USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=37 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 110 LYS NZ :NH3+ 151:sc= 0.717 (180deg=0) USER MOD Set 1.2: A 123 ASN : amide:sc= 0.938 K(o=1.7,f=-0.42) USER MOD Set 2.1: A 33 THR OG1 : rot -77:sc= 1.2 USER MOD Set 2.2: A 98 THR OG1 : rot 180:sc= 1.01 USER MOD Set 3.1: A 50 ASN : amide:sc= 1.12 K(o=3.3,f=1.1) USER MOD Set 3.2: A 86 THR OG1 : rot 14:sc= 2.18 USER MOD Set 4.1: A 35 THR OG1 : rot 180:sc= 0.936 USER MOD Set 4.2: A 96 SER OG : rot -118:sc= 0.756 USER MOD Set 5.1: A 16 MET CE :methyl 158:sc= -0.225 (180deg=-1.04) USER MOD Set 5.2: A 122 MET CE :methyl -175:sc= -2.02 (180deg=-2.2) USER MOD Set 6.1: A 6 CYS SG : rot -33:sc= 0.903 USER MOD Set 6.2: A 29 CYS SG : rot 177:sc= 0.843 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -1.93 X(o=-1.9,f=-1.9!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= -0.243 USER MOD Single : A 13 ASN :FLIP amide:sc= -0.259 F(o=-4.8!,f=-0.26) USER MOD Single : A 15 ASN : amide:sc= -0.32 K(o=-0.32,f=-2.9!) USER MOD Single : A 17 GLN : amide:sc= -0.062 K(o=-0.062,f=-1.4!) USER MOD Single : A 19 ASN : amide:sc= 0.751 K(o=0.75,f=-6.5!) USER MOD Single : A 20 THR OG1 : rot -128:sc= 0.373 USER MOD Single : A 21 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.035) USER MOD Single : A 24 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 26 SER OG : rot 70:sc= -0.332 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -163:sc= -0.0569 (180deg=-0.324) USER MOD Single : A 37 LYS NZ :NH3+ 166:sc= -0.0191 (180deg=-0.193) USER MOD Single : A 38 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-3.6!) USER MOD Single : A 39 THR OG1 : rot 38:sc= 0.161 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.212 X(o=-0.21,f=-0.49) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl 137:sc= -0.35 (180deg=-0.623) USER MOD Single : A 55 LYS NZ :NH3+ 156:sc= 0.857 (180deg=0.458) USER MOD Single : A 59 MET CE :methyl -139:sc= -0.153 (180deg=-1.18) USER MOD Single : A 64 LYS NZ :NH3+ -165:sc= -0.0302 (180deg=-0.286) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 147:sc= 1.14 (180deg=0.878) USER MOD Single : A 85 HIS : no HE2:sc= 0.939 K(o=0.94,f=-3!) USER MOD Single : A 87 LYS NZ :NH3+ 161:sc= 1.13 (180deg=0.93) USER MOD Single : A 95 SER OG : rot 118:sc= 0.843 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 TYR OH : rot 102:sc= -0.648! USER MOD Single : A 114 THR OG1 : rot 142:sc= 0.0616 USER MOD Single : A 125 LYS NZ :NH3+ -159:sc= 1.29 (180deg=1.22) USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 15.632 13.013 -1.068 1.00 2.91 N ATOM 2 CA ALA A 1 15.012 11.719 -0.711 1.00 2.57 C ATOM 3 C ALA A 1 16.029 10.783 -0.063 1.00 1.99 C ATOM 4 O ALA A 1 15.828 10.317 1.062 1.00 2.38 O ATOM 5 CB ALA A 1 14.410 11.064 -1.946 1.00 3.08 C ATOM 0 H1 ALA A 1 14.919 13.630 -1.507 1.00 2.91 H new ATOM 0 H2 ALA A 1 16.004 13.468 -0.210 1.00 2.91 H new ATOM 0 H3 ALA A 1 16.410 12.852 -1.739 1.00 2.91 H new ATOM 0 HA ALA A 1 14.219 11.913 0.011 1.00 2.57 H new ATOM 0 HB1 ALA A 1 13.957 10.112 -1.669 1.00 3.08 H new ATOM 0 HB2 ALA A 1 13.649 11.718 -2.370 1.00 3.08 H new ATOM 0 HB3 ALA A 1 15.193 10.892 -2.685 1.00 3.08 H new ATOM 13 N THR A 2 17.123 10.524 -0.773 1.00 1.76 N ATOM 14 CA THR A 2 18.148 9.590 -0.323 1.00 1.96 C ATOM 15 C THR A 2 18.737 10.003 1.027 1.00 1.89 C ATOM 16 O THR A 2 19.311 11.086 1.158 1.00 2.41 O ATOM 17 CB THR A 2 19.278 9.495 -1.366 1.00 2.75 C ATOM 18 OG1 THR A 2 18.713 9.299 -2.671 1.00 3.16 O ATOM 19 CG2 THR A 2 20.224 8.345 -1.042 1.00 3.52 C ATOM 0 H THR A 2 17.323 10.955 -1.675 1.00 1.76 H new ATOM 0 HA THR A 2 17.672 8.617 -0.205 1.00 1.96 H new ATOM 0 HB THR A 2 19.846 10.425 -1.344 1.00 2.75 H new ATOM 0 HG1 THR A 2 19.433 9.240 -3.334 1.00 3.16 H new ATOM 0 HG21 THR A 2 21.012 8.300 -1.793 1.00 3.52 H new ATOM 0 HG22 THR A 2 20.668 8.505 -0.059 1.00 3.52 H new ATOM 0 HG23 THR A 2 19.669 7.407 -1.041 1.00 3.52 H new ATOM 27 N ALA A 3 18.564 9.135 2.027 1.00 1.90 N ATOM 28 CA ALA A 3 19.089 9.364 3.377 1.00 2.01 C ATOM 29 C ALA A 3 18.487 10.619 4.012 1.00 1.85 C ATOM 30 O ALA A 3 19.040 11.170 4.965 1.00 2.22 O ATOM 31 CB ALA A 3 20.611 9.451 3.358 1.00 2.32 C ATOM 0 H ALA A 3 18.057 8.256 1.925 1.00 1.90 H new ATOM 0 HA ALA A 3 18.797 8.511 3.990 1.00 2.01 H new ATOM 0 HB1 ALA A 3 20.978 9.621 4.370 1.00 2.32 H new ATOM 0 HB2 ALA A 3 21.024 8.518 2.974 1.00 2.32 H new ATOM 0 HB3 ALA A 3 20.920 10.276 2.716 1.00 2.32 H new ATOM 37 N GLY A 4 17.354 11.059 3.485 1.00 1.52 N ATOM 38 CA GLY A 4 16.699 12.236 4.019 1.00 1.51 C ATOM 39 C GLY A 4 15.246 11.975 4.348 1.00 1.33 C ATOM 40 O GLY A 4 14.757 12.377 5.406 1.00 1.56 O ATOM 0 H GLY A 4 16.876 10.622 2.697 1.00 1.52 H new ATOM 0 HA2 GLY A 4 17.221 12.565 4.918 1.00 1.51 H new ATOM 0 HA3 GLY A 4 16.767 13.048 3.295 1.00 1.51 H new ATOM 44 N ASN A 5 14.558 11.292 3.444 1.00 1.15 N ATOM 45 CA ASN A 5 13.157 10.955 3.644 1.00 0.97 C ATOM 46 C ASN A 5 13.023 9.564 4.230 1.00 0.71 C ATOM 47 O ASN A 5 13.341 8.575 3.574 1.00 0.69 O ATOM 48 CB ASN A 5 12.376 11.021 2.324 1.00 1.07 C ATOM 49 CG ASN A 5 12.179 12.432 1.804 1.00 1.55 C ATOM 50 OD1 ASN A 5 12.158 12.657 0.595 1.00 2.21 O ATOM 51 ND2 ASN A 5 12.006 13.389 2.704 1.00 2.26 N ATOM 0 H ASN A 5 14.949 10.960 2.563 1.00 1.15 H new ATOM 0 HA ASN A 5 12.741 11.686 4.338 1.00 0.97 H new ATOM 0 HB2 ASN A 5 12.903 10.435 1.570 1.00 1.07 H new ATOM 0 HB3 ASN A 5 11.401 10.555 2.465 1.00 1.07 H new ATOM 0 HD21 ASN A 5 11.849 14.351 2.402 1.00 2.26 H new ATOM 0 HD22 ASN A 5 12.030 13.164 3.699 1.00 2.26 H new ATOM 58 N CYS A 6 12.568 9.492 5.469 1.00 0.62 N ATOM 59 CA CYS A 6 12.292 8.211 6.101 1.00 0.41 C ATOM 60 C CYS A 6 10.789 7.984 6.157 1.00 0.34 C ATOM 61 O CYS A 6 10.306 7.050 6.796 1.00 0.34 O ATOM 62 CB CYS A 6 12.893 8.162 7.508 1.00 0.49 C ATOM 63 SG CYS A 6 14.703 8.370 7.550 1.00 0.59 S ATOM 0 H CYS A 6 12.382 10.304 6.058 1.00 0.62 H new ATOM 0 HA CYS A 6 12.752 7.419 5.510 1.00 0.41 H new ATOM 0 HB2 CYS A 6 12.434 8.942 8.115 1.00 0.49 H new ATOM 0 HB3 CYS A 6 12.637 7.208 7.968 1.00 0.49 H new ATOM 0 HG CYS A 6 15.226 7.839 6.485 1.00 0.59 H new ATOM 68 N ALA A 7 10.058 8.845 5.467 1.00 0.32 N ATOM 69 CA ALA A 7 8.611 8.773 5.433 1.00 0.27 C ATOM 70 C ALA A 7 8.087 9.278 4.097 1.00 0.25 C ATOM 71 O ALA A 7 8.791 9.985 3.373 1.00 0.31 O ATOM 72 CB ALA A 7 8.012 9.581 6.577 1.00 0.31 C ATOM 0 H ALA A 7 10.451 9.609 4.918 1.00 0.32 H new ATOM 0 HA ALA A 7 8.313 7.731 5.551 1.00 0.27 H new ATOM 0 HB1 ALA A 7 6.925 9.517 6.537 1.00 0.31 H new ATOM 0 HB2 ALA A 7 8.365 9.182 7.528 1.00 0.31 H new ATOM 0 HB3 ALA A 7 8.317 10.623 6.485 1.00 0.31 H new ATOM 78 N ALA A 8 6.866 8.898 3.770 1.00 0.22 N ATOM 79 CA ALA A 8 6.208 9.369 2.564 1.00 0.22 C ATOM 80 C ALA A 8 4.713 9.491 2.803 1.00 0.19 C ATOM 81 O ALA A 8 4.119 8.663 3.492 1.00 0.20 O ATOM 82 CB ALA A 8 6.487 8.427 1.403 1.00 0.27 C ATOM 0 H ALA A 8 6.304 8.257 4.330 1.00 0.22 H new ATOM 0 HA ALA A 8 6.604 10.352 2.309 1.00 0.22 H new ATOM 0 HB1 ALA A 8 5.986 8.795 0.507 1.00 0.27 H new ATOM 0 HB2 ALA A 8 7.561 8.378 1.224 1.00 0.27 H new ATOM 0 HB3 ALA A 8 6.114 7.432 1.644 1.00 0.27 H new ATOM 88 N THR A 9 4.107 10.527 2.250 1.00 0.23 N ATOM 89 CA THR A 9 2.683 10.745 2.411 1.00 0.23 C ATOM 90 C THR A 9 1.953 10.545 1.090 1.00 0.23 C ATOM 91 O THR A 9 2.222 11.234 0.107 1.00 0.29 O ATOM 92 CB THR A 9 2.396 12.159 2.949 1.00 0.29 C ATOM 93 OG1 THR A 9 3.150 12.380 4.147 1.00 0.84 O ATOM 94 CG2 THR A 9 0.914 12.343 3.242 1.00 0.70 C ATOM 0 H THR A 9 4.581 11.231 1.685 1.00 0.23 H new ATOM 0 HA THR A 9 2.320 10.014 3.134 1.00 0.23 H new ATOM 0 HB THR A 9 2.689 12.881 2.187 1.00 0.29 H new ATOM 0 HG1 THR A 9 2.967 13.281 4.487 1.00 0.84 H new ATOM 0 HG21 THR A 9 0.740 13.350 3.621 1.00 0.70 H new ATOM 0 HG22 THR A 9 0.341 12.196 2.327 1.00 0.70 H new ATOM 0 HG23 THR A 9 0.598 11.615 3.989 1.00 0.70 H new ATOM 102 N VAL A 10 1.042 9.589 1.076 1.00 0.21 N ATOM 103 CA VAL A 10 0.254 9.293 -0.108 1.00 0.22 C ATOM 104 C VAL A 10 -1.199 9.677 0.135 1.00 0.22 C ATOM 105 O VAL A 10 -1.726 9.469 1.227 1.00 0.26 O ATOM 106 CB VAL A 10 0.335 7.796 -0.476 1.00 0.29 C ATOM 107 CG1 VAL A 10 -0.485 7.492 -1.722 1.00 0.62 C ATOM 108 CG2 VAL A 10 1.781 7.371 -0.675 1.00 0.87 C ATOM 0 H VAL A 10 0.828 8.999 1.880 1.00 0.21 H new ATOM 0 HA VAL A 10 0.659 9.872 -0.938 1.00 0.22 H new ATOM 0 HB VAL A 10 -0.084 7.225 0.352 1.00 0.29 H new ATOM 0 HG11 VAL A 10 -0.409 6.430 -1.957 1.00 0.62 H new ATOM 0 HG12 VAL A 10 -1.529 7.750 -1.543 1.00 0.62 H new ATOM 0 HG13 VAL A 10 -0.105 8.077 -2.559 1.00 0.62 H new ATOM 0 HG21 VAL A 10 1.817 6.313 -0.934 1.00 0.87 H new ATOM 0 HG22 VAL A 10 2.225 7.957 -1.480 1.00 0.87 H new ATOM 0 HG23 VAL A 10 2.339 7.538 0.246 1.00 0.87 H new ATOM 118 N GLU A 11 -1.841 10.241 -0.872 1.00 0.23 N ATOM 119 CA GLU A 11 -3.220 10.671 -0.738 1.00 0.25 C ATOM 120 C GLU A 11 -4.131 9.853 -1.642 1.00 0.23 C ATOM 121 O GLU A 11 -3.818 9.619 -2.812 1.00 0.29 O ATOM 122 CB GLU A 11 -3.352 12.159 -1.067 1.00 0.29 C ATOM 123 CG GLU A 11 -2.508 13.061 -0.179 1.00 1.09 C ATOM 124 CD GLU A 11 -2.499 14.494 -0.658 1.00 1.31 C ATOM 125 OE1 GLU A 11 -1.747 14.810 -1.603 1.00 1.98 O ATOM 126 OE2 GLU A 11 -3.241 15.319 -0.085 1.00 1.14 O1- ATOM 0 H GLU A 11 -1.430 10.412 -1.790 1.00 0.23 H new ATOM 0 HA GLU A 11 -3.525 10.512 0.296 1.00 0.25 H new ATOM 0 HB2 GLU A 11 -3.067 12.318 -2.107 1.00 0.29 H new ATOM 0 HB3 GLU A 11 -4.398 12.450 -0.975 1.00 0.29 H new ATOM 0 HG2 GLU A 11 -2.891 13.024 0.841 1.00 1.09 H new ATOM 0 HG3 GLU A 11 -1.486 12.684 -0.150 1.00 1.09 H new ATOM 133 N SER A 12 -5.244 9.408 -1.084 1.00 0.22 N ATOM 134 CA SER A 12 -6.255 8.697 -1.843 1.00 0.21 C ATOM 135 C SER A 12 -7.564 9.474 -1.799 1.00 0.20 C ATOM 136 O SER A 12 -7.964 9.974 -0.750 1.00 0.23 O ATOM 137 CB SER A 12 -6.446 7.283 -1.284 1.00 0.29 C ATOM 138 OG SER A 12 -6.516 7.300 0.133 1.00 0.97 O ATOM 0 H SER A 12 -5.470 9.529 -0.097 1.00 0.22 H new ATOM 0 HA SER A 12 -5.930 8.609 -2.880 1.00 0.21 H new ATOM 0 HB2 SER A 12 -7.359 6.848 -1.691 1.00 0.29 H new ATOM 0 HB3 SER A 12 -5.620 6.648 -1.603 1.00 0.29 H new ATOM 0 HG SER A 12 -6.640 6.386 0.465 1.00 0.97 H new ATOM 144 N ASN A 13 -8.230 9.579 -2.933 1.00 0.19 N ATOM 145 CA ASN A 13 -9.444 10.382 -3.029 1.00 0.24 C ATOM 146 C ASN A 13 -10.654 9.517 -3.359 1.00 0.24 C ATOM 147 O ASN A 13 -10.512 8.334 -3.675 1.00 0.19 O ATOM 148 CB ASN A 13 -9.272 11.488 -4.086 1.00 0.32 C ATOM 149 CG ASN A 13 -8.738 10.985 -5.425 1.00 0.34 C ATOM 150 OD1 ASN A 13 -8.997 9.725 -5.761 1.00 0.89 O flip ATOM 151 ND2 ASN A 13 -8.087 11.728 -6.155 1.00 1.14 N flip ATOM 0 H ASN A 13 -7.955 9.121 -3.802 1.00 0.19 H new ATOM 0 HA ASN A 13 -9.618 10.846 -2.058 1.00 0.24 H new ATOM 0 HB2 ASN A 13 -10.234 11.974 -4.249 1.00 0.32 H new ATOM 0 HB3 ASN A 13 -8.593 12.247 -3.697 1.00 0.32 H new ATOM 0 HD21 ASN A 13 -7.904 12.690 -5.871 1.00 1.14 H new ATOM 0 HD22 ASN A 13 -7.729 11.383 -7.046 1.00 1.14 H new ATOM 158 N ASP A 14 -11.838 10.124 -3.311 1.00 0.43 N ATOM 159 CA ASP A 14 -13.089 9.419 -3.604 1.00 0.51 C ATOM 160 C ASP A 14 -13.202 9.091 -5.090 1.00 0.43 C ATOM 161 O ASP A 14 -14.131 8.411 -5.519 1.00 0.48 O ATOM 162 CB ASP A 14 -14.307 10.260 -3.193 1.00 0.81 C ATOM 163 CG ASP A 14 -14.416 10.496 -1.698 1.00 1.53 C ATOM 164 OD1 ASP A 14 -13.841 9.712 -0.917 1.00 2.26 O1- ATOM 165 OD2 ASP A 14 -15.086 11.477 -1.300 1.00 1.86 O ATOM 0 H ASP A 14 -11.960 11.108 -3.071 1.00 0.43 H new ATOM 0 HA ASP A 14 -13.074 8.494 -3.028 1.00 0.51 H new ATOM 0 HB2 ASP A 14 -14.259 11.224 -3.700 1.00 0.81 H new ATOM 0 HB3 ASP A 14 -15.213 9.763 -3.539 1.00 0.81 H new ATOM 170 N ASN A 15 -12.251 9.579 -5.876 1.00 0.45 N ATOM 171 CA ASN A 15 -12.270 9.375 -7.319 1.00 0.48 C ATOM 172 C ASN A 15 -11.488 8.122 -7.701 1.00 0.41 C ATOM 173 O ASN A 15 -11.117 7.935 -8.857 1.00 0.47 O ATOM 174 CB ASN A 15 -11.707 10.596 -8.059 1.00 0.60 C ATOM 175 CG ASN A 15 -12.496 11.872 -7.805 1.00 0.93 C ATOM 176 OD1 ASN A 15 -13.043 12.082 -6.721 1.00 1.59 O ATOM 177 ND2 ASN A 15 -12.565 12.734 -8.806 1.00 1.58 N ATOM 0 H ASN A 15 -11.455 10.120 -5.538 1.00 0.45 H new ATOM 0 HA ASN A 15 -13.309 9.242 -7.619 1.00 0.48 H new ATOM 0 HB2 ASN A 15 -10.672 10.751 -7.755 1.00 0.60 H new ATOM 0 HB3 ASN A 15 -11.697 10.390 -9.129 1.00 0.60 H new ATOM 0 HD21 ASN A 15 -13.083 13.605 -8.694 1.00 1.58 H new ATOM 0 HD22 ASN A 15 -12.100 12.527 -9.690 1.00 1.58 H new ATOM 184 N MET A 16 -11.231 7.285 -6.695 1.00 0.36 N ATOM 185 CA MET A 16 -10.594 5.981 -6.881 1.00 0.39 C ATOM 186 C MET A 16 -9.221 6.088 -7.532 1.00 0.38 C ATOM 187 O MET A 16 -8.998 5.551 -8.617 1.00 0.54 O ATOM 188 CB MET A 16 -11.486 5.061 -7.716 1.00 0.50 C ATOM 189 CG MET A 16 -12.812 4.729 -7.060 1.00 0.58 C ATOM 190 SD MET A 16 -13.843 3.656 -8.079 1.00 1.03 S ATOM 191 CE MET A 16 -12.791 2.213 -8.213 1.00 1.92 C ATOM 0 H MET A 16 -11.460 7.494 -5.723 1.00 0.36 H new ATOM 0 HA MET A 16 -10.456 5.558 -5.886 1.00 0.39 H new ATOM 0 HB2 MET A 16 -11.677 5.533 -8.680 1.00 0.50 H new ATOM 0 HB3 MET A 16 -10.949 4.134 -7.916 1.00 0.50 H new ATOM 0 HG2 MET A 16 -12.627 4.245 -6.101 1.00 0.58 H new ATOM 0 HG3 MET A 16 -13.351 5.653 -6.852 1.00 0.58 H new ATOM 0 HE1 MET A 16 -13.398 1.341 -8.457 1.00 1.92 H new ATOM 0 HE2 MET A 16 -12.053 2.373 -8.999 1.00 1.92 H new ATOM 0 HE3 MET A 16 -12.281 2.045 -7.265 1.00 1.92 H new ATOM 201 N GLN A 17 -8.296 6.768 -6.869 1.00 0.28 N ATOM 202 CA GLN A 17 -6.929 6.853 -7.364 1.00 0.33 C ATOM 203 C GLN A 17 -5.991 7.394 -6.299 1.00 0.28 C ATOM 204 O GLN A 17 -6.418 8.076 -5.363 1.00 0.40 O ATOM 205 CB GLN A 17 -6.838 7.728 -8.625 1.00 0.44 C ATOM 206 CG GLN A 17 -7.146 9.198 -8.401 1.00 0.77 C ATOM 207 CD GLN A 17 -6.661 10.065 -9.549 1.00 1.21 C ATOM 208 OE1 GLN A 17 -5.657 9.755 -10.194 1.00 1.78 O ATOM 209 NE2 GLN A 17 -7.368 11.149 -9.822 1.00 1.86 N ATOM 0 H GLN A 17 -8.465 7.265 -5.994 1.00 0.28 H new ATOM 0 HA GLN A 17 -6.623 5.839 -7.622 1.00 0.33 H new ATOM 0 HB2 GLN A 17 -5.834 7.640 -9.040 1.00 0.44 H new ATOM 0 HB3 GLN A 17 -7.527 7.336 -9.373 1.00 0.44 H new ATOM 0 HG2 GLN A 17 -8.221 9.328 -8.278 1.00 0.77 H new ATOM 0 HG3 GLN A 17 -6.677 9.529 -7.474 1.00 0.77 H new ATOM 0 HE21 GLN A 17 -8.193 11.373 -9.266 1.00 1.86 H new ATOM 0 HE22 GLN A 17 -7.088 11.761 -10.589 1.00 1.86 H new ATOM 218 N PHE A 18 -4.721 7.052 -6.448 1.00 0.30 N ATOM 219 CA PHE A 18 -3.660 7.602 -5.622 1.00 0.27 C ATOM 220 C PHE A 18 -3.098 8.840 -6.308 1.00 0.33 C ATOM 221 O PHE A 18 -3.159 8.952 -7.533 1.00 0.44 O ATOM 222 CB PHE A 18 -2.535 6.575 -5.435 1.00 0.29 C ATOM 223 CG PHE A 18 -2.934 5.331 -4.692 1.00 0.25 C ATOM 224 CD1 PHE A 18 -3.334 5.396 -3.366 1.00 0.24 C ATOM 225 CD2 PHE A 18 -2.891 4.093 -5.315 1.00 0.27 C ATOM 226 CE1 PHE A 18 -3.686 4.250 -2.678 1.00 0.25 C ATOM 227 CE2 PHE A 18 -3.239 2.943 -4.631 1.00 0.26 C ATOM 228 CZ PHE A 18 -3.637 3.023 -3.310 1.00 0.28 C ATOM 0 H PHE A 18 -4.397 6.384 -7.147 1.00 0.30 H new ATOM 0 HA PHE A 18 -4.066 7.858 -4.643 1.00 0.27 H new ATOM 0 HB2 PHE A 18 -2.156 6.289 -6.416 1.00 0.29 H new ATOM 0 HB3 PHE A 18 -1.712 7.051 -4.902 1.00 0.29 H new ATOM 0 HD1 PHE A 18 -3.371 6.352 -2.865 1.00 0.24 H new ATOM 0 HD2 PHE A 18 -2.582 4.026 -6.348 1.00 0.27 H new ATOM 0 HE1 PHE A 18 -3.999 4.314 -1.646 1.00 0.25 H new ATOM 0 HE2 PHE A 18 -3.200 1.985 -5.128 1.00 0.26 H new ATOM 0 HZ PHE A 18 -3.909 2.127 -2.772 1.00 0.28 H new ATOM 238 N ASN A 19 -2.552 9.763 -5.528 1.00 0.35 N ATOM 239 CA ASN A 19 -1.970 10.980 -6.086 1.00 0.49 C ATOM 240 C ASN A 19 -0.592 10.708 -6.688 1.00 0.36 C ATOM 241 O ASN A 19 0.018 11.594 -7.289 1.00 0.45 O ATOM 242 CB ASN A 19 -1.865 12.082 -5.023 1.00 0.71 C ATOM 243 CG ASN A 19 -0.875 11.755 -3.914 1.00 1.33 C ATOM 244 OD1 ASN A 19 -0.707 10.597 -3.526 1.00 2.31 O ATOM 245 ND2 ASN A 19 -0.212 12.776 -3.390 1.00 1.42 N ATOM 0 H ASN A 19 -2.499 9.695 -4.512 1.00 0.35 H new ATOM 0 HA ASN A 19 -2.635 11.322 -6.879 1.00 0.49 H new ATOM 0 HB2 ASN A 19 -1.567 13.014 -5.504 1.00 0.71 H new ATOM 0 HB3 ASN A 19 -2.849 12.250 -4.585 1.00 0.71 H new ATOM 0 HD21 ASN A 19 0.462 12.616 -2.641 1.00 1.42 H new ATOM 0 HD22 ASN A 19 -0.376 13.722 -3.735 1.00 1.42 H new ATOM 252 N THR A 20 -0.107 9.485 -6.521 1.00 0.36 N ATOM 253 CA THR A 20 1.171 9.081 -7.083 1.00 0.33 C ATOM 254 C THR A 20 1.173 7.585 -7.379 1.00 0.24 C ATOM 255 O THR A 20 0.493 6.810 -6.704 1.00 0.32 O ATOM 256 CB THR A 20 2.343 9.428 -6.135 1.00 0.53 C ATOM 257 OG1 THR A 20 3.592 9.013 -6.711 1.00 1.12 O ATOM 258 CG2 THR A 20 2.168 8.766 -4.775 1.00 0.44 C ATOM 0 H THR A 20 -0.585 8.752 -5.997 1.00 0.36 H new ATOM 0 HA THR A 20 1.310 9.633 -8.012 1.00 0.33 H new ATOM 0 HB THR A 20 2.347 10.509 -5.997 1.00 0.53 H new ATOM 0 HG1 THR A 20 4.088 8.473 -6.061 1.00 1.12 H new ATOM 0 HG21 THR A 20 3.008 9.029 -4.132 1.00 0.44 H new ATOM 0 HG22 THR A 20 1.240 9.111 -4.319 1.00 0.44 H new ATOM 0 HG23 THR A 20 2.131 7.684 -4.899 1.00 0.44 H new ATOM 266 N LYS A 21 1.920 7.189 -8.401 1.00 0.23 N ATOM 267 CA LYS A 21 2.065 5.783 -8.746 1.00 0.31 C ATOM 268 C LYS A 21 3.506 5.328 -8.546 1.00 0.23 C ATOM 269 O LYS A 21 3.876 4.222 -8.939 1.00 0.28 O ATOM 270 CB LYS A 21 1.643 5.525 -10.196 1.00 0.50 C ATOM 271 CG LYS A 21 0.170 5.786 -10.470 1.00 0.91 C ATOM 272 CD LYS A 21 -0.232 5.261 -11.842 1.00 0.85 C ATOM 273 CE LYS A 21 -1.684 5.577 -12.171 1.00 1.30 C ATOM 274 NZ LYS A 21 -1.901 7.024 -12.423 1.00 2.18 N1+ ATOM 0 H LYS A 21 2.437 7.826 -9.007 1.00 0.23 H new ATOM 0 HA LYS A 21 1.413 5.212 -8.085 1.00 0.31 H new ATOM 0 HB2 LYS A 21 2.241 6.155 -10.855 1.00 0.50 H new ATOM 0 HB3 LYS A 21 1.871 4.490 -10.451 1.00 0.50 H new ATOM 0 HG2 LYS A 21 -0.437 5.307 -9.701 1.00 0.91 H new ATOM 0 HG3 LYS A 21 -0.030 6.856 -10.413 1.00 0.91 H new ATOM 0 HD2 LYS A 21 0.415 5.699 -12.602 1.00 0.85 H new ATOM 0 HD3 LYS A 21 -0.079 4.182 -11.876 1.00 0.85 H new ATOM 0 HE2 LYS A 21 -1.988 5.008 -13.049 1.00 1.30 H new ATOM 0 HE3 LYS A 21 -2.320 5.254 -11.347 1.00 1.30 H new ATOM 0 HZ1 LYS A 21 -2.874 7.176 -12.758 1.00 2.18 H new ATOM 0 HZ2 LYS A 21 -1.751 7.556 -11.542 1.00 2.18 H new ATOM 0 HZ3 LYS A 21 -1.231 7.355 -13.146 1.00 2.18 H new ATOM 288 N ASP A 22 4.317 6.182 -7.930 1.00 0.20 N ATOM 289 CA ASP A 22 5.726 5.870 -7.708 1.00 0.22 C ATOM 290 C ASP A 22 6.139 6.194 -6.281 1.00 0.20 C ATOM 291 O ASP A 22 5.907 7.302 -5.793 1.00 0.24 O ATOM 292 CB ASP A 22 6.629 6.648 -8.676 1.00 0.34 C ATOM 293 CG ASP A 22 6.529 6.171 -10.111 1.00 1.26 C ATOM 294 OD1 ASP A 22 7.069 5.086 -10.422 1.00 1.86 O1- ATOM 295 OD2 ASP A 22 5.884 6.860 -10.927 1.00 2.06 O ATOM 0 H ASP A 22 4.025 7.093 -7.576 1.00 0.20 H new ATOM 0 HA ASP A 22 5.847 4.802 -7.887 1.00 0.22 H new ATOM 0 HB2 ASP A 22 6.368 7.705 -8.634 1.00 0.34 H new ATOM 0 HB3 ASP A 22 7.664 6.562 -8.344 1.00 0.34 H new ATOM 300 N ILE A 23 6.737 5.217 -5.612 1.00 0.19 N ATOM 301 CA ILE A 23 7.314 5.421 -4.291 1.00 0.21 C ATOM 302 C ILE A 23 8.708 4.818 -4.241 1.00 0.27 C ATOM 303 O ILE A 23 8.906 3.647 -4.565 1.00 0.32 O ATOM 304 CB ILE A 23 6.448 4.800 -3.167 1.00 0.21 C ATOM 305 CG1 ILE A 23 5.105 5.529 -3.059 1.00 0.22 C ATOM 306 CG2 ILE A 23 7.187 4.850 -1.831 1.00 0.26 C ATOM 307 CD1 ILE A 23 4.137 4.877 -2.093 1.00 0.23 C ATOM 0 H ILE A 23 6.835 4.266 -5.968 1.00 0.19 H new ATOM 0 HA ILE A 23 7.358 6.497 -4.120 1.00 0.21 H new ATOM 0 HB ILE A 23 6.257 3.757 -3.419 1.00 0.21 H new ATOM 0 HG12 ILE A 23 5.283 6.557 -2.743 1.00 0.22 H new ATOM 0 HG13 ILE A 23 4.645 5.574 -4.046 1.00 0.22 H new ATOM 0 HG21 ILE A 23 6.563 4.409 -1.053 1.00 0.26 H new ATOM 0 HG22 ILE A 23 8.119 4.290 -1.909 1.00 0.26 H new ATOM 0 HG23 ILE A 23 7.407 5.887 -1.576 1.00 0.26 H new ATOM 0 HD11 ILE A 23 3.208 5.447 -2.068 1.00 0.23 H new ATOM 0 HD12 ILE A 23 3.929 3.858 -2.419 1.00 0.23 H new ATOM 0 HD13 ILE A 23 4.577 4.856 -1.096 1.00 0.23 H new ATOM 319 N GLN A 24 9.675 5.625 -3.858 1.00 0.34 N ATOM 320 CA GLN A 24 11.047 5.167 -3.756 1.00 0.41 C ATOM 321 C GLN A 24 11.457 5.044 -2.299 1.00 0.35 C ATOM 322 O GLN A 24 11.362 6.000 -1.533 1.00 0.39 O ATOM 323 CB GLN A 24 11.988 6.118 -4.488 1.00 0.57 C ATOM 324 CG GLN A 24 11.730 6.190 -5.982 1.00 0.67 C ATOM 325 CD GLN A 24 12.631 7.185 -6.687 1.00 0.86 C ATOM 326 OE1 GLN A 24 13.020 8.240 -5.988 1.00 1.32 O flip ATOM 327 NE2 GLN A 24 12.965 7.010 -7.858 1.00 1.46 N flip ATOM 0 H GLN A 24 9.537 6.605 -3.611 1.00 0.34 H new ATOM 0 HA GLN A 24 11.115 4.185 -4.224 1.00 0.41 H new ATOM 0 HB2 GLN A 24 11.888 7.116 -4.061 1.00 0.57 H new ATOM 0 HB3 GLN A 24 13.017 5.800 -4.319 1.00 0.57 H new ATOM 0 HG2 GLN A 24 11.875 5.202 -6.419 1.00 0.67 H new ATOM 0 HG3 GLN A 24 10.689 6.464 -6.153 1.00 0.67 H new ATOM 0 HE21 GLN A 24 12.644 6.183 -8.362 1.00 1.46 H new ATOM 0 HE22 GLN A 24 13.563 7.691 -8.325 1.00 1.46 H new ATOM 336 N VAL A 25 11.906 3.861 -1.925 1.00 0.31 N ATOM 337 CA VAL A 25 12.356 3.615 -0.568 1.00 0.25 C ATOM 338 C VAL A 25 13.875 3.607 -0.525 1.00 0.26 C ATOM 339 O VAL A 25 14.519 2.775 -1.162 1.00 0.30 O ATOM 340 CB VAL A 25 11.809 2.282 -0.016 1.00 0.23 C ATOM 341 CG1 VAL A 25 12.305 2.040 1.401 1.00 0.22 C ATOM 342 CG2 VAL A 25 10.288 2.276 -0.055 1.00 0.23 C ATOM 0 H VAL A 25 11.969 3.053 -2.544 1.00 0.31 H new ATOM 0 HA VAL A 25 11.972 4.417 0.062 1.00 0.25 H new ATOM 0 HB VAL A 25 12.177 1.474 -0.648 1.00 0.23 H new ATOM 0 HG11 VAL A 25 11.907 1.095 1.769 1.00 0.22 H new ATOM 0 HG12 VAL A 25 13.394 2.000 1.403 1.00 0.22 H new ATOM 0 HG13 VAL A 25 11.970 2.851 2.047 1.00 0.22 H new ATOM 0 HG21 VAL A 25 9.918 1.329 0.338 1.00 0.23 H new ATOM 0 HG22 VAL A 25 9.905 3.096 0.553 1.00 0.23 H new ATOM 0 HG23 VAL A 25 9.950 2.399 -1.084 1.00 0.23 H new ATOM 352 N SER A 26 14.441 4.544 0.210 1.00 0.27 N ATOM 353 CA SER A 26 15.884 4.689 0.273 1.00 0.29 C ATOM 354 C SER A 26 16.487 3.647 1.212 1.00 0.26 C ATOM 355 O SER A 26 16.129 3.573 2.389 1.00 0.25 O ATOM 356 CB SER A 26 16.253 6.105 0.732 1.00 0.36 C ATOM 357 OG SER A 26 17.638 6.361 0.552 1.00 1.16 O ATOM 0 H SER A 26 13.923 5.218 0.774 1.00 0.27 H new ATOM 0 HA SER A 26 16.294 4.528 -0.724 1.00 0.29 H new ATOM 0 HB2 SER A 26 15.670 6.835 0.171 1.00 0.36 H new ATOM 0 HB3 SER A 26 15.992 6.229 1.783 1.00 0.36 H new ATOM 0 HG SER A 26 17.837 6.428 -0.405 1.00 1.16 H new ATOM 363 N LYS A 27 17.407 2.848 0.681 1.00 0.32 N ATOM 364 CA LYS A 27 18.087 1.823 1.471 1.00 0.36 C ATOM 365 C LYS A 27 19.104 2.454 2.416 1.00 0.42 C ATOM 366 O LYS A 27 19.762 1.765 3.193 1.00 0.54 O ATOM 367 CB LYS A 27 18.780 0.805 0.559 1.00 0.45 C ATOM 368 CG LYS A 27 19.921 1.384 -0.266 1.00 0.82 C ATOM 369 CD LYS A 27 20.634 0.313 -1.081 1.00 0.86 C ATOM 370 CE LYS A 27 19.708 -0.332 -2.103 1.00 0.98 C ATOM 371 NZ LYS A 27 20.406 -1.360 -2.919 1.00 0.97 N1+ ATOM 0 H LYS A 27 17.700 2.889 -0.295 1.00 0.32 H new ATOM 0 HA LYS A 27 17.334 1.304 2.065 1.00 0.36 H new ATOM 0 HB2 LYS A 27 19.166 -0.011 1.170 1.00 0.45 H new ATOM 0 HB3 LYS A 27 18.040 0.375 -0.116 1.00 0.45 H new ATOM 0 HG2 LYS A 27 19.532 2.151 -0.936 1.00 0.82 H new ATOM 0 HG3 LYS A 27 20.636 1.872 0.396 1.00 0.82 H new ATOM 0 HD2 LYS A 27 21.488 0.755 -1.593 1.00 0.86 H new ATOM 0 HD3 LYS A 27 21.025 -0.453 -0.411 1.00 0.86 H new ATOM 0 HE2 LYS A 27 18.864 -0.790 -1.588 1.00 0.98 H new ATOM 0 HE3 LYS A 27 19.302 0.437 -2.760 1.00 0.98 H new ATOM 0 HZ1 LYS A 27 19.739 -1.773 -3.601 1.00 0.97 H new ATOM 0 HZ2 LYS A 27 21.196 -0.919 -3.431 1.00 0.97 H new ATOM 0 HZ3 LYS A 27 20.772 -2.108 -2.296 1.00 0.97 H new ATOM 385 N ALA A 28 19.230 3.773 2.337 1.00 0.44 N ATOM 386 CA ALA A 28 20.106 4.514 3.228 1.00 0.53 C ATOM 387 C ALA A 28 19.395 4.799 4.544 1.00 0.49 C ATOM 388 O ALA A 28 19.980 5.347 5.478 1.00 0.63 O ATOM 389 CB ALA A 28 20.554 5.808 2.569 1.00 0.65 C ATOM 0 H ALA A 28 18.732 4.352 1.660 1.00 0.44 H new ATOM 0 HA ALA A 28 20.990 3.911 3.436 1.00 0.53 H new ATOM 0 HB1 ALA A 28 21.210 6.354 3.247 1.00 0.65 H new ATOM 0 HB2 ALA A 28 21.092 5.580 1.649 1.00 0.65 H new ATOM 0 HB3 ALA A 28 19.682 6.419 2.338 1.00 0.65 H new ATOM 395 N CYS A 29 18.128 4.417 4.606 1.00 0.37 N ATOM 396 CA CYS A 29 17.320 4.594 5.800 1.00 0.40 C ATOM 397 C CYS A 29 17.015 3.231 6.412 1.00 0.40 C ATOM 398 O CYS A 29 16.877 2.244 5.695 1.00 0.40 O ATOM 399 CB CYS A 29 16.022 5.324 5.439 1.00 0.41 C ATOM 400 SG CYS A 29 16.284 6.943 4.641 1.00 0.49 S ATOM 0 H CYS A 29 17.633 3.976 3.830 1.00 0.37 H new ATOM 0 HA CYS A 29 17.865 5.193 6.529 1.00 0.40 H new ATOM 0 HB2 CYS A 29 15.434 4.692 4.773 1.00 0.41 H new ATOM 0 HB3 CYS A 29 15.433 5.467 6.345 1.00 0.41 H new ATOM 0 HG CYS A 29 15.136 7.454 4.310 1.00 0.49 H new ATOM 405 N LYS A 30 16.944 3.174 7.734 1.00 0.49 N ATOM 406 CA LYS A 30 16.676 1.923 8.431 1.00 0.59 C ATOM 407 C LYS A 30 15.174 1.714 8.619 1.00 0.51 C ATOM 408 O LYS A 30 14.698 0.580 8.700 1.00 0.52 O ATOM 409 CB LYS A 30 17.388 1.913 9.788 1.00 0.81 C ATOM 410 CG LYS A 30 17.178 0.632 10.582 1.00 1.42 C ATOM 411 CD LYS A 30 17.912 0.671 11.912 1.00 2.13 C ATOM 412 CE LYS A 30 19.420 0.608 11.729 1.00 2.73 C ATOM 413 NZ LYS A 30 19.852 -0.666 11.094 1.00 3.49 N1+ ATOM 0 H LYS A 30 17.068 3.980 8.347 1.00 0.49 H new ATOM 0 HA LYS A 30 17.059 1.103 7.823 1.00 0.59 H new ATOM 0 HB2 LYS A 30 18.456 2.060 9.628 1.00 0.81 H new ATOM 0 HB3 LYS A 30 17.035 2.758 10.379 1.00 0.81 H new ATOM 0 HG2 LYS A 30 16.113 0.483 10.758 1.00 1.42 H new ATOM 0 HG3 LYS A 30 17.527 -0.220 9.998 1.00 1.42 H new ATOM 0 HD2 LYS A 30 17.649 1.584 12.445 1.00 2.13 H new ATOM 0 HD3 LYS A 30 17.586 -0.165 12.531 1.00 2.13 H new ATOM 0 HE2 LYS A 30 19.746 1.448 11.115 1.00 2.73 H new ATOM 0 HE3 LYS A 30 19.907 0.713 12.698 1.00 2.73 H new ATOM 0 HZ1 LYS A 30 20.872 -0.801 11.245 1.00 3.49 H new ATOM 0 HZ2 LYS A 30 19.331 -1.460 11.519 1.00 3.49 H new ATOM 0 HZ3 LYS A 30 19.655 -0.630 10.073 1.00 3.49 H new ATOM 427 N GLU A 31 14.432 2.808 8.690 1.00 0.51 N ATOM 428 CA GLU A 31 12.984 2.742 8.842 1.00 0.52 C ATOM 429 C GLU A 31 12.309 3.707 7.884 1.00 0.42 C ATOM 430 O GLU A 31 12.645 4.891 7.849 1.00 0.44 O ATOM 431 CB GLU A 31 12.569 3.074 10.278 1.00 0.69 C ATOM 432 CG GLU A 31 13.068 2.083 11.312 1.00 1.15 C ATOM 433 CD GLU A 31 12.745 2.512 12.726 1.00 1.39 C ATOM 434 OE1 GLU A 31 11.631 2.215 13.205 1.00 1.71 O ATOM 435 OE2 GLU A 31 13.605 3.147 13.371 1.00 2.00 O1- ATOM 0 H GLU A 31 14.808 3.755 8.645 1.00 0.51 H new ATOM 0 HA GLU A 31 12.669 1.724 8.612 1.00 0.52 H new ATOM 0 HB2 GLU A 31 12.942 4.066 10.532 1.00 0.69 H new ATOM 0 HB3 GLU A 31 11.481 3.119 10.329 1.00 0.69 H new ATOM 0 HG2 GLU A 31 12.622 1.107 11.121 1.00 1.15 H new ATOM 0 HG3 GLU A 31 14.147 1.966 11.208 1.00 1.15 H new ATOM 442 N PHE A 32 11.365 3.198 7.108 1.00 0.36 N ATOM 443 CA PHE A 32 10.624 4.025 6.174 1.00 0.30 C ATOM 444 C PHE A 32 9.129 3.887 6.443 1.00 0.25 C ATOM 445 O PHE A 32 8.586 2.780 6.426 1.00 0.29 O ATOM 446 CB PHE A 32 10.952 3.617 4.736 1.00 0.32 C ATOM 447 CG PHE A 32 10.550 4.630 3.700 1.00 0.30 C ATOM 448 CD1 PHE A 32 11.400 5.669 3.350 1.00 0.30 C ATOM 449 CD2 PHE A 32 9.311 4.547 3.086 1.00 0.32 C ATOM 450 CE1 PHE A 32 11.021 6.600 2.402 1.00 0.32 C ATOM 451 CE2 PHE A 32 8.928 5.477 2.139 1.00 0.34 C ATOM 452 CZ PHE A 32 9.832 6.498 1.772 1.00 0.34 C ATOM 0 H PHE A 32 11.095 2.214 7.108 1.00 0.36 H new ATOM 0 HA PHE A 32 10.911 5.068 6.309 1.00 0.30 H new ATOM 0 HB2 PHE A 32 12.024 3.439 4.657 1.00 0.32 H new ATOM 0 HB3 PHE A 32 10.455 2.672 4.516 1.00 0.32 H new ATOM 0 HD1 PHE A 32 12.367 5.751 3.823 1.00 0.30 H new ATOM 0 HD2 PHE A 32 8.637 3.746 3.351 1.00 0.32 H new ATOM 0 HE1 PHE A 32 11.684 7.418 2.163 1.00 0.32 H new ATOM 0 HE2 PHE A 32 7.949 5.424 1.685 1.00 0.34 H new ATOM 0 HZ PHE A 32 9.572 7.195 0.989 1.00 0.34 H new ATOM 462 N THR A 33 8.479 5.007 6.712 1.00 0.21 N ATOM 463 CA THR A 33 7.065 5.012 7.044 1.00 0.19 C ATOM 464 C THR A 33 6.239 5.643 5.931 1.00 0.17 C ATOM 465 O THR A 33 6.559 6.722 5.440 1.00 0.26 O ATOM 466 CB THR A 33 6.814 5.778 8.360 1.00 0.24 C ATOM 467 OG1 THR A 33 7.585 5.196 9.423 1.00 0.32 O ATOM 468 CG2 THR A 33 5.337 5.762 8.735 1.00 0.26 C ATOM 0 H THR A 33 8.912 5.930 6.707 1.00 0.21 H new ATOM 0 HA THR A 33 6.758 3.973 7.166 1.00 0.19 H new ATOM 0 HB THR A 33 7.120 6.813 8.209 1.00 0.24 H new ATOM 0 HG1 THR A 33 7.153 4.371 9.727 1.00 0.32 H new ATOM 0 HG21 THR A 33 5.192 6.310 9.666 1.00 0.26 H new ATOM 0 HG22 THR A 33 4.755 6.233 7.943 1.00 0.26 H new ATOM 0 HG23 THR A 33 5.006 4.732 8.865 1.00 0.26 H new ATOM 476 N ILE A 34 5.181 4.963 5.537 1.00 0.16 N ATOM 477 CA ILE A 34 4.279 5.477 4.526 1.00 0.17 C ATOM 478 C ILE A 34 2.939 5.823 5.161 1.00 0.17 C ATOM 479 O ILE A 34 2.306 4.975 5.790 1.00 0.21 O ATOM 480 CB ILE A 34 4.061 4.461 3.383 1.00 0.18 C ATOM 481 CG1 ILE A 34 5.407 4.083 2.749 1.00 0.19 C ATOM 482 CG2 ILE A 34 3.110 5.037 2.339 1.00 0.23 C ATOM 483 CD1 ILE A 34 5.299 3.050 1.645 1.00 0.22 C ATOM 0 H ILE A 34 4.924 4.047 5.905 1.00 0.16 H new ATOM 0 HA ILE A 34 4.733 6.371 4.099 1.00 0.17 H new ATOM 0 HB ILE A 34 3.609 3.557 3.792 1.00 0.18 H new ATOM 0 HG12 ILE A 34 5.873 4.983 2.347 1.00 0.19 H new ATOM 0 HG13 ILE A 34 6.069 3.701 3.526 1.00 0.19 H new ATOM 0 HG21 ILE A 34 2.965 4.311 1.539 1.00 0.23 H new ATOM 0 HG22 ILE A 34 2.150 5.260 2.805 1.00 0.23 H new ATOM 0 HG23 ILE A 34 3.534 5.952 1.926 1.00 0.23 H new ATOM 0 HD11 ILE A 34 6.291 2.836 1.248 1.00 0.22 H new ATOM 0 HD12 ILE A 34 4.863 2.134 2.045 1.00 0.22 H new ATOM 0 HD13 ILE A 34 4.664 3.435 0.847 1.00 0.22 H new ATOM 495 N THR A 35 2.528 7.069 5.011 1.00 0.18 N ATOM 496 CA THR A 35 1.277 7.534 5.577 1.00 0.19 C ATOM 497 C THR A 35 0.247 7.772 4.479 1.00 0.17 C ATOM 498 O THR A 35 0.494 8.518 3.532 1.00 0.20 O ATOM 499 CB THR A 35 1.483 8.828 6.388 1.00 0.23 C ATOM 500 OG1 THR A 35 2.378 8.574 7.479 1.00 0.23 O ATOM 501 CG2 THR A 35 0.161 9.357 6.923 1.00 0.28 C ATOM 0 H THR A 35 3.048 7.781 4.498 1.00 0.18 H new ATOM 0 HA THR A 35 0.908 6.758 6.248 1.00 0.19 H new ATOM 0 HB THR A 35 1.910 9.582 5.727 1.00 0.23 H new ATOM 0 HG1 THR A 35 2.509 9.398 7.993 1.00 0.23 H new ATOM 0 HG21 THR A 35 0.338 10.270 7.491 1.00 0.28 H new ATOM 0 HG22 THR A 35 -0.509 9.571 6.090 1.00 0.28 H new ATOM 0 HG23 THR A 35 -0.295 8.609 7.572 1.00 0.28 H new ATOM 509 N LEU A 36 -0.901 7.128 4.607 1.00 0.16 N ATOM 510 CA LEU A 36 -1.963 7.254 3.627 1.00 0.14 C ATOM 511 C LEU A 36 -3.058 8.174 4.150 1.00 0.17 C ATOM 512 O LEU A 36 -3.618 7.939 5.222 1.00 0.20 O ATOM 513 CB LEU A 36 -2.552 5.877 3.306 1.00 0.16 C ATOM 514 CG LEU A 36 -3.583 5.850 2.171 1.00 0.14 C ATOM 515 CD1 LEU A 36 -2.929 6.193 0.842 1.00 0.17 C ATOM 516 CD2 LEU A 36 -4.262 4.489 2.095 1.00 0.18 C ATOM 0 H LEU A 36 -1.121 6.508 5.387 1.00 0.16 H new ATOM 0 HA LEU A 36 -1.545 7.683 2.716 1.00 0.14 H new ATOM 0 HB2 LEU A 36 -1.735 5.203 3.048 1.00 0.16 H new ATOM 0 HB3 LEU A 36 -3.019 5.481 4.208 1.00 0.16 H new ATOM 0 HG LEU A 36 -4.342 6.602 2.384 1.00 0.14 H new ATOM 0 HD11 LEU A 36 -3.678 6.168 0.051 1.00 0.17 H new ATOM 0 HD12 LEU A 36 -2.493 7.190 0.898 1.00 0.17 H new ATOM 0 HD13 LEU A 36 -2.146 5.467 0.624 1.00 0.17 H new ATOM 0 HD21 LEU A 36 -4.990 4.490 1.284 1.00 0.18 H new ATOM 0 HD22 LEU A 36 -3.513 3.719 1.910 1.00 0.18 H new ATOM 0 HD23 LEU A 36 -4.770 4.282 3.037 1.00 0.18 H new ATOM 528 N LYS A 37 -3.345 9.223 3.399 1.00 0.21 N ATOM 529 CA LYS A 37 -4.410 10.150 3.747 1.00 0.27 C ATOM 530 C LYS A 37 -5.558 10.004 2.760 1.00 0.20 C ATOM 531 O LYS A 37 -5.427 10.363 1.589 1.00 0.22 O ATOM 532 CB LYS A 37 -3.902 11.602 3.729 1.00 0.42 C ATOM 533 CG LYS A 37 -2.750 11.881 4.686 1.00 1.22 C ATOM 534 CD LYS A 37 -3.166 11.737 6.141 1.00 1.21 C ATOM 535 CE LYS A 37 -2.043 12.148 7.082 1.00 2.09 C ATOM 536 NZ LYS A 37 -1.740 13.602 7.000 1.00 2.62 N1+ ATOM 0 H LYS A 37 -2.851 9.456 2.537 1.00 0.21 H new ATOM 0 HA LYS A 37 -4.754 9.915 4.754 1.00 0.27 H new ATOM 0 HB2 LYS A 37 -3.584 11.850 2.716 1.00 0.42 H new ATOM 0 HB3 LYS A 37 -4.731 12.266 3.975 1.00 0.42 H new ATOM 0 HG2 LYS A 37 -1.930 11.195 4.475 1.00 1.22 H new ATOM 0 HG3 LYS A 37 -2.374 12.890 4.515 1.00 1.22 H new ATOM 0 HD2 LYS A 37 -4.046 12.351 6.332 1.00 1.21 H new ATOM 0 HD3 LYS A 37 -3.449 10.703 6.340 1.00 1.21 H new ATOM 0 HE2 LYS A 37 -2.319 11.894 8.106 1.00 2.09 H new ATOM 0 HE3 LYS A 37 -1.145 11.578 6.843 1.00 2.09 H new ATOM 0 HZ1 LYS A 37 -1.149 13.880 7.809 1.00 2.62 H new ATOM 0 HZ2 LYS A 37 -1.231 13.801 6.115 1.00 2.62 H new ATOM 0 HZ3 LYS A 37 -2.628 14.143 7.018 1.00 2.62 H new ATOM 550 N HIS A 38 -6.675 9.460 3.216 1.00 0.18 N ATOM 551 CA HIS A 38 -7.835 9.324 2.348 1.00 0.16 C ATOM 552 C HIS A 38 -8.653 10.602 2.391 1.00 0.23 C ATOM 553 O HIS A 38 -9.540 10.766 3.230 1.00 0.29 O ATOM 554 CB HIS A 38 -8.698 8.117 2.745 1.00 0.21 C ATOM 555 CG HIS A 38 -9.884 7.866 1.843 1.00 0.20 C ATOM 556 ND1 HIS A 38 -10.252 8.695 0.797 1.00 0.18 N ATOM 557 CD2 HIS A 38 -10.807 6.875 1.866 1.00 0.29 C ATOM 558 CE1 HIS A 38 -11.348 8.226 0.231 1.00 0.19 C ATOM 559 NE2 HIS A 38 -11.703 7.121 0.858 1.00 0.24 N ATOM 0 H HIS A 38 -6.804 9.111 4.166 1.00 0.18 H new ATOM 0 HA HIS A 38 -7.485 9.152 1.330 1.00 0.16 H new ATOM 0 HB2 HIS A 38 -8.070 7.226 2.754 1.00 0.21 H new ATOM 0 HB3 HIS A 38 -9.058 8.264 3.763 1.00 0.21 H new ATOM 0 HD2 HIS A 38 -10.832 6.042 2.553 1.00 0.29 H new ATOM 0 HE1 HIS A 38 -11.867 8.672 -0.605 1.00 0.19 H new ATOM 0 HE2 HIS A 38 -12.512 6.544 0.630 1.00 0.24 H new ATOM 568 N THR A 39 -8.345 11.492 1.474 1.00 0.30 N ATOM 569 CA THR A 39 -9.089 12.716 1.310 1.00 0.44 C ATOM 570 C THR A 39 -10.407 12.417 0.609 1.00 0.55 C ATOM 571 O THR A 39 -10.417 11.877 -0.499 1.00 1.42 O ATOM 572 CB THR A 39 -8.270 13.738 0.498 1.00 0.52 C ATOM 573 OG1 THR A 39 -7.739 13.110 -0.679 1.00 1.60 O ATOM 574 CG2 THR A 39 -7.130 14.298 1.335 1.00 1.46 C ATOM 0 H THR A 39 -7.569 11.385 0.821 1.00 0.30 H new ATOM 0 HA THR A 39 -9.293 13.145 2.291 1.00 0.44 H new ATOM 0 HB THR A 39 -8.928 14.558 0.210 1.00 0.52 H new ATOM 0 HG1 THR A 39 -8.402 12.488 -1.046 1.00 1.60 H new ATOM 0 HG21 THR A 39 -6.564 15.018 0.744 1.00 1.46 H new ATOM 0 HG22 THR A 39 -7.536 14.793 2.218 1.00 1.46 H new ATOM 0 HG23 THR A 39 -6.473 13.486 1.644 1.00 1.46 H new ATOM 582 N GLY A 40 -11.508 12.723 1.272 1.00 0.61 N ATOM 583 CA GLY A 40 -12.808 12.437 0.714 1.00 0.56 C ATOM 584 C GLY A 40 -13.870 12.332 1.786 1.00 0.66 C ATOM 585 O GLY A 40 -13.590 12.570 2.963 1.00 1.16 O ATOM 0 H GLY A 40 -11.524 13.166 2.191 1.00 0.61 H new ATOM 0 HA2 GLY A 40 -13.081 13.221 0.008 1.00 0.56 H new ATOM 0 HA3 GLY A 40 -12.765 11.504 0.153 1.00 0.56 H new ATOM 589 N THR A 41 -15.080 11.971 1.387 1.00 0.46 N ATOM 590 CA THR A 41 -16.199 11.876 2.316 1.00 0.53 C ATOM 591 C THR A 41 -17.057 10.639 2.043 1.00 0.46 C ATOM 592 O THR A 41 -18.248 10.612 2.357 1.00 0.75 O ATOM 593 CB THR A 41 -17.083 13.139 2.250 1.00 0.71 C ATOM 594 OG1 THR A 41 -17.217 13.575 0.889 1.00 1.41 O ATOM 595 CG2 THR A 41 -16.499 14.264 3.093 1.00 1.53 C ATOM 0 H THR A 41 -15.314 11.738 0.422 1.00 0.46 H new ATOM 0 HA THR A 41 -15.773 11.788 3.315 1.00 0.53 H new ATOM 0 HB THR A 41 -18.064 12.884 2.650 1.00 0.71 H new ATOM 0 HG1 THR A 41 -17.781 14.376 0.856 1.00 1.41 H new ATOM 0 HG21 THR A 41 -17.144 15.141 3.027 1.00 1.53 H new ATOM 0 HG22 THR A 41 -16.430 13.942 4.132 1.00 1.53 H new ATOM 0 HG23 THR A 41 -15.505 14.516 2.725 1.00 1.53 H new ATOM 603 N GLN A 42 -16.450 9.617 1.456 1.00 0.41 N ATOM 604 CA GLN A 42 -17.163 8.380 1.159 1.00 0.35 C ATOM 605 C GLN A 42 -16.806 7.286 2.166 1.00 0.29 C ATOM 606 O GLN A 42 -15.679 7.229 2.663 1.00 0.31 O ATOM 607 CB GLN A 42 -16.851 7.916 -0.265 1.00 0.39 C ATOM 608 CG GLN A 42 -17.503 8.771 -1.343 1.00 0.59 C ATOM 609 CD GLN A 42 -19.019 8.739 -1.281 1.00 1.37 C ATOM 610 OE1 GLN A 42 -19.643 9.542 -0.589 1.00 1.89 O ATOM 611 NE2 GLN A 42 -19.622 7.822 -2.016 1.00 2.08 N ATOM 0 H GLN A 42 -15.469 9.618 1.176 1.00 0.41 H new ATOM 0 HA GLN A 42 -18.232 8.577 1.238 1.00 0.35 H new ATOM 0 HB2 GLN A 42 -15.771 7.923 -0.412 1.00 0.39 H new ATOM 0 HB3 GLN A 42 -17.182 6.884 -0.382 1.00 0.39 H new ATOM 0 HG2 GLN A 42 -17.161 9.801 -1.240 1.00 0.59 H new ATOM 0 HG3 GLN A 42 -17.176 8.423 -2.323 1.00 0.59 H new ATOM 0 HE21 GLN A 42 -19.069 7.174 -2.577 1.00 2.08 H new ATOM 0 HE22 GLN A 42 -20.640 7.762 -2.023 1.00 2.08 H new ATOM 620 N PRO A 43 -17.777 6.411 2.483 1.00 0.32 N ATOM 621 CA PRO A 43 -17.598 5.335 3.468 1.00 0.35 C ATOM 622 C PRO A 43 -16.696 4.211 2.956 1.00 0.31 C ATOM 623 O PRO A 43 -16.674 3.904 1.757 1.00 0.29 O ATOM 624 CB PRO A 43 -19.024 4.822 3.685 1.00 0.47 C ATOM 625 CG PRO A 43 -19.718 5.107 2.399 1.00 0.49 C ATOM 626 CD PRO A 43 -19.137 6.406 1.907 1.00 0.40 C ATOM 0 HA PRO A 43 -17.111 5.690 4.376 1.00 0.35 H new ATOM 0 HB2 PRO A 43 -19.033 3.756 3.914 1.00 0.47 H new ATOM 0 HB3 PRO A 43 -19.507 5.331 4.519 1.00 0.47 H new ATOM 0 HG2 PRO A 43 -19.554 4.306 1.678 1.00 0.49 H new ATOM 0 HG3 PRO A 43 -20.795 5.189 2.544 1.00 0.49 H new ATOM 0 HD2 PRO A 43 -19.113 6.449 0.818 1.00 0.40 H new ATOM 0 HD3 PRO A 43 -19.721 7.262 2.247 1.00 0.40 H new ATOM 634 N LYS A 44 -15.981 3.581 3.885 1.00 0.33 N ATOM 635 CA LYS A 44 -14.973 2.574 3.556 1.00 0.34 C ATOM 636 C LYS A 44 -15.605 1.294 3.011 1.00 0.36 C ATOM 637 O LYS A 44 -14.911 0.432 2.478 1.00 0.44 O ATOM 638 CB LYS A 44 -14.126 2.248 4.794 1.00 0.43 C ATOM 639 CG LYS A 44 -14.885 1.506 5.885 1.00 0.49 C ATOM 640 CD LYS A 44 -14.041 1.328 7.137 1.00 0.66 C ATOM 641 CE LYS A 44 -14.779 0.525 8.196 1.00 1.06 C ATOM 642 NZ LYS A 44 -14.011 0.432 9.464 1.00 1.82 N1+ ATOM 0 H LYS A 44 -16.083 3.753 4.885 1.00 0.33 H new ATOM 0 HA LYS A 44 -14.336 2.992 2.776 1.00 0.34 H new ATOM 0 HB2 LYS A 44 -13.270 1.647 4.488 1.00 0.43 H new ATOM 0 HB3 LYS A 44 -13.732 3.177 5.207 1.00 0.43 H new ATOM 0 HG2 LYS A 44 -15.793 2.055 6.134 1.00 0.49 H new ATOM 0 HG3 LYS A 44 -15.194 0.529 5.513 1.00 0.49 H new ATOM 0 HD2 LYS A 44 -13.109 0.824 6.880 1.00 0.66 H new ATOM 0 HD3 LYS A 44 -13.775 2.305 7.540 1.00 0.66 H new ATOM 0 HE2 LYS A 44 -15.746 0.987 8.392 1.00 1.06 H new ATOM 0 HE3 LYS A 44 -14.976 -0.478 7.818 1.00 1.06 H new ATOM 0 HZ1 LYS A 44 -14.551 -0.124 10.157 1.00 1.82 H new ATOM 0 HZ2 LYS A 44 -13.098 -0.033 9.284 1.00 1.82 H new ATOM 0 HZ3 LYS A 44 -13.845 1.387 9.840 1.00 1.82 H new ATOM 656 N ALA A 45 -16.919 1.183 3.150 1.00 0.40 N ATOM 657 CA ALA A 45 -17.647 0.009 2.690 1.00 0.46 C ATOM 658 C ALA A 45 -17.583 -0.134 1.172 1.00 0.48 C ATOM 659 O ALA A 45 -17.613 -1.245 0.641 1.00 0.58 O ATOM 660 CB ALA A 45 -19.094 0.080 3.149 1.00 0.59 C ATOM 0 H ALA A 45 -17.506 1.897 3.581 1.00 0.40 H new ATOM 0 HA ALA A 45 -17.172 -0.870 3.126 1.00 0.46 H new ATOM 0 HB1 ALA A 45 -19.630 -0.803 2.800 1.00 0.59 H new ATOM 0 HB2 ALA A 45 -19.129 0.119 4.238 1.00 0.59 H new ATOM 0 HB3 ALA A 45 -19.562 0.975 2.739 1.00 0.59 H new ATOM 666 N SER A 46 -17.492 0.989 0.477 1.00 0.49 N ATOM 667 CA SER A 46 -17.476 0.973 -0.977 1.00 0.63 C ATOM 668 C SER A 46 -16.302 1.785 -1.518 1.00 0.47 C ATOM 669 O SER A 46 -15.716 1.433 -2.541 1.00 0.61 O ATOM 670 CB SER A 46 -18.800 1.514 -1.521 1.00 0.83 C ATOM 671 OG SER A 46 -18.882 1.373 -2.930 1.00 1.51 O ATOM 0 H SER A 46 -17.428 1.918 0.893 1.00 0.49 H new ATOM 0 HA SER A 46 -17.353 -0.057 -1.310 1.00 0.63 H new ATOM 0 HB2 SER A 46 -19.630 0.985 -1.053 1.00 0.83 H new ATOM 0 HB3 SER A 46 -18.901 2.566 -1.253 1.00 0.83 H new ATOM 0 HG SER A 46 -19.740 1.727 -3.245 1.00 1.51 H new ATOM 677 N MET A 47 -15.957 2.866 -0.828 1.00 0.27 N ATOM 678 CA MET A 47 -14.847 3.708 -1.249 1.00 0.21 C ATOM 679 C MET A 47 -13.771 3.717 -0.172 1.00 0.17 C ATOM 680 O MET A 47 -13.294 4.772 0.264 1.00 0.19 O ATOM 681 CB MET A 47 -15.332 5.130 -1.541 1.00 0.29 C ATOM 682 CG MET A 47 -14.305 5.997 -2.261 1.00 0.42 C ATOM 683 SD MET A 47 -13.799 5.315 -3.853 1.00 1.13 S ATOM 684 CE MET A 47 -15.364 5.260 -4.724 1.00 0.81 C ATOM 0 H MET A 47 -16.428 3.178 0.021 1.00 0.27 H new ATOM 0 HA MET A 47 -14.422 3.302 -2.167 1.00 0.21 H new ATOM 0 HB2 MET A 47 -16.237 5.078 -2.146 1.00 0.29 H new ATOM 0 HB3 MET A 47 -15.604 5.611 -0.601 1.00 0.29 H new ATOM 0 HG2 MET A 47 -14.722 6.993 -2.414 1.00 0.42 H new ATOM 0 HG3 MET A 47 -13.427 6.113 -1.626 1.00 0.42 H new ATOM 0 HE1 MET A 47 -15.224 5.612 -5.746 1.00 0.81 H new ATOM 0 HE2 MET A 47 -15.735 4.235 -4.741 1.00 0.81 H new ATOM 0 HE3 MET A 47 -16.086 5.899 -4.216 1.00 0.81 H new ATOM 694 N GLY A 48 -13.423 2.526 0.278 1.00 0.14 N ATOM 695 CA GLY A 48 -12.351 2.381 1.230 1.00 0.12 C ATOM 696 C GLY A 48 -11.044 2.170 0.520 1.00 0.11 C ATOM 697 O GLY A 48 -11.022 1.657 -0.600 1.00 0.13 O ATOM 0 H GLY A 48 -13.868 1.652 -0.002 1.00 0.14 H new ATOM 0 HA2 GLY A 48 -12.291 3.270 1.858 1.00 0.12 H new ATOM 0 HA3 GLY A 48 -12.554 1.537 1.890 1.00 0.12 H new ATOM 701 N HIS A 49 -9.951 2.578 1.141 1.00 0.11 N ATOM 702 CA HIS A 49 -8.643 2.420 0.520 1.00 0.11 C ATOM 703 C HIS A 49 -7.653 1.829 1.509 1.00 0.12 C ATOM 704 O HIS A 49 -7.759 2.049 2.720 1.00 0.15 O ATOM 705 CB HIS A 49 -8.099 3.755 -0.018 1.00 0.12 C ATOM 706 CG HIS A 49 -8.937 4.394 -1.091 1.00 0.12 C ATOM 707 ND1 HIS A 49 -9.243 3.745 -2.268 1.00 0.13 N ATOM 708 CD2 HIS A 49 -9.494 5.628 -1.112 1.00 0.13 C ATOM 709 CE1 HIS A 49 -9.974 4.596 -2.966 1.00 0.14 C ATOM 710 NE2 HIS A 49 -10.151 5.751 -2.310 1.00 0.14 N ATOM 0 H HIS A 49 -9.939 3.016 2.062 1.00 0.11 H new ATOM 0 HA HIS A 49 -8.767 1.740 -0.323 1.00 0.11 H new ATOM 0 HB2 HIS A 49 -8.005 4.454 0.813 1.00 0.12 H new ATOM 0 HB3 HIS A 49 -7.096 3.590 -0.411 1.00 0.12 H new ATOM 0 HD2 HIS A 49 -9.433 6.374 -0.333 1.00 0.13 H new ATOM 0 HE1 HIS A 49 -10.379 4.386 -3.945 1.00 0.14 H new ATOM 0 HE2 HIS A 49 -10.673 6.564 -2.638 1.00 0.14 H new ATOM 718 N ASN A 50 -6.710 1.067 0.983 1.00 0.12 N ATOM 719 CA ASN A 50 -5.651 0.467 1.778 1.00 0.19 C ATOM 720 C ASN A 50 -4.391 0.360 0.933 1.00 0.24 C ATOM 721 O ASN A 50 -4.453 -0.039 -0.224 1.00 0.43 O ATOM 722 CB ASN A 50 -6.081 -0.922 2.265 1.00 0.29 C ATOM 723 CG ASN A 50 -4.964 -1.693 2.943 1.00 0.67 C ATOM 724 OD1 ASN A 50 -4.070 -1.118 3.558 1.00 1.48 O ATOM 725 ND2 ASN A 50 -5.011 -3.007 2.832 1.00 0.69 N ATOM 0 H ASN A 50 -6.656 0.846 -0.011 1.00 0.12 H new ATOM 0 HA ASN A 50 -5.451 1.092 2.648 1.00 0.19 H new ATOM 0 HB2 ASN A 50 -6.913 -0.814 2.961 1.00 0.29 H new ATOM 0 HB3 ASN A 50 -6.448 -1.499 1.416 1.00 0.29 H new ATOM 0 HD21 ASN A 50 -4.288 -3.582 3.265 1.00 0.69 H new ATOM 0 HD22 ASN A 50 -5.770 -3.448 2.313 1.00 0.69 H new ATOM 732 N LEU A 51 -3.256 0.718 1.503 1.00 0.17 N ATOM 733 CA LEU A 51 -1.999 0.651 0.782 1.00 0.17 C ATOM 734 C LEU A 51 -1.168 -0.512 1.311 1.00 0.17 C ATOM 735 O LEU A 51 -0.743 -0.517 2.468 1.00 0.20 O ATOM 736 CB LEU A 51 -1.241 1.984 0.905 1.00 0.18 C ATOM 737 CG LEU A 51 -0.018 2.148 -0.011 1.00 0.20 C ATOM 738 CD1 LEU A 51 0.205 3.616 -0.341 1.00 0.20 C ATOM 739 CD2 LEU A 51 1.231 1.572 0.644 1.00 0.22 C ATOM 0 H LEU A 51 -3.178 1.058 2.462 1.00 0.17 H new ATOM 0 HA LEU A 51 -2.195 0.480 -0.276 1.00 0.17 H new ATOM 0 HB2 LEU A 51 -1.938 2.796 0.697 1.00 0.18 H new ATOM 0 HB3 LEU A 51 -0.915 2.100 1.939 1.00 0.18 H new ATOM 0 HG LEU A 51 -0.213 1.601 -0.933 1.00 0.20 H new ATOM 0 HD11 LEU A 51 1.075 3.715 -0.990 1.00 0.20 H new ATOM 0 HD12 LEU A 51 -0.674 4.012 -0.849 1.00 0.20 H new ATOM 0 HD13 LEU A 51 0.374 4.174 0.580 1.00 0.20 H new ATOM 0 HD21 LEU A 51 2.084 1.700 -0.023 1.00 0.22 H new ATOM 0 HD22 LEU A 51 1.423 2.093 1.582 1.00 0.22 H new ATOM 0 HD23 LEU A 51 1.081 0.511 0.842 1.00 0.22 H new ATOM 751 N VAL A 52 -0.977 -1.512 0.468 1.00 0.17 N ATOM 752 CA VAL A 52 -0.186 -2.677 0.829 1.00 0.20 C ATOM 753 C VAL A 52 1.121 -2.694 0.042 1.00 0.22 C ATOM 754 O VAL A 52 1.171 -2.255 -1.110 1.00 0.30 O ATOM 755 CB VAL A 52 -0.973 -3.991 0.580 1.00 0.25 C ATOM 756 CG1 VAL A 52 -1.218 -4.207 -0.902 1.00 1.25 C ATOM 757 CG2 VAL A 52 -0.253 -5.193 1.177 1.00 1.46 C ATOM 0 H VAL A 52 -1.361 -1.541 -0.477 1.00 0.17 H new ATOM 0 HA VAL A 52 0.038 -2.612 1.894 1.00 0.20 H new ATOM 0 HB VAL A 52 -1.937 -3.891 1.079 1.00 0.25 H new ATOM 0 HG11 VAL A 52 -1.771 -5.135 -1.048 1.00 1.25 H new ATOM 0 HG12 VAL A 52 -1.796 -3.373 -1.301 1.00 1.25 H new ATOM 0 HG13 VAL A 52 -0.263 -4.268 -1.424 1.00 1.25 H new ATOM 0 HG21 VAL A 52 -0.832 -6.096 0.984 1.00 1.46 H new ATOM 0 HG22 VAL A 52 0.733 -5.290 0.722 1.00 1.46 H new ATOM 0 HG23 VAL A 52 -0.144 -5.055 2.253 1.00 1.46 H new ATOM 767 N ILE A 53 2.178 -3.180 0.677 1.00 0.21 N ATOM 768 CA ILE A 53 3.475 -3.297 0.029 1.00 0.23 C ATOM 769 C ILE A 53 3.827 -4.770 -0.153 1.00 0.19 C ATOM 770 O ILE A 53 3.920 -5.521 0.824 1.00 0.20 O ATOM 771 CB ILE A 53 4.587 -2.599 0.852 1.00 0.31 C ATOM 772 CG1 ILE A 53 4.279 -1.106 1.039 1.00 0.45 C ATOM 773 CG2 ILE A 53 5.946 -2.775 0.179 1.00 0.30 C ATOM 774 CD1 ILE A 53 4.380 -0.293 -0.233 1.00 0.51 C ATOM 0 H ILE A 53 2.161 -3.501 1.645 1.00 0.21 H new ATOM 0 HA ILE A 53 3.411 -2.805 -0.941 1.00 0.23 H new ATOM 0 HB ILE A 53 4.619 -3.069 1.835 1.00 0.31 H new ATOM 0 HG12 ILE A 53 3.273 -1.001 1.446 1.00 0.45 H new ATOM 0 HG13 ILE A 53 4.966 -0.693 1.777 1.00 0.45 H new ATOM 0 HG21 ILE A 53 6.713 -2.278 0.773 1.00 0.30 H new ATOM 0 HG22 ILE A 53 6.179 -3.837 0.102 1.00 0.30 H new ATOM 0 HG23 ILE A 53 5.918 -2.336 -0.818 1.00 0.30 H new ATOM 0 HD11 ILE A 53 4.148 0.750 -0.018 1.00 0.51 H new ATOM 0 HD12 ILE A 53 5.392 -0.365 -0.631 1.00 0.51 H new ATOM 0 HD13 ILE A 53 3.673 -0.678 -0.968 1.00 0.51 H new ATOM 786 N ALA A 54 4.000 -5.179 -1.402 1.00 0.22 N ATOM 787 CA ALA A 54 4.332 -6.560 -1.723 1.00 0.27 C ATOM 788 C ALA A 54 5.016 -6.635 -3.081 1.00 0.31 C ATOM 789 O ALA A 54 5.054 -5.646 -3.816 1.00 0.30 O ATOM 790 CB ALA A 54 3.075 -7.420 -1.715 1.00 0.32 C ATOM 0 H ALA A 54 3.915 -4.569 -2.215 1.00 0.22 H new ATOM 0 HA ALA A 54 5.018 -6.940 -0.966 1.00 0.27 H new ATOM 0 HB1 ALA A 54 3.337 -8.450 -1.957 1.00 0.32 H new ATOM 0 HB2 ALA A 54 2.616 -7.385 -0.727 1.00 0.32 H new ATOM 0 HB3 ALA A 54 2.371 -7.042 -2.456 1.00 0.32 H new ATOM 796 N LYS A 55 5.560 -7.799 -3.411 1.00 0.43 N ATOM 797 CA LYS A 55 6.210 -7.991 -4.699 1.00 0.52 C ATOM 798 C LYS A 55 5.191 -7.982 -5.829 1.00 0.53 C ATOM 799 O LYS A 55 4.063 -8.440 -5.649 1.00 0.64 O ATOM 800 CB LYS A 55 7.005 -9.299 -4.731 1.00 0.69 C ATOM 801 CG LYS A 55 8.269 -9.267 -3.889 1.00 1.04 C ATOM 802 CD LYS A 55 9.071 -10.556 -4.011 1.00 1.03 C ATOM 803 CE LYS A 55 9.411 -10.873 -5.462 1.00 1.01 C ATOM 804 NZ LYS A 55 10.428 -11.950 -5.575 1.00 1.46 N1+ ATOM 0 H LYS A 55 5.564 -8.621 -2.807 1.00 0.43 H new ATOM 0 HA LYS A 55 6.902 -7.161 -4.840 1.00 0.52 H new ATOM 0 HB2 LYS A 55 6.367 -10.110 -4.381 1.00 0.69 H new ATOM 0 HB3 LYS A 55 7.272 -9.526 -5.763 1.00 0.69 H new ATOM 0 HG2 LYS A 55 8.888 -8.425 -4.197 1.00 1.04 H new ATOM 0 HG3 LYS A 55 8.004 -9.103 -2.844 1.00 1.04 H new ATOM 0 HD2 LYS A 55 9.991 -10.469 -3.433 1.00 1.03 H new ATOM 0 HD3 LYS A 55 8.502 -11.381 -3.582 1.00 1.03 H new ATOM 0 HE2 LYS A 55 8.505 -11.173 -5.989 1.00 1.01 H new ATOM 0 HE3 LYS A 55 9.781 -9.973 -5.952 1.00 1.01 H new ATOM 0 HZ1 LYS A 55 10.342 -12.413 -6.503 1.00 1.46 H new ATOM 0 HZ2 LYS A 55 11.379 -11.541 -5.479 1.00 1.46 H new ATOM 0 HZ3 LYS A 55 10.275 -12.652 -4.823 1.00 1.46 H new ATOM 818 N ALA A 56 5.588 -7.462 -6.981 1.00 0.49 N ATOM 819 CA ALA A 56 4.698 -7.376 -8.135 1.00 0.52 C ATOM 820 C ALA A 56 4.072 -8.729 -8.453 1.00 0.61 C ATOM 821 O ALA A 56 2.846 -8.864 -8.501 1.00 0.77 O ATOM 822 CB ALA A 56 5.459 -6.850 -9.341 1.00 0.53 C ATOM 0 H ALA A 56 6.524 -7.091 -7.144 1.00 0.49 H new ATOM 0 HA ALA A 56 3.892 -6.684 -7.891 1.00 0.52 H new ATOM 0 HB1 ALA A 56 4.787 -6.789 -10.197 1.00 0.53 H new ATOM 0 HB2 ALA A 56 5.853 -5.859 -9.118 1.00 0.53 H new ATOM 0 HB3 ALA A 56 6.283 -7.524 -9.574 1.00 0.53 H new ATOM 828 N GLU A 57 4.921 -9.735 -8.622 1.00 0.65 N ATOM 829 CA GLU A 57 4.473 -11.073 -8.997 1.00 0.79 C ATOM 830 C GLU A 57 3.702 -11.754 -7.867 1.00 0.71 C ATOM 831 O GLU A 57 3.023 -12.758 -8.084 1.00 0.77 O ATOM 832 CB GLU A 57 5.670 -11.941 -9.383 1.00 1.01 C ATOM 833 CG GLU A 57 6.649 -12.170 -8.245 1.00 1.69 C ATOM 834 CD GLU A 57 7.679 -13.221 -8.572 1.00 2.26 C ATOM 835 OE1 GLU A 57 7.364 -14.420 -8.440 1.00 2.89 O ATOM 836 OE2 GLU A 57 8.812 -12.860 -8.949 1.00 2.58 O1- ATOM 0 H GLU A 57 5.931 -9.650 -8.505 1.00 0.65 H new ATOM 0 HA GLU A 57 3.802 -10.962 -9.849 1.00 0.79 H new ATOM 0 HB2 GLU A 57 5.308 -12.906 -9.739 1.00 1.01 H new ATOM 0 HB3 GLU A 57 6.196 -11.471 -10.214 1.00 1.01 H new ATOM 0 HG2 GLU A 57 7.153 -11.233 -8.010 1.00 1.69 H new ATOM 0 HG3 GLU A 57 6.100 -12.469 -7.352 1.00 1.69 H new ATOM 843 N ASP A 58 3.802 -11.206 -6.667 1.00 0.66 N ATOM 844 CA ASP A 58 3.201 -11.829 -5.498 1.00 0.71 C ATOM 845 C ASP A 58 1.877 -11.151 -5.165 1.00 0.65 C ATOM 846 O ASP A 58 1.112 -11.621 -4.323 1.00 0.65 O ATOM 847 CB ASP A 58 4.165 -11.755 -4.314 1.00 0.88 C ATOM 848 CG ASP A 58 3.786 -12.689 -3.182 1.00 1.36 C ATOM 849 OD1 ASP A 58 3.301 -13.802 -3.468 1.00 1.46 O ATOM 850 OD2 ASP A 58 3.946 -12.304 -2.002 1.00 2.15 O1- ATOM 0 H ASP A 58 4.293 -10.332 -6.476 1.00 0.66 H new ATOM 0 HA ASP A 58 3.001 -12.879 -5.714 1.00 0.71 H new ATOM 0 HB2 ASP A 58 5.171 -11.997 -4.656 1.00 0.88 H new ATOM 0 HB3 ASP A 58 4.194 -10.732 -3.939 1.00 0.88 H new ATOM 855 N MET A 59 1.606 -10.050 -5.864 1.00 0.64 N ATOM 856 CA MET A 59 0.367 -9.298 -5.680 1.00 0.64 C ATOM 857 C MET A 59 -0.853 -10.160 -5.956 1.00 0.60 C ATOM 858 O MET A 59 -1.897 -9.988 -5.330 1.00 0.57 O ATOM 859 CB MET A 59 0.338 -8.060 -6.580 1.00 0.78 C ATOM 860 CG MET A 59 0.999 -6.846 -5.957 1.00 0.58 C ATOM 861 SD MET A 59 0.160 -6.316 -4.452 1.00 0.65 S ATOM 862 CE MET A 59 1.136 -4.886 -4.004 1.00 0.35 C ATOM 0 H MET A 59 2.232 -9.658 -6.567 1.00 0.64 H new ATOM 0 HA MET A 59 0.337 -8.980 -4.638 1.00 0.64 H new ATOM 0 HB2 MET A 59 0.836 -8.293 -7.521 1.00 0.78 H new ATOM 0 HB3 MET A 59 -0.698 -7.818 -6.819 1.00 0.78 H new ATOM 0 HG2 MET A 59 2.040 -7.077 -5.729 1.00 0.58 H new ATOM 0 HG3 MET A 59 1.004 -6.027 -6.676 1.00 0.58 H new ATOM 0 HE1 MET A 59 1.293 -4.876 -2.925 1.00 0.35 H new ATOM 0 HE2 MET A 59 2.100 -4.930 -4.510 1.00 0.35 H new ATOM 0 HE3 MET A 59 0.611 -3.979 -4.303 1.00 0.35 H new ATOM 872 N ASP A 60 -0.713 -11.096 -6.888 1.00 0.65 N ATOM 873 CA ASP A 60 -1.806 -11.998 -7.237 1.00 0.72 C ATOM 874 C ASP A 60 -2.273 -12.777 -6.017 1.00 0.67 C ATOM 875 O ASP A 60 -3.474 -12.923 -5.784 1.00 0.70 O ATOM 876 CB ASP A 60 -1.378 -12.964 -8.343 1.00 0.87 C ATOM 877 CG ASP A 60 -1.222 -12.276 -9.681 1.00 1.41 C ATOM 878 OD1 ASP A 60 -2.245 -11.991 -10.340 1.00 1.42 O1- ATOM 879 OD2 ASP A 60 -0.071 -12.009 -10.080 1.00 2.27 O ATOM 0 H ASP A 60 0.146 -11.251 -7.416 1.00 0.65 H new ATOM 0 HA ASP A 60 -2.636 -11.393 -7.603 1.00 0.72 H new ATOM 0 HB2 ASP A 60 -0.434 -13.433 -8.067 1.00 0.87 H new ATOM 0 HB3 ASP A 60 -2.116 -13.761 -8.431 1.00 0.87 H new ATOM 884 N GLY A 61 -1.321 -13.258 -5.229 1.00 0.65 N ATOM 885 CA GLY A 61 -1.656 -13.983 -4.021 1.00 0.66 C ATOM 886 C GLY A 61 -2.222 -13.069 -2.954 1.00 0.59 C ATOM 887 O GLY A 61 -3.053 -13.482 -2.144 1.00 0.63 O ATOM 0 H GLY A 61 -0.321 -13.158 -5.406 1.00 0.65 H new ATOM 0 HA2 GLY A 61 -2.382 -14.762 -4.254 1.00 0.66 H new ATOM 0 HA3 GLY A 61 -0.766 -14.481 -3.638 1.00 0.66 H new ATOM 891 N VAL A 62 -1.776 -11.820 -2.958 1.00 0.52 N ATOM 892 CA VAL A 62 -2.247 -10.837 -1.995 1.00 0.48 C ATOM 893 C VAL A 62 -3.697 -10.458 -2.278 1.00 0.45 C ATOM 894 O VAL A 62 -4.521 -10.426 -1.368 1.00 0.46 O ATOM 895 CB VAL A 62 -1.364 -9.568 -2.001 1.00 0.48 C ATOM 896 CG1 VAL A 62 -1.877 -8.546 -0.997 1.00 0.46 C ATOM 897 CG2 VAL A 62 0.085 -9.919 -1.698 1.00 0.55 C ATOM 0 H VAL A 62 -1.087 -11.464 -3.620 1.00 0.52 H new ATOM 0 HA VAL A 62 -2.182 -11.293 -1.007 1.00 0.48 H new ATOM 0 HB VAL A 62 -1.415 -9.129 -2.997 1.00 0.48 H new ATOM 0 HG11 VAL A 62 -1.240 -7.662 -1.020 1.00 0.46 H new ATOM 0 HG12 VAL A 62 -2.898 -8.264 -1.254 1.00 0.46 H new ATOM 0 HG13 VAL A 62 -1.861 -8.979 0.003 1.00 0.46 H new ATOM 0 HG21 VAL A 62 0.689 -9.012 -1.707 1.00 0.55 H new ATOM 0 HG22 VAL A 62 0.148 -10.387 -0.716 1.00 0.55 H new ATOM 0 HG23 VAL A 62 0.458 -10.610 -2.454 1.00 0.55 H new ATOM 907 N PHE A 63 -4.010 -10.192 -3.544 1.00 0.45 N ATOM 908 CA PHE A 63 -5.373 -9.834 -3.931 1.00 0.45 C ATOM 909 C PHE A 63 -6.324 -11.012 -3.738 1.00 0.49 C ATOM 910 O PHE A 63 -7.422 -10.848 -3.209 1.00 0.53 O ATOM 911 CB PHE A 63 -5.441 -9.357 -5.390 1.00 0.47 C ATOM 912 CG PHE A 63 -4.719 -8.063 -5.653 1.00 0.39 C ATOM 913 CD1 PHE A 63 -4.955 -6.948 -4.861 1.00 0.31 C ATOM 914 CD2 PHE A 63 -3.799 -7.962 -6.685 1.00 0.48 C ATOM 915 CE1 PHE A 63 -4.288 -5.762 -5.095 1.00 0.30 C ATOM 916 CE2 PHE A 63 -3.131 -6.776 -6.923 1.00 0.46 C ATOM 917 CZ PHE A 63 -3.394 -5.670 -6.151 1.00 0.35 C ATOM 0 H PHE A 63 -3.343 -10.217 -4.315 1.00 0.45 H new ATOM 0 HA PHE A 63 -5.681 -9.014 -3.283 1.00 0.45 H new ATOM 0 HB2 PHE A 63 -5.021 -10.131 -6.033 1.00 0.47 H new ATOM 0 HB3 PHE A 63 -6.487 -9.240 -5.673 1.00 0.47 H new ATOM 0 HD1 PHE A 63 -5.668 -7.009 -4.052 1.00 0.31 H new ATOM 0 HD2 PHE A 63 -3.602 -8.820 -7.310 1.00 0.48 H new ATOM 0 HE1 PHE A 63 -4.462 -4.908 -4.457 1.00 0.30 H new ATOM 0 HE2 PHE A 63 -2.401 -6.718 -7.717 1.00 0.46 H new ATOM 0 HZ PHE A 63 -2.905 -4.731 -6.366 1.00 0.35 H new ATOM 927 N LYS A 64 -5.890 -12.201 -4.153 1.00 0.51 N ATOM 928 CA LYS A 64 -6.733 -13.393 -4.088 1.00 0.57 C ATOM 929 C LYS A 64 -7.167 -13.688 -2.656 1.00 0.57 C ATOM 930 O LYS A 64 -8.360 -13.803 -2.370 1.00 0.61 O ATOM 931 CB LYS A 64 -5.990 -14.600 -4.669 1.00 0.67 C ATOM 932 CG LYS A 64 -6.752 -15.911 -4.535 1.00 1.35 C ATOM 933 CD LYS A 64 -5.966 -17.080 -5.107 1.00 1.76 C ATOM 934 CE LYS A 64 -5.791 -16.959 -6.612 1.00 2.16 C ATOM 935 NZ LYS A 64 -7.096 -16.950 -7.329 1.00 3.03 N1+ ATOM 0 H LYS A 64 -4.960 -12.364 -4.538 1.00 0.51 H new ATOM 0 HA LYS A 64 -7.628 -13.202 -4.681 1.00 0.57 H new ATOM 0 HB2 LYS A 64 -5.785 -14.416 -5.723 1.00 0.67 H new ATOM 0 HB3 LYS A 64 -5.026 -14.697 -4.169 1.00 0.67 H new ATOM 0 HG2 LYS A 64 -6.970 -16.099 -3.484 1.00 1.35 H new ATOM 0 HG3 LYS A 64 -7.709 -15.830 -5.050 1.00 1.35 H new ATOM 0 HD2 LYS A 64 -4.987 -17.128 -4.630 1.00 1.76 H new ATOM 0 HD3 LYS A 64 -6.480 -18.012 -4.875 1.00 1.76 H new ATOM 0 HE2 LYS A 64 -5.246 -16.043 -6.841 1.00 2.16 H new ATOM 0 HE3 LYS A 64 -5.185 -17.789 -6.974 1.00 2.16 H new ATOM 0 HZ1 LYS A 64 -6.937 -17.122 -8.342 1.00 3.03 H new ATOM 0 HZ2 LYS A 64 -7.709 -17.696 -6.944 1.00 3.03 H new ATOM 0 HZ3 LYS A 64 -7.555 -16.025 -7.203 1.00 3.03 H new ATOM 949 N ASP A 65 -6.199 -13.801 -1.760 1.00 0.58 N ATOM 950 CA ASP A 65 -6.493 -14.091 -0.361 1.00 0.62 C ATOM 951 C ASP A 65 -7.018 -12.855 0.348 1.00 0.54 C ATOM 952 O ASP A 65 -7.609 -12.946 1.425 1.00 0.59 O ATOM 953 CB ASP A 65 -5.250 -14.614 0.358 1.00 0.74 C ATOM 954 CG ASP A 65 -4.962 -16.067 0.044 1.00 1.35 C ATOM 955 OD1 ASP A 65 -4.467 -16.348 -1.064 1.00 2.28 O1- ATOM 956 OD2 ASP A 65 -5.230 -16.935 0.898 1.00 1.26 O ATOM 0 H ASP A 65 -5.207 -13.697 -1.973 1.00 0.58 H new ATOM 0 HA ASP A 65 -7.263 -14.862 -0.336 1.00 0.62 H new ATOM 0 HB2 ASP A 65 -4.389 -14.008 0.075 1.00 0.74 H new ATOM 0 HB3 ASP A 65 -5.382 -14.498 1.434 1.00 0.74 H new ATOM 961 N GLY A 66 -6.806 -11.704 -0.271 1.00 0.50 N ATOM 962 CA GLY A 66 -7.229 -10.454 0.314 1.00 0.47 C ATOM 963 C GLY A 66 -8.728 -10.269 0.249 1.00 0.43 C ATOM 964 O GLY A 66 -9.347 -9.845 1.222 1.00 0.40 O ATOM 0 H GLY A 66 -6.344 -11.616 -1.176 1.00 0.50 H new ATOM 0 HA2 GLY A 66 -6.905 -10.414 1.354 1.00 0.47 H new ATOM 0 HA3 GLY A 66 -6.740 -9.629 -0.204 1.00 0.47 H new ATOM 968 N VAL A 67 -9.315 -10.610 -0.894 1.00 0.49 N ATOM 969 CA VAL A 67 -10.755 -10.476 -1.090 1.00 0.52 C ATOM 970 C VAL A 67 -11.527 -11.291 -0.048 1.00 0.52 C ATOM 971 O VAL A 67 -12.635 -10.928 0.348 1.00 0.59 O ATOM 972 CB VAL A 67 -11.172 -10.919 -2.513 1.00 0.66 C ATOM 973 CG1 VAL A 67 -12.673 -10.771 -2.720 1.00 1.04 C ATOM 974 CG2 VAL A 67 -10.417 -10.119 -3.566 1.00 0.92 C ATOM 0 H VAL A 67 -8.814 -10.982 -1.701 1.00 0.49 H new ATOM 0 HA VAL A 67 -11.002 -9.421 -0.968 1.00 0.52 H new ATOM 0 HB VAL A 67 -10.916 -11.973 -2.620 1.00 0.66 H new ATOM 0 HG11 VAL A 67 -12.934 -11.090 -3.729 1.00 1.04 H new ATOM 0 HG12 VAL A 67 -13.203 -11.389 -1.995 1.00 1.04 H new ATOM 0 HG13 VAL A 67 -12.958 -9.728 -2.584 1.00 1.04 H new ATOM 0 HG21 VAL A 67 -10.724 -10.445 -4.560 1.00 0.92 H new ATOM 0 HG22 VAL A 67 -10.640 -9.059 -3.447 1.00 0.92 H new ATOM 0 HG23 VAL A 67 -9.346 -10.280 -3.446 1.00 0.92 H new ATOM 984 N GLY A 68 -10.918 -12.376 0.415 1.00 0.50 N ATOM 985 CA GLY A 68 -11.551 -13.213 1.414 1.00 0.53 C ATOM 986 C GLY A 68 -11.199 -12.800 2.834 1.00 0.43 C ATOM 987 O GLY A 68 -11.535 -13.497 3.790 1.00 0.51 O ATOM 0 H GLY A 68 -9.995 -12.691 0.115 1.00 0.50 H new ATOM 0 HA2 GLY A 68 -12.633 -13.171 1.285 1.00 0.53 H new ATOM 0 HA3 GLY A 68 -11.252 -14.249 1.257 1.00 0.53 H new ATOM 991 N ALA A 69 -10.526 -11.667 2.976 1.00 0.38 N ATOM 992 CA ALA A 69 -10.127 -11.172 4.287 1.00 0.32 C ATOM 993 C ALA A 69 -10.653 -9.760 4.513 1.00 0.29 C ATOM 994 O ALA A 69 -9.900 -8.850 4.858 1.00 0.31 O ATOM 995 CB ALA A 69 -8.612 -11.203 4.425 1.00 0.35 C ATOM 0 H ALA A 69 -10.244 -11.071 2.197 1.00 0.38 H new ATOM 0 HA ALA A 69 -10.560 -11.823 5.046 1.00 0.32 H new ATOM 0 HB1 ALA A 69 -8.329 -10.830 5.409 1.00 0.35 H new ATOM 0 HB2 ALA A 69 -8.257 -12.227 4.309 1.00 0.35 H new ATOM 0 HB3 ALA A 69 -8.164 -10.574 3.656 1.00 0.35 H new ATOM 1001 N ALA A 70 -11.959 -9.593 4.334 1.00 0.33 N ATOM 1002 CA ALA A 70 -12.599 -8.283 4.414 1.00 0.41 C ATOM 1003 C ALA A 70 -12.350 -7.607 5.757 1.00 0.50 C ATOM 1004 O ALA A 70 -12.138 -6.396 5.825 1.00 0.62 O ATOM 1005 CB ALA A 70 -14.094 -8.416 4.165 1.00 0.52 C ATOM 0 H ALA A 70 -12.602 -10.358 4.130 1.00 0.33 H new ATOM 0 HA ALA A 70 -12.156 -7.653 3.643 1.00 0.41 H new ATOM 0 HB1 ALA A 70 -14.562 -7.434 4.227 1.00 0.52 H new ATOM 0 HB2 ALA A 70 -14.262 -8.836 3.173 1.00 0.52 H new ATOM 0 HB3 ALA A 70 -14.531 -9.074 4.916 1.00 0.52 H new ATOM 1011 N ASP A 71 -12.353 -8.398 6.818 1.00 0.53 N ATOM 1012 CA ASP A 71 -12.196 -7.871 8.169 1.00 0.70 C ATOM 1013 C ASP A 71 -10.746 -7.496 8.455 1.00 0.64 C ATOM 1014 O ASP A 71 -10.465 -6.743 9.384 1.00 0.84 O ATOM 1015 CB ASP A 71 -12.667 -8.896 9.200 1.00 0.91 C ATOM 1016 CG ASP A 71 -11.739 -10.090 9.300 1.00 1.72 C ATOM 1017 OD1 ASP A 71 -11.910 -11.045 8.515 1.00 2.17 O1- ATOM 1018 OD2 ASP A 71 -10.840 -10.081 10.170 1.00 2.44 O ATOM 0 H ASP A 71 -12.463 -9.411 6.772 1.00 0.53 H new ATOM 0 HA ASP A 71 -12.808 -6.972 8.242 1.00 0.70 H new ATOM 0 HB2 ASP A 71 -12.742 -8.416 10.176 1.00 0.91 H new ATOM 0 HB3 ASP A 71 -13.667 -9.239 8.935 1.00 0.91 H new ATOM 1023 N THR A 72 -9.828 -8.016 7.655 1.00 0.48 N ATOM 1024 CA THR A 72 -8.413 -7.781 7.879 1.00 0.53 C ATOM 1025 C THR A 72 -7.828 -6.923 6.758 1.00 0.65 C ATOM 1026 O THR A 72 -6.815 -7.269 6.157 1.00 1.42 O ATOM 1027 CB THR A 72 -7.640 -9.111 7.985 1.00 0.64 C ATOM 1028 OG1 THR A 72 -8.415 -10.067 8.728 1.00 1.26 O ATOM 1029 CG2 THR A 72 -6.301 -8.902 8.682 1.00 1.46 C ATOM 0 H THR A 72 -10.038 -8.602 6.847 1.00 0.48 H new ATOM 0 HA THR A 72 -8.309 -7.247 8.824 1.00 0.53 H new ATOM 0 HB THR A 72 -7.460 -9.484 6.977 1.00 0.64 H new ATOM 0 HG1 THR A 72 -7.920 -10.911 8.791 1.00 1.26 H new ATOM 0 HG21 THR A 72 -5.772 -9.853 8.746 1.00 1.46 H new ATOM 0 HG22 THR A 72 -5.702 -8.191 8.113 1.00 1.46 H new ATOM 0 HG23 THR A 72 -6.470 -8.512 9.686 1.00 1.46 H new ATOM 1037 N ASP A 73 -8.515 -5.821 6.461 1.00 0.59 N ATOM 1038 CA ASP A 73 -8.053 -4.824 5.484 1.00 0.55 C ATOM 1039 C ASP A 73 -7.863 -5.423 4.096 1.00 0.43 C ATOM 1040 O ASP A 73 -7.156 -4.856 3.260 1.00 0.47 O ATOM 1041 CB ASP A 73 -6.738 -4.176 5.931 1.00 0.69 C ATOM 1042 CG ASP A 73 -6.806 -3.609 7.329 1.00 1.25 C ATOM 1043 OD1 ASP A 73 -7.628 -2.700 7.571 1.00 1.66 O ATOM 1044 OD2 ASP A 73 -6.031 -4.071 8.191 1.00 1.50 O1- ATOM 0 H ASP A 73 -9.411 -5.590 6.890 1.00 0.59 H new ATOM 0 HA ASP A 73 -8.835 -4.066 5.431 1.00 0.55 H new ATOM 0 HB2 ASP A 73 -5.940 -4.917 5.883 1.00 0.69 H new ATOM 0 HB3 ASP A 73 -6.476 -3.380 5.234 1.00 0.69 H new ATOM 1049 N TYR A 74 -8.499 -6.564 3.857 1.00 0.33 N ATOM 1050 CA TYR A 74 -8.356 -7.289 2.601 1.00 0.28 C ATOM 1051 C TYR A 74 -6.900 -7.691 2.357 1.00 0.35 C ATOM 1052 O TYR A 74 -6.402 -7.613 1.235 1.00 0.37 O ATOM 1053 CB TYR A 74 -8.899 -6.471 1.420 1.00 0.32 C ATOM 1054 CG TYR A 74 -10.406 -6.339 1.420 1.00 0.36 C ATOM 1055 CD1 TYR A 74 -11.215 -7.442 1.183 1.00 0.41 C ATOM 1056 CD2 TYR A 74 -11.018 -5.115 1.655 1.00 0.44 C ATOM 1057 CE1 TYR A 74 -12.592 -7.330 1.184 1.00 0.50 C ATOM 1058 CE2 TYR A 74 -12.396 -4.996 1.657 1.00 0.54 C ATOM 1059 CZ TYR A 74 -13.177 -6.106 1.421 1.00 0.57 C ATOM 1060 OH TYR A 74 -14.551 -5.998 1.429 1.00 0.68 O ATOM 0 H TYR A 74 -9.126 -7.011 4.526 1.00 0.33 H new ATOM 0 HA TYR A 74 -8.949 -8.200 2.680 1.00 0.28 H new ATOM 0 HB2 TYR A 74 -8.455 -5.476 1.443 1.00 0.32 H new ATOM 0 HB3 TYR A 74 -8.583 -6.940 0.488 1.00 0.32 H new ATOM 0 HD1 TYR A 74 -10.760 -8.403 0.995 1.00 0.41 H new ATOM 0 HD2 TYR A 74 -10.409 -4.242 1.839 1.00 0.44 H new ATOM 0 HE1 TYR A 74 -13.207 -8.198 1.000 1.00 0.50 H new ATOM 0 HE2 TYR A 74 -12.858 -4.037 1.843 1.00 0.54 H new ATOM 0 HH TYR A 74 -14.805 -5.069 1.612 1.00 0.68 H new ATOM 1070 N VAL A 75 -6.219 -8.101 3.420 1.00 0.45 N ATOM 1071 CA VAL A 75 -4.880 -8.666 3.303 1.00 0.57 C ATOM 1072 C VAL A 75 -4.839 -10.019 4.003 1.00 0.62 C ATOM 1073 O VAL A 75 -5.553 -10.241 4.982 1.00 0.66 O ATOM 1074 CB VAL A 75 -3.781 -7.745 3.895 1.00 0.72 C ATOM 1075 CG1 VAL A 75 -3.784 -6.390 3.207 1.00 1.12 C ATOM 1076 CG2 VAL A 75 -3.929 -7.585 5.401 1.00 1.38 C ATOM 0 H VAL A 75 -6.573 -8.053 4.375 1.00 0.45 H new ATOM 0 HA VAL A 75 -4.669 -8.774 2.239 1.00 0.57 H new ATOM 0 HB VAL A 75 -2.820 -8.225 3.710 1.00 0.72 H new ATOM 0 HG11 VAL A 75 -3.005 -5.761 3.639 1.00 1.12 H new ATOM 0 HG12 VAL A 75 -3.595 -6.522 2.142 1.00 1.12 H new ATOM 0 HG13 VAL A 75 -4.754 -5.913 3.347 1.00 1.12 H new ATOM 0 HG21 VAL A 75 -3.141 -6.933 5.777 1.00 1.38 H new ATOM 0 HG22 VAL A 75 -4.901 -7.146 5.626 1.00 1.38 H new ATOM 0 HG23 VAL A 75 -3.852 -8.561 5.880 1.00 1.38 H new ATOM 1086 N LYS A 76 -4.030 -10.929 3.481 1.00 0.76 N ATOM 1087 CA LYS A 76 -3.902 -12.256 4.068 1.00 0.89 C ATOM 1088 C LYS A 76 -3.212 -12.167 5.429 1.00 0.94 C ATOM 1089 O LYS A 76 -2.127 -11.595 5.541 1.00 0.85 O ATOM 1090 CB LYS A 76 -3.117 -13.185 3.134 1.00 0.97 C ATOM 1091 CG LYS A 76 -3.120 -14.639 3.583 1.00 1.26 C ATOM 1092 CD LYS A 76 -2.372 -15.533 2.607 1.00 1.72 C ATOM 1093 CE LYS A 76 -2.435 -16.996 3.023 1.00 2.01 C ATOM 1094 NZ LYS A 76 -3.836 -17.496 3.112 1.00 2.55 N1+ ATOM 0 H LYS A 76 -3.453 -10.774 2.654 1.00 0.76 H new ATOM 0 HA LYS A 76 -4.901 -12.670 4.207 1.00 0.89 H new ATOM 0 HB2 LYS A 76 -3.540 -13.122 2.131 1.00 0.97 H new ATOM 0 HB3 LYS A 76 -2.087 -12.835 3.068 1.00 0.97 H new ATOM 0 HG2 LYS A 76 -2.663 -14.716 4.570 1.00 1.26 H new ATOM 0 HG3 LYS A 76 -4.148 -14.987 3.680 1.00 1.26 H new ATOM 0 HD2 LYS A 76 -2.797 -15.419 1.610 1.00 1.72 H new ATOM 0 HD3 LYS A 76 -1.331 -15.216 2.547 1.00 1.72 H new ATOM 0 HE2 LYS A 76 -1.880 -17.600 2.305 1.00 2.01 H new ATOM 0 HE3 LYS A 76 -1.945 -17.119 3.989 1.00 2.01 H new ATOM 0 HZ1 LYS A 76 -3.864 -18.500 2.842 1.00 2.55 H new ATOM 0 HZ2 LYS A 76 -4.181 -17.390 4.087 1.00 2.55 H new ATOM 0 HZ3 LYS A 76 -4.442 -16.948 2.469 1.00 2.55 H new ATOM 1108 N PRO A 77 -3.846 -12.730 6.480 1.00 1.21 N ATOM 1109 CA PRO A 77 -3.315 -12.704 7.854 1.00 1.37 C ATOM 1110 C PRO A 77 -1.946 -13.371 7.993 1.00 1.27 C ATOM 1111 O PRO A 77 -1.294 -13.260 9.031 1.00 1.73 O ATOM 1112 CB PRO A 77 -4.359 -13.477 8.667 1.00 1.75 C ATOM 1113 CG PRO A 77 -5.604 -13.418 7.850 1.00 1.92 C ATOM 1114 CD PRO A 77 -5.154 -13.406 6.416 1.00 1.48 C ATOM 0 HA PRO A 77 -3.158 -11.678 8.187 1.00 1.37 H new ATOM 0 HB2 PRO A 77 -4.045 -14.507 8.835 1.00 1.75 H new ATOM 0 HB3 PRO A 77 -4.509 -13.026 9.648 1.00 1.75 H new ATOM 0 HG2 PRO A 77 -6.245 -14.277 8.051 1.00 1.92 H new ATOM 0 HG3 PRO A 77 -6.184 -12.525 8.085 1.00 1.92 H new ATOM 0 HD2 PRO A 77 -5.067 -14.415 6.013 1.00 1.48 H new ATOM 0 HD3 PRO A 77 -5.855 -12.867 5.778 1.00 1.48 H new ATOM 1122 N ASP A 78 -1.525 -14.080 6.959 1.00 1.23 N ATOM 1123 CA ASP A 78 -0.190 -14.656 6.932 1.00 1.22 C ATOM 1124 C ASP A 78 0.785 -13.657 6.335 1.00 0.97 C ATOM 1125 O ASP A 78 0.741 -13.375 5.135 1.00 1.45 O ATOM 1126 CB ASP A 78 -0.163 -15.964 6.138 1.00 1.84 C ATOM 1127 CG ASP A 78 -0.849 -17.100 6.866 1.00 2.76 C ATOM 1128 OD1 ASP A 78 -0.336 -17.540 7.913 1.00 3.52 O1- ATOM 1129 OD2 ASP A 78 -1.907 -17.560 6.393 1.00 3.17 O ATOM 0 H ASP A 78 -2.086 -14.271 6.129 1.00 1.23 H new ATOM 0 HA ASP A 78 0.106 -14.884 7.956 1.00 1.22 H new ATOM 0 HB2 ASP A 78 -0.648 -15.810 5.174 1.00 1.84 H new ATOM 0 HB3 ASP A 78 0.872 -16.240 5.934 1.00 1.84 H new ATOM 1134 N ASP A 79 1.664 -13.123 7.175 1.00 0.95 N ATOM 1135 CA ASP A 79 2.608 -12.090 6.755 1.00 1.45 C ATOM 1136 C ASP A 79 3.762 -12.686 5.955 1.00 1.04 C ATOM 1137 O ASP A 79 4.930 -12.437 6.250 1.00 1.19 O ATOM 1138 CB ASP A 79 3.173 -11.333 7.961 1.00 2.34 C ATOM 1139 CG ASP A 79 2.111 -10.654 8.799 1.00 3.15 C ATOM 1140 OD1 ASP A 79 1.584 -9.605 8.375 1.00 3.57 O1- ATOM 1141 OD2 ASP A 79 1.812 -11.159 9.902 1.00 3.58 O ATOM 0 H ASP A 79 1.744 -13.389 8.156 1.00 0.95 H new ATOM 0 HA ASP A 79 2.056 -11.395 6.122 1.00 1.45 H new ATOM 0 HB2 ASP A 79 3.730 -12.029 8.588 1.00 2.34 H new ATOM 0 HB3 ASP A 79 3.882 -10.583 7.610 1.00 2.34 H new ATOM 1146 N ALA A 80 3.435 -13.484 4.955 1.00 0.88 N ATOM 1147 CA ALA A 80 4.442 -14.056 4.078 1.00 0.73 C ATOM 1148 C ALA A 80 4.460 -13.321 2.747 1.00 0.65 C ATOM 1149 O ALA A 80 5.493 -13.231 2.083 1.00 0.82 O ATOM 1150 CB ALA A 80 4.186 -15.541 3.871 1.00 1.02 C ATOM 0 H ALA A 80 2.477 -13.752 4.729 1.00 0.88 H new ATOM 0 HA ALA A 80 5.419 -13.942 4.547 1.00 0.73 H new ATOM 0 HB1 ALA A 80 4.950 -15.953 3.212 1.00 1.02 H new ATOM 0 HB2 ALA A 80 4.221 -16.054 4.832 1.00 1.02 H new ATOM 0 HB3 ALA A 80 3.203 -15.682 3.421 1.00 1.02 H new ATOM 1156 N ARG A 81 3.307 -12.787 2.369 1.00 0.61 N ATOM 1157 CA ARG A 81 3.176 -12.044 1.122 1.00 0.73 C ATOM 1158 C ARG A 81 3.164 -10.545 1.390 1.00 0.72 C ATOM 1159 O ARG A 81 3.585 -9.746 0.557 1.00 0.96 O ATOM 1160 CB ARG A 81 1.892 -12.457 0.402 1.00 0.87 C ATOM 1161 CG ARG A 81 1.866 -13.925 0.010 1.00 1.31 C ATOM 1162 CD ARG A 81 0.514 -14.332 -0.547 1.00 1.36 C ATOM 1163 NE ARG A 81 0.472 -15.750 -0.903 1.00 1.55 N ATOM 1164 CZ ARG A 81 -0.647 -16.418 -1.167 1.00 1.73 C ATOM 1165 NH1 ARG A 81 -1.822 -15.809 -1.058 1.00 1.75 N1+ ATOM 1166 NH2 ARG A 81 -0.593 -17.692 -1.532 1.00 2.33 N ATOM 0 H ARG A 81 2.445 -12.855 2.910 1.00 0.61 H new ATOM 0 HA ARG A 81 4.032 -12.275 0.488 1.00 0.73 H new ATOM 0 HB2 ARG A 81 1.039 -12.245 1.046 1.00 0.87 H new ATOM 0 HB3 ARG A 81 1.774 -11.847 -0.494 1.00 0.87 H new ATOM 0 HG2 ARG A 81 2.639 -14.117 -0.734 1.00 1.31 H new ATOM 0 HG3 ARG A 81 2.101 -14.538 0.880 1.00 1.31 H new ATOM 0 HD2 ARG A 81 -0.260 -14.120 0.190 1.00 1.36 H new ATOM 0 HD3 ARG A 81 0.289 -13.730 -1.428 1.00 1.36 H new ATOM 0 HE ARG A 81 1.355 -16.258 -0.952 1.00 1.55 H new ATOM 0 HH11 ARG A 81 -1.865 -14.831 -0.772 1.00 1.75 H new ATOM 0 HH12 ARG A 81 -2.682 -16.319 -1.260 1.00 1.75 H new ATOM 0 HH21 ARG A 81 0.309 -18.162 -1.611 1.00 2.33 H new ATOM 0 HH22 ARG A 81 -1.453 -18.202 -1.734 1.00 2.33 H new ATOM 1180 N VAL A 82 2.697 -10.175 2.570 1.00 0.60 N ATOM 1181 CA VAL A 82 2.583 -8.779 2.946 1.00 0.62 C ATOM 1182 C VAL A 82 3.720 -8.389 3.879 1.00 0.58 C ATOM 1183 O VAL A 82 3.883 -8.977 4.949 1.00 0.74 O ATOM 1184 CB VAL A 82 1.232 -8.505 3.644 1.00 0.69 C ATOM 1185 CG1 VAL A 82 1.119 -7.047 4.059 1.00 0.77 C ATOM 1186 CG2 VAL A 82 0.073 -8.897 2.738 1.00 0.78 C ATOM 0 H VAL A 82 2.389 -10.830 3.289 1.00 0.60 H new ATOM 0 HA VAL A 82 2.638 -8.182 2.036 1.00 0.62 H new ATOM 0 HB VAL A 82 1.187 -9.116 4.546 1.00 0.69 H new ATOM 0 HG11 VAL A 82 0.159 -6.881 4.548 1.00 0.77 H new ATOM 0 HG12 VAL A 82 1.925 -6.802 4.750 1.00 0.77 H new ATOM 0 HG13 VAL A 82 1.192 -6.411 3.177 1.00 0.77 H new ATOM 0 HG21 VAL A 82 -0.870 -8.697 3.247 1.00 0.78 H new ATOM 0 HG22 VAL A 82 0.119 -8.316 1.817 1.00 0.78 H new ATOM 0 HG23 VAL A 82 0.139 -9.959 2.501 1.00 0.78 H new ATOM 1196 N VAL A 83 4.522 -7.418 3.462 1.00 0.42 N ATOM 1197 CA VAL A 83 5.600 -6.922 4.304 1.00 0.42 C ATOM 1198 C VAL A 83 5.111 -5.744 5.149 1.00 0.38 C ATOM 1199 O VAL A 83 5.625 -5.490 6.238 1.00 0.43 O ATOM 1200 CB VAL A 83 6.847 -6.518 3.475 1.00 0.47 C ATOM 1201 CG1 VAL A 83 6.571 -5.304 2.603 1.00 0.65 C ATOM 1202 CG2 VAL A 83 8.041 -6.265 4.382 1.00 0.91 C ATOM 0 H VAL A 83 4.447 -6.962 2.553 1.00 0.42 H new ATOM 0 HA VAL A 83 5.902 -7.734 4.965 1.00 0.42 H new ATOM 0 HB VAL A 83 7.084 -7.352 2.815 1.00 0.47 H new ATOM 0 HG11 VAL A 83 7.468 -5.051 2.037 1.00 0.65 H new ATOM 0 HG12 VAL A 83 5.758 -5.529 1.913 1.00 0.65 H new ATOM 0 HG13 VAL A 83 6.289 -4.460 3.233 1.00 0.65 H new ATOM 0 HG21 VAL A 83 8.903 -5.983 3.778 1.00 0.91 H new ATOM 0 HG22 VAL A 83 7.806 -5.459 5.077 1.00 0.91 H new ATOM 0 HG23 VAL A 83 8.271 -7.171 4.942 1.00 0.91 H new ATOM 1212 N ALA A 84 4.096 -5.048 4.647 1.00 0.35 N ATOM 1213 CA ALA A 84 3.504 -3.922 5.356 1.00 0.34 C ATOM 1214 C ALA A 84 2.175 -3.533 4.722 1.00 0.31 C ATOM 1215 O ALA A 84 1.992 -3.688 3.511 1.00 0.31 O ATOM 1216 CB ALA A 84 4.453 -2.732 5.363 1.00 0.36 C ATOM 0 H ALA A 84 3.664 -5.247 3.745 1.00 0.35 H new ATOM 0 HA ALA A 84 3.323 -4.225 6.387 1.00 0.34 H new ATOM 0 HB1 ALA A 84 3.991 -1.902 5.898 1.00 0.36 H new ATOM 0 HB2 ALA A 84 5.383 -3.011 5.859 1.00 0.36 H new ATOM 0 HB3 ALA A 84 4.665 -2.430 4.337 1.00 0.36 H new ATOM 1222 N HIS A 85 1.248 -3.044 5.536 1.00 0.30 N ATOM 1223 CA HIS A 85 -0.052 -2.606 5.037 1.00 0.28 C ATOM 1224 C HIS A 85 -0.680 -1.596 5.988 1.00 0.28 C ATOM 1225 O HIS A 85 -0.428 -1.620 7.194 1.00 0.36 O ATOM 1226 CB HIS A 85 -1.007 -3.797 4.855 1.00 0.31 C ATOM 1227 CG HIS A 85 -1.497 -4.411 6.140 1.00 0.78 C ATOM 1228 ND1 HIS A 85 -2.703 -4.072 6.722 1.00 0.86 N ATOM 1229 CD2 HIS A 85 -0.950 -5.356 6.944 1.00 1.53 C ATOM 1230 CE1 HIS A 85 -2.875 -4.782 7.821 1.00 1.53 C ATOM 1231 NE2 HIS A 85 -1.828 -5.567 7.977 1.00 1.96 N ATOM 0 H HIS A 85 1.371 -2.940 6.543 1.00 0.30 H new ATOM 0 HA HIS A 85 0.112 -2.136 4.067 1.00 0.28 H new ATOM 0 HB2 HIS A 85 -1.868 -3.469 4.273 1.00 0.31 H new ATOM 0 HB3 HIS A 85 -0.501 -4.565 4.271 1.00 0.31 H new ATOM 0 HD1 HIS A 85 -3.359 -3.380 6.359 1.00 0.86 H new ATOM 0 HD2 HIS A 85 -0.001 -5.850 6.798 1.00 1.53 H new ATOM 0 HE1 HIS A 85 -3.729 -4.729 8.480 1.00 1.53 H new ATOM 1240 N THR A 86 -1.493 -0.714 5.437 1.00 0.25 N ATOM 1241 CA THR A 86 -2.266 0.213 6.240 1.00 0.27 C ATOM 1242 C THR A 86 -3.603 -0.421 6.620 1.00 0.31 C ATOM 1243 O THR A 86 -3.860 -1.584 6.294 1.00 0.50 O ATOM 1244 CB THR A 86 -2.516 1.528 5.473 1.00 0.24 C ATOM 1245 OG1 THR A 86 -3.093 1.247 4.193 1.00 0.27 O ATOM 1246 CG2 THR A 86 -1.226 2.308 5.281 1.00 0.29 C ATOM 0 H THR A 86 -1.635 -0.621 4.431 1.00 0.25 H new ATOM 0 HA THR A 86 -1.699 0.440 7.143 1.00 0.27 H new ATOM 0 HB THR A 86 -3.203 2.133 6.064 1.00 0.24 H new ATOM 0 HG1 THR A 86 -3.406 0.318 4.172 1.00 0.27 H new ATOM 0 HG21 THR A 86 -1.435 3.229 4.737 1.00 0.29 H new ATOM 0 HG22 THR A 86 -0.799 2.550 6.254 1.00 0.29 H new ATOM 0 HG23 THR A 86 -0.517 1.705 4.714 1.00 0.29 H new ATOM 1254 N LYS A 87 -4.438 0.326 7.321 1.00 0.29 N ATOM 1255 CA LYS A 87 -5.784 -0.126 7.634 1.00 0.32 C ATOM 1256 C LYS A 87 -6.769 0.431 6.613 1.00 0.29 C ATOM 1257 O LYS A 87 -6.527 1.488 6.027 1.00 0.35 O ATOM 1258 CB LYS A 87 -6.190 0.333 9.041 1.00 0.40 C ATOM 1259 CG LYS A 87 -5.232 -0.108 10.140 1.00 1.07 C ATOM 1260 CD LYS A 87 -5.174 -1.624 10.278 1.00 1.29 C ATOM 1261 CE LYS A 87 -6.507 -2.208 10.723 1.00 1.83 C ATOM 1262 NZ LYS A 87 -6.479 -3.694 10.731 1.00 2.85 N1+ ATOM 0 H LYS A 87 -4.208 1.250 7.685 1.00 0.29 H new ATOM 0 HA LYS A 87 -5.801 -1.215 7.599 1.00 0.32 H new ATOM 0 HB2 LYS A 87 -6.261 1.421 9.050 1.00 0.40 H new ATOM 0 HB3 LYS A 87 -7.185 -0.053 9.264 1.00 0.40 H new ATOM 0 HG2 LYS A 87 -4.234 0.274 9.925 1.00 1.07 H new ATOM 0 HG3 LYS A 87 -5.543 0.330 11.088 1.00 1.07 H new ATOM 0 HD2 LYS A 87 -4.886 -2.064 9.323 1.00 1.29 H new ATOM 0 HD3 LYS A 87 -4.402 -1.893 10.999 1.00 1.29 H new ATOM 0 HE2 LYS A 87 -6.750 -1.843 11.721 1.00 1.83 H new ATOM 0 HE3 LYS A 87 -7.297 -1.862 10.056 1.00 1.83 H new ATOM 0 HZ1 LYS A 87 -7.253 -4.053 11.326 1.00 2.85 H new ATOM 0 HZ2 LYS A 87 -6.595 -4.049 9.760 1.00 2.85 H new ATOM 0 HZ3 LYS A 87 -5.569 -4.022 11.113 1.00 2.85 H new ATOM 1276 N LEU A 88 -7.860 -0.295 6.388 1.00 0.30 N ATOM 1277 CA LEU A 88 -8.941 0.188 5.533 1.00 0.37 C ATOM 1278 C LEU A 88 -9.529 1.465 6.102 1.00 0.36 C ATOM 1279 O LEU A 88 -10.222 1.442 7.122 1.00 0.50 O ATOM 1280 CB LEU A 88 -10.056 -0.849 5.399 1.00 0.52 C ATOM 1281 CG LEU A 88 -9.879 -1.898 4.303 1.00 0.56 C ATOM 1282 CD1 LEU A 88 -11.065 -2.850 4.313 1.00 1.24 C ATOM 1283 CD2 LEU A 88 -9.742 -1.237 2.934 1.00 0.92 C ATOM 0 H LEU A 88 -8.020 -1.221 6.786 1.00 0.30 H new ATOM 0 HA LEU A 88 -8.515 0.377 4.547 1.00 0.37 H new ATOM 0 HB2 LEU A 88 -10.159 -1.366 6.353 1.00 0.52 H new ATOM 0 HB3 LEU A 88 -10.993 -0.322 5.220 1.00 0.52 H new ATOM 0 HG LEU A 88 -8.965 -2.458 4.499 1.00 0.56 H new ATOM 0 HD11 LEU A 88 -10.938 -3.598 3.531 1.00 1.24 H new ATOM 0 HD12 LEU A 88 -11.126 -3.345 5.282 1.00 1.24 H new ATOM 0 HD13 LEU A 88 -11.983 -2.290 4.134 1.00 1.24 H new ATOM 0 HD21 LEU A 88 -9.617 -2.005 2.170 1.00 0.92 H new ATOM 0 HD22 LEU A 88 -10.638 -0.654 2.720 1.00 0.92 H new ATOM 0 HD23 LEU A 88 -8.873 -0.579 2.933 1.00 0.92 H new ATOM 1295 N ILE A 89 -9.261 2.571 5.439 1.00 0.31 N ATOM 1296 CA ILE A 89 -9.692 3.868 5.928 1.00 0.31 C ATOM 1297 C ILE A 89 -10.772 4.475 5.043 1.00 0.33 C ATOM 1298 O ILE A 89 -10.700 4.409 3.812 1.00 0.35 O ATOM 1299 CB ILE A 89 -8.506 4.846 6.043 1.00 0.27 C ATOM 1300 CG1 ILE A 89 -7.677 4.853 4.754 1.00 0.23 C ATOM 1301 CG2 ILE A 89 -7.644 4.478 7.241 1.00 0.28 C ATOM 1302 CD1 ILE A 89 -6.556 5.872 4.753 1.00 0.21 C ATOM 0 H ILE A 89 -8.746 2.600 4.559 1.00 0.31 H new ATOM 0 HA ILE A 89 -10.112 3.704 6.920 1.00 0.31 H new ATOM 0 HB ILE A 89 -8.897 5.853 6.191 1.00 0.27 H new ATOM 0 HG12 ILE A 89 -7.253 3.861 4.600 1.00 0.23 H new ATOM 0 HG13 ILE A 89 -8.337 5.052 3.910 1.00 0.23 H new ATOM 0 HG21 ILE A 89 -6.808 5.174 7.315 1.00 0.28 H new ATOM 0 HG22 ILE A 89 -8.243 4.532 8.150 1.00 0.28 H new ATOM 0 HG23 ILE A 89 -7.262 3.464 7.117 1.00 0.28 H new ATOM 0 HD11 ILE A 89 -6.015 5.817 3.808 1.00 0.21 H new ATOM 0 HD12 ILE A 89 -6.973 6.872 4.874 1.00 0.21 H new ATOM 0 HD13 ILE A 89 -5.872 5.662 5.576 1.00 0.21 H new ATOM 1314 N GLY A 90 -11.785 5.042 5.688 1.00 0.34 N ATOM 1315 CA GLY A 90 -12.840 5.731 4.976 1.00 0.37 C ATOM 1316 C GLY A 90 -12.481 7.177 4.697 1.00 0.51 C ATOM 1317 O GLY A 90 -11.348 7.597 4.942 1.00 0.79 O ATOM 0 H GLY A 90 -11.893 5.035 6.702 1.00 0.34 H new ATOM 0 HA2 GLY A 90 -13.038 5.218 4.035 1.00 0.37 H new ATOM 0 HA3 GLY A 90 -13.759 5.691 5.561 1.00 0.37 H new ATOM 1321 N GLY A 91 -13.437 7.934 4.182 1.00 0.60 N ATOM 1322 CA GLY A 91 -13.190 9.325 3.849 1.00 0.81 C ATOM 1323 C GLY A 91 -12.848 10.169 5.062 1.00 0.57 C ATOM 1324 O GLY A 91 -13.616 10.226 6.024 1.00 0.70 O ATOM 0 H GLY A 91 -14.384 7.610 3.987 1.00 0.60 H new ATOM 0 HA2 GLY A 91 -12.372 9.382 3.130 1.00 0.81 H new ATOM 0 HA3 GLY A 91 -14.072 9.739 3.361 1.00 0.81 H new ATOM 1328 N GLY A 92 -11.688 10.813 5.023 1.00 0.54 N ATOM 1329 CA GLY A 92 -11.285 11.686 6.107 1.00 0.56 C ATOM 1330 C GLY A 92 -10.408 10.979 7.117 1.00 0.52 C ATOM 1331 O GLY A 92 -10.011 11.566 8.120 1.00 0.80 O ATOM 0 H GLY A 92 -11.018 10.745 4.257 1.00 0.54 H new ATOM 0 HA2 GLY A 92 -10.749 12.543 5.700 1.00 0.56 H new ATOM 0 HA3 GLY A 92 -12.172 12.074 6.608 1.00 0.56 H new ATOM 1335 N GLU A 93 -10.106 9.717 6.849 1.00 0.34 N ATOM 1336 CA GLU A 93 -9.287 8.918 7.748 1.00 0.27 C ATOM 1337 C GLU A 93 -7.880 8.735 7.199 1.00 0.23 C ATOM 1338 O GLU A 93 -7.619 9.010 6.023 1.00 0.29 O ATOM 1339 CB GLU A 93 -9.945 7.561 7.989 1.00 0.30 C ATOM 1340 CG GLU A 93 -11.017 7.595 9.060 1.00 0.38 C ATOM 1341 CD GLU A 93 -10.437 7.850 10.431 1.00 1.32 C ATOM 1342 OE1 GLU A 93 -10.063 6.875 11.113 1.00 1.33 O ATOM 1343 OE2 GLU A 93 -10.371 9.030 10.839 1.00 2.34 O1- ATOM 0 H GLU A 93 -10.417 9.223 6.013 1.00 0.34 H new ATOM 0 HA GLU A 93 -9.207 9.449 8.696 1.00 0.27 H new ATOM 0 HB2 GLU A 93 -10.384 7.208 7.056 1.00 0.30 H new ATOM 0 HB3 GLU A 93 -9.179 6.839 8.274 1.00 0.30 H new ATOM 0 HG2 GLU A 93 -11.743 8.373 8.823 1.00 0.38 H new ATOM 0 HG3 GLU A 93 -11.556 6.647 9.064 1.00 0.38 H new ATOM 1350 N GLU A 94 -6.978 8.278 8.055 1.00 0.21 N ATOM 1351 CA GLU A 94 -5.584 8.104 7.682 1.00 0.21 C ATOM 1352 C GLU A 94 -5.001 6.864 8.350 1.00 0.22 C ATOM 1353 O GLU A 94 -5.474 6.434 9.401 1.00 0.28 O ATOM 1354 CB GLU A 94 -4.771 9.341 8.081 1.00 0.25 C ATOM 1355 CG GLU A 94 -4.797 9.636 9.571 1.00 0.83 C ATOM 1356 CD GLU A 94 -3.936 10.821 9.940 1.00 1.27 C ATOM 1357 OE1 GLU A 94 -4.446 11.963 9.907 1.00 1.67 O1- ATOM 1358 OE2 GLU A 94 -2.747 10.617 10.267 1.00 1.86 O ATOM 0 H GLU A 94 -7.190 8.020 9.019 1.00 0.21 H new ATOM 0 HA GLU A 94 -5.532 7.976 6.601 1.00 0.21 H new ATOM 0 HB2 GLU A 94 -3.737 9.202 7.765 1.00 0.25 H new ATOM 0 HB3 GLU A 94 -5.155 10.207 7.542 1.00 0.25 H new ATOM 0 HG2 GLU A 94 -5.824 9.826 9.883 1.00 0.83 H new ATOM 0 HG3 GLU A 94 -4.455 8.758 10.118 1.00 0.83 H new ATOM 1365 N SER A 95 -3.982 6.291 7.734 1.00 0.22 N ATOM 1366 CA SER A 95 -3.307 5.132 8.295 1.00 0.27 C ATOM 1367 C SER A 95 -1.876 5.079 7.774 1.00 0.23 C ATOM 1368 O SER A 95 -1.601 5.537 6.665 1.00 0.29 O ATOM 1369 CB SER A 95 -4.073 3.851 7.943 1.00 0.37 C ATOM 1370 OG SER A 95 -3.515 2.716 8.585 1.00 1.35 O ATOM 0 H SER A 95 -3.602 6.610 6.843 1.00 0.22 H new ATOM 0 HA SER A 95 -3.279 5.215 9.381 1.00 0.27 H new ATOM 0 HB2 SER A 95 -5.117 3.959 8.236 1.00 0.37 H new ATOM 0 HB3 SER A 95 -4.059 3.703 6.863 1.00 0.37 H new ATOM 0 HG SER A 95 -4.179 2.322 9.189 1.00 1.35 H new ATOM 1376 N SER A 96 -0.969 4.540 8.573 1.00 0.28 N ATOM 1377 CA SER A 96 0.440 4.520 8.217 1.00 0.25 C ATOM 1378 C SER A 96 1.042 3.136 8.423 1.00 0.27 C ATOM 1379 O SER A 96 0.514 2.324 9.183 1.00 0.35 O ATOM 1380 CB SER A 96 1.204 5.547 9.058 1.00 0.29 C ATOM 1381 OG SER A 96 0.692 6.853 8.859 1.00 1.00 O ATOM 0 H SER A 96 -1.184 4.110 9.473 1.00 0.28 H new ATOM 0 HA SER A 96 0.526 4.775 7.161 1.00 0.25 H new ATOM 0 HB2 SER A 96 1.133 5.282 10.113 1.00 0.29 H new ATOM 0 HB3 SER A 96 2.261 5.524 8.794 1.00 0.29 H new ATOM 0 HG SER A 96 1.393 7.426 8.484 1.00 1.00 H new ATOM 1387 N LEU A 97 2.141 2.876 7.731 1.00 0.22 N ATOM 1388 CA LEU A 97 2.893 1.642 7.900 1.00 0.25 C ATOM 1389 C LEU A 97 4.383 1.949 7.898 1.00 0.24 C ATOM 1390 O LEU A 97 4.806 2.967 7.356 1.00 0.21 O ATOM 1391 CB LEU A 97 2.541 0.638 6.787 1.00 0.26 C ATOM 1392 CG LEU A 97 2.798 1.113 5.343 1.00 0.23 C ATOM 1393 CD1 LEU A 97 4.262 0.947 4.950 1.00 0.23 C ATOM 1394 CD2 LEU A 97 1.913 0.359 4.364 1.00 0.25 C ATOM 0 H LEU A 97 2.536 3.512 7.038 1.00 0.22 H new ATOM 0 HA LEU A 97 2.627 1.190 8.855 1.00 0.25 H new ATOM 0 HB2 LEU A 97 3.112 -0.275 6.955 1.00 0.26 H new ATOM 0 HB3 LEU A 97 1.487 0.377 6.880 1.00 0.26 H new ATOM 0 HG LEU A 97 2.553 2.174 5.303 1.00 0.23 H new ATOM 0 HD11 LEU A 97 4.405 1.292 3.926 1.00 0.23 H new ATOM 0 HD12 LEU A 97 4.888 1.534 5.622 1.00 0.23 H new ATOM 0 HD13 LEU A 97 4.541 -0.104 5.021 1.00 0.23 H new ATOM 0 HD21 LEU A 97 2.110 0.709 3.351 1.00 0.25 H new ATOM 0 HD22 LEU A 97 2.127 -0.708 4.427 1.00 0.25 H new ATOM 0 HD23 LEU A 97 0.866 0.534 4.611 1.00 0.25 H new ATOM 1406 N THR A 98 5.176 1.083 8.503 1.00 0.31 N ATOM 1407 CA THR A 98 6.618 1.244 8.497 1.00 0.31 C ATOM 1408 C THR A 98 7.279 -0.070 8.111 1.00 0.32 C ATOM 1409 O THR A 98 6.925 -1.124 8.635 1.00 0.41 O ATOM 1410 CB THR A 98 7.144 1.707 9.868 1.00 0.37 C ATOM 1411 OG1 THR A 98 6.402 2.852 10.315 1.00 1.14 O ATOM 1412 CG2 THR A 98 8.622 2.058 9.792 1.00 0.79 C ATOM 0 H THR A 98 4.844 0.260 9.006 1.00 0.31 H new ATOM 0 HA THR A 98 6.866 2.013 7.766 1.00 0.31 H new ATOM 0 HB THR A 98 7.016 0.888 10.576 1.00 0.37 H new ATOM 0 HG1 THR A 98 6.741 3.141 11.188 1.00 1.14 H new ATOM 0 HG21 THR A 98 8.970 2.382 10.773 1.00 0.79 H new ATOM 0 HG22 THR A 98 9.188 1.181 9.478 1.00 0.79 H new ATOM 0 HG23 THR A 98 8.768 2.862 9.071 1.00 0.79 H new ATOM 1420 N LEU A 99 8.224 -0.011 7.189 1.00 0.30 N ATOM 1421 CA LEU A 99 8.851 -1.216 6.675 1.00 0.34 C ATOM 1422 C LEU A 99 10.369 -1.090 6.656 1.00 0.32 C ATOM 1423 O LEU A 99 10.915 0.017 6.626 1.00 0.29 O ATOM 1424 CB LEU A 99 8.305 -1.526 5.270 1.00 0.37 C ATOM 1425 CG LEU A 99 8.427 -0.396 4.236 1.00 0.37 C ATOM 1426 CD1 LEU A 99 9.779 -0.433 3.540 1.00 0.42 C ATOM 1427 CD2 LEU A 99 7.305 -0.480 3.212 1.00 0.49 C ATOM 0 H LEU A 99 8.573 0.856 6.782 1.00 0.30 H new ATOM 0 HA LEU A 99 8.606 -2.044 7.341 1.00 0.34 H new ATOM 0 HB2 LEU A 99 8.826 -2.402 4.884 1.00 0.37 H new ATOM 0 HB3 LEU A 99 7.253 -1.796 5.362 1.00 0.37 H new ATOM 0 HG LEU A 99 8.343 0.552 4.768 1.00 0.37 H new ATOM 0 HD11 LEU A 99 9.837 0.378 2.814 1.00 0.42 H new ATOM 0 HD12 LEU A 99 10.572 -0.316 4.279 1.00 0.42 H new ATOM 0 HD13 LEU A 99 9.899 -1.388 3.028 1.00 0.42 H new ATOM 0 HD21 LEU A 99 7.410 0.329 2.489 1.00 0.49 H new ATOM 0 HD22 LEU A 99 7.356 -1.438 2.694 1.00 0.49 H new ATOM 0 HD23 LEU A 99 6.343 -0.392 3.718 1.00 0.49 H new ATOM 1439 N ASP A 100 11.037 -2.237 6.702 1.00 0.38 N ATOM 1440 CA ASP A 100 12.485 -2.299 6.567 1.00 0.40 C ATOM 1441 C ASP A 100 12.848 -2.348 5.088 1.00 0.38 C ATOM 1442 O ASP A 100 12.444 -3.267 4.378 1.00 0.42 O ATOM 1443 CB ASP A 100 13.044 -3.540 7.278 1.00 0.50 C ATOM 1444 CG ASP A 100 12.898 -3.481 8.785 1.00 1.26 C ATOM 1445 OD1 ASP A 100 11.822 -3.850 9.297 1.00 2.08 O1- ATOM 1446 OD2 ASP A 100 13.854 -3.048 9.463 1.00 1.72 O ATOM 0 H ASP A 100 10.592 -3.145 6.833 1.00 0.38 H new ATOM 0 HA ASP A 100 12.921 -1.413 7.028 1.00 0.40 H new ATOM 0 HB2 ASP A 100 12.532 -4.427 6.904 1.00 0.50 H new ATOM 0 HB3 ASP A 100 14.099 -3.651 7.026 1.00 0.50 H new ATOM 1451 N PRO A 101 13.604 -1.344 4.605 1.00 0.38 N ATOM 1452 CA PRO A 101 13.956 -1.206 3.181 1.00 0.41 C ATOM 1453 C PRO A 101 14.596 -2.455 2.578 1.00 0.39 C ATOM 1454 O PRO A 101 14.403 -2.747 1.400 1.00 0.43 O ATOM 1455 CB PRO A 101 14.955 -0.047 3.168 1.00 0.46 C ATOM 1456 CG PRO A 101 14.627 0.750 4.381 1.00 0.53 C ATOM 1457 CD PRO A 101 14.164 -0.240 5.413 1.00 0.43 C ATOM 0 HA PRO A 101 13.063 -1.041 2.577 1.00 0.41 H new ATOM 0 HB2 PRO A 101 15.982 -0.410 3.199 1.00 0.46 H new ATOM 0 HB3 PRO A 101 14.855 0.551 2.262 1.00 0.46 H new ATOM 0 HG2 PRO A 101 15.499 1.302 4.733 1.00 0.53 H new ATOM 0 HG3 PRO A 101 13.850 1.484 4.168 1.00 0.53 H new ATOM 0 HD2 PRO A 101 14.987 -0.580 6.041 1.00 0.43 H new ATOM 0 HD3 PRO A 101 13.415 0.192 6.076 1.00 0.43 H new ATOM 1465 N ALA A 102 15.347 -3.194 3.384 1.00 0.42 N ATOM 1466 CA ALA A 102 16.024 -4.397 2.909 1.00 0.48 C ATOM 1467 C ALA A 102 15.025 -5.506 2.589 1.00 0.46 C ATOM 1468 O ALA A 102 15.363 -6.494 1.936 1.00 0.49 O ATOM 1469 CB ALA A 102 17.032 -4.874 3.937 1.00 0.62 C ATOM 0 H ALA A 102 15.504 -2.983 4.370 1.00 0.42 H new ATOM 0 HA ALA A 102 16.550 -4.145 1.988 1.00 0.48 H new ATOM 0 HB1 ALA A 102 17.529 -5.772 3.570 1.00 0.62 H new ATOM 0 HB2 ALA A 102 17.773 -4.093 4.109 1.00 0.62 H new ATOM 0 HB3 ALA A 102 16.519 -5.100 4.872 1.00 0.62 H new ATOM 1475 N LYS A 103 13.790 -5.327 3.035 1.00 0.47 N ATOM 1476 CA LYS A 103 12.733 -6.294 2.776 1.00 0.52 C ATOM 1477 C LYS A 103 12.092 -6.030 1.421 1.00 0.52 C ATOM 1478 O LYS A 103 11.156 -6.718 1.027 1.00 0.69 O ATOM 1479 CB LYS A 103 11.668 -6.234 3.874 1.00 0.60 C ATOM 1480 CG LYS A 103 12.141 -6.741 5.228 1.00 1.28 C ATOM 1481 CD LYS A 103 12.417 -8.237 5.202 1.00 1.53 C ATOM 1482 CE LYS A 103 11.166 -9.036 4.857 1.00 2.13 C ATOM 1483 NZ LYS A 103 11.414 -10.500 4.901 1.00 2.92 N1+ ATOM 0 H LYS A 103 13.494 -4.517 3.580 1.00 0.47 H new ATOM 0 HA LYS A 103 13.177 -7.290 2.770 1.00 0.52 H new ATOM 0 HB2 LYS A 103 11.331 -5.203 3.982 1.00 0.60 H new ATOM 0 HB3 LYS A 103 10.805 -6.821 3.560 1.00 0.60 H new ATOM 0 HG2 LYS A 103 13.046 -6.209 5.520 1.00 1.28 H new ATOM 0 HG3 LYS A 103 11.385 -6.523 5.983 1.00 1.28 H new ATOM 0 HD2 LYS A 103 13.198 -8.450 4.472 1.00 1.53 H new ATOM 0 HD3 LYS A 103 12.795 -8.554 6.174 1.00 1.53 H new ATOM 0 HE2 LYS A 103 10.369 -8.782 5.555 1.00 2.13 H new ATOM 0 HE3 LYS A 103 10.819 -8.756 3.862 1.00 2.13 H new ATOM 0 HZ1 LYS A 103 10.539 -11.008 4.660 1.00 2.92 H new ATOM 0 HZ2 LYS A 103 12.157 -10.747 4.216 1.00 2.92 H new ATOM 0 HZ3 LYS A 103 11.720 -10.772 5.857 1.00 2.92 H new ATOM 1497 N LEU A 104 12.590 -5.014 0.727 1.00 0.43 N ATOM 1498 CA LEU A 104 12.117 -4.689 -0.613 1.00 0.44 C ATOM 1499 C LEU A 104 13.211 -4.949 -1.635 1.00 0.47 C ATOM 1500 O LEU A 104 13.167 -4.442 -2.756 1.00 0.51 O ATOM 1501 CB LEU A 104 11.668 -3.224 -0.701 1.00 0.43 C ATOM 1502 CG LEU A 104 10.208 -2.943 -0.315 1.00 0.70 C ATOM 1503 CD1 LEU A 104 9.916 -3.384 1.109 1.00 1.22 C ATOM 1504 CD2 LEU A 104 9.898 -1.465 -0.484 1.00 1.30 C ATOM 0 H LEU A 104 13.326 -4.398 1.073 1.00 0.43 H new ATOM 0 HA LEU A 104 11.260 -5.328 -0.829 1.00 0.44 H new ATOM 0 HB2 LEU A 104 12.314 -2.627 -0.058 1.00 0.43 H new ATOM 0 HB3 LEU A 104 11.826 -2.877 -1.722 1.00 0.43 H new ATOM 0 HG LEU A 104 9.567 -3.521 -0.980 1.00 0.70 H new ATOM 0 HD11 LEU A 104 8.875 -3.171 1.350 1.00 1.22 H new ATOM 0 HD12 LEU A 104 10.098 -4.455 1.203 1.00 1.22 H new ATOM 0 HD13 LEU A 104 10.565 -2.844 1.798 1.00 1.22 H new ATOM 0 HD21 LEU A 104 8.861 -1.277 -0.208 1.00 1.30 H new ATOM 0 HD22 LEU A 104 10.556 -0.879 0.158 1.00 1.30 H new ATOM 0 HD23 LEU A 104 10.055 -1.177 -1.524 1.00 1.30 H new ATOM 1516 N ALA A 105 14.190 -5.749 -1.244 1.00 0.55 N ATOM 1517 CA ALA A 105 15.320 -6.046 -2.111 1.00 0.63 C ATOM 1518 C ALA A 105 15.112 -7.352 -2.869 1.00 0.72 C ATOM 1519 O ALA A 105 15.976 -7.782 -3.636 1.00 1.08 O ATOM 1520 CB ALA A 105 16.605 -6.101 -1.301 1.00 0.73 C ATOM 0 H ALA A 105 14.225 -6.205 -0.332 1.00 0.55 H new ATOM 0 HA ALA A 105 15.399 -5.245 -2.846 1.00 0.63 H new ATOM 0 HB1 ALA A 105 17.443 -6.324 -1.962 1.00 0.73 H new ATOM 0 HB2 ALA A 105 16.771 -5.139 -0.817 1.00 0.73 H new ATOM 0 HB3 ALA A 105 16.524 -6.880 -0.543 1.00 0.73 H new ATOM 1526 N ASP A 106 13.961 -7.978 -2.667 1.00 0.69 N ATOM 1527 CA ASP A 106 13.668 -9.260 -3.307 1.00 0.81 C ATOM 1528 C ASP A 106 13.062 -9.075 -4.694 1.00 0.82 C ATOM 1529 O ASP A 106 12.426 -9.986 -5.222 1.00 1.27 O ATOM 1530 CB ASP A 106 12.730 -10.115 -2.446 1.00 1.07 C ATOM 1531 CG ASP A 106 13.407 -10.682 -1.216 1.00 1.45 C ATOM 1532 OD1 ASP A 106 13.523 -9.957 -0.206 1.00 1.96 O ATOM 1533 OD2 ASP A 106 13.830 -11.855 -1.247 1.00 2.04 O1- ATOM 0 H ASP A 106 13.215 -7.624 -2.068 1.00 0.69 H new ATOM 0 HA ASP A 106 14.621 -9.779 -3.412 1.00 0.81 H new ATOM 0 HB2 ASP A 106 11.877 -9.510 -2.138 1.00 1.07 H new ATOM 0 HB3 ASP A 106 12.339 -10.935 -3.049 1.00 1.07 H new ATOM 1538 N GLY A 107 13.244 -7.900 -5.281 1.00 0.61 N ATOM 1539 CA GLY A 107 12.788 -7.687 -6.639 1.00 0.74 C ATOM 1540 C GLY A 107 11.950 -6.437 -6.796 1.00 0.60 C ATOM 1541 O GLY A 107 12.143 -5.454 -6.081 1.00 0.52 O ATOM 0 H GLY A 107 13.696 -7.096 -4.845 1.00 0.61 H new ATOM 0 HA2 GLY A 107 13.652 -7.623 -7.300 1.00 0.74 H new ATOM 0 HA3 GLY A 107 12.205 -8.550 -6.960 1.00 0.74 H new ATOM 1545 N ASP A 108 11.018 -6.481 -7.737 1.00 0.64 N ATOM 1546 CA ASP A 108 10.144 -5.352 -8.012 1.00 0.59 C ATOM 1547 C ASP A 108 8.930 -5.387 -7.109 1.00 0.43 C ATOM 1548 O ASP A 108 8.173 -6.361 -7.100 1.00 0.38 O ATOM 1549 CB ASP A 108 9.693 -5.354 -9.470 1.00 0.73 C ATOM 1550 CG ASP A 108 10.644 -4.607 -10.377 1.00 1.22 C ATOM 1551 OD1 ASP A 108 11.723 -5.150 -10.699 1.00 2.02 O1- ATOM 1552 OD2 ASP A 108 10.314 -3.467 -10.767 1.00 1.56 O ATOM 0 H ASP A 108 10.848 -7.295 -8.327 1.00 0.64 H new ATOM 0 HA ASP A 108 10.709 -4.440 -7.819 1.00 0.59 H new ATOM 0 HB2 ASP A 108 9.601 -6.384 -9.816 1.00 0.73 H new ATOM 0 HB3 ASP A 108 8.702 -4.905 -9.540 1.00 0.73 H new ATOM 1557 N TYR A 109 8.756 -4.331 -6.342 1.00 0.39 N ATOM 1558 CA TYR A 109 7.640 -4.237 -5.427 1.00 0.32 C ATOM 1559 C TYR A 109 6.606 -3.255 -5.943 1.00 0.30 C ATOM 1560 O TYR A 109 6.921 -2.337 -6.704 1.00 0.35 O ATOM 1561 CB TYR A 109 8.127 -3.836 -4.030 1.00 0.35 C ATOM 1562 CG TYR A 109 8.819 -4.961 -3.299 1.00 0.31 C ATOM 1563 CD1 TYR A 109 9.951 -5.568 -3.824 1.00 0.37 C ATOM 1564 CD2 TYR A 109 8.347 -5.402 -2.073 1.00 0.39 C ATOM 1565 CE1 TYR A 109 10.589 -6.587 -3.146 1.00 0.39 C ATOM 1566 CE2 TYR A 109 8.976 -6.415 -1.390 1.00 0.39 C ATOM 1567 CZ TYR A 109 10.082 -7.052 -1.987 1.00 0.34 C ATOM 1568 OH TYR A 109 10.724 -8.012 -1.241 1.00 0.40 O ATOM 0 H TYR A 109 9.377 -3.522 -6.335 1.00 0.39 H new ATOM 0 HA TYR A 109 7.167 -5.216 -5.356 1.00 0.32 H new ATOM 0 HB2 TYR A 109 8.812 -2.993 -4.119 1.00 0.35 H new ATOM 0 HB3 TYR A 109 7.277 -3.495 -3.439 1.00 0.35 H new ATOM 0 HD1 TYR A 109 10.338 -5.238 -4.777 1.00 0.37 H new ATOM 0 HD2 TYR A 109 7.468 -4.941 -1.646 1.00 0.39 H new ATOM 0 HE1 TYR A 109 11.497 -7.013 -3.545 1.00 0.39 H new ATOM 0 HE2 TYR A 109 8.629 -6.718 -0.413 1.00 0.39 H new ATOM 0 HH TYR A 109 11.179 -7.588 -0.484 1.00 0.40 H new ATOM 1578 N LYS A 110 5.370 -3.464 -5.544 1.00 0.28 N ATOM 1579 CA LYS A 110 4.297 -2.568 -5.909 1.00 0.29 C ATOM 1580 C LYS A 110 3.516 -2.186 -4.672 1.00 0.22 C ATOM 1581 O LYS A 110 3.536 -2.900 -3.668 1.00 0.25 O ATOM 1582 CB LYS A 110 3.342 -3.214 -6.921 1.00 0.39 C ATOM 1583 CG LYS A 110 4.026 -3.734 -8.174 1.00 0.62 C ATOM 1584 CD LYS A 110 3.015 -4.153 -9.233 1.00 0.67 C ATOM 1585 CE LYS A 110 2.269 -2.955 -9.803 1.00 1.21 C ATOM 1586 NZ LYS A 110 1.337 -3.344 -10.894 1.00 1.53 N1+ ATOM 0 H LYS A 110 5.083 -4.252 -4.963 1.00 0.28 H new ATOM 0 HA LYS A 110 4.741 -1.685 -6.369 1.00 0.29 H new ATOM 0 HB2 LYS A 110 2.820 -4.039 -6.436 1.00 0.39 H new ATOM 0 HB3 LYS A 110 2.586 -2.483 -7.209 1.00 0.39 H new ATOM 0 HG2 LYS A 110 4.679 -2.961 -8.580 1.00 0.62 H new ATOM 0 HG3 LYS A 110 4.658 -4.584 -7.918 1.00 0.62 H new ATOM 0 HD2 LYS A 110 3.528 -4.679 -10.038 1.00 0.67 H new ATOM 0 HD3 LYS A 110 2.302 -4.853 -8.798 1.00 0.67 H new ATOM 0 HE2 LYS A 110 1.709 -2.464 -9.007 1.00 1.21 H new ATOM 0 HE3 LYS A 110 2.987 -2.228 -10.182 1.00 1.21 H new ATOM 0 HZ1 LYS A 110 0.537 -2.679 -10.921 1.00 1.53 H new ATOM 0 HZ2 LYS A 110 1.839 -3.319 -11.805 1.00 1.53 H new ATOM 0 HZ3 LYS A 110 0.982 -4.306 -10.721 1.00 1.53 H new ATOM 1600 N PHE A 111 2.849 -1.057 -4.741 1.00 0.20 N ATOM 1601 CA PHE A 111 1.905 -0.683 -3.716 1.00 0.19 C ATOM 1602 C PHE A 111 0.536 -0.616 -4.355 1.00 0.17 C ATOM 1603 O PHE A 111 0.389 -0.101 -5.465 1.00 0.21 O ATOM 1604 CB PHE A 111 2.271 0.650 -3.045 1.00 0.22 C ATOM 1605 CG PHE A 111 2.185 1.856 -3.939 1.00 0.20 C ATOM 1606 CD1 PHE A 111 3.248 2.214 -4.749 1.00 0.19 C ATOM 1607 CD2 PHE A 111 1.039 2.638 -3.956 1.00 0.22 C ATOM 1608 CE1 PHE A 111 3.170 3.327 -5.562 1.00 0.20 C ATOM 1609 CE2 PHE A 111 0.958 3.754 -4.764 1.00 0.23 C ATOM 1610 CZ PHE A 111 2.024 4.098 -5.568 1.00 0.21 C ATOM 0 H PHE A 111 2.944 -0.381 -5.499 1.00 0.20 H new ATOM 0 HA PHE A 111 1.920 -1.428 -2.921 1.00 0.19 H new ATOM 0 HB2 PHE A 111 1.612 0.802 -2.190 1.00 0.22 H new ATOM 0 HB3 PHE A 111 3.286 0.577 -2.656 1.00 0.22 H new ATOM 0 HD1 PHE A 111 4.148 1.617 -4.745 1.00 0.19 H new ATOM 0 HD2 PHE A 111 0.201 2.370 -3.330 1.00 0.22 H new ATOM 0 HE1 PHE A 111 4.005 3.595 -6.193 1.00 0.20 H new ATOM 0 HE2 PHE A 111 0.062 4.356 -4.767 1.00 0.23 H new ATOM 0 HZ PHE A 111 1.963 4.970 -6.202 1.00 0.21 H new ATOM 1620 N ALA A 112 -0.450 -1.168 -3.690 1.00 0.14 N ATOM 1621 CA ALA A 112 -1.763 -1.283 -4.287 1.00 0.15 C ATOM 1622 C ALA A 112 -2.851 -1.254 -3.240 1.00 0.15 C ATOM 1623 O ALA A 112 -2.602 -1.487 -2.057 1.00 0.17 O ATOM 1624 CB ALA A 112 -1.855 -2.569 -5.098 1.00 0.19 C ATOM 0 H ALA A 112 -0.372 -1.542 -2.744 1.00 0.14 H new ATOM 0 HA ALA A 112 -1.908 -0.427 -4.946 1.00 0.15 H new ATOM 0 HB1 ALA A 112 -2.846 -2.648 -5.544 1.00 0.19 H new ATOM 0 HB2 ALA A 112 -1.102 -2.557 -5.886 1.00 0.19 H new ATOM 0 HB3 ALA A 112 -1.682 -3.424 -4.445 1.00 0.19 H new ATOM 1630 N CYS A 113 -4.051 -0.950 -3.694 1.00 0.15 N ATOM 1631 CA CYS A 113 -5.225 -0.998 -2.851 1.00 0.14 C ATOM 1632 C CYS A 113 -5.893 -2.357 -3.022 1.00 0.14 C ATOM 1633 O CYS A 113 -6.343 -2.698 -4.113 1.00 0.16 O ATOM 1634 CB CYS A 113 -6.187 0.135 -3.226 1.00 0.14 C ATOM 1635 SG CYS A 113 -7.513 0.408 -2.038 1.00 0.13 S ATOM 0 H CYS A 113 -4.237 -0.664 -4.655 1.00 0.15 H new ATOM 0 HA CYS A 113 -4.943 -0.865 -1.807 1.00 0.14 H new ATOM 0 HB2 CYS A 113 -5.617 1.058 -3.335 1.00 0.14 H new ATOM 0 HB3 CYS A 113 -6.627 -0.085 -4.199 1.00 0.14 H new ATOM 1640 N THR A 114 -5.937 -3.136 -1.950 1.00 0.15 N ATOM 1641 CA THR A 114 -6.430 -4.507 -2.025 1.00 0.17 C ATOM 1642 C THR A 114 -7.952 -4.575 -1.920 1.00 0.16 C ATOM 1643 O THR A 114 -8.527 -5.658 -1.793 1.00 0.21 O ATOM 1644 CB THR A 114 -5.794 -5.383 -0.931 1.00 0.21 C ATOM 1645 OG1 THR A 114 -5.846 -4.704 0.334 1.00 0.22 O ATOM 1646 CG2 THR A 114 -4.349 -5.715 -1.274 1.00 0.24 C ATOM 0 H THR A 114 -5.638 -2.844 -1.019 1.00 0.15 H new ATOM 0 HA THR A 114 -6.141 -4.891 -3.003 1.00 0.17 H new ATOM 0 HB THR A 114 -6.359 -6.313 -0.868 1.00 0.21 H new ATOM 0 HG1 THR A 114 -6.034 -5.351 1.045 1.00 0.22 H new ATOM 0 HG21 THR A 114 -3.921 -6.335 -0.486 1.00 0.24 H new ATOM 0 HG22 THR A 114 -4.315 -6.256 -2.220 1.00 0.24 H new ATOM 0 HG23 THR A 114 -3.775 -4.793 -1.362 1.00 0.24 H new ATOM 1654 N PHE A 115 -8.597 -3.420 -1.978 1.00 0.14 N ATOM 1655 CA PHE A 115 -10.049 -3.359 -1.956 1.00 0.17 C ATOM 1656 C PHE A 115 -10.595 -3.950 -3.260 1.00 0.22 C ATOM 1657 O PHE A 115 -10.117 -3.611 -4.343 1.00 0.23 O ATOM 1658 CB PHE A 115 -10.508 -1.905 -1.778 1.00 0.15 C ATOM 1659 CG PHE A 115 -11.953 -1.764 -1.387 1.00 0.17 C ATOM 1660 CD1 PHE A 115 -12.315 -1.743 -0.050 1.00 0.17 C ATOM 1661 CD2 PHE A 115 -12.943 -1.645 -2.347 1.00 0.23 C ATOM 1662 CE1 PHE A 115 -13.638 -1.609 0.320 1.00 0.20 C ATOM 1663 CE2 PHE A 115 -14.269 -1.512 -1.982 1.00 0.26 C ATOM 1664 CZ PHE A 115 -14.616 -1.493 -0.647 1.00 0.24 C ATOM 0 H PHE A 115 -8.137 -2.512 -2.041 1.00 0.14 H new ATOM 0 HA PHE A 115 -10.433 -3.940 -1.117 1.00 0.17 H new ATOM 0 HB2 PHE A 115 -9.888 -1.430 -1.018 1.00 0.15 H new ATOM 0 HB3 PHE A 115 -10.340 -1.365 -2.710 1.00 0.15 H new ATOM 0 HD1 PHE A 115 -11.554 -1.832 0.711 1.00 0.17 H new ATOM 0 HD2 PHE A 115 -12.676 -1.656 -3.393 1.00 0.23 H new ATOM 0 HE1 PHE A 115 -13.908 -1.595 1.366 1.00 0.20 H new ATOM 0 HE2 PHE A 115 -15.033 -1.423 -2.741 1.00 0.26 H new ATOM 0 HZ PHE A 115 -15.652 -1.388 -0.359 1.00 0.24 H new ATOM 1674 N PRO A 116 -11.580 -4.866 -3.171 1.00 0.30 N ATOM 1675 CA PRO A 116 -12.134 -5.562 -4.342 1.00 0.37 C ATOM 1676 C PRO A 116 -12.604 -4.606 -5.433 1.00 0.31 C ATOM 1677 O PRO A 116 -13.544 -3.832 -5.238 1.00 0.30 O ATOM 1678 CB PRO A 116 -13.323 -6.337 -3.770 1.00 0.46 C ATOM 1679 CG PRO A 116 -12.993 -6.527 -2.334 1.00 0.49 C ATOM 1680 CD PRO A 116 -12.229 -5.299 -1.922 1.00 0.37 C ATOM 0 HA PRO A 116 -11.384 -6.190 -4.823 1.00 0.37 H new ATOM 0 HB2 PRO A 116 -14.253 -5.782 -3.893 1.00 0.46 H new ATOM 0 HB3 PRO A 116 -13.453 -7.293 -4.276 1.00 0.46 H new ATOM 0 HG2 PRO A 116 -13.898 -6.643 -1.737 1.00 0.49 H new ATOM 0 HG3 PRO A 116 -12.396 -7.427 -2.186 1.00 0.49 H new ATOM 0 HD2 PRO A 116 -12.890 -4.529 -1.525 1.00 0.37 H new ATOM 0 HD3 PRO A 116 -11.497 -5.523 -1.146 1.00 0.37 H new ATOM 1688 N GLY A 117 -11.934 -4.661 -6.575 1.00 0.34 N ATOM 1689 CA GLY A 117 -12.285 -3.807 -7.691 1.00 0.33 C ATOM 1690 C GLY A 117 -11.355 -2.618 -7.804 1.00 0.33 C ATOM 1691 O GLY A 117 -11.231 -2.012 -8.868 1.00 0.50 O ATOM 0 H GLY A 117 -11.148 -5.287 -6.749 1.00 0.34 H new ATOM 0 HA2 GLY A 117 -12.251 -4.384 -8.615 1.00 0.33 H new ATOM 0 HA3 GLY A 117 -13.310 -3.456 -7.572 1.00 0.33 H new ATOM 1695 N HIS A 118 -10.689 -2.293 -6.706 1.00 0.24 N ATOM 1696 CA HIS A 118 -9.786 -1.151 -6.663 1.00 0.23 C ATOM 1697 C HIS A 118 -8.407 -1.526 -7.194 1.00 0.29 C ATOM 1698 O HIS A 118 -7.793 -0.760 -7.940 1.00 0.38 O ATOM 1699 CB HIS A 118 -9.664 -0.604 -5.232 1.00 0.20 C ATOM 1700 CG HIS A 118 -10.841 0.215 -4.781 1.00 0.16 C ATOM 1701 ND1 HIS A 118 -10.695 1.237 -3.870 1.00 0.18 N ATOM 1702 CD2 HIS A 118 -12.146 0.128 -5.140 1.00 0.19 C ATOM 1703 CE1 HIS A 118 -11.904 1.742 -3.695 1.00 0.20 C ATOM 1704 NE2 HIS A 118 -12.817 1.103 -4.445 1.00 0.18 N ATOM 0 H HIS A 118 -10.757 -2.807 -5.828 1.00 0.24 H new ATOM 0 HA HIS A 118 -10.206 -0.373 -7.301 1.00 0.23 H new ATOM 0 HB2 HIS A 118 -9.534 -1.441 -4.546 1.00 0.20 H new ATOM 0 HB3 HIS A 118 -8.764 0.007 -5.164 1.00 0.20 H new ATOM 0 HD2 HIS A 118 -12.575 -0.574 -5.839 1.00 0.19 H new ATOM 0 HE1 HIS A 118 -12.129 2.565 -3.033 1.00 0.20 H new ATOM 0 HE2 HIS A 118 -13.816 1.304 -4.489 1.00 0.18 H new ATOM 1712 N GLY A 119 -7.944 -2.722 -6.836 1.00 0.33 N ATOM 1713 CA GLY A 119 -6.595 -3.153 -7.176 1.00 0.42 C ATOM 1714 C GLY A 119 -6.326 -3.216 -8.669 1.00 0.49 C ATOM 1715 O GLY A 119 -5.171 -3.175 -9.096 1.00 0.61 O ATOM 0 H GLY A 119 -8.486 -3.408 -6.310 1.00 0.33 H new ATOM 0 HA2 GLY A 119 -5.880 -2.471 -6.717 1.00 0.42 H new ATOM 0 HA3 GLY A 119 -6.419 -4.138 -6.743 1.00 0.42 H new ATOM 1719 N ALA A 120 -7.385 -3.307 -9.465 1.00 0.53 N ATOM 1720 CA ALA A 120 -7.249 -3.395 -10.913 1.00 0.67 C ATOM 1721 C ALA A 120 -6.665 -2.108 -11.494 1.00 0.64 C ATOM 1722 O ALA A 120 -6.027 -2.122 -12.548 1.00 0.75 O ATOM 1723 CB ALA A 120 -8.596 -3.700 -11.550 1.00 0.83 C ATOM 0 H ALA A 120 -8.349 -3.322 -9.131 1.00 0.53 H new ATOM 0 HA ALA A 120 -6.558 -4.208 -11.138 1.00 0.67 H new ATOM 0 HB1 ALA A 120 -8.481 -3.763 -12.632 1.00 0.83 H new ATOM 0 HB2 ALA A 120 -8.972 -4.650 -11.169 1.00 0.83 H new ATOM 0 HB3 ALA A 120 -9.302 -2.906 -11.306 1.00 0.83 H new ATOM 1729 N LEU A 121 -6.877 -1.000 -10.798 1.00 0.56 N ATOM 1730 CA LEU A 121 -6.383 0.292 -11.260 1.00 0.64 C ATOM 1731 C LEU A 121 -5.466 0.935 -10.220 1.00 0.51 C ATOM 1732 O LEU A 121 -4.438 1.522 -10.563 1.00 0.69 O ATOM 1733 CB LEU A 121 -7.557 1.227 -11.574 1.00 0.82 C ATOM 1734 CG LEU A 121 -7.162 2.619 -12.069 1.00 1.38 C ATOM 1735 CD1 LEU A 121 -6.498 2.535 -13.434 1.00 2.13 C ATOM 1736 CD2 LEU A 121 -8.376 3.534 -12.113 1.00 1.76 C ATOM 0 H LEU A 121 -7.386 -0.968 -9.914 1.00 0.56 H new ATOM 0 HA LEU A 121 -5.805 0.126 -12.169 1.00 0.64 H new ATOM 0 HB2 LEU A 121 -8.186 0.755 -12.329 1.00 0.82 H new ATOM 0 HB3 LEU A 121 -8.165 1.336 -10.676 1.00 0.82 H new ATOM 0 HG LEU A 121 -6.442 3.042 -11.368 1.00 1.38 H new ATOM 0 HD11 LEU A 121 -6.225 3.536 -13.768 1.00 2.13 H new ATOM 0 HD12 LEU A 121 -5.602 1.918 -13.365 1.00 2.13 H new ATOM 0 HD13 LEU A 121 -7.191 2.090 -14.149 1.00 2.13 H new ATOM 0 HD21 LEU A 121 -8.076 4.520 -12.468 1.00 1.76 H new ATOM 0 HD22 LEU A 121 -9.122 3.117 -12.790 1.00 1.76 H new ATOM 0 HD23 LEU A 121 -8.802 3.622 -11.113 1.00 1.76 H new ATOM 1748 N MET A 122 -5.835 0.805 -8.953 1.00 0.34 N ATOM 1749 CA MET A 122 -5.094 1.424 -7.862 1.00 0.22 C ATOM 1750 C MET A 122 -3.865 0.607 -7.494 1.00 0.17 C ATOM 1751 O MET A 122 -3.861 -0.127 -6.505 1.00 0.21 O ATOM 1752 CB MET A 122 -5.999 1.591 -6.643 1.00 0.27 C ATOM 1753 CG MET A 122 -6.571 2.988 -6.489 1.00 0.65 C ATOM 1754 SD MET A 122 -8.041 3.024 -5.451 1.00 0.24 S ATOM 1755 CE MET A 122 -9.255 2.432 -6.623 1.00 0.54 C ATOM 0 H MET A 122 -6.651 0.271 -8.653 1.00 0.34 H new ATOM 0 HA MET A 122 -4.757 2.405 -8.197 1.00 0.22 H new ATOM 0 HB2 MET A 122 -6.821 0.878 -6.712 1.00 0.27 H new ATOM 0 HB3 MET A 122 -5.434 1.339 -5.746 1.00 0.27 H new ATOM 0 HG2 MET A 122 -5.812 3.642 -6.060 1.00 0.65 H new ATOM 0 HG3 MET A 122 -6.816 3.387 -7.473 1.00 0.65 H new ATOM 0 HE1 MET A 122 -10.247 2.475 -6.173 1.00 0.54 H new ATOM 0 HE2 MET A 122 -9.234 3.057 -7.516 1.00 0.54 H new ATOM 0 HE3 MET A 122 -9.025 1.402 -6.896 1.00 0.54 H new ATOM 1765 N ASN A 123 -2.830 0.738 -8.306 1.00 0.20 N ATOM 1766 CA ASN A 123 -1.559 0.088 -8.046 1.00 0.25 C ATOM 1767 C ASN A 123 -0.429 0.891 -8.671 1.00 0.22 C ATOM 1768 O ASN A 123 -0.601 1.509 -9.722 1.00 0.34 O ATOM 1769 CB ASN A 123 -1.543 -1.357 -8.575 1.00 0.44 C ATOM 1770 CG ASN A 123 -1.817 -1.455 -10.064 1.00 0.54 C ATOM 1771 OD1 ASN A 123 -0.900 -1.387 -10.883 1.00 1.13 O ATOM 1772 ND2 ASN A 123 -3.075 -1.648 -10.425 1.00 0.58 N ATOM 0 H ASN A 123 -2.847 1.295 -9.160 1.00 0.20 H new ATOM 0 HA ASN A 123 -1.417 0.045 -6.966 1.00 0.25 H new ATOM 0 HB2 ASN A 123 -0.572 -1.804 -8.361 1.00 0.44 H new ATOM 0 HB3 ASN A 123 -2.289 -1.942 -8.036 1.00 0.44 H new ATOM 0 HD21 ASN A 123 -3.313 -1.746 -11.412 1.00 0.58 H new ATOM 0 HD22 ASN A 123 -3.807 -1.699 -9.716 1.00 0.58 H new ATOM 1779 N GLY A 124 0.712 0.896 -8.007 1.00 0.19 N ATOM 1780 CA GLY A 124 1.865 1.614 -8.509 1.00 0.21 C ATOM 1781 C GLY A 124 3.156 0.900 -8.176 1.00 0.23 C ATOM 1782 O GLY A 124 3.134 -0.220 -7.664 1.00 0.31 O ATOM 0 H GLY A 124 0.863 0.412 -7.122 1.00 0.19 H new ATOM 0 HA2 GLY A 124 1.781 1.728 -9.590 1.00 0.21 H new ATOM 0 HA3 GLY A 124 1.883 2.617 -8.083 1.00 0.21 H new ATOM 1786 N LYS A 125 4.279 1.546 -8.441 1.00 0.24 N ATOM 1787 CA LYS A 125 5.581 0.932 -8.242 1.00 0.28 C ATOM 1788 C LYS A 125 6.269 1.489 -7.003 1.00 0.25 C ATOM 1789 O LYS A 125 6.353 2.704 -6.821 1.00 0.26 O ATOM 1790 CB LYS A 125 6.464 1.168 -9.472 1.00 0.40 C ATOM 1791 CG LYS A 125 5.909 0.565 -10.755 1.00 1.21 C ATOM 1792 CD LYS A 125 6.056 -0.951 -10.792 1.00 1.31 C ATOM 1793 CE LYS A 125 7.515 -1.372 -10.888 1.00 1.41 C ATOM 1794 NZ LYS A 125 7.665 -2.843 -11.051 1.00 1.48 N1+ ATOM 0 H LYS A 125 4.315 2.501 -8.797 1.00 0.24 H new ATOM 0 HA LYS A 125 5.431 -0.138 -8.099 1.00 0.28 H new ATOM 0 HB2 LYS A 125 6.594 2.241 -9.613 1.00 0.40 H new ATOM 0 HB3 LYS A 125 7.452 0.749 -9.283 1.00 0.40 H new ATOM 0 HG2 LYS A 125 4.856 0.828 -10.852 1.00 1.21 H new ATOM 0 HG3 LYS A 125 6.426 0.999 -11.611 1.00 1.21 H new ATOM 0 HD2 LYS A 125 5.611 -1.382 -9.895 1.00 1.31 H new ATOM 0 HD3 LYS A 125 5.505 -1.349 -11.644 1.00 1.31 H new ATOM 0 HE2 LYS A 125 7.983 -0.865 -11.732 1.00 1.41 H new ATOM 0 HE3 LYS A 125 8.044 -1.052 -9.990 1.00 1.41 H new ATOM 0 HZ1 LYS A 125 8.622 -3.129 -10.761 1.00 1.48 H new ATOM 0 HZ2 LYS A 125 6.964 -3.331 -10.458 1.00 1.48 H new ATOM 0 HZ3 LYS A 125 7.514 -3.099 -12.048 1.00 1.48 H new ATOM 1808 N VAL A 126 6.749 0.600 -6.151 1.00 0.25 N ATOM 1809 CA VAL A 126 7.554 0.996 -5.011 1.00 0.25 C ATOM 1810 C VAL A 126 8.905 0.299 -5.098 1.00 0.30 C ATOM 1811 O VAL A 126 8.996 -0.927 -5.083 1.00 0.45 O ATOM 1812 CB VAL A 126 6.858 0.707 -3.654 1.00 0.42 C ATOM 1813 CG1 VAL A 126 6.420 -0.742 -3.540 1.00 1.10 C ATOM 1814 CG2 VAL A 126 7.769 1.074 -2.493 1.00 1.11 C ATOM 0 H VAL A 126 6.594 -0.405 -6.229 1.00 0.25 H new ATOM 0 HA VAL A 126 7.691 2.077 -5.048 1.00 0.25 H new ATOM 0 HB VAL A 126 5.963 1.328 -3.612 1.00 0.42 H new ATOM 0 HG11 VAL A 126 5.938 -0.902 -2.576 1.00 1.10 H new ATOM 0 HG12 VAL A 126 5.717 -0.974 -4.340 1.00 1.10 H new ATOM 0 HG13 VAL A 126 7.291 -1.393 -3.622 1.00 1.10 H new ATOM 0 HG21 VAL A 126 7.261 0.863 -1.552 1.00 1.11 H new ATOM 0 HG22 VAL A 126 8.686 0.487 -2.550 1.00 1.11 H new ATOM 0 HG23 VAL A 126 8.014 2.135 -2.544 1.00 1.11 H new ATOM 1824 N THR A 127 9.949 1.088 -5.231 1.00 0.35 N ATOM 1825 CA THR A 127 11.258 0.550 -5.531 1.00 0.54 C ATOM 1826 C THR A 127 12.274 0.914 -4.459 1.00 0.45 C ATOM 1827 O THR A 127 12.288 2.040 -3.955 1.00 0.37 O ATOM 1828 CB THR A 127 11.743 1.069 -6.896 1.00 0.76 C ATOM 1829 OG1 THR A 127 10.712 0.876 -7.875 1.00 0.86 O ATOM 1830 CG2 THR A 127 13.006 0.350 -7.344 1.00 0.97 C ATOM 0 H THR A 127 9.917 2.103 -5.136 1.00 0.35 H new ATOM 0 HA THR A 127 11.168 -0.536 -5.560 1.00 0.54 H new ATOM 0 HB THR A 127 11.971 2.130 -6.795 1.00 0.76 H new ATOM 0 HG1 THR A 127 11.020 1.208 -8.744 1.00 0.86 H new ATOM 0 HG21 THR A 127 13.323 0.740 -8.311 1.00 0.97 H new ATOM 0 HG22 THR A 127 13.796 0.512 -6.611 1.00 0.97 H new ATOM 0 HG23 THR A 127 12.805 -0.718 -7.431 1.00 0.97 H new ATOM 1838 N LEU A 128 13.108 -0.051 -4.110 1.00 0.52 N ATOM 1839 CA LEU A 128 14.216 0.189 -3.207 1.00 0.49 C ATOM 1840 C LEU A 128 15.335 0.888 -3.964 1.00 0.50 C ATOM 1841 O LEU A 128 15.869 0.348 -4.933 1.00 0.59 O ATOM 1842 CB LEU A 128 14.726 -1.130 -2.623 1.00 0.59 C ATOM 1843 CG LEU A 128 15.854 -0.993 -1.601 1.00 0.73 C ATOM 1844 CD1 LEU A 128 15.355 -0.293 -0.351 1.00 0.78 C ATOM 1845 CD2 LEU A 128 16.433 -2.354 -1.257 1.00 1.44 C ATOM 0 H LEU A 128 13.036 -1.013 -4.442 1.00 0.52 H new ATOM 0 HA LEU A 128 13.878 0.821 -2.386 1.00 0.49 H new ATOM 0 HB2 LEU A 128 13.891 -1.648 -2.152 1.00 0.59 H new ATOM 0 HB3 LEU A 128 15.072 -1.762 -3.441 1.00 0.59 H new ATOM 0 HG LEU A 128 16.646 -0.387 -2.042 1.00 0.73 H new ATOM 0 HD11 LEU A 128 16.171 -0.204 0.366 1.00 0.78 H new ATOM 0 HD12 LEU A 128 14.990 0.701 -0.611 1.00 0.78 H new ATOM 0 HD13 LEU A 128 14.545 -0.872 0.092 1.00 0.78 H new ATOM 0 HD21 LEU A 128 17.235 -2.235 -0.528 1.00 1.44 H new ATOM 0 HD22 LEU A 128 15.651 -2.986 -0.836 1.00 1.44 H new ATOM 0 HD23 LEU A 128 16.830 -2.819 -2.159 1.00 1.44 H new ATOM 1857 N VAL A 129 15.675 2.089 -3.525 1.00 0.46 N ATOM 1858 CA VAL A 129 16.677 2.897 -4.203 1.00 0.51 C ATOM 1859 C VAL A 129 17.849 3.200 -3.282 1.00 0.50 C ATOM 1860 O VAL A 129 17.754 3.057 -2.061 1.00 0.50 O ATOM 1861 CB VAL A 129 16.090 4.231 -4.718 1.00 0.54 C ATOM 1862 CG1 VAL A 129 14.944 3.980 -5.685 1.00 0.60 C ATOM 1863 CG2 VAL A 129 15.635 5.109 -3.559 1.00 0.50 C ATOM 0 H VAL A 129 15.270 2.528 -2.698 1.00 0.46 H new ATOM 0 HA VAL A 129 17.021 2.312 -5.056 1.00 0.51 H new ATOM 0 HB VAL A 129 16.878 4.760 -5.254 1.00 0.54 H new ATOM 0 HG11 VAL A 129 14.547 4.933 -6.034 1.00 0.60 H new ATOM 0 HG12 VAL A 129 15.306 3.404 -6.537 1.00 0.60 H new ATOM 0 HG13 VAL A 129 14.156 3.422 -5.179 1.00 0.60 H new ATOM 0 HG21 VAL A 129 15.226 6.042 -3.948 1.00 0.50 H new ATOM 0 HG22 VAL A 129 14.868 4.587 -2.986 1.00 0.50 H new ATOM 0 HG23 VAL A 129 16.485 5.327 -2.912 1.00 0.50 H new ATOM 1873 N ASP A 130 18.952 3.620 -3.877 1.00 0.55 N ATOM 1874 CA ASP A 130 20.146 3.977 -3.123 1.00 0.62 C ATOM 1875 C ASP A 130 20.530 5.425 -3.404 1.00 1.17 C ATOM 1876 O ASP A 130 19.871 6.100 -4.199 1.00 2.01 O ATOM 1877 CB ASP A 130 21.313 3.047 -3.479 1.00 0.98 C ATOM 1878 CG ASP A 130 21.901 3.330 -4.848 1.00 1.49 C ATOM 1879 OD1 ASP A 130 21.429 2.732 -5.835 1.00 2.25 O ATOM 1880 OD2 ASP A 130 22.831 4.160 -4.946 1.00 1.87 O1- ATOM 0 H ASP A 130 19.048 3.723 -4.887 1.00 0.55 H new ATOM 0 HA ASP A 130 19.927 3.865 -2.061 1.00 0.62 H new ATOM 0 HB2 ASP A 130 22.094 3.149 -2.726 1.00 0.98 H new ATOM 0 HB3 ASP A 130 20.970 2.013 -3.444 1.00 0.98 H new TER 1885 ASP A 130 HETATM 1886 CU CU1 A 201 -9.040 1.752 -2.749 1.00 0.14 CU