 9.009 1.00 0.21 N ATOM 1707 CA ASP A 111 23.509 5.387 9.945 1.00 0.23 C ATOM 1708 C ASP A 111 22.569 4.247 9.608 1.00 0.19 C ATOM 1709 O ASP A 111 21.687 3.908 10.399 1.00 0.21 O ATOM 1710 CB ASP A 111 22.755 6.716 9.902 1.00 0.28 C ATOM 1711 CG ASP A 111 23.540 7.857 10.510 1.00 0.77 C ATOM 1712 OD1 ASP A 111 24.587 8.233 9.947 1.00 1.51 O ATOM 1713 OD2 ASP A 111 23.105 8.398 11.548 1.00 0.70 O1- ATOM 0 H ASP A 111 24.323 5.594 8.048 1.00 0.21 H new ATOM 0 HA ASP A 111 23.904 5.248 10.951 1.00 0.23 H new ATOM 0 HB2 ASP A 111 22.514 6.958 8.867 1.00 0.28 H new ATOM 0 HB3 ASP A 111 21.809 6.609 10.433 1.00 0.28 H new ATOM 1718 N ALA A 112 22.741 3.687 8.403 1.00 0.14 N ATOM 1719 CA ALA A 112 21.997 2.513 7.982 1.00 0.11 C ATOM 1720 C ALA A 112 21.964 1.449 9.056 1.00 0.12 C ATOM 1721 O ALA A 112 22.979 0.880 9.455 1.00 0.15 O ATOM 1722 CB ALA A 112 22.576 1.929 6.708 1.00 0.10 C ATOM 0 H ALA A 112 23.396 4.038 7.705 1.00 0.14 H new ATOM 0 HA ALA A 112 20.975 2.842 7.795 1.00 0.11 H new ATOM 0 HB1 ALA A 112 22.000 1.051 6.415 1.00 0.10 H new ATOM 0 HB2 ALA A 112 22.531 2.674 5.913 1.00 0.10 H new ATOM 0 HB3 ALA A 112 23.614 1.642 6.878 1.00 0.10 H new ATOM 1728 N LYS A 113 20.766 1.216 9.495 1.00 0.11 N ATOM 1729 CA LYS A 113 20.447 0.239 10.495 1.00 0.13 C ATOM 1730 C LYS A 113 19.237 -0.537 10.027 1.00 0.12 C ATOM 1731 O LYS A 113 18.103 -0.071 10.128 1.00 0.13 O ATOM 1732 CB LYS A 113 20.135 0.943 11.795 1.00 0.15 C ATOM 1733 CG LYS A 113 20.733 0.259 13.012 1.00 0.24 C ATOM 1734 CD LYS A 113 20.243 0.879 14.313 1.00 0.34 C ATOM 1735 CE LYS A 113 20.639 2.343 14.434 1.00 1.46 C ATOM 1736 NZ LYS A 113 20.164 2.940 15.712 1.00 2.22 N1+ ATOM 0 H LYS A 113 19.948 1.721 9.153 1.00 0.11 H new ATOM 0 HA LYS A 113 21.286 -0.439 10.652 1.00 0.13 H new ATOM 0 HB2 LYS A 113 20.507 1.966 11.743 1.00 0.15 H new ATOM 0 HB3 LYS A 113 19.053 1.003 11.916 1.00 0.15 H new ATOM 0 HG2 LYS A 113 20.476 -0.800 12.996 1.00 0.24 H new ATOM 0 HG3 LYS A 113 21.820 0.324 12.967 1.00 0.24 H new ATOM 0 HD2 LYS A 113 19.158 0.792 14.370 1.00 0.34 H new ATOM 0 HD3 LYS A 113 20.652 0.322 15.156 1.00 0.34 H new ATOM 0 HE2 LYS A 113 21.724 2.433 14.372 1.00 1.46 H new ATOM 0 HE3 LYS A 113 20.224 2.902 13.595 1.00 1.46 H new ATOM 0 HZ1 LYS A 113 20.453 3.938 15.758 1.00 2.22 H new ATOM 0 HZ2 LYS A 113 19.127 2.877 15.760 1.00 2.22 H new ATOM 0 HZ3 LYS A 113 20.580 2.422 16.513 1.00 2.22 H new ATOM 1750 N PHE A 114 19.483 -1.708 9.511 1.00 0.11 N ATOM 1751 CA PHE A 114 18.465 -2.441 8.794 1.00 0.10 C ATOM 1752 C PHE A 114 17.620 -3.343 9.663 1.00 0.12 C ATOM 1753 O PHE A 114 18.010 -3.764 10.753 1.00 0.15 O ATOM 1754 CB PHE A 114 19.100 -3.253 7.697 1.00 0.08 C ATOM 1755 CG PHE A 114 19.601 -2.403 6.594 1.00 0.07 C ATOM 1756 CD1 PHE A 114 20.878 -1.884 6.644 1.00 0.07 C ATOM 1757 CD2 PHE A 114 18.798 -2.122 5.511 1.00 0.05 C ATOM 1758 CE1 PHE A 114 21.347 -1.096 5.633 1.00 0.07 C ATOM 1759 CE2 PHE A 114 19.261 -1.333 4.492 1.00 0.05 C ATOM 1760 CZ PHE A 114 20.526 -0.829 4.537 1.00 0.06 C ATOM 0 H PHE A 114 20.384 -2.182 9.571 1.00 0.11 H new ATOM 0 HA PHE A 114 17.788 -1.690 8.385 1.00 0.10 H new ATOM 0 HB2 PHE A 114 19.924 -3.835 8.108 1.00 0.08 H new ATOM 0 HB3 PHE A 114 18.372 -3.963 7.305 1.00 0.08 H new ATOM 0 HD1 PHE A 114 21.512 -2.103 7.490 1.00 0.07 H new ATOM 0 HD2 PHE A 114 17.798 -2.526 5.465 1.00 0.05 H new ATOM 0 HE1 PHE A 114 22.344 -0.683 5.681 1.00 0.07 H new ATOM 0 HE2 PHE A 114 18.622 -1.110 3.651 1.00 0.05 H new ATOM 0 HZ PHE A 114 20.894 -0.222 3.723 1.00 0.06 H new ATOM 1770 N THR A 115 16.444 -3.598 9.141 1.00 0.12 N ATOM 1771 CA THR A 115 15.507 -4.543 9.684 1.00 0.13 C ATOM 1772 C THR A 115 15.067 -5.454 8.570 1.00 0.13 C ATOM 1773 O THR A 115 14.790 -4.998 7.460 1.00 0.13 O ATOM 1774 CB THR A 115 14.296 -3.828 10.312 1.00 0.15 C ATOM 1775 OG1 THR A 115 14.061 -2.580 9.639 1.00 0.15 O ATOM 1776 CG2 THR A 115 14.524 -3.573 11.791 1.00 0.20 C ATOM 0 H THR A 115 16.105 -3.136 8.298 1.00 0.12 H new ATOM 0 HA THR A 115 15.983 -5.119 10.477 1.00 0.13 H new ATOM 0 HB THR A 115 13.424 -4.473 10.201 1.00 0.15 H new ATOM 0 HG1 THR A 115 13.289 -2.131 10.042 1.00 0.15 H new ATOM 0 HG21 THR A 115 13.655 -3.067 12.211 1.00 0.20 H new ATOM 0 HG22 THR A 115 14.675 -4.522 12.305 1.00 0.20 H new ATOM 0 HG23 THR A 115 15.406 -2.946 11.920 1.00 0.20 H new ATOM 1784 N ASP A 116 15.085 -6.739 8.851 1.00 0.16 N ATOM 1785 CA ASP A 116 14.621 -7.742 7.919 1.00 0.18 C ATOM 1786 C ASP A 116 13.121 -7.636 7.807 1.00 0.17 C ATOM 1787 O ASP A 116 12.357 -8.444 8.339 1.00 0.23 O ATOM 1788 CB ASP A 116 15.053 -9.118 8.396 1.00 0.24 C ATOM 1789 CG ASP A 116 14.516 -10.251 7.542 1.00 0.80 C ATOM 1790 OD1 ASP A 116 13.862 -11.158 8.095 1.00 1.36 O ATOM 1791 OD2 ASP A 116 14.711 -10.218 6.308 1.00 0.88 O1- ATOM 0 H ASP A 116 15.423 -7.118 9.735 1.00 0.16 H new ATOM 0 HA ASP A 116 15.056 -7.584 6.932 1.00 0.18 H new ATOM 0 HB2 ASP A 116 16.142 -9.165 8.405 1.00 0.24 H new ATOM 0 HB3 ASP A 116 14.719 -9.259 9.424 1.00 0.24 H new ATOM 1796 N ILE A 117 12.728 -6.579 7.146 1.00 0.14 N ATOM 1797 CA ILE A 117 11.354 -6.190 7.059 1.00 0.13 C ATOM 1798 C ILE A 117 10.546 -7.128 6.209 1.00 0.15 C ATOM 1799 O ILE A 117 10.835 -7.351 5.037 1.00 0.18 O ATOM 1800 CB ILE A 117 11.211 -4.761 6.540 1.00 0.12 C ATOM 1801 CG1 ILE A 117 11.833 -3.826 7.562 1.00 0.12 C ATOM 1802 CG2 ILE A 117 9.745 -4.420 6.294 1.00 0.12 C ATOM 1803 CD1 ILE A 117 11.548 -2.366 7.313 1.00 0.12 C ATOM 0 H ILE A 117 13.366 -5.959 6.648 1.00 0.14 H new ATOM 0 HA ILE A 117 10.959 -6.237 8.074 1.00 0.13 H new ATOM 0 HB ILE A 117 11.725 -4.653 5.585 1.00 0.12 H new ATOM 0 HG12 ILE A 117 11.467 -4.093 8.553 1.00 0.12 H new ATOM 0 HG13 ILE A 117 12.912 -3.979 7.569 1.00 0.12 H new ATOM 0 HG21 ILE A 117 9.666 -3.397 5.925 1.00 0.12 H new ATOM 0 HG22 ILE A 117 9.331 -5.106 5.555 1.00 0.12 H new ATOM 0 HG23 ILE A 117 9.188 -4.513 7.227 1.00 0.12 H new ATOM 0 HD11 ILE A 117 12.027 -1.765 8.086 1.00 0.12 H new ATOM 0 HD12 ILE A 117 11.939 -2.080 6.337 1.00 0.12 H new ATOM 0 HD13 ILE A 117 10.472 -2.196 7.336 1.00 0.12 H new ATOM 1815 N LYS A 118 9.560 -7.703 6.842 1.00 0.14 N ATOM 1816 CA LYS A 118 8.557 -8.457 6.149 1.00 0.16 C ATOM 1817 C LYS A 118 7.288 -7.673 6.083 1.00 0.14 C ATOM 1818 O LYS A 118 6.532 -7.548 7.052 1.00 0.22 O ATOM 1819 CB LYS A 118 8.314 -9.783 6.822 1.00 0.23 C ATOM 1820 CG LYS A 118 9.588 -10.543 6.988 1.00 0.30 C ATOM 1821 CD LYS A 118 10.059 -11.173 5.692 1.00 0.38 C ATOM 1822 CE LYS A 118 11.252 -12.082 5.932 1.00 1.10 C ATOM 1823 NZ LYS A 118 11.737 -12.722 4.681 1.00 1.87 N1+ ATOM 0 H LYS A 118 9.431 -7.661 7.853 1.00 0.14 H new ATOM 0 HA LYS A 118 8.913 -8.652 5.137 1.00 0.16 H new ATOM 0 HB2 LYS A 118 7.854 -9.621 7.797 1.00 0.23 H new ATOM 0 HB3 LYS A 118 7.611 -10.370 6.232 1.00 0.23 H new ATOM 0 HG2 LYS A 118 10.361 -9.873 7.365 1.00 0.30 H new ATOM 0 HG3 LYS A 118 9.448 -11.322 7.738 1.00 0.30 H new ATOM 0 HD2 LYS A 118 9.246 -11.744 5.244 1.00 0.38 H new ATOM 0 HD3 LYS A 118 10.329 -10.392 4.981 1.00 0.38 H new ATOM 0 HE2 LYS A 118 12.061 -11.505 6.379 1.00 1.10 H new ATOM 0 HE3 LYS A 118 10.978 -12.855 6.650 1.00 1.10 H new ATOM 0 HZ1 LYS A 118 12.551 -13.332 4.896 1.00 1.87 H new ATOM 0 HZ2 LYS A 118 10.975 -13.295 4.266 1.00 1.87 H new ATOM 0 HZ3 LYS A 118 12.025 -11.987 4.004 1.00 1.87 H new ATOM 1837 N THR A 119 7.089 -7.140 4.927 1.00 0.10 N ATOM 1838 CA THR A 119 5.886 -6.435 4.587 1.00 0.09 C ATOM 1839 C THR A 119 4.810 -7.440 4.306 1.00 0.12 C ATOM 1840 O THR A 119 3.625 -7.112 4.199 1.00 0.16 O ATOM 1841 CB THR A 119 6.132 -5.630 3.326 1.00 0.07 C ATOM 1842 OG1 THR A 119 6.371 -6.516 2.228 1.00 0.08 O ATOM 1843 CG2 THR A 119 7.330 -4.764 3.518 1.00 0.06 C ATOM 0 H THR A 119 7.770 -7.179 4.169 1.00 0.10 H new ATOM 0 HA THR A 119 5.591 -5.776 5.404 1.00 0.09 H new ATOM 0 HB THR A 119 5.257 -5.014 3.117 1.00 0.07 H new ATOM 0 HG1 THR A 119 7.319 -6.762 2.207 1.00 0.08 H new ATOM 0 HG21 THR A 119 7.509 -4.184 2.612 1.00 0.06 H new ATOM 0 HG22 THR A 119 7.159 -4.087 4.355 1.00 0.06 H new ATOM 0 HG23 THR A 119 8.200 -5.387 3.727 1.00 0.06 H new ATOM 1851 N GLY A 120 5.250 -8.677 4.163 1.00 0.13 N ATOM 1852 CA GLY A 120 4.367 -9.694 3.693 1.00 0.14 C ATOM 1853 C GLY A 120 4.477 -9.850 2.195 1.00 0.13 C ATOM 1854 O GLY A 120 4.084 -10.873 1.629 1.00 0.18 O ATOM 0 H GLY A 120 6.201 -8.985 4.366 1.00 0.13 H new ATOM 0 HA2 GLY A 120 4.603 -10.640 4.180 1.00 0.14 H new ATOM 0 HA3 GLY A 120 3.341 -9.444 3.963 1.00 0.14 H new ATOM 1858 N ASN A 121 5.017 -8.822 1.549 1.00 0.10 N ATOM 1859 CA ASN A 121 5.302 -8.873 0.133 1.00 0.10 C ATOM 1860 C ASN A 121 6.696 -9.418 -0.041 1.00 0.16 C ATOM 1861 O ASN A 121 7.647 -8.671 -0.136 1.00 0.30 O ATOM 1862 CB ASN A 121 5.216 -7.475 -0.479 1.00 0.11 C ATOM 1863 CG ASN A 121 5.328 -7.486 -1.982 1.00 0.16 C ATOM 1864 OD1 ASN A 121 5.128 -8.512 -2.631 1.00 0.45 O ATOM 1865 ND2 ASN A 121 5.607 -6.327 -2.545 1.00 0.13 N ATOM 0 H ASN A 121 5.265 -7.939 1.995 1.00 0.10 H new ATOM 0 HA ASN A 121 4.574 -9.510 -0.370 1.00 0.10 H new ATOM 0 HB2 ASN A 121 4.269 -7.016 -0.193 1.00 0.11 H new ATOM 0 HB3 ASN A 121 6.009 -6.853 -0.065 1.00 0.11 H new ATOM 0 HD21 ASN A 121 5.665 -6.254 -3.561 1.00 0.13 H new ATOM 0 HD22 ASN A 121 5.765 -5.503 -1.965 1.00 0.13 H new ATOM 1872 N THR A 122 6.789 -10.737 -0.080 1.00 0.15 N ATOM 1873 CA THR A 122 8.055 -11.442 -0.101 1.00 0.16 C ATOM 1874 C THR A 122 9.032 -10.906 -1.123 1.00 0.12 C ATOM 1875 O THR A 122 10.146 -10.612 -0.795 1.00 0.11 O ATOM 1876 CB THR A 122 7.835 -12.902 -0.389 1.00 0.20 C ATOM 1877 OG1 THR A 122 6.885 -13.445 0.535 1.00 0.26 O ATOM 1878 CG2 THR A 122 9.151 -13.636 -0.300 1.00 0.19 C ATOM 0 H THR A 122 5.976 -11.353 -0.098 1.00 0.15 H new ATOM 0 HA THR A 122 8.488 -11.292 0.888 1.00 0.16 H new ATOM 0 HB THR A 122 7.436 -13.020 -1.396 1.00 0.20 H new ATOM 0 HG1 THR A 122 6.746 -14.395 0.340 1.00 0.26 H new ATOM 0 HG21 THR A 122 8.992 -14.694 -0.509 1.00 0.19 H new ATOM 0 HG22 THR A 122 9.848 -13.223 -1.029 1.00 0.19 H new ATOM 0 HG23 THR A 122 9.564 -13.522 0.702 1.00 0.19 H new ATOM 1886 N GLU A 123 8.613 -10.817 -2.355 1.00 0.14 N ATOM 1887 CA GLU A 123 9.458 -10.311 -3.430 1.00 0.14 C ATOM 1888 C GLU A 123 10.009 -8.959 -3.072 1.00 0.11 C ATOM 1889 O GLU A 123 11.157 -8.651 -3.359 1.00 0.15 O ATOM 1890 CB GLU A 123 8.651 -10.208 -4.703 1.00 0.21 C ATOM 1891 CG GLU A 123 7.932 -11.488 -5.039 1.00 0.30 C ATOM 1892 CD GLU A 123 8.453 -12.123 -6.310 1.00 1.16 C ATOM 1893 OE1 GLU A 123 9.528 -12.762 -6.262 1.00 1.66 O ATOM 1894 OE2 GLU A 123 7.801 -11.979 -7.364 1.00 1.46 O1- ATOM 0 H GLU A 123 7.677 -11.091 -2.654 1.00 0.14 H new ATOM 0 HA GLU A 123 10.289 -11.001 -3.578 1.00 0.14 H new ATOM 0 HB2 GLU A 123 7.923 -9.403 -4.603 1.00 0.21 H new ATOM 0 HB3 GLU A 123 9.312 -9.940 -5.527 1.00 0.21 H new ATOM 0 HG2 GLU A 123 8.041 -12.191 -4.213 1.00 0.30 H new ATOM 0 HG3 GLU A 123 6.866 -11.286 -5.147 1.00 0.30 H new ATOM 1901 N LEU A 124 9.190 -8.181 -2.403 1.00 0.09 N ATOM 1902 CA LEU A 124 9.599 -6.894 -1.905 1.00 0.07 C ATOM 1903 C LEU A 124 10.527 -7.104 -0.745 1.00 0.08 C ATOM 1904 O LEU A 124 11.559 -6.488 -0.647 1.00 0.08 O ATOM 1905 CB LEU A 124 8.402 -6.130 -1.411 1.00 0.07 C ATOM 1906 CG LEU A 124 8.749 -5.000 -0.482 1.00 0.05 C ATOM 1907 CD1 LEU A 124 9.477 -3.938 -1.242 1.00 0.04 C ATOM 1908 CD2 LEU A 124 7.510 -4.465 0.169 1.00 0.05 C ATOM 0 H LEU A 124 8.223 -8.425 -2.190 1.00 0.09 H new ATOM 0 HA LEU A 124 10.088 -6.337 -2.705 1.00 0.07 H new ATOM 0 HB2 LEU A 124 7.858 -5.731 -2.267 1.00 0.07 H new ATOM 0 HB3 LEU A 124 7.729 -6.817 -0.898 1.00 0.07 H new ATOM 0 HG LEU A 124 9.403 -5.362 0.311 1.00 0.05 H new ATOM 0 HD11 LEU A 124 9.729 -3.118 -0.570 1.00 0.04 H new ATOM 0 HD12 LEU A 124 10.391 -4.355 -1.665 1.00 0.04 H new ATOM 0 HD13 LEU A 124 8.842 -3.566 -2.046 1.00 0.04 H new ATOM 0 HD21 LEU A 124 7.775 -3.647 0.839 1.00 0.05 H new ATOM 0 HD22 LEU A 124 6.826 -4.099 -0.597 1.00 0.05 H new ATOM 0 HD23 LEU A 124 7.027 -5.259 0.739 1.00 0.05 H new ATOM 1920 N ASP A 125 10.115 -8.007 0.108 1.00 0.09 N ATOM 1921 CA ASP A 125 10.831 -8.409 1.291 1.00 0.12 C ATOM 1922 C ASP A 125 12.230 -8.876 0.902 1.00 0.12 C ATOM 1923 O ASP A 125 13.190 -8.755 1.663 1.00 0.19 O ATOM 1924 CB ASP A 125 9.986 -9.521 1.921 1.00 0.21 C ATOM 1925 CG ASP A 125 8.860 -9.008 2.803 1.00 0.97 C ATOM 1926 OD1 ASP A 125 8.168 -9.840 3.432 1.00 1.49 O ATOM 1927 OD2 ASP A 125 8.630 -7.781 2.843 1.00 1.21 O1- ATOM 0 H ASP A 125 9.232 -8.504 -0.009 1.00 0.09 H new ATOM 0 HA ASP A 125 10.973 -7.599 2.007 1.00 0.12 H new ATOM 0 HB2 ASP A 125 9.562 -10.137 1.128 1.00 0.21 H new ATOM 0 HB3 ASP A 125 10.634 -10.166 2.514 1.00 0.21 H new ATOM 1932 N LYS A 126 12.319 -9.394 -0.316 1.00 0.10 N ATOM 1933 CA LYS A 126 13.567 -9.790 -0.923 1.00 0.10 C ATOM 1934 C LYS A 126 14.304 -8.625 -1.558 1.00 0.11 C ATOM 1935 O LYS A 126 15.519 -8.675 -1.708 1.00 0.17 O ATOM 1936 CB LYS A 126 13.280 -10.869 -1.965 1.00 0.11 C ATOM 1937 CG LYS A 126 12.432 -11.996 -1.419 1.00 0.13 C ATOM 1938 CD LYS A 126 12.426 -13.224 -2.321 1.00 0.18 C ATOM 1939 CE LYS A 126 13.826 -13.759 -2.595 1.00 0.62 C ATOM 1940 NZ LYS A 126 14.554 -14.100 -1.343 1.00 1.29 N1+ ATOM 0 H LYS A 126 11.508 -9.550 -0.914 1.00 0.10 H new ATOM 0 HA LYS A 126 14.220 -10.176 -0.140 1.00 0.10 H new ATOM 0 HB2 LYS A 126 12.773 -10.419 -2.818 1.00 0.11 H new ATOM 0 HB3 LYS A 126 14.223 -11.274 -2.332 1.00 0.11 H new ATOM 0 HG2 LYS A 126 12.802 -12.277 -0.433 1.00 0.13 H new ATOM 0 HG3 LYS A 126 11.409 -11.643 -1.287 1.00 0.13 H new ATOM 0 HD2 LYS A 126 11.826 -14.007 -1.857 1.00 0.18 H new ATOM 0 HD3 LYS A 126 11.946 -12.973 -3.267 1.00 0.18 H new ATOM 0 HE2 LYS A 126 13.757 -14.645 -3.226 1.00 0.62 H new ATOM 0 HE3 LYS A 126 14.395 -13.015 -3.152 1.00 0.62 H new ATOM 0 HZ1 LYS A 126 15.467 -14.538 -1.581 1.00 1.29 H new ATOM 0 HZ2 LYS A 126 14.719 -13.234 -0.790 1.00 1.29 H new ATOM 0 HZ3 LYS A 126 13.986 -14.766 -0.782 1.00 1.29 H new ATOM 1954 N VAL A 127 13.595 -7.574 -1.909 1.00 0.08 N ATOM 1955 CA VAL A 127 14.239 -6.433 -2.510 1.00 0.07 C ATOM 1956 C VAL A 127 14.616 -5.454 -1.420 1.00 0.06 C ATOM 1957 O VAL A 127 15.593 -4.717 -1.523 1.00 0.06 O ATOM 1958 CB VAL A 127 13.355 -5.735 -3.543 1.00 0.07 C ATOM 1959 CG1 VAL A 127 14.129 -4.612 -4.202 1.00 0.07 C ATOM 1960 CG2 VAL A 127 12.867 -6.717 -4.591 1.00 0.09 C ATOM 0 H VAL A 127 12.586 -7.488 -1.790 1.00 0.08 H new ATOM 0 HA VAL A 127 15.124 -6.789 -3.037 1.00 0.07 H new ATOM 0 HB VAL A 127 12.484 -5.324 -3.033 1.00 0.07 H new ATOM 0 HG11 VAL A 127 13.496 -4.117 -4.938 1.00 0.07 H new ATOM 0 HG12 VAL A 127 14.439 -3.891 -3.446 1.00 0.07 H new ATOM 0 HG13 VAL A 127 15.010 -5.019 -4.697 1.00 0.07 H new ATOM 0 HG21 VAL A 127 12.240 -6.196 -5.314 1.00 0.09 H new ATOM 0 HG22 VAL A 127 13.722 -7.158 -5.103 1.00 0.09 H new ATOM 0 HG23 VAL A 127 12.287 -7.505 -4.110 1.00 0.09 H new ATOM 1970 N LEU A 128 13.833 -5.483 -0.361 1.00 0.06 N ATOM 1971 CA LEU A 128 14.147 -4.766 0.850 1.00 0.05 C ATOM 1972 C LEU A 128 15.515 -5.225 1.269 1.00 0.06 C ATOM 1973 O LEU A 128 16.435 -4.457 1.527 1.00 0.06 O ATOM 1974 CB LEU A 128 13.166 -5.153 1.941 1.00 0.06 C ATOM 1975 CG LEU A 128 11.719 -4.843 1.638 1.00 0.06 C ATOM 1976 CD1 LEU A 128 10.851 -5.147 2.841 1.00 0.07 C ATOM 1977 CD2 LEU A 128 11.567 -3.399 1.213 1.00 0.06 C ATOM 0 H LEU A 128 12.959 -6.007 -0.320 1.00 0.06 H new ATOM 0 HA LEU A 128 14.100 -3.689 0.689 1.00 0.05 H new ATOM 0 HB2 LEU A 128 13.261 -6.222 2.131 1.00 0.06 H new ATOM 0 HB3 LEU A 128 13.447 -4.639 2.860 1.00 0.06 H new ATOM 0 HG LEU A 128 11.391 -5.476 0.814 1.00 0.06 H new ATOM 0 HD11 LEU A 128 9.811 -4.918 2.607 1.00 0.07 H new ATOM 0 HD12 LEU A 128 10.941 -6.203 3.098 1.00 0.07 H new ATOM 0 HD13 LEU A 128 11.175 -4.539 3.686 1.00 0.07 H new ATOM 0 HD21 LEU A 128 10.519 -3.191 0.998 1.00 0.06 H new ATOM 0 HD22 LEU A 128 11.909 -2.746 2.015 1.00 0.06 H new ATOM 0 HD23 LEU A 128 12.163 -3.218 0.319 1.00 0.06 H new ATOM 1989 N ASP A 129 15.590 -6.541 1.248 1.00 0.06 N ATOM 1990 CA ASP A 129 16.768 -7.323 1.582 1.00 0.07 C ATOM 1991 C ASP A 129 17.941 -6.951 0.733 1.00 0.07 C ATOM 1992 O ASP A 129 19.061 -6.794 1.201 1.00 0.07 O ATOM 1993 CB ASP A 129 16.457 -8.746 1.240 1.00 0.10 C ATOM 1994 CG ASP A 129 17.005 -9.746 2.232 1.00 0.17 C ATOM 1995 OD1 ASP A 129 18.198 -10.096 2.128 1.00 0.37 O ATOM 1996 OD2 ASP A 129 16.249 -10.199 3.110 1.00 0.35 O1- ATOM 0 H ASP A 129 14.795 -7.123 0.985 1.00 0.06 H new ATOM 0 HA ASP A 129 17.007 -7.155 2.632 1.00 0.07 H new ATOM 0 HB2 ASP A 129 15.376 -8.867 1.177 1.00 0.10 H new ATOM 0 HB3 ASP A 129 16.861 -8.969 0.253 1.00 0.10 H new ATOM 2001 N LYS A 130 17.641 -6.906 -0.539 1.00 0.07 N ATOM 2002 CA LYS A 130 18.555 -6.535 -1.582 1.00 0.07 C ATOM 2003 C LYS A 130 19.339 -5.332 -1.173 1.00 0.06 C ATOM 2004 O LYS A 130 20.558 -5.292 -1.273 1.00 0.07 O ATOM 2005 CB LYS A 130 17.685 -6.241 -2.775 1.00 0.08 C ATOM 2006 CG LYS A 130 17.769 -7.221 -3.923 1.00 0.12 C ATOM 2007 CD LYS A 130 17.942 -8.617 -3.446 1.00 0.15 C ATOM 2008 CE LYS A 130 19.389 -9.094 -3.550 1.00 1.00 C ATOM 2009 NZ LYS A 130 19.524 -10.524 -3.176 1.00 1.66 N1+ ATOM 0 H LYS A 130 16.711 -7.138 -0.889 1.00 0.07 H new ATOM 0 HA LYS A 130 19.281 -7.317 -1.801 1.00 0.07 H new ATOM 0 HB2 LYS A 130 16.649 -6.195 -2.440 1.00 0.08 H new ATOM 0 HB3 LYS A 130 17.943 -5.251 -3.151 1.00 0.08 H new ATOM 0 HG2 LYS A 130 16.864 -7.153 -4.526 1.00 0.12 H new ATOM 0 HG3 LYS A 130 18.604 -6.952 -4.570 1.00 0.12 H new ATOM 0 HD2 LYS A 130 17.613 -8.687 -2.409 1.00 0.15 H new ATOM 0 HD3 LYS A 130 17.302 -9.279 -4.029 1.00 0.15 H new ATOM 0 HE2 LYS A 130 19.748 -8.949 -4.569 1.00 1.00 H new ATOM 0 HE3 LYS A 130 20.020 -8.487 -2.901 1.00 1.00 H new ATOM 0 HZ1 LYS A 130 20.520 -10.812 -3.259 1.00 1.66 H new ATOM 0 HZ2 LYS A 130 19.205 -10.658 -2.195 1.00 1.66 H new ATOM 0 HZ3 LYS A 130 18.942 -11.106 -3.812 1.00 1.66 H new ATOM 2023 N ALA A 131 18.619 -4.393 -0.644 1.00 0.06 N ATOM 2024 CA ALA A 131 19.200 -3.157 -0.196 1.00 0.05 C ATOM 2025 C ALA A 131 20.060 -3.409 1.013 1.00 0.05 C ATOM 2026 O ALA A 131 21.212 -3.019 1.069 1.00 0.05 O ATOM 2027 CB ALA A 131 18.118 -2.183 0.157 1.00 0.04 C ATOM 0 H ALA A 131 17.610 -4.457 -0.508 1.00 0.06 H new ATOM 0 HA ALA A 131 19.811 -2.742 -0.997 1.00 0.05 H new ATOM 0 HB1 ALA A 131 18.566 -1.249 0.496 1.00 0.04 H new ATOM 0 HB2 ALA A 131 17.500 -1.992 -0.720 1.00 0.04 H new ATOM 0 HB3 ALA A 131 17.500 -2.599 0.953 1.00 0.04 H new ATOM 2033 N ILE A 132 19.480 -4.071 1.984 1.00 0.05 N ATOM 2034 CA ILE A 132 20.193 -4.473 3.176 1.00 0.06 C ATOM 2035 C ILE A 132 21.462 -5.221 2.838 1.00 0.08 C ATOM 2036 O ILE A 132 22.408 -5.263 3.622 1.00 0.09 O ATOM 2037 CB ILE A 132 19.316 -5.383 4.019 1.00 0.07 C ATOM 2038 CG1 ILE A 132 17.896 -4.837 3.961 1.00 0.06 C ATOM 2039 CG2 ILE A 132 19.830 -5.479 5.447 1.00 0.08 C ATOM 2040 CD1 ILE A 132 16.964 -5.298 5.055 1.00 0.07 C ATOM 0 H ILE A 132 18.498 -4.348 1.972 1.00 0.05 H new ATOM 0 HA ILE A 132 20.449 -3.566 3.724 1.00 0.06 H new ATOM 0 HB ILE A 132 19.336 -6.399 3.626 1.00 0.07 H new ATOM 0 HG12 ILE A 132 17.945 -3.748 3.988 1.00 0.06 H new ATOM 0 HG13 ILE A 132 17.461 -5.113 3.000 1.00 0.06 H new ATOM 0 HG21 ILE A 132 19.181 -6.137 6.024 1.00 0.08 H new ATOM 0 HG22 ILE A 132 20.843 -5.881 5.443 1.00 0.08 H new ATOM 0 HG23 ILE A 132 19.835 -4.487 5.899 1.00 0.08 H new ATOM 0 HD11 ILE A 132 15.983 -4.846 4.912 1.00 0.07 H new ATOM 0 HD12 ILE A 132 16.872 -6.384 5.021 1.00 0.07 H new ATOM 0 HD13 ILE A 132 17.364 -4.998 6.024 1.00 0.07 H new ATOM 2052 N SER A 133 21.475 -5.795 1.655 1.00 0.08 N ATOM 2053 CA SER A 133 22.605 -6.567 1.219 1.00 0.10 C ATOM 2054 C SER A 133 23.702 -5.630 0.716 1.00 0.08 C ATOM 2055 O SER A 133 24.871 -6.003 0.590 1.00 0.11 O ATOM 2056 CB SER A 133 22.156 -7.573 0.167 1.00 0.13 C ATOM 2057 OG SER A 133 23.221 -7.992 -0.668 1.00 1.33 O ATOM 0 H SER A 133 20.712 -5.738 0.981 1.00 0.08 H new ATOM 0 HA SER A 133 23.026 -7.135 2.049 1.00 0.10 H new ATOM 0 HB2 SER A 133 21.722 -8.442 0.661 1.00 0.13 H new ATOM 0 HB3 SER A 133 21.371 -7.129 -0.445 1.00 0.13 H new ATOM 0 HG SER A 133 22.887 -8.637 -1.326 1.00 1.33 H new ATOM 2063 N LEU A 134 23.295 -4.398 0.445 1.00 0.08 N ATOM 2064 CA LEU A 134 24.207 -3.302 0.173 1.00 0.08 C ATOM 2065 C LEU A 134 24.733 -2.766 1.499 1.00 0.08 C ATOM 2066 O LEU A 134 25.847 -2.248 1.583 1.00 0.10 O ATOM 2067 CB LEU A 134 23.490 -2.181 -0.572 1.00 0.07 C ATOM 2068 CG LEU A 134 23.296 -2.314 -2.078 1.00 0.08 C ATOM 2069 CD1 LEU A 134 22.671 -3.629 -2.473 1.00 0.08 C ATOM 2070 CD2 LEU A 134 22.446 -1.156 -2.542 1.00 0.08 C ATOM 0 H LEU A 134 22.311 -4.131 0.408 1.00 0.08 H new ATOM 0 HA LEU A 134 25.028 -3.663 -0.447 1.00 0.08 H new ATOM 0 HB2 LEU A 134 22.505 -2.061 -0.121 1.00 0.07 H new ATOM 0 HB3 LEU A 134 24.040 -1.258 -0.389 1.00 0.07 H new ATOM 0 HG LEU A 134 24.274 -2.294 -2.560 1.00 0.08 H new ATOM 0 HD11 LEU A 134 22.557 -3.667 -3.556 1.00 0.08 H new ATOM 0 HD12 LEU A 134 23.311 -4.449 -2.146 1.00 0.08 H new ATOM 0 HD13 LEU A 134 21.692 -3.723 -2.002 1.00 0.08 H new ATOM 0 HD21 LEU A 134 22.291 -1.227 -3.619 1.00 0.08 H new ATOM 0 HD22 LEU A 134 21.482 -1.186 -2.034 1.00 0.08 H new ATOM 0 HD23 LEU A 134 22.950 -0.218 -2.309 1.00 0.08 H new ATOM 2082 N GLY A 135 23.905 -2.895 2.536 1.00 0.09 N ATOM 2083 CA GLY A 135 24.288 -2.452 3.862 1.00 0.12 C ATOM 2084 C GLY A 135 25.368 -3.318 4.474 1.00 0.27 C ATOM 2085 O GLY A 135 26.163 -2.800 5.285 1.00 1.05 O ATOM 2086 OXT GLY A 135 25.440 -4.518 4.137 1.00 1.19 O ATOM 0 H GLY A 135 22.971 -3.301 2.477 1.00 0.09 H new ATOM 0 HA2 GLY A 135 24.639 -1.422 3.810 1.00 0.12 H new ATOM 0 HA3 GLY A 135 23.412 -2.457 4.510 1.00 0.12 H new TER 2090 GLY A 135