USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 597 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 49 LYS NZ :NH3+ -153:sc= 0.191 (180deg=0.0243) USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.106 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.00794 USER MOD Single : A 6 SER OG : rot 54:sc= 0.444 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.212 X(o=-0.21,f=-0.0086) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.0954 X(o=-0.095,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.189 X(o=-0.19,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.119) USER MOD Single : A 36 HIS : no HD1:sc= -4.8! C(o=-4.8!,f=-12!) USER MOD Single : A 39 THR OG1 : rot 13:sc= 0.21 USER MOD Single : A 40 ASN : amide:sc= -0.569 K(o=-0.57,f=-2.8!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -87:sc= 0.932 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0175) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 69 TYR OH : rot -152:sc= 0.83 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 66:sc= 1.1 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.091 8.894 12.233 1.00 0.00 N ATOM 2 CA GLY A 1 -3.381 7.815 13.159 1.00 0.00 C ATOM 3 C GLY A 1 -2.226 6.843 13.297 1.00 0.00 C ATOM 4 O GLY A 1 -1.214 6.969 12.608 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.136 9.804 12.735 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.139 8.764 11.836 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.790 8.888 11.463 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.618 8.234 14.137 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.266 7.277 12.819 1.00 0.00 H new ATOM 8 N SER A 2 -2.377 5.871 14.192 1.00 0.00 N ATOM 9 CA SER A 2 -1.335 4.877 14.422 1.00 0.00 C ATOM 10 C SER A 2 -0.908 4.224 13.112 1.00 0.00 C ATOM 11 O SER A 2 0.144 3.589 13.036 1.00 0.00 O ATOM 12 CB SER A 2 -1.828 3.809 15.401 1.00 0.00 C ATOM 13 OG SER A 2 -2.555 2.797 14.727 1.00 0.00 O ATOM 0 H SER A 2 -3.210 5.751 14.769 1.00 0.00 H new ATOM 0 HA SER A 2 -0.472 5.384 14.852 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.978 3.366 15.920 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.459 4.271 16.160 1.00 0.00 H new ATOM 0 HG SER A 2 -2.858 2.126 15.374 1.00 0.00 H new ATOM 19 N SER A 3 -1.732 4.385 12.081 1.00 0.00 N ATOM 20 CA SER A 3 -1.443 3.808 10.773 1.00 0.00 C ATOM 21 C SER A 3 -1.647 4.839 9.668 1.00 0.00 C ATOM 22 O SER A 3 -2.621 5.590 9.676 1.00 0.00 O ATOM 23 CB SER A 3 -2.333 2.590 10.522 1.00 0.00 C ATOM 24 OG SER A 3 -1.732 1.407 11.020 1.00 0.00 O ATOM 0 H SER A 3 -2.605 4.910 12.126 1.00 0.00 H new ATOM 0 HA SER A 3 -0.399 3.494 10.764 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.301 2.739 11.000 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.518 2.485 9.453 1.00 0.00 H new ATOM 0 HG SER A 3 -2.322 0.643 10.849 1.00 0.00 H new ATOM 30 N GLY A 4 -0.720 4.868 8.715 1.00 0.00 N ATOM 31 CA GLY A 4 -0.815 5.810 7.615 1.00 0.00 C ATOM 32 C GLY A 4 -1.973 5.502 6.687 1.00 0.00 C ATOM 33 O GLY A 4 -2.652 4.487 6.846 1.00 0.00 O ATOM 0 H GLY A 4 0.095 4.256 8.685 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.930 6.818 8.013 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.115 5.796 7.047 1.00 0.00 H new ATOM 37 N SER A 5 -2.201 6.380 5.716 1.00 0.00 N ATOM 38 CA SER A 5 -3.289 6.199 4.762 1.00 0.00 C ATOM 39 C SER A 5 -2.886 5.228 3.656 1.00 0.00 C ATOM 40 O SER A 5 -1.701 4.998 3.418 1.00 0.00 O ATOM 41 CB SER A 5 -3.690 7.544 4.153 1.00 0.00 C ATOM 42 OG SER A 5 -2.557 8.240 3.661 1.00 0.00 O ATOM 0 H SER A 5 -1.647 7.224 5.569 1.00 0.00 H new ATOM 0 HA SER A 5 -4.142 5.781 5.296 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.401 7.382 3.343 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.195 8.151 4.904 1.00 0.00 H new ATOM 0 HG SER A 5 -2.840 9.095 3.276 1.00 0.00 H new ATOM 48 N SER A 6 -3.883 4.660 2.984 1.00 0.00 N ATOM 49 CA SER A 6 -3.634 3.710 1.907 1.00 0.00 C ATOM 50 C SER A 6 -2.948 4.393 0.727 1.00 0.00 C ATOM 51 O SER A 6 -3.607 4.896 -0.182 1.00 0.00 O ATOM 52 CB SER A 6 -4.947 3.072 1.448 1.00 0.00 C ATOM 53 OG SER A 6 -5.907 4.061 1.118 1.00 0.00 O ATOM 0 H SER A 6 -4.870 4.842 3.167 1.00 0.00 H new ATOM 0 HA SER A 6 -2.973 2.932 2.288 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.763 2.436 0.582 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.338 2.430 2.237 1.00 0.00 H new ATOM 0 HG SER A 6 -5.523 4.685 0.467 1.00 0.00 H new ATOM 59 N GLY A 7 -1.619 4.406 0.750 1.00 0.00 N ATOM 60 CA GLY A 7 -0.865 5.030 -0.321 1.00 0.00 C ATOM 61 C GLY A 7 0.605 4.662 -0.285 1.00 0.00 C ATOM 62 O GLY A 7 1.165 4.216 -1.287 1.00 0.00 O ATOM 0 H GLY A 7 -1.051 3.996 1.491 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.288 4.732 -1.280 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.967 6.113 -0.250 1.00 0.00 H new ATOM 66 N ASP A 8 1.233 4.851 0.870 1.00 0.00 N ATOM 67 CA ASP A 8 2.648 4.537 1.032 1.00 0.00 C ATOM 68 C ASP A 8 2.884 3.032 0.940 1.00 0.00 C ATOM 69 O ASP A 8 2.519 2.280 1.843 1.00 0.00 O ATOM 70 CB ASP A 8 3.159 5.064 2.374 1.00 0.00 C ATOM 71 CG ASP A 8 2.594 6.430 2.712 1.00 0.00 C ATOM 72 OD1 ASP A 8 1.394 6.508 3.053 1.00 0.00 O ATOM 73 OD2 ASP A 8 3.350 7.420 2.637 1.00 0.00 O ATOM 0 H ASP A 8 0.785 5.220 1.708 1.00 0.00 H new ATOM 0 HA ASP A 8 3.198 5.024 0.226 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.895 4.359 3.162 1.00 0.00 H new ATOM 0 HB3 ASP A 8 4.247 5.120 2.349 1.00 0.00 H new ATOM 78 N TYR A 9 3.496 2.601 -0.157 1.00 0.00 N ATOM 79 CA TYR A 9 3.778 1.186 -0.369 1.00 0.00 C ATOM 80 C TYR A 9 4.658 0.633 0.747 1.00 0.00 C ATOM 81 O TYR A 9 4.409 -0.455 1.268 1.00 0.00 O ATOM 82 CB TYR A 9 4.460 0.978 -1.722 1.00 0.00 C ATOM 83 CG TYR A 9 3.611 1.400 -2.900 1.00 0.00 C ATOM 84 CD1 TYR A 9 2.262 1.074 -2.961 1.00 0.00 C ATOM 85 CD2 TYR A 9 4.158 2.125 -3.952 1.00 0.00 C ATOM 86 CE1 TYR A 9 1.482 1.456 -4.036 1.00 0.00 C ATOM 87 CE2 TYR A 9 3.385 2.513 -5.030 1.00 0.00 C ATOM 88 CZ TYR A 9 2.048 2.176 -5.067 1.00 0.00 C ATOM 89 OH TYR A 9 1.275 2.560 -6.138 1.00 0.00 O ATOM 0 H TYR A 9 3.806 3.211 -0.913 1.00 0.00 H new ATOM 0 HA TYR A 9 2.830 0.647 -0.360 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.394 1.540 -1.739 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.719 -0.075 -1.831 1.00 0.00 H new ATOM 0 HD1 TYR A 9 1.815 0.512 -2.154 1.00 0.00 H new ATOM 0 HD2 TYR A 9 5.205 2.390 -3.927 1.00 0.00 H new ATOM 0 HE1 TYR A 9 0.435 1.192 -4.068 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.825 3.077 -5.839 1.00 0.00 H new ATOM 0 HH TYR A 9 1.825 3.060 -6.776 1.00 0.00 H new ATOM 99 N TYR A 10 5.688 1.390 1.110 1.00 0.00 N ATOM 100 CA TYR A 10 6.607 0.976 2.163 1.00 0.00 C ATOM 101 C TYR A 10 5.851 0.634 3.443 1.00 0.00 C ATOM 102 O TYR A 10 6.336 -0.127 4.279 1.00 0.00 O ATOM 103 CB TYR A 10 7.629 2.080 2.440 1.00 0.00 C ATOM 104 CG TYR A 10 8.544 2.365 1.271 1.00 0.00 C ATOM 105 CD1 TYR A 10 9.286 1.350 0.680 1.00 0.00 C ATOM 106 CD2 TYR A 10 8.666 3.650 0.756 1.00 0.00 C ATOM 107 CE1 TYR A 10 10.124 1.607 -0.387 1.00 0.00 C ATOM 108 CE2 TYR A 10 9.500 3.916 -0.312 1.00 0.00 C ATOM 109 CZ TYR A 10 10.228 2.891 -0.880 1.00 0.00 C ATOM 110 OH TYR A 10 11.060 3.150 -1.945 1.00 0.00 O ATOM 0 H TYR A 10 5.907 2.293 0.690 1.00 0.00 H new ATOM 0 HA TYR A 10 7.131 0.083 1.823 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.100 2.995 2.708 1.00 0.00 H new ATOM 0 HB3 TYR A 10 8.233 1.797 3.302 1.00 0.00 H new ATOM 0 HD1 TYR A 10 9.206 0.343 1.062 1.00 0.00 H new ATOM 0 HD2 TYR A 10 8.098 4.455 1.199 1.00 0.00 H new ATOM 0 HE1 TYR A 10 10.695 0.806 -0.833 1.00 0.00 H new ATOM 0 HE2 TYR A 10 9.582 4.920 -0.700 1.00 0.00 H new ATOM 0 HH TYR A 10 11.017 4.103 -2.170 1.00 0.00 H new ATOM 120 N GLN A 11 4.658 1.204 3.588 1.00 0.00 N ATOM 121 CA GLN A 11 3.834 0.960 4.766 1.00 0.00 C ATOM 122 C GLN A 11 2.931 -0.251 4.557 1.00 0.00 C ATOM 123 O GLN A 11 2.718 -1.044 5.475 1.00 0.00 O ATOM 124 CB GLN A 11 2.987 2.194 5.086 1.00 0.00 C ATOM 125 CG GLN A 11 3.748 3.277 5.833 1.00 0.00 C ATOM 126 CD GLN A 11 3.866 2.988 7.317 1.00 0.00 C ATOM 127 OE1 GLN A 11 4.967 2.949 7.868 1.00 0.00 O ATOM 128 NE2 GLN A 11 2.730 2.785 7.973 1.00 0.00 N ATOM 0 H GLN A 11 4.242 1.837 2.905 1.00 0.00 H new ATOM 0 HA GLN A 11 4.497 0.755 5.607 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.600 2.610 4.156 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.127 1.889 5.682 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.746 3.376 5.405 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.244 4.233 5.692 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.840 2.827 7.477 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.747 2.587 8.974 1.00 0.00 H new ATOM 137 N ILE A 12 2.403 -0.387 3.346 1.00 0.00 N ATOM 138 CA ILE A 12 1.523 -1.502 3.017 1.00 0.00 C ATOM 139 C ILE A 12 2.260 -2.833 3.122 1.00 0.00 C ATOM 140 O ILE A 12 1.677 -3.851 3.497 1.00 0.00 O ATOM 141 CB ILE A 12 0.941 -1.361 1.599 1.00 0.00 C ATOM 142 CG1 ILE A 12 0.067 -0.109 1.505 1.00 0.00 C ATOM 143 CG2 ILE A 12 0.141 -2.601 1.229 1.00 0.00 C ATOM 144 CD1 ILE A 12 -0.300 0.267 0.086 1.00 0.00 C ATOM 0 H ILE A 12 2.569 0.261 2.576 1.00 0.00 H new ATOM 0 HA ILE A 12 0.707 -1.483 3.739 1.00 0.00 H new ATOM 0 HB ILE A 12 1.765 -1.260 0.893 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.847 -0.270 2.077 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.591 0.726 1.969 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.264 -2.486 0.224 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.790 -3.476 1.261 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.677 -2.731 1.937 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.920 1.163 0.096 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.608 0.460 -0.486 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.853 -0.551 -0.376 1.00 0.00 H new ATOM 156 N LEU A 13 3.547 -2.818 2.791 1.00 0.00 N ATOM 157 CA LEU A 13 4.366 -4.024 2.849 1.00 0.00 C ATOM 158 C LEU A 13 5.070 -4.139 4.197 1.00 0.00 C ATOM 159 O LEU A 13 5.346 -5.239 4.673 1.00 0.00 O ATOM 160 CB LEU A 13 5.398 -4.018 1.720 1.00 0.00 C ATOM 161 CG LEU A 13 4.887 -4.437 0.341 1.00 0.00 C ATOM 162 CD1 LEU A 13 5.950 -4.193 -0.718 1.00 0.00 C ATOM 163 CD2 LEU A 13 4.464 -5.898 0.350 1.00 0.00 C ATOM 0 H LEU A 13 4.046 -1.984 2.480 1.00 0.00 H new ATOM 0 HA LEU A 13 3.710 -4.886 2.728 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.815 -3.014 1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.216 -4.682 1.999 1.00 0.00 H new ATOM 0 HG LEU A 13 4.015 -3.830 0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.569 -4.497 -1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.203 -3.133 -0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.841 -4.774 -0.480 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.103 -6.178 -0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.317 -6.522 0.615 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.668 -6.042 1.081 1.00 0.00 H new ATOM 175 N GLY A 14 5.357 -2.994 4.809 1.00 0.00 N ATOM 176 CA GLY A 14 6.024 -2.988 6.098 1.00 0.00 C ATOM 177 C GLY A 14 7.535 -3.004 5.968 1.00 0.00 C ATOM 178 O GLY A 14 8.223 -3.688 6.726 1.00 0.00 O ATOM 0 H GLY A 14 5.139 -2.070 4.435 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.720 -2.103 6.657 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.703 -3.856 6.674 1.00 0.00 H new ATOM 182 N VAL A 15 8.053 -2.250 5.004 1.00 0.00 N ATOM 183 CA VAL A 15 9.491 -2.180 4.777 1.00 0.00 C ATOM 184 C VAL A 15 9.989 -0.740 4.841 1.00 0.00 C ATOM 185 O VAL A 15 9.249 0.210 4.587 1.00 0.00 O ATOM 186 CB VAL A 15 9.874 -2.784 3.413 1.00 0.00 C ATOM 187 CG1 VAL A 15 9.832 -4.303 3.471 1.00 0.00 C ATOM 188 CG2 VAL A 15 8.954 -2.258 2.321 1.00 0.00 C ATOM 0 H VAL A 15 7.498 -1.679 4.367 1.00 0.00 H new ATOM 0 HA VAL A 15 9.965 -2.760 5.569 1.00 0.00 H new ATOM 0 HB VAL A 15 10.894 -2.482 3.174 1.00 0.00 H new ATOM 0 HG11 VAL A 15 10.105 -4.712 2.498 1.00 0.00 H new ATOM 0 HG12 VAL A 15 10.535 -4.658 4.225 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.825 -4.629 3.732 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.239 -2.695 1.364 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.924 -2.529 2.552 1.00 0.00 H new ATOM 0 HG23 VAL A 15 9.040 -1.173 2.264 1.00 0.00 H new ATOM 198 N PRO A 16 11.273 -0.573 5.189 1.00 0.00 N ATOM 199 CA PRO A 16 11.900 0.748 5.293 1.00 0.00 C ATOM 200 C PRO A 16 12.079 1.414 3.933 1.00 0.00 C ATOM 201 O PRO A 16 12.127 0.741 2.903 1.00 0.00 O ATOM 202 CB PRO A 16 13.261 0.446 5.924 1.00 0.00 C ATOM 203 CG PRO A 16 13.547 -0.967 5.551 1.00 0.00 C ATOM 204 CD PRO A 16 12.214 -1.661 5.505 1.00 0.00 C ATOM 0 HA PRO A 16 11.292 1.443 5.871 1.00 0.00 H new ATOM 0 HB2 PRO A 16 14.031 1.119 5.546 1.00 0.00 H new ATOM 0 HB3 PRO A 16 13.232 0.571 7.006 1.00 0.00 H new ATOM 0 HG2 PRO A 16 14.049 -1.022 4.585 1.00 0.00 H new ATOM 0 HG3 PRO A 16 14.207 -1.437 6.280 1.00 0.00 H new ATOM 0 HD2 PRO A 16 12.194 -2.443 4.746 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.975 -2.135 6.457 1.00 0.00 H new ATOM 212 N ARG A 17 12.178 2.739 3.937 1.00 0.00 N ATOM 213 CA ARG A 17 12.351 3.496 2.703 1.00 0.00 C ATOM 214 C ARG A 17 13.673 3.140 2.028 1.00 0.00 C ATOM 215 O ARG A 17 13.913 3.507 0.879 1.00 0.00 O ATOM 216 CB ARG A 17 12.300 4.998 2.989 1.00 0.00 C ATOM 217 CG ARG A 17 10.951 5.475 3.501 1.00 0.00 C ATOM 218 CD ARG A 17 10.796 6.979 3.342 1.00 0.00 C ATOM 219 NE ARG A 17 9.888 7.544 4.337 1.00 0.00 N ATOM 220 CZ ARG A 17 10.197 7.676 5.623 1.00 0.00 C ATOM 221 NH1 ARG A 17 11.384 7.287 6.066 1.00 0.00 N ATOM 222 NH2 ARG A 17 9.317 8.199 6.467 1.00 0.00 N ATOM 0 H ARG A 17 12.141 3.311 4.781 1.00 0.00 H new ATOM 0 HA ARG A 17 11.536 3.234 2.028 1.00 0.00 H new ATOM 0 HB2 ARG A 17 13.066 5.246 3.724 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.546 5.542 2.077 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.154 4.966 2.958 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.843 5.206 4.552 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.772 7.455 3.430 1.00 0.00 H new ATOM 0 HD3 ARG A 17 10.422 7.201 2.343 1.00 0.00 H new ATOM 0 HE ARG A 17 8.967 7.854 4.028 1.00 0.00 H new ATOM 0 HH11 ARG A 17 12.063 6.885 5.420 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.619 7.389 7.053 1.00 0.00 H new ATOM 0 HH21 ARG A 17 8.403 8.500 6.129 1.00 0.00 H new ATOM 0 HH22 ARG A 17 9.555 8.300 7.454 1.00 0.00 H new ATOM 236 N ASN A 18 14.526 2.423 2.751 1.00 0.00 N ATOM 237 CA ASN A 18 15.824 2.018 2.223 1.00 0.00 C ATOM 238 C ASN A 18 16.034 0.516 2.388 1.00 0.00 C ATOM 239 O ASN A 18 17.137 0.063 2.694 1.00 0.00 O ATOM 240 CB ASN A 18 16.946 2.782 2.929 1.00 0.00 C ATOM 241 CG ASN A 18 17.265 4.100 2.251 1.00 0.00 C ATOM 242 OD1 ASN A 18 17.810 4.127 1.147 1.00 0.00 O ATOM 243 ND2 ASN A 18 16.925 5.202 2.909 1.00 0.00 N ATOM 0 H ASN A 18 14.342 2.110 3.704 1.00 0.00 H new ATOM 0 HA ASN A 18 15.846 2.255 1.159 1.00 0.00 H new ATOM 0 HB2 ASN A 18 16.659 2.969 3.964 1.00 0.00 H new ATOM 0 HB3 ASN A 18 17.843 2.163 2.954 1.00 0.00 H new ATOM 0 HD21 ASN A 18 17.114 6.118 2.502 1.00 0.00 H new ATOM 0 HD22 ASN A 18 16.475 5.133 3.822 1.00 0.00 H new ATOM 250 N ALA A 19 14.969 -0.251 2.182 1.00 0.00 N ATOM 251 CA ALA A 19 15.037 -1.702 2.305 1.00 0.00 C ATOM 252 C ALA A 19 15.799 -2.317 1.136 1.00 0.00 C ATOM 253 O ALA A 19 16.216 -1.613 0.216 1.00 0.00 O ATOM 254 CB ALA A 19 13.636 -2.290 2.392 1.00 0.00 C ATOM 0 H ALA A 19 14.048 0.108 1.929 1.00 0.00 H new ATOM 0 HA ALA A 19 15.577 -1.940 3.222 1.00 0.00 H new ATOM 0 HB1 ALA A 19 13.701 -3.374 2.483 1.00 0.00 H new ATOM 0 HB2 ALA A 19 13.124 -1.883 3.264 1.00 0.00 H new ATOM 0 HB3 ALA A 19 13.078 -2.035 1.491 1.00 0.00 H new ATOM 260 N SER A 20 15.979 -3.633 1.180 1.00 0.00 N ATOM 261 CA SER A 20 16.696 -4.342 0.126 1.00 0.00 C ATOM 262 C SER A 20 15.724 -5.070 -0.797 1.00 0.00 C ATOM 263 O SER A 20 14.628 -5.450 -0.386 1.00 0.00 O ATOM 264 CB SER A 20 17.683 -5.339 0.735 1.00 0.00 C ATOM 265 OG SER A 20 18.755 -5.603 -0.155 1.00 0.00 O ATOM 0 H SER A 20 15.638 -4.230 1.934 1.00 0.00 H new ATOM 0 HA SER A 20 17.247 -3.608 -0.462 1.00 0.00 H new ATOM 0 HB2 SER A 20 18.073 -4.943 1.672 1.00 0.00 H new ATOM 0 HB3 SER A 20 17.166 -6.269 0.973 1.00 0.00 H new ATOM 0 HG SER A 20 19.373 -6.242 0.258 1.00 0.00 H new ATOM 271 N GLN A 21 16.134 -5.260 -2.047 1.00 0.00 N ATOM 272 CA GLN A 21 15.300 -5.942 -3.029 1.00 0.00 C ATOM 273 C GLN A 21 14.796 -7.274 -2.484 1.00 0.00 C ATOM 274 O GLN A 21 13.759 -7.780 -2.914 1.00 0.00 O ATOM 275 CB GLN A 21 16.082 -6.169 -4.324 1.00 0.00 C ATOM 276 CG GLN A 21 15.202 -6.241 -5.561 1.00 0.00 C ATOM 277 CD GLN A 21 14.816 -4.871 -6.083 1.00 0.00 C ATOM 278 OE1 GLN A 21 15.503 -4.301 -6.931 1.00 0.00 O ATOM 279 NE2 GLN A 21 13.712 -4.334 -5.578 1.00 0.00 N ATOM 0 H GLN A 21 17.038 -4.951 -2.403 1.00 0.00 H new ATOM 0 HA GLN A 21 14.439 -5.308 -3.240 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.804 -5.362 -4.449 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.650 -7.095 -4.238 1.00 0.00 H new ATOM 0 HG2 GLN A 21 15.726 -6.789 -6.344 1.00 0.00 H new ATOM 0 HG3 GLN A 21 14.299 -6.804 -5.327 1.00 0.00 H new ATOM 0 HE21 GLN A 21 13.173 -4.842 -4.877 1.00 0.00 H new ATOM 0 HE22 GLN A 21 13.403 -3.414 -5.891 1.00 0.00 H new ATOM 288 N LYS A 22 15.536 -7.838 -1.536 1.00 0.00 N ATOM 289 CA LYS A 22 15.165 -9.111 -0.931 1.00 0.00 C ATOM 290 C LYS A 22 14.098 -8.914 0.141 1.00 0.00 C ATOM 291 O LYS A 22 13.092 -9.623 0.166 1.00 0.00 O ATOM 292 CB LYS A 22 16.395 -9.788 -0.323 1.00 0.00 C ATOM 293 CG LYS A 22 17.232 -10.552 -1.334 1.00 0.00 C ATOM 294 CD LYS A 22 18.038 -9.612 -2.215 1.00 0.00 C ATOM 295 CE LYS A 22 18.760 -10.365 -3.321 1.00 0.00 C ATOM 296 NZ LYS A 22 20.031 -10.973 -2.840 1.00 0.00 N ATOM 0 H LYS A 22 16.397 -7.433 -1.170 1.00 0.00 H new ATOM 0 HA LYS A 22 14.755 -9.750 -1.713 1.00 0.00 H new ATOM 0 HB2 LYS A 22 17.018 -9.031 0.153 1.00 0.00 H new ATOM 0 HB3 LYS A 22 16.072 -10.474 0.460 1.00 0.00 H new ATOM 0 HG2 LYS A 22 17.907 -11.230 -0.811 1.00 0.00 H new ATOM 0 HG3 LYS A 22 16.581 -11.167 -1.956 1.00 0.00 H new ATOM 0 HD2 LYS A 22 17.376 -8.866 -2.654 1.00 0.00 H new ATOM 0 HD3 LYS A 22 18.764 -9.074 -1.606 1.00 0.00 H new ATOM 0 HE2 LYS A 22 18.109 -11.147 -3.713 1.00 0.00 H new ATOM 0 HE3 LYS A 22 18.972 -9.684 -4.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 20.493 -11.477 -3.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 20.663 -10.225 -2.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 19.826 -11.642 -2.071 1.00 0.00 H new ATOM 310 N GLU A 23 14.324 -7.946 1.024 1.00 0.00 N ATOM 311 CA GLU A 23 13.381 -7.656 2.097 1.00 0.00 C ATOM 312 C GLU A 23 12.011 -7.288 1.533 1.00 0.00 C ATOM 313 O GLU A 23 11.004 -7.337 2.240 1.00 0.00 O ATOM 314 CB GLU A 23 13.906 -6.518 2.974 1.00 0.00 C ATOM 315 CG GLU A 23 14.800 -6.987 4.109 1.00 0.00 C ATOM 316 CD GLU A 23 16.011 -7.756 3.618 1.00 0.00 C ATOM 317 OE1 GLU A 23 17.054 -7.118 3.359 1.00 0.00 O ATOM 318 OE2 GLU A 23 15.917 -8.995 3.492 1.00 0.00 O ATOM 0 H GLU A 23 15.152 -7.350 1.017 1.00 0.00 H new ATOM 0 HA GLU A 23 13.275 -8.554 2.705 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.462 -5.817 2.351 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.060 -5.972 3.391 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.132 -6.124 4.686 1.00 0.00 H new ATOM 0 HG3 GLU A 23 14.223 -7.618 4.784 1.00 0.00 H new ATOM 325 N ILE A 24 11.983 -6.919 0.257 1.00 0.00 N ATOM 326 CA ILE A 24 10.738 -6.543 -0.402 1.00 0.00 C ATOM 327 C ILE A 24 9.984 -7.773 -0.895 1.00 0.00 C ATOM 328 O ILE A 24 8.759 -7.843 -0.801 1.00 0.00 O ATOM 329 CB ILE A 24 10.994 -5.600 -1.592 1.00 0.00 C ATOM 330 CG1 ILE A 24 11.408 -4.214 -1.093 1.00 0.00 C ATOM 331 CG2 ILE A 24 9.754 -5.505 -2.468 1.00 0.00 C ATOM 332 CD1 ILE A 24 11.986 -3.330 -2.176 1.00 0.00 C ATOM 0 H ILE A 24 12.808 -6.872 -0.341 1.00 0.00 H new ATOM 0 HA ILE A 24 10.133 -6.022 0.340 1.00 0.00 H new ATOM 0 HB ILE A 24 11.808 -6.008 -2.191 1.00 0.00 H new ATOM 0 HG12 ILE A 24 10.540 -3.720 -0.656 1.00 0.00 H new ATOM 0 HG13 ILE A 24 12.144 -4.328 -0.297 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.950 -4.835 -3.305 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.500 -6.495 -2.847 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.922 -5.117 -1.880 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.257 -2.364 -1.751 1.00 0.00 H new ATOM 0 HD12 ILE A 24 12.873 -3.803 -2.597 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.245 -3.185 -2.962 1.00 0.00 H new ATOM 344 N LYS A 25 10.725 -8.744 -1.419 1.00 0.00 N ATOM 345 CA LYS A 25 10.128 -9.974 -1.925 1.00 0.00 C ATOM 346 C LYS A 25 9.555 -10.809 -0.785 1.00 0.00 C ATOM 347 O LYS A 25 8.411 -11.261 -0.846 1.00 0.00 O ATOM 348 CB LYS A 25 11.168 -10.790 -2.696 1.00 0.00 C ATOM 349 CG LYS A 25 10.564 -11.883 -3.561 1.00 0.00 C ATOM 350 CD LYS A 25 11.605 -12.913 -3.965 1.00 0.00 C ATOM 351 CE LYS A 25 10.958 -14.156 -4.558 1.00 0.00 C ATOM 352 NZ LYS A 25 11.942 -14.992 -5.300 1.00 0.00 N ATOM 0 H LYS A 25 11.741 -8.702 -1.504 1.00 0.00 H new ATOM 0 HA LYS A 25 9.315 -9.704 -2.599 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.749 -10.118 -3.327 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.862 -11.241 -1.987 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.757 -12.374 -3.018 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.124 -11.440 -4.454 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.289 -12.475 -4.692 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.200 -13.191 -3.095 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.508 -14.747 -3.760 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.152 -13.861 -5.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.463 -15.829 -5.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.354 -14.436 -6.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.698 -15.295 -4.653 1.00 0.00 H new ATOM 366 N LYS A 26 10.356 -11.011 0.256 1.00 0.00 N ATOM 367 CA LYS A 26 9.928 -11.789 1.412 1.00 0.00 C ATOM 368 C LYS A 26 8.693 -11.170 2.058 1.00 0.00 C ATOM 369 O LYS A 26 7.695 -11.852 2.289 1.00 0.00 O ATOM 370 CB LYS A 26 11.061 -11.882 2.438 1.00 0.00 C ATOM 371 CG LYS A 26 11.026 -13.153 3.269 1.00 0.00 C ATOM 372 CD LYS A 26 11.536 -14.348 2.483 1.00 0.00 C ATOM 373 CE LYS A 26 13.041 -14.514 2.634 1.00 0.00 C ATOM 374 NZ LYS A 26 13.476 -15.910 2.352 1.00 0.00 N ATOM 0 H LYS A 26 11.306 -10.646 0.322 1.00 0.00 H new ATOM 0 HA LYS A 26 9.673 -12.792 1.069 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.017 -11.824 1.917 1.00 0.00 H new ATOM 0 HB3 LYS A 26 11.008 -11.021 3.104 1.00 0.00 H new ATOM 0 HG2 LYS A 26 11.633 -13.020 4.165 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.005 -13.344 3.601 1.00 0.00 H new ATOM 0 HD2 LYS A 26 11.033 -15.252 2.826 1.00 0.00 H new ATOM 0 HD3 LYS A 26 11.286 -14.225 1.429 1.00 0.00 H new ATOM 0 HE2 LYS A 26 13.552 -13.830 1.956 1.00 0.00 H new ATOM 0 HE3 LYS A 26 13.337 -14.239 3.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 14.507 -15.982 2.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 13.008 -16.560 3.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 13.217 -16.164 1.378 1.00 0.00 H new ATOM 388 N ALA A 27 8.768 -9.875 2.346 1.00 0.00 N ATOM 389 CA ALA A 27 7.654 -9.164 2.962 1.00 0.00 C ATOM 390 C ALA A 27 6.384 -9.308 2.130 1.00 0.00 C ATOM 391 O ALA A 27 5.324 -9.652 2.653 1.00 0.00 O ATOM 392 CB ALA A 27 8.003 -7.695 3.146 1.00 0.00 C ATOM 0 H ALA A 27 9.588 -9.297 2.163 1.00 0.00 H new ATOM 0 HA ALA A 27 7.468 -9.607 3.940 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.162 -7.176 3.607 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.880 -7.607 3.788 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.217 -7.248 2.175 1.00 0.00 H new ATOM 398 N TYR A 28 6.498 -9.042 0.834 1.00 0.00 N ATOM 399 CA TYR A 28 5.357 -9.138 -0.069 1.00 0.00 C ATOM 400 C TYR A 28 4.681 -10.501 0.051 1.00 0.00 C ATOM 401 O TYR A 28 3.466 -10.590 0.227 1.00 0.00 O ATOM 402 CB TYR A 28 5.802 -8.903 -1.514 1.00 0.00 C ATOM 403 CG TYR A 28 4.787 -9.350 -2.541 1.00 0.00 C ATOM 404 CD1 TYR A 28 3.586 -8.670 -2.701 1.00 0.00 C ATOM 405 CD2 TYR A 28 5.029 -10.453 -3.351 1.00 0.00 C ATOM 406 CE1 TYR A 28 2.655 -9.076 -3.637 1.00 0.00 C ATOM 407 CE2 TYR A 28 4.104 -10.864 -4.292 1.00 0.00 C ATOM 408 CZ TYR A 28 2.919 -10.173 -4.430 1.00 0.00 C ATOM 409 OH TYR A 28 1.995 -10.580 -5.366 1.00 0.00 O ATOM 0 H TYR A 28 7.369 -8.758 0.385 1.00 0.00 H new ATOM 0 HA TYR A 28 4.638 -8.369 0.212 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.005 -7.841 -1.655 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.739 -9.432 -1.687 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.377 -7.809 -2.083 1.00 0.00 H new ATOM 0 HD2 TYR A 28 5.955 -10.998 -3.243 1.00 0.00 H new ATOM 0 HE1 TYR A 28 1.725 -8.537 -3.747 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.308 -11.722 -4.916 1.00 0.00 H new ATOM 0 HH TYR A 28 2.335 -11.366 -5.841 1.00 0.00 H new ATOM 419 N TYR A 29 5.478 -11.559 -0.045 1.00 0.00 N ATOM 420 CA TYR A 29 4.958 -12.918 0.052 1.00 0.00 C ATOM 421 C TYR A 29 4.346 -13.171 1.426 1.00 0.00 C ATOM 422 O TYR A 29 3.294 -13.800 1.542 1.00 0.00 O ATOM 423 CB TYR A 29 6.070 -13.933 -0.219 1.00 0.00 C ATOM 424 CG TYR A 29 6.206 -14.309 -1.677 1.00 0.00 C ATOM 425 CD1 TYR A 29 5.099 -14.705 -2.418 1.00 0.00 C ATOM 426 CD2 TYR A 29 7.440 -14.270 -2.313 1.00 0.00 C ATOM 427 CE1 TYR A 29 5.218 -15.050 -3.750 1.00 0.00 C ATOM 428 CE2 TYR A 29 7.568 -14.612 -3.645 1.00 0.00 C ATOM 429 CZ TYR A 29 6.454 -15.002 -4.359 1.00 0.00 C ATOM 430 OH TYR A 29 6.578 -15.345 -5.686 1.00 0.00 O ATOM 0 H TYR A 29 6.486 -11.502 -0.190 1.00 0.00 H new ATOM 0 HA TYR A 29 4.178 -13.035 -0.700 1.00 0.00 H new ATOM 0 HB2 TYR A 29 7.017 -13.523 0.132 1.00 0.00 H new ATOM 0 HB3 TYR A 29 5.877 -14.834 0.363 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.129 -14.744 -1.944 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.315 -13.967 -1.756 1.00 0.00 H new ATOM 0 HE1 TYR A 29 4.348 -15.356 -4.312 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.535 -14.574 -4.125 1.00 0.00 H new ATOM 0 HH TYR A 29 7.515 -15.256 -5.961 1.00 0.00 H new ATOM 440 N GLN A 30 5.013 -12.677 2.464 1.00 0.00 N ATOM 441 CA GLN A 30 4.535 -12.849 3.830 1.00 0.00 C ATOM 442 C GLN A 30 3.112 -12.320 3.981 1.00 0.00 C ATOM 443 O GLN A 30 2.257 -12.972 4.582 1.00 0.00 O ATOM 444 CB GLN A 30 5.464 -12.132 4.812 1.00 0.00 C ATOM 445 CG GLN A 30 6.787 -12.849 5.031 1.00 0.00 C ATOM 446 CD GLN A 30 6.716 -13.880 6.139 1.00 0.00 C ATOM 447 OE1 GLN A 30 7.138 -13.626 7.268 1.00 0.00 O ATOM 448 NE2 GLN A 30 6.179 -15.053 5.824 1.00 0.00 N ATOM 0 H GLN A 30 5.886 -12.155 2.385 1.00 0.00 H new ATOM 0 HA GLN A 30 4.532 -13.916 4.055 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.662 -11.126 4.443 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.955 -12.026 5.770 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.089 -13.337 4.104 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.558 -12.116 5.271 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.842 -15.221 4.876 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.104 -15.785 6.530 1.00 0.00 H new ATOM 457 N LEU A 31 2.866 -11.136 3.432 1.00 0.00 N ATOM 458 CA LEU A 31 1.546 -10.519 3.505 1.00 0.00 C ATOM 459 C LEU A 31 0.585 -11.170 2.516 1.00 0.00 C ATOM 460 O LEU A 31 -0.563 -11.461 2.850 1.00 0.00 O ATOM 461 CB LEU A 31 1.646 -9.019 3.224 1.00 0.00 C ATOM 462 CG LEU A 31 2.270 -8.169 4.332 1.00 0.00 C ATOM 463 CD1 LEU A 31 2.969 -6.954 3.742 1.00 0.00 C ATOM 464 CD2 LEU A 31 1.211 -7.741 5.337 1.00 0.00 C ATOM 0 H LEU A 31 3.563 -10.584 2.932 1.00 0.00 H new ATOM 0 HA LEU A 31 1.158 -10.669 4.512 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.229 -8.878 2.314 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.644 -8.640 3.023 1.00 0.00 H new ATOM 0 HG LEU A 31 3.013 -8.773 4.853 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.407 -6.361 4.545 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.755 -7.281 3.062 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.246 -6.348 3.196 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.673 -7.137 6.118 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.445 -7.154 4.830 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.755 -8.625 5.784 1.00 0.00 H new ATOM 476 N ALA A 32 1.063 -11.398 1.297 1.00 0.00 N ATOM 477 CA ALA A 32 0.248 -12.018 0.260 1.00 0.00 C ATOM 478 C ALA A 32 -0.443 -13.273 0.782 1.00 0.00 C ATOM 479 O ALA A 32 -1.668 -13.319 0.894 1.00 0.00 O ATOM 480 CB ALA A 32 1.102 -12.351 -0.955 1.00 0.00 C ATOM 0 H ALA A 32 2.011 -11.162 1.004 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.523 -11.306 -0.035 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.480 -12.813 -1.721 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.545 -11.437 -1.350 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.894 -13.042 -0.665 1.00 0.00 H new ATOM 486 N LYS A 33 0.350 -14.290 1.101 1.00 0.00 N ATOM 487 CA LYS A 33 -0.185 -15.547 1.612 1.00 0.00 C ATOM 488 C LYS A 33 -1.196 -15.294 2.727 1.00 0.00 C ATOM 489 O LYS A 33 -2.205 -15.991 2.833 1.00 0.00 O ATOM 490 CB LYS A 33 0.949 -16.435 2.130 1.00 0.00 C ATOM 491 CG LYS A 33 0.652 -17.921 2.030 1.00 0.00 C ATOM 492 CD LYS A 33 -0.090 -18.424 3.257 1.00 0.00 C ATOM 493 CE LYS A 33 -0.463 -19.892 3.119 1.00 0.00 C ATOM 494 NZ LYS A 33 -1.605 -20.259 4.001 1.00 0.00 N ATOM 0 H LYS A 33 1.366 -14.269 1.015 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.692 -16.057 0.793 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.857 -16.216 1.568 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.150 -16.183 3.171 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.056 -18.115 1.138 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.585 -18.473 1.916 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.532 -18.287 4.141 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.992 -17.831 3.407 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.722 -20.105 2.082 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.400 -20.511 3.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.829 -21.267 3.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.349 -20.080 4.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.436 -19.687 3.749 1.00 0.00 H new ATOM 508 N LYS A 34 -0.918 -14.293 3.555 1.00 0.00 N ATOM 509 CA LYS A 34 -1.804 -13.946 4.660 1.00 0.00 C ATOM 510 C LYS A 34 -3.138 -13.417 4.142 1.00 0.00 C ATOM 511 O LYS A 34 -4.195 -13.725 4.694 1.00 0.00 O ATOM 512 CB LYS A 34 -1.144 -12.900 5.561 1.00 0.00 C ATOM 513 CG LYS A 34 -2.066 -12.355 6.638 1.00 0.00 C ATOM 514 CD LYS A 34 -1.632 -10.974 7.097 1.00 0.00 C ATOM 515 CE LYS A 34 -0.647 -11.055 8.254 1.00 0.00 C ATOM 516 NZ LYS A 34 0.052 -9.759 8.479 1.00 0.00 N ATOM 0 H LYS A 34 -0.086 -13.708 3.482 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.992 -14.850 5.240 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.267 -13.342 6.035 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.790 -12.073 4.945 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.086 -12.309 6.256 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.075 -13.036 7.489 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.174 -10.440 6.264 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.507 -10.399 7.402 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.176 -11.345 9.162 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.088 -11.834 8.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.542 -9.784 9.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.745 -9.602 7.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.643 -8.985 8.479 1.00 0.00 H new ATOM 530 N TYR A 35 -3.082 -12.621 3.080 1.00 0.00 N ATOM 531 CA TYR A 35 -4.285 -12.049 2.489 1.00 0.00 C ATOM 532 C TYR A 35 -4.585 -12.689 1.136 1.00 0.00 C ATOM 533 O TYR A 35 -4.991 -12.010 0.192 1.00 0.00 O ATOM 534 CB TYR A 35 -4.130 -10.536 2.327 1.00 0.00 C ATOM 535 CG TYR A 35 -3.974 -9.800 3.638 1.00 0.00 C ATOM 536 CD1 TYR A 35 -4.991 -9.805 4.585 1.00 0.00 C ATOM 537 CD2 TYR A 35 -2.811 -9.098 3.930 1.00 0.00 C ATOM 538 CE1 TYR A 35 -4.854 -9.133 5.784 1.00 0.00 C ATOM 539 CE2 TYR A 35 -2.664 -8.425 5.127 1.00 0.00 C ATOM 540 CZ TYR A 35 -3.688 -8.445 6.051 1.00 0.00 C ATOM 541 OH TYR A 35 -3.547 -7.774 7.244 1.00 0.00 O ATOM 0 H TYR A 35 -2.216 -12.357 2.611 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.120 -12.252 3.160 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -3.261 -10.333 1.700 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.001 -10.144 1.801 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -5.904 -10.344 4.380 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.008 -9.078 3.208 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.655 -9.146 6.508 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.752 -7.886 5.338 1.00 0.00 H new ATOM 0 HH TYR A 35 -2.668 -7.343 7.275 1.00 0.00 H new ATOM 551 N HIS A 36 -4.382 -13.999 1.051 1.00 0.00 N ATOM 552 CA HIS A 36 -4.632 -14.733 -0.185 1.00 0.00 C ATOM 553 C HIS A 36 -6.118 -15.041 -0.344 1.00 0.00 C ATOM 554 O HIS A 36 -6.813 -15.373 0.616 1.00 0.00 O ATOM 555 CB HIS A 36 -3.825 -16.031 -0.204 1.00 0.00 C ATOM 556 CG HIS A 36 -3.431 -16.472 -1.580 1.00 0.00 C ATOM 557 ND1 HIS A 36 -4.173 -17.364 -2.325 1.00 0.00 N ATOM 558 CD2 HIS A 36 -2.368 -16.137 -2.347 1.00 0.00 C ATOM 559 CE1 HIS A 36 -3.581 -17.560 -3.490 1.00 0.00 C ATOM 560 NE2 HIS A 36 -2.484 -16.827 -3.529 1.00 0.00 N ATOM 0 H HIS A 36 -4.045 -14.575 1.823 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.318 -14.107 -1.020 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -2.926 -15.899 0.397 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -4.411 -16.820 0.268 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -1.575 -15.454 -2.080 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -3.935 -18.210 -4.277 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -1.829 -16.781 -4.310 1.00 0.00 H new ATOM 568 N PRO A 37 -6.617 -14.927 -1.583 1.00 0.00 N ATOM 569 CA PRO A 37 -8.025 -15.188 -1.897 1.00 0.00 C ATOM 570 C PRO A 37 -8.379 -16.667 -1.784 1.00 0.00 C ATOM 571 O PRO A 37 -9.514 -17.021 -1.468 1.00 0.00 O ATOM 572 CB PRO A 37 -8.159 -14.715 -3.346 1.00 0.00 C ATOM 573 CG PRO A 37 -6.785 -14.828 -3.911 1.00 0.00 C ATOM 574 CD PRO A 37 -5.845 -14.534 -2.775 1.00 0.00 C ATOM 0 HA PRO A 37 -8.698 -14.681 -1.205 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.867 -15.332 -3.900 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.524 -13.689 -3.395 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.610 -15.825 -4.314 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.640 -14.123 -4.730 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.920 -15.104 -2.861 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.568 -13.480 -2.745 1.00 0.00 H new ATOM 582 N ASP A 38 -7.399 -17.526 -2.045 1.00 0.00 N ATOM 583 CA ASP A 38 -7.607 -18.968 -1.972 1.00 0.00 C ATOM 584 C ASP A 38 -7.823 -19.413 -0.529 1.00 0.00 C ATOM 585 O ASP A 38 -8.325 -20.508 -0.273 1.00 0.00 O ATOM 586 CB ASP A 38 -6.412 -19.708 -2.574 1.00 0.00 C ATOM 587 CG ASP A 38 -5.314 -19.957 -1.558 1.00 0.00 C ATOM 588 OD1 ASP A 38 -5.065 -19.062 -0.723 1.00 0.00 O ATOM 589 OD2 ASP A 38 -4.702 -21.045 -1.599 1.00 0.00 O ATOM 0 H ASP A 38 -6.453 -17.249 -2.309 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.501 -19.211 -2.546 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.747 -20.661 -2.984 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.010 -19.128 -3.405 1.00 0.00 H new ATOM 594 N THR A 39 -7.440 -18.557 0.413 1.00 0.00 N ATOM 595 CA THR A 39 -7.589 -18.862 1.830 1.00 0.00 C ATOM 596 C THR A 39 -8.586 -17.919 2.494 1.00 0.00 C ATOM 597 O THR A 39 -9.006 -18.143 3.629 1.00 0.00 O ATOM 598 CB THR A 39 -6.241 -18.769 2.570 1.00 0.00 C ATOM 599 OG1 THR A 39 -5.613 -17.514 2.287 1.00 0.00 O ATOM 600 CG2 THR A 39 -5.319 -19.907 2.160 1.00 0.00 C ATOM 0 H THR A 39 -7.024 -17.646 0.220 1.00 0.00 H new ATOM 0 HA THR A 39 -7.961 -19.884 1.895 1.00 0.00 H new ATOM 0 HB THR A 39 -6.433 -18.846 3.640 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.257 -16.916 1.854 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.374 -19.820 2.695 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.788 -20.861 2.403 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.134 -19.857 1.087 1.00 0.00 H new ATOM 608 N ASN A 40 -8.963 -16.864 1.778 1.00 0.00 N ATOM 609 CA ASN A 40 -9.912 -15.887 2.299 1.00 0.00 C ATOM 610 C ASN A 40 -11.229 -15.947 1.532 1.00 0.00 C ATOM 611 O ASN A 40 -11.662 -14.957 0.940 1.00 0.00 O ATOM 612 CB ASN A 40 -9.322 -14.477 2.213 1.00 0.00 C ATOM 613 CG ASN A 40 -8.553 -14.095 3.464 1.00 0.00 C ATOM 614 OD1 ASN A 40 -9.106 -14.076 4.564 1.00 0.00 O ATOM 615 ND2 ASN A 40 -7.272 -13.789 3.299 1.00 0.00 N ATOM 0 H ASN A 40 -8.626 -16.664 0.836 1.00 0.00 H new ATOM 0 HA ASN A 40 -10.109 -16.128 3.344 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -8.660 -14.415 1.350 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -10.126 -13.759 2.050 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -6.703 -13.524 4.103 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -6.856 -13.819 2.368 1.00 0.00 H new ATOM 622 N LYS A 41 -11.864 -17.114 1.548 1.00 0.00 N ATOM 623 CA LYS A 41 -13.134 -17.304 0.857 1.00 0.00 C ATOM 624 C LYS A 41 -14.222 -16.426 1.467 1.00 0.00 C ATOM 625 O LYS A 41 -14.963 -15.752 0.750 1.00 0.00 O ATOM 626 CB LYS A 41 -13.556 -18.774 0.918 1.00 0.00 C ATOM 627 CG LYS A 41 -12.672 -19.695 0.096 1.00 0.00 C ATOM 628 CD LYS A 41 -13.179 -21.127 0.124 1.00 0.00 C ATOM 629 CE LYS A 41 -14.153 -21.396 -1.013 1.00 0.00 C ATOM 630 NZ LYS A 41 -14.930 -22.647 -0.793 1.00 0.00 N ATOM 0 H LYS A 41 -11.520 -17.943 2.032 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.999 -17.014 -0.185 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.544 -19.104 1.957 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.584 -18.863 0.568 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.635 -19.341 -0.934 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.653 -19.661 0.481 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -12.336 -21.814 0.052 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -13.669 -21.322 1.078 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.839 -20.555 -1.110 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.604 -21.470 -1.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -15.582 -22.795 -1.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.277 -23.454 -0.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -15.474 -22.567 0.090 1.00 0.00 H new ATOM 644 N ASP A 42 -14.313 -16.438 2.792 1.00 0.00 N ATOM 645 CA ASP A 42 -15.309 -15.641 3.498 1.00 0.00 C ATOM 646 C ASP A 42 -14.752 -14.266 3.854 1.00 0.00 C ATOM 647 O ASP A 42 -15.250 -13.600 4.762 1.00 0.00 O ATOM 648 CB ASP A 42 -15.767 -16.364 4.765 1.00 0.00 C ATOM 649 CG ASP A 42 -17.092 -15.840 5.284 1.00 0.00 C ATOM 650 OD1 ASP A 42 -17.388 -14.648 5.057 1.00 0.00 O ATOM 651 OD2 ASP A 42 -17.833 -16.622 5.917 1.00 0.00 O ATOM 0 H ASP A 42 -13.709 -16.991 3.399 1.00 0.00 H new ATOM 0 HA ASP A 42 -16.165 -15.506 2.837 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -15.857 -17.431 4.559 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -15.007 -16.252 5.539 1.00 0.00 H new ATOM 656 N ASP A 43 -13.716 -13.849 3.135 1.00 0.00 N ATOM 657 CA ASP A 43 -13.090 -12.554 3.376 1.00 0.00 C ATOM 658 C ASP A 43 -12.942 -11.772 2.074 1.00 0.00 C ATOM 659 O ASP A 43 -11.907 -11.814 1.410 1.00 0.00 O ATOM 660 CB ASP A 43 -11.721 -12.739 4.032 1.00 0.00 C ATOM 661 CG ASP A 43 -11.804 -12.767 5.546 1.00 0.00 C ATOM 662 OD1 ASP A 43 -12.395 -11.831 6.125 1.00 0.00 O ATOM 663 OD2 ASP A 43 -11.279 -13.724 6.151 1.00 0.00 O ATOM 0 H ASP A 43 -13.292 -14.389 2.381 1.00 0.00 H new ATOM 0 HA ASP A 43 -13.733 -11.987 4.049 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.274 -13.668 3.678 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.060 -11.929 3.722 1.00 0.00 H new ATOM 668 N PRO A 44 -14.003 -11.041 1.700 1.00 0.00 N ATOM 669 CA PRO A 44 -14.016 -10.236 0.475 1.00 0.00 C ATOM 670 C PRO A 44 -13.091 -9.027 0.566 1.00 0.00 C ATOM 671 O PRO A 44 -12.525 -8.588 -0.436 1.00 0.00 O ATOM 672 CB PRO A 44 -15.474 -9.786 0.361 1.00 0.00 C ATOM 673 CG PRO A 44 -15.989 -9.813 1.759 1.00 0.00 C ATOM 674 CD PRO A 44 -15.270 -10.943 2.443 1.00 0.00 C ATOM 0 HA PRO A 44 -13.662 -10.801 -0.387 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -15.548 -8.787 -0.069 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -16.045 -10.453 -0.284 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -15.798 -8.866 2.264 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -17.067 -9.970 1.775 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.101 -10.731 3.499 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -15.839 -11.871 2.391 1.00 0.00 H new ATOM 682 N LYS A 45 -12.941 -8.492 1.773 1.00 0.00 N ATOM 683 CA LYS A 45 -12.083 -7.334 1.996 1.00 0.00 C ATOM 684 C LYS A 45 -10.634 -7.655 1.645 1.00 0.00 C ATOM 685 O LYS A 45 -9.859 -6.765 1.295 1.00 0.00 O ATOM 686 CB LYS A 45 -12.177 -6.877 3.454 1.00 0.00 C ATOM 687 CG LYS A 45 -13.268 -5.850 3.700 1.00 0.00 C ATOM 688 CD LYS A 45 -12.901 -4.495 3.118 1.00 0.00 C ATOM 689 CE LYS A 45 -13.761 -3.386 3.702 1.00 0.00 C ATOM 690 NZ LYS A 45 -13.098 -2.056 3.597 1.00 0.00 N ATOM 0 H LYS A 45 -13.403 -8.842 2.612 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.426 -6.529 1.346 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -12.358 -7.746 4.087 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -11.218 -6.456 3.757 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.202 -6.196 3.257 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.441 -5.752 4.772 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -11.850 -4.285 3.317 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.022 -4.518 2.035 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.718 -3.357 3.182 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -13.974 -3.604 4.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -13.716 -1.327 4.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -12.196 -2.076 4.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -12.918 -1.836 2.597 1.00 0.00 H new ATOM 704 N ALA A 46 -10.276 -8.931 1.740 1.00 0.00 N ATOM 705 CA ALA A 46 -8.920 -9.369 1.429 1.00 0.00 C ATOM 706 C ALA A 46 -8.566 -9.068 -0.023 1.00 0.00 C ATOM 707 O ALA A 46 -7.459 -8.619 -0.323 1.00 0.00 O ATOM 708 CB ALA A 46 -8.768 -10.856 1.715 1.00 0.00 C ATOM 0 H ALA A 46 -10.905 -9.680 2.030 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.230 -8.815 2.066 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.751 -11.170 1.479 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.971 -11.046 2.769 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.473 -11.418 1.103 1.00 0.00 H new ATOM 714 N LYS A 47 -9.511 -9.319 -0.922 1.00 0.00 N ATOM 715 CA LYS A 47 -9.300 -9.074 -2.344 1.00 0.00 C ATOM 716 C LYS A 47 -8.632 -7.722 -2.570 1.00 0.00 C ATOM 717 O LYS A 47 -7.561 -7.641 -3.171 1.00 0.00 O ATOM 718 CB LYS A 47 -10.632 -9.130 -3.096 1.00 0.00 C ATOM 719 CG LYS A 47 -10.489 -9.516 -4.557 1.00 0.00 C ATOM 720 CD LYS A 47 -10.067 -8.331 -5.409 1.00 0.00 C ATOM 721 CE LYS A 47 -11.255 -7.455 -5.774 1.00 0.00 C ATOM 722 NZ LYS A 47 -10.835 -6.074 -6.141 1.00 0.00 N ATOM 0 H LYS A 47 -10.432 -9.692 -0.691 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.641 -9.853 -2.727 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.289 -9.846 -2.602 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.117 -8.156 -3.032 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.753 -10.314 -4.653 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.437 -9.910 -4.924 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.329 -7.738 -4.869 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.585 -8.689 -6.319 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -11.794 -7.904 -6.608 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -11.947 -7.413 -4.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.674 -5.509 -6.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.342 -5.636 -5.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.195 -6.112 -6.960 1.00 0.00 H new ATOM 736 N GLU A 48 -9.271 -6.662 -2.083 1.00 0.00 N ATOM 737 CA GLU A 48 -8.737 -5.314 -2.233 1.00 0.00 C ATOM 738 C GLU A 48 -7.359 -5.200 -1.588 1.00 0.00 C ATOM 739 O GLU A 48 -6.485 -4.488 -2.084 1.00 0.00 O ATOM 740 CB GLU A 48 -9.690 -4.292 -1.608 1.00 0.00 C ATOM 741 CG GLU A 48 -9.609 -2.916 -2.247 1.00 0.00 C ATOM 742 CD GLU A 48 -10.086 -1.814 -1.320 1.00 0.00 C ATOM 743 OE1 GLU A 48 -9.974 -1.986 -0.088 1.00 0.00 O ATOM 744 OE2 GLU A 48 -10.572 -0.781 -1.826 1.00 0.00 O ATOM 0 H GLU A 48 -10.158 -6.711 -1.582 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.639 -5.106 -3.298 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.712 -4.662 -1.691 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.468 -4.203 -0.545 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.579 -2.717 -2.543 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.209 -2.906 -3.157 1.00 0.00 H new ATOM 751 N LYS A 49 -7.170 -5.907 -0.479 1.00 0.00 N ATOM 752 CA LYS A 49 -5.899 -5.887 0.235 1.00 0.00 C ATOM 753 C LYS A 49 -4.785 -6.481 -0.622 1.00 0.00 C ATOM 754 O LYS A 49 -3.685 -5.933 -0.694 1.00 0.00 O ATOM 755 CB LYS A 49 -6.016 -6.664 1.548 1.00 0.00 C ATOM 756 CG LYS A 49 -6.532 -5.827 2.706 1.00 0.00 C ATOM 757 CD LYS A 49 -6.265 -6.499 4.042 1.00 0.00 C ATOM 758 CE LYS A 49 -7.247 -6.033 5.106 1.00 0.00 C ATOM 759 NZ LYS A 49 -6.705 -6.217 6.481 1.00 0.00 N ATOM 0 H LYS A 49 -7.882 -6.502 -0.055 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.650 -4.849 0.455 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.682 -7.514 1.400 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.038 -7.068 1.810 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -6.055 -4.847 2.689 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.603 -5.662 2.588 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.337 -7.581 3.927 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.247 -6.280 4.364 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.483 -4.981 4.947 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.180 -6.587 5.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.491 -6.336 7.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.099 -7.062 6.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.146 -5.382 6.748 1.00 0.00 H new ATOM 773 N PHE A 50 -5.078 -7.604 -1.270 1.00 0.00 N ATOM 774 CA PHE A 50 -4.101 -8.272 -2.122 1.00 0.00 C ATOM 775 C PHE A 50 -3.630 -7.345 -3.239 1.00 0.00 C ATOM 776 O PHE A 50 -2.431 -7.188 -3.466 1.00 0.00 O ATOM 777 CB PHE A 50 -4.701 -9.546 -2.720 1.00 0.00 C ATOM 778 CG PHE A 50 -3.676 -10.597 -3.041 1.00 0.00 C ATOM 779 CD1 PHE A 50 -2.838 -11.090 -2.055 1.00 0.00 C ATOM 780 CD2 PHE A 50 -3.553 -11.092 -4.329 1.00 0.00 C ATOM 781 CE1 PHE A 50 -1.894 -12.057 -2.348 1.00 0.00 C ATOM 782 CE2 PHE A 50 -2.611 -12.059 -4.628 1.00 0.00 C ATOM 783 CZ PHE A 50 -1.782 -12.542 -3.636 1.00 0.00 C ATOM 0 H PHE A 50 -5.984 -8.070 -1.221 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.241 -8.538 -1.507 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.427 -9.960 -2.020 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.245 -9.290 -3.629 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.923 -10.715 -1.046 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -4.200 -10.718 -5.109 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.245 -12.432 -1.571 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.524 -12.436 -5.636 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.047 -13.298 -3.867 1.00 0.00 H new ATOM 793 N SER A 51 -4.584 -6.734 -3.934 1.00 0.00 N ATOM 794 CA SER A 51 -4.269 -5.827 -5.031 1.00 0.00 C ATOM 795 C SER A 51 -3.228 -4.797 -4.602 1.00 0.00 C ATOM 796 O SER A 51 -2.310 -4.476 -5.357 1.00 0.00 O ATOM 797 CB SER A 51 -5.535 -5.117 -5.515 1.00 0.00 C ATOM 798 OG SER A 51 -5.323 -4.493 -6.769 1.00 0.00 O ATOM 0 H SER A 51 -5.582 -6.851 -3.757 1.00 0.00 H new ATOM 0 HA SER A 51 -3.857 -6.417 -5.850 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.350 -5.836 -5.597 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.840 -4.371 -4.781 1.00 0.00 H new ATOM 0 HG SER A 51 -6.147 -4.048 -7.056 1.00 0.00 H new ATOM 804 N GLN A 52 -3.379 -4.284 -3.385 1.00 0.00 N ATOM 805 CA GLN A 52 -2.453 -3.290 -2.855 1.00 0.00 C ATOM 806 C GLN A 52 -1.050 -3.872 -2.717 1.00 0.00 C ATOM 807 O GLN A 52 -0.062 -3.228 -3.072 1.00 0.00 O ATOM 808 CB GLN A 52 -2.941 -2.779 -1.499 1.00 0.00 C ATOM 809 CG GLN A 52 -4.312 -2.124 -1.554 1.00 0.00 C ATOM 810 CD GLN A 52 -4.511 -1.095 -0.458 1.00 0.00 C ATOM 811 OE1 GLN A 52 -4.392 0.108 -0.690 1.00 0.00 O ATOM 812 NE2 GLN A 52 -4.817 -1.565 0.746 1.00 0.00 N ATOM 0 H GLN A 52 -4.133 -4.540 -2.748 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.414 -2.457 -3.557 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.973 -3.612 -0.796 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.220 -2.061 -1.109 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.443 -1.646 -2.525 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.081 -2.892 -1.470 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.906 -2.570 0.894 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.963 -0.921 1.523 1.00 0.00 H new ATOM 821 N LEU A 53 -0.970 -5.094 -2.200 1.00 0.00 N ATOM 822 CA LEU A 53 0.313 -5.763 -2.015 1.00 0.00 C ATOM 823 C LEU A 53 1.030 -5.944 -3.349 1.00 0.00 C ATOM 824 O LEU A 53 2.140 -5.447 -3.541 1.00 0.00 O ATOM 825 CB LEU A 53 0.108 -7.123 -1.344 1.00 0.00 C ATOM 826 CG LEU A 53 -0.342 -7.090 0.117 1.00 0.00 C ATOM 827 CD1 LEU A 53 -0.664 -8.492 0.608 1.00 0.00 C ATOM 828 CD2 LEU A 53 0.727 -6.449 0.989 1.00 0.00 C ATOM 0 H LEU A 53 -1.778 -5.641 -1.902 1.00 0.00 H new ATOM 0 HA LEU A 53 0.933 -5.137 -1.373 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.631 -7.681 -1.918 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.044 -7.679 -1.403 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.248 -6.487 0.185 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.982 -8.449 1.650 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.465 -8.915 0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.224 -9.119 0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.390 -6.434 2.026 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.650 -7.025 0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.908 -5.429 0.651 1.00 0.00 H new ATOM 840 N ALA A 54 0.388 -6.657 -4.268 1.00 0.00 N ATOM 841 CA ALA A 54 0.963 -6.900 -5.586 1.00 0.00 C ATOM 842 C ALA A 54 1.351 -5.591 -6.265 1.00 0.00 C ATOM 843 O ALA A 54 2.433 -5.477 -6.840 1.00 0.00 O ATOM 844 CB ALA A 54 -0.015 -7.678 -6.453 1.00 0.00 C ATOM 0 H ALA A 54 -0.531 -7.077 -4.125 1.00 0.00 H new ATOM 0 HA ALA A 54 1.868 -7.494 -5.457 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.427 -7.852 -7.434 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.239 -8.635 -5.981 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.936 -7.105 -6.567 1.00 0.00 H new ATOM 850 N GLU A 55 0.460 -4.607 -6.195 1.00 0.00 N ATOM 851 CA GLU A 55 0.711 -3.306 -6.805 1.00 0.00 C ATOM 852 C GLU A 55 1.973 -2.669 -6.231 1.00 0.00 C ATOM 853 O GLU A 55 2.834 -2.195 -6.971 1.00 0.00 O ATOM 854 CB GLU A 55 -0.486 -2.378 -6.589 1.00 0.00 C ATOM 855 CG GLU A 55 -0.412 -1.092 -7.395 1.00 0.00 C ATOM 856 CD GLU A 55 -1.525 -0.121 -7.048 1.00 0.00 C ATOM 857 OE1 GLU A 55 -1.532 0.390 -5.909 1.00 0.00 O ATOM 858 OE2 GLU A 55 -2.388 0.126 -7.916 1.00 0.00 O ATOM 0 H GLU A 55 -0.441 -4.685 -5.723 1.00 0.00 H new ATOM 0 HA GLU A 55 0.857 -3.457 -7.875 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.400 -2.910 -6.853 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.556 -2.130 -5.530 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.551 -0.613 -7.220 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.461 -1.330 -8.458 1.00 0.00 H new ATOM 865 N ALA A 56 2.074 -2.662 -4.906 1.00 0.00 N ATOM 866 CA ALA A 56 3.230 -2.085 -4.231 1.00 0.00 C ATOM 867 C ALA A 56 4.506 -2.845 -4.581 1.00 0.00 C ATOM 868 O ALA A 56 5.533 -2.242 -4.893 1.00 0.00 O ATOM 869 CB ALA A 56 3.014 -2.078 -2.725 1.00 0.00 C ATOM 0 H ALA A 56 1.369 -3.049 -4.279 1.00 0.00 H new ATOM 0 HA ALA A 56 3.344 -1.057 -4.575 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.885 -1.644 -2.234 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.131 -1.485 -2.487 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.871 -3.100 -2.373 1.00 0.00 H new ATOM 875 N TYR A 57 4.433 -4.170 -4.526 1.00 0.00 N ATOM 876 CA TYR A 57 5.583 -5.012 -4.834 1.00 0.00 C ATOM 877 C TYR A 57 6.062 -4.778 -6.263 1.00 0.00 C ATOM 878 O TYR A 57 7.261 -4.665 -6.515 1.00 0.00 O ATOM 879 CB TYR A 57 5.228 -6.487 -4.638 1.00 0.00 C ATOM 880 CG TYR A 57 6.240 -7.438 -5.237 1.00 0.00 C ATOM 881 CD1 TYR A 57 7.363 -7.831 -4.519 1.00 0.00 C ATOM 882 CD2 TYR A 57 6.073 -7.944 -6.520 1.00 0.00 C ATOM 883 CE1 TYR A 57 8.290 -8.698 -5.063 1.00 0.00 C ATOM 884 CE2 TYR A 57 6.994 -8.813 -7.071 1.00 0.00 C ATOM 885 CZ TYR A 57 8.102 -9.187 -6.339 1.00 0.00 C ATOM 886 OH TYR A 57 9.023 -10.052 -6.883 1.00 0.00 O ATOM 0 H TYR A 57 3.590 -4.684 -4.271 1.00 0.00 H new ATOM 0 HA TYR A 57 6.390 -4.745 -4.152 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.137 -6.691 -3.571 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.252 -6.680 -5.084 1.00 0.00 H new ATOM 0 HD1 TYR A 57 7.513 -7.452 -3.519 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.208 -7.653 -7.097 1.00 0.00 H new ATOM 0 HE1 TYR A 57 9.158 -8.992 -4.492 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.848 -9.198 -8.069 1.00 0.00 H new ATOM 0 HH TYR A 57 8.742 -10.303 -7.788 1.00 0.00 H new ATOM 896 N GLU A 58 5.116 -4.706 -7.193 1.00 0.00 N ATOM 897 CA GLU A 58 5.441 -4.485 -8.598 1.00 0.00 C ATOM 898 C GLU A 58 6.298 -3.233 -8.767 1.00 0.00 C ATOM 899 O GLU A 58 7.267 -3.229 -9.526 1.00 0.00 O ATOM 900 CB GLU A 58 4.162 -4.357 -9.427 1.00 0.00 C ATOM 901 CG GLU A 58 4.413 -4.240 -10.921 1.00 0.00 C ATOM 902 CD GLU A 58 5.432 -5.245 -11.421 1.00 0.00 C ATOM 903 OE1 GLU A 58 5.289 -6.444 -11.100 1.00 0.00 O ATOM 904 OE2 GLU A 58 6.372 -4.834 -12.133 1.00 0.00 O ATOM 0 H GLU A 58 4.119 -4.797 -7.000 1.00 0.00 H new ATOM 0 HA GLU A 58 6.010 -5.345 -8.953 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.530 -5.225 -9.240 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.607 -3.481 -9.091 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.474 -4.383 -11.456 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.760 -3.232 -11.150 1.00 0.00 H new ATOM 911 N VAL A 59 5.932 -2.172 -8.055 1.00 0.00 N ATOM 912 CA VAL A 59 6.666 -0.914 -8.126 1.00 0.00 C ATOM 913 C VAL A 59 8.044 -1.046 -7.487 1.00 0.00 C ATOM 914 O VAL A 59 9.067 -0.882 -8.153 1.00 0.00 O ATOM 915 CB VAL A 59 5.897 0.224 -7.430 1.00 0.00 C ATOM 916 CG1 VAL A 59 6.730 1.496 -7.408 1.00 0.00 C ATOM 917 CG2 VAL A 59 4.562 0.463 -8.119 1.00 0.00 C ATOM 0 H VAL A 59 5.132 -2.158 -7.423 1.00 0.00 H new ATOM 0 HA VAL A 59 6.780 -0.672 -9.183 1.00 0.00 H new ATOM 0 HB VAL A 59 5.701 -0.071 -6.399 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.170 2.289 -6.912 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.658 1.314 -6.866 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.960 1.798 -8.430 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.032 1.270 -7.614 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.734 0.737 -9.160 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.963 -0.447 -8.077 1.00 0.00 H new ATOM 927 N LEU A 60 8.065 -1.343 -6.193 1.00 0.00 N ATOM 928 CA LEU A 60 9.318 -1.498 -5.463 1.00 0.00 C ATOM 929 C LEU A 60 10.209 -2.543 -6.126 1.00 0.00 C ATOM 930 O LEU A 60 11.307 -2.234 -6.589 1.00 0.00 O ATOM 931 CB LEU A 60 9.041 -1.895 -4.012 1.00 0.00 C ATOM 932 CG LEU A 60 8.081 -0.988 -3.240 1.00 0.00 C ATOM 933 CD1 LEU A 60 7.794 -1.565 -1.862 1.00 0.00 C ATOM 934 CD2 LEU A 60 8.652 0.417 -3.124 1.00 0.00 C ATOM 0 H LEU A 60 7.228 -1.481 -5.627 1.00 0.00 H new ATOM 0 HA LEU A 60 9.839 -0.541 -5.478 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.638 -2.908 -4.004 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.990 -1.925 -3.477 1.00 0.00 H new ATOM 0 HG LEU A 60 7.142 -0.932 -3.791 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.109 -0.907 -1.327 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.341 -2.551 -1.967 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.725 -1.652 -1.303 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.956 1.048 -2.572 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.605 0.380 -2.596 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.805 0.831 -4.121 1.00 0.00 H new ATOM 946 N SER A 61 9.728 -3.781 -6.171 1.00 0.00 N ATOM 947 CA SER A 61 10.481 -4.873 -6.776 1.00 0.00 C ATOM 948 C SER A 61 11.220 -4.397 -8.024 1.00 0.00 C ATOM 949 O SER A 61 12.410 -4.661 -8.193 1.00 0.00 O ATOM 950 CB SER A 61 9.546 -6.030 -7.133 1.00 0.00 C ATOM 951 OG SER A 61 8.791 -5.735 -8.296 1.00 0.00 O ATOM 0 H SER A 61 8.820 -4.053 -5.795 1.00 0.00 H new ATOM 0 HA SER A 61 11.216 -5.221 -6.050 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.129 -6.937 -7.294 1.00 0.00 H new ATOM 0 HB3 SER A 61 8.873 -6.228 -6.299 1.00 0.00 H new ATOM 0 HG SER A 61 7.979 -5.247 -8.044 1.00 0.00 H new ATOM 957 N ASP A 62 10.504 -3.695 -8.895 1.00 0.00 N ATOM 958 CA ASP A 62 11.089 -3.180 -10.127 1.00 0.00 C ATOM 959 C ASP A 62 11.989 -1.982 -9.842 1.00 0.00 C ATOM 960 O ASP A 62 11.538 -0.969 -9.307 1.00 0.00 O ATOM 961 CB ASP A 62 9.989 -2.785 -11.114 1.00 0.00 C ATOM 962 CG ASP A 62 10.454 -2.849 -12.555 1.00 0.00 C ATOM 963 OD1 ASP A 62 10.924 -3.925 -12.981 1.00 0.00 O ATOM 964 OD2 ASP A 62 10.348 -1.822 -13.258 1.00 0.00 O ATOM 0 H ASP A 62 9.517 -3.469 -8.771 1.00 0.00 H new ATOM 0 HA ASP A 62 11.696 -3.970 -10.570 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.132 -3.446 -10.982 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.649 -1.774 -10.889 1.00 0.00 H new ATOM 969 N GLU A 63 13.263 -2.105 -10.203 1.00 0.00 N ATOM 970 CA GLU A 63 14.225 -1.032 -9.983 1.00 0.00 C ATOM 971 C GLU A 63 13.793 0.242 -10.703 1.00 0.00 C ATOM 972 O GLU A 63 14.037 1.351 -10.227 1.00 0.00 O ATOM 973 CB GLU A 63 15.614 -1.456 -10.465 1.00 0.00 C ATOM 974 CG GLU A 63 15.668 -1.794 -11.946 1.00 0.00 C ATOM 975 CD GLU A 63 17.086 -1.974 -12.452 1.00 0.00 C ATOM 976 OE1 GLU A 63 17.780 -0.955 -12.647 1.00 0.00 O ATOM 977 OE2 GLU A 63 17.502 -3.135 -12.652 1.00 0.00 O ATOM 0 H GLU A 63 13.652 -2.936 -10.648 1.00 0.00 H new ATOM 0 HA GLU A 63 14.265 -0.829 -8.913 1.00 0.00 H new ATOM 0 HB2 GLU A 63 16.322 -0.653 -10.258 1.00 0.00 H new ATOM 0 HB3 GLU A 63 15.939 -2.324 -9.891 1.00 0.00 H new ATOM 0 HG2 GLU A 63 15.103 -2.708 -12.127 1.00 0.00 H new ATOM 0 HG3 GLU A 63 15.182 -1.001 -12.514 1.00 0.00 H new ATOM 984 N VAL A 64 13.148 0.076 -11.854 1.00 0.00 N ATOM 985 CA VAL A 64 12.681 1.211 -12.640 1.00 0.00 C ATOM 986 C VAL A 64 11.498 1.897 -11.965 1.00 0.00 C ATOM 987 O VAL A 64 11.570 3.071 -11.602 1.00 0.00 O ATOM 988 CB VAL A 64 12.268 0.779 -14.059 1.00 0.00 C ATOM 989 CG1 VAL A 64 11.733 1.967 -14.844 1.00 0.00 C ATOM 990 CG2 VAL A 64 13.443 0.137 -14.783 1.00 0.00 C ATOM 0 H VAL A 64 12.937 -0.835 -12.262 1.00 0.00 H new ATOM 0 HA VAL A 64 13.513 1.912 -12.709 1.00 0.00 H new ATOM 0 HB VAL A 64 11.472 0.039 -13.978 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.446 1.643 -15.844 1.00 0.00 H new ATOM 0 HG12 VAL A 64 10.863 2.379 -14.333 1.00 0.00 H new ATOM 0 HG13 VAL A 64 12.506 2.732 -14.918 1.00 0.00 H new ATOM 0 HG21 VAL A 64 13.134 -0.162 -15.784 1.00 0.00 H new ATOM 0 HG22 VAL A 64 14.261 0.853 -14.855 1.00 0.00 H new ATOM 0 HG23 VAL A 64 13.777 -0.740 -14.229 1.00 0.00 H new ATOM 1000 N LYS A 65 10.408 1.155 -11.798 1.00 0.00 N ATOM 1001 CA LYS A 65 9.208 1.689 -11.165 1.00 0.00 C ATOM 1002 C LYS A 65 9.544 2.351 -9.833 1.00 0.00 C ATOM 1003 O LYS A 65 9.095 3.461 -9.549 1.00 0.00 O ATOM 1004 CB LYS A 65 8.181 0.575 -10.949 1.00 0.00 C ATOM 1005 CG LYS A 65 7.726 -0.090 -12.236 1.00 0.00 C ATOM 1006 CD LYS A 65 6.373 -0.761 -12.069 1.00 0.00 C ATOM 1007 CE LYS A 65 5.244 0.258 -12.057 1.00 0.00 C ATOM 1008 NZ LYS A 65 3.914 -0.386 -12.247 1.00 0.00 N ATOM 0 H LYS A 65 10.331 0.181 -12.093 1.00 0.00 H new ATOM 0 HA LYS A 65 8.783 2.443 -11.828 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.610 -0.181 -10.291 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.312 0.988 -10.436 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.668 0.654 -13.030 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.464 -0.830 -12.545 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.215 -1.471 -12.881 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.360 -1.331 -11.140 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.254 0.800 -11.111 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.408 0.992 -12.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.171 0.341 -12.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.896 -0.882 -13.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.746 -1.068 -11.480 1.00 0.00 H new ATOM 1022 N ARG A 66 10.339 1.662 -9.019 1.00 0.00 N ATOM 1023 CA ARG A 66 10.735 2.183 -7.717 1.00 0.00 C ATOM 1024 C ARG A 66 11.263 3.610 -7.840 1.00 0.00 C ATOM 1025 O ARG A 66 10.699 4.543 -7.268 1.00 0.00 O ATOM 1026 CB ARG A 66 11.803 1.286 -7.088 1.00 0.00 C ATOM 1027 CG ARG A 66 12.075 1.596 -5.625 1.00 0.00 C ATOM 1028 CD ARG A 66 13.127 0.664 -5.045 1.00 0.00 C ATOM 1029 NE ARG A 66 13.113 0.666 -3.584 1.00 0.00 N ATOM 1030 CZ ARG A 66 13.589 -0.330 -2.844 1.00 0.00 C ATOM 1031 NH1 ARG A 66 14.113 -1.400 -3.424 1.00 0.00 N ATOM 1032 NH2 ARG A 66 13.541 -0.255 -1.520 1.00 0.00 N ATOM 0 H ARG A 66 10.721 0.742 -9.239 1.00 0.00 H new ATOM 0 HA ARG A 66 9.854 2.193 -7.075 1.00 0.00 H new ATOM 0 HB2 ARG A 66 11.491 0.246 -7.178 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.730 1.390 -7.651 1.00 0.00 H new ATOM 0 HG2 ARG A 66 12.408 2.629 -5.527 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.151 1.504 -5.054 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.954 -0.349 -5.408 1.00 0.00 H new ATOM 0 HD3 ARG A 66 14.113 0.965 -5.399 1.00 0.00 H new ATOM 0 HE ARG A 66 12.717 1.475 -3.106 1.00 0.00 H new ATOM 0 HH11 ARG A 66 14.152 -1.461 -4.441 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.477 -2.163 -2.853 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.139 0.567 -1.070 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.906 -1.020 -0.952 1.00 0.00 H new ATOM 1046 N LYS A 67 12.348 3.771 -8.589 1.00 0.00 N ATOM 1047 CA LYS A 67 12.952 5.083 -8.789 1.00 0.00 C ATOM 1048 C LYS A 67 11.882 6.150 -8.998 1.00 0.00 C ATOM 1049 O LYS A 67 11.925 7.214 -8.381 1.00 0.00 O ATOM 1050 CB LYS A 67 13.899 5.054 -9.990 1.00 0.00 C ATOM 1051 CG LYS A 67 14.544 6.396 -10.290 1.00 0.00 C ATOM 1052 CD LYS A 67 15.584 6.282 -11.391 1.00 0.00 C ATOM 1053 CE LYS A 67 16.147 7.643 -11.770 1.00 0.00 C ATOM 1054 NZ LYS A 67 15.174 8.444 -12.565 1.00 0.00 N ATOM 0 H LYS A 67 12.828 3.009 -9.068 1.00 0.00 H new ATOM 0 HA LYS A 67 13.519 5.333 -7.892 1.00 0.00 H new ATOM 0 HB2 LYS A 67 14.681 4.317 -9.807 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.347 4.721 -10.869 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.777 7.111 -10.586 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.011 6.786 -9.386 1.00 0.00 H new ATOM 0 HD2 LYS A 67 16.394 5.631 -11.062 1.00 0.00 H new ATOM 0 HD3 LYS A 67 15.137 5.815 -12.268 1.00 0.00 H new ATOM 0 HE2 LYS A 67 16.415 8.190 -10.866 1.00 0.00 H new ATOM 0 HE3 LYS A 67 17.063 7.510 -12.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 15.630 9.321 -12.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 14.860 7.891 -13.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.352 8.680 -11.973 1.00 0.00 H new ATOM 1068 N GLN A 68 10.922 5.855 -9.869 1.00 0.00 N ATOM 1069 CA GLN A 68 9.840 6.789 -10.158 1.00 0.00 C ATOM 1070 C GLN A 68 8.980 7.024 -8.921 1.00 0.00 C ATOM 1071 O GLN A 68 8.538 8.145 -8.663 1.00 0.00 O ATOM 1072 CB GLN A 68 8.975 6.262 -11.303 1.00 0.00 C ATOM 1073 CG GLN A 68 9.731 6.097 -12.612 1.00 0.00 C ATOM 1074 CD GLN A 68 8.838 5.645 -13.750 1.00 0.00 C ATOM 1075 OE1 GLN A 68 7.794 5.030 -13.528 1.00 0.00 O ATOM 1076 NE2 GLN A 68 9.243 5.948 -14.977 1.00 0.00 N ATOM 0 H GLN A 68 10.871 4.977 -10.386 1.00 0.00 H new ATOM 0 HA GLN A 68 10.283 7.739 -10.456 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.552 5.300 -11.014 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.139 6.944 -11.459 1.00 0.00 H new ATOM 0 HG2 GLN A 68 10.200 7.044 -12.878 1.00 0.00 H new ATOM 0 HG3 GLN A 68 10.533 5.372 -12.475 1.00 0.00 H new ATOM 0 HE21 GLN A 68 10.115 6.459 -15.115 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.682 5.670 -15.782 1.00 0.00 H new ATOM 1085 N TYR A 69 8.744 5.962 -8.160 1.00 0.00 N ATOM 1086 CA TYR A 69 7.934 6.051 -6.951 1.00 0.00 C ATOM 1087 C TYR A 69 8.592 6.964 -5.920 1.00 0.00 C ATOM 1088 O TYR A 69 7.965 7.891 -5.406 1.00 0.00 O ATOM 1089 CB TYR A 69 7.717 4.661 -6.352 1.00 0.00 C ATOM 1090 CG TYR A 69 7.288 4.686 -4.903 1.00 0.00 C ATOM 1091 CD1 TYR A 69 6.341 5.597 -4.453 1.00 0.00 C ATOM 1092 CD2 TYR A 69 7.829 3.797 -3.982 1.00 0.00 C ATOM 1093 CE1 TYR A 69 5.946 5.624 -3.130 1.00 0.00 C ATOM 1094 CE2 TYR A 69 7.440 3.815 -2.657 1.00 0.00 C ATOM 1095 CZ TYR A 69 6.498 4.731 -2.235 1.00 0.00 C ATOM 1096 OH TYR A 69 6.107 4.753 -0.916 1.00 0.00 O ATOM 0 H TYR A 69 9.103 5.028 -8.359 1.00 0.00 H new ATOM 0 HA TYR A 69 6.968 6.476 -7.223 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.961 4.137 -6.937 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.641 4.089 -6.439 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.906 6.297 -5.151 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.567 3.079 -4.308 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.209 6.340 -2.798 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.871 3.116 -1.955 1.00 0.00 H new ATOM 0 HH TYR A 69 6.839 4.425 -0.352 1.00 0.00 H new ATOM 1106 N ASP A 70 9.858 6.696 -5.625 1.00 0.00 N ATOM 1107 CA ASP A 70 10.604 7.493 -4.658 1.00 0.00 C ATOM 1108 C ASP A 70 10.622 8.963 -5.064 1.00 0.00 C ATOM 1109 O ASP A 70 10.337 9.845 -4.255 1.00 0.00 O ATOM 1110 CB ASP A 70 12.035 6.969 -4.528 1.00 0.00 C ATOM 1111 CG ASP A 70 12.727 7.480 -3.280 1.00 0.00 C ATOM 1112 OD1 ASP A 70 12.878 8.713 -3.147 1.00 0.00 O ATOM 1113 OD2 ASP A 70 13.118 6.648 -2.435 1.00 0.00 O ATOM 0 H ASP A 70 10.390 5.932 -6.042 1.00 0.00 H new ATOM 0 HA ASP A 70 10.105 7.408 -3.692 1.00 0.00 H new ATOM 0 HB2 ASP A 70 12.020 5.879 -4.511 1.00 0.00 H new ATOM 0 HB3 ASP A 70 12.609 7.266 -5.406 1.00 0.00 H new ATOM 1118 N ALA A 71 10.961 9.219 -6.324 1.00 0.00 N ATOM 1119 CA ALA A 71 11.015 10.582 -6.838 1.00 0.00 C ATOM 1120 C ALA A 71 9.731 11.340 -6.521 1.00 0.00 C ATOM 1121 O ALA A 71 9.756 12.368 -5.845 1.00 0.00 O ATOM 1122 CB ALA A 71 11.268 10.570 -8.338 1.00 0.00 C ATOM 0 H ALA A 71 11.202 8.501 -7.007 1.00 0.00 H new ATOM 0 HA ALA A 71 11.840 11.097 -6.346 1.00 0.00 H new ATOM 0 HB1 ALA A 71 11.306 11.594 -8.709 1.00 0.00 H new ATOM 0 HB2 ALA A 71 12.217 10.074 -8.543 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.463 10.033 -8.839 1.00 0.00 H new ATOM 1128 N TYR A 72 8.610 10.827 -7.015 1.00 0.00 N ATOM 1129 CA TYR A 72 7.315 11.458 -6.788 1.00 0.00 C ATOM 1130 C TYR A 72 6.952 11.438 -5.306 1.00 0.00 C ATOM 1131 O TYR A 72 6.188 12.276 -4.831 1.00 0.00 O ATOM 1132 CB TYR A 72 6.229 10.750 -7.600 1.00 0.00 C ATOM 1133 CG TYR A 72 6.097 11.267 -9.015 1.00 0.00 C ATOM 1134 CD1 TYR A 72 7.084 11.018 -9.961 1.00 0.00 C ATOM 1135 CD2 TYR A 72 4.987 12.006 -9.405 1.00 0.00 C ATOM 1136 CE1 TYR A 72 6.968 11.489 -11.255 1.00 0.00 C ATOM 1137 CE2 TYR A 72 4.862 12.480 -10.696 1.00 0.00 C ATOM 1138 CZ TYR A 72 5.855 12.218 -11.618 1.00 0.00 C ATOM 1139 OH TYR A 72 5.735 12.690 -12.905 1.00 0.00 O ATOM 0 H TYR A 72 8.572 9.976 -7.575 1.00 0.00 H new ATOM 0 HA TYR A 72 7.383 12.496 -7.113 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.448 9.683 -7.631 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.273 10.864 -7.090 1.00 0.00 H new ATOM 0 HD1 TYR A 72 7.956 10.447 -9.680 1.00 0.00 H new ATOM 0 HD2 TYR A 72 4.208 12.213 -8.686 1.00 0.00 H new ATOM 0 HE1 TYR A 72 7.745 11.287 -11.978 1.00 0.00 H new ATOM 0 HE2 TYR A 72 3.992 13.052 -10.983 1.00 0.00 H new ATOM 0 HH TYR A 72 4.893 13.182 -12.996 1.00 0.00 H new ATOM 1149 N GLY A 73 7.508 10.472 -4.580 1.00 0.00 N ATOM 1150 CA GLY A 73 7.233 10.360 -3.160 1.00 0.00 C ATOM 1151 C GLY A 73 8.339 10.948 -2.306 1.00 0.00 C ATOM 1152 O GLY A 73 9.193 10.222 -1.799 1.00 0.00 O ATOM 0 H GLY A 73 8.144 9.766 -4.950 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.295 10.867 -2.934 1.00 0.00 H new ATOM 0 HA3 GLY A 73 7.098 9.310 -2.901 1.00 0.00 H new ATOM 1156 N SER A 74 8.324 12.268 -2.149 1.00 0.00 N ATOM 1157 CA SER A 74 9.337 12.954 -1.355 1.00 0.00 C ATOM 1158 C SER A 74 8.874 13.120 0.089 1.00 0.00 C ATOM 1159 O SER A 74 7.702 13.384 0.351 1.00 0.00 O ATOM 1160 CB SER A 74 9.650 14.323 -1.963 1.00 0.00 C ATOM 1161 OG SER A 74 10.966 14.735 -1.639 1.00 0.00 O ATOM 0 H SER A 74 7.622 12.883 -2.561 1.00 0.00 H new ATOM 0 HA SER A 74 10.242 12.346 -1.361 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.536 14.278 -3.046 1.00 0.00 H new ATOM 0 HB3 SER A 74 8.934 15.059 -1.597 1.00 0.00 H new ATOM 0 HG SER A 74 11.143 15.611 -2.040 1.00 0.00 H new ATOM 1167 N GLY A 75 9.807 12.963 1.024 1.00 0.00 N ATOM 1168 CA GLY A 75 9.477 13.098 2.431 1.00 0.00 C ATOM 1169 C GLY A 75 10.264 14.204 3.107 1.00 0.00 C ATOM 1170 O GLY A 75 11.134 14.833 2.505 1.00 0.00 O ATOM 0 H GLY A 75 10.785 12.745 0.832 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.411 13.300 2.533 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.673 12.154 2.939 1.00 0.00 H new ATOM 1174 N PRO A 76 9.957 14.456 4.388 1.00 0.00 N ATOM 1175 CA PRO A 76 10.629 15.494 5.174 1.00 0.00 C ATOM 1176 C PRO A 76 12.077 15.136 5.489 1.00 0.00 C ATOM 1177 O PRO A 76 12.835 15.963 5.997 1.00 0.00 O ATOM 1178 CB PRO A 76 9.802 15.558 6.460 1.00 0.00 C ATOM 1179 CG PRO A 76 9.179 14.209 6.577 1.00 0.00 C ATOM 1180 CD PRO A 76 8.930 13.745 5.169 1.00 0.00 C ATOM 0 HA PRO A 76 10.681 16.441 4.637 1.00 0.00 H new ATOM 0 HB2 PRO A 76 10.429 15.781 7.323 1.00 0.00 H new ATOM 0 HB3 PRO A 76 9.045 16.340 6.405 1.00 0.00 H new ATOM 0 HG2 PRO A 76 9.838 13.519 7.105 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.248 14.257 7.143 1.00 0.00 H new ATOM 0 HD2 PRO A 76 9.033 12.664 5.078 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.924 13.998 4.835 1.00 0.00 H new ATOM 1188 N SER A 77 12.456 13.899 5.185 1.00 0.00 N ATOM 1189 CA SER A 77 13.813 13.431 5.439 1.00 0.00 C ATOM 1190 C SER A 77 14.263 13.807 6.848 1.00 0.00 C ATOM 1191 O SER A 77 15.386 14.270 7.050 1.00 0.00 O ATOM 1192 CB SER A 77 14.780 14.018 4.409 1.00 0.00 C ATOM 1193 OG SER A 77 15.238 15.298 4.810 1.00 0.00 O ATOM 0 H SER A 77 11.842 13.203 4.762 1.00 0.00 H new ATOM 0 HA SER A 77 13.818 12.344 5.352 1.00 0.00 H new ATOM 0 HB2 SER A 77 15.630 13.348 4.281 1.00 0.00 H new ATOM 0 HB3 SER A 77 14.284 14.093 3.441 1.00 0.00 H new ATOM 0 HG SER A 77 15.788 15.211 5.617 1.00 0.00 H new ATOM 1199 N SER A 78 13.378 13.606 7.819 1.00 0.00 N ATOM 1200 CA SER A 78 13.681 13.928 9.208 1.00 0.00 C ATOM 1201 C SER A 78 13.281 12.781 10.131 1.00 0.00 C ATOM 1202 O SER A 78 12.504 11.906 9.751 1.00 0.00 O ATOM 1203 CB SER A 78 12.958 15.210 9.626 1.00 0.00 C ATOM 1204 OG SER A 78 13.564 15.787 10.770 1.00 0.00 O ATOM 0 H SER A 78 12.445 13.222 7.669 1.00 0.00 H new ATOM 0 HA SER A 78 14.757 14.082 9.293 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.973 15.925 8.803 1.00 0.00 H new ATOM 0 HB3 SER A 78 11.912 14.989 9.837 1.00 0.00 H new ATOM 0 HG SER A 78 13.085 16.606 11.016 1.00 0.00 H new ATOM 1210 N GLY A 79 13.818 12.793 11.347 1.00 0.00 N ATOM 1211 CA GLY A 79 13.507 11.750 12.306 1.00 0.00 C ATOM 1212 C GLY A 79 13.153 12.304 13.672 1.00 0.00 C ATOM 1213 O GLY A 79 13.929 13.052 14.266 1.00 0.00 O ATOM 0 H GLY A 79 14.463 13.507 11.685 1.00 0.00 H new ATOM 0 HA2 GLY A 79 12.674 11.154 11.932 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.362 11.080 12.400 1.00 0.00 H new TER 1217 GLY A 79