USER MOD reduce.3.24.130724 H: found=0, std=0, add=1061, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1055 hydrogens (84 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 73 THR OG1 : rot -24:sc= -0.693 USER MOD Set 1.2: A 200 CHO O7 : rot -127:sc= -3.97! USER MOD Set 1.3: A 201 CHO OT2 : rot -150:sc= -4.67! USER MOD Set 2.1: A 97 TYR OH : rot 180:sc= 0.121 USER MOD Set 2.2: A 99 HIS : no HD1:sc= -3.11! C(o=-2.9!,f=-10!) USER MOD Set 2.3: A 112 SER OG : rot -138:sc= 0.118 USER MOD Set 3.1: A 96 ASN : amide:sc= 0.907 K(o=2.2,f=-2.6) USER MOD Set 3.2: A 115 SER OG : rot -43:sc= 1.32 USER MOD Set 4.1: A 52 HIS : no HD1:sc= 0.085 K(o=0.72,f=-1.2!) USER MOD Set 4.2: A 58 THR OG1 : rot 21:sc= 0.639 USER MOD Set 5.1: A 38 THR OG1 : rot -26:sc= 0.0928 USER MOD Set 5.2: A 51 GLN : amide:sc= -0.224 X(o=-0.13,f=-0.43) USER MOD Set 6.1: A 10 SER OG : rot 180:sc= -1.29 USER MOD Set 6.2: A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 177:sc= -0.0937 (180deg=-0.129) USER MOD Single : A 3 THR OG1 : rot 174:sc= -1.56! USER MOD Single : A 5 LYS NZ :NH3+ -100:sc= 1.16 (180deg=-0.635) USER MOD Single : A 6 TYR OH : rot 6:sc= 0.354 USER MOD Single : A 13 ASN : amide:sc= 1.08 K(o=1.1,f=-1.3) USER MOD Single : A 14 TYR OH : rot -156:sc= 1.18 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -155:sc= 1.05 (180deg=0.405) USER MOD Single : A 30 MET CE :methyl -157:sc= -0.189 (180deg=-1.21) USER MOD Single : A 33 ASN : amide:sc= -0.262 X(o=-0.26,f=0) USER MOD Single : A 34 CYS SG : rot -177:sc= 1.15 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0.036) USER MOD Single : A 45 ASN : amide:sc= -0.714 X(o=-0.71,f=-0.87) USER MOD Single : A 48 THR OG1 : rot 140:sc= -0.688 USER MOD Single : A 50 THR OG1 : rot 85:sc= 0.403 USER MOD Single : A 59 THR OG1 : rot -130:sc= -0.104 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.411 USER MOD Single : A 61 ASN : amide:sc= -1.6 K(o=-1.6,f=-6.3!) USER MOD Single : A 62 SER OG : rot 33:sc= 0.407 USER MOD Single : A 64 THR OG1 : rot 18:sc= 1.24 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl -163:sc= -3.34 (180deg=-4.94!) USER MOD Single : A 74 MET CE :methyl -122:sc= -0.294 (180deg=-2.99) USER MOD Single : A 78 LYS NZ :NH3+ 150:sc= 1.19 (180deg=-0.214!) USER MOD Single : A 80 LYS NZ :NH3+ -103:sc= 2.34 (180deg=-1.3) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -147:sc= 1.27 (180deg=0.529) USER MOD Single : A 85 MET CE :methyl 174:sc= -1.06 (180deg=-1.19) USER MOD Single : A 89 LYS NZ :NH3+ -160:sc= 1.24 (180deg=0.921) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 100 THR OG1 : rot 180:sc= -1.25 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 166:sc= 1.12 (180deg=0.816) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot -120:sc= -0.131 USER MOD Single : A 119 TYR OH : rot 35:sc= 0.0322 USER MOD Single : A 120 LYS NZ :NH3+ -150:sc= 1.2 (180deg=-0.284) USER MOD Single : A 123 SER OG : rot 77:sc= 0.562 USER MOD Single : A 124 LYS NZ :NH3+ -124:sc= -0.569 (180deg=-4.13!) USER MOD Single : A 125 LYS NZ :NH3+ 153:sc= -0.0481 (180deg=-0.445) USER MOD Single : A 200 CHO O3 : rot 180:sc= 0 USER MOD Single : A 200 CHO OT2 : rot 149:sc= 0 USER MOD Single : A 201 CHO O3 : rot 141:sc= 1.73 USER MOD Single : A 201 CHO O7 : rot -150:sc= -4.14! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -14.757 -7.453 -4.265 1.00 1.11 N ATOM 2 CA ALA A 1 -13.615 -8.313 -4.656 1.00 0.53 C ATOM 3 C ALA A 1 -12.318 -7.827 -4.018 1.00 0.42 C ATOM 4 O ALA A 1 -11.238 -8.311 -4.353 1.00 0.51 O ATOM 5 CB ALA A 1 -13.471 -8.338 -6.167 1.00 1.00 C ATOM 0 H1 ALA A 1 -15.617 -7.775 -4.753 1.00 1.11 H new ATOM 0 H2 ALA A 1 -14.900 -7.512 -3.237 1.00 1.11 H new ATOM 0 H3 ALA A 1 -14.557 -6.468 -4.531 1.00 1.11 H new ATOM 0 HA ALA A 1 -13.815 -9.323 -4.298 1.00 0.53 H new ATOM 0 HB1 ALA A 1 -12.629 -8.973 -6.442 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -14.384 -8.733 -6.613 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -13.297 -7.326 -6.533 1.00 1.00 H new ATOM 11 N PHE A 2 -12.422 -6.865 -3.110 1.00 0.35 N ATOM 12 CA PHE A 2 -11.242 -6.330 -2.440 1.00 0.27 C ATOM 13 C PHE A 2 -10.950 -7.089 -1.154 1.00 0.23 C ATOM 14 O PHE A 2 -9.812 -7.121 -0.694 1.00 0.25 O ATOM 15 CB PHE A 2 -11.411 -4.838 -2.141 1.00 0.33 C ATOM 16 CG PHE A 2 -11.040 -3.957 -3.298 1.00 0.31 C ATOM 17 CD1 PHE A 2 -9.723 -3.875 -3.728 1.00 1.24 C ATOM 18 CD2 PHE A 2 -12.004 -3.217 -3.960 1.00 1.22 C ATOM 19 CE1 PHE A 2 -9.377 -3.070 -4.798 1.00 1.24 C ATOM 20 CE2 PHE A 2 -11.664 -2.410 -5.030 1.00 1.23 C ATOM 21 CZ PHE A 2 -10.348 -2.335 -5.450 1.00 0.36 C ATOM 0 H PHE A 2 -13.304 -6.441 -2.822 1.00 0.35 H new ATOM 0 HA PHE A 2 -10.396 -6.457 -3.116 1.00 0.27 H new ATOM 0 HB2 PHE A 2 -12.447 -4.645 -1.863 1.00 0.33 H new ATOM 0 HB3 PHE A 2 -10.796 -4.575 -1.280 1.00 0.33 H new ATOM 0 HD1 PHE A 2 -8.959 -4.446 -3.221 1.00 1.24 H new ATOM 0 HD2 PHE A 2 -13.033 -3.270 -3.637 1.00 1.22 H new ATOM 0 HE1 PHE A 2 -8.349 -3.016 -5.124 1.00 1.24 H new ATOM 0 HE2 PHE A 2 -12.426 -1.838 -5.538 1.00 1.23 H new ATOM 0 HZ PHE A 2 -10.081 -1.704 -6.285 1.00 0.36 H new ATOM 31 N THR A 3 -11.978 -7.710 -0.590 1.00 0.20 N ATOM 32 CA THR A 3 -11.837 -8.462 0.650 1.00 0.19 C ATOM 33 C THR A 3 -10.909 -9.663 0.480 1.00 0.19 C ATOM 34 O THR A 3 -10.898 -10.303 -0.577 1.00 0.26 O ATOM 35 CB THR A 3 -13.199 -8.971 1.145 1.00 0.21 C ATOM 36 OG1 THR A 3 -14.241 -8.067 0.757 1.00 0.24 O ATOM 37 CG2 THR A 3 -13.186 -9.130 2.658 1.00 0.26 C ATOM 0 H THR A 3 -12.923 -7.707 -0.974 1.00 0.20 H new ATOM 0 HA THR A 3 -11.408 -7.776 1.380 1.00 0.19 H new ATOM 0 HB THR A 3 -13.390 -9.943 0.690 1.00 0.21 H new ATOM 0 HG1 THR A 3 -15.112 -8.453 0.988 1.00 0.24 H new ATOM 0 HG21 THR A 3 -14.158 -9.491 2.994 1.00 0.26 H new ATOM 0 HG22 THR A 3 -12.415 -9.846 2.942 1.00 0.26 H new ATOM 0 HG23 THR A 3 -12.976 -8.167 3.123 1.00 0.26 H new ATOM 45 N GLY A 4 -10.147 -9.972 1.519 1.00 0.19 N ATOM 46 CA GLY A 4 -9.242 -11.095 1.458 1.00 0.21 C ATOM 47 C GLY A 4 -7.851 -10.722 1.901 1.00 0.19 C ATOM 48 O GLY A 4 -7.552 -9.543 2.093 1.00 0.21 O ATOM 0 H GLY A 4 -10.141 -9.463 2.403 1.00 0.19 H new ATOM 0 HA2 GLY A 4 -9.620 -11.900 2.088 1.00 0.21 H new ATOM 0 HA3 GLY A 4 -9.207 -11.478 0.438 1.00 0.21 H new ATOM 52 N LYS A 5 -7.009 -11.718 2.096 1.00 0.20 N ATOM 53 CA LYS A 5 -5.634 -11.474 2.483 1.00 0.20 C ATOM 54 C LYS A 5 -4.776 -11.530 1.221 1.00 0.18 C ATOM 55 O LYS A 5 -5.046 -12.322 0.320 1.00 0.19 O ATOM 56 CB LYS A 5 -5.177 -12.490 3.546 1.00 0.23 C ATOM 57 CG LYS A 5 -4.162 -13.504 3.050 1.00 0.28 C ATOM 58 CD LYS A 5 -4.092 -14.732 3.943 1.00 0.31 C ATOM 59 CE LYS A 5 -3.693 -14.383 5.366 1.00 0.56 C ATOM 60 NZ LYS A 5 -4.782 -14.673 6.336 1.00 1.54 N ATOM 0 H LYS A 5 -7.253 -12.703 1.993 1.00 0.20 H new ATOM 0 HA LYS A 5 -5.531 -10.490 2.941 1.00 0.20 H new ATOM 0 HB2 LYS A 5 -4.748 -11.948 4.389 1.00 0.23 H new ATOM 0 HB3 LYS A 5 -6.051 -13.023 3.921 1.00 0.23 H new ATOM 0 HG2 LYS A 5 -4.421 -13.809 2.036 1.00 0.28 H new ATOM 0 HG3 LYS A 5 -3.179 -13.037 3.001 1.00 0.28 H new ATOM 0 HD2 LYS A 5 -5.062 -15.229 3.951 1.00 0.31 H new ATOM 0 HD3 LYS A 5 -3.374 -15.440 3.529 1.00 0.31 H new ATOM 0 HE2 LYS A 5 -2.802 -14.947 5.642 1.00 0.56 H new ATOM 0 HE3 LYS A 5 -3.431 -13.326 5.420 1.00 0.56 H new ATOM 0 HZ1 LYS A 5 -5.284 -13.792 6.568 1.00 1.54 H new ATOM 0 HZ2 LYS A 5 -5.449 -15.352 5.916 1.00 1.54 H new ATOM 0 HZ3 LYS A 5 -4.376 -15.078 7.203 1.00 1.54 H new ATOM 74 N TYR A 6 -3.778 -10.675 1.133 1.00 0.19 N ATOM 75 CA TYR A 6 -2.927 -10.628 -0.043 1.00 0.19 C ATOM 76 C TYR A 6 -1.470 -10.710 0.350 1.00 0.19 C ATOM 77 O TYR A 6 -1.049 -10.107 1.334 1.00 0.23 O ATOM 78 CB TYR A 6 -3.186 -9.340 -0.837 1.00 0.22 C ATOM 79 CG TYR A 6 -4.625 -9.186 -1.289 1.00 0.23 C ATOM 80 CD1 TYR A 6 -5.566 -8.562 -0.482 1.00 1.14 C ATOM 81 CD2 TYR A 6 -5.045 -9.680 -2.516 1.00 1.25 C ATOM 82 CE1 TYR A 6 -6.884 -8.436 -0.883 1.00 1.13 C ATOM 83 CE2 TYR A 6 -6.360 -9.553 -2.927 1.00 1.29 C ATOM 84 CZ TYR A 6 -7.276 -8.931 -2.108 1.00 0.35 C ATOM 85 OH TYR A 6 -8.590 -8.808 -2.510 1.00 0.44 O ATOM 0 H TYR A 6 -3.534 -10.003 1.860 1.00 0.19 H new ATOM 0 HA TYR A 6 -3.166 -11.485 -0.672 1.00 0.19 H new ATOM 0 HB2 TYR A 6 -2.913 -8.483 -0.222 1.00 0.22 H new ATOM 0 HB3 TYR A 6 -2.535 -9.325 -1.711 1.00 0.22 H new ATOM 0 HD1 TYR A 6 -5.264 -8.167 0.477 1.00 1.14 H new ATOM 0 HD2 TYR A 6 -4.333 -10.172 -3.162 1.00 1.25 H new ATOM 0 HE1 TYR A 6 -7.603 -7.952 -0.239 1.00 1.13 H new ATOM 0 HE2 TYR A 6 -6.667 -9.940 -3.887 1.00 1.29 H new ATOM 0 HH TYR A 6 -9.082 -8.267 -1.858 1.00 0.44 H new ATOM 95 N GLU A 7 -0.706 -11.467 -0.409 1.00 0.19 N ATOM 96 CA GLU A 7 0.706 -11.627 -0.139 1.00 0.21 C ATOM 97 C GLU A 7 1.520 -11.137 -1.326 1.00 0.19 C ATOM 98 O GLU A 7 1.037 -11.146 -2.461 1.00 0.22 O ATOM 99 CB GLU A 7 1.021 -13.089 0.175 1.00 0.26 C ATOM 100 CG GLU A 7 0.593 -13.512 1.575 1.00 0.33 C ATOM 101 CD GLU A 7 0.773 -14.999 1.822 1.00 0.59 C ATOM 102 OE1 GLU A 7 0.606 -15.790 0.868 1.00 1.20 O ATOM 103 OE2 GLU A 7 1.085 -15.384 2.968 1.00 1.41 O ATOM 0 H GLU A 7 -1.042 -11.983 -1.222 1.00 0.19 H new ATOM 0 HA GLU A 7 0.974 -11.028 0.732 1.00 0.21 H new ATOM 0 HB2 GLU A 7 0.524 -13.726 -0.557 1.00 0.26 H new ATOM 0 HB3 GLU A 7 2.093 -13.254 0.065 1.00 0.26 H new ATOM 0 HG2 GLU A 7 1.172 -12.954 2.311 1.00 0.33 H new ATOM 0 HG3 GLU A 7 -0.454 -13.248 1.725 1.00 0.33 H new ATOM 110 N PHE A 8 2.737 -10.684 -1.044 1.00 0.23 N ATOM 111 CA PHE A 8 3.647 -10.175 -2.066 1.00 0.25 C ATOM 112 C PHE A 8 3.794 -11.170 -3.217 1.00 0.24 C ATOM 113 O PHE A 8 4.188 -12.318 -3.008 1.00 0.33 O ATOM 114 CB PHE A 8 5.015 -9.898 -1.440 1.00 0.33 C ATOM 115 CG PHE A 8 5.838 -8.879 -2.184 1.00 0.68 C ATOM 116 CD1 PHE A 8 6.409 -9.185 -3.411 1.00 1.55 C ATOM 117 CD2 PHE A 8 6.042 -7.613 -1.655 1.00 1.32 C ATOM 118 CE1 PHE A 8 7.164 -8.252 -4.093 1.00 1.86 C ATOM 119 CE2 PHE A 8 6.800 -6.675 -2.336 1.00 1.57 C ATOM 120 CZ PHE A 8 7.362 -6.996 -3.556 1.00 1.49 C ATOM 0 H PHE A 8 3.121 -10.659 -0.100 1.00 0.23 H new ATOM 0 HA PHE A 8 3.232 -9.251 -2.468 1.00 0.25 H new ATOM 0 HB2 PHE A 8 4.871 -9.555 -0.416 1.00 0.33 H new ATOM 0 HB3 PHE A 8 5.574 -10.832 -1.387 1.00 0.33 H new ATOM 0 HD1 PHE A 8 6.261 -10.166 -3.838 1.00 1.55 H new ATOM 0 HD2 PHE A 8 5.605 -7.356 -0.701 1.00 1.32 H new ATOM 0 HE1 PHE A 8 7.600 -8.505 -5.048 1.00 1.86 H new ATOM 0 HE2 PHE A 8 6.952 -5.693 -1.913 1.00 1.57 H new ATOM 0 HZ PHE A 8 7.955 -6.267 -4.088 1.00 1.49 H new ATOM 130 N GLU A 9 3.462 -10.725 -4.422 1.00 0.25 N ATOM 131 CA GLU A 9 3.551 -11.573 -5.598 1.00 0.26 C ATOM 132 C GLU A 9 4.556 -11.010 -6.605 1.00 0.28 C ATOM 133 O GLU A 9 5.364 -11.754 -7.166 1.00 0.34 O ATOM 134 CB GLU A 9 2.168 -11.725 -6.241 1.00 0.27 C ATOM 135 CG GLU A 9 2.165 -12.549 -7.514 1.00 0.35 C ATOM 136 CD GLU A 9 1.045 -13.569 -7.537 1.00 0.61 C ATOM 137 OE1 GLU A 9 -0.058 -13.243 -8.016 1.00 1.46 O ATOM 138 OE2 GLU A 9 1.269 -14.706 -7.078 1.00 1.19 O ATOM 0 H GLU A 9 3.128 -9.779 -4.608 1.00 0.25 H new ATOM 0 HA GLU A 9 3.905 -12.556 -5.289 1.00 0.26 H new ATOM 0 HB2 GLU A 9 1.493 -12.187 -5.520 1.00 0.27 H new ATOM 0 HB3 GLU A 9 1.770 -10.734 -6.461 1.00 0.27 H new ATOM 0 HG2 GLU A 9 2.067 -11.886 -8.373 1.00 0.35 H new ATOM 0 HG3 GLU A 9 3.122 -13.061 -7.615 1.00 0.35 H new ATOM 145 N SER A 10 4.512 -9.702 -6.831 1.00 0.26 N ATOM 146 CA SER A 10 5.429 -9.073 -7.772 1.00 0.29 C ATOM 147 C SER A 10 5.651 -7.607 -7.437 1.00 0.27 C ATOM 148 O SER A 10 4.984 -7.052 -6.558 1.00 0.32 O ATOM 149 CB SER A 10 4.878 -9.191 -9.189 1.00 0.34 C ATOM 150 OG SER A 10 3.848 -8.248 -9.422 1.00 1.01 O ATOM 0 H SER A 10 3.858 -9.062 -6.380 1.00 0.26 H new ATOM 0 HA SER A 10 6.386 -9.589 -7.701 1.00 0.29 H new ATOM 0 HB2 SER A 10 5.683 -9.038 -9.908 1.00 0.34 H new ATOM 0 HB3 SER A 10 4.494 -10.199 -9.349 1.00 0.34 H new ATOM 0 HG SER A 10 3.516 -8.347 -10.339 1.00 1.01 H new ATOM 156 N ASP A 11 6.584 -6.989 -8.147 1.00 0.28 N ATOM 157 CA ASP A 11 6.892 -5.586 -7.959 1.00 0.28 C ATOM 158 C ASP A 11 7.547 -5.017 -9.210 1.00 0.28 C ATOM 159 O ASP A 11 8.156 -5.745 -9.999 1.00 0.34 O ATOM 160 CB ASP A 11 7.795 -5.378 -6.742 1.00 0.32 C ATOM 161 CG ASP A 11 9.269 -5.594 -7.044 1.00 0.97 C ATOM 162 OD1 ASP A 11 9.742 -6.748 -6.932 1.00 1.72 O ATOM 163 OD2 ASP A 11 9.961 -4.615 -7.390 1.00 1.71 O ATOM 0 H ASP A 11 7.144 -7.447 -8.866 1.00 0.28 H new ATOM 0 HA ASP A 11 5.957 -5.055 -7.779 1.00 0.28 H new ATOM 0 HB2 ASP A 11 7.653 -4.366 -6.362 1.00 0.32 H new ATOM 0 HB3 ASP A 11 7.489 -6.062 -5.950 1.00 0.32 H new ATOM 168 N GLU A 12 7.380 -3.722 -9.399 1.00 0.26 N ATOM 169 CA GLU A 12 7.939 -3.021 -10.541 1.00 0.27 C ATOM 170 C GLU A 12 8.309 -1.595 -10.155 1.00 0.25 C ATOM 171 O GLU A 12 7.556 -0.918 -9.450 1.00 0.26 O ATOM 172 CB GLU A 12 6.920 -3.020 -11.680 1.00 0.32 C ATOM 173 CG GLU A 12 7.277 -2.127 -12.856 1.00 0.38 C ATOM 174 CD GLU A 12 6.207 -2.134 -13.931 1.00 0.57 C ATOM 175 OE1 GLU A 12 5.865 -3.229 -14.427 1.00 1.00 O ATOM 176 OE2 GLU A 12 5.698 -1.050 -14.281 1.00 1.44 O ATOM 0 H GLU A 12 6.852 -3.124 -8.764 1.00 0.26 H new ATOM 0 HA GLU A 12 8.845 -3.530 -10.871 1.00 0.27 H new ATOM 0 HB2 GLU A 12 6.800 -4.041 -12.041 1.00 0.32 H new ATOM 0 HB3 GLU A 12 5.954 -2.706 -11.284 1.00 0.32 H new ATOM 0 HG2 GLU A 12 7.427 -1.107 -12.502 1.00 0.38 H new ATOM 0 HG3 GLU A 12 8.223 -2.457 -13.286 1.00 0.38 H new ATOM 183 N ASN A 13 9.474 -1.163 -10.627 1.00 0.25 N ATOM 184 CA ASN A 13 9.998 0.182 -10.358 1.00 0.25 C ATOM 185 C ASN A 13 10.201 0.407 -8.864 1.00 0.23 C ATOM 186 O ASN A 13 10.025 1.519 -8.366 1.00 0.30 O ATOM 187 CB ASN A 13 9.062 1.254 -10.922 1.00 0.29 C ATOM 188 CG ASN A 13 9.210 1.433 -12.420 1.00 0.45 C ATOM 189 OD1 ASN A 13 10.295 1.256 -12.978 1.00 0.51 O ATOM 190 ND2 ASN A 13 8.122 1.786 -13.084 1.00 0.84 N ATOM 0 H ASN A 13 10.087 -1.734 -11.209 1.00 0.25 H new ATOM 0 HA ASN A 13 10.965 0.261 -10.854 1.00 0.25 H new ATOM 0 HB2 ASN A 13 8.031 0.987 -10.693 1.00 0.29 H new ATOM 0 HB3 ASN A 13 9.263 2.203 -10.425 1.00 0.29 H new ATOM 0 HD21 ASN A 13 8.162 1.921 -14.094 1.00 0.84 H new ATOM 0 HD22 ASN A 13 7.242 1.923 -12.586 1.00 0.84 H new ATOM 197 N TYR A 14 10.590 -0.649 -8.158 1.00 0.23 N ATOM 198 CA TYR A 14 10.803 -0.576 -6.714 1.00 0.25 C ATOM 199 C TYR A 14 11.951 0.366 -6.364 1.00 0.23 C ATOM 200 O TYR A 14 11.765 1.340 -5.629 1.00 0.22 O ATOM 201 CB TYR A 14 11.096 -1.968 -6.135 1.00 0.32 C ATOM 202 CG TYR A 14 11.067 -2.015 -4.617 1.00 0.44 C ATOM 203 CD1 TYR A 14 12.131 -1.529 -3.862 1.00 1.28 C ATOM 204 CD2 TYR A 14 9.969 -2.529 -3.940 1.00 1.30 C ATOM 205 CE1 TYR A 14 12.097 -1.551 -2.485 1.00 1.39 C ATOM 206 CE2 TYR A 14 9.931 -2.560 -2.558 1.00 1.36 C ATOM 207 CZ TYR A 14 10.999 -2.067 -1.838 1.00 0.78 C ATOM 208 OH TYR A 14 10.961 -2.066 -0.465 1.00 0.98 O ATOM 0 H TYR A 14 10.765 -1.569 -8.562 1.00 0.23 H new ATOM 0 HA TYR A 14 9.885 -0.186 -6.275 1.00 0.25 H new ATOM 0 HB2 TYR A 14 10.365 -2.676 -6.526 1.00 0.32 H new ATOM 0 HB3 TYR A 14 12.076 -2.297 -6.481 1.00 0.32 H new ATOM 0 HD1 TYR A 14 12.998 -1.128 -4.365 1.00 1.28 H new ATOM 0 HD2 TYR A 14 9.130 -2.911 -4.503 1.00 1.30 H new ATOM 0 HE1 TYR A 14 12.930 -1.164 -1.916 1.00 1.39 H new ATOM 0 HE2 TYR A 14 9.071 -2.967 -2.046 1.00 1.36 H new ATOM 0 HH TYR A 14 10.353 -2.769 -0.154 1.00 0.98 H new ATOM 218 N ASP A 15 13.134 0.072 -6.892 1.00 0.25 N ATOM 219 CA ASP A 15 14.330 0.866 -6.608 1.00 0.26 C ATOM 220 C ASP A 15 14.166 2.307 -7.072 1.00 0.25 C ATOM 221 O ASP A 15 14.600 3.239 -6.395 1.00 0.26 O ATOM 222 CB ASP A 15 15.559 0.242 -7.271 1.00 0.33 C ATOM 223 CG ASP A 15 15.662 -1.250 -7.018 1.00 0.50 C ATOM 224 OD1 ASP A 15 15.021 -2.029 -7.759 1.00 1.18 O ATOM 225 OD2 ASP A 15 16.377 -1.655 -6.077 1.00 1.30 O ATOM 0 H ASP A 15 13.293 -0.714 -7.522 1.00 0.25 H new ATOM 0 HA ASP A 15 14.471 0.871 -5.527 1.00 0.26 H new ATOM 0 HB2 ASP A 15 15.519 0.423 -8.345 1.00 0.33 H new ATOM 0 HB3 ASP A 15 16.458 0.733 -6.898 1.00 0.33 H new ATOM 230 N ASP A 16 13.534 2.484 -8.222 1.00 0.25 N ATOM 231 CA ASP A 16 13.301 3.818 -8.774 1.00 0.26 C ATOM 232 C ASP A 16 12.400 4.616 -7.847 1.00 0.25 C ATOM 233 O ASP A 16 12.611 5.805 -7.623 1.00 0.29 O ATOM 234 CB ASP A 16 12.648 3.728 -10.154 1.00 0.29 C ATOM 235 CG ASP A 16 13.629 3.374 -11.251 1.00 0.72 C ATOM 236 OD1 ASP A 16 13.821 2.169 -11.516 1.00 1.20 O ATOM 237 OD2 ASP A 16 14.210 4.299 -11.857 1.00 1.46 O ATOM 0 H ASP A 16 13.171 1.722 -8.795 1.00 0.25 H new ATOM 0 HA ASP A 16 14.265 4.317 -8.870 1.00 0.26 H new ATOM 0 HB2 ASP A 16 11.856 2.979 -10.127 1.00 0.29 H new ATOM 0 HB3 ASP A 16 12.177 4.682 -10.390 1.00 0.29 H new ATOM 242 N PHE A 17 11.400 3.936 -7.310 1.00 0.21 N ATOM 243 CA PHE A 17 10.438 4.541 -6.401 1.00 0.21 C ATOM 244 C PHE A 17 11.093 4.951 -5.090 1.00 0.20 C ATOM 245 O PHE A 17 11.029 6.113 -4.688 1.00 0.23 O ATOM 246 CB PHE A 17 9.310 3.548 -6.130 1.00 0.21 C ATOM 247 CG PHE A 17 8.189 4.097 -5.296 1.00 0.24 C ATOM 248 CD1 PHE A 17 7.388 5.123 -5.775 1.00 1.22 C ATOM 249 CD2 PHE A 17 7.925 3.574 -4.042 1.00 1.17 C ATOM 250 CE1 PHE A 17 6.346 5.613 -5.017 1.00 1.24 C ATOM 251 CE2 PHE A 17 6.885 4.065 -3.278 1.00 1.19 C ATOM 252 CZ PHE A 17 6.094 5.086 -3.767 1.00 0.38 C ATOM 0 H PHE A 17 11.232 2.947 -7.492 1.00 0.21 H new ATOM 0 HA PHE A 17 10.039 5.441 -6.869 1.00 0.21 H new ATOM 0 HB2 PHE A 17 8.905 3.208 -7.083 1.00 0.21 H new ATOM 0 HB3 PHE A 17 9.725 2.673 -5.629 1.00 0.21 H new ATOM 0 HD1 PHE A 17 7.582 5.542 -6.751 1.00 1.22 H new ATOM 0 HD2 PHE A 17 8.539 2.773 -3.657 1.00 1.17 H new ATOM 0 HE1 PHE A 17 5.727 6.410 -5.402 1.00 1.24 H new ATOM 0 HE2 PHE A 17 6.690 3.651 -2.300 1.00 1.19 H new ATOM 0 HZ PHE A 17 5.279 5.471 -3.172 1.00 0.38 H new ATOM 262 N VAL A 18 11.736 3.995 -4.431 1.00 0.19 N ATOM 263 CA VAL A 18 12.390 4.253 -3.157 1.00 0.21 C ATOM 264 C VAL A 18 13.464 5.335 -3.272 1.00 0.23 C ATOM 265 O VAL A 18 13.608 6.172 -2.378 1.00 0.26 O ATOM 266 CB VAL A 18 12.996 2.963 -2.560 1.00 0.23 C ATOM 267 CG1 VAL A 18 11.902 1.954 -2.257 1.00 0.25 C ATOM 268 CG2 VAL A 18 14.027 2.351 -3.492 1.00 0.23 C ATOM 0 H VAL A 18 11.818 3.033 -4.760 1.00 0.19 H new ATOM 0 HA VAL A 18 11.617 4.618 -2.481 1.00 0.21 H new ATOM 0 HB VAL A 18 13.499 3.233 -1.631 1.00 0.23 H new ATOM 0 HG11 VAL A 18 12.346 1.051 -1.837 1.00 0.25 H new ATOM 0 HG12 VAL A 18 11.201 2.381 -1.540 1.00 0.25 H new ATOM 0 HG13 VAL A 18 11.373 1.704 -3.176 1.00 0.25 H new ATOM 0 HG21 VAL A 18 14.433 1.445 -3.041 1.00 0.23 H new ATOM 0 HG22 VAL A 18 13.556 2.103 -4.443 1.00 0.23 H new ATOM 0 HG23 VAL A 18 14.833 3.065 -3.662 1.00 0.23 H new ATOM 278 N LYS A 19 14.207 5.334 -4.375 1.00 0.24 N ATOM 279 CA LYS A 19 15.253 6.331 -4.578 1.00 0.29 C ATOM 280 C LYS A 19 14.654 7.699 -4.892 1.00 0.30 C ATOM 281 O LYS A 19 15.248 8.735 -4.588 1.00 0.34 O ATOM 282 CB LYS A 19 16.202 5.898 -5.703 1.00 0.33 C ATOM 283 CG LYS A 19 17.306 4.959 -5.240 1.00 0.41 C ATOM 284 CD LYS A 19 18.308 5.667 -4.343 1.00 0.54 C ATOM 285 CE LYS A 19 18.918 4.714 -3.329 1.00 0.87 C ATOM 286 NZ LYS A 19 19.994 5.368 -2.536 1.00 1.18 N ATOM 0 H LYS A 19 14.106 4.661 -5.135 1.00 0.24 H new ATOM 0 HA LYS A 19 15.821 6.411 -3.651 1.00 0.29 H new ATOM 0 HB2 LYS A 19 15.624 5.408 -6.486 1.00 0.33 H new ATOM 0 HB3 LYS A 19 16.653 6.785 -6.148 1.00 0.33 H new ATOM 0 HG2 LYS A 19 16.867 4.119 -4.702 1.00 0.41 H new ATOM 0 HG3 LYS A 19 17.822 4.548 -6.108 1.00 0.41 H new ATOM 0 HD2 LYS A 19 19.098 6.105 -4.953 1.00 0.54 H new ATOM 0 HD3 LYS A 19 17.815 6.488 -3.822 1.00 0.54 H new ATOM 0 HE2 LYS A 19 18.140 4.351 -2.657 1.00 0.87 H new ATOM 0 HE3 LYS A 19 19.324 3.844 -3.846 1.00 0.87 H new ATOM 0 HZ1 LYS A 19 20.386 4.687 -1.855 1.00 1.18 H new ATOM 0 HZ2 LYS A 19 20.748 5.692 -3.175 1.00 1.18 H new ATOM 0 HZ3 LYS A 19 19.601 6.183 -2.023 1.00 1.18 H new ATOM 300 N LYS A 20 13.473 7.697 -5.487 1.00 0.29 N ATOM 301 CA LYS A 20 12.796 8.933 -5.851 1.00 0.32 C ATOM 302 C LYS A 20 12.165 9.609 -4.638 1.00 0.31 C ATOM 303 O LYS A 20 12.291 10.820 -4.455 1.00 0.36 O ATOM 304 CB LYS A 20 11.715 8.646 -6.894 1.00 0.35 C ATOM 305 CG LYS A 20 11.301 9.861 -7.701 1.00 0.58 C ATOM 306 CD LYS A 20 12.373 10.248 -8.705 1.00 0.73 C ATOM 307 CE LYS A 20 11.851 11.273 -9.695 1.00 0.71 C ATOM 308 NZ LYS A 20 12.811 11.538 -10.803 1.00 0.88 N ATOM 0 H LYS A 20 12.960 6.849 -5.730 1.00 0.29 H new ATOM 0 HA LYS A 20 13.543 9.610 -6.265 1.00 0.32 H new ATOM 0 HB2 LYS A 20 12.077 7.876 -7.575 1.00 0.35 H new ATOM 0 HB3 LYS A 20 10.837 8.240 -6.391 1.00 0.35 H new ATOM 0 HG2 LYS A 20 10.368 9.652 -8.224 1.00 0.58 H new ATOM 0 HG3 LYS A 20 11.109 10.698 -7.030 1.00 0.58 H new ATOM 0 HD2 LYS A 20 13.238 10.653 -8.180 1.00 0.73 H new ATOM 0 HD3 LYS A 20 12.712 9.361 -9.240 1.00 0.73 H new ATOM 0 HE2 LYS A 20 10.907 10.922 -10.113 1.00 0.71 H new ATOM 0 HE3 LYS A 20 11.640 12.205 -9.171 1.00 0.71 H new ATOM 0 HZ1 LYS A 20 12.407 12.244 -11.451 1.00 0.88 H new ATOM 0 HZ2 LYS A 20 13.704 11.899 -10.410 1.00 0.88 H new ATOM 0 HZ3 LYS A 20 12.993 10.656 -11.323 1.00 0.88 H new ATOM 322 N ILE A 21 11.497 8.819 -3.806 1.00 0.28 N ATOM 323 CA ILE A 21 10.827 9.349 -2.626 1.00 0.30 C ATOM 324 C ILE A 21 11.809 9.657 -1.499 1.00 0.32 C ATOM 325 O ILE A 21 11.472 10.352 -0.539 1.00 0.39 O ATOM 326 CB ILE A 21 9.737 8.379 -2.128 1.00 0.29 C ATOM 327 CG1 ILE A 21 10.353 7.040 -1.709 1.00 0.24 C ATOM 328 CG2 ILE A 21 8.709 8.174 -3.231 1.00 0.31 C ATOM 329 CD1 ILE A 21 9.437 6.180 -0.869 1.00 0.30 C ATOM 0 H ILE A 21 11.405 7.810 -3.927 1.00 0.28 H new ATOM 0 HA ILE A 21 10.357 10.286 -2.924 1.00 0.30 H new ATOM 0 HB ILE A 21 9.248 8.807 -1.253 1.00 0.29 H new ATOM 0 HG12 ILE A 21 10.636 6.486 -2.604 1.00 0.24 H new ATOM 0 HG13 ILE A 21 11.269 7.232 -1.150 1.00 0.24 H new ATOM 0 HG21 ILE A 21 7.935 7.489 -2.885 1.00 0.31 H new ATOM 0 HG22 ILE A 21 8.257 9.131 -3.489 1.00 0.31 H new ATOM 0 HG23 ILE A 21 9.198 7.755 -4.110 1.00 0.31 H new ATOM 0 HD11 ILE A 21 9.945 5.250 -0.613 1.00 0.30 H new ATOM 0 HD12 ILE A 21 9.174 6.713 0.044 1.00 0.30 H new ATOM 0 HD13 ILE A 21 8.531 5.956 -1.432 1.00 0.30 H new ATOM 341 N GLY A 22 13.024 9.148 -1.623 1.00 0.31 N ATOM 342 CA GLY A 22 14.031 9.394 -0.615 1.00 0.36 C ATOM 343 C GLY A 22 13.928 8.444 0.564 1.00 0.34 C ATOM 344 O GLY A 22 14.163 8.838 1.711 1.00 0.39 O ATOM 0 H GLY A 22 13.331 8.569 -2.404 1.00 0.31 H new ATOM 0 HA2 GLY A 22 15.019 9.301 -1.065 1.00 0.36 H new ATOM 0 HA3 GLY A 22 13.938 10.420 -0.258 1.00 0.36 H new ATOM 348 N LEU A 23 13.567 7.197 0.286 1.00 0.28 N ATOM 349 CA LEU A 23 13.459 6.184 1.325 1.00 0.27 C ATOM 350 C LEU A 23 14.854 5.818 1.813 1.00 0.28 C ATOM 351 O LEU A 23 15.762 5.643 1.006 1.00 0.28 O ATOM 352 CB LEU A 23 12.763 4.932 0.778 1.00 0.24 C ATOM 353 CG LEU A 23 12.250 3.948 1.835 1.00 0.26 C ATOM 354 CD1 LEU A 23 11.057 4.521 2.574 1.00 0.31 C ATOM 355 CD2 LEU A 23 11.874 2.624 1.198 1.00 0.25 C ATOM 0 H LEU A 23 13.344 6.864 -0.652 1.00 0.28 H new ATOM 0 HA LEU A 23 12.869 6.581 2.151 1.00 0.27 H new ATOM 0 HB2 LEU A 23 11.922 5.246 0.160 1.00 0.24 H new ATOM 0 HB3 LEU A 23 13.460 4.406 0.125 1.00 0.24 H new ATOM 0 HG LEU A 23 13.055 3.779 2.550 1.00 0.26 H new ATOM 0 HD11 LEU A 23 10.711 3.804 3.319 1.00 0.31 H new ATOM 0 HD12 LEU A 23 11.347 5.448 3.070 1.00 0.31 H new ATOM 0 HD13 LEU A 23 10.254 4.724 1.866 1.00 0.31 H new ATOM 0 HD21 LEU A 23 11.512 1.940 1.966 1.00 0.25 H new ATOM 0 HD22 LEU A 23 11.090 2.786 0.458 1.00 0.25 H new ATOM 0 HD23 LEU A 23 12.749 2.193 0.711 1.00 0.25 H new ATOM 367 N PRO A 24 15.064 5.749 3.132 1.00 0.30 N ATOM 368 CA PRO A 24 16.365 5.381 3.696 1.00 0.32 C ATOM 369 C PRO A 24 16.724 3.939 3.365 1.00 0.30 C ATOM 370 O PRO A 24 15.865 3.056 3.412 1.00 0.28 O ATOM 371 CB PRO A 24 16.169 5.549 5.203 1.00 0.37 C ATOM 372 CG PRO A 24 14.701 5.490 5.419 1.00 0.36 C ATOM 373 CD PRO A 24 14.070 6.046 4.177 1.00 0.33 C ATOM 0 HA PRO A 24 17.176 5.990 3.298 1.00 0.32 H new ATOM 0 HB2 PRO A 24 16.679 4.760 5.756 1.00 0.37 H new ATOM 0 HB3 PRO A 24 16.579 6.498 5.549 1.00 0.37 H new ATOM 0 HG2 PRO A 24 14.375 4.465 5.595 1.00 0.36 H new ATOM 0 HG3 PRO A 24 14.413 6.071 6.295 1.00 0.36 H new ATOM 0 HD2 PRO A 24 13.111 5.573 3.966 1.00 0.33 H new ATOM 0 HD3 PRO A 24 13.885 7.117 4.264 1.00 0.33 H new ATOM 381 N ALA A 25 17.994 3.706 3.053 1.00 0.32 N ATOM 382 CA ALA A 25 18.479 2.373 2.699 1.00 0.34 C ATOM 383 C ALA A 25 18.120 1.360 3.773 1.00 0.35 C ATOM 384 O ALA A 25 17.820 0.202 3.477 1.00 0.36 O ATOM 385 CB ALA A 25 19.982 2.393 2.486 1.00 0.39 C ATOM 0 H ALA A 25 18.714 4.429 3.038 1.00 0.32 H new ATOM 0 HA ALA A 25 17.994 2.076 1.769 1.00 0.34 H new ATOM 0 HB1 ALA A 25 20.326 1.392 2.223 1.00 0.39 H new ATOM 0 HB2 ALA A 25 20.226 3.084 1.679 1.00 0.39 H new ATOM 0 HB3 ALA A 25 20.475 2.717 3.403 1.00 0.39 H new ATOM 391 N ASP A 26 18.140 1.821 5.018 1.00 0.37 N ATOM 392 CA ASP A 26 17.816 0.993 6.171 1.00 0.40 C ATOM 393 C ASP A 26 16.460 0.329 6.001 1.00 0.38 C ATOM 394 O ASP A 26 16.298 -0.860 6.275 1.00 0.42 O ATOM 395 CB ASP A 26 17.783 1.845 7.442 1.00 0.46 C ATOM 396 CG ASP A 26 19.053 2.640 7.662 1.00 1.27 C ATOM 397 OD1 ASP A 26 19.236 3.683 6.994 1.00 2.03 O ATOM 398 OD2 ASP A 26 19.866 2.236 8.520 1.00 2.03 O ATOM 0 H ASP A 26 18.382 2.783 5.256 1.00 0.37 H new ATOM 0 HA ASP A 26 18.586 0.226 6.253 1.00 0.40 H new ATOM 0 HB2 ASP A 26 16.937 2.531 7.390 1.00 0.46 H new ATOM 0 HB3 ASP A 26 17.615 1.197 8.302 1.00 0.46 H new ATOM 403 N LYS A 27 15.486 1.101 5.535 1.00 0.35 N ATOM 404 CA LYS A 27 14.136 0.593 5.356 1.00 0.36 C ATOM 405 C LYS A 27 13.969 -0.018 3.976 1.00 0.32 C ATOM 406 O LYS A 27 13.177 -0.941 3.800 1.00 0.33 O ATOM 407 CB LYS A 27 13.096 1.695 5.570 1.00 0.39 C ATOM 408 CG LYS A 27 13.255 2.453 6.884 1.00 0.41 C ATOM 409 CD LYS A 27 12.985 1.563 8.096 1.00 0.48 C ATOM 410 CE LYS A 27 13.136 2.332 9.404 1.00 0.72 C ATOM 411 NZ LYS A 27 13.034 1.453 10.604 1.00 0.94 N ATOM 0 H LYS A 27 15.608 2.080 5.275 1.00 0.35 H new ATOM 0 HA LYS A 27 13.974 -0.182 6.106 1.00 0.36 H new ATOM 0 HB2 LYS A 27 13.158 2.404 4.744 1.00 0.39 H new ATOM 0 HB3 LYS A 27 12.101 1.252 5.536 1.00 0.39 H new ATOM 0 HG2 LYS A 27 14.265 2.857 6.949 1.00 0.41 H new ATOM 0 HG3 LYS A 27 12.571 3.301 6.898 1.00 0.41 H new ATOM 0 HD2 LYS A 27 11.977 1.153 8.029 1.00 0.48 H new ATOM 0 HD3 LYS A 27 13.674 0.719 8.088 1.00 0.48 H new ATOM 0 HE2 LYS A 27 14.100 2.841 9.412 1.00 0.72 H new ATOM 0 HE3 LYS A 27 12.368 3.104 9.458 1.00 0.72 H new ATOM 0 HZ1 LYS A 27 12.722 2.016 11.421 1.00 0.94 H new ATOM 0 HZ2 LYS A 27 12.345 0.695 10.422 1.00 0.94 H new ATOM 0 HZ3 LYS A 27 13.964 1.034 10.808 1.00 0.94 H new ATOM 425 N ILE A 28 14.714 0.500 3.007 1.00 0.30 N ATOM 426 CA ILE A 28 14.643 0.006 1.639 1.00 0.29 C ATOM 427 C ILE A 28 14.983 -1.480 1.592 1.00 0.34 C ATOM 428 O ILE A 28 14.174 -2.303 1.174 1.00 0.37 O ATOM 429 CB ILE A 28 15.619 0.752 0.696 1.00 0.29 C ATOM 430 CG1 ILE A 28 15.212 2.210 0.501 1.00 0.25 C ATOM 431 CG2 ILE A 28 15.681 0.052 -0.648 1.00 0.35 C ATOM 432 CD1 ILE A 28 16.166 2.983 -0.385 1.00 0.26 C ATOM 0 H ILE A 28 15.376 1.264 3.145 1.00 0.30 H new ATOM 0 HA ILE A 28 13.622 0.180 1.300 1.00 0.29 H new ATOM 0 HB ILE A 28 16.604 0.738 1.162 1.00 0.29 H new ATOM 0 HG12 ILE A 28 14.213 2.246 0.067 1.00 0.25 H new ATOM 0 HG13 ILE A 28 15.155 2.698 1.474 1.00 0.25 H new ATOM 0 HG21 ILE A 28 16.370 0.584 -1.304 1.00 0.35 H new ATOM 0 HG22 ILE A 28 16.029 -0.971 -0.509 1.00 0.35 H new ATOM 0 HG23 ILE A 28 14.688 0.040 -1.098 1.00 0.35 H new ATOM 0 HD11 ILE A 28 15.819 4.012 -0.483 1.00 0.26 H new ATOM 0 HD12 ILE A 28 17.161 2.976 0.059 1.00 0.26 H new ATOM 0 HD13 ILE A 28 16.205 2.518 -1.370 1.00 0.26 H new ATOM 444 N GLU A 29 16.181 -1.811 2.065 1.00 0.37 N ATOM 445 CA GLU A 29 16.660 -3.188 2.068 1.00 0.44 C ATOM 446 C GLU A 29 15.860 -4.052 3.035 1.00 0.43 C ATOM 447 O GLU A 29 15.776 -5.269 2.881 1.00 0.47 O ATOM 448 CB GLU A 29 18.144 -3.229 2.444 1.00 0.52 C ATOM 449 CG GLU A 29 19.014 -2.343 1.570 1.00 0.55 C ATOM 450 CD GLU A 29 18.876 -2.661 0.092 1.00 0.94 C ATOM 451 OE1 GLU A 29 19.515 -3.623 -0.373 1.00 1.41 O ATOM 452 OE2 GLU A 29 18.131 -1.946 -0.608 1.00 1.73 O ATOM 0 H GLU A 29 16.842 -1.138 2.454 1.00 0.37 H new ATOM 0 HA GLU A 29 16.528 -3.589 1.063 1.00 0.44 H new ATOM 0 HB2 GLU A 29 18.256 -2.922 3.484 1.00 0.52 H new ATOM 0 HB3 GLU A 29 18.500 -4.257 2.375 1.00 0.52 H new ATOM 0 HG2 GLU A 29 18.748 -1.300 1.739 1.00 0.55 H new ATOM 0 HG3 GLU A 29 20.057 -2.459 1.866 1.00 0.55 H new ATOM 459 N MET A 30 15.271 -3.411 4.030 1.00 0.41 N ATOM 460 CA MET A 30 14.482 -4.109 5.030 1.00 0.43 C ATOM 461 C MET A 30 13.068 -4.393 4.528 1.00 0.40 C ATOM 462 O MET A 30 12.402 -5.298 5.020 1.00 0.41 O ATOM 463 CB MET A 30 14.431 -3.284 6.317 1.00 0.45 C ATOM 464 CG MET A 30 13.877 -4.033 7.515 1.00 0.46 C ATOM 465 SD MET A 30 14.819 -5.512 7.923 1.00 0.63 S ATOM 466 CE MET A 30 13.654 -6.787 7.443 1.00 0.97 C ATOM 0 H MET A 30 15.325 -2.402 4.167 1.00 0.41 H new ATOM 0 HA MET A 30 14.960 -5.067 5.232 1.00 0.43 H new ATOM 0 HB2 MET A 30 15.437 -2.937 6.553 1.00 0.45 H new ATOM 0 HB3 MET A 30 13.821 -2.398 6.143 1.00 0.45 H new ATOM 0 HG2 MET A 30 13.866 -3.367 8.378 1.00 0.46 H new ATOM 0 HG3 MET A 30 12.843 -4.312 7.314 1.00 0.46 H new ATOM 0 HE1 MET A 30 13.880 -7.708 7.981 1.00 0.97 H new ATOM 0 HE2 MET A 30 12.641 -6.464 7.685 1.00 0.97 H new ATOM 0 HE3 MET A 30 13.731 -6.965 6.370 1.00 0.97 H new ATOM 476 N GLY A 31 12.606 -3.623 3.553 1.00 0.39 N ATOM 477 CA GLY A 31 11.268 -3.833 3.038 1.00 0.39 C ATOM 478 C GLY A 31 11.242 -4.287 1.591 1.00 0.43 C ATOM 479 O GLY A 31 10.213 -4.172 0.925 1.00 0.51 O ATOM 0 H GLY A 31 13.127 -2.864 3.113 1.00 0.39 H new ATOM 0 HA2 GLY A 31 10.763 -4.577 3.653 1.00 0.39 H new ATOM 0 HA3 GLY A 31 10.702 -2.906 3.130 1.00 0.39 H new ATOM 483 N ARG A 32 12.354 -4.817 1.100 1.00 0.43 N ATOM 484 CA ARG A 32 12.420 -5.273 -0.286 1.00 0.50 C ATOM 485 C ARG A 32 12.429 -6.797 -0.357 1.00 0.44 C ATOM 486 O ARG A 32 13.175 -7.457 0.370 1.00 0.49 O ATOM 487 CB ARG A 32 13.646 -4.696 -1.007 1.00 0.60 C ATOM 488 CG ARG A 32 14.975 -5.203 -0.476 1.00 0.78 C ATOM 489 CD ARG A 32 16.086 -5.070 -1.509 1.00 0.71 C ATOM 490 NE ARG A 32 16.357 -3.681 -1.879 1.00 1.31 N ATOM 491 CZ ARG A 32 16.323 -3.223 -3.129 1.00 1.49 C ATOM 492 NH1 ARG A 32 16.019 -4.032 -4.137 1.00 1.65 N ATOM 493 NH2 ARG A 32 16.614 -1.954 -3.379 1.00 2.27 N ATOM 0 H ARG A 32 13.215 -4.942 1.632 1.00 0.43 H new ATOM 0 HA ARG A 32 11.528 -4.908 -0.794 1.00 0.50 H new ATOM 0 HB2 ARG A 32 13.576 -4.936 -2.068 1.00 0.60 H new ATOM 0 HB3 ARG A 32 13.625 -3.609 -0.924 1.00 0.60 H new ATOM 0 HG2 ARG A 32 15.244 -4.645 0.421 1.00 0.78 H new ATOM 0 HG3 ARG A 32 14.874 -6.248 -0.183 1.00 0.78 H new ATOM 0 HD2 ARG A 32 16.997 -5.520 -1.115 1.00 0.71 H new ATOM 0 HD3 ARG A 32 15.814 -5.632 -2.402 1.00 0.71 H new ATOM 0 HE ARG A 32 16.586 -3.023 -1.134 1.00 1.31 H new ATOM 0 HH11 ARG A 32 15.809 -5.014 -3.957 1.00 1.65 H new ATOM 0 HH12 ARG A 32 15.996 -3.672 -5.091 1.00 1.65 H new ATOM 0 HH21 ARG A 32 16.864 -1.328 -2.614 1.00 2.27 H new ATOM 0 HH22 ARG A 32 16.588 -1.604 -4.337 1.00 2.27 H new ATOM 507 N ASN A 33 11.567 -7.342 -1.222 1.00 0.53 N ATOM 508 CA ASN A 33 11.444 -8.794 -1.429 1.00 0.67 C ATOM 509 C ASN A 33 10.905 -9.500 -0.186 1.00 0.59 C ATOM 510 O ASN A 33 10.880 -10.728 -0.120 1.00 0.69 O ATOM 511 CB ASN A 33 12.794 -9.403 -1.830 1.00 0.80 C ATOM 512 CG ASN A 33 12.964 -9.555 -3.332 1.00 1.23 C ATOM 513 OD1 ASN A 33 13.584 -10.509 -3.801 1.00 1.72 O ATOM 514 ND2 ASN A 33 12.430 -8.614 -4.093 1.00 1.78 N ATOM 0 H ASN A 33 10.933 -6.791 -1.800 1.00 0.53 H new ATOM 0 HA ASN A 33 10.730 -8.943 -2.239 1.00 0.67 H new ATOM 0 HB2 ASN A 33 13.597 -8.776 -1.442 1.00 0.80 H new ATOM 0 HB3 ASN A 33 12.898 -10.381 -1.359 1.00 0.80 H new ATOM 0 HD21 ASN A 33 12.525 -8.664 -5.107 1.00 1.78 H new ATOM 0 HD22 ASN A 33 11.923 -7.839 -3.665 1.00 1.78 H new ATOM 521 N CYS A 34 10.457 -8.718 0.785 1.00 0.47 N ATOM 522 CA CYS A 34 9.926 -9.266 2.021 1.00 0.41 C ATOM 523 C CYS A 34 8.467 -9.675 1.835 1.00 0.41 C ATOM 524 O CYS A 34 7.790 -9.187 0.929 1.00 0.48 O ATOM 525 CB CYS A 34 10.063 -8.236 3.147 1.00 0.38 C ATOM 526 SG CYS A 34 11.637 -7.348 3.122 1.00 1.16 S ATOM 0 H CYS A 34 10.451 -7.699 0.739 1.00 0.47 H new ATOM 0 HA CYS A 34 10.496 -10.155 2.292 1.00 0.41 H new ATOM 0 HB2 CYS A 34 9.248 -7.517 3.072 1.00 0.38 H new ATOM 0 HB3 CYS A 34 9.955 -8.742 4.107 1.00 0.38 H new ATOM 0 HG CYS A 34 11.696 -6.541 4.139 1.00 1.16 H new ATOM 532 N LYS A 35 7.986 -10.568 2.686 1.00 0.39 N ATOM 533 CA LYS A 35 6.609 -11.035 2.590 1.00 0.42 C ATOM 534 C LYS A 35 5.670 -10.234 3.486 1.00 0.38 C ATOM 535 O LYS A 35 5.577 -10.466 4.691 1.00 0.40 O ATOM 536 CB LYS A 35 6.513 -12.530 2.913 1.00 0.47 C ATOM 537 CG LYS A 35 7.213 -12.941 4.196 1.00 0.48 C ATOM 538 CD LYS A 35 6.944 -14.401 4.514 1.00 1.13 C ATOM 539 CE LYS A 35 7.163 -14.695 5.986 1.00 1.64 C ATOM 540 NZ LYS A 35 6.985 -16.137 6.306 1.00 2.49 N ATOM 0 H LYS A 35 8.524 -10.983 3.447 1.00 0.39 H new ATOM 0 HA LYS A 35 6.291 -10.880 1.559 1.00 0.42 H new ATOM 0 HB2 LYS A 35 5.461 -12.807 2.983 1.00 0.47 H new ATOM 0 HB3 LYS A 35 6.938 -13.096 2.084 1.00 0.47 H new ATOM 0 HG2 LYS A 35 8.286 -12.777 4.098 1.00 0.48 H new ATOM 0 HG3 LYS A 35 6.869 -12.315 5.020 1.00 0.48 H new ATOM 0 HD2 LYS A 35 5.919 -14.652 4.240 1.00 1.13 H new ATOM 0 HD3 LYS A 35 7.599 -15.033 3.914 1.00 1.13 H new ATOM 0 HE2 LYS A 35 8.168 -14.383 6.271 1.00 1.64 H new ATOM 0 HE3 LYS A 35 6.465 -14.104 6.580 1.00 1.64 H new ATOM 0 HZ1 LYS A 35 7.145 -16.289 7.322 1.00 2.49 H new ATOM 0 HZ2 LYS A 35 6.018 -16.431 6.059 1.00 2.49 H new ATOM 0 HZ3 LYS A 35 7.668 -16.701 5.760 1.00 2.49 H new ATOM 554 N ILE A 36 4.993 -9.272 2.885 1.00 0.36 N ATOM 555 CA ILE A 36 4.036 -8.444 3.597 1.00 0.34 C ATOM 556 C ILE A 36 2.622 -8.915 3.280 1.00 0.33 C ATOM 557 O ILE A 36 2.229 -8.981 2.112 1.00 0.41 O ATOM 558 CB ILE A 36 4.173 -6.949 3.226 1.00 0.41 C ATOM 559 CG1 ILE A 36 5.470 -6.357 3.785 1.00 0.65 C ATOM 560 CG2 ILE A 36 2.979 -6.159 3.741 1.00 0.32 C ATOM 561 CD1 ILE A 36 6.697 -6.684 2.965 1.00 0.66 C ATOM 0 H ILE A 36 5.090 -9.043 1.896 1.00 0.36 H new ATOM 0 HA ILE A 36 4.241 -8.543 4.663 1.00 0.34 H new ATOM 0 HB ILE A 36 4.203 -6.879 2.139 1.00 0.41 H new ATOM 0 HG12 ILE A 36 5.366 -5.274 3.848 1.00 0.65 H new ATOM 0 HG13 ILE A 36 5.616 -6.723 4.801 1.00 0.65 H new ATOM 0 HG21 ILE A 36 3.093 -5.109 3.470 1.00 0.32 H new ATOM 0 HG22 ILE A 36 2.064 -6.551 3.296 1.00 0.32 H new ATOM 0 HG23 ILE A 36 2.923 -6.250 4.826 1.00 0.32 H new ATOM 0 HD11 ILE A 36 7.574 -6.229 3.425 1.00 0.66 H new ATOM 0 HD12 ILE A 36 6.829 -7.765 2.923 1.00 0.66 H new ATOM 0 HD13 ILE A 36 6.574 -6.294 1.955 1.00 0.66 H new ATOM 573 N VAL A 37 1.877 -9.254 4.315 1.00 0.29 N ATOM 574 CA VAL A 37 0.512 -9.721 4.145 1.00 0.29 C ATOM 575 C VAL A 37 -0.464 -8.567 4.298 1.00 0.30 C ATOM 576 O VAL A 37 -0.374 -7.801 5.253 1.00 0.37 O ATOM 577 CB VAL A 37 0.151 -10.821 5.166 1.00 0.29 C ATOM 578 CG1 VAL A 37 -1.101 -11.572 4.734 1.00 0.31 C ATOM 579 CG2 VAL A 37 1.314 -11.783 5.370 1.00 0.32 C ATOM 0 H VAL A 37 2.193 -9.215 5.284 1.00 0.29 H new ATOM 0 HA VAL A 37 0.440 -10.141 3.142 1.00 0.29 H new ATOM 0 HB VAL A 37 -0.055 -10.336 6.120 1.00 0.29 H new ATOM 0 HG11 VAL A 37 -1.335 -12.342 5.469 1.00 0.31 H new ATOM 0 HG12 VAL A 37 -1.936 -10.875 4.660 1.00 0.31 H new ATOM 0 HG13 VAL A 37 -0.929 -12.037 3.763 1.00 0.31 H new ATOM 0 HG21 VAL A 37 1.031 -12.547 6.094 1.00 0.32 H new ATOM 0 HG22 VAL A 37 1.565 -12.257 4.421 1.00 0.32 H new ATOM 0 HG23 VAL A 37 2.180 -11.234 5.741 1.00 0.32 H new ATOM 589 N THR A 38 -1.371 -8.438 3.348 1.00 0.25 N ATOM 590 CA THR A 38 -2.379 -7.393 3.369 1.00 0.26 C ATOM 591 C THR A 38 -3.754 -8.004 3.616 1.00 0.24 C ATOM 592 O THR A 38 -4.320 -8.632 2.732 1.00 0.23 O ATOM 593 CB THR A 38 -2.397 -6.623 2.036 1.00 0.27 C ATOM 594 OG1 THR A 38 -1.084 -6.129 1.734 1.00 0.33 O ATOM 595 CG2 THR A 38 -3.390 -5.472 2.084 1.00 0.30 C ATOM 0 H THR A 38 -1.430 -9.056 2.538 1.00 0.25 H new ATOM 0 HA THR A 38 -2.134 -6.699 4.173 1.00 0.26 H new ATOM 0 HB THR A 38 -2.710 -7.310 1.250 1.00 0.27 H new ATOM 0 HG1 THR A 38 -0.580 -6.010 2.566 1.00 0.33 H new ATOM 0 HG21 THR A 38 -3.383 -4.945 1.130 1.00 0.30 H new ATOM 0 HG22 THR A 38 -4.390 -5.862 2.275 1.00 0.30 H new ATOM 0 HG23 THR A 38 -3.110 -4.783 2.881 1.00 0.30 H new ATOM 603 N GLU A 39 -4.286 -7.835 4.814 1.00 0.25 N ATOM 604 CA GLU A 39 -5.592 -8.393 5.142 1.00 0.25 C ATOM 605 C GLU A 39 -6.668 -7.328 5.013 1.00 0.24 C ATOM 606 O GLU A 39 -6.712 -6.376 5.793 1.00 0.28 O ATOM 607 CB GLU A 39 -5.578 -8.994 6.547 1.00 0.28 C ATOM 608 CG GLU A 39 -4.411 -9.938 6.779 1.00 0.38 C ATOM 609 CD GLU A 39 -4.755 -11.084 7.701 1.00 0.66 C ATOM 610 OE1 GLU A 39 -4.613 -10.925 8.932 1.00 1.24 O ATOM 611 OE2 GLU A 39 -5.171 -12.151 7.194 1.00 1.39 O ATOM 0 H GLU A 39 -3.840 -7.320 5.573 1.00 0.25 H new ATOM 0 HA GLU A 39 -5.820 -9.192 4.437 1.00 0.25 H new ATOM 0 HB2 GLU A 39 -5.537 -8.188 7.280 1.00 0.28 H new ATOM 0 HB3 GLU A 39 -6.511 -9.531 6.715 1.00 0.28 H new ATOM 0 HG2 GLU A 39 -4.077 -10.337 5.821 1.00 0.38 H new ATOM 0 HG3 GLU A 39 -3.576 -9.378 7.200 1.00 0.38 H new ATOM 618 N VAL A 40 -7.523 -7.492 4.012 1.00 0.20 N ATOM 619 CA VAL A 40 -8.593 -6.547 3.743 1.00 0.20 C ATOM 620 C VAL A 40 -9.946 -7.084 4.197 1.00 0.21 C ATOM 621 O VAL A 40 -10.335 -8.199 3.839 1.00 0.20 O ATOM 622 CB VAL A 40 -8.684 -6.230 2.235 1.00 0.20 C ATOM 623 CG1 VAL A 40 -9.779 -5.210 1.959 1.00 0.22 C ATOM 624 CG2 VAL A 40 -7.340 -5.751 1.703 1.00 0.22 C ATOM 0 H VAL A 40 -7.493 -8.282 3.367 1.00 0.20 H new ATOM 0 HA VAL A 40 -8.355 -5.643 4.303 1.00 0.20 H new ATOM 0 HB VAL A 40 -8.946 -7.148 1.709 1.00 0.20 H new ATOM 0 HG11 VAL A 40 -9.823 -5.004 0.890 1.00 0.22 H new ATOM 0 HG12 VAL A 40 -10.738 -5.607 2.292 1.00 0.22 H new ATOM 0 HG13 VAL A 40 -9.561 -4.288 2.498 1.00 0.22 H new ATOM 0 HG21 VAL A 40 -7.427 -5.533 0.638 1.00 0.22 H new ATOM 0 HG22 VAL A 40 -7.039 -4.848 2.235 1.00 0.22 H new ATOM 0 HG23 VAL A 40 -6.591 -6.528 1.854 1.00 0.22 H new ATOM 634 N VAL A 41 -10.651 -6.295 4.992 1.00 0.24 N ATOM 635 CA VAL A 41 -11.976 -6.665 5.465 1.00 0.27 C ATOM 636 C VAL A 41 -12.994 -5.679 4.901 1.00 0.29 C ATOM 637 O VAL A 41 -12.798 -4.466 4.981 1.00 0.31 O ATOM 638 CB VAL A 41 -12.059 -6.689 7.007 1.00 0.31 C ATOM 639 CG1 VAL A 41 -13.440 -7.142 7.465 1.00 0.70 C ATOM 640 CG2 VAL A 41 -10.975 -7.590 7.588 1.00 0.95 C ATOM 0 H VAL A 41 -10.325 -5.388 5.325 1.00 0.24 H new ATOM 0 HA VAL A 41 -12.193 -7.676 5.119 1.00 0.27 H new ATOM 0 HB VAL A 41 -11.895 -5.676 7.375 1.00 0.31 H new ATOM 0 HG11 VAL A 41 -13.477 -7.152 8.554 1.00 0.70 H new ATOM 0 HG12 VAL A 41 -14.194 -6.454 7.083 1.00 0.70 H new ATOM 0 HG13 VAL A 41 -13.638 -8.145 7.086 1.00 0.70 H new ATOM 0 HG21 VAL A 41 -11.050 -7.594 8.675 1.00 0.95 H new ATOM 0 HG22 VAL A 41 -11.105 -8.605 7.212 1.00 0.95 H new ATOM 0 HG23 VAL A 41 -9.994 -7.216 7.293 1.00 0.95 H new ATOM 650 N GLN A 42 -14.064 -6.201 4.314 1.00 0.31 N ATOM 651 CA GLN A 42 -15.092 -5.362 3.713 1.00 0.36 C ATOM 652 C GLN A 42 -16.185 -5.001 4.710 1.00 0.30 C ATOM 653 O GLN A 42 -16.833 -5.874 5.289 1.00 0.42 O ATOM 654 CB GLN A 42 -15.711 -6.069 2.502 1.00 0.53 C ATOM 655 CG GLN A 42 -16.756 -5.237 1.775 1.00 1.14 C ATOM 656 CD GLN A 42 -17.309 -5.930 0.545 1.00 1.35 C ATOM 657 OE1 GLN A 42 -17.366 -7.156 0.473 1.00 2.06 O ATOM 658 NE2 GLN A 42 -17.728 -5.148 -0.437 1.00 1.59 N ATOM 0 H GLN A 42 -14.242 -7.203 4.242 1.00 0.31 H new ATOM 0 HA GLN A 42 -14.612 -4.438 3.393 1.00 0.36 H new ATOM 0 HB2 GLN A 42 -14.918 -6.332 1.802 1.00 0.53 H new ATOM 0 HB3 GLN A 42 -16.168 -7.002 2.832 1.00 0.53 H new ATOM 0 HG2 GLN A 42 -17.575 -5.013 2.459 1.00 1.14 H new ATOM 0 HG3 GLN A 42 -16.315 -4.284 1.482 1.00 1.14 H new ATOM 0 HE21 GLN A 42 -17.666 -4.134 -0.343 1.00 1.59 H new ATOM 0 HE22 GLN A 42 -18.113 -5.559 -1.287 1.00 1.59 H new ATOM 667 N ASN A 43 -16.372 -3.704 4.907 1.00 0.30 N ATOM 668 CA ASN A 43 -17.400 -3.193 5.801 1.00 0.37 C ATOM 669 C ASN A 43 -18.135 -2.046 5.110 1.00 0.34 C ATOM 670 O ASN A 43 -17.922 -0.872 5.426 1.00 0.37 O ATOM 671 CB ASN A 43 -16.787 -2.716 7.122 1.00 0.53 C ATOM 672 CG ASN A 43 -17.838 -2.389 8.169 1.00 0.97 C ATOM 673 OD1 ASN A 43 -18.295 -1.249 8.278 1.00 1.44 O ATOM 674 ND2 ASN A 43 -18.232 -3.385 8.946 1.00 1.73 N ATOM 0 H ASN A 43 -15.817 -2.978 4.453 1.00 0.30 H new ATOM 0 HA ASN A 43 -18.104 -3.993 6.031 1.00 0.37 H new ATOM 0 HB2 ASN A 43 -16.122 -3.488 7.509 1.00 0.53 H new ATOM 0 HB3 ASN A 43 -16.177 -1.832 6.937 1.00 0.53 H new ATOM 0 HD21 ASN A 43 -18.937 -3.223 9.665 1.00 1.73 H new ATOM 0 HD22 ASN A 43 -17.831 -4.315 8.826 1.00 1.73 H new ATOM 681 N GLY A 44 -18.981 -2.389 4.145 1.00 0.35 N ATOM 682 CA GLY A 44 -19.715 -1.380 3.408 1.00 0.37 C ATOM 683 C GLY A 44 -18.797 -0.638 2.459 1.00 0.34 C ATOM 684 O GLY A 44 -18.444 -1.145 1.395 1.00 0.40 O ATOM 0 H GLY A 44 -19.171 -3.350 3.860 1.00 0.35 H new ATOM 0 HA2 GLY A 44 -20.524 -1.848 2.848 1.00 0.37 H new ATOM 0 HA3 GLY A 44 -20.174 -0.677 4.103 1.00 0.37 H new ATOM 688 N ASN A 45 -18.400 0.558 2.849 1.00 0.31 N ATOM 689 CA ASN A 45 -17.483 1.357 2.050 1.00 0.29 C ATOM 690 C ASN A 45 -16.219 1.604 2.851 1.00 0.28 C ATOM 691 O ASN A 45 -15.370 2.413 2.481 1.00 0.29 O ATOM 692 CB ASN A 45 -18.118 2.682 1.619 1.00 0.32 C ATOM 693 CG ASN A 45 -18.465 2.693 0.147 1.00 0.38 C ATOM 694 OD1 ASN A 45 -18.352 3.717 -0.525 1.00 0.41 O ATOM 695 ND2 ASN A 45 -18.901 1.551 -0.368 1.00 0.43 N ATOM 0 H ASN A 45 -18.698 1.002 3.718 1.00 0.31 H new ATOM 0 HA ASN A 45 -17.241 0.809 1.140 1.00 0.29 H new ATOM 0 HB2 ASN A 45 -19.020 2.859 2.205 1.00 0.32 H new ATOM 0 HB3 ASN A 45 -17.431 3.500 1.835 1.00 0.32 H new ATOM 0 HD21 ASN A 45 -19.156 1.501 -1.354 1.00 0.43 H new ATOM 0 HD22 ASN A 45 -18.981 0.723 0.222 1.00 0.43 H new ATOM 702 N ASP A 46 -16.112 0.885 3.960 1.00 0.30 N ATOM 703 CA ASP A 46 -14.966 0.986 4.847 1.00 0.29 C ATOM 704 C ASP A 46 -14.091 -0.252 4.699 1.00 0.28 C ATOM 705 O ASP A 46 -14.505 -1.360 5.043 1.00 0.36 O ATOM 706 CB ASP A 46 -15.440 1.132 6.298 1.00 0.33 C ATOM 707 CG ASP A 46 -14.299 1.307 7.280 1.00 0.61 C ATOM 708 OD1 ASP A 46 -13.548 2.293 7.152 1.00 1.29 O ATOM 709 OD2 ASP A 46 -14.175 0.482 8.209 1.00 1.36 O ATOM 0 H ASP A 46 -16.818 0.216 4.268 1.00 0.30 H new ATOM 0 HA ASP A 46 -14.381 1.866 4.580 1.00 0.29 H new ATOM 0 HB2 ASP A 46 -16.109 1.989 6.371 1.00 0.33 H new ATOM 0 HB3 ASP A 46 -16.019 0.251 6.576 1.00 0.33 H new ATOM 714 N PHE A 47 -12.902 -0.070 4.144 1.00 0.23 N ATOM 715 CA PHE A 47 -11.966 -1.166 3.952 1.00 0.23 C ATOM 716 C PHE A 47 -10.765 -1.003 4.867 1.00 0.23 C ATOM 717 O PHE A 47 -10.223 0.095 5.016 1.00 0.24 O ATOM 718 CB PHE A 47 -11.511 -1.223 2.494 1.00 0.25 C ATOM 719 CG PHE A 47 -12.620 -1.575 1.544 1.00 0.26 C ATOM 720 CD1 PHE A 47 -12.906 -2.901 1.263 1.00 0.97 C ATOM 721 CD2 PHE A 47 -13.379 -0.585 0.935 1.00 0.81 C ATOM 722 CE1 PHE A 47 -13.925 -3.235 0.394 1.00 1.00 C ATOM 723 CE2 PHE A 47 -14.399 -0.916 0.065 1.00 0.82 C ATOM 724 CZ PHE A 47 -14.672 -2.242 -0.208 1.00 0.34 C ATOM 0 H PHE A 47 -12.561 0.834 3.817 1.00 0.23 H new ATOM 0 HA PHE A 47 -12.470 -2.100 4.201 1.00 0.23 H new ATOM 0 HB2 PHE A 47 -11.092 -0.257 2.212 1.00 0.25 H new ATOM 0 HB3 PHE A 47 -10.711 -1.957 2.398 1.00 0.25 H new ATOM 0 HD1 PHE A 47 -12.325 -3.683 1.729 1.00 0.97 H new ATOM 0 HD2 PHE A 47 -13.170 0.454 1.144 1.00 0.81 H new ATOM 0 HE1 PHE A 47 -14.138 -4.273 0.185 1.00 1.00 H new ATOM 0 HE2 PHE A 47 -14.984 -0.137 -0.402 1.00 0.82 H new ATOM 0 HZ PHE A 47 -15.468 -2.502 -0.891 1.00 0.34 H new ATOM 734 N THR A 48 -10.360 -2.093 5.497 1.00 0.26 N ATOM 735 CA THR A 48 -9.224 -2.069 6.390 1.00 0.27 C ATOM 736 C THR A 48 -7.988 -2.658 5.719 1.00 0.28 C ATOM 737 O THR A 48 -8.008 -3.792 5.247 1.00 0.38 O ATOM 738 CB THR A 48 -9.522 -2.844 7.688 1.00 0.29 C ATOM 739 OG1 THR A 48 -10.354 -3.985 7.412 1.00 0.53 O ATOM 740 CG2 THR A 48 -10.207 -1.945 8.704 1.00 0.56 C ATOM 0 H THR A 48 -10.805 -3.006 5.403 1.00 0.26 H new ATOM 0 HA THR A 48 -9.030 -1.026 6.638 1.00 0.27 H new ATOM 0 HB THR A 48 -8.574 -3.186 8.103 1.00 0.29 H new ATOM 0 HG1 THR A 48 -10.051 -4.748 7.948 1.00 0.53 H new ATOM 0 HG21 THR A 48 -10.409 -2.511 9.613 1.00 0.56 H new ATOM 0 HG22 THR A 48 -9.558 -1.101 8.939 1.00 0.56 H new ATOM 0 HG23 THR A 48 -11.146 -1.577 8.290 1.00 0.56 H new ATOM 748 N TRP A 49 -6.925 -1.870 5.661 1.00 0.23 N ATOM 749 CA TRP A 49 -5.677 -2.316 5.065 1.00 0.23 C ATOM 750 C TRP A 49 -4.727 -2.747 6.168 1.00 0.23 C ATOM 751 O TRP A 49 -4.159 -1.912 6.876 1.00 0.24 O ATOM 752 CB TRP A 49 -5.051 -1.200 4.221 1.00 0.25 C ATOM 753 CG TRP A 49 -4.871 -1.573 2.778 1.00 0.28 C ATOM 754 CD1 TRP A 49 -3.688 -1.655 2.099 1.00 0.34 C ATOM 755 CD2 TRP A 49 -5.898 -1.905 1.834 1.00 0.30 C ATOM 756 NE1 TRP A 49 -3.917 -2.029 0.797 1.00 0.38 N ATOM 757 CE2 TRP A 49 -5.263 -2.184 0.609 1.00 0.36 C ATOM 758 CE3 TRP A 49 -7.292 -1.997 1.903 1.00 0.32 C ATOM 759 CZ2 TRP A 49 -5.971 -2.548 -0.533 1.00 0.41 C ATOM 760 CZ3 TRP A 49 -7.992 -2.356 0.767 1.00 0.38 C ATOM 761 CH2 TRP A 49 -7.331 -2.626 -0.435 1.00 0.42 C ATOM 0 H TRP A 49 -6.903 -0.916 6.021 1.00 0.23 H new ATOM 0 HA TRP A 49 -5.874 -3.161 4.406 1.00 0.23 H new ATOM 0 HB2 TRP A 49 -5.679 -0.312 4.283 1.00 0.25 H new ATOM 0 HB3 TRP A 49 -4.082 -0.935 4.644 1.00 0.25 H new ATOM 0 HD1 TRP A 49 -2.715 -1.455 2.524 1.00 0.34 H new ATOM 0 HE1 TRP A 49 -3.199 -2.169 0.086 1.00 0.38 H new ATOM 0 HE3 TRP A 49 -7.812 -1.791 2.827 1.00 0.32 H new ATOM 0 HZ2 TRP A 49 -5.464 -2.761 -1.462 1.00 0.41 H new ATOM 0 HZ3 TRP A 49 -9.069 -2.429 0.808 1.00 0.38 H new ATOM 0 HH2 TRP A 49 -7.908 -2.902 -1.305 1.00 0.42 H new ATOM 772 N THR A 50 -4.593 -4.049 6.341 1.00 0.22 N ATOM 773 CA THR A 50 -3.728 -4.586 7.373 1.00 0.24 C ATOM 774 C THR A 50 -2.452 -5.152 6.777 1.00 0.25 C ATOM 775 O THR A 50 -2.481 -6.178 6.108 1.00 0.35 O ATOM 776 CB THR A 50 -4.434 -5.692 8.165 1.00 0.26 C ATOM 777 OG1 THR A 50 -5.799 -5.320 8.410 1.00 0.27 O ATOM 778 CG2 THR A 50 -3.713 -5.939 9.481 1.00 0.28 C ATOM 0 H THR A 50 -5.072 -4.753 5.780 1.00 0.22 H new ATOM 0 HA THR A 50 -3.481 -3.762 8.042 1.00 0.24 H new ATOM 0 HB THR A 50 -4.416 -6.612 7.581 1.00 0.26 H new ATOM 0 HG1 THR A 50 -6.351 -5.575 7.641 1.00 0.27 H new ATOM 0 HG21 THR A 50 -4.225 -6.727 10.034 1.00 0.28 H new ATOM 0 HG22 THR A 50 -2.686 -6.244 9.281 1.00 0.28 H new ATOM 0 HG23 THR A 50 -3.711 -5.023 10.072 1.00 0.28 H new ATOM 786 N GLN A 51 -1.341 -4.476 7.020 1.00 0.22 N ATOM 787 CA GLN A 51 -0.053 -4.918 6.513 1.00 0.23 C ATOM 788 C GLN A 51 0.742 -5.611 7.608 1.00 0.22 C ATOM 789 O GLN A 51 1.095 -4.998 8.616 1.00 0.24 O ATOM 790 CB GLN A 51 0.754 -3.734 5.983 1.00 0.27 C ATOM 791 CG GLN A 51 0.618 -3.510 4.488 1.00 0.56 C ATOM 792 CD GLN A 51 -0.747 -2.993 4.093 1.00 0.71 C ATOM 793 OE1 GLN A 51 -1.381 -2.244 4.832 1.00 1.62 O ATOM 794 NE2 GLN A 51 -1.214 -3.405 2.930 1.00 0.82 N ATOM 0 H GLN A 51 -1.306 -3.616 7.567 1.00 0.22 H new ATOM 0 HA GLN A 51 -0.238 -5.620 5.700 1.00 0.23 H new ATOM 0 HB2 GLN A 51 0.439 -2.831 6.505 1.00 0.27 H new ATOM 0 HB3 GLN A 51 1.806 -3.889 6.222 1.00 0.27 H new ATOM 0 HG2 GLN A 51 1.378 -2.801 4.161 1.00 0.56 H new ATOM 0 HG3 GLN A 51 0.811 -4.447 3.966 1.00 0.56 H new ATOM 0 HE21 GLN A 51 -0.654 -4.027 2.347 1.00 0.82 H new ATOM 0 HE22 GLN A 51 -2.135 -3.101 2.614 1.00 0.82 H new ATOM 803 N HIS A 52 1.049 -6.874 7.388 1.00 0.22 N ATOM 804 CA HIS A 52 1.806 -7.656 8.351 1.00 0.23 C ATOM 805 C HIS A 52 3.249 -7.776 7.923 1.00 0.23 C ATOM 806 O HIS A 52 3.542 -8.212 6.810 1.00 0.26 O ATOM 807 CB HIS A 52 1.201 -9.053 8.506 1.00 0.24 C ATOM 808 CG HIS A 52 -0.157 -9.066 9.132 1.00 0.26 C ATOM 809 ND1 HIS A 52 -0.357 -8.615 10.411 1.00 0.34 N ATOM 810 CD2 HIS A 52 -1.333 -9.509 8.626 1.00 0.32 C ATOM 811 CE1 HIS A 52 -1.643 -8.795 10.659 1.00 0.37 C ATOM 812 NE2 HIS A 52 -2.275 -9.336 9.606 1.00 0.35 N ATOM 0 H HIS A 52 0.785 -7.385 6.546 1.00 0.22 H new ATOM 0 HA HIS A 52 1.761 -7.140 9.310 1.00 0.23 H new ATOM 0 HB2 HIS A 52 1.141 -9.522 7.524 1.00 0.24 H new ATOM 0 HB3 HIS A 52 1.873 -9.663 9.110 1.00 0.24 H new ATOM 0 HD2 HIS A 52 -1.497 -9.919 7.640 1.00 0.32 H new ATOM 0 HE1 HIS A 52 -2.124 -8.539 11.591 1.00 0.37 H new ATOM 0 HE2 HIS A 52 -3.265 -9.573 9.547 1.00 0.35 H new ATOM 820 N PHE A 53 4.148 -7.372 8.802 1.00 0.25 N ATOM 821 CA PHE A 53 5.558 -7.461 8.508 1.00 0.27 C ATOM 822 C PHE A 53 6.153 -8.655 9.229 1.00 0.31 C ATOM 823 O PHE A 53 5.884 -8.861 10.414 1.00 0.34 O ATOM 824 CB PHE A 53 6.294 -6.188 8.919 1.00 0.24 C ATOM 825 CG PHE A 53 7.551 -5.980 8.146 1.00 0.26 C ATOM 826 CD1 PHE A 53 7.509 -5.866 6.773 1.00 1.13 C ATOM 827 CD2 PHE A 53 8.767 -5.905 8.789 1.00 1.20 C ATOM 828 CE1 PHE A 53 8.668 -5.680 6.048 1.00 1.13 C ATOM 829 CE2 PHE A 53 9.930 -5.719 8.076 1.00 1.23 C ATOM 830 CZ PHE A 53 9.881 -5.606 6.702 1.00 0.34 C ATOM 0 H PHE A 53 3.925 -6.982 9.718 1.00 0.25 H new ATOM 0 HA PHE A 53 5.675 -7.584 7.431 1.00 0.27 H new ATOM 0 HB2 PHE A 53 5.637 -5.330 8.776 1.00 0.24 H new ATOM 0 HB3 PHE A 53 6.529 -6.235 9.982 1.00 0.24 H new ATOM 0 HD1 PHE A 53 6.560 -5.923 6.260 1.00 1.13 H new ATOM 0 HD2 PHE A 53 8.808 -5.993 9.865 1.00 1.20 H new ATOM 0 HE1 PHE A 53 8.626 -5.593 4.972 1.00 1.13 H new ATOM 0 HE2 PHE A 53 10.878 -5.662 8.591 1.00 1.23 H new ATOM 0 HZ PHE A 53 10.791 -5.460 6.139 1.00 0.34 H new ATOM 840 N PRO A 54 6.955 -9.467 8.530 1.00 0.35 N ATOM 841 CA PRO A 54 7.576 -10.641 9.132 1.00 0.41 C ATOM 842 C PRO A 54 8.651 -10.247 10.138 1.00 0.39 C ATOM 843 O PRO A 54 9.683 -9.681 9.770 1.00 0.37 O ATOM 844 CB PRO A 54 8.195 -11.364 7.930 1.00 0.46 C ATOM 845 CG PRO A 54 8.419 -10.307 6.908 1.00 0.45 C ATOM 846 CD PRO A 54 7.333 -9.290 7.115 1.00 0.39 C ATOM 0 HA PRO A 54 6.868 -11.255 9.688 1.00 0.41 H new ATOM 0 HB2 PRO A 54 9.131 -11.851 8.203 1.00 0.46 H new ATOM 0 HB3 PRO A 54 7.530 -12.141 7.553 1.00 0.46 H new ATOM 0 HG2 PRO A 54 9.404 -9.855 7.025 1.00 0.45 H new ATOM 0 HG3 PRO A 54 8.377 -10.723 5.901 1.00 0.45 H new ATOM 0 HD2 PRO A 54 7.689 -8.279 6.919 1.00 0.39 H new ATOM 0 HD3 PRO A 54 6.488 -9.465 6.450 1.00 0.39 H new ATOM 854 N GLY A 55 8.402 -10.546 11.406 1.00 0.43 N ATOM 855 CA GLY A 55 9.353 -10.226 12.457 1.00 0.46 C ATOM 856 C GLY A 55 9.536 -8.730 12.676 1.00 0.41 C ATOM 857 O GLY A 55 10.604 -8.295 13.104 1.00 0.43 O ATOM 0 H GLY A 55 7.552 -11.008 11.729 1.00 0.43 H new ATOM 0 HA2 GLY A 55 9.020 -10.683 13.389 1.00 0.46 H new ATOM 0 HA3 GLY A 55 10.318 -10.670 12.211 1.00 0.46 H new ATOM 861 N GLY A 56 8.504 -7.941 12.392 1.00 0.37 N ATOM 862 CA GLY A 56 8.602 -6.502 12.575 1.00 0.34 C ATOM 863 C GLY A 56 7.286 -5.871 12.980 1.00 0.35 C ATOM 864 O GLY A 56 6.344 -6.570 13.358 1.00 0.41 O ATOM 0 H GLY A 56 7.605 -8.270 12.040 1.00 0.37 H new ATOM 0 HA2 GLY A 56 9.352 -6.287 13.336 1.00 0.34 H new ATOM 0 HA3 GLY A 56 8.949 -6.045 11.648 1.00 0.34 H new ATOM 868 N ARG A 57 7.220 -4.549 12.887 1.00 0.34 N ATOM 869 CA ARG A 57 6.021 -3.807 13.249 1.00 0.38 C ATOM 870 C ARG A 57 4.921 -4.005 12.221 1.00 0.31 C ATOM 871 O ARG A 57 5.188 -4.211 11.041 1.00 0.28 O ATOM 872 CB ARG A 57 6.326 -2.305 13.420 1.00 0.45 C ATOM 873 CG ARG A 57 7.164 -1.675 12.309 1.00 0.43 C ATOM 874 CD ARG A 57 6.381 -1.433 11.027 1.00 0.53 C ATOM 875 NE ARG A 57 7.187 -1.759 9.858 1.00 1.58 N ATOM 876 CZ ARG A 57 6.723 -2.402 8.791 1.00 2.33 C ATOM 877 NH1 ARG A 57 5.439 -2.725 8.701 1.00 2.27 N ATOM 878 NH2 ARG A 57 7.548 -2.726 7.810 1.00 3.34 N ATOM 0 H ARG A 57 7.990 -3.965 12.561 1.00 0.34 H new ATOM 0 HA ARG A 57 5.673 -4.199 14.205 1.00 0.38 H new ATOM 0 HB2 ARG A 57 5.381 -1.766 13.489 1.00 0.45 H new ATOM 0 HB3 ARG A 57 6.845 -2.163 14.368 1.00 0.45 H new ATOM 0 HG2 ARG A 57 7.570 -0.727 12.663 1.00 0.43 H new ATOM 0 HG3 ARG A 57 8.012 -2.324 12.091 1.00 0.43 H new ATOM 0 HD2 ARG A 57 5.475 -2.039 11.030 1.00 0.53 H new ATOM 0 HD3 ARG A 57 6.067 -0.390 10.979 1.00 0.53 H new ATOM 0 HE ARG A 57 8.167 -1.477 9.858 1.00 1.58 H new ATOM 0 HH11 ARG A 57 4.797 -2.480 9.455 1.00 2.27 H new ATOM 0 HH12 ARG A 57 5.094 -3.218 7.878 1.00 2.27 H new ATOM 0 HH21 ARG A 57 8.536 -2.483 7.874 1.00 3.34 H new ATOM 0 HH22 ARG A 57 7.196 -3.219 6.990 1.00 3.34 H new ATOM 892 N THR A 58 3.688 -3.976 12.679 1.00 0.36 N ATOM 893 CA THR A 58 2.553 -4.121 11.794 1.00 0.31 C ATOM 894 C THR A 58 2.000 -2.744 11.452 1.00 0.28 C ATOM 895 O THR A 58 2.215 -1.778 12.190 1.00 0.33 O ATOM 896 CB THR A 58 1.455 -5.004 12.421 1.00 0.35 C ATOM 897 OG1 THR A 58 0.449 -5.310 11.450 1.00 0.34 O ATOM 898 CG2 THR A 58 0.811 -4.335 13.626 1.00 0.39 C ATOM 0 H THR A 58 3.446 -3.853 13.662 1.00 0.36 H new ATOM 0 HA THR A 58 2.887 -4.617 10.883 1.00 0.31 H new ATOM 0 HB THR A 58 1.932 -5.924 12.758 1.00 0.35 H new ATOM 0 HG1 THR A 58 0.816 -5.189 10.549 1.00 0.34 H new ATOM 0 HG21 THR A 58 0.043 -4.990 14.038 1.00 0.39 H new ATOM 0 HG22 THR A 58 1.570 -4.143 14.384 1.00 0.39 H new ATOM 0 HG23 THR A 58 0.358 -3.392 13.320 1.00 0.39 H new ATOM 906 N THR A 59 1.321 -2.647 10.324 1.00 0.25 N ATOM 907 CA THR A 59 0.750 -1.388 9.882 1.00 0.27 C ATOM 908 C THR A 59 -0.692 -1.604 9.442 1.00 0.24 C ATOM 909 O THR A 59 -0.951 -2.224 8.417 1.00 0.36 O ATOM 910 CB THR A 59 1.578 -0.784 8.732 1.00 0.32 C ATOM 911 OG1 THR A 59 2.978 -0.941 9.012 1.00 0.49 O ATOM 912 CG2 THR A 59 1.258 0.695 8.558 1.00 0.48 C ATOM 0 H THR A 59 1.151 -3.431 9.694 1.00 0.25 H new ATOM 0 HA THR A 59 0.768 -0.685 10.715 1.00 0.27 H new ATOM 0 HB THR A 59 1.325 -1.307 7.810 1.00 0.32 H new ATOM 0 HG1 THR A 59 3.434 -0.081 8.894 1.00 0.49 H new ATOM 0 HG21 THR A 59 1.853 1.102 7.741 1.00 0.48 H new ATOM 0 HG22 THR A 59 0.199 0.814 8.330 1.00 0.48 H new ATOM 0 HG23 THR A 59 1.493 1.229 9.479 1.00 0.48 H new ATOM 920 N THR A 60 -1.625 -1.120 10.240 1.00 0.26 N ATOM 921 CA THR A 60 -3.035 -1.285 9.941 1.00 0.23 C ATOM 922 C THR A 60 -3.748 0.060 9.852 1.00 0.22 C ATOM 923 O THR A 60 -3.750 0.839 10.805 1.00 0.26 O ATOM 924 CB THR A 60 -3.705 -2.153 11.018 1.00 0.25 C ATOM 925 OG1 THR A 60 -2.846 -3.249 11.360 1.00 0.31 O ATOM 926 CG2 THR A 60 -5.044 -2.683 10.534 1.00 0.24 C ATOM 0 H THR A 60 -1.432 -0.609 11.101 1.00 0.26 H new ATOM 0 HA THR A 60 -3.113 -1.777 8.972 1.00 0.23 H new ATOM 0 HB THR A 60 -3.878 -1.534 11.899 1.00 0.25 H new ATOM 0 HG1 THR A 60 -3.276 -3.799 12.048 1.00 0.31 H new ATOM 0 HG21 THR A 60 -5.497 -3.294 11.315 1.00 0.24 H new ATOM 0 HG22 THR A 60 -5.703 -1.847 10.299 1.00 0.24 H new ATOM 0 HG23 THR A 60 -4.894 -3.289 9.640 1.00 0.24 H new ATOM 934 N ASN A 61 -4.333 0.339 8.698 1.00 0.25 N ATOM 935 CA ASN A 61 -5.063 1.587 8.499 1.00 0.26 C ATOM 936 C ASN A 61 -6.478 1.297 8.033 1.00 0.29 C ATOM 937 O ASN A 61 -6.691 0.501 7.118 1.00 0.51 O ATOM 938 CB ASN A 61 -4.374 2.503 7.473 1.00 0.36 C ATOM 939 CG ASN A 61 -3.008 3.013 7.906 1.00 0.87 C ATOM 940 OD1 ASN A 61 -2.191 3.392 7.070 1.00 1.43 O ATOM 941 ND2 ASN A 61 -2.750 3.043 9.204 1.00 1.72 N ATOM 0 H ASN A 61 -4.318 -0.278 7.886 1.00 0.25 H new ATOM 0 HA ASN A 61 -5.081 2.103 9.459 1.00 0.26 H new ATOM 0 HB2 ASN A 61 -4.265 1.960 6.534 1.00 0.36 H new ATOM 0 HB3 ASN A 61 -5.021 3.357 7.274 1.00 0.36 H new ATOM 0 HD21 ASN A 61 -1.850 3.389 9.537 1.00 1.72 H new ATOM 0 HD22 ASN A 61 -3.451 2.721 9.871 1.00 1.72 H new ATOM 948 N SER A 62 -7.440 1.937 8.667 1.00 0.21 N ATOM 949 CA SER A 62 -8.833 1.758 8.313 1.00 0.25 C ATOM 950 C SER A 62 -9.337 3.006 7.601 1.00 0.23 C ATOM 951 O SER A 62 -9.253 4.106 8.150 1.00 0.29 O ATOM 952 CB SER A 62 -9.645 1.483 9.576 1.00 0.34 C ATOM 953 OG SER A 62 -9.538 2.555 10.497 1.00 1.04 O ATOM 0 H SER A 62 -7.281 2.590 9.435 1.00 0.21 H new ATOM 0 HA SER A 62 -8.943 0.908 7.640 1.00 0.25 H new ATOM 0 HB2 SER A 62 -10.691 1.329 9.313 1.00 0.34 H new ATOM 0 HB3 SER A 62 -9.295 0.562 10.043 1.00 0.34 H new ATOM 0 HG SER A 62 -9.442 3.398 10.007 1.00 1.04 H new ATOM 959 N PHE A 63 -9.856 2.847 6.389 1.00 0.18 N ATOM 960 CA PHE A 63 -10.322 3.996 5.625 1.00 0.17 C ATOM 961 C PHE A 63 -11.676 3.751 4.982 1.00 0.18 C ATOM 962 O PHE A 63 -11.988 2.645 4.536 1.00 0.24 O ATOM 963 CB PHE A 63 -9.298 4.372 4.545 1.00 0.17 C ATOM 964 CG PHE A 63 -9.049 3.291 3.530 1.00 0.18 C ATOM 965 CD1 PHE A 63 -8.087 2.319 3.755 1.00 0.86 C ATOM 966 CD2 PHE A 63 -9.777 3.249 2.354 1.00 0.88 C ATOM 967 CE1 PHE A 63 -7.858 1.326 2.822 1.00 0.88 C ATOM 968 CE2 PHE A 63 -9.553 2.261 1.418 1.00 0.88 C ATOM 969 CZ PHE A 63 -8.592 1.298 1.651 1.00 0.23 C ATOM 0 H PHE A 63 -9.964 1.947 5.920 1.00 0.18 H new ATOM 0 HA PHE A 63 -10.434 4.821 6.329 1.00 0.17 H new ATOM 0 HB2 PHE A 63 -9.643 5.267 4.028 1.00 0.17 H new ATOM 0 HB3 PHE A 63 -8.354 4.626 5.028 1.00 0.17 H new ATOM 0 HD1 PHE A 63 -7.511 2.338 4.668 1.00 0.86 H new ATOM 0 HD2 PHE A 63 -10.530 4.000 2.167 1.00 0.88 H new ATOM 0 HE1 PHE A 63 -7.107 0.573 3.007 1.00 0.88 H new ATOM 0 HE2 PHE A 63 -10.129 2.241 0.504 1.00 0.88 H new ATOM 0 HZ PHE A 63 -8.414 0.524 0.919 1.00 0.23 H new ATOM 979 N THR A 64 -12.472 4.804 4.929 1.00 0.17 N ATOM 980 CA THR A 64 -13.781 4.739 4.321 1.00 0.19 C ATOM 981 C THR A 64 -13.790 5.566 3.039 1.00 0.18 C ATOM 982 O THR A 64 -13.272 6.683 3.018 1.00 0.19 O ATOM 983 CB THR A 64 -14.864 5.250 5.296 1.00 0.21 C ATOM 984 OG1 THR A 64 -15.018 4.334 6.390 1.00 0.25 O ATOM 985 CG2 THR A 64 -16.202 5.447 4.596 1.00 0.22 C ATOM 0 H THR A 64 -12.228 5.720 5.304 1.00 0.17 H new ATOM 0 HA THR A 64 -14.006 3.700 4.081 1.00 0.19 H new ATOM 0 HB THR A 64 -14.536 6.218 5.675 1.00 0.21 H new ATOM 0 HG1 THR A 64 -14.234 3.747 6.438 1.00 0.25 H new ATOM 0 HG21 THR A 64 -16.939 5.807 5.314 1.00 0.22 H new ATOM 0 HG22 THR A 64 -16.089 6.177 3.795 1.00 0.22 H new ATOM 0 HG23 THR A 64 -16.537 4.498 4.178 1.00 0.22 H new ATOM 993 N ILE A 65 -14.332 5.004 1.966 1.00 0.18 N ATOM 994 CA ILE A 65 -14.402 5.713 0.697 1.00 0.18 C ATOM 995 C ILE A 65 -15.169 7.031 0.847 1.00 0.21 C ATOM 996 O ILE A 65 -16.266 7.059 1.406 1.00 0.24 O ATOM 997 CB ILE A 65 -15.063 4.856 -0.399 1.00 0.20 C ATOM 998 CG1 ILE A 65 -14.322 3.523 -0.560 1.00 0.21 C ATOM 999 CG2 ILE A 65 -15.099 5.613 -1.721 1.00 0.22 C ATOM 1000 CD1 ILE A 65 -12.860 3.673 -0.928 1.00 0.19 C ATOM 0 H ILE A 65 -14.727 4.064 1.950 1.00 0.18 H new ATOM 0 HA ILE A 65 -13.376 5.926 0.396 1.00 0.18 H new ATOM 0 HB ILE A 65 -16.089 4.644 -0.098 1.00 0.20 H new ATOM 0 HG12 ILE A 65 -14.396 2.963 0.372 1.00 0.21 H new ATOM 0 HG13 ILE A 65 -14.821 2.932 -1.328 1.00 0.21 H new ATOM 0 HG21 ILE A 65 -15.569 4.992 -2.483 1.00 0.22 H new ATOM 0 HG22 ILE A 65 -15.671 6.533 -1.598 1.00 0.22 H new ATOM 0 HG23 ILE A 65 -14.082 5.857 -2.028 1.00 0.22 H new ATOM 0 HD11 ILE A 65 -12.406 2.687 -1.024 1.00 0.19 H new ATOM 0 HD12 ILE A 65 -12.776 4.205 -1.876 1.00 0.19 H new ATOM 0 HD13 ILE A 65 -12.345 4.236 -0.150 1.00 0.19 H new ATOM 1012 N ASP A 66 -14.552 8.109 0.360 1.00 0.20 N ATOM 1013 CA ASP A 66 -15.107 9.469 0.404 1.00 0.23 C ATOM 1014 C ASP A 66 -15.039 10.020 1.825 1.00 0.23 C ATOM 1015 O ASP A 66 -15.736 10.969 2.179 1.00 0.26 O ATOM 1016 CB ASP A 66 -16.548 9.521 -0.121 1.00 0.27 C ATOM 1017 CG ASP A 66 -16.934 10.895 -0.639 1.00 0.35 C ATOM 1018 OD1 ASP A 66 -16.480 11.266 -1.739 1.00 1.04 O ATOM 1019 OD2 ASP A 66 -17.702 11.604 0.049 1.00 1.10 O ATOM 0 H ASP A 66 -13.635 8.064 -0.085 1.00 0.20 H new ATOM 0 HA ASP A 66 -14.500 10.092 -0.253 1.00 0.23 H new ATOM 0 HB2 ASP A 66 -16.666 8.790 -0.921 1.00 0.27 H new ATOM 0 HB3 ASP A 66 -17.232 9.233 0.677 1.00 0.27 H new ATOM 1024 N LYS A 67 -14.176 9.421 2.633 1.00 0.21 N ATOM 1025 CA LYS A 67 -14.000 9.828 4.018 1.00 0.22 C ATOM 1026 C LYS A 67 -12.517 9.874 4.381 1.00 0.21 C ATOM 1027 O LYS A 67 -11.720 9.079 3.876 1.00 0.23 O ATOM 1028 CB LYS A 67 -14.741 8.847 4.937 1.00 0.23 C ATOM 1029 CG LYS A 67 -14.450 9.013 6.420 1.00 0.25 C ATOM 1030 CD LYS A 67 -15.043 10.294 6.988 1.00 0.35 C ATOM 1031 CE LYS A 67 -14.483 10.581 8.369 1.00 1.15 C ATOM 1032 NZ LYS A 67 -15.314 11.565 9.112 1.00 1.59 N ATOM 0 H LYS A 67 -13.581 8.643 2.348 1.00 0.21 H new ATOM 0 HA LYS A 67 -14.413 10.828 4.149 1.00 0.22 H new ATOM 0 HB2 LYS A 67 -15.813 8.962 4.777 1.00 0.23 H new ATOM 0 HB3 LYS A 67 -14.482 7.830 4.643 1.00 0.23 H new ATOM 0 HG2 LYS A 67 -14.851 8.158 6.964 1.00 0.25 H new ATOM 0 HG3 LYS A 67 -13.372 9.014 6.578 1.00 0.25 H new ATOM 0 HD2 LYS A 67 -14.824 11.128 6.321 1.00 0.35 H new ATOM 0 HD3 LYS A 67 -16.128 10.205 7.042 1.00 0.35 H new ATOM 0 HE2 LYS A 67 -14.425 9.653 8.937 1.00 1.15 H new ATOM 0 HE3 LYS A 67 -13.466 10.962 8.276 1.00 1.15 H new ATOM 0 HZ1 LYS A 67 -14.897 11.733 10.050 1.00 1.59 H new ATOM 0 HZ2 LYS A 67 -15.349 12.460 8.583 1.00 1.59 H new ATOM 0 HZ3 LYS A 67 -16.278 11.191 9.224 1.00 1.59 H new ATOM 1046 N GLU A 68 -12.143 10.835 5.221 1.00 0.24 N ATOM 1047 CA GLU A 68 -10.764 10.949 5.674 1.00 0.26 C ATOM 1048 C GLU A 68 -10.445 9.785 6.604 1.00 0.23 C ATOM 1049 O GLU A 68 -11.315 9.311 7.339 1.00 0.34 O ATOM 1050 CB GLU A 68 -10.524 12.281 6.394 1.00 0.34 C ATOM 1051 CG GLU A 68 -11.313 12.426 7.685 1.00 1.35 C ATOM 1052 CD GLU A 68 -10.497 13.005 8.822 1.00 1.92 C ATOM 1053 OE1 GLU A 68 -9.602 12.303 9.342 1.00 2.55 O ATOM 1054 OE2 GLU A 68 -10.765 14.159 9.220 1.00 2.51 O ATOM 0 H GLU A 68 -12.774 11.542 5.599 1.00 0.24 H new ATOM 0 HA GLU A 68 -10.107 10.919 4.805 1.00 0.26 H new ATOM 0 HB2 GLU A 68 -9.461 12.379 6.615 1.00 0.34 H new ATOM 0 HB3 GLU A 68 -10.787 13.099 5.724 1.00 0.34 H new ATOM 0 HG2 GLU A 68 -12.178 13.065 7.505 1.00 1.35 H new ATOM 0 HG3 GLU A 68 -11.695 11.449 7.981 1.00 1.35 H new ATOM 1061 N ALA A 69 -9.212 9.318 6.570 1.00 0.20 N ATOM 1062 CA ALA A 69 -8.810 8.209 7.409 1.00 0.18 C ATOM 1063 C ALA A 69 -7.443 8.438 8.024 1.00 0.21 C ATOM 1064 O ALA A 69 -6.586 9.099 7.434 1.00 0.31 O ATOM 1065 CB ALA A 69 -8.804 6.926 6.601 1.00 0.18 C ATOM 0 H ALA A 69 -8.474 9.689 5.972 1.00 0.20 H new ATOM 0 HA ALA A 69 -9.532 8.127 8.222 1.00 0.18 H new ATOM 0 HB1 ALA A 69 -8.501 6.096 7.239 1.00 0.18 H new ATOM 0 HB2 ALA A 69 -9.804 6.737 6.211 1.00 0.18 H new ATOM 0 HB3 ALA A 69 -8.103 7.022 5.772 1.00 0.18 H new ATOM 1071 N ASP A 70 -7.252 7.882 9.211 1.00 0.20 N ATOM 1072 CA ASP A 70 -5.985 7.992 9.909 1.00 0.24 C ATOM 1073 C ASP A 70 -5.057 6.934 9.353 1.00 0.22 C ATOM 1074 O ASP A 70 -5.332 5.736 9.453 1.00 0.25 O ATOM 1075 CB ASP A 70 -6.161 7.813 11.420 1.00 0.31 C ATOM 1076 CG ASP A 70 -7.314 8.627 11.976 1.00 1.14 C ATOM 1077 OD1 ASP A 70 -7.216 9.874 12.019 1.00 1.87 O ATOM 1078 OD2 ASP A 70 -8.330 8.023 12.372 1.00 1.95 O ATOM 0 H ASP A 70 -7.963 7.348 9.711 1.00 0.20 H new ATOM 0 HA ASP A 70 -5.567 8.987 9.755 1.00 0.24 H new ATOM 0 HB2 ASP A 70 -6.327 6.758 11.640 1.00 0.31 H new ATOM 0 HB3 ASP A 70 -5.240 8.103 11.926 1.00 0.31 H new ATOM 1083 N MET A 71 -3.973 7.371 8.748 1.00 0.20 N ATOM 1084 CA MET A 71 -3.042 6.457 8.127 1.00 0.20 C ATOM 1085 C MET A 71 -1.653 6.555 8.731 1.00 0.22 C ATOM 1086 O MET A 71 -1.333 7.500 9.456 1.00 0.26 O ATOM 1087 CB MET A 71 -2.968 6.741 6.633 1.00 0.22 C ATOM 1088 CG MET A 71 -4.312 6.670 5.952 1.00 0.19 C ATOM 1089 SD MET A 71 -4.366 7.629 4.437 1.00 0.20 S ATOM 1090 CE MET A 71 -6.110 7.510 4.089 1.00 0.20 C ATOM 0 H MET A 71 -3.716 8.355 8.674 1.00 0.20 H new ATOM 0 HA MET A 71 -3.408 5.445 8.303 1.00 0.20 H new ATOM 0 HB2 MET A 71 -2.540 7.731 6.478 1.00 0.22 H new ATOM 0 HB3 MET A 71 -2.292 6.025 6.166 1.00 0.22 H new ATOM 0 HG2 MET A 71 -4.548 5.630 5.728 1.00 0.19 H new ATOM 0 HG3 MET A 71 -5.081 7.031 6.635 1.00 0.19 H new ATOM 0 HE1 MET A 71 -6.293 7.779 3.048 1.00 0.20 H new ATOM 0 HE2 MET A 71 -6.447 6.488 4.265 1.00 0.20 H new ATOM 0 HE3 MET A 71 -6.658 8.190 4.741 1.00 0.20 H new ATOM 1100 N GLU A 72 -0.840 5.564 8.418 1.00 0.24 N ATOM 1101 CA GLU A 72 0.529 5.495 8.885 1.00 0.25 C ATOM 1102 C GLU A 72 1.332 4.631 7.927 1.00 0.26 C ATOM 1103 O GLU A 72 0.795 3.705 7.321 1.00 0.29 O ATOM 1104 CB GLU A 72 0.590 4.916 10.305 1.00 0.28 C ATOM 1105 CG GLU A 72 1.989 4.499 10.740 1.00 0.30 C ATOM 1106 CD GLU A 72 2.328 4.921 12.154 1.00 0.67 C ATOM 1107 OE1 GLU A 72 1.555 4.601 13.082 1.00 1.32 O ATOM 1108 OE2 GLU A 72 3.378 5.569 12.345 1.00 1.47 O ATOM 0 H GLU A 72 -1.115 4.779 7.828 1.00 0.24 H new ATOM 0 HA GLU A 72 0.951 6.500 8.916 1.00 0.25 H new ATOM 0 HB2 GLU A 72 0.208 5.658 11.006 1.00 0.28 H new ATOM 0 HB3 GLU A 72 -0.071 4.051 10.363 1.00 0.28 H new ATOM 0 HG2 GLU A 72 2.079 3.416 10.660 1.00 0.30 H new ATOM 0 HG3 GLU A 72 2.719 4.931 10.055 1.00 0.30 H new ATOM 1115 N THR A 73 2.600 4.951 7.754 1.00 0.26 N ATOM 1116 CA THR A 73 3.447 4.176 6.879 1.00 0.28 C ATOM 1117 C THR A 73 4.335 3.253 7.701 1.00 0.30 C ATOM 1118 O THR A 73 4.439 3.394 8.918 1.00 0.36 O ATOM 1119 CB THR A 73 4.328 5.076 5.993 1.00 0.28 C ATOM 1120 OG1 THR A 73 5.410 5.615 6.763 1.00 0.28 O ATOM 1121 CG2 THR A 73 3.519 6.218 5.399 1.00 0.32 C ATOM 0 H THR A 73 3.061 5.740 8.207 1.00 0.26 H new ATOM 0 HA THR A 73 2.799 3.589 6.228 1.00 0.28 H new ATOM 0 HB THR A 73 4.721 4.465 5.180 1.00 0.28 H new ATOM 0 HG1 THR A 73 5.163 5.627 7.711 1.00 0.28 H new ATOM 0 HG21 THR A 73 4.166 6.838 4.778 1.00 0.32 H new ATOM 0 HG22 THR A 73 2.711 5.813 4.790 1.00 0.32 H new ATOM 0 HG23 THR A 73 3.100 6.823 6.203 1.00 0.32 H new ATOM 1129 N MET A 74 4.980 2.318 7.028 1.00 0.32 N ATOM 1130 CA MET A 74 5.874 1.379 7.685 1.00 0.34 C ATOM 1131 C MET A 74 7.122 2.095 8.198 1.00 0.31 C ATOM 1132 O MET A 74 7.887 1.537 8.985 1.00 0.37 O ATOM 1133 CB MET A 74 6.275 0.274 6.710 1.00 0.42 C ATOM 1134 CG MET A 74 5.115 -0.573 6.216 1.00 0.76 C ATOM 1135 SD MET A 74 5.671 -2.076 5.385 1.00 0.93 S ATOM 1136 CE MET A 74 4.112 -2.928 5.170 1.00 1.05 C ATOM 0 H MET A 74 4.901 2.187 6.019 1.00 0.32 H new ATOM 0 HA MET A 74 5.351 0.939 8.534 1.00 0.34 H new ATOM 0 HB2 MET A 74 6.772 0.726 5.851 1.00 0.42 H new ATOM 0 HB3 MET A 74 7.004 -0.376 7.195 1.00 0.42 H new ATOM 0 HG2 MET A 74 4.478 -0.841 7.059 1.00 0.76 H new ATOM 0 HG3 MET A 74 4.505 0.015 5.530 1.00 0.76 H new ATOM 0 HE1 MET A 74 4.160 -3.902 5.656 1.00 1.05 H new ATOM 0 HE2 MET A 74 3.311 -2.339 5.616 1.00 1.05 H new ATOM 0 HE3 MET A 74 3.915 -3.063 4.107 1.00 1.05 H new ATOM 1146 N GLY A 75 7.327 3.322 7.732 1.00 0.28 N ATOM 1147 CA GLY A 75 8.466 4.106 8.157 1.00 0.31 C ATOM 1148 C GLY A 75 8.178 4.871 9.434 1.00 0.35 C ATOM 1149 O GLY A 75 9.090 5.410 10.064 1.00 0.48 O ATOM 0 H GLY A 75 6.717 3.789 7.061 1.00 0.28 H new ATOM 0 HA2 GLY A 75 9.322 3.449 8.312 1.00 0.31 H new ATOM 0 HA3 GLY A 75 8.740 4.806 7.368 1.00 0.31 H new ATOM 1153 N GLY A 76 6.906 4.915 9.817 1.00 0.34 N ATOM 1154 CA GLY A 76 6.510 5.612 11.027 1.00 0.39 C ATOM 1155 C GLY A 76 6.055 7.035 10.765 1.00 0.38 C ATOM 1156 O GLY A 76 6.561 7.974 11.382 1.00 0.48 O ATOM 0 H GLY A 76 6.138 4.478 9.307 1.00 0.34 H new ATOM 0 HA2 GLY A 76 5.703 5.061 11.510 1.00 0.39 H new ATOM 0 HA3 GLY A 76 7.348 5.626 11.723 1.00 0.39 H new ATOM 1160 N ARG A 77 5.119 7.201 9.840 1.00 0.38 N ATOM 1161 CA ARG A 77 4.593 8.523 9.517 1.00 0.38 C ATOM 1162 C ARG A 77 3.127 8.616 9.912 1.00 0.37 C ATOM 1163 O ARG A 77 2.301 7.847 9.427 1.00 0.36 O ATOM 1164 CB ARG A 77 4.725 8.828 8.023 1.00 0.37 C ATOM 1165 CG ARG A 77 6.091 8.516 7.440 1.00 0.39 C ATOM 1166 CD ARG A 77 6.110 8.732 5.940 1.00 0.43 C ATOM 1167 NE ARG A 77 6.730 10.001 5.572 1.00 0.52 N ATOM 1168 CZ ARG A 77 7.868 10.106 4.891 1.00 0.67 C ATOM 1169 NH1 ARG A 77 8.544 9.019 4.531 1.00 0.80 N ATOM 1170 NH2 ARG A 77 8.336 11.307 4.581 1.00 0.85 N ATOM 0 H ARG A 77 4.708 6.439 9.300 1.00 0.38 H new ATOM 0 HA ARG A 77 5.178 9.253 10.077 1.00 0.38 H new ATOM 0 HB2 ARG A 77 3.972 8.257 7.480 1.00 0.37 H new ATOM 0 HB3 ARG A 77 4.505 9.883 7.859 1.00 0.37 H new ATOM 0 HG2 ARG A 77 6.843 9.149 7.911 1.00 0.39 H new ATOM 0 HG3 ARG A 77 6.358 7.483 7.665 1.00 0.39 H new ATOM 0 HD2 ARG A 77 6.651 7.914 5.464 1.00 0.43 H new ATOM 0 HD3 ARG A 77 5.090 8.704 5.558 1.00 0.43 H new ATOM 0 HE ARG A 77 6.261 10.862 5.855 1.00 0.52 H new ATOM 0 HH11 ARG A 77 8.191 8.094 4.777 1.00 0.80 H new ATOM 0 HH12 ARG A 77 9.416 9.110 4.009 1.00 0.80 H new ATOM 0 HH21 ARG A 77 7.824 12.143 4.864 1.00 0.85 H new ATOM 0 HH22 ARG A 77 9.208 11.395 4.059 1.00 0.85 H new ATOM 1184 N LYS A 78 2.812 9.555 10.788 1.00 0.42 N ATOM 1185 CA LYS A 78 1.441 9.755 11.235 1.00 0.43 C ATOM 1186 C LYS A 78 0.771 10.815 10.367 1.00 0.39 C ATOM 1187 O LYS A 78 1.252 11.948 10.291 1.00 0.44 O ATOM 1188 CB LYS A 78 1.419 10.208 12.697 1.00 0.57 C ATOM 1189 CG LYS A 78 2.367 9.441 13.599 1.00 0.75 C ATOM 1190 CD LYS A 78 1.847 8.048 13.904 1.00 1.12 C ATOM 1191 CE LYS A 78 2.778 7.304 14.850 1.00 1.69 C ATOM 1192 NZ LYS A 78 2.250 5.960 15.195 1.00 1.76 N ATOM 0 H LYS A 78 3.489 10.194 11.206 1.00 0.42 H new ATOM 0 HA LYS A 78 0.902 8.812 11.148 1.00 0.43 H new ATOM 0 HB2 LYS A 78 1.670 11.268 12.741 1.00 0.57 H new ATOM 0 HB3 LYS A 78 0.405 10.105 13.083 1.00 0.57 H new ATOM 0 HG2 LYS A 78 3.344 9.368 13.122 1.00 0.75 H new ATOM 0 HG3 LYS A 78 2.507 9.989 14.531 1.00 0.75 H new ATOM 0 HD2 LYS A 78 0.854 8.118 14.348 1.00 1.12 H new ATOM 0 HD3 LYS A 78 1.743 7.485 12.976 1.00 1.12 H new ATOM 0 HE2 LYS A 78 3.760 7.202 14.388 1.00 1.69 H new ATOM 0 HE3 LYS A 78 2.913 7.887 15.761 1.00 1.69 H new ATOM 0 HZ1 LYS A 78 3.043 5.313 15.381 1.00 1.76 H new ATOM 0 HZ2 LYS A 78 1.653 6.029 16.043 1.00 1.76 H new ATOM 0 HZ3 LYS A 78 1.684 5.595 14.402 1.00 1.76 H new ATOM 1206 N PHE A 79 -0.329 10.453 9.717 1.00 0.33 N ATOM 1207 CA PHE A 79 -1.040 11.389 8.847 1.00 0.31 C ATOM 1208 C PHE A 79 -2.469 10.927 8.568 1.00 0.28 C ATOM 1209 O PHE A 79 -2.889 9.861 9.010 1.00 0.29 O ATOM 1210 CB PHE A 79 -0.273 11.544 7.526 1.00 0.31 C ATOM 1211 CG PHE A 79 -0.164 10.263 6.747 1.00 0.28 C ATOM 1212 CD1 PHE A 79 0.809 9.336 7.065 1.00 1.07 C ATOM 1213 CD2 PHE A 79 -1.038 9.985 5.711 1.00 1.17 C ATOM 1214 CE1 PHE A 79 0.912 8.152 6.369 1.00 1.09 C ATOM 1215 CE2 PHE A 79 -0.944 8.799 5.010 1.00 1.16 C ATOM 1216 CZ PHE A 79 0.031 7.880 5.337 1.00 0.26 C ATOM 0 H PHE A 79 -0.748 9.525 9.774 1.00 0.33 H new ATOM 0 HA PHE A 79 -1.097 12.350 9.359 1.00 0.31 H new ATOM 0 HB2 PHE A 79 -0.771 12.294 6.911 1.00 0.31 H new ATOM 0 HB3 PHE A 79 0.728 11.919 7.737 1.00 0.31 H new ATOM 0 HD1 PHE A 79 1.498 9.542 7.870 1.00 1.07 H new ATOM 0 HD2 PHE A 79 -1.801 10.703 5.448 1.00 1.17 H new ATOM 0 HE1 PHE A 79 1.679 7.437 6.628 1.00 1.09 H new ATOM 0 HE2 PHE A 79 -1.634 8.591 4.206 1.00 1.16 H new ATOM 0 HZ PHE A 79 0.107 6.952 4.790 1.00 0.26 H new ATOM 1226 N LYS A 80 -3.204 11.751 7.831 1.00 0.29 N ATOM 1227 CA LYS A 80 -4.580 11.459 7.469 1.00 0.33 C ATOM 1228 C LYS A 80 -4.838 11.902 6.041 1.00 0.27 C ATOM 1229 O LYS A 80 -4.338 12.941 5.604 1.00 0.28 O ATOM 1230 CB LYS A 80 -5.539 12.160 8.430 1.00 0.44 C ATOM 1231 CG LYS A 80 -5.495 11.582 9.834 1.00 0.65 C ATOM 1232 CD LYS A 80 -5.441 12.674 10.889 1.00 0.81 C ATOM 1233 CE LYS A 80 -6.766 13.413 10.995 1.00 1.64 C ATOM 1234 NZ LYS A 80 -7.882 12.507 11.375 1.00 2.55 N ATOM 0 H LYS A 80 -2.860 12.640 7.469 1.00 0.29 H new ATOM 0 HA LYS A 80 -4.749 10.385 7.540 1.00 0.33 H new ATOM 0 HB2 LYS A 80 -5.293 13.221 8.471 1.00 0.44 H new ATOM 0 HB3 LYS A 80 -6.555 12.083 8.042 1.00 0.44 H new ATOM 0 HG2 LYS A 80 -6.374 10.959 9.999 1.00 0.65 H new ATOM 0 HG3 LYS A 80 -4.623 10.935 9.934 1.00 0.65 H new ATOM 0 HD2 LYS A 80 -5.189 12.236 11.855 1.00 0.81 H new ATOM 0 HD3 LYS A 80 -4.648 13.380 10.643 1.00 0.81 H new ATOM 0 HE2 LYS A 80 -6.678 14.209 11.734 1.00 1.64 H new ATOM 0 HE3 LYS A 80 -6.994 13.887 10.040 1.00 1.64 H new ATOM 0 HZ1 LYS A 80 -8.455 12.290 10.534 1.00 2.55 H new ATOM 0 HZ2 LYS A 80 -7.495 11.625 11.767 1.00 2.55 H new ATOM 0 HZ3 LYS A 80 -8.478 12.971 12.089 1.00 2.55 H new ATOM 1248 N ALA A 81 -5.603 11.109 5.316 1.00 0.24 N ATOM 1249 CA ALA A 81 -5.911 11.414 3.932 1.00 0.20 C ATOM 1250 C ALA A 81 -7.303 10.937 3.556 1.00 0.19 C ATOM 1251 O ALA A 81 -7.891 10.108 4.248 1.00 0.19 O ATOM 1252 CB ALA A 81 -4.877 10.788 3.012 1.00 0.21 C ATOM 0 H ALA A 81 -6.023 10.247 5.663 1.00 0.24 H new ATOM 0 HA ALA A 81 -5.884 12.497 3.815 1.00 0.20 H new ATOM 0 HB1 ALA A 81 -5.121 11.025 1.976 1.00 0.21 H new ATOM 0 HB2 ALA A 81 -3.890 11.183 3.252 1.00 0.21 H new ATOM 0 HB3 ALA A 81 -4.878 9.706 3.147 1.00 0.21 H new ATOM 1258 N THR A 82 -7.823 11.474 2.461 1.00 0.19 N ATOM 1259 CA THR A 82 -9.145 11.103 1.971 1.00 0.19 C ATOM 1260 C THR A 82 -9.020 10.112 0.812 1.00 0.20 C ATOM 1261 O THR A 82 -8.266 10.340 -0.138 1.00 0.28 O ATOM 1262 CB THR A 82 -9.947 12.342 1.514 1.00 0.23 C ATOM 1263 OG1 THR A 82 -9.617 13.468 2.341 1.00 0.33 O ATOM 1264 CG2 THR A 82 -11.447 12.077 1.585 1.00 0.25 C ATOM 0 H THR A 82 -7.346 12.173 1.891 1.00 0.19 H new ATOM 0 HA THR A 82 -9.684 10.634 2.794 1.00 0.19 H new ATOM 0 HB THR A 82 -9.682 12.558 0.479 1.00 0.23 H new ATOM 0 HG1 THR A 82 -10.127 14.251 2.046 1.00 0.33 H new ATOM 0 HG21 THR A 82 -11.989 12.964 1.258 1.00 0.25 H new ATOM 0 HG22 THR A 82 -11.699 11.238 0.936 1.00 0.25 H new ATOM 0 HG23 THR A 82 -11.726 11.839 2.611 1.00 0.25 H new ATOM 1272 N VAL A 83 -9.756 9.011 0.894 1.00 0.15 N ATOM 1273 CA VAL A 83 -9.710 7.978 -0.133 1.00 0.15 C ATOM 1274 C VAL A 83 -11.018 7.936 -0.911 1.00 0.16 C ATOM 1275 O VAL A 83 -12.078 8.160 -0.343 1.00 0.19 O ATOM 1276 CB VAL A 83 -9.455 6.590 0.493 1.00 0.15 C ATOM 1277 CG1 VAL A 83 -9.182 5.558 -0.580 1.00 0.15 C ATOM 1278 CG2 VAL A 83 -8.302 6.643 1.479 1.00 0.19 C ATOM 0 H VAL A 83 -10.394 8.810 1.664 1.00 0.15 H new ATOM 0 HA VAL A 83 -8.891 8.224 -0.809 1.00 0.15 H new ATOM 0 HB VAL A 83 -10.355 6.297 1.033 1.00 0.15 H new ATOM 0 HG11 VAL A 83 -9.005 4.588 -0.115 1.00 0.15 H new ATOM 0 HG12 VAL A 83 -10.042 5.490 -1.246 1.00 0.15 H new ATOM 0 HG13 VAL A 83 -8.302 5.852 -1.152 1.00 0.15 H new ATOM 0 HG21 VAL A 83 -8.143 5.653 1.906 1.00 0.19 H new ATOM 0 HG22 VAL A 83 -7.397 6.966 0.964 1.00 0.19 H new ATOM 0 HG23 VAL A 83 -8.537 7.348 2.276 1.00 0.19 H new ATOM 1288 N LYS A 84 -10.938 7.659 -2.204 1.00 0.17 N ATOM 1289 CA LYS A 84 -12.122 7.582 -3.052 1.00 0.19 C ATOM 1290 C LYS A 84 -12.028 6.355 -3.959 1.00 0.19 C ATOM 1291 O LYS A 84 -11.023 5.644 -3.941 1.00 0.21 O ATOM 1292 CB LYS A 84 -12.272 8.863 -3.883 1.00 0.21 C ATOM 1293 CG LYS A 84 -11.049 9.188 -4.724 1.00 0.26 C ATOM 1294 CD LYS A 84 -10.922 10.675 -5.002 1.00 0.42 C ATOM 1295 CE LYS A 84 -9.843 10.949 -6.038 1.00 0.49 C ATOM 1296 NZ LYS A 84 -10.336 10.733 -7.424 1.00 1.14 N ATOM 0 H LYS A 84 -10.060 7.483 -2.693 1.00 0.17 H new ATOM 0 HA LYS A 84 -13.006 7.485 -2.421 1.00 0.19 H new ATOM 0 HB2 LYS A 84 -13.137 8.762 -4.538 1.00 0.21 H new ATOM 0 HB3 LYS A 84 -12.475 9.699 -3.214 1.00 0.21 H new ATOM 0 HG2 LYS A 84 -10.154 8.839 -4.210 1.00 0.26 H new ATOM 0 HG3 LYS A 84 -11.106 8.647 -5.669 1.00 0.26 H new ATOM 0 HD2 LYS A 84 -11.877 11.065 -5.355 1.00 0.42 H new ATOM 0 HD3 LYS A 84 -10.685 11.202 -4.078 1.00 0.42 H new ATOM 0 HE2 LYS A 84 -9.492 11.976 -5.934 1.00 0.49 H new ATOM 0 HE3 LYS A 84 -8.988 10.299 -5.852 1.00 0.49 H new ATOM 0 HZ1 LYS A 84 -9.559 10.380 -8.018 1.00 1.14 H new ATOM 0 HZ2 LYS A 84 -11.108 10.036 -7.413 1.00 1.14 H new ATOM 0 HZ3 LYS A 84 -10.687 11.632 -7.812 1.00 1.14 H new ATOM 1310 N MET A 85 -13.067 6.103 -4.746 1.00 0.21 N ATOM 1311 CA MET A 85 -13.084 4.949 -5.634 1.00 0.22 C ATOM 1312 C MET A 85 -13.423 5.361 -7.066 1.00 0.28 C ATOM 1313 O MET A 85 -14.360 6.126 -7.293 1.00 0.41 O ATOM 1314 CB MET A 85 -14.101 3.920 -5.132 1.00 0.23 C ATOM 1315 CG MET A 85 -13.479 2.613 -4.661 1.00 0.21 C ATOM 1316 SD MET A 85 -14.716 1.402 -4.148 1.00 0.26 S ATOM 1317 CE MET A 85 -13.760 0.367 -3.039 1.00 0.25 C ATOM 0 H MET A 85 -13.906 6.681 -4.787 1.00 0.21 H new ATOM 0 HA MET A 85 -12.089 4.505 -5.635 1.00 0.22 H new ATOM 0 HB2 MET A 85 -14.669 4.357 -4.311 1.00 0.23 H new ATOM 0 HB3 MET A 85 -14.810 3.706 -5.931 1.00 0.23 H new ATOM 0 HG2 MET A 85 -12.875 2.192 -5.465 1.00 0.21 H new ATOM 0 HG3 MET A 85 -12.806 2.815 -3.828 1.00 0.21 H new ATOM 0 HE1 MET A 85 -14.417 -0.360 -2.563 1.00 0.25 H new ATOM 0 HE2 MET A 85 -12.989 -0.156 -3.604 1.00 0.25 H new ATOM 0 HE3 MET A 85 -13.292 0.988 -2.275 1.00 0.25 H new ATOM 1327 N GLU A 86 -12.646 4.864 -8.021 1.00 0.26 N ATOM 1328 CA GLU A 86 -12.870 5.176 -9.430 1.00 0.32 C ATOM 1329 C GLU A 86 -13.212 3.911 -10.215 1.00 0.29 C ATOM 1330 O GLU A 86 -12.346 3.312 -10.856 1.00 0.36 O ATOM 1331 CB GLU A 86 -11.634 5.830 -10.058 1.00 0.48 C ATOM 1332 CG GLU A 86 -10.827 6.690 -9.105 1.00 1.22 C ATOM 1333 CD GLU A 86 -11.324 8.117 -9.015 1.00 1.99 C ATOM 1334 OE1 GLU A 86 -11.242 8.848 -10.021 1.00 2.46 O ATOM 1335 OE2 GLU A 86 -11.771 8.530 -7.926 1.00 2.67 O ATOM 0 H GLU A 86 -11.855 4.244 -7.847 1.00 0.26 H new ATOM 0 HA GLU A 86 -13.705 5.874 -9.477 1.00 0.32 H new ATOM 0 HB2 GLU A 86 -10.988 5.048 -10.458 1.00 0.48 H new ATOM 0 HB3 GLU A 86 -11.952 6.443 -10.901 1.00 0.48 H new ATOM 0 HG2 GLU A 86 -10.852 6.241 -8.112 1.00 1.22 H new ATOM 0 HG3 GLU A 86 -9.785 6.695 -9.426 1.00 1.22 H new ATOM 1342 N GLY A 87 -14.468 3.501 -10.147 1.00 0.37 N ATOM 1343 CA GLY A 87 -14.912 2.323 -10.864 1.00 0.46 C ATOM 1344 C GLY A 87 -14.316 1.038 -10.325 1.00 0.38 C ATOM 1345 O GLY A 87 -13.700 0.270 -11.068 1.00 0.36 O ATOM 0 H GLY A 87 -15.194 3.967 -9.603 1.00 0.37 H new ATOM 0 HA2 GLY A 87 -15.999 2.262 -10.812 1.00 0.46 H new ATOM 0 HA3 GLY A 87 -14.648 2.425 -11.917 1.00 0.46 H new ATOM 1349 N GLY A 88 -14.496 0.804 -9.033 1.00 0.36 N ATOM 1350 CA GLY A 88 -13.970 -0.398 -8.413 1.00 0.33 C ATOM 1351 C GLY A 88 -12.468 -0.342 -8.218 1.00 0.27 C ATOM 1352 O GLY A 88 -11.807 -1.376 -8.119 1.00 0.32 O ATOM 0 H GLY A 88 -14.998 1.426 -8.400 1.00 0.36 H new ATOM 0 HA2 GLY A 88 -14.453 -0.546 -7.447 1.00 0.33 H new ATOM 0 HA3 GLY A 88 -14.221 -1.261 -9.030 1.00 0.33 H new ATOM 1356 N LYS A 89 -11.930 0.866 -8.185 1.00 0.22 N ATOM 1357 CA LYS A 89 -10.502 1.072 -7.991 1.00 0.19 C ATOM 1358 C LYS A 89 -10.283 2.110 -6.900 1.00 0.17 C ATOM 1359 O LYS A 89 -10.634 3.279 -7.072 1.00 0.20 O ATOM 1360 CB LYS A 89 -9.836 1.529 -9.295 1.00 0.24 C ATOM 1361 CG LYS A 89 -10.175 0.660 -10.498 1.00 0.28 C ATOM 1362 CD LYS A 89 -9.224 0.914 -11.657 1.00 0.52 C ATOM 1363 CE LYS A 89 -9.625 0.127 -12.895 1.00 1.06 C ATOM 1364 NZ LYS A 89 -8.496 -0.006 -13.848 1.00 1.76 N ATOM 0 H LYS A 89 -12.466 1.727 -8.291 1.00 0.22 H new ATOM 0 HA LYS A 89 -10.048 0.127 -7.691 1.00 0.19 H new ATOM 0 HB2 LYS A 89 -10.136 2.556 -9.505 1.00 0.24 H new ATOM 0 HB3 LYS A 89 -8.755 1.535 -9.157 1.00 0.24 H new ATOM 0 HG2 LYS A 89 -10.130 -0.391 -10.213 1.00 0.28 H new ATOM 0 HG3 LYS A 89 -11.198 0.860 -10.816 1.00 0.28 H new ATOM 0 HD2 LYS A 89 -9.211 1.979 -11.891 1.00 0.52 H new ATOM 0 HD3 LYS A 89 -8.211 0.640 -11.363 1.00 0.52 H new ATOM 0 HE2 LYS A 89 -9.972 -0.864 -12.600 1.00 1.06 H new ATOM 0 HE3 LYS A 89 -10.461 0.624 -13.388 1.00 1.06 H new ATOM 0 HZ1 LYS A 89 -8.865 -0.233 -14.794 1.00 1.76 H new ATOM 0 HZ2 LYS A 89 -7.968 0.889 -13.888 1.00 1.76 H new ATOM 0 HZ3 LYS A 89 -7.863 -0.768 -13.532 1.00 1.76 H new ATOM 1378 N ILE A 90 -9.747 1.669 -5.773 1.00 0.17 N ATOM 1379 CA ILE A 90 -9.490 2.560 -4.648 1.00 0.16 C ATOM 1380 C ILE A 90 -8.307 3.472 -4.941 1.00 0.17 C ATOM 1381 O ILE A 90 -7.209 3.003 -5.222 1.00 0.22 O ATOM 1382 CB ILE A 90 -9.200 1.783 -3.343 1.00 0.17 C ATOM 1383 CG1 ILE A 90 -10.157 0.590 -3.200 1.00 0.19 C ATOM 1384 CG2 ILE A 90 -9.312 2.713 -2.147 1.00 0.18 C ATOM 1385 CD1 ILE A 90 -10.341 0.107 -1.774 1.00 0.20 C ATOM 0 H ILE A 90 -9.480 0.698 -5.611 1.00 0.17 H new ATOM 0 HA ILE A 90 -10.395 3.151 -4.510 1.00 0.16 H new ATOM 0 HB ILE A 90 -8.183 1.394 -3.385 1.00 0.17 H new ATOM 0 HG12 ILE A 90 -11.130 0.868 -3.606 1.00 0.19 H new ATOM 0 HG13 ILE A 90 -9.783 -0.236 -3.806 1.00 0.19 H new ATOM 0 HG21 ILE A 90 -9.106 2.156 -1.233 1.00 0.18 H new ATOM 0 HG22 ILE A 90 -8.591 3.524 -2.248 1.00 0.18 H new ATOM 0 HG23 ILE A 90 -10.319 3.127 -2.101 1.00 0.18 H new ATOM 0 HD11 ILE A 90 -11.031 -0.737 -1.762 1.00 0.20 H new ATOM 0 HD12 ILE A 90 -9.379 -0.205 -1.369 1.00 0.20 H new ATOM 0 HD13 ILE A 90 -10.746 0.916 -1.165 1.00 0.20 H new ATOM 1397 N VAL A 91 -8.535 4.771 -4.892 1.00 0.15 N ATOM 1398 CA VAL A 91 -7.482 5.735 -5.134 1.00 0.17 C ATOM 1399 C VAL A 91 -7.367 6.700 -3.962 1.00 0.16 C ATOM 1400 O VAL A 91 -8.370 7.171 -3.419 1.00 0.16 O ATOM 1401 CB VAL A 91 -7.718 6.523 -6.443 1.00 0.20 C ATOM 1402 CG1 VAL A 91 -9.041 7.253 -6.397 1.00 0.25 C ATOM 1403 CG2 VAL A 91 -6.581 7.506 -6.709 1.00 0.25 C ATOM 0 H VAL A 91 -9.445 5.183 -4.686 1.00 0.15 H new ATOM 0 HA VAL A 91 -6.549 5.181 -5.239 1.00 0.17 H new ATOM 0 HB VAL A 91 -7.744 5.804 -7.262 1.00 0.20 H new ATOM 0 HG11 VAL A 91 -9.187 7.801 -7.328 1.00 0.25 H new ATOM 0 HG12 VAL A 91 -9.849 6.533 -6.269 1.00 0.25 H new ATOM 0 HG13 VAL A 91 -9.042 7.952 -5.561 1.00 0.25 H new ATOM 0 HG21 VAL A 91 -6.776 8.045 -7.636 1.00 0.25 H new ATOM 0 HG22 VAL A 91 -6.513 8.215 -5.884 1.00 0.25 H new ATOM 0 HG23 VAL A 91 -5.641 6.960 -6.797 1.00 0.25 H new ATOM 1413 N ALA A 92 -6.141 6.968 -3.562 1.00 0.18 N ATOM 1414 CA ALA A 92 -5.877 7.872 -2.462 1.00 0.19 C ATOM 1415 C ALA A 92 -5.104 9.088 -2.950 1.00 0.20 C ATOM 1416 O ALA A 92 -4.121 8.956 -3.686 1.00 0.25 O ATOM 1417 CB ALA A 92 -5.117 7.155 -1.364 1.00 0.22 C ATOM 0 H ALA A 92 -5.304 6.568 -3.987 1.00 0.18 H new ATOM 0 HA ALA A 92 -6.828 8.214 -2.053 1.00 0.19 H new ATOM 0 HB1 ALA A 92 -4.925 7.846 -0.543 1.00 0.22 H new ATOM 0 HB2 ALA A 92 -5.709 6.315 -1.000 1.00 0.22 H new ATOM 0 HB3 ALA A 92 -4.169 6.787 -1.758 1.00 0.22 H new ATOM 1423 N ASP A 93 -5.552 10.265 -2.541 1.00 0.22 N ATOM 1424 CA ASP A 93 -4.920 11.511 -2.954 1.00 0.26 C ATOM 1425 C ASP A 93 -3.848 11.951 -1.972 1.00 0.22 C ATOM 1426 O ASP A 93 -4.107 12.147 -0.782 1.00 0.23 O ATOM 1427 CB ASP A 93 -5.964 12.609 -3.103 1.00 0.37 C ATOM 1428 CG ASP A 93 -5.344 13.963 -3.389 1.00 0.50 C ATOM 1429 OD1 ASP A 93 -4.699 14.117 -4.452 1.00 0.88 O ATOM 1430 OD2 ASP A 93 -5.494 14.880 -2.551 1.00 1.19 O ATOM 0 H ASP A 93 -6.353 10.385 -1.921 1.00 0.22 H new ATOM 0 HA ASP A 93 -4.441 11.331 -3.917 1.00 0.26 H new ATOM 0 HB2 ASP A 93 -6.648 12.348 -3.910 1.00 0.37 H new ATOM 0 HB3 ASP A 93 -6.556 12.669 -2.190 1.00 0.37 H new ATOM 1435 N PHE A 94 -2.645 12.111 -2.491 1.00 0.22 N ATOM 1436 CA PHE A 94 -1.505 12.531 -1.695 1.00 0.21 C ATOM 1437 C PHE A 94 -0.650 13.513 -2.488 1.00 0.24 C ATOM 1438 O PHE A 94 -0.714 13.535 -3.719 1.00 0.26 O ATOM 1439 CB PHE A 94 -0.669 11.317 -1.304 1.00 0.21 C ATOM 1440 CG PHE A 94 -1.294 10.466 -0.247 1.00 0.20 C ATOM 1441 CD1 PHE A 94 -1.181 10.809 1.088 1.00 1.26 C ATOM 1442 CD2 PHE A 94 -1.996 9.323 -0.587 1.00 1.14 C ATOM 1443 CE1 PHE A 94 -1.756 10.025 2.064 1.00 1.27 C ATOM 1444 CE2 PHE A 94 -2.573 8.538 0.388 1.00 1.14 C ATOM 1445 CZ PHE A 94 -2.454 8.889 1.714 1.00 0.25 C ATOM 0 H PHE A 94 -2.430 11.954 -3.476 1.00 0.22 H new ATOM 0 HA PHE A 94 -1.866 13.022 -0.791 1.00 0.21 H new ATOM 0 HB2 PHE A 94 -0.494 10.708 -2.191 1.00 0.21 H new ATOM 0 HB3 PHE A 94 0.306 11.657 -0.954 1.00 0.21 H new ATOM 0 HD1 PHE A 94 -0.637 11.699 1.368 1.00 1.26 H new ATOM 0 HD2 PHE A 94 -2.093 9.043 -1.626 1.00 1.14 H new ATOM 0 HE1 PHE A 94 -1.660 10.301 3.104 1.00 1.27 H new ATOM 0 HE2 PHE A 94 -3.118 7.648 0.112 1.00 1.14 H new ATOM 0 HZ PHE A 94 -2.907 8.275 2.479 1.00 0.25 H new ATOM 1455 N PRO A 95 0.137 14.354 -1.804 1.00 0.26 N ATOM 1456 CA PRO A 95 1.008 15.316 -2.480 1.00 0.29 C ATOM 1457 C PRO A 95 2.129 14.625 -3.249 1.00 0.26 C ATOM 1458 O PRO A 95 3.034 14.038 -2.651 1.00 0.27 O ATOM 1459 CB PRO A 95 1.582 16.151 -1.334 1.00 0.36 C ATOM 1460 CG PRO A 95 1.434 15.310 -0.113 1.00 0.32 C ATOM 1461 CD PRO A 95 0.221 14.456 -0.337 1.00 0.28 C ATOM 0 HA PRO A 95 0.469 15.907 -3.220 1.00 0.29 H new ATOM 0 HB2 PRO A 95 2.628 16.399 -1.515 1.00 0.36 H new ATOM 0 HB3 PRO A 95 1.045 17.094 -1.228 1.00 0.36 H new ATOM 0 HG2 PRO A 95 2.320 14.694 0.045 1.00 0.32 H new ATOM 0 HG3 PRO A 95 1.314 15.931 0.775 1.00 0.32 H new ATOM 0 HD2 PRO A 95 0.329 13.476 0.128 1.00 0.28 H new ATOM 0 HD3 PRO A 95 -0.674 14.912 0.085 1.00 0.28 H new ATOM 1469 N ASN A 96 2.056 14.712 -4.578 1.00 0.27 N ATOM 1470 CA ASN A 96 3.045 14.105 -5.473 1.00 0.29 C ATOM 1471 C ASN A 96 3.055 12.580 -5.321 1.00 0.28 C ATOM 1472 O ASN A 96 4.012 11.907 -5.695 1.00 0.37 O ATOM 1473 CB ASN A 96 4.440 14.693 -5.214 1.00 0.35 C ATOM 1474 CG ASN A 96 5.364 14.574 -6.409 1.00 0.77 C ATOM 1475 OD1 ASN A 96 6.250 13.721 -6.444 1.00 1.27 O ATOM 1476 ND2 ASN A 96 5.166 15.431 -7.398 1.00 1.50 N ATOM 0 H ASN A 96 1.309 15.206 -5.066 1.00 0.27 H new ATOM 0 HA ASN A 96 2.764 14.337 -6.500 1.00 0.29 H new ATOM 0 HB2 ASN A 96 4.340 15.744 -4.942 1.00 0.35 H new ATOM 0 HB3 ASN A 96 4.890 14.184 -4.362 1.00 0.35 H new ATOM 0 HD21 ASN A 96 5.759 15.399 -8.227 1.00 1.50 H new ATOM 0 HD22 ASN A 96 4.420 16.124 -7.331 1.00 1.50 H new ATOM 1483 N TYR A 97 1.967 12.043 -4.780 1.00 0.23 N ATOM 1484 CA TYR A 97 1.832 10.606 -4.572 1.00 0.21 C ATOM 1485 C TYR A 97 0.425 10.166 -4.950 1.00 0.21 C ATOM 1486 O TYR A 97 -0.567 10.726 -4.480 1.00 0.24 O ATOM 1487 CB TYR A 97 2.145 10.257 -3.107 1.00 0.22 C ATOM 1488 CG TYR A 97 2.376 8.779 -2.829 1.00 0.23 C ATOM 1489 CD1 TYR A 97 1.378 7.832 -3.038 1.00 1.28 C ATOM 1490 CD2 TYR A 97 3.597 8.341 -2.335 1.00 1.14 C ATOM 1491 CE1 TYR A 97 1.594 6.494 -2.768 1.00 1.31 C ATOM 1492 CE2 TYR A 97 3.819 7.006 -2.057 1.00 1.14 C ATOM 1493 CZ TYR A 97 2.816 6.085 -2.276 1.00 0.32 C ATOM 1494 OH TYR A 97 3.031 4.754 -1.992 1.00 0.38 O ATOM 0 H TYR A 97 1.160 12.587 -4.475 1.00 0.23 H new ATOM 0 HA TYR A 97 2.542 10.076 -5.206 1.00 0.21 H new ATOM 0 HB2 TYR A 97 3.032 10.811 -2.800 1.00 0.22 H new ATOM 0 HB3 TYR A 97 1.321 10.603 -2.483 1.00 0.22 H new ATOM 0 HD1 TYR A 97 0.418 8.148 -3.418 1.00 1.28 H new ATOM 0 HD2 TYR A 97 4.388 9.057 -2.165 1.00 1.14 H new ATOM 0 HE1 TYR A 97 0.810 5.772 -2.941 1.00 1.31 H new ATOM 0 HE2 TYR A 97 4.775 6.685 -1.670 1.00 1.14 H new ATOM 0 HH TYR A 97 3.943 4.635 -1.655 1.00 0.38 H new ATOM 1504 N HIS A 98 0.350 9.174 -5.817 1.00 0.21 N ATOM 1505 CA HIS A 98 -0.924 8.647 -6.277 1.00 0.22 C ATOM 1506 C HIS A 98 -0.996 7.148 -6.016 1.00 0.21 C ATOM 1507 O HIS A 98 -0.282 6.374 -6.647 1.00 0.24 O ATOM 1508 CB HIS A 98 -1.106 8.928 -7.773 1.00 0.25 C ATOM 1509 CG HIS A 98 -2.372 9.649 -8.109 1.00 0.52 C ATOM 1510 ND1 HIS A 98 -2.725 10.858 -7.552 1.00 0.81 N ATOM 1511 CD2 HIS A 98 -3.374 9.321 -8.958 1.00 0.81 C ATOM 1512 CE1 HIS A 98 -3.886 11.244 -8.046 1.00 1.09 C ATOM 1513 NE2 HIS A 98 -4.302 10.328 -8.902 1.00 1.09 N ATOM 0 H HIS A 98 1.165 8.712 -6.221 1.00 0.21 H new ATOM 0 HA HIS A 98 -1.725 9.141 -5.727 1.00 0.22 H new ATOM 0 HB2 HIS A 98 -0.260 9.517 -8.127 1.00 0.25 H new ATOM 0 HB3 HIS A 98 -1.084 7.982 -8.315 1.00 0.25 H new ATOM 0 HD2 HIS A 98 -3.432 8.431 -9.567 1.00 0.81 H new ATOM 0 HE1 HIS A 98 -4.408 12.155 -7.793 1.00 1.09 H new ATOM 0 HE2 HIS A 98 -5.171 10.364 -9.434 1.00 1.09 H new ATOM 1522 N HIS A 99 -1.843 6.749 -5.080 1.00 0.21 N ATOM 1523 CA HIS A 99 -1.997 5.340 -4.737 1.00 0.22 C ATOM 1524 C HIS A 99 -3.320 4.803 -5.274 1.00 0.21 C ATOM 1525 O HIS A 99 -4.385 5.306 -4.923 1.00 0.23 O ATOM 1526 CB HIS A 99 -1.944 5.158 -3.216 1.00 0.26 C ATOM 1527 CG HIS A 99 -1.529 3.785 -2.778 1.00 0.32 C ATOM 1528 ND1 HIS A 99 -0.422 3.593 -1.988 1.00 0.67 N ATOM 1529 CD2 HIS A 99 -2.108 2.588 -3.025 1.00 0.52 C ATOM 1530 CE1 HIS A 99 -0.357 2.291 -1.770 1.00 0.64 C ATOM 1531 NE2 HIS A 99 -1.357 1.641 -2.379 1.00 0.49 N ATOM 0 H HIS A 99 -2.436 7.381 -4.542 1.00 0.21 H new ATOM 0 HA HIS A 99 -1.179 4.782 -5.193 1.00 0.22 H new ATOM 0 HB2 HIS A 99 -1.250 5.887 -2.798 1.00 0.26 H new ATOM 0 HB3 HIS A 99 -2.927 5.379 -2.800 1.00 0.26 H new ATOM 0 HD2 HIS A 99 -2.993 2.412 -3.618 1.00 0.52 H new ATOM 0 HE1 HIS A 99 0.407 1.812 -1.175 1.00 0.64 H new ATOM 0 HE2 HIS A 99 -1.527 0.635 -2.365 1.00 0.49 H new ATOM 1539 N THR A 100 -3.247 3.796 -6.130 1.00 0.22 N ATOM 1540 CA THR A 100 -4.443 3.197 -6.703 1.00 0.22 C ATOM 1541 C THR A 100 -4.419 1.682 -6.540 1.00 0.23 C ATOM 1542 O THR A 100 -3.417 1.039 -6.846 1.00 0.31 O ATOM 1543 CB THR A 100 -4.586 3.531 -8.204 1.00 0.23 C ATOM 1544 OG1 THR A 100 -3.377 3.207 -8.902 1.00 0.26 O ATOM 1545 CG2 THR A 100 -4.910 5.000 -8.410 1.00 0.24 C ATOM 0 H THR A 100 -2.372 3.376 -6.444 1.00 0.22 H new ATOM 0 HA THR A 100 -5.294 3.615 -6.165 1.00 0.22 H new ATOM 0 HB THR A 100 -5.407 2.934 -8.601 1.00 0.23 H new ATOM 0 HG1 THR A 100 -3.481 3.422 -9.853 1.00 0.26 H new ATOM 0 HG21 THR A 100 -5.005 5.206 -9.476 1.00 0.24 H new ATOM 0 HG22 THR A 100 -5.848 5.239 -7.909 1.00 0.24 H new ATOM 0 HG23 THR A 100 -4.110 5.611 -7.992 1.00 0.24 H new ATOM 1553 N ALA A 101 -5.523 1.123 -6.074 1.00 0.21 N ATOM 1554 CA ALA A 101 -5.631 -0.315 -5.868 1.00 0.23 C ATOM 1555 C ALA A 101 -6.795 -0.894 -6.664 1.00 0.22 C ATOM 1556 O ALA A 101 -7.921 -0.397 -6.583 1.00 0.23 O ATOM 1557 CB ALA A 101 -5.798 -0.621 -4.387 1.00 0.26 C ATOM 0 H ALA A 101 -6.364 1.646 -5.829 1.00 0.21 H new ATOM 0 HA ALA A 101 -4.713 -0.782 -6.224 1.00 0.23 H new ATOM 0 HB1 ALA A 101 -5.878 -1.699 -4.245 1.00 0.26 H new ATOM 0 HB2 ALA A 101 -4.934 -0.246 -3.838 1.00 0.26 H new ATOM 0 HB3 ALA A 101 -6.702 -0.138 -4.015 1.00 0.26 H new ATOM 1563 N GLU A 102 -6.524 -1.935 -7.441 1.00 0.22 N ATOM 1564 CA GLU A 102 -7.556 -2.572 -8.242 1.00 0.23 C ATOM 1565 C GLU A 102 -7.307 -4.071 -8.359 1.00 0.24 C ATOM 1566 O GLU A 102 -6.256 -4.574 -7.958 1.00 0.26 O ATOM 1567 CB GLU A 102 -7.618 -1.943 -9.633 1.00 0.25 C ATOM 1568 CG GLU A 102 -6.324 -2.060 -10.426 1.00 0.33 C ATOM 1569 CD GLU A 102 -6.264 -1.076 -11.579 1.00 0.56 C ATOM 1570 OE1 GLU A 102 -5.947 0.107 -11.345 1.00 1.18 O ATOM 1571 OE2 GLU A 102 -6.566 -1.476 -12.727 1.00 1.38 O ATOM 0 H GLU A 102 -5.599 -2.354 -7.532 1.00 0.22 H new ATOM 0 HA GLU A 102 -8.512 -2.419 -7.741 1.00 0.23 H new ATOM 0 HB2 GLU A 102 -8.422 -2.415 -10.198 1.00 0.25 H new ATOM 0 HB3 GLU A 102 -7.876 -0.889 -9.532 1.00 0.25 H new ATOM 0 HG2 GLU A 102 -5.477 -1.890 -9.762 1.00 0.33 H new ATOM 0 HG3 GLU A 102 -6.228 -3.075 -10.812 1.00 0.33 H new ATOM 1578 N ILE A 103 -8.273 -4.774 -8.934 1.00 0.27 N ATOM 1579 CA ILE A 103 -8.169 -6.211 -9.110 1.00 0.29 C ATOM 1580 C ILE A 103 -8.033 -6.527 -10.590 1.00 0.31 C ATOM 1581 O ILE A 103 -8.978 -6.359 -11.365 1.00 0.36 O ATOM 1582 CB ILE A 103 -9.394 -6.964 -8.537 1.00 0.31 C ATOM 1583 CG1 ILE A 103 -9.609 -6.616 -7.056 1.00 0.33 C ATOM 1584 CG2 ILE A 103 -9.226 -8.467 -8.725 1.00 0.36 C ATOM 1585 CD1 ILE A 103 -8.452 -6.998 -6.158 1.00 0.37 C ATOM 0 H ILE A 103 -9.140 -4.368 -9.287 1.00 0.27 H new ATOM 0 HA ILE A 103 -7.289 -6.547 -8.561 1.00 0.29 H new ATOM 0 HB ILE A 103 -10.281 -6.646 -9.085 1.00 0.31 H new ATOM 0 HG12 ILE A 103 -9.785 -5.544 -6.967 1.00 0.33 H new ATOM 0 HG13 ILE A 103 -10.510 -7.117 -6.703 1.00 0.33 H new ATOM 0 HG21 ILE A 103 -10.095 -8.984 -8.317 1.00 0.36 H new ATOM 0 HG22 ILE A 103 -9.135 -8.693 -9.787 1.00 0.36 H new ATOM 0 HG23 ILE A 103 -8.328 -8.801 -8.205 1.00 0.36 H new ATOM 0 HD11 ILE A 103 -8.682 -6.719 -5.130 1.00 0.37 H new ATOM 0 HD12 ILE A 103 -8.288 -8.074 -6.214 1.00 0.37 H new ATOM 0 HD13 ILE A 103 -7.552 -6.476 -6.483 1.00 0.37 H new ATOM 1597 N SER A 104 -6.861 -6.986 -10.970 1.00 0.34 N ATOM 1598 CA SER A 104 -6.586 -7.318 -12.353 1.00 0.38 C ATOM 1599 C SER A 104 -6.231 -8.797 -12.485 1.00 0.48 C ATOM 1600 O SER A 104 -5.143 -9.221 -12.094 1.00 0.88 O ATOM 1601 CB SER A 104 -5.452 -6.430 -12.860 1.00 0.55 C ATOM 1602 OG SER A 104 -5.841 -5.068 -12.872 1.00 1.37 O ATOM 0 H SER A 104 -6.077 -7.139 -10.336 1.00 0.34 H new ATOM 0 HA SER A 104 -7.474 -7.139 -12.959 1.00 0.38 H new ATOM 0 HB2 SER A 104 -4.575 -6.556 -12.225 1.00 0.55 H new ATOM 0 HB3 SER A 104 -5.165 -6.739 -13.865 1.00 0.55 H new ATOM 0 HG SER A 104 -5.098 -4.519 -13.199 1.00 1.37 H new ATOM 1608 N GLY A 105 -7.169 -9.582 -13.001 1.00 0.53 N ATOM 1609 CA GLY A 105 -6.942 -11.006 -13.168 1.00 0.64 C ATOM 1610 C GLY A 105 -7.015 -11.756 -11.857 1.00 0.63 C ATOM 1611 O GLY A 105 -6.343 -12.770 -11.672 1.00 0.96 O ATOM 0 H GLY A 105 -8.086 -9.257 -13.308 1.00 0.53 H new ATOM 0 HA2 GLY A 105 -7.682 -11.411 -13.858 1.00 0.64 H new ATOM 0 HA3 GLY A 105 -5.964 -11.165 -13.621 1.00 0.64 H new ATOM 1615 N GLY A 106 -7.833 -11.253 -10.943 1.00 0.49 N ATOM 1616 CA GLY A 106 -7.973 -11.889 -9.650 1.00 0.50 C ATOM 1617 C GLY A 106 -6.832 -11.549 -8.711 1.00 0.44 C ATOM 1618 O GLY A 106 -6.650 -12.210 -7.690 1.00 0.48 O ATOM 0 H GLY A 106 -8.402 -10.416 -11.074 1.00 0.49 H new ATOM 0 HA2 GLY A 106 -8.916 -11.582 -9.197 1.00 0.50 H new ATOM 0 HA3 GLY A 106 -8.020 -12.970 -9.783 1.00 0.50 H new ATOM 1622 N LYS A 107 -6.073 -10.515 -9.049 1.00 0.38 N ATOM 1623 CA LYS A 107 -4.937 -10.106 -8.238 1.00 0.35 C ATOM 1624 C LYS A 107 -5.037 -8.636 -7.862 1.00 0.32 C ATOM 1625 O LYS A 107 -5.516 -7.821 -8.650 1.00 0.33 O ATOM 1626 CB LYS A 107 -3.627 -10.348 -8.994 1.00 0.34 C ATOM 1627 CG LYS A 107 -3.022 -11.729 -8.774 1.00 0.38 C ATOM 1628 CD LYS A 107 -3.697 -12.797 -9.619 1.00 0.66 C ATOM 1629 CE LYS A 107 -2.912 -14.100 -9.597 1.00 0.75 C ATOM 1630 NZ LYS A 107 -2.381 -14.424 -8.249 1.00 1.22 N ATOM 0 H LYS A 107 -6.225 -9.944 -9.881 1.00 0.38 H new ATOM 0 HA LYS A 107 -4.947 -10.704 -7.327 1.00 0.35 H new ATOM 0 HB2 LYS A 107 -3.805 -10.208 -10.060 1.00 0.34 H new ATOM 0 HB3 LYS A 107 -2.901 -9.594 -8.690 1.00 0.34 H new ATOM 0 HG2 LYS A 107 -1.959 -11.699 -9.012 1.00 0.38 H new ATOM 0 HG3 LYS A 107 -3.106 -11.996 -7.721 1.00 0.38 H new ATOM 0 HD2 LYS A 107 -4.707 -12.972 -9.248 1.00 0.66 H new ATOM 0 HD3 LYS A 107 -3.792 -12.445 -10.646 1.00 0.66 H new ATOM 0 HE2 LYS A 107 -3.555 -14.913 -9.935 1.00 0.75 H new ATOM 0 HE3 LYS A 107 -2.084 -14.033 -10.303 1.00 0.75 H new ATOM 0 HZ1 LYS A 107 -2.066 -15.415 -8.229 1.00 1.22 H new ATOM 0 HZ2 LYS A 107 -1.577 -13.801 -8.034 1.00 1.22 H new ATOM 0 HZ3 LYS A 107 -3.128 -14.284 -7.539 1.00 1.22 H new ATOM 1644 N LEU A 108 -4.579 -8.310 -6.662 1.00 0.30 N ATOM 1645 CA LEU A 108 -4.603 -6.939 -6.168 1.00 0.28 C ATOM 1646 C LEU A 108 -3.308 -6.245 -6.555 1.00 0.27 C ATOM 1647 O LEU A 108 -2.246 -6.525 -5.995 1.00 0.29 O ATOM 1648 CB LEU A 108 -4.783 -6.935 -4.639 1.00 0.29 C ATOM 1649 CG LEU A 108 -5.154 -5.596 -3.952 1.00 0.34 C ATOM 1650 CD1 LEU A 108 -5.287 -4.447 -4.938 1.00 0.82 C ATOM 1651 CD2 LEU A 108 -6.445 -5.738 -3.168 1.00 0.76 C ATOM 0 H LEU A 108 -4.182 -8.983 -6.006 1.00 0.30 H new ATOM 0 HA LEU A 108 -5.441 -6.403 -6.613 1.00 0.28 H new ATOM 0 HB2 LEU A 108 -5.557 -7.662 -4.392 1.00 0.29 H new ATOM 0 HB3 LEU A 108 -3.855 -7.293 -4.193 1.00 0.29 H new ATOM 0 HG LEU A 108 -4.332 -5.359 -3.276 1.00 0.34 H new ATOM 0 HD11 LEU A 108 -5.548 -3.535 -4.401 1.00 0.82 H new ATOM 0 HD12 LEU A 108 -4.340 -4.303 -5.459 1.00 0.82 H new ATOM 0 HD13 LEU A 108 -6.068 -4.678 -5.662 1.00 0.82 H new ATOM 0 HD21 LEU A 108 -6.689 -4.788 -2.693 1.00 0.76 H new ATOM 0 HD22 LEU A 108 -7.251 -6.023 -3.844 1.00 0.76 H new ATOM 0 HD23 LEU A 108 -6.324 -6.505 -2.403 1.00 0.76 H new ATOM 1663 N VAL A 109 -3.401 -5.360 -7.525 1.00 0.28 N ATOM 1664 CA VAL A 109 -2.249 -4.617 -7.985 1.00 0.29 C ATOM 1665 C VAL A 109 -2.372 -3.155 -7.559 1.00 0.29 C ATOM 1666 O VAL A 109 -3.284 -2.442 -7.975 1.00 0.33 O ATOM 1667 CB VAL A 109 -2.067 -4.732 -9.521 1.00 0.30 C ATOM 1668 CG1 VAL A 109 -3.367 -4.434 -10.258 1.00 0.33 C ATOM 1669 CG2 VAL A 109 -0.949 -3.820 -10.007 1.00 0.32 C ATOM 0 H VAL A 109 -4.269 -5.137 -8.012 1.00 0.28 H new ATOM 0 HA VAL A 109 -1.360 -5.049 -7.525 1.00 0.29 H new ATOM 0 HB VAL A 109 -1.787 -5.762 -9.743 1.00 0.30 H new ATOM 0 HG11 VAL A 109 -3.205 -4.523 -11.332 1.00 0.33 H new ATOM 0 HG12 VAL A 109 -4.133 -5.144 -9.946 1.00 0.33 H new ATOM 0 HG13 VAL A 109 -3.694 -3.421 -10.023 1.00 0.33 H new ATOM 0 HG21 VAL A 109 -0.842 -3.920 -11.087 1.00 0.32 H new ATOM 0 HG22 VAL A 109 -1.190 -2.786 -9.760 1.00 0.32 H new ATOM 0 HG23 VAL A 109 -0.014 -4.101 -9.522 1.00 0.32 H new ATOM 1679 N GLU A 110 -1.471 -2.731 -6.688 1.00 0.28 N ATOM 1680 CA GLU A 110 -1.485 -1.364 -6.202 1.00 0.30 C ATOM 1681 C GLU A 110 -0.407 -0.543 -6.897 1.00 0.28 C ATOM 1682 O GLU A 110 0.754 -0.955 -6.973 1.00 0.34 O ATOM 1683 CB GLU A 110 -1.306 -1.340 -4.684 1.00 0.34 C ATOM 1684 CG GLU A 110 -2.526 -1.847 -3.924 1.00 0.71 C ATOM 1685 CD GLU A 110 -2.280 -1.953 -2.434 1.00 1.02 C ATOM 1686 OE1 GLU A 110 -1.778 -0.977 -1.842 1.00 1.69 O ATOM 1687 OE2 GLU A 110 -2.541 -3.029 -1.853 1.00 1.45 O ATOM 0 H GLU A 110 -0.725 -3.312 -6.305 1.00 0.28 H new ATOM 0 HA GLU A 110 -2.451 -0.916 -6.435 1.00 0.30 H new ATOM 0 HB2 GLU A 110 -0.442 -1.949 -4.418 1.00 0.34 H new ATOM 0 HB3 GLU A 110 -1.087 -0.320 -4.367 1.00 0.34 H new ATOM 0 HG2 GLU A 110 -3.366 -1.176 -4.103 1.00 0.71 H new ATOM 0 HG3 GLU A 110 -2.811 -2.825 -4.312 1.00 0.71 H new ATOM 1694 N ILE A 111 -0.811 0.598 -7.431 1.00 0.26 N ATOM 1695 CA ILE A 111 0.099 1.487 -8.133 1.00 0.24 C ATOM 1696 C ILE A 111 0.352 2.746 -7.306 1.00 0.25 C ATOM 1697 O ILE A 111 -0.581 3.340 -6.767 1.00 0.30 O ATOM 1698 CB ILE A 111 -0.457 1.885 -9.525 1.00 0.26 C ATOM 1699 CG1 ILE A 111 -0.455 0.696 -10.487 1.00 0.29 C ATOM 1700 CG2 ILE A 111 0.346 3.023 -10.125 1.00 0.29 C ATOM 1701 CD1 ILE A 111 -1.750 -0.089 -10.498 1.00 0.37 C ATOM 0 H ILE A 111 -1.774 0.932 -7.390 1.00 0.26 H new ATOM 0 HA ILE A 111 1.036 0.950 -8.278 1.00 0.24 H new ATOM 0 HB ILE A 111 -1.486 2.213 -9.378 1.00 0.26 H new ATOM 0 HG12 ILE A 111 -0.253 1.058 -11.495 1.00 0.29 H new ATOM 0 HG13 ILE A 111 0.362 0.026 -10.219 1.00 0.29 H new ATOM 0 HG21 ILE A 111 -0.064 3.283 -11.101 1.00 0.29 H new ATOM 0 HG22 ILE A 111 0.295 3.891 -9.467 1.00 0.29 H new ATOM 0 HG23 ILE A 111 1.385 2.715 -10.239 1.00 0.29 H new ATOM 0 HD11 ILE A 111 -1.669 -0.915 -11.205 1.00 0.37 H new ATOM 0 HD12 ILE A 111 -1.945 -0.483 -9.501 1.00 0.37 H new ATOM 0 HD13 ILE A 111 -2.569 0.565 -10.797 1.00 0.37 H new ATOM 1713 N SER A 112 1.612 3.131 -7.194 1.00 0.23 N ATOM 1714 CA SER A 112 1.999 4.318 -6.451 1.00 0.24 C ATOM 1715 C SER A 112 2.866 5.208 -7.327 1.00 0.22 C ATOM 1716 O SER A 112 3.985 4.843 -7.683 1.00 0.25 O ATOM 1717 CB SER A 112 2.750 3.932 -5.176 1.00 0.28 C ATOM 1718 OG SER A 112 1.954 3.100 -4.351 1.00 0.37 O ATOM 0 H SER A 112 2.395 2.630 -7.615 1.00 0.23 H new ATOM 0 HA SER A 112 1.101 4.865 -6.164 1.00 0.24 H new ATOM 0 HB2 SER A 112 3.674 3.416 -5.436 1.00 0.28 H new ATOM 0 HB3 SER A 112 3.031 4.832 -4.628 1.00 0.28 H new ATOM 0 HG SER A 112 2.048 3.379 -3.416 1.00 0.37 H new ATOM 1724 N THR A 113 2.331 6.349 -7.716 1.00 0.22 N ATOM 1725 CA THR A 113 3.067 7.279 -8.550 1.00 0.22 C ATOM 1726 C THR A 113 3.678 8.383 -7.704 1.00 0.23 C ATOM 1727 O THR A 113 3.001 8.961 -6.856 1.00 0.26 O ATOM 1728 CB THR A 113 2.153 7.909 -9.608 1.00 0.25 C ATOM 1729 OG1 THR A 113 1.057 7.025 -9.877 1.00 0.27 O ATOM 1730 CG2 THR A 113 2.919 8.187 -10.893 1.00 0.27 C ATOM 0 H THR A 113 1.390 6.654 -7.468 1.00 0.22 H new ATOM 0 HA THR A 113 3.858 6.719 -9.049 1.00 0.22 H new ATOM 0 HB THR A 113 1.777 8.857 -9.224 1.00 0.25 H new ATOM 0 HG1 THR A 113 0.471 7.427 -10.552 1.00 0.27 H new ATOM 0 HG21 THR A 113 2.248 8.634 -11.627 1.00 0.27 H new ATOM 0 HG22 THR A 113 3.740 8.874 -10.686 1.00 0.27 H new ATOM 0 HG23 THR A 113 3.319 7.253 -11.288 1.00 0.27 H new ATOM 1738 N SER A 114 4.953 8.655 -7.919 1.00 0.25 N ATOM 1739 CA SER A 114 5.647 9.692 -7.180 1.00 0.30 C ATOM 1740 C SER A 114 6.716 10.331 -8.047 1.00 0.29 C ATOM 1741 O SER A 114 7.673 9.673 -8.461 1.00 0.30 O ATOM 1742 CB SER A 114 6.265 9.118 -5.904 1.00 0.38 C ATOM 1743 OG SER A 114 5.262 8.578 -5.064 1.00 1.43 O ATOM 0 H SER A 114 5.531 8.168 -8.604 1.00 0.25 H new ATOM 0 HA SER A 114 4.925 10.459 -6.897 1.00 0.30 H new ATOM 0 HB2 SER A 114 6.988 8.344 -6.160 1.00 0.38 H new ATOM 0 HB3 SER A 114 6.809 9.899 -5.374 1.00 0.38 H new ATOM 0 HG SER A 114 5.276 9.040 -4.200 1.00 1.43 H new ATOM 1749 N SER A 115 6.517 11.609 -8.343 1.00 0.37 N ATOM 1750 CA SER A 115 7.446 12.386 -9.154 1.00 0.47 C ATOM 1751 C SER A 115 7.632 11.779 -10.547 1.00 0.47 C ATOM 1752 O SER A 115 8.678 11.953 -11.171 1.00 0.57 O ATOM 1753 CB SER A 115 8.795 12.508 -8.440 1.00 0.54 C ATOM 1754 OG SER A 115 8.612 12.658 -7.044 1.00 0.63 O ATOM 0 H SER A 115 5.704 12.138 -8.026 1.00 0.37 H new ATOM 0 HA SER A 115 7.019 13.380 -9.286 1.00 0.47 H new ATOM 0 HB2 SER A 115 9.399 11.623 -8.639 1.00 0.54 H new ATOM 0 HB3 SER A 115 9.344 13.363 -8.834 1.00 0.54 H new ATOM 0 HG SER A 115 7.877 13.284 -6.876 1.00 0.63 H new ATOM 1760 N GLY A 116 6.615 11.072 -11.031 1.00 0.42 N ATOM 1761 CA GLY A 116 6.690 10.470 -12.350 1.00 0.46 C ATOM 1762 C GLY A 116 6.987 8.982 -12.310 1.00 0.40 C ATOM 1763 O GLY A 116 6.719 8.264 -13.278 1.00 0.46 O ATOM 0 H GLY A 116 5.740 10.905 -10.533 1.00 0.42 H new ATOM 0 HA2 GLY A 116 5.746 10.632 -12.871 1.00 0.46 H new ATOM 0 HA3 GLY A 116 7.464 10.973 -12.929 1.00 0.46 H new ATOM 1767 N VAL A 117 7.538 8.510 -11.201 1.00 0.33 N ATOM 1768 CA VAL A 117 7.861 7.096 -11.065 1.00 0.29 C ATOM 1769 C VAL A 117 6.625 6.308 -10.658 1.00 0.28 C ATOM 1770 O VAL A 117 6.014 6.586 -9.626 1.00 0.29 O ATOM 1771 CB VAL A 117 8.988 6.852 -10.037 1.00 0.30 C ATOM 1772 CG1 VAL A 117 9.248 5.362 -9.868 1.00 0.52 C ATOM 1773 CG2 VAL A 117 10.257 7.566 -10.469 1.00 0.53 C ATOM 0 H VAL A 117 7.770 9.080 -10.387 1.00 0.33 H new ATOM 0 HA VAL A 117 8.214 6.754 -12.038 1.00 0.29 H new ATOM 0 HB VAL A 117 8.671 7.254 -9.075 1.00 0.30 H new ATOM 0 HG11 VAL A 117 10.045 5.212 -9.140 1.00 0.52 H new ATOM 0 HG12 VAL A 117 8.340 4.872 -9.518 1.00 0.52 H new ATOM 0 HG13 VAL A 117 9.546 4.934 -10.825 1.00 0.52 H new ATOM 0 HG21 VAL A 117 11.043 7.386 -9.736 1.00 0.53 H new ATOM 0 HG22 VAL A 117 10.574 7.189 -11.441 1.00 0.53 H new ATOM 0 HG23 VAL A 117 10.066 8.637 -10.540 1.00 0.53 H new ATOM 1783 N VAL A 118 6.249 5.346 -11.488 1.00 0.27 N ATOM 1784 CA VAL A 118 5.089 4.513 -11.225 1.00 0.27 C ATOM 1785 C VAL A 118 5.504 3.186 -10.605 1.00 0.25 C ATOM 1786 O VAL A 118 6.077 2.326 -11.270 1.00 0.29 O ATOM 1787 CB VAL A 118 4.293 4.238 -12.512 1.00 0.29 C ATOM 1788 CG1 VAL A 118 3.052 3.413 -12.214 1.00 0.97 C ATOM 1789 CG2 VAL A 118 3.918 5.543 -13.185 1.00 0.86 C ATOM 0 H VAL A 118 6.736 5.123 -12.356 1.00 0.27 H new ATOM 0 HA VAL A 118 4.455 5.059 -10.526 1.00 0.27 H new ATOM 0 HB VAL A 118 4.924 3.664 -13.191 1.00 0.29 H new ATOM 0 HG11 VAL A 118 2.505 3.231 -13.139 1.00 0.97 H new ATOM 0 HG12 VAL A 118 3.346 2.460 -11.773 1.00 0.97 H new ATOM 0 HG13 VAL A 118 2.414 3.955 -11.516 1.00 0.97 H new ATOM 0 HG21 VAL A 118 3.355 5.335 -14.095 1.00 0.86 H new ATOM 0 HG22 VAL A 118 3.306 6.139 -12.508 1.00 0.86 H new ATOM 0 HG23 VAL A 118 4.823 6.096 -13.437 1.00 0.86 H new ATOM 1799 N TYR A 119 5.222 3.040 -9.328 1.00 0.22 N ATOM 1800 CA TYR A 119 5.549 1.822 -8.600 1.00 0.21 C ATOM 1801 C TYR A 119 4.365 0.863 -8.624 1.00 0.22 C ATOM 1802 O TYR A 119 3.260 1.227 -8.229 1.00 0.29 O ATOM 1803 CB TYR A 119 5.916 2.172 -7.159 1.00 0.22 C ATOM 1804 CG TYR A 119 6.043 0.984 -6.234 1.00 0.21 C ATOM 1805 CD1 TYR A 119 7.001 0.003 -6.449 1.00 1.21 C ATOM 1806 CD2 TYR A 119 5.204 0.849 -5.132 1.00 1.17 C ATOM 1807 CE1 TYR A 119 7.118 -1.080 -5.600 1.00 1.22 C ATOM 1808 CE2 TYR A 119 5.317 -0.229 -4.277 1.00 1.20 C ATOM 1809 CZ TYR A 119 6.276 -1.191 -4.516 1.00 0.34 C ATOM 1810 OH TYR A 119 6.390 -2.269 -3.665 1.00 0.43 O ATOM 0 H TYR A 119 4.762 3.755 -8.764 1.00 0.22 H new ATOM 0 HA TYR A 119 6.399 1.335 -9.078 1.00 0.21 H new ATOM 0 HB2 TYR A 119 6.860 2.717 -7.161 1.00 0.22 H new ATOM 0 HB3 TYR A 119 5.159 2.847 -6.759 1.00 0.22 H new ATOM 0 HD1 TYR A 119 7.667 0.088 -7.295 1.00 1.21 H new ATOM 0 HD2 TYR A 119 4.452 1.600 -4.942 1.00 1.17 H new ATOM 0 HE1 TYR A 119 7.866 -1.836 -5.785 1.00 1.22 H new ATOM 0 HE2 TYR A 119 4.658 -0.319 -3.426 1.00 1.20 H new ATOM 0 HH TYR A 119 7.332 -2.526 -3.587 1.00 0.43 H new ATOM 1820 N LYS A 120 4.585 -0.344 -9.118 1.00 0.21 N ATOM 1821 CA LYS A 120 3.534 -1.342 -9.183 1.00 0.23 C ATOM 1822 C LYS A 120 3.916 -2.587 -8.412 1.00 0.24 C ATOM 1823 O LYS A 120 5.068 -2.995 -8.411 1.00 0.29 O ATOM 1824 CB LYS A 120 3.272 -1.746 -10.626 1.00 0.28 C ATOM 1825 CG LYS A 120 2.756 -0.626 -11.485 1.00 0.31 C ATOM 1826 CD LYS A 120 2.908 -0.963 -12.948 1.00 0.46 C ATOM 1827 CE LYS A 120 2.497 0.192 -13.829 1.00 0.87 C ATOM 1828 NZ LYS A 120 3.509 0.445 -14.886 1.00 1.17 N ATOM 0 H LYS A 120 5.486 -0.656 -9.481 1.00 0.21 H new ATOM 0 HA LYS A 120 2.640 -0.897 -8.745 1.00 0.23 H new ATOM 0 HB2 LYS A 120 4.196 -2.128 -11.060 1.00 0.28 H new ATOM 0 HB3 LYS A 120 2.551 -2.564 -10.640 1.00 0.28 H new ATOM 0 HG2 LYS A 120 1.707 -0.440 -11.257 1.00 0.31 H new ATOM 0 HG3 LYS A 120 3.299 0.292 -11.260 1.00 0.31 H new ATOM 0 HD2 LYS A 120 3.945 -1.229 -13.155 1.00 0.46 H new ATOM 0 HD3 LYS A 120 2.301 -1.837 -13.186 1.00 0.46 H new ATOM 0 HE2 LYS A 120 1.532 -0.023 -14.289 1.00 0.87 H new ATOM 0 HE3 LYS A 120 2.368 1.088 -13.222 1.00 0.87 H new ATOM 0 HZ1 LYS A 120 3.508 1.455 -15.133 1.00 1.17 H new ATOM 0 HZ2 LYS A 120 4.451 0.174 -14.537 1.00 1.17 H new ATOM 0 HZ3 LYS A 120 3.278 -0.117 -15.730 1.00 1.17 H new ATOM 1842 N ARG A 121 2.954 -3.164 -7.733 1.00 0.25 N ATOM 1843 CA ARG A 121 3.187 -4.402 -7.001 1.00 0.28 C ATOM 1844 C ARG A 121 1.934 -5.253 -6.993 1.00 0.28 C ATOM 1845 O ARG A 121 0.890 -4.848 -6.477 1.00 0.34 O ATOM 1846 CB ARG A 121 3.674 -4.144 -5.572 1.00 0.36 C ATOM 1847 CG ARG A 121 2.993 -2.983 -4.876 1.00 0.59 C ATOM 1848 CD ARG A 121 2.933 -3.203 -3.374 1.00 0.84 C ATOM 1849 NE ARG A 121 1.815 -4.068 -3.004 1.00 1.20 N ATOM 1850 CZ ARG A 121 0.694 -3.627 -2.435 1.00 1.59 C ATOM 1851 NH1 ARG A 121 0.599 -2.360 -2.044 1.00 1.88 N ATOM 1852 NH2 ARG A 121 -0.322 -4.459 -2.234 1.00 2.48 N ATOM 0 H ARG A 121 2.002 -2.803 -7.667 1.00 0.25 H new ATOM 0 HA ARG A 121 3.980 -4.943 -7.518 1.00 0.28 H new ATOM 0 HB2 ARG A 121 3.520 -5.047 -4.981 1.00 0.36 H new ATOM 0 HB3 ARG A 121 4.748 -3.958 -5.596 1.00 0.36 H new ATOM 0 HG2 ARG A 121 3.532 -2.060 -5.090 1.00 0.59 H new ATOM 0 HG3 ARG A 121 1.984 -2.861 -5.269 1.00 0.59 H new ATOM 0 HD2 ARG A 121 3.867 -3.648 -3.033 1.00 0.84 H new ATOM 0 HD3 ARG A 121 2.834 -2.243 -2.868 1.00 0.84 H new ATOM 0 HE ARG A 121 1.898 -5.067 -3.192 1.00 1.20 H new ATOM 0 HH11 ARG A 121 1.385 -1.724 -2.180 1.00 1.88 H new ATOM 0 HH12 ARG A 121 -0.260 -2.024 -1.609 1.00 1.88 H new ATOM 0 HH21 ARG A 121 -0.244 -5.436 -2.515 1.00 2.48 H new ATOM 0 HH22 ARG A 121 -1.180 -4.120 -1.798 1.00 2.48 H new ATOM 1866 N THR A 122 2.039 -6.424 -7.584 1.00 0.27 N ATOM 1867 CA THR A 122 0.913 -7.340 -7.647 1.00 0.27 C ATOM 1868 C THR A 122 0.899 -8.236 -6.415 1.00 0.25 C ATOM 1869 O THR A 122 1.949 -8.681 -5.948 1.00 0.29 O ATOM 1870 CB THR A 122 0.961 -8.206 -8.924 1.00 0.31 C ATOM 1871 OG1 THR A 122 1.082 -7.365 -10.083 1.00 0.43 O ATOM 1872 CG2 THR A 122 -0.291 -9.060 -9.054 1.00 0.34 C ATOM 0 H THR A 122 2.891 -6.767 -8.028 1.00 0.27 H new ATOM 0 HA THR A 122 -0.000 -6.746 -7.675 1.00 0.27 H new ATOM 0 HB THR A 122 1.827 -8.864 -8.851 1.00 0.31 H new ATOM 0 HG1 THR A 122 1.114 -7.921 -10.889 1.00 0.43 H new ATOM 0 HG21 THR A 122 -0.230 -9.659 -9.962 1.00 0.34 H new ATOM 0 HG22 THR A 122 -0.374 -9.719 -8.189 1.00 0.34 H new ATOM 0 HG23 THR A 122 -1.168 -8.415 -9.104 1.00 0.34 H new ATOM 1880 N SER A 123 -0.287 -8.469 -5.875 1.00 0.24 N ATOM 1881 CA SER A 123 -0.442 -9.309 -4.698 1.00 0.23 C ATOM 1882 C SER A 123 -1.510 -10.376 -4.942 1.00 0.23 C ATOM 1883 O SER A 123 -2.574 -10.082 -5.496 1.00 0.25 O ATOM 1884 CB SER A 123 -0.823 -8.442 -3.495 1.00 0.25 C ATOM 1885 OG SER A 123 -0.322 -7.118 -3.636 1.00 0.38 O ATOM 0 H SER A 123 -1.161 -8.086 -6.236 1.00 0.24 H new ATOM 0 HA SER A 123 0.503 -9.811 -4.492 1.00 0.23 H new ATOM 0 HB2 SER A 123 -1.908 -8.414 -3.392 1.00 0.25 H new ATOM 0 HB3 SER A 123 -0.428 -8.888 -2.582 1.00 0.25 H new ATOM 0 HG SER A 123 -0.883 -6.622 -4.268 1.00 0.38 H new ATOM 1891 N LYS A 124 -1.223 -11.611 -4.546 1.00 0.23 N ATOM 1892 CA LYS A 124 -2.168 -12.707 -4.736 1.00 0.25 C ATOM 1893 C LYS A 124 -3.206 -12.734 -3.616 1.00 0.22 C ATOM 1894 O LYS A 124 -2.941 -12.281 -2.505 1.00 0.21 O ATOM 1895 CB LYS A 124 -1.429 -14.050 -4.819 1.00 0.29 C ATOM 1896 CG LYS A 124 -0.844 -14.526 -3.494 1.00 0.31 C ATOM 1897 CD LYS A 124 0.068 -15.732 -3.681 1.00 0.43 C ATOM 1898 CE LYS A 124 0.792 -16.101 -2.391 1.00 0.61 C ATOM 1899 NZ LYS A 124 -0.071 -16.873 -1.458 1.00 1.45 N ATOM 0 H LYS A 124 -0.349 -11.878 -4.094 1.00 0.23 H new ATOM 0 HA LYS A 124 -2.691 -12.542 -5.678 1.00 0.25 H new ATOM 0 HB2 LYS A 124 -2.118 -14.808 -5.192 1.00 0.29 H new ATOM 0 HB3 LYS A 124 -0.624 -13.964 -5.549 1.00 0.29 H new ATOM 0 HG2 LYS A 124 -0.283 -13.714 -3.031 1.00 0.31 H new ATOM 0 HG3 LYS A 124 -1.653 -14.784 -2.811 1.00 0.31 H new ATOM 0 HD2 LYS A 124 -0.521 -16.583 -4.023 1.00 0.43 H new ATOM 0 HD3 LYS A 124 0.800 -15.517 -4.460 1.00 0.43 H new ATOM 0 HE2 LYS A 124 1.679 -16.687 -2.630 1.00 0.61 H new ATOM 0 HE3 LYS A 124 1.134 -15.192 -1.897 1.00 0.61 H new ATOM 0 HZ1 LYS A 124 -0.113 -16.386 -0.540 1.00 1.45 H new ATOM 0 HZ2 LYS A 124 -1.030 -16.948 -1.854 1.00 1.45 H new ATOM 0 HZ3 LYS A 124 0.325 -17.826 -1.327 1.00 1.45 H new ATOM 1913 N LYS A 125 -4.383 -13.273 -3.921 1.00 0.24 N ATOM 1914 CA LYS A 125 -5.470 -13.353 -2.952 1.00 0.23 C ATOM 1915 C LYS A 125 -5.475 -14.705 -2.248 1.00 0.25 C ATOM 1916 O LYS A 125 -5.464 -15.754 -2.893 1.00 0.31 O ATOM 1917 CB LYS A 125 -6.828 -13.125 -3.641 1.00 0.27 C ATOM 1918 CG LYS A 125 -7.905 -12.541 -2.731 1.00 0.29 C ATOM 1919 CD LYS A 125 -8.379 -13.544 -1.689 1.00 0.38 C ATOM 1920 CE LYS A 125 -9.831 -13.949 -1.896 1.00 0.39 C ATOM 1921 NZ LYS A 125 -10.085 -14.433 -3.278 1.00 1.45 N ATOM 0 H LYS A 125 -4.608 -13.662 -4.836 1.00 0.24 H new ATOM 0 HA LYS A 125 -5.310 -12.571 -2.209 1.00 0.23 H new ATOM 0 HB2 LYS A 125 -6.684 -12.456 -4.489 1.00 0.27 H new ATOM 0 HB3 LYS A 125 -7.183 -14.075 -4.041 1.00 0.27 H new ATOM 0 HG2 LYS A 125 -7.514 -11.655 -2.230 1.00 0.29 H new ATOM 0 HG3 LYS A 125 -8.753 -12.218 -3.335 1.00 0.29 H new ATOM 0 HD2 LYS A 125 -7.747 -14.431 -1.729 1.00 0.38 H new ATOM 0 HD3 LYS A 125 -8.262 -13.114 -0.694 1.00 0.38 H new ATOM 0 HE2 LYS A 125 -10.094 -14.732 -1.184 1.00 0.39 H new ATOM 0 HE3 LYS A 125 -10.478 -13.097 -1.686 1.00 0.39 H new ATOM 0 HZ1 LYS A 125 -10.886 -15.097 -3.272 1.00 1.45 H new ATOM 0 HZ2 LYS A 125 -10.310 -13.625 -3.893 1.00 1.45 H new ATOM 0 HZ3 LYS A 125 -9.237 -14.917 -3.638 1.00 1.45 H new ATOM 1935 N ILE A 126 -5.486 -14.662 -0.926 1.00 0.24 N ATOM 1936 CA ILE A 126 -5.508 -15.859 -0.105 1.00 0.28 C ATOM 1937 C ILE A 126 -6.335 -15.597 1.144 1.00 0.30 C ATOM 1938 O ILE A 126 -6.704 -14.455 1.415 1.00 0.28 O ATOM 1939 CB ILE A 126 -4.093 -16.326 0.333 1.00 0.29 C ATOM 1940 CG1 ILE A 126 -2.978 -15.639 -0.465 1.00 0.28 C ATOM 1941 CG2 ILE A 126 -3.968 -17.833 0.194 1.00 0.35 C ATOM 1942 CD1 ILE A 126 -2.485 -14.351 0.151 1.00 0.27 C ATOM 0 H ILE A 126 -5.480 -13.793 -0.392 1.00 0.24 H new ATOM 0 HA ILE A 126 -5.943 -16.650 -0.716 1.00 0.28 H new ATOM 0 HB ILE A 126 -3.974 -16.041 1.378 1.00 0.29 H new ATOM 0 HG12 ILE A 126 -2.139 -16.327 -0.563 1.00 0.28 H new ATOM 0 HG13 ILE A 126 -3.340 -15.433 -1.472 1.00 0.28 H new ATOM 0 HG21 ILE A 126 -2.971 -18.146 0.505 1.00 0.35 H new ATOM 0 HG22 ILE A 126 -4.713 -18.319 0.823 1.00 0.35 H new ATOM 0 HG23 ILE A 126 -4.130 -18.117 -0.846 1.00 0.35 H new ATOM 0 HD11 ILE A 126 -1.698 -13.927 -0.473 1.00 0.27 H new ATOM 0 HD12 ILE A 126 -3.311 -13.643 0.224 1.00 0.27 H new ATOM 0 HD13 ILE A 126 -2.090 -14.552 1.147 1.00 0.27 H new ATOM 1954 N ALA A 127 -6.677 -16.646 1.875 1.00 0.38 N ATOM 1955 CA ALA A 127 -7.437 -16.482 3.103 1.00 0.44 C ATOM 1956 C ALA A 127 -6.801 -17.298 4.220 1.00 0.67 C ATOM 1957 O ALA A 127 -6.768 -18.545 4.102 1.00 1.27 O ATOM 1958 CB ALA A 127 -8.899 -16.867 2.907 1.00 0.46 C ATOM 0 H ALA A 127 -6.443 -17.611 1.642 1.00 0.38 H new ATOM 0 HA ALA A 127 -7.416 -15.429 3.383 1.00 0.44 H new ATOM 0 HB1 ALA A 127 -9.439 -16.733 3.844 1.00 0.46 H new ATOM 0 HB2 ALA A 127 -9.342 -16.233 2.139 1.00 0.46 H new ATOM 0 HB3 ALA A 127 -8.962 -17.910 2.598 1.00 0.46 H new TER 1964 ALA A 127 HETATM 1965 C1 CHO A 200 6.350 -0.220 -0.449 1.00 0.35 C HETATM 1966 C2 CHO A 200 4.954 -0.441 0.137 1.00 0.40 C HETATM 1967 C3 CHO A 200 4.123 0.839 0.027 1.00 0.45 C HETATM 1968 O3 CHO A 200 2.830 0.615 0.597 1.00 0.51 O HETATM 1969 C4 CHO A 200 4.827 1.963 0.792 1.00 0.41 C HETATM 1970 C5 CHO A 200 6.225 2.189 0.210 1.00 0.37 C HETATM 1971 C6 CHO A 200 6.907 3.336 0.956 1.00 0.37 C HETATM 1972 C7 CHO A 200 7.139 2.938 2.415 1.00 0.33 C HETATM 1973 O7 CHO A 200 5.880 2.704 3.050 1.00 0.37 O HETATM 1974 C8 CHO A 200 7.984 1.666 2.493 1.00 0.25 C HETATM 1975 C9 CHO A 200 7.275 0.528 1.753 1.00 0.27 C HETATM 1976 C10 CHO A 200 7.068 0.914 0.287 1.00 0.31 C HETATM 1977 C11 CHO A 200 8.068 -0.777 1.872 1.00 0.25 C HETATM 1978 C12 CHO A 200 8.326 -1.151 3.335 1.00 0.23 C HETATM 1979 C13 CHO A 200 9.070 0.001 4.011 1.00 0.21 C HETATM 1980 C14 CHO A 200 8.202 1.254 3.949 1.00 0.23 C HETATM 1981 C15 CHO A 200 9.051 2.221 4.773 1.00 0.25 C HETATM 1982 C16 CHO A 200 9.517 1.349 5.943 1.00 0.24 C HETATM 1983 C17 CHO A 200 9.180 -0.089 5.532 1.00 0.23 C HETATM 1984 C18 CHO A 200 10.432 0.255 3.366 1.00 0.22 C HETATM 1985 C19 CHO A 200 8.426 1.168 -0.371 1.00 0.32 C HETATM 1986 C20 CHO A 200 10.227 -1.095 6.019 1.00 0.27 C HETATM 1987 C21 CHO A 200 9.813 -2.524 5.660 1.00 0.31 C HETATM 1988 C22 CHO A 200 10.419 -0.964 7.531 1.00 0.34 C HETATM 1989 C23 CHO A 200 11.421 -1.996 8.056 1.00 0.41 C HETATM 1990 C24 CHO A 200 11.719 -1.757 9.538 1.00 0.54 C HETATM 1991 O24 CHO A 200 11.750 -0.616 9.998 1.00 0.86 O HETATM 1992 N25 CHO A 200 11.926 -2.855 10.261 1.00 0.47 N HETATM 1993 C26 CHO A 200 12.233 -2.786 11.699 1.00 0.58 C HETATM 1994 C27 CHO A 200 11.035 -3.268 12.518 1.00 1.20 C HETATM 1995 OT1 CHO A 200 10.074 -2.479 12.643 1.00 2.01 O HETATM 1996 OT2 CHO A 200 11.109 -4.412 13.021 1.00 1.99 O HETATM 0 H262 CHO A 200 13.106 -3.400 11.922 1.00 0.58 H new HETATM 0 H261 CHO A 200 12.484 -1.762 11.976 1.00 0.58 H new HETATM 0 H232 CHO A 200 11.022 -3.001 7.918 1.00 0.41 H new HETATM 0 H231 CHO A 200 12.345 -1.938 7.480 1.00 0.41 H new HETATM 0 H222 CHO A 200 10.769 0.040 7.770 1.00 0.34 H new HETATM 0 H221 CHO A 200 9.461 -1.095 8.034 1.00 0.34 H new HETATM 0 H213 CHO A 200 8.857 -2.755 6.131 1.00 0.31 H new HETATM 0 H212 CHO A 200 9.716 -2.614 4.578 1.00 0.31 H new HETATM 0 H211 CHO A 200 10.571 -3.222 6.015 1.00 0.31 H new HETATM 0 H193 CHO A 200 9.030 0.262 -0.320 1.00 0.32 H new HETATM 0 H192 CHO A 200 8.278 1.448 -1.414 1.00 0.32 H new HETATM 0 H191 CHO A 200 8.938 1.975 0.152 1.00 0.32 H new HETATM 0 H183 CHO A 200 11.046 -0.642 3.447 1.00 0.22 H new HETATM 0 H182 CHO A 200 10.295 0.507 2.314 1.00 0.22 H new HETATM 0 H181 CHO A 200 10.928 1.081 3.876 1.00 0.22 H new HETATM 0 H162 CHO A 200 10.586 1.467 6.121 1.00 0.24 H new HETATM 0 H161 CHO A 200 9.008 1.624 6.867 1.00 0.24 H new HETATM 0 H152 CHO A 200 9.892 2.611 4.199 1.00 0.25 H new HETATM 0 H151 CHO A 200 8.472 3.079 5.113 1.00 0.25 H new HETATM 0 H122 CHO A 200 7.384 -1.345 3.847 1.00 0.23 H new HETATM 0 H121 CHO A 200 8.914 -2.067 3.393 1.00 0.23 H new HETATM 0 H112 CHO A 200 7.520 -1.582 1.382 1.00 0.25 H new HETATM 0 H111 CHO A 200 9.019 -0.674 1.349 1.00 0.25 H new HETATM 0 HOT CHO A 200 10.603 -4.434 13.860 1.00 1.99 H new HETATM 0 HO7 CHO A 200 5.821 3.241 3.868 1.00 0.37 H new HETATM 0 HO3 CHO A 200 2.296 1.434 0.529 1.00 0.51 H new HETATM 0 HN CHO A 200 11.871 -3.767 9.807 1.00 0.47 H new HETATM 0 H9 CHO A 200 6.300 0.363 2.211 1.00 0.27 H new HETATM 0 H8 CHO A 200 8.950 1.866 2.030 1.00 0.25 H new HETATM 0 H7 CHO A 200 7.667 3.747 2.919 1.00 0.33 H new HETATM 0 H62 CHO A 200 7.857 3.578 0.480 1.00 0.37 H new HETATM 0 H61 CHO A 200 6.289 4.232 0.908 1.00 0.37 H new HETATM 0 H5 CHO A 200 6.129 2.453 -0.843 1.00 0.37 H new HETATM 0 H42 CHO A 200 4.243 2.881 0.727 1.00 0.41 H new HETATM 0 H41 CHO A 200 4.900 1.706 1.849 1.00 0.41 H new HETATM 0 H3 CHO A 200 4.016 1.119 -1.021 1.00 0.45 H new HETATM 0 H22 CHO A 200 4.455 -1.253 -0.391 1.00 0.40 H new HETATM 0 H21 CHO A 200 5.034 -0.742 1.182 1.00 0.40 H new HETATM 0 H20 CHO A 200 11.172 -0.877 5.522 1.00 0.27 H new HETATM 0 H17 CHO A 200 8.262 -0.464 5.984 1.00 0.23 H new HETATM 0 H14 CHO A 200 7.186 1.170 4.334 1.00 0.23 H new HETATM 0 H12 CHO A 200 6.933 -1.138 -0.371 1.00 0.35 H new HETATM 0 H11 CHO A 200 6.272 0.019 -1.510 1.00 0.35 H new HETATM 2039 C1 CHO A 201 -5.116 4.147 0.351 1.00 0.22 C HETATM 2040 C2 CHO A 201 -4.862 2.884 -0.473 1.00 0.26 C HETATM 2041 C3 CHO A 201 -5.288 1.641 0.311 1.00 0.29 C HETATM 2042 O3 CHO A 201 -5.016 0.476 -0.471 1.00 0.35 O HETATM 2043 C4 CHO A 201 -4.500 1.571 1.622 1.00 0.29 C HETATM 2044 C5 CHO A 201 -4.764 2.832 2.449 1.00 0.25 C HETATM 2045 C6 CHO A 201 -4.013 2.740 3.779 1.00 0.28 C HETATM 2046 C7 CHO A 201 -2.505 2.739 3.521 1.00 0.27 C HETATM 2047 O7 CHO A 201 -2.149 1.570 2.777 1.00 0.30 O HETATM 2048 C8 CHO A 201 -2.090 3.982 2.732 1.00 0.21 C HETATM 2049 C9 CHO A 201 -2.843 4.037 1.400 1.00 0.21 C HETATM 2050 C10 CHO A 201 -4.347 4.085 1.675 1.00 0.21 C HETATM 2051 C11 CHO A 201 -2.411 5.256 0.576 1.00 0.21 C HETATM 2052 C12 CHO A 201 -0.894 5.316 0.384 1.00 0.22 C HETATM 2053 C13 CHO A 201 -0.229 5.286 1.758 1.00 0.20 C HETATM 2054 C14 CHO A 201 -0.590 3.976 2.448 1.00 0.23 C HETATM 2055 C15 CHO A 201 0.302 4.091 3.682 1.00 0.26 C HETATM 2056 C16 CHO A 201 1.646 4.373 3.004 1.00 0.27 C HETATM 2057 C17 CHO A 201 1.297 5.183 1.749 1.00 0.24 C HETATM 2058 C18 CHO A 201 -0.687 6.462 2.621 1.00 0.19 C HETATM 2059 C19 CHO A 201 -4.667 5.327 2.511 1.00 0.22 C HETATM 2060 C20 CHO A 201 1.948 6.570 1.762 1.00 0.24 C HETATM 2061 C21 CHO A 201 1.580 7.365 0.507 1.00 0.27 C HETATM 2062 C22 CHO A 201 3.467 6.451 1.899 1.00 0.28 C HETATM 2063 C23 CHO A 201 4.118 7.833 1.982 1.00 0.32 C HETATM 2064 C24 CHO A 201 5.612 7.726 2.298 1.00 0.37 C HETATM 2065 O24 CHO A 201 6.330 8.726 2.303 1.00 0.67 O HETATM 2066 N25 CHO A 201 6.045 6.495 2.561 1.00 0.31 N HETATM 2067 C26 CHO A 201 7.449 6.214 2.892 1.00 0.33 C HETATM 2068 C27 CHO A 201 7.540 5.713 4.336 1.00 0.50 C HETATM 2069 OT1 CHO A 201 8.088 6.469 5.165 1.00 1.23 O HETATM 2070 OT2 CHO A 201 7.056 4.590 4.584 1.00 1.08 O HETATM 0 H262 CHO A 201 7.852 5.466 2.210 1.00 0.33 H new HETATM 0 H261 CHO A 201 8.050 7.115 2.769 1.00 0.33 H new HETATM 0 H232 CHO A 201 3.981 8.359 1.037 1.00 0.32 H new HETATM 0 H231 CHO A 201 3.623 8.425 2.752 1.00 0.32 H new HETATM 0 H222 CHO A 201 3.712 5.875 2.792 1.00 0.28 H new HETATM 0 H221 CHO A 201 3.871 5.905 1.047 1.00 0.28 H new HETATM 0 H213 CHO A 201 1.923 6.828 -0.377 1.00 0.27 H new HETATM 0 H212 CHO A 201 0.498 7.489 0.459 1.00 0.27 H new HETATM 0 H211 CHO A 201 2.056 8.345 0.544 1.00 0.27 H new HETATM 0 H193 CHO A 201 -4.372 6.221 1.962 1.00 0.22 H new HETATM 0 H192 CHO A 201 -5.737 5.363 2.715 1.00 0.22 H new HETATM 0 H191 CHO A 201 -4.120 5.283 3.453 1.00 0.22 H new HETATM 0 H183 CHO A 201 -0.424 7.398 2.129 1.00 0.19 H new HETATM 0 H182 CHO A 201 -1.767 6.414 2.757 1.00 0.19 H new HETATM 0 H181 CHO A 201 -0.196 6.413 3.593 1.00 0.19 H new HETATM 0 H162 CHO A 201 2.310 4.933 3.663 1.00 0.27 H new HETATM 0 H161 CHO A 201 2.159 3.447 2.746 1.00 0.27 H new HETATM 0 H152 CHO A 201 -0.007 4.897 4.348 1.00 0.26 H new HETATM 0 H151 CHO A 201 0.316 3.176 4.274 1.00 0.26 H new HETATM 0 H122 CHO A 201 -0.555 4.474 -0.219 1.00 0.22 H new HETATM 0 H121 CHO A 201 -0.616 6.224 -0.151 1.00 0.22 H new HETATM 0 H112 CHO A 201 -2.898 5.225 -0.399 1.00 0.21 H new HETATM 0 H111 CHO A 201 -2.749 6.166 1.072 1.00 0.21 H new HETATM 0 HOT CHO A 201 6.731 4.571 5.508 1.00 1.08 H new HETATM 0 HO7 CHO A 201 -1.234 1.304 3.004 1.00 0.30 H new HETATM 0 HO3 CHO A 201 -4.680 -0.237 0.111 1.00 0.35 H new HETATM 0 HN CHO A 201 5.381 5.722 2.532 1.00 0.31 H new HETATM 0 H9 CHO A 201 -2.606 3.144 0.821 1.00 0.21 H new HETATM 0 H8 CHO A 201 -2.335 4.855 3.336 1.00 0.21 H new HETATM 0 H7 CHO A 201 -1.989 2.743 4.481 1.00 0.27 H new HETATM 0 H62 CHO A 201 -4.282 3.581 4.418 1.00 0.28 H new HETATM 0 H61 CHO A 201 -4.302 1.832 4.309 1.00 0.28 H new HETATM 0 H5 CHO A 201 -5.833 2.906 2.651 1.00 0.25 H new HETATM 0 H42 CHO A 201 -4.793 0.686 2.187 1.00 0.29 H new HETATM 0 H41 CHO A 201 -3.434 1.478 1.413 1.00 0.29 H new HETATM 0 H3 CHO A 201 -6.354 1.694 0.531 1.00 0.29 H new HETATM 0 H22 CHO A 201 -5.414 2.937 -1.411 1.00 0.26 H new HETATM 0 H21 CHO A 201 -3.805 2.816 -0.729 1.00 0.26 H new HETATM 0 H20 CHO A 201 1.565 7.112 2.626 1.00 0.24 H new HETATM 0 H17 CHO A 201 1.672 4.701 0.846 1.00 0.24 H new HETATM 0 H14 CHO A 201 -0.429 3.042 1.909 1.00 0.23 H new HETATM 0 H12 CHO A 201 -4.808 5.026 -0.215 1.00 0.22 H new HETATM 0 H11 CHO A 201 -6.183 4.252 0.547 1.00 0.22 H new