USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 500 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 Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -170:sc= 0 (180deg=-0.103) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.956 K(o=-0.96,f=-2.7) USER MOD Single : A 8 SER OG : rot 180:sc= -0.697 USER MOD Single : A 9 TYR OH : rot 46:sc= 0.248 USER MOD Single : A 10 GLN :FLIP amide:sc= 0 F(o=-0.93,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -109:sc= 0.906 USER MOD Single : A 15 TYR OH : rot 180:sc=-0.00952 USER MOD Single : A 18 GLN : amide:sc=-0.00886 X(o=-0.0089,f=0.047) USER MOD Single : A 19 ASN : amide:sc= 0.00319 X(o=0.0032,f=0) USER MOD Single : A 34 MET CE :methyl -132:sc= -2.9! (180deg=-4.41!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 CYS SG : rot 119:sc= 0.504 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 150:sc= 0 USER MOD Single : A 49 THR OG1 : rot 14:sc= 0.0963! USER MOD Single : A 50 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000605) USER MOD Single : A 51 GLN : amide:sc= -2! C(o=-2!,f=-5!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot -125:sc= 0.105 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -19.741 -3.325 -7.211 1.00 0.00 N ATOM 2 CA GLN A 1 -18.414 -2.751 -6.900 1.00 0.00 C ATOM 3 C GLN A 1 -17.332 -3.802 -7.083 1.00 0.00 C ATOM 4 O GLN A 1 -17.519 -4.971 -6.737 1.00 0.00 O ATOM 5 CB GLN A 1 -18.375 -2.236 -5.457 1.00 0.00 C ATOM 6 CG GLN A 1 -19.342 -1.100 -5.174 1.00 0.00 C ATOM 7 CD GLN A 1 -19.271 -0.628 -3.734 1.00 0.00 C ATOM 8 OE1 GLN A 1 -19.994 -1.124 -2.868 1.00 0.00 O ATOM 9 NE2 GLN A 1 -18.403 0.334 -3.469 1.00 0.00 N ATOM 0 H1 GLN A 1 -20.448 -2.564 -7.248 1.00 0.00 H new ATOM 0 H2 GLN A 1 -19.703 -3.808 -8.131 1.00 0.00 H new ATOM 0 H3 GLN A 1 -20.006 -4.008 -6.472 1.00 0.00 H new ATOM 0 HA GLN A 1 -18.236 -1.920 -7.582 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -18.596 -3.063 -4.782 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -17.363 -1.901 -5.230 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -19.122 -0.265 -5.839 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -20.358 -1.426 -5.397 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -17.823 0.717 -4.215 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -18.314 0.693 -2.518 1.00 0.00 H new ATOM 20 N THR A 2 -16.213 -3.390 -7.655 1.00 0.00 N ATOM 21 CA THR A 2 -15.069 -4.269 -7.805 1.00 0.00 C ATOM 22 C THR A 2 -14.084 -4.049 -6.659 1.00 0.00 C ATOM 23 O THR A 2 -13.354 -4.961 -6.266 1.00 0.00 O ATOM 24 CB THR A 2 -14.364 -4.024 -9.154 1.00 0.00 C ATOM 25 OG1 THR A 2 -15.341 -3.992 -10.205 1.00 0.00 O ATOM 26 CG2 THR A 2 -13.339 -5.112 -9.444 1.00 0.00 C ATOM 0 H THR A 2 -16.074 -2.449 -8.024 1.00 0.00 H new ATOM 0 HA THR A 2 -15.424 -5.299 -7.781 1.00 0.00 H new ATOM 0 HB THR A 2 -13.842 -3.068 -9.100 1.00 0.00 H new ATOM 0 HG1 THR A 2 -14.894 -3.835 -11.063 1.00 0.00 H new ATOM 0 HG21 THR A 2 -12.858 -4.913 -10.402 1.00 0.00 H new ATOM 0 HG22 THR A 2 -12.587 -5.123 -8.655 1.00 0.00 H new ATOM 0 HG23 THR A 2 -13.838 -6.081 -9.483 1.00 0.00 H new ATOM 34 N SER A 3 -14.096 -2.842 -6.111 1.00 0.00 N ATOM 35 CA SER A 3 -13.191 -2.476 -5.036 1.00 0.00 C ATOM 36 C SER A 3 -13.962 -1.971 -3.816 1.00 0.00 C ATOM 37 O SER A 3 -14.396 -0.818 -3.769 1.00 0.00 O ATOM 38 CB SER A 3 -12.209 -1.416 -5.538 1.00 0.00 C ATOM 39 OG SER A 3 -12.852 -0.502 -6.415 1.00 0.00 O ATOM 0 H SER A 3 -14.729 -2.095 -6.398 1.00 0.00 H new ATOM 0 HA SER A 3 -12.634 -3.360 -4.726 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.786 -0.876 -4.691 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.379 -1.899 -6.054 1.00 0.00 H new ATOM 0 HG SER A 3 -12.205 0.167 -6.722 1.00 0.00 H new ATOM 45 N GLN A 4 -14.149 -2.854 -2.845 1.00 0.00 N ATOM 46 CA GLN A 4 -14.806 -2.500 -1.597 1.00 0.00 C ATOM 47 C GLN A 4 -13.993 -3.024 -0.412 1.00 0.00 C ATOM 48 O GLN A 4 -12.979 -2.437 -0.041 1.00 0.00 O ATOM 49 CB GLN A 4 -16.270 -3.011 -1.551 1.00 0.00 C ATOM 50 CG GLN A 4 -16.485 -4.516 -1.778 1.00 0.00 C ATOM 51 CD GLN A 4 -16.147 -4.998 -3.173 1.00 0.00 C ATOM 52 OE1 GLN A 4 -16.275 -4.264 -4.149 1.00 0.00 O ATOM 53 NE2 GLN A 4 -15.712 -6.245 -3.272 1.00 0.00 N ATOM 0 H GLN A 4 -13.852 -3.828 -2.900 1.00 0.00 H new ATOM 0 HA GLN A 4 -14.853 -1.413 -1.533 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -16.691 -2.750 -0.580 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -16.843 -2.469 -2.303 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -15.879 -5.069 -1.060 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -17.527 -4.757 -1.567 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -15.620 -6.821 -2.435 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -15.469 -6.629 -4.185 1.00 0.00 H new ATOM 62 N ASP A 5 -14.453 -4.110 0.181 1.00 0.00 N ATOM 63 CA ASP A 5 -13.668 -4.877 1.134 1.00 0.00 C ATOM 64 C ASP A 5 -13.105 -6.118 0.444 1.00 0.00 C ATOM 65 O ASP A 5 -13.120 -7.220 0.996 1.00 0.00 O ATOM 66 CB ASP A 5 -14.527 -5.282 2.336 1.00 0.00 C ATOM 67 CG ASP A 5 -15.828 -5.959 1.937 1.00 0.00 C ATOM 68 OD1 ASP A 5 -15.839 -7.192 1.748 1.00 0.00 O ATOM 69 OD2 ASP A 5 -16.853 -5.255 1.812 1.00 0.00 O ATOM 0 H ASP A 5 -15.386 -4.488 0.015 1.00 0.00 H new ATOM 0 HA ASP A 5 -12.846 -4.260 1.496 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -13.955 -5.955 2.974 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -14.752 -4.396 2.929 1.00 0.00 H new ATOM 74 N LEU A 6 -12.606 -5.915 -0.770 1.00 0.00 N ATOM 75 CA LEU A 6 -12.129 -7.004 -1.617 1.00 0.00 C ATOM 76 C LEU A 6 -10.999 -7.759 -0.932 1.00 0.00 C ATOM 77 O LEU A 6 -11.052 -8.983 -0.785 1.00 0.00 O ATOM 78 CB LEU A 6 -11.655 -6.453 -2.968 1.00 0.00 C ATOM 79 CG LEU A 6 -11.098 -7.494 -3.944 1.00 0.00 C ATOM 80 CD1 LEU A 6 -12.161 -8.521 -4.306 1.00 0.00 C ATOM 81 CD2 LEU A 6 -10.572 -6.814 -5.196 1.00 0.00 C ATOM 0 H LEU A 6 -12.520 -4.992 -1.195 1.00 0.00 H new ATOM 0 HA LEU A 6 -12.953 -7.697 -1.787 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -12.491 -5.942 -3.446 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -10.886 -5.703 -2.785 1.00 0.00 H new ATOM 0 HG LEU A 6 -10.275 -8.014 -3.455 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -11.742 -9.249 -5.000 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -12.496 -9.031 -3.403 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -13.007 -8.019 -4.775 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -10.179 -7.566 -5.881 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -11.381 -6.269 -5.681 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -9.777 -6.119 -4.926 1.00 0.00 H new ATOM 93 N PHE A 7 -9.992 -7.018 -0.515 1.00 0.00 N ATOM 94 CA PHE A 7 -8.895 -7.559 0.261 1.00 0.00 C ATOM 95 C PHE A 7 -8.175 -6.398 0.909 1.00 0.00 C ATOM 96 O PHE A 7 -7.502 -5.623 0.244 1.00 0.00 O ATOM 97 CB PHE A 7 -7.928 -8.359 -0.615 1.00 0.00 C ATOM 98 CG PHE A 7 -7.080 -9.343 0.149 1.00 0.00 C ATOM 99 CD1 PHE A 7 -7.110 -9.389 1.536 1.00 0.00 C ATOM 100 CD2 PHE A 7 -6.254 -10.225 -0.526 1.00 0.00 C ATOM 101 CE1 PHE A 7 -6.333 -10.294 2.231 1.00 0.00 C ATOM 102 CE2 PHE A 7 -5.474 -11.132 0.164 1.00 0.00 C ATOM 103 CZ PHE A 7 -5.514 -11.168 1.544 1.00 0.00 C ATOM 0 H PHE A 7 -9.912 -6.019 -0.706 1.00 0.00 H new ATOM 0 HA PHE A 7 -9.284 -8.245 1.014 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -8.499 -8.898 -1.371 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -7.274 -7.665 -1.144 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -7.749 -8.708 2.078 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -6.219 -10.204 -1.605 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -6.366 -10.318 3.310 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -4.833 -11.813 -0.376 1.00 0.00 H new ATOM 0 HZ PHE A 7 -4.906 -11.878 2.085 1.00 0.00 H new ATOM 113 N SER A 8 -8.303 -6.290 2.203 1.00 0.00 N ATOM 114 CA SER A 8 -7.851 -5.104 2.889 1.00 0.00 C ATOM 115 C SER A 8 -6.603 -5.381 3.704 1.00 0.00 C ATOM 116 O SER A 8 -6.467 -6.438 4.325 1.00 0.00 O ATOM 117 CB SER A 8 -8.975 -4.574 3.783 1.00 0.00 C ATOM 118 OG SER A 8 -8.584 -3.406 4.476 1.00 0.00 O ATOM 0 H SER A 8 -8.714 -7.004 2.804 1.00 0.00 H new ATOM 0 HA SER A 8 -7.593 -4.348 2.147 1.00 0.00 H new ATOM 0 HB2 SER A 8 -9.854 -4.359 3.175 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.264 -5.343 4.500 1.00 0.00 H new ATOM 0 HG SER A 8 -9.326 -3.094 5.036 1.00 0.00 H new ATOM 124 N TYR A 9 -5.681 -4.435 3.672 1.00 0.00 N ATOM 125 CA TYR A 9 -4.517 -4.479 4.530 1.00 0.00 C ATOM 126 C TYR A 9 -4.448 -3.205 5.348 1.00 0.00 C ATOM 127 O TYR A 9 -4.904 -2.149 4.906 1.00 0.00 O ATOM 128 CB TYR A 9 -3.216 -4.604 3.736 1.00 0.00 C ATOM 129 CG TYR A 9 -3.089 -5.827 2.857 1.00 0.00 C ATOM 130 CD1 TYR A 9 -3.523 -7.079 3.270 1.00 0.00 C ATOM 131 CD2 TYR A 9 -2.506 -5.717 1.608 1.00 0.00 C ATOM 132 CE1 TYR A 9 -3.380 -8.187 2.453 1.00 0.00 C ATOM 133 CE2 TYR A 9 -2.353 -6.812 0.788 1.00 0.00 C ATOM 134 CZ TYR A 9 -2.792 -8.048 1.213 1.00 0.00 C ATOM 135 OH TYR A 9 -2.636 -9.148 0.399 1.00 0.00 O ATOM 0 H TYR A 9 -5.720 -3.623 3.056 1.00 0.00 H new ATOM 0 HA TYR A 9 -4.619 -5.357 5.167 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.110 -3.718 3.109 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.383 -4.599 4.439 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -3.979 -7.190 4.243 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -2.163 -4.751 1.268 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.727 -9.155 2.784 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -1.892 -6.704 -0.183 1.00 0.00 H new ATOM 0 HH TYR A 9 -3.471 -9.661 0.379 1.00 0.00 H new ATOM 145 N GLN A 10 -3.875 -3.298 6.528 1.00 0.00 N ATOM 146 CA GLN A 10 -3.646 -2.122 7.340 1.00 0.00 C ATOM 147 C GLN A 10 -2.161 -1.820 7.351 1.00 0.00 C ATOM 148 O GLN A 10 -1.338 -2.723 7.508 1.00 0.00 O ATOM 149 CB GLN A 10 -4.162 -2.319 8.760 1.00 0.00 C ATOM 150 CG GLN A 10 -4.300 -1.014 9.521 1.00 0.00 C ATOM 151 CD GLN A 10 -4.775 -1.217 10.945 1.00 0.00 C ATOM 152 OE1 GLN A 10 -6.086 -1.216 11.140 1.00 0.00 O flip ATOM 153 NE2 GLN A 10 -3.973 -1.382 11.864 1.00 0.00 N flip ATOM 0 H GLN A 10 -3.560 -4.173 6.946 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.193 -1.282 6.912 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.131 -2.818 8.724 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.483 -2.979 9.300 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.338 -0.501 9.532 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -5.001 -0.365 8.997 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.971 -1.376 11.674 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.310 -1.525 12.816 1.00 0.00 H new ATOM 162 N ALA A 11 -1.825 -0.563 7.160 1.00 0.00 N ATOM 163 CA ALA A 11 -0.445 -0.150 7.013 1.00 0.00 C ATOM 164 C ALA A 11 0.323 -0.251 8.323 1.00 0.00 C ATOM 165 O ALA A 11 -0.118 0.234 9.363 1.00 0.00 O ATOM 166 CB ALA A 11 -0.401 1.264 6.485 1.00 0.00 C ATOM 0 H ALA A 11 -2.499 0.201 7.102 1.00 0.00 H new ATOM 0 HA ALA A 11 0.039 -0.825 6.306 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.637 1.578 6.373 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.900 1.306 5.517 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.908 1.929 7.184 1.00 0.00 H new ATOM 172 N LEU A 12 1.481 -0.883 8.239 1.00 0.00 N ATOM 173 CA LEU A 12 2.367 -1.072 9.376 1.00 0.00 C ATOM 174 C LEU A 12 3.196 0.179 9.636 1.00 0.00 C ATOM 175 O LEU A 12 3.627 0.429 10.762 1.00 0.00 O ATOM 176 CB LEU A 12 3.299 -2.252 9.099 1.00 0.00 C ATOM 177 CG LEU A 12 2.641 -3.625 9.157 1.00 0.00 C ATOM 178 CD1 LEU A 12 3.250 -4.551 8.123 1.00 0.00 C ATOM 179 CD2 LEU A 12 2.788 -4.218 10.546 1.00 0.00 C ATOM 0 H LEU A 12 1.837 -1.284 7.371 1.00 0.00 H new ATOM 0 HA LEU A 12 1.760 -1.272 10.259 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.742 -2.120 8.112 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.115 -2.227 9.821 1.00 0.00 H new ATOM 0 HG LEU A 12 1.580 -3.510 8.935 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.768 -5.527 8.179 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.104 -4.131 7.128 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.317 -4.662 8.317 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.314 -5.199 10.575 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.846 -4.319 10.788 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.310 -3.562 11.274 1.00 0.00 H new ATOM 191 N TYR A 13 3.436 0.950 8.581 1.00 0.00 N ATOM 192 CA TYR A 13 4.289 2.129 8.667 1.00 0.00 C ATOM 193 C TYR A 13 3.771 3.225 7.748 1.00 0.00 C ATOM 194 O TYR A 13 2.942 2.974 6.870 1.00 0.00 O ATOM 195 CB TYR A 13 5.730 1.792 8.250 1.00 0.00 C ATOM 196 CG TYR A 13 6.341 0.606 8.961 1.00 0.00 C ATOM 197 CD1 TYR A 13 6.963 0.749 10.194 1.00 0.00 C ATOM 198 CD2 TYR A 13 6.298 -0.661 8.392 1.00 0.00 C ATOM 199 CE1 TYR A 13 7.522 -0.338 10.840 1.00 0.00 C ATOM 200 CE2 TYR A 13 6.852 -1.749 9.031 1.00 0.00 C ATOM 201 CZ TYR A 13 7.463 -1.585 10.253 1.00 0.00 C ATOM 202 OH TYR A 13 8.015 -2.674 10.891 1.00 0.00 O ATOM 0 H TYR A 13 3.050 0.778 7.653 1.00 0.00 H new ATOM 0 HA TYR A 13 4.276 2.470 9.702 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.746 1.601 7.177 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.357 2.666 8.428 1.00 0.00 H new ATOM 0 HD1 TYR A 13 7.011 1.724 10.656 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.822 -0.795 7.432 1.00 0.00 H new ATOM 0 HE1 TYR A 13 8.002 -0.212 11.799 1.00 0.00 H new ATOM 0 HE2 TYR A 13 6.807 -2.727 8.574 1.00 0.00 H new ATOM 0 HH TYR A 13 7.885 -3.475 10.342 1.00 0.00 H new ATOM 212 N SER A 14 4.267 4.434 7.954 1.00 0.00 N ATOM 213 CA SER A 14 3.979 5.538 7.056 1.00 0.00 C ATOM 214 C SER A 14 5.046 5.589 5.967 1.00 0.00 C ATOM 215 O SER A 14 6.238 5.661 6.262 1.00 0.00 O ATOM 216 CB SER A 14 3.941 6.860 7.824 1.00 0.00 C ATOM 217 OG SER A 14 2.996 6.805 8.880 1.00 0.00 O ATOM 0 H SER A 14 4.873 4.675 8.738 1.00 0.00 H new ATOM 0 HA SER A 14 3.001 5.384 6.600 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.930 7.080 8.227 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.686 7.673 7.144 1.00 0.00 H new ATOM 0 HG SER A 14 2.227 7.372 8.661 1.00 0.00 H new ATOM 223 N TYR A 15 4.623 5.535 4.717 1.00 0.00 N ATOM 224 CA TYR A 15 5.559 5.481 3.607 1.00 0.00 C ATOM 225 C TYR A 15 5.271 6.572 2.594 1.00 0.00 C ATOM 226 O TYR A 15 4.124 6.787 2.195 1.00 0.00 O ATOM 227 CB TYR A 15 5.507 4.114 2.923 1.00 0.00 C ATOM 228 CG TYR A 15 6.452 3.980 1.752 1.00 0.00 C ATOM 229 CD1 TYR A 15 7.800 3.712 1.944 1.00 0.00 C ATOM 230 CD2 TYR A 15 5.989 4.119 0.451 1.00 0.00 C ATOM 231 CE1 TYR A 15 8.659 3.588 0.872 1.00 0.00 C ATOM 232 CE2 TYR A 15 6.842 3.996 -0.625 1.00 0.00 C ATOM 233 CZ TYR A 15 8.177 3.730 -0.410 1.00 0.00 C ATOM 234 OH TYR A 15 9.029 3.607 -1.483 1.00 0.00 O ATOM 0 H TYR A 15 3.640 5.527 4.445 1.00 0.00 H new ATOM 0 HA TYR A 15 6.559 5.639 4.012 1.00 0.00 H new ATOM 0 HB2 TYR A 15 5.741 3.342 3.656 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.489 3.929 2.579 1.00 0.00 H new ATOM 0 HD1 TYR A 15 8.182 3.599 2.948 1.00 0.00 H new ATOM 0 HD2 TYR A 15 4.943 4.327 0.279 1.00 0.00 H new ATOM 0 HE1 TYR A 15 9.706 3.380 1.038 1.00 0.00 H new ATOM 0 HE2 TYR A 15 6.466 4.108 -1.631 1.00 0.00 H new ATOM 0 HH TYR A 15 8.527 3.735 -2.315 1.00 0.00 H new ATOM 244 N ILE A 16 6.329 7.242 2.176 1.00 0.00 N ATOM 245 CA ILE A 16 6.240 8.265 1.157 1.00 0.00 C ATOM 246 C ILE A 16 6.666 7.678 -0.183 1.00 0.00 C ATOM 247 O ILE A 16 7.822 7.290 -0.361 1.00 0.00 O ATOM 248 CB ILE A 16 7.123 9.483 1.508 1.00 0.00 C ATOM 249 CG1 ILE A 16 6.628 10.145 2.799 1.00 0.00 C ATOM 250 CG2 ILE A 16 7.143 10.487 0.361 1.00 0.00 C ATOM 251 CD1 ILE A 16 5.182 10.595 2.740 1.00 0.00 C ATOM 0 H ILE A 16 7.272 7.091 2.534 1.00 0.00 H new ATOM 0 HA ILE A 16 5.207 8.609 1.098 1.00 0.00 H new ATOM 0 HB ILE A 16 8.143 9.133 1.667 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.747 9.444 3.625 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.258 11.007 3.019 1.00 0.00 H new ATOM 0 HG21 ILE A 16 7.771 11.336 0.631 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.543 10.010 -0.533 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.129 10.834 0.164 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.905 11.053 3.689 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.060 11.321 1.937 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.540 9.734 2.552 1.00 0.00 H new ATOM 263 N PRO A 17 5.717 7.566 -1.122 1.00 0.00 N ATOM 264 CA PRO A 17 5.961 6.995 -2.449 1.00 0.00 C ATOM 265 C PRO A 17 7.060 7.726 -3.203 1.00 0.00 C ATOM 266 O PRO A 17 7.177 8.951 -3.129 1.00 0.00 O ATOM 267 CB PRO A 17 4.620 7.170 -3.169 1.00 0.00 C ATOM 268 CG PRO A 17 3.618 7.288 -2.080 1.00 0.00 C ATOM 269 CD PRO A 17 4.321 7.988 -0.958 1.00 0.00 C ATOM 0 HA PRO A 17 6.296 5.960 -2.386 1.00 0.00 H new ATOM 0 HB2 PRO A 17 4.623 8.058 -3.801 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.404 6.319 -3.815 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.746 7.853 -2.409 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.262 6.306 -1.767 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.216 9.071 -1.030 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.923 7.693 0.013 1.00 0.00 H new ATOM 277 N GLN A 18 7.859 6.964 -3.930 1.00 0.00 N ATOM 278 CA GLN A 18 8.944 7.523 -4.716 1.00 0.00 C ATOM 279 C GLN A 18 8.417 7.915 -6.079 1.00 0.00 C ATOM 280 O GLN A 18 8.972 8.777 -6.765 1.00 0.00 O ATOM 281 CB GLN A 18 10.076 6.504 -4.866 1.00 0.00 C ATOM 282 CG GLN A 18 10.593 5.952 -3.546 1.00 0.00 C ATOM 283 CD GLN A 18 11.257 7.007 -2.684 1.00 0.00 C ATOM 284 OE1 GLN A 18 10.612 7.646 -1.853 1.00 0.00 O ATOM 285 NE2 GLN A 18 12.552 7.195 -2.875 1.00 0.00 N ATOM 0 H GLN A 18 7.775 5.949 -3.992 1.00 0.00 H new ATOM 0 HA GLN A 18 9.339 8.402 -4.208 1.00 0.00 H new ATOM 0 HB2 GLN A 18 9.726 5.676 -5.482 1.00 0.00 H new ATOM 0 HB3 GLN A 18 10.903 6.971 -5.401 1.00 0.00 H new ATOM 0 HG2 GLN A 18 9.764 5.508 -2.994 1.00 0.00 H new ATOM 0 HG3 GLN A 18 11.306 5.153 -3.747 1.00 0.00 H new ATOM 0 HE21 GLN A 18 13.050 6.644 -3.574 1.00 0.00 H new ATOM 0 HE22 GLN A 18 13.053 7.891 -2.323 1.00 0.00 H new ATOM 294 N ASN A 19 7.326 7.274 -6.444 1.00 0.00 N ATOM 295 CA ASN A 19 6.695 7.468 -7.731 1.00 0.00 C ATOM 296 C ASN A 19 5.314 8.076 -7.552 1.00 0.00 C ATOM 297 O ASN A 19 4.672 7.893 -6.517 1.00 0.00 O ATOM 298 CB ASN A 19 6.571 6.121 -8.434 1.00 0.00 C ATOM 299 CG ASN A 19 7.916 5.520 -8.783 1.00 0.00 C ATOM 300 OD1 ASN A 19 8.449 5.744 -9.867 1.00 0.00 O ATOM 301 ND2 ASN A 19 8.473 4.750 -7.860 1.00 0.00 N ATOM 0 H ASN A 19 6.848 6.597 -5.849 1.00 0.00 H new ATOM 0 HA ASN A 19 7.303 8.146 -8.331 1.00 0.00 H new ATOM 0 HB2 ASN A 19 6.024 5.430 -7.793 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.985 6.243 -9.345 1.00 0.00 H new ATOM 0 HD21 ASN A 19 9.379 4.317 -8.036 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.995 4.590 -6.973 1.00 0.00 H new ATOM 308 N ASP A 20 4.858 8.789 -8.571 1.00 0.00 N ATOM 309 CA ASP A 20 3.540 9.418 -8.547 1.00 0.00 C ATOM 310 C ASP A 20 2.455 8.371 -8.803 1.00 0.00 C ATOM 311 O ASP A 20 1.264 8.625 -8.635 1.00 0.00 O ATOM 312 CB ASP A 20 3.480 10.538 -9.595 1.00 0.00 C ATOM 313 CG ASP A 20 2.160 11.287 -9.590 1.00 0.00 C ATOM 314 OD1 ASP A 20 1.751 11.775 -8.518 1.00 0.00 O ATOM 315 OD2 ASP A 20 1.534 11.409 -10.669 1.00 0.00 O ATOM 0 H ASP A 20 5.383 8.949 -9.431 1.00 0.00 H new ATOM 0 HA ASP A 20 3.365 9.855 -7.564 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.291 11.242 -9.412 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.645 10.111 -10.584 1.00 0.00 H new ATOM 320 N ASP A 21 2.897 7.182 -9.194 1.00 0.00 N ATOM 321 CA ASP A 21 2.001 6.071 -9.490 1.00 0.00 C ATOM 322 C ASP A 21 1.624 5.320 -8.219 1.00 0.00 C ATOM 323 O ASP A 21 0.684 4.521 -8.212 1.00 0.00 O ATOM 324 CB ASP A 21 2.680 5.092 -10.456 1.00 0.00 C ATOM 325 CG ASP A 21 3.120 5.736 -11.753 1.00 0.00 C ATOM 326 OD1 ASP A 21 4.177 6.396 -11.765 1.00 0.00 O ATOM 327 OD2 ASP A 21 2.423 5.575 -12.774 1.00 0.00 O ATOM 0 H ASP A 21 3.885 6.961 -9.315 1.00 0.00 H new ATOM 0 HA ASP A 21 1.099 6.482 -9.944 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.548 4.651 -9.965 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.992 4.277 -10.679 1.00 0.00 H new ATOM 332 N GLU A 22 2.356 5.583 -7.148 1.00 0.00 N ATOM 333 CA GLU A 22 2.219 4.804 -5.926 1.00 0.00 C ATOM 334 C GLU A 22 1.256 5.450 -4.932 1.00 0.00 C ATOM 335 O GLU A 22 0.920 6.629 -5.039 1.00 0.00 O ATOM 336 CB GLU A 22 3.590 4.602 -5.284 1.00 0.00 C ATOM 337 CG GLU A 22 4.512 3.712 -6.106 1.00 0.00 C ATOM 338 CD GLU A 22 5.958 3.765 -5.650 1.00 0.00 C ATOM 339 OE1 GLU A 22 6.485 4.879 -5.431 1.00 0.00 O ATOM 340 OE2 GLU A 22 6.583 2.692 -5.533 1.00 0.00 O ATOM 0 H GLU A 22 3.050 6.329 -7.099 1.00 0.00 H new ATOM 0 HA GLU A 22 1.796 3.837 -6.197 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.064 5.573 -5.142 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.460 4.164 -4.295 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.158 2.683 -6.050 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.457 4.011 -7.153 1.00 0.00 H new ATOM 347 N LEU A 23 0.825 4.650 -3.965 1.00 0.00 N ATOM 348 CA LEU A 23 -0.164 5.060 -2.976 1.00 0.00 C ATOM 349 C LEU A 23 0.537 5.476 -1.688 1.00 0.00 C ATOM 350 O LEU A 23 1.483 4.818 -1.253 1.00 0.00 O ATOM 351 CB LEU A 23 -1.128 3.888 -2.705 1.00 0.00 C ATOM 352 CG LEU A 23 -2.518 4.260 -2.165 1.00 0.00 C ATOM 353 CD1 LEU A 23 -2.456 4.683 -0.708 1.00 0.00 C ATOM 354 CD2 LEU A 23 -3.129 5.357 -3.009 1.00 0.00 C ATOM 0 H LEU A 23 1.154 3.692 -3.844 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.731 5.910 -3.355 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.259 3.332 -3.633 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.654 3.213 -1.993 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.149 3.373 -2.224 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.457 4.939 -0.360 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.062 3.863 -0.108 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.805 5.551 -0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.114 5.612 -2.617 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.488 6.238 -2.981 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.227 5.012 -4.038 1.00 0.00 H new ATOM 366 N GLU A 24 0.070 6.558 -1.079 1.00 0.00 N ATOM 367 CA GLU A 24 0.665 7.050 0.155 1.00 0.00 C ATOM 368 C GLU A 24 0.221 6.229 1.345 1.00 0.00 C ATOM 369 O GLU A 24 -0.970 6.108 1.626 1.00 0.00 O ATOM 370 CB GLU A 24 0.327 8.517 0.385 1.00 0.00 C ATOM 371 CG GLU A 24 1.311 9.447 -0.280 1.00 0.00 C ATOM 372 CD GLU A 24 1.001 10.904 -0.026 1.00 0.00 C ATOM 373 OE1 GLU A 24 0.075 11.437 -0.669 1.00 0.00 O ATOM 374 OE2 GLU A 24 1.688 11.528 0.807 1.00 0.00 O ATOM 0 H GLU A 24 -0.717 7.110 -1.419 1.00 0.00 H new ATOM 0 HA GLU A 24 1.746 6.954 0.050 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.674 8.720 0.005 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.308 8.719 1.456 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.315 9.225 0.081 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.311 9.262 -1.354 1.00 0.00 H new ATOM 381 N LEU A 25 1.191 5.686 2.051 1.00 0.00 N ATOM 382 CA LEU A 25 0.906 4.807 3.168 1.00 0.00 C ATOM 383 C LEU A 25 1.100 5.549 4.477 1.00 0.00 C ATOM 384 O LEU A 25 2.027 6.343 4.619 1.00 0.00 O ATOM 385 CB LEU A 25 1.802 3.571 3.117 1.00 0.00 C ATOM 386 CG LEU A 25 1.692 2.752 1.829 1.00 0.00 C ATOM 387 CD1 LEU A 25 2.767 1.680 1.783 1.00 0.00 C ATOM 388 CD2 LEU A 25 0.311 2.126 1.713 1.00 0.00 C ATOM 0 H LEU A 25 2.184 5.837 1.872 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.132 4.481 3.101 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.838 3.885 3.244 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.558 2.927 3.962 1.00 0.00 H new ATOM 0 HG LEU A 25 1.840 3.423 0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.672 1.109 0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.750 2.149 1.820 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.651 1.012 2.637 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.250 1.547 0.791 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.136 1.470 2.566 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.445 2.912 1.699 1.00 0.00 H new ATOM 400 N ARG A 26 0.219 5.297 5.420 1.00 0.00 N ATOM 401 CA ARG A 26 0.302 5.905 6.735 1.00 0.00 C ATOM 402 C ARG A 26 0.170 4.839 7.804 1.00 0.00 C ATOM 403 O ARG A 26 -0.617 3.911 7.661 1.00 0.00 O ATOM 404 CB ARG A 26 -0.806 6.939 6.913 1.00 0.00 C ATOM 405 CG ARG A 26 -1.038 7.323 8.362 1.00 0.00 C ATOM 406 CD ARG A 26 -2.431 7.872 8.582 1.00 0.00 C ATOM 407 NE ARG A 26 -2.791 7.821 9.997 1.00 0.00 N ATOM 408 CZ ARG A 26 -3.778 7.072 10.488 1.00 0.00 C ATOM 409 NH1 ARG A 26 -4.584 6.404 9.667 1.00 0.00 N ATOM 410 NH2 ARG A 26 -3.976 7.008 11.798 1.00 0.00 N ATOM 0 H ARG A 26 -0.574 4.667 5.300 1.00 0.00 H new ATOM 0 HA ARG A 26 1.269 6.399 6.828 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.555 7.833 6.343 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.732 6.545 6.496 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.887 6.451 8.998 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -0.302 8.068 8.663 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -2.482 8.901 8.226 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.150 7.297 7.998 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.254 8.393 10.649 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.448 6.464 8.658 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.338 5.832 10.047 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -3.372 7.533 12.431 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -4.732 6.434 12.172 1.00 0.00 H new ATOM 424 N ASP A 27 0.930 4.994 8.871 1.00 0.00 N ATOM 425 CA ASP A 27 0.888 4.071 10.003 1.00 0.00 C ATOM 426 C ASP A 27 -0.538 3.904 10.521 1.00 0.00 C ATOM 427 O ASP A 27 -1.119 4.827 11.096 1.00 0.00 O ATOM 428 CB ASP A 27 1.809 4.565 11.129 1.00 0.00 C ATOM 429 CG ASP A 27 1.643 3.782 12.419 1.00 0.00 C ATOM 430 OD1 ASP A 27 2.219 2.680 12.529 1.00 0.00 O ATOM 431 OD2 ASP A 27 0.956 4.276 13.340 1.00 0.00 O ATOM 0 H ASP A 27 1.595 5.760 8.983 1.00 0.00 H new ATOM 0 HA ASP A 27 1.241 3.098 9.660 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.846 4.496 10.799 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.605 5.618 11.321 1.00 0.00 H new ATOM 436 N GLY A 28 -1.102 2.729 10.275 1.00 0.00 N ATOM 437 CA GLY A 28 -2.428 2.417 10.762 1.00 0.00 C ATOM 438 C GLY A 28 -3.521 2.673 9.739 1.00 0.00 C ATOM 439 O GLY A 28 -4.687 2.364 9.984 1.00 0.00 O ATOM 0 H GLY A 28 -0.659 1.981 9.742 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.460 1.370 11.063 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.629 3.011 11.654 1.00 0.00 H new ATOM 443 N ASP A 29 -3.156 3.243 8.599 1.00 0.00 N ATOM 444 CA ASP A 29 -4.133 3.541 7.556 1.00 0.00 C ATOM 445 C ASP A 29 -4.392 2.295 6.718 1.00 0.00 C ATOM 446 O ASP A 29 -3.520 1.441 6.580 1.00 0.00 O ATOM 447 CB ASP A 29 -3.653 4.687 6.667 1.00 0.00 C ATOM 448 CG ASP A 29 -4.803 5.534 6.153 1.00 0.00 C ATOM 449 OD1 ASP A 29 -5.172 6.508 6.851 1.00 0.00 O ATOM 450 OD2 ASP A 29 -5.342 5.233 5.068 1.00 0.00 O ATOM 0 H ASP A 29 -2.198 3.508 8.372 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.063 3.852 8.033 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.963 5.316 7.229 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.097 4.281 5.822 1.00 0.00 H new ATOM 455 N ILE A 30 -5.590 2.181 6.175 1.00 0.00 N ATOM 456 CA ILE A 30 -5.989 0.976 5.467 1.00 0.00 C ATOM 457 C ILE A 30 -5.951 1.165 3.956 1.00 0.00 C ATOM 458 O ILE A 30 -6.321 2.218 3.439 1.00 0.00 O ATOM 459 CB ILE A 30 -7.405 0.526 5.894 1.00 0.00 C ATOM 460 CG1 ILE A 30 -7.375 -0.125 7.276 1.00 0.00 C ATOM 461 CG2 ILE A 30 -8.033 -0.407 4.872 1.00 0.00 C ATOM 462 CD1 ILE A 30 -7.325 0.866 8.417 1.00 0.00 C ATOM 0 H ILE A 30 -6.305 2.908 6.210 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.269 0.203 5.734 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.028 1.419 5.947 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.259 -0.753 7.391 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.507 -0.782 7.339 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.027 -0.700 5.209 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -8.112 0.104 3.913 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -7.411 -1.295 4.760 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.306 0.329 9.365 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.427 1.478 8.329 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -8.206 1.507 8.381 1.00 0.00 H new ATOM 474 N VAL A 31 -5.486 0.140 3.262 1.00 0.00 N ATOM 475 CA VAL A 31 -5.555 0.091 1.811 1.00 0.00 C ATOM 476 C VAL A 31 -6.154 -1.231 1.351 1.00 0.00 C ATOM 477 O VAL A 31 -5.706 -2.307 1.758 1.00 0.00 O ATOM 478 CB VAL A 31 -4.175 0.298 1.144 1.00 0.00 C ATOM 479 CG1 VAL A 31 -4.215 -0.108 -0.324 1.00 0.00 C ATOM 480 CG2 VAL A 31 -3.740 1.745 1.264 1.00 0.00 C ATOM 0 H VAL A 31 -5.051 -0.679 3.687 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.197 0.915 1.500 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.454 -0.335 1.661 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.233 0.047 -0.771 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.488 -1.160 -0.403 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.953 0.499 -0.849 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.767 1.873 0.789 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.471 2.387 0.772 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.669 2.017 2.317 1.00 0.00 H new ATOM 490 N ASP A 32 -7.177 -1.138 0.520 1.00 0.00 N ATOM 491 CA ASP A 32 -7.782 -2.308 -0.097 1.00 0.00 C ATOM 492 C ASP A 32 -7.026 -2.640 -1.364 1.00 0.00 C ATOM 493 O ASP A 32 -6.912 -1.804 -2.261 1.00 0.00 O ATOM 494 CB ASP A 32 -9.244 -2.033 -0.438 1.00 0.00 C ATOM 495 CG ASP A 32 -9.951 -3.220 -1.071 1.00 0.00 C ATOM 496 OD1 ASP A 32 -10.071 -4.275 -0.416 1.00 0.00 O ATOM 497 OD2 ASP A 32 -10.409 -3.088 -2.228 1.00 0.00 O ATOM 0 H ASP A 32 -7.611 -0.254 0.254 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.736 -3.145 0.600 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.773 -1.747 0.471 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.297 -1.183 -1.119 1.00 0.00 H new ATOM 502 N VAL A 33 -6.484 -3.833 -1.429 1.00 0.00 N ATOM 503 CA VAL A 33 -5.747 -4.252 -2.596 1.00 0.00 C ATOM 504 C VAL A 33 -6.682 -4.897 -3.612 1.00 0.00 C ATOM 505 O VAL A 33 -7.367 -5.882 -3.323 1.00 0.00 O ATOM 506 CB VAL A 33 -4.589 -5.209 -2.228 1.00 0.00 C ATOM 507 CG1 VAL A 33 -5.055 -6.357 -1.354 1.00 0.00 C ATOM 508 CG2 VAL A 33 -3.912 -5.728 -3.482 1.00 0.00 C ATOM 0 H VAL A 33 -6.540 -4.530 -0.687 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.303 -3.364 -3.045 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.864 -4.638 -1.648 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.209 -7.003 -1.120 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.476 -5.963 -0.429 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.815 -6.932 -1.883 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.100 -6.400 -3.205 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.638 -6.267 -4.091 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.511 -4.890 -4.053 1.00 0.00 H new ATOM 518 N MET A 34 -6.690 -4.340 -4.812 1.00 0.00 N ATOM 519 CA MET A 34 -7.557 -4.821 -5.866 1.00 0.00 C ATOM 520 C MET A 34 -6.778 -5.748 -6.787 1.00 0.00 C ATOM 521 O MET A 34 -7.311 -6.752 -7.261 1.00 0.00 O ATOM 522 CB MET A 34 -8.187 -3.646 -6.634 1.00 0.00 C ATOM 523 CG MET A 34 -7.312 -3.009 -7.710 1.00 0.00 C ATOM 524 SD MET A 34 -7.383 -3.910 -9.280 1.00 0.00 S ATOM 525 CE MET A 34 -6.322 -2.914 -10.318 1.00 0.00 C ATOM 0 H MET A 34 -6.101 -3.551 -5.078 1.00 0.00 H new ATOM 0 HA MET A 34 -8.377 -5.390 -5.427 1.00 0.00 H new ATOM 0 HB2 MET A 34 -9.108 -3.994 -7.101 1.00 0.00 H new ATOM 0 HB3 MET A 34 -8.466 -2.875 -5.916 1.00 0.00 H new ATOM 0 HG2 MET A 34 -7.630 -1.979 -7.871 1.00 0.00 H new ATOM 0 HG3 MET A 34 -6.280 -2.973 -7.361 1.00 0.00 H new ATOM 0 HE1 MET A 34 -6.820 -2.721 -11.268 1.00 0.00 H new ATOM 0 HE2 MET A 34 -6.110 -1.968 -9.820 1.00 0.00 H new ATOM 0 HE3 MET A 34 -5.388 -3.445 -10.499 1.00 0.00 H new ATOM 535 N GLU A 35 -5.504 -5.434 -7.016 1.00 0.00 N ATOM 536 CA GLU A 35 -4.673 -6.269 -7.862 1.00 0.00 C ATOM 537 C GLU A 35 -3.452 -6.747 -7.105 1.00 0.00 C ATOM 538 O GLU A 35 -2.741 -5.966 -6.470 1.00 0.00 O ATOM 539 CB GLU A 35 -4.261 -5.524 -9.117 1.00 0.00 C ATOM 540 CG GLU A 35 -3.675 -6.425 -10.177 1.00 0.00 C ATOM 541 CD GLU A 35 -3.333 -5.675 -11.442 1.00 0.00 C ATOM 542 OE1 GLU A 35 -2.201 -5.170 -11.548 1.00 0.00 O ATOM 543 OE2 GLU A 35 -4.199 -5.587 -12.339 1.00 0.00 O ATOM 0 H GLU A 35 -5.034 -4.615 -6.629 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.258 -7.139 -8.158 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.129 -5.008 -9.527 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.530 -4.759 -8.855 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.777 -6.904 -9.787 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.385 -7.219 -10.409 1.00 0.00 H new ATOM 550 N LYS A 36 -3.227 -8.034 -7.185 1.00 0.00 N ATOM 551 CA LYS A 36 -2.154 -8.678 -6.448 1.00 0.00 C ATOM 552 C LYS A 36 -1.061 -9.162 -7.388 1.00 0.00 C ATOM 553 O LYS A 36 -1.268 -10.077 -8.182 1.00 0.00 O ATOM 554 CB LYS A 36 -2.712 -9.841 -5.636 1.00 0.00 C ATOM 555 CG LYS A 36 -3.700 -9.405 -4.567 1.00 0.00 C ATOM 556 CD LYS A 36 -4.365 -10.597 -3.911 1.00 0.00 C ATOM 557 CE LYS A 36 -5.144 -11.420 -4.924 1.00 0.00 C ATOM 558 NZ LYS A 36 -6.016 -12.432 -4.274 1.00 0.00 N ATOM 0 H LYS A 36 -3.779 -8.670 -7.761 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.712 -7.948 -5.770 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.202 -10.544 -6.310 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.887 -10.375 -5.164 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.183 -8.813 -3.811 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.459 -8.762 -5.012 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.609 -11.222 -3.435 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.037 -10.254 -3.124 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.755 -10.756 -5.536 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.447 -11.921 -5.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.527 -12.969 -5.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.432 -13.083 -3.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.700 -11.954 -3.653 1.00 0.00 H new ATOM 572 N CYS A 37 0.093 -8.528 -7.300 1.00 0.00 N ATOM 573 CA CYS A 37 1.230 -8.886 -8.127 1.00 0.00 C ATOM 574 C CYS A 37 2.044 -9.991 -7.462 1.00 0.00 C ATOM 575 O CYS A 37 2.029 -10.141 -6.236 1.00 0.00 O ATOM 576 CB CYS A 37 2.104 -7.655 -8.343 1.00 0.00 C ATOM 577 SG CYS A 37 1.180 -6.176 -8.809 1.00 0.00 S ATOM 0 H CYS A 37 0.268 -7.755 -6.658 1.00 0.00 H new ATOM 0 HA CYS A 37 0.871 -9.252 -9.089 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.660 -7.451 -7.428 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.837 -7.873 -9.120 1.00 0.00 H new ATOM 0 HG CYS A 37 1.356 -5.253 -7.910 1.00 0.00 H new ATOM 583 N ASP A 38 2.755 -10.758 -8.281 1.00 0.00 N ATOM 584 CA ASP A 38 3.571 -11.871 -7.797 1.00 0.00 C ATOM 585 C ASP A 38 4.796 -11.365 -7.058 1.00 0.00 C ATOM 586 O ASP A 38 5.407 -12.094 -6.277 1.00 0.00 O ATOM 587 CB ASP A 38 4.028 -12.758 -8.959 1.00 0.00 C ATOM 588 CG ASP A 38 2.893 -13.497 -9.628 1.00 0.00 C ATOM 589 OD1 ASP A 38 2.483 -14.557 -9.108 1.00 0.00 O ATOM 590 OD2 ASP A 38 2.419 -13.030 -10.684 1.00 0.00 O ATOM 0 H ASP A 38 2.784 -10.629 -9.292 1.00 0.00 H new ATOM 0 HA ASP A 38 2.952 -12.454 -7.115 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.537 -12.141 -9.699 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.756 -13.481 -8.591 1.00 0.00 H new ATOM 595 N ASP A 39 5.160 -10.119 -7.330 1.00 0.00 N ATOM 596 CA ASP A 39 6.335 -9.508 -6.730 1.00 0.00 C ATOM 597 C ASP A 39 6.060 -8.994 -5.317 1.00 0.00 C ATOM 598 O ASP A 39 6.988 -8.637 -4.593 1.00 0.00 O ATOM 599 CB ASP A 39 6.815 -8.364 -7.621 1.00 0.00 C ATOM 600 CG ASP A 39 5.707 -7.387 -7.952 1.00 0.00 C ATOM 601 OD1 ASP A 39 5.139 -6.784 -7.026 1.00 0.00 O ATOM 602 OD2 ASP A 39 5.374 -7.249 -9.149 1.00 0.00 O ATOM 0 H ASP A 39 4.652 -9.508 -7.969 1.00 0.00 H new ATOM 0 HA ASP A 39 7.109 -10.271 -6.648 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.626 -7.834 -7.122 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.223 -8.773 -8.545 1.00 0.00 H new ATOM 607 N GLY A 40 4.793 -8.973 -4.911 1.00 0.00 N ATOM 608 CA GLY A 40 4.474 -8.617 -3.540 1.00 0.00 C ATOM 609 C GLY A 40 4.065 -7.167 -3.379 1.00 0.00 C ATOM 610 O GLY A 40 3.544 -6.775 -2.332 1.00 0.00 O ATOM 0 H GLY A 40 3.990 -9.194 -5.500 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.667 -9.257 -3.184 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.340 -8.816 -2.909 1.00 0.00 H new ATOM 614 N TRP A 41 4.306 -6.358 -4.396 1.00 0.00 N ATOM 615 CA TRP A 41 3.879 -4.972 -4.365 1.00 0.00 C ATOM 616 C TRP A 41 2.532 -4.876 -5.065 1.00 0.00 C ATOM 617 O TRP A 41 2.417 -5.130 -6.264 1.00 0.00 O ATOM 618 CB TRP A 41 4.914 -4.063 -5.026 1.00 0.00 C ATOM 619 CG TRP A 41 6.334 -4.526 -4.835 1.00 0.00 C ATOM 620 CD1 TRP A 41 7.221 -4.834 -5.826 1.00 0.00 C ATOM 621 CD2 TRP A 41 7.030 -4.750 -3.592 1.00 0.00 C ATOM 622 NE1 TRP A 41 8.416 -5.234 -5.285 1.00 0.00 N ATOM 623 CE2 TRP A 41 8.326 -5.191 -3.922 1.00 0.00 C ATOM 624 CE3 TRP A 41 6.691 -4.627 -2.233 1.00 0.00 C ATOM 625 CZ2 TRP A 41 9.279 -5.501 -2.956 1.00 0.00 C ATOM 626 CZ3 TRP A 41 7.641 -4.936 -1.280 1.00 0.00 C ATOM 627 CH2 TRP A 41 8.918 -5.368 -1.644 1.00 0.00 C ATOM 0 H TRP A 41 4.792 -6.636 -5.248 1.00 0.00 H new ATOM 0 HA TRP A 41 3.782 -4.636 -3.333 1.00 0.00 H new ATOM 0 HB2 TRP A 41 4.702 -4.001 -6.093 1.00 0.00 H new ATOM 0 HB3 TRP A 41 4.812 -3.056 -4.622 1.00 0.00 H new ATOM 0 HD1 TRP A 41 7.012 -4.772 -6.884 1.00 0.00 H new ATOM 0 HE1 TRP A 41 9.240 -5.518 -5.815 1.00 0.00 H new ATOM 0 HE3 TRP A 41 5.705 -4.297 -1.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 10.268 -5.835 -3.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 7.392 -4.842 -0.233 1.00 0.00 H new ATOM 0 HH2 TRP A 41 9.636 -5.602 -0.872 1.00 0.00 H new ATOM 638 N PHE A 42 1.522 -4.520 -4.304 1.00 0.00 N ATOM 639 CA PHE A 42 0.146 -4.697 -4.724 1.00 0.00 C ATOM 640 C PHE A 42 -0.477 -3.392 -5.211 1.00 0.00 C ATOM 641 O PHE A 42 0.067 -2.314 -5.006 1.00 0.00 O ATOM 642 CB PHE A 42 -0.668 -5.258 -3.562 1.00 0.00 C ATOM 643 CG PHE A 42 -0.140 -6.552 -3.005 1.00 0.00 C ATOM 644 CD1 PHE A 42 0.077 -7.646 -3.827 1.00 0.00 C ATOM 645 CD2 PHE A 42 0.115 -6.676 -1.651 1.00 0.00 C ATOM 646 CE1 PHE A 42 0.541 -8.837 -3.307 1.00 0.00 C ATOM 647 CE2 PHE A 42 0.583 -7.864 -1.126 1.00 0.00 C ATOM 648 CZ PHE A 42 0.796 -8.947 -1.956 1.00 0.00 C ATOM 0 H PHE A 42 1.628 -4.101 -3.380 1.00 0.00 H new ATOM 0 HA PHE A 42 0.137 -5.394 -5.562 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -0.698 -4.517 -2.763 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.695 -5.411 -3.893 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -0.119 -7.566 -4.886 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.054 -5.833 -0.997 1.00 0.00 H new ATOM 0 HE1 PHE A 42 0.704 -9.683 -3.958 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.782 -7.946 -0.068 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.161 -9.878 -1.548 1.00 0.00 H new ATOM 658 N VAL A 43 -1.617 -3.510 -5.876 1.00 0.00 N ATOM 659 CA VAL A 43 -2.359 -2.356 -6.360 1.00 0.00 C ATOM 660 C VAL A 43 -3.696 -2.240 -5.644 1.00 0.00 C ATOM 661 O VAL A 43 -4.410 -3.227 -5.500 1.00 0.00 O ATOM 662 CB VAL A 43 -2.593 -2.446 -7.883 1.00 0.00 C ATOM 663 CG1 VAL A 43 -3.836 -1.680 -8.307 1.00 0.00 C ATOM 664 CG2 VAL A 43 -1.402 -1.874 -8.596 1.00 0.00 C ATOM 0 H VAL A 43 -2.052 -4.406 -6.095 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.763 -1.468 -6.150 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.735 -3.495 -8.142 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.967 -1.767 -9.386 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.708 -2.093 -7.801 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.725 -0.629 -8.039 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.559 -1.934 -9.673 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.270 -0.832 -8.306 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.510 -2.441 -8.328 1.00 0.00 H new ATOM 674 N GLY A 44 -4.036 -1.035 -5.213 1.00 0.00 N ATOM 675 CA GLY A 44 -5.304 -0.830 -4.542 1.00 0.00 C ATOM 676 C GLY A 44 -5.572 0.625 -4.217 1.00 0.00 C ATOM 677 O GLY A 44 -5.056 1.524 -4.885 1.00 0.00 O ATOM 0 H GLY A 44 -3.461 -0.199 -5.315 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.108 -1.210 -5.172 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.319 -1.411 -3.620 1.00 0.00 H new ATOM 681 N THR A 45 -6.379 0.855 -3.192 1.00 0.00 N ATOM 682 CA THR A 45 -6.896 2.178 -2.905 1.00 0.00 C ATOM 683 C THR A 45 -6.769 2.524 -1.422 1.00 0.00 C ATOM 684 O THR A 45 -6.941 1.665 -0.557 1.00 0.00 O ATOM 685 CB THR A 45 -8.371 2.249 -3.333 1.00 0.00 C ATOM 686 OG1 THR A 45 -8.474 1.975 -4.736 1.00 0.00 O ATOM 687 CG2 THR A 45 -8.985 3.604 -3.035 1.00 0.00 C ATOM 0 H THR A 45 -6.690 0.133 -2.542 1.00 0.00 H new ATOM 0 HA THR A 45 -6.307 2.904 -3.465 1.00 0.00 H new ATOM 0 HB THR A 45 -8.920 1.503 -2.759 1.00 0.00 H new ATOM 0 HG1 THR A 45 -9.414 2.018 -5.010 1.00 0.00 H new ATOM 0 HG21 THR A 45 -10.027 3.609 -3.354 1.00 0.00 H new ATOM 0 HG22 THR A 45 -8.932 3.800 -1.964 1.00 0.00 H new ATOM 0 HG23 THR A 45 -8.437 4.378 -3.573 1.00 0.00 H new ATOM 695 N SER A 46 -6.475 3.786 -1.141 1.00 0.00 N ATOM 696 CA SER A 46 -6.397 4.270 0.226 1.00 0.00 C ATOM 697 C SER A 46 -7.797 4.353 0.824 1.00 0.00 C ATOM 698 O SER A 46 -8.713 4.866 0.192 1.00 0.00 O ATOM 699 CB SER A 46 -5.739 5.651 0.260 1.00 0.00 C ATOM 700 OG SER A 46 -5.695 6.158 1.583 1.00 0.00 O ATOM 0 H SER A 46 -6.286 4.496 -1.849 1.00 0.00 H new ATOM 0 HA SER A 46 -5.794 3.576 0.812 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.728 5.587 -0.143 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.294 6.338 -0.379 1.00 0.00 H new ATOM 0 HG SER A 46 -4.912 6.739 1.685 1.00 0.00 H new ATOM 706 N ARG A 47 -7.961 3.840 2.035 1.00 0.00 N ATOM 707 CA ARG A 47 -9.255 3.871 2.714 1.00 0.00 C ATOM 708 C ARG A 47 -9.606 5.297 3.128 1.00 0.00 C ATOM 709 O ARG A 47 -10.774 5.684 3.142 1.00 0.00 O ATOM 710 CB ARG A 47 -9.226 2.982 3.958 1.00 0.00 C ATOM 711 CG ARG A 47 -10.593 2.638 4.511 1.00 0.00 C ATOM 712 CD ARG A 47 -10.450 1.790 5.758 1.00 0.00 C ATOM 713 NE ARG A 47 -11.735 1.344 6.294 1.00 0.00 N ATOM 714 CZ ARG A 47 -11.932 1.016 7.568 1.00 0.00 C ATOM 715 NH1 ARG A 47 -10.961 1.175 8.461 1.00 0.00 N ATOM 716 NH2 ARG A 47 -13.108 0.542 7.951 1.00 0.00 N ATOM 0 H ARG A 47 -7.215 3.396 2.571 1.00 0.00 H new ATOM 0 HA ARG A 47 -10.009 3.500 2.020 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -8.701 2.057 3.717 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -8.648 3.483 4.735 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -11.141 3.551 4.743 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -11.173 2.101 3.761 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -9.835 0.919 5.530 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -9.923 2.362 6.521 1.00 0.00 H new ATOM 0 HE ARG A 47 -12.527 1.281 5.654 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.058 1.551 8.171 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.119 0.922 9.436 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -13.859 0.430 7.270 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -13.263 0.289 8.927 1.00 0.00 H new ATOM 730 N ARG A 48 -8.580 6.069 3.465 1.00 0.00 N ATOM 731 CA ARG A 48 -8.763 7.421 3.975 1.00 0.00 C ATOM 732 C ARG A 48 -9.116 8.410 2.872 1.00 0.00 C ATOM 733 O ARG A 48 -10.082 9.167 2.987 1.00 0.00 O ATOM 734 CB ARG A 48 -7.481 7.874 4.675 1.00 0.00 C ATOM 735 CG ARG A 48 -7.468 9.342 5.045 1.00 0.00 C ATOM 736 CD ARG A 48 -6.159 9.720 5.699 1.00 0.00 C ATOM 737 NE ARG A 48 -6.015 9.092 7.003 1.00 0.00 N ATOM 738 CZ ARG A 48 -5.896 9.766 8.143 1.00 0.00 C ATOM 739 NH1 ARG A 48 -5.769 11.090 8.128 1.00 0.00 N ATOM 740 NH2 ARG A 48 -5.884 9.114 9.293 1.00 0.00 N ATOM 0 H ARG A 48 -7.605 5.778 3.393 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.597 7.401 4.677 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -7.344 7.281 5.579 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -6.631 7.666 4.025 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -7.622 9.948 4.152 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -8.294 9.558 5.723 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.330 9.422 5.057 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -6.104 10.803 5.807 1.00 0.00 H new ATOM 0 HE ARG A 48 -6.005 8.073 7.046 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.763 11.592 7.240 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -5.678 11.604 9.005 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -5.966 8.097 9.304 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -5.793 9.628 10.170 1.00 0.00 H new ATOM 754 N THR A 49 -8.340 8.397 1.803 1.00 0.00 N ATOM 755 CA THR A 49 -8.482 9.401 0.760 1.00 0.00 C ATOM 756 C THR A 49 -9.072 8.816 -0.526 1.00 0.00 C ATOM 757 O THR A 49 -9.482 9.546 -1.431 1.00 0.00 O ATOM 758 CB THR A 49 -7.122 10.088 0.484 1.00 0.00 C ATOM 759 OG1 THR A 49 -7.064 10.592 -0.852 1.00 0.00 O ATOM 760 CG2 THR A 49 -5.966 9.137 0.732 1.00 0.00 C ATOM 0 H THR A 49 -7.608 7.707 1.633 1.00 0.00 H new ATOM 0 HA THR A 49 -9.187 10.151 1.119 1.00 0.00 H new ATOM 0 HB THR A 49 -7.034 10.925 1.176 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.965 10.599 -1.239 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.025 9.648 0.530 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.983 8.806 1.770 1.00 0.00 H new ATOM 0 HG23 THR A 49 -6.058 8.273 0.074 1.00 0.00 H new ATOM 768 N LYS A 50 -9.149 7.488 -0.570 1.00 0.00 N ATOM 769 CA LYS A 50 -9.728 6.760 -1.699 1.00 0.00 C ATOM 770 C LYS A 50 -8.949 7.019 -2.985 1.00 0.00 C ATOM 771 O LYS A 50 -9.529 7.131 -4.064 1.00 0.00 O ATOM 772 CB LYS A 50 -11.213 7.104 -1.898 1.00 0.00 C ATOM 773 CG LYS A 50 -12.089 6.922 -0.655 1.00 0.00 C ATOM 774 CD LYS A 50 -11.833 5.607 0.076 1.00 0.00 C ATOM 775 CE LYS A 50 -11.897 4.394 -0.843 1.00 0.00 C ATOM 776 NZ LYS A 50 -13.208 4.261 -1.536 1.00 0.00 N ATOM 0 H LYS A 50 -8.811 6.883 0.179 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.657 5.699 -1.460 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.290 8.139 -2.230 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.611 6.482 -2.699 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.912 7.751 0.030 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -13.138 6.969 -0.948 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.852 5.646 0.550 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.568 5.492 0.873 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.104 4.466 -1.587 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.707 3.493 -0.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.200 3.410 -2.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.967 4.181 -0.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.374 5.099 -2.129 1.00 0.00 H new ATOM 790 N GLN A 51 -7.632 7.110 -2.864 1.00 0.00 N ATOM 791 CA GLN A 51 -6.774 7.244 -4.031 1.00 0.00 C ATOM 792 C GLN A 51 -6.334 5.870 -4.498 1.00 0.00 C ATOM 793 O GLN A 51 -6.188 4.956 -3.689 1.00 0.00 O ATOM 794 CB GLN A 51 -5.554 8.126 -3.748 1.00 0.00 C ATOM 795 CG GLN A 51 -4.997 8.007 -2.341 1.00 0.00 C ATOM 796 CD GLN A 51 -3.695 8.769 -2.160 1.00 0.00 C ATOM 797 OE1 GLN A 51 -3.397 9.256 -1.071 1.00 0.00 O ATOM 798 NE2 GLN A 51 -2.901 8.863 -3.215 1.00 0.00 N ATOM 0 H GLN A 51 -7.137 7.094 -1.973 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.349 7.733 -4.817 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.767 7.872 -4.458 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.825 9.166 -3.930 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.734 8.381 -1.630 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.833 6.955 -2.107 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.181 8.446 -4.103 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.009 9.352 -3.140 1.00 0.00 H new ATOM 807 N PHE A 52 -6.120 5.738 -5.791 1.00 0.00 N ATOM 808 CA PHE A 52 -5.831 4.449 -6.397 1.00 0.00 C ATOM 809 C PHE A 52 -4.427 4.431 -6.996 1.00 0.00 C ATOM 810 O PHE A 52 -3.996 5.402 -7.618 1.00 0.00 O ATOM 811 CB PHE A 52 -6.890 4.157 -7.466 1.00 0.00 C ATOM 812 CG PHE A 52 -6.625 2.946 -8.314 1.00 0.00 C ATOM 813 CD1 PHE A 52 -6.511 1.687 -7.748 1.00 0.00 C ATOM 814 CD2 PHE A 52 -6.507 3.071 -9.689 1.00 0.00 C ATOM 815 CE1 PHE A 52 -6.280 0.578 -8.535 1.00 0.00 C ATOM 816 CE2 PHE A 52 -6.279 1.964 -10.481 1.00 0.00 C ATOM 817 CZ PHE A 52 -6.166 0.717 -9.905 1.00 0.00 C ATOM 0 H PHE A 52 -6.141 6.515 -6.451 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.865 3.672 -5.633 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.855 4.033 -6.974 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.974 5.026 -8.118 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.604 1.572 -6.678 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.594 4.046 -10.146 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.188 -0.398 -8.081 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.189 2.075 -11.552 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.989 -0.150 -10.524 1.00 0.00 H new ATOM 827 N GLY A 53 -3.719 3.329 -6.784 1.00 0.00 N ATOM 828 CA GLY A 53 -2.394 3.165 -7.347 1.00 0.00 C ATOM 829 C GLY A 53 -1.727 1.901 -6.859 1.00 0.00 C ATOM 830 O GLY A 53 -2.398 0.948 -6.456 1.00 0.00 O ATOM 0 H GLY A 53 -4.044 2.539 -6.226 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.462 3.143 -8.435 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.779 4.025 -7.083 1.00 0.00 H new ATOM 834 N THR A 54 -0.411 1.905 -6.874 1.00 0.00 N ATOM 835 CA THR A 54 0.362 0.762 -6.435 1.00 0.00 C ATOM 836 C THR A 54 1.002 1.048 -5.086 1.00 0.00 C ATOM 837 O THR A 54 1.452 2.159 -4.821 1.00 0.00 O ATOM 838 CB THR A 54 1.451 0.398 -7.467 1.00 0.00 C ATOM 839 OG1 THR A 54 2.398 -0.524 -6.912 1.00 0.00 O ATOM 840 CG2 THR A 54 2.168 1.644 -7.958 1.00 0.00 C ATOM 0 H THR A 54 0.151 2.696 -7.189 1.00 0.00 H new ATOM 0 HA THR A 54 -0.316 -0.086 -6.339 1.00 0.00 H new ATOM 0 HB THR A 54 0.957 -0.079 -8.314 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.077 -0.741 -7.585 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.931 1.363 -8.684 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.450 2.316 -8.428 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.639 2.149 -7.115 1.00 0.00 H new ATOM 848 N PHE A 55 1.028 0.049 -4.234 1.00 0.00 N ATOM 849 CA PHE A 55 1.589 0.198 -2.909 1.00 0.00 C ATOM 850 C PHE A 55 2.354 -1.058 -2.525 1.00 0.00 C ATOM 851 O PHE A 55 1.889 -2.179 -2.735 1.00 0.00 O ATOM 852 CB PHE A 55 0.494 0.495 -1.873 1.00 0.00 C ATOM 853 CG PHE A 55 -0.439 -0.660 -1.613 1.00 0.00 C ATOM 854 CD1 PHE A 55 -1.401 -1.014 -2.544 1.00 0.00 C ATOM 855 CD2 PHE A 55 -0.344 -1.395 -0.441 1.00 0.00 C ATOM 856 CE1 PHE A 55 -2.250 -2.078 -2.311 1.00 0.00 C ATOM 857 CE2 PHE A 55 -1.191 -2.458 -0.203 1.00 0.00 C ATOM 858 CZ PHE A 55 -2.144 -2.802 -1.140 1.00 0.00 C ATOM 0 H PHE A 55 0.665 -0.882 -4.436 1.00 0.00 H new ATOM 0 HA PHE A 55 2.276 1.044 -2.922 1.00 0.00 H new ATOM 0 HB2 PHE A 55 0.966 0.785 -0.934 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.090 1.350 -2.213 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.488 -0.452 -3.462 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.402 -1.132 0.294 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.997 -2.344 -3.045 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.108 -3.020 0.715 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.806 -3.636 -0.958 1.00 0.00 H new ATOM 868 N PRO A 56 3.553 -0.881 -1.980 1.00 0.00 N ATOM 869 CA PRO A 56 4.373 -1.990 -1.512 1.00 0.00 C ATOM 870 C PRO A 56 3.654 -2.793 -0.434 1.00 0.00 C ATOM 871 O PRO A 56 3.422 -2.294 0.671 1.00 0.00 O ATOM 872 CB PRO A 56 5.619 -1.306 -0.937 1.00 0.00 C ATOM 873 CG PRO A 56 5.639 0.049 -1.556 1.00 0.00 C ATOM 874 CD PRO A 56 4.202 0.420 -1.782 1.00 0.00 C ATOM 0 HA PRO A 56 4.605 -2.700 -2.306 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.567 -1.242 0.150 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.523 -1.864 -1.181 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.130 0.770 -0.902 1.00 0.00 H new ATOM 0 HG3 PRO A 56 6.193 0.041 -2.495 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.784 0.954 -0.929 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.084 1.067 -2.652 1.00 0.00 H new ATOM 882 N GLY A 57 3.320 -4.044 -0.751 1.00 0.00 N ATOM 883 CA GLY A 57 2.610 -4.905 0.187 1.00 0.00 C ATOM 884 C GLY A 57 3.493 -5.364 1.333 1.00 0.00 C ATOM 885 O GLY A 57 3.229 -6.379 1.976 1.00 0.00 O ATOM 0 H GLY A 57 3.530 -4.480 -1.649 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.749 -4.370 0.587 1.00 0.00 H new ATOM 0 HA3 GLY A 57 2.225 -5.776 -0.343 1.00 0.00 H new ATOM 889 N ASN A 58 4.542 -4.601 1.580 1.00 0.00 N ATOM 890 CA ASN A 58 5.505 -4.903 2.619 1.00 0.00 C ATOM 891 C ASN A 58 5.238 -4.029 3.844 1.00 0.00 C ATOM 892 O ASN A 58 5.683 -4.329 4.948 1.00 0.00 O ATOM 893 CB ASN A 58 6.918 -4.659 2.079 1.00 0.00 C ATOM 894 CG ASN A 58 8.001 -5.174 3.007 1.00 0.00 C ATOM 895 OD1 ASN A 58 8.503 -4.446 3.861 1.00 0.00 O ATOM 896 ND2 ASN A 58 8.377 -6.428 2.836 1.00 0.00 N ATOM 0 H ASN A 58 4.750 -3.748 1.060 1.00 0.00 H new ATOM 0 HA ASN A 58 5.413 -5.947 2.917 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.019 -5.143 1.107 1.00 0.00 H new ATOM 0 HB3 ASN A 58 7.061 -3.590 1.919 1.00 0.00 H new ATOM 0 HD21 ASN A 58 9.109 -6.826 3.424 1.00 0.00 H new ATOM 0 HD22 ASN A 58 7.935 -6.999 2.116 1.00 0.00 H new ATOM 903 N TYR A 59 4.488 -2.950 3.639 1.00 0.00 N ATOM 904 CA TYR A 59 4.180 -2.017 4.719 1.00 0.00 C ATOM 905 C TYR A 59 2.737 -2.156 5.161 1.00 0.00 C ATOM 906 O TYR A 59 2.177 -1.234 5.743 1.00 0.00 O ATOM 907 CB TYR A 59 4.403 -0.567 4.282 1.00 0.00 C ATOM 908 CG TYR A 59 5.801 -0.252 3.819 1.00 0.00 C ATOM 909 CD1 TYR A 59 6.849 -0.147 4.720 1.00 0.00 C ATOM 910 CD2 TYR A 59 6.068 -0.046 2.475 1.00 0.00 C ATOM 911 CE1 TYR A 59 8.127 0.152 4.292 1.00 0.00 C ATOM 912 CE2 TYR A 59 7.339 0.253 2.037 1.00 0.00 C ATOM 913 CZ TYR A 59 8.368 0.350 2.949 1.00 0.00 C ATOM 914 OH TYR A 59 9.642 0.648 2.522 1.00 0.00 O ATOM 0 H TYR A 59 4.083 -2.700 2.737 1.00 0.00 H new ATOM 0 HA TYR A 59 4.850 -2.260 5.544 1.00 0.00 H new ATOM 0 HB2 TYR A 59 3.708 -0.335 3.475 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.155 0.090 5.115 1.00 0.00 H new ATOM 0 HD1 TYR A 59 6.663 -0.301 5.773 1.00 0.00 H new ATOM 0 HD2 TYR A 59 5.264 -0.121 1.757 1.00 0.00 H new ATOM 0 HE1 TYR A 59 8.934 0.230 5.006 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.528 0.411 0.985 1.00 0.00 H new ATOM 0 HH TYR A 59 9.627 1.480 2.004 1.00 0.00 H new ATOM 924 N VAL A 60 2.135 -3.296 4.883 1.00 0.00 N ATOM 925 CA VAL A 60 0.733 -3.511 5.201 1.00 0.00 C ATOM 926 C VAL A 60 0.522 -4.930 5.705 1.00 0.00 C ATOM 927 O VAL A 60 1.327 -5.823 5.428 1.00 0.00 O ATOM 928 CB VAL A 60 -0.189 -3.230 3.989 1.00 0.00 C ATOM 929 CG1 VAL A 60 -0.192 -1.747 3.640 1.00 0.00 C ATOM 930 CG2 VAL A 60 0.235 -4.057 2.792 1.00 0.00 C ATOM 0 H VAL A 60 2.594 -4.090 4.437 1.00 0.00 H new ATOM 0 HA VAL A 60 0.463 -2.804 5.985 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.204 -3.516 4.264 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.847 -1.576 2.786 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.552 -1.173 4.494 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.821 -1.430 3.390 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.425 -3.845 1.951 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.260 -3.805 2.521 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.175 -5.116 3.042 1.00 0.00 H new ATOM 940 N LYS A 61 -0.544 -5.124 6.456 1.00 0.00 N ATOM 941 CA LYS A 61 -0.809 -6.402 7.090 1.00 0.00 C ATOM 942 C LYS A 61 -2.229 -6.868 6.782 1.00 0.00 C ATOM 943 O LYS A 61 -3.163 -6.065 6.773 1.00 0.00 O ATOM 944 CB LYS A 61 -0.577 -6.285 8.596 1.00 0.00 C ATOM 945 CG LYS A 61 -1.530 -5.339 9.314 1.00 0.00 C ATOM 946 CD LYS A 61 -0.950 -4.846 10.634 1.00 0.00 C ATOM 947 CE LYS A 61 -0.143 -5.927 11.336 1.00 0.00 C ATOM 948 NZ LYS A 61 0.281 -5.520 12.703 1.00 0.00 N ATOM 0 H LYS A 61 -1.246 -4.408 6.643 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.124 -7.151 6.692 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.665 -7.276 9.042 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.445 -5.948 8.767 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.748 -4.486 8.672 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.476 -5.848 9.500 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.315 -3.980 10.451 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.759 -4.516 11.286 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.738 -6.838 11.399 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.739 -6.163 10.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.827 -6.289 13.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.872 -4.666 12.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.559 -5.320 13.282 1.00 0.00 H new ATOM 962 N PRO A 62 -2.394 -8.172 6.506 1.00 0.00 N ATOM 963 CA PRO A 62 -3.671 -8.751 6.064 1.00 0.00 C ATOM 964 C PRO A 62 -4.804 -8.565 7.067 1.00 0.00 C ATOM 965 O PRO A 62 -4.715 -9.000 8.217 1.00 0.00 O ATOM 966 CB PRO A 62 -3.358 -10.238 5.887 1.00 0.00 C ATOM 967 CG PRO A 62 -1.876 -10.312 5.763 1.00 0.00 C ATOM 968 CD PRO A 62 -1.340 -9.194 6.602 1.00 0.00 C ATOM 0 HA PRO A 62 -4.026 -8.260 5.158 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -3.712 -10.819 6.739 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -3.848 -10.641 5.001 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -1.502 -11.275 6.110 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -1.565 -10.205 4.724 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -1.174 -9.507 7.633 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -0.386 -8.827 6.223 1.00 0.00 H new ATOM 976 N LEU A 63 -5.864 -7.911 6.615 1.00 0.00 N ATOM 977 CA LEU A 63 -7.066 -7.731 7.415 1.00 0.00 C ATOM 978 C LEU A 63 -8.152 -8.689 6.943 1.00 0.00 C ATOM 979 O LEU A 63 -7.872 -9.669 6.250 1.00 0.00 O ATOM 980 CB LEU A 63 -7.572 -6.293 7.301 1.00 0.00 C ATOM 981 CG LEU A 63 -6.605 -5.210 7.766 1.00 0.00 C ATOM 982 CD1 LEU A 63 -7.221 -3.844 7.536 1.00 0.00 C ATOM 983 CD2 LEU A 63 -6.256 -5.397 9.232 1.00 0.00 C ATOM 0 H LEU A 63 -5.915 -7.492 5.687 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.823 -7.941 8.457 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.830 -6.100 6.260 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.492 -6.205 7.879 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.684 -5.287 7.188 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.528 -3.072 7.869 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.428 -3.712 6.474 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -8.151 -3.765 8.099 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.565 -4.614 9.544 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.164 -5.340 9.832 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.788 -6.371 9.373 1.00 0.00 H new ATOM 995 N TYR A 64 -9.388 -8.403 7.322 1.00 0.00 N ATOM 996 CA TYR A 64 -10.517 -9.234 6.929 1.00 0.00 C ATOM 997 C TYR A 64 -11.566 -8.386 6.220 1.00 0.00 C ATOM 998 O TYR A 64 -12.254 -8.858 5.309 1.00 0.00 O ATOM 999 CB TYR A 64 -11.113 -9.926 8.157 1.00 0.00 C ATOM 1000 CG TYR A 64 -10.073 -10.646 8.985 1.00 0.00 C ATOM 1001 CD1 TYR A 64 -9.655 -11.927 8.651 1.00 0.00 C ATOM 1002 CD2 TYR A 64 -9.491 -10.033 10.088 1.00 0.00 C ATOM 1003 CE1 TYR A 64 -8.689 -12.578 9.394 1.00 0.00 C ATOM 1004 CE2 TYR A 64 -8.521 -10.676 10.833 1.00 0.00 C ATOM 1005 CZ TYR A 64 -8.124 -11.947 10.483 1.00 0.00 C ATOM 1006 OH TYR A 64 -7.158 -12.590 11.223 1.00 0.00 O ATOM 0 H TYR A 64 -9.636 -7.601 7.902 1.00 0.00 H new ATOM 0 HA TYR A 64 -10.173 -10.003 6.237 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -11.616 -9.185 8.778 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -11.872 -10.639 7.834 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -10.092 -12.423 7.797 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -9.802 -9.037 10.368 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -8.378 -13.576 9.124 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -8.077 -10.184 11.686 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.864 -12.007 11.954 1.00 0.00 H new ATOM 1016 N LEU A 65 -11.673 -7.137 6.652 1.00 0.00 N ATOM 1017 CA LEU A 65 -12.558 -6.158 6.030 1.00 0.00 C ATOM 1018 C LEU A 65 -12.215 -4.772 6.557 1.00 0.00 C ATOM 1019 O LEU A 65 -12.425 -3.780 5.829 1.00 0.00 O ATOM 1020 CB LEU A 65 -14.043 -6.471 6.286 1.00 0.00 C ATOM 1021 CG LEU A 65 -14.548 -6.259 7.721 1.00 0.00 C ATOM 1022 CD1 LEU A 65 -16.067 -6.234 7.744 1.00 0.00 C ATOM 1023 CD2 LEU A 65 -14.034 -7.347 8.651 1.00 0.00 C ATOM 1024 OXT LEU A 65 -11.702 -4.688 7.694 1.00 0.00 O ATOM 0 H LEU A 65 -11.147 -6.772 7.446 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.405 -6.200 4.952 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -14.643 -5.853 5.618 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -14.226 -7.509 6.009 1.00 0.00 H new ATOM 0 HG LEU A 65 -14.167 -5.301 8.073 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -16.413 -6.083 8.767 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -16.427 -5.420 7.115 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -16.452 -7.181 7.367 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -14.408 -7.170 9.659 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -14.381 -8.319 8.301 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -12.944 -7.333 8.660 1.00 0.00 H new TER 1036 LEU A 65