USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 570 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 26 TYR OH : rot 17:sc= 0.412 USER MOD Set 1.2: A 49 SER OG : rot 83:sc= 1.6 USER MOD Set 2.1: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 33 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 14 SER OG : rot -129:sc= 1.25 USER MOD Set 3.2: A 16 SER OG : rot 180:sc= 1.05 USER MOD Single : A 3 LYS NZ :NH3+ 174:sc= 1.18 (180deg=1.14) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot -1:sc= 0.682 USER MOD Single : A 18 ASN : amide:sc= -0.806! C(o=-0.81!,f=-11!) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= 0.686 K(o=0.69,f=-6.4!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 107:sc= 1.24 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 1.22 (180deg=1.22) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc=-0.00316 X(o=-0.0032,f=0) USER MOD Single : A 59 GLN : amide:sc= -0.0702 X(o=-0.07,f=-0.09) USER MOD Single : A 60 LYS NZ :NH3+ -179:sc= 0.877 (180deg=0.876) USER MOD Single : A 64 TYR OH : rot -30:sc= 0.0428 USER MOD Single : A 66 GLN : amide:sc= 0.528 K(o=0.53,f=-0.4) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N VAL A 2 -3.837 -13.610 -6.606 1.00 0.00 N ATOM 12 CA VAL A 2 -3.226 -12.286 -6.635 1.00 0.00 C ATOM 13 C VAL A 2 -2.583 -12.003 -7.986 1.00 0.00 C ATOM 14 O VAL A 2 -1.502 -12.508 -8.287 1.00 0.00 O ATOM 15 CB VAL A 2 -2.162 -12.166 -5.527 1.00 0.00 C ATOM 16 CG1 VAL A 2 -1.542 -10.776 -5.535 1.00 0.00 C ATOM 17 CG2 VAL A 2 -2.786 -12.471 -4.174 1.00 0.00 C ATOM 0 HA VAL A 2 -4.015 -11.553 -6.466 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.370 -12.891 -5.716 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.792 -10.707 -4.747 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -1.071 -10.593 -6.501 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.318 -10.030 -5.363 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.028 -12.384 -3.396 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.591 -11.763 -3.977 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.187 -13.485 -4.178 1.00 0.00 H new ATOM 27 N LYS A 3 -3.255 -11.194 -8.798 1.00 0.00 N ATOM 28 CA LYS A 3 -2.781 -10.892 -10.143 1.00 0.00 C ATOM 29 C LYS A 3 -1.563 -9.980 -10.105 1.00 0.00 C ATOM 30 O LYS A 3 -0.485 -10.348 -10.575 1.00 0.00 O ATOM 31 CB LYS A 3 -3.895 -10.249 -10.971 1.00 0.00 C ATOM 32 CG LYS A 3 -3.504 -9.926 -12.407 1.00 0.00 C ATOM 33 CD LYS A 3 -4.682 -9.363 -13.188 1.00 0.00 C ATOM 34 CE LYS A 3 -4.272 -8.956 -14.595 1.00 0.00 C ATOM 35 NZ LYS A 3 -5.417 -8.407 -15.372 1.00 0.00 N ATOM 0 H LYS A 3 -4.131 -10.735 -8.547 1.00 0.00 H new ATOM 0 HA LYS A 3 -2.488 -11.831 -10.613 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.755 -10.919 -10.983 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.213 -9.330 -10.478 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -2.686 -9.206 -12.410 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.137 -10.828 -12.898 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.476 -10.108 -13.240 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.090 -8.500 -12.662 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.480 -8.209 -14.540 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.860 -9.820 -15.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -5.076 -8.049 -16.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.118 -9.158 -15.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.858 -7.631 -14.839 1.00 0.00 H new ATOM 49 N GLU A 4 -1.739 -8.788 -9.547 1.00 0.00 N ATOM 50 CA GLU A 4 -0.658 -7.812 -9.465 1.00 0.00 C ATOM 51 C GLU A 4 -0.173 -7.643 -8.031 1.00 0.00 C ATOM 52 O GLU A 4 -0.953 -7.755 -7.086 1.00 0.00 O ATOM 53 CB GLU A 4 -1.116 -6.462 -10.022 1.00 0.00 C ATOM 54 CG GLU A 4 -1.442 -6.471 -11.508 1.00 0.00 C ATOM 55 CD GLU A 4 -1.862 -5.123 -12.024 1.00 0.00 C ATOM 56 OE1 GLU A 4 -1.990 -4.220 -11.234 1.00 0.00 O ATOM 57 OE2 GLU A 4 -2.056 -4.996 -13.210 1.00 0.00 O ATOM 0 H GLU A 4 -2.622 -8.473 -9.144 1.00 0.00 H new ATOM 0 HA GLU A 4 0.172 -8.185 -10.065 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.998 -6.136 -9.471 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.335 -5.724 -9.839 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.568 -6.811 -12.064 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.239 -7.190 -11.695 1.00 0.00 H new ATOM 64 N THR A 5 1.118 -7.374 -7.876 1.00 0.00 N ATOM 65 CA THR A 5 1.718 -7.226 -6.555 1.00 0.00 C ATOM 66 C THR A 5 2.316 -5.838 -6.374 1.00 0.00 C ATOM 67 O THR A 5 3.005 -5.571 -5.389 1.00 0.00 O ATOM 68 CB THR A 5 2.802 -8.293 -6.316 1.00 0.00 C ATOM 69 OG1 THR A 5 3.826 -8.169 -7.310 1.00 0.00 O ATOM 70 CG2 THR A 5 2.202 -9.689 -6.383 1.00 0.00 C ATOM 0 H THR A 5 1.771 -7.254 -8.650 1.00 0.00 H new ATOM 0 HA THR A 5 0.923 -7.362 -5.822 1.00 0.00 H new ATOM 0 HB THR A 5 3.228 -8.139 -5.324 1.00 0.00 H new ATOM 0 HG1 THR A 5 4.516 -8.848 -7.155 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.983 -10.429 -6.212 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.432 -9.791 -5.619 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.760 -9.848 -7.367 1.00 0.00 H new ATOM 78 N LYS A 6 2.051 -4.955 -7.332 1.00 0.00 N ATOM 79 CA LYS A 6 2.662 -3.631 -7.344 1.00 0.00 C ATOM 80 C LYS A 6 2.376 -2.881 -6.049 1.00 0.00 C ATOM 81 O LYS A 6 3.289 -2.364 -5.406 1.00 0.00 O ATOM 82 CB LYS A 6 2.162 -2.822 -8.541 1.00 0.00 C ATOM 83 CG LYS A 6 2.755 -1.422 -8.647 1.00 0.00 C ATOM 84 CD LYS A 6 2.265 -0.707 -9.897 1.00 0.00 C ATOM 85 CE LYS A 6 2.840 0.697 -9.992 1.00 0.00 C ATOM 86 NZ LYS A 6 2.419 1.387 -11.242 1.00 0.00 N ATOM 0 H LYS A 6 1.417 -5.133 -8.111 1.00 0.00 H new ATOM 0 HA LYS A 6 3.741 -3.762 -7.431 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.390 -3.370 -9.455 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.077 -2.740 -8.481 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.484 -0.842 -7.764 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.843 -1.486 -8.665 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.549 -1.279 -10.780 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.176 -0.656 -9.886 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.518 1.280 -9.129 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.928 0.647 -9.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.832 2.341 -11.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.748 0.844 -12.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.382 1.458 -11.267 1.00 0.00 H new ATOM 100 N LEU A 7 1.103 -2.825 -5.672 1.00 0.00 N ATOM 101 CA LEU A 7 0.684 -2.066 -4.499 1.00 0.00 C ATOM 102 C LEU A 7 1.200 -2.703 -3.216 1.00 0.00 C ATOM 103 O LEU A 7 1.491 -2.011 -2.241 1.00 0.00 O ATOM 104 CB LEU A 7 -0.846 -1.971 -4.450 1.00 0.00 C ATOM 105 CG LEU A 7 -1.503 -1.205 -5.606 1.00 0.00 C ATOM 106 CD1 LEU A 7 -3.010 -1.153 -5.390 1.00 0.00 C ATOM 107 CD2 LEU A 7 -0.913 0.193 -5.690 1.00 0.00 C ATOM 0 H LEU A 7 0.343 -3.297 -6.162 1.00 0.00 H new ATOM 0 HA LEU A 7 1.108 -1.065 -4.579 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.254 -2.982 -4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.132 -1.493 -3.513 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.309 -1.716 -6.549 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.477 -0.609 -6.211 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.408 -2.167 -5.354 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.225 -0.646 -4.450 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.380 0.736 -6.511 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.096 0.722 -4.755 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.161 0.125 -5.864 1.00 0.00 H new ATOM 119 N TYR A 8 1.315 -4.027 -3.223 1.00 0.00 N ATOM 120 CA TYR A 8 1.848 -4.756 -2.079 1.00 0.00 C ATOM 121 C TYR A 8 3.342 -4.506 -1.915 1.00 0.00 C ATOM 122 O TYR A 8 3.854 -4.457 -0.797 1.00 0.00 O ATOM 123 CB TYR A 8 1.574 -6.255 -2.225 1.00 0.00 C ATOM 124 CG TYR A 8 0.108 -6.617 -2.155 1.00 0.00 C ATOM 125 CD1 TYR A 8 -0.581 -6.949 -3.312 1.00 0.00 C ATOM 126 CD2 TYR A 8 -0.549 -6.617 -0.933 1.00 0.00 C ATOM 127 CE1 TYR A 8 -1.920 -7.280 -3.248 1.00 0.00 C ATOM 128 CE2 TYR A 8 -1.888 -6.948 -0.869 1.00 0.00 C ATOM 129 CZ TYR A 8 -2.573 -7.278 -2.021 1.00 0.00 C ATOM 130 OH TYR A 8 -3.908 -7.608 -1.957 1.00 0.00 O ATOM 0 H TYR A 8 1.046 -4.617 -4.010 1.00 0.00 H new ATOM 0 HA TYR A 8 1.343 -4.391 -1.184 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.978 -6.598 -3.178 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.109 -6.791 -1.441 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -0.070 -6.949 -4.263 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -0.013 -6.358 -0.032 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.458 -7.539 -4.148 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -2.399 -6.949 0.082 1.00 0.00 H new ATOM 0 HH TYR A 8 -4.242 -7.798 -2.859 1.00 0.00 H new ATOM 140 N ASP A 9 4.037 -4.349 -3.036 1.00 0.00 N ATOM 141 CA ASP A 9 5.462 -4.037 -3.018 1.00 0.00 C ATOM 142 C ASP A 9 5.709 -2.617 -2.529 1.00 0.00 C ATOM 143 O ASP A 9 6.693 -2.350 -1.838 1.00 0.00 O ATOM 144 CB ASP A 9 6.068 -4.217 -4.412 1.00 0.00 C ATOM 145 CG ASP A 9 6.181 -5.678 -4.825 1.00 0.00 C ATOM 146 OD1 ASP A 9 6.107 -6.525 -3.967 1.00 0.00 O ATOM 147 OD2 ASP A 9 6.342 -5.933 -5.996 1.00 0.00 O ATOM 0 H ASP A 9 3.636 -4.433 -3.970 1.00 0.00 H new ATOM 0 HA ASP A 9 5.943 -4.728 -2.326 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.456 -3.685 -5.140 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.058 -3.761 -4.434 1.00 0.00 H new ATOM 152 N LEU A 10 4.811 -1.707 -2.890 1.00 0.00 N ATOM 153 CA LEU A 10 4.883 -0.329 -2.420 1.00 0.00 C ATOM 154 C LEU A 10 4.750 -0.258 -0.903 1.00 0.00 C ATOM 155 O LEU A 10 5.462 0.499 -0.243 1.00 0.00 O ATOM 156 CB LEU A 10 3.782 0.514 -3.075 1.00 0.00 C ATOM 157 CG LEU A 10 3.972 0.812 -4.568 1.00 0.00 C ATOM 158 CD1 LEU A 10 2.727 1.497 -5.111 1.00 0.00 C ATOM 159 CD2 LEU A 10 5.204 1.683 -4.759 1.00 0.00 C ATOM 0 H LEU A 10 4.023 -1.900 -3.508 1.00 0.00 H new ATOM 0 HA LEU A 10 5.858 0.069 -2.700 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.830 -0.000 -2.944 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.709 1.461 -2.541 1.00 0.00 H new ATOM 0 HG LEU A 10 4.120 -0.117 -5.118 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.862 1.709 -6.172 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.865 0.843 -4.978 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.561 2.430 -4.573 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.339 1.895 -5.820 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.076 2.619 -4.216 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.082 1.160 -4.379 1.00 0.00 H new ATOM 171 N LEU A 11 3.836 -1.053 -0.357 1.00 0.00 N ATOM 172 CA LEU A 11 3.635 -1.109 1.086 1.00 0.00 C ATOM 173 C LEU A 11 4.705 -1.959 1.759 1.00 0.00 C ATOM 174 O LEU A 11 5.062 -1.726 2.915 1.00 0.00 O ATOM 175 CB LEU A 11 2.246 -1.677 1.407 1.00 0.00 C ATOM 176 CG LEU A 11 1.057 -0.826 0.941 1.00 0.00 C ATOM 177 CD1 LEU A 11 -0.243 -1.512 1.336 1.00 0.00 C ATOM 178 CD2 LEU A 11 1.152 0.561 1.560 1.00 0.00 C ATOM 0 H LEU A 11 3.223 -1.668 -0.892 1.00 0.00 H new ATOM 0 HA LEU A 11 3.709 -0.093 1.473 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.163 -2.664 0.953 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.170 -1.815 2.486 1.00 0.00 H new ATOM 0 HG LEU A 11 1.076 -0.721 -0.144 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.088 -0.908 1.005 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.293 -2.494 0.866 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.280 -1.625 2.419 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.308 1.166 1.229 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.134 0.477 2.647 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.082 1.036 1.248 1.00 0.00 H new ATOM 190 N GLY A 12 5.215 -2.944 1.029 1.00 0.00 N ATOM 191 CA GLY A 12 6.242 -3.836 1.556 1.00 0.00 C ATOM 192 C GLY A 12 5.630 -4.927 2.425 1.00 0.00 C ATOM 193 O GLY A 12 6.163 -5.261 3.484 1.00 0.00 O ATOM 0 H GLY A 12 4.934 -3.146 0.069 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.792 -4.290 0.731 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.961 -3.262 2.141 1.00 0.00 H new ATOM 197 N VAL A 13 4.510 -5.480 1.973 1.00 0.00 N ATOM 198 CA VAL A 13 3.779 -6.475 2.748 1.00 0.00 C ATOM 199 C VAL A 13 3.171 -7.539 1.843 1.00 0.00 C ATOM 200 O VAL A 13 2.657 -7.233 0.767 1.00 0.00 O ATOM 201 CB VAL A 13 2.662 -5.801 3.566 1.00 0.00 C ATOM 202 CG1 VAL A 13 1.667 -5.112 2.643 1.00 0.00 C ATOM 203 CG2 VAL A 13 1.962 -6.834 4.436 1.00 0.00 C ATOM 0 H VAL A 13 4.088 -5.255 1.072 1.00 0.00 H new ATOM 0 HA VAL A 13 4.487 -6.955 3.424 1.00 0.00 H new ATOM 0 HB VAL A 13 3.105 -5.043 4.212 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.885 -4.641 3.238 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.182 -4.353 2.055 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.221 -5.848 1.974 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.173 -6.350 5.012 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.527 -7.608 3.803 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.684 -7.285 5.117 1.00 0.00 H new ATOM 213 N SER A 14 3.232 -8.790 2.285 1.00 0.00 N ATOM 214 CA SER A 14 2.701 -9.904 1.509 1.00 0.00 C ATOM 215 C SER A 14 1.193 -9.785 1.336 1.00 0.00 C ATOM 216 O SER A 14 0.488 -9.334 2.237 1.00 0.00 O ATOM 217 CB SER A 14 3.040 -11.220 2.185 1.00 0.00 C ATOM 218 OG SER A 14 2.423 -12.293 1.530 1.00 0.00 O ATOM 0 H SER A 14 3.645 -9.058 3.178 1.00 0.00 H new ATOM 0 HA SER A 14 3.161 -9.876 0.521 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.120 -11.364 2.188 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.719 -11.192 3.226 1.00 0.00 H new ATOM 0 HG SER A 14 1.947 -12.846 2.184 1.00 0.00 H new ATOM 224 N PRO A 15 0.703 -10.193 0.169 1.00 0.00 N ATOM 225 CA PRO A 15 -0.728 -10.172 -0.110 1.00 0.00 C ATOM 226 C PRO A 15 -1.460 -11.245 0.684 1.00 0.00 C ATOM 227 O PRO A 15 -2.690 -11.258 0.742 1.00 0.00 O ATOM 228 CB PRO A 15 -0.789 -10.442 -1.616 1.00 0.00 C ATOM 229 CG PRO A 15 0.432 -11.253 -1.892 1.00 0.00 C ATOM 230 CD PRO A 15 1.482 -10.665 -0.989 1.00 0.00 C ATOM 0 HA PRO A 15 -1.210 -9.236 0.173 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.696 -10.983 -1.887 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -0.788 -9.514 -2.187 1.00 0.00 H new ATOM 0 HG2 PRO A 15 0.266 -12.308 -1.674 1.00 0.00 H new ATOM 0 HG3 PRO A 15 0.726 -11.186 -2.940 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.225 -11.407 -0.699 1.00 0.00 H new ATOM 0 HD3 PRO A 15 2.019 -9.849 -1.473 1.00 0.00 H new ATOM 238 N SER A 16 -0.698 -12.147 1.295 1.00 0.00 N ATOM 239 CA SER A 16 -1.262 -13.145 2.194 1.00 0.00 C ATOM 240 C SER A 16 -1.611 -12.536 3.546 1.00 0.00 C ATOM 241 O SER A 16 -2.292 -13.159 4.361 1.00 0.00 O ATOM 242 CB SER A 16 -0.285 -14.289 2.383 1.00 0.00 C ATOM 243 OG SER A 16 0.853 -13.868 3.085 1.00 0.00 O ATOM 0 H SER A 16 0.314 -12.206 1.183 1.00 0.00 H new ATOM 0 HA SER A 16 -2.179 -13.523 1.742 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.771 -15.101 2.924 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.009 -14.685 1.411 1.00 0.00 H new ATOM 0 HG SER A 16 1.467 -14.624 3.196 1.00 0.00 H new ATOM 249 N ALA A 17 -1.142 -11.315 3.777 1.00 0.00 N ATOM 250 CA ALA A 17 -1.419 -10.610 5.024 1.00 0.00 C ATOM 251 C ALA A 17 -2.874 -10.164 5.092 1.00 0.00 C ATOM 252 O ALA A 17 -3.495 -9.881 4.067 1.00 0.00 O ATOM 253 CB ALA A 17 -0.490 -9.414 5.174 1.00 0.00 C ATOM 0 H ALA A 17 -0.567 -10.792 3.116 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.240 -11.300 5.848 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.709 -8.898 6.109 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.545 -9.756 5.182 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.640 -8.730 4.339 1.00 0.00 H new ATOM 259 N ASN A 18 -3.412 -10.100 6.304 1.00 0.00 N ATOM 260 CA ASN A 18 -4.794 -9.685 6.509 1.00 0.00 C ATOM 261 C ASN A 18 -4.913 -8.165 6.538 1.00 0.00 C ATOM 262 O ASN A 18 -3.924 -7.453 6.372 1.00 0.00 O ATOM 263 CB ASN A 18 -5.351 -10.287 7.784 1.00 0.00 C ATOM 264 CG ASN A 18 -4.695 -9.734 9.020 1.00 0.00 C ATOM 265 OD1 ASN A 18 -4.371 -8.543 9.084 1.00 0.00 O ATOM 266 ND2 ASN A 18 -4.493 -10.577 10.001 1.00 0.00 N ATOM 0 H ASN A 18 -2.911 -10.331 7.162 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.382 -10.053 5.668 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.424 -10.099 7.832 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.217 -11.369 7.759 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -4.051 -10.259 10.864 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -4.777 -11.552 9.903 1.00 0.00 H new ATOM 273 N GLU A 19 -6.130 -7.677 6.749 1.00 0.00 N ATOM 274 CA GLU A 19 -6.420 -6.254 6.602 1.00 0.00 C ATOM 275 C GLU A 19 -5.588 -5.420 7.567 1.00 0.00 C ATOM 276 O GLU A 19 -5.035 -4.387 7.190 1.00 0.00 O ATOM 277 CB GLU A 19 -7.909 -5.988 6.836 1.00 0.00 C ATOM 278 CG GLU A 19 -8.824 -6.534 5.749 1.00 0.00 C ATOM 279 CD GLU A 19 -10.283 -6.366 6.073 1.00 0.00 C ATOM 280 OE1 GLU A 19 -10.585 -5.933 7.160 1.00 0.00 O ATOM 281 OE2 GLU A 19 -11.096 -6.671 5.233 1.00 0.00 O ATOM 0 H GLU A 19 -6.932 -8.245 7.022 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.159 -5.963 5.584 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.198 -6.426 7.791 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.065 -4.912 6.919 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.605 -6.028 4.809 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.610 -7.592 5.599 1.00 0.00 H new ATOM 288 N GLN A 20 -5.503 -5.875 8.814 1.00 0.00 N ATOM 289 CA GLN A 20 -4.761 -5.155 9.842 1.00 0.00 C ATOM 290 C GLN A 20 -3.264 -5.178 9.560 1.00 0.00 C ATOM 291 O GLN A 20 -2.568 -4.183 9.766 1.00 0.00 O ATOM 292 CB GLN A 20 -5.043 -5.753 11.223 1.00 0.00 C ATOM 293 CG GLN A 20 -6.456 -5.519 11.727 1.00 0.00 C ATOM 294 CD GLN A 20 -6.709 -6.178 13.068 1.00 0.00 C ATOM 295 OE1 GLN A 20 -5.992 -7.099 13.468 1.00 0.00 O ATOM 296 NE2 GLN A 20 -7.732 -5.710 13.773 1.00 0.00 N ATOM 0 H GLN A 20 -5.939 -6.739 9.136 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.095 -4.117 9.828 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.855 -6.826 11.187 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.339 -5.330 11.940 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.635 -4.447 11.813 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.168 -5.904 10.996 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -8.299 -4.947 13.404 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.951 -6.114 14.684 1.00 0.00 H new ATOM 305 N GLU A 21 -2.774 -6.319 9.087 1.00 0.00 N ATOM 306 CA GLU A 21 -1.360 -6.472 8.766 1.00 0.00 C ATOM 307 C GLU A 21 -0.973 -5.617 7.565 1.00 0.00 C ATOM 308 O GLU A 21 0.128 -5.070 7.510 1.00 0.00 O ATOM 309 CB GLU A 21 -1.030 -7.940 8.487 1.00 0.00 C ATOM 310 CG GLU A 21 -1.072 -8.837 9.717 1.00 0.00 C ATOM 311 CD GLU A 21 -0.934 -10.296 9.380 1.00 0.00 C ATOM 312 OE1 GLU A 21 -1.395 -10.692 8.339 1.00 0.00 O ATOM 313 OE2 GLU A 21 -0.365 -11.015 10.168 1.00 0.00 O ATOM 0 H GLU A 21 -3.337 -7.153 8.917 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.785 -6.135 9.628 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.733 -8.324 7.748 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.036 -7.999 8.043 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.271 -8.549 10.398 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.012 -8.678 10.245 1.00 0.00 H new ATOM 320 N LEU A 22 -1.884 -5.510 6.604 1.00 0.00 N ATOM 321 CA LEU A 22 -1.688 -4.630 5.457 1.00 0.00 C ATOM 322 C LEU A 22 -1.610 -3.172 5.889 1.00 0.00 C ATOM 323 O LEU A 22 -0.806 -2.401 5.364 1.00 0.00 O ATOM 324 CB LEU A 22 -2.829 -4.812 4.450 1.00 0.00 C ATOM 325 CG LEU A 22 -2.857 -6.157 3.711 1.00 0.00 C ATOM 326 CD1 LEU A 22 -4.137 -6.260 2.894 1.00 0.00 C ATOM 327 CD2 LEU A 22 -1.629 -6.272 2.821 1.00 0.00 C ATOM 0 H LEU A 22 -2.766 -6.022 6.596 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.743 -4.899 4.985 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.776 -4.687 4.975 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.767 -4.013 3.711 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.840 -6.978 4.428 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.158 -7.215 2.369 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.999 -6.192 3.558 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.173 -5.447 2.169 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.648 -7.227 2.296 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.628 -5.459 2.095 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.729 -6.213 3.433 1.00 0.00 H new ATOM 339 N LYS A 23 -2.451 -2.798 6.848 1.00 0.00 N ATOM 340 CA LYS A 23 -2.403 -1.462 7.431 1.00 0.00 C ATOM 341 C LYS A 23 -1.064 -1.206 8.111 1.00 0.00 C ATOM 342 O LYS A 23 -0.476 -0.134 7.960 1.00 0.00 O ATOM 343 CB LYS A 23 -3.545 -1.273 8.430 1.00 0.00 C ATOM 344 CG LYS A 23 -3.597 0.108 9.072 1.00 0.00 C ATOM 345 CD LYS A 23 -4.807 0.249 9.981 1.00 0.00 C ATOM 346 CE LYS A 23 -4.850 1.620 10.639 1.00 0.00 C ATOM 347 NZ LYS A 23 -6.029 1.773 11.534 1.00 0.00 N ATOM 0 H LYS A 23 -3.174 -3.402 7.238 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.518 -0.740 6.622 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.491 -1.460 7.922 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.452 -2.023 9.216 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.686 0.279 9.646 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.632 0.872 8.295 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.718 0.092 9.404 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.779 -0.524 10.749 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.937 1.775 11.213 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.877 2.391 9.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.020 2.721 11.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.902 1.651 10.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.991 1.054 12.285 1.00 0.00 H new ATOM 361 N LYS A 24 -0.586 -2.193 8.858 1.00 0.00 N ATOM 362 CA LYS A 24 0.712 -2.099 9.514 1.00 0.00 C ATOM 363 C LYS A 24 1.828 -1.888 8.500 1.00 0.00 C ATOM 364 O LYS A 24 2.768 -1.132 8.745 1.00 0.00 O ATOM 365 CB LYS A 24 0.984 -3.356 10.344 1.00 0.00 C ATOM 366 CG LYS A 24 0.130 -3.479 11.598 1.00 0.00 C ATOM 367 CD LYS A 24 0.426 -4.772 12.344 1.00 0.00 C ATOM 368 CE LYS A 24 -0.445 -4.910 13.584 1.00 0.00 C ATOM 369 NZ LYS A 24 -0.168 -6.171 14.321 1.00 0.00 N ATOM 0 H LYS A 24 -1.079 -3.070 9.025 1.00 0.00 H new ATOM 0 HA LYS A 24 0.689 -1.235 10.178 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.817 -4.233 9.718 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.035 -3.366 10.633 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.317 -2.628 12.253 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.925 -3.447 11.327 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.257 -5.622 11.683 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.477 -4.795 12.632 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.274 -4.059 14.244 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.495 -4.883 13.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.782 -6.226 15.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.356 -6.984 13.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.828 -6.186 14.620 1.00 0.00 H new ATOM 383 N GLY A 25 1.719 -2.562 7.361 1.00 0.00 N ATOM 384 CA GLY A 25 2.656 -2.364 6.261 1.00 0.00 C ATOM 385 C GLY A 25 2.671 -0.910 5.804 1.00 0.00 C ATOM 386 O GLY A 25 3.734 -0.322 5.608 1.00 0.00 O ATOM 0 H GLY A 25 0.990 -3.251 7.175 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.657 -2.659 6.575 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.381 -3.008 5.425 1.00 0.00 H new ATOM 390 N TYR A 26 1.484 -0.337 5.635 1.00 0.00 N ATOM 391 CA TYR A 26 1.358 1.067 5.267 1.00 0.00 C ATOM 392 C TYR A 26 1.993 1.971 6.316 1.00 0.00 C ATOM 393 O TYR A 26 2.736 2.895 5.984 1.00 0.00 O ATOM 394 CB TYR A 26 -0.113 1.438 5.067 1.00 0.00 C ATOM 395 CG TYR A 26 -0.346 2.917 4.849 1.00 0.00 C ATOM 396 CD1 TYR A 26 0.204 3.550 3.744 1.00 0.00 C ATOM 397 CD2 TYR A 26 -1.110 3.639 5.754 1.00 0.00 C ATOM 398 CE1 TYR A 26 -0.009 4.899 3.544 1.00 0.00 C ATOM 399 CE2 TYR A 26 -1.322 4.990 5.553 1.00 0.00 C ATOM 400 CZ TYR A 26 -0.775 5.619 4.454 1.00 0.00 C ATOM 401 OH TYR A 26 -0.987 6.964 4.255 1.00 0.00 O ATOM 0 H TYR A 26 0.595 -0.825 5.747 1.00 0.00 H new ATOM 0 HA TYR A 26 1.889 1.215 4.327 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.503 0.888 4.211 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.681 1.115 5.939 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.799 2.987 3.040 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.539 3.146 6.614 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.418 5.393 2.684 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.916 5.554 6.257 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.782 7.193 3.324 1.00 0.00 H new ATOM 411 N ARG A 27 1.696 1.700 7.582 1.00 0.00 N ATOM 412 CA ARG A 27 2.216 2.504 8.680 1.00 0.00 C ATOM 413 C ARG A 27 3.739 2.542 8.662 1.00 0.00 C ATOM 414 O ARG A 27 4.346 3.591 8.883 1.00 0.00 O ATOM 415 CB ARG A 27 1.742 1.955 10.017 1.00 0.00 C ATOM 416 CG ARG A 27 0.259 2.145 10.297 1.00 0.00 C ATOM 417 CD ARG A 27 -0.144 1.510 11.577 1.00 0.00 C ATOM 418 NE ARG A 27 0.454 2.173 12.726 1.00 0.00 N ATOM 419 CZ ARG A 27 0.447 1.686 13.981 1.00 0.00 C ATOM 420 NH1 ARG A 27 -0.130 0.533 14.235 1.00 0.00 N ATOM 421 NH2 ARG A 27 1.020 2.367 14.958 1.00 0.00 N ATOM 0 H ARG A 27 1.096 0.928 7.873 1.00 0.00 H new ATOM 0 HA ARG A 27 1.838 3.518 8.550 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.971 0.890 10.058 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.312 2.435 10.813 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.029 3.210 10.331 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.323 1.719 9.480 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.230 1.535 11.668 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.151 0.461 11.570 1.00 0.00 H new ATOM 0 HE ARG A 27 0.911 3.071 12.569 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.572 0.007 13.481 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.135 0.164 15.186 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.468 3.262 14.761 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.014 1.998 15.909 1.00 0.00 H new ATOM 435 N LYS A 28 4.351 1.393 8.399 1.00 0.00 N ATOM 436 CA LYS A 28 5.804 1.304 8.302 1.00 0.00 C ATOM 437 C LYS A 28 6.325 2.091 7.107 1.00 0.00 C ATOM 438 O LYS A 28 7.301 2.832 7.218 1.00 0.00 O ATOM 439 CB LYS A 28 6.244 -0.157 8.202 1.00 0.00 C ATOM 440 CG LYS A 28 6.058 -0.960 9.483 1.00 0.00 C ATOM 441 CD LYS A 28 6.478 -2.410 9.294 1.00 0.00 C ATOM 442 CE LYS A 28 6.270 -3.218 10.565 1.00 0.00 C ATOM 443 NZ LYS A 28 6.656 -4.645 10.388 1.00 0.00 N ATOM 0 H LYS A 28 3.864 0.510 8.249 1.00 0.00 H new ATOM 0 HA LYS A 28 6.227 1.740 9.207 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.683 -0.639 7.401 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.296 -0.188 7.918 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.645 -0.511 10.284 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.013 -0.919 9.792 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.904 -2.854 8.481 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.527 -2.451 9.002 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.857 -2.781 11.373 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.224 -3.160 10.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.499 -5.160 11.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.078 -5.070 9.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.661 -4.703 10.128 1.00 0.00 H new ATOM 457 N ALA A 29 5.670 1.925 5.964 1.00 0.00 N ATOM 458 CA ALA A 29 6.044 2.648 4.753 1.00 0.00 C ATOM 459 C ALA A 29 5.815 4.145 4.912 1.00 0.00 C ATOM 460 O ALA A 29 6.585 4.957 4.402 1.00 0.00 O ATOM 461 CB ALA A 29 5.266 2.118 3.558 1.00 0.00 C ATOM 0 H ALA A 29 4.876 1.295 5.850 1.00 0.00 H new ATOM 0 HA ALA A 29 7.108 2.487 4.581 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.556 2.667 2.662 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.486 1.059 3.421 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.198 2.247 3.733 1.00 0.00 H new ATOM 467 N ALA A 30 4.752 4.505 5.624 1.00 0.00 N ATOM 468 CA ALA A 30 4.430 5.905 5.868 1.00 0.00 C ATOM 469 C ALA A 30 5.523 6.587 6.681 1.00 0.00 C ATOM 470 O ALA A 30 5.880 7.736 6.419 1.00 0.00 O ATOM 471 CB ALA A 30 3.089 6.025 6.577 1.00 0.00 C ATOM 0 H ALA A 30 4.098 3.844 6.043 1.00 0.00 H new ATOM 0 HA ALA A 30 4.364 6.408 4.903 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.863 7.077 6.752 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.309 5.584 5.956 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.134 5.500 7.531 1.00 0.00 H new ATOM 477 N LEU A 31 6.051 5.873 7.670 1.00 0.00 N ATOM 478 CA LEU A 31 7.192 6.356 8.438 1.00 0.00 C ATOM 479 C LEU A 31 8.440 6.449 7.570 1.00 0.00 C ATOM 480 O LEU A 31 9.210 7.406 7.676 1.00 0.00 O ATOM 481 CB LEU A 31 7.459 5.427 9.630 1.00 0.00 C ATOM 482 CG LEU A 31 6.405 5.455 10.745 1.00 0.00 C ATOM 483 CD1 LEU A 31 6.702 4.352 11.752 1.00 0.00 C ATOM 484 CD2 LEU A 31 6.411 6.821 11.413 1.00 0.00 C ATOM 0 H LEU A 31 5.706 4.957 7.958 1.00 0.00 H new ATOM 0 HA LEU A 31 6.952 7.355 8.803 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.542 4.405 9.259 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.425 5.689 10.062 1.00 0.00 H new ATOM 0 HG LEU A 31 5.414 5.281 10.326 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.954 4.371 12.544 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.675 3.385 11.251 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.691 4.509 12.183 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.663 6.842 12.205 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.396 7.013 11.839 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.179 7.588 10.674 1.00 0.00 H new ATOM 496 N LYS A 32 8.635 5.454 6.712 1.00 0.00 N ATOM 497 CA LYS A 32 9.785 5.431 5.816 1.00 0.00 C ATOM 498 C LYS A 32 9.827 6.678 4.942 1.00 0.00 C ATOM 499 O LYS A 32 10.882 7.290 4.769 1.00 0.00 O ATOM 500 CB LYS A 32 9.754 4.177 4.939 1.00 0.00 C ATOM 501 CG LYS A 32 10.936 4.045 3.989 1.00 0.00 C ATOM 502 CD LYS A 32 10.869 2.745 3.201 1.00 0.00 C ATOM 503 CE LYS A 32 12.046 2.615 2.245 1.00 0.00 C ATOM 504 NZ LYS A 32 12.003 1.341 1.479 1.00 0.00 N ATOM 0 H LYS A 32 8.011 4.652 6.618 1.00 0.00 H new ATOM 0 HA LYS A 32 10.686 5.414 6.429 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.721 3.298 5.583 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.833 4.179 4.356 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.948 4.890 3.300 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.867 4.082 4.555 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.862 1.900 3.890 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.936 2.706 2.639 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.044 3.456 1.551 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.978 2.668 2.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.822 1.292 0.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.031 0.538 2.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.126 1.301 0.921 1.00 0.00 H new ATOM 518 N TYR A 33 8.676 7.051 4.395 1.00 0.00 N ATOM 519 CA TYR A 33 8.591 8.191 3.490 1.00 0.00 C ATOM 520 C TYR A 33 7.913 9.379 4.159 1.00 0.00 C ATOM 521 O TYR A 33 7.358 10.249 3.488 1.00 0.00 O ATOM 522 CB TYR A 33 7.843 7.805 2.212 1.00 0.00 C ATOM 523 CG TYR A 33 8.492 6.676 1.442 1.00 0.00 C ATOM 524 CD1 TYR A 33 7.841 5.457 1.317 1.00 0.00 C ATOM 525 CD2 TYR A 33 9.738 6.859 0.860 1.00 0.00 C ATOM 526 CE1 TYR A 33 8.435 4.426 0.614 1.00 0.00 C ATOM 527 CE2 TYR A 33 10.332 5.829 0.158 1.00 0.00 C ATOM 528 CZ TYR A 33 9.684 4.617 0.032 1.00 0.00 C ATOM 529 OH TYR A 33 10.274 3.589 -0.667 1.00 0.00 O ATOM 0 H TYR A 33 7.787 6.580 4.563 1.00 0.00 H new ATOM 0 HA TYR A 33 9.607 8.486 3.229 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.824 7.517 2.471 1.00 0.00 H new ATOM 0 HB3 TYR A 33 7.772 8.680 1.565 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.871 5.314 1.769 1.00 0.00 H new ATOM 0 HD2 TYR A 33 10.244 7.808 0.956 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.931 3.476 0.517 1.00 0.00 H new ATOM 0 HE2 TYR A 33 11.303 5.972 -0.292 1.00 0.00 H new ATOM 0 HH TYR A 33 11.143 3.884 -1.012 1.00 0.00 H new ATOM 539 N HIS A 34 7.963 9.410 5.487 1.00 0.00 N ATOM 540 CA HIS A 34 7.300 10.459 6.253 1.00 0.00 C ATOM 541 C HIS A 34 7.935 11.819 5.991 1.00 0.00 C ATOM 542 O HIS A 34 9.158 11.958 6.014 1.00 0.00 O ATOM 543 CB HIS A 34 7.349 10.146 7.753 1.00 0.00 C ATOM 544 CG HIS A 34 6.369 10.936 8.563 1.00 0.00 C ATOM 545 ND1 HIS A 34 6.539 12.278 8.837 1.00 0.00 N ATOM 546 CD2 HIS A 34 5.210 10.573 9.162 1.00 0.00 C ATOM 547 CE1 HIS A 34 5.524 12.706 9.567 1.00 0.00 C ATOM 548 NE2 HIS A 34 4.706 11.691 9.778 1.00 0.00 N ATOM 0 H HIS A 34 8.456 8.721 6.055 1.00 0.00 H new ATOM 0 HA HIS A 34 6.260 10.495 5.929 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.156 9.083 7.900 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.355 10.342 8.124 1.00 0.00 H new ATOM 0 HD2 HIS A 34 4.766 9.589 9.156 1.00 0.00 H new ATOM 0 HE1 HIS A 34 5.387 13.714 9.929 1.00 0.00 H new ATOM 0 HE2 HIS A 34 3.839 11.731 10.313 1.00 0.00 H new ATOM 556 N PRO A 35 7.097 12.818 5.741 1.00 0.00 N ATOM 557 CA PRO A 35 7.576 14.143 5.361 1.00 0.00 C ATOM 558 C PRO A 35 8.577 14.679 6.376 1.00 0.00 C ATOM 559 O PRO A 35 9.517 15.390 6.020 1.00 0.00 O ATOM 560 CB PRO A 35 6.293 14.980 5.336 1.00 0.00 C ATOM 561 CG PRO A 35 5.235 14.013 4.926 1.00 0.00 C ATOM 562 CD PRO A 35 5.606 12.732 5.626 1.00 0.00 C ATOM 0 HA PRO A 35 8.107 14.153 4.409 1.00 0.00 H new ATOM 0 HB2 PRO A 35 6.080 15.413 6.314 1.00 0.00 H new ATOM 0 HB3 PRO A 35 6.371 15.808 4.631 1.00 0.00 H new ATOM 0 HG2 PRO A 35 4.245 14.357 5.225 1.00 0.00 H new ATOM 0 HG3 PRO A 35 5.214 13.883 3.844 1.00 0.00 H new ATOM 0 HD2 PRO A 35 5.131 12.657 6.604 1.00 0.00 H new ATOM 0 HD3 PRO A 35 5.297 11.857 5.054 1.00 0.00 H new ATOM 570 N ASP A 36 8.369 14.336 7.643 1.00 0.00 N ATOM 571 CA ASP A 36 9.128 14.935 8.734 1.00 0.00 C ATOM 572 C ASP A 36 10.361 14.106 9.068 1.00 0.00 C ATOM 573 O ASP A 36 11.028 14.345 10.075 1.00 0.00 O ATOM 574 CB ASP A 36 8.252 15.082 9.980 1.00 0.00 C ATOM 575 CG ASP A 36 7.127 16.093 9.798 1.00 0.00 C ATOM 576 OD1 ASP A 36 7.264 16.961 8.970 1.00 0.00 O ATOM 577 OD2 ASP A 36 6.142 15.988 10.489 1.00 0.00 O ATOM 0 H ASP A 36 7.680 13.645 7.940 1.00 0.00 H new ATOM 0 HA ASP A 36 9.454 15.922 8.406 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.824 14.112 10.234 1.00 0.00 H new ATOM 0 HB3 ASP A 36 8.874 15.386 10.822 1.00 0.00 H new ATOM 582 N LYS A 37 10.659 13.130 8.218 1.00 0.00 N ATOM 583 CA LYS A 37 11.854 12.308 8.381 1.00 0.00 C ATOM 584 C LYS A 37 12.889 12.623 7.310 1.00 0.00 C ATOM 585 O LYS A 37 12.553 13.126 6.237 1.00 0.00 O ATOM 586 CB LYS A 37 11.492 10.823 8.344 1.00 0.00 C ATOM 587 CG LYS A 37 10.557 10.375 9.460 1.00 0.00 C ATOM 588 CD LYS A 37 11.229 10.489 10.821 1.00 0.00 C ATOM 589 CE LYS A 37 10.333 9.951 11.928 1.00 0.00 C ATOM 590 NZ LYS A 37 10.951 10.111 13.272 1.00 0.00 N ATOM 0 H LYS A 37 10.089 12.888 7.408 1.00 0.00 H new ATOM 0 HA LYS A 37 12.289 12.541 9.353 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.026 10.599 7.384 1.00 0.00 H new ATOM 0 HB3 LYS A 37 12.409 10.237 8.398 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.653 10.983 9.446 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.250 9.343 9.288 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.170 9.938 10.812 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.473 11.532 11.022 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.376 10.472 11.905 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.127 8.896 11.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.309 9.732 13.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.852 9.593 13.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.125 11.120 13.456 1.00 0.00 H new ATOM 604 N PRO A 38 14.149 12.323 7.605 1.00 0.00 N ATOM 605 CA PRO A 38 15.238 12.583 6.672 1.00 0.00 C ATOM 606 C PRO A 38 14.984 11.911 5.327 1.00 0.00 C ATOM 607 O PRO A 38 15.396 12.417 4.283 1.00 0.00 O ATOM 608 CB PRO A 38 16.454 11.982 7.383 1.00 0.00 C ATOM 609 CG PRO A 38 16.117 12.084 8.831 1.00 0.00 C ATOM 610 CD PRO A 38 14.642 11.790 8.895 1.00 0.00 C ATOM 0 HA PRO A 38 15.363 13.641 6.440 1.00 0.00 H new ATOM 0 HB2 PRO A 38 16.619 10.947 7.084 1.00 0.00 H new ATOM 0 HB3 PRO A 38 17.365 12.531 7.146 1.00 0.00 H new ATOM 0 HG2 PRO A 38 16.690 11.371 9.423 1.00 0.00 H new ATOM 0 HG3 PRO A 38 16.342 13.076 9.222 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.446 10.722 8.994 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.167 12.281 9.744 1.00 0.00 H new ATOM 618 N THR A 39 14.304 10.771 5.361 1.00 0.00 N ATOM 619 CA THR A 39 14.059 9.990 4.155 1.00 0.00 C ATOM 620 C THR A 39 12.658 10.243 3.609 1.00 0.00 C ATOM 621 O THR A 39 12.131 9.443 2.838 1.00 0.00 O ATOM 622 CB THR A 39 14.246 8.486 4.422 1.00 0.00 C ATOM 623 OG1 THR A 39 13.349 8.066 5.458 1.00 0.00 O ATOM 624 CG2 THR A 39 15.677 8.193 4.846 1.00 0.00 C ATOM 0 H THR A 39 13.912 10.367 6.212 1.00 0.00 H new ATOM 0 HA THR A 39 14.788 10.309 3.410 1.00 0.00 H new ATOM 0 HB THR A 39 14.031 7.940 3.503 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.621 7.539 5.067 1.00 0.00 H new ATOM 0 HG21 THR A 39 15.790 7.125 5.030 1.00 0.00 H new ATOM 0 HG22 THR A 39 16.361 8.499 4.054 1.00 0.00 H new ATOM 0 HG23 THR A 39 15.907 8.745 5.757 1.00 0.00 H new ATOM 632 N GLY A 40 12.064 11.359 4.015 1.00 0.00 N ATOM 633 CA GLY A 40 10.717 11.709 3.582 1.00 0.00 C ATOM 634 C GLY A 40 10.648 11.873 2.070 1.00 0.00 C ATOM 635 O GLY A 40 11.579 12.384 1.448 1.00 0.00 O ATOM 0 H GLY A 40 12.494 12.037 4.644 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.018 10.935 3.898 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.406 12.635 4.065 1.00 0.00 H new ATOM 639 N ASP A 41 9.537 11.437 1.483 1.00 0.00 N ATOM 640 CA ASP A 41 9.353 11.519 0.040 1.00 0.00 C ATOM 641 C ASP A 41 7.874 11.583 -0.323 1.00 0.00 C ATOM 642 O ASP A 41 7.170 10.574 -0.281 1.00 0.00 O ATOM 643 CB ASP A 41 10.002 10.319 -0.654 1.00 0.00 C ATOM 644 CG ASP A 41 9.931 10.404 -2.173 1.00 0.00 C ATOM 645 OD1 ASP A 41 8.972 10.941 -2.675 1.00 0.00 O ATOM 646 OD2 ASP A 41 10.837 9.929 -2.818 1.00 0.00 O ATOM 0 H ASP A 41 8.752 11.024 1.986 1.00 0.00 H new ATOM 0 HA ASP A 41 9.835 12.435 -0.303 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.046 10.249 -0.347 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.510 9.404 -0.323 1.00 0.00 H new ATOM 651 N THR A 42 7.409 12.775 -0.680 1.00 0.00 N ATOM 652 CA THR A 42 5.988 13.007 -0.910 1.00 0.00 C ATOM 653 C THR A 42 5.459 12.114 -2.027 1.00 0.00 C ATOM 654 O THR A 42 4.377 11.539 -1.913 1.00 0.00 O ATOM 655 CB THR A 42 5.713 14.482 -1.253 1.00 0.00 C ATOM 656 OG1 THR A 42 6.101 15.311 -0.150 1.00 0.00 O ATOM 657 CG2 THR A 42 4.237 14.695 -1.549 1.00 0.00 C ATOM 0 H THR A 42 7.997 13.597 -0.817 1.00 0.00 H new ATOM 0 HA THR A 42 5.467 12.759 0.015 1.00 0.00 H new ATOM 0 HB THR A 42 6.291 14.748 -2.138 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.927 16.250 -0.370 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.062 15.744 -1.789 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.942 14.075 -2.395 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.647 14.420 -0.675 1.00 0.00 H new ATOM 665 N GLU A 43 6.229 12.006 -3.104 1.00 0.00 N ATOM 666 CA GLU A 43 5.829 11.200 -4.251 1.00 0.00 C ATOM 667 C GLU A 43 5.581 9.752 -3.850 1.00 0.00 C ATOM 668 O GLU A 43 4.534 9.183 -4.161 1.00 0.00 O ATOM 669 CB GLU A 43 6.900 11.260 -5.344 1.00 0.00 C ATOM 670 CG GLU A 43 6.567 10.459 -6.594 1.00 0.00 C ATOM 671 CD GLU A 43 7.610 10.591 -7.669 1.00 0.00 C ATOM 672 OE1 GLU A 43 8.541 11.339 -7.478 1.00 0.00 O ATOM 673 OE2 GLU A 43 7.478 9.945 -8.681 1.00 0.00 O ATOM 0 H GLU A 43 7.133 12.466 -3.207 1.00 0.00 H new ATOM 0 HA GLU A 43 4.897 11.612 -4.638 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.057 12.301 -5.625 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.842 10.895 -4.934 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.458 9.408 -6.327 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.605 10.790 -6.986 1.00 0.00 H new ATOM 680 N LYS A 44 6.547 9.161 -3.157 1.00 0.00 N ATOM 681 CA LYS A 44 6.441 7.773 -2.722 1.00 0.00 C ATOM 682 C LYS A 44 5.391 7.618 -1.629 1.00 0.00 C ATOM 683 O LYS A 44 4.734 6.581 -1.530 1.00 0.00 O ATOM 684 CB LYS A 44 7.794 7.262 -2.227 1.00 0.00 C ATOM 685 CG LYS A 44 8.883 7.232 -3.291 1.00 0.00 C ATOM 686 CD LYS A 44 8.480 6.360 -4.472 1.00 0.00 C ATOM 687 CE LYS A 44 8.535 4.883 -4.113 1.00 0.00 C ATOM 688 NZ LYS A 44 8.240 4.015 -5.285 1.00 0.00 N ATOM 0 H LYS A 44 7.415 9.622 -2.884 1.00 0.00 H new ATOM 0 HA LYS A 44 6.131 7.177 -3.580 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.127 7.892 -1.402 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.665 6.256 -1.828 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.084 8.246 -3.637 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.808 6.854 -2.856 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.471 6.621 -4.792 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.143 6.556 -5.315 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.523 4.641 -3.722 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.818 4.676 -3.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.288 3.016 -4.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.287 4.227 -5.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.939 4.194 -6.034 1.00 0.00 H new ATOM 702 N PHE A 45 5.237 8.654 -0.812 1.00 0.00 N ATOM 703 CA PHE A 45 4.218 8.662 0.230 1.00 0.00 C ATOM 704 C PHE A 45 2.819 8.586 -0.366 1.00 0.00 C ATOM 705 O PHE A 45 1.946 7.895 0.160 1.00 0.00 O ATOM 706 CB PHE A 45 4.343 9.922 1.090 1.00 0.00 C ATOM 707 CG PHE A 45 3.515 9.885 2.343 1.00 0.00 C ATOM 708 CD1 PHE A 45 2.247 10.444 2.371 1.00 0.00 C ATOM 709 CD2 PHE A 45 4.005 9.292 3.498 1.00 0.00 C ATOM 710 CE1 PHE A 45 1.485 10.410 3.523 1.00 0.00 C ATOM 711 CE2 PHE A 45 3.245 9.256 4.651 1.00 0.00 C ATOM 712 CZ PHE A 45 1.984 9.817 4.664 1.00 0.00 C ATOM 0 H PHE A 45 5.806 9.500 -0.852 1.00 0.00 H new ATOM 0 HA PHE A 45 4.376 7.782 0.854 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.389 10.063 1.361 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.048 10.787 0.496 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.850 10.912 1.482 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.992 8.854 3.495 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.498 10.848 3.530 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.638 8.789 5.542 1.00 0.00 H new ATOM 0 HZ PHE A 45 1.390 9.792 5.565 1.00 0.00 H new ATOM 722 N LYS A 46 2.610 9.298 -1.468 1.00 0.00 N ATOM 723 CA LYS A 46 1.336 9.262 -2.175 1.00 0.00 C ATOM 724 C LYS A 46 1.084 7.891 -2.789 1.00 0.00 C ATOM 725 O LYS A 46 -0.042 7.397 -2.787 1.00 0.00 O ATOM 726 CB LYS A 46 1.295 10.340 -3.260 1.00 0.00 C ATOM 727 CG LYS A 46 1.158 11.761 -2.732 1.00 0.00 C ATOM 728 CD LYS A 46 1.128 12.773 -3.867 1.00 0.00 C ATOM 729 CE LYS A 46 0.886 14.183 -3.348 1.00 0.00 C ATOM 730 NZ LYS A 46 0.886 15.188 -4.445 1.00 0.00 N ATOM 0 H LYS A 46 3.309 9.908 -1.892 1.00 0.00 H new ATOM 0 HA LYS A 46 0.547 9.460 -1.449 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.205 10.273 -3.856 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.460 10.132 -3.930 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.245 11.846 -2.143 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.990 11.985 -2.065 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.072 12.741 -4.410 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.344 12.505 -4.575 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.069 14.218 -2.824 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.657 14.439 -2.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.718 16.135 -4.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.806 15.174 -4.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.134 14.959 -5.126 1.00 0.00 H new ATOM 744 N GLU A 47 2.142 7.280 -3.312 1.00 0.00 N ATOM 745 CA GLU A 47 2.035 5.971 -3.945 1.00 0.00 C ATOM 746 C GLU A 47 1.555 4.918 -2.954 1.00 0.00 C ATOM 747 O GLU A 47 0.666 4.123 -3.261 1.00 0.00 O ATOM 748 CB GLU A 47 3.383 5.552 -4.537 1.00 0.00 C ATOM 749 CG GLU A 47 3.789 6.325 -5.783 1.00 0.00 C ATOM 750 CD GLU A 47 5.109 5.875 -6.345 1.00 0.00 C ATOM 751 OE1 GLU A 47 5.691 4.971 -5.795 1.00 0.00 O ATOM 752 OE2 GLU A 47 5.535 6.435 -7.328 1.00 0.00 O ATOM 0 H GLU A 47 3.084 7.671 -3.310 1.00 0.00 H new ATOM 0 HA GLU A 47 1.301 6.048 -4.747 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.155 5.679 -3.778 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.346 4.490 -4.779 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.017 6.209 -6.544 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.844 7.387 -5.544 1.00 0.00 H new ATOM 759 N ILE A 48 2.148 4.918 -1.765 1.00 0.00 N ATOM 760 CA ILE A 48 1.801 3.945 -0.737 1.00 0.00 C ATOM 761 C ILE A 48 0.451 4.266 -0.108 1.00 0.00 C ATOM 762 O ILE A 48 -0.230 3.380 0.410 1.00 0.00 O ATOM 763 CB ILE A 48 2.879 3.897 0.361 1.00 0.00 C ATOM 764 CG1 ILE A 48 2.968 5.244 1.082 1.00 0.00 C ATOM 765 CG2 ILE A 48 4.227 3.520 -0.235 1.00 0.00 C ATOM 766 CD1 ILE A 48 3.838 5.219 2.318 1.00 0.00 C ATOM 0 H ILE A 48 2.872 5.582 -1.490 1.00 0.00 H new ATOM 0 HA ILE A 48 1.741 2.970 -1.221 1.00 0.00 H new ATOM 0 HB ILE A 48 2.599 3.135 1.089 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.358 5.991 0.390 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.964 5.562 1.362 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.978 3.490 0.554 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.156 2.539 -0.705 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.514 4.260 -0.982 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.852 6.209 2.774 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.438 4.497 3.030 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.853 4.932 2.043 1.00 0.00 H new ATOM 778 N SER A 49 0.069 5.537 -0.158 1.00 0.00 N ATOM 779 CA SER A 49 -1.237 5.964 0.333 1.00 0.00 C ATOM 780 C SER A 49 -2.355 5.473 -0.577 1.00 0.00 C ATOM 781 O SER A 49 -3.415 5.058 -0.107 1.00 0.00 O ATOM 782 CB SER A 49 -1.285 7.475 0.440 1.00 0.00 C ATOM 783 OG SER A 49 -0.429 7.935 1.449 1.00 0.00 O ATOM 0 H SER A 49 0.645 6.290 -0.534 1.00 0.00 H new ATOM 0 HA SER A 49 -1.385 5.527 1.321 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.001 7.920 -0.514 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.305 7.796 0.650 1.00 0.00 H new ATOM 0 HG SER A 49 0.484 7.999 1.099 1.00 0.00 H new ATOM 789 N GLU A 50 -2.113 5.526 -1.883 1.00 0.00 N ATOM 790 CA GLU A 50 -3.012 4.912 -2.853 1.00 0.00 C ATOM 791 C GLU A 50 -3.089 3.404 -2.657 1.00 0.00 C ATOM 792 O GLU A 50 -4.174 2.825 -2.630 1.00 0.00 O ATOM 793 CB GLU A 50 -2.555 5.230 -4.278 1.00 0.00 C ATOM 794 CG GLU A 50 -3.455 4.663 -5.367 1.00 0.00 C ATOM 795 CD GLU A 50 -2.971 4.989 -6.753 1.00 0.00 C ATOM 796 OE1 GLU A 50 -1.857 5.437 -6.884 1.00 0.00 O ATOM 797 OE2 GLU A 50 -3.716 4.788 -7.685 1.00 0.00 O ATOM 0 H GLU A 50 -1.302 5.988 -2.294 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.007 5.328 -2.695 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.500 6.312 -4.396 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -1.546 4.842 -4.418 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.516 3.581 -5.254 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.464 5.055 -5.238 1.00 0.00 H new ATOM 804 N ALA A 51 -1.928 2.771 -2.523 1.00 0.00 N ATOM 805 CA ALA A 51 -1.863 1.336 -2.271 1.00 0.00 C ATOM 806 C ALA A 51 -2.693 0.952 -1.053 1.00 0.00 C ATOM 807 O ALA A 51 -3.454 -0.013 -1.089 1.00 0.00 O ATOM 808 CB ALA A 51 -0.417 0.896 -2.086 1.00 0.00 C ATOM 0 H ALA A 51 -1.019 3.230 -2.585 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.280 0.823 -3.138 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.384 -0.177 -1.899 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.151 1.124 -2.988 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.019 1.426 -1.239 1.00 0.00 H new ATOM 814 N PHE A 52 -2.541 1.715 0.024 1.00 0.00 N ATOM 815 CA PHE A 52 -3.309 1.482 1.242 1.00 0.00 C ATOM 816 C PHE A 52 -4.805 1.600 0.980 1.00 0.00 C ATOM 817 O PHE A 52 -5.572 0.687 1.288 1.00 0.00 O ATOM 818 CB PHE A 52 -2.896 2.473 2.332 1.00 0.00 C ATOM 819 CG PHE A 52 -3.740 2.396 3.572 1.00 0.00 C ATOM 820 CD1 PHE A 52 -3.673 1.290 4.406 1.00 0.00 C ATOM 821 CD2 PHE A 52 -4.602 3.429 3.909 1.00 0.00 C ATOM 822 CE1 PHE A 52 -4.448 1.217 5.547 1.00 0.00 C ATOM 823 CE2 PHE A 52 -5.377 3.359 5.050 1.00 0.00 C ATOM 824 CZ PHE A 52 -5.300 2.252 5.869 1.00 0.00 C ATOM 0 H PHE A 52 -1.893 2.501 0.078 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.096 0.468 1.580 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.855 2.291 2.600 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.949 3.485 1.930 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.007 0.476 4.160 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.668 4.298 3.272 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.387 0.349 6.187 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.043 4.171 5.301 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.906 2.196 6.761 1.00 0.00 H new ATOM 834 N GLU A 53 -5.212 2.729 0.412 1.00 0.00 N ATOM 835 CA GLU A 53 -6.624 2.988 0.150 1.00 0.00 C ATOM 836 C GLU A 53 -7.262 1.838 -0.619 1.00 0.00 C ATOM 837 O GLU A 53 -8.329 1.348 -0.251 1.00 0.00 O ATOM 838 CB GLU A 53 -6.790 4.292 -0.634 1.00 0.00 C ATOM 839 CG GLU A 53 -8.195 4.526 -1.173 1.00 0.00 C ATOM 840 CD GLU A 53 -9.213 4.722 -0.086 1.00 0.00 C ATOM 841 OE1 GLU A 53 -8.830 5.062 1.009 1.00 0.00 O ATOM 842 OE2 GLU A 53 -10.378 4.532 -0.348 1.00 0.00 O ATOM 0 H GLU A 53 -4.585 3.480 0.124 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.129 3.080 1.111 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.518 5.127 0.011 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.089 4.292 -1.469 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.189 5.403 -1.821 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.488 3.676 -1.790 1.00 0.00 H new ATOM 849 N ILE A 54 -6.601 1.409 -1.690 1.00 0.00 N ATOM 850 CA ILE A 54 -7.119 0.338 -2.532 1.00 0.00 C ATOM 851 C ILE A 54 -7.152 -0.985 -1.780 1.00 0.00 C ATOM 852 O ILE A 54 -8.128 -1.733 -1.863 1.00 0.00 O ATOM 853 CB ILE A 54 -6.272 0.184 -3.807 1.00 0.00 C ATOM 854 CG1 ILE A 54 -6.448 1.403 -4.717 1.00 0.00 C ATOM 855 CG2 ILE A 54 -6.645 -1.093 -4.544 1.00 0.00 C ATOM 856 CD1 ILE A 54 -5.452 1.467 -5.852 1.00 0.00 C ATOM 0 H ILE A 54 -5.704 1.788 -1.995 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.137 0.608 -2.812 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.223 0.119 -3.519 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.456 1.393 -5.131 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.359 2.308 -4.117 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.036 -1.185 -5.443 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.468 -1.952 -3.896 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.699 -1.058 -4.821 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.641 2.357 -6.452 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.441 1.510 -5.447 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.555 0.580 -6.477 1.00 0.00 H new ATOM 868 N LEU A 55 -6.082 -1.272 -1.046 1.00 0.00 N ATOM 869 CA LEU A 55 -5.931 -2.560 -0.381 1.00 0.00 C ATOM 870 C LEU A 55 -6.592 -2.552 0.992 1.00 0.00 C ATOM 871 O LEU A 55 -6.682 -3.586 1.653 1.00 0.00 O ATOM 872 CB LEU A 55 -4.444 -2.912 -0.238 1.00 0.00 C ATOM 873 CG LEU A 55 -3.668 -3.063 -1.552 1.00 0.00 C ATOM 874 CD1 LEU A 55 -2.202 -3.334 -1.245 1.00 0.00 C ATOM 875 CD2 LEU A 55 -4.272 -4.193 -2.372 1.00 0.00 C ATOM 0 H LEU A 55 -5.305 -0.628 -0.897 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.424 -3.313 -0.995 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.962 -2.139 0.360 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.362 -3.845 0.320 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.735 -2.143 -2.133 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.649 -3.442 -2.178 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.790 -2.503 -0.673 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.116 -4.252 -0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.720 -4.300 -3.306 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.214 -5.124 -1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.315 -3.966 -2.591 1.00 0.00 H new ATOM 887 N ASN A 56 -7.054 -1.379 1.413 1.00 0.00 N ATOM 888 CA ASN A 56 -7.828 -1.258 2.643 1.00 0.00 C ATOM 889 C ASN A 56 -9.289 -1.621 2.413 1.00 0.00 C ATOM 890 O ASN A 56 -9.829 -2.509 3.070 1.00 0.00 O ATOM 891 CB ASN A 56 -7.708 0.144 3.213 1.00 0.00 C ATOM 892 CG ASN A 56 -8.398 0.287 4.541 1.00 0.00 C ATOM 893 OD1 ASN A 56 -8.093 -0.439 5.494 1.00 0.00 O ATOM 894 ND2 ASN A 56 -9.322 1.211 4.622 1.00 0.00 N ATOM 0 H ASN A 56 -6.906 -0.498 0.920 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.419 -1.962 3.367 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.654 0.398 3.326 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -8.134 0.857 2.507 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.824 1.355 5.498 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.540 1.787 3.809 1.00 0.00 H new ATOM 901 N ASP A 57 -9.923 -0.928 1.473 1.00 0.00 N ATOM 902 CA ASP A 57 -11.290 -1.248 1.076 1.00 0.00 C ATOM 903 C ASP A 57 -11.369 -2.631 0.441 1.00 0.00 C ATOM 904 O ASP A 57 -10.784 -2.874 -0.613 1.00 0.00 O ATOM 905 CB ASP A 57 -11.824 -0.200 0.097 1.00 0.00 C ATOM 906 CG ASP A 57 -13.285 -0.423 -0.272 1.00 0.00 C ATOM 907 OD1 ASP A 57 -13.789 -1.485 0.002 1.00 0.00 O ATOM 908 OD2 ASP A 57 -13.880 0.471 -0.823 1.00 0.00 O ATOM 0 H ASP A 57 -9.512 -0.141 0.971 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.905 -1.244 1.976 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.713 0.791 0.537 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.219 -0.216 -0.810 1.00 0.00 H new ATOM 913 N PRO A 58 -12.098 -3.533 1.090 1.00 0.00 N ATOM 914 CA PRO A 58 -12.217 -4.906 0.615 1.00 0.00 C ATOM 915 C PRO A 58 -12.639 -4.948 -0.848 1.00 0.00 C ATOM 916 O PRO A 58 -12.192 -5.807 -1.609 1.00 0.00 O ATOM 917 CB PRO A 58 -13.295 -5.494 1.531 1.00 0.00 C ATOM 918 CG PRO A 58 -13.123 -4.760 2.816 1.00 0.00 C ATOM 919 CD PRO A 58 -12.799 -3.349 2.401 1.00 0.00 C ATOM 0 HA PRO A 58 -11.279 -5.460 0.653 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -14.293 -5.346 1.118 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -13.162 -6.568 1.665 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -14.030 -4.798 3.420 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.322 -5.192 3.416 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -13.699 -2.743 2.295 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -12.163 -2.850 3.132 1.00 0.00 H new ATOM 927 N GLN A 59 -13.502 -4.015 -1.237 1.00 0.00 N ATOM 928 CA GLN A 59 -13.994 -3.950 -2.607 1.00 0.00 C ATOM 929 C GLN A 59 -12.874 -3.601 -3.580 1.00 0.00 C ATOM 930 O GLN A 59 -12.648 -4.306 -4.563 1.00 0.00 O ATOM 931 CB GLN A 59 -15.126 -2.926 -2.723 1.00 0.00 C ATOM 932 CG GLN A 59 -15.760 -2.853 -4.102 1.00 0.00 C ATOM 933 CD GLN A 59 -16.494 -4.128 -4.470 1.00 0.00 C ATOM 934 OE1 GLN A 59 -17.313 -4.635 -3.697 1.00 0.00 O ATOM 935 NE2 GLN A 59 -16.206 -4.654 -5.655 1.00 0.00 N ATOM 0 H GLN A 59 -13.875 -3.293 -0.621 1.00 0.00 H new ATOM 0 HA GLN A 59 -14.379 -4.936 -2.868 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -15.898 -3.170 -1.993 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -14.739 -1.941 -2.461 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -16.455 -2.014 -4.135 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -14.987 -2.655 -4.844 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -15.522 -4.201 -6.262 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -16.668 -5.511 -5.959 1.00 0.00 H new ATOM 944 N LYS A 60 -12.175 -2.506 -3.298 1.00 0.00 N ATOM 945 CA LYS A 60 -11.080 -2.055 -4.152 1.00 0.00 C ATOM 946 C LYS A 60 -9.946 -3.072 -4.174 1.00 0.00 C ATOM 947 O LYS A 60 -9.316 -3.290 -5.208 1.00 0.00 O ATOM 948 CB LYS A 60 -10.560 -0.696 -3.682 1.00 0.00 C ATOM 949 CG LYS A 60 -11.537 0.455 -3.881 1.00 0.00 C ATOM 950 CD LYS A 60 -10.960 1.764 -3.369 1.00 0.00 C ATOM 951 CE LYS A 60 -11.972 2.897 -3.474 1.00 0.00 C ATOM 952 NZ LYS A 60 -11.402 4.196 -3.028 1.00 0.00 N ATOM 0 H LYS A 60 -12.347 -1.914 -2.485 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.466 -1.954 -5.166 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.308 -0.763 -2.624 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.637 -0.469 -4.216 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.778 0.551 -4.940 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.469 0.238 -3.360 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.651 1.645 -2.330 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.067 2.018 -3.940 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.312 2.985 -4.506 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.847 2.659 -2.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.129 4.937 -3.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.086 4.116 -2.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.593 4.446 -3.632 1.00 0.00 H new ATOM 966 N ARG A 61 -9.692 -3.693 -3.028 1.00 0.00 N ATOM 967 CA ARG A 61 -8.650 -4.708 -2.920 1.00 0.00 C ATOM 968 C ARG A 61 -8.924 -5.879 -3.853 1.00 0.00 C ATOM 969 O ARG A 61 -8.039 -6.325 -4.583 1.00 0.00 O ATOM 970 CB ARG A 61 -8.542 -5.214 -1.489 1.00 0.00 C ATOM 971 CG ARG A 61 -7.484 -6.284 -1.268 1.00 0.00 C ATOM 972 CD ARG A 61 -7.559 -6.855 0.101 1.00 0.00 C ATOM 973 NE ARG A 61 -8.890 -7.352 0.409 1.00 0.00 N ATOM 974 CZ ARG A 61 -9.445 -8.449 -0.143 1.00 0.00 C ATOM 975 NH1 ARG A 61 -8.771 -9.153 -1.025 1.00 0.00 N ATOM 976 NH2 ARG A 61 -10.665 -8.820 0.205 1.00 0.00 N ATOM 0 H ARG A 61 -10.194 -3.511 -2.159 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.708 -4.243 -3.210 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.326 -4.369 -0.835 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.510 -5.612 -1.186 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.612 -7.080 -2.002 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.495 -5.857 -1.431 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.838 -7.667 0.196 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.279 -6.093 0.828 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.443 -6.834 1.091 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.828 -8.869 -1.291 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.191 -9.983 -1.443 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.187 -8.276 0.892 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.084 -9.650 -0.213 1.00 0.00 H new ATOM 990 N GLU A 62 -10.156 -6.377 -3.823 1.00 0.00 N ATOM 991 CA GLU A 62 -10.553 -7.490 -4.677 1.00 0.00 C ATOM 992 C GLU A 62 -10.457 -7.115 -6.150 1.00 0.00 C ATOM 993 O GLU A 62 -10.035 -7.922 -6.978 1.00 0.00 O ATOM 994 CB GLU A 62 -11.981 -7.932 -4.346 1.00 0.00 C ATOM 995 CG GLU A 62 -12.110 -8.720 -3.050 1.00 0.00 C ATOM 996 CD GLU A 62 -11.462 -10.074 -3.121 1.00 0.00 C ATOM 997 OE1 GLU A 62 -11.430 -10.642 -4.186 1.00 0.00 O ATOM 998 OE2 GLU A 62 -10.997 -10.542 -2.108 1.00 0.00 O ATOM 0 H GLU A 62 -10.897 -6.027 -3.216 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.868 -8.317 -4.488 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -12.617 -7.049 -4.285 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.359 -8.541 -5.167 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.660 -8.150 -2.238 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -13.166 -8.841 -2.808 1.00 0.00 H new ATOM 1005 N ILE A 63 -10.850 -5.887 -6.471 1.00 0.00 N ATOM 1006 CA ILE A 63 -10.748 -5.382 -7.834 1.00 0.00 C ATOM 1007 C ILE A 63 -9.301 -5.367 -8.310 1.00 0.00 C ATOM 1008 O ILE A 63 -9.004 -5.755 -9.439 1.00 0.00 O ATOM 1009 CB ILE A 63 -11.341 -3.964 -7.940 1.00 0.00 C ATOM 1010 CG1 ILE A 63 -12.857 -4.004 -7.742 1.00 0.00 C ATOM 1011 CG2 ILE A 63 -10.992 -3.343 -9.283 1.00 0.00 C ATOM 1012 CD1 ILE A 63 -13.482 -2.641 -7.542 1.00 0.00 C ATOM 0 H ILE A 63 -11.243 -5.223 -5.804 1.00 0.00 H new ATOM 0 HA ILE A 63 -11.319 -6.055 -8.473 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.908 -3.346 -7.153 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -13.315 -4.480 -8.609 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -13.085 -4.628 -6.878 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -11.418 -2.341 -9.342 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -9.908 -3.283 -9.386 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -11.399 -3.959 -10.085 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -14.558 -2.750 -7.408 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -13.053 -2.170 -6.658 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -13.286 -2.019 -8.416 1.00 0.00 H new ATOM 1024 N TYR A 64 -8.404 -4.913 -7.440 1.00 0.00 N ATOM 1025 CA TYR A 64 -6.976 -4.928 -7.736 1.00 0.00 C ATOM 1026 C TYR A 64 -6.468 -6.352 -7.928 1.00 0.00 C ATOM 1027 O TYR A 64 -5.811 -6.657 -8.923 1.00 0.00 O ATOM 1028 CB TYR A 64 -6.192 -4.230 -6.623 1.00 0.00 C ATOM 1029 CG TYR A 64 -4.691 -4.292 -6.803 1.00 0.00 C ATOM 1030 CD1 TYR A 64 -4.080 -3.541 -7.795 1.00 0.00 C ATOM 1031 CD2 TYR A 64 -3.926 -5.099 -5.972 1.00 0.00 C ATOM 1032 CE1 TYR A 64 -2.709 -3.598 -7.959 1.00 0.00 C ATOM 1033 CE2 TYR A 64 -2.556 -5.155 -6.136 1.00 0.00 C ATOM 1034 CZ TYR A 64 -1.947 -4.409 -7.125 1.00 0.00 C ATOM 1035 OH TYR A 64 -0.582 -4.466 -7.287 1.00 0.00 O ATOM 0 H TYR A 64 -8.641 -4.530 -6.525 1.00 0.00 H new ATOM 0 HA TYR A 64 -6.821 -4.386 -8.669 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.500 -3.186 -6.574 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -6.453 -4.684 -5.667 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -4.675 -2.911 -8.440 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.402 -5.683 -5.198 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -2.231 -3.015 -8.732 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -1.960 -5.783 -5.490 1.00 0.00 H new ATOM 0 HH TYR A 64 -0.358 -4.313 -8.229 1.00 0.00 H new ATOM 1045 N ASP A 65 -6.774 -7.218 -6.968 1.00 0.00 N ATOM 1046 CA ASP A 65 -6.274 -8.587 -6.983 1.00 0.00 C ATOM 1047 C ASP A 65 -6.765 -9.339 -8.213 1.00 0.00 C ATOM 1048 O ASP A 65 -6.043 -10.158 -8.782 1.00 0.00 O ATOM 1049 CB ASP A 65 -6.705 -9.330 -5.717 1.00 0.00 C ATOM 1050 CG ASP A 65 -5.989 -8.837 -4.467 1.00 0.00 C ATOM 1051 OD1 ASP A 65 -4.990 -8.170 -4.603 1.00 0.00 O ATOM 1052 OD2 ASP A 65 -6.447 -9.130 -3.389 1.00 0.00 O ATOM 0 H ASP A 65 -7.367 -6.995 -6.169 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.186 -8.541 -7.018 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.781 -9.215 -5.583 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.512 -10.395 -5.844 1.00 0.00 H new ATOM 1057 N GLN A 66 -7.998 -9.058 -8.619 1.00 0.00 N ATOM 1058 CA GLN A 66 -8.637 -9.798 -9.700 1.00 0.00 C ATOM 1059 C GLN A 66 -8.286 -9.202 -11.059 1.00 0.00 C ATOM 1060 O GLN A 66 -8.054 -9.929 -12.024 1.00 0.00 O ATOM 1061 CB GLN A 66 -10.156 -9.816 -9.514 1.00 0.00 C ATOM 1062 CG GLN A 66 -10.628 -10.639 -8.328 1.00 0.00 C ATOM 1063 CD GLN A 66 -12.134 -10.591 -8.154 1.00 0.00 C ATOM 1064 OE1 GLN A 66 -12.886 -10.549 -9.131 1.00 0.00 O ATOM 1065 NE2 GLN A 66 -12.585 -10.597 -6.904 1.00 0.00 N ATOM 0 H GLN A 66 -8.576 -8.321 -8.215 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.263 -10.821 -9.668 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -10.508 -8.791 -9.394 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.617 -10.208 -10.421 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -10.313 -11.674 -8.459 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -10.148 -10.272 -7.421 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -11.928 -10.632 -6.125 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -13.588 -10.566 -6.724 1.00 0.00 H new ATOM 1074 N TYR A 67 -8.249 -7.876 -11.125 1.00 0.00 N ATOM 1075 CA TYR A 67 -8.212 -7.174 -12.402 1.00 0.00 C ATOM 1076 C TYR A 67 -6.929 -6.366 -12.549 1.00 0.00 C ATOM 1077 O TYR A 67 -6.273 -6.406 -13.590 1.00 0.00 O ATOM 1078 CB TYR A 67 -9.433 -6.263 -12.548 1.00 0.00 C ATOM 1079 CG TYR A 67 -10.754 -6.995 -12.464 1.00 0.00 C ATOM 1080 CD1 TYR A 67 -11.148 -7.836 -13.495 1.00 0.00 C ATOM 1081 CD2 TYR A 67 -11.571 -6.826 -11.357 1.00 0.00 C ATOM 1082 CE1 TYR A 67 -12.354 -8.505 -13.418 1.00 0.00 C ATOM 1083 CE2 TYR A 67 -12.777 -7.494 -11.280 1.00 0.00 C ATOM 1084 CZ TYR A 67 -13.169 -8.331 -12.304 1.00 0.00 C ATOM 1085 OH TYR A 67 -14.371 -8.997 -12.228 1.00 0.00 O ATOM 0 H TYR A 67 -8.244 -7.265 -10.308 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.234 -7.921 -13.195 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -9.401 -5.500 -11.770 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -9.376 -5.745 -13.505 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -10.512 -7.967 -14.358 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -11.264 -6.172 -10.554 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -12.663 -9.160 -14.219 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.414 -7.361 -10.418 1.00 0.00 H new ATOM 0 HH TYR A 67 -14.819 -8.768 -11.387 1.00 0.00 H new ATOM 1095 N GLY A 68 -6.577 -5.630 -11.500 1.00 0.00 N ATOM 1096 CA GLY A 68 -5.299 -4.928 -11.452 1.00 0.00 C ATOM 1097 C GLY A 68 -5.486 -3.469 -11.059 1.00 0.00 C ATOM 1098 O GLY A 68 -6.592 -3.043 -10.725 1.00 0.00 O ATOM 0 H GLY A 68 -7.159 -5.504 -10.672 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.639 -5.418 -10.737 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.813 -4.985 -12.426 1.00 0.00 H new ATOM 1102 N LEU A 69 -4.400 -2.705 -11.102 1.00 0.00 N ATOM 1103 CA LEU A 69 -4.406 -1.336 -10.603 1.00 0.00 C ATOM 1104 C LEU A 69 -5.335 -0.454 -11.427 1.00 0.00 C ATOM 1105 O LEU A 69 -6.106 0.335 -10.879 1.00 0.00 O ATOM 1106 CB LEU A 69 -2.986 -0.755 -10.628 1.00 0.00 C ATOM 1107 CG LEU A 69 -2.852 0.698 -10.157 1.00 0.00 C ATOM 1108 CD1 LEU A 69 -3.378 0.821 -8.734 1.00 0.00 C ATOM 1109 CD2 LEU A 69 -1.395 1.127 -10.242 1.00 0.00 C ATOM 0 H LEU A 69 -3.503 -3.012 -11.478 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.771 -1.357 -9.576 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.347 -1.380 -10.004 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.603 -0.824 -11.646 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.441 1.354 -10.798 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.283 1.854 -8.399 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.427 0.526 -8.707 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.801 0.171 -8.076 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.300 2.160 -9.907 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.788 0.482 -9.606 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.052 1.047 -11.273 1.00 0.00 H new ATOM 1121 N GLU A 70 -5.258 -0.591 -12.746 1.00 0.00 N ATOM 1122 CA GLU A 70 -6.052 0.233 -13.651 1.00 0.00 C ATOM 1123 C GLU A 70 -7.543 0.035 -13.405 1.00 0.00 C ATOM 1124 O GLU A 70 -8.330 0.973 -13.531 1.00 0.00 O ATOM 1125 CB GLU A 70 -5.718 -0.100 -15.106 1.00 0.00 C ATOM 1126 CG GLU A 70 -4.339 0.366 -15.556 1.00 0.00 C ATOM 1127 CD GLU A 70 -4.199 1.863 -15.555 1.00 0.00 C ATOM 1128 OE1 GLU A 70 -5.054 2.522 -16.095 1.00 0.00 O ATOM 1129 OE2 GLU A 70 -3.235 2.349 -15.011 1.00 0.00 O ATOM 0 H GLU A 70 -4.653 -1.266 -13.213 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.805 1.277 -13.457 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.787 -1.179 -15.244 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.470 0.353 -15.752 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.583 -0.065 -14.900 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.143 -0.012 -16.559 1.00 0.00 H new ATOM 1136 N ALA A 71 -7.925 -1.187 -13.054 1.00 0.00 N ATOM 1137 CA ALA A 71 -9.300 -1.480 -12.669 1.00 0.00 C ATOM 1138 C ALA A 71 -9.635 -0.868 -11.316 1.00 0.00 C ATOM 1139 O ALA A 71 -10.726 -0.332 -11.119 1.00 0.00 O ATOM 1140 CB ALA A 71 -9.535 -2.983 -12.644 1.00 0.00 C ATOM 0 H ALA A 71 -7.300 -1.993 -13.028 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.960 -1.034 -13.413 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.566 -3.185 -12.355 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.348 -3.397 -13.635 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.859 -3.445 -11.924 1.00 0.00 H new ATOM 1146 N ALA A 72 -8.694 -0.953 -10.383 1.00 0.00 N ATOM 1147 CA ALA A 72 -8.872 -0.376 -9.057 1.00 0.00 C ATOM 1148 C ALA A 72 -9.034 1.138 -9.132 1.00 0.00 C ATOM 1149 O ALA A 72 -9.823 1.725 -8.392 1.00 0.00 O ATOM 1150 CB ALA A 72 -7.700 -0.737 -8.158 1.00 0.00 C ATOM 0 H ALA A 72 -7.797 -1.418 -10.522 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.784 -0.793 -8.630 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.849 -0.298 -7.172 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.632 -1.821 -8.066 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.777 -0.351 -8.591 1.00 0.00 H new