USER MOD reduce.3.24.130724 H: found=0, std=0, add=1176, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1168 hydrogens (33 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 115 GLN : amide:sc= -1.16 K(o=-0.89,f=-4.6!) USER MOD Set 1.2: A 117 TYR OH : rot 165:sc= 0.262 USER MOD Set 2.1: A 98 ASN : amide:sc= 1.02 K(o=0.96,f=-1.7) USER MOD Set 2.2: A 100 ASN : amide:sc= -0.0577! C(o=0.96!,f=-6.6!) USER MOD Single : A 0 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 SER OG : rot 121:sc= -0.0634 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -1 THR OG1 : rot 180:sc= 0 USER MOD Single : A -4 HIS : no HD1:sc= -0.186 K(o=-0.19,f=-0.85) USER MOD Single : A -5 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD Single : A -6 HIS : no HD1:sc= 0.00163 X(o=0.0016,f=-0.28) USER MOD Single : A -7 HIS : no HD1:sc= 0 K(o=0,f=-1) USER MOD Single : A -8 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD Single : A -9 HIS : no HD1:sc= -0.215 K(o=-0.21,f=-0.98) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -6.39! K(o=-6.4!,f=-0.95) USER MOD Single : A 14 TYR OH : rot 139:sc= 0.112 USER MOD Single : A 16 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00224) USER MOD Single : A 18 MET CE :methyl 140:sc= -2.64 (180deg=-8.02!) USER MOD Single : A 20 LYS NZ :NH3+ 170:sc= 1.05 (180deg=0.631) USER MOD Single : A 21 MET CE :methyl 135:sc= -1.47 (180deg=-6.31!) USER MOD Single : A 24 ASN : amide:sc= -1.8 K(o=-1.8,f=-0.12) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.141) USER MOD Single : A 33 HIS : no HD1:sc= -0.686 K(o=-0.69,f=0.18) USER MOD Single : A 35 ASN : amide:sc= 0.0975 X(o=0.097,f=0) USER MOD Single : A 37 LYS NZ :NH3+ -161:sc= 1.13 (180deg=0.2) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 38:sc= 0.533 USER MOD Single : A 42 GLN : amide:sc= -0.827 X(o=-0.83,f=-1.1) USER MOD Single : A 45 ASN : amide:sc= -0.49 X(o=-0.49,f=-0.68) USER MOD Single : A 46 LYS NZ :NH3+ 151:sc= -0.269 (180deg=-0.995) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.301 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= -0.201 USER MOD Single : A 53 SER OG : rot -39:sc= 1.62 USER MOD Single : A 57 ASN : amide:sc= -2.76 K(o=-2.8,f=-8.1!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -1.91 K(o=-1.9,f=-6.1!) USER MOD Single : A 70 TYR OH : rot 80:sc= 0.163 USER MOD Single : A 71 ASN : amide:sc= -1.29 K(o=-1.3,f=-0.43) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 120:sc= -3.32! USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc=-0.00813 X(o=-0.0081,f=-0.0081) USER MOD Single : A 88 LYS NZ :NH3+ 167:sc= 1.1 (180deg=0.578) USER MOD Single : A 92 LYS NZ :NH3+ -164:sc= 0.841 (180deg=0.646) USER MOD Single : A 94 LYS NZ :NH3+ 157:sc= 1.19 (180deg=1.03) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A -10 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -1.54 X(o=-1.5,f=-1.5) USER MOD Single : A 104 THR OG1 : rot 38:sc= 1.11 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ -130:sc= -0.0806 (180deg=-1.33) USER MOD Single : A 129 LYS NZ :NH3+ -174:sc= 0.633 (180deg=0.56) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 201 OLA O2 : rot 150:sc= -0.0584 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A -10 -44.801 14.622 -7.753 1.00 41.55 N ATOM 2 CA ALA A -10 -43.341 14.837 -7.554 1.00 62.53 C ATOM 3 C ALA A -10 -42.790 13.900 -6.475 1.00 64.32 C ATOM 4 O ALA A -10 -42.606 14.306 -5.325 1.00 33.34 O ATOM 5 CB ALA A -10 -43.066 16.292 -7.193 1.00 3.13 C ATOM 0 H1 ALA A -10 -45.150 15.269 -8.489 1.00 41.55 H new ATOM 0 H2 ALA A -10 -44.970 13.639 -8.047 1.00 41.55 H new ATOM 0 H3 ALA A -10 -45.304 14.808 -6.862 1.00 41.55 H new ATOM 0 HA ALA A -10 -42.831 14.607 -8.490 1.00 62.53 H new ATOM 0 HB1 ALA A -10 -41.995 16.435 -7.050 1.00 3.13 H new ATOM 0 HB2 ALA A -10 -43.415 16.939 -7.998 1.00 3.13 H new ATOM 0 HB3 ALA A -10 -43.592 16.544 -6.272 1.00 3.13 H new ATOM 13 N HIS A -9 -42.534 12.642 -6.853 1.00 45.23 N ATOM 14 CA HIS A -9 -42.009 11.642 -5.916 1.00 2.01 C ATOM 15 C HIS A -9 -41.717 10.310 -6.620 1.00 13.41 C ATOM 16 O HIS A -9 -42.370 9.964 -7.608 1.00 33.13 O ATOM 17 CB HIS A -9 -43.007 11.415 -4.775 1.00 1.42 C ATOM 18 CG HIS A -9 -42.484 10.537 -3.684 1.00 0.42 C ATOM 19 ND1 HIS A -9 -42.556 9.162 -3.727 1.00 24.23 N ATOM 20 CD2 HIS A -9 -41.877 10.844 -2.514 1.00 41.32 C ATOM 21 CE1 HIS A -9 -42.019 8.658 -2.631 1.00 41.11 C ATOM 22 NE2 HIS A -9 -41.599 9.659 -1.879 1.00 52.35 N ATOM 0 H HIS A -9 -42.682 12.293 -7.800 1.00 45.23 H new ATOM 0 HA HIS A -9 -41.072 12.025 -5.512 1.00 2.01 H new ATOM 0 HB2 HIS A -9 -43.286 12.380 -4.351 1.00 1.42 H new ATOM 0 HB3 HIS A -9 -43.916 10.971 -5.182 1.00 1.42 H new ATOM 0 HD2 HIS A -9 -41.653 11.835 -2.148 1.00 41.32 H new ATOM 0 HE1 HIS A -9 -41.937 7.608 -2.391 1.00 41.11 H new ATOM 0 HE2 HIS A -9 -41.142 9.567 -0.972 1.00 52.35 H new ATOM 30 N HIS A -8 -40.739 9.562 -6.091 1.00 40.01 N ATOM 31 CA HIS A -8 -40.358 8.257 -6.647 1.00 51.32 C ATOM 32 C HIS A -8 -39.336 7.556 -5.743 1.00 0.25 C ATOM 33 O HIS A -8 -38.871 8.139 -4.765 1.00 72.14 O ATOM 34 CB HIS A -8 -39.789 8.415 -8.061 1.00 4.02 C ATOM 35 CG HIS A -8 -40.347 7.423 -9.035 1.00 40.21 C ATOM 36 ND1 HIS A -8 -39.706 6.249 -9.365 1.00 71.21 N ATOM 37 CD2 HIS A -8 -41.505 7.425 -9.737 1.00 25.15 C ATOM 38 CE1 HIS A -8 -40.442 5.571 -10.227 1.00 13.51 C ATOM 39 NE2 HIS A -8 -41.541 6.263 -10.469 1.00 4.00 N ATOM 0 H HIS A -8 -40.195 9.841 -5.274 1.00 40.01 H new ATOM 0 HA HIS A -8 -41.255 7.640 -6.699 1.00 51.32 H new ATOM 0 HB2 HIS A -8 -39.997 9.423 -8.419 1.00 4.02 H new ATOM 0 HB3 HIS A -8 -38.705 8.308 -8.024 1.00 4.02 H new ATOM 0 HD2 HIS A -8 -42.260 8.197 -9.724 1.00 25.15 H new ATOM 0 HE1 HIS A -8 -40.189 4.615 -10.660 1.00 13.51 H new ATOM 0 HE2 HIS A -8 -42.294 5.981 -11.097 1.00 4.00 H new ATOM 47 N HIS A -7 -38.994 6.301 -6.068 1.00 0.41 N ATOM 48 CA HIS A -7 -38.032 5.533 -5.266 1.00 40.03 C ATOM 49 C HIS A -7 -37.123 4.658 -6.139 1.00 23.34 C ATOM 50 O HIS A -7 -37.382 4.471 -7.329 1.00 75.22 O ATOM 51 CB HIS A -7 -38.773 4.656 -4.252 1.00 41.13 C ATOM 52 CG HIS A -7 -38.366 4.906 -2.833 1.00 34.40 C ATOM 53 ND1 HIS A -7 -37.072 4.759 -2.382 1.00 44.42 N ATOM 54 CD2 HIS A -7 -39.093 5.296 -1.759 1.00 34.13 C ATOM 55 CE1 HIS A -7 -37.018 5.046 -1.094 1.00 32.30 C ATOM 56 NE2 HIS A -7 -38.232 5.375 -0.692 1.00 25.31 N ATOM 0 H HIS A -7 -39.366 5.800 -6.874 1.00 0.41 H new ATOM 0 HA HIS A -7 -37.400 6.250 -4.742 1.00 40.03 H new ATOM 0 HB2 HIS A -7 -39.845 4.829 -4.350 1.00 41.13 H new ATOM 0 HB3 HIS A -7 -38.596 3.608 -4.493 1.00 41.13 H new ATOM 0 HD2 HIS A -7 -40.152 5.506 -1.744 1.00 34.13 H new ATOM 0 HE1 HIS A -7 -36.133 5.017 -0.476 1.00 32.30 H new ATOM 0 HE2 HIS A -7 -38.489 5.644 0.258 1.00 25.31 H new ATOM 64 N HIS A -6 -36.055 4.124 -5.529 1.00 12.01 N ATOM 65 CA HIS A -6 -35.096 3.263 -6.233 1.00 45.03 C ATOM 66 C HIS A -6 -34.148 2.566 -5.242 1.00 51.21 C ATOM 67 O HIS A -6 -34.261 2.759 -4.028 1.00 55.12 O ATOM 68 CB HIS A -6 -34.288 4.085 -7.244 1.00 74.24 C ATOM 69 CG HIS A -6 -34.192 3.443 -8.595 1.00 31.35 C ATOM 70 ND1 HIS A -6 -33.090 2.729 -9.013 1.00 4.01 N ATOM 71 CD2 HIS A -6 -35.072 3.406 -9.624 1.00 21.22 C ATOM 72 CE1 HIS A -6 -33.293 2.280 -10.238 1.00 11.51 C ATOM 73 NE2 HIS A -6 -34.490 2.677 -10.632 1.00 13.40 N ATOM 0 H HIS A -6 -35.834 4.275 -4.545 1.00 12.01 H new ATOM 0 HA HIS A -6 -35.658 2.496 -6.765 1.00 45.03 H new ATOM 0 HB2 HIS A -6 -34.746 5.069 -7.349 1.00 74.24 H new ATOM 0 HB3 HIS A -6 -33.283 4.242 -6.853 1.00 74.24 H new ATOM 0 HD2 HIS A -6 -36.050 3.865 -9.647 1.00 21.22 H new ATOM 0 HE1 HIS A -6 -32.600 1.690 -10.818 1.00 11.51 H new ATOM 0 HE2 HIS A -6 -34.913 2.475 -11.538 1.00 13.40 H new ATOM 81 N HIS A -5 -33.218 1.751 -5.765 1.00 52.33 N ATOM 82 CA HIS A -5 -32.256 1.024 -4.922 1.00 44.14 C ATOM 83 C HIS A -5 -30.973 0.678 -5.694 1.00 21.10 C ATOM 84 O HIS A -5 -30.904 0.863 -6.910 1.00 13.21 O ATOM 85 CB HIS A -5 -32.895 -0.257 -4.376 1.00 0.53 C ATOM 86 CG HIS A -5 -32.890 -0.336 -2.881 1.00 51.34 C ATOM 87 ND1 HIS A -5 -31.767 -0.651 -2.147 1.00 31.44 N ATOM 88 CD2 HIS A -5 -33.881 -0.136 -1.979 1.00 3.01 C ATOM 89 CE1 HIS A -5 -32.064 -0.642 -0.861 1.00 33.22 C ATOM 90 NE2 HIS A -5 -33.341 -0.332 -0.731 1.00 63.34 N ATOM 0 H HIS A -5 -33.112 1.579 -6.765 1.00 52.33 H new ATOM 0 HA HIS A -5 -31.984 1.678 -4.093 1.00 44.14 H new ATOM 0 HB2 HIS A -5 -33.923 -0.321 -4.732 1.00 0.53 H new ATOM 0 HB3 HIS A -5 -32.364 -1.119 -4.779 1.00 0.53 H new ATOM 0 HD2 HIS A -5 -34.905 0.128 -2.200 1.00 3.01 H new ATOM 0 HE1 HIS A -5 -31.379 -0.852 -0.053 1.00 33.22 H new ATOM 0 HE2 HIS A -5 -33.845 -0.251 0.152 1.00 63.34 H new ATOM 98 N HIS A -4 -29.960 0.170 -4.973 1.00 60.22 N ATOM 99 CA HIS A -4 -28.675 -0.211 -5.585 1.00 43.42 C ATOM 100 C HIS A -4 -27.741 -0.888 -4.567 1.00 73.41 C ATOM 101 O HIS A -4 -28.159 -1.203 -3.450 1.00 45.34 O ATOM 102 CB HIS A -4 -27.982 1.016 -6.183 1.00 61.51 C ATOM 103 CG HIS A -4 -27.845 2.159 -5.224 1.00 42.01 C ATOM 104 ND1 HIS A -4 -27.036 2.111 -4.110 1.00 32.30 N ATOM 105 CD2 HIS A -4 -28.418 3.385 -5.216 1.00 44.41 C ATOM 106 CE1 HIS A -4 -27.116 3.255 -3.457 1.00 62.32 C ATOM 107 NE2 HIS A -4 -27.947 4.047 -4.107 1.00 43.04 N ATOM 0 H HIS A -4 -30.005 0.013 -3.966 1.00 60.22 H new ATOM 0 HA HIS A -4 -28.892 -0.927 -6.378 1.00 43.42 H new ATOM 0 HB2 HIS A -4 -26.991 0.727 -6.534 1.00 61.51 H new ATOM 0 HB3 HIS A -4 -28.544 1.351 -7.055 1.00 61.51 H new ATOM 0 HD2 HIS A -4 -29.115 3.771 -5.945 1.00 44.41 H new ATOM 0 HE1 HIS A -4 -26.591 3.501 -2.546 1.00 62.32 H new ATOM 0 HE2 HIS A -4 -28.199 4.996 -3.832 1.00 43.04 H new ATOM 115 N VAL A -3 -26.473 -1.116 -4.964 1.00 42.54 N ATOM 116 CA VAL A -3 -25.489 -1.763 -4.085 1.00 0.43 C ATOM 117 C VAL A -3 -24.050 -1.633 -4.626 1.00 41.01 C ATOM 118 O VAL A -3 -23.850 -1.402 -5.821 1.00 53.33 O ATOM 119 CB VAL A -3 -25.842 -3.254 -3.894 1.00 20.50 C ATOM 120 CG1 VAL A -3 -25.309 -4.103 -5.043 1.00 1.30 C ATOM 121 CG2 VAL A -3 -25.329 -3.765 -2.556 1.00 12.22 C ATOM 0 H VAL A -3 -26.111 -0.862 -5.883 1.00 42.54 H new ATOM 0 HA VAL A -3 -25.529 -1.249 -3.124 1.00 0.43 H new ATOM 0 HB VAL A -3 -26.929 -3.341 -3.897 1.00 20.50 H new ATOM 0 HG11 VAL A -3 -25.575 -5.147 -4.878 1.00 1.30 H new ATOM 0 HG12 VAL A -3 -25.746 -3.761 -5.981 1.00 1.30 H new ATOM 0 HG13 VAL A -3 -24.224 -4.008 -5.093 1.00 1.30 H new ATOM 0 HG21 VAL A -3 -25.590 -4.817 -2.444 1.00 12.22 H new ATOM 0 HG22 VAL A -3 -24.246 -3.653 -2.515 1.00 12.22 H new ATOM 0 HG23 VAL A -3 -25.784 -3.191 -1.749 1.00 12.22 H new ATOM 131 N GLY A -2 -23.053 -1.791 -3.735 1.00 51.43 N ATOM 132 CA GLY A -2 -21.653 -1.697 -4.133 1.00 1.55 C ATOM 133 C GLY A -2 -20.814 -2.848 -3.587 1.00 54.31 C ATOM 134 O GLY A -2 -21.311 -3.965 -3.480 1.00 13.10 O ATOM 0 H GLY A -2 -23.199 -1.983 -2.744 1.00 51.43 H new ATOM 0 HA2 GLY A -2 -21.587 -1.688 -5.221 1.00 1.55 H new ATOM 0 HA3 GLY A -2 -21.241 -0.752 -3.781 1.00 1.55 H new ATOM 138 N THR A -1 -19.546 -2.554 -3.234 1.00 4.01 N ATOM 139 CA THR A -1 -18.591 -3.535 -2.682 1.00 63.24 C ATOM 140 C THR A -1 -17.167 -3.245 -3.185 1.00 75.34 C ATOM 141 O THR A -1 -16.875 -3.386 -4.374 1.00 13.20 O ATOM 142 CB THR A -1 -18.971 -4.990 -3.019 1.00 5.43 C ATOM 143 OG1 THR A -1 -18.093 -5.897 -2.377 1.00 71.24 O ATOM 144 CG2 THR A -1 -18.948 -5.302 -4.502 1.00 73.13 C ATOM 0 H THR A -1 -19.152 -1.617 -3.326 1.00 4.01 H new ATOM 0 HA THR A -1 -18.629 -3.428 -1.598 1.00 63.24 H new ATOM 0 HB THR A -1 -19.995 -5.104 -2.663 1.00 5.43 H new ATOM 0 HG1 THR A -1 -18.351 -6.816 -2.601 1.00 71.24 H new ATOM 0 HG21 THR A -1 -19.226 -6.344 -4.659 1.00 73.13 H new ATOM 0 HG22 THR A -1 -19.656 -4.655 -5.021 1.00 73.13 H new ATOM 0 HG23 THR A -1 -17.945 -5.131 -4.894 1.00 73.13 H new ATOM 152 N GLN A 0 -16.294 -2.829 -2.266 1.00 60.44 N ATOM 153 CA GLN A 0 -14.890 -2.508 -2.594 1.00 61.24 C ATOM 154 C GLN A 0 -14.133 -3.737 -3.117 1.00 12.20 C ATOM 155 O GLN A 0 -14.624 -4.864 -3.033 1.00 22.10 O ATOM 156 CB GLN A 0 -14.158 -1.939 -1.370 1.00 71.13 C ATOM 157 CG GLN A 0 -14.621 -0.546 -0.964 1.00 5.53 C ATOM 158 CD GLN A 0 -14.682 -0.372 0.540 1.00 15.54 C ATOM 159 OE1 GLN A 0 -15.763 -0.290 1.123 1.00 60.43 O ATOM 160 NE2 GLN A 0 -13.516 -0.316 1.177 1.00 54.33 N ATOM 0 H GLN A 0 -16.529 -2.704 -1.281 1.00 60.44 H new ATOM 0 HA GLN A 0 -14.912 -1.756 -3.383 1.00 61.24 H new ATOM 0 HB2 GLN A 0 -14.298 -2.617 -0.528 1.00 71.13 H new ATOM 0 HB3 GLN A 0 -13.089 -1.908 -1.580 1.00 71.13 H new ATOM 0 HG2 GLN A 0 -13.943 0.196 -1.385 1.00 5.53 H new ATOM 0 HG3 GLN A 0 -15.606 -0.356 -1.389 1.00 5.53 H new ATOM 0 HE21 GLN A 0 -12.644 -0.388 0.652 1.00 54.33 H new ATOM 0 HE22 GLN A 0 -13.493 -0.201 2.190 1.00 54.33 H new ATOM 169 N ALA A 1 -12.935 -3.503 -3.665 1.00 1.21 N ATOM 170 CA ALA A 1 -12.104 -4.580 -4.215 1.00 51.03 C ATOM 171 C ALA A 1 -10.846 -4.838 -3.381 1.00 53.42 C ATOM 172 O ALA A 1 -10.511 -5.986 -3.088 1.00 62.43 O ATOM 173 CB ALA A 1 -11.700 -4.255 -5.651 1.00 43.55 C ATOM 0 H ALA A 1 -12.519 -2.575 -3.739 1.00 1.21 H new ATOM 0 HA ALA A 1 -12.709 -5.486 -4.190 1.00 51.03 H new ATOM 0 HB1 ALA A 1 -11.084 -5.062 -6.047 1.00 43.55 H new ATOM 0 HB2 ALA A 1 -12.594 -4.146 -6.265 1.00 43.55 H new ATOM 0 HB3 ALA A 1 -11.133 -3.324 -5.668 1.00 43.55 H new ATOM 179 N PHE A 2 -10.131 -3.766 -3.045 1.00 12.32 N ATOM 180 CA PHE A 2 -8.877 -3.872 -2.291 1.00 61.12 C ATOM 181 C PHE A 2 -9.062 -4.393 -0.863 1.00 42.03 C ATOM 182 O PHE A 2 -8.139 -4.989 -0.308 1.00 2.02 O ATOM 183 CB PHE A 2 -8.168 -2.515 -2.265 1.00 20.43 C ATOM 184 CG PHE A 2 -7.697 -2.073 -3.623 1.00 25.30 C ATOM 185 CD1 PHE A 2 -6.534 -2.590 -4.165 1.00 43.11 C ATOM 186 CD2 PHE A 2 -8.423 -1.151 -4.360 1.00 54.23 C ATOM 187 CE1 PHE A 2 -6.100 -2.196 -5.416 1.00 23.22 C ATOM 188 CE2 PHE A 2 -7.995 -0.753 -5.612 1.00 4.22 C ATOM 189 CZ PHE A 2 -6.831 -1.276 -6.140 1.00 35.41 C ATOM 0 H PHE A 2 -10.397 -2.810 -3.282 1.00 12.32 H new ATOM 0 HA PHE A 2 -8.265 -4.610 -2.811 1.00 61.12 H new ATOM 0 HB2 PHE A 2 -8.846 -1.764 -1.860 1.00 20.43 H new ATOM 0 HB3 PHE A 2 -7.314 -2.570 -1.590 1.00 20.43 H new ATOM 0 HD1 PHE A 2 -5.958 -3.311 -3.603 1.00 43.11 H new ATOM 0 HD2 PHE A 2 -9.334 -0.739 -3.951 1.00 54.23 H new ATOM 0 HE1 PHE A 2 -5.190 -2.607 -5.827 1.00 23.22 H new ATOM 0 HE2 PHE A 2 -8.570 -0.034 -6.177 1.00 4.22 H new ATOM 0 HZ PHE A 2 -6.493 -0.966 -7.118 1.00 35.41 H new ATOM 199 N ASP A 3 -10.238 -4.164 -0.272 1.00 52.44 N ATOM 200 CA ASP A 3 -10.526 -4.605 1.098 1.00 71.12 C ATOM 201 C ASP A 3 -10.504 -6.139 1.222 1.00 12.10 C ATOM 202 O ASP A 3 -11.554 -6.780 1.310 1.00 13.51 O ATOM 203 CB ASP A 3 -11.887 -4.045 1.547 1.00 72.23 C ATOM 204 CG ASP A 3 -13.058 -4.574 0.731 1.00 2.24 C ATOM 205 OD1 ASP A 3 -12.966 -4.581 -0.514 1.00 42.25 O ATOM 206 OD2 ASP A 3 -14.067 -4.979 1.341 1.00 51.42 O ATOM 0 H ASP A 3 -11.010 -3.673 -0.723 1.00 52.44 H new ATOM 0 HA ASP A 3 -9.743 -4.219 1.750 1.00 71.12 H new ATOM 0 HB2 ASP A 3 -12.045 -4.292 2.597 1.00 72.23 H new ATOM 0 HB3 ASP A 3 -11.866 -2.958 1.475 1.00 72.23 H new ATOM 211 N SER A 4 -9.301 -6.729 1.220 1.00 65.31 N ATOM 212 CA SER A 4 -9.158 -8.183 1.322 1.00 13.01 C ATOM 213 C SER A 4 -7.888 -8.571 2.091 1.00 4.51 C ATOM 214 O SER A 4 -7.298 -7.749 2.793 1.00 13.23 O ATOM 215 CB SER A 4 -9.142 -8.805 -0.083 1.00 23.22 C ATOM 216 OG SER A 4 -9.986 -8.094 -0.975 1.00 34.23 O ATOM 0 H SER A 4 -8.418 -6.223 1.149 1.00 65.31 H new ATOM 0 HA SER A 4 -10.012 -8.569 1.879 1.00 13.01 H new ATOM 0 HB2 SER A 4 -8.123 -8.808 -0.469 1.00 23.22 H new ATOM 0 HB3 SER A 4 -9.464 -9.845 -0.026 1.00 23.22 H new ATOM 0 HG SER A 4 -9.459 -7.767 -1.733 1.00 34.23 H new ATOM 222 N THR A 5 -7.465 -9.828 1.927 1.00 11.40 N ATOM 223 CA THR A 5 -6.256 -10.338 2.570 1.00 54.54 C ATOM 224 C THR A 5 -5.346 -10.964 1.517 1.00 53.03 C ATOM 225 O THR A 5 -5.688 -11.995 0.943 1.00 21.32 O ATOM 226 CB THR A 5 -6.608 -11.384 3.634 1.00 4.00 C ATOM 227 OG1 THR A 5 -7.592 -10.892 4.527 1.00 55.32 O ATOM 228 CG2 THR A 5 -5.416 -11.828 4.457 1.00 64.44 C ATOM 0 H THR A 5 -7.949 -10.515 1.348 1.00 11.40 H new ATOM 0 HA THR A 5 -5.742 -9.509 3.056 1.00 54.54 H new ATOM 0 HB THR A 5 -6.983 -12.242 3.076 1.00 4.00 H new ATOM 0 HG1 THR A 5 -7.800 -11.578 5.195 1.00 55.32 H new ATOM 0 HG21 THR A 5 -5.736 -12.568 5.190 1.00 64.44 H new ATOM 0 HG22 THR A 5 -4.665 -12.268 3.801 1.00 64.44 H new ATOM 0 HG23 THR A 5 -4.989 -10.968 4.972 1.00 64.44 H new ATOM 236 N TRP A 6 -4.200 -10.336 1.253 1.00 12.00 N ATOM 237 CA TRP A 6 -3.268 -10.846 0.251 1.00 43.53 C ATOM 238 C TRP A 6 -1.871 -11.071 0.836 1.00 40.31 C ATOM 239 O TRP A 6 -1.286 -10.177 1.451 1.00 40.14 O ATOM 240 CB TRP A 6 -3.182 -9.905 -0.964 1.00 43.22 C ATOM 241 CG TRP A 6 -4.351 -8.979 -1.139 1.00 0.41 C ATOM 242 CD1 TRP A 6 -4.833 -8.041 -0.266 1.00 72.24 C ATOM 243 CD2 TRP A 6 -5.170 -8.908 -2.291 1.00 1.31 C ATOM 244 NE1 TRP A 6 -5.922 -7.406 -0.820 1.00 3.32 N ATOM 245 CE2 TRP A 6 -6.146 -7.925 -2.068 1.00 51.03 C ATOM 246 CE3 TRP A 6 -5.161 -9.597 -3.489 1.00 31.30 C ATOM 247 CZ2 TRP A 6 -7.115 -7.615 -3.018 1.00 20.11 C ATOM 248 CZ3 TRP A 6 -6.118 -9.297 -4.439 1.00 20.32 C ATOM 249 CH2 TRP A 6 -7.087 -8.311 -4.198 1.00 71.32 C ATOM 0 H TRP A 6 -3.897 -9.479 1.716 1.00 12.00 H new ATOM 0 HA TRP A 6 -3.659 -11.809 -0.079 1.00 43.53 H new ATOM 0 HB2 TRP A 6 -2.275 -9.307 -0.877 1.00 43.22 H new ATOM 0 HB3 TRP A 6 -3.080 -10.510 -1.865 1.00 43.22 H new ATOM 0 HD1 TRP A 6 -4.421 -7.831 0.710 1.00 72.24 H new ATOM 0 HE1 TRP A 6 -6.471 -6.671 -0.375 1.00 3.32 H new ATOM 0 HE3 TRP A 6 -4.418 -10.357 -3.679 1.00 31.30 H new ATOM 0 HZ2 TRP A 6 -7.860 -6.855 -2.832 1.00 20.11 H new ATOM 0 HZ3 TRP A 6 -6.120 -9.828 -5.379 1.00 20.32 H new ATOM 0 HH2 TRP A 6 -7.825 -8.097 -4.957 1.00 71.32 H new ATOM 260 N LYS A 7 -1.348 -12.278 0.619 1.00 60.22 N ATOM 261 CA LYS A 7 -0.019 -12.667 1.093 1.00 24.32 C ATOM 262 C LYS A 7 0.991 -12.582 -0.044 1.00 55.24 C ATOM 263 O LYS A 7 0.614 -12.616 -1.218 1.00 63.54 O ATOM 264 CB LYS A 7 -0.074 -14.098 1.657 1.00 64.51 C ATOM 265 CG LYS A 7 0.397 -15.175 0.686 1.00 73.52 C ATOM 266 CD LYS A 7 0.577 -16.516 1.382 1.00 63.34 C ATOM 267 CE LYS A 7 1.375 -17.487 0.526 1.00 44.11 C ATOM 268 NZ LYS A 7 2.761 -17.675 1.040 1.00 63.22 N ATOM 0 H LYS A 7 -1.835 -13.015 0.109 1.00 60.22 H new ATOM 0 HA LYS A 7 0.296 -11.985 1.883 1.00 24.32 H new ATOM 0 HB2 LYS A 7 0.538 -14.145 2.558 1.00 64.51 H new ATOM 0 HB3 LYS A 7 -1.099 -14.319 1.956 1.00 64.51 H new ATOM 0 HG2 LYS A 7 -0.326 -15.278 -0.123 1.00 73.52 H new ATOM 0 HG3 LYS A 7 1.340 -14.870 0.233 1.00 73.52 H new ATOM 0 HD2 LYS A 7 1.085 -16.367 2.335 1.00 63.34 H new ATOM 0 HD3 LYS A 7 -0.400 -16.945 1.606 1.00 63.34 H new ATOM 0 HE2 LYS A 7 0.865 -18.450 0.498 1.00 44.11 H new ATOM 0 HE3 LYS A 7 1.415 -17.118 -0.499 1.00 44.11 H new ATOM 0 HZ1 LYS A 7 3.270 -18.344 0.428 1.00 63.22 H new ATOM 0 HZ2 LYS A 7 3.257 -16.761 1.042 1.00 63.22 H new ATOM 0 HZ3 LYS A 7 2.724 -18.051 2.009 1.00 63.22 H new ATOM 282 N VAL A 8 2.275 -12.485 0.301 1.00 72.24 N ATOM 283 CA VAL A 8 3.314 -12.414 -0.715 1.00 61.43 C ATOM 284 C VAL A 8 3.288 -13.663 -1.575 1.00 22.33 C ATOM 285 O VAL A 8 3.635 -14.758 -1.126 1.00 12.22 O ATOM 286 CB VAL A 8 4.725 -12.249 -0.120 1.00 12.31 C ATOM 287 CG1 VAL A 8 5.797 -12.654 -1.131 1.00 15.10 C ATOM 288 CG2 VAL A 8 4.961 -10.824 0.302 1.00 1.21 C ATOM 0 H VAL A 8 2.613 -12.454 1.263 1.00 72.24 H new ATOM 0 HA VAL A 8 3.100 -11.529 -1.314 1.00 61.43 H new ATOM 0 HB VAL A 8 4.791 -12.901 0.751 1.00 12.31 H new ATOM 0 HG11 VAL A 8 6.784 -12.528 -0.685 1.00 15.10 H new ATOM 0 HG12 VAL A 8 5.656 -13.698 -1.412 1.00 15.10 H new ATOM 0 HG13 VAL A 8 5.717 -12.026 -2.018 1.00 15.10 H new ATOM 0 HG21 VAL A 8 5.963 -10.729 0.720 1.00 1.21 H new ATOM 0 HG22 VAL A 8 4.865 -10.168 -0.563 1.00 1.21 H new ATOM 0 HG23 VAL A 8 4.226 -10.541 1.056 1.00 1.21 H new ATOM 298 N ASP A 9 2.882 -13.483 -2.813 1.00 13.03 N ATOM 299 CA ASP A 9 2.815 -14.574 -3.759 1.00 45.52 C ATOM 300 C ASP A 9 4.018 -14.532 -4.692 1.00 52.21 C ATOM 301 O ASP A 9 4.408 -15.555 -5.260 1.00 1.15 O ATOM 302 CB ASP A 9 1.516 -14.479 -4.548 1.00 72.11 C ATOM 303 CG ASP A 9 0.686 -15.743 -4.445 1.00 25.33 C ATOM 304 OD1 ASP A 9 0.362 -16.153 -3.310 1.00 3.20 O ATOM 305 OD2 ASP A 9 0.357 -16.323 -5.501 1.00 43.25 O ATOM 0 H ASP A 9 2.591 -12.581 -3.190 1.00 13.03 H new ATOM 0 HA ASP A 9 2.834 -15.523 -3.224 1.00 45.52 H new ATOM 0 HB2 ASP A 9 0.933 -13.634 -4.183 1.00 72.11 H new ATOM 0 HB3 ASP A 9 1.743 -14.281 -5.595 1.00 72.11 H new ATOM 310 N ARG A 10 4.601 -13.336 -4.850 1.00 71.31 N ATOM 311 CA ARG A 10 5.755 -13.160 -5.720 1.00 41.02 C ATOM 312 C ARG A 10 6.282 -11.725 -5.682 1.00 34.12 C ATOM 313 O ARG A 10 5.609 -10.815 -5.196 1.00 0.20 O ATOM 314 CB ARG A 10 5.374 -13.527 -7.156 1.00 41.02 C ATOM 315 CG ARG A 10 3.996 -13.012 -7.555 1.00 34.10 C ATOM 316 CD ARG A 10 2.997 -14.144 -7.735 1.00 23.53 C ATOM 317 NE ARG A 10 2.705 -14.413 -9.142 1.00 62.43 N ATOM 318 CZ ARG A 10 1.714 -15.208 -9.553 1.00 74.41 C ATOM 319 NH1 ARG A 10 0.918 -15.807 -8.667 1.00 40.23 N ATOM 320 NH2 ARG A 10 1.516 -15.406 -10.852 1.00 71.31 N ATOM 0 H ARG A 10 4.288 -12.483 -4.385 1.00 71.31 H new ATOM 0 HA ARG A 10 6.547 -13.817 -5.361 1.00 41.02 H new ATOM 0 HB2 ARG A 10 6.120 -13.121 -7.839 1.00 41.02 H new ATOM 0 HB3 ARG A 10 5.397 -14.611 -7.267 1.00 41.02 H new ATOM 0 HG2 ARG A 10 3.631 -12.324 -6.793 1.00 34.10 H new ATOM 0 HG3 ARG A 10 4.075 -12.446 -8.483 1.00 34.10 H new ATOM 0 HD2 ARG A 10 3.389 -15.048 -7.269 1.00 23.53 H new ATOM 0 HD3 ARG A 10 2.072 -13.894 -7.216 1.00 23.53 H new ATOM 0 HE ARG A 10 3.291 -13.969 -9.849 1.00 62.43 H new ATOM 0 HH11 ARG A 10 1.064 -15.659 -7.668 1.00 40.23 H new ATOM 0 HH12 ARG A 10 0.163 -16.413 -8.988 1.00 40.23 H new ATOM 0 HH21 ARG A 10 2.121 -14.951 -11.535 1.00 71.31 H new ATOM 0 HH22 ARG A 10 0.759 -16.013 -11.166 1.00 71.31 H new ATOM 334 N SER A 11 7.488 -11.537 -6.217 1.00 53.11 N ATOM 335 CA SER A 11 8.120 -10.223 -6.272 1.00 4.00 C ATOM 336 C SER A 11 8.945 -10.086 -7.553 1.00 54.52 C ATOM 337 O SER A 11 9.279 -11.088 -8.191 1.00 54.02 O ATOM 338 CB SER A 11 9.004 -9.996 -5.042 1.00 44.14 C ATOM 339 OG SER A 11 9.988 -11.009 -4.920 1.00 42.23 O ATOM 0 H SER A 11 8.049 -12.286 -6.621 1.00 53.11 H new ATOM 0 HA SER A 11 7.338 -9.464 -6.276 1.00 4.00 H new ATOM 0 HB2 SER A 11 9.489 -9.022 -5.115 1.00 44.14 H new ATOM 0 HB3 SER A 11 8.385 -9.978 -4.145 1.00 44.14 H new ATOM 0 HG SER A 11 10.538 -10.837 -4.127 1.00 42.23 H new ATOM 345 N GLU A 12 9.263 -8.848 -7.936 1.00 12.23 N ATOM 346 CA GLU A 12 10.032 -8.600 -9.150 1.00 60.12 C ATOM 347 C GLU A 12 11.029 -7.463 -8.957 1.00 60.42 C ATOM 348 O GLU A 12 10.669 -6.378 -8.493 1.00 61.43 O ATOM 349 CB GLU A 12 9.095 -8.258 -10.309 1.00 64.25 C ATOM 350 CG GLU A 12 7.997 -9.285 -10.539 1.00 53.14 C ATOM 351 CD GLU A 12 6.761 -8.673 -11.166 1.00 60.25 C ATOM 352 OE1 GLU A 12 6.075 -7.886 -10.479 1.00 22.13 O ATOM 353 OE2 GLU A 12 6.482 -8.972 -12.346 1.00 0.03 O ATOM 0 H GLU A 12 9.000 -8.007 -7.423 1.00 12.23 H new ATOM 0 HA GLU A 12 10.586 -9.511 -9.379 1.00 60.12 H new ATOM 0 HB2 GLU A 12 8.637 -7.288 -10.118 1.00 64.25 H new ATOM 0 HB3 GLU A 12 9.683 -8.159 -11.221 1.00 64.25 H new ATOM 0 HG2 GLU A 12 8.374 -10.079 -11.184 1.00 53.14 H new ATOM 0 HG3 GLU A 12 7.729 -9.747 -9.589 1.00 53.14 H new ATOM 360 N ASN A 13 12.279 -7.724 -9.337 1.00 31.20 N ATOM 361 CA ASN A 13 13.357 -6.734 -9.242 1.00 42.23 C ATOM 362 C ASN A 13 13.767 -6.432 -7.791 1.00 61.22 C ATOM 363 O ASN A 13 14.603 -5.559 -7.553 1.00 22.31 O ATOM 364 CB ASN A 13 12.939 -5.438 -9.947 1.00 75.24 C ATOM 365 CG ASN A 13 14.118 -4.550 -10.285 1.00 53.02 C ATOM 366 OD1 ASN A 13 14.658 -4.609 -11.389 1.00 53.23 O ATOM 367 ND2 ASN A 13 14.522 -3.719 -9.335 1.00 4.24 N ATOM 0 H ASN A 13 12.575 -8.623 -9.718 1.00 31.20 H new ATOM 0 HA ASN A 13 14.228 -7.165 -9.735 1.00 42.23 H new ATOM 0 HB2 ASN A 13 12.401 -5.684 -10.862 1.00 75.24 H new ATOM 0 HB3 ASN A 13 12.247 -4.889 -9.308 1.00 75.24 H new ATOM 0 HD21 ASN A 13 15.310 -3.095 -9.505 1.00 4.24 H new ATOM 0 HD22 ASN A 13 14.044 -3.704 -8.434 1.00 4.24 H new ATOM 374 N TYR A 14 13.194 -7.148 -6.823 1.00 43.02 N ATOM 375 CA TYR A 14 13.528 -6.928 -5.415 1.00 4.22 C ATOM 376 C TYR A 14 15.024 -7.033 -5.176 1.00 1.00 C ATOM 377 O TYR A 14 15.593 -6.269 -4.392 1.00 20.22 O ATOM 378 CB TYR A 14 12.824 -7.954 -4.532 1.00 75.13 C ATOM 379 CG TYR A 14 12.932 -7.668 -3.050 1.00 40.31 C ATOM 380 CD1 TYR A 14 12.491 -6.464 -2.516 1.00 44.41 C ATOM 381 CD2 TYR A 14 13.476 -8.608 -2.185 1.00 32.44 C ATOM 382 CE1 TYR A 14 12.590 -6.206 -1.161 1.00 63.31 C ATOM 383 CE2 TYR A 14 13.578 -8.359 -0.831 1.00 42.42 C ATOM 384 CZ TYR A 14 13.135 -7.158 -0.323 1.00 34.41 C ATOM 385 OH TYR A 14 13.237 -6.908 1.025 1.00 23.24 O ATOM 0 H TYR A 14 12.502 -7.879 -6.985 1.00 43.02 H new ATOM 0 HA TYR A 14 13.195 -5.922 -5.160 1.00 4.22 H new ATOM 0 HB2 TYR A 14 11.770 -7.994 -4.808 1.00 75.13 H new ATOM 0 HB3 TYR A 14 13.243 -8.940 -4.733 1.00 75.13 H new ATOM 0 HD1 TYR A 14 12.064 -5.718 -3.169 1.00 44.41 H new ATOM 0 HD2 TYR A 14 13.826 -9.551 -2.579 1.00 32.44 H new ATOM 0 HE1 TYR A 14 12.243 -5.265 -0.761 1.00 63.31 H new ATOM 0 HE2 TYR A 14 14.003 -9.103 -0.173 1.00 42.42 H new ATOM 0 HH TYR A 14 12.992 -7.714 1.527 1.00 23.24 H new ATOM 395 N ASP A 15 15.644 -8.002 -5.839 1.00 23.35 N ATOM 396 CA ASP A 15 17.067 -8.245 -5.696 1.00 72.42 C ATOM 397 C ASP A 15 17.881 -6.952 -5.803 1.00 14.04 C ATOM 398 O ASP A 15 18.739 -6.684 -4.963 1.00 21.24 O ATOM 399 CB ASP A 15 17.543 -9.263 -6.738 1.00 2.15 C ATOM 400 CG ASP A 15 17.363 -8.775 -8.165 1.00 40.42 C ATOM 401 OD1 ASP A 15 16.203 -8.678 -8.619 1.00 21.43 O ATOM 402 OD2 ASP A 15 18.381 -8.486 -8.826 1.00 0.44 O ATOM 0 H ASP A 15 15.175 -8.636 -6.486 1.00 23.35 H new ATOM 0 HA ASP A 15 17.230 -8.653 -4.699 1.00 72.42 H new ATOM 0 HB2 ASP A 15 18.596 -9.487 -6.566 1.00 2.15 H new ATOM 0 HB3 ASP A 15 16.993 -10.195 -6.606 1.00 2.15 H new ATOM 407 N LYS A 16 17.607 -6.152 -6.836 1.00 23.40 N ATOM 408 CA LYS A 16 18.323 -4.891 -7.039 1.00 32.21 C ATOM 409 C LYS A 16 17.952 -3.860 -5.972 1.00 43.24 C ATOM 410 O LYS A 16 18.807 -3.098 -5.520 1.00 11.02 O ATOM 411 CB LYS A 16 18.030 -4.322 -8.431 1.00 74.53 C ATOM 412 CG LYS A 16 19.074 -3.321 -8.909 1.00 53.44 C ATOM 413 CD LYS A 16 19.654 -3.716 -10.260 1.00 13.01 C ATOM 414 CE LYS A 16 20.649 -4.864 -10.131 1.00 5.42 C ATOM 415 NZ LYS A 16 21.968 -4.412 -9.599 1.00 13.00 N ATOM 0 H LYS A 16 16.898 -6.354 -7.541 1.00 23.40 H new ATOM 0 HA LYS A 16 19.389 -5.104 -6.956 1.00 32.21 H new ATOM 0 HB2 LYS A 16 17.971 -5.143 -9.146 1.00 74.53 H new ATOM 0 HB3 LYS A 16 17.053 -3.839 -8.419 1.00 74.53 H new ATOM 0 HG2 LYS A 16 18.623 -2.331 -8.982 1.00 53.44 H new ATOM 0 HG3 LYS A 16 19.876 -3.253 -8.174 1.00 53.44 H new ATOM 0 HD2 LYS A 16 18.847 -4.008 -10.932 1.00 13.01 H new ATOM 0 HD3 LYS A 16 20.148 -2.855 -10.710 1.00 13.01 H new ATOM 0 HE2 LYS A 16 20.236 -5.628 -9.472 1.00 5.42 H new ATOM 0 HE3 LYS A 16 20.793 -5.329 -11.106 1.00 5.42 H new ATOM 0 HZ1 LYS A 16 22.617 -5.223 -9.545 1.00 13.00 H new ATOM 0 HZ2 LYS A 16 22.368 -3.690 -10.231 1.00 13.00 H new ATOM 0 HZ3 LYS A 16 21.839 -4.008 -8.650 1.00 13.00 H new ATOM 429 N PHE A 17 16.677 -3.838 -5.579 1.00 21.32 N ATOM 430 CA PHE A 17 16.192 -2.896 -4.569 1.00 53.14 C ATOM 431 C PHE A 17 16.913 -3.098 -3.231 1.00 54.05 C ATOM 432 O PHE A 17 17.465 -2.147 -2.674 1.00 22.43 O ATOM 433 CB PHE A 17 14.670 -3.041 -4.400 1.00 53.54 C ATOM 434 CG PHE A 17 14.113 -2.420 -3.144 1.00 63.54 C ATOM 435 CD1 PHE A 17 14.026 -3.162 -1.976 1.00 2.03 C ATOM 436 CD2 PHE A 17 13.666 -1.103 -3.131 1.00 14.05 C ATOM 437 CE1 PHE A 17 13.508 -2.608 -0.822 1.00 31.31 C ATOM 438 CE2 PHE A 17 13.149 -0.546 -1.978 1.00 5.21 C ATOM 439 CZ PHE A 17 13.069 -1.300 -0.823 1.00 2.31 C ATOM 0 H PHE A 17 15.960 -4.464 -5.946 1.00 21.32 H new ATOM 0 HA PHE A 17 16.411 -1.884 -4.909 1.00 53.14 H new ATOM 0 HB2 PHE A 17 14.178 -2.589 -5.261 1.00 53.54 H new ATOM 0 HB3 PHE A 17 14.417 -4.101 -4.408 1.00 53.54 H new ATOM 0 HD1 PHE A 17 14.368 -4.186 -1.969 1.00 2.03 H new ATOM 0 HD2 PHE A 17 13.724 -0.510 -4.032 1.00 14.05 H new ATOM 0 HE1 PHE A 17 13.447 -3.198 0.080 1.00 31.31 H new ATOM 0 HE2 PHE A 17 12.807 0.479 -1.979 1.00 5.21 H new ATOM 0 HZ PHE A 17 12.663 -0.866 0.079 1.00 2.31 H new ATOM 449 N MET A 18 16.911 -4.334 -2.722 1.00 12.41 N ATOM 450 CA MET A 18 17.572 -4.637 -1.449 1.00 32.52 C ATOM 451 C MET A 18 19.087 -4.487 -1.563 1.00 1.44 C ATOM 452 O MET A 18 19.732 -3.954 -0.658 1.00 55.44 O ATOM 453 CB MET A 18 17.214 -6.043 -0.950 1.00 14.21 C ATOM 454 CG MET A 18 17.247 -7.118 -2.023 1.00 20.12 C ATOM 455 SD MET A 18 17.699 -8.737 -1.369 1.00 35.30 S ATOM 456 CE MET A 18 16.391 -9.764 -2.028 1.00 2.42 C ATOM 0 H MET A 18 16.463 -5.135 -3.168 1.00 12.41 H new ATOM 0 HA MET A 18 17.208 -3.914 -0.719 1.00 32.52 H new ATOM 0 HB2 MET A 18 17.906 -6.320 -0.154 1.00 14.21 H new ATOM 0 HB3 MET A 18 16.217 -6.016 -0.510 1.00 14.21 H new ATOM 0 HG2 MET A 18 16.268 -7.182 -2.498 1.00 20.12 H new ATOM 0 HG3 MET A 18 17.959 -6.831 -2.797 1.00 20.12 H new ATOM 0 HE1 MET A 18 16.806 -10.719 -2.351 1.00 2.42 H new ATOM 0 HE2 MET A 18 15.641 -9.937 -1.257 1.00 2.42 H new ATOM 0 HE3 MET A 18 15.928 -9.263 -2.878 1.00 2.42 H new ATOM 466 N GLU A 19 19.652 -4.947 -2.681 1.00 33.14 N ATOM 467 CA GLU A 19 21.092 -4.846 -2.903 1.00 12.13 C ATOM 468 C GLU A 19 21.530 -3.383 -2.989 1.00 73.11 C ATOM 469 O GLU A 19 22.636 -3.035 -2.573 1.00 14.15 O ATOM 470 CB GLU A 19 21.495 -5.587 -4.180 1.00 43.55 C ATOM 471 CG GLU A 19 21.417 -7.102 -4.057 1.00 64.34 C ATOM 472 CD GLU A 19 22.783 -7.756 -3.990 1.00 11.02 C ATOM 473 OE1 GLU A 19 23.444 -7.855 -5.045 1.00 3.41 O ATOM 474 OE2 GLU A 19 23.187 -8.176 -2.885 1.00 42.41 O ATOM 0 H GLU A 19 19.136 -5.390 -3.441 1.00 33.14 H new ATOM 0 HA GLU A 19 21.594 -5.310 -2.054 1.00 12.13 H new ATOM 0 HB2 GLU A 19 20.849 -5.264 -4.997 1.00 43.55 H new ATOM 0 HB3 GLU A 19 22.513 -5.305 -4.448 1.00 43.55 H new ATOM 0 HG2 GLU A 19 20.851 -7.361 -3.162 1.00 64.34 H new ATOM 0 HG3 GLU A 19 20.868 -7.504 -4.909 1.00 64.34 H new ATOM 481 N LYS A 20 20.649 -2.530 -3.528 1.00 34.31 N ATOM 482 CA LYS A 20 20.934 -1.103 -3.669 1.00 75.12 C ATOM 483 C LYS A 20 21.260 -0.459 -2.327 1.00 52.41 C ATOM 484 O LYS A 20 22.340 0.104 -2.153 1.00 0.31 O ATOM 485 CB LYS A 20 19.752 -0.381 -4.302 1.00 1.30 C ATOM 486 CG LYS A 20 20.171 0.838 -5.094 1.00 71.41 C ATOM 487 CD LYS A 20 19.754 0.726 -6.547 1.00 42.03 C ATOM 488 CE LYS A 20 19.080 1.995 -7.038 1.00 31.24 C ATOM 489 NZ LYS A 20 19.930 2.740 -8.008 1.00 51.13 N ATOM 0 H LYS A 20 19.731 -2.809 -3.874 1.00 34.31 H new ATOM 0 HA LYS A 20 21.806 -1.012 -4.316 1.00 75.12 H new ATOM 0 HB2 LYS A 20 19.219 -1.070 -4.957 1.00 1.30 H new ATOM 0 HB3 LYS A 20 19.054 -0.080 -3.521 1.00 1.30 H new ATOM 0 HG2 LYS A 20 19.725 1.730 -4.654 1.00 71.41 H new ATOM 0 HG3 LYS A 20 21.253 0.959 -5.033 1.00 71.41 H new ATOM 0 HD2 LYS A 20 20.630 0.518 -7.162 1.00 42.03 H new ATOM 0 HD3 LYS A 20 19.073 -0.117 -6.666 1.00 42.03 H new ATOM 0 HE2 LYS A 20 18.130 1.742 -7.509 1.00 31.24 H new ATOM 0 HE3 LYS A 20 18.853 2.637 -6.187 1.00 31.24 H new ATOM 0 HZ1 LYS A 20 19.372 3.502 -8.445 1.00 51.13 H new ATOM 0 HZ2 LYS A 20 20.746 3.150 -7.511 1.00 51.13 H new ATOM 0 HZ3 LYS A 20 20.266 2.089 -8.747 1.00 51.13 H new ATOM 503 N MET A 21 20.319 -0.545 -1.384 1.00 1.05 N ATOM 504 CA MET A 21 20.506 0.037 -0.056 1.00 41.22 C ATOM 505 C MET A 21 21.805 -0.457 0.586 1.00 13.10 C ATOM 506 O MET A 21 22.462 0.281 1.321 1.00 1.00 O ATOM 507 CB MET A 21 19.316 -0.305 0.847 1.00 53.53 C ATOM 508 CG MET A 21 18.153 0.665 0.716 1.00 51.42 C ATOM 509 SD MET A 21 16.896 0.097 -0.444 1.00 13.44 S ATOM 510 CE MET A 21 15.402 0.438 0.484 1.00 34.41 C ATOM 0 H MET A 21 19.422 -1.012 -1.516 1.00 1.05 H new ATOM 0 HA MET A 21 20.570 1.119 -0.171 1.00 41.22 H new ATOM 0 HB2 MET A 21 18.968 -1.310 0.610 1.00 53.53 H new ATOM 0 HB3 MET A 21 19.650 -0.320 1.884 1.00 53.53 H new ATOM 0 HG2 MET A 21 17.697 0.813 1.695 1.00 51.42 H new ATOM 0 HG3 MET A 21 18.530 1.635 0.390 1.00 51.42 H new ATOM 0 HE1 MET A 21 14.669 0.912 -0.168 1.00 34.41 H new ATOM 0 HE2 MET A 21 14.993 -0.495 0.872 1.00 34.41 H new ATOM 0 HE3 MET A 21 15.634 1.105 1.314 1.00 34.41 H new ATOM 520 N GLY A 22 22.166 -1.707 0.296 1.00 11.42 N ATOM 521 CA GLY A 22 23.387 -2.285 0.848 1.00 24.52 C ATOM 522 C GLY A 22 23.113 -3.324 1.922 1.00 42.12 C ATOM 523 O GLY A 22 23.881 -3.453 2.878 1.00 14.01 O ATOM 0 H GLY A 22 21.636 -2.332 -0.312 1.00 11.42 H new ATOM 0 HA2 GLY A 22 23.962 -2.743 0.044 1.00 24.52 H new ATOM 0 HA3 GLY A 22 24.003 -1.489 1.267 1.00 24.52 H new ATOM 527 N VAL A 23 22.010 -4.059 1.770 1.00 74.24 N ATOM 528 CA VAL A 23 21.622 -5.084 2.734 1.00 22.24 C ATOM 529 C VAL A 23 22.592 -6.269 2.719 1.00 4.44 C ATOM 530 O VAL A 23 22.987 -6.753 1.655 1.00 54.54 O ATOM 531 CB VAL A 23 20.186 -5.586 2.460 1.00 62.42 C ATOM 532 CG1 VAL A 23 19.764 -6.613 3.496 1.00 63.14 C ATOM 533 CG2 VAL A 23 19.205 -4.421 2.439 1.00 52.34 C ATOM 0 H VAL A 23 21.368 -3.961 0.983 1.00 74.24 H new ATOM 0 HA VAL A 23 21.657 -4.623 3.721 1.00 22.24 H new ATOM 0 HB VAL A 23 20.178 -6.065 1.481 1.00 62.42 H new ATOM 0 HG11 VAL A 23 18.750 -6.951 3.281 1.00 63.14 H new ATOM 0 HG12 VAL A 23 20.445 -7.464 3.463 1.00 63.14 H new ATOM 0 HG13 VAL A 23 19.794 -6.163 4.488 1.00 63.14 H new ATOM 0 HG21 VAL A 23 18.200 -4.795 2.245 1.00 52.34 H new ATOM 0 HG22 VAL A 23 19.223 -3.913 3.403 1.00 52.34 H new ATOM 0 HG23 VAL A 23 19.489 -3.720 1.654 1.00 52.34 H new ATOM 543 N ASN A 24 22.965 -6.728 3.915 1.00 11.41 N ATOM 544 CA ASN A 24 23.880 -7.850 4.075 1.00 23.14 C ATOM 545 C ASN A 24 23.215 -9.168 3.678 1.00 0.10 C ATOM 546 O ASN A 24 21.994 -9.306 3.761 1.00 72.22 O ATOM 547 CB ASN A 24 24.346 -7.913 5.527 1.00 54.24 C ATOM 548 CG ASN A 24 25.312 -9.040 5.778 1.00 14.23 C ATOM 549 OD1 ASN A 24 26.436 -9.038 5.279 1.00 55.42 O ATOM 550 ND2 ASN A 24 24.876 -10.013 6.554 1.00 33.20 N ATOM 0 H ASN A 24 22.640 -6.330 4.796 1.00 11.41 H new ATOM 0 HA ASN A 24 24.736 -7.700 3.418 1.00 23.14 H new ATOM 0 HB2 ASN A 24 24.819 -6.968 5.794 1.00 54.24 H new ATOM 0 HB3 ASN A 24 23.480 -8.031 6.178 1.00 54.24 H new ATOM 0 HD21 ASN A 24 25.480 -10.808 6.763 1.00 33.20 H new ATOM 0 HD22 ASN A 24 23.935 -9.970 6.945 1.00 33.20 H new ATOM 557 N ILE A 25 24.032 -10.133 3.250 1.00 54.42 N ATOM 558 CA ILE A 25 23.540 -11.449 2.835 1.00 72.22 C ATOM 559 C ILE A 25 22.511 -12.017 3.819 1.00 12.24 C ATOM 560 O ILE A 25 21.469 -12.521 3.405 1.00 42.11 O ATOM 561 CB ILE A 25 24.701 -12.458 2.672 1.00 13.12 C ATOM 562 CG1 ILE A 25 24.172 -13.820 2.207 1.00 61.22 C ATOM 563 CG2 ILE A 25 25.486 -12.601 3.971 1.00 44.35 C ATOM 564 CD1 ILE A 25 25.263 -14.815 1.874 1.00 52.24 C ATOM 0 H ILE A 25 25.044 -10.026 3.181 1.00 54.42 H new ATOM 0 HA ILE A 25 23.052 -11.303 1.871 1.00 72.22 H new ATOM 0 HB ILE A 25 25.378 -12.074 1.909 1.00 13.12 H new ATOM 0 HG12 ILE A 25 23.536 -14.239 2.987 1.00 61.22 H new ATOM 0 HG13 ILE A 25 23.544 -13.675 1.328 1.00 61.22 H new ATOM 0 HG21 ILE A 25 26.296 -13.316 3.830 1.00 44.35 H new ATOM 0 HG22 ILE A 25 25.901 -11.634 4.254 1.00 44.35 H new ATOM 0 HG23 ILE A 25 24.823 -12.956 4.760 1.00 44.35 H new ATOM 0 HD11 ILE A 25 24.813 -15.754 1.553 1.00 52.24 H new ATOM 0 HD12 ILE A 25 25.885 -14.418 1.072 1.00 52.24 H new ATOM 0 HD13 ILE A 25 25.878 -14.990 2.757 1.00 52.24 H new ATOM 576 N VAL A 26 22.810 -11.931 5.116 1.00 2.11 N ATOM 577 CA VAL A 26 21.904 -12.444 6.152 1.00 13.11 C ATOM 578 C VAL A 26 20.622 -11.616 6.227 1.00 2.32 C ATOM 579 O VAL A 26 19.525 -12.163 6.381 1.00 72.11 O ATOM 580 CB VAL A 26 22.570 -12.467 7.548 1.00 65.13 C ATOM 581 CG1 VAL A 26 21.695 -13.212 8.548 1.00 20.43 C ATOM 582 CG2 VAL A 26 23.957 -13.095 7.483 1.00 61.24 C ATOM 0 H VAL A 26 23.668 -11.513 5.476 1.00 2.11 H new ATOM 0 HA VAL A 26 21.661 -13.467 5.865 1.00 13.11 H new ATOM 0 HB VAL A 26 22.680 -11.436 7.884 1.00 65.13 H new ATOM 0 HG11 VAL A 26 22.181 -13.217 9.524 1.00 20.43 H new ATOM 0 HG12 VAL A 26 20.728 -12.715 8.627 1.00 20.43 H new ATOM 0 HG13 VAL A 26 21.549 -14.238 8.210 1.00 20.43 H new ATOM 0 HG21 VAL A 26 24.402 -13.098 8.478 1.00 61.24 H new ATOM 0 HG22 VAL A 26 23.876 -14.119 7.118 1.00 61.24 H new ATOM 0 HG23 VAL A 26 24.586 -12.518 6.806 1.00 61.24 H new ATOM 592 N LYS A 27 20.764 -10.298 6.105 1.00 23.21 N ATOM 593 CA LYS A 27 19.624 -9.392 6.146 1.00 0.55 C ATOM 594 C LYS A 27 18.695 -9.654 4.962 1.00 35.41 C ATOM 595 O LYS A 27 17.474 -9.566 5.089 1.00 2.44 O ATOM 596 CB LYS A 27 20.106 -7.939 6.135 1.00 75.22 C ATOM 597 CG LYS A 27 20.622 -7.448 7.479 1.00 2.03 C ATOM 598 CD LYS A 27 19.549 -7.508 8.555 1.00 3.04 C ATOM 599 CE LYS A 27 20.096 -7.084 9.910 1.00 63.21 C ATOM 600 NZ LYS A 27 19.688 -5.697 10.274 1.00 32.42 N ATOM 0 H LYS A 27 21.663 -9.834 5.976 1.00 23.21 H new ATOM 0 HA LYS A 27 19.068 -9.569 7.067 1.00 0.55 H new ATOM 0 HB2 LYS A 27 20.898 -7.835 5.393 1.00 75.22 H new ATOM 0 HB3 LYS A 27 19.285 -7.297 5.816 1.00 75.22 H new ATOM 0 HG2 LYS A 27 21.476 -8.054 7.783 1.00 2.03 H new ATOM 0 HG3 LYS A 27 20.978 -6.423 7.378 1.00 2.03 H new ATOM 0 HD2 LYS A 27 18.717 -6.860 8.278 1.00 3.04 H new ATOM 0 HD3 LYS A 27 19.155 -8.522 8.621 1.00 3.04 H new ATOM 0 HE2 LYS A 27 19.744 -7.777 10.675 1.00 63.21 H new ATOM 0 HE3 LYS A 27 21.184 -7.149 9.897 1.00 63.21 H new ATOM 0 HZ1 LYS A 27 20.083 -5.452 11.204 1.00 32.42 H new ATOM 0 HZ2 LYS A 27 20.045 -5.031 9.559 1.00 32.42 H new ATOM 0 HZ3 LYS A 27 18.650 -5.639 10.313 1.00 32.42 H new ATOM 614 N ARG A 28 19.286 -9.997 3.815 1.00 35.42 N ATOM 615 CA ARG A 28 18.514 -10.294 2.612 1.00 73.41 C ATOM 616 C ARG A 28 17.841 -11.668 2.713 1.00 21.31 C ATOM 617 O ARG A 28 16.890 -11.952 1.987 1.00 20.24 O ATOM 618 CB ARG A 28 19.415 -10.248 1.372 1.00 14.03 C ATOM 619 CG ARG A 28 20.164 -8.933 1.201 1.00 43.03 C ATOM 620 CD ARG A 28 20.719 -8.775 -0.207 1.00 43.33 C ATOM 621 NE ARG A 28 21.415 -9.978 -0.666 1.00 51.53 N ATOM 622 CZ ARG A 28 22.722 -10.196 -0.500 1.00 40.33 C ATOM 623 NH1 ARG A 28 23.481 -9.303 0.132 1.00 72.33 N ATOM 624 NH2 ARG A 28 23.271 -11.316 -0.964 1.00 53.35 N ATOM 0 H ARG A 28 20.296 -10.075 3.697 1.00 35.42 H new ATOM 0 HA ARG A 28 17.738 -9.535 2.519 1.00 73.41 H new ATOM 0 HB2 ARG A 28 20.138 -11.062 1.430 1.00 14.03 H new ATOM 0 HB3 ARG A 28 18.806 -10.426 0.486 1.00 14.03 H new ATOM 0 HG2 ARG A 28 19.494 -8.102 1.422 1.00 43.03 H new ATOM 0 HG3 ARG A 28 20.981 -8.884 1.921 1.00 43.03 H new ATOM 0 HD2 ARG A 28 19.904 -8.545 -0.893 1.00 43.33 H new ATOM 0 HD3 ARG A 28 21.405 -7.929 -0.232 1.00 43.33 H new ATOM 0 HE ARG A 28 20.867 -10.695 -1.142 1.00 51.53 H new ATOM 0 HH11 ARG A 28 23.065 -8.445 0.494 1.00 72.33 H new ATOM 0 HH12 ARG A 28 24.479 -9.477 0.255 1.00 72.33 H new ATOM 0 HH21 ARG A 28 22.694 -12.006 -1.445 1.00 53.35 H new ATOM 0 HH22 ARG A 28 24.269 -11.485 -0.838 1.00 53.35 H new ATOM 638 N LYS A 29 18.345 -12.521 3.612 1.00 42.34 N ATOM 639 CA LYS A 29 17.802 -13.862 3.797 1.00 71.22 C ATOM 640 C LYS A 29 16.397 -13.830 4.392 1.00 43.34 C ATOM 641 O LYS A 29 15.481 -14.437 3.839 1.00 45.01 O ATOM 642 CB LYS A 29 18.726 -14.695 4.689 1.00 55.42 C ATOM 643 CG LYS A 29 20.070 -15.009 4.051 1.00 13.50 C ATOM 644 CD LYS A 29 20.128 -16.440 3.540 1.00 64.11 C ATOM 645 CE LYS A 29 21.072 -17.296 4.372 1.00 44.41 C ATOM 646 NZ LYS A 29 20.710 -17.296 5.820 1.00 25.21 N ATOM 0 H LYS A 29 19.131 -12.300 4.223 1.00 42.34 H new ATOM 0 HA LYS A 29 17.738 -14.324 2.812 1.00 71.22 H new ATOM 0 HB2 LYS A 29 18.893 -14.160 5.624 1.00 55.42 H new ATOM 0 HB3 LYS A 29 18.226 -15.630 4.942 1.00 55.42 H new ATOM 0 HG2 LYS A 29 20.251 -14.320 3.226 1.00 13.50 H new ATOM 0 HG3 LYS A 29 20.865 -14.850 4.780 1.00 13.50 H new ATOM 0 HD2 LYS A 29 19.129 -16.875 3.561 1.00 64.11 H new ATOM 0 HD3 LYS A 29 20.455 -16.442 2.500 1.00 64.11 H new ATOM 0 HE2 LYS A 29 21.057 -18.319 3.996 1.00 44.41 H new ATOM 0 HE3 LYS A 29 22.091 -16.928 4.255 1.00 44.41 H new ATOM 0 HZ1 LYS A 29 21.151 -18.113 6.288 1.00 25.21 H new ATOM 0 HZ2 LYS A 29 21.049 -16.418 6.263 1.00 25.21 H new ATOM 0 HZ3 LYS A 29 19.677 -17.357 5.919 1.00 25.21 H new ATOM 660 N LEU A 30 16.214 -13.137 5.520 1.00 0.04 N ATOM 661 CA LEU A 30 14.890 -13.083 6.135 1.00 2.32 C ATOM 662 C LEU A 30 14.004 -12.010 5.512 1.00 0.13 C ATOM 663 O LEU A 30 12.787 -12.178 5.446 1.00 63.51 O ATOM 664 CB LEU A 30 14.945 -12.891 7.638 1.00 20.41 C ATOM 665 CG LEU A 30 16.042 -11.996 8.185 1.00 54.54 C ATOM 666 CD1 LEU A 30 15.889 -10.588 7.650 1.00 34.44 C ATOM 667 CD2 LEU A 30 15.967 -12.006 9.692 1.00 24.21 C ATOM 0 H LEU A 30 16.943 -12.621 6.012 1.00 0.04 H new ATOM 0 HA LEU A 30 14.446 -14.058 5.936 1.00 2.32 H new ATOM 0 HB2 LEU A 30 13.986 -12.486 7.962 1.00 20.41 H new ATOM 0 HB3 LEU A 30 15.049 -13.873 8.100 1.00 20.41 H new ATOM 0 HG LEU A 30 17.016 -12.368 7.867 1.00 54.54 H new ATOM 0 HD11 LEU A 30 16.683 -9.958 8.051 1.00 34.44 H new ATOM 0 HD12 LEU A 30 15.953 -10.603 6.562 1.00 34.44 H new ATOM 0 HD13 LEU A 30 14.921 -10.188 7.951 1.00 34.44 H new ATOM 0 HD21 LEU A 30 16.750 -11.367 10.100 1.00 24.21 H new ATOM 0 HD22 LEU A 30 14.993 -11.635 10.010 1.00 24.21 H new ATOM 0 HD23 LEU A 30 16.104 -13.024 10.056 1.00 24.21 H new ATOM 679 N ALA A 31 14.607 -10.915 5.045 1.00 13.00 N ATOM 680 CA ALA A 31 13.843 -9.838 4.417 1.00 53.21 C ATOM 681 C ALA A 31 13.285 -10.284 3.062 1.00 45.35 C ATOM 682 O ALA A 31 12.411 -9.624 2.493 1.00 64.14 O ATOM 683 CB ALA A 31 14.702 -8.592 4.258 1.00 32.31 C ATOM 0 H ALA A 31 15.613 -10.752 5.089 1.00 13.00 H new ATOM 0 HA ALA A 31 13.003 -9.595 5.068 1.00 53.21 H new ATOM 0 HB1 ALA A 31 14.115 -7.803 3.789 1.00 32.31 H new ATOM 0 HB2 ALA A 31 15.042 -8.257 5.238 1.00 32.31 H new ATOM 0 HB3 ALA A 31 15.565 -8.822 3.633 1.00 32.31 H new ATOM 689 N ALA A 32 13.786 -11.419 2.560 1.00 21.43 N ATOM 690 CA ALA A 32 13.328 -11.971 1.286 1.00 31.20 C ATOM 691 C ALA A 32 12.278 -13.053 1.528 1.00 72.33 C ATOM 692 O ALA A 32 11.287 -13.146 0.802 1.00 61.14 O ATOM 693 CB ALA A 32 14.500 -12.531 0.492 1.00 2.52 C ATOM 0 H ALA A 32 14.510 -11.971 3.020 1.00 21.43 H new ATOM 0 HA ALA A 32 12.874 -11.169 0.703 1.00 31.20 H new ATOM 0 HB1 ALA A 32 14.139 -12.937 -0.453 1.00 2.52 H new ATOM 0 HB2 ALA A 32 15.218 -11.736 0.294 1.00 2.52 H new ATOM 0 HB3 ALA A 32 14.983 -13.322 1.066 1.00 2.52 H new ATOM 699 N HIS A 33 12.500 -13.852 2.574 1.00 43.24 N ATOM 700 CA HIS A 33 11.586 -14.920 2.960 1.00 1.23 C ATOM 701 C HIS A 33 10.891 -14.545 4.271 1.00 61.14 C ATOM 702 O HIS A 33 10.739 -15.375 5.171 1.00 14.32 O ATOM 703 CB HIS A 33 12.348 -16.242 3.129 1.00 41.43 C ATOM 704 CG HIS A 33 13.187 -16.626 1.947 1.00 14.22 C ATOM 705 ND1 HIS A 33 12.785 -17.556 1.012 1.00 52.35 N ATOM 706 CD2 HIS A 33 14.422 -16.217 1.559 1.00 0.13 C ATOM 707 CE1 HIS A 33 13.730 -17.705 0.103 1.00 13.42 C ATOM 708 NE2 HIS A 33 14.734 -16.904 0.410 1.00 43.33 N ATOM 0 H HIS A 33 13.320 -13.774 3.175 1.00 43.24 H new ATOM 0 HA HIS A 33 10.839 -15.050 2.177 1.00 1.23 H new ATOM 0 HB2 HIS A 33 12.990 -16.168 4.007 1.00 41.43 H new ATOM 0 HB3 HIS A 33 11.631 -17.039 3.325 1.00 41.43 H new ATOM 0 HD2 HIS A 33 15.043 -15.489 2.059 1.00 0.13 H new ATOM 0 HE1 HIS A 33 13.689 -18.369 -0.748 1.00 13.42 H new ATOM 0 HE2 HIS A 33 15.601 -16.810 -0.120 1.00 43.33 H new ATOM 716 N ASP A 34 10.495 -13.276 4.377 1.00 42.54 N ATOM 717 CA ASP A 34 9.844 -12.763 5.572 1.00 52.21 C ATOM 718 C ASP A 34 8.402 -13.263 5.695 1.00 21.13 C ATOM 719 O ASP A 34 7.862 -13.326 6.800 1.00 71.41 O ATOM 720 CB ASP A 34 9.903 -11.229 5.559 1.00 1.33 C ATOM 721 CG ASP A 34 8.617 -10.584 5.070 1.00 71.54 C ATOM 722 OD1 ASP A 34 8.424 -10.510 3.838 1.00 32.42 O ATOM 723 OD2 ASP A 34 7.804 -10.159 5.915 1.00 31.20 O ATOM 0 H ASP A 34 10.618 -12.583 3.639 1.00 42.54 H new ATOM 0 HA ASP A 34 10.376 -13.136 6.447 1.00 52.21 H new ATOM 0 HB2 ASP A 34 10.121 -10.872 6.565 1.00 1.33 H new ATOM 0 HB3 ASP A 34 10.727 -10.909 4.922 1.00 1.33 H new ATOM 728 N ASN A 35 7.780 -13.607 4.559 1.00 41.03 N ATOM 729 CA ASN A 35 6.395 -14.092 4.550 1.00 44.03 C ATOM 730 C ASN A 35 5.441 -12.967 4.944 1.00 60.43 C ATOM 731 O ASN A 35 4.637 -13.102 5.870 1.00 3.13 O ATOM 732 CB ASN A 35 6.220 -15.292 5.496 1.00 33.23 C ATOM 733 CG ASN A 35 6.893 -16.551 4.980 1.00 55.54 C ATOM 734 OD1 ASN A 35 6.236 -17.441 4.439 1.00 11.22 O ATOM 735 ND2 ASN A 35 8.208 -16.637 5.153 1.00 5.23 N ATOM 0 H ASN A 35 8.214 -13.558 3.637 1.00 41.03 H new ATOM 0 HA ASN A 35 6.159 -14.422 3.538 1.00 44.03 H new ATOM 0 HB2 ASN A 35 6.631 -15.041 6.474 1.00 33.23 H new ATOM 0 HB3 ASN A 35 5.157 -15.486 5.637 1.00 33.23 H new ATOM 0 HD21 ASN A 35 8.712 -17.464 4.832 1.00 5.23 H new ATOM 0 HD22 ASN A 35 8.714 -15.876 5.606 1.00 5.23 H new ATOM 742 N LEU A 36 5.555 -11.848 4.233 1.00 3.32 N ATOM 743 CA LEU A 36 4.731 -10.674 4.492 1.00 24.14 C ATOM 744 C LEU A 36 3.256 -10.932 4.177 1.00 43.34 C ATOM 745 O LEU A 36 2.860 -11.004 3.010 1.00 74.22 O ATOM 746 CB LEU A 36 5.244 -9.490 3.668 1.00 32.11 C ATOM 747 CG LEU A 36 4.670 -8.124 4.048 1.00 12.43 C ATOM 748 CD1 LEU A 36 5.336 -7.592 5.309 1.00 11.22 C ATOM 749 CD2 LEU A 36 4.839 -7.145 2.896 1.00 62.23 C ATOM 0 H LEU A 36 6.217 -11.731 3.466 1.00 3.32 H new ATOM 0 HA LEU A 36 4.804 -10.443 5.555 1.00 24.14 H new ATOM 0 HB2 LEU A 36 6.329 -9.447 3.762 1.00 32.11 H new ATOM 0 HB3 LEU A 36 5.022 -9.678 2.617 1.00 32.11 H new ATOM 0 HG LEU A 36 3.606 -8.239 4.252 1.00 12.43 H new ATOM 0 HD11 LEU A 36 4.913 -6.620 5.561 1.00 11.22 H new ATOM 0 HD12 LEU A 36 5.165 -8.287 6.131 1.00 11.22 H new ATOM 0 HD13 LEU A 36 6.408 -7.488 5.138 1.00 11.22 H new ATOM 0 HD21 LEU A 36 4.427 -6.176 3.178 1.00 62.23 H new ATOM 0 HD22 LEU A 36 5.898 -7.035 2.665 1.00 62.23 H new ATOM 0 HD23 LEU A 36 4.313 -7.521 2.019 1.00 62.23 H new ATOM 761 N LYS A 37 2.447 -11.045 5.231 1.00 71.12 N ATOM 762 CA LYS A 37 1.008 -11.260 5.084 1.00 60.54 C ATOM 763 C LYS A 37 0.290 -9.926 5.252 1.00 24.21 C ATOM 764 O LYS A 37 0.382 -9.304 6.312 1.00 3.53 O ATOM 765 CB LYS A 37 0.503 -12.270 6.121 1.00 11.53 C ATOM 766 CG LYS A 37 0.253 -13.658 5.551 1.00 13.02 C ATOM 767 CD LYS A 37 -0.467 -14.552 6.552 1.00 72.43 C ATOM 768 CE LYS A 37 -1.914 -14.798 6.147 1.00 71.34 C ATOM 769 NZ LYS A 37 -2.301 -16.230 6.290 1.00 32.13 N ATOM 0 H LYS A 37 2.766 -10.991 6.198 1.00 71.12 H new ATOM 0 HA LYS A 37 0.803 -11.666 4.093 1.00 60.54 H new ATOM 0 HB2 LYS A 37 1.232 -12.344 6.928 1.00 11.53 H new ATOM 0 HB3 LYS A 37 -0.422 -11.895 6.560 1.00 11.53 H new ATOM 0 HG2 LYS A 37 -0.341 -13.577 4.641 1.00 13.02 H new ATOM 0 HG3 LYS A 37 1.203 -14.114 5.272 1.00 13.02 H new ATOM 0 HD2 LYS A 37 0.056 -15.505 6.631 1.00 72.43 H new ATOM 0 HD3 LYS A 37 -0.439 -14.090 7.539 1.00 72.43 H new ATOM 0 HE2 LYS A 37 -2.571 -14.182 6.761 1.00 71.34 H new ATOM 0 HE3 LYS A 37 -2.059 -14.485 5.113 1.00 71.34 H new ATOM 0 HZ1 LYS A 37 -3.151 -16.418 5.721 1.00 32.13 H new ATOM 0 HZ2 LYS A 37 -1.522 -16.835 5.960 1.00 32.13 H new ATOM 0 HZ3 LYS A 37 -2.501 -16.438 7.289 1.00 32.13 H new ATOM 783 N LEU A 38 -0.387 -9.463 4.198 1.00 53.05 N ATOM 784 CA LEU A 38 -1.071 -8.170 4.245 1.00 55.31 C ATOM 785 C LEU A 38 -2.593 -8.290 4.231 1.00 42.42 C ATOM 786 O LEU A 38 -3.163 -9.150 3.559 1.00 35.15 O ATOM 787 CB LEU A 38 -0.628 -7.291 3.069 1.00 51.31 C ATOM 788 CG LEU A 38 0.868 -6.954 3.003 1.00 54.31 C ATOM 789 CD1 LEU A 38 1.541 -7.148 4.353 1.00 13.53 C ATOM 790 CD2 LEU A 38 1.555 -7.793 1.940 1.00 32.41 C ATOM 0 H LEU A 38 -0.475 -9.959 3.311 1.00 53.05 H new ATOM 0 HA LEU A 38 -0.789 -7.713 5.194 1.00 55.31 H new ATOM 0 HB2 LEU A 38 -0.908 -7.792 2.142 1.00 51.31 H new ATOM 0 HB3 LEU A 38 -1.189 -6.357 3.109 1.00 51.31 H new ATOM 0 HG LEU A 38 0.961 -5.902 2.733 1.00 54.31 H new ATOM 0 HD11 LEU A 38 2.599 -6.901 4.271 1.00 13.53 H new ATOM 0 HD12 LEU A 38 1.072 -6.496 5.090 1.00 13.53 H new ATOM 0 HD13 LEU A 38 1.434 -8.186 4.667 1.00 13.53 H new ATOM 0 HD21 LEU A 38 2.615 -7.541 1.907 1.00 32.41 H new ATOM 0 HD22 LEU A 38 1.440 -8.850 2.180 1.00 32.41 H new ATOM 0 HD23 LEU A 38 1.103 -7.591 0.969 1.00 32.41 H new ATOM 802 N THR A 39 -3.232 -7.375 4.958 1.00 4.12 N ATOM 803 CA THR A 39 -4.689 -7.291 5.037 1.00 34.14 C ATOM 804 C THR A 39 -5.096 -5.850 4.794 1.00 60.12 C ATOM 805 O THR A 39 -4.569 -4.934 5.425 1.00 0.32 O ATOM 806 CB THR A 39 -5.195 -7.772 6.401 1.00 24.24 C ATOM 807 OG1 THR A 39 -4.680 -9.061 6.711 1.00 60.24 O ATOM 808 CG2 THR A 39 -6.706 -7.849 6.487 1.00 13.24 C ATOM 0 H THR A 39 -2.750 -6.667 5.512 1.00 4.12 H new ATOM 0 HA THR A 39 -5.134 -7.938 4.281 1.00 34.14 H new ATOM 0 HB THR A 39 -4.842 -7.027 7.114 1.00 24.24 H new ATOM 0 HG1 THR A 39 -5.016 -9.345 7.587 1.00 60.24 H new ATOM 0 HG21 THR A 39 -6.997 -8.196 7.478 1.00 13.24 H new ATOM 0 HG22 THR A 39 -7.131 -6.861 6.309 1.00 13.24 H new ATOM 0 HG23 THR A 39 -7.078 -8.545 5.735 1.00 13.24 H new ATOM 816 N ILE A 40 -5.997 -5.654 3.847 1.00 63.45 N ATOM 817 CA ILE A 40 -6.437 -4.319 3.480 1.00 32.40 C ATOM 818 C ILE A 40 -7.828 -3.998 4.034 1.00 3.04 C ATOM 819 O ILE A 40 -8.791 -4.726 3.782 1.00 63.13 O ATOM 820 CB ILE A 40 -6.453 -4.163 1.944 1.00 13.50 C ATOM 821 CG1 ILE A 40 -5.285 -4.922 1.295 1.00 43.23 C ATOM 822 CG2 ILE A 40 -6.414 -2.698 1.548 1.00 45.13 C ATOM 823 CD1 ILE A 40 -3.945 -4.234 1.443 1.00 40.54 C ATOM 0 H ILE A 40 -6.439 -6.405 3.317 1.00 63.45 H new ATOM 0 HA ILE A 40 -5.727 -3.618 3.919 1.00 32.40 H new ATOM 0 HB ILE A 40 -7.384 -4.596 1.579 1.00 13.50 H new ATOM 0 HG12 ILE A 40 -5.222 -5.917 1.736 1.00 43.23 H new ATOM 0 HG13 ILE A 40 -5.497 -5.057 0.234 1.00 43.23 H new ATOM 0 HG21 ILE A 40 -6.426 -2.614 0.461 1.00 45.13 H new ATOM 0 HG22 ILE A 40 -7.283 -2.186 1.961 1.00 45.13 H new ATOM 0 HG23 ILE A 40 -5.505 -2.240 1.937 1.00 45.13 H new ATOM 0 HD11 ILE A 40 -3.173 -4.832 0.959 1.00 40.54 H new ATOM 0 HD12 ILE A 40 -3.988 -3.250 0.976 1.00 40.54 H new ATOM 0 HD13 ILE A 40 -3.708 -4.123 2.501 1.00 40.54 H new ATOM 835 N THR A 41 -7.919 -2.892 4.778 1.00 54.24 N ATOM 836 CA THR A 41 -9.182 -2.439 5.366 1.00 51.53 C ATOM 837 C THR A 41 -9.206 -0.908 5.436 1.00 13.25 C ATOM 838 O THR A 41 -8.259 -0.293 5.929 1.00 34.23 O ATOM 839 CB THR A 41 -9.374 -3.031 6.768 1.00 54.44 C ATOM 840 OG1 THR A 41 -8.130 -3.198 7.430 1.00 3.41 O ATOM 841 CG2 THR A 41 -10.074 -4.375 6.761 1.00 35.25 C ATOM 0 H THR A 41 -7.124 -2.289 4.989 1.00 54.24 H new ATOM 0 HA THR A 41 -10.000 -2.783 4.733 1.00 51.53 H new ATOM 0 HB THR A 41 -10.002 -2.312 7.294 1.00 54.44 H new ATOM 0 HG1 THR A 41 -7.540 -2.446 7.213 1.00 3.41 H new ATOM 0 HG21 THR A 41 -10.177 -4.737 7.784 1.00 35.25 H new ATOM 0 HG22 THR A 41 -11.062 -4.269 6.312 1.00 35.25 H new ATOM 0 HG23 THR A 41 -9.487 -5.088 6.182 1.00 35.25 H new ATOM 849 N GLN A 42 -10.277 -0.295 4.921 1.00 12.40 N ATOM 850 CA GLN A 42 -10.391 1.168 4.910 1.00 11.23 C ATOM 851 C GLN A 42 -11.788 1.644 5.293 1.00 64.22 C ATOM 852 O GLN A 42 -12.783 0.957 5.052 1.00 53.05 O ATOM 853 CB GLN A 42 -10.045 1.694 3.515 1.00 71.12 C ATOM 854 CG GLN A 42 -9.981 3.216 3.389 1.00 31.40 C ATOM 855 CD GLN A 42 -10.779 3.720 2.202 1.00 54.33 C ATOM 856 OE1 GLN A 42 -12.006 3.631 2.186 1.00 22.20 O ATOM 857 NE2 GLN A 42 -10.086 4.247 1.198 1.00 60.41 N ATOM 0 H GLN A 42 -11.072 -0.784 4.509 1.00 12.40 H new ATOM 0 HA GLN A 42 -9.694 1.556 5.653 1.00 11.23 H new ATOM 0 HB2 GLN A 42 -9.082 1.280 3.217 1.00 71.12 H new ATOM 0 HB3 GLN A 42 -10.785 1.318 2.809 1.00 71.12 H new ATOM 0 HG2 GLN A 42 -10.362 3.672 4.303 1.00 31.40 H new ATOM 0 HG3 GLN A 42 -8.942 3.528 3.287 1.00 31.40 H new ATOM 0 HE21 GLN A 42 -9.069 4.301 1.253 1.00 60.41 H new ATOM 0 HE22 GLN A 42 -10.571 4.598 0.372 1.00 60.41 H new ATOM 866 N GLU A 43 -11.844 2.848 5.860 1.00 44.32 N ATOM 867 CA GLU A 43 -13.100 3.474 6.254 1.00 55.23 C ATOM 868 C GLU A 43 -13.038 4.968 5.939 1.00 62.13 C ATOM 869 O GLU A 43 -12.850 5.800 6.830 1.00 44.33 O ATOM 870 CB GLU A 43 -13.370 3.260 7.743 1.00 52.44 C ATOM 871 CG GLU A 43 -13.249 1.809 8.192 1.00 11.51 C ATOM 872 CD GLU A 43 -14.165 1.474 9.354 1.00 4.24 C ATOM 873 OE1 GLU A 43 -15.396 1.620 9.202 1.00 12.14 O ATOM 874 OE2 GLU A 43 -13.652 1.060 10.415 1.00 11.50 O ATOM 0 H GLU A 43 -11.019 3.415 6.058 1.00 44.32 H new ATOM 0 HA GLU A 43 -13.915 3.015 5.695 1.00 55.23 H new ATOM 0 HB2 GLU A 43 -12.672 3.867 8.319 1.00 52.44 H new ATOM 0 HB3 GLU A 43 -14.373 3.619 7.975 1.00 52.44 H new ATOM 0 HG2 GLU A 43 -13.480 1.153 7.352 1.00 11.51 H new ATOM 0 HG3 GLU A 43 -12.217 1.607 8.479 1.00 11.51 H new ATOM 881 N GLY A 44 -13.173 5.295 4.658 1.00 54.53 N ATOM 882 CA GLY A 44 -13.110 6.683 4.226 1.00 74.33 C ATOM 883 C GLY A 44 -11.796 7.037 3.586 1.00 73.43 C ATOM 884 O GLY A 44 -11.399 6.451 2.580 1.00 0.12 O ATOM 0 H GLY A 44 -13.326 4.622 3.907 1.00 54.53 H new ATOM 0 HA2 GLY A 44 -13.917 6.875 3.518 1.00 74.33 H new ATOM 0 HA3 GLY A 44 -13.277 7.334 5.084 1.00 74.33 H new ATOM 888 N ASN A 45 -11.128 7.998 4.182 1.00 43.43 N ATOM 889 CA ASN A 45 -9.837 8.462 3.708 1.00 4.35 C ATOM 890 C ASN A 45 -8.736 7.954 4.637 1.00 15.04 C ATOM 891 O ASN A 45 -7.600 8.425 4.595 1.00 13.00 O ATOM 892 CB ASN A 45 -9.849 9.994 3.629 1.00 51.14 C ATOM 893 CG ASN A 45 -9.118 10.669 4.781 1.00 52.31 C ATOM 894 OD1 ASN A 45 -9.543 10.585 5.934 1.00 72.44 O ATOM 895 ND2 ASN A 45 -8.013 11.342 4.475 1.00 42.33 N ATOM 0 H ASN A 45 -11.463 8.484 5.013 1.00 43.43 H new ATOM 0 HA ASN A 45 -9.638 8.071 2.710 1.00 4.35 H new ATOM 0 HB2 ASN A 45 -9.393 10.305 2.689 1.00 51.14 H new ATOM 0 HB3 ASN A 45 -10.882 10.341 3.612 1.00 51.14 H new ATOM 0 HD21 ASN A 45 -7.483 11.813 5.208 1.00 42.33 H new ATOM 0 HD22 ASN A 45 -7.695 11.387 3.507 1.00 42.33 H new ATOM 902 N LYS A 46 -9.087 6.968 5.462 1.00 21.13 N ATOM 903 CA LYS A 46 -8.145 6.376 6.398 1.00 43.55 C ATOM 904 C LYS A 46 -8.029 4.885 6.135 1.00 42.34 C ATOM 905 O LYS A 46 -8.994 4.134 6.306 1.00 1.03 O ATOM 906 CB LYS A 46 -8.582 6.641 7.843 1.00 0.23 C ATOM 907 CG LYS A 46 -7.799 5.848 8.880 1.00 40.04 C ATOM 908 CD LYS A 46 -7.967 6.429 10.277 1.00 20.10 C ATOM 909 CE LYS A 46 -9.193 5.865 10.985 1.00 4.01 C ATOM 910 NZ LYS A 46 -9.178 4.373 11.048 1.00 33.42 N ATOM 0 H LYS A 46 -10.023 6.564 5.497 1.00 21.13 H new ATOM 0 HA LYS A 46 -7.167 6.835 6.254 1.00 43.55 H new ATOM 0 HB2 LYS A 46 -8.474 7.705 8.056 1.00 0.23 H new ATOM 0 HB3 LYS A 46 -9.641 6.403 7.941 1.00 0.23 H new ATOM 0 HG2 LYS A 46 -8.134 4.811 8.874 1.00 40.04 H new ATOM 0 HG3 LYS A 46 -6.742 5.843 8.613 1.00 40.04 H new ATOM 0 HD2 LYS A 46 -7.076 6.215 10.868 1.00 20.10 H new ATOM 0 HD3 LYS A 46 -8.053 7.514 10.211 1.00 20.10 H new ATOM 0 HE2 LYS A 46 -9.243 6.268 11.996 1.00 4.01 H new ATOM 0 HE3 LYS A 46 -10.093 6.195 10.466 1.00 4.01 H new ATOM 0 HZ1 LYS A 46 -9.694 4.056 11.894 1.00 33.42 H new ATOM 0 HZ2 LYS A 46 -9.635 3.985 10.198 1.00 33.42 H new ATOM 0 HZ3 LYS A 46 -8.195 4.037 11.096 1.00 33.42 H new ATOM 924 N PHE A 47 -6.852 4.471 5.696 1.00 54.12 N ATOM 925 CA PHE A 47 -6.605 3.077 5.380 1.00 23.11 C ATOM 926 C PHE A 47 -5.664 2.437 6.380 1.00 33.44 C ATOM 927 O PHE A 47 -4.688 3.051 6.818 1.00 43.04 O ATOM 928 CB PHE A 47 -6.019 2.963 3.980 1.00 1.40 C ATOM 929 CG PHE A 47 -6.699 1.945 3.123 1.00 51.31 C ATOM 930 CD1 PHE A 47 -6.787 0.629 3.534 1.00 71.12 C ATOM 931 CD2 PHE A 47 -7.260 2.309 1.910 1.00 62.42 C ATOM 932 CE1 PHE A 47 -7.424 -0.309 2.749 1.00 25.43 C ATOM 933 CE2 PHE A 47 -7.896 1.374 1.118 1.00 40.13 C ATOM 934 CZ PHE A 47 -7.978 0.062 1.538 1.00 72.21 C ATOM 0 H PHE A 47 -6.050 5.085 5.550 1.00 54.12 H new ATOM 0 HA PHE A 47 -7.557 2.549 5.428 1.00 23.11 H new ATOM 0 HB2 PHE A 47 -6.079 3.935 3.491 1.00 1.40 H new ATOM 0 HB3 PHE A 47 -4.962 2.711 4.058 1.00 1.40 H new ATOM 0 HD1 PHE A 47 -6.353 0.332 4.478 1.00 71.12 H new ATOM 0 HD2 PHE A 47 -7.199 3.336 1.580 1.00 62.42 H new ATOM 0 HE1 PHE A 47 -7.490 -1.335 3.081 1.00 25.43 H new ATOM 0 HE2 PHE A 47 -8.328 1.668 0.173 1.00 40.13 H new ATOM 0 HZ PHE A 47 -8.474 -0.673 0.922 1.00 72.21 H new ATOM 944 N THR A 48 -5.956 1.190 6.711 1.00 41.33 N ATOM 945 CA THR A 48 -5.132 0.433 7.639 1.00 22.53 C ATOM 946 C THR A 48 -4.837 -0.947 7.078 1.00 32.44 C ATOM 947 O THR A 48 -5.752 -1.692 6.717 1.00 34.13 O ATOM 948 CB THR A 48 -5.799 0.312 9.014 1.00 32.31 C ATOM 949 OG1 THR A 48 -6.307 1.566 9.443 1.00 52.13 O ATOM 950 CG2 THR A 48 -4.858 -0.197 10.092 1.00 42.12 C ATOM 0 H THR A 48 -6.761 0.679 6.349 1.00 41.33 H new ATOM 0 HA THR A 48 -4.195 0.975 7.768 1.00 22.53 H new ATOM 0 HB THR A 48 -6.603 -0.412 8.881 1.00 32.31 H new ATOM 0 HG1 THR A 48 -6.730 1.465 10.321 1.00 52.13 H new ATOM 0 HG21 THR A 48 -5.391 -0.260 11.041 1.00 42.12 H new ATOM 0 HG22 THR A 48 -4.490 -1.185 9.817 1.00 42.12 H new ATOM 0 HG23 THR A 48 -4.016 0.488 10.194 1.00 42.12 H new ATOM 958 N VAL A 49 -3.553 -1.278 7.000 1.00 51.55 N ATOM 959 CA VAL A 49 -3.128 -2.563 6.481 1.00 11.04 C ATOM 960 C VAL A 49 -2.202 -3.266 7.466 1.00 32.14 C ATOM 961 O VAL A 49 -1.192 -2.706 7.900 1.00 64.22 O ATOM 962 CB VAL A 49 -2.427 -2.414 5.117 1.00 63.23 C ATOM 963 CG1 VAL A 49 -3.399 -1.883 4.070 1.00 24.14 C ATOM 964 CG2 VAL A 49 -1.206 -1.512 5.218 1.00 12.03 C ATOM 0 H VAL A 49 -2.789 -0.668 7.292 1.00 51.55 H new ATOM 0 HA VAL A 49 -4.023 -3.170 6.342 1.00 11.04 H new ATOM 0 HB VAL A 49 -2.087 -3.402 4.807 1.00 63.23 H new ATOM 0 HG11 VAL A 49 -2.886 -1.785 3.114 1.00 24.14 H new ATOM 0 HG12 VAL A 49 -4.234 -2.576 3.964 1.00 24.14 H new ATOM 0 HG13 VAL A 49 -3.774 -0.908 4.383 1.00 24.14 H new ATOM 0 HG21 VAL A 49 -0.734 -1.427 4.239 1.00 12.03 H new ATOM 0 HG22 VAL A 49 -1.511 -0.523 5.560 1.00 12.03 H new ATOM 0 HG23 VAL A 49 -0.496 -1.938 5.927 1.00 12.03 H new ATOM 974 N LYS A 50 -2.562 -4.494 7.825 1.00 51.25 N ATOM 975 CA LYS A 50 -1.771 -5.276 8.770 1.00 34.22 C ATOM 976 C LYS A 50 -0.675 -6.054 8.049 1.00 73.11 C ATOM 977 O LYS A 50 -0.949 -6.785 7.097 1.00 25.42 O ATOM 978 CB LYS A 50 -2.673 -6.231 9.553 1.00 34.45 C ATOM 979 CG LYS A 50 -2.142 -6.578 10.933 1.00 53.15 C ATOM 980 CD LYS A 50 -1.276 -7.827 10.903 1.00 3.50 C ATOM 981 CE LYS A 50 -0.890 -8.266 12.306 1.00 13.15 C ATOM 982 NZ LYS A 50 -1.946 -9.105 12.941 1.00 34.21 N ATOM 0 H LYS A 50 -3.395 -4.969 7.477 1.00 51.25 H new ATOM 0 HA LYS A 50 -1.296 -4.588 9.469 1.00 34.22 H new ATOM 0 HB2 LYS A 50 -3.661 -5.782 9.656 1.00 34.45 H new ATOM 0 HB3 LYS A 50 -2.799 -7.150 8.980 1.00 34.45 H new ATOM 0 HG2 LYS A 50 -1.561 -5.741 11.321 1.00 53.15 H new ATOM 0 HG3 LYS A 50 -2.977 -6.730 11.617 1.00 53.15 H new ATOM 0 HD2 LYS A 50 -1.813 -8.633 10.403 1.00 3.50 H new ATOM 0 HD3 LYS A 50 -0.376 -7.634 10.320 1.00 3.50 H new ATOM 0 HE2 LYS A 50 0.043 -8.828 12.266 1.00 13.15 H new ATOM 0 HE3 LYS A 50 -0.706 -7.386 12.923 1.00 13.15 H new ATOM 0 HZ1 LYS A 50 -1.642 -9.382 13.896 1.00 34.21 H new ATOM 0 HZ2 LYS A 50 -2.830 -8.561 13.004 1.00 34.21 H new ATOM 0 HZ3 LYS A 50 -2.104 -9.958 12.367 1.00 34.21 H new ATOM 996 N GLU A 51 0.567 -5.884 8.506 1.00 41.41 N ATOM 997 CA GLU A 51 1.711 -6.564 7.901 1.00 2.42 C ATOM 998 C GLU A 51 2.478 -7.384 8.937 1.00 40.32 C ATOM 999 O GLU A 51 2.968 -6.841 9.932 1.00 43.43 O ATOM 1000 CB GLU A 51 2.655 -5.546 7.247 1.00 24.43 C ATOM 1001 CG GLU A 51 1.963 -4.598 6.278 1.00 2.05 C ATOM 1002 CD GLU A 51 2.938 -3.887 5.356 1.00 1.34 C ATOM 1003 OE1 GLU A 51 3.650 -2.977 5.831 1.00 61.22 O ATOM 1004 OE2 GLU A 51 2.987 -4.239 4.159 1.00 43.54 O ATOM 0 H GLU A 51 0.805 -5.281 9.293 1.00 41.41 H new ATOM 0 HA GLU A 51 1.328 -7.242 7.138 1.00 2.42 H new ATOM 0 HB2 GLU A 51 3.140 -4.961 8.028 1.00 24.43 H new ATOM 0 HB3 GLU A 51 3.441 -6.083 6.716 1.00 24.43 H new ATOM 0 HG2 GLU A 51 1.245 -5.158 5.679 1.00 2.05 H new ATOM 0 HG3 GLU A 51 1.397 -3.857 6.843 1.00 2.05 H new ATOM 1011 N SER A 52 2.581 -8.691 8.698 1.00 34.51 N ATOM 1012 CA SER A 52 3.291 -9.584 9.604 1.00 24.54 C ATOM 1013 C SER A 52 4.504 -10.196 8.909 1.00 41.21 C ATOM 1014 O SER A 52 4.382 -10.790 7.835 1.00 12.32 O ATOM 1015 CB SER A 52 2.360 -10.689 10.103 1.00 0.53 C ATOM 1016 OG SER A 52 1.576 -11.224 9.050 1.00 74.44 O ATOM 0 H SER A 52 2.180 -9.153 7.882 1.00 34.51 H new ATOM 0 HA SER A 52 3.634 -9.002 10.459 1.00 24.54 H new ATOM 0 HB2 SER A 52 2.950 -11.484 10.559 1.00 0.53 H new ATOM 0 HB3 SER A 52 1.706 -10.292 10.879 1.00 0.53 H new ATOM 0 HG SER A 52 0.993 -11.929 9.402 1.00 74.44 H new ATOM 1022 N SER A 53 5.674 -10.041 9.527 1.00 31.11 N ATOM 1023 CA SER A 53 6.914 -10.573 8.971 1.00 14.42 C ATOM 1024 C SER A 53 7.460 -11.712 9.830 1.00 73.11 C ATOM 1025 O SER A 53 6.862 -12.086 10.842 1.00 45.21 O ATOM 1026 CB SER A 53 7.959 -9.458 8.841 1.00 24.21 C ATOM 1027 OG SER A 53 8.373 -8.988 10.113 1.00 41.33 O ATOM 0 H SER A 53 5.788 -9.550 10.414 1.00 31.11 H new ATOM 0 HA SER A 53 6.696 -10.972 7.980 1.00 14.42 H new ATOM 0 HB2 SER A 53 8.823 -9.829 8.289 1.00 24.21 H new ATOM 0 HB3 SER A 53 7.543 -8.632 8.264 1.00 24.21 H new ATOM 0 HG SER A 53 7.600 -8.949 10.715 1.00 41.33 H new ATOM 1033 N ALA A 54 8.599 -12.260 9.416 1.00 53.43 N ATOM 1034 CA ALA A 54 9.230 -13.358 10.137 1.00 52.45 C ATOM 1035 C ALA A 54 9.866 -12.898 11.450 1.00 3.21 C ATOM 1036 O ALA A 54 9.988 -13.689 12.387 1.00 22.41 O ATOM 1037 CB ALA A 54 10.279 -14.028 9.258 1.00 53.02 C ATOM 0 H ALA A 54 9.104 -11.960 8.582 1.00 53.43 H new ATOM 0 HA ALA A 54 8.447 -14.075 10.386 1.00 52.45 H new ATOM 0 HB1 ALA A 54 10.744 -14.847 9.807 1.00 53.02 H new ATOM 0 HB2 ALA A 54 9.804 -14.418 8.358 1.00 53.02 H new ATOM 0 HB3 ALA A 54 11.040 -13.299 8.980 1.00 53.02 H new ATOM 1043 N PHE A 55 10.297 -11.632 11.510 1.00 40.31 N ATOM 1044 CA PHE A 55 10.952 -11.107 12.712 1.00 4.13 C ATOM 1045 C PHE A 55 10.097 -10.108 13.503 1.00 13.44 C ATOM 1046 O PHE A 55 10.372 -9.875 14.682 1.00 34.45 O ATOM 1047 CB PHE A 55 12.301 -10.469 12.353 1.00 55.21 C ATOM 1048 CG PHE A 55 12.254 -9.533 11.179 1.00 23.13 C ATOM 1049 CD1 PHE A 55 12.439 -10.009 9.892 1.00 2.34 C ATOM 1050 CD2 PHE A 55 12.036 -8.178 11.364 1.00 11.33 C ATOM 1051 CE1 PHE A 55 12.406 -9.152 8.810 1.00 64.22 C ATOM 1052 CE2 PHE A 55 12.004 -7.314 10.286 1.00 72.12 C ATOM 1053 CZ PHE A 55 12.189 -7.802 9.007 1.00 72.43 C ATOM 0 H PHE A 55 10.205 -10.959 10.749 1.00 40.31 H new ATOM 0 HA PHE A 55 11.104 -11.967 13.365 1.00 4.13 H new ATOM 0 HB2 PHE A 55 12.674 -9.925 13.221 1.00 55.21 H new ATOM 0 HB3 PHE A 55 13.019 -11.262 12.141 1.00 55.21 H new ATOM 0 HD1 PHE A 55 12.611 -11.063 9.733 1.00 2.34 H new ATOM 0 HD2 PHE A 55 11.889 -7.792 12.362 1.00 11.33 H new ATOM 0 HE1 PHE A 55 12.550 -9.537 7.811 1.00 64.22 H new ATOM 0 HE2 PHE A 55 11.835 -6.259 10.443 1.00 72.12 H new ATOM 0 HZ PHE A 55 12.164 -7.129 8.162 1.00 72.43 H new ATOM 1063 N ARG A 56 9.077 -9.505 12.881 1.00 34.30 N ATOM 1064 CA ARG A 56 8.240 -8.532 13.592 1.00 13.05 C ATOM 1065 C ARG A 56 6.788 -8.540 13.108 1.00 72.24 C ATOM 1066 O ARG A 56 6.457 -9.162 12.096 1.00 13.31 O ATOM 1067 CB ARG A 56 8.834 -7.123 13.461 1.00 13.22 C ATOM 1068 CG ARG A 56 8.709 -6.519 12.069 1.00 32.30 C ATOM 1069 CD ARG A 56 9.012 -5.028 12.084 1.00 24.50 C ATOM 1070 NE ARG A 56 8.498 -4.346 10.895 1.00 53.23 N ATOM 1071 CZ ARG A 56 8.207 -3.041 10.847 1.00 71.23 C ATOM 1072 NH1 ARG A 56 8.391 -2.267 11.917 1.00 1.03 N ATOM 1073 NH2 ARG A 56 7.738 -2.510 9.723 1.00 24.10 N ATOM 0 H ARG A 56 8.815 -9.668 11.909 1.00 34.30 H new ATOM 0 HA ARG A 56 8.230 -8.828 14.641 1.00 13.05 H new ATOM 0 HB2 ARG A 56 8.340 -6.465 14.176 1.00 13.22 H new ATOM 0 HB3 ARG A 56 9.888 -7.158 13.736 1.00 13.22 H new ATOM 0 HG2 ARG A 56 9.394 -7.025 11.388 1.00 32.30 H new ATOM 0 HG3 ARG A 56 7.701 -6.684 11.688 1.00 32.30 H new ATOM 0 HD2 ARG A 56 8.574 -4.579 12.976 1.00 24.50 H new ATOM 0 HD3 ARG A 56 10.090 -4.879 12.149 1.00 24.50 H new ATOM 0 HE ARG A 56 8.353 -4.900 10.051 1.00 53.23 H new ATOM 0 HH11 ARG A 56 8.756 -2.669 12.780 1.00 1.03 H new ATOM 0 HH12 ARG A 56 8.167 -1.273 11.872 1.00 1.03 H new ATOM 0 HH21 ARG A 56 7.601 -3.097 8.900 1.00 24.10 H new ATOM 0 HH22 ARG A 56 7.515 -1.515 9.683 1.00 24.10 H new ATOM 1087 N ASN A 57 5.930 -7.835 13.850 1.00 31.42 N ATOM 1088 CA ASN A 57 4.508 -7.742 13.523 1.00 54.41 C ATOM 1089 C ASN A 57 3.967 -6.356 13.878 1.00 74.24 C ATOM 1090 O ASN A 57 4.115 -5.906 15.016 1.00 24.15 O ATOM 1091 CB ASN A 57 3.736 -8.815 14.296 1.00 24.20 C ATOM 1092 CG ASN A 57 2.316 -8.993 13.801 1.00 73.23 C ATOM 1093 OD1 ASN A 57 1.478 -8.106 13.956 1.00 51.04 O ATOM 1094 ND2 ASN A 57 2.035 -10.148 13.208 1.00 62.42 N ATOM 0 H ASN A 57 6.200 -7.318 14.687 1.00 31.42 H new ATOM 0 HA ASN A 57 4.380 -7.900 12.452 1.00 54.41 H new ATOM 0 HB2 ASN A 57 4.265 -9.765 14.215 1.00 24.20 H new ATOM 0 HB3 ASN A 57 3.716 -8.550 15.353 1.00 24.20 H new ATOM 0 HD21 ASN A 57 1.093 -10.327 12.860 1.00 62.42 H new ATOM 0 HD22 ASN A 57 2.761 -10.856 13.101 1.00 62.42 H new ATOM 1101 N ILE A 58 3.333 -5.687 12.905 1.00 25.12 N ATOM 1102 CA ILE A 58 2.769 -4.350 13.130 1.00 3.13 C ATOM 1103 C ILE A 58 1.687 -4.002 12.102 1.00 64.23 C ATOM 1104 O ILE A 58 1.704 -4.488 10.969 1.00 22.31 O ATOM 1105 CB ILE A 58 3.850 -3.237 13.083 1.00 20.51 C ATOM 1106 CG1 ILE A 58 4.573 -3.229 11.731 1.00 52.23 C ATOM 1107 CG2 ILE A 58 4.850 -3.393 14.220 1.00 75.41 C ATOM 1108 CD1 ILE A 58 4.883 -1.835 11.222 1.00 21.30 C ATOM 0 H ILE A 58 3.199 -6.047 11.960 1.00 25.12 H new ATOM 0 HA ILE A 58 2.332 -4.389 14.128 1.00 3.13 H new ATOM 0 HB ILE A 58 3.342 -2.280 13.206 1.00 20.51 H new ATOM 0 HG12 ILE A 58 5.503 -3.790 11.822 1.00 52.23 H new ATOM 0 HG13 ILE A 58 3.958 -3.748 10.996 1.00 52.23 H new ATOM 0 HG21 ILE A 58 5.595 -2.599 14.161 1.00 75.41 H new ATOM 0 HG22 ILE A 58 4.328 -3.330 15.175 1.00 75.41 H new ATOM 0 HG23 ILE A 58 5.344 -4.361 14.140 1.00 75.41 H new ATOM 0 HD11 ILE A 58 5.394 -1.904 10.262 1.00 21.30 H new ATOM 0 HD12 ILE A 58 3.954 -1.278 11.099 1.00 21.30 H new ATOM 0 HD13 ILE A 58 5.523 -1.320 11.938 1.00 21.30 H new ATOM 1120 N GLU A 59 0.770 -3.126 12.507 1.00 54.42 N ATOM 1121 CA GLU A 59 -0.311 -2.654 11.641 1.00 12.40 C ATOM 1122 C GLU A 59 -0.192 -1.140 11.483 1.00 51.03 C ATOM 1123 O GLU A 59 0.082 -0.435 12.457 1.00 71.13 O ATOM 1124 CB GLU A 59 -1.685 -3.042 12.212 1.00 32.22 C ATOM 1125 CG GLU A 59 -2.056 -2.328 13.506 1.00 25.31 C ATOM 1126 CD GLU A 59 -1.251 -2.813 14.694 1.00 15.25 C ATOM 1127 OE1 GLU A 59 -1.568 -3.895 15.228 1.00 51.24 O ATOM 1128 OE2 GLU A 59 -0.298 -2.112 15.087 1.00 33.42 O ATOM 0 H GLU A 59 0.754 -2.723 13.444 1.00 54.42 H new ATOM 0 HA GLU A 59 -0.224 -3.128 10.663 1.00 12.40 H new ATOM 0 HB2 GLU A 59 -2.448 -2.830 11.463 1.00 32.22 H new ATOM 0 HB3 GLU A 59 -1.701 -4.118 12.388 1.00 32.22 H new ATOM 0 HG2 GLU A 59 -1.902 -1.256 13.381 1.00 25.31 H new ATOM 0 HG3 GLU A 59 -3.117 -2.476 13.707 1.00 25.31 H new ATOM 1135 N VAL A 60 -0.361 -0.641 10.259 1.00 43.31 N ATOM 1136 CA VAL A 60 -0.232 0.796 10.011 1.00 60.32 C ATOM 1137 C VAL A 60 -1.535 1.411 9.508 1.00 25.40 C ATOM 1138 O VAL A 60 -2.229 0.829 8.673 1.00 41.11 O ATOM 1139 CB VAL A 60 0.899 1.094 8.998 1.00 33.43 C ATOM 1140 CG1 VAL A 60 0.943 2.577 8.648 1.00 11.33 C ATOM 1141 CG2 VAL A 60 2.245 0.635 9.545 1.00 22.33 C ATOM 0 H VAL A 60 -0.584 -1.199 9.435 1.00 43.31 H new ATOM 0 HA VAL A 60 0.016 1.250 10.970 1.00 60.32 H new ATOM 0 HB VAL A 60 0.688 0.536 8.085 1.00 33.43 H new ATOM 0 HG11 VAL A 60 1.747 2.759 7.934 1.00 11.33 H new ATOM 0 HG12 VAL A 60 -0.008 2.875 8.207 1.00 11.33 H new ATOM 0 HG13 VAL A 60 1.122 3.159 9.552 1.00 11.33 H new ATOM 0 HG21 VAL A 60 3.027 0.853 8.818 1.00 22.33 H new ATOM 0 HG22 VAL A 60 2.458 1.161 10.476 1.00 22.33 H new ATOM 0 HG23 VAL A 60 2.214 -0.438 9.733 1.00 22.33 H new ATOM 1151 N VAL A 61 -1.843 2.607 10.015 1.00 51.31 N ATOM 1152 CA VAL A 61 -3.045 3.334 9.618 1.00 14.14 C ATOM 1153 C VAL A 61 -2.676 4.736 9.130 1.00 23.40 C ATOM 1154 O VAL A 61 -2.087 5.527 9.870 1.00 4.12 O ATOM 1155 CB VAL A 61 -4.074 3.432 10.771 1.00 72.31 C ATOM 1156 CG1 VAL A 61 -3.426 3.945 12.051 1.00 62.11 C ATOM 1157 CG2 VAL A 61 -5.250 4.312 10.370 1.00 63.33 C ATOM 0 H VAL A 61 -1.271 3.093 10.706 1.00 51.31 H new ATOM 0 HA VAL A 61 -3.510 2.774 8.807 1.00 14.14 H new ATOM 0 HB VAL A 61 -4.448 2.428 10.969 1.00 72.31 H new ATOM 0 HG11 VAL A 61 -4.175 4.002 12.841 1.00 62.11 H new ATOM 0 HG12 VAL A 61 -2.630 3.264 12.354 1.00 62.11 H new ATOM 0 HG13 VAL A 61 -3.008 4.936 11.875 1.00 62.11 H new ATOM 0 HG21 VAL A 61 -5.961 4.367 11.194 1.00 63.33 H new ATOM 0 HG22 VAL A 61 -4.891 5.313 10.133 1.00 63.33 H new ATOM 0 HG23 VAL A 61 -5.741 3.886 9.495 1.00 63.33 H new ATOM 1167 N PHE A 62 -3.009 5.028 7.874 1.00 52.13 N ATOM 1168 CA PHE A 62 -2.699 6.325 7.274 1.00 12.54 C ATOM 1169 C PHE A 62 -3.973 7.078 6.872 1.00 3.10 C ATOM 1170 O PHE A 62 -5.089 6.588 7.064 1.00 42.14 O ATOM 1171 CB PHE A 62 -1.785 6.123 6.050 1.00 24.43 C ATOM 1172 CG PHE A 62 -2.485 6.283 4.725 1.00 24.13 C ATOM 1173 CD1 PHE A 62 -3.596 5.513 4.411 1.00 73.34 C ATOM 1174 CD2 PHE A 62 -2.041 7.215 3.802 1.00 32.33 C ATOM 1175 CE1 PHE A 62 -4.247 5.672 3.203 1.00 40.54 C ATOM 1176 CE2 PHE A 62 -2.688 7.374 2.593 1.00 5.22 C ATOM 1177 CZ PHE A 62 -3.792 6.603 2.293 1.00 2.24 C ATOM 0 H PHE A 62 -3.494 4.383 7.251 1.00 52.13 H new ATOM 0 HA PHE A 62 -2.182 6.931 8.017 1.00 12.54 H new ATOM 0 HB2 PHE A 62 -0.963 6.837 6.103 1.00 24.43 H new ATOM 0 HB3 PHE A 62 -1.346 5.127 6.099 1.00 24.43 H new ATOM 0 HD1 PHE A 62 -3.956 4.781 5.119 1.00 73.34 H new ATOM 0 HD2 PHE A 62 -1.179 7.824 4.031 1.00 32.33 H new ATOM 0 HE1 PHE A 62 -5.112 5.068 2.971 1.00 40.54 H new ATOM 0 HE2 PHE A 62 -2.330 8.103 1.881 1.00 5.22 H new ATOM 0 HZ PHE A 62 -4.299 6.728 1.348 1.00 2.24 H new ATOM 1187 N GLU A 63 -3.784 8.265 6.294 1.00 63.42 N ATOM 1188 CA GLU A 63 -4.892 9.093 5.834 1.00 3.42 C ATOM 1189 C GLU A 63 -4.509 9.817 4.547 1.00 41.15 C ATOM 1190 O GLU A 63 -3.431 10.409 4.463 1.00 14.31 O ATOM 1191 CB GLU A 63 -5.284 10.106 6.906 1.00 15.30 C ATOM 1192 CG GLU A 63 -6.451 9.656 7.769 1.00 5.21 C ATOM 1193 CD GLU A 63 -6.413 10.241 9.170 1.00 21.41 C ATOM 1194 OE1 GLU A 63 -6.088 11.439 9.312 1.00 23.24 O ATOM 1195 OE2 GLU A 63 -6.717 9.500 10.128 1.00 73.55 O ATOM 0 H GLU A 63 -2.864 8.675 6.134 1.00 63.42 H new ATOM 0 HA GLU A 63 -5.747 8.446 5.636 1.00 3.42 H new ATOM 0 HB2 GLU A 63 -4.422 10.298 7.546 1.00 15.30 H new ATOM 0 HB3 GLU A 63 -5.541 11.050 6.426 1.00 15.30 H new ATOM 0 HG2 GLU A 63 -7.385 9.944 7.286 1.00 5.21 H new ATOM 0 HG3 GLU A 63 -6.448 8.568 7.835 1.00 5.21 H new ATOM 1202 N LEU A 64 -5.389 9.764 3.547 1.00 41.24 N ATOM 1203 CA LEU A 64 -5.126 10.416 2.264 1.00 25.31 C ATOM 1204 C LEU A 64 -4.916 11.917 2.442 1.00 64.21 C ATOM 1205 O LEU A 64 -5.859 12.657 2.725 1.00 75.33 O ATOM 1206 CB LEU A 64 -6.274 10.171 1.274 1.00 72.43 C ATOM 1207 CG LEU A 64 -6.274 8.811 0.567 1.00 43.35 C ATOM 1208 CD1 LEU A 64 -7.429 8.729 -0.419 1.00 25.50 C ATOM 1209 CD2 LEU A 64 -4.950 8.574 -0.147 1.00 34.21 C ATOM 0 H LEU A 64 -6.285 9.279 3.600 1.00 41.24 H new ATOM 0 HA LEU A 64 -4.213 9.978 1.861 1.00 25.31 H new ATOM 0 HB2 LEU A 64 -7.218 10.280 1.809 1.00 72.43 H new ATOM 0 HB3 LEU A 64 -6.246 10.953 0.515 1.00 72.43 H new ATOM 0 HG LEU A 64 -6.400 8.033 1.320 1.00 43.35 H new ATOM 0 HD11 LEU A 64 -7.417 7.758 -0.914 1.00 25.50 H new ATOM 0 HD12 LEU A 64 -8.372 8.853 0.114 1.00 25.50 H new ATOM 0 HD13 LEU A 64 -7.327 9.517 -1.165 1.00 25.50 H new ATOM 0 HD21 LEU A 64 -4.972 7.603 -0.642 1.00 34.21 H new ATOM 0 HD22 LEU A 64 -4.792 9.356 -0.890 1.00 34.21 H new ATOM 0 HD23 LEU A 64 -4.137 8.593 0.579 1.00 34.21 H new ATOM 1221 N GLY A 65 -3.670 12.354 2.271 1.00 13.13 N ATOM 1222 CA GLY A 65 -3.340 13.768 2.405 1.00 61.23 C ATOM 1223 C GLY A 65 -2.729 14.127 3.752 1.00 33.40 C ATOM 1224 O GLY A 65 -2.111 15.185 3.890 1.00 31.14 O ATOM 0 H GLY A 65 -2.879 11.753 2.041 1.00 13.13 H new ATOM 0 HA2 GLY A 65 -2.644 14.046 1.614 1.00 61.23 H new ATOM 0 HA3 GLY A 65 -4.244 14.359 2.257 1.00 61.23 H new ATOM 1228 N VAL A 66 -2.899 13.256 4.746 1.00 54.12 N ATOM 1229 CA VAL A 66 -2.361 13.498 6.084 1.00 53.02 C ATOM 1230 C VAL A 66 -0.993 12.834 6.238 1.00 43.05 C ATOM 1231 O VAL A 66 -0.877 11.612 6.143 1.00 34.55 O ATOM 1232 CB VAL A 66 -3.317 12.970 7.178 1.00 4.02 C ATOM 1233 CG1 VAL A 66 -3.068 13.677 8.503 1.00 63.24 C ATOM 1234 CG2 VAL A 66 -4.769 13.136 6.748 1.00 60.25 C ATOM 0 H VAL A 66 -3.405 12.376 4.650 1.00 54.12 H new ATOM 0 HA VAL A 66 -2.256 14.576 6.206 1.00 53.02 H new ATOM 0 HB VAL A 66 -3.118 11.907 7.317 1.00 4.02 H new ATOM 0 HG11 VAL A 66 -3.753 13.289 9.257 1.00 63.24 H new ATOM 0 HG12 VAL A 66 -2.040 13.502 8.821 1.00 63.24 H new ATOM 0 HG13 VAL A 66 -3.233 14.748 8.381 1.00 63.24 H new ATOM 0 HG21 VAL A 66 -5.426 12.758 7.532 1.00 60.25 H new ATOM 0 HG22 VAL A 66 -4.979 14.192 6.576 1.00 60.25 H new ATOM 0 HG23 VAL A 66 -4.942 12.577 5.829 1.00 60.25 H new ATOM 1244 N THR A 67 0.041 13.646 6.463 1.00 22.33 N ATOM 1245 CA THR A 67 1.401 13.128 6.612 1.00 62.25 C ATOM 1246 C THR A 67 1.689 12.688 8.043 1.00 44.54 C ATOM 1247 O THR A 67 1.235 13.314 9.004 1.00 11.02 O ATOM 1248 CB THR A 67 2.436 14.174 6.176 1.00 75.24 C ATOM 1249 OG1 THR A 67 2.071 14.766 4.942 1.00 3.31 O ATOM 1250 CG2 THR A 67 3.833 13.603 6.014 1.00 44.42 C ATOM 0 H THR A 67 -0.037 14.660 6.546 1.00 22.33 H new ATOM 0 HA THR A 67 1.479 12.254 5.965 1.00 62.25 H new ATOM 0 HB THR A 67 2.449 14.913 6.977 1.00 75.24 H new ATOM 0 HG1 THR A 67 2.745 15.430 4.686 1.00 3.31 H new ATOM 0 HG21 THR A 67 4.516 14.394 5.705 1.00 44.42 H new ATOM 0 HG22 THR A 67 4.168 13.186 6.964 1.00 44.42 H new ATOM 0 HG23 THR A 67 3.820 12.819 5.257 1.00 44.42 H new ATOM 1258 N PHE A 68 2.465 11.610 8.168 1.00 31.50 N ATOM 1259 CA PHE A 68 2.847 11.080 9.472 1.00 0.00 C ATOM 1260 C PHE A 68 4.305 10.621 9.450 1.00 75.51 C ATOM 1261 O PHE A 68 4.889 10.434 8.380 1.00 12.33 O ATOM 1262 CB PHE A 68 1.918 9.927 9.887 1.00 52.04 C ATOM 1263 CG PHE A 68 2.197 8.620 9.193 1.00 41.54 C ATOM 1264 CD1 PHE A 68 3.172 7.759 9.673 1.00 12.23 C ATOM 1265 CD2 PHE A 68 1.480 8.250 8.067 1.00 20.41 C ATOM 1266 CE1 PHE A 68 3.426 6.556 9.043 1.00 43.01 C ATOM 1267 CE2 PHE A 68 1.730 7.048 7.432 1.00 5.12 C ATOM 1268 CZ PHE A 68 2.704 6.200 7.921 1.00 44.54 C ATOM 0 H PHE A 68 2.841 11.087 7.377 1.00 31.50 H new ATOM 0 HA PHE A 68 2.745 11.875 10.211 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.003 9.778 10.963 1.00 52.04 H new ATOM 0 HB3 PHE A 68 0.887 10.218 9.686 1.00 52.04 H new ATOM 0 HD1 PHE A 68 3.740 8.032 10.550 1.00 12.23 H new ATOM 0 HD2 PHE A 68 0.716 8.909 7.681 1.00 20.41 H new ATOM 0 HE1 PHE A 68 4.188 5.895 9.428 1.00 43.01 H new ATOM 0 HE2 PHE A 68 1.164 6.772 6.554 1.00 5.12 H new ATOM 0 HZ PHE A 68 2.901 5.260 7.427 1.00 44.54 H new ATOM 1278 N ASN A 69 4.887 10.450 10.632 1.00 43.12 N ATOM 1279 CA ASN A 69 6.276 10.022 10.744 1.00 25.13 C ATOM 1280 C ASN A 69 6.377 8.503 10.853 1.00 33.41 C ATOM 1281 O ASN A 69 5.814 7.899 11.767 1.00 42.23 O ATOM 1282 CB ASN A 69 6.939 10.676 11.960 1.00 45.42 C ATOM 1283 CG ASN A 69 8.346 10.162 12.202 1.00 0.14 C ATOM 1284 OD1 ASN A 69 9.324 10.808 11.833 1.00 45.12 O ATOM 1285 ND2 ASN A 69 8.455 8.993 12.822 1.00 22.53 N ATOM 0 H ASN A 69 4.419 10.601 11.525 1.00 43.12 H new ATOM 0 HA ASN A 69 6.796 10.337 9.840 1.00 25.13 H new ATOM 0 HB2 ASN A 69 6.970 11.756 11.816 1.00 45.42 H new ATOM 0 HB3 ASN A 69 6.331 10.490 12.845 1.00 45.42 H new ATOM 0 HD21 ASN A 69 9.377 8.599 13.009 1.00 22.53 H new ATOM 0 HD22 ASN A 69 7.617 8.489 13.112 1.00 22.53 H new ATOM 1292 N TYR A 70 7.119 7.896 9.929 1.00 24.33 N ATOM 1293 CA TYR A 70 7.318 6.450 9.936 1.00 33.55 C ATOM 1294 C TYR A 70 8.719 6.121 10.447 1.00 23.32 C ATOM 1295 O TYR A 70 9.654 6.905 10.255 1.00 71.21 O ATOM 1296 CB TYR A 70 7.110 5.866 8.534 1.00 55.41 C ATOM 1297 CG TYR A 70 7.107 4.352 8.499 1.00 73.43 C ATOM 1298 CD1 TYR A 70 6.002 3.631 8.935 1.00 51.04 C ATOM 1299 CD2 TYR A 70 8.208 3.646 8.030 1.00 40.22 C ATOM 1300 CE1 TYR A 70 5.994 2.250 8.906 1.00 13.53 C ATOM 1301 CE2 TYR A 70 8.207 2.264 7.997 1.00 25.40 C ATOM 1302 CZ TYR A 70 7.097 1.571 8.436 1.00 2.22 C ATOM 1303 OH TYR A 70 7.090 0.194 8.404 1.00 53.12 O ATOM 0 H TYR A 70 7.591 8.383 9.167 1.00 24.33 H new ATOM 0 HA TYR A 70 6.582 6.000 10.603 1.00 33.55 H new ATOM 0 HB2 TYR A 70 6.164 6.232 8.135 1.00 55.41 H new ATOM 0 HB3 TYR A 70 7.897 6.234 7.876 1.00 55.41 H new ATOM 0 HD1 TYR A 70 5.135 4.159 9.303 1.00 51.04 H new ATOM 0 HD2 TYR A 70 9.078 4.185 7.686 1.00 40.22 H new ATOM 0 HE1 TYR A 70 5.127 1.705 9.250 1.00 13.53 H new ATOM 0 HE2 TYR A 70 9.070 1.729 7.630 1.00 25.40 H new ATOM 0 HH TYR A 70 6.594 -0.112 7.616 1.00 53.12 H new ATOM 1313 N ASN A 71 8.864 4.971 11.106 1.00 0.22 N ATOM 1314 CA ASN A 71 10.156 4.566 11.646 1.00 4.24 C ATOM 1315 C ASN A 71 10.575 3.197 11.129 1.00 61.42 C ATOM 1316 O ASN A 71 9.748 2.295 10.987 1.00 34.32 O ATOM 1317 CB ASN A 71 10.117 4.558 13.176 1.00 22.50 C ATOM 1318 CG ASN A 71 11.275 5.324 13.781 1.00 0.31 C ATOM 1319 OD1 ASN A 71 12.050 4.779 14.565 1.00 1.51 O ATOM 1320 ND2 ASN A 71 11.404 6.594 13.416 1.00 31.50 N ATOM 0 H ASN A 71 8.107 4.309 11.276 1.00 0.22 H new ATOM 0 HA ASN A 71 10.895 5.293 11.310 1.00 4.24 H new ATOM 0 HB2 ASN A 71 9.178 4.994 13.516 1.00 22.50 H new ATOM 0 HB3 ASN A 71 10.138 3.528 13.533 1.00 22.50 H new ATOM 0 HD21 ASN A 71 12.169 7.157 13.789 1.00 31.50 H new ATOM 0 HD22 ASN A 71 10.738 7.007 12.763 1.00 31.50 H new ATOM 1327 N LEU A 72 11.869 3.054 10.857 1.00 4.10 N ATOM 1328 CA LEU A 72 12.419 1.798 10.359 1.00 63.14 C ATOM 1329 C LEU A 72 12.831 0.884 11.513 1.00 51.42 C ATOM 1330 O LEU A 72 12.759 1.271 12.682 1.00 45.31 O ATOM 1331 CB LEU A 72 13.619 2.074 9.447 1.00 43.25 C ATOM 1332 CG LEU A 72 13.271 2.708 8.098 1.00 71.12 C ATOM 1333 CD1 LEU A 72 14.451 3.503 7.560 1.00 33.34 C ATOM 1334 CD2 LEU A 72 12.845 1.639 7.102 1.00 72.12 C ATOM 0 H LEU A 72 12.559 3.796 10.974 1.00 4.10 H new ATOM 0 HA LEU A 72 11.644 1.290 9.785 1.00 63.14 H new ATOM 0 HB2 LEU A 72 14.313 2.730 9.972 1.00 43.25 H new ATOM 0 HB3 LEU A 72 14.143 1.135 9.266 1.00 43.25 H new ATOM 0 HG LEU A 72 12.436 3.394 8.244 1.00 71.12 H new ATOM 0 HD11 LEU A 72 14.184 3.946 6.600 1.00 33.34 H new ATOM 0 HD12 LEU A 72 14.709 4.293 8.265 1.00 33.34 H new ATOM 0 HD13 LEU A 72 15.306 2.840 7.428 1.00 33.34 H new ATOM 0 HD21 LEU A 72 12.601 2.107 6.148 1.00 72.12 H new ATOM 0 HD22 LEU A 72 13.660 0.929 6.960 1.00 72.12 H new ATOM 0 HD23 LEU A 72 11.969 1.115 7.483 1.00 72.12 H new ATOM 1346 N ALA A 73 13.259 -0.332 11.174 1.00 21.44 N ATOM 1347 CA ALA A 73 13.680 -1.312 12.175 1.00 34.41 C ATOM 1348 C ALA A 73 14.989 -0.911 12.871 1.00 52.04 C ATOM 1349 O ALA A 73 15.285 -1.402 13.961 1.00 12.52 O ATOM 1350 CB ALA A 73 13.824 -2.688 11.532 1.00 51.52 C ATOM 0 H ALA A 73 13.323 -0.663 10.211 1.00 21.44 H new ATOM 0 HA ALA A 73 12.906 -1.346 12.942 1.00 34.41 H new ATOM 0 HB1 ALA A 73 14.138 -3.411 12.285 1.00 51.52 H new ATOM 0 HB2 ALA A 73 12.866 -2.995 11.111 1.00 51.52 H new ATOM 0 HB3 ALA A 73 14.571 -2.643 10.739 1.00 51.52 H new ATOM 1356 N ASP A 74 15.774 -0.030 12.240 1.00 74.13 N ATOM 1357 CA ASP A 74 17.051 0.409 12.812 1.00 25.12 C ATOM 1358 C ASP A 74 16.903 1.660 13.685 1.00 64.22 C ATOM 1359 O ASP A 74 17.721 1.890 14.578 1.00 4.40 O ATOM 1360 CB ASP A 74 18.067 0.675 11.699 1.00 60.12 C ATOM 1361 CG ASP A 74 18.312 -0.546 10.833 1.00 61.21 C ATOM 1362 OD1 ASP A 74 18.887 -1.532 11.343 1.00 5.34 O ATOM 1363 OD2 ASP A 74 17.926 -0.517 9.647 1.00 1.00 O ATOM 0 H ASP A 74 15.549 0.391 11.338 1.00 74.13 H new ATOM 0 HA ASP A 74 17.406 -0.399 13.452 1.00 25.12 H new ATOM 0 HB2 ASP A 74 17.711 1.494 11.074 1.00 60.12 H new ATOM 0 HB3 ASP A 74 19.009 0.998 12.141 1.00 60.12 H new ATOM 1368 N GLY A 75 15.866 2.464 13.432 1.00 41.01 N ATOM 1369 CA GLY A 75 15.654 3.672 14.221 1.00 0.13 C ATOM 1370 C GLY A 75 15.701 4.957 13.401 1.00 72.32 C ATOM 1371 O GLY A 75 15.984 6.025 13.944 1.00 65.34 O ATOM 0 H GLY A 75 15.174 2.302 12.700 1.00 41.01 H new ATOM 0 HA2 GLY A 75 14.687 3.605 14.719 1.00 0.13 H new ATOM 0 HA3 GLY A 75 16.412 3.722 15.002 1.00 0.13 H new ATOM 1375 N THR A 76 15.420 4.862 12.098 1.00 71.52 N ATOM 1376 CA THR A 76 15.427 6.035 11.224 1.00 14.02 C ATOM 1377 C THR A 76 13.999 6.528 10.996 1.00 24.24 C ATOM 1378 O THR A 76 13.092 5.729 10.757 1.00 72.14 O ATOM 1379 CB THR A 76 16.094 5.704 9.881 1.00 43.14 C ATOM 1380 OG1 THR A 76 17.429 5.266 10.076 1.00 2.34 O ATOM 1381 CG2 THR A 76 16.133 6.877 8.920 1.00 5.13 C ATOM 0 H THR A 76 15.186 3.988 11.628 1.00 71.52 H new ATOM 0 HA THR A 76 16.001 6.825 11.709 1.00 14.02 H new ATOM 0 HB THR A 76 15.479 4.918 9.443 1.00 43.14 H new ATOM 0 HG1 THR A 76 17.835 5.059 9.209 1.00 2.34 H new ATOM 0 HG21 THR A 76 16.618 6.572 7.993 1.00 5.13 H new ATOM 0 HG22 THR A 76 15.116 7.207 8.707 1.00 5.13 H new ATOM 0 HG23 THR A 76 16.693 7.697 9.369 1.00 5.13 H new ATOM 1389 N GLU A 77 13.802 7.844 11.078 1.00 21.10 N ATOM 1390 CA GLU A 77 12.473 8.428 10.887 1.00 65.25 C ATOM 1391 C GLU A 77 12.356 9.144 9.547 1.00 53.33 C ATOM 1392 O GLU A 77 13.158 10.022 9.226 1.00 12.43 O ATOM 1393 CB GLU A 77 12.117 9.403 12.021 1.00 4.23 C ATOM 1394 CG GLU A 77 13.312 10.096 12.665 1.00 42.22 C ATOM 1395 CD GLU A 77 13.834 9.345 13.874 1.00 55.32 C ATOM 1396 OE1 GLU A 77 13.035 9.077 14.797 1.00 73.52 O ATOM 1397 OE2 GLU A 77 15.039 9.019 13.897 1.00 41.12 O ATOM 0 H GLU A 77 14.539 8.522 11.274 1.00 21.10 H new ATOM 0 HA GLU A 77 11.767 7.597 10.900 1.00 65.25 H new ATOM 0 HB2 GLU A 77 11.441 10.163 11.629 1.00 4.23 H new ATOM 0 HB3 GLU A 77 11.571 8.859 12.792 1.00 4.23 H new ATOM 0 HG2 GLU A 77 14.111 10.195 11.930 1.00 42.22 H new ATOM 0 HG3 GLU A 77 13.026 11.105 12.963 1.00 42.22 H new ATOM 1404 N LEU A 78 11.329 8.774 8.781 1.00 44.02 N ATOM 1405 CA LEU A 78 11.068 9.389 7.484 1.00 74.41 C ATOM 1406 C LEU A 78 9.706 10.072 7.509 1.00 65.44 C ATOM 1407 O LEU A 78 8.785 9.613 8.190 1.00 53.24 O ATOM 1408 CB LEU A 78 11.089 8.363 6.335 1.00 53.34 C ATOM 1409 CG LEU A 78 12.065 7.186 6.459 1.00 24.10 C ATOM 1410 CD1 LEU A 78 13.353 7.593 7.157 1.00 43.13 C ATOM 1411 CD2 LEU A 78 11.393 6.029 7.177 1.00 53.31 C ATOM 0 H LEU A 78 10.662 8.047 9.041 1.00 44.02 H new ATOM 0 HA LEU A 78 11.862 10.113 7.303 1.00 74.41 H new ATOM 0 HB2 LEU A 78 10.083 7.957 6.227 1.00 53.34 H new ATOM 0 HB3 LEU A 78 11.318 8.895 5.412 1.00 53.34 H new ATOM 0 HG LEU A 78 12.338 6.864 5.454 1.00 24.10 H new ATOM 0 HD11 LEU A 78 14.018 6.732 7.225 1.00 43.13 H new ATOM 0 HD12 LEU A 78 13.841 8.384 6.588 1.00 43.13 H new ATOM 0 HD13 LEU A 78 13.125 7.955 8.159 1.00 43.13 H new ATOM 0 HD21 LEU A 78 12.093 5.197 7.261 1.00 53.31 H new ATOM 0 HD22 LEU A 78 11.087 6.348 8.173 1.00 53.31 H new ATOM 0 HD23 LEU A 78 10.517 5.710 6.613 1.00 53.31 H new ATOM 1423 N ARG A 79 9.577 11.151 6.749 1.00 45.21 N ATOM 1424 CA ARG A 79 8.325 11.883 6.663 1.00 51.34 C ATOM 1425 C ARG A 79 7.674 11.602 5.318 1.00 35.54 C ATOM 1426 O ARG A 79 8.208 11.983 4.272 1.00 14.43 O ATOM 1427 CB ARG A 79 8.566 13.383 6.839 1.00 45.42 C ATOM 1428 CG ARG A 79 7.310 14.161 7.198 1.00 13.20 C ATOM 1429 CD ARG A 79 6.877 15.079 6.065 1.00 13.10 C ATOM 1430 NE ARG A 79 7.080 16.487 6.399 1.00 40.04 N ATOM 1431 CZ ARG A 79 8.169 17.191 6.075 1.00 14.34 C ATOM 1432 NH1 ARG A 79 9.162 16.634 5.384 1.00 31.25 N ATOM 1433 NH2 ARG A 79 8.264 18.461 6.449 1.00 63.35 N ATOM 0 H ARG A 79 10.330 11.539 6.181 1.00 45.21 H new ATOM 0 HA ARG A 79 7.660 11.554 7.462 1.00 51.34 H new ATOM 0 HB2 ARG A 79 9.313 13.534 7.619 1.00 45.42 H new ATOM 0 HB3 ARG A 79 8.983 13.787 5.916 1.00 45.42 H new ATOM 0 HG2 ARG A 79 6.504 13.465 7.431 1.00 13.20 H new ATOM 0 HG3 ARG A 79 7.491 14.751 8.096 1.00 13.20 H new ATOM 0 HD2 ARG A 79 7.440 14.835 5.164 1.00 13.10 H new ATOM 0 HD3 ARG A 79 5.824 14.907 5.840 1.00 13.10 H new ATOM 0 HE ARG A 79 6.341 16.965 6.914 1.00 40.04 H new ATOM 0 HH11 ARG A 79 9.097 15.658 5.095 1.00 31.25 H new ATOM 0 HH12 ARG A 79 9.987 17.183 5.144 1.00 31.25 H new ATOM 0 HH21 ARG A 79 7.509 18.894 6.980 1.00 63.35 H new ATOM 0 HH22 ARG A 79 9.092 19.004 6.205 1.00 63.35 H new ATOM 1447 N GLY A 80 6.539 10.910 5.341 1.00 20.12 N ATOM 1448 CA GLY A 80 5.868 10.576 4.103 1.00 5.12 C ATOM 1449 C GLY A 80 4.479 9.992 4.304 1.00 23.10 C ATOM 1450 O GLY A 80 4.030 9.800 5.440 1.00 3.42 O ATOM 0 H GLY A 80 6.077 10.578 6.188 1.00 20.12 H new ATOM 0 HA2 GLY A 80 5.791 11.472 3.488 1.00 5.12 H new ATOM 0 HA3 GLY A 80 6.477 9.861 3.550 1.00 5.12 H new ATOM 1454 N THR A 81 3.808 9.703 3.184 1.00 23.20 N ATOM 1455 CA THR A 81 2.460 9.121 3.193 1.00 3.01 C ATOM 1456 C THR A 81 1.979 8.858 1.763 1.00 23.23 C ATOM 1457 O THR A 81 2.762 8.927 0.812 1.00 65.31 O ATOM 1458 CB THR A 81 1.448 10.032 3.913 1.00 44.13 C ATOM 1459 OG1 THR A 81 2.039 11.255 4.314 1.00 5.01 O ATOM 1460 CG2 THR A 81 0.836 9.386 5.138 1.00 53.55 C ATOM 0 H THR A 81 4.181 9.865 2.249 1.00 23.20 H new ATOM 0 HA THR A 81 2.521 8.179 3.738 1.00 3.01 H new ATOM 0 HB THR A 81 0.662 10.213 3.180 1.00 44.13 H new ATOM 0 HG1 THR A 81 1.570 12.001 3.885 1.00 5.01 H new ATOM 0 HG21 THR A 81 0.132 10.078 5.601 1.00 53.55 H new ATOM 0 HG22 THR A 81 0.312 8.476 4.846 1.00 53.55 H new ATOM 0 HG23 THR A 81 1.623 9.139 5.850 1.00 53.55 H new ATOM 1468 N TRP A 82 0.685 8.564 1.618 1.00 2.44 N ATOM 1469 CA TRP A 82 0.099 8.303 0.309 1.00 71.44 C ATOM 1470 C TRP A 82 -0.994 9.319 -0.011 1.00 1.42 C ATOM 1471 O TRP A 82 -1.581 9.923 0.889 1.00 12.53 O ATOM 1472 CB TRP A 82 -0.473 6.887 0.251 1.00 1.30 C ATOM 1473 CG TRP A 82 0.559 5.841 -0.030 1.00 33.42 C ATOM 1474 CD1 TRP A 82 1.566 5.443 0.799 1.00 4.21 C ATOM 1475 CD2 TRP A 82 0.686 5.060 -1.222 1.00 22.31 C ATOM 1476 NE1 TRP A 82 2.305 4.452 0.200 1.00 0.34 N ATOM 1477 CE2 TRP A 82 1.786 4.202 -1.042 1.00 33.30 C ATOM 1478 CE3 TRP A 82 -0.025 5.000 -2.424 1.00 34.10 C ATOM 1479 CZ2 TRP A 82 2.189 3.297 -2.015 1.00 32.11 C ATOM 1480 CZ3 TRP A 82 0.379 4.101 -3.390 1.00 51.42 C ATOM 1481 CH2 TRP A 82 1.478 3.260 -3.179 1.00 21.24 C ATOM 0 H TRP A 82 0.026 8.502 2.394 1.00 2.44 H new ATOM 0 HA TRP A 82 0.888 8.397 -0.437 1.00 71.44 H new ATOM 0 HB2 TRP A 82 -0.960 6.661 1.199 1.00 1.30 H new ATOM 0 HB3 TRP A 82 -1.242 6.845 -0.520 1.00 1.30 H new ATOM 0 HD1 TRP A 82 1.755 5.848 1.782 1.00 4.21 H new ATOM 0 HE1 TRP A 82 3.109 3.980 0.613 1.00 0.34 H new ATOM 0 HE3 TRP A 82 -0.874 5.645 -2.594 1.00 34.10 H new ATOM 0 HZ2 TRP A 82 3.035 2.645 -1.856 1.00 32.11 H new ATOM 0 HZ3 TRP A 82 -0.161 4.045 -4.324 1.00 51.42 H new ATOM 0 HH2 TRP A 82 1.769 2.567 -3.954 1.00 21.24 H new ATOM 1492 N SER A 83 -1.263 9.495 -1.301 1.00 0.45 N ATOM 1493 CA SER A 83 -2.283 10.428 -1.763 1.00 45.33 C ATOM 1494 C SER A 83 -2.623 10.164 -3.224 1.00 14.00 C ATOM 1495 O SER A 83 -1.730 10.014 -4.057 1.00 21.33 O ATOM 1496 CB SER A 83 -1.814 11.875 -1.585 1.00 45.54 C ATOM 1497 OG SER A 83 -2.677 12.588 -0.715 1.00 64.21 O ATOM 0 H SER A 83 -0.783 8.998 -2.051 1.00 0.45 H new ATOM 0 HA SER A 83 -3.179 10.278 -1.161 1.00 45.33 H new ATOM 0 HB2 SER A 83 -0.800 11.885 -1.185 1.00 45.54 H new ATOM 0 HB3 SER A 83 -1.779 12.371 -2.555 1.00 45.54 H new ATOM 0 HG SER A 83 -2.355 13.508 -0.617 1.00 64.21 H new ATOM 1503 N LEU A 84 -3.915 10.098 -3.530 1.00 31.40 N ATOM 1504 CA LEU A 84 -4.361 9.848 -4.889 1.00 34.22 C ATOM 1505 C LEU A 84 -4.486 11.154 -5.666 1.00 61.13 C ATOM 1506 O LEU A 84 -5.168 12.086 -5.232 1.00 43.23 O ATOM 1507 CB LEU A 84 -5.696 9.105 -4.866 1.00 23.12 C ATOM 1508 CG LEU A 84 -6.471 9.090 -6.183 1.00 1.51 C ATOM 1509 CD1 LEU A 84 -6.008 7.949 -7.078 1.00 32.23 C ATOM 1510 CD2 LEU A 84 -7.953 8.975 -5.894 1.00 4.53 C ATOM 0 H LEU A 84 -4.669 10.215 -2.853 1.00 31.40 H new ATOM 0 HA LEU A 84 -3.620 9.228 -5.393 1.00 34.22 H new ATOM 0 HB2 LEU A 84 -5.512 8.074 -4.563 1.00 23.12 H new ATOM 0 HB3 LEU A 84 -6.327 9.555 -4.100 1.00 23.12 H new ATOM 0 HG LEU A 84 -6.280 10.022 -6.714 1.00 1.51 H new ATOM 0 HD11 LEU A 84 -6.576 7.962 -8.008 1.00 32.23 H new ATOM 0 HD12 LEU A 84 -4.947 8.068 -7.299 1.00 32.23 H new ATOM 0 HD13 LEU A 84 -6.168 6.999 -6.569 1.00 32.23 H new ATOM 0 HD21 LEU A 84 -8.507 8.964 -6.833 1.00 4.53 H new ATOM 0 HD22 LEU A 84 -8.147 8.052 -5.348 1.00 4.53 H new ATOM 0 HD23 LEU A 84 -8.274 9.826 -5.293 1.00 4.53 H new ATOM 1522 N GLU A 85 -3.831 11.204 -6.821 1.00 64.11 N ATOM 1523 CA GLU A 85 -3.866 12.383 -7.683 1.00 75.32 C ATOM 1524 C GLU A 85 -4.210 11.980 -9.110 1.00 62.42 C ATOM 1525 O GLU A 85 -3.784 10.925 -9.586 1.00 4.22 O ATOM 1526 CB GLU A 85 -2.528 13.124 -7.656 1.00 42.01 C ATOM 1527 CG GLU A 85 -2.383 14.073 -6.476 1.00 31.23 C ATOM 1528 CD GLU A 85 -1.348 15.156 -6.716 1.00 52.24 C ATOM 1529 OE1 GLU A 85 -0.155 14.911 -6.436 1.00 22.42 O ATOM 1530 OE2 GLU A 85 -1.730 16.249 -7.186 1.00 72.51 O ATOM 0 H GLU A 85 -3.266 10.437 -7.185 1.00 64.11 H new ATOM 0 HA GLU A 85 -4.636 13.056 -7.305 1.00 75.32 H new ATOM 0 HB2 GLU A 85 -1.718 12.395 -7.627 1.00 42.01 H new ATOM 0 HB3 GLU A 85 -2.416 13.688 -8.582 1.00 42.01 H new ATOM 0 HG2 GLU A 85 -3.347 14.538 -6.269 1.00 31.23 H new ATOM 0 HG3 GLU A 85 -2.107 13.503 -5.589 1.00 31.23 H new ATOM 1537 N GLY A 86 -4.995 12.817 -9.780 1.00 12.52 N ATOM 1538 CA GLY A 86 -5.403 12.527 -11.136 1.00 64.22 C ATOM 1539 C GLY A 86 -6.199 11.251 -11.213 1.00 60.35 C ATOM 1540 O GLY A 86 -7.354 11.193 -10.788 1.00 22.34 O ATOM 0 H GLY A 86 -5.356 13.694 -9.403 1.00 12.52 H new ATOM 0 HA2 GLY A 86 -6.000 13.353 -11.522 1.00 64.22 H new ATOM 0 HA3 GLY A 86 -4.522 12.446 -11.773 1.00 64.22 H new ATOM 1544 N ASN A 87 -5.561 10.233 -11.746 1.00 1.24 N ATOM 1545 CA ASN A 87 -6.170 8.912 -11.891 1.00 21.44 C ATOM 1546 C ASN A 87 -5.284 7.810 -11.295 1.00 4.41 C ATOM 1547 O ASN A 87 -5.432 6.636 -11.639 1.00 23.54 O ATOM 1548 CB ASN A 87 -6.425 8.606 -13.366 1.00 60.33 C ATOM 1549 CG ASN A 87 -5.285 9.047 -14.269 1.00 23.22 C ATOM 1550 OD1 ASN A 87 -5.341 10.110 -14.887 1.00 61.22 O ATOM 1551 ND2 ASN A 87 -4.239 8.229 -14.346 1.00 63.23 N ATOM 0 H ASN A 87 -4.604 10.289 -12.094 1.00 1.24 H new ATOM 0 HA ASN A 87 -7.114 8.929 -11.346 1.00 21.44 H new ATOM 0 HB2 ASN A 87 -6.584 7.534 -13.487 1.00 60.33 H new ATOM 0 HB3 ASN A 87 -7.343 9.102 -13.681 1.00 60.33 H new ATOM 0 HD21 ASN A 87 -3.442 8.474 -14.934 1.00 63.23 H new ATOM 0 HD22 ASN A 87 -4.233 7.357 -13.817 1.00 63.23 H new ATOM 1558 N LYS A 88 -4.351 8.188 -10.424 1.00 64.32 N ATOM 1559 CA LYS A 88 -3.429 7.216 -9.815 1.00 52.43 C ATOM 1560 C LYS A 88 -3.153 7.512 -8.339 1.00 52.45 C ATOM 1561 O LYS A 88 -3.279 8.653 -7.891 1.00 52.42 O ATOM 1562 CB LYS A 88 -2.104 7.209 -10.584 1.00 32.32 C ATOM 1563 CG LYS A 88 -2.123 6.351 -11.839 1.00 55.01 C ATOM 1564 CD LYS A 88 -1.597 4.951 -11.566 1.00 71.31 C ATOM 1565 CE LYS A 88 -2.727 3.938 -11.488 1.00 53.02 C ATOM 1566 NZ LYS A 88 -3.150 3.474 -12.837 1.00 72.34 N ATOM 0 H LYS A 88 -4.209 9.152 -10.122 1.00 64.32 H new ATOM 0 HA LYS A 88 -3.910 6.240 -9.871 1.00 52.43 H new ATOM 0 HB2 LYS A 88 -1.850 8.233 -10.860 1.00 32.32 H new ATOM 0 HB3 LYS A 88 -1.314 6.851 -9.924 1.00 32.32 H new ATOM 0 HG2 LYS A 88 -3.141 6.290 -12.223 1.00 55.01 H new ATOM 0 HG3 LYS A 88 -1.518 6.823 -12.613 1.00 55.01 H new ATOM 0 HD2 LYS A 88 -0.902 4.662 -12.354 1.00 71.31 H new ATOM 0 HD3 LYS A 88 -1.038 4.947 -10.630 1.00 71.31 H new ATOM 0 HE2 LYS A 88 -2.407 3.082 -10.894 1.00 53.02 H new ATOM 0 HE3 LYS A 88 -3.579 4.383 -10.974 1.00 53.02 H new ATOM 0 HZ1 LYS A 88 -3.758 2.635 -12.741 1.00 72.34 H new ATOM 0 HZ2 LYS A 88 -3.678 4.232 -13.315 1.00 72.34 H new ATOM 0 HZ3 LYS A 88 -2.310 3.230 -13.399 1.00 72.34 H new ATOM 1580 N LEU A 89 -2.753 6.470 -7.590 1.00 61.13 N ATOM 1581 CA LEU A 89 -2.439 6.624 -6.168 1.00 43.02 C ATOM 1582 C LEU A 89 -0.943 6.790 -5.953 1.00 44.33 C ATOM 1583 O LEU A 89 -0.138 5.962 -6.395 1.00 32.12 O ATOM 1584 CB LEU A 89 -2.960 5.451 -5.339 1.00 42.03 C ATOM 1585 CG LEU A 89 -3.928 5.875 -4.240 1.00 14.45 C ATOM 1586 CD1 LEU A 89 -5.105 4.927 -4.147 1.00 0.51 C ATOM 1587 CD2 LEU A 89 -3.224 5.990 -2.898 1.00 0.44 C ATOM 0 H LEU A 89 -2.642 5.521 -7.947 1.00 61.13 H new ATOM 0 HA LEU A 89 -2.946 7.527 -5.828 1.00 43.02 H new ATOM 0 HB2 LEU A 89 -3.458 4.741 -5.999 1.00 42.03 H new ATOM 0 HB3 LEU A 89 -2.115 4.929 -4.889 1.00 42.03 H new ATOM 0 HG LEU A 89 -4.310 6.861 -4.506 1.00 14.45 H new ATOM 0 HD11 LEU A 89 -5.776 5.257 -3.354 1.00 0.51 H new ATOM 0 HD12 LEU A 89 -5.641 4.918 -5.096 1.00 0.51 H new ATOM 0 HD13 LEU A 89 -4.746 3.922 -3.924 1.00 0.51 H new ATOM 0 HD21 LEU A 89 -3.941 6.294 -2.136 1.00 0.44 H new ATOM 0 HD22 LEU A 89 -2.795 5.025 -2.628 1.00 0.44 H new ATOM 0 HD23 LEU A 89 -2.430 6.734 -2.966 1.00 0.44 H new ATOM 1599 N ILE A 90 -0.591 7.886 -5.287 1.00 20.31 N ATOM 1600 CA ILE A 90 0.798 8.234 -5.014 1.00 1.33 C ATOM 1601 C ILE A 90 1.231 7.880 -3.592 1.00 73.44 C ATOM 1602 O ILE A 90 0.474 8.057 -2.639 1.00 20.44 O ATOM 1603 CB ILE A 90 1.015 9.750 -5.217 1.00 4.10 C ATOM 1604 CG1 ILE A 90 0.366 10.227 -6.524 1.00 51.03 C ATOM 1605 CG2 ILE A 90 2.500 10.089 -5.205 1.00 1.00 C ATOM 1606 CD1 ILE A 90 0.569 9.285 -7.695 1.00 22.33 C ATOM 0 H ILE A 90 -1.264 8.559 -4.921 1.00 20.31 H new ATOM 0 HA ILE A 90 1.401 7.652 -5.711 1.00 1.33 H new ATOM 0 HB ILE A 90 0.536 10.271 -4.388 1.00 4.10 H new ATOM 0 HG12 ILE A 90 -0.703 10.359 -6.359 1.00 51.03 H new ATOM 0 HG13 ILE A 90 0.772 11.205 -6.783 1.00 51.03 H new ATOM 0 HG21 ILE A 90 2.630 11.162 -5.350 1.00 1.00 H new ATOM 0 HG22 ILE A 90 2.932 9.797 -4.248 1.00 1.00 H new ATOM 0 HG23 ILE A 90 3.002 9.551 -6.009 1.00 1.00 H new ATOM 0 HD11 ILE A 90 0.081 9.694 -8.580 1.00 22.33 H new ATOM 0 HD12 ILE A 90 1.635 9.171 -7.889 1.00 22.33 H new ATOM 0 HD13 ILE A 90 0.137 8.312 -7.459 1.00 22.33 H new ATOM 1618 N GLY A 91 2.475 7.417 -3.469 1.00 11.44 N ATOM 1619 CA GLY A 91 3.046 7.081 -2.178 1.00 34.30 C ATOM 1620 C GLY A 91 4.473 7.583 -2.096 1.00 1.33 C ATOM 1621 O GLY A 91 5.317 7.165 -2.889 1.00 53.25 O ATOM 0 H GLY A 91 3.105 7.268 -4.257 1.00 11.44 H new ATOM 0 HA2 GLY A 91 2.449 7.524 -1.381 1.00 34.30 H new ATOM 0 HA3 GLY A 91 3.023 6.001 -2.031 1.00 34.30 H new ATOM 1625 N LYS A 92 4.747 8.505 -1.175 1.00 23.42 N ATOM 1626 CA LYS A 92 6.089 9.070 -1.064 1.00 62.21 C ATOM 1627 C LYS A 92 6.605 9.120 0.371 1.00 60.24 C ATOM 1628 O LYS A 92 5.919 9.588 1.282 1.00 45.22 O ATOM 1629 CB LYS A 92 6.111 10.479 -1.663 1.00 51.24 C ATOM 1630 CG LYS A 92 6.880 10.573 -2.970 1.00 23.40 C ATOM 1631 CD LYS A 92 6.730 11.944 -3.607 1.00 20.43 C ATOM 1632 CE LYS A 92 7.014 11.898 -5.099 1.00 73.31 C ATOM 1633 NZ LYS A 92 7.556 13.189 -5.603 1.00 21.42 N ATOM 0 H LYS A 92 4.070 8.871 -0.506 1.00 23.42 H new ATOM 0 HA LYS A 92 6.753 8.407 -1.619 1.00 62.21 H new ATOM 0 HB2 LYS A 92 5.086 10.810 -1.830 1.00 51.24 H new ATOM 0 HB3 LYS A 92 6.554 11.165 -0.941 1.00 51.24 H new ATOM 0 HG2 LYS A 92 7.935 10.369 -2.788 1.00 23.40 H new ATOM 0 HG3 LYS A 92 6.522 9.809 -3.660 1.00 23.40 H new ATOM 0 HD2 LYS A 92 5.719 12.316 -3.439 1.00 20.43 H new ATOM 0 HD3 LYS A 92 7.412 12.646 -3.127 1.00 20.43 H new ATOM 0 HE2 LYS A 92 7.726 11.100 -5.308 1.00 73.31 H new ATOM 0 HE3 LYS A 92 6.097 11.656 -5.635 1.00 73.31 H new ATOM 0 HZ1 LYS A 92 7.482 13.215 -6.640 1.00 21.42 H new ATOM 0 HZ2 LYS A 92 7.011 13.976 -5.197 1.00 21.42 H new ATOM 0 HZ3 LYS A 92 8.554 13.279 -5.324 1.00 21.42 H new ATOM 1647 N PHE A 93 7.849 8.668 0.536 1.00 55.42 N ATOM 1648 CA PHE A 93 8.538 8.677 1.825 1.00 52.52 C ATOM 1649 C PHE A 93 9.987 9.088 1.595 1.00 0.02 C ATOM 1650 O PHE A 93 10.628 8.599 0.661 1.00 21.33 O ATOM 1651 CB PHE A 93 8.480 7.304 2.505 1.00 22.45 C ATOM 1652 CG PHE A 93 7.084 6.832 2.791 1.00 11.02 C ATOM 1653 CD1 PHE A 93 6.446 7.197 3.965 1.00 4.00 C ATOM 1654 CD2 PHE A 93 6.411 6.026 1.888 1.00 61.11 C ATOM 1655 CE1 PHE A 93 5.161 6.767 4.234 1.00 14.40 C ATOM 1656 CE2 PHE A 93 5.127 5.593 2.151 1.00 3.31 C ATOM 1657 CZ PHE A 93 4.501 5.963 3.325 1.00 43.22 C ATOM 0 H PHE A 93 8.409 8.284 -0.225 1.00 55.42 H new ATOM 0 HA PHE A 93 8.042 9.387 2.487 1.00 52.52 H new ATOM 0 HB2 PHE A 93 8.979 6.572 1.870 1.00 22.45 H new ATOM 0 HB3 PHE A 93 9.038 7.347 3.440 1.00 22.45 H new ATOM 0 HD1 PHE A 93 6.959 7.825 4.678 1.00 4.00 H new ATOM 0 HD2 PHE A 93 6.896 5.733 0.968 1.00 61.11 H new ATOM 0 HE1 PHE A 93 4.674 7.059 5.153 1.00 14.40 H new ATOM 0 HE2 PHE A 93 4.612 4.965 1.439 1.00 3.31 H new ATOM 0 HZ PHE A 93 3.497 5.624 3.532 1.00 43.22 H new ATOM 1667 N LYS A 94 10.495 10.008 2.410 1.00 20.41 N ATOM 1668 CA LYS A 94 11.869 10.488 2.230 1.00 73.43 C ATOM 1669 C LYS A 94 12.708 10.376 3.496 1.00 0.35 C ATOM 1670 O LYS A 94 12.259 10.729 4.590 1.00 11.12 O ATOM 1671 CB LYS A 94 11.872 11.947 1.765 1.00 3.53 C ATOM 1672 CG LYS A 94 10.891 12.242 0.639 1.00 3.51 C ATOM 1673 CD LYS A 94 10.441 13.695 0.662 1.00 21.40 C ATOM 1674 CE LYS A 94 8.929 13.815 0.786 1.00 74.22 C ATOM 1675 NZ LYS A 94 8.334 14.573 -0.350 1.00 44.32 N ATOM 0 H LYS A 94 9.990 10.432 3.189 1.00 20.41 H new ATOM 0 HA LYS A 94 12.316 9.845 1.472 1.00 73.43 H new ATOM 0 HB2 LYS A 94 11.637 12.588 2.614 1.00 3.53 H new ATOM 0 HB3 LYS A 94 12.877 12.210 1.435 1.00 3.53 H new ATOM 0 HG2 LYS A 94 11.358 12.019 -0.320 1.00 3.51 H new ATOM 0 HG3 LYS A 94 10.023 11.589 0.730 1.00 3.51 H new ATOM 0 HD2 LYS A 94 10.916 14.210 1.497 1.00 21.40 H new ATOM 0 HD3 LYS A 94 10.772 14.193 -0.250 1.00 21.40 H new ATOM 0 HE2 LYS A 94 8.489 12.819 0.827 1.00 74.22 H new ATOM 0 HE3 LYS A 94 8.681 14.313 1.723 1.00 74.22 H new ATOM 0 HZ1 LYS A 94 7.332 14.314 -0.453 1.00 44.32 H new ATOM 0 HZ2 LYS A 94 8.411 15.593 -0.165 1.00 44.32 H new ATOM 0 HZ3 LYS A 94 8.843 14.341 -1.227 1.00 44.32 H new ATOM 1689 N ARG A 95 13.951 9.914 3.324 1.00 20.31 N ATOM 1690 CA ARG A 95 14.890 9.790 4.437 1.00 34.34 C ATOM 1691 C ARG A 95 15.153 11.163 5.055 1.00 4.43 C ATOM 1692 O ARG A 95 15.184 12.172 4.349 1.00 43.14 O ATOM 1693 CB ARG A 95 16.212 9.190 3.952 1.00 61.13 C ATOM 1694 CG ARG A 95 16.204 7.673 3.860 1.00 63.13 C ATOM 1695 CD ARG A 95 17.025 7.175 2.679 1.00 21.50 C ATOM 1696 NE ARG A 95 17.925 6.082 3.057 1.00 13.12 N ATOM 1697 CZ ARG A 95 19.249 6.083 2.854 1.00 2.33 C ATOM 1698 NH1 ARG A 95 19.852 7.119 2.275 1.00 45.44 N ATOM 1699 NH2 ARG A 95 19.977 5.042 3.241 1.00 1.10 N ATOM 0 H ARG A 95 14.328 9.620 2.423 1.00 20.31 H new ATOM 0 HA ARG A 95 14.452 9.132 5.188 1.00 34.34 H new ATOM 0 HB2 ARG A 95 16.448 9.602 2.971 1.00 61.13 H new ATOM 0 HB3 ARG A 95 17.009 9.499 4.628 1.00 61.13 H new ATOM 0 HG2 ARG A 95 16.601 7.251 4.783 1.00 63.13 H new ATOM 0 HG3 ARG A 95 15.177 7.320 3.764 1.00 63.13 H new ATOM 0 HD2 ARG A 95 16.355 6.836 1.889 1.00 21.50 H new ATOM 0 HD3 ARG A 95 17.608 8.000 2.270 1.00 21.50 H new ATOM 0 HE ARG A 95 17.515 5.263 3.506 1.00 13.12 H new ATOM 0 HH11 ARG A 95 19.305 7.927 1.979 1.00 45.44 H new ATOM 0 HH12 ARG A 95 20.861 7.104 2.127 1.00 45.44 H new ATOM 0 HH21 ARG A 95 19.528 4.245 3.691 1.00 1.10 H new ATOM 0 HH22 ARG A 95 20.985 5.040 3.088 1.00 1.10 H new ATOM 1713 N THR A 96 15.366 11.196 6.367 1.00 12.42 N ATOM 1714 CA THR A 96 15.648 12.451 7.061 1.00 71.44 C ATOM 1715 C THR A 96 17.146 12.758 7.032 1.00 43.04 C ATOM 1716 O THR A 96 17.565 13.880 7.315 1.00 55.51 O ATOM 1717 CB THR A 96 15.131 12.396 8.506 1.00 14.53 C ATOM 1718 OG1 THR A 96 14.750 13.687 8.956 1.00 23.42 O ATOM 1719 CG2 THR A 96 16.135 11.839 9.497 1.00 13.31 C ATOM 0 H THR A 96 15.349 10.373 6.970 1.00 12.42 H new ATOM 0 HA THR A 96 15.126 13.255 6.542 1.00 71.44 H new ATOM 0 HB THR A 96 14.277 11.720 8.471 1.00 14.53 H new ATOM 0 HG1 THR A 96 14.422 13.629 9.878 1.00 23.42 H new ATOM 0 HG21 THR A 96 15.696 11.832 10.495 1.00 13.31 H new ATOM 0 HG22 THR A 96 16.402 10.822 9.211 1.00 13.31 H new ATOM 0 HG23 THR A 96 17.029 12.462 9.498 1.00 13.31 H new ATOM 1727 N ASP A 97 17.941 11.747 6.685 1.00 52.55 N ATOM 1728 CA ASP A 97 19.392 11.888 6.612 1.00 20.54 C ATOM 1729 C ASP A 97 19.792 12.838 5.481 1.00 75.24 C ATOM 1730 O ASP A 97 20.270 13.943 5.737 1.00 61.44 O ATOM 1731 CB ASP A 97 20.069 10.519 6.420 1.00 0.20 C ATOM 1732 CG ASP A 97 19.159 9.466 5.815 1.00 24.51 C ATOM 1733 OD1 ASP A 97 18.303 8.925 6.548 1.00 61.23 O ATOM 1734 OD2 ASP A 97 19.299 9.187 4.607 1.00 60.22 O ATOM 0 H ASP A 97 17.600 10.815 6.449 1.00 52.55 H new ATOM 0 HA ASP A 97 19.732 12.312 7.557 1.00 20.54 H new ATOM 0 HB2 ASP A 97 20.942 10.643 5.780 1.00 0.20 H new ATOM 0 HB3 ASP A 97 20.429 10.163 7.385 1.00 0.20 H new ATOM 1739 N ASN A 98 19.596 12.402 4.234 1.00 54.01 N ATOM 1740 CA ASN A 98 19.943 13.223 3.068 1.00 64.15 C ATOM 1741 C ASN A 98 18.695 13.696 2.317 1.00 33.43 C ATOM 1742 O ASN A 98 18.768 14.656 1.547 1.00 60.31 O ATOM 1743 CB ASN A 98 20.861 12.465 2.096 1.00 55.15 C ATOM 1744 CG ASN A 98 21.443 11.192 2.682 1.00 41.12 C ATOM 1745 OD1 ASN A 98 22.415 11.229 3.434 1.00 42.33 O ATOM 1746 ND2 ASN A 98 20.853 10.055 2.335 1.00 12.13 N ATOM 0 H ASN A 98 19.201 11.490 4.005 1.00 54.01 H new ATOM 0 HA ASN A 98 20.474 14.094 3.452 1.00 64.15 H new ATOM 0 HB2 ASN A 98 20.298 12.217 1.196 1.00 55.15 H new ATOM 0 HB3 ASN A 98 21.676 13.121 1.792 1.00 55.15 H new ATOM 0 HD21 ASN A 98 21.204 9.168 2.695 1.00 12.13 H new ATOM 0 HD22 ASN A 98 20.048 10.069 1.708 1.00 12.13 H new ATOM 1753 N GLY A 99 17.553 13.028 2.533 1.00 14.42 N ATOM 1754 CA GLY A 99 16.331 13.415 1.854 1.00 60.44 C ATOM 1755 C GLY A 99 16.057 12.586 0.613 1.00 33.13 C ATOM 1756 O GLY A 99 15.549 13.111 -0.379 1.00 20.23 O ATOM 0 H GLY A 99 17.460 12.232 3.164 1.00 14.42 H new ATOM 0 HA2 GLY A 99 15.492 13.317 2.543 1.00 60.44 H new ATOM 0 HA3 GLY A 99 16.394 14.467 1.576 1.00 60.44 H new ATOM 1760 N ASN A 100 16.390 11.290 0.655 1.00 74.43 N ATOM 1761 CA ASN A 100 16.167 10.414 -0.495 1.00 44.31 C ATOM 1762 C ASN A 100 14.683 10.302 -0.813 1.00 43.34 C ATOM 1763 O ASN A 100 13.901 9.783 -0.014 1.00 1.23 O ATOM 1764 CB ASN A 100 16.745 9.024 -0.258 1.00 32.25 C ATOM 1765 CG ASN A 100 18.244 9.055 -0.061 1.00 2.45 C ATOM 1766 OD1 ASN A 100 18.727 9.285 1.045 1.00 53.33 O ATOM 1767 ND2 ASN A 100 18.989 8.838 -1.137 1.00 24.11 N ATOM 0 H ASN A 100 16.810 10.832 1.464 1.00 74.43 H new ATOM 0 HA ASN A 100 16.681 10.863 -1.345 1.00 44.31 H new ATOM 0 HB2 ASN A 100 16.274 8.581 0.620 1.00 32.25 H new ATOM 0 HB3 ASN A 100 16.505 8.383 -1.106 1.00 32.25 H new ATOM 0 HD21 ASN A 100 20.006 8.858 -1.066 1.00 24.11 H new ATOM 0 HD22 ASN A 100 18.545 8.651 -2.036 1.00 24.11 H new ATOM 1774 N GLU A 101 14.309 10.800 -1.982 1.00 22.52 N ATOM 1775 CA GLU A 101 12.923 10.778 -2.429 1.00 32.12 C ATOM 1776 C GLU A 101 12.552 9.430 -3.039 1.00 22.24 C ATOM 1777 O GLU A 101 12.981 9.107 -4.149 1.00 42.32 O ATOM 1778 CB GLU A 101 12.683 11.885 -3.462 1.00 2.45 C ATOM 1779 CG GLU A 101 11.945 13.091 -2.908 1.00 1.02 C ATOM 1780 CD GLU A 101 10.520 13.211 -3.429 1.00 13.44 C ATOM 1781 OE1 GLU A 101 10.300 12.988 -4.641 1.00 64.13 O ATOM 1782 OE2 GLU A 101 9.623 13.537 -2.624 1.00 74.23 O ATOM 0 H GLU A 101 14.954 11.229 -2.645 1.00 22.52 H new ATOM 0 HA GLU A 101 12.294 10.945 -1.555 1.00 32.12 H new ATOM 0 HB2 GLU A 101 13.643 12.211 -3.862 1.00 2.45 H new ATOM 0 HB3 GLU A 101 12.114 11.474 -4.296 1.00 2.45 H new ATOM 0 HG2 GLU A 101 11.923 13.028 -1.820 1.00 1.02 H new ATOM 0 HG3 GLU A 101 12.496 13.996 -3.164 1.00 1.02 H new ATOM 1789 N LEU A 102 11.722 8.664 -2.330 1.00 41.21 N ATOM 1790 CA LEU A 102 11.263 7.370 -2.833 1.00 2.00 C ATOM 1791 C LEU A 102 9.840 7.509 -3.327 1.00 35.24 C ATOM 1792 O LEU A 102 9.053 8.275 -2.765 1.00 65.52 O ATOM 1793 CB LEU A 102 11.323 6.286 -1.762 1.00 20.22 C ATOM 1794 CG LEU A 102 10.935 4.882 -2.247 1.00 63.55 C ATOM 1795 CD1 LEU A 102 12.151 4.132 -2.769 1.00 24.43 C ATOM 1796 CD2 LEU A 102 10.255 4.100 -1.136 1.00 61.14 C ATOM 0 H LEU A 102 11.356 8.915 -1.412 1.00 41.21 H new ATOM 0 HA LEU A 102 11.926 7.070 -3.645 1.00 2.00 H new ATOM 0 HB2 LEU A 102 12.335 6.249 -1.358 1.00 20.22 H new ATOM 0 HB3 LEU A 102 10.662 6.568 -0.942 1.00 20.22 H new ATOM 0 HG LEU A 102 10.228 4.991 -3.070 1.00 63.55 H new ATOM 0 HD11 LEU A 102 11.850 3.140 -3.106 1.00 24.43 H new ATOM 0 HD12 LEU A 102 12.587 4.682 -3.603 1.00 24.43 H new ATOM 0 HD13 LEU A 102 12.889 4.035 -1.972 1.00 24.43 H new ATOM 0 HD21 LEU A 102 9.988 3.108 -1.500 1.00 61.14 H new ATOM 0 HD22 LEU A 102 10.935 4.005 -0.289 1.00 61.14 H new ATOM 0 HD23 LEU A 102 9.354 4.625 -0.820 1.00 61.14 H new ATOM 1808 N ASN A 103 9.514 6.790 -4.390 1.00 22.34 N ATOM 1809 CA ASN A 103 8.182 6.876 -4.957 1.00 0.05 C ATOM 1810 C ASN A 103 7.547 5.498 -5.091 1.00 32.40 C ATOM 1811 O ASN A 103 8.175 4.562 -5.583 1.00 33.12 O ATOM 1812 CB ASN A 103 8.221 7.597 -6.315 1.00 52.15 C ATOM 1813 CG ASN A 103 9.590 8.189 -6.627 1.00 74.21 C ATOM 1814 OD1 ASN A 103 10.236 7.804 -7.599 1.00 52.44 O ATOM 1815 ND2 ASN A 103 10.040 9.131 -5.801 1.00 22.52 N ATOM 0 H ASN A 103 10.146 6.149 -4.870 1.00 22.34 H new ATOM 0 HA ASN A 103 7.562 7.458 -4.275 1.00 0.05 H new ATOM 0 HB2 ASN A 103 7.945 6.896 -7.102 1.00 52.15 H new ATOM 0 HB3 ASN A 103 7.476 8.392 -6.321 1.00 52.15 H new ATOM 0 HD21 ASN A 103 10.951 9.560 -5.965 1.00 22.52 H new ATOM 0 HD22 ASN A 103 9.474 9.424 -5.005 1.00 22.52 H new ATOM 1822 N THR A 104 6.301 5.380 -4.633 1.00 21.42 N ATOM 1823 CA THR A 104 5.582 4.111 -4.685 1.00 25.23 C ATOM 1824 C THR A 104 4.135 4.298 -5.144 1.00 51.23 C ATOM 1825 O THR A 104 3.414 5.150 -4.627 1.00 61.42 O ATOM 1826 CB THR A 104 5.628 3.429 -3.310 1.00 42.52 C ATOM 1827 OG1 THR A 104 4.829 2.257 -3.286 1.00 23.22 O ATOM 1828 CG2 THR A 104 5.171 4.315 -2.172 1.00 24.22 C ATOM 0 H THR A 104 5.770 6.148 -4.222 1.00 21.42 H new ATOM 0 HA THR A 104 6.075 3.474 -5.419 1.00 25.23 H new ATOM 0 HB THR A 104 6.681 3.189 -3.161 1.00 42.52 H new ATOM 0 HG1 THR A 104 4.902 1.794 -4.146 1.00 23.22 H new ATOM 0 HG21 THR A 104 5.232 3.763 -1.234 1.00 24.22 H new ATOM 0 HG22 THR A 104 5.811 5.196 -2.117 1.00 24.22 H new ATOM 0 HG23 THR A 104 4.140 4.625 -2.344 1.00 24.22 H new ATOM 1836 N VAL A 105 3.725 3.488 -6.120 1.00 20.15 N ATOM 1837 CA VAL A 105 2.359 3.547 -6.662 1.00 20.20 C ATOM 1838 C VAL A 105 1.583 2.269 -6.325 1.00 42.35 C ATOM 1839 O VAL A 105 2.178 1.192 -6.226 1.00 42.25 O ATOM 1840 CB VAL A 105 2.367 3.745 -8.195 1.00 0.21 C ATOM 1841 CG1 VAL A 105 1.014 4.240 -8.684 1.00 73.52 C ATOM 1842 CG2 VAL A 105 3.470 4.711 -8.609 1.00 34.11 C ATOM 0 H VAL A 105 4.317 2.781 -6.555 1.00 20.15 H new ATOM 0 HA VAL A 105 1.868 4.403 -6.199 1.00 20.20 H new ATOM 0 HB VAL A 105 2.565 2.779 -8.658 1.00 0.21 H new ATOM 0 HG11 VAL A 105 1.044 4.372 -9.766 1.00 73.52 H new ATOM 0 HG12 VAL A 105 0.246 3.510 -8.429 1.00 73.52 H new ATOM 0 HG13 VAL A 105 0.782 5.193 -8.209 1.00 73.52 H new ATOM 0 HG21 VAL A 105 3.457 4.835 -9.692 1.00 34.11 H new ATOM 0 HG22 VAL A 105 3.306 5.677 -8.131 1.00 34.11 H new ATOM 0 HG23 VAL A 105 4.437 4.313 -8.301 1.00 34.11 H new ATOM 1852 N ARG A 106 0.258 2.382 -6.133 1.00 13.20 N ATOM 1853 CA ARG A 106 -0.556 1.204 -5.792 1.00 34.51 C ATOM 1854 C ARG A 106 -1.579 0.868 -6.879 1.00 60.22 C ATOM 1855 O ARG A 106 -2.286 1.753 -7.368 1.00 12.12 O ATOM 1856 CB ARG A 106 -1.284 1.423 -4.465 1.00 32.31 C ATOM 1857 CG ARG A 106 -0.662 0.670 -3.304 1.00 51.51 C ATOM 1858 CD ARG A 106 -1.587 0.631 -2.099 1.00 54.04 C ATOM 1859 NE ARG A 106 -1.263 1.673 -1.122 1.00 40.21 N ATOM 1860 CZ ARG A 106 -2.018 2.751 -0.887 1.00 73.12 C ATOM 1861 NH1 ARG A 106 -3.118 2.981 -1.599 1.00 4.01 N ATOM 1862 NH2 ARG A 106 -1.662 3.613 0.061 1.00 12.20 N ATOM 0 H ARG A 106 -0.263 3.256 -6.206 1.00 13.20 H new ATOM 0 HA ARG A 106 0.132 0.363 -5.706 1.00 34.51 H new ATOM 0 HB2 ARG A 106 -1.291 2.488 -4.235 1.00 32.31 H new ATOM 0 HB3 ARG A 106 -2.323 1.113 -4.574 1.00 32.31 H new ATOM 0 HG2 ARG A 106 -0.426 -0.348 -3.615 1.00 51.51 H new ATOM 0 HG3 ARG A 106 0.279 1.144 -3.025 1.00 51.51 H new ATOM 0 HD2 ARG A 106 -2.618 0.753 -2.430 1.00 54.04 H new ATOM 0 HD3 ARG A 106 -1.519 -0.347 -1.622 1.00 54.04 H new ATOM 0 HE ARG A 106 -0.403 1.569 -0.584 1.00 40.21 H new ATOM 0 HH11 ARG A 106 -3.395 2.331 -2.335 1.00 4.01 H new ATOM 0 HH12 ARG A 106 -3.685 3.807 -1.409 1.00 4.01 H new ATOM 0 HH21 ARG A 106 -0.815 3.451 0.606 1.00 12.20 H new ATOM 0 HH22 ARG A 106 -2.236 4.437 0.243 1.00 12.20 H new ATOM 1876 N GLU A 107 -1.662 -0.420 -7.248 1.00 44.54 N ATOM 1877 CA GLU A 107 -2.615 -0.858 -8.270 1.00 24.13 C ATOM 1878 C GLU A 107 -2.892 -2.362 -8.168 1.00 22.43 C ATOM 1879 O GLU A 107 -2.215 -3.078 -7.431 1.00 22.14 O ATOM 1880 CB GLU A 107 -2.067 -0.521 -9.661 1.00 31.42 C ATOM 1881 CG GLU A 107 -3.105 -0.601 -10.771 1.00 32.33 C ATOM 1882 CD GLU A 107 -2.921 0.459 -11.841 1.00 55.31 C ATOM 1883 OE1 GLU A 107 -1.766 0.870 -12.088 1.00 4.10 O ATOM 1884 OE2 GLU A 107 -3.936 0.879 -12.435 1.00 42.53 O ATOM 0 H GLU A 107 -1.086 -1.166 -6.857 1.00 44.54 H new ATOM 0 HA GLU A 107 -3.556 -0.332 -8.107 1.00 24.13 H new ATOM 0 HB2 GLU A 107 -1.648 0.485 -9.641 1.00 31.42 H new ATOM 0 HB3 GLU A 107 -1.249 -1.203 -9.893 1.00 31.42 H new ATOM 0 HG2 GLU A 107 -3.057 -1.587 -11.234 1.00 32.33 H new ATOM 0 HG3 GLU A 107 -4.100 -0.501 -10.337 1.00 32.33 H new ATOM 1891 N ILE A 108 -3.877 -2.837 -8.932 1.00 13.10 N ATOM 1892 CA ILE A 108 -4.213 -4.255 -8.955 1.00 44.22 C ATOM 1893 C ILE A 108 -4.244 -4.753 -10.399 1.00 5.23 C ATOM 1894 O ILE A 108 -4.875 -4.139 -11.263 1.00 41.25 O ATOM 1895 CB ILE A 108 -5.561 -4.575 -8.265 1.00 35.41 C ATOM 1896 CG1 ILE A 108 -5.678 -6.089 -8.084 1.00 34.13 C ATOM 1897 CG2 ILE A 108 -6.735 -4.030 -9.069 1.00 11.13 C ATOM 1898 CD1 ILE A 108 -6.218 -6.507 -6.740 1.00 52.04 C ATOM 0 H ILE A 108 -4.454 -2.258 -9.542 1.00 13.10 H new ATOM 0 HA ILE A 108 -3.438 -4.771 -8.388 1.00 44.22 H new ATOM 0 HB ILE A 108 -5.588 -4.089 -7.289 1.00 35.41 H new ATOM 0 HG12 ILE A 108 -6.326 -6.489 -8.864 1.00 34.13 H new ATOM 0 HG13 ILE A 108 -4.695 -6.538 -8.225 1.00 34.13 H new ATOM 0 HG21 ILE A 108 -7.668 -4.270 -8.559 1.00 11.13 H new ATOM 0 HG22 ILE A 108 -6.641 -2.948 -9.163 1.00 11.13 H new ATOM 0 HG23 ILE A 108 -6.737 -4.481 -10.061 1.00 11.13 H new ATOM 0 HD11 ILE A 108 -6.270 -7.595 -6.691 1.00 52.04 H new ATOM 0 HD12 ILE A 108 -5.559 -6.140 -5.953 1.00 52.04 H new ATOM 0 HD13 ILE A 108 -7.215 -6.089 -6.603 1.00 52.04 H new ATOM 1910 N ILE A 109 -3.544 -5.854 -10.660 1.00 5.03 N ATOM 1911 CA ILE A 109 -3.480 -6.419 -12.007 1.00 60.42 C ATOM 1912 C ILE A 109 -4.091 -7.814 -12.054 1.00 52.15 C ATOM 1913 O ILE A 109 -3.645 -8.716 -11.343 1.00 62.33 O ATOM 1914 CB ILE A 109 -2.025 -6.479 -12.527 1.00 4.41 C ATOM 1915 CG1 ILE A 109 -1.322 -5.134 -12.315 1.00 44.01 C ATOM 1916 CG2 ILE A 109 -2.002 -6.863 -14.000 1.00 51.21 C ATOM 1917 CD1 ILE A 109 0.188 -5.230 -12.341 1.00 20.33 C ATOM 0 H ILE A 109 -3.014 -6.372 -9.959 1.00 5.03 H new ATOM 0 HA ILE A 109 -4.058 -5.758 -12.652 1.00 60.42 H new ATOM 0 HB ILE A 109 -1.489 -7.241 -11.961 1.00 4.41 H new ATOM 0 HG12 ILE A 109 -1.647 -4.438 -13.088 1.00 44.01 H new ATOM 0 HG13 ILE A 109 -1.635 -4.717 -11.358 1.00 44.01 H new ATOM 0 HG21 ILE A 109 -0.970 -6.901 -14.350 1.00 51.21 H new ATOM 0 HG22 ILE A 109 -2.465 -7.842 -14.128 1.00 51.21 H new ATOM 0 HG23 ILE A 109 -2.554 -6.122 -14.578 1.00 51.21 H new ATOM 0 HD11 ILE A 109 0.618 -4.241 -12.185 1.00 20.33 H new ATOM 0 HD12 ILE A 109 0.524 -5.901 -11.550 1.00 20.33 H new ATOM 0 HD13 ILE A 109 0.511 -5.618 -13.307 1.00 20.33 H new ATOM 1929 N GLY A 110 -5.109 -7.987 -12.901 1.00 40.35 N ATOM 1930 CA GLY A 110 -5.759 -9.282 -13.028 1.00 2.25 C ATOM 1931 C GLY A 110 -6.421 -9.729 -11.748 1.00 53.53 C ATOM 1932 O GLY A 110 -7.486 -9.234 -11.378 1.00 42.33 O ATOM 0 H GLY A 110 -5.492 -7.255 -13.499 1.00 40.35 H new ATOM 0 HA2 GLY A 110 -6.506 -9.233 -13.821 1.00 2.25 H new ATOM 0 HA3 GLY A 110 -5.022 -10.026 -13.330 1.00 2.25 H new ATOM 1936 N ASP A 111 -5.786 -10.675 -11.082 1.00 13.12 N ATOM 1937 CA ASP A 111 -6.301 -11.221 -9.835 1.00 4.21 C ATOM 1938 C ASP A 111 -5.248 -11.165 -8.720 1.00 14.11 C ATOM 1939 O ASP A 111 -5.262 -11.987 -7.802 1.00 4.43 O ATOM 1940 CB ASP A 111 -6.765 -12.660 -10.074 1.00 3.13 C ATOM 1941 CG ASP A 111 -7.822 -13.109 -9.085 1.00 20.42 C ATOM 1942 OD1 ASP A 111 -9.011 -12.792 -9.297 1.00 54.32 O ATOM 1943 OD2 ASP A 111 -7.461 -13.778 -8.096 1.00 22.43 O ATOM 0 H ASP A 111 -4.903 -11.086 -11.386 1.00 13.12 H new ATOM 0 HA ASP A 111 -7.146 -10.615 -9.507 1.00 4.21 H new ATOM 0 HB2 ASP A 111 -7.161 -12.746 -11.086 1.00 3.13 H new ATOM 0 HB3 ASP A 111 -5.907 -13.329 -10.010 1.00 3.13 H new ATOM 1948 N GLU A 112 -4.334 -10.191 -8.806 1.00 11.22 N ATOM 1949 CA GLU A 112 -3.275 -10.037 -7.807 1.00 2.02 C ATOM 1950 C GLU A 112 -3.004 -8.562 -7.507 1.00 34.30 C ATOM 1951 O GLU A 112 -2.950 -7.736 -8.420 1.00 53.14 O ATOM 1952 CB GLU A 112 -1.979 -10.702 -8.288 1.00 62.51 C ATOM 1953 CG GLU A 112 -2.127 -11.519 -9.566 1.00 21.30 C ATOM 1954 CD GLU A 112 -0.895 -12.346 -9.877 1.00 44.23 C ATOM 1955 OE1 GLU A 112 -0.486 -13.150 -9.012 1.00 53.22 O ATOM 1956 OE2 GLU A 112 -0.339 -12.192 -10.986 1.00 34.22 O ATOM 0 H GLU A 112 -4.308 -9.500 -9.556 1.00 11.22 H new ATOM 0 HA GLU A 112 -3.616 -10.523 -6.893 1.00 2.02 H new ATOM 0 HB2 GLU A 112 -1.227 -9.930 -8.450 1.00 62.51 H new ATOM 0 HB3 GLU A 112 -1.603 -11.352 -7.497 1.00 62.51 H new ATOM 0 HG2 GLU A 112 -2.989 -12.180 -9.472 1.00 21.30 H new ATOM 0 HG3 GLU A 112 -2.329 -10.847 -10.400 1.00 21.30 H new ATOM 1963 N LEU A 113 -2.815 -8.241 -6.224 1.00 43.42 N ATOM 1964 CA LEU A 113 -2.531 -6.866 -5.808 1.00 5.40 C ATOM 1965 C LEU A 113 -1.062 -6.542 -6.002 1.00 43.01 C ATOM 1966 O LEU A 113 -0.199 -7.406 -5.830 1.00 2.14 O ATOM 1967 CB LEU A 113 -2.906 -6.660 -4.339 1.00 4.00 C ATOM 1968 CG LEU A 113 -2.569 -5.279 -3.767 1.00 4.02 C ATOM 1969 CD1 LEU A 113 -3.502 -4.219 -4.333 1.00 0.24 C ATOM 1970 CD2 LEU A 113 -2.637 -5.301 -2.247 1.00 24.50 C ATOM 0 H LEU A 113 -2.853 -8.913 -5.458 1.00 43.42 H new ATOM 0 HA LEU A 113 -3.130 -6.198 -6.428 1.00 5.40 H new ATOM 0 HB2 LEU A 113 -3.977 -6.831 -4.227 1.00 4.00 H new ATOM 0 HB3 LEU A 113 -2.398 -7.417 -3.741 1.00 4.00 H new ATOM 0 HG LEU A 113 -1.551 -5.025 -4.061 1.00 4.02 H new ATOM 0 HD11 LEU A 113 -3.245 -3.246 -3.913 1.00 0.24 H new ATOM 0 HD12 LEU A 113 -3.399 -4.185 -5.418 1.00 0.24 H new ATOM 0 HD13 LEU A 113 -4.532 -4.465 -4.074 1.00 0.24 H new ATOM 0 HD21 LEU A 113 -2.395 -4.312 -1.858 1.00 24.50 H new ATOM 0 HD22 LEU A 113 -3.643 -5.579 -1.932 1.00 24.50 H new ATOM 0 HD23 LEU A 113 -1.922 -6.028 -1.861 1.00 24.50 H new ATOM 1982 N VAL A 114 -0.781 -5.298 -6.375 1.00 1.13 N ATOM 1983 CA VAL A 114 0.581 -4.883 -6.606 1.00 14.23 C ATOM 1984 C VAL A 114 0.900 -3.505 -6.037 1.00 13.24 C ATOM 1985 O VAL A 114 0.053 -2.610 -5.987 1.00 62.34 O ATOM 1986 CB VAL A 114 0.902 -4.861 -8.098 1.00 53.42 C ATOM 1987 CG1 VAL A 114 1.257 -6.252 -8.595 1.00 5.02 C ATOM 1988 CG2 VAL A 114 -0.235 -4.270 -8.901 1.00 54.41 C ATOM 0 H VAL A 114 -1.480 -4.570 -6.521 1.00 1.13 H new ATOM 0 HA VAL A 114 1.194 -5.620 -6.087 1.00 14.23 H new ATOM 0 HB VAL A 114 1.771 -4.218 -8.240 1.00 53.42 H new ATOM 0 HG11 VAL A 114 1.482 -6.211 -9.661 1.00 5.02 H new ATOM 0 HG12 VAL A 114 2.129 -6.620 -8.054 1.00 5.02 H new ATOM 0 HG13 VAL A 114 0.415 -6.924 -8.427 1.00 5.02 H new ATOM 0 HG21 VAL A 114 0.028 -4.270 -9.959 1.00 54.41 H new ATOM 0 HG22 VAL A 114 -1.135 -4.866 -8.751 1.00 54.41 H new ATOM 0 HG23 VAL A 114 -0.419 -3.247 -8.573 1.00 54.41 H new ATOM 1998 N GLN A 115 2.159 -3.356 -5.653 1.00 11.00 N ATOM 1999 CA GLN A 115 2.691 -2.104 -5.123 1.00 51.34 C ATOM 2000 C GLN A 115 4.100 -1.884 -5.676 1.00 4.24 C ATOM 2001 O GLN A 115 5.007 -2.671 -5.394 1.00 1.45 O ATOM 2002 CB GLN A 115 2.714 -2.122 -3.592 1.00 41.14 C ATOM 2003 CG GLN A 115 2.952 -0.752 -2.972 1.00 43.52 C ATOM 2004 CD GLN A 115 2.289 -0.595 -1.615 1.00 11.10 C ATOM 2005 OE1 GLN A 115 1.486 0.312 -1.408 1.00 2.40 O ATOM 2006 NE2 GLN A 115 2.630 -1.470 -0.677 1.00 40.24 N ATOM 0 H GLN A 115 2.849 -4.106 -5.700 1.00 11.00 H new ATOM 0 HA GLN A 115 2.044 -1.284 -5.434 1.00 51.34 H new ATOM 0 HB2 GLN A 115 1.766 -2.518 -3.227 1.00 41.14 H new ATOM 0 HB3 GLN A 115 3.495 -2.805 -3.256 1.00 41.14 H new ATOM 0 HG2 GLN A 115 4.024 -0.587 -2.868 1.00 43.52 H new ATOM 0 HG3 GLN A 115 2.575 0.017 -3.646 1.00 43.52 H new ATOM 0 HE21 GLN A 115 3.301 -2.209 -0.888 1.00 40.24 H new ATOM 0 HE22 GLN A 115 2.221 -1.403 0.255 1.00 40.24 H new ATOM 2015 N THR A 116 4.278 -0.835 -6.476 1.00 62.11 N ATOM 2016 CA THR A 116 5.582 -0.544 -7.076 1.00 35.22 C ATOM 2017 C THR A 116 6.349 0.499 -6.271 1.00 51.32 C ATOM 2018 O THR A 116 5.753 1.400 -5.682 1.00 61.55 O ATOM 2019 CB THR A 116 5.415 -0.051 -8.519 1.00 32.14 C ATOM 2020 OG1 THR A 116 4.405 -0.783 -9.192 1.00 12.40 O ATOM 2021 CG2 THR A 116 6.684 -0.156 -9.341 1.00 14.34 C ATOM 0 H THR A 116 3.541 -0.174 -6.724 1.00 62.11 H new ATOM 0 HA THR A 116 6.153 -1.473 -7.073 1.00 35.22 H new ATOM 0 HB THR A 116 5.144 1.001 -8.430 1.00 32.14 H new ATOM 0 HG1 THR A 116 4.316 -0.450 -10.109 1.00 12.40 H new ATOM 0 HG21 THR A 116 6.495 0.209 -10.350 1.00 14.34 H new ATOM 0 HG22 THR A 116 7.468 0.444 -8.879 1.00 14.34 H new ATOM 0 HG23 THR A 116 7.003 -1.197 -9.386 1.00 14.34 H new ATOM 2029 N TYR A 117 7.678 0.375 -6.272 1.00 33.44 N ATOM 2030 CA TYR A 117 8.549 1.314 -5.566 1.00 20.44 C ATOM 2031 C TYR A 117 9.730 1.695 -6.446 1.00 14.33 C ATOM 2032 O TYR A 117 10.347 0.836 -7.078 1.00 51.24 O ATOM 2033 CB TYR A 117 9.090 0.728 -4.257 1.00 72.24 C ATOM 2034 CG TYR A 117 8.066 0.008 -3.411 1.00 71.41 C ATOM 2035 CD1 TYR A 117 7.584 -1.240 -3.778 1.00 32.30 C ATOM 2036 CD2 TYR A 117 7.592 0.577 -2.236 1.00 54.33 C ATOM 2037 CE1 TYR A 117 6.656 -1.902 -3.000 1.00 32.12 C ATOM 2038 CE2 TYR A 117 6.665 -0.080 -1.451 1.00 31.21 C ATOM 2039 CZ TYR A 117 6.200 -1.320 -1.837 1.00 23.30 C ATOM 2040 OH TYR A 117 5.277 -1.980 -1.058 1.00 42.41 O ATOM 0 H TYR A 117 8.176 -0.371 -6.757 1.00 33.44 H new ATOM 0 HA TYR A 117 7.945 2.190 -5.331 1.00 20.44 H new ATOM 0 HB2 TYR A 117 9.897 0.035 -4.493 1.00 72.24 H new ATOM 0 HB3 TYR A 117 9.525 1.535 -3.667 1.00 72.24 H new ATOM 0 HD1 TYR A 117 7.941 -1.701 -4.687 1.00 32.30 H new ATOM 0 HD2 TYR A 117 7.954 1.548 -1.932 1.00 54.33 H new ATOM 0 HE1 TYR A 117 6.289 -2.872 -3.301 1.00 32.12 H new ATOM 0 HE2 TYR A 117 6.306 0.375 -0.540 1.00 31.21 H new ATOM 0 HH TYR A 117 5.238 -1.562 -0.172 1.00 42.41 H new ATOM 2050 N VAL A 118 10.042 2.982 -6.478 1.00 74.42 N ATOM 2051 CA VAL A 118 11.159 3.476 -7.277 1.00 62.15 C ATOM 2052 C VAL A 118 12.252 4.079 -6.389 1.00 44.02 C ATOM 2053 O VAL A 118 12.046 5.114 -5.751 1.00 20.14 O ATOM 2054 CB VAL A 118 10.712 4.522 -8.320 1.00 22.43 C ATOM 2055 CG1 VAL A 118 11.591 4.419 -9.558 1.00 53.11 C ATOM 2056 CG2 VAL A 118 9.244 4.341 -8.691 1.00 42.23 C ATOM 0 H VAL A 118 9.540 3.704 -5.962 1.00 74.42 H new ATOM 0 HA VAL A 118 11.561 2.613 -7.808 1.00 62.15 H new ATOM 0 HB VAL A 118 10.822 5.514 -7.883 1.00 22.43 H new ATOM 0 HG11 VAL A 118 11.273 5.159 -10.293 1.00 53.11 H new ATOM 0 HG12 VAL A 118 12.630 4.604 -9.283 1.00 53.11 H new ATOM 0 HG13 VAL A 118 11.501 3.421 -9.986 1.00 53.11 H new ATOM 0 HG21 VAL A 118 8.959 5.093 -9.427 1.00 42.23 H new ATOM 0 HG22 VAL A 118 9.095 3.346 -9.111 1.00 42.23 H new ATOM 0 HG23 VAL A 118 8.627 4.454 -7.800 1.00 42.23 H new ATOM 2066 N TYR A 119 13.413 3.416 -6.357 1.00 3.24 N ATOM 2067 CA TYR A 119 14.550 3.865 -5.552 1.00 63.11 C ATOM 2068 C TYR A 119 15.783 4.096 -6.429 1.00 63.42 C ATOM 2069 O TYR A 119 16.378 3.146 -6.942 1.00 21.25 O ATOM 2070 CB TYR A 119 14.854 2.827 -4.460 1.00 44.42 C ATOM 2071 CG TYR A 119 15.857 3.275 -3.407 1.00 55.04 C ATOM 2072 CD1 TYR A 119 15.614 4.389 -2.604 1.00 42.53 C ATOM 2073 CD2 TYR A 119 17.042 2.568 -3.207 1.00 12.04 C ATOM 2074 CE1 TYR A 119 16.524 4.787 -1.635 1.00 25.40 C ATOM 2075 CE2 TYR A 119 17.953 2.954 -2.244 1.00 63.42 C ATOM 2076 CZ TYR A 119 17.691 4.063 -1.461 1.00 34.43 C ATOM 2077 OH TYR A 119 18.597 4.448 -0.500 1.00 61.11 O ATOM 0 H TYR A 119 13.589 2.561 -6.884 1.00 3.24 H new ATOM 0 HA TYR A 119 14.291 4.814 -5.081 1.00 63.11 H new ATOM 0 HB2 TYR A 119 13.921 2.562 -3.962 1.00 44.42 H new ATOM 0 HB3 TYR A 119 15.230 1.921 -4.936 1.00 44.42 H new ATOM 0 HD1 TYR A 119 14.702 4.952 -2.739 1.00 42.53 H new ATOM 0 HD2 TYR A 119 17.251 1.702 -3.817 1.00 12.04 H new ATOM 0 HE1 TYR A 119 16.324 5.654 -1.022 1.00 25.40 H new ATOM 0 HE2 TYR A 119 18.865 2.393 -2.103 1.00 63.42 H new ATOM 0 HH TYR A 119 19.361 3.834 -0.506 1.00 61.11 H new ATOM 2087 N GLU A 120 16.157 5.368 -6.592 1.00 75.32 N ATOM 2088 CA GLU A 120 17.322 5.757 -7.396 1.00 60.12 C ATOM 2089 C GLU A 120 17.291 5.151 -8.805 1.00 55.22 C ATOM 2090 O GLU A 120 18.283 4.579 -9.263 1.00 34.55 O ATOM 2091 CB GLU A 120 18.618 5.356 -6.681 1.00 12.03 C ATOM 2092 CG GLU A 120 18.822 6.045 -5.339 1.00 34.31 C ATOM 2093 CD GLU A 120 19.001 7.551 -5.456 1.00 12.43 C ATOM 2094 OE1 GLU A 120 19.469 8.024 -6.516 1.00 65.54 O ATOM 2095 OE2 GLU A 120 18.677 8.260 -4.480 1.00 2.14 O ATOM 0 H GLU A 120 15.663 6.156 -6.172 1.00 75.32 H new ATOM 0 HA GLU A 120 17.285 6.841 -7.508 1.00 60.12 H new ATOM 0 HB2 GLU A 120 18.618 4.277 -6.528 1.00 12.03 H new ATOM 0 HB3 GLU A 120 19.464 5.586 -7.328 1.00 12.03 H new ATOM 0 HG2 GLU A 120 17.965 5.837 -4.698 1.00 34.31 H new ATOM 0 HG3 GLU A 120 19.698 5.619 -4.849 1.00 34.31 H new ATOM 2102 N GLY A 121 16.153 5.286 -9.492 1.00 2.31 N ATOM 2103 CA GLY A 121 16.027 4.756 -10.848 1.00 60.42 C ATOM 2104 C GLY A 121 15.551 3.311 -10.900 1.00 63.33 C ATOM 2105 O GLY A 121 15.015 2.872 -11.919 1.00 25.31 O ATOM 0 H GLY A 121 15.318 5.751 -9.136 1.00 2.31 H new ATOM 0 HA2 GLY A 121 15.330 5.379 -11.408 1.00 60.42 H new ATOM 0 HA3 GLY A 121 16.993 4.829 -11.348 1.00 60.42 H new ATOM 2109 N VAL A 122 15.752 2.570 -9.811 1.00 64.25 N ATOM 2110 CA VAL A 122 15.345 1.173 -9.744 1.00 73.12 C ATOM 2111 C VAL A 122 13.888 1.048 -9.310 1.00 72.41 C ATOM 2112 O VAL A 122 13.533 1.415 -8.188 1.00 60.51 O ATOM 2113 CB VAL A 122 16.250 0.387 -8.770 1.00 72.45 C ATOM 2114 CG1 VAL A 122 15.630 -0.952 -8.396 1.00 42.44 C ATOM 2115 CG2 VAL A 122 17.634 0.192 -9.374 1.00 52.32 C ATOM 0 H VAL A 122 16.196 2.919 -8.962 1.00 64.25 H new ATOM 0 HA VAL A 122 15.448 0.750 -10.743 1.00 73.12 H new ATOM 0 HB VAL A 122 16.349 0.971 -7.855 1.00 72.45 H new ATOM 0 HG11 VAL A 122 16.292 -1.480 -7.710 1.00 42.44 H new ATOM 0 HG12 VAL A 122 14.666 -0.785 -7.915 1.00 42.44 H new ATOM 0 HG13 VAL A 122 15.487 -1.551 -9.296 1.00 42.44 H new ATOM 0 HG21 VAL A 122 18.261 -0.363 -8.676 1.00 52.32 H new ATOM 0 HG22 VAL A 122 17.549 -0.365 -10.307 1.00 52.32 H new ATOM 0 HG23 VAL A 122 18.085 1.164 -9.572 1.00 52.32 H new ATOM 2125 N GLU A 123 13.052 0.523 -10.206 1.00 34.40 N ATOM 2126 CA GLU A 123 11.636 0.342 -9.920 1.00 3.04 C ATOM 2127 C GLU A 123 11.321 -1.132 -9.676 1.00 64.34 C ATOM 2128 O GLU A 123 11.259 -1.931 -10.611 1.00 64.33 O ATOM 2129 CB GLU A 123 10.779 0.884 -11.066 1.00 24.20 C ATOM 2130 CG GLU A 123 9.492 1.545 -10.601 1.00 63.23 C ATOM 2131 CD GLU A 123 8.404 1.514 -11.656 1.00 73.42 C ATOM 2132 OE1 GLU A 123 8.012 0.403 -12.073 1.00 12.54 O ATOM 2133 OE2 GLU A 123 7.942 2.599 -12.066 1.00 33.14 O ATOM 0 H GLU A 123 13.335 0.216 -11.137 1.00 34.40 H new ATOM 0 HA GLU A 123 11.399 0.902 -9.016 1.00 3.04 H new ATOM 0 HB2 GLU A 123 11.364 1.606 -11.636 1.00 24.20 H new ATOM 0 HB3 GLU A 123 10.534 0.066 -11.744 1.00 24.20 H new ATOM 0 HG2 GLU A 123 9.135 1.043 -9.702 1.00 63.23 H new ATOM 0 HG3 GLU A 123 9.698 2.580 -10.328 1.00 63.23 H new ATOM 2140 N ALA A 124 11.130 -1.478 -8.407 1.00 44.34 N ATOM 2141 CA ALA A 124 10.822 -2.849 -8.010 1.00 12.21 C ATOM 2142 C ALA A 124 9.411 -2.940 -7.432 1.00 3.45 C ATOM 2143 O ALA A 124 8.885 -1.952 -6.916 1.00 11.22 O ATOM 2144 CB ALA A 124 11.846 -3.334 -6.996 1.00 24.12 C ATOM 0 H ALA A 124 11.184 -0.821 -7.629 1.00 44.34 H new ATOM 0 HA ALA A 124 10.867 -3.488 -8.892 1.00 12.21 H new ATOM 0 HB1 ALA A 124 11.612 -4.357 -6.703 1.00 24.12 H new ATOM 0 HB2 ALA A 124 12.841 -3.303 -7.440 1.00 24.12 H new ATOM 0 HB3 ALA A 124 11.821 -2.690 -6.117 1.00 24.12 H new ATOM 2150 N LYS A 125 8.796 -4.122 -7.519 1.00 23.22 N ATOM 2151 CA LYS A 125 7.438 -4.312 -6.999 1.00 45.24 C ATOM 2152 C LYS A 125 7.219 -5.723 -6.453 1.00 34.12 C ATOM 2153 O LYS A 125 7.927 -6.667 -6.814 1.00 3.13 O ATOM 2154 CB LYS A 125 6.375 -4.017 -8.075 1.00 74.41 C ATOM 2155 CG LYS A 125 6.928 -3.687 -9.456 1.00 13.30 C ATOM 2156 CD LYS A 125 7.433 -4.929 -10.178 1.00 4.11 C ATOM 2157 CE LYS A 125 7.020 -4.931 -11.644 1.00 12.33 C ATOM 2158 NZ LYS A 125 7.864 -5.843 -12.469 1.00 1.01 N ATOM 0 H LYS A 125 9.210 -4.954 -7.939 1.00 23.22 H new ATOM 0 HA LYS A 125 7.328 -3.602 -6.179 1.00 45.24 H new ATOM 0 HB2 LYS A 125 5.718 -4.882 -8.161 1.00 74.41 H new ATOM 0 HB3 LYS A 125 5.761 -3.182 -7.738 1.00 74.41 H new ATOM 0 HG2 LYS A 125 6.151 -3.211 -10.054 1.00 13.30 H new ATOM 0 HG3 LYS A 125 7.741 -2.968 -9.359 1.00 13.30 H new ATOM 0 HD2 LYS A 125 8.520 -4.976 -10.105 1.00 4.11 H new ATOM 0 HD3 LYS A 125 7.041 -5.820 -9.688 1.00 4.11 H new ATOM 0 HE2 LYS A 125 5.976 -5.234 -11.725 1.00 12.33 H new ATOM 0 HE3 LYS A 125 7.090 -3.918 -12.040 1.00 12.33 H new ATOM 0 HZ1 LYS A 125 8.207 -5.334 -13.309 1.00 1.01 H new ATOM 0 HZ2 LYS A 125 8.676 -6.169 -11.906 1.00 1.01 H new ATOM 0 HZ3 LYS A 125 7.299 -6.663 -12.768 1.00 1.01 H new ATOM 2172 N ARG A 126 6.207 -5.846 -5.593 1.00 62.24 N ATOM 2173 CA ARG A 126 5.828 -7.119 -4.984 1.00 12.32 C ATOM 2174 C ARG A 126 4.379 -7.438 -5.338 1.00 62.22 C ATOM 2175 O ARG A 126 3.492 -6.597 -5.160 1.00 33.43 O ATOM 2176 CB ARG A 126 5.989 -7.052 -3.464 1.00 44.04 C ATOM 2177 CG ARG A 126 6.463 -8.355 -2.841 1.00 2.12 C ATOM 2178 CD ARG A 126 7.782 -8.171 -2.108 1.00 11.30 C ATOM 2179 NE ARG A 126 7.991 -9.191 -1.081 1.00 11.52 N ATOM 2180 CZ ARG A 126 8.729 -9.006 0.017 1.00 5.52 C ATOM 2181 NH1 ARG A 126 9.353 -7.849 0.226 1.00 3.04 N ATOM 2182 NH2 ARG A 126 8.843 -9.985 0.910 1.00 62.22 N ATOM 0 H ARG A 126 5.626 -5.061 -5.299 1.00 62.24 H new ATOM 0 HA ARG A 126 6.479 -7.904 -5.367 1.00 12.32 H new ATOM 0 HB2 ARG A 126 6.699 -6.262 -3.217 1.00 44.04 H new ATOM 0 HB3 ARG A 126 5.034 -6.773 -3.018 1.00 44.04 H new ATOM 0 HG2 ARG A 126 5.708 -8.724 -2.147 1.00 2.12 H new ATOM 0 HG3 ARG A 126 6.579 -9.111 -3.618 1.00 2.12 H new ATOM 0 HD2 ARG A 126 8.602 -8.207 -2.825 1.00 11.30 H new ATOM 0 HD3 ARG A 126 7.805 -7.184 -1.647 1.00 11.30 H new ATOM 0 HE ARG A 126 7.546 -10.099 -1.211 1.00 11.52 H new ATOM 0 HH11 ARG A 126 9.270 -7.094 -0.455 1.00 3.04 H new ATOM 0 HH12 ARG A 126 9.914 -7.717 1.067 1.00 3.04 H new ATOM 0 HH21 ARG A 126 8.368 -10.874 0.755 1.00 62.22 H new ATOM 0 HH22 ARG A 126 9.406 -9.847 1.749 1.00 62.22 H new ATOM 2196 N ILE A 127 4.143 -8.649 -5.838 1.00 60.44 N ATOM 2197 CA ILE A 127 2.799 -9.072 -6.214 1.00 55.24 C ATOM 2198 C ILE A 127 2.188 -9.932 -5.118 1.00 34.20 C ATOM 2199 O ILE A 127 2.574 -11.089 -4.933 1.00 73.23 O ATOM 2200 CB ILE A 127 2.787 -9.869 -7.536 1.00 21.42 C ATOM 2201 CG1 ILE A 127 3.499 -9.097 -8.648 1.00 53.42 C ATOM 2202 CG2 ILE A 127 1.357 -10.198 -7.949 1.00 53.35 C ATOM 2203 CD1 ILE A 127 4.037 -9.993 -9.742 1.00 20.21 C ATOM 0 H ILE A 127 4.865 -9.353 -5.991 1.00 60.44 H new ATOM 0 HA ILE A 127 2.212 -8.164 -6.354 1.00 55.24 H new ATOM 0 HB ILE A 127 3.326 -10.802 -7.372 1.00 21.42 H new ATOM 0 HG12 ILE A 127 2.806 -8.378 -9.084 1.00 53.42 H new ATOM 0 HG13 ILE A 127 4.321 -8.526 -8.217 1.00 53.42 H new ATOM 0 HG21 ILE A 127 1.368 -10.760 -8.883 1.00 53.35 H new ATOM 0 HG22 ILE A 127 0.882 -10.796 -7.171 1.00 53.35 H new ATOM 0 HG23 ILE A 127 0.797 -9.273 -8.089 1.00 53.35 H new ATOM 0 HD11 ILE A 127 4.531 -9.385 -10.500 1.00 20.21 H new ATOM 0 HD12 ILE A 127 4.754 -10.696 -9.317 1.00 20.21 H new ATOM 0 HD13 ILE A 127 3.215 -10.545 -10.198 1.00 20.21 H new ATOM 2215 N PHE A 128 1.234 -9.363 -4.393 1.00 4.04 N ATOM 2216 CA PHE A 128 0.572 -10.084 -3.318 1.00 24.12 C ATOM 2217 C PHE A 128 -0.745 -10.674 -3.801 1.00 12.40 C ATOM 2218 O PHE A 128 -1.593 -9.963 -4.347 1.00 74.43 O ATOM 2219 CB PHE A 128 0.309 -9.162 -2.123 1.00 12.01 C ATOM 2220 CG PHE A 128 1.467 -8.271 -1.774 1.00 34.22 C ATOM 2221 CD1 PHE A 128 2.506 -8.741 -0.987 1.00 33.20 C ATOM 2222 CD2 PHE A 128 1.514 -6.965 -2.232 1.00 54.02 C ATOM 2223 CE1 PHE A 128 3.571 -7.923 -0.663 1.00 64.21 C ATOM 2224 CE2 PHE A 128 2.576 -6.143 -1.910 1.00 45.01 C ATOM 2225 CZ PHE A 128 3.605 -6.623 -1.124 1.00 14.11 C ATOM 0 H PHE A 128 0.903 -8.408 -4.530 1.00 4.04 H new ATOM 0 HA PHE A 128 1.233 -10.891 -3.003 1.00 24.12 H new ATOM 0 HB2 PHE A 128 -0.561 -8.542 -2.340 1.00 12.01 H new ATOM 0 HB3 PHE A 128 0.058 -9.772 -1.255 1.00 12.01 H new ATOM 0 HD1 PHE A 128 2.483 -9.758 -0.623 1.00 33.20 H new ATOM 0 HD2 PHE A 128 0.712 -6.585 -2.847 1.00 54.02 H new ATOM 0 HE1 PHE A 128 4.376 -8.301 -0.050 1.00 64.21 H new ATOM 0 HE2 PHE A 128 2.602 -5.126 -2.272 1.00 45.01 H new ATOM 0 HZ PHE A 128 4.436 -5.981 -0.870 1.00 14.11 H new ATOM 2235 N LYS A 129 -0.919 -11.968 -3.575 1.00 52.01 N ATOM 2236 CA LYS A 129 -2.143 -12.656 -3.966 1.00 61.23 C ATOM 2237 C LYS A 129 -2.958 -12.979 -2.728 1.00 52.55 C ATOM 2238 O LYS A 129 -2.404 -13.181 -1.646 1.00 32.11 O ATOM 2239 CB LYS A 129 -1.824 -13.939 -4.732 1.00 5.34 C ATOM 2240 CG LYS A 129 -2.999 -14.523 -5.504 1.00 21.43 C ATOM 2241 CD LYS A 129 -3.857 -15.454 -4.652 1.00 54.41 C ATOM 2242 CE LYS A 129 -3.024 -16.415 -3.812 1.00 61.32 C ATOM 2243 NZ LYS A 129 -2.189 -17.315 -4.652 1.00 60.31 N ATOM 0 H LYS A 129 -0.227 -12.565 -3.122 1.00 52.01 H new ATOM 0 HA LYS A 129 -2.718 -12.003 -4.622 1.00 61.23 H new ATOM 0 HB2 LYS A 129 -1.011 -13.738 -5.430 1.00 5.34 H new ATOM 0 HB3 LYS A 129 -1.461 -14.687 -4.027 1.00 5.34 H new ATOM 0 HG2 LYS A 129 -3.619 -13.711 -5.884 1.00 21.43 H new ATOM 0 HG3 LYS A 129 -2.624 -15.070 -6.369 1.00 21.43 H new ATOM 0 HD2 LYS A 129 -4.490 -14.858 -3.995 1.00 54.41 H new ATOM 0 HD3 LYS A 129 -4.520 -16.026 -5.301 1.00 54.41 H new ATOM 0 HE2 LYS A 129 -2.380 -15.845 -3.142 1.00 61.32 H new ATOM 0 HE3 LYS A 129 -3.685 -17.014 -3.186 1.00 61.32 H new ATOM 0 HZ1 LYS A 129 -1.718 -18.017 -4.046 1.00 60.31 H new ATOM 0 HZ2 LYS A 129 -2.793 -17.804 -5.343 1.00 60.31 H new ATOM 0 HZ3 LYS A 129 -1.472 -16.754 -5.154 1.00 60.31 H new ATOM 2257 N LYS A 130 -4.274 -13.007 -2.889 1.00 40.21 N ATOM 2258 CA LYS A 130 -5.178 -13.285 -1.772 1.00 43.41 C ATOM 2259 C LYS A 130 -4.702 -14.463 -0.940 1.00 13.11 C ATOM 2260 O LYS A 130 -4.096 -15.406 -1.451 1.00 23.14 O ATOM 2261 CB LYS A 130 -6.592 -13.575 -2.251 1.00 53.25 C ATOM 2262 CG LYS A 130 -7.128 -12.569 -3.255 1.00 51.34 C ATOM 2263 CD LYS A 130 -8.526 -12.112 -2.879 1.00 25.40 C ATOM 2264 CE LYS A 130 -8.989 -10.956 -3.748 1.00 34.45 C ATOM 2265 NZ LYS A 130 -10.275 -11.258 -4.435 1.00 32.53 N ATOM 0 H LYS A 130 -4.743 -12.841 -3.780 1.00 40.21 H new ATOM 0 HA LYS A 130 -5.180 -12.385 -1.157 1.00 43.41 H new ATOM 0 HB2 LYS A 130 -6.615 -14.568 -2.701 1.00 53.25 H new ATOM 0 HB3 LYS A 130 -7.258 -13.600 -1.388 1.00 53.25 H new ATOM 0 HG2 LYS A 130 -6.461 -11.708 -3.303 1.00 51.34 H new ATOM 0 HG3 LYS A 130 -7.143 -13.016 -4.249 1.00 51.34 H new ATOM 0 HD2 LYS A 130 -9.221 -12.945 -2.980 1.00 25.40 H new ATOM 0 HD3 LYS A 130 -8.541 -11.810 -1.832 1.00 25.40 H new ATOM 0 HE2 LYS A 130 -9.107 -10.064 -3.133 1.00 34.45 H new ATOM 0 HE3 LYS A 130 -8.224 -10.732 -4.492 1.00 34.45 H new ATOM 0 HZ1 LYS A 130 -10.557 -10.444 -5.018 1.00 32.53 H new ATOM 0 HZ2 LYS A 130 -10.156 -12.094 -5.042 1.00 32.53 H new ATOM 0 HZ3 LYS A 130 -11.012 -11.447 -3.726 1.00 32.53 H new ATOM 2279 N ASP A 131 -4.996 -14.399 0.345 1.00 33.44 N ATOM 2280 CA ASP A 131 -4.617 -15.451 1.270 1.00 55.01 C ATOM 2281 C ASP A 131 -5.846 -16.206 1.771 1.00 62.41 C ATOM 2282 O ASP A 131 -5.887 -17.441 1.605 1.00 62.41 O ATOM 2283 CB ASP A 131 -3.841 -14.867 2.451 1.00 0.44 C ATOM 2284 CG ASP A 131 -3.192 -15.941 3.294 1.00 25.35 C ATOM 2285 OD1 ASP A 131 -3.899 -16.564 4.111 1.00 75.41 O ATOM 2286 OD2 ASP A 131 -1.976 -16.161 3.138 1.00 15.32 O ATOM 2287 OXT ASP A 131 -6.754 -15.554 2.329 1.00 62.41 O ATOM 0 H ASP A 131 -5.500 -13.623 0.775 1.00 33.44 H new ATOM 0 HA ASP A 131 -3.976 -16.154 0.738 1.00 55.01 H new ATOM 0 HB2 ASP A 131 -3.075 -14.186 2.079 1.00 0.44 H new ATOM 0 HB3 ASP A 131 -4.516 -14.278 3.072 1.00 0.44 H new TER 2292 ASP A 131 HETATM 2293 C1 OLA A 201 0.922 4.155 3.435 1.00 20.00 C HETATM 2294 O1 OLA A 201 -0.252 3.989 3.040 1.00 20.00 O HETATM 2295 O2 OLA A 201 1.294 5.163 4.072 1.00 20.00 O HETATM 2296 C2 OLA A 201 1.948 3.084 3.116 1.00 20.00 C HETATM 2297 C3 OLA A 201 2.253 2.188 4.307 1.00 20.00 C HETATM 2298 C4 OLA A 201 3.698 1.712 4.295 1.00 20.00 C HETATM 2299 C5 OLA A 201 4.653 2.805 4.753 1.00 20.00 C HETATM 2300 C6 OLA A 201 5.964 2.227 5.263 1.00 20.00 C HETATM 2301 C7 OLA A 201 6.837 1.723 4.122 1.00 20.00 C HETATM 2302 C8 OLA A 201 8.085 1.024 4.640 1.00 20.00 C HETATM 2303 C9 OLA A 201 7.726 -0.377 5.142 1.00 20.00 C HETATM 2304 C10 OLA A 201 8.752 -1.199 5.929 1.00 20.00 C HETATM 2305 C11 OLA A 201 10.140 -0.624 6.217 1.00 20.00 C HETATM 2306 C12 OLA A 201 10.857 -1.491 7.242 1.00 20.00 C HETATM 2307 C13 OLA A 201 11.755 -2.522 6.575 1.00 20.00 C HETATM 2308 C14 OLA A 201 13.142 -2.539 7.200 1.00 20.00 C HETATM 2309 C15 OLA A 201 13.933 -3.767 6.778 1.00 20.00 C HETATM 2310 C16 OLA A 201 13.639 -4.960 7.676 1.00 20.00 C HETATM 2311 C17 OLA A 201 14.619 -6.100 7.434 1.00 20.00 C HETATM 2312 C18 OLA A 201 15.463 -6.478 8.632 1.00 20.00 C HETATM 0 H183 OLA A 201 16.054 -5.618 8.947 1.00 20.00 H new HETATM 0 H182 OLA A 201 14.814 -6.791 9.450 1.00 20.00 H new HETATM 0 H181 OLA A 201 16.129 -7.298 8.364 1.00 20.00 H new HETATM 0 H172 OLA A 201 14.060 -6.978 7.110 1.00 20.00 H new HETATM 0 H171 OLA A 201 15.281 -5.823 6.614 1.00 20.00 H new HETATM 0 H162 OLA A 201 13.690 -4.651 8.720 1.00 20.00 H new HETATM 0 H161 OLA A 201 12.622 -5.309 7.496 1.00 20.00 H new HETATM 0 H152 OLA A 201 13.690 -4.020 5.746 1.00 20.00 H new HETATM 0 H151 OLA A 201 14.999 -3.542 6.809 1.00 20.00 H new HETATM 0 H142 OLA A 201 13.684 -1.639 6.909 1.00 20.00 H new HETATM 0 H141 OLA A 201 13.052 -2.519 8.286 1.00 20.00 H new HETATM 0 H132 OLA A 201 11.303 -3.510 6.662 1.00 20.00 H new HETATM 0 H131 OLA A 201 11.837 -2.301 5.511 1.00 20.00 H new HETATM 0 H122 OLA A 201 11.454 -0.859 7.900 1.00 20.00 H new HETATM 0 H121 OLA A 201 10.122 -1.998 7.868 1.00 20.00 H new HETATM 0 H112 OLA A 201 10.722 -0.577 5.297 1.00 20.00 H new HETATM 0 H111 OLA A 201 10.050 0.396 6.590 1.00 20.00 H new HETATM 0 HO2 OLA A 201 2.030 4.918 4.671 1.00 20.00 H new HETATM 0 H9 OLA A 201 6.738 -0.791 4.939 1.00 20.00 H new HETATM 0 H82 OLA A 201 8.830 0.956 3.847 1.00 20.00 H new HETATM 0 H81 OLA A 201 8.530 1.606 5.447 1.00 20.00 H new HETATM 0 H72 OLA A 201 6.264 1.034 3.501 1.00 20.00 H new HETATM 0 H71 OLA A 201 7.125 2.560 3.486 1.00 20.00 H new HETATM 0 H62 OLA A 201 6.504 2.989 5.825 1.00 20.00 H new HETATM 0 H61 OLA A 201 5.757 1.408 5.953 1.00 20.00 H new HETATM 0 H52 OLA A 201 4.852 3.485 3.925 1.00 20.00 H new HETATM 0 H51 OLA A 201 4.183 3.393 5.542 1.00 20.00 H new HETATM 0 H42 OLA A 201 3.801 0.843 4.945 1.00 20.00 H new HETATM 0 H41 OLA A 201 3.967 1.391 3.289 1.00 20.00 H new HETATM 0 H32 OLA A 201 2.056 2.731 5.231 1.00 20.00 H new HETATM 0 H31 OLA A 201 1.585 1.326 4.295 1.00 20.00 H new HETATM 0 H22 OLA A 201 1.584 2.472 2.291 1.00 20.00 H new HETATM 0 H21 OLA A 201 2.869 3.559 2.779 1.00 20.00 H new HETATM 0 H10 OLA A 201 8.492 -2.196 6.285 1.00 20.00 H new