USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 915 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 104 SER OG : rot -154:sc= 2.28 USER MOD Set 1.2: A 111 GLN : amide:sc= 2.01 K(o=5.5,f=-2) USER MOD Set 1.3: A 113 TYR OH : rot -1:sc= 1.21 USER MOD Set 2.1: A 80 HIS : no HD1:sc= -0.0208 K(o=0.69,f=-9.6!) USER MOD Set 2.2: A 129 HIS : no HD1:sc= -0.744 K(o=0.69,f=-5.2!) USER MOD Set 2.3: A 145 SER OG : rot 113:sc= 1.45 USER MOD Set 3.1: A 50 LYS NZ :NH3+ -153:sc= 0.00218 (180deg=0) USER MOD Set 3.2: A 115 ASN : amide:sc= -0.0245 K(o=-0.022,f=-1.8) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0.0204 USER MOD Single : A 44 GLN : amide:sc= 0.966 K(o=0.97,f=-3.9!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 161:sc= 1.23 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 66 GLN : amide:sc= -2.88 K(o=-2.9,f=-8.4!) USER MOD Single : A 67 CYS SG : rot 180:sc= 0.47 USER MOD Single : A 70 SER OG : rot 100:sc= 0.0834 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 75 GLN : amide:sc= -0.0847 X(o=-0.085,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot -140:sc= 1.07 USER MOD Single : A 89 ASN : amide:sc= 0.178 X(o=0.18,f=-0.13) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= 0.693 K(o=0.69,f=0) USER MOD Single : A 108 THR OG1 : rot 18:sc= 0.867 USER MOD Single : A 122 CYS SG : rot 164:sc= -2.63! USER MOD Single : A 127 GLN : amide:sc= 0.835 K(o=0.83,f=-0.069) USER MOD Single : A 128 MET CE :methyl -148:sc= -1.14 (180deg=-1.75) USER MOD Single : A 130 GLN : amide:sc= 0.338 X(o=0.34,f=0) USER MOD Single : A 131 ASN : amide:sc= -0.29 X(o=-0.29,f=-0.067) USER MOD Single : A 139 LYS NZ :NH3+ 179:sc= 1.26 (180deg=1.24) USER MOD Single : A 140 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00535) USER MOD Single : A 144 HIS : no HD1:sc= -0.498 X(o=-0.5,f=-0.99) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.651 -17.104 -10.708 1.00 23.43 N ATOM 2 CA GLY A 1 -5.262 -17.322 -9.388 1.00 22.93 C ATOM 3 C GLY A 1 -6.711 -17.741 -9.524 1.00 22.06 C ATOM 4 O GLY A 1 -6.991 -18.849 -9.985 1.00 22.82 O ATOM 0 H1 GLY A 1 -3.658 -16.818 -10.588 1.00 23.43 H new ATOM 0 H2 GLY A 1 -4.693 -17.985 -11.260 1.00 23.43 H new ATOM 0 H3 GLY A 1 -5.169 -16.355 -11.211 1.00 23.43 H new ATOM 0 HA2 GLY A 1 -4.707 -18.089 -8.848 1.00 22.93 H new ATOM 0 HA3 GLY A 1 -5.198 -16.408 -8.798 1.00 22.93 H new ATOM 10 N SER A 2 -7.652 -16.877 -9.139 1.00 20.65 N ATOM 11 CA SER A 2 -9.095 -17.144 -9.233 1.00 19.90 C ATOM 12 C SER A 2 -9.699 -16.665 -10.556 1.00 18.49 C ATOM 13 O SER A 2 -9.323 -15.619 -11.096 1.00 17.75 O ATOM 14 CB SER A 2 -9.852 -16.549 -8.039 1.00 19.66 C ATOM 15 OG SER A 2 -9.798 -15.137 -8.033 1.00 19.29 O ATOM 0 H SER A 2 -7.435 -15.960 -8.748 1.00 20.65 H new ATOM 0 HA SER A 2 -9.210 -18.228 -9.206 1.00 19.90 H new ATOM 0 HB2 SER A 2 -10.892 -16.873 -8.071 1.00 19.66 H new ATOM 0 HB3 SER A 2 -9.427 -16.933 -7.112 1.00 19.66 H new ATOM 0 HG SER A 2 -10.292 -14.794 -7.259 1.00 19.29 H new ATOM 21 N PHE A 3 -10.670 -17.426 -11.065 1.00 18.30 N ATOM 22 CA PHE A 3 -11.518 -17.014 -12.182 1.00 17.11 C ATOM 23 C PHE A 3 -12.604 -16.045 -11.698 1.00 15.36 C ATOM 24 O PHE A 3 -13.301 -16.340 -10.722 1.00 15.41 O ATOM 25 CB PHE A 3 -12.137 -18.253 -12.836 1.00 18.24 C ATOM 26 CG PHE A 3 -13.115 -17.929 -13.948 1.00 18.78 C ATOM 27 CD1 PHE A 3 -12.650 -17.376 -15.158 1.00 19.06 C ATOM 28 CD2 PHE A 3 -14.494 -18.157 -13.769 1.00 19.34 C ATOM 29 CE1 PHE A 3 -13.558 -17.065 -16.185 1.00 19.87 C ATOM 30 CE2 PHE A 3 -15.400 -17.849 -14.798 1.00 20.17 C ATOM 31 CZ PHE A 3 -14.931 -17.309 -16.008 1.00 20.43 C ATOM 0 H PHE A 3 -10.891 -18.356 -10.708 1.00 18.30 H new ATOM 0 HA PHE A 3 -10.913 -16.492 -12.924 1.00 17.11 H new ATOM 0 HB2 PHE A 3 -11.339 -18.879 -13.236 1.00 18.24 H new ATOM 0 HB3 PHE A 3 -12.649 -18.839 -12.073 1.00 18.24 H new ATOM 0 HD1 PHE A 3 -11.595 -17.191 -15.296 1.00 19.06 H new ATOM 0 HD2 PHE A 3 -14.855 -18.569 -12.839 1.00 19.34 H new ATOM 0 HE1 PHE A 3 -13.201 -16.638 -17.111 1.00 19.87 H new ATOM 0 HE2 PHE A 3 -16.456 -18.027 -14.659 1.00 20.17 H new ATOM 0 HZ PHE A 3 -15.626 -17.081 -16.803 1.00 20.43 H new ATOM 41 N THR A 4 -12.750 -14.905 -12.375 1.00 14.05 N ATOM 42 CA THR A 4 -13.714 -13.842 -12.034 1.00 12.65 C ATOM 43 C THR A 4 -14.321 -13.184 -13.281 1.00 11.38 C ATOM 44 O THR A 4 -13.853 -13.390 -14.407 1.00 11.39 O ATOM 45 CB THR A 4 -13.069 -12.758 -11.144 1.00 12.03 C ATOM 46 OG1 THR A 4 -11.989 -12.133 -11.807 1.00 11.47 O ATOM 47 CG2 THR A 4 -12.533 -13.307 -9.823 1.00 13.47 C ATOM 0 H THR A 4 -12.189 -14.684 -13.198 1.00 14.05 H new ATOM 0 HA THR A 4 -14.516 -14.329 -11.480 1.00 12.65 H new ATOM 0 HB THR A 4 -13.869 -12.048 -10.936 1.00 12.03 H new ATOM 0 HG1 THR A 4 -11.598 -11.449 -11.223 1.00 11.47 H new ATOM 0 HG21 THR A 4 -12.092 -12.496 -9.244 1.00 13.47 H new ATOM 0 HG22 THR A 4 -13.350 -13.755 -9.257 1.00 13.47 H new ATOM 0 HG23 THR A 4 -11.774 -14.063 -10.024 1.00 13.47 H new ATOM 55 N MET A 5 -15.364 -12.375 -13.087 1.00 10.67 N ATOM 56 CA MET A 5 -15.934 -11.457 -14.085 1.00 9.65 C ATOM 57 C MET A 5 -14.968 -10.323 -14.491 1.00 8.12 C ATOM 58 O MET A 5 -13.865 -10.191 -13.946 1.00 7.83 O ATOM 59 CB MET A 5 -17.301 -10.940 -13.590 1.00 10.07 C ATOM 60 CG MET A 5 -17.299 -10.243 -12.229 1.00 10.29 C ATOM 61 SD MET A 5 -16.346 -8.710 -12.092 1.00 9.51 S ATOM 62 CE MET A 5 -16.658 -8.425 -10.338 1.00 10.76 C ATOM 0 H MET A 5 -15.858 -12.337 -12.195 1.00 10.67 H new ATOM 0 HA MET A 5 -16.093 -12.015 -15.008 1.00 9.65 H new ATOM 0 HB2 MET A 5 -17.695 -10.245 -14.332 1.00 10.07 H new ATOM 0 HB3 MET A 5 -17.991 -11.782 -13.544 1.00 10.07 H new ATOM 0 HG2 MET A 5 -18.332 -10.025 -11.959 1.00 10.29 H new ATOM 0 HG3 MET A 5 -16.917 -10.946 -11.489 1.00 10.29 H new ATOM 0 HE1 MET A 5 -16.156 -7.510 -10.023 1.00 10.76 H new ATOM 0 HE2 MET A 5 -17.731 -8.326 -10.171 1.00 10.76 H new ATOM 0 HE3 MET A 5 -16.277 -9.266 -9.759 1.00 10.76 H new ATOM 72 N GLY A 35 -15.379 -9.511 -15.467 1.00 7.62 N ATOM 73 CA GLY A 35 -14.600 -8.409 -16.042 1.00 6.68 C ATOM 74 C GLY A 35 -13.594 -8.870 -17.100 1.00 6.00 C ATOM 75 O GLY A 35 -13.138 -10.020 -17.089 1.00 6.29 O ATOM 0 H GLY A 35 -16.299 -9.606 -15.896 1.00 7.62 H new ATOM 0 HA2 GLY A 35 -15.282 -7.685 -16.489 1.00 6.68 H new ATOM 0 HA3 GLY A 35 -14.067 -7.894 -15.243 1.00 6.68 H new ATOM 79 N ALA A 36 -13.242 -7.976 -18.026 1.00 5.83 N ATOM 80 CA ALA A 36 -12.284 -8.241 -19.100 1.00 5.66 C ATOM 81 C ALA A 36 -10.834 -7.910 -18.697 1.00 4.66 C ATOM 82 O ALA A 36 -10.577 -7.067 -17.829 1.00 4.89 O ATOM 83 CB ALA A 36 -12.726 -7.477 -20.352 1.00 7.02 C ATOM 0 H ALA A 36 -13.622 -7.030 -18.050 1.00 5.83 H new ATOM 0 HA ALA A 36 -12.281 -9.310 -19.313 1.00 5.66 H new ATOM 0 HB1 ALA A 36 -12.020 -7.665 -21.161 1.00 7.02 H new ATOM 0 HB2 ALA A 36 -13.719 -7.812 -20.651 1.00 7.02 H new ATOM 0 HB3 ALA A 36 -12.753 -6.409 -20.136 1.00 7.02 H new ATOM 89 N GLY A 37 -9.872 -8.554 -19.361 1.00 4.37 N ATOM 90 CA GLY A 37 -8.438 -8.330 -19.155 1.00 3.92 C ATOM 91 C GLY A 37 -7.793 -9.167 -18.049 1.00 3.03 C ATOM 92 O GLY A 37 -6.696 -8.841 -17.604 1.00 3.40 O ATOM 0 H GLY A 37 -10.071 -9.259 -20.071 1.00 4.37 H new ATOM 0 HA2 GLY A 37 -7.918 -8.534 -20.091 1.00 3.92 H new ATOM 0 HA3 GLY A 37 -8.282 -7.276 -18.927 1.00 3.92 H new ATOM 96 N GLY A 38 -8.443 -10.248 -17.615 1.00 3.37 N ATOM 97 CA GLY A 38 -7.819 -11.232 -16.723 1.00 3.77 C ATOM 98 C GLY A 38 -6.633 -11.922 -17.411 1.00 3.28 C ATOM 99 O GLY A 38 -6.712 -12.225 -18.607 1.00 3.94 O ATOM 0 H GLY A 38 -9.407 -10.467 -17.867 1.00 3.37 H new ATOM 0 HA2 GLY A 38 -7.479 -10.739 -15.812 1.00 3.77 H new ATOM 0 HA3 GLY A 38 -8.556 -11.978 -16.426 1.00 3.77 H new ATOM 103 N GLY A 39 -5.534 -12.157 -16.686 1.00 3.20 N ATOM 104 CA GLY A 39 -4.315 -12.782 -17.227 1.00 2.96 C ATOM 105 C GLY A 39 -3.209 -11.798 -17.635 1.00 2.80 C ATOM 106 O GLY A 39 -2.508 -12.020 -18.628 1.00 3.29 O ATOM 0 H GLY A 39 -5.462 -11.918 -15.697 1.00 3.20 H new ATOM 0 HA2 GLY A 39 -3.914 -13.467 -16.480 1.00 2.96 H new ATOM 0 HA3 GLY A 39 -4.587 -13.381 -18.096 1.00 2.96 H new ATOM 110 N GLY A 40 -3.053 -10.709 -16.878 1.00 2.51 N ATOM 111 CA GLY A 40 -1.939 -9.765 -16.969 1.00 2.39 C ATOM 112 C GLY A 40 -2.238 -8.469 -17.722 1.00 2.33 C ATOM 113 O GLY A 40 -3.361 -8.199 -18.147 1.00 3.55 O ATOM 0 H GLY A 40 -3.727 -10.452 -16.157 1.00 2.51 H new ATOM 0 HA2 GLY A 40 -1.616 -9.512 -15.959 1.00 2.39 H new ATOM 0 HA3 GLY A 40 -1.101 -10.264 -17.457 1.00 2.39 H new ATOM 117 N SER A 41 -1.184 -7.668 -17.871 1.00 1.21 N ATOM 118 CA SER A 41 -1.173 -6.267 -18.303 1.00 0.99 C ATOM 119 C SER A 41 -1.848 -5.306 -17.305 1.00 0.79 C ATOM 120 O SER A 41 -2.372 -5.708 -16.265 1.00 0.67 O ATOM 121 CB SER A 41 -1.765 -6.191 -19.707 1.00 1.28 C ATOM 122 OG SER A 41 -1.435 -4.989 -20.370 1.00 2.17 O ATOM 0 H SER A 41 -0.241 -8.006 -17.678 1.00 1.21 H new ATOM 0 HA SER A 41 -0.141 -5.918 -18.330 1.00 0.99 H new ATOM 0 HB2 SER A 41 -1.407 -7.036 -20.295 1.00 1.28 H new ATOM 0 HB3 SER A 41 -2.849 -6.282 -19.646 1.00 1.28 H new ATOM 0 HG SER A 41 -1.835 -4.988 -21.265 1.00 2.17 H new ATOM 128 N ALA A 42 -1.822 -4.006 -17.594 1.00 0.77 N ATOM 129 CA ALA A 42 -2.322 -2.956 -16.701 1.00 0.67 C ATOM 130 C ALA A 42 -3.815 -3.131 -16.338 1.00 0.61 C ATOM 131 O ALA A 42 -4.201 -2.932 -15.188 1.00 0.59 O ATOM 132 CB ALA A 42 -2.028 -1.609 -17.371 1.00 0.77 C ATOM 0 H ALA A 42 -1.447 -3.644 -18.471 1.00 0.77 H new ATOM 0 HA ALA A 42 -1.810 -3.015 -15.741 1.00 0.67 H new ATOM 0 HB1 ALA A 42 -2.387 -0.800 -16.735 1.00 0.77 H new ATOM 0 HB2 ALA A 42 -0.953 -1.504 -17.521 1.00 0.77 H new ATOM 0 HB3 ALA A 42 -2.535 -1.564 -18.335 1.00 0.77 H new ATOM 138 N GLU A 43 -4.631 -3.610 -17.281 1.00 0.64 N ATOM 139 CA GLU A 43 -6.043 -3.990 -17.087 1.00 0.64 C ATOM 140 C GLU A 43 -6.280 -5.107 -16.040 1.00 0.59 C ATOM 141 O GLU A 43 -7.389 -5.220 -15.502 1.00 0.67 O ATOM 142 CB GLU A 43 -6.651 -4.356 -18.457 1.00 0.73 C ATOM 143 CG GLU A 43 -5.955 -5.557 -19.119 1.00 0.78 C ATOM 144 CD GLU A 43 -6.380 -5.815 -20.570 1.00 1.59 C ATOM 145 OE1 GLU A 43 -7.514 -5.479 -20.994 1.00 2.62 O ATOM 146 OE2 GLU A 43 -5.551 -6.393 -21.316 1.00 2.32 O ATOM 0 H GLU A 43 -4.318 -3.751 -18.242 1.00 0.64 H new ATOM 0 HA GLU A 43 -6.550 -3.124 -16.662 1.00 0.64 H new ATOM 0 HB2 GLU A 43 -7.710 -4.581 -18.330 1.00 0.73 H new ATOM 0 HB3 GLU A 43 -6.585 -3.493 -19.120 1.00 0.73 H new ATOM 0 HG2 GLU A 43 -4.877 -5.397 -19.092 1.00 0.78 H new ATOM 0 HG3 GLU A 43 -6.159 -6.450 -18.529 1.00 0.78 H new ATOM 153 N GLN A 44 -5.261 -5.919 -15.729 1.00 0.55 N ATOM 154 CA GLN A 44 -5.270 -6.902 -14.637 1.00 0.56 C ATOM 155 C GLN A 44 -4.823 -6.288 -13.311 1.00 0.47 C ATOM 156 O GLN A 44 -5.500 -6.464 -12.304 1.00 0.46 O ATOM 157 CB GLN A 44 -4.339 -8.065 -14.992 1.00 0.66 C ATOM 158 CG GLN A 44 -4.099 -9.085 -13.867 1.00 0.81 C ATOM 159 CD GLN A 44 -5.354 -9.850 -13.458 1.00 1.04 C ATOM 160 OE1 GLN A 44 -5.673 -10.906 -13.991 1.00 1.48 O ATOM 161 NE2 GLN A 44 -6.109 -9.327 -12.516 1.00 1.00 N ATOM 0 H GLN A 44 -4.381 -5.910 -16.245 1.00 0.55 H new ATOM 0 HA GLN A 44 -6.294 -7.254 -14.516 1.00 0.56 H new ATOM 0 HB2 GLN A 44 -4.753 -8.590 -15.853 1.00 0.66 H new ATOM 0 HB3 GLN A 44 -3.377 -7.657 -15.300 1.00 0.66 H new ATOM 0 HG2 GLN A 44 -3.339 -9.797 -14.189 1.00 0.81 H new ATOM 0 HG3 GLN A 44 -3.700 -8.565 -12.996 1.00 0.81 H new ATOM 0 HE21 GLN A 44 -5.839 -8.448 -12.075 1.00 1.00 H new ATOM 0 HE22 GLN A 44 -6.964 -9.801 -12.226 1.00 1.00 H new ATOM 170 N LEU A 45 -3.678 -5.601 -13.283 1.00 0.42 N ATOM 171 CA LEU A 45 -3.153 -4.905 -12.097 1.00 0.35 C ATOM 172 C LEU A 45 -4.167 -3.913 -11.503 1.00 0.32 C ATOM 173 O LEU A 45 -4.300 -3.821 -10.283 1.00 0.32 O ATOM 174 CB LEU A 45 -1.890 -4.160 -12.532 1.00 0.37 C ATOM 175 CG LEU A 45 -0.583 -4.975 -12.577 1.00 0.39 C ATOM 176 CD1 LEU A 45 0.047 -5.071 -11.185 1.00 0.35 C ATOM 177 CD2 LEU A 45 -0.688 -6.394 -13.140 1.00 0.50 C ATOM 0 H LEU A 45 -3.074 -5.509 -14.100 1.00 0.42 H new ATOM 0 HA LEU A 45 -2.942 -5.636 -11.316 1.00 0.35 H new ATOM 0 HB2 LEU A 45 -2.066 -3.745 -13.524 1.00 0.37 H new ATOM 0 HB3 LEU A 45 -1.742 -3.318 -11.856 1.00 0.37 H new ATOM 0 HG LEU A 45 0.035 -4.411 -13.275 1.00 0.39 H new ATOM 0 HD11 LEU A 45 0.968 -5.651 -11.242 1.00 0.35 H new ATOM 0 HD12 LEU A 45 0.270 -4.070 -10.817 1.00 0.35 H new ATOM 0 HD13 LEU A 45 -0.649 -5.561 -10.504 1.00 0.35 H new ATOM 0 HD21 LEU A 45 0.294 -6.867 -13.121 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -1.383 -6.975 -12.534 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -1.050 -6.352 -14.167 1.00 0.50 H new ATOM 189 N ASP A 46 -4.942 -3.241 -12.355 1.00 0.34 N ATOM 190 CA ASP A 46 -6.030 -2.351 -11.925 1.00 0.37 C ATOM 191 C ASP A 46 -7.143 -3.142 -11.198 1.00 0.37 C ATOM 192 O ASP A 46 -7.655 -2.750 -10.149 1.00 0.38 O ATOM 193 CB ASP A 46 -6.594 -1.655 -13.172 1.00 0.51 C ATOM 194 CG ASP A 46 -7.588 -0.532 -12.863 1.00 0.85 C ATOM 195 OD1 ASP A 46 -7.256 0.408 -12.101 1.00 2.00 O ATOM 196 OD2 ASP A 46 -8.689 -0.532 -13.466 1.00 1.49 O ATOM 0 H ASP A 46 -4.835 -3.296 -13.368 1.00 0.34 H new ATOM 0 HA ASP A 46 -5.645 -1.614 -11.220 1.00 0.37 H new ATOM 0 HB2 ASP A 46 -5.767 -1.245 -13.752 1.00 0.51 H new ATOM 0 HB3 ASP A 46 -7.085 -2.399 -13.799 1.00 0.51 H new ATOM 201 N ALA A 47 -7.459 -4.333 -11.709 1.00 0.40 N ATOM 202 CA ALA A 47 -8.474 -5.207 -11.126 1.00 0.47 C ATOM 203 C ALA A 47 -7.950 -5.847 -9.836 1.00 0.47 C ATOM 204 O ALA A 47 -8.729 -6.035 -8.904 1.00 0.58 O ATOM 205 CB ALA A 47 -8.892 -6.261 -12.157 1.00 0.59 C ATOM 0 H ALA A 47 -7.015 -4.719 -12.543 1.00 0.40 H new ATOM 0 HA ALA A 47 -9.355 -4.622 -10.861 1.00 0.47 H new ATOM 0 HB1 ALA A 47 -9.649 -6.914 -11.723 1.00 0.59 H new ATOM 0 HB2 ALA A 47 -9.301 -5.766 -13.038 1.00 0.59 H new ATOM 0 HB3 ALA A 47 -8.023 -6.854 -12.444 1.00 0.59 H new ATOM 211 N LEU A 48 -6.635 -6.101 -9.766 1.00 0.44 N ATOM 212 CA LEU A 48 -5.896 -6.555 -8.587 1.00 0.48 C ATOM 213 C LEU A 48 -5.990 -5.525 -7.447 1.00 0.51 C ATOM 214 O LEU A 48 -6.319 -5.889 -6.318 1.00 0.57 O ATOM 215 CB LEU A 48 -4.424 -6.809 -8.990 1.00 0.43 C ATOM 216 CG LEU A 48 -3.884 -8.254 -9.136 1.00 0.53 C ATOM 217 CD1 LEU A 48 -2.397 -8.288 -8.777 1.00 1.10 C ATOM 218 CD2 LEU A 48 -4.648 -9.374 -8.436 1.00 2.03 C ATOM 0 H LEU A 48 -6.028 -5.988 -10.578 1.00 0.44 H new ATOM 0 HA LEU A 48 -6.334 -7.482 -8.217 1.00 0.48 H new ATOM 0 HB2 LEU A 48 -4.261 -6.307 -9.944 1.00 0.43 H new ATOM 0 HB3 LEU A 48 -3.798 -6.305 -8.254 1.00 0.43 H new ATOM 0 HG LEU A 48 -4.048 -8.489 -10.188 1.00 0.53 H new ATOM 0 HD11 LEU A 48 -2.021 -9.306 -8.881 1.00 1.10 H new ATOM 0 HD12 LEU A 48 -1.846 -7.627 -9.446 1.00 1.10 H new ATOM 0 HD13 LEU A 48 -2.263 -7.955 -7.748 1.00 1.10 H new ATOM 0 HD21 LEU A 48 -4.154 -10.326 -8.627 1.00 2.03 H new ATOM 0 HD22 LEU A 48 -4.668 -9.185 -7.363 1.00 2.03 H new ATOM 0 HD23 LEU A 48 -5.668 -9.412 -8.817 1.00 2.03 H new ATOM 230 N VAL A 49 -5.771 -4.233 -7.710 1.00 0.47 N ATOM 231 CA VAL A 49 -5.984 -3.202 -6.673 1.00 0.48 C ATOM 232 C VAL A 49 -7.454 -3.011 -6.323 1.00 0.48 C ATOM 233 O VAL A 49 -7.767 -2.696 -5.179 1.00 0.67 O ATOM 234 CB VAL A 49 -5.330 -1.853 -7.008 1.00 0.49 C ATOM 235 CG1 VAL A 49 -3.824 -1.972 -7.126 1.00 0.57 C ATOM 236 CG2 VAL A 49 -5.793 -1.217 -8.310 1.00 0.43 C ATOM 0 H VAL A 49 -5.453 -3.875 -8.610 1.00 0.47 H new ATOM 0 HA VAL A 49 -5.478 -3.593 -5.790 1.00 0.48 H new ATOM 0 HB VAL A 49 -5.638 -1.224 -6.173 1.00 0.49 H new ATOM 0 HG11 VAL A 49 -3.399 -0.997 -7.364 1.00 0.57 H new ATOM 0 HG12 VAL A 49 -3.412 -2.327 -6.181 1.00 0.57 H new ATOM 0 HG13 VAL A 49 -3.576 -2.678 -7.918 1.00 0.57 H new ATOM 0 HG21 VAL A 49 -5.274 -0.270 -8.457 1.00 0.43 H new ATOM 0 HG22 VAL A 49 -5.570 -1.886 -9.141 1.00 0.43 H new ATOM 0 HG23 VAL A 49 -6.868 -1.039 -8.266 1.00 0.43 H new ATOM 246 N LYS A 50 -8.370 -3.272 -7.257 1.00 0.40 N ATOM 247 CA LYS A 50 -9.812 -3.186 -7.039 1.00 0.43 C ATOM 248 C LYS A 50 -10.469 -4.347 -6.286 1.00 0.55 C ATOM 249 O LYS A 50 -11.674 -4.286 -6.029 1.00 0.67 O ATOM 250 CB LYS A 50 -10.406 -2.894 -8.415 1.00 0.42 C ATOM 251 CG LYS A 50 -10.175 -1.421 -8.791 1.00 1.18 C ATOM 252 CD LYS A 50 -10.782 -0.383 -7.834 1.00 0.67 C ATOM 253 CE LYS A 50 -12.260 -0.702 -7.562 1.00 1.42 C ATOM 254 NZ LYS A 50 -12.844 0.191 -6.544 1.00 2.50 N ATOM 0 H LYS A 50 -8.123 -3.555 -8.205 1.00 0.40 H new ATOM 0 HA LYS A 50 -10.027 -2.389 -6.327 1.00 0.43 H new ATOM 0 HB2 LYS A 50 -9.949 -3.544 -9.162 1.00 0.42 H new ATOM 0 HB3 LYS A 50 -11.474 -3.113 -8.412 1.00 0.42 H new ATOM 0 HG2 LYS A 50 -9.101 -1.246 -8.853 1.00 1.18 H new ATOM 0 HG3 LYS A 50 -10.584 -1.252 -9.787 1.00 1.18 H new ATOM 0 HD2 LYS A 50 -10.227 -0.376 -6.896 1.00 0.67 H new ATOM 0 HD3 LYS A 50 -10.692 0.614 -8.265 1.00 0.67 H new ATOM 0 HE2 LYS A 50 -12.826 -0.612 -8.489 1.00 1.42 H new ATOM 0 HE3 LYS A 50 -12.352 -1.737 -7.231 1.00 1.42 H new ATOM 0 HZ1 LYS A 50 -13.627 -0.296 -6.064 1.00 2.50 H new ATOM 0 HZ2 LYS A 50 -12.116 0.446 -5.847 1.00 2.50 H new ATOM 0 HZ3 LYS A 50 -13.201 1.053 -7.003 1.00 2.50 H new ATOM 268 N LYS A 51 -9.676 -5.326 -5.834 1.00 0.57 N ATOM 269 CA LYS A 51 -10.098 -6.389 -4.901 1.00 0.68 C ATOM 270 C LYS A 51 -10.610 -5.827 -3.574 1.00 0.87 C ATOM 271 O LYS A 51 -11.605 -6.314 -3.040 1.00 1.18 O ATOM 272 CB LYS A 51 -8.938 -7.368 -4.637 1.00 0.78 C ATOM 273 CG LYS A 51 -8.950 -8.657 -5.476 1.00 0.84 C ATOM 274 CD LYS A 51 -8.915 -8.378 -6.979 1.00 1.20 C ATOM 275 CE LYS A 51 -8.459 -9.567 -7.832 1.00 0.95 C ATOM 276 NZ LYS A 51 -9.434 -10.677 -7.837 1.00 1.44 N ATOM 0 H LYS A 51 -8.698 -5.407 -6.111 1.00 0.57 H new ATOM 0 HA LYS A 51 -10.923 -6.919 -5.378 1.00 0.68 H new ATOM 0 HB2 LYS A 51 -7.998 -6.847 -4.819 1.00 0.78 H new ATOM 0 HB3 LYS A 51 -8.951 -7.643 -3.582 1.00 0.78 H new ATOM 0 HG2 LYS A 51 -8.092 -9.272 -5.204 1.00 0.84 H new ATOM 0 HG3 LYS A 51 -9.844 -9.234 -5.238 1.00 0.84 H new ATOM 0 HD2 LYS A 51 -9.910 -8.074 -7.303 1.00 1.20 H new ATOM 0 HD3 LYS A 51 -8.248 -7.536 -7.165 1.00 1.20 H new ATOM 0 HE2 LYS A 51 -8.293 -9.231 -8.856 1.00 0.95 H new ATOM 0 HE3 LYS A 51 -7.503 -9.931 -7.457 1.00 0.95 H new ATOM 0 HZ1 LYS A 51 -9.074 -11.453 -8.429 1.00 1.44 H new ATOM 0 HZ2 LYS A 51 -9.575 -11.020 -6.865 1.00 1.44 H new ATOM 0 HZ3 LYS A 51 -10.340 -10.341 -8.220 1.00 1.44 H new ATOM 290 N ASP A 52 -9.941 -4.813 -3.033 1.00 0.74 N ATOM 291 CA ASP A 52 -10.254 -4.270 -1.708 1.00 0.70 C ATOM 292 C ASP A 52 -10.137 -2.751 -1.692 1.00 0.59 C ATOM 293 O ASP A 52 -9.639 -2.126 -2.632 1.00 0.51 O ATOM 294 CB ASP A 52 -9.326 -4.909 -0.659 1.00 0.73 C ATOM 295 CG ASP A 52 -10.003 -5.086 0.701 1.00 0.80 C ATOM 296 OD1 ASP A 52 -10.187 -4.074 1.411 1.00 1.82 O ATOM 297 OD2 ASP A 52 -10.390 -6.227 1.055 1.00 1.64 O ATOM 0 H ASP A 52 -9.165 -4.342 -3.499 1.00 0.74 H new ATOM 0 HA ASP A 52 -11.287 -4.515 -1.463 1.00 0.70 H new ATOM 0 HB2 ASP A 52 -8.990 -5.880 -1.022 1.00 0.73 H new ATOM 0 HB3 ASP A 52 -8.438 -4.288 -0.540 1.00 0.73 H new ATOM 302 N LYS A 53 -10.551 -2.152 -0.579 1.00 0.65 N ATOM 303 CA LYS A 53 -10.294 -0.735 -0.322 1.00 0.54 C ATOM 304 C LYS A 53 -8.873 -0.468 0.124 1.00 0.42 C ATOM 305 O LYS A 53 -8.414 0.653 -0.054 1.00 0.34 O ATOM 306 CB LYS A 53 -11.294 -0.070 0.623 1.00 0.59 C ATOM 307 CG LYS A 53 -12.393 -0.925 1.252 1.00 1.05 C ATOM 308 CD LYS A 53 -12.015 -1.416 2.653 1.00 1.06 C ATOM 309 CE LYS A 53 -13.175 -2.206 3.279 1.00 1.49 C ATOM 310 NZ LYS A 53 -12.843 -2.700 4.637 1.00 2.43 N ATOM 0 H LYS A 53 -11.067 -2.626 0.162 1.00 0.65 H new ATOM 0 HA LYS A 53 -10.438 -0.264 -1.295 1.00 0.54 H new ATOM 0 HB2 LYS A 53 -10.728 0.388 1.434 1.00 0.59 H new ATOM 0 HB3 LYS A 53 -11.778 0.739 0.076 1.00 0.59 H new ATOM 0 HG2 LYS A 53 -13.314 -0.345 1.309 1.00 1.05 H new ATOM 0 HG3 LYS A 53 -12.595 -1.783 0.611 1.00 1.05 H new ATOM 0 HD2 LYS A 53 -11.127 -2.046 2.597 1.00 1.06 H new ATOM 0 HD3 LYS A 53 -11.763 -0.566 3.287 1.00 1.06 H new ATOM 0 HE2 LYS A 53 -14.060 -1.571 3.331 1.00 1.49 H new ATOM 0 HE3 LYS A 53 -13.426 -3.051 2.637 1.00 1.49 H new ATOM 0 HZ1 LYS A 53 -13.653 -3.227 5.022 1.00 2.43 H new ATOM 0 HZ2 LYS A 53 -12.015 -3.327 4.586 1.00 2.43 H new ATOM 0 HZ3 LYS A 53 -12.629 -1.893 5.257 1.00 2.43 H new ATOM 324 N VAL A 54 -8.190 -1.470 0.670 1.00 0.52 N ATOM 325 CA VAL A 54 -6.802 -1.385 1.111 1.00 0.55 C ATOM 326 C VAL A 54 -6.050 -2.570 0.535 1.00 0.65 C ATOM 327 O VAL A 54 -6.276 -3.728 0.871 1.00 0.96 O ATOM 328 CB VAL A 54 -6.655 -1.347 2.646 1.00 0.56 C ATOM 329 CG1 VAL A 54 -5.769 -0.191 3.080 1.00 0.59 C ATOM 330 CG2 VAL A 54 -7.975 -1.278 3.400 1.00 0.72 C ATOM 0 H VAL A 54 -8.600 -2.391 0.822 1.00 0.52 H new ATOM 0 HA VAL A 54 -6.386 -0.445 0.750 1.00 0.55 H new ATOM 0 HB VAL A 54 -6.192 -2.299 2.907 1.00 0.56 H new ATOM 0 HG11 VAL A 54 -5.682 -0.187 4.167 1.00 0.59 H new ATOM 0 HG12 VAL A 54 -4.780 -0.305 2.637 1.00 0.59 H new ATOM 0 HG13 VAL A 54 -6.209 0.749 2.748 1.00 0.59 H new ATOM 0 HG21 VAL A 54 -7.781 -1.255 4.472 1.00 0.72 H new ATOM 0 HG22 VAL A 54 -8.513 -0.376 3.109 1.00 0.72 H new ATOM 0 HG23 VAL A 54 -8.578 -2.154 3.159 1.00 0.72 H new ATOM 340 N VAL A 55 -5.132 -2.263 -0.353 1.00 0.47 N ATOM 341 CA VAL A 55 -4.257 -3.239 -1.010 1.00 0.40 C ATOM 342 C VAL A 55 -2.825 -2.720 -0.974 1.00 0.31 C ATOM 343 O VAL A 55 -2.509 -1.637 -1.467 1.00 0.36 O ATOM 344 CB VAL A 55 -4.698 -3.523 -2.451 1.00 0.39 C ATOM 345 CG1 VAL A 55 -5.775 -4.599 -2.556 1.00 1.50 C ATOM 346 CG2 VAL A 55 -5.303 -2.287 -3.075 1.00 1.28 C ATOM 0 H VAL A 55 -4.959 -1.304 -0.655 1.00 0.47 H new ATOM 0 HA VAL A 55 -4.321 -4.184 -0.471 1.00 0.40 H new ATOM 0 HB VAL A 55 -3.791 -3.853 -2.958 1.00 0.39 H new ATOM 0 HG11 VAL A 55 -6.039 -4.748 -3.603 1.00 1.50 H new ATOM 0 HG12 VAL A 55 -5.398 -5.533 -2.140 1.00 1.50 H new ATOM 0 HG13 VAL A 55 -6.658 -4.285 -2.000 1.00 1.50 H new ATOM 0 HG21 VAL A 55 -5.610 -2.508 -4.097 1.00 1.28 H new ATOM 0 HG22 VAL A 55 -6.171 -1.975 -2.495 1.00 1.28 H new ATOM 0 HG23 VAL A 55 -4.565 -1.485 -3.083 1.00 1.28 H new ATOM 356 N VAL A 56 -1.966 -3.501 -0.338 1.00 0.24 N ATOM 357 CA VAL A 56 -0.603 -3.137 0.060 1.00 0.22 C ATOM 358 C VAL A 56 0.381 -3.972 -0.724 1.00 0.22 C ATOM 359 O VAL A 56 0.044 -5.060 -1.157 1.00 0.27 O ATOM 360 CB VAL A 56 -0.431 -3.308 1.576 1.00 0.23 C ATOM 361 CG1 VAL A 56 0.909 -2.876 2.115 1.00 0.25 C ATOM 362 CG2 VAL A 56 -1.390 -2.366 2.285 1.00 0.31 C ATOM 0 H VAL A 56 -2.207 -4.455 -0.069 1.00 0.24 H new ATOM 0 HA VAL A 56 -0.412 -2.088 -0.166 1.00 0.22 H new ATOM 0 HB VAL A 56 -0.584 -4.374 1.747 1.00 0.23 H new ATOM 0 HG11 VAL A 56 0.936 -3.034 3.193 1.00 0.25 H new ATOM 0 HG12 VAL A 56 1.697 -3.462 1.642 1.00 0.25 H new ATOM 0 HG13 VAL A 56 1.064 -1.819 1.900 1.00 0.25 H new ATOM 0 HG21 VAL A 56 -1.278 -2.477 3.364 1.00 0.31 H new ATOM 0 HG22 VAL A 56 -1.166 -1.338 2.001 1.00 0.31 H new ATOM 0 HG23 VAL A 56 -2.414 -2.607 2.000 1.00 0.31 H new ATOM 372 N PHE A 57 1.579 -3.465 -0.953 1.00 0.24 N ATOM 373 CA PHE A 57 2.419 -3.944 -2.045 1.00 0.30 C ATOM 374 C PHE A 57 3.871 -3.907 -1.642 1.00 0.29 C ATOM 375 O PHE A 57 4.423 -2.817 -1.488 1.00 0.34 O ATOM 376 CB PHE A 57 2.202 -2.975 -3.195 1.00 0.37 C ATOM 377 CG PHE A 57 1.024 -3.345 -4.055 1.00 0.34 C ATOM 378 CD1 PHE A 57 1.145 -4.354 -5.027 1.00 1.62 C ATOM 379 CD2 PHE A 57 -0.207 -2.716 -3.836 1.00 1.79 C ATOM 380 CE1 PHE A 57 0.030 -4.720 -5.805 1.00 1.66 C ATOM 381 CE2 PHE A 57 -1.327 -3.094 -4.598 1.00 1.75 C ATOM 382 CZ PHE A 57 -1.209 -4.083 -5.600 1.00 0.29 C ATOM 0 H PHE A 57 1.997 -2.719 -0.397 1.00 0.24 H new ATOM 0 HA PHE A 57 2.166 -4.970 -2.313 1.00 0.30 H new ATOM 0 HB2 PHE A 57 2.054 -1.972 -2.796 1.00 0.37 H new ATOM 0 HB3 PHE A 57 3.100 -2.943 -3.812 1.00 0.37 H new ATOM 0 HD1 PHE A 57 2.093 -4.848 -5.177 1.00 1.62 H new ATOM 0 HD2 PHE A 57 -0.296 -1.944 -3.086 1.00 1.79 H new ATOM 0 HE1 PHE A 57 0.125 -5.488 -6.558 1.00 1.66 H new ATOM 0 HE2 PHE A 57 -2.283 -2.625 -4.416 1.00 1.75 H new ATOM 0 HZ PHE A 57 -2.063 -4.349 -6.205 1.00 0.29 H new ATOM 392 N LEU A 58 4.480 -5.070 -1.409 1.00 0.29 N ATOM 393 CA LEU A 58 5.834 -5.105 -0.904 1.00 0.29 C ATOM 394 C LEU A 58 6.551 -6.421 -1.282 1.00 0.33 C ATOM 395 O LEU A 58 5.918 -7.472 -1.433 1.00 0.33 O ATOM 396 CB LEU A 58 5.801 -4.730 0.596 1.00 0.29 C ATOM 397 CG LEU A 58 4.483 -4.898 1.418 1.00 0.24 C ATOM 398 CD1 LEU A 58 4.114 -6.310 1.854 1.00 0.27 C ATOM 399 CD2 LEU A 58 4.590 -4.023 2.655 1.00 0.32 C ATOM 0 H LEU A 58 4.056 -5.985 -1.563 1.00 0.29 H new ATOM 0 HA LEU A 58 6.465 -4.358 -1.385 1.00 0.29 H new ATOM 0 HB2 LEU A 58 6.570 -5.320 1.094 1.00 0.29 H new ATOM 0 HB3 LEU A 58 6.100 -3.685 0.675 1.00 0.29 H new ATOM 0 HG LEU A 58 3.684 -4.609 0.735 1.00 0.24 H new ATOM 0 HD11 LEU A 58 3.180 -6.285 2.415 1.00 0.27 H new ATOM 0 HD12 LEU A 58 3.992 -6.942 0.974 1.00 0.27 H new ATOM 0 HD13 LEU A 58 4.905 -6.714 2.485 1.00 0.27 H new ATOM 0 HD21 LEU A 58 3.681 -4.120 3.249 1.00 0.32 H new ATOM 0 HD22 LEU A 58 5.448 -4.337 3.250 1.00 0.32 H new ATOM 0 HD23 LEU A 58 4.717 -2.983 2.355 1.00 0.32 H new ATOM 411 N LYS A 59 7.881 -6.394 -1.473 1.00 0.43 N ATOM 412 CA LYS A 59 8.684 -7.612 -1.740 1.00 0.51 C ATOM 413 C LYS A 59 8.924 -8.368 -0.428 1.00 0.55 C ATOM 414 O LYS A 59 10.057 -8.621 -0.048 1.00 0.64 O ATOM 415 CB LYS A 59 9.994 -7.239 -2.474 1.00 0.60 C ATOM 416 CG LYS A 59 10.802 -6.116 -1.791 1.00 0.64 C ATOM 417 CD LYS A 59 12.328 -6.312 -1.781 1.00 0.76 C ATOM 418 CE LYS A 59 12.817 -6.496 -3.222 1.00 1.05 C ATOM 419 NZ LYS A 59 14.290 -6.422 -3.331 1.00 1.39 N ATOM 0 H LYS A 59 8.432 -5.536 -1.448 1.00 0.43 H new ATOM 0 HA LYS A 59 8.139 -8.284 -2.403 1.00 0.51 H new ATOM 0 HB2 LYS A 59 10.621 -8.128 -2.550 1.00 0.60 H new ATOM 0 HB3 LYS A 59 9.753 -6.931 -3.491 1.00 0.60 H new ATOM 0 HG2 LYS A 59 10.577 -5.174 -2.291 1.00 0.64 H new ATOM 0 HG3 LYS A 59 10.459 -6.020 -0.761 1.00 0.64 H new ATOM 0 HD2 LYS A 59 12.815 -5.450 -1.325 1.00 0.76 H new ATOM 0 HD3 LYS A 59 12.592 -7.182 -1.180 1.00 0.76 H new ATOM 0 HE2 LYS A 59 12.475 -7.460 -3.598 1.00 1.05 H new ATOM 0 HE3 LYS A 59 12.370 -5.730 -3.855 1.00 1.05 H new ATOM 0 HZ1 LYS A 59 14.572 -6.552 -4.324 1.00 1.39 H new ATOM 0 HZ2 LYS A 59 14.617 -5.493 -2.997 1.00 1.39 H new ATOM 0 HZ3 LYS A 59 14.719 -7.169 -2.749 1.00 1.39 H new ATOM 433 N GLY A 60 7.843 -8.801 0.208 1.00 0.53 N ATOM 434 CA GLY A 60 7.808 -9.157 1.626 1.00 0.58 C ATOM 435 C GLY A 60 6.382 -9.338 2.140 1.00 0.63 C ATOM 436 O GLY A 60 5.431 -9.335 1.358 1.00 0.85 O ATOM 0 H GLY A 60 6.943 -8.918 -0.257 1.00 0.53 H new ATOM 0 HA2 GLY A 60 8.368 -10.079 1.781 1.00 0.58 H new ATOM 0 HA3 GLY A 60 8.306 -8.380 2.206 1.00 0.58 H new ATOM 440 N THR A 61 6.220 -9.448 3.453 1.00 0.55 N ATOM 441 CA THR A 61 4.913 -9.663 4.115 1.00 0.54 C ATOM 442 C THR A 61 4.813 -8.874 5.423 1.00 0.43 C ATOM 443 O THR A 61 5.839 -8.516 6.002 1.00 0.48 O ATOM 444 CB THR A 61 4.690 -11.153 4.420 1.00 0.72 C ATOM 445 OG1 THR A 61 5.754 -11.685 5.170 1.00 0.94 O ATOM 446 CG2 THR A 61 4.534 -12.017 3.175 1.00 0.93 C ATOM 0 H THR A 61 6.998 -9.391 4.110 1.00 0.55 H new ATOM 0 HA THR A 61 4.147 -9.311 3.424 1.00 0.54 H new ATOM 0 HB THR A 61 3.757 -11.181 4.983 1.00 0.72 H new ATOM 0 HG1 THR A 61 5.463 -12.511 5.610 1.00 0.94 H new ATOM 0 HG21 THR A 61 4.380 -13.055 3.469 1.00 0.93 H new ATOM 0 HG22 THR A 61 3.676 -11.672 2.598 1.00 0.93 H new ATOM 0 HG23 THR A 61 5.434 -11.942 2.565 1.00 0.93 H new ATOM 454 N PRO A 62 3.597 -8.592 5.926 1.00 0.42 N ATOM 455 CA PRO A 62 3.418 -7.793 7.137 1.00 0.46 C ATOM 456 C PRO A 62 4.002 -8.459 8.393 1.00 0.71 C ATOM 457 O PRO A 62 4.494 -7.749 9.270 1.00 0.90 O ATOM 458 CB PRO A 62 1.907 -7.566 7.259 1.00 0.47 C ATOM 459 CG PRO A 62 1.302 -8.739 6.488 1.00 0.53 C ATOM 460 CD PRO A 62 2.304 -8.937 5.360 1.00 0.49 C ATOM 0 HA PRO A 62 3.964 -6.853 7.060 1.00 0.46 H new ATOM 0 HB2 PRO A 62 1.585 -7.563 8.300 1.00 0.47 H new ATOM 0 HB3 PRO A 62 1.610 -6.609 6.830 1.00 0.47 H new ATOM 0 HG2 PRO A 62 1.208 -9.629 7.110 1.00 0.53 H new ATOM 0 HG3 PRO A 62 0.306 -8.507 6.111 1.00 0.53 H new ATOM 0 HD2 PRO A 62 2.294 -9.967 5.002 1.00 0.49 H new ATOM 0 HD3 PRO A 62 2.066 -8.301 4.507 1.00 0.49 H new ATOM 468 N GLU A 63 4.000 -9.798 8.481 1.00 0.82 N ATOM 469 CA GLU A 63 4.577 -10.518 9.625 1.00 1.08 C ATOM 470 C GLU A 63 6.099 -10.739 9.520 1.00 1.17 C ATOM 471 O GLU A 63 6.748 -11.037 10.528 1.00 1.39 O ATOM 472 CB GLU A 63 3.799 -11.821 9.887 1.00 1.24 C ATOM 473 CG GLU A 63 4.141 -13.024 8.989 1.00 1.87 C ATOM 474 CD GLU A 63 3.790 -12.865 7.506 1.00 2.78 C ATOM 475 OE1 GLU A 63 2.795 -12.180 7.168 1.00 3.58 O ATOM 476 OE2 GLU A 63 4.506 -13.458 6.658 1.00 3.85 O ATOM 0 H GLU A 63 3.602 -10.408 7.767 1.00 0.82 H new ATOM 0 HA GLU A 63 4.462 -9.874 10.497 1.00 1.08 H new ATOM 0 HB2 GLU A 63 3.964 -12.113 10.924 1.00 1.24 H new ATOM 0 HB3 GLU A 63 2.735 -11.609 9.781 1.00 1.24 H new ATOM 0 HG2 GLU A 63 5.209 -13.224 9.072 1.00 1.87 H new ATOM 0 HG3 GLU A 63 3.622 -13.901 9.375 1.00 1.87 H new ATOM 483 N GLN A 64 6.681 -10.567 8.327 1.00 1.08 N ATOM 484 CA GLN A 64 8.115 -10.613 8.062 1.00 1.16 C ATOM 485 C GLN A 64 8.533 -9.474 7.111 1.00 1.30 C ATOM 486 O GLN A 64 8.626 -9.674 5.891 1.00 1.46 O ATOM 487 CB GLN A 64 8.481 -11.976 7.495 1.00 1.20 C ATOM 488 CG GLN A 64 8.560 -13.063 8.568 1.00 1.25 C ATOM 489 CD GLN A 64 8.899 -14.436 8.004 1.00 1.76 C ATOM 490 OE1 GLN A 64 8.505 -14.819 6.905 1.00 2.58 O ATOM 491 NE2 GLN A 64 9.593 -15.241 8.771 1.00 3.01 N ATOM 0 H GLN A 64 6.136 -10.384 7.485 1.00 1.08 H new ATOM 0 HA GLN A 64 8.659 -10.468 8.995 1.00 1.16 H new ATOM 0 HB2 GLN A 64 7.742 -12.263 6.747 1.00 1.20 H new ATOM 0 HB3 GLN A 64 9.441 -11.906 6.984 1.00 1.20 H new ATOM 0 HG2 GLN A 64 9.313 -12.784 9.305 1.00 1.25 H new ATOM 0 HG3 GLN A 64 7.606 -13.118 9.092 1.00 1.25 H new ATOM 0 HE21 GLN A 64 9.919 -14.921 9.683 1.00 3.01 H new ATOM 0 HE22 GLN A 64 9.807 -16.187 8.456 1.00 3.01 H new ATOM 500 N PRO A 65 8.800 -8.277 7.662 1.00 1.59 N ATOM 501 CA PRO A 65 9.300 -7.126 6.919 1.00 1.74 C ATOM 502 C PRO A 65 10.627 -7.478 6.239 1.00 1.39 C ATOM 503 O PRO A 65 11.582 -7.909 6.894 1.00 1.51 O ATOM 504 CB PRO A 65 9.438 -5.994 7.945 1.00 2.23 C ATOM 505 CG PRO A 65 8.540 -6.427 9.104 1.00 3.23 C ATOM 506 CD PRO A 65 8.638 -7.943 9.064 1.00 2.10 C ATOM 0 HA PRO A 65 8.630 -6.819 6.116 1.00 1.74 H new ATOM 0 HB2 PRO A 65 10.472 -5.872 8.267 1.00 2.23 H new ATOM 0 HB3 PRO A 65 9.119 -5.038 7.529 1.00 2.23 H new ATOM 0 HG2 PRO A 65 8.887 -6.025 10.056 1.00 3.23 H new ATOM 0 HG3 PRO A 65 7.514 -6.085 8.969 1.00 3.23 H new ATOM 0 HD2 PRO A 65 9.483 -8.299 9.654 1.00 2.10 H new ATOM 0 HD3 PRO A 65 7.743 -8.407 9.478 1.00 2.10 H new ATOM 514 N GLN A 66 10.678 -7.357 4.913 1.00 1.31 N ATOM 515 CA GLN A 66 11.684 -8.055 4.110 1.00 0.85 C ATOM 516 C GLN A 66 13.102 -7.471 4.204 1.00 0.85 C ATOM 517 O GLN A 66 14.084 -8.169 3.964 1.00 0.97 O ATOM 518 CB GLN A 66 11.218 -8.087 2.656 1.00 0.86 C ATOM 519 CG GLN A 66 11.398 -6.791 1.829 1.00 1.95 C ATOM 520 CD GLN A 66 10.215 -5.833 1.787 1.00 1.02 C ATOM 521 OE1 GLN A 66 9.072 -6.170 2.048 1.00 1.49 O ATOM 522 NE2 GLN A 66 10.419 -4.592 1.398 1.00 1.26 N ATOM 0 H GLN A 66 10.034 -6.782 4.370 1.00 1.31 H new ATOM 0 HA GLN A 66 11.767 -9.061 4.522 1.00 0.85 H new ATOM 0 HB2 GLN A 66 11.752 -8.890 2.147 1.00 0.86 H new ATOM 0 HB3 GLN A 66 10.160 -8.351 2.645 1.00 0.86 H new ATOM 0 HG2 GLN A 66 12.258 -6.252 2.226 1.00 1.95 H new ATOM 0 HG3 GLN A 66 11.643 -7.073 0.805 1.00 1.95 H new ATOM 0 HE21 GLN A 66 11.362 -4.277 1.172 1.00 1.26 H new ATOM 0 HE22 GLN A 66 9.634 -3.945 1.323 1.00 1.26 H new ATOM 531 N CYS A 67 13.196 -6.159 4.427 1.00 0.88 N ATOM 532 CA CYS A 67 14.390 -5.336 4.235 1.00 0.98 C ATOM 533 C CYS A 67 14.162 -3.998 4.985 1.00 1.11 C ATOM 534 O CYS A 67 13.474 -3.975 6.014 1.00 1.79 O ATOM 535 CB CYS A 67 14.631 -5.198 2.703 1.00 1.00 C ATOM 536 SG CYS A 67 16.291 -4.542 2.366 1.00 1.35 S ATOM 0 H CYS A 67 12.401 -5.615 4.763 1.00 0.88 H new ATOM 0 HA CYS A 67 15.298 -5.773 4.650 1.00 0.98 H new ATOM 0 HB2 CYS A 67 14.515 -6.170 2.223 1.00 1.00 H new ATOM 0 HB3 CYS A 67 13.880 -4.537 2.270 1.00 1.00 H new ATOM 0 HG CYS A 67 16.465 -4.440 1.082 1.00 1.35 H new ATOM 542 N GLY A 68 14.683 -2.872 4.492 1.00 1.27 N ATOM 543 CA GLY A 68 14.286 -1.537 4.953 1.00 1.39 C ATOM 544 C GLY A 68 12.861 -1.152 4.532 1.00 1.42 C ATOM 545 O GLY A 68 12.357 -1.627 3.511 1.00 2.26 O ATOM 0 H GLY A 68 15.394 -2.859 3.760 1.00 1.27 H new ATOM 0 HA2 GLY A 68 14.360 -1.498 6.040 1.00 1.39 H new ATOM 0 HA3 GLY A 68 14.986 -0.800 4.559 1.00 1.39 H new ATOM 549 N PHE A 69 12.237 -0.267 5.314 1.00 1.29 N ATOM 550 CA PHE A 69 10.962 0.430 5.057 1.00 1.20 C ATOM 551 C PHE A 69 9.673 -0.392 4.813 1.00 0.98 C ATOM 552 O PHE A 69 8.577 0.168 4.814 1.00 0.87 O ATOM 553 CB PHE A 69 11.151 1.659 4.168 1.00 1.98 C ATOM 554 CG PHE A 69 11.884 1.482 2.875 1.00 0.89 C ATOM 555 CD1 PHE A 69 13.279 1.539 2.819 1.00 2.22 C ATOM 556 CD2 PHE A 69 11.131 1.374 1.712 1.00 1.73 C ATOM 557 CE1 PHE A 69 13.925 1.483 1.568 1.00 2.46 C ATOM 558 CE2 PHE A 69 11.755 1.364 0.458 1.00 2.45 C ATOM 559 CZ PHE A 69 13.160 1.404 0.386 1.00 2.19 C ATOM 0 H PHE A 69 12.635 0.005 6.213 1.00 1.29 H new ATOM 0 HA PHE A 69 10.689 0.781 6.052 1.00 1.20 H new ATOM 0 HB2 PHE A 69 10.164 2.062 3.940 1.00 1.98 H new ATOM 0 HB3 PHE A 69 11.678 2.415 4.750 1.00 1.98 H new ATOM 0 HD1 PHE A 69 13.857 1.625 3.727 1.00 2.22 H new ATOM 0 HD2 PHE A 69 10.056 1.297 1.776 1.00 1.73 H new ATOM 0 HE1 PHE A 69 15.004 1.501 1.515 1.00 2.46 H new ATOM 0 HE2 PHE A 69 11.164 1.326 -0.445 1.00 2.45 H new ATOM 0 HZ PHE A 69 13.652 1.374 -0.575 1.00 2.19 H new ATOM 569 N SER A 70 9.723 -1.721 4.702 1.00 1.07 N ATOM 570 CA SER A 70 8.522 -2.571 4.584 1.00 1.06 C ATOM 571 C SER A 70 7.578 -2.564 5.782 1.00 0.90 C ATOM 572 O SER A 70 6.378 -2.767 5.617 1.00 0.93 O ATOM 573 CB SER A 70 8.892 -4.029 4.326 1.00 1.14 C ATOM 574 OG SER A 70 10.201 -4.391 4.742 1.00 2.60 O ATOM 0 H SER A 70 10.597 -2.246 4.691 1.00 1.07 H new ATOM 0 HA SER A 70 7.995 -2.119 3.744 1.00 1.06 H new ATOM 0 HB2 SER A 70 8.173 -4.668 4.838 1.00 1.14 H new ATOM 0 HB3 SER A 70 8.795 -4.231 3.259 1.00 1.14 H new ATOM 0 HG SER A 70 10.154 -4.850 5.607 1.00 2.60 H new ATOM 580 N ASN A 71 8.098 -2.346 6.981 1.00 0.78 N ATOM 581 CA ASN A 71 7.266 -2.223 8.179 1.00 0.63 C ATOM 582 C ASN A 71 6.675 -0.828 8.322 1.00 0.55 C ATOM 583 O ASN A 71 5.596 -0.701 8.880 1.00 0.53 O ATOM 584 CB ASN A 71 8.122 -2.560 9.400 1.00 0.65 C ATOM 585 CG ASN A 71 7.295 -3.104 10.550 1.00 1.68 C ATOM 586 OD1 ASN A 71 6.523 -4.044 10.407 1.00 2.90 O ATOM 587 ND2 ASN A 71 7.435 -2.527 11.716 1.00 2.16 N ATOM 0 H ASN A 71 9.098 -2.249 7.155 1.00 0.78 H new ATOM 0 HA ASN A 71 6.429 -2.916 8.095 1.00 0.63 H new ATOM 0 HB2 ASN A 71 8.878 -3.294 9.120 1.00 0.65 H new ATOM 0 HB3 ASN A 71 8.652 -1.666 9.728 1.00 0.65 H new ATOM 0 HD21 ASN A 71 6.898 -2.859 12.517 1.00 2.16 H new ATOM 0 HD22 ASN A 71 8.081 -1.745 11.824 1.00 2.16 H new ATOM 594 N ALA A 72 7.326 0.207 7.791 1.00 0.58 N ATOM 595 CA ALA A 72 6.871 1.594 7.932 1.00 0.58 C ATOM 596 C ALA A 72 5.469 1.802 7.351 1.00 0.51 C ATOM 597 O ALA A 72 4.634 2.468 7.961 1.00 0.54 O ATOM 598 CB ALA A 72 7.915 2.533 7.316 1.00 0.72 C ATOM 0 H ALA A 72 8.185 0.109 7.250 1.00 0.58 H new ATOM 0 HA ALA A 72 6.779 1.833 8.992 1.00 0.58 H new ATOM 0 HB1 ALA A 72 7.581 3.566 7.418 1.00 0.72 H new ATOM 0 HB2 ALA A 72 8.867 2.407 7.831 1.00 0.72 H new ATOM 0 HB3 ALA A 72 8.040 2.295 6.260 1.00 0.72 H new ATOM 604 N VAL A 73 5.143 1.135 6.244 1.00 0.47 N ATOM 605 CA VAL A 73 3.804 1.143 5.685 1.00 0.44 C ATOM 606 C VAL A 73 2.776 0.408 6.546 1.00 0.39 C ATOM 607 O VAL A 73 1.646 0.871 6.686 1.00 0.43 O ATOM 608 CB VAL A 73 3.860 0.572 4.267 1.00 0.48 C ATOM 609 CG1 VAL A 73 4.562 1.542 3.323 1.00 0.61 C ATOM 610 CG2 VAL A 73 4.613 -0.739 4.135 1.00 0.52 C ATOM 0 H VAL A 73 5.808 0.573 5.712 1.00 0.47 H new ATOM 0 HA VAL A 73 3.459 2.177 5.659 1.00 0.44 H new ATOM 0 HB VAL A 73 2.812 0.406 4.015 1.00 0.48 H new ATOM 0 HG11 VAL A 73 4.591 1.117 2.320 1.00 0.61 H new ATOM 0 HG12 VAL A 73 4.018 2.486 3.301 1.00 0.61 H new ATOM 0 HG13 VAL A 73 5.579 1.717 3.672 1.00 0.61 H new ATOM 0 HG21 VAL A 73 4.598 -1.064 3.095 1.00 0.52 H new ATOM 0 HG22 VAL A 73 5.645 -0.600 4.457 1.00 0.52 H new ATOM 0 HG23 VAL A 73 4.137 -1.496 4.758 1.00 0.52 H new ATOM 620 N VAL A 74 3.173 -0.704 7.168 1.00 0.38 N ATOM 621 CA VAL A 74 2.306 -1.535 8.016 1.00 0.40 C ATOM 622 C VAL A 74 2.080 -0.887 9.389 1.00 0.38 C ATOM 623 O VAL A 74 0.954 -0.885 9.886 1.00 0.40 O ATOM 624 CB VAL A 74 2.855 -2.973 8.079 1.00 0.46 C ATOM 625 CG1 VAL A 74 2.069 -3.874 9.030 1.00 0.56 C ATOM 626 CG2 VAL A 74 2.763 -3.610 6.680 1.00 0.56 C ATOM 0 H VAL A 74 4.125 -1.062 7.097 1.00 0.38 H new ATOM 0 HA VAL A 74 1.313 -1.602 7.571 1.00 0.40 H new ATOM 0 HB VAL A 74 3.881 -2.896 8.439 1.00 0.46 H new ATOM 0 HG11 VAL A 74 2.506 -4.873 9.029 1.00 0.56 H new ATOM 0 HG12 VAL A 74 2.109 -3.461 10.038 1.00 0.56 H new ATOM 0 HG13 VAL A 74 1.031 -3.931 8.702 1.00 0.56 H new ATOM 0 HG21 VAL A 74 3.150 -4.628 6.718 1.00 0.56 H new ATOM 0 HG22 VAL A 74 1.722 -3.629 6.357 1.00 0.56 H new ATOM 0 HG23 VAL A 74 3.351 -3.024 5.974 1.00 0.56 H new ATOM 636 N GLN A 75 3.104 -0.224 9.933 1.00 0.36 N ATOM 637 CA GLN A 75 3.033 0.684 11.076 1.00 0.37 C ATOM 638 C GLN A 75 2.047 1.820 10.801 1.00 0.36 C ATOM 639 O GLN A 75 1.104 1.999 11.564 1.00 0.40 O ATOM 640 CB GLN A 75 4.428 1.263 11.381 1.00 0.51 C ATOM 641 CG GLN A 75 5.413 0.253 11.988 1.00 0.63 C ATOM 642 CD GLN A 75 5.158 0.023 13.469 1.00 1.07 C ATOM 643 OE1 GLN A 75 5.746 0.663 14.338 1.00 2.42 O ATOM 644 NE2 GLN A 75 4.269 -0.875 13.811 1.00 0.92 N ATOM 0 H GLN A 75 4.052 -0.312 9.568 1.00 0.36 H new ATOM 0 HA GLN A 75 2.683 0.121 11.941 1.00 0.37 H new ATOM 0 HB2 GLN A 75 4.854 1.659 10.459 1.00 0.51 H new ATOM 0 HB3 GLN A 75 4.318 2.103 12.067 1.00 0.51 H new ATOM 0 HG2 GLN A 75 5.333 -0.695 11.456 1.00 0.63 H new ATOM 0 HG3 GLN A 75 6.432 0.613 11.848 1.00 0.63 H new ATOM 0 HE21 GLN A 75 3.779 -1.408 13.092 1.00 0.92 H new ATOM 0 HE22 GLN A 75 4.066 -1.042 14.797 1.00 0.92 H new ATOM 653 N ILE A 76 2.201 2.556 9.694 1.00 0.33 N ATOM 654 CA ILE A 76 1.309 3.682 9.371 1.00 0.34 C ATOM 655 C ILE A 76 -0.147 3.209 9.264 1.00 0.34 C ATOM 656 O ILE A 76 -1.036 3.835 9.840 1.00 0.36 O ATOM 657 CB ILE A 76 1.821 4.400 8.099 1.00 0.37 C ATOM 658 CG1 ILE A 76 3.074 5.222 8.476 1.00 0.40 C ATOM 659 CG2 ILE A 76 0.770 5.322 7.451 1.00 0.45 C ATOM 660 CD1 ILE A 76 3.864 5.723 7.265 1.00 0.42 C ATOM 0 H ILE A 76 2.935 2.394 9.005 1.00 0.33 H new ATOM 0 HA ILE A 76 1.324 4.414 10.179 1.00 0.34 H new ATOM 0 HB ILE A 76 2.053 3.635 7.358 1.00 0.37 H new ATOM 0 HG12 ILE A 76 2.770 6.077 9.080 1.00 0.40 H new ATOM 0 HG13 ILE A 76 3.727 4.609 9.097 1.00 0.40 H new ATOM 0 HG21 ILE A 76 1.196 5.793 6.565 1.00 0.45 H new ATOM 0 HG22 ILE A 76 -0.103 4.735 7.166 1.00 0.45 H new ATOM 0 HG23 ILE A 76 0.473 6.092 8.163 1.00 0.45 H new ATOM 0 HD11 ILE A 76 4.729 6.292 7.605 1.00 0.42 H new ATOM 0 HD12 ILE A 76 4.199 4.872 6.672 1.00 0.42 H new ATOM 0 HD13 ILE A 76 3.227 6.363 6.654 1.00 0.42 H new ATOM 672 N LEU A 77 -0.390 2.074 8.606 1.00 0.33 N ATOM 673 CA LEU A 77 -1.724 1.472 8.509 1.00 0.35 C ATOM 674 C LEU A 77 -2.300 1.089 9.883 1.00 0.38 C ATOM 675 O LEU A 77 -3.366 1.596 10.249 1.00 0.43 O ATOM 676 CB LEU A 77 -1.669 0.293 7.523 1.00 0.36 C ATOM 677 CG LEU A 77 -1.568 0.766 6.060 1.00 0.35 C ATOM 678 CD1 LEU A 77 -1.121 -0.378 5.154 1.00 0.36 C ATOM 679 CD2 LEU A 77 -2.922 1.269 5.552 1.00 0.42 C ATOM 0 H LEU A 77 0.335 1.543 8.123 1.00 0.33 H new ATOM 0 HA LEU A 77 -2.423 2.213 8.120 1.00 0.35 H new ATOM 0 HB2 LEU A 77 -0.812 -0.338 7.760 1.00 0.36 H new ATOM 0 HB3 LEU A 77 -2.561 -0.322 7.644 1.00 0.36 H new ATOM 0 HG LEU A 77 -0.838 1.575 6.033 1.00 0.35 H new ATOM 0 HD11 LEU A 77 -1.056 -0.023 4.125 1.00 0.36 H new ATOM 0 HD12 LEU A 77 -0.144 -0.737 5.477 1.00 0.36 H new ATOM 0 HD13 LEU A 77 -1.844 -1.192 5.212 1.00 0.36 H new ATOM 0 HD21 LEU A 77 -2.823 1.597 4.517 1.00 0.42 H new ATOM 0 HD22 LEU A 77 -3.654 0.464 5.609 1.00 0.42 H new ATOM 0 HD23 LEU A 77 -3.254 2.105 6.168 1.00 0.42 H new ATOM 691 N ARG A 78 -1.603 0.276 10.690 1.00 0.39 N ATOM 692 CA ARG A 78 -2.072 -0.122 12.013 1.00 0.44 C ATOM 693 C ARG A 78 -2.256 1.044 12.990 1.00 0.45 C ATOM 694 O ARG A 78 -3.225 1.032 13.747 1.00 0.51 O ATOM 695 CB ARG A 78 -1.171 -1.250 12.531 1.00 0.50 C ATOM 696 CG ARG A 78 0.073 -0.819 13.328 1.00 0.55 C ATOM 697 CD ARG A 78 0.888 -2.018 13.840 1.00 0.73 C ATOM 698 NE ARG A 78 0.118 -2.884 14.755 1.00 1.66 N ATOM 699 CZ ARG A 78 0.099 -2.861 16.073 1.00 2.60 C ATOM 700 NH1 ARG A 78 0.745 -1.996 16.791 1.00 3.43 N ATOM 701 NH2 ARG A 78 -0.593 -3.727 16.744 1.00 3.64 N ATOM 0 H ARG A 78 -0.698 -0.121 10.438 1.00 0.39 H new ATOM 0 HA ARG A 78 -3.088 -0.506 11.925 1.00 0.44 H new ATOM 0 HB2 ARG A 78 -1.772 -1.905 13.162 1.00 0.50 H new ATOM 0 HB3 ARG A 78 -0.842 -1.844 11.678 1.00 0.50 H new ATOM 0 HG2 ARG A 78 0.707 -0.196 12.697 1.00 0.55 H new ATOM 0 HG3 ARG A 78 -0.236 -0.206 14.174 1.00 0.55 H new ATOM 0 HD2 ARG A 78 1.230 -2.608 12.990 1.00 0.73 H new ATOM 0 HD3 ARG A 78 1.778 -1.654 14.354 1.00 0.73 H new ATOM 0 HE ARG A 78 -0.473 -3.588 14.312 1.00 1.66 H new ATOM 0 HH11 ARG A 78 1.310 -1.278 16.338 1.00 3.43 H new ATOM 0 HH12 ARG A 78 0.688 -2.034 17.809 1.00 3.43 H new ATOM 0 HH21 ARG A 78 -1.133 -4.439 16.253 1.00 3.64 H new ATOM 0 HH22 ARG A 78 -0.598 -3.696 17.764 1.00 3.64 H new ATOM 715 N LEU A 79 -1.419 2.086 12.935 1.00 0.41 N ATOM 716 CA LEU A 79 -1.570 3.312 13.723 1.00 0.44 C ATOM 717 C LEU A 79 -2.865 4.054 13.370 1.00 0.46 C ATOM 718 O LEU A 79 -3.550 4.557 14.259 1.00 0.51 O ATOM 719 CB LEU A 79 -0.367 4.223 13.438 1.00 0.42 C ATOM 720 CG LEU A 79 0.959 3.782 14.082 1.00 0.43 C ATOM 721 CD1 LEU A 79 2.086 4.607 13.458 1.00 0.45 C ATOM 722 CD2 LEU A 79 0.968 4.006 15.596 1.00 0.47 C ATOM 0 H LEU A 79 -0.600 2.100 12.327 1.00 0.41 H new ATOM 0 HA LEU A 79 -1.617 3.046 14.779 1.00 0.44 H new ATOM 0 HB2 LEU A 79 -0.225 4.283 12.359 1.00 0.42 H new ATOM 0 HB3 LEU A 79 -0.604 5.229 13.785 1.00 0.42 H new ATOM 0 HG LEU A 79 1.090 2.715 13.903 1.00 0.43 H new ATOM 0 HD11 LEU A 79 3.039 4.313 13.898 1.00 0.45 H new ATOM 0 HD12 LEU A 79 2.113 4.431 12.383 1.00 0.45 H new ATOM 0 HD13 LEU A 79 1.910 5.666 13.648 1.00 0.45 H new ATOM 0 HD21 LEU A 79 1.924 3.680 16.006 1.00 0.47 H new ATOM 0 HD22 LEU A 79 0.825 5.066 15.808 1.00 0.47 H new ATOM 0 HD23 LEU A 79 0.162 3.432 16.054 1.00 0.47 H new ATOM 734 N HIS A 80 -3.229 4.065 12.085 1.00 0.44 N ATOM 735 CA HIS A 80 -4.487 4.607 11.577 1.00 0.42 C ATOM 736 C HIS A 80 -5.700 3.687 11.813 1.00 0.44 C ATOM 737 O HIS A 80 -6.822 4.058 11.453 1.00 0.45 O ATOM 738 CB HIS A 80 -4.300 4.986 10.098 1.00 0.38 C ATOM 739 CG HIS A 80 -3.664 6.343 9.929 1.00 0.36 C ATOM 740 ND1 HIS A 80 -4.255 7.526 10.284 1.00 0.35 N ATOM 741 CD2 HIS A 80 -2.441 6.660 9.402 1.00 0.40 C ATOM 742 CE1 HIS A 80 -3.441 8.534 9.967 1.00 0.35 C ATOM 743 NE2 HIS A 80 -2.309 8.061 9.412 1.00 0.38 N ATOM 0 H HIS A 80 -2.636 3.684 11.348 1.00 0.44 H new ATOM 0 HA HIS A 80 -4.729 5.503 12.149 1.00 0.42 H new ATOM 0 HB2 HIS A 80 -3.681 4.234 9.608 1.00 0.38 H new ATOM 0 HB3 HIS A 80 -5.268 4.977 9.598 1.00 0.38 H new ATOM 0 HD2 HIS A 80 -1.705 5.957 9.041 1.00 0.40 H new ATOM 0 HE1 HIS A 80 -3.658 9.579 10.132 1.00 0.35 H new ATOM 0 HE2 HIS A 80 -1.518 8.606 9.069 1.00 0.38 H new ATOM 751 N GLY A 81 -5.518 2.531 12.460 1.00 0.47 N ATOM 752 CA GLY A 81 -6.600 1.602 12.786 1.00 0.50 C ATOM 753 C GLY A 81 -6.909 0.580 11.687 1.00 0.53 C ATOM 754 O GLY A 81 -8.048 0.118 11.606 1.00 0.78 O ATOM 0 H GLY A 81 -4.602 2.212 12.775 1.00 0.47 H new ATOM 0 HA2 GLY A 81 -6.341 1.067 13.700 1.00 0.50 H new ATOM 0 HA3 GLY A 81 -7.503 2.175 12.997 1.00 0.50 H new ATOM 758 N VAL A 82 -5.938 0.273 10.813 1.00 0.55 N ATOM 759 CA VAL A 82 -6.131 -0.553 9.606 1.00 0.55 C ATOM 760 C VAL A 82 -5.149 -1.729 9.554 1.00 0.48 C ATOM 761 O VAL A 82 -3.938 -1.535 9.504 1.00 0.46 O ATOM 762 CB VAL A 82 -5.993 0.318 8.335 1.00 0.53 C ATOM 763 CG1 VAL A 82 -6.316 -0.486 7.069 1.00 0.53 C ATOM 764 CG2 VAL A 82 -6.917 1.545 8.357 1.00 0.64 C ATOM 0 H VAL A 82 -4.977 0.597 10.926 1.00 0.55 H new ATOM 0 HA VAL A 82 -7.137 -0.969 9.650 1.00 0.55 H new ATOM 0 HB VAL A 82 -4.955 0.650 8.323 1.00 0.53 H new ATOM 0 HG11 VAL A 82 -6.210 0.155 6.194 1.00 0.53 H new ATOM 0 HG12 VAL A 82 -5.629 -1.328 6.988 1.00 0.53 H new ATOM 0 HG13 VAL A 82 -7.339 -0.857 7.125 1.00 0.53 H new ATOM 0 HG21 VAL A 82 -6.779 2.121 7.442 1.00 0.64 H new ATOM 0 HG22 VAL A 82 -7.954 1.218 8.427 1.00 0.64 H new ATOM 0 HG23 VAL A 82 -6.674 2.168 9.218 1.00 0.64 H new ATOM 774 N ARG A 83 -5.666 -2.964 9.472 1.00 0.56 N ATOM 775 CA ARG A 83 -4.918 -4.206 9.238 1.00 0.65 C ATOM 776 C ARG A 83 -5.580 -5.111 8.192 1.00 0.66 C ATOM 777 O ARG A 83 -5.064 -6.158 7.812 1.00 0.82 O ATOM 778 CB ARG A 83 -4.609 -4.917 10.558 1.00 1.03 C ATOM 779 CG ARG A 83 -5.742 -5.048 11.580 1.00 1.25 C ATOM 780 CD ARG A 83 -6.868 -6.018 11.200 1.00 2.01 C ATOM 781 NE ARG A 83 -6.388 -7.405 11.051 1.00 3.67 N ATOM 782 CZ ARG A 83 -6.820 -8.301 10.179 1.00 5.19 C ATOM 783 NH1 ARG A 83 -7.821 -8.103 9.371 1.00 5.51 N ATOM 784 NH2 ARG A 83 -6.242 -9.456 10.070 1.00 6.85 N ATOM 0 H ARG A 83 -6.667 -3.131 9.572 1.00 0.56 H new ATOM 0 HA ARG A 83 -3.959 -3.935 8.797 1.00 0.65 H new ATOM 0 HB2 ARG A 83 -4.252 -5.920 10.323 1.00 1.03 H new ATOM 0 HB3 ARG A 83 -3.784 -4.390 11.038 1.00 1.03 H new ATOM 0 HG2 ARG A 83 -5.315 -5.369 12.530 1.00 1.25 H new ATOM 0 HG3 ARG A 83 -6.176 -4.062 11.743 1.00 1.25 H new ATOM 0 HD2 ARG A 83 -7.645 -5.985 11.963 1.00 2.01 H new ATOM 0 HD3 ARG A 83 -7.325 -5.692 10.266 1.00 2.01 H new ATOM 0 HE ARG A 83 -5.647 -7.704 11.685 1.00 3.67 H new ATOM 0 HH11 ARG A 83 -8.322 -7.215 9.388 1.00 5.51 H new ATOM 0 HH12 ARG A 83 -8.105 -8.836 8.721 1.00 5.51 H new ATOM 0 HH21 ARG A 83 -5.443 -9.684 10.661 1.00 6.85 H new ATOM 0 HH22 ARG A 83 -6.586 -10.137 9.393 1.00 6.85 H new ATOM 798 N ASP A 84 -6.730 -4.667 7.696 1.00 0.64 N ATOM 799 CA ASP A 84 -7.651 -5.387 6.819 1.00 0.75 C ATOM 800 C ASP A 84 -7.332 -5.164 5.333 1.00 0.70 C ATOM 801 O ASP A 84 -8.195 -5.339 4.467 1.00 0.81 O ATOM 802 CB ASP A 84 -9.095 -5.008 7.190 1.00 0.98 C ATOM 803 CG ASP A 84 -9.302 -4.970 8.706 1.00 2.28 C ATOM 804 OD1 ASP A 84 -8.964 -3.929 9.321 1.00 3.39 O ATOM 805 OD2 ASP A 84 -9.734 -5.997 9.285 1.00 3.47 O ATOM 0 H ASP A 84 -7.068 -3.729 7.910 1.00 0.64 H new ATOM 0 HA ASP A 84 -7.529 -6.459 6.972 1.00 0.75 H new ATOM 0 HB2 ASP A 84 -9.335 -4.033 6.766 1.00 0.98 H new ATOM 0 HB3 ASP A 84 -9.784 -5.727 6.747 1.00 0.98 H new ATOM 810 N TYR A 85 -6.077 -4.804 5.041 1.00 0.59 N ATOM 811 CA TYR A 85 -5.542 -4.766 3.689 1.00 0.50 C ATOM 812 C TYR A 85 -5.384 -6.181 3.120 1.00 0.52 C ATOM 813 O TYR A 85 -5.354 -7.169 3.863 1.00 0.60 O ATOM 814 CB TYR A 85 -4.152 -4.070 3.670 1.00 0.45 C ATOM 815 CG TYR A 85 -3.203 -4.522 4.770 1.00 0.49 C ATOM 816 CD1 TYR A 85 -2.644 -5.802 4.643 1.00 2.00 C ATOM 817 CD2 TYR A 85 -2.939 -3.753 5.928 1.00 1.48 C ATOM 818 CE1 TYR A 85 -1.902 -6.362 5.698 1.00 2.04 C ATOM 819 CE2 TYR A 85 -2.145 -4.293 6.965 1.00 1.47 C ATOM 820 CZ TYR A 85 -1.658 -5.617 6.870 1.00 0.63 C ATOM 821 OH TYR A 85 -0.970 -6.197 7.891 1.00 0.74 O ATOM 0 H TYR A 85 -5.400 -4.528 5.753 1.00 0.59 H new ATOM 0 HA TYR A 85 -6.247 -4.204 3.077 1.00 0.50 H new ATOM 0 HB2 TYR A 85 -3.681 -4.253 2.704 1.00 0.45 H new ATOM 0 HB3 TYR A 85 -4.298 -2.993 3.754 1.00 0.45 H new ATOM 0 HD1 TYR A 85 -2.784 -6.361 3.730 1.00 2.00 H new ATOM 0 HD2 TYR A 85 -3.343 -2.756 6.019 1.00 1.48 H new ATOM 0 HE1 TYR A 85 -1.517 -7.367 5.610 1.00 2.04 H new ATOM 0 HE2 TYR A 85 -1.910 -3.693 7.832 1.00 1.47 H new ATOM 0 HH TYR A 85 -0.880 -5.559 8.629 1.00 0.74 H new ATOM 831 N ALA A 86 -5.178 -6.271 1.805 1.00 0.49 N ATOM 832 CA ALA A 86 -4.553 -7.438 1.184 1.00 0.49 C ATOM 833 C ALA A 86 -3.103 -7.069 0.830 1.00 0.50 C ATOM 834 O ALA A 86 -2.875 -6.196 -0.009 1.00 0.55 O ATOM 835 CB ALA A 86 -5.417 -7.879 -0.001 1.00 0.50 C ATOM 0 H ALA A 86 -5.439 -5.540 1.144 1.00 0.49 H new ATOM 0 HA ALA A 86 -4.497 -8.300 1.849 1.00 0.49 H new ATOM 0 HB1 ALA A 86 -4.965 -8.749 -0.477 1.00 0.50 H new ATOM 0 HB2 ALA A 86 -6.416 -8.136 0.352 1.00 0.50 H new ATOM 0 HB3 ALA A 86 -5.486 -7.066 -0.723 1.00 0.50 H new ATOM 841 N ALA A 87 -2.128 -7.638 1.545 1.00 0.46 N ATOM 842 CA ALA A 87 -0.716 -7.303 1.398 1.00 0.41 C ATOM 843 C ALA A 87 -0.071 -8.214 0.320 1.00 0.46 C ATOM 844 O ALA A 87 0.327 -9.345 0.619 1.00 0.61 O ATOM 845 CB ALA A 87 0.011 -7.481 2.744 1.00 0.42 C ATOM 0 H ALA A 87 -2.304 -8.353 2.251 1.00 0.46 H new ATOM 0 HA ALA A 87 -0.626 -6.263 1.085 1.00 0.41 H new ATOM 0 HB1 ALA A 87 1.065 -7.229 2.625 1.00 0.42 H new ATOM 0 HB2 ALA A 87 -0.437 -6.824 3.489 1.00 0.42 H new ATOM 0 HB3 ALA A 87 -0.079 -8.517 3.072 1.00 0.42 H new ATOM 851 N TYR A 88 0.069 -7.727 -0.911 1.00 0.44 N ATOM 852 CA TYR A 88 0.696 -8.410 -2.042 1.00 0.51 C ATOM 853 C TYR A 88 2.193 -8.616 -1.811 1.00 0.41 C ATOM 854 O TYR A 88 2.984 -7.666 -1.820 1.00 0.36 O ATOM 855 CB TYR A 88 0.475 -7.616 -3.339 1.00 0.61 C ATOM 856 CG TYR A 88 -0.939 -7.660 -3.876 1.00 0.84 C ATOM 857 CD1 TYR A 88 -1.306 -8.683 -4.770 1.00 1.95 C ATOM 858 CD2 TYR A 88 -1.872 -6.665 -3.523 1.00 2.08 C ATOM 859 CE1 TYR A 88 -2.610 -8.730 -5.291 1.00 2.04 C ATOM 860 CE2 TYR A 88 -3.178 -6.705 -4.044 1.00 2.27 C ATOM 861 CZ TYR A 88 -3.558 -7.764 -4.895 1.00 1.37 C ATOM 862 OH TYR A 88 -4.835 -7.875 -5.337 1.00 1.61 O ATOM 0 H TYR A 88 -0.269 -6.797 -1.160 1.00 0.44 H new ATOM 0 HA TYR A 88 0.227 -9.389 -2.135 1.00 0.51 H new ATOM 0 HB2 TYR A 88 0.750 -6.576 -3.163 1.00 0.61 H new ATOM 0 HB3 TYR A 88 1.151 -8.000 -4.103 1.00 0.61 H new ATOM 0 HD1 TYR A 88 -0.584 -9.433 -5.056 1.00 1.95 H new ATOM 0 HD2 TYR A 88 -1.584 -5.870 -2.851 1.00 2.08 H new ATOM 0 HE1 TYR A 88 -2.885 -9.504 -5.993 1.00 2.04 H new ATOM 0 HE2 TYR A 88 -3.886 -5.929 -3.794 1.00 2.27 H new ATOM 0 HH TYR A 88 -5.179 -6.987 -5.570 1.00 1.61 H new ATOM 872 N ASN A 89 2.565 -9.891 -1.669 1.00 0.42 N ATOM 873 CA ASN A 89 3.911 -10.375 -1.546 1.00 0.33 C ATOM 874 C ASN A 89 4.546 -10.610 -2.924 1.00 0.36 C ATOM 875 O ASN A 89 4.369 -11.679 -3.519 1.00 0.52 O ATOM 876 CB ASN A 89 3.803 -11.661 -0.703 1.00 0.45 C ATOM 877 CG ASN A 89 5.132 -12.334 -0.477 1.00 1.05 C ATOM 878 OD1 ASN A 89 5.303 -13.536 -0.609 1.00 2.35 O ATOM 879 ND2 ASN A 89 6.114 -11.568 -0.103 1.00 1.40 N ATOM 0 H ASN A 89 1.880 -10.646 -1.637 1.00 0.42 H new ATOM 0 HA ASN A 89 4.570 -9.654 -1.062 1.00 0.33 H new ATOM 0 HB2 ASN A 89 3.356 -11.419 0.261 1.00 0.45 H new ATOM 0 HB3 ASN A 89 3.129 -12.359 -1.200 1.00 0.45 H new ATOM 0 HD21 ASN A 89 7.033 -11.970 0.082 1.00 1.40 H new ATOM 0 HD22 ASN A 89 5.965 -10.565 0.006 1.00 1.40 H new ATOM 886 N VAL A 90 5.289 -9.624 -3.439 1.00 0.33 N ATOM 887 CA VAL A 90 5.837 -9.691 -4.814 1.00 0.43 C ATOM 888 C VAL A 90 7.139 -10.493 -4.958 1.00 0.58 C ATOM 889 O VAL A 90 7.735 -10.507 -6.029 1.00 0.85 O ATOM 890 CB VAL A 90 5.901 -8.319 -5.513 1.00 0.43 C ATOM 891 CG1 VAL A 90 4.531 -7.626 -5.460 1.00 0.50 C ATOM 892 CG2 VAL A 90 6.952 -7.379 -4.922 1.00 0.49 C ATOM 0 H VAL A 90 5.528 -8.771 -2.934 1.00 0.33 H new ATOM 0 HA VAL A 90 5.097 -10.280 -5.356 1.00 0.43 H new ATOM 0 HB VAL A 90 6.191 -8.526 -6.543 1.00 0.43 H new ATOM 0 HG11 VAL A 90 4.593 -6.658 -5.958 1.00 0.50 H new ATOM 0 HG12 VAL A 90 3.790 -8.246 -5.964 1.00 0.50 H new ATOM 0 HG13 VAL A 90 4.237 -7.481 -4.421 1.00 0.50 H new ATOM 0 HG21 VAL A 90 6.940 -6.433 -5.464 1.00 0.49 H new ATOM 0 HG22 VAL A 90 6.728 -7.198 -3.871 1.00 0.49 H new ATOM 0 HG23 VAL A 90 7.938 -7.835 -5.010 1.00 0.49 H new ATOM 902 N LEU A 91 7.572 -11.197 -3.906 1.00 0.52 N ATOM 903 CA LEU A 91 8.641 -12.204 -3.990 1.00 0.68 C ATOM 904 C LEU A 91 8.143 -13.546 -4.542 1.00 0.68 C ATOM 905 O LEU A 91 8.901 -14.275 -5.180 1.00 0.79 O ATOM 906 CB LEU A 91 9.214 -12.455 -2.588 1.00 0.77 C ATOM 907 CG LEU A 91 10.000 -11.297 -1.980 1.00 0.90 C ATOM 908 CD1 LEU A 91 10.354 -11.669 -0.541 1.00 0.93 C ATOM 909 CD2 LEU A 91 11.281 -10.980 -2.751 1.00 1.34 C ATOM 0 H LEU A 91 7.190 -11.085 -2.967 1.00 0.52 H new ATOM 0 HA LEU A 91 9.396 -11.810 -4.670 1.00 0.68 H new ATOM 0 HB2 LEU A 91 8.391 -12.704 -1.918 1.00 0.77 H new ATOM 0 HB3 LEU A 91 9.864 -13.329 -2.632 1.00 0.77 H new ATOM 0 HG LEU A 91 9.377 -10.404 -2.024 1.00 0.90 H new ATOM 0 HD11 LEU A 91 10.917 -10.856 -0.083 1.00 0.93 H new ATOM 0 HD12 LEU A 91 9.439 -11.841 0.026 1.00 0.93 H new ATOM 0 HD13 LEU A 91 10.958 -12.576 -0.538 1.00 0.93 H new ATOM 0 HD21 LEU A 91 11.798 -10.148 -2.272 1.00 1.34 H new ATOM 0 HD22 LEU A 91 11.930 -11.856 -2.755 1.00 1.34 H new ATOM 0 HD23 LEU A 91 11.031 -10.709 -3.777 1.00 1.34 H new ATOM 921 N ASP A 92 6.880 -13.878 -4.272 1.00 0.64 N ATOM 922 CA ASP A 92 6.345 -15.229 -4.480 1.00 0.76 C ATOM 923 C ASP A 92 6.240 -15.604 -5.957 1.00 0.87 C ATOM 924 O ASP A 92 6.446 -16.756 -6.334 1.00 1.02 O ATOM 925 CB ASP A 92 4.968 -15.303 -3.842 1.00 0.83 C ATOM 926 CG ASP A 92 4.488 -16.735 -3.588 1.00 1.04 C ATOM 927 OD1 ASP A 92 5.230 -17.569 -3.016 1.00 2.06 O ATOM 928 OD2 ASP A 92 3.320 -17.041 -3.914 1.00 1.66 O ATOM 0 H ASP A 92 6.196 -13.218 -3.902 1.00 0.64 H new ATOM 0 HA ASP A 92 7.035 -15.937 -4.022 1.00 0.76 H new ATOM 0 HB2 ASP A 92 4.985 -14.761 -2.896 1.00 0.83 H new ATOM 0 HB3 ASP A 92 4.250 -14.797 -4.487 1.00 0.83 H new ATOM 933 N ASP A 93 5.920 -14.614 -6.786 1.00 0.90 N ATOM 934 CA ASP A 93 5.817 -14.709 -8.230 1.00 1.17 C ATOM 935 C ASP A 93 6.605 -13.579 -8.932 1.00 1.05 C ATOM 936 O ASP A 93 6.299 -12.394 -8.735 1.00 0.88 O ATOM 937 CB ASP A 93 4.332 -14.634 -8.584 1.00 1.39 C ATOM 938 CG ASP A 93 3.593 -15.947 -8.325 1.00 1.69 C ATOM 939 OD1 ASP A 93 4.009 -16.999 -8.870 1.00 2.90 O ATOM 940 OD2 ASP A 93 2.569 -15.928 -7.600 1.00 1.51 O ATOM 0 H ASP A 93 5.715 -13.675 -6.444 1.00 0.90 H new ATOM 0 HA ASP A 93 6.251 -15.648 -8.574 1.00 1.17 H new ATOM 0 HB2 ASP A 93 3.865 -13.839 -8.003 1.00 1.39 H new ATOM 0 HB3 ASP A 93 4.227 -14.365 -9.635 1.00 1.39 H new ATOM 945 N PRO A 94 7.564 -13.895 -9.825 1.00 1.19 N ATOM 946 CA PRO A 94 8.279 -12.879 -10.602 1.00 1.15 C ATOM 947 C PRO A 94 7.375 -12.159 -11.611 1.00 1.10 C ATOM 948 O PRO A 94 7.696 -11.062 -12.070 1.00 1.03 O ATOM 949 CB PRO A 94 9.401 -13.639 -11.294 1.00 1.45 C ATOM 950 CG PRO A 94 8.800 -15.021 -11.518 1.00 1.60 C ATOM 951 CD PRO A 94 8.004 -15.225 -10.229 1.00 1.46 C ATOM 0 HA PRO A 94 8.654 -12.082 -9.960 1.00 1.15 H new ATOM 0 HB2 PRO A 94 9.687 -13.167 -12.234 1.00 1.45 H new ATOM 0 HB3 PRO A 94 10.297 -13.685 -10.675 1.00 1.45 H new ATOM 0 HG2 PRO A 94 8.163 -15.052 -12.402 1.00 1.60 H new ATOM 0 HG3 PRO A 94 9.567 -15.784 -11.651 1.00 1.60 H new ATOM 0 HD2 PRO A 94 7.153 -15.886 -10.394 1.00 1.46 H new ATOM 0 HD3 PRO A 94 8.620 -15.685 -9.457 1.00 1.46 H new ATOM 959 N GLU A 95 6.219 -12.736 -11.935 1.00 1.17 N ATOM 960 CA GLU A 95 5.117 -12.089 -12.622 1.00 1.15 C ATOM 961 C GLU A 95 4.566 -10.902 -11.834 1.00 1.04 C ATOM 962 O GLU A 95 4.367 -9.830 -12.405 1.00 1.00 O ATOM 963 CB GLU A 95 3.997 -13.106 -12.772 1.00 1.26 C ATOM 964 CG GLU A 95 4.265 -14.144 -13.866 1.00 1.30 C ATOM 965 CD GLU A 95 5.364 -15.149 -13.510 1.00 2.86 C ATOM 966 OE1 GLU A 95 5.365 -15.654 -12.362 1.00 4.16 O ATOM 967 OE2 GLU A 95 6.224 -15.437 -14.377 1.00 3.92 O ATOM 0 H GLU A 95 6.022 -13.712 -11.713 1.00 1.17 H new ATOM 0 HA GLU A 95 5.481 -11.725 -13.583 1.00 1.15 H new ATOM 0 HB2 GLU A 95 3.852 -13.619 -11.821 1.00 1.26 H new ATOM 0 HB3 GLU A 95 3.068 -12.583 -12.997 1.00 1.26 H new ATOM 0 HG2 GLU A 95 3.343 -14.687 -14.072 1.00 1.30 H new ATOM 0 HG3 GLU A 95 4.543 -13.627 -14.784 1.00 1.30 H new ATOM 974 N LEU A 96 4.354 -11.086 -10.526 1.00 0.99 N ATOM 975 CA LEU A 96 3.915 -10.021 -9.624 1.00 0.88 C ATOM 976 C LEU A 96 5.022 -8.965 -9.496 1.00 0.73 C ATOM 977 O LEU A 96 4.753 -7.769 -9.604 1.00 0.67 O ATOM 978 CB LEU A 96 3.538 -10.574 -8.228 1.00 0.92 C ATOM 979 CG LEU A 96 2.036 -10.733 -7.929 1.00 0.66 C ATOM 980 CD1 LEU A 96 1.868 -11.392 -6.555 1.00 0.77 C ATOM 981 CD2 LEU A 96 1.292 -9.390 -7.893 1.00 1.00 C ATOM 0 H LEU A 96 4.484 -11.985 -10.063 1.00 0.99 H new ATOM 0 HA LEU A 96 3.021 -9.564 -10.048 1.00 0.88 H new ATOM 0 HB2 LEU A 96 4.014 -11.547 -8.108 1.00 0.92 H new ATOM 0 HB3 LEU A 96 3.967 -9.914 -7.474 1.00 0.92 H new ATOM 0 HG LEU A 96 1.614 -11.339 -8.731 1.00 0.66 H new ATOM 0 HD11 LEU A 96 0.807 -11.509 -6.335 1.00 0.77 H new ATOM 0 HD12 LEU A 96 2.347 -12.371 -6.560 1.00 0.77 H new ATOM 0 HD13 LEU A 96 2.330 -10.766 -5.792 1.00 0.77 H new ATOM 0 HD21 LEU A 96 0.238 -9.564 -7.678 1.00 1.00 H new ATOM 0 HD22 LEU A 96 1.721 -8.757 -7.116 1.00 1.00 H new ATOM 0 HD23 LEU A 96 1.389 -8.895 -8.859 1.00 1.00 H new ATOM 993 N ARG A 97 6.273 -9.423 -9.329 1.00 0.74 N ATOM 994 CA ARG A 97 7.475 -8.571 -9.248 1.00 0.68 C ATOM 995 C ARG A 97 7.590 -7.635 -10.453 1.00 0.62 C ATOM 996 O ARG A 97 7.546 -6.417 -10.320 1.00 0.51 O ATOM 997 CB ARG A 97 8.711 -9.478 -9.106 1.00 0.78 C ATOM 998 CG ARG A 97 9.954 -8.755 -8.570 1.00 0.83 C ATOM 999 CD ARG A 97 11.097 -9.760 -8.366 1.00 1.02 C ATOM 1000 NE ARG A 97 11.688 -10.231 -9.639 1.00 1.72 N ATOM 1001 CZ ARG A 97 12.529 -11.241 -9.789 1.00 2.18 C ATOM 1002 NH1 ARG A 97 12.978 -11.945 -8.791 1.00 1.83 N ATOM 1003 NH2 ARG A 97 12.933 -11.566 -10.982 1.00 3.42 N ATOM 0 H ARG A 97 6.484 -10.417 -9.244 1.00 0.74 H new ATOM 0 HA ARG A 97 7.401 -7.924 -8.374 1.00 0.68 H new ATOM 0 HB2 ARG A 97 8.468 -10.305 -8.439 1.00 0.78 H new ATOM 0 HB3 ARG A 97 8.946 -9.911 -10.078 1.00 0.78 H new ATOM 0 HG2 ARG A 97 10.262 -7.977 -9.269 1.00 0.83 H new ATOM 0 HG3 ARG A 97 9.720 -8.261 -7.627 1.00 0.83 H new ATOM 0 HD2 ARG A 97 11.876 -9.298 -7.759 1.00 1.02 H new ATOM 0 HD3 ARG A 97 10.724 -10.617 -7.806 1.00 1.02 H new ATOM 0 HE ARG A 97 11.420 -9.727 -10.484 1.00 1.72 H new ATOM 0 HH11 ARG A 97 12.682 -11.727 -7.839 1.00 1.83 H new ATOM 0 HH12 ARG A 97 13.626 -12.715 -8.960 1.00 1.83 H new ATOM 0 HH21 ARG A 97 12.601 -11.043 -11.793 1.00 3.42 H new ATOM 0 HH22 ARG A 97 13.581 -12.343 -11.107 1.00 3.42 H new ATOM 1017 N GLN A 98 7.647 -8.200 -11.655 1.00 0.73 N ATOM 1018 CA GLN A 98 7.727 -7.439 -12.905 1.00 0.73 C ATOM 1019 C GLN A 98 6.487 -6.583 -13.146 1.00 0.69 C ATOM 1020 O GLN A 98 6.589 -5.431 -13.584 1.00 0.66 O ATOM 1021 CB GLN A 98 7.895 -8.452 -14.040 1.00 0.82 C ATOM 1022 CG GLN A 98 8.216 -7.831 -15.404 1.00 1.04 C ATOM 1023 CD GLN A 98 8.224 -8.910 -16.476 1.00 1.74 C ATOM 1024 OE1 GLN A 98 9.070 -9.799 -16.476 1.00 2.43 O ATOM 1025 NE2 GLN A 98 7.251 -8.927 -17.359 1.00 2.23 N ATOM 0 H GLN A 98 7.639 -9.210 -11.794 1.00 0.73 H new ATOM 0 HA GLN A 98 8.569 -6.749 -12.853 1.00 0.73 H new ATOM 0 HB2 GLN A 98 8.692 -9.147 -13.775 1.00 0.82 H new ATOM 0 HB3 GLN A 98 6.979 -9.036 -14.127 1.00 0.82 H new ATOM 0 HG2 GLN A 98 7.477 -7.068 -15.649 1.00 1.04 H new ATOM 0 HG3 GLN A 98 9.186 -7.335 -15.368 1.00 1.04 H new ATOM 0 HE21 GLN A 98 6.548 -8.188 -17.358 1.00 2.23 H new ATOM 0 HE22 GLN A 98 7.198 -9.680 -18.045 1.00 2.23 H new ATOM 1034 N GLY A 99 5.333 -7.158 -12.812 1.00 0.73 N ATOM 1035 CA GLY A 99 4.033 -6.508 -12.882 1.00 0.73 C ATOM 1036 C GLY A 99 3.995 -5.204 -12.088 1.00 0.65 C ATOM 1037 O GLY A 99 3.486 -4.208 -12.601 1.00 0.64 O ATOM 0 H GLY A 99 5.279 -8.119 -12.475 1.00 0.73 H new ATOM 0 HA2 GLY A 99 3.787 -6.304 -13.924 1.00 0.73 H new ATOM 0 HA3 GLY A 99 3.269 -7.186 -12.501 1.00 0.73 H new ATOM 1041 N ILE A 100 4.593 -5.160 -10.892 1.00 0.61 N ATOM 1042 CA ILE A 100 4.586 -3.967 -10.046 1.00 0.56 C ATOM 1043 C ILE A 100 5.740 -3.009 -10.360 1.00 0.55 C ATOM 1044 O ILE A 100 5.527 -1.796 -10.364 1.00 0.57 O ATOM 1045 CB ILE A 100 4.462 -4.377 -8.580 1.00 0.54 C ATOM 1046 CG1 ILE A 100 3.663 -3.320 -7.815 1.00 0.50 C ATOM 1047 CG2 ILE A 100 5.801 -4.630 -7.868 1.00 0.54 C ATOM 1048 CD1 ILE A 100 2.208 -3.075 -8.244 1.00 0.73 C ATOM 0 H ILE A 100 5.094 -5.950 -10.486 1.00 0.61 H new ATOM 0 HA ILE A 100 3.704 -3.369 -10.276 1.00 0.56 H new ATOM 0 HB ILE A 100 3.943 -5.336 -8.584 1.00 0.54 H new ATOM 0 HG12 ILE A 100 3.659 -3.600 -6.762 1.00 0.50 H new ATOM 0 HG13 ILE A 100 4.199 -2.374 -7.892 1.00 0.50 H new ATOM 0 HG21 ILE A 100 5.614 -4.916 -6.833 1.00 0.54 H new ATOM 0 HG22 ILE A 100 6.337 -5.433 -8.375 1.00 0.54 H new ATOM 0 HG23 ILE A 100 6.403 -3.721 -7.891 1.00 0.54 H new ATOM 0 HD11 ILE A 100 1.768 -2.301 -7.615 1.00 0.73 H new ATOM 0 HD12 ILE A 100 2.185 -2.752 -9.285 1.00 0.73 H new ATOM 0 HD13 ILE A 100 1.637 -3.997 -8.137 1.00 0.73 H new ATOM 1060 N LYS A 101 6.913 -3.540 -10.745 1.00 0.56 N ATOM 1061 CA LYS A 101 8.021 -2.747 -11.312 1.00 0.58 C ATOM 1062 C LYS A 101 7.581 -1.947 -12.536 1.00 0.59 C ATOM 1063 O LYS A 101 8.051 -0.826 -12.730 1.00 0.67 O ATOM 1064 CB LYS A 101 9.216 -3.648 -11.675 1.00 0.61 C ATOM 1065 CG LYS A 101 9.963 -4.139 -10.422 1.00 0.66 C ATOM 1066 CD LYS A 101 11.198 -5.012 -10.716 1.00 0.85 C ATOM 1067 CE LYS A 101 12.344 -4.196 -11.326 1.00 1.53 C ATOM 1068 NZ LYS A 101 13.569 -4.997 -11.548 1.00 1.85 N ATOM 0 H LYS A 101 7.122 -4.536 -10.672 1.00 0.56 H new ATOM 0 HA LYS A 101 8.331 -2.041 -10.542 1.00 0.58 H new ATOM 0 HB2 LYS A 101 8.864 -4.506 -12.248 1.00 0.61 H new ATOM 0 HB3 LYS A 101 9.904 -3.098 -12.316 1.00 0.61 H new ATOM 0 HG2 LYS A 101 10.276 -3.273 -9.839 1.00 0.66 H new ATOM 0 HG3 LYS A 101 9.271 -4.708 -9.801 1.00 0.66 H new ATOM 0 HD2 LYS A 101 11.538 -5.482 -9.793 1.00 0.85 H new ATOM 0 HD3 LYS A 101 10.921 -5.815 -11.399 1.00 0.85 H new ATOM 0 HE2 LYS A 101 12.016 -3.773 -12.275 1.00 1.53 H new ATOM 0 HE3 LYS A 101 12.578 -3.359 -10.668 1.00 1.53 H new ATOM 0 HZ1 LYS A 101 14.308 -4.393 -11.961 1.00 1.85 H new ATOM 0 HZ2 LYS A 101 13.902 -5.380 -10.641 1.00 1.85 H new ATOM 0 HZ3 LYS A 101 13.358 -5.781 -12.198 1.00 1.85 H new ATOM 1082 N ASP A 102 6.657 -2.485 -13.334 1.00 0.58 N ATOM 1083 CA ASP A 102 6.024 -1.743 -14.422 1.00 0.67 C ATOM 1084 C ASP A 102 4.882 -0.835 -13.915 1.00 0.73 C ATOM 1085 O ASP A 102 4.928 0.383 -14.086 1.00 0.81 O ATOM 1086 CB ASP A 102 5.548 -2.724 -15.505 1.00 0.72 C ATOM 1087 CG ASP A 102 5.266 -2.027 -16.835 1.00 0.89 C ATOM 1088 OD1 ASP A 102 4.210 -1.363 -16.960 1.00 2.00 O ATOM 1089 OD2 ASP A 102 6.081 -2.183 -17.777 1.00 2.00 O ATOM 0 H ASP A 102 6.328 -3.446 -13.243 1.00 0.58 H new ATOM 0 HA ASP A 102 6.762 -1.074 -14.863 1.00 0.67 H new ATOM 0 HB2 ASP A 102 6.306 -3.493 -15.654 1.00 0.72 H new ATOM 0 HB3 ASP A 102 4.644 -3.229 -15.163 1.00 0.72 H new ATOM 1094 N TYR A 103 3.858 -1.394 -13.264 1.00 0.73 N ATOM 1095 CA TYR A 103 2.593 -0.696 -12.979 1.00 0.81 C ATOM 1096 C TYR A 103 2.714 0.453 -11.967 1.00 0.96 C ATOM 1097 O TYR A 103 2.068 1.494 -12.119 1.00 1.10 O ATOM 1098 CB TYR A 103 1.586 -1.727 -12.475 1.00 0.84 C ATOM 1099 CG TYR A 103 0.164 -1.224 -12.453 1.00 0.86 C ATOM 1100 CD1 TYR A 103 -0.567 -1.202 -13.652 1.00 2.13 C ATOM 1101 CD2 TYR A 103 -0.429 -0.808 -11.248 1.00 1.65 C ATOM 1102 CE1 TYR A 103 -1.910 -0.784 -13.644 1.00 2.27 C ATOM 1103 CE2 TYR A 103 -1.784 -0.401 -11.236 1.00 1.59 C ATOM 1104 CZ TYR A 103 -2.512 -0.359 -12.444 1.00 1.05 C ATOM 1105 OH TYR A 103 -3.783 0.121 -12.484 1.00 1.23 O ATOM 0 H TYR A 103 3.880 -2.352 -12.915 1.00 0.73 H new ATOM 0 HA TYR A 103 2.268 -0.227 -13.908 1.00 0.81 H new ATOM 0 HB2 TYR A 103 1.639 -2.613 -13.107 1.00 0.84 H new ATOM 0 HB3 TYR A 103 1.868 -2.036 -11.469 1.00 0.84 H new ATOM 0 HD1 TYR A 103 -0.099 -1.505 -14.577 1.00 2.13 H new ATOM 0 HD2 TYR A 103 0.148 -0.799 -10.335 1.00 1.65 H new ATOM 0 HE1 TYR A 103 -2.481 -0.789 -14.561 1.00 2.27 H new ATOM 0 HE2 TYR A 103 -2.259 -0.124 -10.306 1.00 1.59 H new ATOM 0 HH TYR A 103 -4.066 0.374 -11.580 1.00 1.23 H new ATOM 1115 N SER A 104 3.583 0.288 -10.968 1.00 0.98 N ATOM 1116 CA SER A 104 3.994 1.340 -10.026 1.00 1.11 C ATOM 1117 C SER A 104 5.333 1.984 -10.429 1.00 1.18 C ATOM 1118 O SER A 104 5.885 2.799 -9.688 1.00 1.34 O ATOM 1119 CB SER A 104 4.028 0.787 -8.599 1.00 1.28 C ATOM 1120 OG SER A 104 2.780 0.213 -8.259 1.00 2.52 O ATOM 0 H SER A 104 4.036 -0.607 -10.783 1.00 0.98 H new ATOM 0 HA SER A 104 3.252 2.138 -10.062 1.00 1.11 H new ATOM 0 HB2 SER A 104 4.815 0.038 -8.512 1.00 1.28 H new ATOM 0 HB3 SER A 104 4.270 1.587 -7.899 1.00 1.28 H new ATOM 0 HG SER A 104 2.659 0.246 -7.287 1.00 2.52 H new ATOM 1126 N ASN A 105 5.841 1.630 -11.615 1.00 1.11 N ATOM 1127 CA ASN A 105 6.975 2.229 -12.340 1.00 1.12 C ATOM 1128 C ASN A 105 8.347 2.292 -11.622 1.00 1.01 C ATOM 1129 O ASN A 105 9.234 3.008 -12.091 1.00 1.06 O ATOM 1130 CB ASN A 105 6.540 3.593 -12.921 1.00 1.30 C ATOM 1131 CG ASN A 105 7.004 3.806 -14.344 1.00 1.53 C ATOM 1132 OD1 ASN A 105 6.226 3.803 -15.290 1.00 1.84 O ATOM 1133 ND2 ASN A 105 8.281 3.951 -14.547 1.00 1.61 N ATOM 0 H ASN A 105 5.438 0.853 -12.139 1.00 1.11 H new ATOM 0 HA ASN A 105 7.203 1.519 -13.135 1.00 1.12 H new ATOM 0 HB2 ASN A 105 5.453 3.667 -12.885 1.00 1.30 H new ATOM 0 HB3 ASN A 105 6.935 4.391 -12.293 1.00 1.30 H new ATOM 0 HD21 ASN A 105 8.637 4.063 -15.496 1.00 1.61 H new ATOM 0 HD22 ASN A 105 8.926 3.953 -13.757 1.00 1.61 H new ATOM 1140 N TRP A 106 8.543 1.605 -10.493 1.00 0.92 N ATOM 1141 CA TRP A 106 9.779 1.686 -9.687 1.00 0.77 C ATOM 1142 C TRP A 106 10.338 0.305 -9.315 1.00 0.85 C ATOM 1143 O TRP A 106 9.539 -0.586 -9.018 1.00 1.00 O ATOM 1144 CB TRP A 106 9.546 2.557 -8.441 1.00 0.79 C ATOM 1145 CG TRP A 106 10.550 3.644 -8.231 1.00 0.85 C ATOM 1146 CD1 TRP A 106 11.557 3.640 -7.329 1.00 0.88 C ATOM 1147 CD2 TRP A 106 10.666 4.910 -8.952 1.00 1.08 C ATOM 1148 NE1 TRP A 106 12.262 4.821 -7.411 1.00 1.14 N ATOM 1149 CE2 TRP A 106 11.771 5.634 -8.408 1.00 1.30 C ATOM 1150 CE3 TRP A 106 9.962 5.512 -10.021 1.00 1.23 C ATOM 1151 CZ2 TRP A 106 12.169 6.882 -8.911 1.00 1.68 C ATOM 1152 CZ3 TRP A 106 10.364 6.760 -10.538 1.00 1.61 C ATOM 1153 CH2 TRP A 106 11.464 7.443 -9.990 1.00 1.84 C ATOM 0 H TRP A 106 7.846 0.970 -10.104 1.00 0.92 H new ATOM 0 HA TRP A 106 10.541 2.160 -10.306 1.00 0.77 H new ATOM 0 HB2 TRP A 106 8.556 3.007 -8.511 1.00 0.79 H new ATOM 0 HB3 TRP A 106 9.542 1.913 -7.562 1.00 0.79 H new ATOM 0 HD1 TRP A 106 11.776 2.832 -6.646 1.00 0.88 H new ATOM 0 HE1 TRP A 106 13.049 5.063 -6.809 1.00 1.14 H new ATOM 0 HE3 TRP A 106 9.106 5.009 -10.446 1.00 1.23 H new ATOM 0 HZ2 TRP A 106 13.007 7.405 -8.474 1.00 1.68 H new ATOM 0 HZ3 TRP A 106 9.821 7.196 -11.364 1.00 1.61 H new ATOM 0 HH2 TRP A 106 11.767 8.396 -10.397 1.00 1.84 H new ATOM 1164 N PRO A 107 11.673 0.106 -9.266 1.00 0.84 N ATOM 1165 CA PRO A 107 12.275 -1.216 -9.071 1.00 0.89 C ATOM 1166 C PRO A 107 11.962 -1.878 -7.719 1.00 0.88 C ATOM 1167 O PRO A 107 11.794 -3.097 -7.668 1.00 0.94 O ATOM 1168 CB PRO A 107 13.783 -1.032 -9.286 1.00 0.96 C ATOM 1169 CG PRO A 107 14.003 0.459 -9.043 1.00 1.14 C ATOM 1170 CD PRO A 107 12.718 1.069 -9.587 1.00 0.84 C ATOM 0 HA PRO A 107 11.840 -1.914 -9.786 1.00 0.89 H new ATOM 0 HB2 PRO A 107 14.364 -1.641 -8.593 1.00 0.96 H new ATOM 0 HB3 PRO A 107 14.082 -1.322 -10.293 1.00 0.96 H new ATOM 0 HG2 PRO A 107 14.143 0.682 -7.985 1.00 1.14 H new ATOM 0 HG3 PRO A 107 14.883 0.831 -9.567 1.00 1.14 H new ATOM 0 HD2 PRO A 107 12.516 2.037 -9.128 1.00 0.84 H new ATOM 0 HD3 PRO A 107 12.785 1.234 -10.662 1.00 0.84 H new ATOM 1178 N THR A 108 11.848 -1.100 -6.637 1.00 0.87 N ATOM 1179 CA THR A 108 11.277 -1.529 -5.343 1.00 1.10 C ATOM 1180 C THR A 108 10.974 -0.318 -4.470 1.00 0.91 C ATOM 1181 O THR A 108 11.876 0.386 -4.020 1.00 1.32 O ATOM 1182 CB THR A 108 12.222 -2.442 -4.536 1.00 1.61 C ATOM 1183 OG1 THR A 108 12.296 -3.726 -5.104 1.00 2.63 O ATOM 1184 CG2 THR A 108 11.784 -2.693 -3.090 1.00 2.73 C ATOM 0 H THR A 108 12.157 -0.128 -6.631 1.00 0.87 H new ATOM 0 HA THR A 108 10.374 -2.086 -5.592 1.00 1.10 H new ATOM 0 HB THR A 108 13.168 -1.900 -4.555 1.00 1.61 H new ATOM 0 HG1 THR A 108 11.975 -3.693 -6.029 1.00 2.63 H new ATOM 0 HG21 THR A 108 12.507 -3.345 -2.599 1.00 2.73 H new ATOM 0 HG22 THR A 108 11.730 -1.744 -2.556 1.00 2.73 H new ATOM 0 HG23 THR A 108 10.804 -3.169 -3.084 1.00 2.73 H new ATOM 1192 N ILE A 109 9.693 -0.116 -4.197 1.00 0.92 N ATOM 1193 CA ILE A 109 9.121 0.785 -3.187 1.00 0.84 C ATOM 1194 C ILE A 109 7.917 0.072 -2.549 1.00 0.97 C ATOM 1195 O ILE A 109 7.083 -0.414 -3.310 1.00 1.46 O ATOM 1196 CB ILE A 109 8.662 2.098 -3.869 1.00 1.09 C ATOM 1197 CG1 ILE A 109 9.789 2.879 -4.572 1.00 1.77 C ATOM 1198 CG2 ILE A 109 7.952 3.027 -2.882 1.00 1.36 C ATOM 1199 CD1 ILE A 109 10.851 3.484 -3.646 1.00 3.21 C ATOM 0 H ILE A 109 8.965 -0.612 -4.711 1.00 0.92 H new ATOM 0 HA ILE A 109 9.860 1.030 -2.424 1.00 0.84 H new ATOM 0 HB ILE A 109 7.968 1.770 -4.643 1.00 1.09 H new ATOM 0 HG12 ILE A 109 10.285 2.212 -5.277 1.00 1.77 H new ATOM 0 HG13 ILE A 109 9.341 3.683 -5.156 1.00 1.77 H new ATOM 0 HG21 ILE A 109 7.645 3.938 -3.396 1.00 1.36 H new ATOM 0 HG22 ILE A 109 7.074 2.525 -2.477 1.00 1.36 H new ATOM 0 HG23 ILE A 109 8.632 3.281 -2.069 1.00 1.36 H new ATOM 0 HD11 ILE A 109 11.596 4.011 -4.242 1.00 3.21 H new ATOM 0 HD12 ILE A 109 10.377 4.183 -2.957 1.00 3.21 H new ATOM 0 HD13 ILE A 109 11.336 2.689 -3.080 1.00 3.21 H new ATOM 1211 N PRO A 110 7.734 0.013 -1.214 1.00 0.82 N ATOM 1212 CA PRO A 110 6.463 -0.449 -0.653 1.00 0.95 C ATOM 1213 C PRO A 110 5.344 0.553 -0.942 1.00 0.73 C ATOM 1214 O PRO A 110 5.554 1.751 -0.752 1.00 0.77 O ATOM 1215 CB PRO A 110 6.676 -0.619 0.849 1.00 1.34 C ATOM 1216 CG PRO A 110 8.190 -0.727 0.976 1.00 0.66 C ATOM 1217 CD PRO A 110 8.732 0.128 -0.167 1.00 0.70 C ATOM 0 HA PRO A 110 6.160 -1.393 -1.105 1.00 0.95 H new ATOM 0 HB2 PRO A 110 6.284 0.230 1.410 1.00 1.34 H new ATOM 0 HB3 PRO A 110 6.176 -1.510 1.228 1.00 1.34 H new ATOM 0 HG2 PRO A 110 8.534 -0.361 1.943 1.00 0.66 H new ATOM 0 HG3 PRO A 110 8.523 -1.761 0.890 1.00 0.66 H new ATOM 0 HD2 PRO A 110 8.865 1.165 0.142 1.00 0.70 H new ATOM 0 HD3 PRO A 110 9.704 -0.231 -0.505 1.00 0.70 H new ATOM 1225 N GLN A 111 4.167 0.100 -1.378 1.00 0.59 N ATOM 1226 CA GLN A 111 3.066 0.984 -1.786 1.00 0.54 C ATOM 1227 C GLN A 111 1.761 0.624 -1.070 1.00 0.51 C ATOM 1228 O GLN A 111 1.607 -0.497 -0.572 1.00 0.52 O ATOM 1229 CB GLN A 111 2.832 0.925 -3.310 1.00 0.72 C ATOM 1230 CG GLN A 111 4.070 1.018 -4.220 1.00 0.74 C ATOM 1231 CD GLN A 111 4.145 -0.152 -5.197 1.00 1.28 C ATOM 1232 OE1 GLN A 111 3.172 -0.554 -5.818 1.00 2.10 O ATOM 1233 NE2 GLN A 111 5.298 -0.733 -5.396 1.00 2.04 N ATOM 0 H GLN A 111 3.947 -0.893 -1.459 1.00 0.59 H new ATOM 0 HA GLN A 111 3.360 1.995 -1.506 1.00 0.54 H new ATOM 0 HB2 GLN A 111 2.317 -0.009 -3.536 1.00 0.72 H new ATOM 0 HB3 GLN A 111 2.155 1.736 -3.579 1.00 0.72 H new ATOM 0 HG2 GLN A 111 4.042 1.955 -4.776 1.00 0.74 H new ATOM 0 HG3 GLN A 111 4.971 1.038 -3.607 1.00 0.74 H new ATOM 0 HE21 GLN A 111 6.124 -0.415 -4.889 1.00 2.04 H new ATOM 0 HE22 GLN A 111 5.372 -1.505 -6.058 1.00 2.04 H new ATOM 1242 N VAL A 112 0.774 1.526 -1.104 1.00 0.50 N ATOM 1243 CA VAL A 112 -0.619 1.170 -0.851 1.00 0.46 C ATOM 1244 C VAL A 112 -1.507 1.862 -1.876 1.00 0.48 C ATOM 1245 O VAL A 112 -1.321 3.045 -2.177 1.00 0.75 O ATOM 1246 CB VAL A 112 -1.003 1.444 0.615 1.00 0.49 C ATOM 1247 CG1 VAL A 112 -1.077 2.921 1.009 1.00 0.63 C ATOM 1248 CG2 VAL A 112 -2.328 0.769 0.985 1.00 0.47 C ATOM 0 H VAL A 112 0.920 2.515 -1.306 1.00 0.50 H new ATOM 0 HA VAL A 112 -0.768 0.098 -0.980 1.00 0.46 H new ATOM 0 HB VAL A 112 -0.176 1.012 1.179 1.00 0.49 H new ATOM 0 HG11 VAL A 112 -1.355 3.004 2.060 1.00 0.63 H new ATOM 0 HG12 VAL A 112 -0.105 3.388 0.853 1.00 0.63 H new ATOM 0 HG13 VAL A 112 -1.824 3.424 0.396 1.00 0.63 H new ATOM 0 HG21 VAL A 112 -2.567 0.984 2.026 1.00 0.47 H new ATOM 0 HG22 VAL A 112 -3.122 1.151 0.344 1.00 0.47 H new ATOM 0 HG23 VAL A 112 -2.238 -0.309 0.848 1.00 0.47 H new ATOM 1258 N TYR A 113 -2.446 1.103 -2.437 1.00 0.32 N ATOM 1259 CA TYR A 113 -3.559 1.647 -3.210 1.00 0.35 C ATOM 1260 C TYR A 113 -4.809 1.714 -2.328 1.00 0.33 C ATOM 1261 O TYR A 113 -5.111 0.756 -1.610 1.00 0.37 O ATOM 1262 CB TYR A 113 -3.798 0.834 -4.495 1.00 0.41 C ATOM 1263 CG TYR A 113 -2.709 0.953 -5.543 1.00 0.51 C ATOM 1264 CD1 TYR A 113 -1.428 0.421 -5.295 1.00 1.18 C ATOM 1265 CD2 TYR A 113 -2.989 1.531 -6.794 1.00 1.77 C ATOM 1266 CE1 TYR A 113 -0.422 0.498 -6.269 1.00 1.14 C ATOM 1267 CE2 TYR A 113 -1.997 1.577 -7.788 1.00 1.99 C ATOM 1268 CZ TYR A 113 -0.703 1.077 -7.528 1.00 0.99 C ATOM 1269 OH TYR A 113 0.238 1.156 -8.506 1.00 1.30 O ATOM 0 H TYR A 113 -2.455 0.085 -2.367 1.00 0.32 H new ATOM 0 HA TYR A 113 -3.312 2.659 -3.530 1.00 0.35 H new ATOM 0 HB2 TYR A 113 -3.909 -0.217 -4.226 1.00 0.41 H new ATOM 0 HB3 TYR A 113 -4.742 1.152 -4.937 1.00 0.41 H new ATOM 0 HD1 TYR A 113 -1.219 -0.050 -4.346 1.00 1.18 H new ATOM 0 HD2 TYR A 113 -3.969 1.940 -6.991 1.00 1.77 H new ATOM 0 HE1 TYR A 113 0.566 0.116 -6.058 1.00 1.14 H new ATOM 0 HE2 TYR A 113 -2.226 1.997 -8.756 1.00 1.99 H new ATOM 0 HH TYR A 113 1.082 0.780 -8.179 1.00 1.30 H new ATOM 1279 N LEU A 114 -5.546 2.830 -2.391 1.00 0.34 N ATOM 1280 CA LEU A 114 -6.836 2.984 -1.711 1.00 0.34 C ATOM 1281 C LEU A 114 -7.979 3.103 -2.711 1.00 0.38 C ATOM 1282 O LEU A 114 -7.955 3.953 -3.604 1.00 0.42 O ATOM 1283 CB LEU A 114 -6.841 4.123 -0.678 1.00 0.37 C ATOM 1284 CG LEU A 114 -6.724 3.636 0.779 1.00 0.47 C ATOM 1285 CD1 LEU A 114 -5.344 3.098 1.119 1.00 0.52 C ATOM 1286 CD2 LEU A 114 -7.084 4.778 1.727 1.00 0.60 C ATOM 0 H LEU A 114 -5.262 3.655 -2.918 1.00 0.34 H new ATOM 0 HA LEU A 114 -6.997 2.071 -1.138 1.00 0.34 H new ATOM 0 HB2 LEU A 114 -6.015 4.801 -0.893 1.00 0.37 H new ATOM 0 HB3 LEU A 114 -7.761 4.697 -0.787 1.00 0.37 H new ATOM 0 HG LEU A 114 -7.421 2.806 0.897 1.00 0.47 H new ATOM 0 HD11 LEU A 114 -5.327 2.771 2.159 1.00 0.52 H new ATOM 0 HD12 LEU A 114 -5.112 2.254 0.470 1.00 0.52 H new ATOM 0 HD13 LEU A 114 -4.601 3.883 0.973 1.00 0.52 H new ATOM 0 HD21 LEU A 114 -7.002 4.435 2.758 1.00 0.60 H new ATOM 0 HD22 LEU A 114 -6.402 5.613 1.567 1.00 0.60 H new ATOM 0 HD23 LEU A 114 -8.106 5.103 1.533 1.00 0.60 H new ATOM 1298 N ASN A 115 -8.987 2.238 -2.556 1.00 0.38 N ATOM 1299 CA ASN A 115 -10.088 2.078 -3.514 1.00 0.43 C ATOM 1300 C ASN A 115 -9.616 1.835 -4.970 1.00 0.42 C ATOM 1301 O ASN A 115 -10.238 2.279 -5.936 1.00 0.55 O ATOM 1302 CB ASN A 115 -11.047 3.258 -3.372 1.00 0.55 C ATOM 1303 CG ASN A 115 -12.488 2.912 -3.674 1.00 0.70 C ATOM 1304 OD1 ASN A 115 -12.856 1.859 -4.173 1.00 0.76 O ATOM 1305 ND2 ASN A 115 -13.371 3.789 -3.293 1.00 0.82 N ATOM 0 H ASN A 115 -9.063 1.619 -1.749 1.00 0.38 H new ATOM 0 HA ASN A 115 -10.627 1.163 -3.269 1.00 0.43 H new ATOM 0 HB2 ASN A 115 -10.982 3.647 -2.356 1.00 0.55 H new ATOM 0 HB3 ASN A 115 -10.727 4.057 -4.041 1.00 0.55 H new ATOM 0 HD21 ASN A 115 -14.366 3.596 -3.411 1.00 0.82 H new ATOM 0 HD22 ASN A 115 -13.068 4.669 -2.876 1.00 0.82 H new ATOM 1312 N GLY A 116 -8.450 1.205 -5.122 1.00 0.34 N ATOM 1313 CA GLY A 116 -7.755 0.997 -6.390 1.00 0.36 C ATOM 1314 C GLY A 116 -6.907 2.151 -6.957 1.00 0.38 C ATOM 1315 O GLY A 116 -6.384 1.995 -8.060 1.00 0.52 O ATOM 0 H GLY A 116 -7.944 0.809 -4.330 1.00 0.34 H new ATOM 0 HA2 GLY A 116 -7.103 0.132 -6.273 1.00 0.36 H new ATOM 0 HA3 GLY A 116 -8.502 0.734 -7.139 1.00 0.36 H new ATOM 1319 N GLU A 117 -6.741 3.292 -6.272 1.00 0.37 N ATOM 1320 CA GLU A 117 -5.903 4.410 -6.736 1.00 0.43 C ATOM 1321 C GLU A 117 -4.593 4.485 -5.956 1.00 0.44 C ATOM 1322 O GLU A 117 -4.555 4.224 -4.755 1.00 0.39 O ATOM 1323 CB GLU A 117 -6.679 5.732 -6.673 1.00 0.55 C ATOM 1324 CG GLU A 117 -5.892 6.937 -7.170 1.00 0.75 C ATOM 1325 CD GLU A 117 -6.713 8.227 -7.214 1.00 1.04 C ATOM 1326 OE1 GLU A 117 -7.590 8.370 -8.104 1.00 1.64 O ATOM 1327 OE2 GLU A 117 -6.493 9.103 -6.342 1.00 2.73 O ATOM 0 H GLU A 117 -7.188 3.467 -5.372 1.00 0.37 H new ATOM 0 HA GLU A 117 -5.642 4.228 -7.779 1.00 0.43 H new ATOM 0 HB2 GLU A 117 -7.589 5.636 -7.265 1.00 0.55 H new ATOM 0 HB3 GLU A 117 -6.987 5.912 -5.643 1.00 0.55 H new ATOM 0 HG2 GLU A 117 -5.027 7.088 -6.524 1.00 0.75 H new ATOM 0 HG3 GLU A 117 -5.510 6.725 -8.169 1.00 0.75 H new ATOM 1334 N PHE A 118 -3.522 4.857 -6.652 1.00 0.58 N ATOM 1335 CA PHE A 118 -2.180 4.982 -6.094 1.00 0.65 C ATOM 1336 C PHE A 118 -2.042 6.280 -5.316 1.00 0.63 C ATOM 1337 O PHE A 118 -2.463 7.372 -5.708 1.00 0.70 O ATOM 1338 CB PHE A 118 -1.166 4.907 -7.241 1.00 0.74 C ATOM 1339 CG PHE A 118 0.294 4.583 -6.967 1.00 0.99 C ATOM 1340 CD1 PHE A 118 0.864 4.413 -5.685 1.00 2.11 C ATOM 1341 CD2 PHE A 118 1.108 4.461 -8.104 1.00 1.91 C ATOM 1342 CE1 PHE A 118 2.238 4.134 -5.561 1.00 2.25 C ATOM 1343 CE2 PHE A 118 2.481 4.187 -7.980 1.00 2.08 C ATOM 1344 CZ PHE A 118 3.047 4.024 -6.705 1.00 1.52 C ATOM 0 H PHE A 118 -3.565 5.086 -7.645 1.00 0.58 H new ATOM 0 HA PHE A 118 -1.990 4.168 -5.394 1.00 0.65 H new ATOM 0 HB2 PHE A 118 -1.533 4.161 -7.945 1.00 0.74 H new ATOM 0 HB3 PHE A 118 -1.190 5.869 -7.754 1.00 0.74 H new ATOM 0 HD1 PHE A 118 0.247 4.497 -4.803 1.00 2.11 H new ATOM 0 HD2 PHE A 118 0.674 4.579 -9.086 1.00 1.91 H new ATOM 0 HE1 PHE A 118 2.673 4.004 -4.581 1.00 2.25 H new ATOM 0 HE2 PHE A 118 3.099 4.102 -8.862 1.00 2.08 H new ATOM 0 HZ PHE A 118 4.102 3.815 -6.604 1.00 1.52 H new ATOM 1354 N VAL A 119 -1.473 6.098 -4.141 1.00 0.63 N ATOM 1355 CA VAL A 119 -1.837 6.842 -2.951 1.00 0.53 C ATOM 1356 C VAL A 119 -0.617 7.048 -2.062 1.00 0.77 C ATOM 1357 O VAL A 119 -0.490 8.105 -1.448 1.00 1.09 O ATOM 1358 CB VAL A 119 -2.996 6.036 -2.339 1.00 0.71 C ATOM 1359 CG1 VAL A 119 -2.888 5.682 -0.881 1.00 0.81 C ATOM 1360 CG2 VAL A 119 -4.286 6.804 -2.620 1.00 1.64 C ATOM 0 H VAL A 119 -0.731 5.416 -3.983 1.00 0.63 H new ATOM 0 HA VAL A 119 -2.175 7.862 -3.133 1.00 0.53 H new ATOM 0 HB VAL A 119 -2.972 5.057 -2.818 1.00 0.71 H new ATOM 0 HG11 VAL A 119 -3.769 5.116 -0.578 1.00 0.81 H new ATOM 0 HG12 VAL A 119 -1.995 5.079 -0.718 1.00 0.81 H new ATOM 0 HG13 VAL A 119 -2.822 6.595 -0.289 1.00 0.81 H new ATOM 0 HG21 VAL A 119 -5.132 6.261 -2.199 1.00 1.64 H new ATOM 0 HG22 VAL A 119 -4.227 7.793 -2.165 1.00 1.64 H new ATOM 0 HG23 VAL A 119 -4.421 6.908 -3.697 1.00 1.64 H new ATOM 1370 N GLY A 120 0.358 6.137 -2.133 1.00 0.70 N ATOM 1371 CA GLY A 120 1.754 6.523 -2.005 1.00 0.91 C ATOM 1372 C GLY A 120 2.749 5.362 -2.016 1.00 0.57 C ATOM 1373 O GLY A 120 2.367 4.210 -1.805 1.00 0.40 O ATOM 0 H GLY A 120 0.203 5.139 -2.277 1.00 0.70 H new ATOM 0 HA2 GLY A 120 2.003 7.203 -2.819 1.00 0.91 H new ATOM 0 HA3 GLY A 120 1.878 7.079 -1.076 1.00 0.91 H new ATOM 1377 N GLY A 121 4.024 5.686 -2.260 1.00 0.67 N ATOM 1378 CA GLY A 121 5.185 4.824 -1.990 1.00 0.49 C ATOM 1379 C GLY A 121 5.829 5.135 -0.630 1.00 0.43 C ATOM 1380 O GLY A 121 5.492 6.149 -0.023 1.00 0.48 O ATOM 0 H GLY A 121 4.287 6.585 -2.664 1.00 0.67 H new ATOM 0 HA2 GLY A 121 4.874 3.779 -2.014 1.00 0.49 H new ATOM 0 HA3 GLY A 121 5.925 4.954 -2.780 1.00 0.49 H new ATOM 1384 N CYS A 122 6.734 4.297 -0.113 1.00 0.44 N ATOM 1385 CA CYS A 122 7.148 4.382 1.293 1.00 0.43 C ATOM 1386 C CYS A 122 7.921 5.642 1.735 1.00 0.51 C ATOM 1387 O CYS A 122 7.898 5.984 2.920 1.00 0.71 O ATOM 1388 CB CYS A 122 7.886 3.097 1.668 1.00 0.43 C ATOM 1389 SG CYS A 122 7.766 2.941 3.464 1.00 0.63 S ATOM 0 H CYS A 122 7.192 3.556 -0.643 1.00 0.44 H new ATOM 0 HA CYS A 122 6.221 4.490 1.856 1.00 0.43 H new ATOM 0 HB2 CYS A 122 7.439 2.235 1.173 1.00 0.43 H new ATOM 0 HB3 CYS A 122 8.928 3.142 1.351 1.00 0.43 H new ATOM 0 HG CYS A 122 8.073 1.728 3.816 1.00 0.63 H new ATOM 1395 N ASP A 123 8.558 6.377 0.825 1.00 0.52 N ATOM 1396 CA ASP A 123 9.094 7.715 1.155 1.00 0.59 C ATOM 1397 C ASP A 123 7.995 8.788 1.190 1.00 0.59 C ATOM 1398 O ASP A 123 8.020 9.680 2.039 1.00 0.77 O ATOM 1399 CB ASP A 123 10.200 8.130 0.181 1.00 0.80 C ATOM 1400 CG ASP A 123 11.436 7.245 0.300 1.00 1.85 C ATOM 1401 OD1 ASP A 123 12.075 7.242 1.378 1.00 2.94 O ATOM 1402 OD2 ASP A 123 11.787 6.556 -0.688 1.00 3.14 O ATOM 0 H ASP A 123 8.719 6.082 -0.138 1.00 0.52 H new ATOM 0 HA ASP A 123 9.519 7.638 2.156 1.00 0.59 H new ATOM 0 HB2 ASP A 123 9.819 8.084 -0.839 1.00 0.80 H new ATOM 0 HB3 ASP A 123 10.478 9.167 0.371 1.00 0.80 H new ATOM 1407 N ILE A 124 6.999 8.670 0.307 1.00 0.51 N ATOM 1408 CA ILE A 124 5.849 9.585 0.190 1.00 0.49 C ATOM 1409 C ILE A 124 4.887 9.399 1.360 1.00 0.42 C ATOM 1410 O ILE A 124 4.456 10.372 1.977 1.00 0.43 O ATOM 1411 CB ILE A 124 5.142 9.359 -1.154 1.00 0.51 C ATOM 1412 CG1 ILE A 124 6.079 9.651 -2.337 1.00 0.59 C ATOM 1413 CG2 ILE A 124 3.853 10.186 -1.266 1.00 0.49 C ATOM 1414 CD1 ILE A 124 6.655 11.070 -2.423 1.00 1.27 C ATOM 0 H ILE A 124 6.966 7.910 -0.372 1.00 0.51 H new ATOM 0 HA ILE A 124 6.208 10.614 0.224 1.00 0.49 H new ATOM 0 HB ILE A 124 4.865 8.306 -1.193 1.00 0.51 H new ATOM 0 HG12 ILE A 124 6.911 8.948 -2.294 1.00 0.59 H new ATOM 0 HG13 ILE A 124 5.536 9.447 -3.260 1.00 0.59 H new ATOM 0 HG21 ILE A 124 3.383 9.998 -2.231 1.00 0.49 H new ATOM 0 HG22 ILE A 124 3.168 9.902 -0.467 1.00 0.49 H new ATOM 0 HG23 ILE A 124 4.092 11.246 -1.179 1.00 0.49 H new ATOM 0 HD11 ILE A 124 7.299 11.149 -3.299 1.00 1.27 H new ATOM 0 HD12 ILE A 124 5.840 11.789 -2.506 1.00 1.27 H new ATOM 0 HD13 ILE A 124 7.236 11.282 -1.525 1.00 1.27 H new ATOM 1426 N LEU A 125 4.602 8.149 1.723 1.00 0.38 N ATOM 1427 CA LEU A 125 3.770 7.803 2.875 1.00 0.33 C ATOM 1428 C LEU A 125 4.345 8.386 4.181 1.00 0.36 C ATOM 1429 O LEU A 125 3.583 8.808 5.046 1.00 0.39 O ATOM 1430 CB LEU A 125 3.603 6.266 2.945 1.00 0.29 C ATOM 1431 CG LEU A 125 2.176 5.857 3.351 1.00 0.54 C ATOM 1432 CD1 LEU A 125 1.202 6.015 2.177 1.00 0.82 C ATOM 1433 CD2 LEU A 125 2.109 4.398 3.794 1.00 0.65 C ATOM 0 H LEU A 125 4.949 7.334 1.216 1.00 0.38 H new ATOM 0 HA LEU A 125 2.784 8.250 2.751 1.00 0.33 H new ATOM 0 HB2 LEU A 125 3.842 5.831 1.974 1.00 0.29 H new ATOM 0 HB3 LEU A 125 4.315 5.857 3.662 1.00 0.29 H new ATOM 0 HG LEU A 125 1.899 6.513 4.176 1.00 0.54 H new ATOM 0 HD11 LEU A 125 0.201 5.719 2.492 1.00 0.82 H new ATOM 0 HD12 LEU A 125 1.188 7.056 1.854 1.00 0.82 H new ATOM 0 HD13 LEU A 125 1.524 5.383 1.350 1.00 0.82 H new ATOM 0 HD21 LEU A 125 1.085 4.149 4.072 1.00 0.65 H new ATOM 0 HD22 LEU A 125 2.429 3.754 2.975 1.00 0.65 H new ATOM 0 HD23 LEU A 125 2.765 4.248 4.652 1.00 0.65 H new ATOM 1445 N LEU A 126 5.676 8.504 4.275 1.00 0.39 N ATOM 1446 CA LEU A 126 6.390 9.112 5.407 1.00 0.46 C ATOM 1447 C LEU A 126 6.219 10.640 5.474 1.00 0.53 C ATOM 1448 O LEU A 126 6.398 11.238 6.530 1.00 0.72 O ATOM 1449 CB LEU A 126 7.886 8.720 5.340 1.00 0.53 C ATOM 1450 CG LEU A 126 8.495 8.119 6.622 1.00 0.63 C ATOM 1451 CD1 LEU A 126 8.416 9.051 7.829 1.00 0.76 C ATOM 1452 CD2 LEU A 126 7.823 6.802 7.007 1.00 0.70 C ATOM 0 H LEU A 126 6.305 8.170 3.545 1.00 0.39 H new ATOM 0 HA LEU A 126 5.949 8.723 6.325 1.00 0.46 H new ATOM 0 HB2 LEU A 126 8.015 8.001 4.531 1.00 0.53 H new ATOM 0 HB3 LEU A 126 8.460 9.607 5.072 1.00 0.53 H new ATOM 0 HG LEU A 126 9.543 7.955 6.373 1.00 0.63 H new ATOM 0 HD11 LEU A 126 8.863 8.563 8.695 1.00 0.76 H new ATOM 0 HD12 LEU A 126 8.956 9.973 7.613 1.00 0.76 H new ATOM 0 HD13 LEU A 126 7.372 9.283 8.042 1.00 0.76 H new ATOM 0 HD21 LEU A 126 8.281 6.412 7.916 1.00 0.70 H new ATOM 0 HD22 LEU A 126 6.761 6.973 7.181 1.00 0.70 H new ATOM 0 HD23 LEU A 126 7.947 6.081 6.199 1.00 0.70 H new ATOM 1464 N GLN A 127 5.827 11.286 4.376 1.00 0.48 N ATOM 1465 CA GLN A 127 5.368 12.671 4.374 1.00 0.53 C ATOM 1466 C GLN A 127 3.879 12.731 4.735 1.00 0.51 C ATOM 1467 O GLN A 127 3.466 13.363 5.709 1.00 0.59 O ATOM 1468 CB GLN A 127 5.603 13.268 2.979 1.00 0.58 C ATOM 1469 CG GLN A 127 6.955 12.919 2.337 1.00 0.64 C ATOM 1470 CD GLN A 127 8.152 13.065 3.271 1.00 0.70 C ATOM 1471 OE1 GLN A 127 8.394 14.109 3.864 1.00 0.82 O ATOM 1472 NE2 GLN A 127 8.921 12.017 3.461 1.00 0.70 N ATOM 0 H GLN A 127 5.820 10.855 3.452 1.00 0.48 H new ATOM 0 HA GLN A 127 5.923 13.246 5.115 1.00 0.53 H new ATOM 0 HB2 GLN A 127 4.806 12.928 2.317 1.00 0.58 H new ATOM 0 HB3 GLN A 127 5.520 14.353 3.047 1.00 0.58 H new ATOM 0 HG2 GLN A 127 6.916 11.892 1.973 1.00 0.64 H new ATOM 0 HG3 GLN A 127 7.107 13.559 1.468 1.00 0.64 H new ATOM 0 HE21 GLN A 127 8.725 11.145 2.970 1.00 0.70 H new ATOM 0 HE22 GLN A 127 9.714 12.076 4.099 1.00 0.70 H new ATOM 1481 N MET A 128 3.060 12.002 3.972 1.00 0.43 N ATOM 1482 CA MET A 128 1.610 12.102 3.993 1.00 0.41 C ATOM 1483 C MET A 128 0.974 11.641 5.302 1.00 0.41 C ATOM 1484 O MET A 128 -0.062 12.176 5.690 1.00 0.44 O ATOM 1485 CB MET A 128 1.076 11.247 2.855 1.00 0.37 C ATOM 1486 CG MET A 128 1.419 11.803 1.474 1.00 0.41 C ATOM 1487 SD MET A 128 0.608 10.897 0.142 1.00 0.45 S ATOM 1488 CE MET A 128 -1.063 11.508 0.425 1.00 0.44 C ATOM 0 H MET A 128 3.403 11.309 3.307 1.00 0.43 H new ATOM 0 HA MET A 128 1.351 13.155 3.886 1.00 0.41 H new ATOM 0 HB2 MET A 128 1.481 10.239 2.945 1.00 0.37 H new ATOM 0 HB3 MET A 128 -0.007 11.165 2.948 1.00 0.37 H new ATOM 0 HG2 MET A 128 1.127 12.852 1.426 1.00 0.41 H new ATOM 0 HG3 MET A 128 2.499 11.766 1.329 1.00 0.41 H new ATOM 0 HE1 MET A 128 -1.783 10.736 0.155 1.00 0.44 H new ATOM 0 HE2 MET A 128 -1.183 11.764 1.478 1.00 0.44 H new ATOM 0 HE3 MET A 128 -1.235 12.394 -0.186 1.00 0.44 H new ATOM 1498 N HIS A 129 1.591 10.684 5.998 1.00 0.40 N ATOM 1499 CA HIS A 129 1.178 10.271 7.358 1.00 0.44 C ATOM 1500 C HIS A 129 1.134 11.452 8.317 1.00 0.54 C ATOM 1501 O HIS A 129 0.264 11.576 9.175 1.00 0.64 O ATOM 1502 CB HIS A 129 2.204 9.308 7.945 1.00 0.47 C ATOM 1503 CG HIS A 129 1.845 8.724 9.287 1.00 0.51 C ATOM 1504 ND1 HIS A 129 0.662 8.148 9.695 1.00 0.51 N ATOM 1505 CD2 HIS A 129 2.693 8.674 10.352 1.00 0.59 C ATOM 1506 CE1 HIS A 129 0.830 7.694 10.947 1.00 0.59 C ATOM 1507 NE2 HIS A 129 2.052 8.016 11.410 1.00 0.64 N ATOM 0 H HIS A 129 2.394 10.167 5.641 1.00 0.40 H new ATOM 0 HA HIS A 129 0.192 9.819 7.255 1.00 0.44 H new ATOM 0 HB2 HIS A 129 2.355 8.490 7.240 1.00 0.47 H new ATOM 0 HB3 HIS A 129 3.157 9.830 8.037 1.00 0.47 H new ATOM 0 HD2 HIS A 129 3.695 9.076 10.377 1.00 0.59 H new ATOM 0 HE1 HIS A 129 0.086 7.145 11.506 1.00 0.59 H new ATOM 0 HE2 HIS A 129 2.432 7.822 12.337 1.00 0.64 H new ATOM 1515 N GLN A 130 2.184 12.248 8.195 1.00 0.56 N ATOM 1516 CA GLN A 130 2.672 13.148 9.215 1.00 0.66 C ATOM 1517 C GLN A 130 2.084 14.556 8.996 1.00 0.73 C ATOM 1518 O GLN A 130 1.608 15.199 9.934 1.00 1.02 O ATOM 1519 CB GLN A 130 4.200 13.004 9.198 1.00 0.69 C ATOM 1520 CG GLN A 130 4.668 11.552 9.282 1.00 0.67 C ATOM 1521 CD GLN A 130 6.043 11.380 9.914 1.00 0.77 C ATOM 1522 OE1 GLN A 130 6.197 10.898 11.026 1.00 1.02 O ATOM 1523 NE2 GLN A 130 7.095 11.730 9.222 1.00 0.75 N ATOM 0 H GLN A 130 2.741 12.282 7.341 1.00 0.56 H new ATOM 0 HA GLN A 130 2.346 12.916 10.229 1.00 0.66 H new ATOM 0 HB2 GLN A 130 4.591 13.453 8.285 1.00 0.69 H new ATOM 0 HB3 GLN A 130 4.621 13.564 10.033 1.00 0.69 H new ATOM 0 HG2 GLN A 130 3.941 10.979 9.857 1.00 0.67 H new ATOM 0 HG3 GLN A 130 4.685 11.128 8.278 1.00 0.67 H new ATOM 0 HE21 GLN A 130 6.983 12.134 8.292 1.00 0.75 H new ATOM 0 HE22 GLN A 130 8.028 11.599 9.612 1.00 0.75 H new ATOM 1532 N ASN A 131 1.966 14.945 7.719 1.00 0.60 N ATOM 1533 CA ASN A 131 1.138 16.037 7.198 1.00 0.61 C ATOM 1534 C ASN A 131 -0.376 15.713 7.240 1.00 0.59 C ATOM 1535 O ASN A 131 -1.203 16.622 7.352 1.00 0.70 O ATOM 1536 CB ASN A 131 1.669 16.345 5.803 1.00 0.67 C ATOM 1537 CG ASN A 131 0.806 17.337 5.062 1.00 0.96 C ATOM 1538 OD1 ASN A 131 0.307 18.330 5.578 1.00 2.19 O ATOM 1539 ND2 ASN A 131 0.527 17.040 3.831 1.00 0.97 N ATOM 0 H ASN A 131 2.481 14.473 6.975 1.00 0.60 H new ATOM 0 HA ASN A 131 1.214 16.924 7.827 1.00 0.61 H new ATOM 0 HB2 ASN A 131 2.683 16.738 5.882 1.00 0.67 H new ATOM 0 HB3 ASN A 131 1.730 15.421 5.229 1.00 0.67 H new ATOM 0 HD21 ASN A 131 -0.107 17.633 3.294 1.00 0.97 H new ATOM 0 HD22 ASN A 131 0.941 16.214 3.399 1.00 0.97 H new ATOM 1546 N GLY A 132 -0.772 14.437 7.198 1.00 0.53 N ATOM 1547 CA GLY A 132 -2.164 14.026 7.406 1.00 0.51 C ATOM 1548 C GLY A 132 -2.965 13.938 6.106 1.00 0.49 C ATOM 1549 O GLY A 132 -4.187 13.804 6.132 1.00 0.52 O ATOM 0 H GLY A 132 -0.136 13.660 7.019 1.00 0.53 H new ATOM 0 HA2 GLY A 132 -2.180 13.055 7.902 1.00 0.51 H new ATOM 0 HA3 GLY A 132 -2.649 14.735 8.077 1.00 0.51 H new ATOM 1553 N ASP A 133 -2.289 13.948 4.958 1.00 0.51 N ATOM 1554 CA ASP A 133 -2.905 13.793 3.637 1.00 0.56 C ATOM 1555 C ASP A 133 -3.416 12.355 3.399 1.00 0.51 C ATOM 1556 O ASP A 133 -4.181 12.125 2.461 1.00 0.60 O ATOM 1557 CB ASP A 133 -1.916 14.255 2.547 1.00 0.66 C ATOM 1558 CG ASP A 133 -1.860 15.769 2.327 1.00 1.09 C ATOM 1559 OD1 ASP A 133 -2.534 16.545 3.046 1.00 1.87 O ATOM 1560 OD2 ASP A 133 -1.137 16.214 1.403 1.00 2.22 O ATOM 0 H ASP A 133 -1.277 14.066 4.917 1.00 0.51 H new ATOM 0 HA ASP A 133 -3.789 14.429 3.588 1.00 0.56 H new ATOM 0 HB2 ASP A 133 -0.918 13.904 2.810 1.00 0.66 H new ATOM 0 HB3 ASP A 133 -2.185 13.776 1.606 1.00 0.66 H new ATOM 1565 N LEU A 134 -3.062 11.389 4.265 1.00 0.39 N ATOM 1566 CA LEU A 134 -3.645 10.039 4.225 1.00 0.32 C ATOM 1567 C LEU A 134 -5.025 10.033 4.872 1.00 0.33 C ATOM 1568 O LEU A 134 -5.885 9.226 4.548 1.00 0.35 O ATOM 1569 CB LEU A 134 -2.772 9.025 4.989 1.00 0.30 C ATOM 1570 CG LEU A 134 -1.317 8.931 4.533 1.00 0.31 C ATOM 1571 CD1 LEU A 134 -0.582 7.846 5.312 1.00 0.34 C ATOM 1572 CD2 LEU A 134 -1.183 8.645 3.045 1.00 0.33 C ATOM 0 H LEU A 134 -2.371 11.521 5.004 1.00 0.39 H new ATOM 0 HA LEU A 134 -3.709 9.756 3.174 1.00 0.32 H new ATOM 0 HB2 LEU A 134 -2.786 9.285 6.047 1.00 0.30 H new ATOM 0 HB3 LEU A 134 -3.227 8.039 4.897 1.00 0.30 H new ATOM 0 HG LEU A 134 -0.872 9.907 4.729 1.00 0.31 H new ATOM 0 HD11 LEU A 134 0.453 7.793 4.974 1.00 0.34 H new ATOM 0 HD12 LEU A 134 -0.605 8.083 6.376 1.00 0.34 H new ATOM 0 HD13 LEU A 134 -1.068 6.885 5.144 1.00 0.34 H new ATOM 0 HD21 LEU A 134 -0.127 8.589 2.779 1.00 0.33 H new ATOM 0 HD22 LEU A 134 -1.667 7.696 2.812 1.00 0.33 H new ATOM 0 HD23 LEU A 134 -1.659 9.444 2.477 1.00 0.33 H new ATOM 1584 N VAL A 135 -5.213 10.941 5.821 1.00 0.37 N ATOM 1585 CA VAL A 135 -6.376 11.021 6.692 1.00 0.38 C ATOM 1586 C VAL A 135 -7.554 11.600 5.919 1.00 0.47 C ATOM 1587 O VAL A 135 -8.674 11.128 6.074 1.00 0.53 O ATOM 1588 CB VAL A 135 -6.042 11.881 7.910 1.00 0.39 C ATOM 1589 CG1 VAL A 135 -7.047 11.610 9.006 1.00 0.38 C ATOM 1590 CG2 VAL A 135 -4.703 11.447 8.500 1.00 0.40 C ATOM 0 H VAL A 135 -4.529 11.673 6.012 1.00 0.37 H new ATOM 0 HA VAL A 135 -6.650 10.025 7.039 1.00 0.38 H new ATOM 0 HB VAL A 135 -6.036 12.923 7.591 1.00 0.39 H new ATOM 0 HG11 VAL A 135 -6.811 12.223 9.876 1.00 0.38 H new ATOM 0 HG12 VAL A 135 -8.048 11.855 8.651 1.00 0.38 H new ATOM 0 HG13 VAL A 135 -7.008 10.556 9.283 1.00 0.38 H new ATOM 0 HG21 VAL A 135 -4.471 12.064 9.368 1.00 0.40 H new ATOM 0 HG22 VAL A 135 -4.761 10.402 8.803 1.00 0.40 H new ATOM 0 HG23 VAL A 135 -3.920 11.565 7.751 1.00 0.40 H new ATOM 1600 N GLU A 136 -7.286 12.554 5.020 1.00 0.53 N ATOM 1601 CA GLU A 136 -8.275 13.095 4.082 1.00 0.61 C ATOM 1602 C GLU A 136 -8.636 12.048 3.026 1.00 0.60 C ATOM 1603 O GLU A 136 -9.807 11.857 2.728 1.00 0.67 O ATOM 1604 CB GLU A 136 -7.754 14.375 3.405 1.00 0.71 C ATOM 1605 CG GLU A 136 -7.191 15.420 4.376 1.00 1.19 C ATOM 1606 CD GLU A 136 -8.184 15.819 5.479 1.00 1.64 C ATOM 1607 OE1 GLU A 136 -9.080 16.660 5.231 1.00 2.31 O ATOM 1608 OE2 GLU A 136 -8.061 15.305 6.614 1.00 2.62 O ATOM 0 H GLU A 136 -6.363 12.977 4.923 1.00 0.53 H new ATOM 0 HA GLU A 136 -9.171 13.350 4.648 1.00 0.61 H new ATOM 0 HB2 GLU A 136 -6.976 14.103 2.691 1.00 0.71 H new ATOM 0 HB3 GLU A 136 -8.566 14.826 2.835 1.00 0.71 H new ATOM 0 HG2 GLU A 136 -6.285 15.027 4.837 1.00 1.19 H new ATOM 0 HG3 GLU A 136 -6.904 16.310 3.816 1.00 1.19 H new ATOM 1615 N GLU A 137 -7.650 11.299 2.528 1.00 0.57 N ATOM 1616 CA GLU A 137 -7.882 10.156 1.630 1.00 0.58 C ATOM 1617 C GLU A 137 -8.750 9.065 2.300 1.00 0.59 C ATOM 1618 O GLU A 137 -9.682 8.546 1.686 1.00 0.70 O ATOM 1619 CB GLU A 137 -6.518 9.604 1.174 1.00 0.55 C ATOM 1620 CG GLU A 137 -6.551 8.897 -0.189 1.00 0.73 C ATOM 1621 CD GLU A 137 -6.679 9.868 -1.374 1.00 0.68 C ATOM 1622 OE1 GLU A 137 -5.790 10.736 -1.561 1.00 2.22 O ATOM 1623 OE2 GLU A 137 -7.667 9.763 -2.142 1.00 1.72 O ATOM 0 H GLU A 137 -6.665 11.465 2.734 1.00 0.57 H new ATOM 0 HA GLU A 137 -8.444 10.491 0.758 1.00 0.58 H new ATOM 0 HB2 GLU A 137 -5.803 10.425 1.128 1.00 0.55 H new ATOM 0 HB3 GLU A 137 -6.152 8.904 1.925 1.00 0.55 H new ATOM 0 HG2 GLU A 137 -5.641 8.308 -0.307 1.00 0.73 H new ATOM 0 HG3 GLU A 137 -7.388 8.199 -0.208 1.00 0.73 H new ATOM 1630 N LEU A 138 -8.524 8.780 3.591 1.00 0.54 N ATOM 1631 CA LEU A 138 -9.374 7.896 4.396 1.00 0.58 C ATOM 1632 C LEU A 138 -10.783 8.485 4.595 1.00 0.69 C ATOM 1633 O LEU A 138 -11.762 7.779 4.363 1.00 0.80 O ATOM 1634 CB LEU A 138 -8.683 7.594 5.741 1.00 0.48 C ATOM 1635 CG LEU A 138 -7.508 6.598 5.667 1.00 0.43 C ATOM 1636 CD1 LEU A 138 -6.711 6.637 6.973 1.00 0.42 C ATOM 1637 CD2 LEU A 138 -7.985 5.159 5.464 1.00 0.51 C ATOM 0 H LEU A 138 -7.734 9.163 4.111 1.00 0.54 H new ATOM 0 HA LEU A 138 -9.508 6.958 3.858 1.00 0.58 H new ATOM 0 HB2 LEU A 138 -8.318 8.531 6.162 1.00 0.48 H new ATOM 0 HB3 LEU A 138 -9.428 7.202 6.434 1.00 0.48 H new ATOM 0 HG LEU A 138 -6.896 6.896 4.816 1.00 0.43 H new ATOM 0 HD11 LEU A 138 -5.882 5.931 6.915 1.00 0.42 H new ATOM 0 HD12 LEU A 138 -6.321 7.642 7.131 1.00 0.42 H new ATOM 0 HD13 LEU A 138 -7.361 6.365 7.804 1.00 0.42 H new ATOM 0 HD21 LEU A 138 -7.123 4.493 5.418 1.00 0.51 H new ATOM 0 HD22 LEU A 138 -8.625 4.867 6.297 1.00 0.51 H new ATOM 0 HD23 LEU A 138 -8.547 5.090 4.533 1.00 0.51 H new ATOM 1649 N LYS A 139 -10.915 9.781 4.930 1.00 0.72 N ATOM 1650 CA LYS A 139 -12.216 10.476 5.051 1.00 0.87 C ATOM 1651 C LYS A 139 -12.992 10.480 3.726 1.00 1.04 C ATOM 1652 O LYS A 139 -14.214 10.324 3.744 1.00 1.11 O ATOM 1653 CB LYS A 139 -12.021 11.926 5.533 1.00 0.99 C ATOM 1654 CG LYS A 139 -11.562 12.104 6.993 1.00 0.98 C ATOM 1655 CD LYS A 139 -11.081 13.551 7.184 1.00 1.09 C ATOM 1656 CE LYS A 139 -10.356 13.847 8.498 1.00 1.12 C ATOM 1657 NZ LYS A 139 -10.033 15.293 8.540 1.00 1.29 N ATOM 0 H LYS A 139 -10.116 10.384 5.127 1.00 0.72 H new ATOM 0 HA LYS A 139 -12.799 9.923 5.787 1.00 0.87 H new ATOM 0 HB2 LYS A 139 -11.290 12.407 4.883 1.00 0.99 H new ATOM 0 HB3 LYS A 139 -12.963 12.459 5.403 1.00 0.99 H new ATOM 0 HG2 LYS A 139 -12.382 11.885 7.677 1.00 0.98 H new ATOM 0 HG3 LYS A 139 -10.759 11.405 7.225 1.00 0.98 H new ATOM 0 HD2 LYS A 139 -10.415 13.804 6.359 1.00 1.09 H new ATOM 0 HD3 LYS A 139 -11.944 14.213 7.111 1.00 1.09 H new ATOM 0 HE2 LYS A 139 -10.983 13.574 9.347 1.00 1.12 H new ATOM 0 HE3 LYS A 139 -9.445 13.253 8.570 1.00 1.12 H new ATOM 0 HZ1 LYS A 139 -9.554 15.516 9.436 1.00 1.29 H new ATOM 0 HZ2 LYS A 139 -9.408 15.532 7.744 1.00 1.29 H new ATOM 0 HZ3 LYS A 139 -10.910 15.847 8.470 1.00 1.29 H new ATOM 1671 N LYS A 140 -12.310 10.564 2.576 1.00 1.17 N ATOM 1672 CA LYS A 140 -12.903 10.425 1.232 1.00 1.37 C ATOM 1673 C LYS A 140 -13.357 8.990 0.922 1.00 1.38 C ATOM 1674 O LYS A 140 -14.337 8.827 0.196 1.00 1.50 O ATOM 1675 CB LYS A 140 -11.932 10.961 0.166 1.00 1.70 C ATOM 1676 CG LYS A 140 -11.788 12.495 0.214 1.00 1.93 C ATOM 1677 CD LYS A 140 -10.744 12.991 -0.797 1.00 2.26 C ATOM 1678 CE LYS A 140 -10.424 14.487 -0.651 1.00 3.38 C ATOM 1679 NZ LYS A 140 -11.624 15.346 -0.795 1.00 4.87 N ATOM 0 H LYS A 140 -11.305 10.735 2.550 1.00 1.17 H new ATOM 0 HA LYS A 140 -13.810 11.029 1.212 1.00 1.37 H new ATOM 0 HB2 LYS A 140 -10.953 10.503 0.308 1.00 1.70 H new ATOM 0 HB3 LYS A 140 -12.283 10.663 -0.822 1.00 1.70 H new ATOM 0 HG2 LYS A 140 -12.751 12.959 0.002 1.00 1.93 H new ATOM 0 HG3 LYS A 140 -11.499 12.804 1.219 1.00 1.93 H new ATOM 0 HD2 LYS A 140 -9.826 12.416 -0.674 1.00 2.26 H new ATOM 0 HD3 LYS A 140 -11.106 12.800 -1.807 1.00 2.26 H new ATOM 0 HE2 LYS A 140 -9.971 14.664 0.324 1.00 3.38 H new ATOM 0 HE3 LYS A 140 -9.686 14.771 -1.402 1.00 3.38 H new ATOM 0 HZ1 LYS A 140 -11.346 16.346 -0.722 1.00 4.87 H new ATOM 0 HZ2 LYS A 140 -12.064 15.176 -1.722 1.00 4.87 H new ATOM 0 HZ3 LYS A 140 -12.305 15.120 -0.042 1.00 4.87 H new ATOM 1693 N LEU A 141 -12.752 7.968 1.538 1.00 1.29 N ATOM 1694 CA LEU A 141 -13.290 6.594 1.616 1.00 1.29 C ATOM 1695 C LEU A 141 -14.431 6.434 2.651 1.00 1.30 C ATOM 1696 O LEU A 141 -15.094 5.394 2.688 1.00 1.43 O ATOM 1697 CB LEU A 141 -12.142 5.606 1.945 1.00 1.15 C ATOM 1698 CG LEU A 141 -11.615 4.738 0.790 1.00 0.82 C ATOM 1699 CD1 LEU A 141 -12.714 3.906 0.130 1.00 1.35 C ATOM 1700 CD2 LEU A 141 -10.868 5.587 -0.232 1.00 1.52 C ATOM 0 H LEU A 141 -11.853 8.070 2.009 1.00 1.29 H new ATOM 0 HA LEU A 141 -13.724 6.371 0.641 1.00 1.29 H new ATOM 0 HB2 LEU A 141 -11.306 6.179 2.346 1.00 1.15 H new ATOM 0 HB3 LEU A 141 -12.484 4.942 2.739 1.00 1.15 H new ATOM 0 HG LEU A 141 -10.911 4.027 1.223 1.00 0.82 H new ATOM 0 HD11 LEU A 141 -12.286 3.313 -0.678 1.00 1.35 H new ATOM 0 HD12 LEU A 141 -13.161 3.242 0.870 1.00 1.35 H new ATOM 0 HD13 LEU A 141 -13.480 4.569 -0.273 1.00 1.35 H new ATOM 0 HD21 LEU A 141 -10.505 4.950 -1.039 1.00 1.52 H new ATOM 0 HD22 LEU A 141 -11.541 6.341 -0.640 1.00 1.52 H new ATOM 0 HD23 LEU A 141 -10.023 6.078 0.251 1.00 1.52 H new ATOM 1712 N GLY A 142 -14.638 7.427 3.517 1.00 1.21 N ATOM 1713 CA GLY A 142 -15.502 7.372 4.702 1.00 1.21 C ATOM 1714 C GLY A 142 -14.828 6.786 5.954 1.00 1.14 C ATOM 1715 O GLY A 142 -15.394 6.886 7.043 1.00 1.43 O ATOM 0 H GLY A 142 -14.187 8.336 3.408 1.00 1.21 H new ATOM 0 HA2 GLY A 142 -15.850 8.380 4.930 1.00 1.21 H new ATOM 0 HA3 GLY A 142 -16.384 6.776 4.466 1.00 1.21 H new ATOM 1719 N ILE A 143 -13.617 6.223 5.841 1.00 0.85 N ATOM 1720 CA ILE A 143 -12.893 5.621 6.966 1.00 0.80 C ATOM 1721 C ILE A 143 -12.401 6.689 7.951 1.00 0.75 C ATOM 1722 O ILE A 143 -11.780 7.693 7.594 1.00 0.69 O ATOM 1723 CB ILE A 143 -11.718 4.709 6.522 1.00 0.69 C ATOM 1724 CG1 ILE A 143 -12.146 3.573 5.561 1.00 0.73 C ATOM 1725 CG2 ILE A 143 -11.077 4.114 7.796 1.00 0.73 C ATOM 1726 CD1 ILE A 143 -10.974 2.841 4.870 1.00 0.68 C ATOM 0 H ILE A 143 -13.109 6.173 4.958 1.00 0.85 H new ATOM 0 HA ILE A 143 -13.614 4.980 7.473 1.00 0.80 H new ATOM 0 HB ILE A 143 -11.009 5.318 5.961 1.00 0.69 H new ATOM 0 HG12 ILE A 143 -12.734 2.844 6.119 1.00 0.73 H new ATOM 0 HG13 ILE A 143 -12.800 3.990 4.795 1.00 0.73 H new ATOM 0 HG21 ILE A 143 -10.246 3.467 7.517 1.00 0.73 H new ATOM 0 HG22 ILE A 143 -10.711 4.921 8.430 1.00 0.73 H new ATOM 0 HG23 ILE A 143 -11.822 3.534 8.341 1.00 0.73 H new ATOM 0 HD11 ILE A 143 -11.366 2.062 4.216 1.00 0.68 H new ATOM 0 HD12 ILE A 143 -10.397 3.553 4.280 1.00 0.68 H new ATOM 0 HD13 ILE A 143 -10.330 2.390 5.626 1.00 0.68 H new ATOM 1738 N HIS A 144 -12.606 6.388 9.227 1.00 0.82 N ATOM 1739 CA HIS A 144 -12.092 7.099 10.386 1.00 0.75 C ATOM 1740 C HIS A 144 -10.718 6.545 10.785 1.00 0.57 C ATOM 1741 O HIS A 144 -10.593 5.417 11.279 1.00 0.73 O ATOM 1742 CB HIS A 144 -13.142 6.886 11.475 1.00 1.02 C ATOM 1743 CG HIS A 144 -13.064 7.812 12.656 1.00 1.11 C ATOM 1744 ND1 HIS A 144 -13.521 9.108 12.719 1.00 1.39 N ATOM 1745 CD2 HIS A 144 -12.643 7.473 13.912 1.00 1.20 C ATOM 1746 CE1 HIS A 144 -13.366 9.549 13.978 1.00 1.47 C ATOM 1747 NE2 HIS A 144 -12.835 8.583 14.749 1.00 1.36 N ATOM 0 H HIS A 144 -13.175 5.585 9.495 1.00 0.82 H new ATOM 0 HA HIS A 144 -11.936 8.161 10.198 1.00 0.75 H new ATOM 0 HB2 HIS A 144 -14.129 6.986 11.024 1.00 1.02 H new ATOM 0 HB3 HIS A 144 -13.059 5.861 11.836 1.00 1.02 H new ATOM 0 HD2 HIS A 144 -12.234 6.518 14.208 1.00 1.20 H new ATOM 0 HE1 HIS A 144 -13.630 10.538 14.322 1.00 1.47 H new ATOM 0 HE2 HIS A 144 -12.616 8.645 15.743 1.00 1.36 H new ATOM 1755 N SER A 145 -9.668 7.342 10.593 1.00 0.40 N ATOM 1756 CA SER A 145 -8.382 7.127 11.251 1.00 0.41 C ATOM 1757 C SER A 145 -8.549 7.079 12.779 1.00 0.48 C ATOM 1758 O SER A 145 -9.348 7.791 13.377 1.00 0.72 O ATOM 1759 CB SER A 145 -7.405 8.222 10.788 1.00 0.42 C ATOM 1760 OG SER A 145 -6.418 8.498 11.765 1.00 0.50 O ATOM 0 H SER A 145 -9.686 8.155 9.977 1.00 0.40 H new ATOM 0 HA SER A 145 -7.968 6.159 10.968 1.00 0.41 H new ATOM 0 HB2 SER A 145 -6.922 7.909 9.862 1.00 0.42 H new ATOM 0 HB3 SER A 145 -7.960 9.133 10.566 1.00 0.42 H new ATOM 0 HG SER A 145 -5.540 8.218 11.431 1.00 0.50 H new ATOM 1766 N ALA A 146 -7.762 6.242 13.438 1.00 0.38 N ATOM 1767 CA ALA A 146 -7.695 6.138 14.894 1.00 0.41 C ATOM 1768 C ALA A 146 -7.015 7.368 15.532 1.00 0.45 C ATOM 1769 O ALA A 146 -7.256 7.673 16.700 1.00 0.64 O ATOM 1770 CB ALA A 146 -6.984 4.829 15.244 1.00 0.41 C ATOM 0 H ALA A 146 -7.132 5.595 12.963 1.00 0.38 H new ATOM 0 HA ALA A 146 -8.703 6.123 15.309 1.00 0.41 H new ATOM 0 HB1 ALA A 146 -6.921 4.728 16.327 1.00 0.41 H new ATOM 0 HB2 ALA A 146 -7.544 3.989 14.833 1.00 0.41 H new ATOM 0 HB3 ALA A 146 -5.979 4.836 14.821 1.00 0.41 H new ATOM 1776 N LEU A 147 -6.210 8.117 14.766 1.00 0.41 N ATOM 1777 CA LEU A 147 -5.500 9.303 15.202 1.00 0.47 C ATOM 1778 C LEU A 147 -6.392 10.562 15.246 1.00 0.56 C ATOM 1779 O LEU A 147 -5.993 11.596 15.792 1.00 0.70 O ATOM 1780 CB LEU A 147 -4.266 9.449 14.301 1.00 0.49 C ATOM 1781 CG LEU A 147 -3.387 8.206 14.078 1.00 0.53 C ATOM 1782 CD1 LEU A 147 -2.082 8.599 13.391 1.00 0.66 C ATOM 1783 CD2 LEU A 147 -3.049 7.506 15.385 1.00 0.60 C ATOM 0 H LEU A 147 -6.036 7.894 13.786 1.00 0.41 H new ATOM 0 HA LEU A 147 -5.182 9.191 16.239 1.00 0.47 H new ATOM 0 HB2 LEU A 147 -4.604 9.799 13.326 1.00 0.49 H new ATOM 0 HB3 LEU A 147 -3.636 10.233 14.721 1.00 0.49 H new ATOM 0 HG LEU A 147 -3.959 7.522 13.451 1.00 0.53 H new ATOM 0 HD11 LEU A 147 -1.469 7.711 13.239 1.00 0.66 H new ATOM 0 HD12 LEU A 147 -2.302 9.057 12.427 1.00 0.66 H new ATOM 0 HD13 LEU A 147 -1.542 9.310 14.016 1.00 0.66 H new ATOM 0 HD21 LEU A 147 -2.427 6.634 15.181 1.00 0.60 H new ATOM 0 HD22 LEU A 147 -2.508 8.193 16.036 1.00 0.60 H new ATOM 0 HD23 LEU A 147 -3.969 7.189 15.876 1.00 0.60 H new ATOM 1795 N LEU A 148 -7.630 10.458 14.740 1.00 0.55 N ATOM 1796 CA LEU A 148 -8.686 11.463 14.877 1.00 0.63 C ATOM 1797 C LEU A 148 -9.078 11.731 16.346 1.00 0.83 C ATOM 1798 O LEU A 148 -9.639 12.784 16.654 1.00 1.12 O ATOM 1799 CB LEU A 148 -9.933 11.021 14.093 1.00 0.68 C ATOM 1800 CG LEU A 148 -9.998 11.602 12.666 1.00 0.93 C ATOM 1801 CD1 LEU A 148 -9.406 10.613 11.728 1.00 2.07 C ATOM 1802 CD2 LEU A 148 -11.391 11.998 12.199 1.00 2.11 C ATOM 0 H LEU A 148 -7.930 9.642 14.206 1.00 0.55 H new ATOM 0 HA LEU A 148 -8.287 12.393 14.472 1.00 0.63 H new ATOM 0 HB2 LEU A 148 -9.950 9.933 14.035 1.00 0.68 H new ATOM 0 HB3 LEU A 148 -10.824 11.325 14.642 1.00 0.68 H new ATOM 0 HG LEU A 148 -9.432 12.534 12.681 1.00 0.93 H new ATOM 0 HD11 LEU A 148 -9.443 11.007 10.712 1.00 2.07 H new ATOM 0 HD12 LEU A 148 -8.369 10.423 12.006 1.00 2.07 H new ATOM 0 HD13 LEU A 148 -9.971 9.682 11.777 1.00 2.07 H new ATOM 0 HD21 LEU A 148 -11.336 12.395 11.186 1.00 2.11 H new ATOM 0 HD22 LEU A 148 -12.041 11.123 12.211 1.00 2.11 H new ATOM 0 HD23 LEU A 148 -11.795 12.760 12.866 1.00 2.11 H new ATOM 1814 N ASP A 149 -8.813 10.770 17.236 1.00 0.96 N ATOM 1815 CA ASP A 149 -9.134 10.800 18.668 1.00 1.41 C ATOM 1816 C ASP A 149 -7.937 10.353 19.533 1.00 1.81 C ATOM 1817 O ASP A 149 -8.067 9.676 20.558 1.00 2.33 O ATOM 1818 CB ASP A 149 -10.394 9.961 18.889 1.00 1.76 C ATOM 1819 CG ASP A 149 -11.051 10.163 20.258 1.00 2.34 C ATOM 1820 OD1 ASP A 149 -10.931 11.261 20.856 1.00 3.23 O ATOM 1821 OD2 ASP A 149 -11.704 9.202 20.744 1.00 2.95 O ATOM 0 H ASP A 149 -8.345 9.905 16.964 1.00 0.96 H new ATOM 0 HA ASP A 149 -9.337 11.821 18.990 1.00 1.41 H new ATOM 0 HB2 ASP A 149 -11.119 10.203 18.112 1.00 1.76 H new ATOM 0 HB3 ASP A 149 -10.140 8.907 18.772 1.00 1.76 H new ATOM 1826 N GLU A 150 -6.732 10.701 19.081 1.00 1.83 N ATOM 1827 CA GLU A 150 -5.440 10.505 19.746 1.00 2.47 C ATOM 1828 C GLU A 150 -4.995 11.746 20.527 1.00 2.83 C ATOM 1829 O GLU A 150 -4.538 12.727 19.899 1.00 3.17 O ATOM 1830 CB GLU A 150 -4.446 10.073 18.662 1.00 2.69 C ATOM 1831 CG GLU A 150 -3.006 9.899 19.134 1.00 3.06 C ATOM 1832 CD GLU A 150 -2.798 8.573 19.876 1.00 3.90 C ATOM 1833 OE1 GLU A 150 -2.499 7.552 19.211 1.00 4.81 O ATOM 1834 OE2 GLU A 150 -2.953 8.526 21.124 1.00 4.52 O ATOM 0 H GLU A 150 -6.624 11.160 18.177 1.00 1.83 H new ATOM 0 HA GLU A 150 -5.508 9.729 20.509 1.00 2.47 H new ATOM 0 HB2 GLU A 150 -4.787 9.131 18.233 1.00 2.69 H new ATOM 0 HB3 GLU A 150 -4.462 10.812 17.861 1.00 2.69 H new ATOM 0 HG2 GLU A 150 -2.336 9.942 18.275 1.00 3.06 H new ATOM 0 HG3 GLU A 150 -2.738 10.727 19.790 1.00 3.06 H new TER 1841 GLU A 150