USER MOD reduce.3.24.130724 H: found=0, std=0, add=1143, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1139 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 76 SER OG : rot -82:sc= 0.304 USER MOD Set 1.2: A 79 GLN : amide:sc= -3.55! X(o=-3.2!,f=-3.7) USER MOD Set 2.1: A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 91 MET CE :methyl -177:sc= 0 (180deg=-0.0185) USER MOD Set 3.1: A 19 ASN : amide:sc= -0.7! C(o=-0.11!,f=-29!) USER MOD Set 3.2: A 22 LYS NZ :NH3+ -114:sc= 0.931 (180deg=0) USER MOD Set 3.3: A 23 LYS NZ :NH3+ 162:sc= -0.338! (180deg=-0.215) USER MOD Single : A 1 ARG N :NH3+ -128:sc= 0.00148 (180deg=-0.134) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.0061) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.344 X(o=-0.34,f=-0.41) USER MOD Single : A 17 LYS NZ :NH3+ 146:sc= -4.48! (180deg=-7.75!) USER MOD Single : A 24 THR OG1 : rot 121:sc= -0.341 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN :FLIP amide:sc= -0.117 F(o=-7.3!,f=-0.12) USER MOD Single : A 31 LYS NZ :NH3+ -153:sc= -0.114 (180deg=-0.778) USER MOD Single : A 32 HIS : no HD1:sc= -10.1! C(o=-10!,f=-9.8!) USER MOD Single : A 34 ASN : amide:sc= -1.67! C(o=-1.7!,f=-4.5!) USER MOD Single : A 35 LYS NZ :NH3+ -168:sc= 0.132 (180deg=0.106) USER MOD Single : A 37 ASN :FLIP amide:sc= -6.06! C(o=-7.1!,f=-6.1!) USER MOD Single : A 41 THR OG1 : rot 180:sc=-0.00774 USER MOD Single : A 45 THR OG1 : rot 170:sc= -0.466 USER MOD Single : A 46 GLN : amide:sc= -1.88 X(o=-1.9,f=-1.7) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 45:sc= 0.356 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -3.86! C(o=-3.9!,f=-10!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN :FLIP amide:sc= -0.228 F(o=-1.3,f=-0.23) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -116:sc= -4.3! (180deg=-9.65!) USER MOD Single : A 108 ASN : amide:sc= 0.978 K(o=0.98,f=-0.049) USER MOD Single : A 109 CYS SG : rot -37:sc= -2.19 USER MOD Single : A 112 LYS NZ :NH3+ -137:sc= -0.261 (180deg=-1.45!) USER MOD Single : A 113 SER OG : rot 119:sc= -0.688 USER MOD Single : A 114 THR OG1 : rot 180:sc= -2.42 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 THR OG1 : rot 80:sc= 1.24 USER MOD Single : A 124 LYS NZ :NH3+ 173:sc= -7.53! (180deg=-7.7!) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 ASP N :NH3+ -145:sc= 0.0389 (180deg=-0.893) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 13.314 -21.975 -3.313 1.00 1.51 N ATOM 2 CA ARG A 1 14.749 -21.848 -3.697 1.00 1.47 C ATOM 3 C ARG A 1 15.294 -20.511 -3.192 1.00 1.42 C ATOM 4 O ARG A 1 14.606 -19.510 -3.192 1.00 1.41 O ATOM 5 CB ARG A 1 14.878 -21.908 -5.221 1.00 1.52 C ATOM 6 CG ARG A 1 14.454 -23.291 -5.717 1.00 1.58 C ATOM 7 CD ARG A 1 14.854 -23.450 -7.185 1.00 1.56 C ATOM 8 NE ARG A 1 16.340 -23.448 -7.298 1.00 1.55 N ATOM 9 CZ ARG A 1 16.910 -23.859 -8.398 1.00 1.55 C ATOM 10 NH1 ARG A 1 16.177 -24.260 -9.400 1.00 1.57 N ATOM 11 NH2 ARG A 1 18.211 -23.866 -8.497 1.00 1.54 N ATOM 0 H1 ARG A 1 13.164 -22.881 -2.825 1.00 1.51 H new ATOM 0 H2 ARG A 1 13.054 -21.193 -2.678 1.00 1.51 H new ATOM 0 H3 ARG A 1 12.722 -21.939 -4.167 1.00 1.51 H new ATOM 0 HA ARG A 1 15.318 -22.665 -3.253 1.00 1.47 H new ATOM 0 HB2 ARG A 1 14.256 -21.139 -5.679 1.00 1.52 H new ATOM 0 HB3 ARG A 1 15.907 -21.704 -5.517 1.00 1.52 H new ATOM 0 HG2 ARG A 1 14.927 -24.066 -5.114 1.00 1.58 H new ATOM 0 HG3 ARG A 1 13.377 -23.414 -5.607 1.00 1.58 H new ATOM 0 HD2 ARG A 1 14.449 -24.380 -7.585 1.00 1.56 H new ATOM 0 HD3 ARG A 1 14.432 -22.638 -7.778 1.00 1.56 H new ATOM 0 HE ARG A 1 16.911 -23.126 -6.517 1.00 1.55 H new ATOM 0 HH11 ARG A 1 15.160 -24.252 -9.323 1.00 1.57 H new ATOM 0 HH12 ARG A 1 16.621 -24.581 -10.260 1.00 1.57 H new ATOM 0 HH21 ARG A 1 18.784 -23.550 -7.714 1.00 1.54 H new ATOM 0 HH22 ARG A 1 18.655 -24.187 -9.357 1.00 1.54 H new ATOM 27 N HIS A 2 16.527 -20.484 -2.763 1.00 1.39 N ATOM 28 CA HIS A 2 17.113 -19.210 -2.261 1.00 1.35 C ATOM 29 C HIS A 2 17.190 -18.201 -3.409 1.00 1.38 C ATOM 30 O HIS A 2 17.774 -18.466 -4.442 1.00 1.44 O ATOM 31 CB HIS A 2 18.520 -19.472 -1.717 1.00 1.31 C ATOM 32 CG HIS A 2 18.434 -20.372 -0.515 1.00 1.26 C ATOM 33 ND1 HIS A 2 17.932 -19.937 0.702 1.00 1.27 N ATOM 34 CD2 HIS A 2 18.785 -21.686 -0.327 1.00 1.20 C ATOM 35 CE1 HIS A 2 17.995 -20.971 1.560 1.00 1.22 C ATOM 36 NE2 HIS A 2 18.507 -22.062 0.984 1.00 1.17 N ATOM 0 H HIS A 2 17.153 -21.289 -2.739 1.00 1.39 H new ATOM 0 HA HIS A 2 16.486 -18.810 -1.464 1.00 1.35 H new ATOM 0 HB2 HIS A 2 19.139 -19.934 -2.487 1.00 1.31 H new ATOM 0 HB3 HIS A 2 18.998 -18.530 -1.446 1.00 1.31 H new ATOM 0 HD2 HIS A 2 19.212 -22.330 -1.082 1.00 1.20 H new ATOM 0 HE1 HIS A 2 17.671 -20.925 2.589 1.00 1.22 H new ATOM 0 HE2 HIS A 2 18.661 -22.975 1.413 1.00 1.17 H new ATOM 44 N GLU A 3 16.603 -17.045 -3.235 1.00 1.36 N ATOM 45 CA GLU A 3 16.632 -16.004 -4.311 1.00 1.40 C ATOM 46 C GLU A 3 16.913 -14.638 -3.684 1.00 1.39 C ATOM 47 O GLU A 3 16.259 -14.227 -2.747 1.00 1.34 O ATOM 48 CB GLU A 3 15.275 -15.972 -5.020 1.00 1.39 C ATOM 49 CG GLU A 3 14.178 -15.584 -4.022 1.00 1.41 C ATOM 50 CD GLU A 3 12.809 -15.975 -4.584 1.00 1.40 C ATOM 51 OE1 GLU A 3 12.670 -17.106 -5.020 1.00 1.60 O ATOM 52 OE2 GLU A 3 11.923 -15.137 -4.570 1.00 1.53 O ATOM 0 H GLU A 3 16.101 -16.774 -2.389 1.00 1.36 H new ATOM 0 HA GLU A 3 17.414 -16.241 -5.032 1.00 1.40 H new ATOM 0 HB2 GLU A 3 15.301 -15.257 -5.843 1.00 1.39 H new ATOM 0 HB3 GLU A 3 15.057 -16.948 -5.453 1.00 1.39 H new ATOM 0 HG2 GLU A 3 14.347 -16.084 -3.068 1.00 1.41 H new ATOM 0 HG3 GLU A 3 14.210 -14.512 -3.830 1.00 1.41 H new ATOM 59 N ARG A 4 17.888 -13.933 -4.194 1.00 1.44 N ATOM 60 CA ARG A 4 18.224 -12.591 -3.634 1.00 1.44 C ATOM 61 C ARG A 4 17.512 -11.512 -4.457 1.00 1.43 C ATOM 62 O ARG A 4 17.580 -11.501 -5.670 1.00 1.45 O ATOM 63 CB ARG A 4 19.747 -12.391 -3.702 1.00 1.51 C ATOM 64 CG ARG A 4 20.120 -10.913 -3.427 1.00 1.53 C ATOM 65 CD ARG A 4 20.377 -10.168 -4.746 1.00 1.56 C ATOM 66 NE ARG A 4 21.777 -10.424 -5.190 1.00 1.64 N ATOM 67 CZ ARG A 4 22.143 -10.127 -6.407 1.00 1.68 C ATOM 68 NH1 ARG A 4 21.288 -9.588 -7.233 1.00 1.65 N ATOM 69 NH2 ARG A 4 23.365 -10.365 -6.797 1.00 1.74 N ATOM 0 H ARG A 4 18.469 -14.230 -4.978 1.00 1.44 H new ATOM 0 HA ARG A 4 17.898 -12.520 -2.596 1.00 1.44 H new ATOM 0 HB2 ARG A 4 20.236 -13.036 -2.972 1.00 1.51 H new ATOM 0 HB3 ARG A 4 20.114 -12.687 -4.685 1.00 1.51 H new ATOM 0 HG2 ARG A 4 19.315 -10.425 -2.878 1.00 1.53 H new ATOM 0 HG3 ARG A 4 21.009 -10.867 -2.798 1.00 1.53 H new ATOM 0 HD2 ARG A 4 19.674 -10.502 -5.509 1.00 1.56 H new ATOM 0 HD3 ARG A 4 20.216 -9.099 -4.611 1.00 1.56 H new ATOM 0 HE ARG A 4 22.450 -10.832 -4.541 1.00 1.64 H new ATOM 0 HH11 ARG A 4 20.333 -9.399 -6.927 1.00 1.65 H new ATOM 0 HH12 ARG A 4 21.574 -9.356 -8.184 1.00 1.65 H new ATOM 0 HH21 ARG A 4 24.034 -10.783 -6.151 1.00 1.74 H new ATOM 0 HH22 ARG A 4 23.651 -10.133 -7.748 1.00 1.74 H new ATOM 83 N ASP A 5 16.812 -10.614 -3.805 1.00 1.40 N ATOM 84 CA ASP A 5 16.077 -9.540 -4.539 1.00 1.39 C ATOM 85 C ASP A 5 16.249 -8.205 -3.810 1.00 1.41 C ATOM 86 O ASP A 5 17.337 -7.832 -3.431 1.00 1.46 O ATOM 87 CB ASP A 5 14.590 -9.907 -4.605 1.00 1.32 C ATOM 88 CG ASP A 5 13.940 -9.228 -5.813 1.00 1.32 C ATOM 89 OD1 ASP A 5 13.698 -8.035 -5.739 1.00 1.32 O ATOM 90 OD2 ASP A 5 13.697 -9.914 -6.793 1.00 1.33 O ATOM 0 H ASP A 5 16.719 -10.581 -2.790 1.00 1.40 H new ATOM 0 HA ASP A 5 16.476 -9.446 -5.549 1.00 1.39 H new ATOM 0 HB2 ASP A 5 14.476 -10.988 -4.680 1.00 1.32 H new ATOM 0 HB3 ASP A 5 14.089 -9.596 -3.688 1.00 1.32 H new ATOM 95 N ALA A 6 15.180 -7.478 -3.637 1.00 1.37 N ATOM 96 CA ALA A 6 15.270 -6.154 -2.947 1.00 1.39 C ATOM 97 C ALA A 6 15.211 -6.326 -1.420 1.00 1.40 C ATOM 98 O ALA A 6 16.102 -5.900 -0.702 1.00 1.45 O ATOM 99 CB ALA A 6 14.105 -5.272 -3.399 1.00 1.34 C ATOM 0 H ALA A 6 14.244 -7.742 -3.944 1.00 1.37 H new ATOM 0 HA ALA A 6 16.221 -5.689 -3.208 1.00 1.39 H new ATOM 0 HB1 ALA A 6 14.165 -4.305 -2.899 1.00 1.34 H new ATOM 0 HB2 ALA A 6 14.156 -5.126 -4.478 1.00 1.34 H new ATOM 0 HB3 ALA A 6 13.162 -5.755 -3.142 1.00 1.34 H new ATOM 105 N PHE A 7 14.165 -6.926 -0.906 1.00 1.35 N ATOM 106 CA PHE A 7 14.070 -7.087 0.580 1.00 1.36 C ATOM 107 C PHE A 7 15.392 -7.629 1.147 1.00 1.43 C ATOM 108 O PHE A 7 15.667 -7.512 2.322 1.00 1.46 O ATOM 109 CB PHE A 7 12.922 -8.045 0.950 1.00 1.31 C ATOM 110 CG PHE A 7 12.662 -8.972 -0.194 1.00 1.26 C ATOM 111 CD1 PHE A 7 11.834 -8.547 -1.224 1.00 1.21 C ATOM 112 CD2 PHE A 7 13.249 -10.242 -0.227 1.00 1.27 C ATOM 113 CE1 PHE A 7 11.584 -9.405 -2.308 1.00 1.16 C ATOM 114 CE2 PHE A 7 13.000 -11.096 -1.304 1.00 1.23 C ATOM 115 CZ PHE A 7 12.166 -10.678 -2.345 1.00 1.18 C ATOM 0 H PHE A 7 13.384 -7.306 -1.441 1.00 1.35 H new ATOM 0 HA PHE A 7 13.869 -6.107 1.013 1.00 1.36 H new ATOM 0 HB2 PHE A 7 13.182 -8.614 1.842 1.00 1.31 H new ATOM 0 HB3 PHE A 7 12.021 -7.478 1.185 1.00 1.31 H new ATOM 0 HD1 PHE A 7 11.386 -7.565 -1.192 1.00 1.21 H new ATOM 0 HD2 PHE A 7 13.893 -10.561 0.579 1.00 1.27 H new ATOM 0 HE1 PHE A 7 10.942 -9.082 -3.114 1.00 1.16 H new ATOM 0 HE2 PHE A 7 13.451 -12.077 -1.332 1.00 1.23 H new ATOM 0 HZ PHE A 7 11.971 -11.337 -3.178 1.00 1.18 H new ATOM 125 N ASP A 8 16.188 -8.255 0.331 1.00 1.47 N ATOM 126 CA ASP A 8 17.463 -8.852 0.838 1.00 1.54 C ATOM 127 C ASP A 8 18.296 -7.848 1.622 1.00 1.58 C ATOM 128 O ASP A 8 18.415 -7.912 2.826 1.00 1.60 O ATOM 129 CB ASP A 8 18.289 -9.347 -0.360 1.00 1.58 C ATOM 130 CG ASP A 8 18.736 -8.202 -1.274 1.00 1.64 C ATOM 131 OD1 ASP A 8 18.046 -7.195 -1.308 1.00 1.69 O ATOM 132 OD2 ASP A 8 19.763 -8.346 -1.915 1.00 1.64 O ATOM 0 H ASP A 8 16.016 -8.382 -0.666 1.00 1.47 H new ATOM 0 HA ASP A 8 17.204 -9.671 1.509 1.00 1.54 H new ATOM 0 HB2 ASP A 8 19.166 -9.882 0.003 1.00 1.58 H new ATOM 0 HB3 ASP A 8 17.698 -10.059 -0.936 1.00 1.58 H new ATOM 137 N THR A 9 18.886 -6.955 0.925 1.00 1.61 N ATOM 138 CA THR A 9 19.773 -5.936 1.562 1.00 1.66 C ATOM 139 C THR A 9 18.960 -4.875 2.284 1.00 1.62 C ATOM 140 O THR A 9 19.452 -4.211 3.174 1.00 1.65 O ATOM 141 CB THR A 9 20.639 -5.276 0.486 1.00 1.71 C ATOM 142 OG1 THR A 9 21.286 -6.282 -0.280 1.00 1.71 O ATOM 143 CG2 THR A 9 21.688 -4.383 1.148 1.00 1.78 C ATOM 0 H THR A 9 18.801 -6.870 -0.088 1.00 1.61 H new ATOM 0 HA THR A 9 20.405 -6.437 2.295 1.00 1.66 H new ATOM 0 HB THR A 9 20.010 -4.670 -0.166 1.00 1.71 H new ATOM 0 HG1 THR A 9 21.840 -5.862 -0.971 1.00 1.71 H new ATOM 0 HG21 THR A 9 22.303 -3.914 0.380 1.00 1.78 H new ATOM 0 HG22 THR A 9 21.190 -3.611 1.736 1.00 1.78 H new ATOM 0 HG23 THR A 9 22.319 -4.986 1.801 1.00 1.78 H new ATOM 151 N LEU A 10 17.729 -4.702 1.931 1.00 1.55 N ATOM 152 CA LEU A 10 16.927 -3.670 2.634 1.00 1.52 C ATOM 153 C LEU A 10 16.665 -4.143 4.072 1.00 1.51 C ATOM 154 O LEU A 10 16.799 -3.390 5.015 1.00 1.54 O ATOM 155 CB LEU A 10 15.600 -3.451 1.881 1.00 1.44 C ATOM 156 CG LEU A 10 15.749 -2.317 0.855 1.00 1.43 C ATOM 157 CD1 LEU A 10 16.802 -2.693 -0.191 1.00 1.48 C ATOM 158 CD2 LEU A 10 14.407 -2.085 0.158 1.00 1.36 C ATOM 0 H LEU A 10 17.244 -5.219 1.198 1.00 1.55 H new ATOM 0 HA LEU A 10 17.467 -2.723 2.663 1.00 1.52 H new ATOM 0 HB2 LEU A 10 15.305 -4.371 1.376 1.00 1.44 H new ATOM 0 HB3 LEU A 10 14.808 -3.208 2.589 1.00 1.44 H new ATOM 0 HG LEU A 10 16.062 -1.408 1.369 1.00 1.43 H new ATOM 0 HD11 LEU A 10 16.901 -1.884 -0.914 1.00 1.48 H new ATOM 0 HD12 LEU A 10 17.760 -2.860 0.301 1.00 1.48 H new ATOM 0 HD13 LEU A 10 16.495 -3.604 -0.705 1.00 1.48 H new ATOM 0 HD21 LEU A 10 14.510 -1.281 -0.571 1.00 1.36 H new ATOM 0 HD22 LEU A 10 14.098 -2.998 -0.351 1.00 1.36 H new ATOM 0 HD23 LEU A 10 13.655 -1.810 0.898 1.00 1.36 H new ATOM 170 N PHE A 11 16.294 -5.384 4.245 1.00 1.48 N ATOM 171 CA PHE A 11 16.014 -5.909 5.616 1.00 1.48 C ATOM 172 C PHE A 11 17.287 -6.482 6.233 1.00 1.55 C ATOM 173 O PHE A 11 17.374 -6.667 7.431 1.00 1.57 O ATOM 174 CB PHE A 11 14.950 -7.009 5.498 1.00 1.42 C ATOM 175 CG PHE A 11 13.598 -6.376 5.428 1.00 1.36 C ATOM 176 CD1 PHE A 11 13.136 -5.985 4.199 1.00 1.31 C ATOM 177 CD2 PHE A 11 12.838 -6.156 6.581 1.00 1.34 C ATOM 178 CE1 PHE A 11 11.898 -5.357 4.078 1.00 1.25 C ATOM 179 CE2 PHE A 11 11.588 -5.536 6.477 1.00 1.27 C ATOM 180 CZ PHE A 11 11.118 -5.132 5.222 1.00 1.23 C ATOM 0 H PHE A 11 16.172 -6.061 3.492 1.00 1.48 H new ATOM 0 HA PHE A 11 15.657 -5.103 6.258 1.00 1.48 H new ATOM 0 HB2 PHE A 11 15.130 -7.612 4.608 1.00 1.42 H new ATOM 0 HB3 PHE A 11 15.007 -7.681 6.355 1.00 1.42 H new ATOM 0 HD1 PHE A 11 13.735 -6.165 3.318 1.00 1.31 H new ATOM 0 HD2 PHE A 11 13.214 -6.463 7.546 1.00 1.34 H new ATOM 0 HE1 PHE A 11 11.541 -5.045 3.108 1.00 1.25 H new ATOM 0 HE2 PHE A 11 10.989 -5.370 7.360 1.00 1.27 H new ATOM 0 HZ PHE A 11 10.157 -4.648 5.135 1.00 1.23 H new ATOM 190 N ASP A 12 18.273 -6.770 5.431 1.00 1.58 N ATOM 191 CA ASP A 12 19.544 -7.341 5.985 1.00 1.65 C ATOM 192 C ASP A 12 20.580 -6.235 6.193 1.00 1.70 C ATOM 193 O ASP A 12 21.639 -6.477 6.736 1.00 1.75 O ATOM 194 CB ASP A 12 20.116 -8.383 5.022 1.00 1.68 C ATOM 195 CG ASP A 12 19.083 -9.487 4.789 1.00 1.63 C ATOM 196 OD1 ASP A 12 18.205 -9.635 5.624 1.00 1.58 O ATOM 197 OD2 ASP A 12 19.188 -10.167 3.781 1.00 1.65 O ATOM 0 H ASP A 12 18.260 -6.638 4.420 1.00 1.58 H new ATOM 0 HA ASP A 12 19.318 -7.810 6.943 1.00 1.65 H new ATOM 0 HB2 ASP A 12 20.380 -7.912 4.075 1.00 1.68 H new ATOM 0 HB3 ASP A 12 21.032 -8.808 5.432 1.00 1.68 H new ATOM 202 N HIS A 13 20.305 -5.024 5.761 1.00 1.70 N ATOM 203 CA HIS A 13 21.316 -3.930 5.945 1.00 1.76 C ATOM 204 C HIS A 13 20.637 -2.586 6.236 1.00 1.73 C ATOM 205 O HIS A 13 21.270 -1.551 6.173 1.00 1.77 O ATOM 206 CB HIS A 13 22.156 -3.805 4.671 1.00 1.80 C ATOM 207 CG HIS A 13 23.410 -3.024 4.962 1.00 1.86 C ATOM 208 ND1 HIS A 13 23.826 -1.970 4.165 1.00 1.87 N ATOM 209 CD2 HIS A 13 24.347 -3.133 5.960 1.00 1.91 C ATOM 210 CE1 HIS A 13 24.968 -1.491 4.691 1.00 1.93 C ATOM 211 NE2 HIS A 13 25.330 -2.164 5.787 1.00 1.95 N ATOM 0 H HIS A 13 19.440 -4.749 5.297 1.00 1.70 H new ATOM 0 HA HIS A 13 21.948 -4.185 6.796 1.00 1.76 H new ATOM 0 HB2 HIS A 13 22.412 -4.795 4.295 1.00 1.80 H new ATOM 0 HB3 HIS A 13 21.579 -3.307 3.891 1.00 1.80 H new ATOM 0 HD2 HIS A 13 24.324 -3.860 6.758 1.00 1.91 H new ATOM 0 HE1 HIS A 13 25.525 -0.663 4.277 1.00 1.93 H new ATOM 0 HE2 HIS A 13 26.150 -2.002 6.371 1.00 1.95 H new ATOM 219 N ALA A 14 19.372 -2.572 6.566 1.00 1.66 N ATOM 220 CA ALA A 14 18.717 -1.261 6.864 1.00 1.63 C ATOM 221 C ALA A 14 17.321 -1.456 7.465 1.00 1.56 C ATOM 222 O ALA A 14 16.338 -1.091 6.851 1.00 1.51 O ATOM 223 CB ALA A 14 18.603 -0.447 5.571 1.00 1.62 C ATOM 0 H ALA A 14 18.772 -3.394 6.642 1.00 1.66 H new ATOM 0 HA ALA A 14 19.330 -0.732 7.593 1.00 1.63 H new ATOM 0 HB1 ALA A 14 18.126 0.510 5.784 1.00 1.62 H new ATOM 0 HB2 ALA A 14 19.598 -0.273 5.162 1.00 1.62 H new ATOM 0 HB3 ALA A 14 18.004 -0.998 4.846 1.00 1.62 H new ATOM 229 N PRO A 15 17.265 -1.987 8.665 1.00 1.57 N ATOM 230 CA PRO A 15 15.983 -2.179 9.353 1.00 1.51 C ATOM 231 C PRO A 15 15.418 -0.798 9.718 1.00 1.50 C ATOM 232 O PRO A 15 14.240 -0.640 9.972 1.00 1.44 O ATOM 233 CB PRO A 15 16.334 -2.990 10.625 1.00 1.54 C ATOM 234 CG PRO A 15 17.874 -3.204 10.634 1.00 1.62 C ATOM 235 CD PRO A 15 18.449 -2.444 9.422 1.00 1.64 C ATOM 0 HA PRO A 15 15.236 -2.696 8.751 1.00 1.51 H new ATOM 0 HB2 PRO A 15 16.016 -2.455 11.520 1.00 1.54 H new ATOM 0 HB3 PRO A 15 15.814 -3.948 10.624 1.00 1.54 H new ATOM 0 HG2 PRO A 15 18.308 -2.832 11.562 1.00 1.62 H new ATOM 0 HG3 PRO A 15 18.115 -4.265 10.572 1.00 1.62 H new ATOM 0 HD2 PRO A 15 19.065 -1.602 9.739 1.00 1.64 H new ATOM 0 HD3 PRO A 15 19.082 -3.090 8.814 1.00 1.64 H new ATOM 243 N ASP A 16 16.267 0.200 9.755 1.00 1.55 N ATOM 244 CA ASP A 16 15.803 1.577 10.117 1.00 1.55 C ATOM 245 C ASP A 16 15.312 2.316 8.869 1.00 1.52 C ATOM 246 O ASP A 16 14.292 2.983 8.883 1.00 1.48 O ATOM 247 CB ASP A 16 16.963 2.355 10.742 1.00 1.63 C ATOM 248 CG ASP A 16 16.423 3.602 11.444 1.00 1.65 C ATOM 249 OD1 ASP A 16 16.281 4.616 10.780 1.00 1.64 O ATOM 250 OD2 ASP A 16 16.160 3.521 12.632 1.00 1.68 O ATOM 0 H ASP A 16 17.263 0.121 9.550 1.00 1.55 H new ATOM 0 HA ASP A 16 14.982 1.498 10.829 1.00 1.55 H new ATOM 0 HB2 ASP A 16 17.495 1.725 11.455 1.00 1.63 H new ATOM 0 HB3 ASP A 16 17.680 2.640 9.972 1.00 1.63 H new ATOM 255 N LYS A 17 16.029 2.206 7.787 1.00 1.55 N ATOM 256 CA LYS A 17 15.598 2.899 6.546 1.00 1.54 C ATOM 257 C LYS A 17 14.236 2.350 6.144 1.00 1.46 C ATOM 258 O LYS A 17 13.373 3.066 5.685 1.00 1.42 O ATOM 259 CB LYS A 17 16.609 2.641 5.429 1.00 1.59 C ATOM 260 CG LYS A 17 16.356 3.623 4.285 1.00 1.67 C ATOM 261 CD LYS A 17 17.150 3.195 3.046 1.00 1.72 C ATOM 262 CE LYS A 17 16.691 4.011 1.835 1.00 1.80 C ATOM 263 NZ LYS A 17 15.421 3.440 1.306 1.00 1.80 N ATOM 0 H LYS A 17 16.892 1.668 7.710 1.00 1.55 H new ATOM 0 HA LYS A 17 15.536 3.974 6.718 1.00 1.54 H new ATOM 0 HB2 LYS A 17 17.625 2.759 5.807 1.00 1.59 H new ATOM 0 HB3 LYS A 17 16.519 1.616 5.071 1.00 1.59 H new ATOM 0 HG2 LYS A 17 15.292 3.657 4.052 1.00 1.67 H new ATOM 0 HG3 LYS A 17 16.649 4.629 4.586 1.00 1.67 H new ATOM 0 HD2 LYS A 17 18.216 3.345 3.215 1.00 1.72 H new ATOM 0 HD3 LYS A 17 17.004 2.131 2.857 1.00 1.72 H new ATOM 0 HE2 LYS A 17 16.543 5.053 2.119 1.00 1.80 H new ATOM 0 HE3 LYS A 17 17.459 3.997 1.061 1.00 1.80 H new ATOM 0 HZ1 LYS A 17 14.824 4.206 0.934 1.00 1.80 H new ATOM 0 HZ2 LYS A 17 15.635 2.766 0.544 1.00 1.80 H new ATOM 0 HZ3 LYS A 17 14.916 2.949 2.071 1.00 1.80 H new ATOM 277 N LEU A 18 14.038 1.078 6.332 1.00 1.43 N ATOM 278 CA LEU A 18 12.732 0.467 5.981 1.00 1.36 C ATOM 279 C LEU A 18 11.636 1.179 6.768 1.00 1.31 C ATOM 280 O LEU A 18 10.575 1.470 6.253 1.00 1.26 O ATOM 281 CB LEU A 18 12.764 -1.020 6.356 1.00 1.35 C ATOM 282 CG LEU A 18 13.386 -1.836 5.204 1.00 1.35 C ATOM 283 CD1 LEU A 18 14.002 -3.119 5.757 1.00 1.28 C ATOM 284 CD2 LEU A 18 12.307 -2.192 4.167 1.00 1.41 C ATOM 0 H LEU A 18 14.729 0.433 6.716 1.00 1.43 H new ATOM 0 HA LEU A 18 12.536 0.564 4.913 1.00 1.36 H new ATOM 0 HB2 LEU A 18 13.343 -1.162 7.268 1.00 1.35 H new ATOM 0 HB3 LEU A 18 11.754 -1.375 6.561 1.00 1.35 H new ATOM 0 HG LEU A 18 14.160 -1.237 4.724 1.00 1.35 H new ATOM 0 HD11 LEU A 18 14.441 -3.693 4.941 1.00 1.28 H new ATOM 0 HD12 LEU A 18 14.777 -2.868 6.481 1.00 1.28 H new ATOM 0 HD13 LEU A 18 13.229 -3.713 6.244 1.00 1.28 H new ATOM 0 HD21 LEU A 18 12.756 -2.768 3.358 1.00 1.41 H new ATOM 0 HD22 LEU A 18 11.526 -2.784 4.644 1.00 1.41 H new ATOM 0 HD23 LEU A 18 11.874 -1.277 3.764 1.00 1.41 H new ATOM 296 N ASN A 19 11.891 1.472 8.011 1.00 1.33 N ATOM 297 CA ASN A 19 10.868 2.178 8.823 1.00 1.29 C ATOM 298 C ASN A 19 10.492 3.469 8.101 1.00 1.30 C ATOM 299 O ASN A 19 9.332 3.783 7.928 1.00 1.25 O ATOM 300 CB ASN A 19 11.440 2.506 10.203 1.00 1.32 C ATOM 301 CG ASN A 19 10.323 3.023 11.111 1.00 1.27 C ATOM 302 OD1 ASN A 19 9.300 3.477 10.637 1.00 1.29 O ATOM 303 ND2 ASN A 19 10.476 2.974 12.406 1.00 1.22 N ATOM 0 H ASN A 19 12.761 1.254 8.497 1.00 1.33 H new ATOM 0 HA ASN A 19 9.988 1.548 8.950 1.00 1.29 H new ATOM 0 HB2 ASN A 19 11.896 1.617 10.640 1.00 1.32 H new ATOM 0 HB3 ASN A 19 12.226 3.256 10.113 1.00 1.32 H new ATOM 0 HD21 ASN A 19 9.737 3.317 13.020 1.00 1.22 H new ATOM 0 HD22 ASN A 19 11.334 2.593 12.804 1.00 1.22 H new ATOM 310 N VAL A 20 11.472 4.216 7.670 1.00 1.36 N ATOM 311 CA VAL A 20 11.177 5.487 6.949 1.00 1.38 C ATOM 312 C VAL A 20 10.538 5.180 5.588 1.00 1.34 C ATOM 313 O VAL A 20 9.643 5.875 5.141 1.00 1.32 O ATOM 314 CB VAL A 20 12.476 6.267 6.736 1.00 1.46 C ATOM 315 CG1 VAL A 20 12.148 7.699 6.312 1.00 1.48 C ATOM 316 CG2 VAL A 20 13.274 6.294 8.043 1.00 1.50 C ATOM 0 H VAL A 20 12.462 4.002 7.786 1.00 1.36 H new ATOM 0 HA VAL A 20 10.485 6.083 7.544 1.00 1.38 H new ATOM 0 HB VAL A 20 13.066 5.783 5.958 1.00 1.46 H new ATOM 0 HG11 VAL A 20 13.073 8.255 6.160 1.00 1.48 H new ATOM 0 HG12 VAL A 20 11.579 7.682 5.383 1.00 1.48 H new ATOM 0 HG13 VAL A 20 11.558 8.183 7.090 1.00 1.48 H new ATOM 0 HG21 VAL A 20 14.200 6.849 7.893 1.00 1.50 H new ATOM 0 HG22 VAL A 20 12.683 6.778 8.820 1.00 1.50 H new ATOM 0 HG23 VAL A 20 13.508 5.274 8.347 1.00 1.50 H new ATOM 326 N VAL A 21 10.983 4.151 4.917 1.00 1.33 N ATOM 327 CA VAL A 21 10.381 3.833 3.591 1.00 1.30 C ATOM 328 C VAL A 21 8.906 3.475 3.780 1.00 1.22 C ATOM 329 O VAL A 21 8.078 3.796 2.952 1.00 1.19 O ATOM 330 CB VAL A 21 11.121 2.664 2.933 1.00 1.30 C ATOM 331 CG1 VAL A 21 10.424 2.297 1.619 1.00 1.26 C ATOM 332 CG2 VAL A 21 12.573 3.071 2.638 1.00 1.38 C ATOM 0 H VAL A 21 11.727 3.525 5.225 1.00 1.33 H new ATOM 0 HA VAL A 21 10.467 4.704 2.942 1.00 1.30 H new ATOM 0 HB VAL A 21 11.113 1.807 3.607 1.00 1.30 H new ATOM 0 HG11 VAL A 21 10.949 1.465 1.149 1.00 1.26 H new ATOM 0 HG12 VAL A 21 9.393 2.007 1.823 1.00 1.26 H new ATOM 0 HG13 VAL A 21 10.434 3.157 0.949 1.00 1.26 H new ATOM 0 HG21 VAL A 21 13.097 2.237 2.170 1.00 1.38 H new ATOM 0 HG22 VAL A 21 12.581 3.928 1.965 1.00 1.38 H new ATOM 0 HG23 VAL A 21 13.073 3.336 3.570 1.00 1.38 H new ATOM 342 N LYS A 22 8.551 2.845 4.873 1.00 1.19 N ATOM 343 CA LYS A 22 7.125 2.525 5.087 1.00 1.12 C ATOM 344 C LYS A 22 6.410 3.858 5.211 1.00 1.12 C ATOM 345 O LYS A 22 5.356 4.043 4.675 1.00 1.09 O ATOM 346 CB LYS A 22 6.980 1.666 6.362 1.00 1.09 C ATOM 347 CG LYS A 22 5.565 1.787 6.998 1.00 1.03 C ATOM 348 CD LYS A 22 5.663 1.618 8.521 1.00 1.03 C ATOM 349 CE LYS A 22 6.156 2.927 9.158 1.00 1.09 C ATOM 350 NZ LYS A 22 6.973 2.613 10.364 1.00 1.14 N ATOM 0 H LYS A 22 9.186 2.546 5.613 1.00 1.19 H new ATOM 0 HA LYS A 22 6.695 1.947 4.269 1.00 1.12 H new ATOM 0 HB2 LYS A 22 7.178 0.622 6.119 1.00 1.09 H new ATOM 0 HB3 LYS A 22 7.731 1.972 7.091 1.00 1.09 H new ATOM 0 HG2 LYS A 22 5.130 2.757 6.758 1.00 1.03 H new ATOM 0 HG3 LYS A 22 4.903 1.029 6.581 1.00 1.03 H new ATOM 0 HD2 LYS A 22 4.689 1.348 8.930 1.00 1.03 H new ATOM 0 HD3 LYS A 22 6.347 0.805 8.763 1.00 1.03 H new ATOM 0 HE2 LYS A 22 6.750 3.493 8.440 1.00 1.09 H new ATOM 0 HE3 LYS A 22 5.307 3.553 9.433 1.00 1.09 H new ATOM 0 HZ1 LYS A 22 6.485 2.960 11.214 1.00 1.14 H new ATOM 0 HZ2 LYS A 22 7.104 1.584 10.436 1.00 1.14 H new ATOM 0 HZ3 LYS A 22 7.901 3.076 10.285 1.00 1.14 H new ATOM 364 N LYS A 23 6.987 4.777 5.930 1.00 1.17 N ATOM 365 CA LYS A 23 6.350 6.117 6.105 1.00 1.18 C ATOM 366 C LYS A 23 6.189 6.813 4.743 1.00 1.20 C ATOM 367 O LYS A 23 5.344 7.671 4.563 1.00 1.20 O ATOM 368 CB LYS A 23 7.222 6.985 7.019 1.00 1.25 C ATOM 369 CG LYS A 23 7.230 6.400 8.435 1.00 1.23 C ATOM 370 CD LYS A 23 7.743 7.449 9.424 1.00 1.29 C ATOM 371 CE LYS A 23 7.723 6.868 10.840 1.00 1.36 C ATOM 372 NZ LYS A 23 8.783 5.828 10.965 1.00 1.39 N ATOM 0 H LYS A 23 7.880 4.660 6.409 1.00 1.17 H new ATOM 0 HA LYS A 23 5.366 5.982 6.554 1.00 1.18 H new ATOM 0 HB2 LYS A 23 8.239 7.033 6.629 1.00 1.25 H new ATOM 0 HB3 LYS A 23 6.840 8.006 7.039 1.00 1.25 H new ATOM 0 HG2 LYS A 23 6.225 6.084 8.714 1.00 1.23 H new ATOM 0 HG3 LYS A 23 7.864 5.514 8.469 1.00 1.23 H new ATOM 0 HD2 LYS A 23 8.756 7.751 9.158 1.00 1.29 H new ATOM 0 HD3 LYS A 23 7.121 8.343 9.377 1.00 1.29 H new ATOM 0 HE2 LYS A 23 7.887 7.659 11.572 1.00 1.36 H new ATOM 0 HE3 LYS A 23 6.746 6.434 11.053 1.00 1.36 H new ATOM 0 HZ1 LYS A 23 8.980 5.652 11.971 1.00 1.39 H new ATOM 0 HZ2 LYS A 23 8.460 4.947 10.516 1.00 1.39 H new ATOM 0 HZ3 LYS A 23 9.650 6.158 10.495 1.00 1.39 H new ATOM 386 N THR A 24 6.974 6.446 3.772 1.00 1.22 N ATOM 387 CA THR A 24 6.826 7.093 2.434 1.00 1.24 C ATOM 388 C THR A 24 5.605 6.484 1.773 1.00 1.18 C ATOM 389 O THR A 24 4.854 7.133 1.067 1.00 1.18 O ATOM 390 CB THR A 24 8.074 6.832 1.586 1.00 1.30 C ATOM 391 OG1 THR A 24 9.190 7.483 2.177 1.00 1.36 O ATOM 392 CG2 THR A 24 7.856 7.371 0.172 1.00 1.31 C ATOM 0 H THR A 24 7.703 5.736 3.841 1.00 1.22 H new ATOM 0 HA THR A 24 6.709 8.172 2.535 1.00 1.24 H new ATOM 0 HB THR A 24 8.262 5.759 1.537 1.00 1.30 H new ATOM 0 HG1 THR A 24 9.879 6.820 2.392 1.00 1.36 H new ATOM 0 HG21 THR A 24 8.745 7.184 -0.430 1.00 1.31 H new ATOM 0 HG22 THR A 24 7.000 6.870 -0.280 1.00 1.31 H new ATOM 0 HG23 THR A 24 7.667 8.444 0.217 1.00 1.31 H new ATOM 400 N LEU A 25 5.376 5.246 2.047 1.00 1.13 N ATOM 401 CA LEU A 25 4.185 4.579 1.503 1.00 1.07 C ATOM 402 C LEU A 25 2.978 5.165 2.243 1.00 1.03 C ATOM 403 O LEU A 25 1.897 5.296 1.700 1.00 0.99 O ATOM 404 CB LEU A 25 4.332 3.078 1.756 1.00 1.03 C ATOM 405 CG LEU A 25 5.599 2.565 1.047 1.00 1.08 C ATOM 406 CD1 LEU A 25 5.796 1.059 1.339 1.00 1.06 C ATOM 407 CD2 LEU A 25 5.492 2.820 -0.477 1.00 1.09 C ATOM 0 H LEU A 25 5.971 4.660 2.633 1.00 1.13 H new ATOM 0 HA LEU A 25 4.060 4.732 0.431 1.00 1.07 H new ATOM 0 HB2 LEU A 25 4.396 2.882 2.826 1.00 1.03 H new ATOM 0 HB3 LEU A 25 3.454 2.547 1.387 1.00 1.03 H new ATOM 0 HG LEU A 25 6.466 3.105 1.427 1.00 1.08 H new ATOM 0 HD11 LEU A 25 6.694 0.705 0.834 1.00 1.06 H new ATOM 0 HD12 LEU A 25 5.900 0.907 2.413 1.00 1.06 H new ATOM 0 HD13 LEU A 25 4.932 0.502 0.976 1.00 1.06 H new ATOM 0 HD21 LEU A 25 6.392 2.454 -0.971 1.00 1.09 H new ATOM 0 HD22 LEU A 25 4.622 2.296 -0.873 1.00 1.09 H new ATOM 0 HD23 LEU A 25 5.386 3.889 -0.660 1.00 1.09 H new ATOM 419 N ILE A 26 3.181 5.568 3.478 1.00 1.04 N ATOM 420 CA ILE A 26 2.087 6.196 4.262 1.00 1.01 C ATOM 421 C ILE A 26 1.755 7.520 3.591 1.00 1.05 C ATOM 422 O ILE A 26 0.650 7.983 3.660 1.00 1.02 O ATOM 423 CB ILE A 26 2.558 6.438 5.716 1.00 1.03 C ATOM 424 CG1 ILE A 26 2.763 5.082 6.402 1.00 0.99 C ATOM 425 CG2 ILE A 26 1.528 7.255 6.518 1.00 1.02 C ATOM 426 CD1 ILE A 26 2.983 5.268 7.908 1.00 1.01 C ATOM 0 H ILE A 26 4.069 5.484 3.973 1.00 1.04 H new ATOM 0 HA ILE A 26 1.209 5.551 4.293 1.00 1.01 H new ATOM 0 HB ILE A 26 3.489 7.004 5.684 1.00 1.03 H new ATOM 0 HG12 ILE A 26 1.894 4.447 6.232 1.00 0.99 H new ATOM 0 HG13 ILE A 26 3.621 4.572 5.964 1.00 0.99 H new ATOM 0 HG21 ILE A 26 1.894 7.405 7.534 1.00 1.02 H new ATOM 0 HG22 ILE A 26 1.379 8.223 6.040 1.00 1.02 H new ATOM 0 HG23 ILE A 26 0.581 6.716 6.549 1.00 1.02 H new ATOM 0 HD11 ILE A 26 3.127 4.295 8.378 1.00 1.01 H new ATOM 0 HD12 ILE A 26 3.867 5.885 8.073 1.00 1.01 H new ATOM 0 HD13 ILE A 26 2.112 5.757 8.345 1.00 1.01 H new ATOM 438 N THR A 27 2.717 8.137 2.955 1.00 1.11 N ATOM 439 CA THR A 27 2.454 9.449 2.289 1.00 1.15 C ATOM 440 C THR A 27 1.568 9.259 1.035 1.00 1.12 C ATOM 441 O THR A 27 0.563 9.925 0.880 1.00 1.12 O ATOM 442 CB THR A 27 3.797 10.103 1.913 1.00 1.23 C ATOM 443 OG1 THR A 27 4.407 10.616 3.090 1.00 1.27 O ATOM 444 CG2 THR A 27 3.573 11.250 0.922 1.00 1.27 C ATOM 0 H THR A 27 3.672 7.790 2.868 1.00 1.11 H new ATOM 0 HA THR A 27 1.917 10.101 2.978 1.00 1.15 H new ATOM 0 HB THR A 27 4.440 9.355 1.449 1.00 1.23 H new ATOM 0 HG1 THR A 27 5.264 11.033 2.860 1.00 1.27 H new ATOM 0 HG21 THR A 27 4.531 11.702 0.666 1.00 1.27 H new ATOM 0 HG22 THR A 27 3.101 10.863 0.019 1.00 1.27 H new ATOM 0 HG23 THR A 27 2.927 12.002 1.375 1.00 1.27 H new ATOM 452 N PHE A 28 1.919 8.366 0.141 1.00 1.10 N ATOM 453 CA PHE A 28 1.069 8.168 -1.088 1.00 1.07 C ATOM 454 C PHE A 28 -0.367 7.833 -0.639 1.00 1.01 C ATOM 455 O PHE A 28 -1.356 8.255 -1.235 1.00 1.02 O ATOM 456 CB PHE A 28 1.689 7.036 -1.949 1.00 1.05 C ATOM 457 CG PHE A 28 0.649 6.323 -2.789 1.00 1.03 C ATOM 458 CD1 PHE A 28 0.065 6.974 -3.883 1.00 1.08 C ATOM 459 CD2 PHE A 28 0.268 5.013 -2.469 1.00 0.97 C ATOM 460 CE1 PHE A 28 -0.904 6.316 -4.649 1.00 1.06 C ATOM 461 CE2 PHE A 28 -0.697 4.356 -3.239 1.00 0.96 C ATOM 462 CZ PHE A 28 -1.286 5.009 -4.327 1.00 1.00 C ATOM 0 H PHE A 28 2.745 7.770 0.202 1.00 1.10 H new ATOM 0 HA PHE A 28 1.034 9.070 -1.698 1.00 1.07 H new ATOM 0 HB2 PHE A 28 2.455 7.455 -2.601 1.00 1.05 H new ATOM 0 HB3 PHE A 28 2.184 6.316 -1.298 1.00 1.05 H new ATOM 0 HD1 PHE A 28 0.362 7.981 -4.135 1.00 1.08 H new ATOM 0 HD2 PHE A 28 0.720 4.510 -1.627 1.00 0.97 H new ATOM 0 HE1 PHE A 28 -1.358 6.818 -5.491 1.00 1.06 H new ATOM 0 HE2 PHE A 28 -0.987 3.345 -2.994 1.00 0.96 H new ATOM 0 HZ PHE A 28 -2.036 4.504 -4.918 1.00 1.00 H new ATOM 472 N VAL A 29 -0.488 7.105 0.431 1.00 0.97 N ATOM 473 CA VAL A 29 -1.836 6.765 0.948 1.00 0.92 C ATOM 474 C VAL A 29 -2.455 8.036 1.543 1.00 0.95 C ATOM 475 O VAL A 29 -3.637 8.284 1.420 1.00 0.94 O ATOM 476 CB VAL A 29 -1.688 5.688 2.031 1.00 0.86 C ATOM 477 CG1 VAL A 29 -3.070 5.296 2.621 1.00 0.81 C ATOM 478 CG2 VAL A 29 -1.012 4.451 1.418 1.00 0.85 C ATOM 0 H VAL A 29 0.292 6.730 0.971 1.00 0.97 H new ATOM 0 HA VAL A 29 -2.478 6.385 0.153 1.00 0.92 H new ATOM 0 HB VAL A 29 -1.077 6.085 2.841 1.00 0.86 H new ATOM 0 HG11 VAL A 29 -2.935 4.531 3.386 1.00 0.81 H new ATOM 0 HG12 VAL A 29 -3.539 6.174 3.065 1.00 0.81 H new ATOM 0 HG13 VAL A 29 -3.707 4.907 1.827 1.00 0.81 H new ATOM 0 HG21 VAL A 29 -0.903 3.680 2.181 1.00 0.85 H new ATOM 0 HG22 VAL A 29 -1.624 4.069 0.601 1.00 0.85 H new ATOM 0 HG23 VAL A 29 -0.029 4.725 1.036 1.00 0.85 H new ATOM 488 N ASN A 30 -1.650 8.844 2.180 1.00 0.99 N ATOM 489 CA ASN A 30 -2.160 10.106 2.780 1.00 1.03 C ATOM 490 C ASN A 30 -2.644 11.011 1.660 1.00 1.06 C ATOM 491 O ASN A 30 -3.348 11.956 1.885 1.00 1.09 O ATOM 492 CB ASN A 30 -1.036 10.803 3.575 1.00 1.08 C ATOM 493 CG ASN A 30 -1.590 11.421 4.861 1.00 1.08 C ATOM 494 OD1 ASN A 30 -1.802 10.650 5.889 1.00 1.11 O flip ATOM 495 ND2 ASN A 30 -1.829 12.611 4.929 1.00 1.06 N flip ATOM 0 H ASN A 30 -0.652 8.680 2.310 1.00 0.99 H new ATOM 0 HA ASN A 30 -2.982 9.889 3.463 1.00 1.03 H new ATOM 0 HB2 ASN A 30 -0.255 10.083 3.818 1.00 1.08 H new ATOM 0 HB3 ASN A 30 -0.576 11.578 2.962 1.00 1.08 H new ATOM 0 HD21 ASN A 30 -1.662 13.212 4.122 1.00 1.06 H new ATOM 0 HD22 ASN A 30 -2.197 13.009 5.793 1.00 1.06 H new ATOM 502 N LYS A 31 -2.262 10.727 0.454 1.00 1.07 N ATOM 503 CA LYS A 31 -2.696 11.579 -0.676 1.00 1.11 C ATOM 504 C LYS A 31 -4.119 11.176 -1.042 1.00 1.06 C ATOM 505 O LYS A 31 -5.026 11.980 -1.001 1.00 1.08 O ATOM 506 CB LYS A 31 -1.739 11.372 -1.880 1.00 1.13 C ATOM 507 CG LYS A 31 -0.821 12.594 -2.062 1.00 1.18 C ATOM 508 CD LYS A 31 -1.577 13.703 -2.801 1.00 1.19 C ATOM 509 CE LYS A 31 -0.829 15.028 -2.644 1.00 1.23 C ATOM 510 NZ LYS A 31 -0.885 15.464 -1.220 1.00 1.29 N ATOM 0 H LYS A 31 -1.666 9.939 0.201 1.00 1.07 H new ATOM 0 HA LYS A 31 -2.670 12.634 -0.402 1.00 1.11 H new ATOM 0 HB2 LYS A 31 -1.136 10.478 -1.722 1.00 1.13 H new ATOM 0 HB3 LYS A 31 -2.319 11.208 -2.788 1.00 1.13 H new ATOM 0 HG2 LYS A 31 -0.484 12.956 -1.090 1.00 1.18 H new ATOM 0 HG3 LYS A 31 0.070 12.311 -2.623 1.00 1.18 H new ATOM 0 HD2 LYS A 31 -1.672 13.451 -3.857 1.00 1.19 H new ATOM 0 HD3 LYS A 31 -2.588 13.795 -2.403 1.00 1.19 H new ATOM 0 HE2 LYS A 31 0.208 14.912 -2.960 1.00 1.23 H new ATOM 0 HE3 LYS A 31 -1.275 15.788 -3.286 1.00 1.23 H new ATOM 0 HZ1 LYS A 31 -0.810 16.500 -1.171 1.00 1.29 H new ATOM 0 HZ2 LYS A 31 -1.787 15.162 -0.800 1.00 1.29 H new ATOM 0 HZ3 LYS A 31 -0.097 15.035 -0.694 1.00 1.29 H new ATOM 524 N HIS A 32 -4.339 9.934 -1.371 1.00 1.01 N ATOM 525 CA HIS A 32 -5.704 9.523 -1.713 1.00 0.97 C ATOM 526 C HIS A 32 -6.599 9.816 -0.521 1.00 0.95 C ATOM 527 O HIS A 32 -7.792 10.000 -0.627 1.00 0.95 O ATOM 528 CB HIS A 32 -5.670 8.027 -2.052 1.00 0.91 C ATOM 529 CG HIS A 32 -5.995 7.154 -0.856 1.00 0.93 C ATOM 530 ND1 HIS A 32 -5.123 6.185 -0.385 1.00 0.89 N ATOM 531 CD2 HIS A 32 -7.125 7.038 -0.088 1.00 0.98 C ATOM 532 CE1 HIS A 32 -5.746 5.530 0.613 1.00 0.93 C ATOM 533 NE2 HIS A 32 -6.968 6.013 0.836 1.00 0.98 N ATOM 0 H HIS A 32 -3.632 9.200 -1.414 1.00 1.01 H new ATOM 0 HA HIS A 32 -6.097 10.065 -2.573 1.00 0.97 H new ATOM 0 HB2 HIS A 32 -6.382 7.822 -2.851 1.00 0.91 H new ATOM 0 HB3 HIS A 32 -4.682 7.766 -2.431 1.00 0.91 H new ATOM 0 HD2 HIS A 32 -8.007 7.653 -0.187 1.00 0.98 H new ATOM 0 HE1 HIS A 32 -5.308 4.712 1.166 1.00 0.93 H new ATOM 0 HE2 HIS A 32 -7.642 5.698 1.534 1.00 0.98 H new ATOM 541 N LEU A 33 -6.001 9.873 0.614 1.00 0.95 N ATOM 542 CA LEU A 33 -6.757 10.167 1.850 1.00 0.94 C ATOM 543 C LEU A 33 -6.844 11.675 1.980 1.00 1.01 C ATOM 544 O LEU A 33 -7.908 12.228 2.177 1.00 1.02 O ATOM 545 CB LEU A 33 -6.006 9.582 3.032 1.00 0.92 C ATOM 546 CG LEU A 33 -6.183 8.058 3.084 1.00 0.85 C ATOM 547 CD1 LEU A 33 -5.315 7.496 4.210 1.00 0.82 C ATOM 548 CD2 LEU A 33 -7.661 7.682 3.334 1.00 0.84 C ATOM 0 H LEU A 33 -5.000 9.726 0.747 1.00 0.95 H new ATOM 0 HA LEU A 33 -7.757 9.734 1.820 1.00 0.94 H new ATOM 0 HB2 LEU A 33 -4.947 9.828 2.955 1.00 0.92 H new ATOM 0 HB3 LEU A 33 -6.370 10.028 3.958 1.00 0.92 H new ATOM 0 HG LEU A 33 -5.880 7.635 2.126 1.00 0.85 H new ATOM 0 HD11 LEU A 33 -5.434 6.413 4.255 1.00 0.82 H new ATOM 0 HD12 LEU A 33 -4.270 7.739 4.019 1.00 0.82 H new ATOM 0 HD13 LEU A 33 -5.622 7.935 5.159 1.00 0.82 H new ATOM 0 HD21 LEU A 33 -7.760 6.597 3.367 1.00 0.84 H new ATOM 0 HD22 LEU A 33 -7.988 8.105 4.284 1.00 0.84 H new ATOM 0 HD23 LEU A 33 -8.279 8.079 2.528 1.00 0.84 H new ATOM 560 N ASN A 34 -5.728 12.351 1.859 1.00 1.05 N ATOM 561 CA ASN A 34 -5.753 13.841 1.961 1.00 1.12 C ATOM 562 C ASN A 34 -6.949 14.402 1.174 1.00 1.14 C ATOM 563 O ASN A 34 -7.481 15.436 1.527 1.00 1.18 O ATOM 564 CB ASN A 34 -4.460 14.447 1.398 1.00 1.18 C ATOM 565 CG ASN A 34 -4.591 15.972 1.322 1.00 1.25 C ATOM 566 OD1 ASN A 34 -5.399 16.487 0.575 1.00 1.26 O ATOM 567 ND2 ASN A 34 -3.826 16.718 2.071 1.00 1.29 N ATOM 0 H ASN A 34 -4.809 11.939 1.696 1.00 1.05 H new ATOM 0 HA ASN A 34 -5.843 14.106 3.014 1.00 1.12 H new ATOM 0 HB2 ASN A 34 -3.615 14.177 2.031 1.00 1.18 H new ATOM 0 HB3 ASN A 34 -4.258 14.040 0.407 1.00 1.18 H new ATOM 0 HD21 ASN A 34 -3.906 17.734 2.030 1.00 1.29 H new ATOM 0 HD22 ASN A 34 -3.148 16.285 2.698 1.00 1.29 H new ATOM 574 N LYS A 35 -7.400 13.753 0.114 1.00 1.11 N ATOM 575 CA LYS A 35 -8.573 14.348 -0.611 1.00 1.13 C ATOM 576 C LYS A 35 -9.711 14.532 0.398 1.00 1.11 C ATOM 577 O LYS A 35 -10.152 15.632 0.668 1.00 1.16 O ATOM 578 CB LYS A 35 -9.060 13.436 -1.752 1.00 1.10 C ATOM 579 CG LYS A 35 -7.897 12.668 -2.363 1.00 0.97 C ATOM 580 CD LYS A 35 -6.815 13.627 -2.874 1.00 1.01 C ATOM 581 CE LYS A 35 -5.773 12.838 -3.694 1.00 1.10 C ATOM 582 NZ LYS A 35 -5.401 13.618 -4.907 1.00 1.15 N ATOM 0 H LYS A 35 -7.027 12.882 -0.263 1.00 1.11 H new ATOM 0 HA LYS A 35 -8.269 15.299 -1.049 1.00 1.13 H new ATOM 0 HB2 LYS A 35 -9.804 12.736 -1.372 1.00 1.10 H new ATOM 0 HB3 LYS A 35 -9.549 14.036 -2.520 1.00 1.10 H new ATOM 0 HG2 LYS A 35 -7.470 11.995 -1.620 1.00 0.97 H new ATOM 0 HG3 LYS A 35 -8.257 12.049 -3.185 1.00 0.97 H new ATOM 0 HD2 LYS A 35 -7.265 14.405 -3.491 1.00 1.01 H new ATOM 0 HD3 LYS A 35 -6.331 14.126 -2.035 1.00 1.01 H new ATOM 0 HE2 LYS A 35 -4.888 12.645 -3.088 1.00 1.10 H new ATOM 0 HE3 LYS A 35 -6.180 11.869 -3.983 1.00 1.10 H new ATOM 0 HZ1 LYS A 35 -4.862 13.012 -5.558 1.00 1.15 H new ATOM 0 HZ2 LYS A 35 -6.263 13.955 -5.381 1.00 1.15 H new ATOM 0 HZ3 LYS A 35 -4.817 14.433 -4.630 1.00 1.15 H new ATOM 596 N LEU A 36 -10.164 13.453 0.973 1.00 1.04 N ATOM 597 CA LEU A 36 -11.250 13.537 1.990 1.00 1.02 C ATOM 598 C LEU A 36 -10.631 14.065 3.286 1.00 1.05 C ATOM 599 O LEU A 36 -11.238 14.083 4.335 1.00 1.03 O ATOM 600 CB LEU A 36 -11.816 12.135 2.207 1.00 0.95 C ATOM 601 CG LEU A 36 -13.164 12.187 2.949 1.00 0.94 C ATOM 602 CD1 LEU A 36 -14.237 12.874 2.079 1.00 0.97 C ATOM 603 CD2 LEU A 36 -13.602 10.753 3.273 1.00 0.89 C ATOM 0 H LEU A 36 -9.826 12.510 0.781 1.00 1.04 H new ATOM 0 HA LEU A 36 -12.053 14.200 1.667 1.00 1.02 H new ATOM 0 HB2 LEU A 36 -11.947 11.640 1.245 1.00 0.95 H new ATOM 0 HB3 LEU A 36 -11.106 11.538 2.779 1.00 0.95 H new ATOM 0 HG LEU A 36 -13.048 12.763 3.867 1.00 0.94 H new ATOM 0 HD11 LEU A 36 -15.182 12.901 2.621 1.00 0.97 H new ATOM 0 HD12 LEU A 36 -13.922 13.892 1.849 1.00 0.97 H new ATOM 0 HD13 LEU A 36 -14.366 12.315 1.152 1.00 0.97 H new ATOM 0 HD21 LEU A 36 -14.556 10.774 3.799 1.00 0.89 H new ATOM 0 HD22 LEU A 36 -13.710 10.188 2.347 1.00 0.89 H new ATOM 0 HD23 LEU A 36 -12.851 10.277 3.903 1.00 0.89 H new ATOM 615 N ASN A 37 -9.405 14.484 3.185 1.00 1.11 N ATOM 616 CA ASN A 37 -8.644 15.029 4.339 1.00 1.16 C ATOM 617 C ASN A 37 -8.668 14.094 5.546 1.00 1.11 C ATOM 618 O ASN A 37 -9.225 14.395 6.581 1.00 1.12 O ATOM 619 CB ASN A 37 -9.160 16.410 4.704 1.00 1.22 C ATOM 620 CG ASN A 37 -10.545 16.343 5.354 1.00 1.19 C ATOM 621 OD1 ASN A 37 -11.608 16.437 4.602 1.00 1.16 O flip ATOM 622 ND2 ASN A 37 -10.664 16.223 6.557 1.00 1.21 N flip ATOM 0 H ASN A 37 -8.877 14.470 2.312 1.00 1.11 H new ATOM 0 HA ASN A 37 -7.601 15.113 4.034 1.00 1.16 H new ATOM 0 HB2 ASN A 37 -8.460 16.891 5.387 1.00 1.22 H new ATOM 0 HB3 ASN A 37 -9.208 17.029 3.808 1.00 1.22 H new ATOM 0 HD21 ASN A 37 -9.835 16.149 7.147 1.00 1.21 H new ATOM 0 HD22 ASN A 37 -11.593 16.196 6.977 1.00 1.21 H new ATOM 629 N LEU A 38 -8.003 12.979 5.417 1.00 1.06 N ATOM 630 CA LEU A 38 -7.895 11.991 6.551 1.00 1.02 C ATOM 631 C LEU A 38 -6.407 11.860 6.910 1.00 1.02 C ATOM 632 O LEU A 38 -5.639 12.782 6.722 1.00 1.06 O ATOM 633 CB LEU A 38 -8.475 10.620 6.132 1.00 0.98 C ATOM 634 CG LEU A 38 -10.000 10.567 6.366 1.00 0.97 C ATOM 635 CD1 LEU A 38 -10.322 10.538 7.876 1.00 0.96 C ATOM 636 CD2 LEU A 38 -10.677 11.780 5.709 1.00 1.02 C ATOM 0 H LEU A 38 -7.519 12.698 4.564 1.00 1.06 H new ATOM 0 HA LEU A 38 -8.465 12.337 7.413 1.00 1.02 H new ATOM 0 HB2 LEU A 38 -8.259 10.436 5.080 1.00 0.98 H new ATOM 0 HB3 LEU A 38 -7.989 9.827 6.700 1.00 0.98 H new ATOM 0 HG LEU A 38 -10.385 9.653 5.913 1.00 0.97 H new ATOM 0 HD11 LEU A 38 -11.402 10.501 8.017 1.00 0.96 H new ATOM 0 HD12 LEU A 38 -9.866 9.657 8.328 1.00 0.96 H new ATOM 0 HD13 LEU A 38 -9.925 11.436 8.350 1.00 0.96 H new ATOM 0 HD21 LEU A 38 -11.753 11.733 5.880 1.00 1.02 H new ATOM 0 HD22 LEU A 38 -10.280 12.698 6.143 1.00 1.02 H new ATOM 0 HD23 LEU A 38 -10.479 11.771 4.637 1.00 1.02 H new ATOM 648 N GLU A 39 -5.990 10.739 7.425 1.00 1.02 N ATOM 649 CA GLU A 39 -4.552 10.581 7.791 1.00 1.03 C ATOM 650 C GLU A 39 -4.235 9.113 8.104 1.00 0.98 C ATOM 651 O GLU A 39 -4.778 8.532 9.022 1.00 0.95 O ATOM 652 CB GLU A 39 -4.248 11.439 9.021 1.00 1.08 C ATOM 653 CG GLU A 39 -2.735 11.509 9.239 1.00 1.11 C ATOM 654 CD GLU A 39 -2.428 12.478 10.382 1.00 1.16 C ATOM 655 OE1 GLU A 39 -3.250 13.343 10.636 1.00 1.13 O ATOM 656 OE2 GLU A 39 -1.376 12.339 10.984 1.00 1.24 O ATOM 0 H GLU A 39 -6.578 9.926 7.609 1.00 1.02 H new ATOM 0 HA GLU A 39 -3.936 10.901 6.950 1.00 1.03 H new ATOM 0 HB2 GLU A 39 -4.653 12.442 8.886 1.00 1.08 H new ATOM 0 HB3 GLU A 39 -4.733 11.016 9.901 1.00 1.08 H new ATOM 0 HG2 GLU A 39 -2.344 10.519 9.473 1.00 1.11 H new ATOM 0 HG3 GLU A 39 -2.240 11.839 8.326 1.00 1.11 H new ATOM 663 N VAL A 40 -3.346 8.517 7.354 1.00 0.98 N ATOM 664 CA VAL A 40 -2.968 7.088 7.605 1.00 0.94 C ATOM 665 C VAL A 40 -1.753 7.046 8.536 1.00 0.95 C ATOM 666 O VAL A 40 -1.030 8.013 8.666 1.00 0.99 O ATOM 667 CB VAL A 40 -2.618 6.419 6.272 1.00 0.91 C ATOM 668 CG1 VAL A 40 -1.590 7.285 5.498 1.00 0.94 C ATOM 669 CG2 VAL A 40 -2.047 5.016 6.542 1.00 0.89 C ATOM 0 H VAL A 40 -2.861 8.958 6.573 1.00 0.98 H new ATOM 0 HA VAL A 40 -3.800 6.559 8.069 1.00 0.94 H new ATOM 0 HB VAL A 40 -3.517 6.326 5.662 1.00 0.91 H new ATOM 0 HG11 VAL A 40 -1.347 6.802 4.552 1.00 0.94 H new ATOM 0 HG12 VAL A 40 -2.016 8.269 5.304 1.00 0.94 H new ATOM 0 HG13 VAL A 40 -0.684 7.393 6.094 1.00 0.94 H new ATOM 0 HG21 VAL A 40 -1.797 4.537 5.596 1.00 0.89 H new ATOM 0 HG22 VAL A 40 -1.149 5.100 7.155 1.00 0.89 H new ATOM 0 HG23 VAL A 40 -2.790 4.416 7.067 1.00 0.89 H new ATOM 679 N THR A 41 -1.530 5.934 9.195 1.00 0.93 N ATOM 680 CA THR A 41 -0.364 5.834 10.131 1.00 0.95 C ATOM 681 C THR A 41 0.282 4.446 10.046 1.00 0.91 C ATOM 682 O THR A 41 1.450 4.287 10.342 1.00 0.96 O ATOM 683 CB THR A 41 -0.857 6.052 11.569 1.00 1.01 C ATOM 684 OG1 THR A 41 -1.938 6.975 11.561 1.00 1.12 O ATOM 685 CG2 THR A 41 0.278 6.601 12.439 1.00 1.20 C ATOM 0 H THR A 41 -2.103 5.093 9.126 1.00 0.93 H new ATOM 0 HA THR A 41 0.371 6.589 9.853 1.00 0.95 H new ATOM 0 HB THR A 41 -1.189 5.099 11.981 1.00 1.01 H new ATOM 0 HG1 THR A 41 -2.256 7.115 12.478 1.00 1.12 H new ATOM 0 HG21 THR A 41 -0.083 6.752 13.456 1.00 1.20 H new ATOM 0 HG22 THR A 41 1.105 5.891 12.449 1.00 1.20 H new ATOM 0 HG23 THR A 41 0.621 7.552 12.032 1.00 1.20 H new ATOM 693 N GLU A 42 -0.472 3.436 9.682 1.00 0.86 N ATOM 694 CA GLU A 42 0.099 2.050 9.619 1.00 0.83 C ATOM 695 C GLU A 42 -0.119 1.450 8.239 1.00 0.81 C ATOM 696 O GLU A 42 -1.059 0.718 8.012 1.00 0.88 O ATOM 697 CB GLU A 42 -0.595 1.176 10.664 1.00 0.78 C ATOM 698 CG GLU A 42 -0.318 1.738 12.060 1.00 0.77 C ATOM 699 CD GLU A 42 -1.048 0.894 13.106 1.00 0.78 C ATOM 700 OE1 GLU A 42 -2.267 0.866 13.070 1.00 0.83 O ATOM 701 OE2 GLU A 42 -0.375 0.291 13.926 1.00 0.84 O ATOM 0 H GLU A 42 -1.457 3.510 9.426 1.00 0.86 H new ATOM 0 HA GLU A 42 1.170 2.096 9.818 1.00 0.83 H new ATOM 0 HB2 GLU A 42 -1.668 1.149 10.477 1.00 0.78 H new ATOM 0 HB3 GLU A 42 -0.234 0.150 10.594 1.00 0.78 H new ATOM 0 HG2 GLU A 42 0.754 1.735 12.259 1.00 0.77 H new ATOM 0 HG3 GLU A 42 -0.650 2.775 12.118 1.00 0.77 H new ATOM 708 N LEU A 43 0.757 1.728 7.317 1.00 0.80 N ATOM 709 CA LEU A 43 0.602 1.148 5.963 1.00 0.78 C ATOM 710 C LEU A 43 0.500 -0.371 6.107 1.00 0.74 C ATOM 711 O LEU A 43 -0.338 -1.020 5.516 1.00 0.70 O ATOM 712 CB LEU A 43 1.826 1.543 5.119 1.00 0.86 C ATOM 713 CG LEU A 43 1.846 0.807 3.766 1.00 0.83 C ATOM 714 CD1 LEU A 43 2.288 -0.666 3.924 1.00 0.85 C ATOM 715 CD2 LEU A 43 0.455 0.890 3.112 1.00 0.90 C ATOM 0 H LEU A 43 1.570 2.330 7.445 1.00 0.80 H new ATOM 0 HA LEU A 43 -0.295 1.519 5.468 1.00 0.78 H new ATOM 0 HB2 LEU A 43 1.818 2.619 4.948 1.00 0.86 H new ATOM 0 HB3 LEU A 43 2.738 1.315 5.671 1.00 0.86 H new ATOM 0 HG LEU A 43 2.577 1.295 3.122 1.00 0.83 H new ATOM 0 HD11 LEU A 43 2.290 -1.152 2.948 1.00 0.85 H new ATOM 0 HD12 LEU A 43 3.291 -0.701 4.349 1.00 0.85 H new ATOM 0 HD13 LEU A 43 1.595 -1.185 4.587 1.00 0.85 H new ATOM 0 HD21 LEU A 43 0.471 0.369 2.155 1.00 0.90 H new ATOM 0 HD22 LEU A 43 -0.283 0.425 3.766 1.00 0.90 H new ATOM 0 HD23 LEU A 43 0.190 1.935 2.951 1.00 0.90 H new ATOM 727 N GLU A 44 1.356 -0.947 6.891 1.00 0.79 N ATOM 728 CA GLU A 44 1.320 -2.429 7.067 1.00 0.77 C ATOM 729 C GLU A 44 -0.123 -2.933 7.316 1.00 0.69 C ATOM 730 O GLU A 44 -0.674 -3.726 6.567 1.00 0.70 O ATOM 731 CB GLU A 44 2.208 -2.815 8.274 1.00 0.83 C ATOM 732 CG GLU A 44 3.096 -1.640 8.673 1.00 0.84 C ATOM 733 CD GLU A 44 4.048 -2.074 9.788 1.00 0.99 C ATOM 734 OE1 GLU A 44 3.725 -3.028 10.477 1.00 1.11 O ATOM 735 OE2 GLU A 44 5.084 -1.447 9.933 1.00 1.14 O ATOM 0 H GLU A 44 2.081 -0.463 7.420 1.00 0.79 H new ATOM 0 HA GLU A 44 1.691 -2.893 6.153 1.00 0.77 H new ATOM 0 HB2 GLU A 44 1.582 -3.109 9.116 1.00 0.83 H new ATOM 0 HB3 GLU A 44 2.825 -3.677 8.020 1.00 0.83 H new ATOM 0 HG2 GLU A 44 3.664 -1.291 7.811 1.00 0.84 H new ATOM 0 HG3 GLU A 44 2.482 -0.805 9.009 1.00 0.84 H new ATOM 742 N THR A 45 -0.718 -2.503 8.384 1.00 0.65 N ATOM 743 CA THR A 45 -2.091 -2.975 8.727 1.00 0.60 C ATOM 744 C THR A 45 -3.150 -2.284 7.872 1.00 0.58 C ATOM 745 O THR A 45 -4.325 -2.558 8.003 1.00 0.58 O ATOM 746 CB THR A 45 -2.369 -2.677 10.202 1.00 0.65 C ATOM 747 OG1 THR A 45 -2.179 -1.291 10.447 1.00 0.84 O ATOM 748 CG2 THR A 45 -1.415 -3.489 11.078 1.00 0.64 C ATOM 0 H THR A 45 -0.314 -1.839 9.044 1.00 0.65 H new ATOM 0 HA THR A 45 -2.141 -4.047 8.534 1.00 0.60 H new ATOM 0 HB THR A 45 -3.397 -2.950 10.441 1.00 0.65 H new ATOM 0 HG1 THR A 45 -2.509 -1.069 11.343 1.00 0.84 H new ATOM 0 HG21 THR A 45 -1.614 -3.275 12.128 1.00 0.64 H new ATOM 0 HG22 THR A 45 -1.564 -4.552 10.889 1.00 0.64 H new ATOM 0 HG23 THR A 45 -0.386 -3.219 10.842 1.00 0.64 H new ATOM 756 N GLN A 46 -2.772 -1.406 6.991 1.00 0.59 N ATOM 757 CA GLN A 46 -3.800 -0.743 6.162 1.00 0.59 C ATOM 758 C GLN A 46 -4.286 -1.740 5.129 1.00 0.54 C ATOM 759 O GLN A 46 -5.356 -1.597 4.571 1.00 0.58 O ATOM 760 CB GLN A 46 -3.220 0.499 5.481 1.00 0.65 C ATOM 761 CG GLN A 46 -3.218 1.682 6.478 1.00 0.66 C ATOM 762 CD GLN A 46 -4.449 2.571 6.257 1.00 0.78 C ATOM 763 OE1 GLN A 46 -4.529 3.285 5.277 1.00 0.81 O ATOM 764 NE2 GLN A 46 -5.416 2.555 7.134 1.00 1.04 N ATOM 0 H GLN A 46 -1.808 -1.124 6.813 1.00 0.59 H new ATOM 0 HA GLN A 46 -4.632 -0.417 6.786 1.00 0.59 H new ATOM 0 HB2 GLN A 46 -2.205 0.298 5.137 1.00 0.65 H new ATOM 0 HB3 GLN A 46 -3.810 0.753 4.601 1.00 0.65 H new ATOM 0 HG2 GLN A 46 -3.214 1.304 7.500 1.00 0.66 H new ATOM 0 HG3 GLN A 46 -2.309 2.271 6.352 1.00 0.66 H new ATOM 0 HE21 GLN A 46 -5.349 1.956 7.957 1.00 1.04 H new ATOM 0 HE22 GLN A 46 -6.239 3.142 6.997 1.00 1.04 H new ATOM 773 N PHE A 47 -3.523 -2.781 4.896 1.00 0.50 N ATOM 774 CA PHE A 47 -3.953 -3.811 3.937 1.00 0.49 C ATOM 775 C PHE A 47 -4.583 -4.910 4.755 1.00 0.46 C ATOM 776 O PHE A 47 -5.321 -5.733 4.259 1.00 0.49 O ATOM 777 CB PHE A 47 -2.750 -4.341 3.157 1.00 0.54 C ATOM 778 CG PHE A 47 -2.481 -3.448 1.962 1.00 0.63 C ATOM 779 CD1 PHE A 47 -2.002 -2.146 2.156 1.00 0.75 C ATOM 780 CD2 PHE A 47 -2.711 -3.920 0.665 1.00 0.71 C ATOM 781 CE1 PHE A 47 -1.754 -1.320 1.052 1.00 0.87 C ATOM 782 CE2 PHE A 47 -2.462 -3.095 -0.438 1.00 0.83 C ATOM 783 CZ PHE A 47 -1.984 -1.794 -0.244 1.00 0.89 C ATOM 0 H PHE A 47 -2.619 -2.950 5.338 1.00 0.50 H new ATOM 0 HA PHE A 47 -4.658 -3.411 3.208 1.00 0.49 H new ATOM 0 HB2 PHE A 47 -1.872 -4.375 3.803 1.00 0.54 H new ATOM 0 HB3 PHE A 47 -2.941 -5.361 2.825 1.00 0.54 H new ATOM 0 HD1 PHE A 47 -1.824 -1.779 3.156 1.00 0.75 H new ATOM 0 HD2 PHE A 47 -3.082 -4.923 0.515 1.00 0.71 H new ATOM 0 HE1 PHE A 47 -1.385 -0.316 1.202 1.00 0.87 H new ATOM 0 HE2 PHE A 47 -2.639 -3.462 -1.438 1.00 0.83 H new ATOM 0 HZ PHE A 47 -1.793 -1.156 -1.094 1.00 0.89 H new ATOM 793 N ALA A 48 -4.332 -4.887 6.031 1.00 0.42 N ATOM 794 CA ALA A 48 -4.946 -5.899 6.935 1.00 0.40 C ATOM 795 C ALA A 48 -6.442 -5.642 6.987 1.00 0.36 C ATOM 796 O ALA A 48 -7.111 -5.929 7.959 1.00 0.36 O ATOM 797 CB ALA A 48 -4.346 -5.793 8.339 1.00 0.42 C ATOM 0 H ALA A 48 -3.725 -4.208 6.491 1.00 0.42 H new ATOM 0 HA ALA A 48 -4.748 -6.903 6.558 1.00 0.40 H new ATOM 0 HB1 ALA A 48 -4.805 -6.539 8.988 1.00 0.42 H new ATOM 0 HB2 ALA A 48 -3.271 -5.967 8.289 1.00 0.42 H new ATOM 0 HB3 ALA A 48 -4.534 -4.797 8.741 1.00 0.42 H new ATOM 803 N ASP A 49 -6.957 -5.092 5.931 1.00 0.34 N ATOM 804 CA ASP A 49 -8.404 -4.784 5.865 1.00 0.32 C ATOM 805 C ASP A 49 -8.759 -4.360 4.435 1.00 0.31 C ATOM 806 O ASP A 49 -9.905 -4.379 4.035 1.00 0.31 O ATOM 807 CB ASP A 49 -8.698 -3.648 6.846 1.00 0.32 C ATOM 808 CG ASP A 49 -8.083 -2.342 6.333 1.00 0.33 C ATOM 809 OD1 ASP A 49 -8.622 -1.784 5.394 1.00 0.36 O ATOM 810 OD2 ASP A 49 -7.082 -1.923 6.892 1.00 0.34 O ATOM 0 H ASP A 49 -6.427 -4.839 5.097 1.00 0.34 H new ATOM 0 HA ASP A 49 -9.000 -5.657 6.131 1.00 0.32 H new ATOM 0 HB2 ASP A 49 -9.775 -3.530 6.967 1.00 0.32 H new ATOM 0 HB3 ASP A 49 -8.292 -3.890 7.828 1.00 0.32 H new ATOM 815 N GLY A 50 -7.771 -3.993 3.662 1.00 0.32 N ATOM 816 CA GLY A 50 -8.022 -3.571 2.248 1.00 0.33 C ATOM 817 C GLY A 50 -9.213 -2.597 2.160 1.00 0.33 C ATOM 818 O GLY A 50 -9.677 -2.271 1.081 1.00 0.34 O ATOM 0 H GLY A 50 -6.793 -3.967 3.950 1.00 0.32 H new ATOM 0 HA2 GLY A 50 -7.129 -3.095 1.844 1.00 0.33 H new ATOM 0 HA3 GLY A 50 -8.221 -4.449 1.634 1.00 0.33 H new ATOM 822 N VAL A 51 -9.717 -2.123 3.269 1.00 0.33 N ATOM 823 CA VAL A 51 -10.874 -1.178 3.209 1.00 0.36 C ATOM 824 C VAL A 51 -10.378 0.201 2.779 1.00 0.40 C ATOM 825 O VAL A 51 -10.766 0.721 1.751 1.00 0.42 O ATOM 826 CB VAL A 51 -11.508 -1.057 4.593 1.00 0.37 C ATOM 827 CG1 VAL A 51 -12.604 0.013 4.569 1.00 0.43 C ATOM 828 CG2 VAL A 51 -12.121 -2.401 5.004 1.00 0.36 C ATOM 0 H VAL A 51 -9.382 -2.346 4.206 1.00 0.33 H new ATOM 0 HA VAL A 51 -11.607 -1.554 2.496 1.00 0.36 H new ATOM 0 HB VAL A 51 -10.739 -0.774 5.312 1.00 0.37 H new ATOM 0 HG11 VAL A 51 -13.053 0.096 5.559 1.00 0.43 H new ATOM 0 HG12 VAL A 51 -12.170 0.972 4.286 1.00 0.43 H new ATOM 0 HG13 VAL A 51 -13.369 -0.266 3.845 1.00 0.43 H new ATOM 0 HG21 VAL A 51 -12.572 -2.308 5.992 1.00 0.36 H new ATOM 0 HG22 VAL A 51 -12.885 -2.688 4.282 1.00 0.36 H new ATOM 0 HG23 VAL A 51 -11.342 -3.163 5.030 1.00 0.36 H new ATOM 838 N TYR A 52 -9.511 0.794 3.551 1.00 0.41 N ATOM 839 CA TYR A 52 -8.988 2.132 3.171 1.00 0.47 C ATOM 840 C TYR A 52 -8.413 2.027 1.763 1.00 0.47 C ATOM 841 O TYR A 52 -8.115 3.012 1.114 1.00 0.51 O ATOM 842 CB TYR A 52 -7.889 2.551 4.150 1.00 0.49 C ATOM 843 CG TYR A 52 -8.454 2.586 5.551 1.00 0.51 C ATOM 844 CD1 TYR A 52 -9.325 3.616 5.927 1.00 0.48 C ATOM 845 CD2 TYR A 52 -8.110 1.589 6.474 1.00 0.57 C ATOM 846 CE1 TYR A 52 -9.852 3.650 7.224 1.00 0.51 C ATOM 847 CE2 TYR A 52 -8.637 1.624 7.770 1.00 0.60 C ATOM 848 CZ TYR A 52 -9.507 2.654 8.145 1.00 0.57 C ATOM 849 OH TYR A 52 -10.027 2.687 9.424 1.00 0.60 O ATOM 0 H TYR A 52 -9.145 0.412 4.423 1.00 0.41 H new ATOM 0 HA TYR A 52 -9.784 2.876 3.201 1.00 0.47 H new ATOM 0 HB2 TYR A 52 -7.055 1.851 4.099 1.00 0.49 H new ATOM 0 HB3 TYR A 52 -7.499 3.532 3.878 1.00 0.49 H new ATOM 0 HD1 TYR A 52 -9.590 4.385 5.216 1.00 0.48 H new ATOM 0 HD2 TYR A 52 -7.438 0.794 6.185 1.00 0.57 H new ATOM 0 HE1 TYR A 52 -10.524 4.444 7.513 1.00 0.51 H new ATOM 0 HE2 TYR A 52 -8.372 0.856 8.481 1.00 0.60 H new ATOM 0 HH TYR A 52 -9.688 1.923 9.935 1.00 0.60 H new ATOM 859 N LEU A 53 -8.258 0.821 1.294 1.00 0.43 N ATOM 860 CA LEU A 53 -7.697 0.607 -0.071 1.00 0.44 C ATOM 861 C LEU A 53 -8.791 0.851 -1.118 1.00 0.45 C ATOM 862 O LEU A 53 -8.614 1.621 -2.044 1.00 0.50 O ATOM 863 CB LEU A 53 -7.164 -0.829 -0.159 1.00 0.41 C ATOM 864 CG LEU A 53 -6.128 -0.990 -1.287 1.00 0.44 C ATOM 865 CD1 LEU A 53 -4.927 -0.037 -1.084 1.00 0.44 C ATOM 866 CD2 LEU A 53 -5.636 -2.442 -1.269 1.00 0.46 C ATOM 0 H LEU A 53 -8.497 -0.032 1.800 1.00 0.43 H new ATOM 0 HA LEU A 53 -6.881 1.303 -0.264 1.00 0.44 H new ATOM 0 HB2 LEU A 53 -6.710 -1.107 0.792 1.00 0.41 H new ATOM 0 HB3 LEU A 53 -7.994 -1.515 -0.328 1.00 0.41 H new ATOM 0 HG LEU A 53 -6.591 -0.743 -2.242 1.00 0.44 H new ATOM 0 HD11 LEU A 53 -4.213 -0.174 -1.896 1.00 0.44 H new ATOM 0 HD12 LEU A 53 -5.278 0.995 -1.080 1.00 0.44 H new ATOM 0 HD13 LEU A 53 -4.443 -0.260 -0.133 1.00 0.44 H new ATOM 0 HD21 LEU A 53 -4.899 -2.586 -2.059 1.00 0.46 H new ATOM 0 HD22 LEU A 53 -5.180 -2.660 -0.303 1.00 0.46 H new ATOM 0 HD23 LEU A 53 -6.479 -3.114 -1.432 1.00 0.46 H new ATOM 878 N VAL A 54 -9.938 0.240 -0.988 1.00 0.43 N ATOM 879 CA VAL A 54 -10.998 0.520 -1.993 1.00 0.46 C ATOM 880 C VAL A 54 -11.220 2.043 -1.996 1.00 0.51 C ATOM 881 O VAL A 54 -11.526 2.654 -3.012 1.00 0.55 O ATOM 882 CB VAL A 54 -12.279 -0.234 -1.603 1.00 0.44 C ATOM 883 CG1 VAL A 54 -13.502 0.409 -2.263 1.00 0.49 C ATOM 884 CG2 VAL A 54 -12.170 -1.694 -2.057 1.00 0.41 C ATOM 0 H VAL A 54 -10.181 -0.422 -0.251 1.00 0.43 H new ATOM 0 HA VAL A 54 -10.713 0.186 -2.991 1.00 0.46 H new ATOM 0 HB VAL A 54 -12.396 -0.188 -0.520 1.00 0.44 H new ATOM 0 HG11 VAL A 54 -14.400 -0.138 -1.976 1.00 0.49 H new ATOM 0 HG12 VAL A 54 -13.588 1.446 -1.937 1.00 0.49 H new ATOM 0 HG13 VAL A 54 -13.389 0.378 -3.347 1.00 0.49 H new ATOM 0 HG21 VAL A 54 -13.078 -2.230 -1.781 1.00 0.41 H new ATOM 0 HG22 VAL A 54 -12.042 -1.730 -3.139 1.00 0.41 H new ATOM 0 HG23 VAL A 54 -11.312 -2.162 -1.575 1.00 0.41 H new ATOM 894 N LEU A 55 -11.025 2.663 -0.861 1.00 0.52 N ATOM 895 CA LEU A 55 -11.182 4.139 -0.786 1.00 0.58 C ATOM 896 C LEU A 55 -10.146 4.771 -1.718 1.00 0.62 C ATOM 897 O LEU A 55 -10.462 5.645 -2.479 1.00 0.66 O ATOM 898 CB LEU A 55 -10.952 4.613 0.670 1.00 0.59 C ATOM 899 CG LEU A 55 -12.296 4.921 1.359 1.00 0.60 C ATOM 900 CD1 LEU A 55 -12.132 4.846 2.880 1.00 0.58 C ATOM 901 CD2 LEU A 55 -12.766 6.328 0.973 1.00 0.67 C ATOM 0 H LEU A 55 -10.764 2.208 0.014 1.00 0.52 H new ATOM 0 HA LEU A 55 -12.187 4.435 -1.089 1.00 0.58 H new ATOM 0 HB2 LEU A 55 -10.419 3.844 1.229 1.00 0.59 H new ATOM 0 HB3 LEU A 55 -10.323 5.503 0.673 1.00 0.59 H new ATOM 0 HG LEU A 55 -13.034 4.187 1.036 1.00 0.60 H new ATOM 0 HD11 LEU A 55 -13.086 5.065 3.360 1.00 0.58 H new ATOM 0 HD12 LEU A 55 -11.805 3.845 3.162 1.00 0.58 H new ATOM 0 HD13 LEU A 55 -11.388 5.575 3.202 1.00 0.58 H new ATOM 0 HD21 LEU A 55 -13.716 6.541 1.462 1.00 0.67 H new ATOM 0 HD22 LEU A 55 -12.023 7.060 1.290 1.00 0.67 H new ATOM 0 HD23 LEU A 55 -12.894 6.385 -0.108 1.00 0.67 H new ATOM 913 N LEU A 56 -8.911 4.322 -1.681 1.00 0.62 N ATOM 914 CA LEU A 56 -7.878 4.905 -2.596 1.00 0.66 C ATOM 915 C LEU A 56 -8.468 4.950 -3.993 1.00 0.67 C ATOM 916 O LEU A 56 -8.569 5.992 -4.596 1.00 0.72 O ATOM 917 CB LEU A 56 -6.589 4.034 -2.535 1.00 0.65 C ATOM 918 CG LEU A 56 -5.823 3.992 -3.876 1.00 0.69 C ATOM 919 CD1 LEU A 56 -5.336 5.391 -4.259 1.00 0.72 C ATOM 920 CD2 LEU A 56 -4.608 3.076 -3.719 1.00 0.66 C ATOM 0 H LEU A 56 -8.577 3.583 -1.062 1.00 0.62 H new ATOM 0 HA LEU A 56 -7.602 5.917 -2.298 1.00 0.66 H new ATOM 0 HB2 LEU A 56 -5.930 4.424 -1.759 1.00 0.65 H new ATOM 0 HB3 LEU A 56 -6.857 3.018 -2.244 1.00 0.65 H new ATOM 0 HG LEU A 56 -6.490 3.622 -4.655 1.00 0.69 H new ATOM 0 HD11 LEU A 56 -4.799 5.343 -5.206 1.00 0.72 H new ATOM 0 HD12 LEU A 56 -6.191 6.059 -4.361 1.00 0.72 H new ATOM 0 HD13 LEU A 56 -4.671 5.770 -3.483 1.00 0.72 H new ATOM 0 HD21 LEU A 56 -4.058 3.037 -4.659 1.00 0.66 H new ATOM 0 HD22 LEU A 56 -3.959 3.464 -2.934 1.00 0.66 H new ATOM 0 HD23 LEU A 56 -4.941 2.073 -3.452 1.00 0.66 H new ATOM 932 N MET A 57 -8.877 3.831 -4.493 1.00 0.62 N ATOM 933 CA MET A 57 -9.474 3.804 -5.860 1.00 0.63 C ATOM 934 C MET A 57 -10.460 4.970 -6.038 1.00 0.68 C ATOM 935 O MET A 57 -10.519 5.592 -7.082 1.00 0.72 O ATOM 936 CB MET A 57 -10.214 2.480 -6.064 1.00 0.58 C ATOM 937 CG MET A 57 -9.211 1.326 -6.042 1.00 0.55 C ATOM 938 SD MET A 57 -8.264 1.319 -7.584 1.00 0.60 S ATOM 939 CE MET A 57 -6.954 0.196 -7.038 1.00 0.57 C ATOM 0 H MET A 57 -8.828 2.928 -4.021 1.00 0.62 H new ATOM 0 HA MET A 57 -8.675 3.902 -6.595 1.00 0.63 H new ATOM 0 HB2 MET A 57 -10.959 2.343 -5.280 1.00 0.58 H new ATOM 0 HB3 MET A 57 -10.749 2.493 -7.014 1.00 0.58 H new ATOM 0 HG2 MET A 57 -8.539 1.431 -5.191 1.00 0.55 H new ATOM 0 HG3 MET A 57 -9.734 0.378 -5.920 1.00 0.55 H new ATOM 0 HE1 MET A 57 -6.242 0.046 -7.849 1.00 0.57 H new ATOM 0 HE2 MET A 57 -6.440 0.627 -6.179 1.00 0.57 H new ATOM 0 HE3 MET A 57 -7.390 -0.762 -6.756 1.00 0.57 H new ATOM 949 N GLY A 58 -11.253 5.255 -5.040 1.00 0.67 N ATOM 950 CA GLY A 58 -12.260 6.357 -5.181 1.00 0.73 C ATOM 951 C GLY A 58 -11.657 7.759 -5.029 1.00 0.79 C ATOM 952 O GLY A 58 -11.775 8.590 -5.908 1.00 0.84 O ATOM 0 H GLY A 58 -11.251 4.779 -4.138 1.00 0.67 H new ATOM 0 HA2 GLY A 58 -12.738 6.279 -6.158 1.00 0.73 H new ATOM 0 HA3 GLY A 58 -13.041 6.223 -4.433 1.00 0.73 H new ATOM 956 N LEU A 59 -11.047 8.042 -3.923 1.00 0.79 N ATOM 957 CA LEU A 59 -10.478 9.399 -3.707 1.00 0.86 C ATOM 958 C LEU A 59 -9.507 9.715 -4.831 1.00 0.88 C ATOM 959 O LEU A 59 -9.156 10.854 -5.069 1.00 0.94 O ATOM 960 CB LEU A 59 -9.805 9.480 -2.321 1.00 0.86 C ATOM 961 CG LEU A 59 -10.783 8.978 -1.207 1.00 0.82 C ATOM 962 CD1 LEU A 59 -10.396 9.567 0.163 1.00 0.82 C ATOM 963 CD2 LEU A 59 -12.239 9.398 -1.501 1.00 0.87 C ATOM 0 H LEU A 59 -10.915 7.390 -3.150 1.00 0.79 H new ATOM 0 HA LEU A 59 -11.272 10.146 -3.722 1.00 0.86 H new ATOM 0 HB2 LEU A 59 -8.897 8.877 -2.315 1.00 0.86 H new ATOM 0 HB3 LEU A 59 -9.506 10.508 -2.115 1.00 0.86 H new ATOM 0 HG LEU A 59 -10.708 7.891 -1.192 1.00 0.82 H new ATOM 0 HD11 LEU A 59 -11.088 9.205 0.923 1.00 0.82 H new ATOM 0 HD12 LEU A 59 -9.383 9.258 0.419 1.00 0.82 H new ATOM 0 HD13 LEU A 59 -10.443 10.655 0.118 1.00 0.82 H new ATOM 0 HD21 LEU A 59 -12.890 9.033 -0.707 1.00 0.87 H new ATOM 0 HD22 LEU A 59 -12.301 10.485 -1.550 1.00 0.87 H new ATOM 0 HD23 LEU A 59 -12.555 8.973 -2.454 1.00 0.87 H new ATOM 975 N LEU A 60 -9.105 8.717 -5.549 1.00 0.84 N ATOM 976 CA LEU A 60 -8.191 8.947 -6.699 1.00 0.87 C ATOM 977 C LEU A 60 -9.057 9.411 -7.870 1.00 0.91 C ATOM 978 O LEU A 60 -8.826 10.447 -8.463 1.00 0.96 O ATOM 979 CB LEU A 60 -7.467 7.637 -7.054 1.00 0.82 C ATOM 980 CG LEU A 60 -6.162 7.922 -7.820 1.00 0.87 C ATOM 981 CD1 LEU A 60 -6.456 8.781 -9.054 1.00 0.83 C ATOM 982 CD2 LEU A 60 -5.139 8.640 -6.911 1.00 0.91 C ATOM 0 H LEU A 60 -9.369 7.744 -5.392 1.00 0.84 H new ATOM 0 HA LEU A 60 -7.435 9.695 -6.461 1.00 0.87 H new ATOM 0 HB2 LEU A 60 -7.245 7.081 -6.143 1.00 0.82 H new ATOM 0 HB3 LEU A 60 -8.120 7.009 -7.660 1.00 0.82 H new ATOM 0 HG LEU A 60 -5.735 6.971 -8.137 1.00 0.87 H new ATOM 0 HD11 LEU A 60 -5.527 8.978 -9.590 1.00 0.83 H new ATOM 0 HD12 LEU A 60 -7.148 8.252 -9.709 1.00 0.83 H new ATOM 0 HD13 LEU A 60 -6.902 9.725 -8.742 1.00 0.83 H new ATOM 0 HD21 LEU A 60 -4.225 8.831 -7.473 1.00 0.91 H new ATOM 0 HD22 LEU A 60 -5.558 9.586 -6.567 1.00 0.91 H new ATOM 0 HD23 LEU A 60 -4.911 8.010 -6.051 1.00 0.91 H new ATOM 994 N GLU A 61 -10.075 8.656 -8.189 1.00 0.87 N ATOM 995 CA GLU A 61 -10.977 9.056 -9.302 1.00 0.91 C ATOM 996 C GLU A 61 -11.659 10.379 -8.941 1.00 0.96 C ATOM 997 O GLU A 61 -12.113 11.108 -9.801 1.00 1.00 O ATOM 998 CB GLU A 61 -12.038 7.974 -9.514 1.00 0.86 C ATOM 999 CG GLU A 61 -11.376 6.706 -10.055 1.00 0.82 C ATOM 1000 CD GLU A 61 -12.449 5.658 -10.357 1.00 0.77 C ATOM 1001 OE1 GLU A 61 -13.596 6.043 -10.518 1.00 0.77 O ATOM 1002 OE2 GLU A 61 -12.106 4.489 -10.421 1.00 0.74 O ATOM 0 H GLU A 61 -10.319 7.781 -7.726 1.00 0.87 H new ATOM 0 HA GLU A 61 -10.400 9.178 -10.219 1.00 0.91 H new ATOM 0 HB2 GLU A 61 -12.545 7.759 -8.574 1.00 0.86 H new ATOM 0 HB3 GLU A 61 -12.797 8.327 -10.212 1.00 0.86 H new ATOM 0 HG2 GLU A 61 -10.812 6.935 -10.959 1.00 0.82 H new ATOM 0 HG3 GLU A 61 -10.666 6.315 -9.327 1.00 0.82 H new ATOM 1009 N GLY A 62 -11.733 10.696 -7.671 1.00 0.95 N ATOM 1010 CA GLY A 62 -12.383 11.975 -7.251 1.00 1.01 C ATOM 1011 C GLY A 62 -13.874 11.743 -7.014 1.00 1.00 C ATOM 1012 O GLY A 62 -14.716 12.437 -7.548 1.00 1.03 O ATOM 0 H GLY A 62 -11.371 10.124 -6.908 1.00 0.95 H new ATOM 0 HA2 GLY A 62 -11.915 12.350 -6.341 1.00 1.01 H new ATOM 0 HA3 GLY A 62 -12.241 12.735 -8.019 1.00 1.01 H new ATOM 1016 N TYR A 63 -14.203 10.774 -6.213 1.00 0.96 N ATOM 1017 CA TYR A 63 -15.638 10.488 -5.928 1.00 0.95 C ATOM 1018 C TYR A 63 -15.743 9.609 -4.679 1.00 0.93 C ATOM 1019 O TYR A 63 -15.009 8.655 -4.514 1.00 0.89 O ATOM 1020 CB TYR A 63 -16.265 9.757 -7.125 1.00 0.91 C ATOM 1021 CG TYR A 63 -16.611 10.755 -8.210 1.00 0.95 C ATOM 1022 CD1 TYR A 63 -17.648 11.673 -8.007 1.00 0.99 C ATOM 1023 CD2 TYR A 63 -15.896 10.762 -9.415 1.00 0.94 C ATOM 1024 CE1 TYR A 63 -17.971 12.597 -9.007 1.00 1.03 C ATOM 1025 CE2 TYR A 63 -16.220 11.686 -10.415 1.00 0.98 C ATOM 1026 CZ TYR A 63 -17.257 12.604 -10.211 1.00 1.02 C ATOM 1027 OH TYR A 63 -17.576 13.515 -11.197 1.00 1.06 O ATOM 0 H TYR A 63 -13.538 10.162 -5.739 1.00 0.96 H new ATOM 0 HA TYR A 63 -16.169 11.425 -5.759 1.00 0.95 H new ATOM 0 HB2 TYR A 63 -15.571 9.011 -7.512 1.00 0.91 H new ATOM 0 HB3 TYR A 63 -17.162 9.224 -6.809 1.00 0.91 H new ATOM 0 HD1 TYR A 63 -18.199 11.668 -7.078 1.00 0.99 H new ATOM 0 HD2 TYR A 63 -15.095 10.055 -9.572 1.00 0.94 H new ATOM 0 HE1 TYR A 63 -18.771 13.305 -8.850 1.00 1.03 H new ATOM 0 HE2 TYR A 63 -15.670 11.691 -11.344 1.00 0.98 H new ATOM 0 HH TYR A 63 -16.984 13.385 -11.967 1.00 1.06 H new ATOM 1037 N PHE A 64 -16.656 9.923 -3.800 1.00 0.95 N ATOM 1038 CA PHE A 64 -16.815 9.107 -2.563 1.00 0.93 C ATOM 1039 C PHE A 64 -17.345 7.722 -2.936 1.00 0.86 C ATOM 1040 O PHE A 64 -18.500 7.559 -3.275 1.00 0.83 O ATOM 1041 CB PHE A 64 -17.806 9.797 -1.623 1.00 0.98 C ATOM 1042 CG PHE A 64 -17.980 8.964 -0.377 1.00 1.01 C ATOM 1043 CD1 PHE A 64 -17.134 9.162 0.720 1.00 1.07 C ATOM 1044 CD2 PHE A 64 -18.986 7.992 -0.318 1.00 0.98 C ATOM 1045 CE1 PHE A 64 -17.293 8.389 1.876 1.00 1.10 C ATOM 1046 CE2 PHE A 64 -19.146 7.219 0.838 1.00 1.01 C ATOM 1047 CZ PHE A 64 -18.300 7.418 1.935 1.00 1.07 C ATOM 0 H PHE A 64 -17.299 10.710 -3.886 1.00 0.95 H new ATOM 0 HA PHE A 64 -15.851 9.006 -2.064 1.00 0.93 H new ATOM 0 HB2 PHE A 64 -17.444 10.791 -1.361 1.00 0.98 H new ATOM 0 HB3 PHE A 64 -18.766 9.929 -2.122 1.00 0.98 H new ATOM 0 HD1 PHE A 64 -16.358 9.912 0.675 1.00 1.07 H new ATOM 0 HD2 PHE A 64 -19.639 7.839 -1.165 1.00 0.98 H new ATOM 0 HE1 PHE A 64 -16.639 8.541 2.722 1.00 1.10 H new ATOM 0 HE2 PHE A 64 -19.922 6.469 0.883 1.00 1.01 H new ATOM 0 HZ PHE A 64 -18.424 6.822 2.827 1.00 1.07 H new ATOM 1057 N VAL A 65 -16.509 6.722 -2.880 1.00 0.83 N ATOM 1058 CA VAL A 65 -16.965 5.350 -3.236 1.00 0.76 C ATOM 1059 C VAL A 65 -18.088 4.925 -2.247 1.00 0.76 C ATOM 1060 O VAL A 65 -17.905 5.063 -1.053 1.00 0.75 O ATOM 1061 CB VAL A 65 -15.744 4.390 -3.142 1.00 0.71 C ATOM 1062 CG1 VAL A 65 -16.189 2.970 -2.749 1.00 0.67 C ATOM 1063 CG2 VAL A 65 -15.018 4.341 -4.505 1.00 0.76 C ATOM 0 H VAL A 65 -15.530 6.796 -2.603 1.00 0.83 H new ATOM 0 HA VAL A 65 -17.365 5.316 -4.249 1.00 0.76 H new ATOM 0 HB VAL A 65 -15.069 4.767 -2.374 1.00 0.71 H new ATOM 0 HG11 VAL A 65 -15.317 2.319 -2.690 1.00 0.67 H new ATOM 0 HG12 VAL A 65 -16.686 3.000 -1.779 1.00 0.67 H new ATOM 0 HG13 VAL A 65 -16.880 2.585 -3.499 1.00 0.67 H new ATOM 0 HG21 VAL A 65 -14.163 3.668 -4.438 1.00 0.76 H new ATOM 0 HG22 VAL A 65 -15.705 3.980 -5.270 1.00 0.76 H new ATOM 0 HG23 VAL A 65 -14.673 5.341 -4.770 1.00 0.76 H new ATOM 1073 N PRO A 66 -19.217 4.416 -2.740 1.00 0.78 N ATOM 1074 CA PRO A 66 -20.311 3.991 -1.840 1.00 0.79 C ATOM 1075 C PRO A 66 -19.799 2.930 -0.853 1.00 0.72 C ATOM 1076 O PRO A 66 -18.651 2.537 -0.892 1.00 0.67 O ATOM 1077 CB PRO A 66 -21.405 3.414 -2.771 1.00 0.81 C ATOM 1078 CG PRO A 66 -20.882 3.527 -4.232 1.00 0.82 C ATOM 1079 CD PRO A 66 -19.504 4.225 -4.184 1.00 0.79 C ATOM 0 HA PRO A 66 -20.699 4.813 -1.238 1.00 0.79 H new ATOM 0 HB2 PRO A 66 -21.615 2.375 -2.518 1.00 0.81 H new ATOM 0 HB3 PRO A 66 -22.338 3.965 -2.654 1.00 0.81 H new ATOM 0 HG2 PRO A 66 -20.795 2.539 -4.685 1.00 0.82 H new ATOM 0 HG3 PRO A 66 -21.579 4.098 -4.845 1.00 0.82 H new ATOM 0 HD2 PRO A 66 -18.737 3.615 -4.661 1.00 0.79 H new ATOM 0 HD3 PRO A 66 -19.527 5.179 -4.711 1.00 0.79 H new ATOM 1087 N LEU A 67 -20.647 2.473 0.032 1.00 0.73 N ATOM 1088 CA LEU A 67 -20.225 1.450 1.028 1.00 0.68 C ATOM 1089 C LEU A 67 -20.412 0.041 0.450 1.00 0.65 C ATOM 1090 O LEU A 67 -19.935 -0.930 1.005 1.00 0.60 O ATOM 1091 CB LEU A 67 -21.091 1.606 2.283 1.00 0.72 C ATOM 1092 CG LEU A 67 -20.588 2.785 3.121 1.00 0.74 C ATOM 1093 CD1 LEU A 67 -20.546 4.049 2.257 1.00 0.85 C ATOM 1094 CD2 LEU A 67 -21.534 3.006 4.305 1.00 0.77 C ATOM 0 H LEU A 67 -21.620 2.769 0.106 1.00 0.73 H new ATOM 0 HA LEU A 67 -19.172 1.590 1.274 1.00 0.68 H new ATOM 0 HB2 LEU A 67 -22.131 1.768 2.000 1.00 0.72 H new ATOM 0 HB3 LEU A 67 -21.060 0.690 2.873 1.00 0.72 H new ATOM 0 HG LEU A 67 -19.586 2.567 3.490 1.00 0.74 H new ATOM 0 HD11 LEU A 67 -20.188 4.887 2.855 1.00 0.85 H new ATOM 0 HD12 LEU A 67 -19.873 3.891 1.414 1.00 0.85 H new ATOM 0 HD13 LEU A 67 -21.547 4.270 1.886 1.00 0.85 H new ATOM 0 HD21 LEU A 67 -21.178 3.845 4.903 1.00 0.77 H new ATOM 0 HD22 LEU A 67 -22.536 3.224 3.935 1.00 0.77 H new ATOM 0 HD23 LEU A 67 -21.562 2.107 4.921 1.00 0.77 H new ATOM 1106 N HIS A 68 -21.109 -0.087 -0.649 1.00 0.69 N ATOM 1107 CA HIS A 68 -21.333 -1.436 -1.244 1.00 0.68 C ATOM 1108 C HIS A 68 -20.220 -1.762 -2.247 1.00 0.68 C ATOM 1109 O HIS A 68 -19.920 -2.912 -2.499 1.00 0.72 O ATOM 1110 CB HIS A 68 -22.683 -1.433 -1.967 1.00 0.75 C ATOM 1111 CG HIS A 68 -23.804 -1.569 -0.971 1.00 0.81 C ATOM 1112 ND1 HIS A 68 -24.598 -0.495 -0.601 1.00 0.87 N ATOM 1113 CD2 HIS A 68 -24.280 -2.647 -0.267 1.00 0.84 C ATOM 1114 CE1 HIS A 68 -25.503 -0.946 0.286 1.00 0.91 C ATOM 1115 NE2 HIS A 68 -25.353 -2.251 0.526 1.00 0.90 N ATOM 0 H HIS A 68 -21.533 0.687 -1.160 1.00 0.69 H new ATOM 0 HA HIS A 68 -21.327 -2.188 -0.455 1.00 0.68 H new ATOM 0 HB2 HIS A 68 -22.799 -0.509 -2.533 1.00 0.75 H new ATOM 0 HB3 HIS A 68 -22.722 -2.253 -2.684 1.00 0.75 H new ATOM 0 HD2 HIS A 68 -23.882 -3.650 -0.320 1.00 0.84 H new ATOM 0 HE1 HIS A 68 -26.259 -0.328 0.748 1.00 0.91 H new ATOM 0 HE2 HIS A 68 -25.906 -2.833 1.155 1.00 0.90 H new ATOM 1123 N SER A 69 -19.614 -0.766 -2.827 1.00 0.66 N ATOM 1124 CA SER A 69 -18.533 -1.031 -3.817 1.00 0.67 C ATOM 1125 C SER A 69 -17.483 -1.941 -3.193 1.00 0.61 C ATOM 1126 O SER A 69 -16.828 -2.719 -3.857 1.00 0.63 O ATOM 1127 CB SER A 69 -17.900 0.299 -4.235 1.00 0.69 C ATOM 1128 OG SER A 69 -17.627 0.272 -5.630 1.00 0.69 O ATOM 0 H SER A 69 -19.819 0.219 -2.660 1.00 0.66 H new ATOM 0 HA SER A 69 -18.947 -1.524 -4.697 1.00 0.67 H new ATOM 0 HB2 SER A 69 -18.572 1.124 -4.000 1.00 0.69 H new ATOM 0 HB3 SER A 69 -16.980 0.468 -3.676 1.00 0.69 H new ATOM 0 HG SER A 69 -17.223 1.123 -5.901 1.00 0.69 H new ATOM 1134 N PHE A 70 -17.331 -1.835 -1.918 1.00 0.56 N ATOM 1135 CA PHE A 70 -16.341 -2.667 -1.203 1.00 0.51 C ATOM 1136 C PHE A 70 -16.680 -4.137 -1.425 1.00 0.50 C ATOM 1137 O PHE A 70 -17.313 -4.510 -2.392 1.00 0.56 O ATOM 1138 CB PHE A 70 -16.420 -2.360 0.298 1.00 0.48 C ATOM 1139 CG PHE A 70 -15.920 -0.969 0.578 1.00 0.49 C ATOM 1140 CD1 PHE A 70 -16.796 0.118 0.509 1.00 0.52 C ATOM 1141 CD2 PHE A 70 -14.583 -0.772 0.939 1.00 0.49 C ATOM 1142 CE1 PHE A 70 -16.335 1.406 0.797 1.00 0.55 C ATOM 1143 CE2 PHE A 70 -14.125 0.517 1.234 1.00 0.51 C ATOM 1144 CZ PHE A 70 -15.002 1.605 1.161 1.00 0.54 C ATOM 0 H PHE A 70 -17.860 -1.195 -1.326 1.00 0.56 H new ATOM 0 HA PHE A 70 -15.338 -2.454 -1.574 1.00 0.51 H new ATOM 0 HB2 PHE A 70 -17.450 -2.459 0.642 1.00 0.48 H new ATOM 0 HB3 PHE A 70 -15.827 -3.085 0.855 1.00 0.48 H new ATOM 0 HD1 PHE A 70 -17.829 -0.037 0.233 1.00 0.52 H new ATOM 0 HD2 PHE A 70 -13.906 -1.612 0.990 1.00 0.49 H new ATOM 0 HE1 PHE A 70 -17.010 2.247 0.738 1.00 0.55 H new ATOM 0 HE2 PHE A 70 -13.095 0.672 1.518 1.00 0.51 H new ATOM 0 HZ PHE A 70 -14.647 2.600 1.387 1.00 0.54 H new ATOM 1154 N PHE A 71 -16.270 -4.962 -0.511 1.00 0.45 N ATOM 1155 CA PHE A 71 -16.554 -6.431 -0.595 1.00 0.45 C ATOM 1156 C PHE A 71 -17.322 -6.830 0.675 1.00 0.50 C ATOM 1157 O PHE A 71 -18.521 -7.024 0.651 1.00 0.51 O ATOM 1158 CB PHE A 71 -15.212 -7.198 -0.695 1.00 0.41 C ATOM 1159 CG PHE A 71 -14.950 -7.612 -2.133 1.00 0.40 C ATOM 1160 CD1 PHE A 71 -14.911 -6.643 -3.141 1.00 0.43 C ATOM 1161 CD2 PHE A 71 -14.752 -8.963 -2.454 1.00 0.41 C ATOM 1162 CE1 PHE A 71 -14.673 -7.021 -4.468 1.00 0.46 C ATOM 1163 CE2 PHE A 71 -14.513 -9.340 -3.781 1.00 0.44 C ATOM 1164 CZ PHE A 71 -14.474 -8.369 -4.788 1.00 0.46 C ATOM 0 H PHE A 71 -15.737 -4.682 0.312 1.00 0.45 H new ATOM 0 HA PHE A 71 -17.152 -6.673 -1.474 1.00 0.45 H new ATOM 0 HB2 PHE A 71 -14.398 -6.569 -0.336 1.00 0.41 H new ATOM 0 HB3 PHE A 71 -15.240 -8.080 -0.054 1.00 0.41 H new ATOM 0 HD1 PHE A 71 -15.065 -5.603 -2.896 1.00 0.43 H new ATOM 0 HD2 PHE A 71 -14.784 -9.713 -1.677 1.00 0.41 H new ATOM 0 HE1 PHE A 71 -14.643 -6.272 -5.245 1.00 0.46 H new ATOM 0 HE2 PHE A 71 -14.359 -10.380 -4.027 1.00 0.44 H new ATOM 0 HZ PHE A 71 -14.290 -8.660 -5.812 1.00 0.46 H new ATOM 1174 N LEU A 72 -16.645 -6.923 1.786 1.00 0.54 N ATOM 1175 CA LEU A 72 -17.336 -7.271 3.063 1.00 0.59 C ATOM 1176 C LEU A 72 -16.475 -6.795 4.234 1.00 0.57 C ATOM 1177 O LEU A 72 -15.293 -6.558 4.093 1.00 0.59 O ATOM 1178 CB LEU A 72 -17.580 -8.789 3.163 1.00 0.64 C ATOM 1179 CG LEU A 72 -16.522 -9.556 2.375 1.00 0.66 C ATOM 1180 CD1 LEU A 72 -15.124 -9.233 2.916 1.00 0.72 C ATOM 1181 CD2 LEU A 72 -16.795 -11.050 2.525 1.00 0.71 C ATOM 0 H LEU A 72 -15.639 -6.773 1.866 1.00 0.54 H new ATOM 0 HA LEU A 72 -18.307 -6.777 3.091 1.00 0.59 H new ATOM 0 HB2 LEU A 72 -17.558 -9.098 4.208 1.00 0.64 H new ATOM 0 HB3 LEU A 72 -18.572 -9.029 2.780 1.00 0.64 H new ATOM 0 HG LEU A 72 -16.565 -9.268 1.325 1.00 0.66 H new ATOM 0 HD11 LEU A 72 -14.377 -9.786 2.346 1.00 0.72 H new ATOM 0 HD12 LEU A 72 -14.935 -8.164 2.821 1.00 0.72 H new ATOM 0 HD13 LEU A 72 -15.065 -9.520 3.966 1.00 0.72 H new ATOM 0 HD21 LEU A 72 -16.047 -11.614 1.967 1.00 0.71 H new ATOM 0 HD22 LEU A 72 -16.746 -11.325 3.579 1.00 0.71 H new ATOM 0 HD23 LEU A 72 -17.787 -11.279 2.136 1.00 0.71 H new ATOM 1193 N THR A 73 -17.062 -6.651 5.388 1.00 0.53 N ATOM 1194 CA THR A 73 -16.288 -6.188 6.567 1.00 0.52 C ATOM 1195 C THR A 73 -15.268 -7.281 6.965 1.00 0.44 C ATOM 1196 O THR A 73 -15.682 -8.360 7.339 1.00 0.43 O ATOM 1197 CB THR A 73 -17.262 -5.967 7.726 1.00 0.59 C ATOM 1198 OG1 THR A 73 -18.177 -7.053 7.784 1.00 0.59 O ATOM 1199 CG2 THR A 73 -18.032 -4.661 7.516 1.00 0.61 C ATOM 0 H THR A 73 -18.050 -6.836 5.564 1.00 0.53 H new ATOM 0 HA THR A 73 -15.760 -5.263 6.334 1.00 0.52 H new ATOM 0 HB THR A 73 -16.704 -5.907 8.660 1.00 0.59 H new ATOM 0 HG1 THR A 73 -17.689 -7.897 7.688 1.00 0.59 H new ATOM 0 HG21 THR A 73 -18.724 -4.509 8.344 1.00 0.61 H new ATOM 0 HG22 THR A 73 -17.330 -3.828 7.472 1.00 0.61 H new ATOM 0 HG23 THR A 73 -18.591 -4.714 6.582 1.00 0.61 H new ATOM 1207 N PRO A 74 -13.968 -7.012 6.887 1.00 0.42 N ATOM 1208 CA PRO A 74 -12.973 -8.035 7.259 1.00 0.35 C ATOM 1209 C PRO A 74 -13.194 -8.451 8.718 1.00 0.35 C ATOM 1210 O PRO A 74 -13.062 -7.653 9.625 1.00 0.40 O ATOM 1211 CB PRO A 74 -11.596 -7.358 7.057 1.00 0.37 C ATOM 1212 CG PRO A 74 -11.857 -5.927 6.503 1.00 0.45 C ATOM 1213 CD PRO A 74 -13.388 -5.721 6.443 1.00 0.47 C ATOM 0 HA PRO A 74 -13.048 -8.942 6.659 1.00 0.35 H new ATOM 0 HB2 PRO A 74 -11.050 -7.311 7.999 1.00 0.37 H new ATOM 0 HB3 PRO A 74 -10.984 -7.933 6.362 1.00 0.37 H new ATOM 0 HG2 PRO A 74 -11.395 -5.178 7.145 1.00 0.45 H new ATOM 0 HG3 PRO A 74 -11.416 -5.814 5.513 1.00 0.45 H new ATOM 0 HD2 PRO A 74 -13.702 -4.904 7.092 1.00 0.47 H new ATOM 0 HD3 PRO A 74 -13.713 -5.469 5.434 1.00 0.47 H new ATOM 1221 N ASP A 75 -13.534 -9.697 8.945 1.00 0.34 N ATOM 1222 CA ASP A 75 -13.774 -10.184 10.341 1.00 0.38 C ATOM 1223 C ASP A 75 -12.633 -11.112 10.742 1.00 0.36 C ATOM 1224 O ASP A 75 -12.068 -10.998 11.812 1.00 0.36 O ATOM 1225 CB ASP A 75 -15.114 -10.948 10.381 1.00 0.46 C ATOM 1226 CG ASP A 75 -15.830 -10.705 11.717 1.00 0.82 C ATOM 1227 OD1 ASP A 75 -15.555 -11.435 12.655 1.00 0.82 O ATOM 1228 OD2 ASP A 75 -16.640 -9.794 11.776 1.00 1.34 O ATOM 0 H ASP A 75 -13.656 -10.402 8.218 1.00 0.34 H new ATOM 0 HA ASP A 75 -13.817 -9.344 11.034 1.00 0.38 H new ATOM 0 HB2 ASP A 75 -15.749 -10.624 9.557 1.00 0.46 H new ATOM 0 HB3 ASP A 75 -14.936 -12.015 10.246 1.00 0.46 H new ATOM 1233 N SER A 76 -12.297 -12.032 9.878 1.00 0.38 N ATOM 1234 CA SER A 76 -11.194 -12.994 10.169 1.00 0.41 C ATOM 1235 C SER A 76 -10.076 -12.802 9.145 1.00 0.39 C ATOM 1236 O SER A 76 -10.070 -11.862 8.376 1.00 0.37 O ATOM 1237 CB SER A 76 -11.736 -14.425 10.097 1.00 0.51 C ATOM 1238 OG SER A 76 -12.691 -14.517 9.053 1.00 0.54 O ATOM 0 H SER A 76 -12.746 -12.160 8.971 1.00 0.38 H new ATOM 0 HA SER A 76 -10.798 -12.814 11.169 1.00 0.41 H new ATOM 0 HB2 SER A 76 -10.920 -15.126 9.921 1.00 0.51 H new ATOM 0 HB3 SER A 76 -12.193 -14.700 11.048 1.00 0.51 H new ATOM 0 HG SER A 76 -13.559 -14.195 9.375 1.00 0.54 H new ATOM 1244 N PHE A 77 -9.120 -13.679 9.156 1.00 0.42 N ATOM 1245 CA PHE A 77 -7.973 -13.564 8.220 1.00 0.44 C ATOM 1246 C PHE A 77 -8.421 -13.739 6.795 1.00 0.48 C ATOM 1247 O PHE A 77 -8.239 -12.883 5.979 1.00 0.49 O ATOM 1248 CB PHE A 77 -6.966 -14.662 8.563 1.00 0.50 C ATOM 1249 CG PHE A 77 -5.819 -14.697 7.566 1.00 0.59 C ATOM 1250 CD1 PHE A 77 -5.088 -13.534 7.277 1.00 0.63 C ATOM 1251 CD2 PHE A 77 -5.472 -15.908 6.946 1.00 0.74 C ATOM 1252 CE1 PHE A 77 -4.014 -13.586 6.371 1.00 0.80 C ATOM 1253 CE2 PHE A 77 -4.406 -15.955 6.043 1.00 0.87 C ATOM 1254 CZ PHE A 77 -3.677 -14.797 5.756 1.00 0.90 C ATOM 0 H PHE A 77 -9.083 -14.483 9.782 1.00 0.42 H new ATOM 0 HA PHE A 77 -7.526 -12.575 8.321 1.00 0.44 H new ATOM 0 HB2 PHE A 77 -6.573 -14.496 9.566 1.00 0.50 H new ATOM 0 HB3 PHE A 77 -7.470 -15.629 8.574 1.00 0.50 H new ATOM 0 HD1 PHE A 77 -5.350 -12.599 7.750 1.00 0.63 H new ATOM 0 HD2 PHE A 77 -6.030 -16.806 7.167 1.00 0.74 H new ATOM 0 HE1 PHE A 77 -3.450 -12.692 6.150 1.00 0.80 H new ATOM 0 HE2 PHE A 77 -4.145 -16.888 5.566 1.00 0.87 H new ATOM 0 HZ PHE A 77 -2.853 -14.837 5.059 1.00 0.90 H new ATOM 1264 N GLU A 78 -8.992 -14.840 6.493 1.00 0.51 N ATOM 1265 CA GLU A 78 -9.442 -15.084 5.095 1.00 0.56 C ATOM 1266 C GLU A 78 -10.225 -13.873 4.581 1.00 0.53 C ATOM 1267 O GLU A 78 -10.084 -13.474 3.446 1.00 0.59 O ATOM 1268 CB GLU A 78 -10.324 -16.356 5.075 1.00 0.63 C ATOM 1269 CG GLU A 78 -9.759 -17.388 4.093 1.00 1.05 C ATOM 1270 CD GLU A 78 -10.732 -18.561 3.970 1.00 1.14 C ATOM 1271 OE1 GLU A 78 -11.701 -18.581 4.712 1.00 1.45 O ATOM 1272 OE2 GLU A 78 -10.492 -19.419 3.138 1.00 1.04 O ATOM 0 H GLU A 78 -9.176 -15.600 7.148 1.00 0.51 H new ATOM 0 HA GLU A 78 -8.581 -15.231 4.443 1.00 0.56 H new ATOM 0 HB2 GLU A 78 -10.374 -16.787 6.075 1.00 0.63 H new ATOM 0 HB3 GLU A 78 -11.343 -16.094 4.790 1.00 0.63 H new ATOM 0 HG2 GLU A 78 -9.601 -16.929 3.117 1.00 1.05 H new ATOM 0 HG3 GLU A 78 -8.788 -17.742 4.440 1.00 1.05 H new ATOM 1279 N GLN A 79 -11.044 -13.293 5.399 1.00 0.46 N ATOM 1280 CA GLN A 79 -11.832 -12.135 4.960 1.00 0.45 C ATOM 1281 C GLN A 79 -10.906 -10.969 4.630 1.00 0.40 C ATOM 1282 O GLN A 79 -11.152 -10.208 3.714 1.00 0.41 O ATOM 1283 CB GLN A 79 -12.772 -11.801 6.102 1.00 0.49 C ATOM 1284 CG GLN A 79 -13.553 -13.065 6.461 1.00 0.49 C ATOM 1285 CD GLN A 79 -14.624 -12.737 7.499 1.00 0.46 C ATOM 1286 OE1 GLN A 79 -14.826 -13.483 8.437 1.00 0.47 O ATOM 1287 NE2 GLN A 79 -15.327 -11.646 7.369 1.00 0.45 N ATOM 0 H GLN A 79 -11.199 -13.580 6.365 1.00 0.46 H new ATOM 0 HA GLN A 79 -12.400 -12.347 4.054 1.00 0.45 H new ATOM 0 HB2 GLN A 79 -12.210 -11.443 6.965 1.00 0.49 H new ATOM 0 HB3 GLN A 79 -13.454 -11.002 5.812 1.00 0.49 H new ATOM 0 HG2 GLN A 79 -14.016 -13.483 5.567 1.00 0.49 H new ATOM 0 HG3 GLN A 79 -12.875 -13.823 6.853 1.00 0.49 H new ATOM 0 HE21 GLN A 79 -15.157 -11.020 6.582 1.00 0.45 H new ATOM 0 HE22 GLN A 79 -16.047 -11.418 8.055 1.00 0.45 H new ATOM 1296 N LYS A 80 -9.828 -10.836 5.341 1.00 0.39 N ATOM 1297 CA LYS A 80 -8.881 -9.737 5.033 1.00 0.38 C ATOM 1298 C LYS A 80 -8.115 -10.121 3.767 1.00 0.39 C ATOM 1299 O LYS A 80 -8.015 -9.359 2.825 1.00 0.40 O ATOM 1300 CB LYS A 80 -7.906 -9.565 6.199 1.00 0.41 C ATOM 1301 CG LYS A 80 -8.605 -8.833 7.346 1.00 0.50 C ATOM 1302 CD LYS A 80 -7.732 -8.897 8.600 1.00 0.51 C ATOM 1303 CE LYS A 80 -8.453 -8.206 9.758 1.00 0.51 C ATOM 1304 NZ LYS A 80 -7.589 -8.236 10.971 1.00 1.03 N ATOM 0 H LYS A 80 -9.562 -11.438 6.120 1.00 0.39 H new ATOM 0 HA LYS A 80 -9.414 -8.798 4.882 1.00 0.38 H new ATOM 0 HB2 LYS A 80 -7.552 -10.539 6.537 1.00 0.41 H new ATOM 0 HB3 LYS A 80 -7.030 -9.003 5.875 1.00 0.41 H new ATOM 0 HG2 LYS A 80 -8.788 -7.794 7.070 1.00 0.50 H new ATOM 0 HG3 LYS A 80 -9.576 -9.287 7.543 1.00 0.50 H new ATOM 0 HD2 LYS A 80 -7.521 -9.935 8.857 1.00 0.51 H new ATOM 0 HD3 LYS A 80 -6.773 -8.413 8.414 1.00 0.51 H new ATOM 0 HE2 LYS A 80 -8.687 -7.176 9.491 1.00 0.51 H new ATOM 0 HE3 LYS A 80 -9.400 -8.706 9.961 1.00 0.51 H new ATOM 0 HZ1 LYS A 80 -8.080 -7.766 11.758 1.00 1.03 H new ATOM 0 HZ2 LYS A 80 -7.387 -9.223 11.229 1.00 1.03 H new ATOM 0 HZ3 LYS A 80 -6.696 -7.740 10.774 1.00 1.03 H new ATOM 1318 N VAL A 81 -7.580 -11.313 3.743 1.00 0.44 N ATOM 1319 CA VAL A 81 -6.822 -11.788 2.555 1.00 0.47 C ATOM 1320 C VAL A 81 -7.675 -11.591 1.312 1.00 0.45 C ATOM 1321 O VAL A 81 -7.170 -11.485 0.218 1.00 0.46 O ATOM 1322 CB VAL A 81 -6.513 -13.278 2.709 1.00 0.54 C ATOM 1323 CG1 VAL A 81 -5.664 -13.750 1.525 1.00 0.60 C ATOM 1324 CG2 VAL A 81 -5.747 -13.520 4.012 1.00 0.56 C ATOM 0 H VAL A 81 -7.639 -11.985 4.508 1.00 0.44 H new ATOM 0 HA VAL A 81 -5.892 -11.226 2.467 1.00 0.47 H new ATOM 0 HB VAL A 81 -7.449 -13.836 2.734 1.00 0.54 H new ATOM 0 HG11 VAL A 81 -5.444 -14.812 1.635 1.00 0.60 H new ATOM 0 HG12 VAL A 81 -6.212 -13.587 0.597 1.00 0.60 H new ATOM 0 HG13 VAL A 81 -4.731 -13.187 1.499 1.00 0.60 H new ATOM 0 HG21 VAL A 81 -5.531 -14.583 4.115 1.00 0.56 H new ATOM 0 HG22 VAL A 81 -4.812 -12.959 3.994 1.00 0.56 H new ATOM 0 HG23 VAL A 81 -6.352 -13.190 4.856 1.00 0.56 H new ATOM 1334 N LEU A 82 -8.969 -11.559 1.469 1.00 0.44 N ATOM 1335 CA LEU A 82 -9.858 -11.380 0.283 1.00 0.44 C ATOM 1336 C LEU A 82 -9.982 -9.904 -0.044 1.00 0.38 C ATOM 1337 O LEU A 82 -9.999 -9.519 -1.191 1.00 0.38 O ATOM 1338 CB LEU A 82 -11.244 -11.968 0.579 1.00 0.47 C ATOM 1339 CG LEU A 82 -12.040 -12.139 -0.731 1.00 0.49 C ATOM 1340 CD1 LEU A 82 -11.655 -13.453 -1.425 1.00 0.53 C ATOM 1341 CD2 LEU A 82 -13.541 -12.166 -0.419 1.00 0.54 C ATOM 0 H LEU A 82 -9.450 -11.649 2.364 1.00 0.44 H new ATOM 0 HA LEU A 82 -9.426 -11.901 -0.572 1.00 0.44 H new ATOM 0 HB2 LEU A 82 -11.139 -12.931 1.078 1.00 0.47 H new ATOM 0 HB3 LEU A 82 -11.787 -11.313 1.260 1.00 0.47 H new ATOM 0 HG LEU A 82 -11.807 -11.302 -1.390 1.00 0.49 H new ATOM 0 HD11 LEU A 82 -12.226 -13.558 -2.348 1.00 0.53 H new ATOM 0 HD12 LEU A 82 -10.590 -13.444 -1.656 1.00 0.53 H new ATOM 0 HD13 LEU A 82 -11.876 -14.292 -0.764 1.00 0.53 H new ATOM 0 HD21 LEU A 82 -14.103 -12.287 -1.345 1.00 0.54 H new ATOM 0 HD22 LEU A 82 -13.759 -12.999 0.249 1.00 0.54 H new ATOM 0 HD23 LEU A 82 -13.830 -11.231 0.061 1.00 0.54 H new ATOM 1353 N ASN A 83 -10.058 -9.069 0.937 1.00 0.35 N ATOM 1354 CA ASN A 83 -10.160 -7.624 0.641 1.00 0.32 C ATOM 1355 C ASN A 83 -8.905 -7.213 -0.143 1.00 0.31 C ATOM 1356 O ASN A 83 -8.938 -6.332 -0.988 1.00 0.30 O ATOM 1357 CB ASN A 83 -10.262 -6.846 1.973 1.00 0.31 C ATOM 1358 CG ASN A 83 -11.320 -5.744 1.863 1.00 0.33 C ATOM 1359 OD1 ASN A 83 -11.011 -4.572 1.950 1.00 0.35 O ATOM 1360 ND2 ASN A 83 -12.563 -6.083 1.671 1.00 0.36 N ATOM 0 H ASN A 83 -10.054 -9.319 1.926 1.00 0.35 H new ATOM 0 HA ASN A 83 -11.046 -7.401 0.046 1.00 0.32 H new ATOM 0 HB2 ASN A 83 -10.521 -7.529 2.782 1.00 0.31 H new ATOM 0 HB3 ASN A 83 -9.295 -6.408 2.222 1.00 0.31 H new ATOM 0 HD21 ASN A 83 -13.282 -5.363 1.593 1.00 0.36 H new ATOM 0 HD22 ASN A 83 -12.818 -7.068 1.599 1.00 0.36 H new ATOM 1367 N VAL A 84 -7.797 -7.866 0.117 1.00 0.34 N ATOM 1368 CA VAL A 84 -6.541 -7.521 -0.624 1.00 0.37 C ATOM 1369 C VAL A 84 -6.480 -8.311 -1.913 1.00 0.39 C ATOM 1370 O VAL A 84 -5.983 -7.843 -2.898 1.00 0.41 O ATOM 1371 CB VAL A 84 -5.292 -7.821 0.211 1.00 0.41 C ATOM 1372 CG1 VAL A 84 -4.053 -7.328 -0.547 1.00 0.47 C ATOM 1373 CG2 VAL A 84 -5.396 -7.092 1.556 1.00 0.40 C ATOM 0 H VAL A 84 -7.707 -8.616 0.803 1.00 0.34 H new ATOM 0 HA VAL A 84 -6.561 -6.452 -0.836 1.00 0.37 H new ATOM 0 HB VAL A 84 -5.211 -8.894 0.386 1.00 0.41 H new ATOM 0 HG11 VAL A 84 -3.159 -7.538 0.041 1.00 0.47 H new ATOM 0 HG12 VAL A 84 -3.985 -7.841 -1.506 1.00 0.47 H new ATOM 0 HG13 VAL A 84 -4.133 -6.254 -0.715 1.00 0.47 H new ATOM 0 HG21 VAL A 84 -4.509 -7.303 2.154 1.00 0.40 H new ATOM 0 HG22 VAL A 84 -5.470 -6.018 1.383 1.00 0.40 H new ATOM 0 HG23 VAL A 84 -6.283 -7.436 2.089 1.00 0.40 H new ATOM 1383 N SER A 85 -6.983 -9.504 -1.923 1.00 0.41 N ATOM 1384 CA SER A 85 -6.950 -10.292 -3.178 1.00 0.46 C ATOM 1385 C SER A 85 -7.776 -9.536 -4.207 1.00 0.42 C ATOM 1386 O SER A 85 -7.569 -9.617 -5.400 1.00 0.45 O ATOM 1387 CB SER A 85 -7.561 -11.673 -2.936 1.00 0.50 C ATOM 1388 OG SER A 85 -7.353 -12.486 -4.084 1.00 0.53 O ATOM 0 H SER A 85 -7.414 -9.968 -1.123 1.00 0.41 H new ATOM 0 HA SER A 85 -5.926 -10.425 -3.526 1.00 0.46 H new ATOM 0 HB2 SER A 85 -7.106 -12.136 -2.061 1.00 0.50 H new ATOM 0 HB3 SER A 85 -8.627 -11.581 -2.730 1.00 0.50 H new ATOM 0 HG SER A 85 -7.742 -13.373 -3.932 1.00 0.53 H new ATOM 1394 N PHE A 86 -8.717 -8.790 -3.726 1.00 0.38 N ATOM 1395 CA PHE A 86 -9.604 -8.007 -4.621 1.00 0.36 C ATOM 1396 C PHE A 86 -8.860 -6.786 -5.149 1.00 0.34 C ATOM 1397 O PHE A 86 -8.731 -6.575 -6.333 1.00 0.35 O ATOM 1398 CB PHE A 86 -10.827 -7.559 -3.817 1.00 0.35 C ATOM 1399 CG PHE A 86 -11.571 -6.435 -4.514 1.00 0.32 C ATOM 1400 CD1 PHE A 86 -11.625 -6.376 -5.913 1.00 0.31 C ATOM 1401 CD2 PHE A 86 -12.211 -5.452 -3.750 1.00 0.32 C ATOM 1402 CE1 PHE A 86 -12.317 -5.338 -6.543 1.00 0.31 C ATOM 1403 CE2 PHE A 86 -12.903 -4.412 -4.382 1.00 0.32 C ATOM 1404 CZ PHE A 86 -12.957 -4.355 -5.779 1.00 0.32 C ATOM 0 H PHE A 86 -8.915 -8.686 -2.731 1.00 0.38 H new ATOM 0 HA PHE A 86 -9.915 -8.620 -5.467 1.00 0.36 H new ATOM 0 HB2 PHE A 86 -11.498 -8.406 -3.672 1.00 0.35 H new ATOM 0 HB3 PHE A 86 -10.512 -7.229 -2.827 1.00 0.35 H new ATOM 0 HD1 PHE A 86 -11.132 -7.133 -6.505 1.00 0.31 H new ATOM 0 HD2 PHE A 86 -12.171 -5.496 -2.672 1.00 0.32 H new ATOM 0 HE1 PHE A 86 -12.358 -5.294 -7.621 1.00 0.31 H new ATOM 0 HE2 PHE A 86 -13.395 -3.654 -3.791 1.00 0.32 H new ATOM 0 HZ PHE A 86 -13.492 -3.554 -6.267 1.00 0.32 H new ATOM 1414 N ALA A 87 -8.366 -5.971 -4.280 1.00 0.32 N ATOM 1415 CA ALA A 87 -7.632 -4.775 -4.766 1.00 0.33 C ATOM 1416 C ALA A 87 -6.488 -5.269 -5.642 1.00 0.38 C ATOM 1417 O ALA A 87 -6.080 -4.631 -6.587 1.00 0.39 O ATOM 1418 CB ALA A 87 -7.080 -3.987 -3.583 1.00 0.35 C ATOM 0 H ALA A 87 -8.433 -6.072 -3.267 1.00 0.32 H new ATOM 0 HA ALA A 87 -8.294 -4.119 -5.331 1.00 0.33 H new ATOM 0 HB1 ALA A 87 -6.543 -3.111 -3.948 1.00 0.35 H new ATOM 0 HB2 ALA A 87 -7.902 -3.668 -2.943 1.00 0.35 H new ATOM 0 HB3 ALA A 87 -6.399 -4.618 -3.011 1.00 0.35 H new ATOM 1424 N PHE A 88 -6.004 -6.435 -5.337 1.00 0.41 N ATOM 1425 CA PHE A 88 -4.914 -7.046 -6.118 1.00 0.48 C ATOM 1426 C PHE A 88 -5.501 -7.503 -7.434 1.00 0.48 C ATOM 1427 O PHE A 88 -4.804 -7.710 -8.395 1.00 0.53 O ATOM 1428 CB PHE A 88 -4.377 -8.252 -5.346 1.00 0.52 C ATOM 1429 CG PHE A 88 -3.507 -9.120 -6.232 1.00 0.59 C ATOM 1430 CD1 PHE A 88 -4.100 -9.968 -7.177 1.00 0.61 C ATOM 1431 CD2 PHE A 88 -2.114 -9.087 -6.102 1.00 0.66 C ATOM 1432 CE1 PHE A 88 -3.303 -10.780 -7.989 1.00 0.69 C ATOM 1433 CE2 PHE A 88 -1.316 -9.899 -6.916 1.00 0.73 C ATOM 1434 CZ PHE A 88 -1.912 -10.746 -7.860 1.00 0.74 C ATOM 0 H PHE A 88 -6.332 -7.002 -4.555 1.00 0.41 H new ATOM 0 HA PHE A 88 -4.102 -6.339 -6.290 1.00 0.48 H new ATOM 0 HB2 PHE A 88 -3.800 -7.911 -4.486 1.00 0.52 H new ATOM 0 HB3 PHE A 88 -5.209 -8.840 -4.959 1.00 0.52 H new ATOM 0 HD1 PHE A 88 -5.175 -9.994 -7.278 1.00 0.61 H new ATOM 0 HD2 PHE A 88 -1.655 -8.435 -5.374 1.00 0.66 H new ATOM 0 HE1 PHE A 88 -3.762 -11.434 -8.716 1.00 0.69 H new ATOM 0 HE2 PHE A 88 -0.241 -9.873 -6.817 1.00 0.73 H new ATOM 0 HZ PHE A 88 -1.296 -11.373 -8.488 1.00 0.74 H new ATOM 1444 N GLU A 89 -6.785 -7.705 -7.470 1.00 0.44 N ATOM 1445 CA GLU A 89 -7.415 -8.181 -8.734 1.00 0.46 C ATOM 1446 C GLU A 89 -7.595 -6.987 -9.675 1.00 0.43 C ATOM 1447 O GLU A 89 -7.243 -7.042 -10.842 1.00 0.47 O ATOM 1448 CB GLU A 89 -8.768 -8.845 -8.403 1.00 0.46 C ATOM 1449 CG GLU A 89 -8.562 -10.341 -8.152 1.00 0.51 C ATOM 1450 CD GLU A 89 -8.444 -11.082 -9.487 1.00 0.58 C ATOM 1451 OE1 GLU A 89 -9.470 -11.471 -10.019 1.00 0.63 O ATOM 1452 OE2 GLU A 89 -7.329 -11.247 -9.953 1.00 0.60 O ATOM 0 H GLU A 89 -7.424 -7.563 -6.687 1.00 0.44 H new ATOM 0 HA GLU A 89 -6.784 -8.920 -9.228 1.00 0.46 H new ATOM 0 HB2 GLU A 89 -9.208 -8.376 -7.523 1.00 0.46 H new ATOM 0 HB3 GLU A 89 -9.467 -8.698 -9.226 1.00 0.46 H new ATOM 0 HG2 GLU A 89 -7.662 -10.498 -7.558 1.00 0.51 H new ATOM 0 HG3 GLU A 89 -9.397 -10.741 -7.577 1.00 0.51 H new ATOM 1459 N LEU A 90 -8.104 -5.895 -9.179 1.00 0.38 N ATOM 1460 CA LEU A 90 -8.267 -4.706 -10.053 1.00 0.37 C ATOM 1461 C LEU A 90 -6.880 -4.144 -10.343 1.00 0.41 C ATOM 1462 O LEU A 90 -6.688 -3.383 -11.270 1.00 0.42 O ATOM 1463 CB LEU A 90 -9.127 -3.639 -9.344 1.00 0.34 C ATOM 1464 CG LEU A 90 -10.624 -3.870 -9.624 1.00 0.33 C ATOM 1465 CD1 LEU A 90 -11.451 -3.041 -8.634 1.00 0.33 C ATOM 1466 CD2 LEU A 90 -10.982 -3.442 -11.063 1.00 0.36 C ATOM 0 H LEU A 90 -8.411 -5.776 -8.214 1.00 0.38 H new ATOM 0 HA LEU A 90 -8.767 -4.986 -10.980 1.00 0.37 H new ATOM 0 HB2 LEU A 90 -8.944 -3.672 -8.270 1.00 0.34 H new ATOM 0 HB3 LEU A 90 -8.837 -2.645 -9.686 1.00 0.34 H new ATOM 0 HG LEU A 90 -10.844 -4.931 -9.509 1.00 0.33 H new ATOM 0 HD11 LEU A 90 -12.512 -3.199 -8.825 1.00 0.33 H new ATOM 0 HD12 LEU A 90 -11.216 -3.350 -7.615 1.00 0.33 H new ATOM 0 HD13 LEU A 90 -11.213 -1.984 -8.757 1.00 0.33 H new ATOM 0 HD21 LEU A 90 -12.044 -3.613 -11.240 1.00 0.36 H new ATOM 0 HD22 LEU A 90 -10.759 -2.383 -11.194 1.00 0.36 H new ATOM 0 HD23 LEU A 90 -10.397 -4.027 -11.773 1.00 0.36 H new ATOM 1478 N MET A 91 -5.904 -4.522 -9.563 1.00 0.43 N ATOM 1479 CA MET A 91 -4.525 -4.004 -9.813 1.00 0.49 C ATOM 1480 C MET A 91 -3.859 -4.901 -10.843 1.00 0.54 C ATOM 1481 O MET A 91 -3.292 -4.440 -11.813 1.00 0.58 O ATOM 1482 CB MET A 91 -3.720 -3.999 -8.515 1.00 0.52 C ATOM 1483 CG MET A 91 -4.209 -2.869 -7.597 1.00 0.48 C ATOM 1484 SD MET A 91 -3.813 -3.279 -5.880 1.00 0.55 S ATOM 1485 CE MET A 91 -4.338 -1.711 -5.145 1.00 0.60 C ATOM 0 H MET A 91 -5.997 -5.159 -8.772 1.00 0.43 H new ATOM 0 HA MET A 91 -4.571 -2.980 -10.185 1.00 0.49 H new ATOM 0 HB2 MET A 91 -3.823 -4.959 -8.010 1.00 0.52 H new ATOM 0 HB3 MET A 91 -2.661 -3.867 -8.735 1.00 0.52 H new ATOM 0 HG2 MET A 91 -3.736 -1.928 -7.876 1.00 0.48 H new ATOM 0 HG3 MET A 91 -5.284 -2.732 -7.711 1.00 0.48 H new ATOM 0 HE1 MET A 91 -4.130 -1.723 -4.075 1.00 0.60 H new ATOM 0 HE2 MET A 91 -3.793 -0.890 -5.612 1.00 0.60 H new ATOM 0 HE3 MET A 91 -5.407 -1.574 -5.305 1.00 0.60 H new ATOM 1495 N GLN A 92 -3.955 -6.188 -10.661 1.00 0.56 N ATOM 1496 CA GLN A 92 -3.362 -7.121 -11.654 1.00 0.62 C ATOM 1497 C GLN A 92 -3.889 -6.709 -13.022 1.00 0.61 C ATOM 1498 O GLN A 92 -3.228 -6.851 -14.032 1.00 0.69 O ATOM 1499 CB GLN A 92 -3.794 -8.558 -11.336 1.00 0.64 C ATOM 1500 CG GLN A 92 -3.137 -9.531 -12.320 1.00 0.66 C ATOM 1501 CD GLN A 92 -1.620 -9.510 -12.129 1.00 0.68 C ATOM 1502 OE1 GLN A 92 -1.116 -9.832 -10.970 1.00 0.72 O flip ATOM 1503 NE2 GLN A 92 -0.885 -9.198 -13.045 1.00 0.67 N flip ATOM 0 H GLN A 92 -4.418 -6.632 -9.868 1.00 0.56 H new ATOM 0 HA GLN A 92 -2.273 -7.080 -11.630 1.00 0.62 H new ATOM 0 HB2 GLN A 92 -3.512 -8.814 -10.315 1.00 0.64 H new ATOM 0 HB3 GLN A 92 -4.879 -8.643 -11.397 1.00 0.64 H new ATOM 0 HG2 GLN A 92 -3.520 -10.539 -12.160 1.00 0.66 H new ATOM 0 HG3 GLN A 92 -3.388 -9.253 -13.344 1.00 0.66 H new ATOM 0 HE21 GLN A 92 -1.279 -8.946 -13.952 1.00 0.67 H new ATOM 0 HE22 GLN A 92 0.126 -9.188 -12.907 1.00 0.67 H new ATOM 1512 N ASP A 93 -5.079 -6.163 -13.049 1.00 0.54 N ATOM 1513 CA ASP A 93 -5.655 -5.698 -14.336 1.00 0.54 C ATOM 1514 C ASP A 93 -5.113 -4.299 -14.604 1.00 0.55 C ATOM 1515 O ASP A 93 -4.552 -4.017 -15.644 1.00 0.62 O ATOM 1516 CB ASP A 93 -7.190 -5.660 -14.212 1.00 0.50 C ATOM 1517 CG ASP A 93 -7.844 -6.025 -15.550 1.00 0.61 C ATOM 1518 OD1 ASP A 93 -7.985 -7.208 -15.815 1.00 0.80 O ATOM 1519 OD2 ASP A 93 -8.190 -5.115 -16.285 1.00 0.75 O ATOM 0 H ASP A 93 -5.673 -6.021 -12.232 1.00 0.54 H new ATOM 0 HA ASP A 93 -5.387 -6.366 -15.155 1.00 0.54 H new ATOM 0 HB2 ASP A 93 -7.516 -6.356 -13.439 1.00 0.50 H new ATOM 0 HB3 ASP A 93 -7.512 -4.666 -13.902 1.00 0.50 H new ATOM 1524 N GLY A 94 -5.271 -3.429 -13.653 1.00 0.54 N ATOM 1525 CA GLY A 94 -4.759 -2.044 -13.817 1.00 0.61 C ATOM 1526 C GLY A 94 -3.247 -2.090 -14.051 1.00 0.73 C ATOM 1527 O GLY A 94 -2.617 -1.071 -14.252 1.00 0.82 O ATOM 0 H GLY A 94 -5.735 -3.617 -12.764 1.00 0.54 H new ATOM 0 HA2 GLY A 94 -5.254 -1.558 -14.657 1.00 0.61 H new ATOM 0 HA3 GLY A 94 -4.984 -1.453 -12.929 1.00 0.61 H new ATOM 1531 N GLY A 95 -2.660 -3.270 -14.037 1.00 0.80 N ATOM 1532 CA GLY A 95 -1.179 -3.390 -14.272 1.00 0.94 C ATOM 1533 C GLY A 95 -0.504 -4.121 -13.103 1.00 0.92 C ATOM 1534 O GLY A 95 -0.569 -5.329 -13.000 1.00 0.91 O ATOM 0 H GLY A 95 -3.142 -4.154 -13.873 1.00 0.80 H new ATOM 0 HA2 GLY A 95 -0.995 -3.930 -15.201 1.00 0.94 H new ATOM 0 HA3 GLY A 95 -0.742 -2.398 -14.389 1.00 0.94 H new ATOM 1538 N LEU A 96 0.156 -3.393 -12.232 1.00 0.92 N ATOM 1539 CA LEU A 96 0.854 -4.021 -11.067 1.00 0.91 C ATOM 1540 C LEU A 96 2.049 -4.855 -11.542 1.00 0.94 C ATOM 1541 O LEU A 96 3.022 -5.022 -10.834 1.00 0.95 O ATOM 1542 CB LEU A 96 -0.129 -4.908 -10.299 1.00 0.89 C ATOM 1543 CG LEU A 96 0.349 -5.108 -8.849 1.00 0.87 C ATOM 1544 CD1 LEU A 96 0.287 -3.781 -8.059 1.00 0.93 C ATOM 1545 CD2 LEU A 96 -0.541 -6.161 -8.176 1.00 0.86 C ATOM 0 H LEU A 96 0.241 -2.378 -12.281 1.00 0.92 H new ATOM 0 HA LEU A 96 1.222 -3.233 -10.410 1.00 0.91 H new ATOM 0 HB2 LEU A 96 -1.119 -4.452 -10.303 1.00 0.89 H new ATOM 0 HB3 LEU A 96 -0.221 -5.874 -10.795 1.00 0.89 H new ATOM 0 HG LEU A 96 1.386 -5.445 -8.858 1.00 0.87 H new ATOM 0 HD11 LEU A 96 0.630 -3.949 -7.038 1.00 0.93 H new ATOM 0 HD12 LEU A 96 0.927 -3.041 -8.540 1.00 0.93 H new ATOM 0 HD13 LEU A 96 -0.740 -3.416 -8.042 1.00 0.93 H new ATOM 0 HD21 LEU A 96 -0.212 -6.312 -7.148 1.00 0.86 H new ATOM 0 HD22 LEU A 96 -1.576 -5.819 -8.180 1.00 0.86 H new ATOM 0 HD23 LEU A 96 -0.468 -7.102 -8.722 1.00 0.86 H new ATOM 1557 N GLU A 97 1.980 -5.372 -12.731 1.00 0.96 N ATOM 1558 CA GLU A 97 3.105 -6.193 -13.271 1.00 1.00 C ATOM 1559 C GLU A 97 3.346 -7.415 -12.377 1.00 0.99 C ATOM 1560 O GLU A 97 2.980 -7.430 -11.220 1.00 0.99 O ATOM 1561 CB GLU A 97 4.380 -5.347 -13.334 1.00 1.05 C ATOM 1562 CG GLU A 97 4.050 -3.966 -13.904 1.00 1.13 C ATOM 1563 CD GLU A 97 5.348 -3.208 -14.186 1.00 1.25 C ATOM 1564 OE1 GLU A 97 6.275 -3.824 -14.683 1.00 1.27 O ATOM 1565 OE2 GLU A 97 5.392 -2.022 -13.899 1.00 1.37 O ATOM 0 H GLU A 97 1.187 -5.263 -13.363 1.00 0.96 H new ATOM 0 HA GLU A 97 2.843 -6.531 -14.273 1.00 1.00 H new ATOM 0 HB2 GLU A 97 4.812 -5.247 -12.338 1.00 1.05 H new ATOM 0 HB3 GLU A 97 5.126 -5.840 -13.957 1.00 1.05 H new ATOM 0 HG2 GLU A 97 3.469 -4.068 -14.821 1.00 1.13 H new ATOM 0 HG3 GLU A 97 3.436 -3.407 -13.198 1.00 1.13 H new ATOM 1572 N LYS A 98 3.963 -8.433 -12.930 1.00 1.02 N ATOM 1573 CA LYS A 98 4.257 -9.693 -12.171 1.00 1.01 C ATOM 1574 C LYS A 98 4.544 -9.400 -10.679 1.00 1.00 C ATOM 1575 O LYS A 98 5.652 -9.026 -10.348 1.00 1.04 O ATOM 1576 CB LYS A 98 5.504 -10.341 -12.778 1.00 1.08 C ATOM 1577 CG LYS A 98 5.224 -10.725 -14.236 1.00 1.09 C ATOM 1578 CD LYS A 98 6.532 -11.132 -14.941 1.00 1.13 C ATOM 1579 CE LYS A 98 7.249 -9.891 -15.489 1.00 1.16 C ATOM 1580 NZ LYS A 98 8.463 -10.313 -16.244 1.00 1.18 N ATOM 0 H LYS A 98 4.283 -8.444 -13.899 1.00 1.02 H new ATOM 0 HA LYS A 98 3.388 -10.348 -12.238 1.00 1.01 H new ATOM 0 HB2 LYS A 98 6.346 -9.651 -12.728 1.00 1.08 H new ATOM 0 HB3 LYS A 98 5.782 -11.225 -12.205 1.00 1.08 H new ATOM 0 HG2 LYS A 98 4.512 -11.549 -14.272 1.00 1.09 H new ATOM 0 HG3 LYS A 98 4.767 -9.885 -14.759 1.00 1.09 H new ATOM 0 HD2 LYS A 98 7.182 -11.657 -14.241 1.00 1.13 H new ATOM 0 HD3 LYS A 98 6.315 -11.824 -15.755 1.00 1.13 H new ATOM 0 HE2 LYS A 98 6.580 -9.329 -16.140 1.00 1.16 H new ATOM 0 HE3 LYS A 98 7.529 -9.228 -14.670 1.00 1.16 H new ATOM 0 HZ1 LYS A 98 8.950 -9.473 -16.616 1.00 1.18 H new ATOM 0 HZ2 LYS A 98 9.103 -10.832 -15.610 1.00 1.18 H new ATOM 0 HZ3 LYS A 98 8.184 -10.929 -17.034 1.00 1.18 H new ATOM 1594 N PRO A 99 3.562 -9.582 -9.806 1.00 0.93 N ATOM 1595 CA PRO A 99 3.766 -9.335 -8.364 1.00 0.91 C ATOM 1596 C PRO A 99 4.680 -10.421 -7.786 1.00 0.98 C ATOM 1597 O PRO A 99 4.898 -11.444 -8.405 1.00 1.02 O ATOM 1598 CB PRO A 99 2.356 -9.409 -7.740 1.00 0.84 C ATOM 1599 CG PRO A 99 1.381 -9.888 -8.856 1.00 0.82 C ATOM 1600 CD PRO A 99 2.197 -10.029 -10.161 1.00 0.88 C ATOM 0 HA PRO A 99 4.239 -8.374 -8.161 1.00 0.91 H new ATOM 0 HB2 PRO A 99 2.345 -10.100 -6.897 1.00 0.84 H new ATOM 0 HB3 PRO A 99 2.053 -8.434 -7.357 1.00 0.84 H new ATOM 0 HG2 PRO A 99 0.926 -10.841 -8.584 1.00 0.82 H new ATOM 0 HG3 PRO A 99 0.569 -9.173 -8.988 1.00 0.82 H new ATOM 0 HD2 PRO A 99 2.199 -11.059 -10.517 1.00 0.88 H new ATOM 0 HD3 PRO A 99 1.776 -9.417 -10.959 1.00 0.88 H new ATOM 1608 N LYS A 100 5.221 -10.199 -6.610 1.00 0.98 N ATOM 1609 CA LYS A 100 6.137 -11.215 -5.984 1.00 1.05 C ATOM 1610 C LYS A 100 5.508 -11.807 -4.699 1.00 1.02 C ATOM 1611 O LYS A 100 5.489 -13.013 -4.553 1.00 1.04 O ATOM 1612 CB LYS A 100 7.514 -10.554 -5.694 1.00 1.11 C ATOM 1613 CG LYS A 100 8.627 -11.265 -6.487 1.00 1.18 C ATOM 1614 CD LYS A 100 9.998 -10.708 -6.084 1.00 1.25 C ATOM 1615 CE LYS A 100 10.019 -9.186 -6.261 1.00 1.22 C ATOM 1616 NZ LYS A 100 11.419 -8.727 -6.464 1.00 1.30 N ATOM 0 H LYS A 100 5.069 -9.358 -6.054 1.00 0.98 H new ATOM 0 HA LYS A 100 6.286 -12.043 -6.676 1.00 1.05 H new ATOM 0 HB2 LYS A 100 7.483 -9.499 -5.965 1.00 1.11 H new ATOM 0 HB3 LYS A 100 7.731 -10.603 -4.627 1.00 1.11 H new ATOM 0 HG2 LYS A 100 8.591 -12.338 -6.297 1.00 1.18 H new ATOM 0 HG3 LYS A 100 8.469 -11.125 -7.556 1.00 1.18 H new ATOM 0 HD2 LYS A 100 10.213 -10.965 -5.047 1.00 1.25 H new ATOM 0 HD3 LYS A 100 10.778 -11.164 -6.694 1.00 1.25 H new ATOM 0 HE2 LYS A 100 9.405 -8.900 -7.115 1.00 1.22 H new ATOM 0 HE3 LYS A 100 9.590 -8.702 -5.384 1.00 1.22 H new ATOM 0 HZ1 LYS A 100 11.702 -8.114 -5.673 1.00 1.30 H new ATOM 0 HZ2 LYS A 100 12.052 -9.551 -6.507 1.00 1.30 H new ATOM 0 HZ3 LYS A 100 11.484 -8.194 -7.355 1.00 1.30 H new ATOM 1630 N PRO A 101 5.016 -10.979 -3.795 1.00 0.97 N ATOM 1631 CA PRO A 101 4.411 -11.484 -2.549 1.00 0.95 C ATOM 1632 C PRO A 101 2.950 -11.885 -2.826 1.00 0.89 C ATOM 1633 O PRO A 101 2.514 -11.882 -3.960 1.00 0.89 O ATOM 1634 CB PRO A 101 4.525 -10.290 -1.591 1.00 0.92 C ATOM 1635 CG PRO A 101 4.720 -9.027 -2.454 1.00 0.92 C ATOM 1636 CD PRO A 101 5.016 -9.503 -3.900 1.00 0.95 C ATOM 0 HA PRO A 101 4.890 -12.371 -2.135 1.00 0.95 H new ATOM 0 HB2 PRO A 101 3.628 -10.202 -0.978 1.00 0.92 H new ATOM 0 HB3 PRO A 101 5.365 -10.423 -0.909 1.00 0.92 H new ATOM 0 HG2 PRO A 101 3.827 -8.402 -2.429 1.00 0.92 H new ATOM 0 HG3 PRO A 101 5.543 -8.423 -2.072 1.00 0.92 H new ATOM 0 HD2 PRO A 101 4.257 -9.152 -4.599 1.00 0.95 H new ATOM 0 HD3 PRO A 101 5.975 -9.128 -4.256 1.00 0.95 H new ATOM 1644 N ARG A 102 2.201 -12.258 -1.811 1.00 0.84 N ATOM 1645 CA ARG A 102 0.778 -12.694 -2.020 1.00 0.79 C ATOM 1646 C ARG A 102 -0.162 -11.882 -1.099 1.00 0.71 C ATOM 1647 O ARG A 102 0.251 -11.492 -0.028 1.00 0.71 O ATOM 1648 CB ARG A 102 0.693 -14.180 -1.654 1.00 0.83 C ATOM 1649 CG ARG A 102 1.890 -14.907 -2.265 1.00 0.92 C ATOM 1650 CD ARG A 102 1.700 -16.419 -2.128 1.00 0.96 C ATOM 1651 NE ARG A 102 0.723 -16.888 -3.150 1.00 1.05 N ATOM 1652 CZ ARG A 102 0.616 -18.161 -3.414 1.00 1.11 C ATOM 1653 NH1 ARG A 102 1.366 -19.024 -2.784 1.00 1.09 N ATOM 1654 NH2 ARG A 102 -0.240 -18.571 -4.310 1.00 1.18 N ATOM 0 H ARG A 102 2.516 -12.279 -0.841 1.00 0.84 H new ATOM 0 HA ARG A 102 0.477 -12.530 -3.055 1.00 0.79 H new ATOM 0 HB2 ARG A 102 0.690 -14.302 -0.571 1.00 0.83 H new ATOM 0 HB3 ARG A 102 -0.238 -14.608 -2.026 1.00 0.83 H new ATOM 0 HG2 ARG A 102 1.994 -14.638 -3.316 1.00 0.92 H new ATOM 0 HG3 ARG A 102 2.808 -14.599 -1.765 1.00 0.92 H new ATOM 0 HD2 ARG A 102 2.654 -16.930 -2.259 1.00 0.96 H new ATOM 0 HD3 ARG A 102 1.342 -16.663 -1.128 1.00 0.96 H new ATOM 0 HE ARG A 102 0.138 -16.214 -3.643 1.00 1.05 H new ATOM 0 HH11 ARG A 102 2.036 -18.703 -2.085 1.00 1.09 H new ATOM 0 HH12 ARG A 102 1.282 -20.019 -2.991 1.00 1.09 H new ATOM 0 HH21 ARG A 102 -0.825 -17.896 -4.803 1.00 1.18 H new ATOM 0 HH22 ARG A 102 -0.324 -19.566 -4.517 1.00 1.18 H new ATOM 1668 N PRO A 103 -1.408 -11.665 -1.521 1.00 0.66 N ATOM 1669 CA PRO A 103 -2.400 -10.913 -0.716 1.00 0.59 C ATOM 1670 C PRO A 103 -2.249 -11.245 0.768 1.00 0.59 C ATOM 1671 O PRO A 103 -2.545 -10.440 1.629 1.00 0.55 O ATOM 1672 CB PRO A 103 -3.755 -11.368 -1.282 1.00 0.57 C ATOM 1673 CG PRO A 103 -3.467 -11.921 -2.705 1.00 0.61 C ATOM 1674 CD PRO A 103 -1.942 -12.158 -2.805 1.00 0.67 C ATOM 0 HA PRO A 103 -2.280 -9.832 -0.779 1.00 0.59 H new ATOM 0 HB2 PRO A 103 -4.203 -12.135 -0.650 1.00 0.57 H new ATOM 0 HB3 PRO A 103 -4.459 -10.537 -1.323 1.00 0.57 H new ATOM 0 HG2 PRO A 103 -4.012 -12.849 -2.874 1.00 0.61 H new ATOM 0 HG3 PRO A 103 -3.797 -11.214 -3.466 1.00 0.61 H new ATOM 0 HD2 PRO A 103 -1.713 -13.214 -2.951 1.00 0.67 H new ATOM 0 HD3 PRO A 103 -1.511 -11.618 -3.648 1.00 0.67 H new ATOM 1682 N GLU A 104 -1.764 -12.412 1.071 1.00 0.64 N ATOM 1683 CA GLU A 104 -1.566 -12.778 2.493 1.00 0.65 C ATOM 1684 C GLU A 104 -0.372 -11.993 3.017 1.00 0.67 C ATOM 1685 O GLU A 104 -0.480 -11.203 3.928 1.00 0.65 O ATOM 1686 CB GLU A 104 -1.270 -14.275 2.592 1.00 0.71 C ATOM 1687 CG GLU A 104 -2.476 -15.069 2.093 1.00 0.71 C ATOM 1688 CD GLU A 104 -2.139 -16.560 2.091 1.00 0.78 C ATOM 1689 OE1 GLU A 104 -2.263 -17.177 3.136 1.00 0.81 O ATOM 1690 OE2 GLU A 104 -1.762 -17.060 1.044 1.00 0.82 O ATOM 0 H GLU A 104 -1.497 -13.127 0.395 1.00 0.64 H new ATOM 0 HA GLU A 104 -2.459 -12.549 3.075 1.00 0.65 H new ATOM 0 HB2 GLU A 104 -0.389 -14.522 2.000 1.00 0.71 H new ATOM 0 HB3 GLU A 104 -1.046 -14.544 3.624 1.00 0.71 H new ATOM 0 HG2 GLU A 104 -3.338 -14.881 2.732 1.00 0.71 H new ATOM 0 HG3 GLU A 104 -2.748 -14.745 1.088 1.00 0.71 H new ATOM 1697 N ASP A 105 0.760 -12.203 2.410 1.00 0.73 N ATOM 1698 CA ASP A 105 2.006 -11.496 2.808 1.00 0.78 C ATOM 1699 C ASP A 105 1.700 -10.022 3.077 1.00 0.73 C ATOM 1700 O ASP A 105 2.390 -9.359 3.818 1.00 0.77 O ATOM 1701 CB ASP A 105 3.013 -11.611 1.654 1.00 0.83 C ATOM 1702 CG ASP A 105 2.930 -13.009 1.037 1.00 0.88 C ATOM 1703 OD1 ASP A 105 2.300 -13.867 1.633 1.00 0.86 O ATOM 1704 OD2 ASP A 105 3.508 -13.200 -0.020 1.00 0.94 O ATOM 0 H ASP A 105 0.876 -12.854 1.633 1.00 0.73 H new ATOM 0 HA ASP A 105 2.417 -11.940 3.714 1.00 0.78 H new ATOM 0 HB2 ASP A 105 2.802 -10.855 0.897 1.00 0.83 H new ATOM 0 HB3 ASP A 105 4.023 -11.423 2.019 1.00 0.83 H new ATOM 1709 N ILE A 106 0.663 -9.508 2.486 1.00 0.67 N ATOM 1710 CA ILE A 106 0.307 -8.077 2.717 1.00 0.64 C ATOM 1711 C ILE A 106 -0.524 -8.005 4.005 1.00 0.59 C ATOM 1712 O ILE A 106 -0.076 -7.510 5.020 1.00 0.61 O ATOM 1713 CB ILE A 106 -0.510 -7.543 1.515 1.00 0.61 C ATOM 1714 CG1 ILE A 106 -0.115 -8.283 0.229 1.00 0.64 C ATOM 1715 CG2 ILE A 106 -0.265 -6.046 1.314 1.00 0.62 C ATOM 1716 CD1 ILE A 106 1.384 -8.109 -0.057 1.00 0.72 C ATOM 0 H ILE A 106 0.044 -10.013 1.852 1.00 0.67 H new ATOM 0 HA ILE A 106 1.204 -7.465 2.816 1.00 0.64 H new ATOM 0 HB ILE A 106 -1.565 -7.712 1.730 1.00 0.61 H new ATOM 0 HG12 ILE A 106 -0.352 -9.343 0.326 1.00 0.64 H new ATOM 0 HG13 ILE A 106 -0.697 -7.902 -0.610 1.00 0.64 H new ATOM 0 HG21 ILE A 106 -0.849 -5.693 0.464 1.00 0.62 H new ATOM 0 HG22 ILE A 106 -0.565 -5.505 2.211 1.00 0.62 H new ATOM 0 HG23 ILE A 106 0.794 -5.873 1.123 1.00 0.62 H new ATOM 0 HD11 ILE A 106 1.644 -8.641 -0.972 1.00 0.72 H new ATOM 0 HD12 ILE A 106 1.611 -7.050 -0.176 1.00 0.72 H new ATOM 0 HD13 ILE A 106 1.962 -8.513 0.774 1.00 0.72 H new ATOM 1728 N VAL A 107 -1.727 -8.528 3.972 1.00 0.54 N ATOM 1729 CA VAL A 107 -2.590 -8.529 5.195 1.00 0.51 C ATOM 1730 C VAL A 107 -1.748 -8.986 6.391 1.00 0.53 C ATOM 1731 O VAL A 107 -2.015 -8.645 7.526 1.00 0.50 O ATOM 1732 CB VAL A 107 -3.715 -9.564 4.984 1.00 0.49 C ATOM 1733 CG1 VAL A 107 -4.398 -9.943 6.314 1.00 0.48 C ATOM 1734 CG2 VAL A 107 -4.753 -9.014 4.012 1.00 0.46 C ATOM 0 H VAL A 107 -2.149 -8.955 3.148 1.00 0.54 H new ATOM 0 HA VAL A 107 -2.998 -7.534 5.373 1.00 0.51 H new ATOM 0 HB VAL A 107 -3.263 -10.465 4.569 1.00 0.49 H new ATOM 0 HG11 VAL A 107 -5.184 -10.674 6.124 1.00 0.48 H new ATOM 0 HG12 VAL A 107 -3.661 -10.372 6.993 1.00 0.48 H new ATOM 0 HG13 VAL A 107 -4.833 -9.052 6.767 1.00 0.48 H new ATOM 0 HG21 VAL A 107 -5.543 -9.751 3.869 1.00 0.46 H new ATOM 0 HG22 VAL A 107 -5.181 -8.097 4.417 1.00 0.46 H new ATOM 0 HG23 VAL A 107 -4.278 -8.801 3.055 1.00 0.46 H new ATOM 1744 N ASN A 108 -0.755 -9.791 6.134 1.00 0.59 N ATOM 1745 CA ASN A 108 0.095 -10.328 7.236 1.00 0.63 C ATOM 1746 C ASN A 108 0.732 -9.178 8.034 1.00 0.63 C ATOM 1747 O ASN A 108 1.583 -9.399 8.872 1.00 0.66 O ATOM 1748 CB ASN A 108 1.204 -11.219 6.625 1.00 0.69 C ATOM 1749 CG ASN A 108 1.552 -12.365 7.584 1.00 1.07 C ATOM 1750 OD1 ASN A 108 1.354 -13.520 7.266 1.00 1.33 O ATOM 1751 ND2 ASN A 108 2.065 -12.090 8.753 1.00 1.35 N ATOM 0 H ASN A 108 -0.493 -10.103 5.199 1.00 0.59 H new ATOM 0 HA ASN A 108 -0.524 -10.915 7.914 1.00 0.63 H new ATOM 0 HB2 ASN A 108 0.870 -11.624 5.669 1.00 0.69 H new ATOM 0 HB3 ASN A 108 2.093 -10.620 6.425 1.00 0.69 H new ATOM 0 HD21 ASN A 108 2.299 -12.845 9.398 1.00 1.35 H new ATOM 0 HD22 ASN A 108 2.232 -11.120 9.021 1.00 1.35 H new ATOM 1758 N CYS A 109 0.329 -7.960 7.791 1.00 0.61 N ATOM 1759 CA CYS A 109 0.912 -6.816 8.548 1.00 0.63 C ATOM 1760 C CYS A 109 2.438 -6.844 8.438 1.00 0.70 C ATOM 1761 O CYS A 109 3.118 -6.006 8.995 1.00 0.85 O ATOM 1762 CB CYS A 109 0.507 -6.921 10.020 1.00 0.62 C ATOM 1763 SG CYS A 109 1.039 -5.430 10.897 1.00 0.66 S ATOM 0 H CYS A 109 -0.379 -7.708 7.101 1.00 0.61 H new ATOM 0 HA CYS A 109 0.538 -5.881 8.130 1.00 0.63 H new ATOM 0 HB2 CYS A 109 -0.573 -7.040 10.104 1.00 0.62 H new ATOM 0 HB3 CYS A 109 0.961 -7.803 10.471 1.00 0.62 H new ATOM 0 HG CYS A 109 2.190 -5.042 10.434 1.00 0.66 H new ATOM 1769 N ASP A 110 2.992 -7.787 7.718 1.00 0.72 N ATOM 1770 CA ASP A 110 4.463 -7.826 7.586 1.00 0.79 C ATOM 1771 C ASP A 110 4.888 -6.654 6.723 1.00 0.81 C ATOM 1772 O ASP A 110 4.106 -6.094 5.982 1.00 0.80 O ATOM 1773 CB ASP A 110 4.920 -9.143 6.941 1.00 0.84 C ATOM 1774 CG ASP A 110 4.336 -9.285 5.533 1.00 0.85 C ATOM 1775 OD1 ASP A 110 4.208 -8.280 4.854 1.00 0.98 O ATOM 1776 OD2 ASP A 110 4.037 -10.405 5.153 1.00 0.88 O ATOM 0 H ASP A 110 2.487 -8.522 7.223 1.00 0.72 H new ATOM 0 HA ASP A 110 4.921 -7.762 8.573 1.00 0.79 H new ATOM 0 HB2 ASP A 110 6.009 -9.172 6.894 1.00 0.84 H new ATOM 0 HB3 ASP A 110 4.605 -9.985 7.558 1.00 0.84 H new ATOM 1781 N LEU A 111 6.117 -6.284 6.814 1.00 0.89 N ATOM 1782 CA LEU A 111 6.629 -5.155 6.013 1.00 0.93 C ATOM 1783 C LEU A 111 7.293 -5.713 4.764 1.00 0.97 C ATOM 1784 O LEU A 111 7.011 -5.316 3.680 1.00 0.96 O ATOM 1785 CB LEU A 111 7.662 -4.395 6.845 1.00 1.02 C ATOM 1786 CG LEU A 111 6.953 -3.514 7.879 1.00 1.06 C ATOM 1787 CD1 LEU A 111 6.195 -4.394 8.882 1.00 1.09 C ATOM 1788 CD2 LEU A 111 7.994 -2.671 8.620 1.00 1.12 C ATOM 0 H LEU A 111 6.807 -6.724 7.423 1.00 0.89 H new ATOM 0 HA LEU A 111 5.818 -4.483 5.732 1.00 0.93 H new ATOM 0 HB2 LEU A 111 8.326 -5.099 7.348 1.00 1.02 H new ATOM 0 HB3 LEU A 111 8.284 -3.779 6.195 1.00 1.02 H new ATOM 0 HG LEU A 111 6.243 -2.860 7.373 1.00 1.06 H new ATOM 0 HD11 LEU A 111 5.693 -3.762 9.614 1.00 1.09 H new ATOM 0 HD12 LEU A 111 5.455 -4.994 8.353 1.00 1.09 H new ATOM 0 HD13 LEU A 111 6.898 -5.052 9.392 1.00 1.09 H new ATOM 0 HD21 LEU A 111 7.495 -2.042 9.357 1.00 1.12 H new ATOM 0 HD22 LEU A 111 8.703 -3.328 9.124 1.00 1.12 H new ATOM 0 HD23 LEU A 111 8.527 -2.042 7.907 1.00 1.12 H new ATOM 1800 N LYS A 112 8.183 -6.633 4.940 1.00 1.00 N ATOM 1801 CA LYS A 112 8.930 -7.237 3.798 1.00 1.04 C ATOM 1802 C LYS A 112 8.143 -7.255 2.486 1.00 1.02 C ATOM 1803 O LYS A 112 8.385 -6.481 1.572 1.00 1.04 O ATOM 1804 CB LYS A 112 9.236 -8.677 4.202 1.00 1.06 C ATOM 1805 CG LYS A 112 10.052 -9.370 3.106 1.00 1.12 C ATOM 1806 CD LYS A 112 10.872 -10.517 3.713 1.00 1.15 C ATOM 1807 CE LYS A 112 11.342 -11.460 2.604 1.00 1.20 C ATOM 1808 NZ LYS A 112 10.162 -11.981 1.858 1.00 1.17 N ATOM 0 H LYS A 112 8.438 -7.009 5.853 1.00 1.00 H new ATOM 0 HA LYS A 112 9.820 -6.636 3.610 1.00 1.04 H new ATOM 0 HB2 LYS A 112 9.789 -8.690 5.141 1.00 1.06 H new ATOM 0 HB3 LYS A 112 8.307 -9.220 4.373 1.00 1.06 H new ATOM 0 HG2 LYS A 112 9.387 -9.756 2.334 1.00 1.12 H new ATOM 0 HG3 LYS A 112 10.716 -8.651 2.625 1.00 1.12 H new ATOM 0 HD2 LYS A 112 11.731 -10.117 4.251 1.00 1.15 H new ATOM 0 HD3 LYS A 112 10.269 -11.064 4.437 1.00 1.15 H new ATOM 0 HE2 LYS A 112 12.011 -10.933 1.924 1.00 1.20 H new ATOM 0 HE3 LYS A 112 11.909 -12.287 3.032 1.00 1.20 H new ATOM 0 HZ1 LYS A 112 10.284 -12.999 1.683 1.00 1.17 H new ATOM 0 HZ2 LYS A 112 9.300 -11.827 2.420 1.00 1.17 H new ATOM 0 HZ3 LYS A 112 10.077 -11.481 0.950 1.00 1.17 H new ATOM 1822 N SER A 113 7.235 -8.147 2.385 1.00 0.98 N ATOM 1823 CA SER A 113 6.436 -8.285 1.146 1.00 0.96 C ATOM 1824 C SER A 113 5.653 -6.999 0.828 1.00 0.92 C ATOM 1825 O SER A 113 5.783 -6.403 -0.229 1.00 0.94 O ATOM 1826 CB SER A 113 5.453 -9.409 1.422 1.00 0.92 C ATOM 1827 OG SER A 113 5.120 -9.399 2.804 1.00 0.90 O ATOM 0 H SER A 113 6.997 -8.810 3.122 1.00 0.98 H new ATOM 0 HA SER A 113 7.084 -8.483 0.292 1.00 0.96 H new ATOM 0 HB2 SER A 113 4.555 -9.282 0.817 1.00 0.92 H new ATOM 0 HB3 SER A 113 5.890 -10.369 1.146 1.00 0.92 H new ATOM 0 HG SER A 113 4.159 -9.240 2.908 1.00 0.90 H new ATOM 1833 N THR A 114 4.826 -6.605 1.740 1.00 0.88 N ATOM 1834 CA THR A 114 3.982 -5.390 1.554 1.00 0.85 C ATOM 1835 C THR A 114 4.844 -4.254 0.984 1.00 0.89 C ATOM 1836 O THR A 114 4.400 -3.474 0.175 1.00 0.89 O ATOM 1837 CB THR A 114 3.356 -5.009 2.926 1.00 0.81 C ATOM 1838 OG1 THR A 114 2.007 -5.420 2.954 1.00 0.76 O ATOM 1839 CG2 THR A 114 3.386 -3.497 3.162 1.00 0.84 C ATOM 0 H THR A 114 4.691 -7.081 2.632 1.00 0.88 H new ATOM 0 HA THR A 114 3.175 -5.579 0.846 1.00 0.85 H new ATOM 0 HB THR A 114 3.941 -5.503 3.701 1.00 0.81 H new ATOM 0 HG1 THR A 114 1.611 -5.183 3.818 1.00 0.76 H new ATOM 0 HG21 THR A 114 2.940 -3.271 4.131 1.00 0.84 H new ATOM 0 HG22 THR A 114 4.418 -3.147 3.147 1.00 0.84 H new ATOM 0 HG23 THR A 114 2.821 -2.995 2.376 1.00 0.84 H new ATOM 1847 N LEU A 115 6.066 -4.163 1.408 1.00 0.95 N ATOM 1848 CA LEU A 115 6.966 -3.094 0.917 1.00 1.00 C ATOM 1849 C LEU A 115 7.212 -3.320 -0.569 1.00 1.02 C ATOM 1850 O LEU A 115 7.174 -2.403 -1.353 1.00 1.02 O ATOM 1851 CB LEU A 115 8.315 -3.158 1.686 1.00 1.06 C ATOM 1852 CG LEU A 115 8.406 -2.096 2.805 1.00 1.04 C ATOM 1853 CD1 LEU A 115 8.714 -0.717 2.206 1.00 1.09 C ATOM 1854 CD2 LEU A 115 7.102 -2.038 3.623 1.00 1.06 C ATOM 0 H LEU A 115 6.487 -4.797 2.087 1.00 0.95 H new ATOM 0 HA LEU A 115 6.513 -2.116 1.077 1.00 1.00 H new ATOM 0 HB2 LEU A 115 8.436 -4.151 2.120 1.00 1.06 H new ATOM 0 HB3 LEU A 115 9.137 -3.014 0.985 1.00 1.06 H new ATOM 0 HG LEU A 115 9.216 -2.382 3.476 1.00 1.04 H new ATOM 0 HD11 LEU A 115 8.775 0.021 3.005 1.00 1.09 H new ATOM 0 HD12 LEU A 115 9.665 -0.756 1.674 1.00 1.09 H new ATOM 0 HD13 LEU A 115 7.921 -0.436 1.513 1.00 1.09 H new ATOM 0 HD21 LEU A 115 7.195 -1.282 4.403 1.00 1.06 H new ATOM 0 HD22 LEU A 115 6.271 -1.781 2.966 1.00 1.06 H new ATOM 0 HD23 LEU A 115 6.916 -3.010 4.080 1.00 1.06 H new ATOM 1866 N ARG A 116 7.485 -4.528 -0.966 1.00 1.03 N ATOM 1867 CA ARG A 116 7.757 -4.765 -2.411 1.00 1.05 C ATOM 1868 C ARG A 116 6.588 -4.271 -3.288 1.00 1.01 C ATOM 1869 O ARG A 116 6.794 -3.596 -4.277 1.00 1.04 O ATOM 1870 CB ARG A 116 7.974 -6.270 -2.606 1.00 1.04 C ATOM 1871 CG ARG A 116 9.049 -6.565 -3.669 1.00 1.10 C ATOM 1872 CD ARG A 116 8.447 -6.430 -5.075 1.00 1.10 C ATOM 1873 NE ARG A 116 9.538 -6.443 -6.110 1.00 1.16 N ATOM 1874 CZ ARG A 116 10.501 -5.558 -6.115 1.00 1.17 C ATOM 1875 NH1 ARG A 116 10.466 -4.532 -5.310 1.00 1.13 N ATOM 1876 NH2 ARG A 116 11.481 -5.675 -6.969 1.00 1.23 N ATOM 0 H ARG A 116 7.532 -5.351 -0.365 1.00 1.03 H new ATOM 0 HA ARG A 116 8.643 -4.208 -2.715 1.00 1.05 H new ATOM 0 HB2 ARG A 116 8.269 -6.720 -1.658 1.00 1.04 H new ATOM 0 HB3 ARG A 116 7.034 -6.737 -2.902 1.00 1.04 H new ATOM 0 HG2 ARG A 116 9.885 -5.875 -3.554 1.00 1.10 H new ATOM 0 HG3 ARG A 116 9.445 -7.571 -3.529 1.00 1.10 H new ATOM 0 HD2 ARG A 116 7.750 -7.247 -5.260 1.00 1.10 H new ATOM 0 HD3 ARG A 116 7.878 -5.503 -5.147 1.00 1.10 H new ATOM 0 HE ARG A 116 9.527 -7.165 -6.831 1.00 1.16 H new ATOM 0 HH11 ARG A 116 9.682 -4.414 -4.668 1.00 1.13 H new ATOM 0 HH12 ARG A 116 11.223 -3.848 -5.322 1.00 1.13 H new ATOM 0 HH21 ARG A 116 11.493 -6.454 -7.628 1.00 1.23 H new ATOM 0 HH22 ARG A 116 12.235 -4.988 -6.978 1.00 1.23 H new ATOM 1890 N VAL A 117 5.377 -4.626 -2.962 1.00 0.95 N ATOM 1891 CA VAL A 117 4.222 -4.202 -3.811 1.00 0.91 C ATOM 1892 C VAL A 117 3.929 -2.711 -3.631 1.00 0.92 C ATOM 1893 O VAL A 117 3.669 -2.010 -4.587 1.00 0.94 O ATOM 1894 CB VAL A 117 2.980 -5.044 -3.445 1.00 0.85 C ATOM 1895 CG1 VAL A 117 1.692 -4.350 -3.913 1.00 0.82 C ATOM 1896 CG2 VAL A 117 3.079 -6.416 -4.124 1.00 0.85 C ATOM 0 H VAL A 117 5.134 -5.190 -2.147 1.00 0.95 H new ATOM 0 HA VAL A 117 4.475 -4.367 -4.858 1.00 0.91 H new ATOM 0 HB VAL A 117 2.947 -5.157 -2.361 1.00 0.85 H new ATOM 0 HG11 VAL A 117 0.831 -4.962 -3.644 1.00 0.82 H new ATOM 0 HG12 VAL A 117 1.609 -3.375 -3.433 1.00 0.82 H new ATOM 0 HG13 VAL A 117 1.721 -4.220 -4.995 1.00 0.82 H new ATOM 0 HG21 VAL A 117 2.204 -7.013 -3.868 1.00 0.85 H new ATOM 0 HG22 VAL A 117 3.125 -6.285 -5.205 1.00 0.85 H new ATOM 0 HG23 VAL A 117 3.979 -6.927 -3.782 1.00 0.85 H new ATOM 1906 N LEU A 118 3.957 -2.216 -2.434 1.00 0.91 N ATOM 1907 CA LEU A 118 3.662 -0.772 -2.253 1.00 0.92 C ATOM 1908 C LEU A 118 4.690 0.018 -3.053 1.00 0.98 C ATOM 1909 O LEU A 118 4.370 1.003 -3.675 1.00 1.00 O ATOM 1910 CB LEU A 118 3.714 -0.381 -0.759 1.00 0.92 C ATOM 1911 CG LEU A 118 2.296 -0.273 -0.166 1.00 0.86 C ATOM 1912 CD1 LEU A 118 1.502 0.863 -0.857 1.00 0.86 C ATOM 1913 CD2 LEU A 118 1.556 -1.613 -0.330 1.00 0.81 C ATOM 0 H LEU A 118 4.168 -2.737 -1.583 1.00 0.91 H new ATOM 0 HA LEU A 118 2.656 -0.549 -2.608 1.00 0.92 H new ATOM 0 HB2 LEU A 118 4.288 -1.124 -0.205 1.00 0.92 H new ATOM 0 HB3 LEU A 118 4.232 0.571 -0.647 1.00 0.92 H new ATOM 0 HG LEU A 118 2.379 -0.039 0.895 1.00 0.86 H new ATOM 0 HD11 LEU A 118 0.503 0.924 -0.425 1.00 0.86 H new ATOM 0 HD12 LEU A 118 2.020 1.811 -0.709 1.00 0.86 H new ATOM 0 HD13 LEU A 118 1.424 0.655 -1.924 1.00 0.86 H new ATOM 0 HD21 LEU A 118 0.554 -1.529 0.091 1.00 0.81 H new ATOM 0 HD22 LEU A 118 1.485 -1.862 -1.389 1.00 0.81 H new ATOM 0 HD23 LEU A 118 2.104 -2.398 0.191 1.00 0.81 H new ATOM 1925 N TYR A 119 5.917 -0.419 -3.071 1.00 1.03 N ATOM 1926 CA TYR A 119 6.933 0.304 -3.870 1.00 1.09 C ATOM 1927 C TYR A 119 6.424 0.352 -5.298 1.00 1.08 C ATOM 1928 O TYR A 119 6.305 1.391 -5.911 1.00 1.11 O ATOM 1929 CB TYR A 119 8.238 -0.479 -3.837 1.00 1.13 C ATOM 1930 CG TYR A 119 9.322 0.339 -4.477 1.00 1.20 C ATOM 1931 CD1 TYR A 119 9.871 1.423 -3.792 1.00 1.24 C ATOM 1932 CD2 TYR A 119 9.770 0.014 -5.756 1.00 1.24 C ATOM 1933 CE1 TYR A 119 10.880 2.188 -4.390 1.00 1.31 C ATOM 1934 CE2 TYR A 119 10.779 0.775 -6.359 1.00 1.31 C ATOM 1935 CZ TYR A 119 11.335 1.864 -5.674 1.00 1.34 C ATOM 1936 OH TYR A 119 12.330 2.616 -6.265 1.00 1.41 O ATOM 0 H TYR A 119 6.255 -1.240 -2.569 1.00 1.03 H new ATOM 0 HA TYR A 119 7.103 1.307 -3.477 1.00 1.09 H new ATOM 0 HB2 TYR A 119 8.506 -0.718 -2.808 1.00 1.13 H new ATOM 0 HB3 TYR A 119 8.121 -1.426 -4.364 1.00 1.13 H new ATOM 0 HD1 TYR A 119 9.518 1.672 -2.802 1.00 1.24 H new ATOM 0 HD2 TYR A 119 9.339 -0.825 -6.282 1.00 1.24 H new ATOM 0 HE1 TYR A 119 11.307 3.027 -3.861 1.00 1.31 H new ATOM 0 HE2 TYR A 119 11.128 0.523 -7.350 1.00 1.31 H new ATOM 0 HH TYR A 119 12.528 2.255 -7.154 1.00 1.41 H new ATOM 1946 N ASN A 120 6.108 -0.795 -5.807 1.00 1.06 N ATOM 1947 CA ASN A 120 5.575 -0.905 -7.186 1.00 1.05 C ATOM 1948 C ASN A 120 4.503 0.184 -7.411 1.00 1.03 C ATOM 1949 O ASN A 120 4.393 0.755 -8.483 1.00 1.05 O ATOM 1950 CB ASN A 120 4.955 -2.316 -7.333 1.00 1.01 C ATOM 1951 CG ASN A 120 5.283 -2.906 -8.712 1.00 1.04 C ATOM 1952 OD1 ASN A 120 5.014 -2.295 -9.727 1.00 1.06 O ATOM 1953 ND2 ASN A 120 5.857 -4.076 -8.788 1.00 1.06 N ATOM 0 H ASN A 120 6.198 -1.684 -5.315 1.00 1.06 H new ATOM 0 HA ASN A 120 6.363 -0.763 -7.925 1.00 1.05 H new ATOM 0 HB2 ASN A 120 5.337 -2.971 -6.550 1.00 1.01 H new ATOM 0 HB3 ASN A 120 3.874 -2.260 -7.202 1.00 1.01 H new ATOM 0 HD21 ASN A 120 6.079 -4.477 -9.699 1.00 1.06 H new ATOM 0 HD22 ASN A 120 6.083 -4.589 -7.936 1.00 1.06 H new ATOM 1960 N LEU A 121 3.716 0.478 -6.407 1.00 0.99 N ATOM 1961 CA LEU A 121 2.663 1.519 -6.569 1.00 0.97 C ATOM 1962 C LEU A 121 3.312 2.900 -6.560 1.00 1.03 C ATOM 1963 O LEU A 121 3.252 3.608 -7.529 1.00 1.05 O ATOM 1964 CB LEU A 121 1.655 1.431 -5.415 1.00 0.92 C ATOM 1965 CG LEU A 121 0.507 0.477 -5.773 1.00 0.87 C ATOM 1966 CD1 LEU A 121 1.048 -0.944 -5.935 1.00 0.86 C ATOM 1967 CD2 LEU A 121 -0.534 0.496 -4.652 1.00 0.87 C ATOM 0 H LEU A 121 3.759 0.042 -5.486 1.00 0.99 H new ATOM 0 HA LEU A 121 2.145 1.357 -7.514 1.00 0.97 H new ATOM 0 HB2 LEU A 121 2.157 1.082 -4.512 1.00 0.92 H new ATOM 0 HB3 LEU A 121 1.257 2.422 -5.196 1.00 0.92 H new ATOM 0 HG LEU A 121 0.049 0.798 -6.708 1.00 0.87 H new ATOM 0 HD11 LEU A 121 0.230 -1.618 -6.189 1.00 0.86 H new ATOM 0 HD12 LEU A 121 1.793 -0.961 -6.731 1.00 0.86 H new ATOM 0 HD13 LEU A 121 1.507 -1.267 -5.001 1.00 0.86 H new ATOM 0 HD21 LEU A 121 -1.351 -0.180 -4.903 1.00 0.87 H new ATOM 0 HD22 LEU A 121 -0.070 0.175 -3.719 1.00 0.87 H new ATOM 0 HD23 LEU A 121 -0.923 1.507 -4.534 1.00 0.87 H new ATOM 1979 N PHE A 122 3.928 3.283 -5.467 1.00 1.05 N ATOM 1980 CA PHE A 122 4.579 4.624 -5.381 1.00 1.11 C ATOM 1981 C PHE A 122 5.257 4.937 -6.687 1.00 1.16 C ATOM 1982 O PHE A 122 5.371 6.062 -7.102 1.00 1.20 O ATOM 1983 CB PHE A 122 5.648 4.551 -4.271 1.00 1.14 C ATOM 1984 CG PHE A 122 5.759 5.855 -3.543 1.00 1.18 C ATOM 1985 CD1 PHE A 122 4.807 6.152 -2.591 1.00 1.16 C ATOM 1986 CD2 PHE A 122 6.813 6.738 -3.798 1.00 1.25 C ATOM 1987 CE1 PHE A 122 4.888 7.350 -1.867 1.00 1.20 C ATOM 1988 CE2 PHE A 122 6.901 7.939 -3.085 1.00 1.29 C ATOM 1989 CZ PHE A 122 5.937 8.246 -2.116 1.00 1.27 C ATOM 0 H PHE A 122 4.007 2.716 -4.623 1.00 1.05 H new ATOM 0 HA PHE A 122 3.839 5.395 -5.165 1.00 1.11 H new ATOM 0 HB2 PHE A 122 5.393 3.759 -3.567 1.00 1.14 H new ATOM 0 HB3 PHE A 122 6.613 4.291 -4.707 1.00 1.14 H new ATOM 0 HD1 PHE A 122 3.998 5.461 -2.403 1.00 1.16 H new ATOM 0 HD2 PHE A 122 7.556 6.494 -4.542 1.00 1.25 H new ATOM 0 HE1 PHE A 122 4.144 7.582 -1.119 1.00 1.20 H new ATOM 0 HE2 PHE A 122 7.710 8.627 -3.281 1.00 1.29 H new ATOM 0 HZ PHE A 122 6.002 9.171 -1.562 1.00 1.27 H new ATOM 1999 N THR A 123 5.683 3.931 -7.325 1.00 1.15 N ATOM 2000 CA THR A 123 6.361 4.118 -8.626 1.00 1.20 C ATOM 2001 C THR A 123 5.338 4.525 -9.680 1.00 1.18 C ATOM 2002 O THR A 123 5.515 5.485 -10.402 1.00 1.22 O ATOM 2003 CB THR A 123 7.033 2.808 -9.043 1.00 1.21 C ATOM 2004 OG1 THR A 123 7.847 2.335 -7.978 1.00 1.22 O ATOM 2005 CG2 THR A 123 7.899 3.046 -10.282 1.00 1.27 C ATOM 0 H THR A 123 5.599 2.964 -7.013 1.00 1.15 H new ATOM 0 HA THR A 123 7.115 4.900 -8.534 1.00 1.20 H new ATOM 0 HB THR A 123 6.269 2.066 -9.275 1.00 1.21 H new ATOM 0 HG1 THR A 123 7.285 1.890 -7.310 1.00 1.22 H new ATOM 0 HG21 THR A 123 8.377 2.112 -10.577 1.00 1.27 H new ATOM 0 HG22 THR A 123 7.274 3.408 -11.099 1.00 1.27 H new ATOM 0 HG23 THR A 123 8.664 3.788 -10.054 1.00 1.27 H new ATOM 2013 N LYS A 124 4.283 3.780 -9.790 1.00 1.12 N ATOM 2014 CA LYS A 124 3.260 4.071 -10.824 1.00 1.10 C ATOM 2015 C LYS A 124 2.367 5.273 -10.489 1.00 1.10 C ATOM 2016 O LYS A 124 1.746 5.828 -11.374 1.00 1.11 O ATOM 2017 CB LYS A 124 2.382 2.844 -10.951 1.00 1.04 C ATOM 2018 CG LYS A 124 3.196 1.683 -11.513 1.00 1.04 C ATOM 2019 CD LYS A 124 2.326 0.411 -11.513 1.00 0.99 C ATOM 2020 CE LYS A 124 2.567 -0.361 -12.807 1.00 0.98 C ATOM 2021 NZ LYS A 124 1.712 -1.577 -12.840 1.00 0.92 N ATOM 0 H LYS A 124 4.082 2.972 -9.201 1.00 1.12 H new ATOM 0 HA LYS A 124 3.784 4.319 -11.747 1.00 1.10 H new ATOM 0 HB2 LYS A 124 1.973 2.576 -9.977 1.00 1.04 H new ATOM 0 HB3 LYS A 124 1.536 3.057 -11.604 1.00 1.04 H new ATOM 0 HG2 LYS A 124 3.528 1.912 -12.526 1.00 1.04 H new ATOM 0 HG3 LYS A 124 4.092 1.526 -10.912 1.00 1.04 H new ATOM 0 HD2 LYS A 124 2.571 -0.212 -10.653 1.00 0.99 H new ATOM 0 HD3 LYS A 124 1.273 0.676 -11.424 1.00 0.99 H new ATOM 0 HE2 LYS A 124 2.345 0.273 -13.665 1.00 0.98 H new ATOM 0 HE3 LYS A 124 3.617 -0.643 -12.882 1.00 0.98 H new ATOM 0 HZ1 LYS A 124 1.793 -2.033 -13.771 1.00 0.92 H new ATOM 0 HZ2 LYS A 124 2.023 -2.240 -12.102 1.00 0.92 H new ATOM 0 HZ3 LYS A 124 0.721 -1.310 -12.670 1.00 0.92 H new ATOM 2035 N TYR A 125 2.255 5.669 -9.244 1.00 1.10 N ATOM 2036 CA TYR A 125 1.348 6.817 -8.905 1.00 1.11 C ATOM 2037 C TYR A 125 2.167 8.072 -8.595 1.00 1.17 C ATOM 2038 O TYR A 125 1.659 9.175 -8.600 1.00 1.20 O ATOM 2039 CB TYR A 125 0.491 6.429 -7.696 1.00 1.06 C ATOM 2040 CG TYR A 125 -0.638 5.513 -8.145 1.00 1.00 C ATOM 2041 CD1 TYR A 125 -0.355 4.236 -8.662 1.00 0.97 C ATOM 2042 CD2 TYR A 125 -1.970 5.941 -8.047 1.00 0.99 C ATOM 2043 CE1 TYR A 125 -1.398 3.399 -9.073 1.00 0.92 C ATOM 2044 CE2 TYR A 125 -3.010 5.099 -8.460 1.00 0.94 C ATOM 2045 CZ TYR A 125 -2.724 3.830 -8.971 1.00 0.90 C ATOM 2046 OH TYR A 125 -3.751 3.002 -9.376 1.00 0.86 O ATOM 0 H TYR A 125 2.746 5.253 -8.453 1.00 1.10 H new ATOM 0 HA TYR A 125 0.704 7.037 -9.756 1.00 1.11 H new ATOM 0 HB2 TYR A 125 1.105 5.927 -6.948 1.00 1.06 H new ATOM 0 HB3 TYR A 125 0.082 7.323 -7.225 1.00 1.06 H new ATOM 0 HD1 TYR A 125 0.669 3.901 -8.742 1.00 0.97 H new ATOM 0 HD2 TYR A 125 -2.194 6.921 -7.653 1.00 0.99 H new ATOM 0 HE1 TYR A 125 -1.179 2.419 -9.470 1.00 0.92 H new ATOM 0 HE2 TYR A 125 -4.035 5.431 -8.383 1.00 0.94 H new ATOM 0 HH TYR A 125 -4.610 3.454 -9.237 1.00 0.86 H new ATOM 2056 N ARG A 126 3.425 7.906 -8.330 1.00 1.20 N ATOM 2057 CA ARG A 126 4.304 9.062 -8.022 1.00 1.27 C ATOM 2058 C ARG A 126 4.028 10.221 -8.995 1.00 1.31 C ATOM 2059 O ARG A 126 4.200 11.377 -8.665 1.00 1.35 O ATOM 2060 CB ARG A 126 5.765 8.556 -8.125 1.00 1.31 C ATOM 2061 CG ARG A 126 6.669 9.578 -8.812 1.00 1.38 C ATOM 2062 CD ARG A 126 8.113 9.060 -8.853 1.00 1.42 C ATOM 2063 NE ARG A 126 9.050 10.218 -8.886 1.00 1.49 N ATOM 2064 CZ ARG A 126 10.319 10.038 -8.644 1.00 1.52 C ATOM 2065 NH1 ARG A 126 10.769 8.843 -8.373 1.00 1.50 N ATOM 2066 NH2 ARG A 126 11.139 11.053 -8.674 1.00 1.59 N ATOM 0 H ARG A 126 3.893 7.000 -8.313 1.00 1.20 H new ATOM 0 HA ARG A 126 4.115 9.450 -7.021 1.00 1.27 H new ATOM 0 HB2 ARG A 126 6.148 8.344 -7.127 1.00 1.31 H new ATOM 0 HB3 ARG A 126 5.787 7.619 -8.681 1.00 1.31 H new ATOM 0 HG2 ARG A 126 6.313 9.767 -9.825 1.00 1.38 H new ATOM 0 HG3 ARG A 126 6.630 10.527 -8.278 1.00 1.38 H new ATOM 0 HD2 ARG A 126 8.314 8.439 -7.980 1.00 1.42 H new ATOM 0 HD3 ARG A 126 8.262 8.432 -9.731 1.00 1.42 H new ATOM 0 HE ARG A 126 8.699 11.152 -9.098 1.00 1.49 H new ATOM 0 HH11 ARG A 126 10.128 8.050 -8.350 1.00 1.50 H new ATOM 0 HH12 ARG A 126 11.761 8.703 -8.184 1.00 1.50 H new ATOM 0 HH21 ARG A 126 10.787 11.987 -8.887 1.00 1.59 H new ATOM 0 HH22 ARG A 126 12.131 10.913 -8.485 1.00 1.59 H new ATOM 2080 N ASN A 127 3.628 9.913 -10.189 1.00 1.30 N ATOM 2081 CA ASN A 127 3.367 10.972 -11.199 1.00 1.33 C ATOM 2082 C ASN A 127 1.928 11.441 -11.053 1.00 1.29 C ATOM 2083 O ASN A 127 1.555 12.521 -11.466 1.00 1.31 O ATOM 2084 CB ASN A 127 3.587 10.356 -12.592 1.00 1.35 C ATOM 2085 CG ASN A 127 4.976 10.723 -13.131 1.00 1.43 C ATOM 2086 OD1 ASN A 127 5.226 11.861 -13.477 1.00 1.46 O ATOM 2087 ND2 ASN A 127 5.893 9.799 -13.218 1.00 1.46 N ATOM 0 H ASN A 127 3.468 8.960 -10.516 1.00 1.30 H new ATOM 0 HA ASN A 127 4.032 11.824 -11.062 1.00 1.33 H new ATOM 0 HB2 ASN A 127 3.487 9.272 -12.536 1.00 1.35 H new ATOM 0 HB3 ASN A 127 2.819 10.712 -13.279 1.00 1.35 H new ATOM 0 HD21 ASN A 127 6.819 10.032 -13.576 1.00 1.46 H new ATOM 0 HD22 ASN A 127 5.684 8.844 -12.928 1.00 1.46 H new ATOM 2094 N VAL A 128 1.130 10.615 -10.471 1.00 1.23 N ATOM 2095 CA VAL A 128 -0.304 10.937 -10.271 1.00 1.18 C ATOM 2096 C VAL A 128 -0.520 11.366 -8.825 1.00 1.15 C ATOM 2097 O VAL A 128 0.077 10.851 -7.901 1.00 1.11 O ATOM 2098 CB VAL A 128 -1.120 9.683 -10.597 1.00 1.14 C ATOM 2099 CG1 VAL A 128 -2.520 9.766 -9.976 1.00 1.09 C ATOM 2100 CG2 VAL A 128 -1.250 9.541 -12.117 1.00 1.17 C ATOM 0 H VAL A 128 1.413 9.703 -10.113 1.00 1.23 H new ATOM 0 HA VAL A 128 -0.620 11.753 -10.921 1.00 1.18 H new ATOM 0 HB VAL A 128 -0.604 8.817 -10.182 1.00 1.14 H new ATOM 0 HG11 VAL A 128 -3.081 8.864 -10.221 1.00 1.09 H new ATOM 0 HG12 VAL A 128 -2.433 9.856 -8.893 1.00 1.09 H new ATOM 0 HG13 VAL A 128 -3.042 10.637 -10.372 1.00 1.09 H new ATOM 0 HG21 VAL A 128 -1.831 8.649 -12.351 1.00 1.17 H new ATOM 0 HG22 VAL A 128 -1.754 10.418 -12.523 1.00 1.17 H new ATOM 0 HG23 VAL A 128 -0.258 9.455 -12.561 1.00 1.17 H new ATOM 2110 N GLU A 129 -1.365 12.326 -8.647 1.00 1.19 N ATOM 2111 CA GLU A 129 -1.657 12.856 -7.304 1.00 1.17 C ATOM 2112 C GLU A 129 -2.459 11.838 -6.490 1.00 1.11 C ATOM 2113 O GLU A 129 -3.630 11.664 -6.785 1.00 1.08 O ATOM 2114 CB GLU A 129 -2.456 14.129 -7.494 1.00 1.21 C ATOM 2115 CG GLU A 129 -1.582 15.140 -8.237 1.00 1.28 C ATOM 2116 CD GLU A 129 -0.550 15.735 -7.276 1.00 1.30 C ATOM 2117 OE1 GLU A 129 -0.856 16.742 -6.659 1.00 1.30 O ATOM 2118 OE2 GLU A 129 0.528 15.173 -7.173 1.00 1.32 O ATOM 2119 OXT GLU A 129 -1.889 11.250 -5.586 1.00 1.08 O ATOM 0 H GLU A 129 -1.881 12.779 -9.401 1.00 1.19 H new ATOM 0 HA GLU A 129 -0.735 13.056 -6.758 1.00 1.17 H new ATOM 0 HB2 GLU A 129 -3.365 13.925 -8.060 1.00 1.21 H new ATOM 0 HB3 GLU A 129 -2.764 14.531 -6.529 1.00 1.21 H new ATOM 0 HG2 GLU A 129 -1.078 14.654 -9.072 1.00 1.28 H new ATOM 0 HG3 GLU A 129 -2.202 15.932 -8.656 1.00 1.28 H new TER 2126 GLU A 129 ATOM 2127 N ASP B 1 19.709 1.339 -5.283 1.00 8.77 N ATOM 2128 CA ASP B 1 20.439 0.852 -4.078 1.00 7.64 C ATOM 2129 C ASP B 1 19.885 1.546 -2.832 1.00 6.39 C ATOM 2130 O ASP B 1 18.970 2.342 -2.909 1.00 5.37 O ATOM 2131 CB ASP B 1 21.930 1.169 -4.226 1.00 8.05 C ATOM 2132 CG ASP B 1 22.702 0.569 -3.049 1.00 9.22 C ATOM 2133 OD1 ASP B 1 22.608 -0.631 -2.854 1.00 10.03 O ATOM 2134 OD2 ASP B 1 23.375 1.321 -2.363 1.00 9.45 O ATOM 0 H1 ASP B 1 19.609 0.561 -5.966 1.00 8.77 H new ATOM 0 H2 ASP B 1 18.766 1.679 -5.004 1.00 8.77 H new ATOM 0 H3 ASP B 1 20.242 2.118 -5.721 1.00 8.77 H new ATOM 0 HA ASP B 1 20.306 -0.225 -3.979 1.00 7.64 H new ATOM 0 HB2 ASP B 1 22.307 0.764 -5.165 1.00 8.05 H new ATOM 0 HB3 ASP B 1 22.081 2.248 -4.261 1.00 8.05 H new ATOM 2141 N LEU B 2 20.429 1.250 -1.684 1.00 6.54 N ATOM 2142 CA LEU B 2 19.928 1.892 -0.436 1.00 5.60 C ATOM 2143 C LEU B 2 20.152 3.400 -0.518 1.00 4.68 C ATOM 2144 O LEU B 2 19.221 4.180 -0.505 1.00 3.60 O ATOM 2145 CB LEU B 2 20.682 1.321 0.772 1.00 6.47 C ATOM 2146 CG LEU B 2 20.107 -0.049 1.138 1.00 7.32 C ATOM 2147 CD1 LEU B 2 20.201 -0.987 -0.069 1.00 8.33 C ATOM 2148 CD2 LEU B 2 20.905 -0.635 2.305 1.00 6.54 C ATOM 0 H LEU B 2 21.198 0.592 -1.556 1.00 6.54 H new ATOM 0 HA LEU B 2 18.863 1.690 -0.323 1.00 5.60 H new ATOM 0 HB2 LEU B 2 21.743 1.231 0.541 1.00 6.47 H new ATOM 0 HB3 LEU B 2 20.597 2.000 1.620 1.00 6.47 H new ATOM 0 HG LEU B 2 19.062 0.060 1.427 1.00 7.32 H new ATOM 0 HD11 LEU B 2 19.791 -1.962 0.195 1.00 8.33 H new ATOM 0 HD12 LEU B 2 19.634 -0.568 -0.901 1.00 8.33 H new ATOM 0 HD13 LEU B 2 21.245 -1.100 -0.362 1.00 8.33 H new ATOM 0 HD21 LEU B 2 20.499 -1.611 2.570 1.00 6.54 H new ATOM 0 HD22 LEU B 2 21.950 -0.743 2.013 1.00 6.54 H new ATOM 0 HD23 LEU B 2 20.836 0.032 3.164 1.00 6.54 H new ATOM 2160 N ASP B 3 21.382 3.813 -0.605 1.00 5.20 N ATOM 2161 CA ASP B 3 21.679 5.271 -0.691 1.00 4.64 C ATOM 2162 C ASP B 3 20.765 5.914 -1.738 1.00 3.51 C ATOM 2163 O ASP B 3 20.463 7.089 -1.677 1.00 2.74 O ATOM 2164 CB ASP B 3 23.142 5.470 -1.097 1.00 5.61 C ATOM 2165 CG ASP B 3 23.440 6.966 -1.224 1.00 6.82 C ATOM 2166 OD1 ASP B 3 22.629 7.752 -0.764 1.00 7.61 O ATOM 2167 OD2 ASP B 3 24.476 7.298 -1.778 1.00 6.92 O ATOM 0 H ASP B 3 22.200 3.203 -0.621 1.00 5.20 H new ATOM 0 HA ASP B 3 21.506 5.737 0.279 1.00 4.64 H new ATOM 0 HB2 ASP B 3 23.801 5.019 -0.355 1.00 5.61 H new ATOM 0 HB3 ASP B 3 23.339 4.968 -2.044 1.00 5.61 H new ATOM 2172 N ALA B 4 20.319 5.148 -2.697 1.00 3.85 N ATOM 2173 CA ALA B 4 19.423 5.710 -3.746 1.00 3.42 C ATOM 2174 C ALA B 4 18.045 5.988 -3.140 1.00 2.89 C ATOM 2175 O ALA B 4 17.638 7.123 -2.994 1.00 2.66 O ATOM 2176 CB ALA B 4 19.287 4.707 -4.897 1.00 4.60 C ATOM 0 H ALA B 4 20.537 4.157 -2.799 1.00 3.85 H new ATOM 0 HA ALA B 4 19.846 6.639 -4.128 1.00 3.42 H new ATOM 0 HB1 ALA B 4 18.631 5.120 -5.664 1.00 4.60 H new ATOM 0 HB2 ALA B 4 20.269 4.511 -5.327 1.00 4.60 H new ATOM 0 HB3 ALA B 4 18.864 3.776 -4.520 1.00 4.60 H new ATOM 2182 N LEU B 5 17.326 4.960 -2.780 1.00 3.21 N ATOM 2183 CA LEU B 5 15.982 5.155 -2.182 1.00 2.91 C ATOM 2184 C LEU B 5 16.052 6.239 -1.100 1.00 1.92 C ATOM 2185 O LEU B 5 15.096 6.951 -0.852 1.00 2.42 O ATOM 2186 CB LEU B 5 15.535 3.831 -1.560 1.00 3.33 C ATOM 2187 CG LEU B 5 15.251 2.791 -2.664 1.00 4.74 C ATOM 2188 CD1 LEU B 5 15.382 1.379 -2.085 1.00 5.26 C ATOM 2189 CD2 LEU B 5 13.830 2.971 -3.215 1.00 5.44 C ATOM 0 H LEU B 5 17.618 3.987 -2.877 1.00 3.21 H new ATOM 0 HA LEU B 5 15.271 5.468 -2.947 1.00 2.91 H new ATOM 0 HB2 LEU B 5 16.308 3.457 -0.889 1.00 3.33 H new ATOM 0 HB3 LEU B 5 14.639 3.988 -0.959 1.00 3.33 H new ATOM 0 HG LEU B 5 15.971 2.934 -3.470 1.00 4.74 H new ATOM 0 HD11 LEU B 5 15.181 0.645 -2.866 1.00 5.26 H new ATOM 0 HD12 LEU B 5 16.393 1.235 -1.703 1.00 5.26 H new ATOM 0 HD13 LEU B 5 14.666 1.251 -1.274 1.00 5.26 H new ATOM 0 HD21 LEU B 5 13.645 2.230 -3.993 1.00 5.44 H new ATOM 0 HD22 LEU B 5 13.108 2.839 -2.409 1.00 5.44 H new ATOM 0 HD23 LEU B 5 13.727 3.972 -3.635 1.00 5.44 H new ATOM 2201 N LEU B 6 17.180 6.375 -0.456 1.00 1.59 N ATOM 2202 CA LEU B 6 17.306 7.415 0.603 1.00 2.01 C ATOM 2203 C LEU B 6 17.332 8.792 -0.058 1.00 2.52 C ATOM 2204 O LEU B 6 16.397 9.557 0.044 1.00 3.51 O ATOM 2205 CB LEU B 6 18.604 7.177 1.401 1.00 2.97 C ATOM 2206 CG LEU B 6 18.860 8.289 2.456 1.00 3.38 C ATOM 2207 CD1 LEU B 6 19.488 9.550 1.822 1.00 4.76 C ATOM 2208 CD2 LEU B 6 17.551 8.669 3.166 1.00 3.25 C ATOM 0 H LEU B 6 18.016 5.813 -0.617 1.00 1.59 H new ATOM 0 HA LEU B 6 16.460 7.362 1.288 1.00 2.01 H new ATOM 0 HB2 LEU B 6 18.548 6.210 1.902 1.00 2.97 H new ATOM 0 HB3 LEU B 6 19.448 7.131 0.713 1.00 2.97 H new ATOM 0 HG LEU B 6 19.566 7.886 3.182 1.00 3.38 H new ATOM 0 HD11 LEU B 6 19.651 10.303 2.593 1.00 4.76 H new ATOM 0 HD12 LEU B 6 20.441 9.290 1.362 1.00 4.76 H new ATOM 0 HD13 LEU B 6 18.816 9.949 1.062 1.00 4.76 H new ATOM 0 HD21 LEU B 6 17.749 9.449 3.901 1.00 3.25 H new ATOM 0 HD22 LEU B 6 16.833 9.036 2.433 1.00 3.25 H new ATOM 0 HD23 LEU B 6 17.142 7.792 3.668 1.00 3.25 H new ATOM 2220 N ALA B 7 18.397 9.113 -0.740 1.00 2.20 N ATOM 2221 CA ALA B 7 18.486 10.444 -1.406 1.00 2.86 C ATOM 2222 C ALA B 7 17.222 10.704 -2.238 1.00 3.63 C ATOM 2223 O ALA B 7 17.031 11.782 -2.766 1.00 4.63 O ATOM 2224 CB ALA B 7 19.717 10.475 -2.316 1.00 2.54 C ATOM 0 H ALA B 7 19.211 8.511 -0.865 1.00 2.20 H new ATOM 0 HA ALA B 7 18.573 11.220 -0.645 1.00 2.86 H new ATOM 0 HB1 ALA B 7 19.784 11.447 -2.804 1.00 2.54 H new ATOM 0 HB2 ALA B 7 20.614 10.305 -1.721 1.00 2.54 H new ATOM 0 HB3 ALA B 7 19.630 9.695 -3.072 1.00 2.54 H new ATOM 2230 N ASP B 8 16.356 9.729 -2.364 1.00 3.56 N ATOM 2231 CA ASP B 8 15.110 9.931 -3.165 1.00 4.78 C ATOM 2232 C ASP B 8 14.000 10.532 -2.286 1.00 5.44 C ATOM 2233 O ASP B 8 13.632 11.678 -2.453 1.00 6.57 O ATOM 2234 CB ASP B 8 14.644 8.587 -3.731 1.00 5.06 C ATOM 2235 CG ASP B 8 13.297 8.768 -4.436 1.00 5.28 C ATOM 2236 OD1 ASP B 8 13.020 9.876 -4.866 1.00 5.19 O ATOM 2237 OD2 ASP B 8 12.567 7.795 -4.535 1.00 5.79 O ATOM 0 H ASP B 8 16.458 8.804 -1.947 1.00 3.56 H new ATOM 0 HA ASP B 8 15.323 10.620 -3.982 1.00 4.78 H new ATOM 0 HB2 ASP B 8 15.384 8.199 -4.432 1.00 5.06 H new ATOM 0 HB3 ASP B 8 14.551 7.855 -2.929 1.00 5.06 H new ATOM 2242 N LEU B 9 13.452 9.772 -1.359 1.00 4.79 N ATOM 2243 CA LEU B 9 12.351 10.322 -0.485 1.00 5.50 C ATOM 2244 C LEU B 9 12.914 10.813 0.852 1.00 6.37 C ATOM 2245 O LEU B 9 12.225 10.828 1.853 1.00 7.54 O ATOM 2246 CB LEU B 9 11.241 9.270 -0.226 1.00 4.72 C ATOM 2247 CG LEU B 9 11.787 7.858 0.108 1.00 3.99 C ATOM 2248 CD1 LEU B 9 12.089 7.076 -1.183 1.00 3.18 C ATOM 2249 CD2 LEU B 9 13.039 7.930 1.005 1.00 4.98 C ATOM 0 H LEU B 9 13.714 8.805 -1.169 1.00 4.79 H new ATOM 0 HA LEU B 9 11.908 11.161 -1.021 1.00 5.50 H new ATOM 0 HB2 LEU B 9 10.614 9.612 0.597 1.00 4.72 H new ATOM 0 HB3 LEU B 9 10.602 9.204 -1.107 1.00 4.72 H new ATOM 0 HG LEU B 9 11.014 7.328 0.665 1.00 3.99 H new ATOM 0 HD11 LEU B 9 12.471 6.087 -0.929 1.00 3.18 H new ATOM 0 HD12 LEU B 9 11.175 6.972 -1.768 1.00 3.18 H new ATOM 0 HD13 LEU B 9 12.835 7.614 -1.768 1.00 3.18 H new ATOM 0 HD21 LEU B 9 13.393 6.921 1.218 1.00 4.98 H new ATOM 0 HD22 LEU B 9 13.822 8.489 0.492 1.00 4.98 H new ATOM 0 HD23 LEU B 9 12.788 8.431 1.940 1.00 4.98 H new ATOM 2261 N GLU B 10 14.154 11.211 0.881 1.00 5.97 N ATOM 2262 CA GLU B 10 14.762 11.698 2.148 1.00 6.96 C ATOM 2263 C GLU B 10 13.799 12.660 2.855 1.00 7.65 C ATOM 2264 O GLU B 10 13.290 13.550 2.193 1.00 8.69 O ATOM 2265 CB GLU B 10 16.098 12.398 1.846 1.00 6.57 C ATOM 2266 CG GLU B 10 16.086 12.855 0.406 1.00 6.56 C ATOM 2267 CD GLU B 10 17.185 13.892 0.168 1.00 6.60 C ATOM 2268 OE1 GLU B 10 17.980 14.099 1.069 1.00 6.36 O ATOM 2269 OE2 GLU B 10 17.214 14.460 -0.912 1.00 7.16 O ATOM 2270 OXT GLU B 10 13.589 12.489 4.044 1.00 7.20 O ATOM 0 H GLU B 10 14.777 11.220 0.074 1.00 5.97 H new ATOM 0 HA GLU B 10 14.951 10.851 2.807 1.00 6.96 H new ATOM 0 HB2 GLU B 10 16.239 13.249 2.512 1.00 6.57 H new ATOM 0 HB3 GLU B 10 16.930 11.716 2.020 1.00 6.57 H new ATOM 0 HG2 GLU B 10 16.234 12.001 -0.255 1.00 6.56 H new ATOM 0 HG3 GLU B 10 15.114 13.283 0.161 1.00 6.56 H new TER 2277 GLU B 10