USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 932 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 NoAdj-H: A 49 HIS HD1 : A 49 HIS ND1 : A 201 CU1CU :(H bumps) USER MOD NoAdj-H: A 118 HIS HD1 : A 118 HIS ND1 : A 201 CU1CU :(H bumps) USER MOD Set 1.1: A 33 THR OG1 : rot -79:sc= 0.293 USER MOD Set 1.2: A 98 THR OG1 : rot 180:sc= 0.273 USER MOD Set 2.1: A 87 LYS NZ :NH3+ -165:sc= -0.178 (180deg=-0.608) USER MOD Set 2.2: A 95 SER OG : rot 180:sc= -0.0107 USER MOD Set 3.1: A 50 ASN : amide:sc= 0.265 K(o=1.7,f=-10!) USER MOD Set 3.2: A 114 THR OG1 : rot 144:sc= 1.42 USER MOD Set 4.1: A 42 GLN : amide:sc= -0.331 X(o=-0.33,f=-0.12) USER MOD Set 4.2: A 46 SER OG : rot 160:sc= 0 USER MOD Set 5.1: A 2 THR OG1 : rot 60:sc= 0.0738 USER MOD Set 5.2: A 24 GLN :FLIP amide:sc= 0.0424 F(o=-1.4!,f=0.12) USER MOD Set 6.1: A 16 MET CE :methyl 164:sc= -0.192 (180deg=-0.662) USER MOD Set 6.2: A 122 MET CE :methyl -173:sc= -3.58 (180deg=-4.14!) USER MOD Set 7.1: A 13 ASN :FLIP amide:sc= -1.61 F(o=-4.1!,f=-1.8) USER MOD Set 7.2: A 17 GLN :FLIP amide:sc= -0.208 F(o=-4.1,f=-1.8) USER MOD Set 8.1: A 6 CYS SG : rot -37:sc= -5.45! USER MOD Set 8.2: A 29 CYS SG : rot -108:sc= -5.23! USER MOD Set 9.1: A 5 ASN : amide:sc= 2.12 K(o=3.4,f=-4.6!) USER MOD Set 9.2: A 26 SER OG : rot 64:sc= 1.28 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN :FLIP amide:sc= -0.0217 F(o=-1.4!,f=-0.022) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot -121:sc= 0.733 USER MOD Single : A 21 LYS NZ :NH3+ 165:sc= -0.0602 (180deg=-0.313) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 164:sc= -0.062 (180deg=-0.321) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.05 USER MOD Single : A 37 LYS NZ :NH3+ 151:sc= 1.85 (180deg=1.2) USER MOD Single : A 38 HIS : +bothHN:sc= -1.07! C(o=-1.1!,f=-4.7!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -170:sc=-0.00533 (180deg=-0.111) USER MOD Single : A 47 MET CE :methyl 161:sc= -0.0627 (180deg=-0.49) USER MOD Single : A 55 LYS NZ :NH3+ -137:sc= -0.0416 (180deg=-1.6!) USER MOD Single : A 59 MET CE :methyl -149:sc= -0.3 (180deg=-1.71) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 109:sc= -0.81! USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 166:sc= 1.19 (180deg=1.06) USER MOD Single : A 85 HIS : no HD1:sc= -0.259 K(o=-0.26,f=-5.4!) USER MOD Single : A 86 THR OG1 : rot -160:sc= 0.978 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 164:sc= -0.0628 (180deg=-0.363) USER MOD Single : A 109 TYR OH : rot 36:sc= 1.16 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 ASN : amide:sc= 0.402 X(o=0.4,f=-0.048) USER MOD Single : A 125 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0526) USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 16.689 14.923 -2.009 1.00 2.91 N ATOM 2 CA ALA A 1 17.508 13.705 -2.196 1.00 2.57 C ATOM 3 C ALA A 1 16.615 12.498 -2.456 1.00 1.99 C ATOM 4 O ALA A 1 15.873 12.062 -1.572 1.00 2.38 O ATOM 5 CB ALA A 1 18.387 13.469 -0.976 1.00 3.08 C ATOM 0 H1 ALA A 1 17.312 15.737 -1.833 1.00 2.91 H new ATOM 0 H2 ALA A 1 16.126 15.097 -2.866 1.00 2.91 H new ATOM 0 H3 ALA A 1 16.053 14.792 -1.197 1.00 2.91 H new ATOM 0 HA ALA A 1 18.152 13.847 -3.064 1.00 2.57 H new ATOM 0 HB1 ALA A 1 18.984 12.570 -1.126 1.00 3.08 H new ATOM 0 HB2 ALA A 1 19.048 14.324 -0.833 1.00 3.08 H new ATOM 0 HB3 ALA A 1 17.759 13.344 -0.094 1.00 3.08 H new ATOM 13 N THR A 2 16.693 11.958 -3.664 1.00 1.76 N ATOM 14 CA THR A 2 15.846 10.843 -4.067 1.00 1.96 C ATOM 15 C THR A 2 16.276 9.547 -3.383 1.00 1.89 C ATOM 16 O THR A 2 15.513 8.585 -3.320 1.00 2.41 O ATOM 17 CB THR A 2 15.861 10.650 -5.602 1.00 2.75 C ATOM 18 OG1 THR A 2 14.927 9.633 -5.982 1.00 3.16 O ATOM 19 CG2 THR A 2 17.252 10.269 -6.097 1.00 3.52 C ATOM 0 H THR A 2 17.339 12.276 -4.387 1.00 1.76 H new ATOM 0 HA THR A 2 14.830 11.085 -3.755 1.00 1.96 H new ATOM 0 HB THR A 2 15.577 11.598 -6.059 1.00 2.75 H new ATOM 0 HG1 THR A 2 14.026 9.892 -5.695 1.00 3.16 H new ATOM 0 HG21 THR A 2 17.230 10.140 -7.179 1.00 3.52 H new ATOM 0 HG22 THR A 2 17.959 11.058 -5.839 1.00 3.52 H new ATOM 0 HG23 THR A 2 17.563 9.336 -5.627 1.00 3.52 H new ATOM 27 N ALA A 3 17.500 9.531 -2.874 1.00 1.90 N ATOM 28 CA ALA A 3 18.034 8.364 -2.191 1.00 2.01 C ATOM 29 C ALA A 3 18.255 8.666 -0.715 1.00 1.85 C ATOM 30 O ALA A 3 19.208 8.179 -0.101 1.00 2.22 O ATOM 31 CB ALA A 3 19.335 7.923 -2.849 1.00 2.32 C ATOM 0 H ALA A 3 18.145 10.320 -2.923 1.00 1.90 H new ATOM 0 HA ALA A 3 17.312 7.551 -2.268 1.00 2.01 H new ATOM 0 HB1 ALA A 3 19.727 7.048 -2.330 1.00 2.32 H new ATOM 0 HB2 ALA A 3 19.148 7.672 -3.893 1.00 2.32 H new ATOM 0 HB3 ALA A 3 20.063 8.733 -2.795 1.00 2.32 H new ATOM 37 N GLY A 4 17.374 9.484 -0.149 1.00 1.52 N ATOM 38 CA GLY A 4 17.490 9.839 1.249 1.00 1.51 C ATOM 39 C GLY A 4 16.150 10.154 1.885 1.00 1.33 C ATOM 40 O GLY A 4 16.076 10.950 2.823 1.00 1.56 O ATOM 0 H GLY A 4 16.583 9.906 -0.635 1.00 1.52 H new ATOM 0 HA2 GLY A 4 17.961 9.018 1.790 1.00 1.51 H new ATOM 0 HA3 GLY A 4 18.146 10.704 1.347 1.00 1.51 H new ATOM 44 N ASN A 5 15.087 9.539 1.381 1.00 1.15 N ATOM 45 CA ASN A 5 13.754 9.753 1.937 1.00 0.97 C ATOM 46 C ASN A 5 13.369 8.586 2.841 1.00 0.71 C ATOM 47 O ASN A 5 13.567 7.423 2.489 1.00 0.69 O ATOM 48 CB ASN A 5 12.702 9.959 0.830 1.00 1.07 C ATOM 49 CG ASN A 5 12.501 8.743 -0.064 1.00 1.55 C ATOM 50 OD1 ASN A 5 13.422 7.966 -0.305 1.00 2.21 O ATOM 51 ND2 ASN A 5 11.291 8.578 -0.580 1.00 2.26 N ATOM 0 H ASN A 5 15.120 8.892 0.593 1.00 1.15 H new ATOM 0 HA ASN A 5 13.780 10.666 2.532 1.00 0.97 H new ATOM 0 HB2 ASN A 5 11.750 10.220 1.291 1.00 1.07 H new ATOM 0 HB3 ASN A 5 13.000 10.806 0.213 1.00 1.07 H new ATOM 0 HD21 ASN A 5 11.103 7.788 -1.197 1.00 2.26 H new ATOM 0 HD22 ASN A 5 10.548 9.241 -0.360 1.00 2.26 H new ATOM 58 N CYS A 6 12.839 8.903 4.014 1.00 0.62 N ATOM 59 CA CYS A 6 12.522 7.886 5.009 1.00 0.41 C ATOM 60 C CYS A 6 11.020 7.791 5.256 1.00 0.34 C ATOM 61 O CYS A 6 10.546 6.870 5.925 1.00 0.34 O ATOM 62 CB CYS A 6 13.242 8.199 6.320 1.00 0.49 C ATOM 63 SG CYS A 6 15.050 8.356 6.155 1.00 0.59 S ATOM 0 H CYS A 6 12.619 9.857 4.301 1.00 0.62 H new ATOM 0 HA CYS A 6 12.861 6.925 4.623 1.00 0.41 H new ATOM 0 HB2 CYS A 6 12.843 9.127 6.729 1.00 0.49 H new ATOM 0 HB3 CYS A 6 13.020 7.412 7.041 1.00 0.49 H new ATOM 0 HG CYS A 6 15.483 7.492 5.285 1.00 0.59 H new ATOM 68 N ALA A 7 10.272 8.737 4.709 1.00 0.32 N ATOM 69 CA ALA A 7 8.833 8.778 4.906 1.00 0.27 C ATOM 70 C ALA A 7 8.149 9.428 3.715 1.00 0.25 C ATOM 71 O ALA A 7 8.727 10.290 3.050 1.00 0.31 O ATOM 72 CB ALA A 7 8.495 9.530 6.184 1.00 0.31 C ATOM 0 H ALA A 7 10.640 9.488 4.124 1.00 0.32 H new ATOM 0 HA ALA A 7 8.469 7.755 4.997 1.00 0.27 H new ATOM 0 HB1 ALA A 7 7.413 9.552 6.318 1.00 0.31 H new ATOM 0 HB2 ALA A 7 8.956 9.027 7.035 1.00 0.31 H new ATOM 0 HB3 ALA A 7 8.873 10.550 6.117 1.00 0.31 H new ATOM 78 N ALA A 8 6.925 9.006 3.444 1.00 0.22 N ATOM 79 CA ALA A 8 6.151 9.555 2.344 1.00 0.22 C ATOM 80 C ALA A 8 4.675 9.619 2.707 1.00 0.19 C ATOM 81 O ALA A 8 4.175 8.792 3.472 1.00 0.20 O ATOM 82 CB ALA A 8 6.357 8.726 1.084 1.00 0.27 C ATOM 0 H ALA A 8 6.444 8.280 3.975 1.00 0.22 H new ATOM 0 HA ALA A 8 6.499 10.570 2.150 1.00 0.22 H new ATOM 0 HB1 ALA A 8 5.770 9.150 0.269 1.00 0.27 H new ATOM 0 HB2 ALA A 8 7.413 8.733 0.813 1.00 0.27 H new ATOM 0 HB3 ALA A 8 6.036 7.701 1.267 1.00 0.27 H new ATOM 88 N THR A 9 3.983 10.609 2.171 1.00 0.23 N ATOM 89 CA THR A 9 2.562 10.765 2.422 1.00 0.23 C ATOM 90 C THR A 9 1.779 10.570 1.130 1.00 0.23 C ATOM 91 O THR A 9 2.061 11.214 0.122 1.00 0.29 O ATOM 92 CB THR A 9 2.256 12.159 3.002 1.00 0.29 C ATOM 93 OG1 THR A 9 3.191 12.462 4.048 1.00 0.84 O ATOM 94 CG2 THR A 9 0.837 12.225 3.550 1.00 0.70 C ATOM 0 H THR A 9 4.384 11.318 1.558 1.00 0.23 H new ATOM 0 HA THR A 9 2.262 10.010 3.149 1.00 0.23 H new ATOM 0 HB THR A 9 2.348 12.891 2.200 1.00 0.29 H new ATOM 0 HG1 THR A 9 2.996 13.350 4.414 1.00 0.84 H new ATOM 0 HG21 THR A 9 0.649 13.220 3.953 1.00 0.70 H new ATOM 0 HG22 THR A 9 0.128 12.018 2.749 1.00 0.70 H new ATOM 0 HG23 THR A 9 0.718 11.485 4.341 1.00 0.70 H new ATOM 102 N VAL A 10 0.810 9.671 1.158 1.00 0.21 N ATOM 103 CA VAL A 10 0.018 9.374 -0.022 1.00 0.22 C ATOM 104 C VAL A 10 -1.445 9.712 0.223 1.00 0.22 C ATOM 105 O VAL A 10 -2.028 9.302 1.223 1.00 0.26 O ATOM 106 CB VAL A 10 0.139 7.890 -0.432 1.00 0.29 C ATOM 107 CG1 VAL A 10 -0.712 7.597 -1.658 1.00 0.62 C ATOM 108 CG2 VAL A 10 1.592 7.522 -0.694 1.00 0.87 C ATOM 0 H VAL A 10 0.553 9.134 1.986 1.00 0.21 H new ATOM 0 HA VAL A 10 0.406 9.987 -0.835 1.00 0.22 H new ATOM 0 HB VAL A 10 -0.228 7.280 0.394 1.00 0.29 H new ATOM 0 HG11 VAL A 10 -0.611 6.546 -1.928 1.00 0.62 H new ATOM 0 HG12 VAL A 10 -1.757 7.816 -1.437 1.00 0.62 H new ATOM 0 HG13 VAL A 10 -0.379 8.219 -2.489 1.00 0.62 H new ATOM 0 HG21 VAL A 10 1.655 6.472 -0.981 1.00 0.87 H new ATOM 0 HG22 VAL A 10 1.985 8.143 -1.499 1.00 0.87 H new ATOM 0 HG23 VAL A 10 2.178 7.686 0.210 1.00 0.87 H new ATOM 118 N GLU A 11 -2.026 10.470 -0.689 1.00 0.23 N ATOM 119 CA GLU A 11 -3.419 10.859 -0.576 1.00 0.25 C ATOM 120 C GLU A 11 -4.293 9.994 -1.478 1.00 0.23 C ATOM 121 O GLU A 11 -3.987 9.800 -2.657 1.00 0.29 O ATOM 122 CB GLU A 11 -3.585 12.337 -0.937 1.00 0.29 C ATOM 123 CG GLU A 11 -5.026 12.814 -0.936 1.00 1.09 C ATOM 124 CD GLU A 11 -5.167 14.215 -1.484 1.00 1.31 C ATOM 125 OE1 GLU A 11 -4.912 15.178 -0.735 1.00 1.14 O1- ATOM 126 OE2 GLU A 11 -5.526 14.360 -2.671 1.00 1.98 O ATOM 0 H GLU A 11 -1.553 10.829 -1.518 1.00 0.23 H new ATOM 0 HA GLU A 11 -3.737 10.710 0.456 1.00 0.25 H new ATOM 0 HB2 GLU A 11 -3.013 12.939 -0.231 1.00 0.29 H new ATOM 0 HB3 GLU A 11 -3.156 12.510 -1.924 1.00 0.29 H new ATOM 0 HG2 GLU A 11 -5.633 12.131 -1.531 1.00 1.09 H new ATOM 0 HG3 GLU A 11 -5.416 12.783 0.081 1.00 1.09 H new ATOM 133 N SER A 12 -5.365 9.465 -0.915 1.00 0.22 N ATOM 134 CA SER A 12 -6.334 8.700 -1.677 1.00 0.21 C ATOM 135 C SER A 12 -7.682 9.411 -1.652 1.00 0.20 C ATOM 136 O SER A 12 -8.116 9.907 -0.611 1.00 0.23 O ATOM 137 CB SER A 12 -6.457 7.278 -1.116 1.00 0.29 C ATOM 138 OG SER A 12 -6.551 7.291 0.299 1.00 0.97 O ATOM 0 H SER A 12 -5.587 9.553 0.077 1.00 0.22 H new ATOM 0 HA SER A 12 -5.996 8.624 -2.711 1.00 0.21 H new ATOM 0 HB2 SER A 12 -7.338 6.793 -1.537 1.00 0.29 H new ATOM 0 HB3 SER A 12 -5.592 6.688 -1.420 1.00 0.29 H new ATOM 0 HG SER A 12 -6.630 6.372 0.630 1.00 0.97 H new ATOM 144 N ASN A 13 -8.342 9.465 -2.794 1.00 0.19 N ATOM 145 CA ASN A 13 -9.594 10.203 -2.916 1.00 0.24 C ATOM 146 C ASN A 13 -10.714 9.291 -3.401 1.00 0.24 C ATOM 147 O ASN A 13 -10.462 8.163 -3.823 1.00 0.19 O ATOM 148 CB ASN A 13 -9.415 11.401 -3.866 1.00 0.32 C ATOM 149 CG ASN A 13 -8.848 11.038 -5.237 1.00 0.34 C ATOM 150 OD1 ASN A 13 -9.115 9.831 -5.723 1.00 0.89 O flip ATOM 151 ND2 ASN A 13 -8.163 11.848 -5.860 1.00 1.14 N flip ATOM 0 H ASN A 13 -8.035 9.008 -3.653 1.00 0.19 H new ATOM 0 HA ASN A 13 -9.871 10.580 -1.932 1.00 0.24 H new ATOM 0 HB2 ASN A 13 -10.380 11.888 -4.003 1.00 0.32 H new ATOM 0 HB3 ASN A 13 -8.755 12.128 -3.394 1.00 0.32 H new ATOM 0 HD21 ASN A 13 -7.974 12.768 -5.463 1.00 1.14 H new ATOM 0 HD22 ASN A 13 -7.784 11.599 -6.774 1.00 1.14 H new ATOM 158 N ASP A 14 -11.946 9.789 -3.366 1.00 0.43 N ATOM 159 CA ASP A 14 -13.112 8.984 -3.735 1.00 0.51 C ATOM 160 C ASP A 14 -13.263 8.851 -5.249 1.00 0.43 C ATOM 161 O ASP A 14 -14.214 8.237 -5.729 1.00 0.48 O ATOM 162 CB ASP A 14 -14.401 9.553 -3.122 1.00 0.81 C ATOM 163 CG ASP A 14 -14.672 11.000 -3.497 1.00 1.53 C ATOM 164 OD1 ASP A 14 -14.910 11.286 -4.685 1.00 1.86 O ATOM 165 OD2 ASP A 14 -14.665 11.860 -2.590 1.00 2.26 O1- ATOM 0 H ASP A 14 -12.166 10.745 -3.087 1.00 0.43 H new ATOM 0 HA ASP A 14 -12.943 7.987 -3.328 1.00 0.51 H new ATOM 0 HB2 ASP A 14 -15.245 8.941 -3.441 1.00 0.81 H new ATOM 0 HB3 ASP A 14 -14.342 9.474 -2.037 1.00 0.81 H new ATOM 170 N ASN A 15 -12.326 9.421 -5.998 1.00 0.45 N ATOM 171 CA ASN A 15 -12.305 9.261 -7.449 1.00 0.48 C ATOM 172 C ASN A 15 -11.450 8.065 -7.847 1.00 0.41 C ATOM 173 O ASN A 15 -11.131 7.878 -9.018 1.00 0.47 O ATOM 174 CB ASN A 15 -11.784 10.521 -8.148 1.00 0.60 C ATOM 175 CG ASN A 15 -12.756 11.684 -8.094 1.00 0.93 C ATOM 176 OD1 ASN A 15 -14.046 11.397 -8.142 1.00 1.59 O flip ATOM 177 ND2 ASN A 15 -12.345 12.841 -8.022 1.00 1.58 N flip ATOM 0 H ASN A 15 -11.571 9.998 -5.626 1.00 0.45 H new ATOM 0 HA ASN A 15 -13.333 9.091 -7.769 1.00 0.48 H new ATOM 0 HB2 ASN A 15 -10.843 10.821 -7.686 1.00 0.60 H new ATOM 0 HB3 ASN A 15 -11.567 10.286 -9.190 1.00 0.60 H new ATOM 0 HD21 ASN A 15 -11.342 13.025 -7.987 1.00 1.58 H new ATOM 0 HD22 ASN A 15 -13.007 13.617 -7.997 1.00 1.58 H new ATOM 184 N MET A 16 -11.068 7.276 -6.838 1.00 0.36 N ATOM 185 CA MET A 16 -10.331 6.029 -7.041 1.00 0.39 C ATOM 186 C MET A 16 -8.960 6.265 -7.673 1.00 0.38 C ATOM 187 O MET A 16 -8.727 5.892 -8.818 1.00 0.54 O ATOM 188 CB MET A 16 -11.151 5.060 -7.902 1.00 0.50 C ATOM 189 CG MET A 16 -12.406 4.547 -7.217 1.00 0.58 C ATOM 190 SD MET A 16 -13.415 3.504 -8.290 1.00 1.03 S ATOM 191 CE MET A 16 -12.242 2.222 -8.724 1.00 1.92 C ATOM 0 H MET A 16 -11.262 7.485 -5.859 1.00 0.36 H new ATOM 0 HA MET A 16 -10.165 5.588 -6.058 1.00 0.39 H new ATOM 0 HB2 MET A 16 -11.432 5.560 -8.829 1.00 0.50 H new ATOM 0 HB3 MET A 16 -10.524 4.211 -8.175 1.00 0.50 H new ATOM 0 HG2 MET A 16 -12.124 3.981 -6.329 1.00 0.58 H new ATOM 0 HG3 MET A 16 -13.001 5.395 -6.878 1.00 0.58 H new ATOM 0 HE1 MET A 16 -12.775 1.367 -9.139 1.00 1.92 H new ATOM 0 HE2 MET A 16 -11.540 2.606 -9.464 1.00 1.92 H new ATOM 0 HE3 MET A 16 -11.696 1.912 -7.833 1.00 1.92 H new ATOM 201 N GLN A 17 -8.048 6.869 -6.919 1.00 0.28 N ATOM 202 CA GLN A 17 -6.686 7.077 -7.403 1.00 0.33 C ATOM 203 C GLN A 17 -5.736 7.322 -6.241 1.00 0.28 C ATOM 204 O GLN A 17 -6.157 7.723 -5.150 1.00 0.40 O ATOM 205 CB GLN A 17 -6.612 8.264 -8.376 1.00 0.44 C ATOM 206 CG GLN A 17 -6.424 9.616 -7.699 1.00 0.77 C ATOM 207 CD GLN A 17 -6.200 10.744 -8.684 1.00 1.21 C ATOM 208 OE1 GLN A 17 -6.641 11.937 -8.325 1.00 1.78 O flip ATOM 209 NE2 GLN A 17 -5.631 10.546 -9.759 1.00 1.86 N flip ATOM 0 H GLN A 17 -8.224 7.221 -5.978 1.00 0.28 H new ATOM 0 HA GLN A 17 -6.389 6.172 -7.932 1.00 0.33 H new ATOM 0 HB2 GLN A 17 -5.787 8.100 -9.070 1.00 0.44 H new ATOM 0 HB3 GLN A 17 -7.526 8.291 -8.969 1.00 0.44 H new ATOM 0 HG2 GLN A 17 -7.303 9.839 -7.094 1.00 0.77 H new ATOM 0 HG3 GLN A 17 -5.574 9.561 -7.019 1.00 0.77 H new ATOM 0 HE21 GLN A 17 -5.305 9.610 -9.999 1.00 1.86 H new ATOM 0 HE22 GLN A 17 -5.486 11.319 -10.409 1.00 1.86 H new ATOM 218 N PHE A 18 -4.461 7.068 -6.485 1.00 0.30 N ATOM 219 CA PHE A 18 -3.407 7.430 -5.552 1.00 0.27 C ATOM 220 C PHE A 18 -2.776 8.741 -5.999 1.00 0.33 C ATOM 221 O PHE A 18 -2.689 9.016 -7.194 1.00 0.44 O ATOM 222 CB PHE A 18 -2.331 6.339 -5.488 1.00 0.29 C ATOM 223 CG PHE A 18 -2.735 5.110 -4.723 1.00 0.25 C ATOM 224 CD1 PHE A 18 -3.162 5.207 -3.410 1.00 0.24 C ATOM 225 CD2 PHE A 18 -2.713 3.862 -5.327 1.00 0.27 C ATOM 226 CE1 PHE A 18 -3.554 4.084 -2.709 1.00 0.25 C ATOM 227 CE2 PHE A 18 -3.105 2.733 -4.632 1.00 0.26 C ATOM 228 CZ PHE A 18 -3.439 2.831 -3.298 1.00 0.28 C ATOM 0 H PHE A 18 -4.128 6.607 -7.332 1.00 0.30 H new ATOM 0 HA PHE A 18 -3.842 7.540 -4.558 1.00 0.27 H new ATOM 0 HB2 PHE A 18 -2.065 6.048 -6.504 1.00 0.29 H new ATOM 0 HB3 PHE A 18 -1.434 6.757 -5.032 1.00 0.29 H new ATOM 0 HD1 PHE A 18 -3.189 6.173 -2.928 1.00 0.24 H new ATOM 0 HD2 PHE A 18 -2.386 3.771 -6.352 1.00 0.27 H new ATOM 0 HE1 PHE A 18 -3.948 4.179 -1.708 1.00 0.25 H new ATOM 0 HE2 PHE A 18 -3.149 1.777 -5.133 1.00 0.26 H new ATOM 0 HZ PHE A 18 -3.610 1.939 -2.714 1.00 0.28 H new ATOM 238 N ASN A 19 -2.355 9.553 -5.034 1.00 0.35 N ATOM 239 CA ASN A 19 -1.719 10.836 -5.331 1.00 0.49 C ATOM 240 C ASN A 19 -0.435 10.632 -6.123 1.00 0.36 C ATOM 241 O ASN A 19 -0.063 11.469 -6.942 1.00 0.45 O ATOM 242 CB ASN A 19 -1.415 11.591 -4.036 1.00 0.71 C ATOM 243 CG ASN A 19 -1.030 13.040 -4.277 1.00 1.33 C ATOM 244 OD1 ASN A 19 0.148 13.369 -4.429 1.00 2.31 O ATOM 245 ND2 ASN A 19 -2.020 13.918 -4.318 1.00 1.42 N ATOM 0 H ASN A 19 -2.442 9.347 -4.039 1.00 0.35 H new ATOM 0 HA ASN A 19 -2.410 11.425 -5.934 1.00 0.49 H new ATOM 0 HB2 ASN A 19 -2.289 11.555 -3.386 1.00 0.71 H new ATOM 0 HB3 ASN A 19 -0.605 11.087 -3.509 1.00 0.71 H new ATOM 0 HD21 ASN A 19 -1.820 14.905 -4.480 1.00 1.42 H new ATOM 0 HD22 ASN A 19 -2.983 13.607 -4.188 1.00 1.42 H new ATOM 252 N THR A 20 0.229 9.512 -5.882 1.00 0.36 N ATOM 253 CA THR A 20 1.442 9.176 -6.601 1.00 0.33 C ATOM 254 C THR A 20 1.304 7.790 -7.225 1.00 0.24 C ATOM 255 O THR A 20 0.574 6.940 -6.714 1.00 0.32 O ATOM 256 CB THR A 20 2.684 9.219 -5.679 1.00 0.53 C ATOM 257 OG1 THR A 20 3.878 8.997 -6.443 1.00 1.12 O ATOM 258 CG2 THR A 20 2.587 8.177 -4.573 1.00 0.44 C ATOM 0 H THR A 20 -0.056 8.819 -5.190 1.00 0.36 H new ATOM 0 HA THR A 20 1.585 9.920 -7.385 1.00 0.33 H new ATOM 0 HB THR A 20 2.723 10.207 -5.221 1.00 0.53 H new ATOM 0 HG1 THR A 20 4.343 8.205 -6.101 1.00 1.12 H new ATOM 0 HG21 THR A 20 3.474 8.232 -3.942 1.00 0.44 H new ATOM 0 HG22 THR A 20 1.700 8.369 -3.969 1.00 0.44 H new ATOM 0 HG23 THR A 20 2.517 7.183 -5.015 1.00 0.44 H new ATOM 266 N LYS A 21 1.989 7.576 -8.336 1.00 0.23 N ATOM 267 CA LYS A 21 1.907 6.313 -9.051 1.00 0.31 C ATOM 268 C LYS A 21 3.147 5.463 -8.784 1.00 0.23 C ATOM 269 O LYS A 21 3.156 4.257 -9.036 1.00 0.28 O ATOM 270 CB LYS A 21 1.754 6.576 -10.551 1.00 0.50 C ATOM 271 CG LYS A 21 1.500 5.325 -11.384 1.00 0.91 C ATOM 272 CD LYS A 21 0.182 4.647 -11.025 1.00 0.85 C ATOM 273 CE LYS A 21 -1.019 5.519 -11.364 1.00 1.30 C ATOM 274 NZ LYS A 21 -1.074 5.859 -12.811 1.00 2.18 N1+ ATOM 0 H LYS A 21 2.610 8.263 -8.764 1.00 0.23 H new ATOM 0 HA LYS A 21 1.035 5.764 -8.696 1.00 0.31 H new ATOM 0 HB2 LYS A 21 0.930 7.273 -10.704 1.00 0.50 H new ATOM 0 HB3 LYS A 21 2.657 7.065 -10.916 1.00 0.50 H new ATOM 0 HG2 LYS A 21 1.493 5.591 -12.441 1.00 0.91 H new ATOM 0 HG3 LYS A 21 2.319 4.621 -11.238 1.00 0.91 H new ATOM 0 HD2 LYS A 21 0.104 3.700 -11.559 1.00 0.85 H new ATOM 0 HD3 LYS A 21 0.172 4.415 -9.960 1.00 0.85 H new ATOM 0 HE2 LYS A 21 -1.935 5.001 -11.079 1.00 1.30 H new ATOM 0 HE3 LYS A 21 -0.977 6.437 -10.778 1.00 1.30 H new ATOM 0 HZ1 LYS A 21 -2.018 6.228 -13.045 1.00 2.18 H new ATOM 0 HZ2 LYS A 21 -0.357 6.581 -13.025 1.00 2.18 H new ATOM 0 HZ3 LYS A 21 -0.886 5.006 -13.375 1.00 2.18 H new ATOM 288 N ASP A 22 4.187 6.099 -8.265 1.00 0.20 N ATOM 289 CA ASP A 22 5.442 5.412 -7.976 1.00 0.22 C ATOM 290 C ASP A 22 5.966 5.833 -6.612 1.00 0.20 C ATOM 291 O ASP A 22 5.845 6.997 -6.227 1.00 0.24 O ATOM 292 CB ASP A 22 6.502 5.720 -9.041 1.00 0.34 C ATOM 293 CG ASP A 22 6.138 5.206 -10.420 1.00 1.26 C ATOM 294 OD1 ASP A 22 6.261 3.984 -10.657 1.00 1.86 O1- ATOM 295 OD2 ASP A 22 5.705 6.012 -11.270 1.00 2.06 O ATOM 0 H ASP A 22 4.189 7.093 -8.034 1.00 0.20 H new ATOM 0 HA ASP A 22 5.243 4.340 -7.981 1.00 0.22 H new ATOM 0 HB2 ASP A 22 6.653 6.798 -9.092 1.00 0.34 H new ATOM 0 HB3 ASP A 22 7.451 5.279 -8.736 1.00 0.34 H new ATOM 300 N ILE A 23 6.541 4.889 -5.882 1.00 0.19 N ATOM 301 CA ILE A 23 7.142 5.180 -4.588 1.00 0.21 C ATOM 302 C ILE A 23 8.567 4.650 -4.545 1.00 0.27 C ATOM 303 O ILE A 23 8.822 3.496 -4.882 1.00 0.32 O ATOM 304 CB ILE A 23 6.324 4.572 -3.423 1.00 0.21 C ATOM 305 CG1 ILE A 23 4.982 5.300 -3.284 1.00 0.22 C ATOM 306 CG2 ILE A 23 7.107 4.636 -2.112 1.00 0.26 C ATOM 307 CD1 ILE A 23 4.052 4.672 -2.267 1.00 0.23 C ATOM 0 H ILE A 23 6.604 3.911 -6.165 1.00 0.19 H new ATOM 0 HA ILE A 23 7.147 6.263 -4.464 1.00 0.21 H new ATOM 0 HB ILE A 23 6.133 3.523 -3.649 1.00 0.21 H new ATOM 0 HG12 ILE A 23 5.168 6.336 -3.002 1.00 0.22 H new ATOM 0 HG13 ILE A 23 4.486 5.318 -4.254 1.00 0.22 H new ATOM 0 HG21 ILE A 23 6.510 4.202 -1.310 1.00 0.26 H new ATOM 0 HG22 ILE A 23 8.036 4.076 -2.216 1.00 0.26 H new ATOM 0 HG23 ILE A 23 7.334 5.675 -1.874 1.00 0.26 H new ATOM 0 HD11 ILE A 23 3.123 5.241 -2.223 1.00 0.23 H new ATOM 0 HD12 ILE A 23 3.835 3.644 -2.558 1.00 0.23 H new ATOM 0 HD13 ILE A 23 4.528 4.678 -1.286 1.00 0.23 H new ATOM 319 N GLN A 24 9.491 5.504 -4.155 1.00 0.34 N ATOM 320 CA GLN A 24 10.890 5.130 -4.057 1.00 0.41 C ATOM 321 C GLN A 24 11.303 5.031 -2.597 1.00 0.35 C ATOM 322 O GLN A 24 11.124 5.974 -1.826 1.00 0.39 O ATOM 323 CB GLN A 24 11.764 6.142 -4.795 1.00 0.57 C ATOM 324 CG GLN A 24 11.490 6.196 -6.292 1.00 0.67 C ATOM 325 CD GLN A 24 12.214 7.334 -6.987 1.00 0.86 C ATOM 326 OE1 GLN A 24 12.409 8.438 -6.283 1.00 1.32 O flip ATOM 327 NE2 GLN A 24 12.587 7.225 -8.155 1.00 1.46 N flip ATOM 0 H GLN A 24 9.297 6.472 -3.898 1.00 0.34 H new ATOM 0 HA GLN A 24 11.027 4.155 -4.524 1.00 0.41 H new ATOM 0 HB2 GLN A 24 11.602 7.131 -4.367 1.00 0.57 H new ATOM 0 HB3 GLN A 24 12.813 5.892 -4.633 1.00 0.57 H new ATOM 0 HG2 GLN A 24 11.790 5.251 -6.745 1.00 0.67 H new ATOM 0 HG3 GLN A 24 10.418 6.301 -6.456 1.00 0.67 H new ATOM 0 HE21 GLN A 24 12.419 6.358 -8.665 1.00 1.46 H new ATOM 0 HE22 GLN A 24 13.064 8.002 -8.612 1.00 1.46 H new ATOM 336 N VAL A 25 11.840 3.883 -2.227 1.00 0.31 N ATOM 337 CA VAL A 25 12.254 3.632 -0.856 1.00 0.25 C ATOM 338 C VAL A 25 13.771 3.577 -0.761 1.00 0.26 C ATOM 339 O VAL A 25 14.410 2.754 -1.415 1.00 0.30 O ATOM 340 CB VAL A 25 11.658 2.310 -0.325 1.00 0.23 C ATOM 341 CG1 VAL A 25 12.161 2.015 1.078 1.00 0.22 C ATOM 342 CG2 VAL A 25 10.139 2.359 -0.351 1.00 0.23 C ATOM 0 H VAL A 25 12.001 3.102 -2.863 1.00 0.31 H new ATOM 0 HA VAL A 25 11.881 4.453 -0.244 1.00 0.25 H new ATOM 0 HB VAL A 25 11.986 1.502 -0.979 1.00 0.23 H new ATOM 0 HG11 VAL A 25 11.728 1.079 1.431 1.00 0.22 H new ATOM 0 HG12 VAL A 25 13.248 1.929 1.064 1.00 0.22 H new ATOM 0 HG13 VAL A 25 11.869 2.825 1.747 1.00 0.22 H new ATOM 0 HG21 VAL A 25 9.738 1.418 0.027 1.00 0.23 H new ATOM 0 HG22 VAL A 25 9.791 3.180 0.276 1.00 0.23 H new ATOM 0 HG23 VAL A 25 9.797 2.514 -1.374 1.00 0.23 H new ATOM 352 N SER A 26 14.338 4.461 0.041 1.00 0.27 N ATOM 353 CA SER A 26 15.780 4.523 0.211 1.00 0.29 C ATOM 354 C SER A 26 16.263 3.470 1.206 1.00 0.26 C ATOM 355 O SER A 26 15.858 3.462 2.371 1.00 0.25 O ATOM 356 CB SER A 26 16.185 5.924 0.673 1.00 0.36 C ATOM 357 OG SER A 26 15.802 6.900 -0.281 1.00 1.16 O ATOM 0 H SER A 26 13.820 5.149 0.587 1.00 0.27 H new ATOM 0 HA SER A 26 16.252 4.312 -0.749 1.00 0.29 H new ATOM 0 HB2 SER A 26 15.718 6.144 1.633 1.00 0.36 H new ATOM 0 HB3 SER A 26 17.263 5.963 0.827 1.00 0.36 H new ATOM 0 HG SER A 26 14.825 6.915 -0.360 1.00 1.16 H new ATOM 363 N LYS A 27 17.139 2.582 0.735 1.00 0.32 N ATOM 364 CA LYS A 27 17.677 1.502 1.560 1.00 0.36 C ATOM 365 C LYS A 27 18.579 2.047 2.660 1.00 0.42 C ATOM 366 O LYS A 27 18.863 1.362 3.645 1.00 0.54 O ATOM 367 CB LYS A 27 18.460 0.511 0.701 1.00 0.45 C ATOM 368 CG LYS A 27 19.745 1.083 0.118 1.00 0.82 C ATOM 369 CD LYS A 27 20.515 0.044 -0.681 1.00 0.86 C ATOM 370 CE LYS A 27 20.940 -1.126 0.191 1.00 0.98 C ATOM 371 NZ LYS A 27 21.729 -2.132 -0.566 1.00 0.97 N1+ ATOM 0 H LYS A 27 17.493 2.591 -0.222 1.00 0.32 H new ATOM 0 HA LYS A 27 16.834 0.989 2.023 1.00 0.36 H new ATOM 0 HB2 LYS A 27 18.704 -0.364 1.303 1.00 0.45 H new ATOM 0 HB3 LYS A 27 17.823 0.169 -0.115 1.00 0.45 H new ATOM 0 HG2 LYS A 27 19.507 1.931 -0.524 1.00 0.82 H new ATOM 0 HG3 LYS A 27 20.374 1.460 0.925 1.00 0.82 H new ATOM 0 HD2 LYS A 27 19.895 -0.318 -1.501 1.00 0.86 H new ATOM 0 HD3 LYS A 27 21.396 0.506 -1.127 1.00 0.86 H new ATOM 0 HE2 LYS A 27 21.533 -0.757 1.028 1.00 0.98 H new ATOM 0 HE3 LYS A 27 20.055 -1.603 0.613 1.00 0.98 H new ATOM 0 HZ1 LYS A 27 21.997 -2.911 0.068 1.00 0.97 H new ATOM 0 HZ2 LYS A 27 21.156 -2.505 -1.350 1.00 0.97 H new ATOM 0 HZ3 LYS A 27 22.587 -1.685 -0.947 1.00 0.97 H new ATOM 385 N ALA A 28 19.030 3.282 2.481 1.00 0.44 N ATOM 386 CA ALA A 28 19.880 3.944 3.461 1.00 0.53 C ATOM 387 C ALA A 28 19.111 4.251 4.740 1.00 0.49 C ATOM 388 O ALA A 28 19.689 4.676 5.743 1.00 0.63 O ATOM 389 CB ALA A 28 20.453 5.220 2.876 1.00 0.65 C ATOM 0 H ALA A 28 18.819 3.849 1.660 1.00 0.44 H new ATOM 0 HA ALA A 28 20.697 3.267 3.713 1.00 0.53 H new ATOM 0 HB1 ALA A 28 21.087 5.707 3.617 1.00 0.65 H new ATOM 0 HB2 ALA A 28 21.045 4.981 1.992 1.00 0.65 H new ATOM 0 HB3 ALA A 28 19.640 5.890 2.598 1.00 0.65 H new ATOM 395 N CYS A 29 17.809 4.036 4.695 1.00 0.37 N ATOM 396 CA CYS A 29 16.953 4.263 5.842 1.00 0.40 C ATOM 397 C CYS A 29 16.706 2.950 6.575 1.00 0.40 C ATOM 398 O CYS A 29 16.551 1.895 5.954 1.00 0.40 O ATOM 399 CB CYS A 29 15.632 4.879 5.383 1.00 0.41 C ATOM 400 SG CYS A 29 15.832 6.469 4.518 1.00 0.49 S ATOM 0 H CYS A 29 17.318 3.701 3.866 1.00 0.37 H new ATOM 0 HA CYS A 29 17.443 4.954 6.528 1.00 0.40 H new ATOM 0 HB2 CYS A 29 15.123 4.177 4.723 1.00 0.41 H new ATOM 0 HB3 CYS A 29 14.988 5.025 6.250 1.00 0.41 H new ATOM 0 HG CYS A 29 15.413 7.434 5.282 1.00 0.49 H new ATOM 405 N LYS A 30 16.695 3.021 7.899 1.00 0.49 N ATOM 406 CA LYS A 30 16.475 1.848 8.732 1.00 0.59 C ATOM 407 C LYS A 30 15.023 1.401 8.637 1.00 0.51 C ATOM 408 O LYS A 30 14.713 0.213 8.742 1.00 0.52 O ATOM 409 CB LYS A 30 16.838 2.162 10.184 1.00 0.81 C ATOM 410 CG LYS A 30 16.671 0.984 11.127 1.00 1.42 C ATOM 411 CD LYS A 30 17.020 1.363 12.554 1.00 2.13 C ATOM 412 CE LYS A 30 16.890 0.174 13.493 1.00 2.73 C ATOM 413 NZ LYS A 30 17.758 -0.960 13.084 1.00 3.49 N1+ ATOM 0 H LYS A 30 16.837 3.885 8.422 1.00 0.49 H new ATOM 0 HA LYS A 30 17.113 1.038 8.377 1.00 0.59 H new ATOM 0 HB2 LYS A 30 17.872 2.504 10.224 1.00 0.81 H new ATOM 0 HB3 LYS A 30 16.216 2.986 10.534 1.00 0.81 H new ATOM 0 HG2 LYS A 30 15.642 0.626 11.085 1.00 1.42 H new ATOM 0 HG3 LYS A 30 17.308 0.162 10.801 1.00 1.42 H new ATOM 0 HD2 LYS A 30 18.039 1.747 12.591 1.00 2.13 H new ATOM 0 HD3 LYS A 30 16.364 2.166 12.889 1.00 2.13 H new ATOM 0 HE2 LYS A 30 17.151 0.482 14.505 1.00 2.73 H new ATOM 0 HE3 LYS A 30 15.851 -0.156 13.518 1.00 2.73 H new ATOM 0 HZ1 LYS A 30 17.850 -1.629 13.875 1.00 3.49 H new ATOM 0 HZ2 LYS A 30 17.334 -1.445 12.267 1.00 3.49 H new ATOM 0 HZ3 LYS A 30 18.699 -0.601 12.823 1.00 3.49 H new ATOM 427 N GLU A 31 14.137 2.365 8.446 1.00 0.51 N ATOM 428 CA GLU A 31 12.726 2.083 8.279 1.00 0.52 C ATOM 429 C GLU A 31 12.085 3.143 7.391 1.00 0.42 C ATOM 430 O GLU A 31 12.470 4.313 7.425 1.00 0.44 O ATOM 431 CB GLU A 31 12.011 2.011 9.640 1.00 0.69 C ATOM 432 CG GLU A 31 11.883 3.342 10.373 1.00 1.15 C ATOM 433 CD GLU A 31 13.214 3.913 10.821 1.00 1.39 C ATOM 434 OE1 GLU A 31 13.837 3.336 11.740 1.00 1.71 O ATOM 435 OE2 GLU A 31 13.646 4.941 10.256 1.00 2.00 O1- ATOM 0 H GLU A 31 14.376 3.356 8.403 1.00 0.51 H new ATOM 0 HA GLU A 31 12.623 1.110 7.798 1.00 0.52 H new ATOM 0 HB2 GLU A 31 11.013 1.600 9.488 1.00 0.69 H new ATOM 0 HB3 GLU A 31 12.549 1.312 10.280 1.00 0.69 H new ATOM 0 HG2 GLU A 31 11.389 4.062 9.720 1.00 1.15 H new ATOM 0 HG3 GLU A 31 11.242 3.208 11.244 1.00 1.15 H new ATOM 442 N PHE A 32 11.133 2.723 6.579 1.00 0.36 N ATOM 443 CA PHE A 32 10.423 3.640 5.707 1.00 0.30 C ATOM 444 C PHE A 32 8.952 3.654 6.088 1.00 0.25 C ATOM 445 O PHE A 32 8.325 2.598 6.207 1.00 0.29 O ATOM 446 CB PHE A 32 10.598 3.227 4.243 1.00 0.32 C ATOM 447 CG PHE A 32 10.186 4.282 3.254 1.00 0.30 C ATOM 448 CD1 PHE A 32 11.080 5.267 2.872 1.00 0.30 C ATOM 449 CD2 PHE A 32 8.915 4.289 2.699 1.00 0.32 C ATOM 450 CE1 PHE A 32 10.718 6.240 1.963 1.00 0.32 C ATOM 451 CE2 PHE A 32 8.550 5.262 1.788 1.00 0.34 C ATOM 452 CZ PHE A 32 9.452 6.237 1.419 1.00 0.34 C ATOM 0 H PHE A 32 10.833 1.751 6.505 1.00 0.36 H new ATOM 0 HA PHE A 32 10.833 4.643 5.824 1.00 0.30 H new ATOM 0 HB2 PHE A 32 11.644 2.972 4.071 1.00 0.32 H new ATOM 0 HB3 PHE A 32 10.015 2.324 4.059 1.00 0.32 H new ATOM 0 HD1 PHE A 32 12.075 5.274 3.291 1.00 0.30 H new ATOM 0 HD2 PHE A 32 8.204 3.527 2.981 1.00 0.32 H new ATOM 0 HE1 PHE A 32 11.427 7.004 1.678 1.00 0.32 H new ATOM 0 HE2 PHE A 32 7.557 5.259 1.364 1.00 0.34 H new ATOM 0 HZ PHE A 32 9.167 6.996 0.706 1.00 0.34 H new ATOM 462 N THR A 33 8.410 4.841 6.291 1.00 0.21 N ATOM 463 CA THR A 33 7.038 4.980 6.739 1.00 0.19 C ATOM 464 C THR A 33 6.195 5.701 5.694 1.00 0.17 C ATOM 465 O THR A 33 6.617 6.704 5.120 1.00 0.26 O ATOM 466 CB THR A 33 6.979 5.737 8.082 1.00 0.24 C ATOM 467 OG1 THR A 33 7.762 5.040 9.065 1.00 0.32 O ATOM 468 CG2 THR A 33 5.548 5.876 8.584 1.00 0.26 C ATOM 0 H THR A 33 8.901 5.724 6.152 1.00 0.21 H new ATOM 0 HA THR A 33 6.629 3.980 6.882 1.00 0.19 H new ATOM 0 HB THR A 33 7.382 6.737 7.920 1.00 0.24 H new ATOM 0 HG1 THR A 33 7.253 4.275 9.407 1.00 0.32 H new ATOM 0 HG21 THR A 33 5.546 6.414 9.532 1.00 0.26 H new ATOM 0 HG22 THR A 33 4.958 6.427 7.852 1.00 0.26 H new ATOM 0 HG23 THR A 33 5.115 4.886 8.728 1.00 0.26 H new ATOM 476 N ILE A 34 5.015 5.164 5.437 1.00 0.16 N ATOM 477 CA ILE A 34 4.094 5.758 4.484 1.00 0.17 C ATOM 478 C ILE A 34 2.769 6.054 5.164 1.00 0.17 C ATOM 479 O ILE A 34 2.164 5.165 5.764 1.00 0.21 O ATOM 480 CB ILE A 34 3.837 4.826 3.282 1.00 0.18 C ATOM 481 CG1 ILE A 34 5.154 4.488 2.580 1.00 0.19 C ATOM 482 CG2 ILE A 34 2.858 5.474 2.308 1.00 0.23 C ATOM 483 CD1 ILE A 34 5.005 3.494 1.448 1.00 0.22 C ATOM 0 H ILE A 34 4.670 4.312 5.879 1.00 0.16 H new ATOM 0 HA ILE A 34 4.550 6.678 4.119 1.00 0.17 H new ATOM 0 HB ILE A 34 3.395 3.899 3.647 1.00 0.18 H new ATOM 0 HG12 ILE A 34 5.593 5.406 2.190 1.00 0.19 H new ATOM 0 HG13 ILE A 34 5.854 4.087 3.314 1.00 0.19 H new ATOM 0 HG21 ILE A 34 2.687 4.805 1.465 1.00 0.23 H new ATOM 0 HG22 ILE A 34 1.913 5.667 2.816 1.00 0.23 H new ATOM 0 HG23 ILE A 34 3.274 6.414 1.946 1.00 0.23 H new ATOM 0 HD11 ILE A 34 5.980 3.304 0.999 1.00 0.22 H new ATOM 0 HD12 ILE A 34 4.596 2.561 1.835 1.00 0.22 H new ATOM 0 HD13 ILE A 34 4.331 3.900 0.693 1.00 0.22 H new ATOM 495 N THR A 35 2.327 7.295 5.082 1.00 0.18 N ATOM 496 CA THR A 35 1.057 7.682 5.666 1.00 0.19 C ATOM 497 C THR A 35 0.013 7.913 4.583 1.00 0.17 C ATOM 498 O THR A 35 0.206 8.730 3.681 1.00 0.20 O ATOM 499 CB THR A 35 1.196 8.946 6.533 1.00 0.23 C ATOM 500 OG1 THR A 35 2.190 8.726 7.541 1.00 0.23 O ATOM 501 CG2 THR A 35 -0.130 9.307 7.193 1.00 0.28 C ATOM 0 H THR A 35 2.828 8.052 4.617 1.00 0.18 H new ATOM 0 HA THR A 35 0.732 6.862 6.306 1.00 0.19 H new ATOM 0 HB THR A 35 1.495 9.774 5.890 1.00 0.23 H new ATOM 0 HG1 THR A 35 2.280 9.531 8.092 1.00 0.23 H new ATOM 0 HG21 THR A 35 -0.002 10.204 7.799 1.00 0.28 H new ATOM 0 HG22 THR A 35 -0.880 9.492 6.424 1.00 0.28 H new ATOM 0 HG23 THR A 35 -0.457 8.483 7.828 1.00 0.28 H new ATOM 509 N LEU A 36 -1.082 7.179 4.672 1.00 0.16 N ATOM 510 CA LEU A 36 -2.157 7.287 3.707 1.00 0.14 C ATOM 511 C LEU A 36 -3.247 8.204 4.242 1.00 0.17 C ATOM 512 O LEU A 36 -3.772 7.983 5.335 1.00 0.20 O ATOM 513 CB LEU A 36 -2.737 5.902 3.415 1.00 0.16 C ATOM 514 CG LEU A 36 -3.730 5.833 2.250 1.00 0.14 C ATOM 515 CD1 LEU A 36 -3.023 6.074 0.927 1.00 0.17 C ATOM 516 CD2 LEU A 36 -4.448 4.492 2.236 1.00 0.18 C ATOM 0 H LEU A 36 -1.249 6.496 5.411 1.00 0.16 H new ATOM 0 HA LEU A 36 -1.762 7.709 2.783 1.00 0.14 H new ATOM 0 HB2 LEU A 36 -1.913 5.219 3.208 1.00 0.16 H new ATOM 0 HB3 LEU A 36 -3.234 5.539 4.315 1.00 0.16 H new ATOM 0 HG LEU A 36 -4.473 6.618 2.389 1.00 0.14 H new ATOM 0 HD11 LEU A 36 -3.746 6.021 0.113 1.00 0.17 H new ATOM 0 HD12 LEU A 36 -2.559 7.060 0.937 1.00 0.17 H new ATOM 0 HD13 LEU A 36 -2.256 5.314 0.781 1.00 0.17 H new ATOM 0 HD21 LEU A 36 -5.149 4.463 1.401 1.00 0.18 H new ATOM 0 HD22 LEU A 36 -3.718 3.690 2.125 1.00 0.18 H new ATOM 0 HD23 LEU A 36 -4.992 4.361 3.171 1.00 0.18 H new ATOM 528 N LYS A 37 -3.572 9.234 3.482 1.00 0.21 N ATOM 529 CA LYS A 37 -4.612 10.172 3.870 1.00 0.27 C ATOM 530 C LYS A 37 -5.759 10.107 2.870 1.00 0.20 C ATOM 531 O LYS A 37 -5.619 10.517 1.718 1.00 0.22 O ATOM 532 CB LYS A 37 -4.049 11.599 3.955 1.00 0.42 C ATOM 533 CG LYS A 37 -5.034 12.623 4.505 1.00 1.22 C ATOM 534 CD LYS A 37 -5.470 12.280 5.922 1.00 1.21 C ATOM 535 CE LYS A 37 -6.369 13.356 6.510 1.00 2.09 C ATOM 536 NZ LYS A 37 -6.820 13.017 7.886 1.00 2.62 N1+ ATOM 0 H LYS A 37 -3.129 9.444 2.588 1.00 0.21 H new ATOM 0 HA LYS A 37 -4.986 9.898 4.857 1.00 0.27 H new ATOM 0 HB2 LYS A 37 -3.160 11.591 4.585 1.00 0.42 H new ATOM 0 HB3 LYS A 37 -3.732 11.913 2.961 1.00 0.42 H new ATOM 0 HG2 LYS A 37 -4.575 13.612 4.495 1.00 1.22 H new ATOM 0 HG3 LYS A 37 -5.909 12.671 3.857 1.00 1.22 H new ATOM 0 HD2 LYS A 37 -5.998 11.326 5.920 1.00 1.21 H new ATOM 0 HD3 LYS A 37 -4.590 12.156 6.553 1.00 1.21 H new ATOM 0 HE2 LYS A 37 -5.834 14.305 6.528 1.00 2.09 H new ATOM 0 HE3 LYS A 37 -7.239 13.493 5.867 1.00 2.09 H new ATOM 0 HZ1 LYS A 37 -6.986 13.892 8.422 1.00 2.62 H new ATOM 0 HZ2 LYS A 37 -7.702 12.469 7.837 1.00 2.62 H new ATOM 0 HZ3 LYS A 37 -6.088 12.453 8.362 1.00 2.62 H new ATOM 550 N HIS A 38 -6.887 9.573 3.309 1.00 0.18 N ATOM 551 CA HIS A 38 -8.038 9.416 2.434 1.00 0.16 C ATOM 552 C HIS A 38 -8.957 10.620 2.550 1.00 0.23 C ATOM 553 O HIS A 38 -9.743 10.728 3.487 1.00 0.29 O ATOM 554 CB HIS A 38 -8.804 8.129 2.767 1.00 0.21 C ATOM 555 CG HIS A 38 -9.999 7.861 1.890 1.00 0.20 C ATOM 556 ND1 HIS A 38 -10.320 8.610 0.774 1.00 0.18 N ATOM 557 CD2 HIS A 38 -10.968 6.922 1.992 1.00 0.29 C ATOM 558 CE1 HIS A 38 -11.435 8.146 0.240 1.00 0.19 C ATOM 559 NE2 HIS A 38 -11.847 7.119 0.957 1.00 0.24 N ATOM 0 H HIS A 38 -7.031 9.242 4.263 1.00 0.18 H new ATOM 0 HA HIS A 38 -7.679 9.345 1.407 1.00 0.16 H new ATOM 0 HB2 HIS A 38 -8.119 7.285 2.691 1.00 0.21 H new ATOM 0 HB3 HIS A 38 -9.136 8.178 3.804 1.00 0.21 H new ATOM 0 HD1 HIS A 38 -9.780 9.399 0.418 1.00 0.18 H new ATOM 0 HD2 HIS A 38 -11.037 6.156 2.751 1.00 0.29 H new ATOM 0 HE1 HIS A 38 -11.927 8.541 -0.637 1.00 0.19 H new ATOM 0 HE2 HIS A 38 -12.682 6.563 0.773 1.00 0.24 H new ATOM 568 N THR A 39 -8.847 11.520 1.593 1.00 0.30 N ATOM 569 CA THR A 39 -9.736 12.661 1.515 1.00 0.44 C ATOM 570 C THR A 39 -11.072 12.226 0.911 1.00 0.55 C ATOM 571 O THR A 39 -11.119 11.303 0.091 1.00 1.42 O ATOM 572 CB THR A 39 -9.108 13.805 0.680 1.00 0.52 C ATOM 573 OG1 THR A 39 -9.966 14.953 0.676 1.00 1.60 O ATOM 574 CG2 THR A 39 -8.841 13.365 -0.754 1.00 1.46 C ATOM 0 H THR A 39 -8.145 11.482 0.854 1.00 0.30 H new ATOM 0 HA THR A 39 -9.903 13.043 2.522 1.00 0.44 H new ATOM 0 HB THR A 39 -8.157 14.065 1.145 1.00 0.52 H new ATOM 0 HG1 THR A 39 -9.554 15.667 0.146 1.00 1.60 H new ATOM 0 HG21 THR A 39 -8.401 14.191 -1.312 1.00 1.46 H new ATOM 0 HG22 THR A 39 -8.153 12.520 -0.753 1.00 1.46 H new ATOM 0 HG23 THR A 39 -9.779 13.069 -1.224 1.00 1.46 H new ATOM 582 N GLY A 40 -12.151 12.855 1.344 1.00 0.61 N ATOM 583 CA GLY A 40 -13.463 12.505 0.844 1.00 0.56 C ATOM 584 C GLY A 40 -14.474 12.360 1.963 1.00 0.66 C ATOM 585 O GLY A 40 -14.201 12.735 3.107 1.00 1.16 O ATOM 0 H GLY A 40 -12.142 13.605 2.036 1.00 0.61 H new ATOM 0 HA2 GLY A 40 -13.802 13.271 0.146 1.00 0.56 H new ATOM 0 HA3 GLY A 40 -13.402 11.570 0.287 1.00 0.56 H new ATOM 589 N THR A 41 -15.637 11.816 1.640 1.00 0.46 N ATOM 590 CA THR A 41 -16.704 11.642 2.618 1.00 0.53 C ATOM 591 C THR A 41 -17.204 10.191 2.663 1.00 0.46 C ATOM 592 O THR A 41 -17.727 9.739 3.683 1.00 0.75 O ATOM 593 CB THR A 41 -17.881 12.591 2.302 1.00 0.71 C ATOM 594 OG1 THR A 41 -17.400 13.940 2.206 1.00 1.41 O ATOM 595 CG2 THR A 41 -18.957 12.518 3.375 1.00 1.53 C ATOM 0 H THR A 41 -15.868 11.485 0.703 1.00 0.46 H new ATOM 0 HA THR A 41 -16.292 11.887 3.597 1.00 0.53 H new ATOM 0 HB THR A 41 -18.319 12.279 1.354 1.00 0.71 H new ATOM 0 HG1 THR A 41 -18.148 14.540 2.004 1.00 1.41 H new ATOM 0 HG21 THR A 41 -19.770 13.198 3.122 1.00 1.53 H new ATOM 0 HG22 THR A 41 -19.341 11.500 3.436 1.00 1.53 H new ATOM 0 HG23 THR A 41 -18.532 12.804 4.337 1.00 1.53 H new ATOM 603 N GLN A 42 -17.020 9.462 1.566 1.00 0.41 N ATOM 604 CA GLN A 42 -17.515 8.090 1.462 1.00 0.35 C ATOM 605 C GLN A 42 -16.900 7.178 2.523 1.00 0.29 C ATOM 606 O GLN A 42 -15.699 7.242 2.799 1.00 0.31 O ATOM 607 CB GLN A 42 -17.249 7.518 0.066 1.00 0.39 C ATOM 608 CG GLN A 42 -18.257 7.976 -0.982 1.00 0.59 C ATOM 609 CD GLN A 42 -19.680 7.613 -0.609 1.00 1.37 C ATOM 610 OE1 GLN A 42 -20.368 8.374 0.070 1.00 1.89 O ATOM 611 NE2 GLN A 42 -20.136 6.453 -1.053 1.00 2.08 N ATOM 0 H GLN A 42 -16.532 9.797 0.736 1.00 0.41 H new ATOM 0 HA GLN A 42 -18.591 8.127 1.634 1.00 0.35 H new ATOM 0 HB2 GLN A 42 -16.248 7.809 -0.253 1.00 0.39 H new ATOM 0 HB3 GLN A 42 -17.262 6.429 0.120 1.00 0.39 H new ATOM 0 HG2 GLN A 42 -18.181 9.056 -1.108 1.00 0.59 H new ATOM 0 HG3 GLN A 42 -18.009 7.525 -1.943 1.00 0.59 H new ATOM 0 HE21 GLN A 42 -19.534 5.849 -1.614 1.00 2.08 H new ATOM 0 HE22 GLN A 42 -21.089 6.162 -0.835 1.00 2.08 H new ATOM 620 N PRO A 43 -17.739 6.323 3.133 1.00 0.32 N ATOM 621 CA PRO A 43 -17.310 5.377 4.169 1.00 0.35 C ATOM 622 C PRO A 43 -16.502 4.213 3.592 1.00 0.31 C ATOM 623 O PRO A 43 -16.584 3.907 2.397 1.00 0.29 O ATOM 624 CB PRO A 43 -18.635 4.885 4.757 1.00 0.47 C ATOM 625 CG PRO A 43 -19.609 5.008 3.639 1.00 0.49 C ATOM 626 CD PRO A 43 -19.186 6.221 2.859 1.00 0.40 C ATOM 0 HA PRO A 43 -16.648 5.836 4.903 1.00 0.35 H new ATOM 0 HB2 PRO A 43 -18.557 3.854 5.103 1.00 0.47 H new ATOM 0 HB3 PRO A 43 -18.937 5.487 5.614 1.00 0.47 H new ATOM 0 HG2 PRO A 43 -19.599 4.117 3.012 1.00 0.49 H new ATOM 0 HG3 PRO A 43 -20.625 5.121 4.016 1.00 0.49 H new ATOM 0 HD2 PRO A 43 -19.385 6.102 1.794 1.00 0.40 H new ATOM 0 HD3 PRO A 43 -19.720 7.114 3.185 1.00 0.40 H new ATOM 634 N LYS A 44 -15.735 3.564 4.468 1.00 0.33 N ATOM 635 CA LYS A 44 -14.721 2.584 4.070 1.00 0.34 C ATOM 636 C LYS A 44 -15.311 1.354 3.383 1.00 0.36 C ATOM 637 O LYS A 44 -14.627 0.699 2.601 1.00 0.44 O ATOM 638 CB LYS A 44 -13.891 2.148 5.288 1.00 0.43 C ATOM 639 CG LYS A 44 -14.698 1.461 6.381 1.00 0.49 C ATOM 640 CD LYS A 44 -13.803 0.946 7.495 1.00 0.66 C ATOM 641 CE LYS A 44 -14.613 0.307 8.615 1.00 1.06 C ATOM 642 NZ LYS A 44 -15.438 1.303 9.350 1.00 1.82 N1+ ATOM 0 H LYS A 44 -15.799 3.703 5.477 1.00 0.33 H new ATOM 0 HA LYS A 44 -14.082 3.083 3.341 1.00 0.34 H new ATOM 0 HB2 LYS A 44 -13.104 1.472 4.954 1.00 0.43 H new ATOM 0 HB3 LYS A 44 -13.400 3.024 5.711 1.00 0.43 H new ATOM 0 HG2 LYS A 44 -15.425 2.161 6.792 1.00 0.49 H new ATOM 0 HG3 LYS A 44 -15.261 0.632 5.952 1.00 0.49 H new ATOM 0 HD2 LYS A 44 -13.101 0.216 7.091 1.00 0.66 H new ATOM 0 HD3 LYS A 44 -13.211 1.769 7.897 1.00 0.66 H new ATOM 0 HE2 LYS A 44 -15.262 -0.463 8.198 1.00 1.06 H new ATOM 0 HE3 LYS A 44 -13.938 -0.189 9.312 1.00 1.06 H new ATOM 0 HZ1 LYS A 44 -15.838 0.861 10.202 1.00 1.82 H new ATOM 0 HZ2 LYS A 44 -14.844 2.111 9.625 1.00 1.82 H new ATOM 0 HZ3 LYS A 44 -16.210 1.634 8.737 1.00 1.82 H new ATOM 656 N ALA A 45 -16.562 1.039 3.678 1.00 0.40 N ATOM 657 CA ALA A 45 -17.213 -0.124 3.083 1.00 0.46 C ATOM 658 C ALA A 45 -17.682 0.169 1.661 1.00 0.48 C ATOM 659 O ALA A 45 -17.936 -0.750 0.878 1.00 0.58 O ATOM 660 CB ALA A 45 -18.384 -0.575 3.939 1.00 0.59 C ATOM 0 H ALA A 45 -17.148 1.569 4.323 1.00 0.40 H new ATOM 0 HA ALA A 45 -16.478 -0.928 3.037 1.00 0.46 H new ATOM 0 HB1 ALA A 45 -18.857 -1.443 3.480 1.00 0.59 H new ATOM 0 HB2 ALA A 45 -18.026 -0.840 4.934 1.00 0.59 H new ATOM 0 HB3 ALA A 45 -19.110 0.234 4.018 1.00 0.59 H new ATOM 666 N SER A 46 -17.790 1.449 1.332 1.00 0.49 N ATOM 667 CA SER A 46 -18.255 1.863 0.017 1.00 0.63 C ATOM 668 C SER A 46 -17.075 2.280 -0.853 1.00 0.47 C ATOM 669 O SER A 46 -16.905 1.783 -1.968 1.00 0.61 O ATOM 670 CB SER A 46 -19.256 3.017 0.146 1.00 0.83 C ATOM 671 OG SER A 46 -19.715 3.448 -1.124 1.00 1.51 O ATOM 0 H SER A 46 -17.561 2.220 1.960 1.00 0.49 H new ATOM 0 HA SER A 46 -18.756 1.019 -0.457 1.00 0.63 H new ATOM 0 HB2 SER A 46 -20.104 2.699 0.752 1.00 0.83 H new ATOM 0 HB3 SER A 46 -18.787 3.851 0.667 1.00 0.83 H new ATOM 0 HG SER A 46 -20.558 3.937 -1.019 1.00 1.51 H new ATOM 677 N MET A 47 -16.256 3.180 -0.327 1.00 0.27 N ATOM 678 CA MET A 47 -15.090 3.675 -1.045 1.00 0.21 C ATOM 679 C MET A 47 -13.904 3.739 -0.092 1.00 0.17 C ATOM 680 O MET A 47 -13.414 4.822 0.262 1.00 0.19 O ATOM 681 CB MET A 47 -15.376 5.057 -1.645 1.00 0.29 C ATOM 682 CG MET A 47 -14.251 5.602 -2.520 1.00 0.42 C ATOM 683 SD MET A 47 -14.048 4.689 -4.061 1.00 1.13 S ATOM 684 CE MET A 47 -15.562 5.113 -4.917 1.00 0.81 C ATOM 0 H MET A 47 -16.379 3.585 0.601 1.00 0.27 H new ATOM 0 HA MET A 47 -14.855 2.996 -1.864 1.00 0.21 H new ATOM 0 HB2 MET A 47 -16.289 5.002 -2.238 1.00 0.29 H new ATOM 0 HB3 MET A 47 -15.565 5.761 -0.835 1.00 0.29 H new ATOM 0 HG2 MET A 47 -14.451 6.649 -2.749 1.00 0.42 H new ATOM 0 HG3 MET A 47 -13.316 5.571 -1.960 1.00 0.42 H new ATOM 0 HE1 MET A 47 -15.444 4.917 -5.983 1.00 0.81 H new ATOM 0 HE2 MET A 47 -16.382 4.511 -4.526 1.00 0.81 H new ATOM 0 HE3 MET A 47 -15.783 6.169 -4.764 1.00 0.81 H new ATOM 694 N GLY A 48 -13.479 2.570 0.354 1.00 0.14 N ATOM 695 CA GLY A 48 -12.358 2.482 1.254 1.00 0.12 C ATOM 696 C GLY A 48 -11.064 2.270 0.512 1.00 0.11 C ATOM 697 O GLY A 48 -11.059 1.779 -0.620 1.00 0.13 O ATOM 0 H GLY A 48 -13.897 1.674 0.104 1.00 0.14 H new ATOM 0 HA2 GLY A 48 -12.293 3.395 1.845 1.00 0.12 H new ATOM 0 HA3 GLY A 48 -12.516 1.661 1.953 1.00 0.12 H new ATOM 701 N HIS A 49 -9.961 2.653 1.135 1.00 0.11 N ATOM 702 CA HIS A 49 -8.656 2.509 0.506 1.00 0.11 C ATOM 703 C HIS A 49 -7.639 1.975 1.497 1.00 0.12 C ATOM 704 O HIS A 49 -7.725 2.243 2.700 1.00 0.15 O ATOM 705 CB HIS A 49 -8.136 3.848 -0.045 1.00 0.12 C ATOM 706 CG HIS A 49 -8.978 4.470 -1.117 1.00 0.12 C ATOM 707 ND1 HIS A 49 -9.258 3.818 -2.292 1.00 0.13 N ATOM 708 CD2 HIS A 49 -9.549 5.695 -1.145 1.00 0.13 C ATOM 709 CE1 HIS A 49 -9.988 4.658 -3.002 1.00 0.14 C ATOM 710 NE2 HIS A 49 -10.192 5.811 -2.350 1.00 0.14 N ATOM 0 H HIS A 49 -9.941 3.063 2.069 1.00 0.11 H new ATOM 0 HA HIS A 49 -8.783 1.808 -0.319 1.00 0.11 H new ATOM 0 HB2 HIS A 49 -8.050 4.553 0.782 1.00 0.12 H new ATOM 0 HB3 HIS A 49 -7.131 3.694 -0.439 1.00 0.12 H new ATOM 0 HD2 HIS A 49 -9.507 6.441 -0.365 1.00 0.13 H new ATOM 0 HE1 HIS A 49 -10.374 4.442 -3.988 1.00 0.14 H new ATOM 0 HE2 HIS A 49 -10.721 6.616 -2.685 1.00 0.14 H new ATOM 718 N ASN A 50 -6.690 1.214 0.985 1.00 0.12 N ATOM 719 CA ASN A 50 -5.518 0.827 1.746 1.00 0.19 C ATOM 720 C ASN A 50 -4.302 0.874 0.835 1.00 0.24 C ATOM 721 O ASN A 50 -4.435 1.012 -0.380 1.00 0.43 O ATOM 722 CB ASN A 50 -5.672 -0.569 2.391 1.00 0.29 C ATOM 723 CG ASN A 50 -5.857 -1.713 1.399 1.00 0.67 C ATOM 724 OD1 ASN A 50 -5.416 -1.657 0.255 1.00 1.48 O ATOM 725 ND2 ASN A 50 -6.494 -2.779 1.847 1.00 0.69 N ATOM 0 H ASN A 50 -6.710 0.848 0.033 1.00 0.12 H new ATOM 0 HA ASN A 50 -5.392 1.531 2.568 1.00 0.19 H new ATOM 0 HB2 ASN A 50 -4.791 -0.772 2.999 1.00 0.29 H new ATOM 0 HB3 ASN A 50 -6.527 -0.550 3.066 1.00 0.29 H new ATOM 0 HD21 ASN A 50 -6.631 -3.585 1.237 1.00 0.69 H new ATOM 0 HD22 ASN A 50 -6.849 -2.796 2.803 1.00 0.69 H new ATOM 732 N LEU A 51 -3.128 0.802 1.416 1.00 0.17 N ATOM 733 CA LEU A 51 -1.910 0.759 0.636 1.00 0.17 C ATOM 734 C LEU A 51 -1.055 -0.392 1.127 1.00 0.17 C ATOM 735 O LEU A 51 -0.554 -0.377 2.253 1.00 0.20 O ATOM 736 CB LEU A 51 -1.163 2.099 0.728 1.00 0.18 C ATOM 737 CG LEU A 51 -0.005 2.286 -0.263 1.00 0.20 C ATOM 738 CD1 LEU A 51 0.208 3.762 -0.555 1.00 0.20 C ATOM 739 CD2 LEU A 51 1.281 1.678 0.281 1.00 0.22 C ATOM 0 H LEU A 51 -2.988 0.772 2.426 1.00 0.17 H new ATOM 0 HA LEU A 51 -2.147 0.597 -0.415 1.00 0.17 H new ATOM 0 HB2 LEU A 51 -1.881 2.905 0.576 1.00 0.18 H new ATOM 0 HB3 LEU A 51 -0.772 2.207 1.740 1.00 0.18 H new ATOM 0 HG LEU A 51 -0.268 1.772 -1.188 1.00 0.20 H new ATOM 0 HD11 LEU A 51 1.032 3.878 -1.259 1.00 0.20 H new ATOM 0 HD12 LEU A 51 -0.700 4.182 -0.987 1.00 0.20 H new ATOM 0 HD13 LEU A 51 0.445 4.286 0.371 1.00 0.20 H new ATOM 0 HD21 LEU A 51 2.086 1.824 -0.440 1.00 0.22 H new ATOM 0 HD22 LEU A 51 1.544 2.163 1.221 1.00 0.22 H new ATOM 0 HD23 LEU A 51 1.135 0.611 0.451 1.00 0.22 H new ATOM 751 N VAL A 52 -0.936 -1.414 0.300 1.00 0.17 N ATOM 752 CA VAL A 52 -0.139 -2.576 0.640 1.00 0.20 C ATOM 753 C VAL A 52 1.118 -2.621 -0.215 1.00 0.22 C ATOM 754 O VAL A 52 1.091 -2.250 -1.387 1.00 0.30 O ATOM 755 CB VAL A 52 -0.935 -3.891 0.456 1.00 0.25 C ATOM 756 CG1 VAL A 52 -2.235 -3.843 1.242 1.00 1.25 C ATOM 757 CG2 VAL A 52 -1.211 -4.165 -1.015 1.00 1.46 C ATOM 0 H VAL A 52 -1.383 -1.462 -0.615 1.00 0.17 H new ATOM 0 HA VAL A 52 0.134 -2.487 1.692 1.00 0.20 H new ATOM 0 HB VAL A 52 -0.326 -4.708 0.842 1.00 0.25 H new ATOM 0 HG11 VAL A 52 -2.781 -4.776 1.100 1.00 1.25 H new ATOM 0 HG12 VAL A 52 -2.015 -3.709 2.301 1.00 1.25 H new ATOM 0 HG13 VAL A 52 -2.843 -3.010 0.889 1.00 1.25 H new ATOM 0 HG21 VAL A 52 -1.771 -5.095 -1.113 1.00 1.46 H new ATOM 0 HG22 VAL A 52 -1.793 -3.345 -1.435 1.00 1.46 H new ATOM 0 HG23 VAL A 52 -0.267 -4.252 -1.552 1.00 1.46 H new ATOM 767 N ILE A 53 2.216 -3.053 0.378 1.00 0.21 N ATOM 768 CA ILE A 53 3.459 -3.216 -0.355 1.00 0.23 C ATOM 769 C ILE A 53 3.910 -4.663 -0.295 1.00 0.19 C ATOM 770 O ILE A 53 4.087 -5.229 0.789 1.00 0.20 O ATOM 771 CB ILE A 53 4.572 -2.285 0.174 1.00 0.31 C ATOM 772 CG1 ILE A 53 4.208 -0.824 -0.114 1.00 0.45 C ATOM 773 CG2 ILE A 53 5.918 -2.640 -0.453 1.00 0.30 C ATOM 774 CD1 ILE A 53 5.275 0.172 0.284 1.00 0.51 C ATOM 0 H ILE A 53 2.273 -3.298 1.367 1.00 0.21 H new ATOM 0 HA ILE A 53 3.270 -2.937 -1.391 1.00 0.23 H new ATOM 0 HB ILE A 53 4.660 -2.420 1.252 1.00 0.31 H new ATOM 0 HG12 ILE A 53 4.005 -0.715 -1.179 1.00 0.45 H new ATOM 0 HG13 ILE A 53 3.285 -0.581 0.413 1.00 0.45 H new ATOM 0 HG21 ILE A 53 6.687 -1.972 -0.066 1.00 0.30 H new ATOM 0 HG22 ILE A 53 6.174 -3.670 -0.205 1.00 0.30 H new ATOM 0 HG23 ILE A 53 5.855 -2.532 -1.536 1.00 0.30 H new ATOM 0 HD11 ILE A 53 4.938 1.181 0.046 1.00 0.51 H new ATOM 0 HD12 ILE A 53 5.463 0.095 1.355 1.00 0.51 H new ATOM 0 HD13 ILE A 53 6.194 -0.041 -0.262 1.00 0.51 H new ATOM 786 N ALA A 54 4.073 -5.260 -1.463 1.00 0.22 N ATOM 787 CA ALA A 54 4.435 -6.661 -1.562 1.00 0.27 C ATOM 788 C ALA A 54 5.299 -6.906 -2.789 1.00 0.31 C ATOM 789 O ALA A 54 5.337 -6.090 -3.711 1.00 0.30 O ATOM 790 CB ALA A 54 3.181 -7.519 -1.620 1.00 0.32 C ATOM 0 H ALA A 54 3.959 -4.791 -2.362 1.00 0.22 H new ATOM 0 HA ALA A 54 5.011 -6.935 -0.678 1.00 0.27 H new ATOM 0 HB1 ALA A 54 3.462 -8.570 -1.694 1.00 0.32 H new ATOM 0 HB2 ALA A 54 2.592 -7.364 -0.716 1.00 0.32 H new ATOM 0 HB3 ALA A 54 2.589 -7.239 -2.491 1.00 0.32 H new ATOM 796 N LYS A 55 5.999 -8.030 -2.778 1.00 0.43 N ATOM 797 CA LYS A 55 6.850 -8.431 -3.886 1.00 0.52 C ATOM 798 C LYS A 55 5.985 -8.788 -5.092 1.00 0.53 C ATOM 799 O LYS A 55 5.125 -9.653 -4.989 1.00 0.64 O ATOM 800 CB LYS A 55 7.702 -9.624 -3.441 1.00 0.69 C ATOM 801 CG LYS A 55 8.682 -10.133 -4.480 1.00 1.04 C ATOM 802 CD LYS A 55 9.569 -11.219 -3.889 1.00 1.03 C ATOM 803 CE LYS A 55 10.323 -11.978 -4.966 1.00 1.01 C ATOM 804 NZ LYS A 55 9.396 -12.602 -5.945 1.00 1.46 N1+ ATOM 0 H LYS A 55 5.993 -8.690 -2.000 1.00 0.43 H new ATOM 0 HA LYS A 55 7.511 -7.614 -4.177 1.00 0.52 H new ATOM 0 HB2 LYS A 55 8.258 -9.341 -2.547 1.00 0.69 H new ATOM 0 HB3 LYS A 55 7.038 -10.441 -3.159 1.00 0.69 H new ATOM 0 HG2 LYS A 55 8.139 -10.527 -5.339 1.00 1.04 H new ATOM 0 HG3 LYS A 55 9.298 -9.310 -4.842 1.00 1.04 H new ATOM 0 HD2 LYS A 55 10.280 -10.770 -3.195 1.00 1.03 H new ATOM 0 HD3 LYS A 55 8.958 -11.915 -3.314 1.00 1.03 H new ATOM 0 HE2 LYS A 55 10.999 -11.299 -5.486 1.00 1.01 H new ATOM 0 HE3 LYS A 55 10.939 -12.750 -4.505 1.00 1.01 H new ATOM 0 HZ1 LYS A 55 9.716 -13.568 -6.160 1.00 1.46 H new ATOM 0 HZ2 LYS A 55 8.438 -12.637 -5.542 1.00 1.46 H new ATOM 0 HZ3 LYS A 55 9.384 -12.039 -6.819 1.00 1.46 H new ATOM 818 N ALA A 56 6.228 -8.120 -6.222 1.00 0.49 N ATOM 819 CA ALA A 56 5.344 -8.179 -7.396 1.00 0.52 C ATOM 820 C ALA A 56 4.930 -9.601 -7.767 1.00 0.61 C ATOM 821 O ALA A 56 3.738 -9.893 -7.909 1.00 0.77 O ATOM 822 CB ALA A 56 6.022 -7.519 -8.584 1.00 0.53 C ATOM 0 H ALA A 56 7.043 -7.521 -6.352 1.00 0.49 H new ATOM 0 HA ALA A 56 4.433 -7.643 -7.130 1.00 0.52 H new ATOM 0 HB1 ALA A 56 5.363 -7.565 -9.451 1.00 0.53 H new ATOM 0 HB2 ALA A 56 6.237 -6.477 -8.347 1.00 0.53 H new ATOM 0 HB3 ALA A 56 6.953 -8.040 -8.807 1.00 0.53 H new ATOM 828 N GLU A 57 5.918 -10.471 -7.913 1.00 0.65 N ATOM 829 CA GLU A 57 5.700 -11.859 -8.313 1.00 0.79 C ATOM 830 C GLU A 57 4.766 -12.592 -7.349 1.00 0.71 C ATOM 831 O GLU A 57 4.004 -13.475 -7.748 1.00 0.77 O ATOM 832 CB GLU A 57 7.050 -12.572 -8.373 1.00 1.01 C ATOM 833 CG GLU A 57 6.957 -14.064 -8.629 1.00 1.69 C ATOM 834 CD GLU A 57 8.295 -14.750 -8.474 1.00 2.26 C ATOM 835 OE1 GLU A 57 8.671 -15.067 -7.326 1.00 2.89 O ATOM 836 OE2 GLU A 57 8.978 -14.970 -9.494 1.00 2.58 O1- ATOM 0 H GLU A 57 6.898 -10.236 -7.758 1.00 0.65 H new ATOM 0 HA GLU A 57 5.222 -11.864 -9.293 1.00 0.79 H new ATOM 0 HB2 GLU A 57 7.653 -12.117 -9.159 1.00 1.01 H new ATOM 0 HB3 GLU A 57 7.576 -12.409 -7.432 1.00 1.01 H new ATOM 0 HG2 GLU A 57 6.240 -14.507 -7.937 1.00 1.69 H new ATOM 0 HG3 GLU A 57 6.576 -14.236 -9.636 1.00 1.69 H new ATOM 843 N ASP A 58 4.823 -12.219 -6.083 1.00 0.66 N ATOM 844 CA ASP A 58 4.061 -12.906 -5.051 1.00 0.71 C ATOM 845 C ASP A 58 2.836 -12.090 -4.660 1.00 0.65 C ATOM 846 O ASP A 58 1.987 -12.546 -3.892 1.00 0.65 O ATOM 847 CB ASP A 58 4.946 -13.155 -3.825 1.00 0.88 C ATOM 848 CG ASP A 58 6.156 -14.014 -4.147 1.00 1.36 C ATOM 849 OD1 ASP A 58 7.163 -13.470 -4.648 1.00 2.15 O1- ATOM 850 OD2 ASP A 58 6.110 -15.240 -3.898 1.00 1.46 O ATOM 0 H ASP A 58 5.390 -11.442 -5.742 1.00 0.66 H new ATOM 0 HA ASP A 58 3.724 -13.865 -5.445 1.00 0.71 H new ATOM 0 HB2 ASP A 58 5.280 -12.199 -3.422 1.00 0.88 H new ATOM 0 HB3 ASP A 58 4.356 -13.640 -3.048 1.00 0.88 H new ATOM 855 N MET A 59 2.742 -10.889 -5.217 1.00 0.64 N ATOM 856 CA MET A 59 1.685 -9.951 -4.865 1.00 0.64 C ATOM 857 C MET A 59 0.357 -10.362 -5.484 1.00 0.60 C ATOM 858 O MET A 59 -0.708 -10.010 -4.979 1.00 0.57 O ATOM 859 CB MET A 59 2.056 -8.537 -5.313 1.00 0.78 C ATOM 860 CG MET A 59 1.126 -7.467 -4.771 1.00 0.58 C ATOM 861 SD MET A 59 1.664 -5.809 -5.212 1.00 0.65 S ATOM 862 CE MET A 59 0.592 -4.822 -4.178 1.00 0.35 C ATOM 0 H MET A 59 3.392 -10.540 -5.921 1.00 0.64 H new ATOM 0 HA MET A 59 1.575 -9.963 -3.781 1.00 0.64 H new ATOM 0 HB2 MET A 59 3.075 -8.318 -4.992 1.00 0.78 H new ATOM 0 HB3 MET A 59 2.049 -8.496 -6.402 1.00 0.78 H new ATOM 0 HG2 MET A 59 0.120 -7.634 -5.155 1.00 0.58 H new ATOM 0 HG3 MET A 59 1.071 -7.552 -3.686 1.00 0.58 H new ATOM 0 HE1 MET A 59 0.383 -3.873 -4.672 1.00 0.35 H new ATOM 0 HE2 MET A 59 -0.343 -5.357 -4.008 1.00 0.35 H new ATOM 0 HE3 MET A 59 1.081 -4.633 -3.222 1.00 0.35 H new ATOM 872 N ASP A 60 0.427 -11.116 -6.572 1.00 0.65 N ATOM 873 CA ASP A 60 -0.770 -11.620 -7.231 1.00 0.72 C ATOM 874 C ASP A 60 -1.578 -12.468 -6.257 1.00 0.67 C ATOM 875 O ASP A 60 -2.803 -12.349 -6.166 1.00 0.70 O ATOM 876 CB ASP A 60 -0.388 -12.447 -8.456 1.00 0.87 C ATOM 877 CG ASP A 60 -1.593 -12.912 -9.240 1.00 1.41 C ATOM 878 OD1 ASP A 60 -2.057 -12.164 -10.127 1.00 1.42 O1- ATOM 879 OD2 ASP A 60 -2.094 -14.021 -8.954 1.00 2.27 O ATOM 0 H ASP A 60 1.302 -11.393 -7.018 1.00 0.65 H new ATOM 0 HA ASP A 60 -1.378 -10.776 -7.556 1.00 0.72 H new ATOM 0 HB2 ASP A 60 0.256 -11.853 -9.105 1.00 0.87 H new ATOM 0 HB3 ASP A 60 0.191 -13.314 -8.139 1.00 0.87 H new ATOM 884 N GLY A 61 -0.868 -13.298 -5.503 1.00 0.65 N ATOM 885 CA GLY A 61 -1.497 -14.116 -4.489 1.00 0.66 C ATOM 886 C GLY A 61 -2.024 -13.291 -3.333 1.00 0.59 C ATOM 887 O GLY A 61 -2.890 -13.741 -2.588 1.00 0.63 O ATOM 0 H GLY A 61 0.142 -13.418 -5.579 1.00 0.65 H new ATOM 0 HA2 GLY A 61 -2.317 -14.678 -4.935 1.00 0.66 H new ATOM 0 HA3 GLY A 61 -0.778 -14.845 -4.115 1.00 0.66 H new ATOM 891 N VAL A 62 -1.503 -12.078 -3.187 1.00 0.52 N ATOM 892 CA VAL A 62 -1.916 -11.187 -2.109 1.00 0.48 C ATOM 893 C VAL A 62 -3.314 -10.640 -2.373 1.00 0.45 C ATOM 894 O VAL A 62 -4.155 -10.613 -1.477 1.00 0.46 O ATOM 895 CB VAL A 62 -0.926 -10.014 -1.924 1.00 0.48 C ATOM 896 CG1 VAL A 62 -1.466 -8.992 -0.930 1.00 0.46 C ATOM 897 CG2 VAL A 62 0.428 -10.529 -1.459 1.00 0.55 C ATOM 0 H VAL A 62 -0.791 -11.688 -3.804 1.00 0.52 H new ATOM 0 HA VAL A 62 -1.923 -11.774 -1.191 1.00 0.48 H new ATOM 0 HB VAL A 62 -0.805 -9.522 -2.889 1.00 0.48 H new ATOM 0 HG11 VAL A 62 -0.749 -8.178 -0.819 1.00 0.46 H new ATOM 0 HG12 VAL A 62 -2.413 -8.594 -1.295 1.00 0.46 H new ATOM 0 HG13 VAL A 62 -1.622 -9.472 0.036 1.00 0.46 H new ATOM 0 HG21 VAL A 62 1.113 -9.690 -1.334 1.00 0.55 H new ATOM 0 HG22 VAL A 62 0.313 -11.048 -0.508 1.00 0.55 H new ATOM 0 HG23 VAL A 62 0.830 -11.218 -2.202 1.00 0.55 H new ATOM 907 N PHE A 63 -3.560 -10.212 -3.607 1.00 0.45 N ATOM 908 CA PHE A 63 -4.873 -9.699 -3.988 1.00 0.45 C ATOM 909 C PHE A 63 -5.931 -10.785 -3.846 1.00 0.49 C ATOM 910 O PHE A 63 -6.965 -10.582 -3.213 1.00 0.53 O ATOM 911 CB PHE A 63 -4.865 -9.174 -5.429 1.00 0.47 C ATOM 912 CG PHE A 63 -4.001 -7.962 -5.632 1.00 0.39 C ATOM 913 CD1 PHE A 63 -4.393 -6.724 -5.149 1.00 0.31 C ATOM 914 CD2 PHE A 63 -2.794 -8.065 -6.302 1.00 0.48 C ATOM 915 CE1 PHE A 63 -3.596 -5.612 -5.330 1.00 0.30 C ATOM 916 CE2 PHE A 63 -1.994 -6.957 -6.487 1.00 0.46 C ATOM 917 CZ PHE A 63 -2.414 -5.716 -6.011 1.00 0.35 C ATOM 0 H PHE A 63 -2.871 -10.210 -4.359 1.00 0.45 H new ATOM 0 HA PHE A 63 -5.113 -8.873 -3.318 1.00 0.45 H new ATOM 0 HB2 PHE A 63 -4.522 -9.968 -6.092 1.00 0.47 H new ATOM 0 HB3 PHE A 63 -5.887 -8.933 -5.723 1.00 0.47 H new ATOM 0 HD1 PHE A 63 -5.333 -6.628 -4.625 1.00 0.31 H new ATOM 0 HD2 PHE A 63 -2.475 -9.024 -6.684 1.00 0.48 H new ATOM 0 HE1 PHE A 63 -3.906 -4.657 -4.933 1.00 0.30 H new ATOM 0 HE2 PHE A 63 -1.047 -7.050 -6.998 1.00 0.46 H new ATOM 0 HZ PHE A 63 -1.808 -4.838 -6.179 1.00 0.35 H new ATOM 927 N LYS A 64 -5.639 -11.949 -4.413 1.00 0.51 N ATOM 928 CA LYS A 64 -6.574 -13.069 -4.413 1.00 0.57 C ATOM 929 C LYS A 64 -6.862 -13.549 -2.994 1.00 0.57 C ATOM 930 O LYS A 64 -7.996 -13.896 -2.666 1.00 0.61 O ATOM 931 CB LYS A 64 -6.009 -14.212 -5.263 1.00 0.67 C ATOM 932 CG LYS A 64 -5.953 -13.891 -6.753 1.00 1.35 C ATOM 933 CD LYS A 64 -4.939 -14.757 -7.488 1.00 1.76 C ATOM 934 CE LYS A 64 -5.218 -16.240 -7.315 1.00 2.16 C ATOM 935 NZ LYS A 64 -4.223 -17.075 -8.040 1.00 3.03 N1+ ATOM 0 H LYS A 64 -4.755 -12.143 -4.883 1.00 0.51 H new ATOM 0 HA LYS A 64 -7.517 -12.733 -4.844 1.00 0.57 H new ATOM 0 HB2 LYS A 64 -5.005 -14.453 -4.913 1.00 0.67 H new ATOM 0 HB3 LYS A 64 -6.620 -15.102 -5.114 1.00 0.67 H new ATOM 0 HG2 LYS A 64 -6.940 -14.037 -7.192 1.00 1.35 H new ATOM 0 HG3 LYS A 64 -5.697 -12.840 -6.888 1.00 1.35 H new ATOM 0 HD2 LYS A 64 -4.953 -14.508 -8.549 1.00 1.76 H new ATOM 0 HD3 LYS A 64 -3.938 -14.532 -7.121 1.00 1.76 H new ATOM 0 HE2 LYS A 64 -5.201 -16.492 -6.255 1.00 2.16 H new ATOM 0 HE3 LYS A 64 -6.219 -16.467 -7.681 1.00 2.16 H new ATOM 0 HZ1 LYS A 64 -4.445 -18.081 -7.899 1.00 3.03 H new ATOM 0 HZ2 LYS A 64 -4.257 -16.852 -9.055 1.00 3.03 H new ATOM 0 HZ3 LYS A 64 -3.270 -16.876 -7.673 1.00 3.03 H new ATOM 949 N ASP A 65 -5.836 -13.553 -2.156 1.00 0.58 N ATOM 950 CA ASP A 65 -5.985 -13.959 -0.764 1.00 0.62 C ATOM 951 C ASP A 65 -6.713 -12.881 0.035 1.00 0.54 C ATOM 952 O ASP A 65 -7.571 -13.180 0.868 1.00 0.59 O ATOM 953 CB ASP A 65 -4.610 -14.232 -0.145 1.00 0.74 C ATOM 954 CG ASP A 65 -4.681 -14.672 1.302 1.00 1.35 C ATOM 955 OD1 ASP A 65 -4.740 -13.800 2.188 1.00 2.28 O1- ATOM 956 OD2 ASP A 65 -4.650 -15.896 1.561 1.00 1.26 O ATOM 0 H ASP A 65 -4.888 -13.279 -2.415 1.00 0.58 H new ATOM 0 HA ASP A 65 -6.577 -14.873 -0.733 1.00 0.62 H new ATOM 0 HB2 ASP A 65 -4.104 -15.002 -0.727 1.00 0.74 H new ATOM 0 HB3 ASP A 65 -4.003 -13.329 -0.214 1.00 0.74 H new ATOM 961 N GLY A 66 -6.381 -11.627 -0.253 1.00 0.50 N ATOM 962 CA GLY A 66 -6.913 -10.507 0.501 1.00 0.47 C ATOM 963 C GLY A 66 -8.406 -10.320 0.325 1.00 0.43 C ATOM 964 O GLY A 66 -9.089 -9.861 1.241 1.00 0.40 O ATOM 0 H GLY A 66 -5.744 -11.365 -1.005 1.00 0.50 H new ATOM 0 HA2 GLY A 66 -6.695 -10.654 1.559 1.00 0.47 H new ATOM 0 HA3 GLY A 66 -6.401 -9.595 0.193 1.00 0.47 H new ATOM 968 N VAL A 67 -8.920 -10.678 -0.847 1.00 0.49 N ATOM 969 CA VAL A 67 -10.350 -10.561 -1.125 1.00 0.52 C ATOM 970 C VAL A 67 -11.162 -11.408 -0.145 1.00 0.52 C ATOM 971 O VAL A 67 -12.264 -11.033 0.255 1.00 0.59 O ATOM 972 CB VAL A 67 -10.679 -10.971 -2.581 1.00 0.66 C ATOM 973 CG1 VAL A 67 -12.181 -10.975 -2.827 1.00 1.04 C ATOM 974 CG2 VAL A 67 -9.995 -10.035 -3.564 1.00 0.92 C ATOM 0 H VAL A 67 -8.369 -11.052 -1.620 1.00 0.49 H new ATOM 0 HA VAL A 67 -10.624 -9.514 -0.998 1.00 0.52 H new ATOM 0 HB VAL A 67 -10.305 -11.983 -2.733 1.00 0.66 H new ATOM 0 HG11 VAL A 67 -12.380 -11.267 -3.858 1.00 1.04 H new ATOM 0 HG12 VAL A 67 -12.659 -11.684 -2.151 1.00 1.04 H new ATOM 0 HG13 VAL A 67 -12.582 -9.977 -2.649 1.00 1.04 H new ATOM 0 HG21 VAL A 67 -10.237 -10.337 -4.583 1.00 0.92 H new ATOM 0 HG22 VAL A 67 -10.341 -9.015 -3.396 1.00 0.92 H new ATOM 0 HG23 VAL A 67 -8.916 -10.080 -3.419 1.00 0.92 H new ATOM 984 N GLY A 68 -10.592 -12.534 0.267 1.00 0.50 N ATOM 985 CA GLY A 68 -11.261 -13.401 1.219 1.00 0.53 C ATOM 986 C GLY A 68 -11.195 -12.864 2.637 1.00 0.43 C ATOM 987 O GLY A 68 -11.851 -13.385 3.536 1.00 0.51 O ATOM 0 H GLY A 68 -9.677 -12.863 -0.042 1.00 0.50 H new ATOM 0 HA2 GLY A 68 -12.304 -13.520 0.927 1.00 0.53 H new ATOM 0 HA3 GLY A 68 -10.806 -14.391 1.187 1.00 0.53 H new ATOM 991 N ALA A 69 -10.416 -11.809 2.834 1.00 0.38 N ATOM 992 CA ALA A 69 -10.227 -11.226 4.155 1.00 0.32 C ATOM 993 C ALA A 69 -10.972 -9.900 4.274 1.00 0.29 C ATOM 994 O ALA A 69 -10.412 -8.896 4.716 1.00 0.31 O ATOM 995 CB ALA A 69 -8.745 -11.035 4.434 1.00 0.35 C ATOM 0 H ALA A 69 -9.902 -11.337 2.090 1.00 0.38 H new ATOM 0 HA ALA A 69 -10.638 -11.910 4.898 1.00 0.32 H new ATOM 0 HB1 ALA A 69 -8.614 -10.598 5.424 1.00 0.35 H new ATOM 0 HB2 ALA A 69 -8.240 -12.000 4.393 1.00 0.35 H new ATOM 0 HB3 ALA A 69 -8.317 -10.369 3.685 1.00 0.35 H new ATOM 1001 N ALA A 70 -12.244 -9.913 3.895 1.00 0.33 N ATOM 1002 CA ALA A 70 -13.065 -8.706 3.874 1.00 0.41 C ATOM 1003 C ALA A 70 -13.188 -8.080 5.259 1.00 0.50 C ATOM 1004 O ALA A 70 -13.287 -6.860 5.392 1.00 0.62 O ATOM 1005 CB ALA A 70 -14.446 -9.025 3.319 1.00 0.52 C ATOM 0 H ALA A 70 -12.735 -10.755 3.595 1.00 0.33 H new ATOM 0 HA ALA A 70 -12.572 -7.981 3.227 1.00 0.41 H new ATOM 0 HB1 ALA A 70 -15.052 -8.119 3.307 1.00 0.52 H new ATOM 0 HB2 ALA A 70 -14.350 -9.411 2.304 1.00 0.52 H new ATOM 0 HB3 ALA A 70 -14.927 -9.774 3.948 1.00 0.52 H new ATOM 1011 N ASP A 71 -13.170 -8.918 6.282 1.00 0.53 N ATOM 1012 CA ASP A 71 -13.349 -8.454 7.653 1.00 0.70 C ATOM 1013 C ASP A 71 -12.063 -7.872 8.225 1.00 0.64 C ATOM 1014 O ASP A 71 -12.093 -7.157 9.224 1.00 0.84 O ATOM 1015 CB ASP A 71 -13.843 -9.591 8.551 1.00 0.91 C ATOM 1016 CG ASP A 71 -15.250 -10.032 8.210 1.00 1.72 C ATOM 1017 OD1 ASP A 71 -16.211 -9.387 8.680 1.00 2.44 O ATOM 1018 OD2 ASP A 71 -15.403 -11.027 7.469 1.00 2.17 O1- ATOM 0 H ASP A 71 -13.033 -9.925 6.192 1.00 0.53 H new ATOM 0 HA ASP A 71 -14.099 -7.664 7.627 1.00 0.70 H new ATOM 0 HB2 ASP A 71 -13.167 -10.441 8.459 1.00 0.91 H new ATOM 0 HB3 ASP A 71 -13.809 -9.268 9.592 1.00 0.91 H new ATOM 1023 N THR A 72 -10.936 -8.169 7.597 1.00 0.48 N ATOM 1024 CA THR A 72 -9.655 -7.699 8.096 1.00 0.53 C ATOM 1025 C THR A 72 -8.974 -6.772 7.096 1.00 0.65 C ATOM 1026 O THR A 72 -7.829 -6.992 6.711 1.00 1.42 O ATOM 1027 CB THR A 72 -8.719 -8.872 8.448 1.00 0.64 C ATOM 1028 OG1 THR A 72 -8.671 -9.809 7.363 1.00 1.26 O ATOM 1029 CG2 THR A 72 -9.186 -9.576 9.714 1.00 1.46 C ATOM 0 H THR A 72 -10.883 -8.730 6.747 1.00 0.48 H new ATOM 0 HA THR A 72 -9.859 -7.136 9.007 1.00 0.53 H new ATOM 0 HB THR A 72 -7.721 -8.470 8.621 1.00 0.64 H new ATOM 0 HG1 THR A 72 -7.797 -9.755 6.923 1.00 1.26 H new ATOM 0 HG21 THR A 72 -8.510 -10.400 9.942 1.00 1.46 H new ATOM 0 HG22 THR A 72 -9.189 -8.869 10.543 1.00 1.46 H new ATOM 0 HG23 THR A 72 -10.193 -9.964 9.564 1.00 1.46 H new ATOM 1037 N ASP A 73 -9.709 -5.749 6.661 1.00 0.59 N ATOM 1038 CA ASP A 73 -9.169 -4.689 5.800 1.00 0.55 C ATOM 1039 C ASP A 73 -8.683 -5.232 4.457 1.00 0.43 C ATOM 1040 O ASP A 73 -7.853 -4.607 3.794 1.00 0.47 O ATOM 1041 CB ASP A 73 -8.020 -3.952 6.504 1.00 0.69 C ATOM 1042 CG ASP A 73 -8.446 -3.313 7.812 1.00 1.25 C ATOM 1043 OD1 ASP A 73 -9.162 -2.291 7.779 1.00 1.66 O ATOM 1044 OD2 ASP A 73 -8.060 -3.822 8.883 1.00 1.50 O1- ATOM 0 H ASP A 73 -10.695 -5.629 6.893 1.00 0.59 H new ATOM 0 HA ASP A 73 -9.984 -3.992 5.607 1.00 0.55 H new ATOM 0 HB2 ASP A 73 -7.208 -4.653 6.695 1.00 0.69 H new ATOM 0 HB3 ASP A 73 -7.627 -3.182 5.840 1.00 0.69 H new ATOM 1049 N TYR A 74 -9.209 -6.392 4.069 1.00 0.33 N ATOM 1050 CA TYR A 74 -8.824 -7.063 2.826 1.00 0.28 C ATOM 1051 C TYR A 74 -7.336 -7.397 2.809 1.00 0.35 C ATOM 1052 O TYR A 74 -6.690 -7.394 1.757 1.00 0.37 O ATOM 1053 CB TYR A 74 -9.215 -6.235 1.598 1.00 0.32 C ATOM 1054 CG TYR A 74 -10.706 -6.193 1.361 1.00 0.36 C ATOM 1055 CD1 TYR A 74 -11.400 -7.323 0.950 1.00 0.41 C ATOM 1056 CD2 TYR A 74 -11.417 -5.015 1.538 1.00 0.44 C ATOM 1057 CE1 TYR A 74 -12.764 -7.281 0.725 1.00 0.50 C ATOM 1058 CE2 TYR A 74 -12.779 -4.963 1.317 1.00 0.54 C ATOM 1059 CZ TYR A 74 -13.453 -6.134 0.939 1.00 0.57 C ATOM 1060 OH TYR A 74 -14.806 -6.048 0.691 1.00 0.68 O ATOM 0 H TYR A 74 -9.915 -6.895 4.607 1.00 0.33 H new ATOM 0 HA TYR A 74 -9.375 -8.002 2.782 1.00 0.28 H new ATOM 0 HB2 TYR A 74 -8.844 -5.217 1.720 1.00 0.32 H new ATOM 0 HB3 TYR A 74 -8.725 -6.649 0.717 1.00 0.32 H new ATOM 0 HD1 TYR A 74 -10.866 -8.250 0.804 1.00 0.41 H new ATOM 0 HD2 TYR A 74 -10.896 -4.123 1.854 1.00 0.44 H new ATOM 0 HE1 TYR A 74 -13.281 -8.164 0.378 1.00 0.50 H new ATOM 0 HE2 TYR A 74 -13.318 -4.034 1.433 1.00 0.54 H new ATOM 0 HH TYR A 74 -15.121 -5.146 0.907 1.00 0.68 H new ATOM 1070 N VAL A 75 -6.804 -7.677 3.990 1.00 0.45 N ATOM 1071 CA VAL A 75 -5.448 -8.176 4.139 1.00 0.57 C ATOM 1072 C VAL A 75 -5.465 -9.335 5.123 1.00 0.62 C ATOM 1073 O VAL A 75 -6.262 -9.345 6.065 1.00 0.66 O ATOM 1074 CB VAL A 75 -4.454 -7.090 4.635 1.00 0.72 C ATOM 1075 CG1 VAL A 75 -4.364 -5.941 3.643 1.00 1.12 C ATOM 1076 CG2 VAL A 75 -4.841 -6.575 6.012 1.00 1.38 C ATOM 0 H VAL A 75 -7.303 -7.564 4.872 1.00 0.45 H new ATOM 0 HA VAL A 75 -5.101 -8.495 3.156 1.00 0.57 H new ATOM 0 HB VAL A 75 -3.471 -7.555 4.712 1.00 0.72 H new ATOM 0 HG11 VAL A 75 -3.662 -5.194 4.014 1.00 1.12 H new ATOM 0 HG12 VAL A 75 -4.018 -6.318 2.680 1.00 1.12 H new ATOM 0 HG13 VAL A 75 -5.347 -5.486 3.523 1.00 1.12 H new ATOM 0 HG21 VAL A 75 -4.126 -5.817 6.331 1.00 1.38 H new ATOM 0 HG22 VAL A 75 -5.839 -6.138 5.970 1.00 1.38 H new ATOM 0 HG23 VAL A 75 -4.836 -7.400 6.724 1.00 1.38 H new ATOM 1086 N LYS A 76 -4.630 -10.327 4.895 1.00 0.76 N ATOM 1087 CA LYS A 76 -4.591 -11.477 5.778 1.00 0.89 C ATOM 1088 C LYS A 76 -3.656 -11.208 6.947 1.00 0.94 C ATOM 1089 O LYS A 76 -2.517 -10.781 6.745 1.00 0.85 O ATOM 1090 CB LYS A 76 -4.145 -12.725 5.015 1.00 0.97 C ATOM 1091 CG LYS A 76 -4.210 -14.000 5.840 1.00 1.26 C ATOM 1092 CD LYS A 76 -4.055 -15.238 4.972 1.00 1.72 C ATOM 1093 CE LYS A 76 -2.710 -15.275 4.266 1.00 2.01 C ATOM 1094 NZ LYS A 76 -2.608 -16.435 3.339 1.00 2.55 N1+ ATOM 0 H LYS A 76 -3.975 -10.362 4.114 1.00 0.76 H new ATOM 0 HA LYS A 76 -5.595 -11.652 6.165 1.00 0.89 H new ATOM 0 HB2 LYS A 76 -4.771 -12.843 4.130 1.00 0.97 H new ATOM 0 HB3 LYS A 76 -3.123 -12.581 4.665 1.00 0.97 H new ATOM 0 HG2 LYS A 76 -3.425 -13.985 6.596 1.00 1.26 H new ATOM 0 HG3 LYS A 76 -5.162 -14.043 6.369 1.00 1.26 H new ATOM 0 HD2 LYS A 76 -4.165 -16.129 5.590 1.00 1.72 H new ATOM 0 HD3 LYS A 76 -4.854 -15.263 4.231 1.00 1.72 H new ATOM 0 HE2 LYS A 76 -2.566 -14.350 3.708 1.00 2.01 H new ATOM 0 HE3 LYS A 76 -1.912 -15.329 5.006 1.00 2.01 H new ATOM 0 HZ1 LYS A 76 -1.793 -16.304 2.707 1.00 2.55 H new ATOM 0 HZ2 LYS A 76 -2.483 -17.309 3.889 1.00 2.55 H new ATOM 0 HZ3 LYS A 76 -3.477 -16.504 2.773 1.00 2.55 H new ATOM 1108 N PRO A 77 -4.131 -11.429 8.186 1.00 1.21 N ATOM 1109 CA PRO A 77 -3.309 -11.279 9.390 1.00 1.37 C ATOM 1110 C PRO A 77 -2.231 -12.355 9.463 1.00 1.27 C ATOM 1111 O PRO A 77 -2.273 -13.252 10.305 1.00 1.73 O ATOM 1112 CB PRO A 77 -4.313 -11.433 10.536 1.00 1.75 C ATOM 1113 CG PRO A 77 -5.430 -12.232 9.958 1.00 1.92 C ATOM 1114 CD PRO A 77 -5.512 -11.839 8.507 1.00 1.48 C ATOM 0 HA PRO A 77 -2.776 -10.329 9.416 1.00 1.37 H new ATOM 0 HB2 PRO A 77 -3.864 -11.940 11.390 1.00 1.75 H new ATOM 0 HB3 PRO A 77 -4.662 -10.463 10.889 1.00 1.75 H new ATOM 0 HG2 PRO A 77 -5.241 -13.300 10.063 1.00 1.92 H new ATOM 0 HG3 PRO A 77 -6.367 -12.022 10.473 1.00 1.92 H new ATOM 0 HD2 PRO A 77 -5.840 -12.671 7.883 1.00 1.48 H new ATOM 0 HD3 PRO A 77 -6.220 -11.025 8.350 1.00 1.48 H new ATOM 1122 N ASP A 78 -1.277 -12.254 8.560 1.00 1.23 N ATOM 1123 CA ASP A 78 -0.231 -13.252 8.409 1.00 1.22 C ATOM 1124 C ASP A 78 1.003 -12.599 7.806 1.00 0.97 C ATOM 1125 O ASP A 78 2.120 -12.810 8.280 1.00 1.45 O ATOM 1126 CB ASP A 78 -0.732 -14.385 7.509 1.00 1.84 C ATOM 1127 CG ASP A 78 0.265 -15.514 7.362 1.00 2.76 C ATOM 1128 OD1 ASP A 78 0.457 -16.275 8.332 1.00 3.17 O ATOM 1129 OD2 ASP A 78 0.883 -15.626 6.285 1.00 3.52 O1- ATOM 0 H ASP A 78 -1.203 -11.475 7.906 1.00 1.23 H new ATOM 0 HA ASP A 78 0.029 -13.668 9.382 1.00 1.22 H new ATOM 0 HB2 ASP A 78 -1.662 -14.781 7.917 1.00 1.84 H new ATOM 0 HB3 ASP A 78 -0.963 -13.982 6.523 1.00 1.84 H new ATOM 1134 N ASP A 79 0.776 -11.798 6.767 1.00 0.95 N ATOM 1135 CA ASP A 79 1.819 -10.964 6.161 1.00 1.45 C ATOM 1136 C ASP A 79 3.071 -11.760 5.821 1.00 1.04 C ATOM 1137 O ASP A 79 4.174 -11.442 6.283 1.00 1.19 O ATOM 1138 CB ASP A 79 2.175 -9.790 7.077 1.00 2.34 C ATOM 1139 CG ASP A 79 1.033 -8.810 7.234 1.00 3.15 C ATOM 1140 OD1 ASP A 79 0.422 -8.423 6.209 1.00 3.57 O1- ATOM 1141 OD2 ASP A 79 0.727 -8.432 8.378 1.00 3.58 O ATOM 0 H ASP A 79 -0.136 -11.707 6.319 1.00 0.95 H new ATOM 0 HA ASP A 79 1.411 -10.579 5.226 1.00 1.45 H new ATOM 0 HB2 ASP A 79 2.459 -10.172 8.058 1.00 2.34 H new ATOM 0 HB3 ASP A 79 3.043 -9.269 6.674 1.00 2.34 H new ATOM 1146 N ALA A 80 2.897 -12.799 5.024 1.00 0.88 N ATOM 1147 CA ALA A 80 4.021 -13.589 4.554 1.00 0.73 C ATOM 1148 C ALA A 80 4.557 -13.021 3.248 1.00 0.65 C ATOM 1149 O ALA A 80 5.762 -13.024 3.004 1.00 0.82 O ATOM 1150 CB ALA A 80 3.622 -15.046 4.386 1.00 1.02 C ATOM 0 H ALA A 80 1.987 -13.116 4.688 1.00 0.88 H new ATOM 0 HA ALA A 80 4.813 -13.541 5.301 1.00 0.73 H new ATOM 0 HB1 ALA A 80 4.479 -15.620 4.033 1.00 1.02 H new ATOM 0 HB2 ALA A 80 3.288 -15.445 5.344 1.00 1.02 H new ATOM 0 HB3 ALA A 80 2.812 -15.120 3.660 1.00 1.02 H new ATOM 1156 N ARG A 81 3.654 -12.521 2.416 1.00 0.61 N ATOM 1157 CA ARG A 81 4.043 -11.906 1.153 1.00 0.73 C ATOM 1158 C ARG A 81 3.979 -10.389 1.264 1.00 0.72 C ATOM 1159 O ARG A 81 4.644 -9.668 0.519 1.00 0.96 O ATOM 1160 CB ARG A 81 3.131 -12.382 0.023 1.00 0.87 C ATOM 1161 CG ARG A 81 3.156 -13.886 -0.205 1.00 1.31 C ATOM 1162 CD ARG A 81 2.181 -14.285 -1.301 1.00 1.36 C ATOM 1163 NE ARG A 81 2.226 -15.714 -1.598 1.00 1.55 N ATOM 1164 CZ ARG A 81 1.910 -16.233 -2.783 1.00 1.73 C ATOM 1165 NH1 ARG A 81 1.590 -15.435 -3.795 1.00 1.75 N1+ ATOM 1166 NH2 ARG A 81 1.929 -17.547 -2.962 1.00 2.33 N ATOM 0 H ARG A 81 2.649 -12.529 2.591 1.00 0.61 H new ATOM 0 HA ARG A 81 5.067 -12.203 0.927 1.00 0.73 H new ATOM 0 HB2 ARG A 81 2.108 -12.076 0.243 1.00 0.87 H new ATOM 0 HB3 ARG A 81 3.422 -11.881 -0.900 1.00 0.87 H new ATOM 0 HG2 ARG A 81 4.164 -14.200 -0.477 1.00 1.31 H new ATOM 0 HG3 ARG A 81 2.900 -14.402 0.720 1.00 1.31 H new ATOM 0 HD2 ARG A 81 1.170 -14.012 -1.000 1.00 1.36 H new ATOM 0 HD3 ARG A 81 2.407 -13.722 -2.206 1.00 1.36 H new ATOM 0 HE ARG A 81 2.516 -16.351 -0.856 1.00 1.55 H new ATOM 0 HH11 ARG A 81 1.586 -14.423 -3.665 1.00 1.75 H new ATOM 0 HH12 ARG A 81 1.348 -15.834 -4.702 1.00 1.75 H new ATOM 0 HH21 ARG A 81 2.186 -18.163 -2.191 1.00 2.33 H new ATOM 0 HH22 ARG A 81 1.686 -17.941 -3.871 1.00 2.33 H new ATOM 1180 N VAL A 82 3.172 -9.915 2.201 1.00 0.60 N ATOM 1181 CA VAL A 82 3.002 -8.490 2.424 1.00 0.62 C ATOM 1182 C VAL A 82 4.062 -7.973 3.389 1.00 0.58 C ATOM 1183 O VAL A 82 4.262 -8.531 4.467 1.00 0.74 O ATOM 1184 CB VAL A 82 1.599 -8.176 2.989 1.00 0.69 C ATOM 1185 CG1 VAL A 82 1.423 -6.681 3.206 1.00 0.77 C ATOM 1186 CG2 VAL A 82 0.514 -8.706 2.066 1.00 0.78 C ATOM 0 H VAL A 82 2.620 -10.504 2.824 1.00 0.60 H new ATOM 0 HA VAL A 82 3.111 -7.991 1.461 1.00 0.62 H new ATOM 0 HB VAL A 82 1.508 -8.676 3.953 1.00 0.69 H new ATOM 0 HG11 VAL A 82 0.427 -6.486 3.604 1.00 0.77 H new ATOM 0 HG12 VAL A 82 2.173 -6.325 3.913 1.00 0.77 H new ATOM 0 HG13 VAL A 82 1.543 -6.159 2.257 1.00 0.77 H new ATOM 0 HG21 VAL A 82 -0.465 -8.473 2.484 1.00 0.78 H new ATOM 0 HG22 VAL A 82 0.610 -8.239 1.086 1.00 0.78 H new ATOM 0 HG23 VAL A 82 0.618 -9.786 1.965 1.00 0.78 H new ATOM 1196 N VAL A 83 4.748 -6.914 2.985 1.00 0.42 N ATOM 1197 CA VAL A 83 5.773 -6.308 3.817 1.00 0.42 C ATOM 1198 C VAL A 83 5.148 -5.300 4.772 1.00 0.38 C ATOM 1199 O VAL A 83 5.523 -5.213 5.940 1.00 0.43 O ATOM 1200 CB VAL A 83 6.845 -5.602 2.961 1.00 0.47 C ATOM 1201 CG1 VAL A 83 7.934 -5.010 3.839 1.00 0.65 C ATOM 1202 CG2 VAL A 83 7.442 -6.567 1.952 1.00 0.91 C ATOM 0 H VAL A 83 4.612 -6.457 2.083 1.00 0.42 H new ATOM 0 HA VAL A 83 6.251 -7.106 4.385 1.00 0.42 H new ATOM 0 HB VAL A 83 6.364 -4.788 2.419 1.00 0.47 H new ATOM 0 HG11 VAL A 83 8.678 -4.518 3.213 1.00 0.65 H new ATOM 0 HG12 VAL A 83 7.495 -4.282 4.522 1.00 0.65 H new ATOM 0 HG13 VAL A 83 8.411 -5.805 4.413 1.00 0.65 H new ATOM 0 HG21 VAL A 83 8.196 -6.051 1.357 1.00 0.91 H new ATOM 0 HG22 VAL A 83 7.904 -7.403 2.477 1.00 0.91 H new ATOM 0 HG23 VAL A 83 6.656 -6.940 1.296 1.00 0.91 H new ATOM 1212 N ALA A 84 4.183 -4.549 4.265 1.00 0.35 N ATOM 1213 CA ALA A 84 3.499 -3.542 5.057 1.00 0.34 C ATOM 1214 C ALA A 84 2.140 -3.224 4.454 1.00 0.31 C ATOM 1215 O ALA A 84 1.953 -3.338 3.241 1.00 0.31 O ATOM 1216 CB ALA A 84 4.344 -2.285 5.156 1.00 0.36 C ATOM 0 H ALA A 84 3.855 -4.620 3.302 1.00 0.35 H new ATOM 0 HA ALA A 84 3.346 -3.936 6.062 1.00 0.34 H new ATOM 0 HB1 ALA A 84 3.818 -1.539 5.752 1.00 0.36 H new ATOM 0 HB2 ALA A 84 5.296 -2.523 5.630 1.00 0.36 H new ATOM 0 HB3 ALA A 84 4.525 -1.889 4.157 1.00 0.36 H new ATOM 1222 N HIS A 85 1.195 -2.837 5.302 1.00 0.30 N ATOM 1223 CA HIS A 85 -0.162 -2.539 4.854 1.00 0.28 C ATOM 1224 C HIS A 85 -0.854 -1.583 5.810 1.00 0.28 C ATOM 1225 O HIS A 85 -0.661 -1.657 7.023 1.00 0.36 O ATOM 1226 CB HIS A 85 -0.993 -3.827 4.735 1.00 0.31 C ATOM 1227 CG HIS A 85 -0.998 -4.676 5.977 1.00 0.78 C ATOM 1228 ND1 HIS A 85 -2.035 -4.692 6.885 1.00 0.86 N ATOM 1229 CD2 HIS A 85 -0.085 -5.558 6.445 1.00 1.53 C ATOM 1230 CE1 HIS A 85 -1.755 -5.548 7.853 1.00 1.53 C ATOM 1231 NE2 HIS A 85 -0.577 -6.089 7.608 1.00 1.96 N ATOM 0 H HIS A 85 1.342 -2.722 6.305 1.00 0.30 H new ATOM 0 HA HIS A 85 -0.086 -2.068 3.874 1.00 0.28 H new ATOM 0 HB2 HIS A 85 -2.020 -3.561 4.486 1.00 0.31 H new ATOM 0 HB3 HIS A 85 -0.607 -4.419 3.905 1.00 0.31 H new ATOM 0 HD2 HIS A 85 0.861 -5.800 5.985 1.00 1.53 H new ATOM 0 HE1 HIS A 85 -2.385 -5.768 8.702 1.00 1.53 H new ATOM 0 HE2 HIS A 85 -0.110 -6.786 8.188 1.00 1.96 H new ATOM 1240 N THR A 86 -1.651 -0.684 5.256 1.00 0.25 N ATOM 1241 CA THR A 86 -2.494 0.183 6.058 1.00 0.27 C ATOM 1242 C THR A 86 -3.855 -0.474 6.260 1.00 0.31 C ATOM 1243 O THR A 86 -4.178 -1.466 5.602 1.00 0.50 O ATOM 1244 CB THR A 86 -2.695 1.560 5.394 1.00 0.24 C ATOM 1245 OG1 THR A 86 -3.269 1.393 4.094 1.00 0.27 O ATOM 1246 CG2 THR A 86 -1.384 2.318 5.275 1.00 0.29 C ATOM 0 H THR A 86 -1.731 -0.536 4.250 1.00 0.25 H new ATOM 0 HA THR A 86 -1.996 0.335 7.016 1.00 0.27 H new ATOM 0 HB THR A 86 -3.368 2.140 6.026 1.00 0.24 H new ATOM 0 HG1 THR A 86 -3.107 2.198 3.559 1.00 0.27 H new ATOM 0 HG21 THR A 86 -1.564 3.284 4.803 1.00 0.29 H new ATOM 0 HG22 THR A 86 -0.962 2.473 6.268 1.00 0.29 H new ATOM 0 HG23 THR A 86 -0.685 1.742 4.669 1.00 0.29 H new ATOM 1254 N LYS A 87 -4.642 0.075 7.169 1.00 0.29 N ATOM 1255 CA LYS A 87 -5.988 -0.421 7.417 1.00 0.32 C ATOM 1256 C LYS A 87 -6.996 0.368 6.586 1.00 0.29 C ATOM 1257 O LYS A 87 -6.687 1.461 6.108 1.00 0.35 O ATOM 1258 CB LYS A 87 -6.307 -0.313 8.909 1.00 0.40 C ATOM 1259 CG LYS A 87 -5.391 -1.167 9.774 1.00 1.07 C ATOM 1260 CD LYS A 87 -5.607 -0.921 11.257 1.00 1.29 C ATOM 1261 CE LYS A 87 -5.065 0.434 11.684 1.00 1.83 C ATOM 1262 NZ LYS A 87 -3.606 0.560 11.416 1.00 2.85 N1+ ATOM 0 H LYS A 87 -4.372 0.868 7.751 1.00 0.29 H new ATOM 0 HA LYS A 87 -6.051 -1.469 7.123 1.00 0.32 H new ATOM 0 HB2 LYS A 87 -6.224 0.729 9.219 1.00 0.40 H new ATOM 0 HB3 LYS A 87 -7.341 -0.614 9.077 1.00 0.40 H new ATOM 0 HG2 LYS A 87 -5.564 -2.220 9.553 1.00 1.07 H new ATOM 0 HG3 LYS A 87 -4.353 -0.955 9.520 1.00 1.07 H new ATOM 0 HD2 LYS A 87 -6.672 -0.976 11.484 1.00 1.29 H new ATOM 0 HD3 LYS A 87 -5.117 -1.707 11.832 1.00 1.29 H new ATOM 0 HE2 LYS A 87 -5.600 1.222 11.154 1.00 1.83 H new ATOM 0 HE3 LYS A 87 -5.252 0.581 12.748 1.00 1.83 H new ATOM 0 HZ1 LYS A 87 -3.226 1.374 11.940 1.00 2.85 H new ATOM 0 HZ2 LYS A 87 -3.120 -0.307 11.723 1.00 2.85 H new ATOM 0 HZ3 LYS A 87 -3.451 0.701 10.397 1.00 2.85 H new ATOM 1276 N LEU A 88 -8.191 -0.195 6.408 1.00 0.30 N ATOM 1277 CA LEU A 88 -9.228 0.449 5.609 1.00 0.37 C ATOM 1278 C LEU A 88 -9.697 1.730 6.270 1.00 0.36 C ATOM 1279 O LEU A 88 -10.273 1.713 7.361 1.00 0.50 O ATOM 1280 CB LEU A 88 -10.431 -0.472 5.388 1.00 0.52 C ATOM 1281 CG LEU A 88 -10.278 -1.535 4.294 1.00 0.56 C ATOM 1282 CD1 LEU A 88 -11.604 -2.249 4.079 1.00 1.24 C ATOM 1283 CD2 LEU A 88 -9.790 -0.912 2.989 1.00 0.92 C ATOM 0 H LEU A 88 -8.463 -1.094 6.806 1.00 0.30 H new ATOM 0 HA LEU A 88 -8.784 0.677 4.640 1.00 0.37 H new ATOM 0 HB2 LEU A 88 -10.653 -0.977 6.328 1.00 0.52 H new ATOM 0 HB3 LEU A 88 -11.296 0.146 5.147 1.00 0.52 H new ATOM 0 HG LEU A 88 -9.531 -2.260 4.618 1.00 0.56 H new ATOM 0 HD11 LEU A 88 -11.489 -3.003 3.300 1.00 1.24 H new ATOM 0 HD12 LEU A 88 -11.913 -2.730 5.007 1.00 1.24 H new ATOM 0 HD13 LEU A 88 -12.361 -1.526 3.775 1.00 1.24 H new ATOM 0 HD21 LEU A 88 -9.690 -1.688 2.230 1.00 0.92 H new ATOM 0 HD22 LEU A 88 -10.508 -0.165 2.652 1.00 0.92 H new ATOM 0 HD23 LEU A 88 -8.822 -0.437 3.152 1.00 0.92 H new ATOM 1295 N ILE A 89 -9.450 2.833 5.600 1.00 0.31 N ATOM 1296 CA ILE A 89 -9.813 4.136 6.118 1.00 0.31 C ATOM 1297 C ILE A 89 -10.885 4.787 5.255 1.00 0.33 C ATOM 1298 O ILE A 89 -10.843 4.708 4.025 1.00 0.35 O ATOM 1299 CB ILE A 89 -8.579 5.058 6.215 1.00 0.27 C ATOM 1300 CG1 ILE A 89 -7.804 5.072 4.891 1.00 0.23 C ATOM 1301 CG2 ILE A 89 -7.682 4.608 7.360 1.00 0.28 C ATOM 1302 CD1 ILE A 89 -6.635 6.034 4.881 1.00 0.21 C ATOM 0 H ILE A 89 -8.995 2.855 4.687 1.00 0.31 H new ATOM 0 HA ILE A 89 -10.216 3.990 7.120 1.00 0.31 H new ATOM 0 HB ILE A 89 -8.918 6.074 6.415 1.00 0.27 H new ATOM 0 HG12 ILE A 89 -7.438 4.067 4.684 1.00 0.23 H new ATOM 0 HG13 ILE A 89 -8.487 5.335 4.083 1.00 0.23 H new ATOM 0 HG21 ILE A 89 -6.814 5.264 7.421 1.00 0.28 H new ATOM 0 HG22 ILE A 89 -8.238 4.653 8.297 1.00 0.28 H new ATOM 0 HG23 ILE A 89 -7.352 3.584 7.183 1.00 0.28 H new ATOM 0 HD11 ILE A 89 -6.135 5.989 3.913 1.00 0.21 H new ATOM 0 HD12 ILE A 89 -6.996 7.047 5.056 1.00 0.21 H new ATOM 0 HD13 ILE A 89 -5.931 5.759 5.666 1.00 0.21 H new ATOM 1314 N GLY A 90 -11.861 5.399 5.913 1.00 0.34 N ATOM 1315 CA GLY A 90 -12.926 6.088 5.215 1.00 0.37 C ATOM 1316 C GLY A 90 -12.566 7.527 4.902 1.00 0.51 C ATOM 1317 O GLY A 90 -11.428 7.951 5.117 1.00 0.79 O ATOM 0 H GLY A 90 -11.933 5.429 6.930 1.00 0.34 H new ATOM 0 HA2 GLY A 90 -13.151 5.561 4.288 1.00 0.37 H new ATOM 0 HA3 GLY A 90 -13.831 6.065 5.822 1.00 0.37 H new ATOM 1321 N GLY A 91 -13.533 8.276 4.391 1.00 0.60 N ATOM 1322 CA GLY A 91 -13.295 9.659 4.024 1.00 0.81 C ATOM 1323 C GLY A 91 -12.959 10.533 5.217 1.00 0.57 C ATOM 1324 O GLY A 91 -13.807 10.779 6.071 1.00 0.70 O ATOM 0 H GLY A 91 -14.484 7.949 4.223 1.00 0.60 H new ATOM 0 HA2 GLY A 91 -12.477 9.704 3.305 1.00 0.81 H new ATOM 0 HA3 GLY A 91 -14.180 10.056 3.526 1.00 0.81 H new ATOM 1328 N GLY A 92 -11.717 10.994 5.274 1.00 0.54 N ATOM 1329 CA GLY A 92 -11.286 11.856 6.355 1.00 0.56 C ATOM 1330 C GLY A 92 -10.262 11.183 7.247 1.00 0.52 C ATOM 1331 O GLY A 92 -9.546 11.845 8.001 1.00 0.80 O ATOM 0 H GLY A 92 -10.995 10.784 4.584 1.00 0.54 H new ATOM 0 HA2 GLY A 92 -10.861 12.770 5.941 1.00 0.56 H new ATOM 0 HA3 GLY A 92 -12.150 12.148 6.952 1.00 0.56 H new ATOM 1335 N GLU A 93 -10.177 9.865 7.145 1.00 0.34 N ATOM 1336 CA GLU A 93 -9.296 9.089 8.006 1.00 0.27 C ATOM 1337 C GLU A 93 -7.889 8.995 7.431 1.00 0.23 C ATOM 1338 O GLU A 93 -7.637 9.398 6.290 1.00 0.29 O ATOM 1339 CB GLU A 93 -9.858 7.685 8.218 1.00 0.30 C ATOM 1340 CG GLU A 93 -11.084 7.631 9.113 1.00 0.38 C ATOM 1341 CD GLU A 93 -11.578 6.216 9.307 1.00 1.32 C ATOM 1342 OE1 GLU A 93 -11.093 5.533 10.231 1.00 1.33 O ATOM 1343 OE2 GLU A 93 -12.446 5.774 8.529 1.00 2.34 O1- ATOM 0 H GLU A 93 -10.708 9.310 6.474 1.00 0.34 H new ATOM 0 HA GLU A 93 -9.239 9.606 8.964 1.00 0.27 H new ATOM 0 HB2 GLU A 93 -10.112 7.258 7.248 1.00 0.30 H new ATOM 0 HB3 GLU A 93 -9.079 7.056 8.650 1.00 0.30 H new ATOM 0 HG2 GLU A 93 -10.845 8.068 10.082 1.00 0.38 H new ATOM 0 HG3 GLU A 93 -11.879 8.236 8.677 1.00 0.38 H new ATOM 1350 N GLU A 94 -6.977 8.467 8.235 1.00 0.21 N ATOM 1351 CA GLU A 94 -5.589 8.304 7.839 1.00 0.21 C ATOM 1352 C GLU A 94 -4.948 7.160 8.615 1.00 0.22 C ATOM 1353 O GLU A 94 -5.310 6.900 9.763 1.00 0.28 O ATOM 1354 CB GLU A 94 -4.813 9.601 8.088 1.00 0.25 C ATOM 1355 CG GLU A 94 -4.880 10.082 9.526 1.00 0.83 C ATOM 1356 CD GLU A 94 -4.117 11.366 9.742 1.00 1.27 C ATOM 1357 OE1 GLU A 94 -4.641 12.441 9.383 1.00 1.67 O1- ATOM 1358 OE2 GLU A 94 -2.982 11.303 10.262 1.00 1.86 O ATOM 0 H GLU A 94 -7.180 8.140 9.180 1.00 0.21 H new ATOM 0 HA GLU A 94 -5.557 8.069 6.775 1.00 0.21 H new ATOM 0 HB2 GLU A 94 -3.769 9.449 7.813 1.00 0.25 H new ATOM 0 HB3 GLU A 94 -5.205 10.380 7.434 1.00 0.25 H new ATOM 0 HG2 GLU A 94 -5.922 10.231 9.808 1.00 0.83 H new ATOM 0 HG3 GLU A 94 -4.479 9.310 10.183 1.00 0.83 H new ATOM 1365 N SER A 95 -4.006 6.478 7.985 1.00 0.22 N ATOM 1366 CA SER A 95 -3.270 5.409 8.641 1.00 0.27 C ATOM 1367 C SER A 95 -1.910 5.251 7.972 1.00 0.23 C ATOM 1368 O SER A 95 -1.766 5.517 6.777 1.00 0.29 O ATOM 1369 CB SER A 95 -4.061 4.094 8.591 1.00 0.37 C ATOM 1370 OG SER A 95 -3.498 3.119 9.455 1.00 1.35 O ATOM 0 H SER A 95 -3.732 6.646 7.017 1.00 0.22 H new ATOM 0 HA SER A 95 -3.124 5.665 9.690 1.00 0.27 H new ATOM 0 HB2 SER A 95 -5.097 4.280 8.875 1.00 0.37 H new ATOM 0 HB3 SER A 95 -4.074 3.714 7.570 1.00 0.37 H new ATOM 0 HG SER A 95 -4.024 2.293 9.403 1.00 1.35 H new ATOM 1376 N SER A 96 -0.914 4.841 8.739 1.00 0.28 N ATOM 1377 CA SER A 96 0.442 4.740 8.234 1.00 0.25 C ATOM 1378 C SER A 96 0.992 3.329 8.400 1.00 0.27 C ATOM 1379 O SER A 96 0.490 2.544 9.206 1.00 0.35 O ATOM 1380 CB SER A 96 1.335 5.749 8.962 1.00 0.29 C ATOM 1381 OG SER A 96 1.158 5.665 10.366 1.00 1.00 O ATOM 0 H SER A 96 -1.021 4.572 9.717 1.00 0.28 H new ATOM 0 HA SER A 96 0.431 4.966 7.168 1.00 0.25 H new ATOM 0 HB2 SER A 96 2.379 5.562 8.712 1.00 0.29 H new ATOM 0 HB3 SER A 96 1.101 6.758 8.622 1.00 0.29 H new ATOM 0 HG SER A 96 1.740 6.318 10.809 1.00 1.00 H new ATOM 1387 N LEU A 97 2.012 3.013 7.617 1.00 0.22 N ATOM 1388 CA LEU A 97 2.697 1.735 7.717 1.00 0.25 C ATOM 1389 C LEU A 97 4.200 1.962 7.778 1.00 0.24 C ATOM 1390 O LEU A 97 4.682 3.036 7.419 1.00 0.21 O ATOM 1391 CB LEU A 97 2.327 0.826 6.532 1.00 0.26 C ATOM 1392 CG LEU A 97 2.599 1.390 5.121 1.00 0.23 C ATOM 1393 CD1 LEU A 97 4.079 1.320 4.757 1.00 0.23 C ATOM 1394 CD2 LEU A 97 1.783 0.638 4.084 1.00 0.25 C ATOM 0 H LEU A 97 2.386 3.632 6.898 1.00 0.22 H new ATOM 0 HA LEU A 97 2.381 1.234 8.632 1.00 0.25 H new ATOM 0 HB2 LEU A 97 2.874 -0.111 6.636 1.00 0.26 H new ATOM 0 HB3 LEU A 97 1.266 0.585 6.605 1.00 0.26 H new ATOM 0 HG LEU A 97 2.302 2.439 5.129 1.00 0.23 H new ATOM 0 HD11 LEU A 97 4.227 1.727 3.757 1.00 0.23 H new ATOM 0 HD12 LEU A 97 4.658 1.901 5.475 1.00 0.23 H new ATOM 0 HD13 LEU A 97 4.410 0.282 4.779 1.00 0.23 H new ATOM 0 HD21 LEU A 97 1.986 1.048 3.094 1.00 0.25 H new ATOM 0 HD22 LEU A 97 2.055 -0.417 4.103 1.00 0.25 H new ATOM 0 HD23 LEU A 97 0.722 0.743 4.310 1.00 0.25 H new ATOM 1406 N THR A 98 4.935 0.958 8.221 1.00 0.31 N ATOM 1407 CA THR A 98 6.383 1.055 8.301 1.00 0.31 C ATOM 1408 C THR A 98 7.025 -0.258 7.862 1.00 0.32 C ATOM 1409 O THR A 98 6.600 -1.334 8.281 1.00 0.41 O ATOM 1410 CB THR A 98 6.836 1.412 9.732 1.00 0.37 C ATOM 1411 OG1 THR A 98 6.192 2.620 10.162 1.00 1.14 O ATOM 1412 CG2 THR A 98 8.343 1.592 9.800 1.00 0.79 C ATOM 0 H THR A 98 4.553 0.065 8.531 1.00 0.31 H new ATOM 0 HA THR A 98 6.706 1.852 7.631 1.00 0.31 H new ATOM 0 HB THR A 98 6.555 0.590 10.390 1.00 0.37 H new ATOM 0 HG1 THR A 98 6.483 2.840 11.072 1.00 1.14 H new ATOM 0 HG21 THR A 98 8.634 1.843 10.820 1.00 0.79 H new ATOM 0 HG22 THR A 98 8.834 0.666 9.500 1.00 0.79 H new ATOM 0 HG23 THR A 98 8.644 2.396 9.129 1.00 0.79 H new ATOM 1420 N LEU A 99 8.037 -0.165 7.009 1.00 0.30 N ATOM 1421 CA LEU A 99 8.690 -1.349 6.460 1.00 0.34 C ATOM 1422 C LEU A 99 10.209 -1.194 6.453 1.00 0.32 C ATOM 1423 O LEU A 99 10.730 -0.080 6.560 1.00 0.29 O ATOM 1424 CB LEU A 99 8.168 -1.616 5.040 1.00 0.37 C ATOM 1425 CG LEU A 99 8.269 -0.442 4.057 1.00 0.37 C ATOM 1426 CD1 LEU A 99 9.633 -0.399 3.385 1.00 0.42 C ATOM 1427 CD2 LEU A 99 7.173 -0.529 3.013 1.00 0.49 C ATOM 0 H LEU A 99 8.425 0.719 6.681 1.00 0.30 H new ATOM 0 HA LEU A 99 8.451 -2.201 7.097 1.00 0.34 H new ATOM 0 HB2 LEU A 99 8.718 -2.461 4.625 1.00 0.37 H new ATOM 0 HB3 LEU A 99 7.123 -1.918 5.109 1.00 0.37 H new ATOM 0 HG LEU A 99 8.144 0.480 4.625 1.00 0.37 H new ATOM 0 HD11 LEU A 99 9.672 0.444 2.695 1.00 0.42 H new ATOM 0 HD12 LEU A 99 10.408 -0.284 4.142 1.00 0.42 H new ATOM 0 HD13 LEU A 99 9.797 -1.326 2.835 1.00 0.42 H new ATOM 0 HD21 LEU A 99 7.259 0.311 2.324 1.00 0.49 H new ATOM 0 HD22 LEU A 99 7.271 -1.463 2.460 1.00 0.49 H new ATOM 0 HD23 LEU A 99 6.200 -0.498 3.503 1.00 0.49 H new ATOM 1439 N ASP A 100 10.906 -2.320 6.332 1.00 0.38 N ATOM 1440 CA ASP A 100 12.362 -2.326 6.254 1.00 0.40 C ATOM 1441 C ASP A 100 12.808 -2.405 4.797 1.00 0.38 C ATOM 1442 O ASP A 100 12.558 -3.404 4.116 1.00 0.42 O ATOM 1443 CB ASP A 100 12.934 -3.515 7.038 1.00 0.50 C ATOM 1444 CG ASP A 100 14.454 -3.505 7.123 1.00 1.26 C ATOM 1445 OD1 ASP A 100 15.077 -2.605 6.520 1.00 2.08 O1- ATOM 1446 OD2 ASP A 100 15.039 -4.395 7.777 1.00 1.72 O ATOM 0 H ASP A 100 10.481 -3.246 6.286 1.00 0.38 H new ATOM 0 HA ASP A 100 12.737 -1.402 6.693 1.00 0.40 H new ATOM 0 HB2 ASP A 100 12.521 -3.509 8.047 1.00 0.50 H new ATOM 0 HB3 ASP A 100 12.609 -4.442 6.566 1.00 0.50 H new ATOM 1451 N PRO A 101 13.470 -1.341 4.304 1.00 0.38 N ATOM 1452 CA PRO A 101 13.971 -1.268 2.924 1.00 0.41 C ATOM 1453 C PRO A 101 14.853 -2.452 2.538 1.00 0.39 C ATOM 1454 O PRO A 101 14.933 -2.817 1.364 1.00 0.43 O ATOM 1455 CB PRO A 101 14.802 0.017 2.910 1.00 0.46 C ATOM 1456 CG PRO A 101 14.248 0.851 4.010 1.00 0.53 C ATOM 1457 CD PRO A 101 13.763 -0.109 5.062 1.00 0.43 C ATOM 0 HA PRO A 101 13.148 -1.283 2.210 1.00 0.41 H new ATOM 0 HB2 PRO A 101 15.859 -0.196 3.071 1.00 0.46 H new ATOM 0 HB3 PRO A 101 14.722 0.527 1.950 1.00 0.46 H new ATOM 0 HG2 PRO A 101 15.009 1.518 4.414 1.00 0.53 H new ATOM 0 HG3 PRO A 101 13.433 1.478 3.650 1.00 0.53 H new ATOM 0 HD2 PRO A 101 14.520 -0.280 5.827 1.00 0.43 H new ATOM 0 HD3 PRO A 101 12.876 0.269 5.570 1.00 0.43 H new ATOM 1465 N ALA A 102 15.501 -3.058 3.528 1.00 0.42 N ATOM 1466 CA ALA A 102 16.405 -4.174 3.285 1.00 0.48 C ATOM 1467 C ALA A 102 15.675 -5.346 2.642 1.00 0.46 C ATOM 1468 O ALA A 102 16.254 -6.097 1.860 1.00 0.49 O ATOM 1469 CB ALA A 102 17.061 -4.614 4.586 1.00 0.62 C ATOM 0 H ALA A 102 15.415 -2.793 4.509 1.00 0.42 H new ATOM 0 HA ALA A 102 17.177 -3.837 2.593 1.00 0.48 H new ATOM 0 HB1 ALA A 102 17.734 -5.449 4.390 1.00 0.62 H new ATOM 0 HB2 ALA A 102 17.627 -3.783 5.007 1.00 0.62 H new ATOM 0 HB3 ALA A 102 16.293 -4.926 5.294 1.00 0.62 H new ATOM 1475 N LYS A 103 14.395 -5.481 2.956 1.00 0.47 N ATOM 1476 CA LYS A 103 13.598 -6.588 2.450 1.00 0.52 C ATOM 1477 C LYS A 103 13.197 -6.348 0.995 1.00 0.52 C ATOM 1478 O LYS A 103 12.974 -7.288 0.235 1.00 0.69 O ATOM 1479 CB LYS A 103 12.353 -6.776 3.320 1.00 0.60 C ATOM 1480 CG LYS A 103 11.540 -8.008 2.966 1.00 1.28 C ATOM 1481 CD LYS A 103 10.318 -8.139 3.856 1.00 1.53 C ATOM 1482 CE LYS A 103 9.536 -9.406 3.550 1.00 2.13 C ATOM 1483 NZ LYS A 103 10.354 -10.630 3.759 1.00 2.92 N1+ ATOM 0 H LYS A 103 13.885 -4.836 3.560 1.00 0.47 H new ATOM 0 HA LYS A 103 14.201 -7.495 2.491 1.00 0.52 H new ATOM 0 HB2 LYS A 103 12.657 -6.841 4.365 1.00 0.60 H new ATOM 0 HB3 LYS A 103 11.719 -5.894 3.227 1.00 0.60 H new ATOM 0 HG2 LYS A 103 11.228 -7.953 1.923 1.00 1.28 H new ATOM 0 HG3 LYS A 103 12.162 -8.897 3.066 1.00 1.28 H new ATOM 0 HD2 LYS A 103 10.627 -8.145 4.901 1.00 1.53 H new ATOM 0 HD3 LYS A 103 9.673 -7.271 3.720 1.00 1.53 H new ATOM 0 HE2 LYS A 103 8.651 -9.448 4.185 1.00 2.13 H new ATOM 0 HE3 LYS A 103 9.186 -9.376 2.518 1.00 2.13 H new ATOM 0 HZ1 LYS A 103 9.730 -11.461 3.807 1.00 2.92 H new ATOM 0 HZ2 LYS A 103 11.020 -10.742 2.968 1.00 2.92 H new ATOM 0 HZ3 LYS A 103 10.885 -10.545 4.649 1.00 2.92 H new ATOM 1497 N LEU A 104 13.135 -5.083 0.603 1.00 0.43 N ATOM 1498 CA LEU A 104 12.698 -4.721 -0.743 1.00 0.44 C ATOM 1499 C LEU A 104 13.858 -4.794 -1.725 1.00 0.47 C ATOM 1500 O LEU A 104 13.674 -4.663 -2.935 1.00 0.51 O ATOM 1501 CB LEU A 104 12.091 -3.313 -0.764 1.00 0.43 C ATOM 1502 CG LEU A 104 10.617 -3.204 -0.342 1.00 0.70 C ATOM 1503 CD1 LEU A 104 10.400 -3.725 1.070 1.00 1.22 C ATOM 1504 CD2 LEU A 104 10.147 -1.762 -0.446 1.00 1.30 C ATOM 0 H LEU A 104 13.381 -4.290 1.195 1.00 0.43 H new ATOM 0 HA LEU A 104 11.933 -5.436 -1.045 1.00 0.44 H new ATOM 0 HB2 LEU A 104 12.683 -2.675 -0.108 1.00 0.43 H new ATOM 0 HB3 LEU A 104 12.189 -2.912 -1.773 1.00 0.43 H new ATOM 0 HG LEU A 104 10.030 -3.823 -1.020 1.00 0.70 H new ATOM 0 HD11 LEU A 104 9.347 -3.632 1.334 1.00 1.22 H new ATOM 0 HD12 LEU A 104 10.696 -4.773 1.121 1.00 1.22 H new ATOM 0 HD13 LEU A 104 11.002 -3.144 1.769 1.00 1.22 H new ATOM 0 HD21 LEU A 104 9.102 -1.697 -0.145 1.00 1.30 H new ATOM 0 HD22 LEU A 104 10.753 -1.134 0.207 1.00 1.30 H new ATOM 0 HD23 LEU A 104 10.250 -1.419 -1.476 1.00 1.30 H new ATOM 1516 N ALA A 105 15.048 -5.024 -1.196 1.00 0.55 N ATOM 1517 CA ALA A 105 16.252 -5.076 -2.009 1.00 0.63 C ATOM 1518 C ALA A 105 16.377 -6.413 -2.737 1.00 0.72 C ATOM 1519 O ALA A 105 17.300 -6.615 -3.527 1.00 1.08 O ATOM 1520 CB ALA A 105 17.479 -4.826 -1.143 1.00 0.73 C ATOM 0 H ALA A 105 15.207 -5.179 -0.200 1.00 0.55 H new ATOM 0 HA ALA A 105 16.183 -4.293 -2.764 1.00 0.63 H new ATOM 0 HB1 ALA A 105 18.375 -4.867 -1.762 1.00 0.73 H new ATOM 0 HB2 ALA A 105 17.403 -3.842 -0.679 1.00 0.73 H new ATOM 0 HB3 ALA A 105 17.538 -5.589 -0.367 1.00 0.73 H new ATOM 1526 N ASP A 106 15.443 -7.319 -2.475 1.00 0.69 N ATOM 1527 CA ASP A 106 15.485 -8.654 -3.069 1.00 0.81 C ATOM 1528 C ASP A 106 14.817 -8.695 -4.440 1.00 0.82 C ATOM 1529 O ASP A 106 15.025 -9.638 -5.203 1.00 1.27 O ATOM 1530 CB ASP A 106 14.823 -9.689 -2.153 1.00 1.07 C ATOM 1531 CG ASP A 106 15.609 -9.944 -0.885 1.00 1.45 C ATOM 1532 OD1 ASP A 106 16.667 -10.604 -0.957 1.00 2.04 O1- ATOM 1533 OD2 ASP A 106 15.183 -9.473 0.191 1.00 1.96 O ATOM 0 H ASP A 106 14.648 -7.157 -1.857 1.00 0.69 H new ATOM 0 HA ASP A 106 16.539 -8.902 -3.193 1.00 0.81 H new ATOM 0 HB2 ASP A 106 13.822 -9.347 -1.891 1.00 1.07 H new ATOM 0 HB3 ASP A 106 14.707 -10.626 -2.697 1.00 1.07 H new ATOM 1538 N GLY A 107 14.018 -7.684 -4.763 1.00 0.61 N ATOM 1539 CA GLY A 107 13.310 -7.699 -6.031 1.00 0.74 C ATOM 1540 C GLY A 107 12.437 -6.480 -6.240 1.00 0.60 C ATOM 1541 O GLY A 107 12.618 -5.453 -5.584 1.00 0.52 O ATOM 0 H GLY A 107 13.849 -6.865 -4.179 1.00 0.61 H new ATOM 0 HA2 GLY A 107 14.034 -7.763 -6.843 1.00 0.74 H new ATOM 0 HA3 GLY A 107 12.691 -8.595 -6.084 1.00 0.74 H new ATOM 1545 N ASP A 108 11.483 -6.597 -7.155 1.00 0.64 N ATOM 1546 CA ASP A 108 10.591 -5.496 -7.472 1.00 0.59 C ATOM 1547 C ASP A 108 9.303 -5.599 -6.670 1.00 0.43 C ATOM 1548 O ASP A 108 8.585 -6.598 -6.729 1.00 0.38 O ATOM 1549 CB ASP A 108 10.295 -5.439 -8.979 1.00 0.73 C ATOM 1550 CG ASP A 108 9.636 -6.692 -9.530 1.00 1.22 C ATOM 1551 OD1 ASP A 108 10.201 -7.797 -9.369 1.00 2.02 O1- ATOM 1552 OD2 ASP A 108 8.562 -6.573 -10.159 1.00 1.56 O ATOM 0 H ASP A 108 11.309 -7.447 -7.691 1.00 0.64 H new ATOM 0 HA ASP A 108 11.091 -4.568 -7.196 1.00 0.59 H new ATOM 0 HB2 ASP A 108 9.649 -4.584 -9.179 1.00 0.73 H new ATOM 0 HB3 ASP A 108 11.228 -5.266 -9.515 1.00 0.73 H new ATOM 1557 N TYR A 109 9.043 -4.570 -5.886 1.00 0.39 N ATOM 1558 CA TYR A 109 7.863 -4.527 -5.041 1.00 0.32 C ATOM 1559 C TYR A 109 6.840 -3.556 -5.605 1.00 0.30 C ATOM 1560 O TYR A 109 7.185 -2.636 -6.349 1.00 0.35 O ATOM 1561 CB TYR A 109 8.247 -4.147 -3.606 1.00 0.35 C ATOM 1562 CG TYR A 109 8.950 -5.262 -2.866 1.00 0.31 C ATOM 1563 CD1 TYR A 109 10.178 -5.739 -3.300 1.00 0.37 C ATOM 1564 CD2 TYR A 109 8.397 -5.823 -1.721 1.00 0.39 C ATOM 1565 CE1 TYR A 109 10.834 -6.743 -2.615 1.00 0.39 C ATOM 1566 CE2 TYR A 109 9.046 -6.826 -1.033 1.00 0.39 C ATOM 1567 CZ TYR A 109 10.217 -7.343 -1.529 1.00 0.34 C ATOM 1568 OH TYR A 109 10.916 -8.285 -0.801 1.00 0.40 O ATOM 0 H TYR A 109 9.639 -3.745 -5.816 1.00 0.39 H new ATOM 0 HA TYR A 109 7.412 -5.519 -5.021 1.00 0.32 H new ATOM 0 HB2 TYR A 109 8.894 -3.270 -3.629 1.00 0.35 H new ATOM 0 HB3 TYR A 109 7.348 -3.865 -3.058 1.00 0.35 H new ATOM 0 HD1 TYR A 109 10.628 -5.319 -4.187 1.00 0.37 H new ATOM 0 HD2 TYR A 109 7.442 -5.467 -1.364 1.00 0.39 H new ATOM 0 HE1 TYR A 109 11.820 -7.058 -2.923 1.00 0.39 H new ATOM 0 HE2 TYR A 109 8.635 -7.203 -0.108 1.00 0.39 H new ATOM 0 HH TYR A 109 11.861 -8.029 -0.757 1.00 0.40 H new ATOM 1578 N LYS A 110 5.581 -3.776 -5.271 1.00 0.28 N ATOM 1579 CA LYS A 110 4.511 -2.913 -5.741 1.00 0.29 C ATOM 1580 C LYS A 110 3.682 -2.416 -4.570 1.00 0.22 C ATOM 1581 O LYS A 110 3.735 -2.980 -3.477 1.00 0.25 O ATOM 1582 CB LYS A 110 3.592 -3.658 -6.713 1.00 0.39 C ATOM 1583 CG LYS A 110 4.320 -4.477 -7.767 1.00 0.62 C ATOM 1584 CD LYS A 110 3.343 -5.175 -8.703 1.00 0.67 C ATOM 1585 CE LYS A 110 2.479 -4.178 -9.459 1.00 1.21 C ATOM 1586 NZ LYS A 110 1.556 -4.846 -10.411 1.00 1.53 N1+ ATOM 0 H LYS A 110 5.274 -4.545 -4.676 1.00 0.28 H new ATOM 0 HA LYS A 110 4.970 -2.069 -6.256 1.00 0.29 H new ATOM 0 HB2 LYS A 110 2.941 -4.320 -6.142 1.00 0.39 H new ATOM 0 HB3 LYS A 110 2.950 -2.933 -7.214 1.00 0.39 H new ATOM 0 HG2 LYS A 110 4.978 -3.827 -8.344 1.00 0.62 H new ATOM 0 HG3 LYS A 110 4.953 -5.219 -7.280 1.00 0.62 H new ATOM 0 HD2 LYS A 110 3.896 -5.790 -9.413 1.00 0.67 H new ATOM 0 HD3 LYS A 110 2.705 -5.847 -8.128 1.00 0.67 H new ATOM 0 HE2 LYS A 110 1.901 -3.588 -8.748 1.00 1.21 H new ATOM 0 HE3 LYS A 110 3.119 -3.484 -10.003 1.00 1.21 H new ATOM 0 HZ1 LYS A 110 0.987 -4.129 -10.904 1.00 1.53 H new ATOM 0 HZ2 LYS A 110 2.107 -5.388 -11.106 1.00 1.53 H new ATOM 0 HZ3 LYS A 110 0.926 -5.490 -9.890 1.00 1.53 H new ATOM 1600 N PHE A 111 2.918 -1.366 -4.811 1.00 0.20 N ATOM 1601 CA PHE A 111 1.956 -0.885 -3.837 1.00 0.19 C ATOM 1602 C PHE A 111 0.596 -0.796 -4.504 1.00 0.17 C ATOM 1603 O PHE A 111 0.502 -0.448 -5.684 1.00 0.21 O ATOM 1604 CB PHE A 111 2.364 0.476 -3.246 1.00 0.22 C ATOM 1605 CG PHE A 111 2.216 1.648 -4.182 1.00 0.20 C ATOM 1606 CD1 PHE A 111 3.233 1.993 -5.054 1.00 0.19 C ATOM 1607 CD2 PHE A 111 1.056 2.412 -4.176 1.00 0.22 C ATOM 1608 CE1 PHE A 111 3.099 3.073 -5.904 1.00 0.20 C ATOM 1609 CE2 PHE A 111 0.919 3.495 -5.022 1.00 0.23 C ATOM 1610 CZ PHE A 111 1.941 3.826 -5.887 1.00 0.21 C ATOM 0 H PHE A 111 2.946 -0.828 -5.677 1.00 0.20 H new ATOM 0 HA PHE A 111 1.920 -1.586 -3.003 1.00 0.19 H new ATOM 0 HB2 PHE A 111 1.763 0.663 -2.356 1.00 0.22 H new ATOM 0 HB3 PHE A 111 3.403 0.418 -2.923 1.00 0.22 H new ATOM 0 HD1 PHE A 111 4.143 1.411 -5.070 1.00 0.19 H new ATOM 0 HD2 PHE A 111 0.252 2.156 -3.502 1.00 0.22 H new ATOM 0 HE1 PHE A 111 3.900 3.329 -6.582 1.00 0.20 H new ATOM 0 HE2 PHE A 111 0.013 4.082 -5.006 1.00 0.23 H new ATOM 0 HZ PHE A 111 1.836 4.672 -6.550 1.00 0.21 H new ATOM 1620 N ALA A 112 -0.451 -1.127 -3.771 1.00 0.14 N ATOM 1621 CA ALA A 112 -1.782 -1.147 -4.346 1.00 0.15 C ATOM 1622 C ALA A 112 -2.857 -1.133 -3.277 1.00 0.15 C ATOM 1623 O ALA A 112 -2.579 -1.334 -2.093 1.00 0.17 O ATOM 1624 CB ALA A 112 -1.950 -2.376 -5.225 1.00 0.19 C ATOM 0 H ALA A 112 -0.406 -1.384 -2.785 1.00 0.14 H new ATOM 0 HA ALA A 112 -1.895 -0.245 -4.947 1.00 0.15 H new ATOM 0 HB1 ALA A 112 -2.953 -2.383 -5.653 1.00 0.19 H new ATOM 0 HB2 ALA A 112 -1.213 -2.353 -6.028 1.00 0.19 H new ATOM 0 HB3 ALA A 112 -1.805 -3.275 -4.625 1.00 0.19 H new ATOM 1630 N CYS A 113 -4.078 -0.888 -3.719 1.00 0.15 N ATOM 1631 CA CYS A 113 -5.252 -0.962 -2.869 1.00 0.14 C ATOM 1632 C CYS A 113 -5.936 -2.307 -3.121 1.00 0.14 C ATOM 1633 O CYS A 113 -6.332 -2.601 -4.250 1.00 0.16 O ATOM 1634 CB CYS A 113 -6.195 0.205 -3.200 1.00 0.14 C ATOM 1635 SG CYS A 113 -7.545 0.464 -2.026 1.00 0.13 S ATOM 0 H CYS A 113 -4.283 -0.630 -4.684 1.00 0.15 H new ATOM 0 HA CYS A 113 -4.978 -0.887 -1.817 1.00 0.14 H new ATOM 0 HB2 CYS A 113 -5.606 1.121 -3.259 1.00 0.14 H new ATOM 0 HB3 CYS A 113 -6.622 0.036 -4.188 1.00 0.14 H new ATOM 1640 N THR A 114 -6.049 -3.134 -2.087 1.00 0.15 N ATOM 1641 CA THR A 114 -6.545 -4.499 -2.261 1.00 0.17 C ATOM 1642 C THR A 114 -8.069 -4.571 -2.194 1.00 0.16 C ATOM 1643 O THR A 114 -8.651 -5.659 -2.226 1.00 0.21 O ATOM 1644 CB THR A 114 -5.941 -5.464 -1.218 1.00 0.21 C ATOM 1645 OG1 THR A 114 -6.188 -4.984 0.111 1.00 0.22 O ATOM 1646 CG2 THR A 114 -4.442 -5.625 -1.433 1.00 0.24 C ATOM 0 H THR A 114 -5.807 -2.888 -1.127 1.00 0.15 H new ATOM 0 HA THR A 114 -6.227 -4.809 -3.256 1.00 0.17 H new ATOM 0 HB THR A 114 -6.420 -6.435 -1.343 1.00 0.21 H new ATOM 0 HG1 THR A 114 -6.348 -5.744 0.709 1.00 0.22 H new ATOM 0 HG21 THR A 114 -4.039 -6.309 -0.686 1.00 0.24 H new ATOM 0 HG22 THR A 114 -4.258 -6.026 -2.430 1.00 0.24 H new ATOM 0 HG23 THR A 114 -3.954 -4.655 -1.337 1.00 0.24 H new ATOM 1654 N PHE A 115 -8.710 -3.412 -2.114 1.00 0.14 N ATOM 1655 CA PHE A 115 -10.164 -3.339 -2.112 1.00 0.17 C ATOM 1656 C PHE A 115 -10.692 -3.851 -3.456 1.00 0.22 C ATOM 1657 O PHE A 115 -10.254 -3.392 -4.507 1.00 0.23 O ATOM 1658 CB PHE A 115 -10.604 -1.889 -1.864 1.00 0.15 C ATOM 1659 CG PHE A 115 -12.061 -1.726 -1.520 1.00 0.17 C ATOM 1660 CD1 PHE A 115 -13.016 -1.597 -2.513 1.00 0.23 C ATOM 1661 CD2 PHE A 115 -12.467 -1.688 -0.197 1.00 0.17 C ATOM 1662 CE1 PHE A 115 -14.350 -1.436 -2.194 1.00 0.26 C ATOM 1663 CE2 PHE A 115 -13.800 -1.525 0.129 1.00 0.20 C ATOM 1664 CZ PHE A 115 -14.743 -1.400 -0.871 1.00 0.24 C ATOM 0 H PHE A 115 -8.243 -2.507 -2.049 1.00 0.14 H new ATOM 0 HA PHE A 115 -10.572 -3.961 -1.315 1.00 0.17 H new ATOM 0 HB2 PHE A 115 -10.004 -1.475 -1.053 1.00 0.15 H new ATOM 0 HB3 PHE A 115 -10.386 -1.300 -2.755 1.00 0.15 H new ATOM 0 HD1 PHE A 115 -12.715 -1.623 -3.550 1.00 0.23 H new ATOM 0 HD2 PHE A 115 -11.733 -1.787 0.589 1.00 0.17 H new ATOM 0 HE1 PHE A 115 -15.085 -1.338 -2.979 1.00 0.26 H new ATOM 0 HE2 PHE A 115 -14.103 -1.495 1.165 1.00 0.20 H new ATOM 0 HZ PHE A 115 -15.786 -1.274 -0.619 1.00 0.24 H new ATOM 1674 N PRO A 116 -11.607 -4.839 -3.442 1.00 0.30 N ATOM 1675 CA PRO A 116 -12.150 -5.439 -4.668 1.00 0.37 C ATOM 1676 C PRO A 116 -12.726 -4.399 -5.621 1.00 0.31 C ATOM 1677 O PRO A 116 -13.711 -3.727 -5.307 1.00 0.30 O ATOM 1678 CB PRO A 116 -13.258 -6.365 -4.160 1.00 0.46 C ATOM 1679 CG PRO A 116 -12.868 -6.684 -2.761 1.00 0.49 C ATOM 1680 CD PRO A 116 -12.179 -5.454 -2.234 1.00 0.37 C ATOM 0 HA PRO A 116 -11.377 -5.952 -5.239 1.00 0.37 H new ATOM 0 HB2 PRO A 116 -14.232 -5.876 -4.199 1.00 0.46 H new ATOM 0 HB3 PRO A 116 -13.330 -7.267 -4.767 1.00 0.46 H new ATOM 0 HG2 PRO A 116 -13.742 -6.930 -2.158 1.00 0.49 H new ATOM 0 HG3 PRO A 116 -12.204 -7.548 -2.728 1.00 0.49 H new ATOM 0 HD2 PRO A 116 -12.879 -4.784 -1.735 1.00 0.37 H new ATOM 0 HD3 PRO A 116 -11.407 -5.706 -1.507 1.00 0.37 H new ATOM 1688 N GLY A 117 -12.104 -4.273 -6.782 1.00 0.34 N ATOM 1689 CA GLY A 117 -12.534 -3.291 -7.753 1.00 0.33 C ATOM 1690 C GLY A 117 -11.619 -2.084 -7.776 1.00 0.33 C ATOM 1691 O GLY A 117 -11.792 -1.180 -8.593 1.00 0.50 O ATOM 0 H GLY A 117 -11.304 -4.837 -7.070 1.00 0.34 H new ATOM 0 HA2 GLY A 117 -12.560 -3.746 -8.743 1.00 0.33 H new ATOM 0 HA3 GLY A 117 -13.550 -2.972 -7.522 1.00 0.33 H new ATOM 1695 N HIS A 118 -10.647 -2.067 -6.876 1.00 0.24 N ATOM 1696 CA HIS A 118 -9.729 -0.941 -6.757 1.00 0.23 C ATOM 1697 C HIS A 118 -8.332 -1.285 -7.269 1.00 0.29 C ATOM 1698 O HIS A 118 -7.623 -0.418 -7.785 1.00 0.38 O ATOM 1699 CB HIS A 118 -9.645 -0.471 -5.300 1.00 0.20 C ATOM 1700 CG HIS A 118 -10.827 0.336 -4.849 1.00 0.16 C ATOM 1701 ND1 HIS A 118 -10.697 1.326 -3.902 1.00 0.18 N ATOM 1702 CD2 HIS A 118 -12.124 0.263 -5.236 1.00 0.19 C ATOM 1703 CE1 HIS A 118 -11.909 1.825 -3.733 1.00 0.20 C ATOM 1704 NE2 HIS A 118 -12.807 1.212 -4.523 1.00 0.18 N ATOM 0 H HIS A 118 -10.472 -2.823 -6.214 1.00 0.24 H new ATOM 0 HA HIS A 118 -10.124 -0.137 -7.378 1.00 0.23 H new ATOM 0 HB2 HIS A 118 -9.545 -1.343 -4.653 1.00 0.20 H new ATOM 0 HB3 HIS A 118 -8.741 0.125 -5.173 1.00 0.20 H new ATOM 0 HD2 HIS A 118 -12.540 -0.414 -5.967 1.00 0.19 H new ATOM 0 HE1 HIS A 118 -12.148 2.624 -3.047 1.00 0.20 H new ATOM 0 HE2 HIS A 118 -13.805 1.415 -4.580 1.00 0.18 H new ATOM 1712 N GLY A 119 -7.950 -2.552 -7.155 1.00 0.33 N ATOM 1713 CA GLY A 119 -6.595 -2.964 -7.486 1.00 0.42 C ATOM 1714 C GLY A 119 -6.256 -2.851 -8.962 1.00 0.49 C ATOM 1715 O GLY A 119 -5.079 -2.859 -9.331 1.00 0.61 O ATOM 0 H GLY A 119 -8.558 -3.307 -6.837 1.00 0.33 H new ATOM 0 HA2 GLY A 119 -5.892 -2.357 -6.915 1.00 0.42 H new ATOM 0 HA3 GLY A 119 -6.453 -3.997 -7.170 1.00 0.42 H new ATOM 1719 N ALA A 120 -7.272 -2.734 -9.811 1.00 0.53 N ATOM 1720 CA ALA A 120 -7.055 -2.668 -11.250 1.00 0.67 C ATOM 1721 C ALA A 120 -6.487 -1.316 -11.665 1.00 0.64 C ATOM 1722 O ALA A 120 -5.695 -1.228 -12.603 1.00 0.75 O ATOM 1723 CB ALA A 120 -8.346 -2.952 -11.998 1.00 0.83 C ATOM 0 H ALA A 120 -8.251 -2.683 -9.528 1.00 0.53 H new ATOM 0 HA ALA A 120 -6.323 -3.433 -11.511 1.00 0.67 H new ATOM 0 HB1 ALA A 120 -8.164 -2.898 -13.071 1.00 0.83 H new ATOM 0 HB2 ALA A 120 -8.704 -3.949 -11.740 1.00 0.83 H new ATOM 0 HB3 ALA A 120 -9.098 -2.213 -11.720 1.00 0.83 H new ATOM 1729 N LEU A 121 -6.887 -0.266 -10.966 1.00 0.56 N ATOM 1730 CA LEU A 121 -6.395 1.072 -11.265 1.00 0.64 C ATOM 1731 C LEU A 121 -5.423 1.544 -10.189 1.00 0.51 C ATOM 1732 O LEU A 121 -4.376 2.123 -10.489 1.00 0.69 O ATOM 1733 CB LEU A 121 -7.566 2.054 -11.386 1.00 0.82 C ATOM 1734 CG LEU A 121 -7.173 3.504 -11.683 1.00 1.38 C ATOM 1735 CD1 LEU A 121 -6.467 3.610 -13.026 1.00 2.13 C ATOM 1736 CD2 LEU A 121 -8.399 4.402 -11.651 1.00 1.76 C ATOM 0 H LEU A 121 -7.548 -0.312 -10.191 1.00 0.56 H new ATOM 0 HA LEU A 121 -5.864 1.036 -12.216 1.00 0.64 H new ATOM 0 HB2 LEU A 121 -8.231 1.706 -12.176 1.00 0.82 H new ATOM 0 HB3 LEU A 121 -8.135 2.032 -10.457 1.00 0.82 H new ATOM 0 HG LEU A 121 -6.480 3.835 -10.910 1.00 1.38 H new ATOM 0 HD11 LEU A 121 -6.198 4.649 -13.215 1.00 2.13 H new ATOM 0 HD12 LEU A 121 -5.565 2.998 -13.012 1.00 2.13 H new ATOM 0 HD13 LEU A 121 -7.132 3.258 -13.815 1.00 2.13 H new ATOM 0 HD21 LEU A 121 -8.103 5.429 -11.864 1.00 1.76 H new ATOM 0 HD22 LEU A 121 -9.115 4.067 -12.402 1.00 1.76 H new ATOM 0 HD23 LEU A 121 -8.859 4.354 -10.664 1.00 1.76 H new ATOM 1748 N MET A 122 -5.763 1.274 -8.938 1.00 0.34 N ATOM 1749 CA MET A 122 -4.951 1.700 -7.807 1.00 0.22 C ATOM 1750 C MET A 122 -3.796 0.740 -7.569 1.00 0.17 C ATOM 1751 O MET A 122 -3.819 -0.063 -6.635 1.00 0.21 O ATOM 1752 CB MET A 122 -5.817 1.814 -6.551 1.00 0.27 C ATOM 1753 CG MET A 122 -6.443 3.183 -6.362 1.00 0.65 C ATOM 1754 SD MET A 122 -7.972 3.124 -5.413 1.00 0.24 S ATOM 1755 CE MET A 122 -9.082 2.479 -6.654 1.00 0.54 C ATOM 0 H MET A 122 -6.603 0.757 -8.678 1.00 0.34 H new ATOM 0 HA MET A 122 -4.531 2.679 -8.038 1.00 0.22 H new ATOM 0 HB2 MET A 122 -6.608 1.066 -6.597 1.00 0.27 H new ATOM 0 HB3 MET A 122 -5.208 1.580 -5.678 1.00 0.27 H new ATOM 0 HG2 MET A 122 -5.732 3.836 -5.857 1.00 0.65 H new ATOM 0 HG3 MET A 122 -6.643 3.624 -7.338 1.00 0.65 H new ATOM 0 HE1 MET A 122 -10.103 2.495 -6.273 1.00 0.54 H new ATOM 0 HE2 MET A 122 -9.020 3.093 -7.552 1.00 0.54 H new ATOM 0 HE3 MET A 122 -8.801 1.454 -6.896 1.00 0.54 H new ATOM 1765 N ASN A 123 -2.792 0.825 -8.428 1.00 0.20 N ATOM 1766 CA ASN A 123 -1.594 0.011 -8.298 1.00 0.25 C ATOM 1767 C ASN A 123 -0.395 0.741 -8.886 1.00 0.22 C ATOM 1768 O ASN A 123 -0.517 1.449 -9.890 1.00 0.34 O ATOM 1769 CB ASN A 123 -1.762 -1.349 -8.993 1.00 0.44 C ATOM 1770 CG ASN A 123 -2.021 -1.228 -10.484 1.00 0.54 C ATOM 1771 OD1 ASN A 123 -1.092 -1.153 -11.288 1.00 1.13 O ATOM 1772 ND2 ASN A 123 -3.285 -1.235 -10.866 1.00 0.58 N ATOM 0 H ASN A 123 -2.784 1.456 -9.230 1.00 0.20 H new ATOM 0 HA ASN A 123 -1.428 -0.166 -7.235 1.00 0.25 H new ATOM 0 HB2 ASN A 123 -0.864 -1.945 -8.834 1.00 0.44 H new ATOM 0 HB3 ASN A 123 -2.588 -1.888 -8.529 1.00 0.44 H new ATOM 0 HD21 ASN A 123 -3.519 -1.177 -11.857 1.00 0.58 H new ATOM 0 HD22 ASN A 123 -4.028 -1.298 -10.170 1.00 0.58 H new ATOM 1779 N GLY A 124 0.751 0.573 -8.252 1.00 0.19 N ATOM 1780 CA GLY A 124 1.969 1.188 -8.733 1.00 0.21 C ATOM 1781 C GLY A 124 3.197 0.437 -8.265 1.00 0.23 C ATOM 1782 O GLY A 124 3.079 -0.601 -7.612 1.00 0.31 O ATOM 0 H GLY A 124 0.861 0.016 -7.404 1.00 0.19 H new ATOM 0 HA2 GLY A 124 1.955 1.220 -9.822 1.00 0.21 H new ATOM 0 HA3 GLY A 124 2.018 2.220 -8.384 1.00 0.21 H new ATOM 1786 N LYS A 125 4.373 0.956 -8.578 1.00 0.24 N ATOM 1787 CA LYS A 125 5.616 0.273 -8.252 1.00 0.28 C ATOM 1788 C LYS A 125 6.337 0.932 -7.086 1.00 0.25 C ATOM 1789 O LYS A 125 6.370 2.158 -6.966 1.00 0.26 O ATOM 1790 CB LYS A 125 6.539 0.230 -9.472 1.00 0.40 C ATOM 1791 CG LYS A 125 6.043 -0.687 -10.581 1.00 1.21 C ATOM 1792 CD LYS A 125 6.045 -2.145 -10.146 1.00 1.31 C ATOM 1793 CE LYS A 125 7.458 -2.702 -10.025 1.00 1.41 C ATOM 1794 NZ LYS A 125 8.091 -2.910 -11.357 1.00 1.48 N1+ ATOM 0 H LYS A 125 4.494 1.848 -9.058 1.00 0.24 H new ATOM 0 HA LYS A 125 5.357 -0.744 -7.956 1.00 0.28 H new ATOM 0 HB2 LYS A 125 6.649 1.239 -9.869 1.00 0.40 H new ATOM 0 HB3 LYS A 125 7.529 -0.099 -9.156 1.00 0.40 H new ATOM 0 HG2 LYS A 125 5.034 -0.395 -10.871 1.00 1.21 H new ATOM 0 HG3 LYS A 125 6.675 -0.569 -11.461 1.00 1.21 H new ATOM 0 HD2 LYS A 125 5.535 -2.238 -9.187 1.00 1.31 H new ATOM 0 HD3 LYS A 125 5.481 -2.739 -10.866 1.00 1.31 H new ATOM 0 HE2 LYS A 125 8.069 -2.017 -9.436 1.00 1.41 H new ATOM 0 HE3 LYS A 125 7.430 -3.648 -9.485 1.00 1.41 H new ATOM 0 HZ1 LYS A 125 8.993 -3.414 -11.238 1.00 1.48 H new ATOM 0 HZ2 LYS A 125 7.457 -3.473 -11.959 1.00 1.48 H new ATOM 0 HZ3 LYS A 125 8.266 -1.988 -11.806 1.00 1.48 H new ATOM 1808 N VAL A 126 6.909 0.100 -6.229 1.00 0.25 N ATOM 1809 CA VAL A 126 7.745 0.562 -5.139 1.00 0.25 C ATOM 1810 C VAL A 126 9.190 0.219 -5.455 1.00 0.30 C ATOM 1811 O VAL A 126 9.567 -0.952 -5.497 1.00 0.45 O ATOM 1812 CB VAL A 126 7.348 -0.078 -3.792 1.00 0.42 C ATOM 1813 CG1 VAL A 126 8.270 0.395 -2.681 1.00 1.10 C ATOM 1814 CG2 VAL A 126 5.905 0.240 -3.449 1.00 1.11 C ATOM 0 H VAL A 126 6.805 -0.914 -6.272 1.00 0.25 H new ATOM 0 HA VAL A 126 7.613 1.640 -5.041 1.00 0.25 H new ATOM 0 HB VAL A 126 7.449 -1.159 -3.890 1.00 0.42 H new ATOM 0 HG11 VAL A 126 7.973 -0.068 -1.740 1.00 1.10 H new ATOM 0 HG12 VAL A 126 9.297 0.114 -2.916 1.00 1.10 H new ATOM 0 HG13 VAL A 126 8.203 1.479 -2.589 1.00 1.10 H new ATOM 0 HG21 VAL A 126 5.647 -0.221 -2.496 1.00 1.11 H new ATOM 0 HG22 VAL A 126 5.778 1.320 -3.375 1.00 1.11 H new ATOM 0 HG23 VAL A 126 5.251 -0.150 -4.229 1.00 1.11 H new ATOM 1824 N THR A 127 9.988 1.237 -5.700 1.00 0.35 N ATOM 1825 CA THR A 127 11.352 1.039 -6.140 1.00 0.54 C ATOM 1826 C THR A 127 12.324 1.177 -4.977 1.00 0.45 C ATOM 1827 O THR A 127 12.329 2.188 -4.278 1.00 0.37 O ATOM 1828 CB THR A 127 11.718 2.049 -7.238 1.00 0.76 C ATOM 1829 OG1 THR A 127 10.697 2.050 -8.246 1.00 0.86 O ATOM 1830 CG2 THR A 127 13.059 1.707 -7.869 1.00 0.97 C ATOM 0 H THR A 127 9.713 2.214 -5.601 1.00 0.35 H new ATOM 0 HA THR A 127 11.427 0.029 -6.543 1.00 0.54 H new ATOM 0 HB THR A 127 11.795 3.038 -6.786 1.00 0.76 H new ATOM 0 HG1 THR A 127 10.929 2.695 -8.946 1.00 0.86 H new ATOM 0 HG21 THR A 127 13.294 2.438 -8.643 1.00 0.97 H new ATOM 0 HG22 THR A 127 13.836 1.725 -7.105 1.00 0.97 H new ATOM 0 HG23 THR A 127 13.009 0.712 -8.312 1.00 0.97 H new ATOM 1838 N LEU A 128 13.131 0.152 -4.771 1.00 0.52 N ATOM 1839 CA LEU A 128 14.128 0.165 -3.716 1.00 0.49 C ATOM 1840 C LEU A 128 15.391 0.851 -4.228 1.00 0.50 C ATOM 1841 O LEU A 128 16.111 0.305 -5.064 1.00 0.59 O ATOM 1842 CB LEU A 128 14.416 -1.275 -3.266 1.00 0.59 C ATOM 1843 CG LEU A 128 14.978 -1.450 -1.849 1.00 0.73 C ATOM 1844 CD1 LEU A 128 16.453 -1.108 -1.785 1.00 0.78 C ATOM 1845 CD2 LEU A 128 14.205 -0.598 -0.857 1.00 1.44 C ATOM 0 H LEU A 128 13.115 -0.705 -5.324 1.00 0.52 H new ATOM 0 HA LEU A 128 13.760 0.722 -2.854 1.00 0.49 H new ATOM 0 HB2 LEU A 128 13.491 -1.847 -3.339 1.00 0.59 H new ATOM 0 HB3 LEU A 128 15.121 -1.718 -3.970 1.00 0.59 H new ATOM 0 HG LEU A 128 14.863 -2.501 -1.583 1.00 0.73 H new ATOM 0 HD11 LEU A 128 16.814 -1.244 -0.766 1.00 0.78 H new ATOM 0 HD12 LEU A 128 17.008 -1.763 -2.457 1.00 0.78 H new ATOM 0 HD13 LEU A 128 16.599 -0.071 -2.086 1.00 0.78 H new ATOM 0 HD21 LEU A 128 14.619 -0.736 0.142 1.00 1.44 H new ATOM 0 HD22 LEU A 128 14.284 0.452 -1.140 1.00 1.44 H new ATOM 0 HD23 LEU A 128 13.157 -0.897 -0.860 1.00 1.44 H new ATOM 1857 N VAL A 129 15.643 2.054 -3.739 1.00 0.46 N ATOM 1858 CA VAL A 129 16.762 2.850 -4.214 1.00 0.51 C ATOM 1859 C VAL A 129 17.856 2.926 -3.158 1.00 0.50 C ATOM 1860 O VAL A 129 17.673 2.460 -2.032 1.00 0.50 O ATOM 1861 CB VAL A 129 16.329 4.283 -4.615 1.00 0.54 C ATOM 1862 CG1 VAL A 129 15.246 4.243 -5.684 1.00 0.60 C ATOM 1863 CG2 VAL A 129 15.849 5.073 -3.406 1.00 0.50 C ATOM 0 H VAL A 129 15.086 2.502 -3.011 1.00 0.46 H new ATOM 0 HA VAL A 129 17.148 2.352 -5.103 1.00 0.51 H new ATOM 0 HB VAL A 129 17.203 4.788 -5.025 1.00 0.54 H new ATOM 0 HG11 VAL A 129 14.959 5.260 -5.949 1.00 0.60 H new ATOM 0 HG12 VAL A 129 15.626 3.731 -6.568 1.00 0.60 H new ATOM 0 HG13 VAL A 129 14.377 3.708 -5.301 1.00 0.60 H new ATOM 0 HG21 VAL A 129 15.552 6.074 -3.720 1.00 0.50 H new ATOM 0 HG22 VAL A 129 14.996 4.566 -2.956 1.00 0.50 H new ATOM 0 HG23 VAL A 129 16.655 5.146 -2.676 1.00 0.50 H new ATOM 1873 N ASP A 130 18.988 3.507 -3.525 1.00 0.55 N ATOM 1874 CA ASP A 130 20.115 3.647 -2.605 1.00 0.62 C ATOM 1875 C ASP A 130 19.815 4.676 -1.520 1.00 1.17 C ATOM 1876 O ASP A 130 19.195 4.361 -0.497 1.00 2.01 O ATOM 1877 CB ASP A 130 21.389 4.045 -3.361 1.00 0.98 C ATOM 1878 CG ASP A 130 21.974 2.906 -4.174 1.00 1.49 C ATOM 1879 OD1 ASP A 130 21.442 2.616 -5.267 1.00 1.87 O1- ATOM 1880 OD2 ASP A 130 22.961 2.282 -3.719 1.00 2.25 O ATOM 0 H ASP A 130 19.154 3.891 -4.455 1.00 0.55 H new ATOM 0 HA ASP A 130 20.274 2.679 -2.130 1.00 0.62 H new ATOM 0 HB2 ASP A 130 21.166 4.881 -4.024 1.00 0.98 H new ATOM 0 HB3 ASP A 130 22.134 4.395 -2.647 1.00 0.98 H new TER 1885 ASP A 130 HETATM 1886 CU CU1 A 201 -9.056 1.822 -2.757 1.00 0.14 CU