USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=14 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 20:sc= 0.529 USER MOD Set 1.2: A 49 SER OG : rot 83:sc= 1.28 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 -122:sc= 1.31 USER MOD Set 3.2: A 16 SER OG : rot 180:sc= 1.04 USER MOD Single : A 3 LYS NZ :NH3+ -177:sc= 1.21 (180deg=1.2) 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 27:sc= 0.2 USER MOD Single : A 18 ASN : amide:sc= -0.379! C(o=-0.38!,f=-9.7!) USER MOD Single : A 20 GLN : amide:sc=-0.00437 K(o=-0.0044,f=-0.96) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 178:sc= 1.12 (180deg=1.11) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= 0.711 K(o=0.71,f=-6.5!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 69:sc= 1.2 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.003 X(o=-0.003,f=0) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 60 LYS NZ :NH3+ 150:sc= 0.00271 (180deg=0) USER MOD Single : A 64 TYR OH : rot -28:sc= -0.158 USER MOD Single : A 66 GLN : amide:sc= 0.705 K(o=0.7,f=-0.68) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N VAL A 2 -3.749 -13.490 -6.647 1.00 0.00 N ATOM 12 CA VAL A 2 -3.067 -12.202 -6.697 1.00 0.00 C ATOM 13 C VAL A 2 -2.271 -12.051 -7.987 1.00 0.00 C ATOM 14 O VAL A 2 -1.294 -12.764 -8.211 1.00 0.00 O ATOM 15 CB VAL A 2 -2.121 -12.050 -5.492 1.00 0.00 C ATOM 16 CG1 VAL A 2 -1.401 -10.712 -5.545 1.00 0.00 C ATOM 17 CG2 VAL A 2 -2.907 -12.188 -4.197 1.00 0.00 C ATOM 0 HA VAL A 2 -3.828 -11.423 -6.663 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.370 -12.839 -5.531 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.737 -10.622 -4.686 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.817 -10.649 -6.463 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.132 -9.904 -5.524 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.232 -12.079 -3.348 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.673 -11.414 -4.152 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.380 -13.169 -4.161 1.00 0.00 H new ATOM 27 N LYS A 3 -2.694 -11.117 -8.832 1.00 0.00 N ATOM 28 CA LYS A 3 -2.054 -10.906 -10.125 1.00 0.00 C ATOM 29 C LYS A 3 -0.969 -9.841 -10.034 1.00 0.00 C ATOM 30 O LYS A 3 0.203 -10.112 -10.296 1.00 0.00 O ATOM 31 CB LYS A 3 -3.090 -10.512 -11.178 1.00 0.00 C ATOM 32 CG LYS A 3 -4.047 -11.630 -11.569 1.00 0.00 C ATOM 33 CD LYS A 3 -5.072 -11.151 -12.585 1.00 0.00 C ATOM 34 CE LYS A 3 -6.047 -12.259 -12.955 1.00 0.00 C ATOM 35 NZ LYS A 3 -7.128 -11.773 -13.854 1.00 0.00 N ATOM 0 H LYS A 3 -3.479 -10.493 -8.644 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.587 -11.845 -10.423 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.670 -9.669 -10.802 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.569 -10.167 -12.071 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.483 -12.465 -11.984 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.558 -12.001 -10.681 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.621 -10.302 -12.178 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -4.561 -10.800 -13.481 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -5.506 -13.070 -13.444 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -6.488 -12.672 -12.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -7.798 -12.546 -14.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -7.629 -10.983 -13.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -6.714 -11.450 -14.752 1.00 0.00 H new ATOM 49 N GLU A 4 -1.365 -8.628 -9.662 1.00 0.00 N ATOM 50 CA GLU A 4 -0.422 -7.527 -9.506 1.00 0.00 C ATOM 51 C GLU A 4 0.011 -7.374 -8.055 1.00 0.00 C ATOM 52 O GLU A 4 -0.790 -7.551 -7.135 1.00 0.00 O ATOM 53 CB GLU A 4 -1.041 -6.222 -10.006 1.00 0.00 C ATOM 54 CG GLU A 4 -1.319 -6.190 -11.502 1.00 0.00 C ATOM 55 CD GLU A 4 -1.861 -4.866 -11.968 1.00 0.00 C ATOM 56 OE1 GLU A 4 -2.051 -4.000 -11.148 1.00 0.00 O ATOM 57 OE2 GLU A 4 -2.083 -4.720 -13.148 1.00 0.00 O ATOM 0 H GLU A 4 -2.335 -8.383 -9.463 1.00 0.00 H new ATOM 0 HA GLU A 4 0.461 -7.756 -10.103 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.975 -6.049 -9.472 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.373 -5.398 -9.755 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.398 -6.411 -12.042 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.031 -6.977 -11.751 1.00 0.00 H new ATOM 64 N THR A 5 1.282 -7.042 -7.852 1.00 0.00 N ATOM 65 CA THR A 5 1.828 -6.883 -6.511 1.00 0.00 C ATOM 66 C THR A 5 2.446 -5.502 -6.327 1.00 0.00 C ATOM 67 O THR A 5 3.124 -5.243 -5.335 1.00 0.00 O ATOM 68 CB THR A 5 2.883 -7.965 -6.211 1.00 0.00 C ATOM 69 OG1 THR A 5 3.949 -7.873 -7.164 1.00 0.00 O ATOM 70 CG2 THR A 5 2.261 -9.351 -6.282 1.00 0.00 C ATOM 0 H THR A 5 1.954 -6.878 -8.602 1.00 0.00 H new ATOM 0 HA THR A 5 1.000 -6.993 -5.811 1.00 0.00 H new ATOM 0 HB THR A 5 3.271 -7.804 -5.205 1.00 0.00 H new ATOM 0 HG1 THR A 5 4.620 -8.560 -6.971 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.021 -10.102 -6.067 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.458 -9.427 -5.549 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.858 -9.518 -7.281 1.00 0.00 H new ATOM 78 N LYS A 6 2.204 -4.620 -7.289 1.00 0.00 N ATOM 79 CA LYS A 6 2.803 -3.291 -7.280 1.00 0.00 C ATOM 80 C LYS A 6 2.509 -2.564 -5.973 1.00 0.00 C ATOM 81 O LYS A 6 3.417 -2.060 -5.313 1.00 0.00 O ATOM 82 CB LYS A 6 2.300 -2.465 -8.464 1.00 0.00 C ATOM 83 CG LYS A 6 2.874 -1.058 -8.539 1.00 0.00 C ATOM 84 CD LYS A 6 2.356 -0.313 -9.762 1.00 0.00 C ATOM 85 CE LYS A 6 2.893 1.109 -9.814 1.00 0.00 C ATOM 86 NZ LYS A 6 2.424 1.837 -11.024 1.00 0.00 N ATOM 0 H LYS A 6 1.596 -4.802 -8.087 1.00 0.00 H new ATOM 0 HA LYS A 6 3.882 -3.413 -7.369 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.541 -2.992 -9.387 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.213 -2.398 -8.409 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.610 -0.507 -7.636 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.962 -1.108 -8.575 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.648 -0.847 -10.666 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.266 -0.292 -9.742 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.578 1.649 -8.921 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.983 1.086 -9.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.812 2.802 -11.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.746 1.337 -11.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.385 1.882 -11.021 1.00 0.00 H new ATOM 100 N LEU A 7 1.234 -2.514 -5.603 1.00 0.00 N ATOM 101 CA LEU A 7 0.808 -1.790 -4.413 1.00 0.00 C ATOM 102 C LEU A 7 1.343 -2.446 -3.146 1.00 0.00 C ATOM 103 O LEU A 7 1.660 -1.767 -2.170 1.00 0.00 O ATOM 104 CB LEU A 7 -0.724 -1.721 -4.353 1.00 0.00 C ATOM 105 CG LEU A 7 -1.399 -0.934 -5.483 1.00 0.00 C ATOM 106 CD1 LEU A 7 -2.909 -0.960 -5.288 1.00 0.00 C ATOM 107 CD2 LEU A 7 -0.873 0.494 -5.491 1.00 0.00 C ATOM 0 H LEU A 7 0.476 -2.968 -6.113 1.00 0.00 H new ATOM 0 HA LEU A 7 1.214 -0.780 -4.474 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.116 -2.738 -4.359 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.012 -1.274 -3.401 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.169 -1.391 -6.445 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.389 -0.401 -6.091 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.260 -1.992 -5.304 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.160 -0.506 -4.329 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.352 1.054 -6.294 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.095 0.969 -4.535 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.205 0.484 -5.650 1.00 0.00 H new ATOM 119 N TYR A 8 1.442 -3.770 -3.170 1.00 0.00 N ATOM 120 CA TYR A 8 1.959 -4.520 -2.031 1.00 0.00 C ATOM 121 C TYR A 8 3.453 -4.284 -1.848 1.00 0.00 C ATOM 122 O TYR A 8 3.947 -4.219 -0.722 1.00 0.00 O ATOM 123 CB TYR A 8 1.675 -6.014 -2.200 1.00 0.00 C ATOM 124 CG TYR A 8 0.208 -6.371 -2.106 1.00 0.00 C ATOM 125 CD1 TYR A 8 -0.509 -6.669 -3.256 1.00 0.00 C ATOM 126 CD2 TYR A 8 -0.420 -6.402 -0.870 1.00 0.00 C ATOM 127 CE1 TYR A 8 -1.849 -6.995 -3.170 1.00 0.00 C ATOM 128 CE2 TYR A 8 -1.760 -6.728 -0.783 1.00 0.00 C ATOM 129 CZ TYR A 8 -2.472 -7.024 -1.927 1.00 0.00 C ATOM 130 OH TYR A 8 -3.807 -7.349 -1.842 1.00 0.00 O ATOM 0 H TYR A 8 1.171 -4.347 -3.966 1.00 0.00 H new ATOM 0 HA TYR A 8 1.448 -4.164 -1.137 1.00 0.00 H new ATOM 0 HB2 TYR A 8 2.057 -6.340 -3.167 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.224 -6.567 -1.438 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -0.020 -6.646 -4.218 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.139 -6.171 0.025 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.410 -7.226 -4.064 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -2.249 -6.751 0.179 1.00 0.00 H new ATOM 0 HH TYR A 8 -4.053 -7.921 -2.599 1.00 0.00 H new ATOM 140 N ASP A 9 4.168 -4.157 -2.960 1.00 0.00 N ATOM 141 CA ASP A 9 5.603 -3.903 -2.924 1.00 0.00 C ATOM 142 C ASP A 9 5.899 -2.494 -2.428 1.00 0.00 C ATOM 143 O ASP A 9 6.879 -2.268 -1.718 1.00 0.00 O ATOM 144 CB ASP A 9 6.218 -4.102 -4.311 1.00 0.00 C ATOM 145 CG ASP A 9 6.275 -5.566 -4.730 1.00 0.00 C ATOM 146 OD1 ASP A 9 6.154 -6.412 -3.875 1.00 0.00 O ATOM 147 OD2 ASP A 9 6.437 -5.823 -5.897 1.00 0.00 O ATOM 0 H ASP A 9 3.776 -4.226 -3.899 1.00 0.00 H new ATOM 0 HA ASP A 9 6.048 -4.615 -2.229 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.637 -3.542 -5.044 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.226 -3.688 -4.319 1.00 0.00 H new ATOM 152 N LEU A 10 5.048 -1.547 -2.806 1.00 0.00 N ATOM 153 CA LEU A 10 5.170 -0.172 -2.335 1.00 0.00 C ATOM 154 C LEU A 10 4.967 -0.088 -0.827 1.00 0.00 C ATOM 155 O LEU A 10 5.651 0.670 -0.140 1.00 0.00 O ATOM 156 CB LEU A 10 4.151 0.726 -3.044 1.00 0.00 C ATOM 157 CG LEU A 10 4.425 0.997 -4.530 1.00 0.00 C ATOM 158 CD1 LEU A 10 3.234 1.724 -5.142 1.00 0.00 C ATOM 159 CD2 LEU A 10 5.696 1.820 -4.669 1.00 0.00 C ATOM 0 H LEU A 10 4.264 -1.707 -3.439 1.00 0.00 H new ATOM 0 HA LEU A 10 6.178 0.172 -2.568 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.166 0.269 -2.952 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.110 1.681 -2.521 1.00 0.00 H new ATOM 0 HG LEU A 10 4.564 0.055 -5.061 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.428 1.917 -6.197 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.341 1.106 -5.044 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.079 2.670 -4.623 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.891 2.013 -5.724 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.575 2.767 -4.143 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.534 1.271 -4.240 1.00 0.00 H new ATOM 171 N LEU A 11 4.022 -0.871 -0.318 1.00 0.00 N ATOM 172 CA LEU A 11 3.776 -0.939 1.118 1.00 0.00 C ATOM 173 C LEU A 11 4.829 -1.790 1.816 1.00 0.00 C ATOM 174 O LEU A 11 5.161 -1.553 2.978 1.00 0.00 O ATOM 175 CB LEU A 11 2.380 -1.518 1.388 1.00 0.00 C ATOM 176 CG LEU A 11 1.201 -0.656 0.923 1.00 0.00 C ATOM 177 CD1 LEU A 11 -0.107 -1.373 1.232 1.00 0.00 C ATOM 178 CD2 LEU A 11 1.258 0.700 1.614 1.00 0.00 C ATOM 0 H LEU A 11 3.414 -1.468 -0.879 1.00 0.00 H new ATOM 0 HA LEU A 11 3.832 0.074 1.517 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.310 -2.490 0.900 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.280 -1.691 2.460 1.00 0.00 H new ATOM 0 HG LEU A 11 1.259 -0.496 -0.154 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.945 -0.760 0.901 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.129 -2.330 0.710 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.184 -1.543 2.306 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.419 1.313 1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.202 0.561 2.694 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.194 1.198 1.361 1.00 0.00 H new ATOM 190 N GLY A 12 5.351 -2.781 1.103 1.00 0.00 N ATOM 191 CA GLY A 12 6.361 -3.675 1.657 1.00 0.00 C ATOM 192 C GLY A 12 5.724 -4.763 2.511 1.00 0.00 C ATOM 193 O GLY A 12 6.225 -5.095 3.587 1.00 0.00 O ATOM 0 H GLY A 12 5.091 -2.986 0.138 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.930 -4.131 0.847 1.00 0.00 H new ATOM 0 HA3 GLY A 12 7.066 -3.102 2.259 1.00 0.00 H new ATOM 197 N VAL A 13 4.617 -5.316 2.028 1.00 0.00 N ATOM 198 CA VAL A 13 3.861 -6.306 2.786 1.00 0.00 C ATOM 199 C VAL A 13 3.287 -7.380 1.870 1.00 0.00 C ATOM 200 O VAL A 13 2.831 -7.088 0.766 1.00 0.00 O ATOM 201 CB VAL A 13 2.713 -5.626 3.557 1.00 0.00 C ATOM 202 CG1 VAL A 13 1.755 -4.943 2.594 1.00 0.00 C ATOM 203 CG2 VAL A 13 1.983 -6.655 4.407 1.00 0.00 C ATOM 0 H VAL A 13 4.223 -5.095 1.114 1.00 0.00 H new ATOM 0 HA VAL A 13 4.546 -6.778 3.491 1.00 0.00 H new ATOM 0 HB VAL A 13 3.130 -4.862 4.214 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.951 -4.468 3.156 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.292 -4.187 2.021 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.334 -5.683 1.913 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.172 -6.169 4.950 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.573 -7.434 3.764 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.680 -7.100 5.117 1.00 0.00 H new ATOM 213 N SER A 14 3.314 -8.624 2.336 1.00 0.00 N ATOM 214 CA SER A 14 2.811 -9.747 1.554 1.00 0.00 C ATOM 215 C SER A 14 1.312 -9.621 1.314 1.00 0.00 C ATOM 216 O SER A 14 0.568 -9.176 2.187 1.00 0.00 O ATOM 217 CB SER A 14 3.111 -11.052 2.262 1.00 0.00 C ATOM 218 OG SER A 14 2.516 -12.132 1.597 1.00 0.00 O ATOM 0 H SER A 14 3.680 -8.880 3.253 1.00 0.00 H new ATOM 0 HA SER A 14 3.315 -9.737 0.587 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.189 -11.202 2.314 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.745 -11.006 3.288 1.00 0.00 H new ATOM 0 HG SER A 14 1.914 -12.603 2.211 1.00 0.00 H new ATOM 224 N PRO A 15 0.874 -10.018 0.124 1.00 0.00 N ATOM 225 CA PRO A 15 -0.540 -9.967 -0.229 1.00 0.00 C ATOM 226 C PRO A 15 -1.326 -11.052 0.495 1.00 0.00 C ATOM 227 O PRO A 15 -2.558 -11.061 0.471 1.00 0.00 O ATOM 228 CB PRO A 15 -0.527 -10.194 -1.743 1.00 0.00 C ATOM 229 CG PRO A 15 0.688 -11.024 -1.978 1.00 0.00 C ATOM 230 CD PRO A 15 1.703 -10.485 -1.005 1.00 0.00 C ATOM 0 HA PRO A 15 -1.022 -9.032 0.054 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.430 -10.706 -2.077 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -0.476 -9.251 -2.287 1.00 0.00 H new ATOM 0 HG2 PRO A 15 0.488 -12.081 -1.799 1.00 0.00 H new ATOM 0 HG3 PRO A 15 1.037 -10.935 -3.007 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.410 -11.254 -0.694 1.00 0.00 H new ATOM 0 HD3 PRO A 15 2.286 -9.673 -1.440 1.00 0.00 H new ATOM 238 N SER A 16 -0.609 -11.967 1.139 1.00 0.00 N ATOM 239 CA SER A 16 -1.234 -12.968 1.994 1.00 0.00 C ATOM 240 C SER A 16 -1.762 -12.345 3.279 1.00 0.00 C ATOM 241 O SER A 16 -2.577 -12.943 3.983 1.00 0.00 O ATOM 242 CB SER A 16 -0.241 -14.066 2.324 1.00 0.00 C ATOM 243 OG SER A 16 0.793 -13.579 3.135 1.00 0.00 O ATOM 0 H SER A 16 0.407 -12.035 1.084 1.00 0.00 H new ATOM 0 HA SER A 16 -2.077 -13.394 1.450 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.753 -14.884 2.832 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.175 -14.474 1.403 1.00 0.00 H new ATOM 0 HG SER A 16 1.420 -14.305 3.336 1.00 0.00 H new ATOM 249 N ALA A 17 -1.293 -11.138 3.581 1.00 0.00 N ATOM 250 CA ALA A 17 -1.740 -10.417 4.768 1.00 0.00 C ATOM 251 C ALA A 17 -3.149 -9.870 4.579 1.00 0.00 C ATOM 252 O ALA A 17 -3.547 -9.521 3.469 1.00 0.00 O ATOM 253 CB ALA A 17 -0.774 -9.288 5.097 1.00 0.00 C ATOM 0 H ALA A 17 -0.603 -10.639 3.020 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.759 -11.118 5.602 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.121 -8.759 5.985 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.217 -9.700 5.284 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.726 -8.594 4.258 1.00 0.00 H new ATOM 259 N ASN A 18 -3.901 -9.798 5.673 1.00 0.00 N ATOM 260 CA ASN A 18 -5.255 -9.259 5.638 1.00 0.00 C ATOM 261 C ASN A 18 -5.246 -7.740 5.763 1.00 0.00 C ATOM 262 O ASN A 18 -4.197 -7.131 5.972 1.00 0.00 O ATOM 263 CB ASN A 18 -6.106 -9.880 6.729 1.00 0.00 C ATOM 264 CG ASN A 18 -5.648 -9.494 8.109 1.00 0.00 C ATOM 265 OD1 ASN A 18 -4.961 -8.482 8.289 1.00 0.00 O ATOM 266 ND2 ASN A 18 -6.013 -10.282 9.088 1.00 0.00 N ATOM 0 H ASN A 18 -3.595 -10.107 6.596 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.692 -9.513 4.672 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.143 -9.573 6.595 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.080 -10.965 6.632 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.730 -10.071 10.045 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.580 -11.107 8.894 1.00 0.00 H new ATOM 273 N GLU A 19 -6.421 -7.135 5.632 1.00 0.00 N ATOM 274 CA GLU A 19 -6.529 -5.683 5.536 1.00 0.00 C ATOM 275 C GLU A 19 -5.967 -5.006 6.780 1.00 0.00 C ATOM 276 O GLU A 19 -5.432 -3.899 6.706 1.00 0.00 O ATOM 277 CB GLU A 19 -7.987 -5.268 5.333 1.00 0.00 C ATOM 278 CG GLU A 19 -8.589 -5.715 4.007 1.00 0.00 C ATOM 279 CD GLU A 19 -9.077 -7.137 4.035 1.00 0.00 C ATOM 280 OE1 GLU A 19 -8.954 -7.767 5.059 1.00 0.00 O ATOM 281 OE2 GLU A 19 -9.573 -7.594 3.032 1.00 0.00 O ATOM 0 H GLU A 19 -7.313 -7.627 5.590 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.943 -5.362 4.675 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.586 -5.678 6.147 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.056 -4.182 5.402 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.419 -5.057 3.750 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.842 -5.608 3.220 1.00 0.00 H new ATOM 288 N GLN A 20 -6.093 -5.676 7.920 1.00 0.00 N ATOM 289 CA GLN A 20 -5.587 -5.144 9.179 1.00 0.00 C ATOM 290 C GLN A 20 -4.065 -5.114 9.193 1.00 0.00 C ATOM 291 O GLN A 20 -3.458 -4.141 9.641 1.00 0.00 O ATOM 292 CB GLN A 20 -6.104 -5.975 10.358 1.00 0.00 C ATOM 293 CG GLN A 20 -7.597 -5.841 10.606 1.00 0.00 C ATOM 294 CD GLN A 20 -8.084 -6.756 11.713 1.00 0.00 C ATOM 295 OE1 GLN A 20 -7.478 -7.794 11.992 1.00 0.00 O ATOM 296 NE2 GLN A 20 -9.185 -6.376 12.352 1.00 0.00 N ATOM 0 H GLN A 20 -6.541 -6.589 7.998 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.950 -4.121 9.277 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.869 -7.024 10.179 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.569 -5.678 11.260 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -7.828 -4.808 10.865 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -8.137 -6.068 9.687 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -9.654 -5.510 12.088 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -9.561 -6.951 13.106 1.00 0.00 H new ATOM 305 N GLU A 21 -3.454 -6.185 8.700 1.00 0.00 N ATOM 306 CA GLU A 21 -1.998 -6.269 8.621 1.00 0.00 C ATOM 307 C GLU A 21 -1.459 -5.395 7.497 1.00 0.00 C ATOM 308 O GLU A 21 -0.343 -4.880 7.578 1.00 0.00 O ATOM 309 CB GLU A 21 -1.557 -7.719 8.411 1.00 0.00 C ATOM 310 CG GLU A 21 -1.806 -8.630 9.604 1.00 0.00 C ATOM 311 CD GLU A 21 -1.039 -8.212 10.828 1.00 0.00 C ATOM 312 OE1 GLU A 21 0.139 -7.977 10.716 1.00 0.00 O ATOM 313 OE2 GLU A 21 -1.634 -8.128 11.878 1.00 0.00 O ATOM 0 H GLU A 21 -3.943 -7.008 8.349 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.591 -5.906 9.565 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.081 -8.124 7.545 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.493 -7.732 8.175 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.872 -8.637 9.834 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.530 -9.651 9.339 1.00 0.00 H new ATOM 320 N LEU A 22 -2.256 -5.232 6.445 1.00 0.00 N ATOM 321 CA LEU A 22 -1.903 -4.339 5.347 1.00 0.00 C ATOM 322 C LEU A 22 -1.885 -2.887 5.804 1.00 0.00 C ATOM 323 O LEU A 22 -1.063 -2.091 5.347 1.00 0.00 O ATOM 324 CB LEU A 22 -2.895 -4.505 4.190 1.00 0.00 C ATOM 325 CG LEU A 22 -2.841 -5.850 3.454 1.00 0.00 C ATOM 326 CD1 LEU A 22 -3.973 -5.922 2.440 1.00 0.00 C ATOM 327 CD2 LEU A 22 -1.488 -6.003 2.776 1.00 0.00 C ATOM 0 H LEU A 22 -3.151 -5.707 6.330 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.902 -4.605 5.007 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.904 -4.364 4.578 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.718 -3.709 3.467 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.965 -6.668 4.164 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.933 -6.878 1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.929 -5.829 2.955 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.868 -5.111 1.720 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.449 -6.959 2.253 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.345 -5.192 2.062 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.699 -5.968 3.527 1.00 0.00 H new ATOM 339 N LYS A 23 -2.796 -2.545 6.709 1.00 0.00 N ATOM 340 CA LYS A 23 -2.775 -1.242 7.365 1.00 0.00 C ATOM 341 C LYS A 23 -1.464 -1.023 8.110 1.00 0.00 C ATOM 342 O LYS A 23 -0.858 0.043 8.020 1.00 0.00 O ATOM 343 CB LYS A 23 -3.955 -1.106 8.327 1.00 0.00 C ATOM 344 CG LYS A 23 -4.004 0.216 9.082 1.00 0.00 C ATOM 345 CD LYS A 23 -5.245 0.307 9.956 1.00 0.00 C ATOM 346 CE LYS A 23 -5.280 1.615 10.734 1.00 0.00 C ATOM 347 NZ LYS A 23 -6.485 1.715 11.600 1.00 0.00 N ATOM 0 H LYS A 23 -3.559 -3.153 7.005 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.861 -0.478 6.592 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.881 -1.224 7.765 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.915 -1.921 9.049 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.112 0.317 9.701 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.995 1.043 8.372 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.137 0.227 9.334 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.265 -0.532 10.651 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.384 1.695 11.349 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.264 2.452 10.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.470 2.620 12.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.341 1.664 11.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.488 0.931 12.283 1.00 0.00 H new ATOM 361 N LYS A 24 -1.033 -2.041 8.849 1.00 0.00 N ATOM 362 CA LYS A 24 0.246 -1.992 9.547 1.00 0.00 C ATOM 363 C LYS A 24 1.398 -1.778 8.571 1.00 0.00 C ATOM 364 O LYS A 24 2.336 -1.035 8.858 1.00 0.00 O ATOM 365 CB LYS A 24 0.468 -3.276 10.348 1.00 0.00 C ATOM 366 CG LYS A 24 -0.465 -3.440 11.541 1.00 0.00 C ATOM 367 CD LYS A 24 -0.233 -4.769 12.243 1.00 0.00 C ATOM 368 CE LYS A 24 -1.233 -4.982 13.371 1.00 0.00 C ATOM 369 NZ LYS A 24 -1.084 -6.322 14.003 1.00 0.00 N ATOM 0 H LYS A 24 -1.551 -2.910 8.979 1.00 0.00 H new ATOM 0 HA LYS A 24 0.219 -1.146 10.234 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.343 -4.131 9.684 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.499 -3.296 10.702 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.307 -2.622 12.244 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.501 -3.378 11.207 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.316 -5.583 11.522 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.781 -4.799 12.643 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.098 -4.208 14.126 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.246 -4.875 12.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.761 -6.413 14.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.272 -7.062 13.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.116 -6.428 14.367 1.00 0.00 H new ATOM 383 N GLY A 25 1.322 -2.436 7.420 1.00 0.00 N ATOM 384 CA GLY A 25 2.307 -2.248 6.362 1.00 0.00 C ATOM 385 C GLY A 25 2.354 -0.795 5.905 1.00 0.00 C ATOM 386 O GLY A 25 3.429 -0.227 5.719 1.00 0.00 O ATOM 0 H GLY A 25 0.586 -3.106 7.196 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.291 -2.552 6.719 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.063 -2.890 5.516 1.00 0.00 H new ATOM 390 N TYR A 26 1.180 -0.198 5.727 1.00 0.00 N ATOM 391 CA TYR A 26 1.085 1.208 5.350 1.00 0.00 C ATOM 392 C TYR A 26 1.738 2.103 6.396 1.00 0.00 C ATOM 393 O TYR A 26 2.503 3.006 6.062 1.00 0.00 O ATOM 394 CB TYR A 26 -0.378 1.609 5.145 1.00 0.00 C ATOM 395 CG TYR A 26 -0.580 3.094 4.944 1.00 0.00 C ATOM 396 CD1 TYR A 26 -0.011 3.729 3.850 1.00 0.00 C ATOM 397 CD2 TYR A 26 -1.334 3.820 5.854 1.00 0.00 C ATOM 398 CE1 TYR A 26 -0.198 5.086 3.667 1.00 0.00 C ATOM 399 CE2 TYR A 26 -1.520 5.176 5.670 1.00 0.00 C ATOM 400 CZ TYR A 26 -0.955 5.809 4.581 1.00 0.00 C ATOM 401 OH TYR A 26 -1.139 7.160 4.399 1.00 0.00 O ATOM 0 H TYR A 26 0.281 -0.666 5.838 1.00 0.00 H new ATOM 0 HA TYR A 26 1.621 1.341 4.410 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.773 1.077 4.279 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.958 1.286 6.009 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.577 3.164 3.142 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.776 3.325 6.706 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.243 5.583 2.816 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.108 5.741 6.378 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.968 7.390 3.462 1.00 0.00 H new ATOM 411 N ARG A 27 1.430 1.846 7.663 1.00 0.00 N ATOM 412 CA ARG A 27 1.990 2.625 8.761 1.00 0.00 C ATOM 413 C ARG A 27 3.513 2.603 8.729 1.00 0.00 C ATOM 414 O ARG A 27 4.163 3.626 8.944 1.00 0.00 O ATOM 415 CB ARG A 27 1.505 2.089 10.099 1.00 0.00 C ATOM 416 CG ARG A 27 0.030 2.321 10.385 1.00 0.00 C ATOM 417 CD ARG A 27 -0.386 1.693 11.665 1.00 0.00 C ATOM 418 NE ARG A 27 0.235 2.337 12.812 1.00 0.00 N ATOM 419 CZ ARG A 27 0.225 1.842 14.064 1.00 0.00 C ATOM 420 NH1 ARG A 27 -0.377 0.700 14.315 1.00 0.00 N ATOM 421 NH2 ARG A 27 0.820 2.503 15.041 1.00 0.00 N ATOM 0 H ARG A 27 0.795 1.103 7.955 1.00 0.00 H new ATOM 0 HA ARG A 27 1.651 3.654 8.640 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.704 1.018 10.138 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.091 2.551 10.893 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.169 3.392 10.423 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.567 1.914 9.569 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.470 1.748 11.761 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.120 0.636 11.654 1.00 0.00 H new ATOM 0 HE ARG A 27 0.711 3.226 12.657 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.836 0.189 13.561 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.384 0.325 15.264 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.287 3.389 14.847 1.00 0.00 H new ATOM 0 HH22 ARG A 27 0.812 2.128 15.989 1.00 0.00 H new ATOM 435 N LYS A 28 4.078 1.430 8.460 1.00 0.00 N ATOM 436 CA LYS A 28 5.524 1.285 8.343 1.00 0.00 C ATOM 437 C LYS A 28 6.053 2.016 7.116 1.00 0.00 C ATOM 438 O LYS A 28 7.075 2.699 7.183 1.00 0.00 O ATOM 439 CB LYS A 28 5.910 -0.194 8.281 1.00 0.00 C ATOM 440 CG LYS A 28 5.705 -0.953 9.587 1.00 0.00 C ATOM 441 CD LYS A 28 6.073 -2.420 9.436 1.00 0.00 C ATOM 442 CE LYS A 28 5.849 -3.185 10.733 1.00 0.00 C ATOM 443 NZ LYS A 28 6.179 -4.629 10.592 1.00 0.00 N ATOM 0 H LYS A 28 3.555 0.566 8.319 1.00 0.00 H new ATOM 0 HA LYS A 28 5.977 1.732 9.228 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.325 -0.677 7.498 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.958 -0.272 7.990 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.313 -0.502 10.372 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.665 -0.867 9.901 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.476 -2.866 8.641 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.118 -2.506 9.137 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.461 -2.748 11.522 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.809 -3.079 11.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.013 -5.113 11.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.577 -5.053 9.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.178 -4.732 10.323 1.00 0.00 H new ATOM 457 N ALA A 29 5.353 1.866 5.998 1.00 0.00 N ATOM 458 CA ALA A 29 5.744 2.523 4.755 1.00 0.00 C ATOM 459 C ALA A 29 5.647 4.039 4.880 1.00 0.00 C ATOM 460 O ALA A 29 6.475 4.770 4.337 1.00 0.00 O ATOM 461 CB ALA A 29 4.882 2.032 3.602 1.00 0.00 C ATOM 0 H ALA A 29 4.511 1.295 5.926 1.00 0.00 H new ATOM 0 HA ALA A 29 6.784 2.267 4.552 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.186 2.531 2.682 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.006 0.955 3.488 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.836 2.257 3.808 1.00 0.00 H new ATOM 467 N ALA A 30 4.630 4.505 5.598 1.00 0.00 N ATOM 468 CA ALA A 30 4.438 5.933 5.815 1.00 0.00 C ATOM 469 C ALA A 30 5.614 6.540 6.568 1.00 0.00 C ATOM 470 O ALA A 30 6.062 7.644 6.255 1.00 0.00 O ATOM 471 CB ALA A 30 3.140 6.183 6.571 1.00 0.00 C ATOM 0 H ALA A 30 3.926 3.913 6.039 1.00 0.00 H new ATOM 0 HA ALA A 30 4.378 6.416 4.840 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.010 7.254 6.726 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.301 5.795 5.992 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.178 5.679 7.537 1.00 0.00 H new ATOM 477 N LEU A 31 6.111 5.814 7.563 1.00 0.00 N ATOM 478 CA LEU A 31 7.316 6.218 8.279 1.00 0.00 C ATOM 479 C LEU A 31 8.545 6.129 7.382 1.00 0.00 C ATOM 480 O LEU A 31 9.411 7.004 7.414 1.00 0.00 O ATOM 481 CB LEU A 31 7.516 5.336 9.518 1.00 0.00 C ATOM 482 CG LEU A 31 6.489 5.526 10.642 1.00 0.00 C ATOM 483 CD1 LEU A 31 6.705 4.465 11.713 1.00 0.00 C ATOM 484 CD2 LEU A 31 6.625 6.926 11.224 1.00 0.00 C ATOM 0 H LEU A 31 5.698 4.942 7.893 1.00 0.00 H new ATOM 0 HA LEU A 31 7.190 7.255 8.589 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.496 4.292 9.205 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.510 5.529 9.922 1.00 0.00 H new ATOM 0 HG LEU A 31 5.479 5.415 10.246 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.975 4.600 12.511 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.583 3.475 11.274 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.711 4.560 12.121 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.895 7.061 12.022 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.630 7.057 11.625 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.447 7.664 10.442 1.00 0.00 H new ATOM 496 N LYS A 32 8.615 5.070 6.584 1.00 0.00 N ATOM 497 CA LYS A 32 9.738 4.868 5.676 1.00 0.00 C ATOM 498 C LYS A 32 9.891 6.042 4.718 1.00 0.00 C ATOM 499 O LYS A 32 10.999 6.526 4.487 1.00 0.00 O ATOM 500 CB LYS A 32 9.563 3.567 4.891 1.00 0.00 C ATOM 501 CG LYS A 32 10.704 3.253 3.932 1.00 0.00 C ATOM 502 CD LYS A 32 10.493 1.914 3.242 1.00 0.00 C ATOM 503 CE LYS A 32 11.625 1.606 2.272 1.00 0.00 C ATOM 504 NZ LYS A 32 11.444 0.288 1.606 1.00 0.00 N ATOM 0 H LYS A 32 7.907 4.337 6.547 1.00 0.00 H new ATOM 0 HA LYS A 32 10.645 4.800 6.277 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.460 2.742 5.596 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.633 3.621 4.325 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.781 4.042 3.184 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.647 3.239 4.478 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.427 1.124 3.990 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.544 1.925 2.705 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.679 2.390 1.516 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.574 1.614 2.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.236 0.117 0.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.418 -0.463 2.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.551 0.288 1.073 1.00 0.00 H new ATOM 518 N TYR A 33 8.773 6.497 4.164 1.00 0.00 N ATOM 519 CA TYR A 33 8.786 7.572 3.178 1.00 0.00 C ATOM 520 C TYR A 33 8.276 8.876 3.779 1.00 0.00 C ATOM 521 O TYR A 33 7.816 9.762 3.058 1.00 0.00 O ATOM 522 CB TYR A 33 7.954 7.186 1.955 1.00 0.00 C ATOM 523 CG TYR A 33 8.411 5.913 1.280 1.00 0.00 C ATOM 524 CD1 TYR A 33 7.578 4.805 1.249 1.00 0.00 C ATOM 525 CD2 TYR A 33 9.665 5.854 0.691 1.00 0.00 C ATOM 526 CE1 TYR A 33 7.997 3.641 0.632 1.00 0.00 C ATOM 527 CE2 TYR A 33 10.085 4.691 0.074 1.00 0.00 C ATOM 528 CZ TYR A 33 9.255 3.589 0.043 1.00 0.00 C ATOM 529 OH TYR A 33 9.673 2.430 -0.571 1.00 0.00 O ATOM 0 H TYR A 33 7.844 6.137 4.381 1.00 0.00 H new ATOM 0 HA TYR A 33 9.818 7.727 2.864 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.913 7.072 2.257 1.00 0.00 H new ATOM 0 HB3 TYR A 33 7.988 8.001 1.232 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.601 4.851 1.707 1.00 0.00 H new ATOM 0 HD2 TYR A 33 10.314 6.717 0.714 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.350 2.776 0.608 1.00 0.00 H new ATOM 0 HE2 TYR A 33 11.062 4.645 -0.384 1.00 0.00 H new ATOM 0 HH TYR A 33 10.574 2.559 -0.933 1.00 0.00 H new ATOM 539 N HIS A 34 8.357 8.985 5.100 1.00 0.00 N ATOM 540 CA HIS A 34 7.854 10.159 5.803 1.00 0.00 C ATOM 541 C HIS A 34 8.656 11.403 5.441 1.00 0.00 C ATOM 542 O HIS A 34 9.887 11.377 5.426 1.00 0.00 O ATOM 543 CB HIS A 34 7.895 9.942 7.319 1.00 0.00 C ATOM 544 CG HIS A 34 7.050 10.908 8.089 1.00 0.00 C ATOM 545 ND1 HIS A 34 7.412 12.224 8.278 1.00 0.00 N ATOM 546 CD2 HIS A 34 5.862 10.749 8.719 1.00 0.00 C ATOM 547 CE1 HIS A 34 6.482 12.835 8.990 1.00 0.00 C ATOM 548 NE2 HIS A 34 5.531 11.961 9.270 1.00 0.00 N ATOM 0 H HIS A 34 8.767 8.274 5.706 1.00 0.00 H new ATOM 0 HA HIS A 34 6.820 10.309 5.492 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.565 8.927 7.541 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.927 10.023 7.661 1.00 0.00 H new ATOM 0 HD2 HIS A 34 5.284 9.839 8.777 1.00 0.00 H new ATOM 0 HE1 HIS A 34 6.496 13.872 9.292 1.00 0.00 H new ATOM 0 HE2 HIS A 34 4.687 12.156 9.809 1.00 0.00 H new ATOM 556 N PRO A 35 7.951 12.492 5.151 1.00 0.00 N ATOM 557 CA PRO A 35 8.590 13.715 4.679 1.00 0.00 C ATOM 558 C PRO A 35 9.688 14.166 5.634 1.00 0.00 C ATOM 559 O PRO A 35 10.698 14.729 5.211 1.00 0.00 O ATOM 560 CB PRO A 35 7.430 14.715 4.638 1.00 0.00 C ATOM 561 CG PRO A 35 6.239 13.880 4.312 1.00 0.00 C ATOM 562 CD PRO A 35 6.458 12.601 5.076 1.00 0.00 C ATOM 0 HA PRO A 35 9.085 13.600 3.715 1.00 0.00 H new ATOM 0 HB2 PRO A 35 7.310 15.225 5.594 1.00 0.00 H new ATOM 0 HB3 PRO A 35 7.595 15.485 3.885 1.00 0.00 H new ATOM 0 HG2 PRO A 35 5.314 14.371 4.616 1.00 0.00 H new ATOM 0 HG3 PRO A 35 6.165 13.695 3.240 1.00 0.00 H new ATOM 0 HD2 PRO A 35 6.008 12.643 6.068 1.00 0.00 H new ATOM 0 HD3 PRO A 35 6.018 11.746 4.563 1.00 0.00 H new ATOM 570 N ASP A 36 9.485 13.916 6.923 1.00 0.00 N ATOM 571 CA ASP A 36 10.359 14.459 7.957 1.00 0.00 C ATOM 572 C ASP A 36 11.471 13.478 8.305 1.00 0.00 C ATOM 573 O ASP A 36 12.162 13.642 9.312 1.00 0.00 O ATOM 574 CB ASP A 36 9.555 14.798 9.214 1.00 0.00 C ATOM 575 CG ASP A 36 8.581 15.949 9.003 1.00 0.00 C ATOM 576 OD1 ASP A 36 8.817 16.748 8.127 1.00 0.00 O ATOM 577 OD2 ASP A 36 7.613 16.019 9.719 1.00 0.00 O ATOM 0 H ASP A 36 8.722 13.340 7.277 1.00 0.00 H new ATOM 0 HA ASP A 36 10.811 15.370 7.566 1.00 0.00 H new ATOM 0 HB2 ASP A 36 9.002 13.915 9.534 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.242 15.054 10.021 1.00 0.00 H new ATOM 582 N LYS A 37 11.640 12.461 7.469 1.00 0.00 N ATOM 583 CA LYS A 37 12.718 11.496 7.646 1.00 0.00 C ATOM 584 C LYS A 37 13.751 11.614 6.533 1.00 0.00 C ATOM 585 O LYS A 37 13.448 12.091 5.439 1.00 0.00 O ATOM 586 CB LYS A 37 12.161 10.072 7.696 1.00 0.00 C ATOM 587 CG LYS A 37 11.213 9.808 8.860 1.00 0.00 C ATOM 588 CD LYS A 37 11.942 9.880 10.193 1.00 0.00 C ATOM 589 CE LYS A 37 11.020 9.523 11.348 1.00 0.00 C ATOM 590 NZ LYS A 37 11.702 9.646 12.665 1.00 0.00 N ATOM 0 H LYS A 37 11.044 12.283 6.661 1.00 0.00 H new ATOM 0 HA LYS A 37 13.210 11.717 8.593 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.637 9.867 6.763 1.00 0.00 H new ATOM 0 HB3 LYS A 37 12.994 9.371 7.755 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.404 10.538 8.846 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.757 8.825 8.745 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.794 9.200 10.181 1.00 0.00 H new ATOM 0 HD3 LYS A 37 12.339 10.885 10.339 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.147 10.175 11.330 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.658 8.503 11.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.038 9.394 13.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.520 9.005 12.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.025 10.626 12.799 1.00 0.00 H new ATOM 604 N PRO A 38 14.973 11.175 6.817 1.00 0.00 N ATOM 605 CA PRO A 38 16.055 11.238 5.842 1.00 0.00 C ATOM 606 C PRO A 38 15.675 10.523 4.551 1.00 0.00 C ATOM 607 O PRO A 38 16.106 10.909 3.465 1.00 0.00 O ATOM 608 CB PRO A 38 17.208 10.528 6.560 1.00 0.00 C ATOM 609 CG PRO A 38 16.934 10.761 8.008 1.00 0.00 C ATOM 610 CD PRO A 38 15.437 10.663 8.125 1.00 0.00 C ATOM 0 HA PRO A 38 16.304 12.255 5.540 1.00 0.00 H new ATOM 0 HB2 PRO A 38 17.229 9.464 6.325 1.00 0.00 H new ATOM 0 HB3 PRO A 38 18.174 10.939 6.266 1.00 0.00 H new ATOM 0 HG2 PRO A 38 17.431 10.018 8.631 1.00 0.00 H new ATOM 0 HG3 PRO A 38 17.295 11.738 8.329 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.111 9.637 8.297 1.00 0.00 H new ATOM 0 HD3 PRO A 38 15.056 11.262 8.952 1.00 0.00 H new ATOM 618 N THR A 39 14.865 9.478 4.677 1.00 0.00 N ATOM 619 CA THR A 39 14.471 8.670 3.528 1.00 0.00 C ATOM 620 C THR A 39 13.087 9.064 3.026 1.00 0.00 C ATOM 621 O THR A 39 12.415 8.281 2.353 1.00 0.00 O ATOM 622 CB THR A 39 14.490 7.169 3.872 1.00 0.00 C ATOM 623 OG1 THR A 39 13.604 6.917 4.970 1.00 0.00 O ATOM 624 CG2 THR A 39 15.897 6.726 4.247 1.00 0.00 C ATOM 0 H THR A 39 14.468 9.170 5.564 1.00 0.00 H new ATOM 0 HA THR A 39 15.197 8.858 2.737 1.00 0.00 H new ATOM 0 HB THR A 39 14.164 6.606 2.997 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.677 7.050 4.680 1.00 0.00 H new ATOM 0 HG21 THR A 39 15.892 5.663 4.487 1.00 0.00 H new ATOM 0 HG22 THR A 39 16.570 6.906 3.409 1.00 0.00 H new ATOM 0 HG23 THR A 39 16.238 7.292 5.114 1.00 0.00 H new ATOM 632 N GLY A 40 12.667 10.280 3.357 1.00 0.00 N ATOM 633 CA GLY A 40 11.344 10.762 2.978 1.00 0.00 C ATOM 634 C GLY A 40 11.187 10.806 1.464 1.00 0.00 C ATOM 635 O GLY A 40 12.135 11.117 0.740 1.00 0.00 O ATOM 0 H GLY A 40 13.224 10.950 3.887 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.581 10.112 3.407 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.184 11.758 3.392 1.00 0.00 H new ATOM 639 N ASP A 41 9.987 10.494 0.988 1.00 0.00 N ATOM 640 CA ASP A 41 9.706 10.491 -0.442 1.00 0.00 C ATOM 641 C ASP A 41 8.240 10.806 -0.717 1.00 0.00 C ATOM 642 O ASP A 41 7.384 9.926 -0.648 1.00 0.00 O ATOM 643 CB ASP A 41 10.067 9.136 -1.057 1.00 0.00 C ATOM 644 CG ASP A 41 9.863 9.096 -2.565 1.00 0.00 C ATOM 645 OD1 ASP A 41 9.057 9.850 -3.056 1.00 0.00 O ATOM 646 OD2 ASP A 41 10.517 8.312 -3.212 1.00 0.00 O ATOM 0 H ASP A 41 9.192 10.239 1.573 1.00 0.00 H new ATOM 0 HA ASP A 41 10.318 11.268 -0.900 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.108 8.906 -0.830 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.460 8.359 -0.593 1.00 0.00 H new ATOM 651 N THR A 42 7.960 12.067 -1.027 1.00 0.00 N ATOM 652 CA THR A 42 6.586 12.532 -1.170 1.00 0.00 C ATOM 653 C THR A 42 5.847 11.747 -2.245 1.00 0.00 C ATOM 654 O THR A 42 4.681 11.390 -2.075 1.00 0.00 O ATOM 655 CB THR A 42 6.542 14.035 -1.505 1.00 0.00 C ATOM 656 OG1 THR A 42 7.136 14.783 -0.435 1.00 0.00 O ATOM 657 CG2 THR A 42 5.106 14.495 -1.704 1.00 0.00 C ATOM 0 H THR A 42 8.667 12.785 -1.184 1.00 0.00 H new ATOM 0 HA THR A 42 6.089 12.369 -0.214 1.00 0.00 H new ATOM 0 HB THR A 42 7.098 14.203 -2.428 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.109 15.739 -0.650 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.094 15.559 -1.940 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.655 13.936 -2.524 1.00 0.00 H new ATOM 0 HG23 THR A 42 4.538 14.320 -0.790 1.00 0.00 H new ATOM 665 N GLU A 43 6.531 11.481 -3.352 1.00 0.00 N ATOM 666 CA GLU A 43 5.933 10.753 -4.467 1.00 0.00 C ATOM 667 C GLU A 43 5.427 9.387 -4.024 1.00 0.00 C ATOM 668 O GLU A 43 4.257 9.057 -4.213 1.00 0.00 O ATOM 669 CB GLU A 43 6.947 10.590 -5.601 1.00 0.00 C ATOM 670 CG GLU A 43 6.405 9.872 -6.829 1.00 0.00 C ATOM 671 CD GLU A 43 7.403 9.799 -7.952 1.00 0.00 C ATOM 672 OE1 GLU A 43 8.477 10.329 -7.801 1.00 0.00 O ATOM 673 OE2 GLU A 43 7.090 9.212 -8.960 1.00 0.00 O ATOM 0 H GLU A 43 7.501 11.758 -3.502 1.00 0.00 H new ATOM 0 HA GLU A 43 5.083 11.333 -4.827 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.303 11.576 -5.899 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.810 10.040 -5.225 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.105 8.862 -6.550 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.509 10.386 -7.178 1.00 0.00 H new ATOM 680 N LYS A 44 6.317 8.595 -3.434 1.00 0.00 N ATOM 681 CA LYS A 44 5.963 7.258 -2.969 1.00 0.00 C ATOM 682 C LYS A 44 5.017 7.322 -1.776 1.00 0.00 C ATOM 683 O LYS A 44 4.166 6.449 -1.600 1.00 0.00 O ATOM 684 CB LYS A 44 7.221 6.470 -2.602 1.00 0.00 C ATOM 685 CG LYS A 44 8.050 6.016 -3.796 1.00 0.00 C ATOM 686 CD LYS A 44 9.232 5.165 -3.356 1.00 0.00 C ATOM 687 CE LYS A 44 10.032 4.668 -4.550 1.00 0.00 C ATOM 688 NZ LYS A 44 11.232 3.893 -4.133 1.00 0.00 N ATOM 0 H LYS A 44 7.289 8.856 -3.267 1.00 0.00 H new ATOM 0 HA LYS A 44 5.449 6.746 -3.783 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.845 7.086 -1.955 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.930 5.594 -2.023 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.423 5.445 -4.481 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.410 6.887 -4.344 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.878 5.748 -2.700 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.874 4.314 -2.776 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.397 4.043 -5.177 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.342 5.518 -5.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.749 3.573 -4.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.852 4.497 -3.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.935 3.067 -3.575 1.00 0.00 H new ATOM 702 N PHE A 45 5.170 8.359 -0.962 1.00 0.00 N ATOM 703 CA PHE A 45 4.286 8.576 0.178 1.00 0.00 C ATOM 704 C PHE A 45 2.832 8.677 -0.263 1.00 0.00 C ATOM 705 O PHE A 45 1.935 8.151 0.396 1.00 0.00 O ATOM 706 CB PHE A 45 4.686 9.845 0.932 1.00 0.00 C ATOM 707 CG PHE A 45 3.971 10.024 2.241 1.00 0.00 C ATOM 708 CD1 PHE A 45 2.866 10.857 2.335 1.00 0.00 C ATOM 709 CD2 PHE A 45 4.400 9.361 3.380 1.00 0.00 C ATOM 710 CE1 PHE A 45 2.207 11.021 3.539 1.00 0.00 C ATOM 711 CE2 PHE A 45 3.742 9.523 4.583 1.00 0.00 C ATOM 712 CZ PHE A 45 2.644 10.356 4.662 1.00 0.00 C ATOM 0 H PHE A 45 5.899 9.064 -1.070 1.00 0.00 H new ATOM 0 HA PHE A 45 4.386 7.717 0.842 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.760 9.824 1.116 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.488 10.710 0.299 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.517 11.383 1.459 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.260 8.710 3.326 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.348 11.672 3.599 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.086 8.998 5.462 1.00 0.00 H new ATOM 0 HZ PHE A 45 2.129 10.486 5.603 1.00 0.00 H new ATOM 722 N LYS A 46 2.604 9.357 -1.381 1.00 0.00 N ATOM 723 CA LYS A 46 1.275 9.435 -1.974 1.00 0.00 C ATOM 724 C LYS A 46 0.863 8.097 -2.576 1.00 0.00 C ATOM 725 O LYS A 46 -0.303 7.709 -2.507 1.00 0.00 O ATOM 726 CB LYS A 46 1.227 10.530 -3.042 1.00 0.00 C ATOM 727 CG LYS A 46 1.311 11.947 -2.493 1.00 0.00 C ATOM 728 CD LYS A 46 1.280 12.976 -3.614 1.00 0.00 C ATOM 729 CE LYS A 46 1.338 14.394 -3.065 1.00 0.00 C ATOM 730 NZ LYS A 46 1.335 15.411 -4.151 1.00 0.00 N ATOM 0 H LYS A 46 3.325 9.863 -1.896 1.00 0.00 H new ATOM 0 HA LYS A 46 0.570 9.685 -1.181 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.049 10.375 -3.741 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.302 10.427 -3.609 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.480 12.125 -1.810 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.228 12.062 -1.916 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.121 12.810 -4.287 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.371 12.849 -4.202 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.486 14.563 -2.407 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.237 14.512 -2.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.375 16.363 -3.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.162 15.266 -4.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.465 15.316 -4.714 1.00 0.00 H new ATOM 744 N GLU A 47 1.826 7.397 -3.166 1.00 0.00 N ATOM 745 CA GLU A 47 1.553 6.125 -3.824 1.00 0.00 C ATOM 746 C GLU A 47 1.101 5.071 -2.822 1.00 0.00 C ATOM 747 O GLU A 47 0.174 4.306 -3.087 1.00 0.00 O ATOM 748 CB GLU A 47 2.797 5.634 -4.569 1.00 0.00 C ATOM 749 CG GLU A 47 3.136 6.428 -5.822 1.00 0.00 C ATOM 750 CD GLU A 47 4.401 5.963 -6.487 1.00 0.00 C ATOM 751 OE1 GLU A 47 5.138 5.231 -5.871 1.00 0.00 O ATOM 752 OE2 GLU A 47 4.631 6.340 -7.611 1.00 0.00 O ATOM 0 H GLU A 47 2.803 7.689 -3.202 1.00 0.00 H new ATOM 0 HA GLU A 47 0.746 6.286 -4.539 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.649 5.669 -3.890 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.652 4.589 -4.844 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.310 6.350 -6.529 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.235 7.482 -5.562 1.00 0.00 H new ATOM 759 N ILE A 48 1.761 5.037 -1.669 1.00 0.00 N ATOM 760 CA ILE A 48 1.435 4.070 -0.628 1.00 0.00 C ATOM 761 C ILE A 48 0.121 4.422 0.058 1.00 0.00 C ATOM 762 O ILE A 48 -0.556 3.553 0.607 1.00 0.00 O ATOM 763 CB ILE A 48 2.558 3.992 0.422 1.00 0.00 C ATOM 764 CG1 ILE A 48 2.729 5.343 1.121 1.00 0.00 C ATOM 765 CG2 ILE A 48 3.862 3.555 -0.226 1.00 0.00 C ATOM 766 CD1 ILE A 48 3.640 5.295 2.326 1.00 0.00 C ATOM 0 H ILE A 48 2.526 5.669 -1.432 1.00 0.00 H new ATOM 0 HA ILE A 48 1.331 3.098 -1.110 1.00 0.00 H new ATOM 0 HB ILE A 48 2.282 3.250 1.171 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.125 6.064 0.406 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.750 5.707 1.432 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.645 3.505 0.530 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.732 2.572 -0.679 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.145 4.274 -0.995 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.712 6.289 2.768 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.235 4.600 3.061 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.632 4.962 2.019 1.00 0.00 H new ATOM 778 N SER A 49 -0.235 5.702 0.024 1.00 0.00 N ATOM 779 CA SER A 49 -1.532 6.149 0.513 1.00 0.00 C ATOM 780 C SER A 49 -2.658 5.678 -0.397 1.00 0.00 C ATOM 781 O SER A 49 -3.726 5.284 0.070 1.00 0.00 O ATOM 782 CB SER A 49 -1.557 7.662 0.620 1.00 0.00 C ATOM 783 OG SER A 49 -0.679 8.108 1.618 1.00 0.00 O ATOM 0 H SER A 49 0.359 6.448 -0.338 1.00 0.00 H new ATOM 0 HA SER A 49 -1.686 5.713 1.500 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.280 8.103 -0.337 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.569 7.998 0.844 1.00 0.00 H new ATOM 0 HG SER A 49 0.230 8.158 1.256 1.00 0.00 H new ATOM 789 N GLU A 50 -2.414 5.721 -1.703 1.00 0.00 N ATOM 790 CA GLU A 50 -3.305 5.093 -2.672 1.00 0.00 C ATOM 791 C GLU A 50 -3.379 3.587 -2.455 1.00 0.00 C ATOM 792 O GLU A 50 -4.464 3.007 -2.421 1.00 0.00 O ATOM 793 CB GLU A 50 -2.837 5.390 -4.098 1.00 0.00 C ATOM 794 CG GLU A 50 -3.711 4.780 -5.185 1.00 0.00 C ATOM 795 CD GLU A 50 -3.205 5.067 -6.572 1.00 0.00 C ATOM 796 OE1 GLU A 50 -2.127 5.599 -6.692 1.00 0.00 O ATOM 797 OE2 GLU A 50 -3.897 4.755 -7.512 1.00 0.00 O ATOM 0 H GLU A 50 -1.605 6.185 -2.115 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.301 5.511 -2.528 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.803 6.470 -4.239 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -1.818 5.021 -4.218 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.764 3.701 -5.039 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.726 5.165 -5.087 1.00 0.00 H new ATOM 804 N ALA A 51 -2.218 2.958 -2.307 1.00 0.00 N ATOM 805 CA ALA A 51 -2.152 1.528 -2.027 1.00 0.00 C ATOM 806 C ALA A 51 -2.972 1.170 -0.794 1.00 0.00 C ATOM 807 O ALA A 51 -3.697 0.174 -0.787 1.00 0.00 O ATOM 808 CB ALA A 51 -0.706 1.090 -1.845 1.00 0.00 C ATOM 0 H ALA A 51 -1.309 3.416 -2.376 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.576 0.998 -2.880 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.673 0.021 -1.637 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.145 1.300 -2.756 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.263 1.636 -1.012 1.00 0.00 H new ATOM 814 N PHE A 52 -2.855 1.986 0.247 1.00 0.00 N ATOM 815 CA PHE A 52 -3.609 1.775 1.477 1.00 0.00 C ATOM 816 C PHE A 52 -5.109 1.775 1.208 1.00 0.00 C ATOM 817 O PHE A 52 -5.809 0.818 1.539 1.00 0.00 O ATOM 818 CB PHE A 52 -3.269 2.856 2.504 1.00 0.00 C ATOM 819 CG PHE A 52 -4.119 2.802 3.742 1.00 0.00 C ATOM 820 CD1 PHE A 52 -4.054 1.713 4.599 1.00 0.00 C ATOM 821 CD2 PHE A 52 -4.983 3.840 4.054 1.00 0.00 C ATOM 822 CE1 PHE A 52 -4.835 1.663 5.737 1.00 0.00 C ATOM 823 CE2 PHE A 52 -5.764 3.793 5.192 1.00 0.00 C ATOM 824 CZ PHE A 52 -5.689 2.702 6.035 1.00 0.00 C ATOM 0 H PHE A 52 -2.243 2.802 0.264 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.329 0.800 1.876 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.221 2.758 2.789 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.382 3.835 2.039 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.385 0.895 4.374 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.046 4.696 3.399 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.776 0.808 6.394 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.433 4.609 5.422 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.298 2.663 6.926 1.00 0.00 H new ATOM 834 N GLU A 53 -5.597 2.855 0.606 1.00 0.00 N ATOM 835 CA GLU A 53 -7.019 2.997 0.324 1.00 0.00 C ATOM 836 C GLU A 53 -7.554 1.790 -0.434 1.00 0.00 C ATOM 837 O GLU A 53 -8.566 1.201 -0.052 1.00 0.00 O ATOM 838 CB GLU A 53 -7.279 4.273 -0.481 1.00 0.00 C ATOM 839 CG GLU A 53 -8.738 4.494 -0.857 1.00 0.00 C ATOM 840 CD GLU A 53 -8.947 5.730 -1.686 1.00 0.00 C ATOM 841 OE1 GLU A 53 -8.036 6.517 -1.788 1.00 0.00 O ATOM 842 OE2 GLU A 53 -10.020 5.888 -2.218 1.00 0.00 O ATOM 0 H GLU A 53 -5.027 3.645 0.304 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.542 3.062 1.278 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.932 5.130 0.097 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.683 4.241 -1.393 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -9.101 3.627 -1.409 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -9.335 4.567 0.052 1.00 0.00 H new ATOM 849 N ILE A 54 -6.871 1.424 -1.514 1.00 0.00 N ATOM 850 CA ILE A 54 -7.312 0.327 -2.365 1.00 0.00 C ATOM 851 C ILE A 54 -7.286 -0.998 -1.615 1.00 0.00 C ATOM 852 O ILE A 54 -8.227 -1.787 -1.698 1.00 0.00 O ATOM 853 CB ILE A 54 -6.432 0.221 -3.624 1.00 0.00 C ATOM 854 CG1 ILE A 54 -6.657 1.430 -4.537 1.00 0.00 C ATOM 855 CG2 ILE A 54 -6.724 -1.073 -4.370 1.00 0.00 C ATOM 856 CD1 ILE A 54 -5.647 1.549 -5.654 1.00 0.00 C ATOM 0 H ILE A 54 -6.008 1.873 -1.820 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.338 0.541 -2.663 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.387 0.212 -3.316 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.656 1.366 -4.969 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.627 2.338 -3.935 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.093 -1.132 -5.257 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.516 -1.923 -3.720 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.772 -1.093 -4.668 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.873 2.429 -6.257 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.647 1.646 -5.231 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.691 0.659 -6.281 1.00 0.00 H new ATOM 868 N LEU A 55 -6.204 -1.237 -0.882 1.00 0.00 N ATOM 869 CA LEU A 55 -5.964 -2.539 -0.272 1.00 0.00 C ATOM 870 C LEU A 55 -6.591 -2.623 1.114 1.00 0.00 C ATOM 871 O LEU A 55 -6.679 -3.700 1.702 1.00 0.00 O ATOM 872 CB LEU A 55 -4.456 -2.808 -0.173 1.00 0.00 C ATOM 873 CG LEU A 55 -3.699 -2.839 -1.507 1.00 0.00 C ATOM 874 CD1 LEU A 55 -2.217 -3.075 -1.244 1.00 0.00 C ATOM 875 CD2 LEU A 55 -4.277 -3.932 -2.394 1.00 0.00 C ATOM 0 H LEU A 55 -5.478 -0.545 -0.696 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.427 -3.295 -0.906 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.009 -2.041 0.460 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.308 -3.763 0.331 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.810 -1.884 -2.021 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.678 -3.097 -2.191 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.825 -2.270 -0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.086 -4.027 -0.730 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.739 -3.954 -3.342 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.175 -4.896 -1.896 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.332 -3.730 -2.580 1.00 0.00 H new ATOM 887 N ASN A 56 -7.027 -1.478 1.631 1.00 0.00 N ATOM 888 CA ASN A 56 -7.775 -1.438 2.882 1.00 0.00 C ATOM 889 C ASN A 56 -9.221 -1.871 2.673 1.00 0.00 C ATOM 890 O ASN A 56 -9.732 -2.727 3.394 1.00 0.00 O ATOM 891 CB ASN A 56 -7.714 -0.052 3.496 1.00 0.00 C ATOM 892 CG ASN A 56 -8.389 0.015 4.837 1.00 0.00 C ATOM 893 OD1 ASN A 56 -8.027 -0.719 5.765 1.00 0.00 O ATOM 894 ND2 ASN A 56 -9.361 0.884 4.960 1.00 0.00 N ATOM 0 H ASN A 56 -6.875 -0.565 1.202 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.312 -2.142 3.573 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.672 0.249 3.602 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -8.185 0.662 2.820 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.853 0.976 5.849 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.626 1.469 4.167 1.00 0.00 H new ATOM 901 N ASP A 57 -9.875 -1.272 1.684 1.00 0.00 N ATOM 902 CA ASP A 57 -11.207 -1.700 1.278 1.00 0.00 C ATOM 903 C ASP A 57 -11.172 -3.082 0.638 1.00 0.00 C ATOM 904 O ASP A 57 -10.567 -3.274 -0.416 1.00 0.00 O ATOM 905 CB ASP A 57 -11.819 -0.695 0.299 1.00 0.00 C ATOM 906 CG ASP A 57 -13.252 -1.040 -0.086 1.00 0.00 C ATOM 907 OD1 ASP A 57 -13.664 -2.147 0.162 1.00 0.00 O ATOM 908 OD2 ASP A 57 -13.920 -0.189 -0.624 1.00 0.00 O ATOM 0 H ASP A 57 -9.503 -0.488 1.148 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.824 -1.750 2.175 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.797 0.299 0.746 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.206 -0.653 -0.601 1.00 0.00 H new ATOM 913 N PRO A 58 -11.822 -4.044 1.284 1.00 0.00 N ATOM 914 CA PRO A 58 -11.819 -5.423 0.811 1.00 0.00 C ATOM 915 C PRO A 58 -12.238 -5.504 -0.653 1.00 0.00 C ATOM 916 O PRO A 58 -11.714 -6.318 -1.413 1.00 0.00 O ATOM 917 CB PRO A 58 -12.840 -6.105 1.727 1.00 0.00 C ATOM 918 CG PRO A 58 -12.735 -5.357 3.011 1.00 0.00 C ATOM 919 CD PRO A 58 -12.537 -3.923 2.595 1.00 0.00 C ATOM 0 HA PRO A 58 -10.835 -5.890 0.850 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -13.847 -6.047 1.314 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.611 -7.162 1.862 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -13.635 -5.475 3.614 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.899 -5.715 3.612 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -13.487 -3.399 2.489 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -11.948 -3.369 3.326 1.00 0.00 H new ATOM 927 N GLN A 59 -13.181 -4.654 -1.040 1.00 0.00 N ATOM 928 CA GLN A 59 -13.714 -4.668 -2.398 1.00 0.00 C ATOM 929 C GLN A 59 -12.682 -4.169 -3.400 1.00 0.00 C ATOM 930 O GLN A 59 -12.456 -4.793 -4.438 1.00 0.00 O ATOM 931 CB GLN A 59 -14.981 -3.814 -2.485 1.00 0.00 C ATOM 932 CG GLN A 59 -16.175 -4.393 -1.745 1.00 0.00 C ATOM 933 CD GLN A 59 -17.396 -3.495 -1.822 1.00 0.00 C ATOM 934 OE1 GLN A 59 -17.293 -2.310 -2.155 1.00 0.00 O ATOM 935 NE2 GLN A 59 -18.560 -4.054 -1.514 1.00 0.00 N ATOM 0 H GLN A 59 -13.593 -3.946 -0.433 1.00 0.00 H new ATOM 0 HA GLN A 59 -13.962 -5.700 -2.647 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -14.766 -2.823 -2.085 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -15.246 -3.684 -3.534 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -16.419 -5.370 -2.163 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -15.909 -4.551 -0.700 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -18.598 -5.037 -1.244 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -19.416 -3.501 -1.547 1.00 0.00 H new ATOM 944 N LYS A 60 -12.053 -3.042 -3.083 1.00 0.00 N ATOM 945 CA LYS A 60 -11.034 -2.463 -3.950 1.00 0.00 C ATOM 946 C LYS A 60 -9.792 -3.343 -4.002 1.00 0.00 C ATOM 947 O LYS A 60 -9.138 -3.452 -5.040 1.00 0.00 O ATOM 948 CB LYS A 60 -10.662 -1.058 -3.476 1.00 0.00 C ATOM 949 CG LYS A 60 -11.753 -0.015 -3.683 1.00 0.00 C ATOM 950 CD LYS A 60 -11.314 1.352 -3.180 1.00 0.00 C ATOM 951 CE LYS A 60 -12.399 2.396 -3.392 1.00 0.00 C ATOM 952 NZ LYS A 60 -11.995 3.733 -2.878 1.00 0.00 N ATOM 0 H LYS A 60 -12.232 -2.511 -2.231 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.450 -2.398 -4.956 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.412 -1.100 -2.416 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.764 -0.736 -4.003 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.003 0.048 -4.742 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.658 -0.324 -3.160 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.069 1.290 -2.120 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.406 1.658 -3.699 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.628 2.470 -4.455 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.313 2.076 -2.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.456 4.475 -3.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.284 3.824 -1.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.962 3.835 -2.949 1.00 0.00 H new ATOM 966 N ARG A 61 -9.469 -3.971 -2.877 1.00 0.00 N ATOM 967 CA ARG A 61 -8.353 -4.907 -2.811 1.00 0.00 C ATOM 968 C ARG A 61 -8.549 -6.065 -3.782 1.00 0.00 C ATOM 969 O ARG A 61 -7.633 -6.434 -4.517 1.00 0.00 O ATOM 970 CB ARG A 61 -8.191 -5.453 -1.401 1.00 0.00 C ATOM 971 CG ARG A 61 -7.043 -6.432 -1.221 1.00 0.00 C ATOM 972 CD ARG A 61 -7.040 -7.033 0.137 1.00 0.00 C ATOM 973 NE ARG A 61 -8.316 -7.651 0.461 1.00 0.00 N ATOM 974 CZ ARG A 61 -8.813 -8.743 -0.154 1.00 0.00 C ATOM 975 NH1 ARG A 61 -8.133 -9.322 -1.118 1.00 0.00 N ATOM 976 NH2 ARG A 61 -9.985 -9.230 0.214 1.00 0.00 N ATOM 0 H ARG A 61 -9.966 -3.848 -1.995 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.452 -4.361 -3.091 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.046 -4.616 -0.718 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.118 -5.946 -1.109 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.118 -7.222 -1.968 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.097 -5.919 -1.394 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.249 -7.780 0.201 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.812 -6.263 0.874 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.873 -7.229 1.204 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.228 -8.945 -1.401 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.510 -10.148 -1.583 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.512 -8.780 0.962 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.363 -10.056 -0.250 1.00 0.00 H new ATOM 990 N GLU A 62 -9.749 -6.635 -3.780 1.00 0.00 N ATOM 991 CA GLU A 62 -10.078 -7.730 -4.686 1.00 0.00 C ATOM 992 C GLU A 62 -10.046 -7.269 -6.138 1.00 0.00 C ATOM 993 O GLU A 62 -9.567 -7.989 -7.016 1.00 0.00 O ATOM 994 CB GLU A 62 -11.459 -8.300 -4.353 1.00 0.00 C ATOM 995 CG GLU A 62 -11.502 -9.138 -3.083 1.00 0.00 C ATOM 996 CD GLU A 62 -10.724 -10.419 -3.201 1.00 0.00 C ATOM 997 OE1 GLU A 62 -10.663 -10.958 -4.280 1.00 0.00 O ATOM 998 OE2 GLU A 62 -10.189 -10.860 -2.210 1.00 0.00 O ATOM 0 H GLU A 62 -10.510 -6.357 -3.161 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.327 -8.509 -4.555 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -12.165 -7.476 -4.254 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.798 -8.911 -5.189 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.105 -8.553 -2.254 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.539 -9.370 -2.841 1.00 0.00 H new ATOM 1005 N ILE A 63 -10.558 -6.069 -6.385 1.00 0.00 N ATOM 1006 CA ILE A 63 -10.536 -5.487 -7.721 1.00 0.00 C ATOM 1007 C ILE A 63 -9.110 -5.351 -8.240 1.00 0.00 C ATOM 1008 O ILE A 63 -8.828 -5.663 -9.397 1.00 0.00 O ATOM 1009 CB ILE A 63 -11.221 -4.107 -7.732 1.00 0.00 C ATOM 1010 CG1 ILE A 63 -12.729 -4.259 -7.515 1.00 0.00 C ATOM 1011 CG2 ILE A 63 -10.939 -3.383 -9.038 1.00 0.00 C ATOM 1012 CD1 ILE A 63 -13.435 -2.959 -7.206 1.00 0.00 C ATOM 0 H ILE A 63 -10.994 -5.479 -5.676 1.00 0.00 H new ATOM 0 HA ILE A 63 -11.085 -6.162 -8.377 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.813 -3.511 -6.915 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -13.173 -4.699 -8.408 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -12.900 -4.958 -6.696 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -11.431 -2.410 -9.028 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -9.864 -3.245 -9.153 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -11.320 -3.974 -9.871 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -14.499 -3.148 -7.065 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -13.019 -2.527 -6.296 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -13.296 -2.264 -8.034 1.00 0.00 H new ATOM 1024 N TYR A 64 -8.216 -4.881 -7.378 1.00 0.00 N ATOM 1025 CA TYR A 64 -6.805 -4.760 -7.727 1.00 0.00 C ATOM 1026 C TYR A 64 -6.210 -6.114 -8.091 1.00 0.00 C ATOM 1027 O TYR A 64 -5.570 -6.263 -9.132 1.00 0.00 O ATOM 1028 CB TYR A 64 -6.020 -4.127 -6.575 1.00 0.00 C ATOM 1029 CG TYR A 64 -4.523 -4.124 -6.786 1.00 0.00 C ATOM 1030 CD1 TYR A 64 -3.961 -3.327 -7.773 1.00 0.00 C ATOM 1031 CD2 TYR A 64 -3.709 -4.919 -5.992 1.00 0.00 C ATOM 1032 CE1 TYR A 64 -2.593 -3.325 -7.964 1.00 0.00 C ATOM 1033 CE2 TYR A 64 -2.342 -4.917 -6.185 1.00 0.00 C ATOM 1034 CZ TYR A 64 -1.784 -4.124 -7.167 1.00 0.00 C ATOM 1035 OH TYR A 64 -0.421 -4.121 -7.357 1.00 0.00 O ATOM 0 H TYR A 64 -8.443 -4.577 -6.431 1.00 0.00 H new ATOM 0 HA TYR A 64 -6.731 -4.112 -8.600 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.360 -3.101 -6.437 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -6.247 -4.665 -5.654 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -4.593 -2.708 -8.392 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.145 -5.539 -5.223 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -2.154 -2.704 -8.731 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -1.709 -5.536 -5.567 1.00 0.00 H new ATOM 0 HH TYR A 64 -0.221 -3.904 -8.292 1.00 0.00 H new ATOM 1045 N ASP A 65 -6.423 -7.099 -7.225 1.00 0.00 N ATOM 1046 CA ASP A 65 -5.795 -8.406 -7.383 1.00 0.00 C ATOM 1047 C ASP A 65 -6.392 -9.166 -8.560 1.00 0.00 C ATOM 1048 O ASP A 65 -5.700 -9.928 -9.235 1.00 0.00 O ATOM 1049 CB ASP A 65 -5.949 -9.231 -6.103 1.00 0.00 C ATOM 1050 CG ASP A 65 -5.043 -8.753 -4.976 1.00 0.00 C ATOM 1051 OD1 ASP A 65 -4.080 -8.081 -5.260 1.00 0.00 O ATOM 1052 OD2 ASP A 65 -5.325 -9.063 -3.844 1.00 0.00 O ATOM 0 H ASP A 65 -7.026 -7.017 -6.406 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.735 -8.243 -7.580 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -6.986 -9.187 -5.771 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -5.728 -10.276 -6.322 1.00 0.00 H new ATOM 1057 N GLN A 66 -7.682 -8.955 -8.801 1.00 0.00 N ATOM 1058 CA GLN A 66 -8.398 -9.694 -9.832 1.00 0.00 C ATOM 1059 C GLN A 66 -8.218 -9.048 -11.200 1.00 0.00 C ATOM 1060 O GLN A 66 -8.115 -9.737 -12.215 1.00 0.00 O ATOM 1061 CB GLN A 66 -9.889 -9.785 -9.491 1.00 0.00 C ATOM 1062 CG GLN A 66 -10.201 -10.685 -8.308 1.00 0.00 C ATOM 1063 CD GLN A 66 -11.691 -10.790 -8.040 1.00 0.00 C ATOM 1064 OE1 GLN A 66 -12.509 -10.729 -8.962 1.00 0.00 O ATOM 1065 NE2 GLN A 66 -12.052 -10.950 -6.772 1.00 0.00 N ATOM 0 H GLN A 66 -8.252 -8.277 -8.295 1.00 0.00 H new ATOM 0 HA GLN A 66 -7.979 -10.700 -9.869 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -10.264 -8.784 -9.281 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.429 -10.151 -10.364 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -9.797 -11.680 -8.495 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -9.701 -10.300 -7.420 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -11.342 -10.995 -6.041 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -13.040 -11.028 -6.529 1.00 0.00 H new ATOM 1074 N TYR A 67 -8.180 -7.721 -11.222 1.00 0.00 N ATOM 1075 CA TYR A 67 -8.224 -6.973 -12.471 1.00 0.00 C ATOM 1076 C TYR A 67 -6.965 -6.136 -12.659 1.00 0.00 C ATOM 1077 O TYR A 67 -6.369 -6.126 -13.737 1.00 0.00 O ATOM 1078 CB TYR A 67 -9.467 -6.078 -12.517 1.00 0.00 C ATOM 1079 CG TYR A 67 -10.766 -6.832 -12.339 1.00 0.00 C ATOM 1080 CD1 TYR A 67 -11.230 -7.662 -13.350 1.00 0.00 C ATOM 1081 CD2 TYR A 67 -11.494 -6.692 -11.167 1.00 0.00 C ATOM 1082 CE1 TYR A 67 -12.418 -8.350 -13.188 1.00 0.00 C ATOM 1083 CE2 TYR A 67 -12.682 -7.379 -11.005 1.00 0.00 C ATOM 1084 CZ TYR A 67 -13.143 -8.205 -12.010 1.00 0.00 C ATOM 1085 OH TYR A 67 -14.326 -8.890 -11.849 1.00 0.00 O ATOM 0 H TYR A 67 -8.119 -7.140 -10.386 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.277 -7.692 -13.288 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -9.387 -5.320 -11.738 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -9.490 -5.552 -13.472 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -10.663 -7.770 -14.263 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -11.132 -6.046 -10.381 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -12.781 -8.997 -13.973 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.249 -7.270 -10.093 1.00 0.00 H new ATOM 0 HH TYR A 67 -14.708 -8.681 -10.971 1.00 0.00 H new ATOM 1095 N GLY A 68 -6.565 -5.434 -11.605 1.00 0.00 N ATOM 1096 CA GLY A 68 -5.322 -4.671 -11.618 1.00 0.00 C ATOM 1097 C GLY A 68 -5.546 -3.245 -11.137 1.00 0.00 C ATOM 1098 O GLY A 68 -6.672 -2.851 -10.832 1.00 0.00 O ATOM 0 H GLY A 68 -7.084 -5.377 -10.729 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.585 -5.161 -10.981 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.912 -4.657 -12.628 1.00 0.00 H new ATOM 1102 N LEU A 69 -4.467 -2.473 -11.069 1.00 0.00 N ATOM 1103 CA LEU A 69 -4.533 -1.104 -10.569 1.00 0.00 C ATOM 1104 C LEU A 69 -5.460 -0.249 -11.425 1.00 0.00 C ATOM 1105 O LEU A 69 -6.279 0.509 -10.906 1.00 0.00 O ATOM 1106 CB LEU A 69 -3.133 -0.481 -10.541 1.00 0.00 C ATOM 1107 CG LEU A 69 -3.061 0.973 -10.056 1.00 0.00 C ATOM 1108 CD1 LEU A 69 -3.604 1.063 -8.635 1.00 0.00 C ATOM 1109 CD2 LEU A 69 -1.622 1.460 -10.122 1.00 0.00 C ATOM 0 H LEU A 69 -3.535 -2.772 -11.354 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.934 -1.137 -9.556 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.497 -1.091 -9.899 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.713 -0.531 -11.546 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.670 1.610 -10.698 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.553 2.096 -8.291 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.641 0.726 -8.620 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.008 0.431 -7.977 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.571 2.493 -9.777 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.996 0.834 -9.486 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.265 1.403 -11.150 1.00 0.00 H new ATOM 1121 N GLU A 70 -5.323 -0.376 -12.742 1.00 0.00 N ATOM 1122 CA GLU A 70 -6.161 0.370 -13.674 1.00 0.00 C ATOM 1123 C GLU A 70 -7.634 0.255 -13.305 1.00 0.00 C ATOM 1124 O GLU A 70 -8.346 1.258 -13.233 1.00 0.00 O ATOM 1125 CB GLU A 70 -5.943 -0.130 -15.104 1.00 0.00 C ATOM 1126 CG GLU A 70 -6.752 0.611 -16.158 1.00 0.00 C ATOM 1127 CD GLU A 70 -6.499 0.105 -17.552 1.00 0.00 C ATOM 1128 OE1 GLU A 70 -5.707 -0.794 -17.702 1.00 0.00 O ATOM 1129 OE2 GLU A 70 -7.099 0.619 -18.468 1.00 0.00 O ATOM 0 H GLU A 70 -4.640 -0.989 -13.187 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.873 1.420 -13.613 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.884 -0.044 -15.349 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.195 -1.190 -15.148 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.813 0.514 -15.929 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.512 1.673 -16.113 1.00 0.00 H new ATOM 1136 N ALA A 71 -8.086 -0.972 -13.069 1.00 0.00 N ATOM 1137 CA ALA A 71 -9.464 -1.215 -12.659 1.00 0.00 C ATOM 1138 C ALA A 71 -9.749 -0.603 -11.294 1.00 0.00 C ATOM 1139 O ALA A 71 -10.793 0.017 -11.087 1.00 0.00 O ATOM 1140 CB ALA A 71 -9.756 -2.709 -12.642 1.00 0.00 C ATOM 0 H ALA A 71 -7.517 -1.814 -13.155 1.00 0.00 H new ATOM 0 HA ALA A 71 -10.121 -0.736 -13.385 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.788 -2.874 -12.334 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.605 -3.121 -13.640 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.084 -3.203 -11.940 1.00 0.00 H new ATOM 1146 N ALA A 72 -8.817 -0.781 -10.365 1.00 0.00 N ATOM 1147 CA ALA A 72 -8.980 -0.274 -9.007 1.00 0.00 C ATOM 1148 C ALA A 72 -9.162 1.239 -9.004 1.00 0.00 C ATOM 1149 O ALA A 72 -9.934 1.779 -8.211 1.00 0.00 O ATOM 1150 CB ALA A 72 -7.786 -0.664 -8.149 1.00 0.00 C ATOM 0 H ALA A 72 -7.939 -1.274 -10.528 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.879 -0.724 -8.585 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.923 -0.278 -7.139 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.702 -1.750 -8.115 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.877 -0.243 -8.578 1.00 0.00 H new