USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 783 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 HIS : no HD1:sc= -1.77 K(o=-3.2,f=-3.9!) USER MOD Set 1.2: A 86 ASN : amide:sc= -1.4 K(o=-3.2,f=-8.7!) USER MOD Set 2.1: A 45 TYR OH : rot 19:sc= 0.945 USER MOD Set 2.2: A 66 SER OG : rot 70:sc= -1.74 USER MOD Set 3.1: A 42 LYS NZ :NH3+ -177:sc= -2.82! (180deg=-3.71!) USER MOD Set 3.2: A 58 THR OG1 : rot 180:sc= 0.317 USER MOD Set 4.1: A 36 THR OG1 : rot 49:sc= 0.564 USER MOD Set 4.2: A 38 ASN : amide:sc= 0.286 K(o=0.85,f=-2.2!) USER MOD Single : A 34 MET CE :methyl -128:sc= -0.0748 (180deg=-0.424) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.102 F(o=-2.3!,f=-0.1) USER MOD Single : A 40 THR OG1 : rot -67:sc= 0.358 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -22:sc= 0.199 USER MOD Single : A 62 TYR OH : rot 180:sc=-0.00267 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 37:sc= 0.194 USER MOD Single : A 69 LYS NZ :NH3+ -121:sc= 0.526! (180deg=-1.09!) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -171:sc=-0.00992 (180deg=-0.167) USER MOD Single : A 81 HIS : no HD1:sc= 0.521 K(o=0.52,f=-2.4!) USER MOD Single : A 82 ASN : amide:sc= 0.117 X(o=0.12,f=-0.038) USER MOD Single : A 84 THR OG1 : rot 32:sc= 0.207 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 135:sc= 0.796 USER MOD Single : A 96 TYR OH : rot 180:sc= -0.0811 USER MOD Single : A 98 TYR OH : rot -60:sc= -0.376 USER MOD Single : A 100 LYS NZ :NH3+ 168:sc= 1.59 (180deg=0.966!) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 79:sc= 0.0284 USER MOD Single : A 110 THR OG1 : rot 32:sc= 0.279 USER MOD Single : A 112 LYS NZ :NH3+ 159:sc= 1.17 (180deg=0.597) USER MOD Single : A 122 ASN : amide:sc= -0.934 K(o=-0.93,f=-9.5!) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 130 HIS : no HE2:sc= 0.932 K(o=0.93,f=-3!) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 133 HIS : no HD1:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=-0.00094) USER MOD Single : A 135 HIS : no HE2:sc= -0.437 K(o=-0.44,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 34 -11.046 6.454 -10.183 1.00 74.43 N ATOM 2 CA MET A 34 -12.452 6.799 -9.832 1.00 61.52 C ATOM 3 C MET A 34 -13.137 7.549 -10.989 1.00 43.23 C ATOM 4 O MET A 34 -12.861 8.726 -11.231 1.00 25.41 O ATOM 5 CB MET A 34 -12.475 7.647 -8.546 1.00 3.12 C ATOM 6 CG MET A 34 -13.845 7.743 -7.878 1.00 71.34 C ATOM 7 SD MET A 34 -15.087 8.579 -8.889 1.00 71.43 S ATOM 8 CE MET A 34 -14.436 10.250 -8.929 1.00 20.31 C ATOM 0 HA MET A 34 -13.006 5.877 -9.658 1.00 61.52 H new ATOM 0 HB2 MET A 34 -11.766 7.225 -7.834 1.00 3.12 H new ATOM 0 HB3 MET A 34 -12.128 8.653 -8.782 1.00 3.12 H new ATOM 0 HG2 MET A 34 -14.196 6.738 -7.643 1.00 71.34 H new ATOM 0 HG3 MET A 34 -13.742 8.274 -6.932 1.00 71.34 H new ATOM 0 HE1 MET A 34 -15.214 10.951 -8.628 1.00 20.31 H new ATOM 0 HE2 MET A 34 -13.592 10.328 -8.243 1.00 20.31 H new ATOM 0 HE3 MET A 34 -14.105 10.487 -9.940 1.00 20.31 H new ATOM 20 N ASP A 35 -14.003 6.853 -11.730 1.00 3.51 N ATOM 21 CA ASP A 35 -14.772 7.476 -12.816 1.00 42.34 C ATOM 22 C ASP A 35 -16.195 7.817 -12.343 1.00 70.15 C ATOM 23 O ASP A 35 -16.477 8.955 -11.969 1.00 0.52 O ATOM 24 CB ASP A 35 -14.804 6.553 -14.038 1.00 50.52 C ATOM 25 CG ASP A 35 -13.405 6.226 -14.533 1.00 44.52 C ATOM 26 OD1 ASP A 35 -12.810 5.241 -14.045 1.00 65.55 O ATOM 27 OD2 ASP A 35 -12.886 6.958 -15.402 1.00 13.33 O ATOM 0 H ASP A 35 -14.191 5.859 -11.600 1.00 3.51 H new ATOM 0 HA ASP A 35 -14.283 8.407 -13.104 1.00 42.34 H new ATOM 0 HB2 ASP A 35 -15.325 5.630 -13.783 1.00 50.52 H new ATOM 0 HB3 ASP A 35 -15.371 7.028 -14.838 1.00 50.52 H new ATOM 32 N THR A 36 -17.092 6.829 -12.347 1.00 54.33 N ATOM 33 CA THR A 36 -18.424 6.998 -11.752 1.00 52.12 C ATOM 34 C THR A 36 -18.487 6.267 -10.407 1.00 42.14 C ATOM 35 O THR A 36 -19.141 5.230 -10.269 1.00 34.43 O ATOM 36 CB THR A 36 -19.563 6.495 -12.682 1.00 14.33 C ATOM 37 OG1 THR A 36 -19.404 5.096 -12.966 1.00 41.34 O ATOM 38 CG2 THR A 36 -19.593 7.279 -13.991 1.00 70.31 C ATOM 0 H THR A 36 -16.924 5.908 -12.752 1.00 54.33 H new ATOM 0 HA THR A 36 -18.579 8.067 -11.605 1.00 52.12 H new ATOM 0 HB THR A 36 -20.506 6.651 -12.159 1.00 14.33 H new ATOM 0 HG1 THR A 36 -19.249 4.608 -12.130 1.00 41.34 H new ATOM 0 HG21 THR A 36 -20.400 6.905 -14.621 1.00 70.31 H new ATOM 0 HG22 THR A 36 -19.759 8.335 -13.779 1.00 70.31 H new ATOM 0 HG23 THR A 36 -18.642 7.158 -14.510 1.00 70.31 H new ATOM 46 N ASN A 37 -17.767 6.816 -9.420 1.00 10.50 N ATOM 47 CA ASN A 37 -17.579 6.173 -8.107 1.00 55.14 C ATOM 48 C ASN A 37 -16.635 4.967 -8.219 1.00 64.24 C ATOM 49 O ASN A 37 -15.510 5.011 -7.726 1.00 3.12 O ATOM 50 CB ASN A 37 -18.917 5.747 -7.474 1.00 5.34 C ATOM 51 CG ASN A 37 -19.789 6.916 -7.045 1.00 54.51 C ATOM 52 OD1 ASN A 37 -19.689 8.041 -7.732 1.00 45.23 O flip ATOM 53 ND2 ASN A 37 -20.559 6.806 -6.099 1.00 2.35 N flip ATOM 0 H ASN A 37 -17.298 7.717 -9.506 1.00 10.50 H new ATOM 0 HA ASN A 37 -17.126 6.916 -7.451 1.00 55.14 H new ATOM 0 HB2 ASN A 37 -19.469 5.136 -8.189 1.00 5.34 H new ATOM 0 HB3 ASN A 37 -18.715 5.118 -6.607 1.00 5.34 H new ATOM 0 HD21 ASN A 37 -20.615 5.926 -5.587 1.00 2.35 H new ATOM 0 HD22 ASN A 37 -21.144 7.595 -5.823 1.00 2.35 H new ATOM 60 N ASN A 38 -17.102 3.904 -8.878 1.00 14.30 N ATOM 61 CA ASN A 38 -16.325 2.667 -9.045 1.00 11.15 C ATOM 62 C ASN A 38 -15.600 2.265 -7.747 1.00 21.41 C ATOM 63 O ASN A 38 -14.398 2.506 -7.591 1.00 30.14 O ATOM 64 CB ASN A 38 -15.322 2.801 -10.203 1.00 73.31 C ATOM 65 CG ASN A 38 -16.006 3.021 -11.541 1.00 33.35 C ATOM 66 OD1 ASN A 38 -16.184 4.149 -11.993 1.00 63.01 O ATOM 67 ND2 ASN A 38 -16.416 1.943 -12.178 1.00 32.51 N ATOM 0 H ASN A 38 -18.025 3.873 -9.310 1.00 14.30 H new ATOM 0 HA ASN A 38 -17.032 1.873 -9.287 1.00 11.15 H new ATOM 0 HB2 ASN A 38 -14.648 3.634 -10.002 1.00 73.31 H new ATOM 0 HB3 ASN A 38 -14.709 1.901 -10.255 1.00 73.31 H new ATOM 0 HD21 ASN A 38 -16.897 2.032 -13.073 1.00 32.51 H new ATOM 0 HD22 ASN A 38 -16.253 1.020 -11.776 1.00 32.51 H new ATOM 74 N PHE A 39 -16.348 1.683 -6.812 1.00 0.51 N ATOM 75 CA PHE A 39 -15.809 1.290 -5.504 1.00 44.12 C ATOM 76 C PHE A 39 -14.583 0.369 -5.637 1.00 22.54 C ATOM 77 O PHE A 39 -14.704 -0.853 -5.738 1.00 20.03 O ATOM 78 CB PHE A 39 -16.903 0.621 -4.655 1.00 44.42 C ATOM 79 CG PHE A 39 -17.952 1.586 -4.148 1.00 25.25 C ATOM 80 CD1 PHE A 39 -18.823 2.223 -5.024 1.00 1.34 C ATOM 81 CD2 PHE A 39 -18.060 1.862 -2.791 1.00 60.21 C ATOM 82 CE1 PHE A 39 -19.778 3.107 -4.557 1.00 0.42 C ATOM 83 CE2 PHE A 39 -19.014 2.745 -2.320 1.00 52.44 C ATOM 84 CZ PHE A 39 -19.871 3.371 -3.204 1.00 24.33 C ATOM 0 H PHE A 39 -17.338 1.470 -6.934 1.00 0.51 H new ATOM 0 HA PHE A 39 -15.475 2.197 -5.000 1.00 44.12 H new ATOM 0 HB2 PHE A 39 -17.390 -0.152 -5.249 1.00 44.42 H new ATOM 0 HB3 PHE A 39 -16.437 0.124 -3.804 1.00 44.42 H new ATOM 0 HD1 PHE A 39 -18.753 2.025 -6.083 1.00 1.34 H new ATOM 0 HD2 PHE A 39 -17.390 1.380 -2.094 1.00 60.21 H new ATOM 0 HE1 PHE A 39 -20.451 3.591 -5.249 1.00 0.42 H new ATOM 0 HE2 PHE A 39 -19.089 2.945 -1.261 1.00 52.44 H new ATOM 0 HZ PHE A 39 -20.613 4.066 -2.838 1.00 24.33 H new ATOM 94 N THR A 40 -13.406 0.992 -5.662 1.00 61.10 N ATOM 95 CA THR A 40 -12.125 0.287 -5.767 1.00 62.21 C ATOM 96 C THR A 40 -11.148 0.765 -4.683 1.00 41.44 C ATOM 97 O THR A 40 -11.375 1.791 -4.033 1.00 10.01 O ATOM 98 CB THR A 40 -11.475 0.503 -7.158 1.00 22.23 C ATOM 99 OG1 THR A 40 -11.426 1.907 -7.468 1.00 64.53 O ATOM 100 CG2 THR A 40 -12.245 -0.237 -8.252 1.00 53.44 C ATOM 0 H THR A 40 -13.311 2.006 -5.610 1.00 61.10 H new ATOM 0 HA THR A 40 -12.332 -0.774 -5.631 1.00 62.21 H new ATOM 0 HB THR A 40 -10.462 0.101 -7.119 1.00 22.23 H new ATOM 0 HG1 THR A 40 -12.337 2.247 -7.591 1.00 64.53 H new ATOM 0 HG21 THR A 40 -11.764 -0.065 -9.215 1.00 53.44 H new ATOM 0 HG22 THR A 40 -12.250 -1.305 -8.034 1.00 53.44 H new ATOM 0 HG23 THR A 40 -13.270 0.131 -8.288 1.00 53.44 H new ATOM 108 N VAL A 41 -10.063 0.017 -4.487 1.00 41.23 N ATOM 109 CA VAL A 41 -9.063 0.355 -3.464 1.00 21.13 C ATOM 110 C VAL A 41 -7.657 0.541 -4.060 1.00 21.04 C ATOM 111 O VAL A 41 -7.025 -0.414 -4.506 1.00 1.33 O ATOM 112 CB VAL A 41 -9.007 -0.730 -2.358 1.00 21.32 C ATOM 113 CG1 VAL A 41 -7.899 -0.430 -1.345 1.00 24.23 C ATOM 114 CG2 VAL A 41 -10.358 -0.844 -1.657 1.00 2.13 C ATOM 0 H VAL A 41 -9.850 -0.826 -5.020 1.00 41.23 H new ATOM 0 HA VAL A 41 -9.379 1.304 -3.030 1.00 21.13 H new ATOM 0 HB VAL A 41 -8.777 -1.684 -2.832 1.00 21.32 H new ATOM 0 HG11 VAL A 41 -7.884 -1.208 -0.581 1.00 24.23 H new ATOM 0 HG12 VAL A 41 -6.936 -0.404 -1.856 1.00 24.23 H new ATOM 0 HG13 VAL A 41 -8.087 0.536 -0.876 1.00 24.23 H new ATOM 0 HG21 VAL A 41 -10.303 -1.610 -0.883 1.00 2.13 H new ATOM 0 HG22 VAL A 41 -10.614 0.113 -1.203 1.00 2.13 H new ATOM 0 HG23 VAL A 41 -11.123 -1.117 -2.384 1.00 2.13 H new ATOM 124 N LYS A 42 -7.178 1.777 -4.052 1.00 52.23 N ATOM 125 CA LYS A 42 -5.813 2.096 -4.481 1.00 75.21 C ATOM 126 C LYS A 42 -4.792 1.672 -3.411 1.00 71.44 C ATOM 127 O LYS A 42 -4.999 1.889 -2.225 1.00 61.41 O ATOM 128 CB LYS A 42 -5.709 3.611 -4.766 1.00 25.34 C ATOM 129 CG LYS A 42 -4.296 4.199 -4.683 1.00 23.34 C ATOM 130 CD LYS A 42 -3.349 3.665 -5.759 1.00 22.02 C ATOM 131 CE LYS A 42 -3.661 4.207 -7.154 1.00 64.11 C ATOM 132 NZ LYS A 42 -4.880 3.604 -7.754 1.00 33.32 N ATOM 0 H LYS A 42 -7.718 2.588 -3.750 1.00 52.23 H new ATOM 0 HA LYS A 42 -5.586 1.543 -5.393 1.00 75.21 H new ATOM 0 HB2 LYS A 42 -6.107 3.804 -5.762 1.00 25.34 H new ATOM 0 HB3 LYS A 42 -6.347 4.141 -4.059 1.00 25.34 H new ATOM 0 HG2 LYS A 42 -4.357 5.284 -4.770 1.00 23.34 H new ATOM 0 HG3 LYS A 42 -3.877 3.981 -3.701 1.00 23.34 H new ATOM 0 HD2 LYS A 42 -2.324 3.926 -5.495 1.00 22.02 H new ATOM 0 HD3 LYS A 42 -3.406 2.577 -5.777 1.00 22.02 H new ATOM 0 HE2 LYS A 42 -3.788 5.288 -7.097 1.00 64.11 H new ATOM 0 HE3 LYS A 42 -2.810 4.020 -7.809 1.00 64.11 H new ATOM 0 HZ1 LYS A 42 -5.011 3.972 -8.718 1.00 33.32 H new ATOM 0 HZ2 LYS A 42 -4.774 2.570 -7.790 1.00 33.32 H new ATOM 0 HZ3 LYS A 42 -5.709 3.847 -7.175 1.00 33.32 H new ATOM 146 N VAL A 43 -3.703 1.048 -3.834 1.00 1.52 N ATOM 147 CA VAL A 43 -2.624 0.674 -2.917 1.00 62.24 C ATOM 148 C VAL A 43 -1.311 1.361 -3.317 1.00 41.24 C ATOM 149 O VAL A 43 -0.764 1.101 -4.389 1.00 61.42 O ATOM 150 CB VAL A 43 -2.404 -0.858 -2.882 1.00 53.51 C ATOM 151 CG1 VAL A 43 -1.361 -1.221 -1.826 1.00 41.10 C ATOM 152 CG2 VAL A 43 -3.722 -1.593 -2.632 1.00 31.14 C ATOM 0 H VAL A 43 -3.538 0.787 -4.806 1.00 1.52 H new ATOM 0 HA VAL A 43 -2.924 1.004 -1.922 1.00 62.24 H new ATOM 0 HB VAL A 43 -2.028 -1.175 -3.855 1.00 53.51 H new ATOM 0 HG11 VAL A 43 -1.217 -2.301 -1.813 1.00 41.10 H new ATOM 0 HG12 VAL A 43 -0.416 -0.732 -2.064 1.00 41.10 H new ATOM 0 HG13 VAL A 43 -1.704 -0.889 -0.846 1.00 41.10 H new ATOM 0 HG21 VAL A 43 -3.541 -2.668 -2.612 1.00 31.14 H new ATOM 0 HG22 VAL A 43 -4.139 -1.277 -1.676 1.00 31.14 H new ATOM 0 HG23 VAL A 43 -4.426 -1.359 -3.430 1.00 31.14 H new ATOM 162 N GLU A 44 -0.808 2.235 -2.451 1.00 53.21 N ATOM 163 CA GLU A 44 0.421 2.984 -2.729 1.00 23.44 C ATOM 164 C GLU A 44 1.612 2.435 -1.937 1.00 0.21 C ATOM 165 O GLU A 44 1.496 2.103 -0.755 1.00 41.14 O ATOM 166 CB GLU A 44 0.236 4.472 -2.395 1.00 53.42 C ATOM 167 CG GLU A 44 -0.699 5.219 -3.340 1.00 62.45 C ATOM 168 CD GLU A 44 -0.841 6.693 -2.983 1.00 65.32 C ATOM 169 OE1 GLU A 44 0.177 7.327 -2.616 1.00 32.10 O ATOM 170 OE2 GLU A 44 -1.964 7.228 -3.088 1.00 71.45 O ATOM 0 H GLU A 44 -1.231 2.445 -1.547 1.00 53.21 H new ATOM 0 HA GLU A 44 0.630 2.870 -3.793 1.00 23.44 H new ATOM 0 HB2 GLU A 44 -0.149 4.558 -1.379 1.00 53.42 H new ATOM 0 HB3 GLU A 44 1.211 4.959 -2.409 1.00 53.42 H new ATOM 0 HG2 GLU A 44 -0.325 5.131 -4.360 1.00 62.45 H new ATOM 0 HG3 GLU A 44 -1.682 4.748 -3.320 1.00 62.45 H new ATOM 177 N TYR A 45 2.755 2.345 -2.602 1.00 11.54 N ATOM 178 CA TYR A 45 4.001 1.918 -1.967 1.00 12.32 C ATOM 179 C TYR A 45 4.984 3.088 -1.965 1.00 33.24 C ATOM 180 O TYR A 45 5.661 3.355 -2.961 1.00 2.21 O ATOM 181 CB TYR A 45 4.574 0.702 -2.703 1.00 72.32 C ATOM 182 CG TYR A 45 3.580 -0.443 -2.782 1.00 11.54 C ATOM 183 CD1 TYR A 45 2.627 -0.491 -3.795 1.00 33.23 C ATOM 184 CD2 TYR A 45 3.575 -1.456 -1.834 1.00 34.03 C ATOM 185 CE1 TYR A 45 1.702 -1.512 -3.855 1.00 72.00 C ATOM 186 CE2 TYR A 45 2.656 -2.485 -1.892 1.00 50.32 C ATOM 187 CZ TYR A 45 1.719 -2.509 -2.904 1.00 32.20 C ATOM 188 OH TYR A 45 0.797 -3.530 -2.962 1.00 21.43 O ATOM 0 H TYR A 45 2.848 2.564 -3.594 1.00 11.54 H new ATOM 0 HA TYR A 45 3.815 1.620 -0.935 1.00 12.32 H new ATOM 0 HB2 TYR A 45 4.868 0.995 -3.711 1.00 72.32 H new ATOM 0 HB3 TYR A 45 5.476 0.363 -2.193 1.00 72.32 H new ATOM 0 HD1 TYR A 45 2.612 0.284 -4.547 1.00 33.23 H new ATOM 0 HD2 TYR A 45 4.303 -1.439 -1.036 1.00 34.03 H new ATOM 0 HE1 TYR A 45 0.966 -1.530 -4.645 1.00 72.00 H new ATOM 0 HE2 TYR A 45 2.671 -3.268 -1.148 1.00 50.32 H new ATOM 0 HH TYR A 45 0.411 -3.572 -3.862 1.00 21.43 H new ATOM 198 N VAL A 46 5.035 3.802 -0.849 1.00 23.24 N ATOM 199 CA VAL A 46 5.678 5.115 -0.804 1.00 30.30 C ATOM 200 C VAL A 46 6.841 5.190 0.196 1.00 35.52 C ATOM 201 O VAL A 46 6.931 4.411 1.148 1.00 35.03 O ATOM 202 CB VAL A 46 4.641 6.216 -0.447 1.00 15.03 C ATOM 203 CG1 VAL A 46 3.517 6.270 -1.482 1.00 33.14 C ATOM 204 CG2 VAL A 46 4.071 5.994 0.954 1.00 43.21 C ATOM 0 H VAL A 46 4.639 3.497 0.040 1.00 23.24 H new ATOM 0 HA VAL A 46 6.088 5.280 -1.801 1.00 30.30 H new ATOM 0 HB VAL A 46 5.158 7.176 -0.458 1.00 15.03 H new ATOM 0 HG11 VAL A 46 2.806 7.049 -1.207 1.00 33.14 H new ATOM 0 HG12 VAL A 46 3.936 6.492 -2.463 1.00 33.14 H new ATOM 0 HG13 VAL A 46 3.006 5.308 -1.515 1.00 33.14 H new ATOM 0 HG21 VAL A 46 3.348 6.777 1.181 1.00 43.21 H new ATOM 0 HG22 VAL A 46 3.579 5.022 0.997 1.00 43.21 H new ATOM 0 HG23 VAL A 46 4.879 6.024 1.685 1.00 43.21 H new ATOM 214 N ASP A 47 7.738 6.137 -0.056 1.00 54.14 N ATOM 215 CA ASP A 47 8.803 6.491 0.879 1.00 55.34 C ATOM 216 C ASP A 47 8.229 7.329 2.050 1.00 23.41 C ATOM 217 O ASP A 47 7.071 7.757 2.008 1.00 71.01 O ATOM 218 CB ASP A 47 9.894 7.254 0.108 1.00 32.33 C ATOM 219 CG ASP A 47 10.950 7.879 0.999 1.00 3.11 C ATOM 220 OD1 ASP A 47 11.932 7.198 1.344 1.00 23.34 O ATOM 221 OD2 ASP A 47 10.794 9.064 1.358 1.00 71.14 O ATOM 0 H ASP A 47 7.748 6.683 -0.917 1.00 54.14 H new ATOM 0 HA ASP A 47 9.244 5.594 1.315 1.00 55.34 H new ATOM 0 HB2 ASP A 47 10.379 6.570 -0.589 1.00 32.33 H new ATOM 0 HB3 ASP A 47 9.425 8.037 -0.488 1.00 32.33 H new ATOM 226 N ALA A 48 9.040 7.581 3.079 1.00 74.42 N ATOM 227 CA ALA A 48 8.574 8.257 4.305 1.00 73.40 C ATOM 228 C ALA A 48 8.082 9.707 4.085 1.00 62.33 C ATOM 229 O ALA A 48 7.595 10.344 5.023 1.00 42.14 O ATOM 230 CB ALA A 48 9.672 8.223 5.364 1.00 63.24 C ATOM 0 H ALA A 48 10.028 7.328 3.093 1.00 74.42 H new ATOM 0 HA ALA A 48 7.700 7.701 4.645 1.00 73.40 H new ATOM 0 HB1 ALA A 48 9.322 8.724 6.267 1.00 63.24 H new ATOM 0 HB2 ALA A 48 9.921 7.188 5.596 1.00 63.24 H new ATOM 0 HB3 ALA A 48 10.558 8.733 4.986 1.00 63.24 H new ATOM 236 N ASP A 49 8.200 10.232 2.865 1.00 22.11 N ATOM 237 CA ASP A 49 7.658 11.565 2.547 1.00 10.43 C ATOM 238 C ASP A 49 6.232 11.474 1.983 1.00 14.41 C ATOM 239 O ASP A 49 5.537 12.484 1.852 1.00 14.35 O ATOM 240 CB ASP A 49 8.561 12.295 1.547 1.00 22.53 C ATOM 241 CG ASP A 49 9.913 12.660 2.134 1.00 31.20 C ATOM 242 OD1 ASP A 49 9.962 13.080 3.310 1.00 22.42 O ATOM 243 OD2 ASP A 49 10.929 12.541 1.422 1.00 42.53 O ATOM 0 H ASP A 49 8.660 9.765 2.084 1.00 22.11 H new ATOM 0 HA ASP A 49 7.625 12.130 3.479 1.00 10.43 H new ATOM 0 HB2 ASP A 49 8.709 11.665 0.670 1.00 22.53 H new ATOM 0 HB3 ASP A 49 8.061 13.202 1.207 1.00 22.53 H new ATOM 248 N GLY A 50 5.804 10.258 1.661 1.00 12.20 N ATOM 249 CA GLY A 50 4.498 10.048 1.051 1.00 23.40 C ATOM 250 C GLY A 50 4.573 9.893 -0.467 1.00 71.03 C ATOM 251 O GLY A 50 3.574 9.597 -1.126 1.00 10.30 O ATOM 0 H GLY A 50 6.342 9.405 1.812 1.00 12.20 H new ATOM 0 HA2 GLY A 50 4.040 9.157 1.481 1.00 23.40 H new ATOM 0 HA3 GLY A 50 3.849 10.889 1.294 1.00 23.40 H new ATOM 255 N ALA A 51 5.766 10.082 -1.019 1.00 0.33 N ATOM 256 CA ALA A 51 5.990 9.937 -2.462 1.00 1.41 C ATOM 257 C ALA A 51 6.272 8.478 -2.820 1.00 2.11 C ATOM 258 O ALA A 51 7.111 7.832 -2.188 1.00 33.40 O ATOM 259 CB ALA A 51 7.144 10.826 -2.908 1.00 62.43 C ATOM 0 H ALA A 51 6.600 10.337 -0.490 1.00 0.33 H new ATOM 0 HA ALA A 51 5.086 10.249 -2.985 1.00 1.41 H new ATOM 0 HB1 ALA A 51 7.300 10.709 -3.980 1.00 62.43 H new ATOM 0 HB2 ALA A 51 6.908 11.867 -2.687 1.00 62.43 H new ATOM 0 HB3 ALA A 51 8.051 10.539 -2.376 1.00 62.43 H new ATOM 265 N GLU A 52 5.571 7.955 -3.823 1.00 53.40 N ATOM 266 CA GLU A 52 5.724 6.549 -4.209 1.00 11.12 C ATOM 267 C GLU A 52 7.154 6.209 -4.624 1.00 1.34 C ATOM 268 O GLU A 52 7.949 7.076 -4.986 1.00 30.25 O ATOM 269 CB GLU A 52 4.746 6.169 -5.333 1.00 73.42 C ATOM 270 CG GLU A 52 4.825 7.045 -6.581 1.00 0.34 C ATOM 271 CD GLU A 52 6.121 6.916 -7.371 1.00 32.33 C ATOM 272 OE1 GLU A 52 6.444 5.794 -7.811 1.00 21.33 O ATOM 273 OE2 GLU A 52 6.815 7.940 -7.561 1.00 12.04 O ATOM 0 H GLU A 52 4.895 8.477 -4.381 1.00 53.40 H new ATOM 0 HA GLU A 52 5.489 5.962 -3.321 1.00 11.12 H new ATOM 0 HB2 GLU A 52 4.932 5.134 -5.621 1.00 73.42 H new ATOM 0 HB3 GLU A 52 3.730 6.213 -4.940 1.00 73.42 H new ATOM 0 HG2 GLU A 52 3.990 6.796 -7.236 1.00 0.34 H new ATOM 0 HG3 GLU A 52 4.698 8.086 -6.285 1.00 0.34 H new ATOM 280 N ILE A 53 7.473 4.937 -4.542 1.00 40.03 N ATOM 281 CA ILE A 53 8.759 4.426 -5.000 1.00 44.24 C ATOM 282 C ILE A 53 8.572 3.173 -5.861 1.00 2.13 C ATOM 283 O ILE A 53 9.541 2.585 -6.352 1.00 71.33 O ATOM 284 CB ILE A 53 9.663 4.077 -3.799 1.00 62.53 C ATOM 285 CG1 ILE A 53 8.886 3.170 -2.828 1.00 34.21 C ATOM 286 CG2 ILE A 53 10.160 5.345 -3.103 1.00 40.43 C ATOM 287 CD1 ILE A 53 9.648 2.789 -1.587 1.00 70.43 C ATOM 0 H ILE A 53 6.854 4.223 -4.158 1.00 40.03 H new ATOM 0 HA ILE A 53 9.230 5.207 -5.597 1.00 44.24 H new ATOM 0 HB ILE A 53 10.544 3.541 -4.153 1.00 62.53 H new ATOM 0 HG12 ILE A 53 7.967 3.677 -2.534 1.00 34.21 H new ATOM 0 HG13 ILE A 53 8.595 2.261 -3.354 1.00 34.21 H new ATOM 0 HG21 ILE A 53 10.795 5.072 -2.260 1.00 40.43 H new ATOM 0 HG22 ILE A 53 10.732 5.947 -3.809 1.00 40.43 H new ATOM 0 HG23 ILE A 53 9.307 5.921 -2.743 1.00 40.43 H new ATOM 0 HD11 ILE A 53 9.026 2.150 -0.960 1.00 70.43 H new ATOM 0 HD12 ILE A 53 10.554 2.252 -1.867 1.00 70.43 H new ATOM 0 HD13 ILE A 53 9.916 3.689 -1.034 1.00 70.43 H new ATOM 299 N ALA A 54 7.315 2.783 -6.053 1.00 22.12 N ATOM 300 CA ALA A 54 6.994 1.492 -6.663 1.00 74.44 C ATOM 301 C ALA A 54 5.555 1.469 -7.211 1.00 74.22 C ATOM 302 O ALA A 54 4.673 2.142 -6.669 1.00 44.13 O ATOM 303 CB ALA A 54 7.194 0.374 -5.640 1.00 50.34 C ATOM 0 H ALA A 54 6.501 3.341 -5.796 1.00 22.12 H new ATOM 0 HA ALA A 54 7.668 1.335 -7.505 1.00 74.44 H new ATOM 0 HB1 ALA A 54 6.954 -0.586 -6.098 1.00 50.34 H new ATOM 0 HB2 ALA A 54 8.232 0.367 -5.306 1.00 50.34 H new ATOM 0 HB3 ALA A 54 6.539 0.542 -4.785 1.00 50.34 H new ATOM 309 N PRO A 55 5.304 0.692 -8.291 1.00 43.31 N ATOM 310 CA PRO A 55 3.975 0.584 -8.921 1.00 12.33 C ATOM 311 C PRO A 55 2.814 0.458 -7.927 1.00 14.43 C ATOM 312 O PRO A 55 2.758 -0.472 -7.109 1.00 40.13 O ATOM 313 CB PRO A 55 4.099 -0.682 -9.761 1.00 21.22 C ATOM 314 CG PRO A 55 5.530 -0.697 -10.172 1.00 62.24 C ATOM 315 CD PRO A 55 6.302 -0.133 -9.003 1.00 44.32 C ATOM 0 HA PRO A 55 3.733 1.485 -9.484 1.00 12.33 H new ATOM 0 HB2 PRO A 55 3.839 -1.571 -9.186 1.00 21.22 H new ATOM 0 HB3 PRO A 55 3.435 -0.655 -10.625 1.00 21.22 H new ATOM 0 HG2 PRO A 55 5.859 -1.710 -10.405 1.00 62.24 H new ATOM 0 HG3 PRO A 55 5.685 -0.097 -11.069 1.00 62.24 H new ATOM 0 HD2 PRO A 55 6.697 -0.924 -8.365 1.00 44.32 H new ATOM 0 HD3 PRO A 55 7.152 0.464 -9.334 1.00 44.32 H new ATOM 323 N SER A 56 1.880 1.390 -8.031 1.00 12.35 N ATOM 324 CA SER A 56 0.733 1.465 -7.122 1.00 34.11 C ATOM 325 C SER A 56 -0.473 0.706 -7.689 1.00 32.31 C ATOM 326 O SER A 56 -0.877 0.927 -8.831 1.00 12.30 O ATOM 327 CB SER A 56 0.367 2.929 -6.875 1.00 41.02 C ATOM 328 OG SER A 56 1.436 3.629 -6.252 1.00 33.24 O ATOM 0 H SER A 56 1.890 2.118 -8.745 1.00 12.35 H new ATOM 0 HA SER A 56 1.010 0.996 -6.178 1.00 34.11 H new ATOM 0 HB2 SER A 56 0.118 3.409 -7.821 1.00 41.02 H new ATOM 0 HB3 SER A 56 -0.522 2.983 -6.246 1.00 41.02 H new ATOM 0 HG SER A 56 1.175 4.563 -6.107 1.00 33.24 H new ATOM 334 N ASP A 57 -1.056 -0.171 -6.876 1.00 43.24 N ATOM 335 CA ASP A 57 -2.123 -1.071 -7.329 1.00 41.01 C ATOM 336 C ASP A 57 -3.525 -0.459 -7.186 1.00 22.20 C ATOM 337 O ASP A 57 -3.712 0.580 -6.555 1.00 70.02 O ATOM 338 CB ASP A 57 -2.070 -2.386 -6.547 1.00 54.03 C ATOM 339 CG ASP A 57 -0.726 -3.085 -6.677 1.00 24.12 C ATOM 340 OD1 ASP A 57 -0.300 -3.375 -7.815 1.00 41.14 O ATOM 341 OD2 ASP A 57 -0.083 -3.351 -5.643 1.00 22.00 O ATOM 0 H ASP A 57 -0.808 -0.281 -5.893 1.00 43.24 H new ATOM 0 HA ASP A 57 -1.948 -1.248 -8.390 1.00 41.01 H new ATOM 0 HB2 ASP A 57 -2.273 -2.188 -5.495 1.00 54.03 H new ATOM 0 HB3 ASP A 57 -2.857 -3.050 -6.904 1.00 54.03 H new ATOM 346 N THR A 58 -4.499 -1.111 -7.811 1.00 2.23 N ATOM 347 CA THR A 58 -5.914 -0.763 -7.649 1.00 14.14 C ATOM 348 C THR A 58 -6.770 -2.037 -7.589 1.00 24.12 C ATOM 349 O THR A 58 -7.010 -2.687 -8.606 1.00 14.44 O ATOM 350 CB THR A 58 -6.428 0.143 -8.796 1.00 64.21 C ATOM 351 OG1 THR A 58 -5.649 1.351 -8.864 1.00 43.34 O ATOM 352 CG2 THR A 58 -7.899 0.499 -8.598 1.00 52.44 C ATOM 0 H THR A 58 -4.335 -1.894 -8.444 1.00 2.23 H new ATOM 0 HA THR A 58 -6.002 -0.208 -6.715 1.00 14.14 H new ATOM 0 HB THR A 58 -6.325 -0.411 -9.729 1.00 64.21 H new ATOM 0 HG1 THR A 58 -5.982 1.914 -9.593 1.00 43.34 H new ATOM 0 HG21 THR A 58 -8.233 1.135 -9.418 1.00 52.44 H new ATOM 0 HG22 THR A 58 -8.495 -0.413 -8.581 1.00 52.44 H new ATOM 0 HG23 THR A 58 -8.021 1.030 -7.654 1.00 52.44 H new ATOM 360 N LEU A 59 -7.214 -2.394 -6.389 1.00 62.43 N ATOM 361 CA LEU A 59 -7.970 -3.632 -6.163 1.00 31.32 C ATOM 362 C LEU A 59 -9.472 -3.464 -6.459 1.00 13.33 C ATOM 363 O LEU A 59 -10.078 -2.450 -6.113 1.00 70.33 O ATOM 364 CB LEU A 59 -7.775 -4.095 -4.714 1.00 63.01 C ATOM 365 CG LEU A 59 -6.322 -4.417 -4.317 1.00 31.02 C ATOM 366 CD1 LEU A 59 -6.226 -4.737 -2.828 1.00 20.44 C ATOM 367 CD2 LEU A 59 -5.779 -5.572 -5.155 1.00 45.34 C ATOM 0 H LEU A 59 -7.064 -1.840 -5.546 1.00 62.43 H new ATOM 0 HA LEU A 59 -7.586 -4.382 -6.854 1.00 31.32 H new ATOM 0 HB2 LEU A 59 -8.153 -3.319 -4.048 1.00 63.01 H new ATOM 0 HB3 LEU A 59 -8.385 -4.983 -4.548 1.00 63.01 H new ATOM 0 HG LEU A 59 -5.711 -3.536 -4.514 1.00 31.02 H new ATOM 0 HD11 LEU A 59 -5.191 -4.961 -2.570 1.00 20.44 H new ATOM 0 HD12 LEU A 59 -6.567 -3.879 -2.249 1.00 20.44 H new ATOM 0 HD13 LEU A 59 -6.852 -5.600 -2.600 1.00 20.44 H new ATOM 0 HD21 LEU A 59 -4.751 -5.784 -4.860 1.00 45.34 H new ATOM 0 HD22 LEU A 59 -6.393 -6.458 -4.995 1.00 45.34 H new ATOM 0 HD23 LEU A 59 -5.804 -5.299 -6.210 1.00 45.34 H new ATOM 379 N THR A 60 -10.059 -4.473 -7.103 1.00 42.25 N ATOM 380 CA THR A 60 -11.506 -4.493 -7.392 1.00 71.33 C ATOM 381 C THR A 60 -12.259 -5.414 -6.415 1.00 11.03 C ATOM 382 O THR A 60 -13.490 -5.398 -6.340 1.00 30.13 O ATOM 383 CB THR A 60 -11.775 -4.966 -8.846 1.00 61.41 C ATOM 384 OG1 THR A 60 -13.186 -4.993 -9.124 1.00 35.43 O ATOM 385 CG2 THR A 60 -11.175 -6.350 -9.097 1.00 64.55 C ATOM 0 H THR A 60 -9.557 -5.295 -7.439 1.00 42.25 H new ATOM 0 HA THR A 60 -11.871 -3.473 -7.270 1.00 71.33 H new ATOM 0 HB THR A 60 -11.295 -4.251 -9.515 1.00 61.41 H new ATOM 0 HG1 THR A 60 -13.684 -5.055 -8.282 1.00 35.43 H new ATOM 0 HG21 THR A 60 -11.380 -6.655 -10.123 1.00 64.55 H new ATOM 0 HG22 THR A 60 -10.097 -6.314 -8.937 1.00 64.55 H new ATOM 0 HG23 THR A 60 -11.620 -7.070 -8.410 1.00 64.55 H new ATOM 393 N ASP A 61 -11.499 -6.210 -5.665 1.00 4.15 N ATOM 394 CA ASP A 61 -12.055 -7.191 -4.728 1.00 40.31 C ATOM 395 C ASP A 61 -12.713 -6.518 -3.512 1.00 51.23 C ATOM 396 O ASP A 61 -12.109 -5.659 -2.871 1.00 52.13 O ATOM 397 CB ASP A 61 -10.932 -8.120 -4.254 1.00 12.14 C ATOM 398 CG ASP A 61 -10.145 -8.710 -5.411 1.00 55.02 C ATOM 399 OD1 ASP A 61 -9.357 -7.968 -6.036 1.00 10.23 O ATOM 400 OD2 ASP A 61 -10.318 -9.910 -5.712 1.00 51.04 O ATOM 0 H ASP A 61 -10.479 -6.195 -5.688 1.00 4.15 H new ATOM 0 HA ASP A 61 -12.828 -7.757 -5.249 1.00 40.31 H new ATOM 0 HB2 ASP A 61 -10.256 -7.566 -3.603 1.00 12.14 H new ATOM 0 HB3 ASP A 61 -11.358 -8.927 -3.658 1.00 12.14 H new ATOM 405 N TYR A 62 -13.947 -6.927 -3.190 1.00 4.00 N ATOM 406 CA TYR A 62 -14.662 -6.409 -2.011 1.00 41.00 C ATOM 407 C TYR A 62 -13.801 -6.525 -0.743 1.00 73.03 C ATOM 408 O TYR A 62 -13.626 -5.560 -0.001 1.00 14.32 O ATOM 409 CB TYR A 62 -15.987 -7.162 -1.814 1.00 63.21 C ATOM 410 CG TYR A 62 -16.701 -6.818 -0.515 1.00 2.53 C ATOM 411 CD1 TYR A 62 -17.416 -5.632 -0.381 1.00 20.44 C ATOM 412 CD2 TYR A 62 -16.655 -7.681 0.579 1.00 71.10 C ATOM 413 CE1 TYR A 62 -18.059 -5.315 0.799 1.00 52.44 C ATOM 414 CE2 TYR A 62 -17.298 -7.370 1.761 1.00 40.44 C ATOM 415 CZ TYR A 62 -17.998 -6.185 1.867 1.00 31.33 C ATOM 416 OH TYR A 62 -18.633 -5.866 3.046 1.00 54.34 O ATOM 0 H TYR A 62 -14.473 -7.615 -3.728 1.00 4.00 H new ATOM 0 HA TYR A 62 -14.873 -5.354 -2.187 1.00 41.00 H new ATOM 0 HB2 TYR A 62 -16.649 -6.940 -2.651 1.00 63.21 H new ATOM 0 HB3 TYR A 62 -15.792 -8.234 -1.838 1.00 63.21 H new ATOM 0 HD1 TYR A 62 -17.469 -4.947 -1.215 1.00 20.44 H new ATOM 0 HD2 TYR A 62 -16.107 -8.608 0.501 1.00 71.10 H new ATOM 0 HE1 TYR A 62 -18.608 -4.389 0.885 1.00 52.44 H new ATOM 0 HE2 TYR A 62 -17.253 -8.051 2.598 1.00 40.44 H new ATOM 0 HH TYR A 62 -18.494 -6.585 3.697 1.00 54.34 H new ATOM 426 N HIS A 63 -13.291 -7.720 -0.487 1.00 32.34 N ATOM 427 CA HIS A 63 -12.337 -7.926 0.600 1.00 42.11 C ATOM 428 C HIS A 63 -10.921 -7.589 0.125 1.00 54.23 C ATOM 429 O HIS A 63 -10.192 -8.457 -0.366 1.00 50.11 O ATOM 430 CB HIS A 63 -12.402 -9.374 1.115 1.00 11.03 C ATOM 431 CG HIS A 63 -12.991 -9.508 2.483 1.00 70.13 C ATOM 432 ND1 HIS A 63 -13.570 -10.670 2.937 1.00 70.02 N ATOM 433 CD2 HIS A 63 -13.063 -8.632 3.513 1.00 65.32 C ATOM 434 CE1 HIS A 63 -13.969 -10.508 4.180 1.00 41.14 C ATOM 435 NE2 HIS A 63 -13.673 -9.285 4.557 1.00 54.43 N ATOM 0 H HIS A 63 -13.519 -8.563 -1.014 1.00 32.34 H new ATOM 0 HA HIS A 63 -12.600 -7.262 1.423 1.00 42.11 H new ATOM 0 HB2 HIS A 63 -12.990 -9.971 0.418 1.00 11.03 H new ATOM 0 HB3 HIS A 63 -11.395 -9.792 1.122 1.00 11.03 H new ATOM 0 HD2 HIS A 63 -12.708 -7.612 3.514 1.00 65.32 H new ATOM 0 HE1 HIS A 63 -14.458 -11.255 4.788 1.00 41.14 H new ATOM 0 HE2 HIS A 63 -13.865 -8.885 5.475 1.00 54.43 H new ATOM 444 N TYR A 64 -10.544 -6.321 0.246 1.00 72.42 N ATOM 445 CA TYR A 64 -9.235 -5.872 -0.220 1.00 33.25 C ATOM 446 C TYR A 64 -8.124 -6.276 0.762 1.00 42.51 C ATOM 447 O TYR A 64 -8.119 -5.876 1.928 1.00 43.22 O ATOM 448 CB TYR A 64 -9.231 -4.353 -0.484 1.00 21.02 C ATOM 449 CG TYR A 64 -9.491 -3.478 0.733 1.00 20.20 C ATOM 450 CD1 TYR A 64 -10.786 -3.111 1.089 1.00 53.44 C ATOM 451 CD2 TYR A 64 -8.441 -3.005 1.511 1.00 5.43 C ATOM 452 CE1 TYR A 64 -11.022 -2.304 2.188 1.00 12.53 C ATOM 453 CE2 TYR A 64 -8.672 -2.200 2.608 1.00 13.22 C ATOM 454 CZ TYR A 64 -9.962 -1.852 2.943 1.00 12.53 C ATOM 455 OH TYR A 64 -10.192 -1.047 4.039 1.00 4.31 O ATOM 0 H TYR A 64 -11.121 -5.589 0.660 1.00 72.42 H new ATOM 0 HA TYR A 64 -9.029 -6.371 -1.167 1.00 33.25 H new ATOM 0 HB2 TYR A 64 -8.266 -4.078 -0.909 1.00 21.02 H new ATOM 0 HB3 TYR A 64 -9.986 -4.131 -1.238 1.00 21.02 H new ATOM 0 HD1 TYR A 64 -11.619 -3.462 0.498 1.00 53.44 H new ATOM 0 HD2 TYR A 64 -7.427 -3.272 1.253 1.00 5.43 H new ATOM 0 HE1 TYR A 64 -12.033 -2.030 2.453 1.00 12.53 H new ATOM 0 HE2 TYR A 64 -7.843 -1.844 3.202 1.00 13.22 H new ATOM 0 HH TYR A 64 -9.338 -0.818 4.461 1.00 4.31 H new ATOM 465 N VAL A 65 -7.210 -7.112 0.285 1.00 24.41 N ATOM 466 CA VAL A 65 -6.056 -7.558 1.068 1.00 1.14 C ATOM 467 C VAL A 65 -4.771 -7.389 0.245 1.00 31.51 C ATOM 468 O VAL A 65 -4.560 -8.091 -0.749 1.00 23.51 O ATOM 469 CB VAL A 65 -6.210 -9.041 1.502 1.00 31.34 C ATOM 470 CG1 VAL A 65 -4.971 -9.526 2.253 1.00 73.02 C ATOM 471 CG2 VAL A 65 -7.469 -9.235 2.351 1.00 73.33 C ATOM 0 H VAL A 65 -7.245 -7.502 -0.657 1.00 24.41 H new ATOM 0 HA VAL A 65 -5.999 -6.944 1.967 1.00 1.14 H new ATOM 0 HB VAL A 65 -6.313 -9.643 0.599 1.00 31.34 H new ATOM 0 HG11 VAL A 65 -5.107 -10.567 2.545 1.00 73.02 H new ATOM 0 HG12 VAL A 65 -4.097 -9.441 1.607 1.00 73.02 H new ATOM 0 HG13 VAL A 65 -4.824 -8.916 3.144 1.00 73.02 H new ATOM 0 HG21 VAL A 65 -7.554 -10.282 2.642 1.00 73.33 H new ATOM 0 HG22 VAL A 65 -7.405 -8.614 3.245 1.00 73.33 H new ATOM 0 HG23 VAL A 65 -8.346 -8.947 1.772 1.00 73.33 H new ATOM 481 N SER A 66 -3.924 -6.447 0.649 1.00 34.43 N ATOM 482 CA SER A 66 -2.719 -6.111 -0.126 1.00 11.11 C ATOM 483 C SER A 66 -1.450 -6.765 0.434 1.00 31.35 C ATOM 484 O SER A 66 -1.451 -7.343 1.520 1.00 40.41 O ATOM 485 CB SER A 66 -2.523 -4.593 -0.181 1.00 51.32 C ATOM 486 OG SER A 66 -1.324 -4.261 -0.862 1.00 45.25 O ATOM 0 H SER A 66 -4.043 -5.902 1.503 1.00 34.43 H new ATOM 0 HA SER A 66 -2.879 -6.505 -1.129 1.00 11.11 H new ATOM 0 HB2 SER A 66 -3.372 -4.131 -0.685 1.00 51.32 H new ATOM 0 HB3 SER A 66 -2.495 -4.189 0.831 1.00 51.32 H new ATOM 0 HG SER A 66 -1.423 -4.464 -1.816 1.00 45.25 H new ATOM 492 N THR A 67 -0.358 -6.639 -0.319 1.00 62.02 N ATOM 493 CA THR A 67 0.940 -7.223 0.051 1.00 44.32 C ATOM 494 C THR A 67 2.069 -6.203 -0.127 1.00 43.04 C ATOM 495 O THR A 67 2.162 -5.558 -1.170 1.00 25.44 O ATOM 496 CB THR A 67 1.284 -8.454 -0.823 1.00 42.03 C ATOM 497 OG1 THR A 67 1.246 -8.095 -2.216 1.00 10.03 O ATOM 498 CG2 THR A 67 0.327 -9.613 -0.557 1.00 43.52 C ATOM 0 H THR A 67 -0.343 -6.130 -1.203 1.00 62.02 H new ATOM 0 HA THR A 67 0.854 -7.523 1.095 1.00 44.32 H new ATOM 0 HB THR A 67 2.290 -8.782 -0.560 1.00 42.03 H new ATOM 0 HG1 THR A 67 1.588 -7.184 -2.328 1.00 10.03 H new ATOM 0 HG21 THR A 67 0.598 -10.460 -1.187 1.00 43.52 H new ATOM 0 HG22 THR A 67 0.392 -9.905 0.491 1.00 43.52 H new ATOM 0 HG23 THR A 67 -0.693 -9.302 -0.785 1.00 43.52 H new ATOM 506 N PRO A 68 2.959 -6.057 0.869 1.00 64.31 N ATOM 507 CA PRO A 68 4.105 -5.142 0.760 1.00 32.24 C ATOM 508 C PRO A 68 5.121 -5.608 -0.298 1.00 10.11 C ATOM 509 O PRO A 68 5.859 -6.573 -0.084 1.00 40.32 O ATOM 510 CB PRO A 68 4.725 -5.168 2.166 1.00 42.45 C ATOM 511 CG PRO A 68 4.289 -6.469 2.755 1.00 30.43 C ATOM 512 CD PRO A 68 2.934 -6.765 2.165 1.00 32.44 C ATOM 0 HA PRO A 68 3.804 -4.144 0.441 1.00 32.24 H new ATOM 0 HB2 PRO A 68 5.812 -5.100 2.120 1.00 42.45 H new ATOM 0 HB3 PRO A 68 4.378 -4.327 2.766 1.00 42.45 H new ATOM 0 HG2 PRO A 68 4.999 -7.261 2.517 1.00 30.43 H new ATOM 0 HG3 PRO A 68 4.235 -6.406 3.842 1.00 30.43 H new ATOM 0 HD2 PRO A 68 2.779 -7.836 2.034 1.00 32.44 H new ATOM 0 HD3 PRO A 68 2.130 -6.402 2.805 1.00 32.44 H new ATOM 520 N LYS A 69 5.120 -4.944 -1.457 1.00 11.22 N ATOM 521 CA LYS A 69 6.054 -5.270 -2.541 1.00 43.52 C ATOM 522 C LYS A 69 7.515 -5.276 -2.060 1.00 74.31 C ATOM 523 O LYS A 69 7.992 -4.308 -1.466 1.00 52.02 O ATOM 524 CB LYS A 69 5.913 -4.279 -3.714 1.00 53.32 C ATOM 525 CG LYS A 69 4.649 -4.453 -4.557 1.00 34.54 C ATOM 526 CD LYS A 69 4.741 -3.627 -5.847 1.00 62.55 C ATOM 527 CE LYS A 69 3.595 -3.906 -6.819 1.00 54.41 C ATOM 528 NZ LYS A 69 2.327 -3.246 -6.419 1.00 41.42 N ATOM 0 H LYS A 69 4.483 -4.177 -1.670 1.00 11.22 H new ATOM 0 HA LYS A 69 5.795 -6.273 -2.880 1.00 43.52 H new ATOM 0 HB2 LYS A 69 5.930 -3.264 -3.317 1.00 53.32 H new ATOM 0 HB3 LYS A 69 6.782 -4.382 -4.364 1.00 53.32 H new ATOM 0 HG2 LYS A 69 4.511 -5.506 -4.802 1.00 34.54 H new ATOM 0 HG3 LYS A 69 3.776 -4.143 -3.982 1.00 34.54 H new ATOM 0 HD2 LYS A 69 4.745 -2.567 -5.593 1.00 62.55 H new ATOM 0 HD3 LYS A 69 5.689 -3.840 -6.341 1.00 62.55 H new ATOM 0 HE2 LYS A 69 3.878 -3.565 -7.815 1.00 54.41 H new ATOM 0 HE3 LYS A 69 3.434 -4.982 -6.884 1.00 54.41 H new ATOM 0 HZ1 LYS A 69 1.588 -3.966 -6.285 1.00 41.42 H new ATOM 0 HZ2 LYS A 69 2.471 -2.728 -5.529 1.00 41.42 H new ATOM 0 HZ3 LYS A 69 2.032 -2.581 -7.163 1.00 41.42 H new ATOM 542 N ASP A 70 8.219 -6.373 -2.330 1.00 13.54 N ATOM 543 CA ASP A 70 9.641 -6.483 -1.999 1.00 31.31 C ATOM 544 C ASP A 70 10.469 -5.538 -2.889 1.00 63.00 C ATOM 545 O ASP A 70 10.954 -5.926 -3.955 1.00 73.24 O ATOM 546 CB ASP A 70 10.099 -7.942 -2.166 1.00 43.32 C ATOM 547 CG ASP A 70 11.559 -8.162 -1.793 1.00 41.43 C ATOM 548 OD1 ASP A 70 11.904 -8.029 -0.603 1.00 14.03 O ATOM 549 OD2 ASP A 70 12.363 -8.505 -2.688 1.00 2.15 O ATOM 0 H ASP A 70 7.828 -7.202 -2.778 1.00 13.54 H new ATOM 0 HA ASP A 70 9.795 -6.188 -0.961 1.00 31.31 H new ATOM 0 HB2 ASP A 70 9.473 -8.585 -1.548 1.00 43.32 H new ATOM 0 HB3 ASP A 70 9.946 -8.247 -3.201 1.00 43.32 H new ATOM 554 N ILE A 71 10.584 -4.284 -2.459 1.00 35.13 N ATOM 555 CA ILE A 71 11.260 -3.242 -3.245 1.00 44.10 C ATOM 556 C ILE A 71 12.794 -3.325 -3.127 1.00 22.10 C ATOM 557 O ILE A 71 13.352 -3.154 -2.039 1.00 61.44 O ATOM 558 CB ILE A 71 10.788 -1.831 -2.807 1.00 60.32 C ATOM 559 CG1 ILE A 71 9.255 -1.729 -2.896 1.00 12.31 C ATOM 560 CG2 ILE A 71 11.451 -0.746 -3.661 1.00 52.45 C ATOM 561 CD1 ILE A 71 8.694 -0.414 -2.393 1.00 45.02 C ATOM 0 H ILE A 71 10.217 -3.958 -1.565 1.00 35.13 H new ATOM 0 HA ILE A 71 10.990 -3.413 -4.287 1.00 44.10 H new ATOM 0 HB ILE A 71 11.087 -1.675 -1.770 1.00 60.32 H new ATOM 0 HG12 ILE A 71 8.952 -1.868 -3.934 1.00 12.31 H new ATOM 0 HG13 ILE A 71 8.813 -2.544 -2.322 1.00 12.31 H new ATOM 0 HG21 ILE A 71 11.105 0.235 -3.336 1.00 52.45 H new ATOM 0 HG22 ILE A 71 12.534 -0.805 -3.548 1.00 52.45 H new ATOM 0 HG23 ILE A 71 11.187 -0.895 -4.708 1.00 52.45 H new ATOM 0 HD11 ILE A 71 7.608 -0.421 -2.489 1.00 45.02 H new ATOM 0 HD12 ILE A 71 8.965 -0.280 -1.346 1.00 45.02 H new ATOM 0 HD13 ILE A 71 9.105 0.406 -2.982 1.00 45.02 H new ATOM 573 N PRO A 72 13.504 -3.579 -4.250 1.00 2.22 N ATOM 574 CA PRO A 72 14.976 -3.623 -4.256 1.00 43.25 C ATOM 575 C PRO A 72 15.603 -2.282 -3.832 1.00 73.41 C ATOM 576 O PRO A 72 15.608 -1.317 -4.597 1.00 11.40 O ATOM 577 CB PRO A 72 15.329 -3.952 -5.718 1.00 3.01 C ATOM 578 CG PRO A 72 14.082 -4.533 -6.298 1.00 74.24 C ATOM 579 CD PRO A 72 12.943 -3.850 -5.589 1.00 42.22 C ATOM 0 HA PRO A 72 15.362 -4.353 -3.544 1.00 43.25 H new ATOM 0 HB2 PRO A 72 15.636 -3.058 -6.260 1.00 3.01 H new ATOM 0 HB3 PRO A 72 16.157 -4.659 -5.774 1.00 3.01 H new ATOM 0 HG2 PRO A 72 14.033 -4.360 -7.373 1.00 74.24 H new ATOM 0 HG3 PRO A 72 14.046 -5.612 -6.147 1.00 74.24 H new ATOM 0 HD2 PRO A 72 12.644 -2.932 -6.095 1.00 42.22 H new ATOM 0 HD3 PRO A 72 12.060 -4.487 -5.536 1.00 42.22 H new ATOM 587 N GLY A 73 16.111 -2.223 -2.602 1.00 53.42 N ATOM 588 CA GLY A 73 16.735 -0.999 -2.100 1.00 54.20 C ATOM 589 C GLY A 73 15.921 -0.289 -1.017 1.00 53.44 C ATOM 590 O GLY A 73 16.416 0.639 -0.380 1.00 41.41 O ATOM 0 H GLY A 73 16.104 -2.999 -1.940 1.00 53.42 H new ATOM 0 HA2 GLY A 73 17.720 -1.242 -1.700 1.00 54.20 H new ATOM 0 HA3 GLY A 73 16.890 -0.313 -2.933 1.00 54.20 H new ATOM 594 N TYR A 74 14.672 -0.710 -0.811 1.00 75.50 N ATOM 595 CA TYR A 74 13.820 -0.128 0.240 1.00 74.24 C ATOM 596 C TYR A 74 13.277 -1.188 1.210 1.00 71.02 C ATOM 597 O TYR A 74 12.886 -2.284 0.810 1.00 53.40 O ATOM 598 CB TYR A 74 12.669 0.677 -0.379 1.00 13.45 C ATOM 599 CG TYR A 74 13.037 2.120 -0.670 1.00 5.40 C ATOM 600 CD1 TYR A 74 14.042 2.437 -1.573 1.00 15.34 C ATOM 601 CD2 TYR A 74 12.392 3.164 -0.016 1.00 40.21 C ATOM 602 CE1 TYR A 74 14.388 3.749 -1.821 1.00 74.23 C ATOM 603 CE2 TYR A 74 12.728 4.479 -0.264 1.00 51.02 C ATOM 604 CZ TYR A 74 13.729 4.769 -1.163 1.00 61.33 C ATOM 605 OH TYR A 74 14.073 6.080 -1.411 1.00 74.12 O ATOM 0 H TYR A 74 14.225 -1.449 -1.353 1.00 75.50 H new ATOM 0 HA TYR A 74 14.450 0.545 0.822 1.00 74.24 H new ATOM 0 HB2 TYR A 74 12.354 0.195 -1.305 1.00 13.45 H new ATOM 0 HB3 TYR A 74 11.815 0.656 0.298 1.00 13.45 H new ATOM 0 HD1 TYR A 74 14.562 1.644 -2.090 1.00 15.34 H new ATOM 0 HD2 TYR A 74 11.614 2.941 0.699 1.00 40.21 H new ATOM 0 HE1 TYR A 74 15.172 3.978 -2.528 1.00 74.23 H new ATOM 0 HE2 TYR A 74 12.208 5.277 0.245 1.00 51.02 H new ATOM 0 HH TYR A 74 13.513 6.673 -0.868 1.00 74.12 H new ATOM 615 N LYS A 75 13.249 -0.832 2.492 1.00 75.34 N ATOM 616 CA LYS A 75 12.860 -1.753 3.569 1.00 41.43 C ATOM 617 C LYS A 75 11.523 -1.332 4.211 1.00 20.32 C ATOM 618 O LYS A 75 11.373 -0.189 4.641 1.00 75.14 O ATOM 619 CB LYS A 75 13.961 -1.760 4.641 1.00 43.41 C ATOM 620 CG LYS A 75 13.977 -3.005 5.522 1.00 72.01 C ATOM 621 CD LYS A 75 15.125 -2.963 6.529 1.00 73.21 C ATOM 622 CE LYS A 75 15.235 -4.261 7.322 1.00 53.44 C ATOM 623 NZ LYS A 75 13.958 -4.605 8.002 1.00 25.51 N ATOM 0 H LYS A 75 13.495 0.103 2.819 1.00 75.34 H new ATOM 0 HA LYS A 75 12.733 -2.749 3.145 1.00 41.43 H new ATOM 0 HB2 LYS A 75 14.929 -1.665 4.150 1.00 43.41 H new ATOM 0 HB3 LYS A 75 13.838 -0.882 5.276 1.00 43.41 H new ATOM 0 HG2 LYS A 75 13.029 -3.089 6.053 1.00 72.01 H new ATOM 0 HG3 LYS A 75 14.072 -3.893 4.897 1.00 72.01 H new ATOM 0 HD2 LYS A 75 16.062 -2.778 6.004 1.00 73.21 H new ATOM 0 HD3 LYS A 75 14.975 -2.130 7.216 1.00 73.21 H new ATOM 0 HE2 LYS A 75 15.520 -5.073 6.652 1.00 53.44 H new ATOM 0 HE3 LYS A 75 16.028 -4.167 8.064 1.00 53.44 H new ATOM 0 HZ1 LYS A 75 14.114 -5.404 8.649 1.00 25.51 H new ATOM 0 HZ2 LYS A 75 13.620 -3.783 8.542 1.00 25.51 H new ATOM 0 HZ3 LYS A 75 13.246 -4.869 7.291 1.00 25.51 H new ATOM 637 N LEU A 76 10.561 -2.251 4.284 1.00 51.11 N ATOM 638 CA LEU A 76 9.264 -1.958 4.915 1.00 62.22 C ATOM 639 C LEU A 76 9.425 -1.633 6.414 1.00 11.01 C ATOM 640 O LEU A 76 9.958 -2.438 7.179 1.00 72.10 O ATOM 641 CB LEU A 76 8.312 -3.151 4.752 1.00 71.14 C ATOM 642 CG LEU A 76 6.900 -2.939 5.328 1.00 14.43 C ATOM 643 CD1 LEU A 76 6.126 -1.899 4.515 1.00 72.12 C ATOM 644 CD2 LEU A 76 6.139 -4.261 5.396 1.00 22.13 C ATOM 0 H LEU A 76 10.649 -3.199 3.919 1.00 51.11 H new ATOM 0 HA LEU A 76 8.847 -1.084 4.416 1.00 62.22 H new ATOM 0 HB2 LEU A 76 8.224 -3.384 3.691 1.00 71.14 H new ATOM 0 HB3 LEU A 76 8.758 -4.021 5.234 1.00 71.14 H new ATOM 0 HG LEU A 76 7.003 -2.557 6.344 1.00 14.43 H new ATOM 0 HD11 LEU A 76 5.132 -1.769 4.943 1.00 72.12 H new ATOM 0 HD12 LEU A 76 6.659 -0.948 4.539 1.00 72.12 H new ATOM 0 HD13 LEU A 76 6.035 -2.238 3.483 1.00 72.12 H new ATOM 0 HD21 LEU A 76 5.144 -4.087 5.806 1.00 22.13 H new ATOM 0 HD22 LEU A 76 6.050 -4.682 4.394 1.00 22.13 H new ATOM 0 HD23 LEU A 76 6.679 -4.959 6.036 1.00 22.13 H new ATOM 656 N ARG A 77 8.960 -0.454 6.830 1.00 11.41 N ATOM 657 CA ARG A 77 9.046 -0.045 8.243 1.00 72.33 C ATOM 658 C ARG A 77 7.776 -0.424 9.024 1.00 74.12 C ATOM 659 O ARG A 77 7.852 -0.813 10.191 1.00 33.32 O ATOM 660 CB ARG A 77 9.309 1.465 8.348 1.00 65.34 C ATOM 661 CG ARG A 77 8.194 2.335 7.775 1.00 63.03 C ATOM 662 CD ARG A 77 8.573 3.813 7.764 1.00 62.53 C ATOM 663 NE ARG A 77 8.691 4.383 9.104 1.00 72.52 N ATOM 664 CZ ARG A 77 9.395 5.448 9.378 1.00 72.13 C ATOM 665 NH1 ARG A 77 10.107 6.022 8.457 1.00 62.22 N ATOM 666 NH2 ARG A 77 9.403 5.925 10.581 1.00 55.22 N ATOM 0 H ARG A 77 8.522 0.234 6.218 1.00 11.41 H new ATOM 0 HA ARG A 77 9.881 -0.583 8.692 1.00 72.33 H new ATOM 0 HB2 ARG A 77 9.455 1.725 9.396 1.00 65.34 H new ATOM 0 HB3 ARG A 77 10.239 1.697 7.829 1.00 65.34 H new ATOM 0 HG2 ARG A 77 7.967 2.011 6.759 1.00 63.03 H new ATOM 0 HG3 ARG A 77 7.287 2.197 8.364 1.00 63.03 H new ATOM 0 HD2 ARG A 77 9.520 3.935 7.239 1.00 62.53 H new ATOM 0 HD3 ARG A 77 7.823 4.370 7.203 1.00 62.53 H new ATOM 0 HE ARG A 77 8.196 3.923 9.868 1.00 72.52 H new ATOM 0 HH11 ARG A 77 10.119 5.641 7.511 1.00 62.22 H new ATOM 0 HH12 ARG A 77 10.654 6.854 8.679 1.00 62.22 H new ATOM 0 HH21 ARG A 77 8.860 5.469 11.314 1.00 55.22 H new ATOM 0 HH22 ARG A 77 9.953 6.757 10.796 1.00 55.22 H new ATOM 680 N GLU A 78 6.613 -0.317 8.378 1.00 54.43 N ATOM 681 CA GLU A 78 5.340 -0.679 9.017 1.00 23.41 C ATOM 682 C GLU A 78 4.212 -0.853 7.986 1.00 61.31 C ATOM 683 O GLU A 78 4.306 -0.382 6.850 1.00 71.13 O ATOM 684 CB GLU A 78 4.935 0.375 10.061 1.00 33.24 C ATOM 685 CG GLU A 78 4.605 1.747 9.478 1.00 62.35 C ATOM 686 CD GLU A 78 4.153 2.738 10.543 1.00 64.25 C ATOM 687 OE1 GLU A 78 2.985 2.660 10.978 1.00 63.44 O ATOM 688 OE2 GLU A 78 4.967 3.589 10.963 1.00 41.11 O ATOM 0 H GLU A 78 6.523 0.015 7.418 1.00 54.43 H new ATOM 0 HA GLU A 78 5.493 -1.636 9.515 1.00 23.41 H new ATOM 0 HB2 GLU A 78 4.068 0.009 10.611 1.00 33.24 H new ATOM 0 HB3 GLU A 78 5.746 0.485 10.781 1.00 33.24 H new ATOM 0 HG2 GLU A 78 5.483 2.142 8.967 1.00 62.35 H new ATOM 0 HG3 GLU A 78 3.821 1.641 8.728 1.00 62.35 H new ATOM 695 N ILE A 79 3.147 -1.535 8.408 1.00 25.05 N ATOM 696 CA ILE A 79 1.973 -1.787 7.561 1.00 23.34 C ATOM 697 C ILE A 79 0.785 -0.890 7.970 1.00 12.54 C ATOM 698 O ILE A 79 0.499 -0.737 9.159 1.00 54.25 O ATOM 699 CB ILE A 79 1.549 -3.279 7.654 1.00 14.11 C ATOM 700 CG1 ILE A 79 2.652 -4.184 7.078 1.00 42.30 C ATOM 701 CG2 ILE A 79 0.221 -3.527 6.937 1.00 0.01 C ATOM 702 CD1 ILE A 79 2.361 -5.663 7.210 1.00 52.52 C ATOM 0 H ILE A 79 3.070 -1.930 9.345 1.00 25.05 H new ATOM 0 HA ILE A 79 2.250 -1.550 6.534 1.00 23.34 H new ATOM 0 HB ILE A 79 1.407 -3.524 8.707 1.00 14.11 H new ATOM 0 HG12 ILE A 79 2.792 -3.944 6.024 1.00 42.30 H new ATOM 0 HG13 ILE A 79 3.592 -3.962 7.583 1.00 42.30 H new ATOM 0 HG21 ILE A 79 -0.047 -4.580 7.021 1.00 0.01 H new ATOM 0 HG22 ILE A 79 -0.558 -2.917 7.394 1.00 0.01 H new ATOM 0 HG23 ILE A 79 0.320 -3.261 5.885 1.00 0.01 H new ATOM 0 HD11 ILE A 79 3.184 -6.235 6.782 1.00 52.52 H new ATOM 0 HD12 ILE A 79 2.251 -5.919 8.264 1.00 52.52 H new ATOM 0 HD13 ILE A 79 1.439 -5.901 6.680 1.00 52.52 H new ATOM 714 N PRO A 80 0.087 -0.273 6.988 1.00 73.31 N ATOM 715 CA PRO A 80 -1.125 0.535 7.254 1.00 32.44 C ATOM 716 C PRO A 80 -2.263 -0.287 7.890 1.00 15.00 C ATOM 717 O PRO A 80 -2.536 -1.417 7.479 1.00 72.43 O ATOM 718 CB PRO A 80 -1.536 1.032 5.853 1.00 33.41 C ATOM 719 CG PRO A 80 -0.876 0.086 4.905 1.00 42.10 C ATOM 720 CD PRO A 80 0.424 -0.290 5.555 1.00 64.45 C ATOM 0 HA PRO A 80 -0.928 1.335 7.968 1.00 32.44 H new ATOM 0 HB2 PRO A 80 -2.619 1.022 5.732 1.00 33.41 H new ATOM 0 HB3 PRO A 80 -1.205 2.057 5.684 1.00 33.41 H new ATOM 0 HG2 PRO A 80 -1.497 -0.793 4.732 1.00 42.10 H new ATOM 0 HG3 PRO A 80 -0.709 0.555 3.935 1.00 42.10 H new ATOM 0 HD2 PRO A 80 0.769 -1.272 5.232 1.00 64.45 H new ATOM 0 HD3 PRO A 80 1.216 0.420 5.317 1.00 64.45 H new ATOM 728 N HIS A 81 -2.945 0.295 8.882 1.00 12.24 N ATOM 729 CA HIS A 81 -3.997 -0.418 9.620 1.00 25.14 C ATOM 730 C HIS A 81 -5.167 -0.835 8.705 1.00 1.51 C ATOM 731 O HIS A 81 -5.884 -1.792 8.998 1.00 21.11 O ATOM 732 CB HIS A 81 -4.518 0.437 10.788 1.00 62.55 C ATOM 733 CG HIS A 81 -5.366 1.604 10.377 1.00 53.04 C ATOM 734 ND1 HIS A 81 -4.864 2.866 10.142 1.00 75.43 N ATOM 735 CD2 HIS A 81 -6.700 1.693 10.174 1.00 45.11 C ATOM 736 CE1 HIS A 81 -5.850 3.677 9.816 1.00 40.44 C ATOM 737 NE2 HIS A 81 -6.972 2.990 9.826 1.00 1.22 N ATOM 0 H HIS A 81 -2.790 1.254 9.193 1.00 12.24 H new ATOM 0 HA HIS A 81 -3.547 -1.328 10.017 1.00 25.14 H new ATOM 0 HB2 HIS A 81 -5.098 -0.199 11.457 1.00 62.55 H new ATOM 0 HB3 HIS A 81 -3.666 0.807 11.359 1.00 62.55 H new ATOM 0 HD2 HIS A 81 -7.417 0.891 10.269 1.00 45.11 H new ATOM 0 HE1 HIS A 81 -5.754 4.727 9.581 1.00 40.44 H new ATOM 0 HE2 HIS A 81 -7.896 3.363 9.609 1.00 1.22 H new ATOM 746 N ASN A 82 -5.363 -0.105 7.605 1.00 63.22 N ATOM 747 CA ASN A 82 -6.428 -0.429 6.644 1.00 40.35 C ATOM 748 C ASN A 82 -5.888 -1.233 5.446 1.00 74.11 C ATOM 749 O ASN A 82 -6.425 -1.150 4.345 1.00 42.13 O ATOM 750 CB ASN A 82 -7.125 0.853 6.150 1.00 1.33 C ATOM 751 CG ASN A 82 -6.198 1.784 5.387 1.00 23.44 C ATOM 752 OD1 ASN A 82 -5.586 2.676 5.959 1.00 34.23 O ATOM 753 ND2 ASN A 82 -6.075 1.576 4.090 1.00 52.24 N ATOM 0 H ASN A 82 -4.804 0.711 7.355 1.00 63.22 H new ATOM 0 HA ASN A 82 -7.157 -1.050 7.165 1.00 40.35 H new ATOM 0 HB2 ASN A 82 -7.962 0.579 5.508 1.00 1.33 H new ATOM 0 HB3 ASN A 82 -7.540 1.386 7.006 1.00 1.33 H new ATOM 0 HD21 ASN A 82 -5.456 2.167 3.535 1.00 52.24 H new ATOM 0 HD22 ASN A 82 -6.599 0.824 3.642 1.00 52.24 H new ATOM 760 N ALA A 83 -4.833 -2.018 5.668 1.00 55.52 N ATOM 761 CA ALA A 83 -4.264 -2.871 4.613 1.00 74.02 C ATOM 762 C ALA A 83 -5.193 -4.046 4.256 1.00 51.12 C ATOM 763 O ALA A 83 -5.067 -4.647 3.186 1.00 1.35 O ATOM 764 CB ALA A 83 -2.892 -3.387 5.036 1.00 45.43 C ATOM 0 H ALA A 83 -4.353 -2.084 6.566 1.00 55.52 H new ATOM 0 HA ALA A 83 -4.157 -2.259 3.718 1.00 74.02 H new ATOM 0 HB1 ALA A 83 -2.481 -4.017 4.247 1.00 45.43 H new ATOM 0 HB2 ALA A 83 -2.224 -2.544 5.211 1.00 45.43 H new ATOM 0 HB3 ALA A 83 -2.989 -3.970 5.952 1.00 45.43 H new ATOM 770 N THR A 84 -6.114 -4.369 5.167 1.00 0.35 N ATOM 771 CA THR A 84 -7.082 -5.462 4.962 1.00 55.25 C ATOM 772 C THR A 84 -8.471 -5.079 5.493 1.00 5.44 C ATOM 773 O THR A 84 -8.601 -4.636 6.635 1.00 31.23 O ATOM 774 CB THR A 84 -6.641 -6.765 5.679 1.00 42.43 C ATOM 775 OG1 THR A 84 -6.524 -6.539 7.095 1.00 33.53 O ATOM 776 CG2 THR A 84 -5.311 -7.282 5.138 1.00 31.02 C ATOM 0 H THR A 84 -6.214 -3.889 6.061 1.00 0.35 H new ATOM 0 HA THR A 84 -7.123 -5.633 3.886 1.00 55.25 H new ATOM 0 HB THR A 84 -7.406 -7.518 5.487 1.00 42.43 H new ATOM 0 HG1 THR A 84 -7.175 -5.861 7.373 1.00 33.53 H new ATOM 0 HG21 THR A 84 -5.035 -8.196 5.664 1.00 31.02 H new ATOM 0 HG22 THR A 84 -5.408 -7.492 4.073 1.00 31.02 H new ATOM 0 HG23 THR A 84 -4.539 -6.528 5.290 1.00 31.02 H new ATOM 784 N GLY A 85 -9.506 -5.261 4.673 1.00 32.24 N ATOM 785 CA GLY A 85 -10.868 -4.964 5.114 1.00 32.41 C ATOM 786 C GLY A 85 -11.906 -5.077 4.001 1.00 2.33 C ATOM 787 O GLY A 85 -11.642 -5.650 2.942 1.00 34.23 O ATOM 0 H GLY A 85 -9.430 -5.607 3.716 1.00 32.24 H new ATOM 0 HA2 GLY A 85 -11.137 -5.645 5.921 1.00 32.41 H new ATOM 0 HA3 GLY A 85 -10.896 -3.955 5.526 1.00 32.41 H new ATOM 791 N ASN A 86 -13.099 -4.534 4.251 1.00 71.23 N ATOM 792 CA ASN A 86 -14.193 -4.544 3.265 1.00 24.12 C ATOM 793 C ASN A 86 -14.270 -3.207 2.514 1.00 30.30 C ATOM 794 O ASN A 86 -14.135 -2.141 3.123 1.00 41.32 O ATOM 795 CB ASN A 86 -15.544 -4.781 3.962 1.00 52.04 C ATOM 796 CG ASN A 86 -15.514 -5.904 4.985 1.00 54.21 C ATOM 797 OD1 ASN A 86 -14.725 -6.830 4.893 1.00 14.21 O ATOM 798 ND2 ASN A 86 -16.391 -5.834 5.966 1.00 0.04 N ATOM 0 H ASN A 86 -13.338 -4.078 5.132 1.00 71.23 H new ATOM 0 HA ASN A 86 -13.987 -5.349 2.560 1.00 24.12 H new ATOM 0 HB2 ASN A 86 -15.855 -3.860 4.455 1.00 52.04 H new ATOM 0 HB3 ASN A 86 -16.297 -5.008 3.208 1.00 52.04 H new ATOM 0 HD21 ASN A 86 -16.423 -6.567 6.675 1.00 0.04 H new ATOM 0 HD22 ASN A 86 -17.038 -5.047 6.016 1.00 0.04 H new ATOM 805 N ILE A 87 -14.493 -3.248 1.198 1.00 72.24 N ATOM 806 CA ILE A 87 -14.750 -2.014 0.449 1.00 4.31 C ATOM 807 C ILE A 87 -16.095 -1.418 0.882 1.00 15.41 C ATOM 808 O ILE A 87 -17.156 -1.793 0.376 1.00 24.12 O ATOM 809 CB ILE A 87 -14.758 -2.228 -1.090 1.00 61.33 C ATOM 810 CG1 ILE A 87 -13.398 -2.755 -1.574 1.00 50.03 C ATOM 811 CG2 ILE A 87 -15.109 -0.922 -1.808 1.00 24.51 C ATOM 812 CD1 ILE A 87 -13.286 -2.870 -3.083 1.00 2.32 C ATOM 0 H ILE A 87 -14.501 -4.101 0.639 1.00 72.24 H new ATOM 0 HA ILE A 87 -13.932 -1.331 0.677 1.00 4.31 H new ATOM 0 HB ILE A 87 -15.518 -2.973 -1.327 1.00 61.33 H new ATOM 0 HG12 ILE A 87 -12.612 -2.093 -1.210 1.00 50.03 H new ATOM 0 HG13 ILE A 87 -13.220 -3.735 -1.130 1.00 50.03 H new ATOM 0 HG21 ILE A 87 -15.111 -1.088 -2.885 1.00 24.51 H new ATOM 0 HG22 ILE A 87 -16.097 -0.587 -1.491 1.00 24.51 H new ATOM 0 HG23 ILE A 87 -14.370 -0.160 -1.559 1.00 24.51 H new ATOM 0 HD11 ILE A 87 -12.298 -3.248 -3.347 1.00 2.32 H new ATOM 0 HD12 ILE A 87 -14.048 -3.556 -3.453 1.00 2.32 H new ATOM 0 HD13 ILE A 87 -13.431 -1.889 -3.534 1.00 2.32 H new ATOM 824 N THR A 88 -16.037 -0.506 1.839 1.00 33.10 N ATOM 825 CA THR A 88 -17.240 0.121 2.399 1.00 12.32 C ATOM 826 C THR A 88 -17.380 1.575 1.928 1.00 5.03 C ATOM 827 O THR A 88 -18.374 2.245 2.221 1.00 31.31 O ATOM 828 CB THR A 88 -17.202 0.084 3.945 1.00 32.03 C ATOM 829 OG1 THR A 88 -16.078 0.842 4.425 1.00 3.42 O ATOM 830 CG2 THR A 88 -17.097 -1.357 4.455 1.00 73.14 C ATOM 0 H THR A 88 -15.165 -0.176 2.252 1.00 33.10 H new ATOM 0 HA THR A 88 -18.100 -0.446 2.044 1.00 12.32 H new ATOM 0 HB THR A 88 -18.128 0.521 4.318 1.00 32.03 H new ATOM 0 HG1 THR A 88 -16.060 0.816 5.405 1.00 3.42 H new ATOM 0 HG21 THR A 88 -17.072 -1.356 5.545 1.00 73.14 H new ATOM 0 HG22 THR A 88 -17.960 -1.928 4.112 1.00 73.14 H new ATOM 0 HG23 THR A 88 -16.184 -1.813 4.071 1.00 73.14 H new ATOM 838 N ASP A 89 -16.380 2.044 1.184 1.00 41.33 N ATOM 839 CA ASP A 89 -16.357 3.409 0.656 1.00 42.14 C ATOM 840 C ASP A 89 -15.565 3.443 -0.667 1.00 4.42 C ATOM 841 O ASP A 89 -14.828 2.505 -0.974 1.00 13.41 O ATOM 842 CB ASP A 89 -15.727 4.352 1.692 1.00 60.50 C ATOM 843 CG ASP A 89 -16.130 5.797 1.478 1.00 1.31 C ATOM 844 OD1 ASP A 89 -15.460 6.503 0.704 1.00 52.54 O ATOM 845 OD2 ASP A 89 -17.134 6.233 2.079 1.00 42.14 O ATOM 0 H ASP A 89 -15.563 1.490 0.930 1.00 41.33 H new ATOM 0 HA ASP A 89 -17.376 3.742 0.457 1.00 42.14 H new ATOM 0 HB2 ASP A 89 -16.025 4.039 2.693 1.00 60.50 H new ATOM 0 HB3 ASP A 89 -14.641 4.269 1.642 1.00 60.50 H new ATOM 850 N THR A 90 -15.709 4.513 -1.450 1.00 70.12 N ATOM 851 CA THR A 90 -15.026 4.602 -2.757 1.00 41.45 C ATOM 852 C THR A 90 -13.724 5.405 -2.691 1.00 50.25 C ATOM 853 O THR A 90 -13.670 6.497 -2.123 1.00 32.44 O ATOM 854 CB THR A 90 -15.928 5.213 -3.856 1.00 4.53 C ATOM 855 OG1 THR A 90 -15.151 5.483 -5.035 1.00 2.11 O ATOM 856 CG2 THR A 90 -16.608 6.496 -3.383 1.00 63.22 C ATOM 0 H THR A 90 -16.282 5.323 -1.214 1.00 70.12 H new ATOM 0 HA THR A 90 -14.792 3.570 -3.018 1.00 41.45 H new ATOM 0 HB THR A 90 -16.707 4.486 -4.085 1.00 4.53 H new ATOM 0 HG1 THR A 90 -15.636 5.167 -5.826 1.00 2.11 H new ATOM 0 HG21 THR A 90 -17.232 6.893 -4.183 1.00 63.22 H new ATOM 0 HG22 THR A 90 -17.228 6.280 -2.513 1.00 63.22 H new ATOM 0 HG23 THR A 90 -15.850 7.232 -3.115 1.00 63.22 H new ATOM 864 N GLY A 91 -12.681 4.861 -3.303 1.00 24.31 N ATOM 865 CA GLY A 91 -11.384 5.527 -3.323 1.00 3.51 C ATOM 866 C GLY A 91 -10.557 5.304 -2.057 1.00 73.43 C ATOM 867 O GLY A 91 -9.853 6.208 -1.599 1.00 42.42 O ATOM 0 H GLY A 91 -12.706 3.965 -3.790 1.00 24.31 H new ATOM 0 HA2 GLY A 91 -10.817 5.172 -4.184 1.00 3.51 H new ATOM 0 HA3 GLY A 91 -11.538 6.597 -3.462 1.00 3.51 H new ATOM 871 N ILE A 92 -10.639 4.101 -1.487 1.00 44.31 N ATOM 872 CA ILE A 92 -9.819 3.740 -0.320 1.00 32.11 C ATOM 873 C ILE A 92 -8.361 3.510 -0.738 1.00 20.51 C ATOM 874 O ILE A 92 -8.099 2.885 -1.764 1.00 14.34 O ATOM 875 CB ILE A 92 -10.351 2.459 0.377 1.00 24.02 C ATOM 876 CG1 ILE A 92 -11.806 2.659 0.833 1.00 4.31 C ATOM 877 CG2 ILE A 92 -9.457 2.077 1.564 1.00 11.24 C ATOM 878 CD1 ILE A 92 -12.431 1.424 1.452 1.00 43.30 C ATOM 0 H ILE A 92 -11.261 3.360 -1.810 1.00 44.31 H new ATOM 0 HA ILE A 92 -9.876 4.571 0.383 1.00 32.11 H new ATOM 0 HB ILE A 92 -10.327 1.641 -0.343 1.00 24.02 H new ATOM 0 HG12 ILE A 92 -11.841 3.473 1.557 1.00 4.31 H new ATOM 0 HG13 ILE A 92 -12.406 2.967 -0.023 1.00 4.31 H new ATOM 0 HG21 ILE A 92 -9.847 1.177 2.039 1.00 11.24 H new ATOM 0 HG22 ILE A 92 -8.443 1.890 1.210 1.00 11.24 H new ATOM 0 HG23 ILE A 92 -9.445 2.892 2.287 1.00 11.24 H new ATOM 0 HD11 ILE A 92 -13.457 1.645 1.748 1.00 43.30 H new ATOM 0 HD12 ILE A 92 -12.430 0.612 0.725 1.00 43.30 H new ATOM 0 HD13 ILE A 92 -11.856 1.126 2.329 1.00 43.30 H new ATOM 890 N ILE A 93 -7.410 4.014 0.053 1.00 65.21 N ATOM 891 CA ILE A 93 -5.989 3.853 -0.277 1.00 31.20 C ATOM 892 C ILE A 93 -5.205 3.113 0.825 1.00 41.54 C ATOM 893 O ILE A 93 -5.139 3.555 1.975 1.00 51.23 O ATOM 894 CB ILE A 93 -5.307 5.218 -0.564 1.00 3.11 C ATOM 895 CG1 ILE A 93 -6.058 5.969 -1.681 1.00 74.33 C ATOM 896 CG2 ILE A 93 -3.838 5.013 -0.947 1.00 73.13 C ATOM 897 CD1 ILE A 93 -5.374 7.244 -2.137 1.00 73.44 C ATOM 0 H ILE A 93 -7.592 4.530 0.914 1.00 65.21 H new ATOM 0 HA ILE A 93 -5.965 3.244 -1.181 1.00 31.20 H new ATOM 0 HB ILE A 93 -5.344 5.822 0.343 1.00 3.11 H new ATOM 0 HG12 ILE A 93 -6.173 5.305 -2.537 1.00 74.33 H new ATOM 0 HG13 ILE A 93 -7.061 6.213 -1.330 1.00 74.33 H new ATOM 0 HG21 ILE A 93 -3.375 5.980 -1.145 1.00 73.13 H new ATOM 0 HG22 ILE A 93 -3.314 4.521 -0.128 1.00 73.13 H new ATOM 0 HG23 ILE A 93 -3.778 4.392 -1.841 1.00 73.13 H new ATOM 0 HD11 ILE A 93 -5.965 7.713 -2.924 1.00 73.44 H new ATOM 0 HD12 ILE A 93 -5.283 7.930 -1.294 1.00 73.44 H new ATOM 0 HD13 ILE A 93 -4.382 7.007 -2.521 1.00 73.44 H new ATOM 909 N VAL A 94 -4.629 1.969 0.457 1.00 22.40 N ATOM 910 CA VAL A 94 -3.701 1.235 1.321 1.00 54.42 C ATOM 911 C VAL A 94 -2.260 1.693 1.047 1.00 74.42 C ATOM 912 O VAL A 94 -1.713 1.438 -0.022 1.00 73.24 O ATOM 913 CB VAL A 94 -3.810 -0.291 1.084 1.00 75.00 C ATOM 914 CG1 VAL A 94 -2.818 -1.053 1.955 1.00 24.44 C ATOM 915 CG2 VAL A 94 -5.236 -0.775 1.333 1.00 65.43 C ATOM 0 H VAL A 94 -4.791 1.524 -0.447 1.00 22.40 H new ATOM 0 HA VAL A 94 -3.964 1.445 2.358 1.00 54.42 H new ATOM 0 HB VAL A 94 -3.560 -0.489 0.042 1.00 75.00 H new ATOM 0 HG11 VAL A 94 -2.916 -2.122 1.768 1.00 24.44 H new ATOM 0 HG12 VAL A 94 -1.804 -0.734 1.715 1.00 24.44 H new ATOM 0 HG13 VAL A 94 -3.024 -0.848 3.006 1.00 24.44 H new ATOM 0 HG21 VAL A 94 -5.291 -1.850 1.161 1.00 65.43 H new ATOM 0 HG22 VAL A 94 -5.519 -0.558 2.363 1.00 65.43 H new ATOM 0 HG23 VAL A 94 -5.918 -0.264 0.653 1.00 65.43 H new ATOM 925 N ARG A 95 -1.646 2.367 2.011 1.00 3.13 N ATOM 926 CA ARG A 95 -0.351 3.024 1.779 1.00 10.33 C ATOM 927 C ARG A 95 0.778 2.407 2.628 1.00 64.31 C ATOM 928 O ARG A 95 0.847 2.625 3.836 1.00 12.42 O ATOM 929 CB ARG A 95 -0.489 4.530 2.073 1.00 23.50 C ATOM 930 CG ARG A 95 0.353 5.428 1.171 1.00 54.23 C ATOM 931 CD ARG A 95 0.054 6.902 1.420 1.00 24.41 C ATOM 932 NE ARG A 95 0.657 7.773 0.415 1.00 0.23 N ATOM 933 CZ ARG A 95 0.519 9.070 0.396 1.00 63.21 C ATOM 934 NH1 ARG A 95 -0.187 9.676 1.300 1.00 33.41 N ATOM 935 NH2 ARG A 95 1.085 9.763 -0.528 1.00 11.34 N ATOM 0 H ARG A 95 -2.014 2.477 2.956 1.00 3.13 H new ATOM 0 HA ARG A 95 -0.075 2.873 0.735 1.00 10.33 H new ATOM 0 HB2 ARG A 95 -1.537 4.813 1.971 1.00 23.50 H new ATOM 0 HB3 ARG A 95 -0.209 4.712 3.110 1.00 23.50 H new ATOM 0 HG2 ARG A 95 1.411 5.235 1.348 1.00 54.23 H new ATOM 0 HG3 ARG A 95 0.155 5.186 0.127 1.00 54.23 H new ATOM 0 HD2 ARG A 95 -1.025 7.054 1.427 1.00 24.41 H new ATOM 0 HD3 ARG A 95 0.422 7.182 2.407 1.00 24.41 H new ATOM 0 HE ARG A 95 1.221 7.341 -0.317 1.00 0.23 H new ATOM 0 HH11 ARG A 95 -0.642 9.138 2.037 1.00 33.41 H new ATOM 0 HH12 ARG A 95 -0.287 10.691 1.274 1.00 33.41 H new ATOM 0 HH21 ARG A 95 1.641 9.298 -1.246 1.00 11.34 H new ATOM 0 HH22 ARG A 95 0.977 10.777 -0.543 1.00 11.34 H new ATOM 949 N TYR A 96 1.652 1.629 1.987 1.00 61.34 N ATOM 950 CA TYR A 96 2.814 1.028 2.660 1.00 13.05 C ATOM 951 C TYR A 96 4.016 1.984 2.661 1.00 65.41 C ATOM 952 O TYR A 96 4.321 2.610 1.645 1.00 13.43 O ATOM 953 CB TYR A 96 3.200 -0.294 1.977 1.00 64.13 C ATOM 954 CG TYR A 96 2.204 -1.417 2.201 1.00 3.44 C ATOM 955 CD1 TYR A 96 1.107 -1.584 1.363 1.00 22.21 C ATOM 956 CD2 TYR A 96 2.362 -2.311 3.256 1.00 42.44 C ATOM 957 CE1 TYR A 96 0.202 -2.607 1.570 1.00 32.32 C ATOM 958 CE2 TYR A 96 1.461 -3.337 3.467 1.00 55.23 C ATOM 959 CZ TYR A 96 0.383 -3.480 2.622 1.00 21.54 C ATOM 960 OH TYR A 96 -0.516 -4.502 2.826 1.00 24.23 O ATOM 0 H TYR A 96 1.580 1.397 0.996 1.00 61.34 H new ATOM 0 HA TYR A 96 2.534 0.832 3.695 1.00 13.05 H new ATOM 0 HB2 TYR A 96 3.303 -0.121 0.906 1.00 64.13 H new ATOM 0 HB3 TYR A 96 4.177 -0.609 2.344 1.00 64.13 H new ATOM 0 HD1 TYR A 96 0.960 -0.903 0.537 1.00 22.21 H new ATOM 0 HD2 TYR A 96 3.205 -2.201 3.922 1.00 42.44 H new ATOM 0 HE1 TYR A 96 -0.645 -2.723 0.910 1.00 32.32 H new ATOM 0 HE2 TYR A 96 1.601 -4.023 4.290 1.00 55.23 H new ATOM 0 HH TYR A 96 -0.243 -5.026 3.608 1.00 24.23 H new ATOM 970 N ILE A 97 4.701 2.085 3.802 1.00 64.41 N ATOM 971 CA ILE A 97 5.843 2.999 3.949 1.00 34.50 C ATOM 972 C ILE A 97 7.173 2.224 4.001 1.00 71.34 C ATOM 973 O ILE A 97 7.319 1.273 4.778 1.00 72.12 O ATOM 974 CB ILE A 97 5.720 3.852 5.239 1.00 33.14 C ATOM 975 CG1 ILE A 97 4.283 4.370 5.427 1.00 65.01 C ATOM 976 CG2 ILE A 97 6.704 5.025 5.191 1.00 62.32 C ATOM 977 CD1 ILE A 97 3.875 5.426 4.424 1.00 74.30 C ATOM 0 H ILE A 97 4.487 1.545 4.641 1.00 64.41 H new ATOM 0 HA ILE A 97 5.835 3.654 3.078 1.00 34.50 H new ATOM 0 HB ILE A 97 5.964 3.217 6.091 1.00 33.14 H new ATOM 0 HG12 ILE A 97 3.592 3.530 5.356 1.00 65.01 H new ATOM 0 HG13 ILE A 97 4.184 4.780 6.432 1.00 65.01 H new ATOM 0 HG21 ILE A 97 6.609 5.617 6.101 1.00 62.32 H new ATOM 0 HG22 ILE A 97 7.722 4.643 5.111 1.00 62.32 H new ATOM 0 HG23 ILE A 97 6.482 5.651 4.327 1.00 62.32 H new ATOM 0 HD11 ILE A 97 2.850 5.740 4.623 1.00 74.30 H new ATOM 0 HD12 ILE A 97 4.541 6.285 4.509 1.00 74.30 H new ATOM 0 HD13 ILE A 97 3.940 5.015 3.416 1.00 74.30 H new ATOM 989 N TYR A 98 8.147 2.640 3.193 1.00 2.24 N ATOM 990 CA TYR A 98 9.458 1.969 3.141 1.00 63.02 C ATOM 991 C TYR A 98 10.615 2.937 3.420 1.00 52.20 C ATOM 992 O TYR A 98 10.662 4.041 2.880 1.00 43.13 O ATOM 993 CB TYR A 98 9.674 1.314 1.767 1.00 2.31 C ATOM 994 CG TYR A 98 8.613 0.303 1.378 1.00 55.22 C ATOM 995 CD1 TYR A 98 7.406 0.711 0.816 1.00 34.50 C ATOM 996 CD2 TYR A 98 8.816 -1.060 1.571 1.00 42.32 C ATOM 997 CE1 TYR A 98 6.440 -0.206 0.457 1.00 14.13 C ATOM 998 CE2 TYR A 98 7.852 -1.984 1.212 1.00 64.51 C ATOM 999 CZ TYR A 98 6.666 -1.550 0.659 1.00 64.11 C ATOM 1000 OH TYR A 98 5.704 -2.462 0.292 1.00 74.53 O ATOM 0 H TYR A 98 8.059 3.438 2.563 1.00 2.24 H new ATOM 0 HA TYR A 98 9.452 1.208 3.921 1.00 63.02 H new ATOM 0 HB2 TYR A 98 9.709 2.095 1.008 1.00 2.31 H new ATOM 0 HB3 TYR A 98 10.646 0.821 1.762 1.00 2.31 H new ATOM 0 HD1 TYR A 98 7.223 1.764 0.658 1.00 34.50 H new ATOM 0 HD2 TYR A 98 9.742 -1.402 2.009 1.00 42.32 H new ATOM 0 HE1 TYR A 98 5.511 0.128 0.020 1.00 14.13 H new ATOM 0 HE2 TYR A 98 8.027 -3.039 1.364 1.00 64.51 H new ATOM 0 HH TYR A 98 4.877 -2.281 0.785 1.00 74.53 H new ATOM 1010 N ASP A 99 11.549 2.501 4.261 1.00 73.23 N ATOM 1011 CA ASP A 99 12.786 3.239 4.523 1.00 13.14 C ATOM 1012 C ASP A 99 13.920 2.720 3.622 1.00 50.34 C ATOM 1013 O ASP A 99 14.175 1.518 3.571 1.00 12.40 O ATOM 1014 CB ASP A 99 13.198 3.081 5.991 1.00 40.33 C ATOM 1015 CG ASP A 99 12.254 3.759 6.970 1.00 64.13 C ATOM 1016 OD1 ASP A 99 11.529 4.694 6.573 1.00 43.25 O ATOM 1017 OD2 ASP A 99 12.245 3.353 8.154 1.00 63.32 O ATOM 0 H ASP A 99 11.472 1.627 4.781 1.00 73.23 H new ATOM 0 HA ASP A 99 12.607 4.292 4.308 1.00 13.14 H new ATOM 0 HB2 ASP A 99 13.254 2.019 6.231 1.00 40.33 H new ATOM 0 HB3 ASP A 99 14.199 3.491 6.124 1.00 40.33 H new ATOM 1022 N LYS A 100 14.604 3.623 2.924 1.00 62.44 N ATOM 1023 CA LYS A 100 15.695 3.237 2.015 1.00 24.24 C ATOM 1024 C LYS A 100 16.804 2.454 2.741 1.00 73.23 C ATOM 1025 O LYS A 100 17.318 2.890 3.775 1.00 22.45 O ATOM 1026 CB LYS A 100 16.303 4.477 1.346 1.00 21.34 C ATOM 1027 CG LYS A 100 17.400 4.147 0.335 1.00 61.21 C ATOM 1028 CD LYS A 100 18.076 5.405 -0.198 1.00 32.55 C ATOM 1029 CE LYS A 100 19.344 5.077 -0.977 1.00 32.31 C ATOM 1030 NZ LYS A 100 20.102 6.306 -1.332 1.00 73.12 N ATOM 0 H LYS A 100 14.427 4.627 2.966 1.00 62.44 H new ATOM 0 HA LYS A 100 15.260 2.585 1.257 1.00 24.24 H new ATOM 0 HB2 LYS A 100 15.512 5.034 0.843 1.00 21.34 H new ATOM 0 HB3 LYS A 100 16.714 5.131 2.115 1.00 21.34 H new ATOM 0 HG2 LYS A 100 18.145 3.505 0.804 1.00 61.21 H new ATOM 0 HG3 LYS A 100 16.972 3.585 -0.495 1.00 61.21 H new ATOM 0 HD2 LYS A 100 17.383 5.945 -0.842 1.00 32.55 H new ATOM 0 HD3 LYS A 100 18.320 6.067 0.633 1.00 32.55 H new ATOM 0 HE2 LYS A 100 19.977 4.418 -0.383 1.00 32.31 H new ATOM 0 HE3 LYS A 100 19.083 4.534 -1.886 1.00 32.31 H new ATOM 0 HZ1 LYS A 100 21.047 6.043 -1.677 1.00 73.12 H new ATOM 0 HZ2 LYS A 100 19.594 6.824 -2.077 1.00 73.12 H new ATOM 0 HZ3 LYS A 100 20.196 6.911 -0.491 1.00 73.12 H new ATOM 1044 N ILE A 101 17.162 1.300 2.187 1.00 52.44 N ATOM 1045 CA ILE A 101 18.261 0.489 2.716 1.00 64.11 C ATOM 1046 C ILE A 101 19.618 1.116 2.352 1.00 25.14 C ATOM 1047 O ILE A 101 19.911 1.346 1.178 1.00 63.52 O ATOM 1048 CB ILE A 101 18.207 -0.961 2.167 1.00 45.01 C ATOM 1049 CG1 ILE A 101 16.811 -1.568 2.383 1.00 34.45 C ATOM 1050 CG2 ILE A 101 19.273 -1.828 2.838 1.00 52.43 C ATOM 1051 CD1 ILE A 101 16.654 -2.965 1.815 1.00 70.55 C ATOM 0 H ILE A 101 16.706 0.901 1.367 1.00 52.44 H new ATOM 0 HA ILE A 101 18.151 0.459 3.800 1.00 64.11 H new ATOM 0 HB ILE A 101 18.409 -0.930 1.096 1.00 45.01 H new ATOM 0 HG12 ILE A 101 16.599 -1.595 3.452 1.00 34.45 H new ATOM 0 HG13 ILE A 101 16.067 -0.915 1.927 1.00 34.45 H new ATOM 0 HG21 ILE A 101 19.220 -2.842 2.441 1.00 52.43 H new ATOM 0 HG22 ILE A 101 20.260 -1.411 2.638 1.00 52.43 H new ATOM 0 HG23 ILE A 101 19.099 -1.850 3.914 1.00 52.43 H new ATOM 0 HD11 ILE A 101 15.643 -3.324 2.007 1.00 70.55 H new ATOM 0 HD12 ILE A 101 16.833 -2.943 0.740 1.00 70.55 H new ATOM 0 HD13 ILE A 101 17.373 -3.633 2.289 1.00 70.55 H new ATOM 1063 N ILE A 102 20.436 1.393 3.363 1.00 15.51 N ATOM 1064 CA ILE A 102 21.740 2.035 3.151 1.00 43.44 C ATOM 1065 C ILE A 102 22.722 1.121 2.401 1.00 62.24 C ATOM 1066 O ILE A 102 23.347 1.525 1.419 1.00 74.34 O ATOM 1067 CB ILE A 102 22.370 2.475 4.497 1.00 21.24 C ATOM 1068 CG1 ILE A 102 21.404 3.393 5.271 1.00 23.52 C ATOM 1069 CG2 ILE A 102 23.714 3.170 4.272 1.00 62.02 C ATOM 1070 CD1 ILE A 102 20.996 4.643 4.516 1.00 15.43 C ATOM 0 H ILE A 102 20.224 1.185 4.339 1.00 15.51 H new ATOM 0 HA ILE A 102 21.555 2.914 2.534 1.00 43.44 H new ATOM 0 HB ILE A 102 22.550 1.582 5.095 1.00 21.24 H new ATOM 0 HG12 ILE A 102 20.508 2.827 5.525 1.00 23.52 H new ATOM 0 HG13 ILE A 102 21.873 3.686 6.210 1.00 23.52 H new ATOM 0 HG21 ILE A 102 24.134 3.469 5.232 1.00 62.02 H new ATOM 0 HG22 ILE A 102 24.399 2.484 3.773 1.00 62.02 H new ATOM 0 HG23 ILE A 102 23.567 4.053 3.650 1.00 62.02 H new ATOM 0 HD11 ILE A 102 20.316 5.233 5.130 1.00 15.43 H new ATOM 0 HD12 ILE A 102 21.882 5.234 4.285 1.00 15.43 H new ATOM 0 HD13 ILE A 102 20.496 4.361 3.589 1.00 15.43 H new ATOM 1082 N ASP A 103 22.849 -0.111 2.865 1.00 24.23 N ATOM 1083 CA ASP A 103 23.773 -1.068 2.255 1.00 71.22 C ATOM 1084 C ASP A 103 23.034 -2.028 1.336 1.00 61.43 C ATOM 1085 O ASP A 103 22.453 -3.021 1.779 1.00 13.14 O ATOM 1086 CB ASP A 103 24.543 -1.832 3.335 1.00 25.41 C ATOM 1087 CG ASP A 103 25.574 -2.783 2.748 1.00 32.34 C ATOM 1088 OD1 ASP A 103 26.469 -2.313 2.008 1.00 22.52 O ATOM 1089 OD2 ASP A 103 25.504 -3.999 3.026 1.00 52.05 O ATOM 0 H ASP A 103 22.327 -0.477 3.661 1.00 24.23 H new ATOM 0 HA ASP A 103 24.490 -0.512 1.651 1.00 71.22 H new ATOM 0 HB2 ASP A 103 25.042 -1.121 3.994 1.00 25.41 H new ATOM 0 HB3 ASP A 103 23.840 -2.396 3.948 1.00 25.41 H new ATOM 1094 N VAL A 104 23.057 -1.710 0.051 1.00 40.41 N ATOM 1095 CA VAL A 104 22.321 -2.457 -0.928 1.00 22.15 C ATOM 1096 C VAL A 104 22.739 -2.053 -2.361 1.00 35.44 C ATOM 1097 O VAL A 104 21.959 -2.150 -3.311 1.00 33.11 O ATOM 1098 CB VAL A 104 20.817 -2.215 -0.692 1.00 61.25 C ATOM 1099 CG1 VAL A 104 20.397 -0.797 -1.081 1.00 33.41 C ATOM 1100 CG2 VAL A 104 20.019 -3.257 -1.410 1.00 34.42 C ATOM 0 H VAL A 104 23.588 -0.927 -0.331 1.00 40.41 H new ATOM 0 HA VAL A 104 22.539 -3.520 -0.825 1.00 22.15 H new ATOM 0 HB VAL A 104 20.615 -2.304 0.376 1.00 61.25 H new ATOM 0 HG11 VAL A 104 19.330 -0.671 -0.898 1.00 33.41 H new ATOM 0 HG12 VAL A 104 20.955 -0.076 -0.484 1.00 33.41 H new ATOM 0 HG13 VAL A 104 20.606 -0.633 -2.138 1.00 33.41 H new ATOM 0 HG21 VAL A 104 18.956 -3.082 -1.241 1.00 34.42 H new ATOM 0 HG22 VAL A 104 20.230 -3.205 -2.478 1.00 34.42 H new ATOM 0 HG23 VAL A 104 20.289 -4.244 -1.035 1.00 34.42 H new ATOM 1110 N SER A 105 24.000 -1.628 -2.499 1.00 42.33 N ATOM 1111 CA SER A 105 24.553 -1.113 -3.771 1.00 42.53 C ATOM 1112 C SER A 105 23.955 0.251 -4.146 1.00 65.41 C ATOM 1113 O SER A 105 24.153 0.743 -5.256 1.00 52.24 O ATOM 1114 CB SER A 105 24.359 -2.111 -4.924 1.00 63.10 C ATOM 1115 OG SER A 105 25.061 -3.322 -4.677 1.00 63.11 O ATOM 0 H SER A 105 24.673 -1.629 -1.733 1.00 42.33 H new ATOM 0 HA SER A 105 25.623 -0.982 -3.609 1.00 42.53 H new ATOM 0 HB2 SER A 105 23.297 -2.322 -5.051 1.00 63.10 H new ATOM 0 HB3 SER A 105 24.710 -1.667 -5.856 1.00 63.10 H new ATOM 0 HG SER A 105 24.920 -3.940 -5.424 1.00 63.11 H new ATOM 1121 N TYR A 106 23.241 0.860 -3.207 1.00 62.34 N ATOM 1122 CA TYR A 106 22.695 2.201 -3.376 1.00 4.41 C ATOM 1123 C TYR A 106 23.528 3.203 -2.585 1.00 72.14 C ATOM 1124 O TYR A 106 23.903 2.958 -1.440 1.00 12.21 O ATOM 1125 CB TYR A 106 21.229 2.254 -2.926 1.00 44.24 C ATOM 1126 CG TYR A 106 20.256 1.685 -3.943 1.00 62.01 C ATOM 1127 CD1 TYR A 106 20.317 0.350 -4.326 1.00 71.33 C ATOM 1128 CD2 TYR A 106 19.282 2.488 -4.520 1.00 61.35 C ATOM 1129 CE1 TYR A 106 19.430 -0.171 -5.249 1.00 74.03 C ATOM 1130 CE2 TYR A 106 18.391 1.975 -5.444 1.00 30.31 C ATOM 1131 CZ TYR A 106 18.471 0.647 -5.808 1.00 50.21 C ATOM 1132 OH TYR A 106 17.585 0.136 -6.729 1.00 12.24 O ATOM 0 H TYR A 106 23.024 0.437 -2.305 1.00 62.34 H new ATOM 0 HA TYR A 106 22.734 2.461 -4.434 1.00 4.41 H new ATOM 0 HB2 TYR A 106 21.126 1.704 -1.991 1.00 44.24 H new ATOM 0 HB3 TYR A 106 20.959 3.290 -2.719 1.00 44.24 H new ATOM 0 HD1 TYR A 106 21.071 -0.292 -3.895 1.00 71.33 H new ATOM 0 HD2 TYR A 106 19.219 3.530 -4.243 1.00 61.35 H new ATOM 0 HE1 TYR A 106 19.488 -1.212 -5.531 1.00 74.03 H new ATOM 0 HE2 TYR A 106 17.635 2.612 -5.879 1.00 30.31 H new ATOM 0 HH TYR A 106 16.880 -0.361 -6.264 1.00 12.24 H new ATOM 1142 N VAL A 107 23.827 4.319 -3.215 1.00 43.55 N ATOM 1143 CA VAL A 107 24.679 5.346 -2.617 1.00 33.02 C ATOM 1144 C VAL A 107 23.854 6.404 -1.863 1.00 11.12 C ATOM 1145 O VAL A 107 22.707 6.694 -2.219 1.00 44.20 O ATOM 1146 CB VAL A 107 25.554 6.032 -3.700 1.00 55.04 C ATOM 1147 CG1 VAL A 107 26.563 6.990 -3.068 1.00 4.40 C ATOM 1148 CG2 VAL A 107 26.261 4.986 -4.558 1.00 2.42 C ATOM 0 H VAL A 107 23.493 4.547 -4.151 1.00 43.55 H new ATOM 0 HA VAL A 107 25.327 4.847 -1.897 1.00 33.02 H new ATOM 0 HB VAL A 107 24.898 6.618 -4.344 1.00 55.04 H new ATOM 0 HG11 VAL A 107 27.162 7.456 -3.851 1.00 4.40 H new ATOM 0 HG12 VAL A 107 26.032 7.761 -2.510 1.00 4.40 H new ATOM 0 HG13 VAL A 107 27.216 6.437 -2.392 1.00 4.40 H new ATOM 0 HG21 VAL A 107 26.870 5.485 -5.312 1.00 2.42 H new ATOM 0 HG22 VAL A 107 26.900 4.368 -3.926 1.00 2.42 H new ATOM 0 HG23 VAL A 107 25.519 4.357 -5.049 1.00 2.42 H new ATOM 1158 N ASP A 108 24.442 6.963 -0.807 1.00 31.50 N ATOM 1159 CA ASP A 108 23.796 8.008 -0.003 1.00 41.40 C ATOM 1160 C ASP A 108 24.749 9.169 0.310 1.00 51.51 C ATOM 1161 O ASP A 108 25.755 8.992 0.999 1.00 34.23 O ATOM 1162 CB ASP A 108 23.272 7.422 1.315 1.00 74.35 C ATOM 1163 CG ASP A 108 22.010 6.607 1.130 1.00 60.34 C ATOM 1164 OD1 ASP A 108 20.909 7.194 1.207 1.00 74.42 O ATOM 1165 OD2 ASP A 108 22.110 5.388 0.903 1.00 74.31 O ATOM 0 H ASP A 108 25.375 6.708 -0.483 1.00 31.50 H new ATOM 0 HA ASP A 108 22.968 8.396 -0.596 1.00 41.40 H new ATOM 0 HB2 ASP A 108 24.043 6.794 1.761 1.00 74.35 H new ATOM 0 HB3 ASP A 108 23.076 8.233 2.016 1.00 74.35 H new ATOM 1170 N GLU A 109 24.427 10.356 -0.197 1.00 45.31 N ATOM 1171 CA GLU A 109 25.127 11.579 0.202 1.00 23.53 C ATOM 1172 C GLU A 109 24.832 11.884 1.680 1.00 32.24 C ATOM 1173 O GLU A 109 25.739 12.053 2.496 1.00 64.11 O ATOM 1174 CB GLU A 109 24.674 12.758 -0.676 1.00 64.44 C ATOM 1175 CG GLU A 109 24.783 12.499 -2.178 1.00 14.51 C ATOM 1176 CD GLU A 109 26.216 12.285 -2.646 1.00 44.42 C ATOM 1177 OE1 GLU A 109 26.908 13.285 -2.925 1.00 65.23 O ATOM 1178 OE2 GLU A 109 26.649 11.117 -2.748 1.00 34.15 O ATOM 0 H GLU A 109 23.687 10.500 -0.884 1.00 45.31 H new ATOM 0 HA GLU A 109 26.199 11.435 0.071 1.00 23.53 H new ATOM 0 HB2 GLU A 109 23.639 12.999 -0.435 1.00 64.44 H new ATOM 0 HB3 GLU A 109 25.272 13.634 -0.425 1.00 64.44 H new ATOM 0 HG2 GLU A 109 24.189 11.621 -2.433 1.00 14.51 H new ATOM 0 HG3 GLU A 109 24.353 13.343 -2.718 1.00 14.51 H new ATOM 1185 N THR A 110 23.538 11.921 1.999 1.00 23.35 N ATOM 1186 CA THR A 110 23.046 12.165 3.362 1.00 33.01 C ATOM 1187 C THR A 110 21.526 11.909 3.416 1.00 1.12 C ATOM 1188 O THR A 110 20.985 11.211 2.556 1.00 34.34 O ATOM 1189 CB THR A 110 23.351 13.615 3.827 1.00 0.12 C ATOM 1190 OG1 THR A 110 22.966 13.790 5.199 1.00 3.43 O ATOM 1191 CG2 THR A 110 22.624 14.639 2.962 1.00 23.05 C ATOM 0 H THR A 110 22.793 11.782 1.316 1.00 23.35 H new ATOM 0 HA THR A 110 23.562 11.481 4.036 1.00 33.01 H new ATOM 0 HB THR A 110 24.424 13.775 3.726 1.00 0.12 H new ATOM 0 HG1 THR A 110 23.082 12.945 5.682 1.00 3.43 H new ATOM 0 HG21 THR A 110 22.858 15.644 3.313 1.00 23.05 H new ATOM 0 HG22 THR A 110 22.945 14.533 1.926 1.00 23.05 H new ATOM 0 HG23 THR A 110 21.549 14.473 3.028 1.00 23.05 H new ATOM 1199 N GLY A 111 20.840 12.442 4.427 1.00 0.12 N ATOM 1200 CA GLY A 111 19.382 12.343 4.477 1.00 2.52 C ATOM 1201 C GLY A 111 18.881 11.113 5.224 1.00 30.20 C ATOM 1202 O GLY A 111 18.291 10.209 4.630 1.00 2.11 O ATOM 0 H GLY A 111 21.262 12.939 5.211 1.00 0.12 H new ATOM 0 HA2 GLY A 111 18.981 13.237 4.955 1.00 2.52 H new ATOM 0 HA3 GLY A 111 18.992 12.324 3.459 1.00 2.52 H new ATOM 1206 N LYS A 112 19.148 11.067 6.525 1.00 43.54 N ATOM 1207 CA LYS A 112 18.638 10.007 7.405 1.00 22.20 C ATOM 1208 C LYS A 112 17.859 10.624 8.579 1.00 62.44 C ATOM 1209 O LYS A 112 17.548 11.819 8.555 1.00 21.05 O ATOM 1210 CB LYS A 112 19.789 9.118 7.922 1.00 60.23 C ATOM 1211 CG LYS A 112 20.458 8.268 6.838 1.00 64.34 C ATOM 1212 CD LYS A 112 21.416 9.082 5.966 1.00 2.23 C ATOM 1213 CE LYS A 112 21.739 8.371 4.656 1.00 15.32 C ATOM 1214 NZ LYS A 112 20.541 8.251 3.778 1.00 5.50 N ATOM 0 H LYS A 112 19.723 11.760 7.004 1.00 43.54 H new ATOM 0 HA LYS A 112 17.961 9.376 6.829 1.00 22.20 H new ATOM 0 HB2 LYS A 112 20.543 9.753 8.388 1.00 60.23 H new ATOM 0 HB3 LYS A 112 19.403 8.458 8.699 1.00 60.23 H new ATOM 0 HG2 LYS A 112 21.005 7.450 7.307 1.00 64.34 H new ATOM 0 HG3 LYS A 112 19.691 7.818 6.208 1.00 64.34 H new ATOM 0 HD2 LYS A 112 20.973 10.055 5.751 1.00 2.23 H new ATOM 0 HD3 LYS A 112 22.339 9.266 6.516 1.00 2.23 H new ATOM 0 HE2 LYS A 112 22.521 8.918 4.130 1.00 15.32 H new ATOM 0 HE3 LYS A 112 22.133 7.378 4.870 1.00 15.32 H new ATOM 0 HZ1 LYS A 112 20.845 8.102 2.795 1.00 5.50 H new ATOM 0 HZ2 LYS A 112 19.963 7.444 4.088 1.00 5.50 H new ATOM 0 HZ3 LYS A 112 19.978 9.123 3.838 1.00 5.50 H new ATOM 1228 N ASP A 113 17.538 9.813 9.595 1.00 75.54 N ATOM 1229 CA ASP A 113 16.747 10.274 10.750 1.00 32.30 C ATOM 1230 C ASP A 113 15.281 10.529 10.341 1.00 0.10 C ATOM 1231 O ASP A 113 14.381 9.780 10.725 1.00 11.22 O ATOM 1232 CB ASP A 113 17.391 11.532 11.369 1.00 45.33 C ATOM 1233 CG ASP A 113 16.657 12.045 12.594 1.00 13.41 C ATOM 1234 OD1 ASP A 113 16.945 11.569 13.711 1.00 31.02 O ATOM 1235 OD2 ASP A 113 15.804 12.949 12.453 1.00 50.10 O ATOM 0 H ASP A 113 17.813 8.832 9.643 1.00 75.54 H new ATOM 0 HA ASP A 113 16.742 9.491 11.509 1.00 32.30 H new ATOM 0 HB2 ASP A 113 18.422 11.307 11.641 1.00 45.33 H new ATOM 0 HB3 ASP A 113 17.424 12.321 10.618 1.00 45.33 H new ATOM 1240 N LEU A 114 15.062 11.589 9.560 1.00 11.10 N ATOM 1241 CA LEU A 114 13.749 11.882 8.953 1.00 34.44 C ATOM 1242 C LEU A 114 12.607 11.963 9.986 1.00 74.42 C ATOM 1243 O LEU A 114 12.835 12.021 11.196 1.00 72.11 O ATOM 1244 CB LEU A 114 13.414 10.804 7.908 1.00 23.13 C ATOM 1245 CG LEU A 114 14.452 10.612 6.788 1.00 14.14 C ATOM 1246 CD1 LEU A 114 14.043 9.462 5.869 1.00 34.33 C ATOM 1247 CD2 LEU A 114 14.641 11.906 5.993 1.00 64.23 C ATOM 0 H LEU A 114 15.784 12.271 9.327 1.00 11.10 H new ATOM 0 HA LEU A 114 13.829 12.864 8.487 1.00 34.44 H new ATOM 0 HB2 LEU A 114 13.284 9.853 8.424 1.00 23.13 H new ATOM 0 HB3 LEU A 114 12.456 11.053 7.451 1.00 23.13 H new ATOM 0 HG LEU A 114 15.407 10.358 7.247 1.00 14.14 H new ATOM 0 HD11 LEU A 114 14.789 9.341 5.083 1.00 34.33 H new ATOM 0 HD12 LEU A 114 13.973 8.541 6.448 1.00 34.33 H new ATOM 0 HD13 LEU A 114 13.075 9.682 5.419 1.00 34.33 H new ATOM 0 HD21 LEU A 114 15.379 11.746 5.207 1.00 64.23 H new ATOM 0 HD22 LEU A 114 13.692 12.200 5.545 1.00 64.23 H new ATOM 0 HD23 LEU A 114 14.987 12.696 6.660 1.00 64.23 H new ATOM 1259 N LEU A 115 11.374 12.002 9.485 1.00 51.42 N ATOM 1260 CA LEU A 115 10.182 11.935 10.334 1.00 53.14 C ATOM 1261 C LEU A 115 8.922 11.605 9.515 1.00 35.54 C ATOM 1262 O LEU A 115 8.653 12.240 8.495 1.00 51.12 O ATOM 1263 CB LEU A 115 9.951 13.259 11.067 1.00 73.22 C ATOM 1264 CG LEU A 115 8.761 13.243 12.043 1.00 45.23 C ATOM 1265 CD1 LEU A 115 9.126 12.535 13.344 1.00 35.14 C ATOM 1266 CD2 LEU A 115 8.257 14.652 12.307 1.00 25.25 C ATOM 0 H LEU A 115 11.172 12.080 8.488 1.00 51.42 H new ATOM 0 HA LEU A 115 10.360 11.139 11.057 1.00 53.14 H new ATOM 0 HB2 LEU A 115 10.855 13.518 11.619 1.00 73.22 H new ATOM 0 HB3 LEU A 115 9.791 14.046 10.330 1.00 73.22 H new ATOM 0 HG LEU A 115 7.952 12.680 11.577 1.00 45.23 H new ATOM 0 HD11 LEU A 115 8.266 12.539 14.014 1.00 35.14 H new ATOM 0 HD12 LEU A 115 9.414 11.506 13.130 1.00 35.14 H new ATOM 0 HD13 LEU A 115 9.959 13.053 13.819 1.00 35.14 H new ATOM 0 HD21 LEU A 115 7.416 14.614 12.999 1.00 25.25 H new ATOM 0 HD22 LEU A 115 9.058 15.250 12.742 1.00 25.25 H new ATOM 0 HD23 LEU A 115 7.935 15.105 11.369 1.00 25.25 H new ATOM 1278 N PRO A 116 8.135 10.602 9.946 1.00 21.13 N ATOM 1279 CA PRO A 116 6.826 10.309 9.345 1.00 53.41 C ATOM 1280 C PRO A 116 5.720 11.248 9.867 1.00 11.43 C ATOM 1281 O PRO A 116 5.603 11.479 11.072 1.00 11.13 O ATOM 1282 CB PRO A 116 6.566 8.868 9.792 1.00 21.11 C ATOM 1283 CG PRO A 116 7.263 8.751 11.107 1.00 41.21 C ATOM 1284 CD PRO A 116 8.465 9.664 11.036 1.00 33.34 C ATOM 0 HA PRO A 116 6.822 10.447 8.264 1.00 53.41 H new ATOM 0 HB2 PRO A 116 5.499 8.670 9.890 1.00 21.11 H new ATOM 0 HB3 PRO A 116 6.958 8.152 9.070 1.00 21.11 H new ATOM 0 HG2 PRO A 116 6.602 9.042 11.924 1.00 41.21 H new ATOM 0 HG3 PRO A 116 7.568 7.721 11.295 1.00 41.21 H new ATOM 0 HD2 PRO A 116 8.625 10.187 11.979 1.00 33.34 H new ATOM 0 HD3 PRO A 116 9.377 9.107 10.821 1.00 33.34 H new ATOM 1292 N VAL A 117 4.909 11.793 8.961 1.00 74.13 N ATOM 1293 CA VAL A 117 3.820 12.701 9.347 1.00 25.13 C ATOM 1294 C VAL A 117 2.481 11.957 9.515 1.00 0.33 C ATOM 1295 O VAL A 117 1.971 11.343 8.578 1.00 4.01 O ATOM 1296 CB VAL A 117 3.657 13.861 8.329 1.00 61.40 C ATOM 1297 CG1 VAL A 117 4.882 14.775 8.360 1.00 4.04 C ATOM 1298 CG2 VAL A 117 3.423 13.329 6.913 1.00 33.11 C ATOM 0 H VAL A 117 4.982 11.625 7.958 1.00 74.13 H new ATOM 0 HA VAL A 117 4.098 13.123 10.313 1.00 25.13 H new ATOM 0 HB VAL A 117 2.780 14.440 8.619 1.00 61.40 H new ATOM 0 HG11 VAL A 117 4.751 15.583 7.640 1.00 4.04 H new ATOM 0 HG12 VAL A 117 4.998 15.194 9.359 1.00 4.04 H new ATOM 0 HG13 VAL A 117 5.772 14.200 8.102 1.00 4.04 H new ATOM 0 HG21 VAL A 117 3.313 14.166 6.223 1.00 33.11 H new ATOM 0 HG22 VAL A 117 4.273 12.718 6.609 1.00 33.11 H new ATOM 0 HG23 VAL A 117 2.517 12.724 6.897 1.00 33.11 H new ATOM 1308 N VAL A 118 1.923 12.004 10.727 1.00 21.42 N ATOM 1309 CA VAL A 118 0.631 11.362 11.018 1.00 64.02 C ATOM 1310 C VAL A 118 -0.508 12.398 11.078 1.00 75.23 C ATOM 1311 O VAL A 118 -0.453 13.355 11.854 1.00 51.04 O ATOM 1312 CB VAL A 118 0.683 10.555 12.346 1.00 43.11 C ATOM 1313 CG1 VAL A 118 1.675 9.400 12.229 1.00 44.15 C ATOM 1314 CG2 VAL A 118 1.044 11.454 13.533 1.00 54.11 C ATOM 0 H VAL A 118 2.343 12.479 11.526 1.00 21.42 H new ATOM 0 HA VAL A 118 0.429 10.669 10.201 1.00 64.02 H new ATOM 0 HB VAL A 118 -0.311 10.147 12.528 1.00 43.11 H new ATOM 0 HG11 VAL A 118 1.700 8.845 13.167 1.00 44.15 H new ATOM 0 HG12 VAL A 118 1.366 8.735 11.422 1.00 44.15 H new ATOM 0 HG13 VAL A 118 2.668 9.794 12.014 1.00 44.15 H new ATOM 0 HG21 VAL A 118 1.072 10.858 14.445 1.00 54.11 H new ATOM 0 HG22 VAL A 118 2.022 11.905 13.364 1.00 54.11 H new ATOM 0 HG23 VAL A 118 0.295 12.240 13.635 1.00 54.11 H new ATOM 1324 N GLU A 119 -1.537 12.204 10.252 1.00 40.15 N ATOM 1325 CA GLU A 119 -2.643 13.166 10.154 1.00 42.14 C ATOM 1326 C GLU A 119 -3.887 12.510 9.511 1.00 5.40 C ATOM 1327 O GLU A 119 -3.756 11.575 8.719 1.00 4.23 O ATOM 1328 CB GLU A 119 -2.180 14.385 9.331 1.00 54.11 C ATOM 1329 CG GLU A 119 -3.044 15.628 9.505 1.00 32.33 C ATOM 1330 CD GLU A 119 -2.579 16.792 8.640 1.00 51.43 C ATOM 1331 OE1 GLU A 119 -3.016 16.891 7.475 1.00 70.40 O ATOM 1332 OE2 GLU A 119 -1.769 17.614 9.118 1.00 50.21 O ATOM 0 H GLU A 119 -1.630 11.392 9.641 1.00 40.15 H new ATOM 0 HA GLU A 119 -2.925 13.493 11.155 1.00 42.14 H new ATOM 0 HB2 GLU A 119 -1.155 14.628 9.610 1.00 54.11 H new ATOM 0 HB3 GLU A 119 -2.167 14.112 8.276 1.00 54.11 H new ATOM 0 HG2 GLU A 119 -4.077 15.385 9.256 1.00 32.33 H new ATOM 0 HG3 GLU A 119 -3.031 15.931 10.552 1.00 32.33 H new ATOM 1339 N ILE A 120 -5.085 13.015 9.850 1.00 32.11 N ATOM 1340 CA ILE A 120 -6.366 12.452 9.369 1.00 14.43 C ATOM 1341 C ILE A 120 -6.611 10.997 9.830 1.00 41.14 C ATOM 1342 O ILE A 120 -5.791 10.107 9.608 1.00 22.11 O ATOM 1343 CB ILE A 120 -6.495 12.535 7.815 1.00 44.42 C ATOM 1344 CG1 ILE A 120 -6.884 13.954 7.364 1.00 10.41 C ATOM 1345 CG2 ILE A 120 -7.508 11.518 7.279 1.00 0.03 C ATOM 1346 CD1 ILE A 120 -5.893 15.029 7.735 1.00 63.52 C ATOM 0 H ILE A 120 -5.197 13.822 10.463 1.00 32.11 H new ATOM 0 HA ILE A 120 -7.134 13.076 9.826 1.00 14.43 H new ATOM 0 HB ILE A 120 -5.516 12.293 7.400 1.00 44.42 H new ATOM 0 HG12 ILE A 120 -7.011 13.954 6.281 1.00 10.41 H new ATOM 0 HG13 ILE A 120 -7.852 14.206 7.798 1.00 10.41 H new ATOM 0 HG21 ILE A 120 -7.571 11.605 6.194 1.00 0.03 H new ATOM 0 HG22 ILE A 120 -7.187 10.511 7.544 1.00 0.03 H new ATOM 0 HG23 ILE A 120 -8.487 11.714 7.717 1.00 0.03 H new ATOM 0 HD11 ILE A 120 -6.251 15.994 7.376 1.00 63.52 H new ATOM 0 HD12 ILE A 120 -5.782 15.063 8.819 1.00 63.52 H new ATOM 0 HD13 ILE A 120 -4.928 14.808 7.278 1.00 63.52 H new ATOM 1358 N ILE A 121 -7.761 10.771 10.473 1.00 52.44 N ATOM 1359 CA ILE A 121 -8.228 9.416 10.808 1.00 1.13 C ATOM 1360 C ILE A 121 -9.503 9.058 10.020 1.00 3.53 C ATOM 1361 O ILE A 121 -10.152 9.934 9.442 1.00 13.01 O ATOM 1362 CB ILE A 121 -8.459 9.241 12.340 1.00 63.41 C ATOM 1363 CG1 ILE A 121 -9.330 10.375 12.932 1.00 54.05 C ATOM 1364 CG2 ILE A 121 -7.119 9.167 13.068 1.00 41.45 C ATOM 1365 CD1 ILE A 121 -10.817 10.245 12.658 1.00 74.31 C ATOM 0 H ILE A 121 -8.392 11.513 10.775 1.00 52.44 H new ATOM 0 HA ILE A 121 -7.438 8.724 10.516 1.00 1.13 H new ATOM 0 HB ILE A 121 -9.002 8.307 12.485 1.00 63.41 H new ATOM 0 HG12 ILE A 121 -9.175 10.408 14.010 1.00 54.05 H new ATOM 0 HG13 ILE A 121 -8.983 11.327 12.531 1.00 54.05 H new ATOM 0 HG21 ILE A 121 -7.292 9.045 14.137 1.00 41.45 H new ATOM 0 HG22 ILE A 121 -6.548 8.318 12.693 1.00 41.45 H new ATOM 0 HG23 ILE A 121 -6.559 10.086 12.894 1.00 41.45 H new ATOM 0 HD11 ILE A 121 -11.345 11.084 13.111 1.00 74.31 H new ATOM 0 HD12 ILE A 121 -10.990 10.246 11.582 1.00 74.31 H new ATOM 0 HD13 ILE A 121 -11.185 9.312 13.084 1.00 74.31 H new ATOM 1377 N ASN A 122 -9.865 7.776 10.004 1.00 65.11 N ATOM 1378 CA ASN A 122 -10.990 7.297 9.184 1.00 13.03 C ATOM 1379 C ASN A 122 -12.235 6.991 10.042 1.00 64.44 C ATOM 1380 O ASN A 122 -12.128 6.655 11.222 1.00 61.02 O ATOM 1381 CB ASN A 122 -10.560 6.032 8.419 1.00 13.21 C ATOM 1382 CG ASN A 122 -11.457 5.708 7.229 1.00 33.44 C ATOM 1383 OD1 ASN A 122 -12.626 6.075 7.185 1.00 12.11 O ATOM 1384 ND2 ASN A 122 -10.917 5.003 6.256 1.00 54.32 N ATOM 0 H ASN A 122 -9.400 7.048 10.546 1.00 65.11 H new ATOM 0 HA ASN A 122 -11.259 8.087 8.483 1.00 13.03 H new ATOM 0 HB2 ASN A 122 -9.536 6.159 8.068 1.00 13.21 H new ATOM 0 HB3 ASN A 122 -10.559 5.185 9.105 1.00 13.21 H new ATOM 0 HD21 ASN A 122 -11.474 4.749 5.440 1.00 54.32 H new ATOM 0 HD22 ASN A 122 -9.942 4.711 6.319 1.00 54.32 H new ATOM 1391 N SER A 123 -13.413 7.097 9.425 1.00 24.32 N ATOM 1392 CA SER A 123 -14.692 6.761 10.083 1.00 74.21 C ATOM 1393 C SER A 123 -14.984 5.248 9.995 1.00 71.00 C ATOM 1394 O SER A 123 -16.133 4.814 10.105 1.00 71.24 O ATOM 1395 CB SER A 123 -15.843 7.548 9.430 1.00 12.02 C ATOM 1396 OG SER A 123 -15.626 8.952 9.508 1.00 43.31 O ATOM 0 H SER A 123 -13.515 7.415 8.461 1.00 24.32 H new ATOM 0 HA SER A 123 -14.612 7.035 11.135 1.00 74.21 H new ATOM 0 HB2 SER A 123 -15.941 7.252 8.386 1.00 12.02 H new ATOM 0 HB3 SER A 123 -16.782 7.296 9.922 1.00 12.02 H new ATOM 0 HG SER A 123 -16.373 9.423 9.083 1.00 43.31 H new ATOM 1402 N GLU A 124 -13.929 4.458 9.806 1.00 0.54 N ATOM 1403 CA GLU A 124 -14.029 2.994 9.701 1.00 13.32 C ATOM 1404 C GLU A 124 -14.471 2.339 11.025 1.00 12.41 C ATOM 1405 O GLU A 124 -14.667 3.019 12.033 1.00 61.05 O ATOM 1406 CB GLU A 124 -12.663 2.431 9.293 1.00 41.24 C ATOM 1407 CG GLU A 124 -11.539 2.881 10.220 1.00 13.03 C ATOM 1408 CD GLU A 124 -10.193 2.266 9.879 1.00 33.44 C ATOM 1409 OE1 GLU A 124 -9.575 2.696 8.883 1.00 41.33 O ATOM 1410 OE2 GLU A 124 -9.736 1.377 10.629 1.00 55.43 O ATOM 0 H GLU A 124 -12.976 4.811 9.720 1.00 0.54 H new ATOM 0 HA GLU A 124 -14.787 2.765 8.952 1.00 13.32 H new ATOM 0 HB2 GLU A 124 -12.710 1.342 9.288 1.00 41.24 H new ATOM 0 HB3 GLU A 124 -12.435 2.744 8.274 1.00 41.24 H new ATOM 0 HG2 GLU A 124 -11.455 3.967 10.177 1.00 13.03 H new ATOM 0 HG3 GLU A 124 -11.799 2.622 11.246 1.00 13.03 H new ATOM 1417 N ALA A 125 -14.639 1.010 10.998 1.00 3.22 N ATOM 1418 CA ALA A 125 -14.977 0.209 12.196 1.00 10.45 C ATOM 1419 C ALA A 125 -16.445 0.378 12.634 1.00 62.42 C ATOM 1420 O ALA A 125 -17.082 -0.581 13.073 1.00 62.23 O ATOM 1421 CB ALA A 125 -14.028 0.526 13.353 1.00 65.20 C ATOM 0 H ALA A 125 -14.546 0.454 10.148 1.00 3.22 H new ATOM 0 HA ALA A 125 -14.851 -0.836 11.914 1.00 10.45 H new ATOM 0 HB1 ALA A 125 -14.298 -0.076 14.221 1.00 65.20 H new ATOM 0 HB2 ALA A 125 -13.004 0.297 13.057 1.00 65.20 H new ATOM 0 HB3 ALA A 125 -14.104 1.583 13.607 1.00 65.20 H new ATOM 1427 N ALA A 126 -16.982 1.594 12.511 1.00 43.35 N ATOM 1428 CA ALA A 126 -18.378 1.874 12.870 1.00 11.35 C ATOM 1429 C ALA A 126 -19.370 1.135 11.957 1.00 3.51 C ATOM 1430 O ALA A 126 -20.552 1.009 12.281 1.00 44.23 O ATOM 1431 CB ALA A 126 -18.635 3.377 12.822 1.00 54.13 C ATOM 0 H ALA A 126 -16.470 2.405 12.164 1.00 43.35 H new ATOM 0 HA ALA A 126 -18.538 1.508 13.884 1.00 11.35 H new ATOM 0 HB1 ALA A 126 -19.673 3.577 13.089 1.00 54.13 H new ATOM 0 HB2 ALA A 126 -17.975 3.882 13.527 1.00 54.13 H new ATOM 0 HB3 ALA A 126 -18.442 3.747 11.815 1.00 54.13 H new ATOM 1437 N VAL A 127 -18.884 0.651 10.813 1.00 11.11 N ATOM 1438 CA VAL A 127 -19.724 -0.080 9.858 1.00 14.14 C ATOM 1439 C VAL A 127 -19.680 -1.598 10.118 1.00 14.40 C ATOM 1440 O VAL A 127 -18.729 -2.278 9.729 1.00 50.42 O ATOM 1441 CB VAL A 127 -19.295 0.203 8.390 1.00 45.13 C ATOM 1442 CG1 VAL A 127 -20.213 -0.511 7.395 1.00 20.05 C ATOM 1443 CG2 VAL A 127 -19.267 1.707 8.119 1.00 24.45 C ATOM 0 H VAL A 127 -17.911 0.751 10.523 1.00 11.11 H new ATOM 0 HA VAL A 127 -20.744 0.275 10.002 1.00 14.14 H new ATOM 0 HB VAL A 127 -18.288 -0.191 8.253 1.00 45.13 H new ATOM 0 HG11 VAL A 127 -19.887 -0.293 6.378 1.00 20.05 H new ATOM 0 HG12 VAL A 127 -20.170 -1.586 7.567 1.00 20.05 H new ATOM 0 HG13 VAL A 127 -21.237 -0.163 7.530 1.00 20.05 H new ATOM 0 HG21 VAL A 127 -18.965 1.885 7.087 1.00 24.45 H new ATOM 0 HG22 VAL A 127 -20.260 2.125 8.283 1.00 24.45 H new ATOM 0 HG23 VAL A 127 -18.556 2.185 8.793 1.00 24.45 H new ATOM 1453 N LEU A 128 -20.704 -2.118 10.796 1.00 22.53 N ATOM 1454 CA LEU A 128 -20.820 -3.563 11.048 1.00 33.11 C ATOM 1455 C LEU A 128 -22.215 -4.077 10.649 1.00 3.13 C ATOM 1456 O LEU A 128 -23.195 -3.904 11.379 1.00 11.22 O ATOM 1457 CB LEU A 128 -20.511 -3.911 12.524 1.00 23.20 C ATOM 1458 CG LEU A 128 -21.395 -3.239 13.602 1.00 52.30 C ATOM 1459 CD1 LEU A 128 -21.238 -3.946 14.947 1.00 52.34 C ATOM 1460 CD2 LEU A 128 -21.053 -1.759 13.744 1.00 52.45 C ATOM 0 H LEU A 128 -21.468 -1.563 11.183 1.00 22.53 H new ATOM 0 HA LEU A 128 -20.077 -4.064 10.428 1.00 33.11 H new ATOM 0 HB2 LEU A 128 -20.594 -4.991 12.642 1.00 23.20 H new ATOM 0 HB3 LEU A 128 -19.472 -3.647 12.724 1.00 23.20 H new ATOM 0 HG LEU A 128 -22.433 -3.323 13.282 1.00 52.30 H new ATOM 0 HD11 LEU A 128 -21.868 -3.458 15.690 1.00 52.34 H new ATOM 0 HD12 LEU A 128 -21.537 -4.989 14.847 1.00 52.34 H new ATOM 0 HD13 LEU A 128 -20.197 -3.896 15.265 1.00 52.34 H new ATOM 0 HD21 LEU A 128 -21.688 -1.310 14.508 1.00 52.45 H new ATOM 0 HD22 LEU A 128 -20.008 -1.653 14.034 1.00 52.45 H new ATOM 0 HD23 LEU A 128 -21.218 -1.254 12.792 1.00 52.45 H new ATOM 1472 N GLU A 129 -22.296 -4.708 9.480 1.00 71.42 N ATOM 1473 CA GLU A 129 -23.576 -5.165 8.924 1.00 52.12 C ATOM 1474 C GLU A 129 -24.144 -6.373 9.693 1.00 11.32 C ATOM 1475 O GLU A 129 -23.468 -7.385 9.869 1.00 74.53 O ATOM 1476 CB GLU A 129 -23.395 -5.521 7.442 1.00 54.43 C ATOM 1477 CG GLU A 129 -24.694 -5.873 6.723 1.00 3.31 C ATOM 1478 CD GLU A 129 -24.477 -6.222 5.259 1.00 35.12 C ATOM 1479 OE1 GLU A 129 -24.359 -5.294 4.428 1.00 40.50 O ATOM 1480 OE2 GLU A 129 -24.424 -7.423 4.925 1.00 2.32 O ATOM 0 H GLU A 129 -21.488 -4.917 8.894 1.00 71.42 H new ATOM 0 HA GLU A 129 -24.293 -4.351 9.025 1.00 52.12 H new ATOM 0 HB2 GLU A 129 -22.926 -4.679 6.932 1.00 54.43 H new ATOM 0 HB3 GLU A 129 -22.709 -6.364 7.363 1.00 54.43 H new ATOM 0 HG2 GLU A 129 -25.167 -6.716 7.227 1.00 3.31 H new ATOM 0 HG3 GLU A 129 -25.383 -5.032 6.794 1.00 3.31 H new ATOM 1487 N HIS A 130 -25.391 -6.255 10.146 1.00 73.22 N ATOM 1488 CA HIS A 130 -26.070 -7.342 10.866 1.00 53.54 C ATOM 1489 C HIS A 130 -27.578 -7.341 10.560 1.00 63.01 C ATOM 1490 O HIS A 130 -28.201 -6.285 10.502 1.00 22.33 O ATOM 1491 CB HIS A 130 -25.821 -7.208 12.372 1.00 42.32 C ATOM 1492 CG HIS A 130 -26.223 -5.879 12.939 1.00 73.23 C ATOM 1493 ND1 HIS A 130 -25.423 -4.759 12.868 1.00 30.04 N ATOM 1494 CD2 HIS A 130 -27.346 -5.491 13.589 1.00 4.14 C ATOM 1495 CE1 HIS A 130 -26.032 -3.747 13.447 1.00 13.31 C ATOM 1496 NE2 HIS A 130 -27.201 -4.161 13.892 1.00 52.25 N ATOM 0 H HIS A 130 -25.958 -5.415 10.029 1.00 73.22 H new ATOM 0 HA HIS A 130 -25.661 -8.294 10.528 1.00 53.54 H new ATOM 0 HB2 HIS A 130 -26.368 -7.994 12.892 1.00 42.32 H new ATOM 0 HB3 HIS A 130 -24.762 -7.371 12.571 1.00 42.32 H new ATOM 0 HD1 HIS A 130 -24.501 -4.721 12.434 1.00 30.04 H new ATOM 0 HD2 HIS A 130 -28.197 -6.113 13.825 1.00 4.14 H new ATOM 0 HE1 HIS A 130 -25.640 -2.745 13.542 1.00 13.31 H new ATOM 1505 N HIS A 131 -28.158 -8.526 10.385 1.00 42.54 N ATOM 1506 CA HIS A 131 -29.557 -8.650 9.951 1.00 13.41 C ATOM 1507 C HIS A 131 -30.542 -8.582 11.131 1.00 71.22 C ATOM 1508 O HIS A 131 -30.323 -9.203 12.177 1.00 64.55 O ATOM 1509 CB HIS A 131 -29.752 -9.970 9.198 1.00 0.31 C ATOM 1510 CG HIS A 131 -28.829 -10.132 8.029 1.00 62.03 C ATOM 1511 ND1 HIS A 131 -27.679 -10.891 8.076 1.00 34.05 N ATOM 1512 CD2 HIS A 131 -28.894 -9.637 6.771 1.00 61.22 C ATOM 1513 CE1 HIS A 131 -27.081 -10.857 6.905 1.00 63.23 C ATOM 1514 NE2 HIS A 131 -27.797 -10.105 6.097 1.00 74.24 N ATOM 0 H HIS A 131 -27.685 -9.417 10.536 1.00 42.54 H new ATOM 0 HA HIS A 131 -29.769 -7.806 9.294 1.00 13.41 H new ATOM 0 HB2 HIS A 131 -29.600 -10.799 9.889 1.00 0.31 H new ATOM 0 HB3 HIS A 131 -30.783 -10.031 8.849 1.00 0.31 H new ATOM 0 HD2 HIS A 131 -29.665 -8.994 6.373 1.00 61.22 H new ATOM 0 HE1 HIS A 131 -26.160 -11.360 6.650 1.00 63.23 H new ATOM 0 HE2 HIS A 131 -27.571 -9.903 5.123 1.00 74.24 H new ATOM 1523 N HIS A 132 -31.628 -7.827 10.960 1.00 70.21 N ATOM 1524 CA HIS A 132 -32.689 -7.761 11.969 1.00 10.23 C ATOM 1525 C HIS A 132 -33.769 -8.819 11.684 1.00 44.14 C ATOM 1526 O HIS A 132 -34.673 -8.608 10.872 1.00 12.12 O ATOM 1527 CB HIS A 132 -33.304 -6.356 12.017 1.00 13.01 C ATOM 1528 CG HIS A 132 -34.201 -6.142 13.199 1.00 40.12 C ATOM 1529 ND1 HIS A 132 -35.570 -6.030 13.104 1.00 22.32 N ATOM 1530 CD2 HIS A 132 -33.911 -6.022 14.517 1.00 61.45 C ATOM 1531 CE1 HIS A 132 -36.080 -5.851 14.306 1.00 4.52 C ATOM 1532 NE2 HIS A 132 -35.098 -5.844 15.180 1.00 53.51 N ATOM 0 H HIS A 132 -31.797 -7.253 10.134 1.00 70.21 H new ATOM 0 HA HIS A 132 -32.250 -7.973 12.944 1.00 10.23 H new ATOM 0 HB2 HIS A 132 -32.503 -5.617 12.039 1.00 13.01 H new ATOM 0 HB3 HIS A 132 -33.872 -6.184 11.103 1.00 13.01 H new ATOM 0 HD2 HIS A 132 -32.928 -6.060 14.963 1.00 61.45 H new ATOM 0 HE1 HIS A 132 -37.129 -5.730 14.535 1.00 4.52 H new ATOM 0 HE2 HIS A 132 -35.202 -5.725 16.188 1.00 53.51 H new ATOM 1541 N HIS A 133 -33.656 -9.959 12.359 1.00 5.04 N ATOM 1542 CA HIS A 133 -34.502 -11.127 12.088 1.00 65.31 C ATOM 1543 C HIS A 133 -35.975 -10.893 12.482 1.00 50.22 C ATOM 1544 O HIS A 133 -36.267 -10.237 13.482 1.00 52.41 O ATOM 1545 CB HIS A 133 -33.932 -12.341 12.835 1.00 35.42 C ATOM 1546 CG HIS A 133 -34.678 -13.618 12.600 1.00 11.21 C ATOM 1547 ND1 HIS A 133 -34.829 -14.185 11.354 1.00 55.21 N ATOM 1548 CD2 HIS A 133 -35.308 -14.451 13.463 1.00 32.23 C ATOM 1549 CE1 HIS A 133 -35.515 -15.303 11.460 1.00 0.44 C ATOM 1550 NE2 HIS A 133 -35.817 -15.489 12.727 1.00 4.41 N ATOM 0 H HIS A 133 -32.979 -10.104 13.108 1.00 5.04 H new ATOM 0 HA HIS A 133 -34.494 -11.309 11.013 1.00 65.31 H new ATOM 0 HB2 HIS A 133 -32.893 -12.481 12.536 1.00 35.42 H new ATOM 0 HB3 HIS A 133 -33.930 -12.127 13.904 1.00 35.42 H new ATOM 0 HD2 HIS A 133 -35.393 -14.321 14.532 1.00 32.23 H new ATOM 0 HE1 HIS A 133 -35.785 -15.958 10.644 1.00 0.44 H new ATOM 0 HE2 HIS A 133 -36.344 -16.278 13.101 1.00 4.41 H new ATOM 1559 N HIS A 134 -36.896 -11.438 11.684 1.00 44.14 N ATOM 1560 CA HIS A 134 -38.337 -11.320 11.956 1.00 3.23 C ATOM 1561 C HIS A 134 -38.880 -12.543 12.714 1.00 11.11 C ATOM 1562 O HIS A 134 -38.269 -13.614 12.722 1.00 61.32 O ATOM 1563 CB HIS A 134 -39.118 -11.148 10.646 1.00 34.31 C ATOM 1564 CG HIS A 134 -38.911 -9.819 9.982 1.00 52.14 C ATOM 1565 ND1 HIS A 134 -39.817 -8.786 10.080 1.00 54.24 N ATOM 1566 CD2 HIS A 134 -37.906 -9.356 9.201 1.00 30.01 C ATOM 1567 CE1 HIS A 134 -39.384 -7.753 9.394 1.00 42.04 C ATOM 1568 NE2 HIS A 134 -38.228 -8.069 8.851 1.00 53.43 N ATOM 0 H HIS A 134 -36.672 -11.967 10.841 1.00 44.14 H new ATOM 0 HA HIS A 134 -38.472 -10.440 12.585 1.00 3.23 H new ATOM 0 HB2 HIS A 134 -38.825 -11.938 9.954 1.00 34.31 H new ATOM 0 HB3 HIS A 134 -40.181 -11.280 10.849 1.00 34.31 H new ATOM 0 HD2 HIS A 134 -37.019 -9.898 8.909 1.00 30.01 H new ATOM 0 HE1 HIS A 134 -39.891 -6.805 9.293 1.00 42.04 H new ATOM 0 HE2 HIS A 134 -37.662 -7.456 8.264 1.00 53.43 H new ATOM 1577 N HIS A 135 -40.041 -12.370 13.340 1.00 42.34 N ATOM 1578 CA HIS A 135 -40.711 -13.445 14.088 1.00 24.41 C ATOM 1579 C HIS A 135 -42.143 -13.689 13.557 1.00 54.01 C ATOM 1580 O HIS A 135 -42.388 -14.763 12.961 1.00 38.61 O ATOM 1581 CB HIS A 135 -40.725 -13.114 15.593 1.00 64.30 C ATOM 1582 CG HIS A 135 -41.159 -11.713 15.911 1.00 44.24 C ATOM 1583 ND1 HIS A 135 -42.474 -11.312 15.894 1.00 11.21 N ATOM 1584 CD2 HIS A 135 -40.442 -10.616 16.257 1.00 30.35 C ATOM 1585 CE1 HIS A 135 -42.552 -10.037 16.216 1.00 22.23 C ATOM 1586 NE2 HIS A 135 -41.336 -9.591 16.441 1.00 62.53 N ATOM 1587 OXT HIS A 135 -43.003 -12.790 13.704 1.00 38.61 O ATOM 0 H HIS A 135 -40.548 -11.485 13.347 1.00 42.34 H new ATOM 0 HA HIS A 135 -40.149 -14.368 13.942 1.00 24.41 H new ATOM 0 HB2 HIS A 135 -41.390 -13.812 16.101 1.00 64.30 H new ATOM 0 HB3 HIS A 135 -39.726 -13.274 15.998 1.00 64.30 H new ATOM 0 HD1 HIS A 135 -43.268 -11.910 15.667 1.00 11.21 H new ATOM 0 HD2 HIS A 135 -39.369 -10.559 16.367 1.00 30.35 H new ATOM 0 HE1 HIS A 135 -43.460 -9.457 16.284 1.00 22.23 H new TER 1596 HIS A 135