USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=19 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 Set 1.1: A 49 THR OG1 : rot 15:sc= 0.659 USER MOD Set 1.2: A 51 GLN : amide:sc= -0.318 K(o=0.34,f=-5!) USER MOD Single : A 1 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 1 GLN N :NH3+ 177:sc= -0.213 (180deg=-0.271) USER MOD Single : A 2 THR OG1 : rot 160:sc= -0.392 USER MOD Single : A 3 SER OG : rot 28:sc= 1.25 USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 8 SER OG : rot -84:sc= 1.28 USER MOD Single : A 9 TYR OH : rot 32:sc= 0.254 USER MOD Single : A 10 GLN : amide:sc= -0.88 K(o=-0.88,f=-3.4!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -109:sc= 0.695 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -1.04 K(o=-1,f=-0.028) USER MOD Single : A 19 ASN : amide:sc= 0.987 K(o=0.99,f=0) USER MOD Single : A 34 MET CE :methyl -172:sc= -1.83! (180deg=-2.08) USER MOD Single : A 36 LYS NZ :NH3+ 173:sc= 1.01 (180deg=0.904) USER MOD Single : A 37 CYS SG : rot 110:sc= -0.0378 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 58:sc= 0.711 USER MOD Single : A 50 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.0289) 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 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -136:sc= -0.859 (180deg=-2.55!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -17.265 0.215 -3.755 1.00 0.00 N ATOM 2 CA GLN A 1 -17.972 -0.505 -2.670 1.00 0.00 C ATOM 3 C GLN A 1 -17.212 -1.766 -2.266 1.00 0.00 C ATOM 4 O GLN A 1 -17.561 -2.423 -1.287 1.00 0.00 O ATOM 5 CB GLN A 1 -19.393 -0.869 -3.111 1.00 0.00 C ATOM 6 CG GLN A 1 -19.444 -1.856 -4.265 1.00 0.00 C ATOM 7 CD GLN A 1 -20.857 -2.126 -4.740 1.00 0.00 C ATOM 8 OE1 GLN A 1 -21.725 -1.258 -4.667 1.00 0.00 O ATOM 9 NE2 GLN A 1 -21.100 -3.336 -5.216 1.00 0.00 N ATOM 0 H1 GLN A 1 -17.826 1.040 -4.047 1.00 0.00 H new ATOM 0 H2 GLN A 1 -16.335 0.532 -3.413 1.00 0.00 H new ATOM 0 H3 GLN A 1 -17.136 -0.421 -4.568 1.00 0.00 H new ATOM 0 HA GLN A 1 -18.026 0.156 -1.805 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -19.930 -1.290 -2.261 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -19.918 0.041 -3.401 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -18.853 -1.469 -5.095 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -18.983 -2.794 -3.956 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -20.351 -4.027 -5.259 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -22.036 -3.578 -5.540 1.00 0.00 H new ATOM 20 N THR A 2 -16.175 -2.110 -3.021 1.00 0.00 N ATOM 21 CA THR A 2 -15.394 -3.294 -2.718 1.00 0.00 C ATOM 22 C THR A 2 -14.351 -2.997 -1.634 1.00 0.00 C ATOM 23 O THR A 2 -13.242 -2.531 -1.898 1.00 0.00 O ATOM 24 CB THR A 2 -14.738 -3.890 -3.991 1.00 0.00 C ATOM 25 OG1 THR A 2 -13.988 -5.063 -3.656 1.00 0.00 O ATOM 26 CG2 THR A 2 -13.839 -2.882 -4.701 1.00 0.00 C ATOM 0 H THR A 2 -15.861 -1.589 -3.839 1.00 0.00 H new ATOM 0 HA THR A 2 -16.076 -4.050 -2.328 1.00 0.00 H new ATOM 0 HB THR A 2 -15.542 -4.153 -4.678 1.00 0.00 H new ATOM 0 HG1 THR A 2 -13.850 -5.604 -4.461 1.00 0.00 H new ATOM 0 HG21 THR A 2 -13.402 -3.344 -5.586 1.00 0.00 H new ATOM 0 HG22 THR A 2 -14.429 -2.015 -4.998 1.00 0.00 H new ATOM 0 HG23 THR A 2 -13.043 -2.566 -4.026 1.00 0.00 H new ATOM 34 N SER A 3 -14.751 -3.229 -0.397 1.00 0.00 N ATOM 35 CA SER A 3 -13.872 -3.069 0.745 1.00 0.00 C ATOM 36 C SER A 3 -14.184 -4.185 1.736 1.00 0.00 C ATOM 37 O SER A 3 -14.457 -3.949 2.914 1.00 0.00 O ATOM 38 CB SER A 3 -14.088 -1.680 1.370 1.00 0.00 C ATOM 39 OG SER A 3 -13.033 -1.319 2.246 1.00 0.00 O ATOM 0 H SER A 3 -15.694 -3.534 -0.157 1.00 0.00 H new ATOM 0 HA SER A 3 -12.825 -3.136 0.449 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.172 -0.936 0.578 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.031 -1.672 1.916 1.00 0.00 H new ATOM 0 HG SER A 3 -12.206 -1.762 1.962 1.00 0.00 H new ATOM 45 N GLN A 4 -14.161 -5.411 1.229 1.00 0.00 N ATOM 46 CA GLN A 4 -14.635 -6.558 1.984 1.00 0.00 C ATOM 47 C GLN A 4 -13.691 -7.753 1.837 1.00 0.00 C ATOM 48 O GLN A 4 -12.714 -7.877 2.574 1.00 0.00 O ATOM 49 CB GLN A 4 -16.056 -6.905 1.513 1.00 0.00 C ATOM 50 CG GLN A 4 -16.609 -8.214 2.045 1.00 0.00 C ATOM 51 CD GLN A 4 -18.002 -8.496 1.520 1.00 0.00 C ATOM 52 OE1 GLN A 4 -18.363 -8.062 0.424 1.00 0.00 O ATOM 53 NE2 GLN A 4 -18.792 -9.228 2.285 1.00 0.00 N ATOM 0 H GLN A 4 -13.818 -5.634 0.295 1.00 0.00 H new ATOM 0 HA GLN A 4 -14.656 -6.308 3.045 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -16.727 -6.098 1.808 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -16.062 -6.942 0.424 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -15.943 -9.030 1.764 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -16.632 -8.182 3.134 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -18.457 -9.569 3.186 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -19.737 -9.452 1.975 1.00 0.00 H new ATOM 62 N ASP A 5 -13.973 -8.615 0.868 1.00 0.00 N ATOM 63 CA ASP A 5 -13.211 -9.844 0.679 1.00 0.00 C ATOM 64 C ASP A 5 -12.176 -9.676 -0.434 1.00 0.00 C ATOM 65 O ASP A 5 -11.517 -10.627 -0.847 1.00 0.00 O ATOM 66 CB ASP A 5 -14.181 -10.987 0.366 1.00 0.00 C ATOM 67 CG ASP A 5 -13.512 -12.343 0.278 1.00 0.00 C ATOM 68 OD1 ASP A 5 -13.096 -12.876 1.327 1.00 0.00 O ATOM 69 OD2 ASP A 5 -13.411 -12.885 -0.845 1.00 0.00 O ATOM 0 H ASP A 5 -14.729 -8.484 0.196 1.00 0.00 H new ATOM 0 HA ASP A 5 -12.666 -10.079 1.593 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -14.951 -11.020 1.137 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -14.684 -10.777 -0.578 1.00 0.00 H new ATOM 74 N LEU A 6 -12.019 -8.447 -0.901 1.00 0.00 N ATOM 75 CA LEU A 6 -11.033 -8.139 -1.935 1.00 0.00 C ATOM 76 C LEU A 6 -9.624 -8.149 -1.346 1.00 0.00 C ATOM 77 O LEU A 6 -8.630 -8.131 -2.079 1.00 0.00 O ATOM 78 CB LEU A 6 -11.337 -6.773 -2.554 1.00 0.00 C ATOM 79 CG LEU A 6 -10.437 -6.363 -3.721 1.00 0.00 C ATOM 80 CD1 LEU A 6 -10.650 -7.281 -4.917 1.00 0.00 C ATOM 81 CD2 LEU A 6 -10.692 -4.912 -4.099 1.00 0.00 C ATOM 0 H LEU A 6 -12.560 -7.643 -0.582 1.00 0.00 H new ATOM 0 HA LEU A 6 -11.089 -8.901 -2.712 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -12.371 -6.772 -2.898 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -11.259 -6.015 -1.774 1.00 0.00 H new ATOM 0 HG LEU A 6 -9.398 -6.459 -3.407 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -10.000 -6.970 -5.735 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -10.413 -8.307 -4.635 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -11.690 -7.224 -5.239 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -10.045 -4.634 -4.931 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -11.734 -4.791 -4.394 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -10.480 -4.271 -3.244 1.00 0.00 H new ATOM 93 N PHE A 7 -9.583 -8.237 -0.013 1.00 0.00 N ATOM 94 CA PHE A 7 -8.369 -8.130 0.790 1.00 0.00 C ATOM 95 C PHE A 7 -8.033 -6.683 1.086 1.00 0.00 C ATOM 96 O PHE A 7 -7.674 -5.910 0.203 1.00 0.00 O ATOM 97 CB PHE A 7 -7.173 -8.843 0.156 1.00 0.00 C ATOM 98 CG PHE A 7 -6.988 -10.244 0.667 1.00 0.00 C ATOM 99 CD1 PHE A 7 -6.328 -10.473 1.862 1.00 0.00 C ATOM 100 CD2 PHE A 7 -7.486 -11.327 -0.038 1.00 0.00 C ATOM 101 CE1 PHE A 7 -6.164 -11.756 2.345 1.00 0.00 C ATOM 102 CE2 PHE A 7 -7.327 -12.612 0.442 1.00 0.00 C ATOM 103 CZ PHE A 7 -6.664 -12.826 1.634 1.00 0.00 C ATOM 0 H PHE A 7 -10.420 -8.389 0.550 1.00 0.00 H new ATOM 0 HA PHE A 7 -8.579 -8.639 1.731 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -7.305 -8.871 -0.926 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -6.268 -8.268 0.352 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -5.936 -9.638 2.424 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -8.004 -11.165 -0.972 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -5.645 -11.921 3.278 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -7.721 -13.449 -0.115 1.00 0.00 H new ATOM 0 HZ PHE A 7 -6.537 -13.831 2.009 1.00 0.00 H new ATOM 113 N SER A 8 -8.168 -6.328 2.345 1.00 0.00 N ATOM 114 CA SER A 8 -7.820 -5.007 2.807 1.00 0.00 C ATOM 115 C SER A 8 -6.750 -5.129 3.875 1.00 0.00 C ATOM 116 O SER A 8 -6.845 -5.986 4.758 1.00 0.00 O ATOM 117 CB SER A 8 -9.055 -4.314 3.370 1.00 0.00 C ATOM 118 OG SER A 8 -10.163 -4.467 2.498 1.00 0.00 O ATOM 0 H SER A 8 -8.522 -6.947 3.074 1.00 0.00 H new ATOM 0 HA SER A 8 -7.439 -4.411 1.978 1.00 0.00 H new ATOM 0 HB2 SER A 8 -9.297 -4.730 4.348 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.847 -3.254 3.517 1.00 0.00 H new ATOM 0 HG SER A 8 -10.132 -3.775 1.805 1.00 0.00 H new ATOM 124 N TYR A 9 -5.723 -4.309 3.785 1.00 0.00 N ATOM 125 CA TYR A 9 -4.642 -4.360 4.748 1.00 0.00 C ATOM 126 C TYR A 9 -4.526 -3.038 5.474 1.00 0.00 C ATOM 127 O TYR A 9 -4.950 -2.007 4.961 1.00 0.00 O ATOM 128 CB TYR A 9 -3.308 -4.668 4.067 1.00 0.00 C ATOM 129 CG TYR A 9 -3.303 -5.914 3.215 1.00 0.00 C ATOM 130 CD1 TYR A 9 -3.928 -7.080 3.634 1.00 0.00 C ATOM 131 CD2 TYR A 9 -2.662 -5.918 1.990 1.00 0.00 C ATOM 132 CE1 TYR A 9 -3.914 -8.215 2.851 1.00 0.00 C ATOM 133 CE2 TYR A 9 -2.640 -7.048 1.198 1.00 0.00 C ATOM 134 CZ TYR A 9 -3.267 -8.196 1.635 1.00 0.00 C ATOM 135 OH TYR A 9 -3.252 -9.329 0.856 1.00 0.00 O ATOM 0 H TYR A 9 -5.614 -3.602 3.058 1.00 0.00 H new ATOM 0 HA TYR A 9 -4.870 -5.156 5.457 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.030 -3.818 3.444 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.539 -4.766 4.834 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.433 -7.099 4.588 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -2.169 -5.020 1.647 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -4.408 -9.114 3.189 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -2.136 -7.033 0.243 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.081 -9.833 0.996 1.00 0.00 H new ATOM 145 N GLN A 10 -3.957 -3.071 6.663 1.00 0.00 N ATOM 146 CA GLN A 10 -3.698 -1.853 7.402 1.00 0.00 C ATOM 147 C GLN A 10 -2.201 -1.590 7.411 1.00 0.00 C ATOM 148 O GLN A 10 -1.407 -2.510 7.588 1.00 0.00 O ATOM 149 CB GLN A 10 -4.220 -1.951 8.832 1.00 0.00 C ATOM 150 CG GLN A 10 -4.290 -0.602 9.522 1.00 0.00 C ATOM 151 CD GLN A 10 -4.730 -0.692 10.967 1.00 0.00 C ATOM 152 OE1 GLN A 10 -4.329 0.122 11.799 1.00 0.00 O ATOM 153 NE2 GLN A 10 -5.558 -1.674 11.279 1.00 0.00 N ATOM 0 H GLN A 10 -3.666 -3.926 7.136 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.220 -1.029 6.915 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.212 -2.402 8.822 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.574 -2.615 9.406 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.310 -0.127 9.477 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.982 0.041 8.978 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.867 -2.328 10.560 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.888 -1.778 12.239 1.00 0.00 H new ATOM 162 N ALA A 11 -1.826 -0.348 7.193 1.00 0.00 N ATOM 163 CA ALA A 11 -0.429 0.028 7.097 1.00 0.00 C ATOM 164 C ALA A 11 0.273 -0.033 8.446 1.00 0.00 C ATOM 165 O ALA A 11 -0.224 0.480 9.448 1.00 0.00 O ATOM 166 CB ALA A 11 -0.323 1.420 6.524 1.00 0.00 C ATOM 0 H ALA A 11 -2.477 0.428 7.077 1.00 0.00 H new ATOM 0 HA ALA A 11 0.067 -0.687 6.440 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.727 1.704 6.451 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.774 1.440 5.532 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.845 2.122 7.174 1.00 0.00 H new ATOM 172 N LEU A 12 1.434 -0.663 8.439 1.00 0.00 N ATOM 173 CA LEU A 12 2.276 -0.788 9.617 1.00 0.00 C ATOM 174 C LEU A 12 3.100 0.471 9.832 1.00 0.00 C ATOM 175 O LEU A 12 3.416 0.828 10.962 1.00 0.00 O ATOM 176 CB LEU A 12 3.221 -1.978 9.452 1.00 0.00 C ATOM 177 CG LEU A 12 2.559 -3.350 9.544 1.00 0.00 C ATOM 178 CD1 LEU A 12 3.054 -4.252 8.431 1.00 0.00 C ATOM 179 CD2 LEU A 12 2.829 -3.978 10.903 1.00 0.00 C ATOM 0 H LEU A 12 1.823 -1.107 7.607 1.00 0.00 H new ATOM 0 HA LEU A 12 1.630 -0.939 10.482 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.718 -1.896 8.485 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.997 -1.914 10.215 1.00 0.00 H new ATOM 0 HG LEU A 12 1.482 -3.225 9.431 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.572 -5.226 8.511 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.812 -3.806 7.466 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.134 -4.373 8.514 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.350 -4.956 10.953 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.904 -4.092 11.044 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.426 -3.336 11.687 1.00 0.00 H new ATOM 191 N TYR A 13 3.458 1.127 8.739 1.00 0.00 N ATOM 192 CA TYR A 13 4.327 2.296 8.795 1.00 0.00 C ATOM 193 C TYR A 13 3.873 3.343 7.790 1.00 0.00 C ATOM 194 O TYR A 13 2.996 3.085 6.963 1.00 0.00 O ATOM 195 CB TYR A 13 5.779 1.907 8.485 1.00 0.00 C ATOM 196 CG TYR A 13 6.376 0.878 9.421 1.00 0.00 C ATOM 197 CD1 TYR A 13 6.824 1.234 10.687 1.00 0.00 C ATOM 198 CD2 TYR A 13 6.499 -0.450 9.032 1.00 0.00 C ATOM 199 CE1 TYR A 13 7.377 0.296 11.538 1.00 0.00 C ATOM 200 CE2 TYR A 13 7.053 -1.393 9.876 1.00 0.00 C ATOM 201 CZ TYR A 13 7.489 -1.017 11.128 1.00 0.00 C ATOM 202 OH TYR A 13 8.045 -1.955 11.970 1.00 0.00 O ATOM 0 H TYR A 13 3.160 0.870 7.798 1.00 0.00 H new ATOM 0 HA TYR A 13 4.270 2.706 9.803 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.827 1.522 7.466 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.395 2.806 8.516 1.00 0.00 H new ATOM 0 HD1 TYR A 13 6.739 2.261 11.011 1.00 0.00 H new ATOM 0 HD2 TYR A 13 6.156 -0.750 8.053 1.00 0.00 H new ATOM 0 HE1 TYR A 13 7.720 0.589 12.519 1.00 0.00 H new ATOM 0 HE2 TYR A 13 7.144 -2.420 9.556 1.00 0.00 H new ATOM 0 HH TYR A 13 8.048 -2.830 11.529 1.00 0.00 H new ATOM 212 N SER A 14 4.478 4.516 7.867 1.00 0.00 N ATOM 213 CA SER A 14 4.187 5.587 6.934 1.00 0.00 C ATOM 214 C SER A 14 5.220 5.602 5.805 1.00 0.00 C ATOM 215 O SER A 14 6.405 5.838 6.036 1.00 0.00 O ATOM 216 CB SER A 14 4.178 6.929 7.660 1.00 0.00 C ATOM 217 OG SER A 14 3.234 6.928 8.720 1.00 0.00 O ATOM 0 H SER A 14 5.178 4.750 8.571 1.00 0.00 H new ATOM 0 HA SER A 14 3.201 5.416 6.502 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.172 7.140 8.054 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.939 7.726 6.956 1.00 0.00 H new ATOM 0 HG SER A 14 2.477 7.505 8.485 1.00 0.00 H new ATOM 223 N TYR A 15 4.763 5.357 4.588 1.00 0.00 N ATOM 224 CA TYR A 15 5.649 5.293 3.435 1.00 0.00 C ATOM 225 C TYR A 15 5.311 6.387 2.439 1.00 0.00 C ATOM 226 O TYR A 15 4.143 6.622 2.123 1.00 0.00 O ATOM 227 CB TYR A 15 5.555 3.923 2.751 1.00 0.00 C ATOM 228 CG TYR A 15 6.428 3.771 1.524 1.00 0.00 C ATOM 229 CD1 TYR A 15 7.780 3.474 1.634 1.00 0.00 C ATOM 230 CD2 TYR A 15 5.893 3.916 0.252 1.00 0.00 C ATOM 231 CE1 TYR A 15 8.573 3.327 0.511 1.00 0.00 C ATOM 232 CE2 TYR A 15 6.676 3.768 -0.876 1.00 0.00 C ATOM 233 CZ TYR A 15 8.016 3.475 -0.742 1.00 0.00 C ATOM 234 OH TYR A 15 8.803 3.323 -1.863 1.00 0.00 O ATOM 0 H TYR A 15 3.779 5.198 4.371 1.00 0.00 H new ATOM 0 HA TYR A 15 6.669 5.439 3.789 1.00 0.00 H new ATOM 0 HB2 TYR A 15 5.827 3.152 3.472 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.518 3.743 2.468 1.00 0.00 H new ATOM 0 HD1 TYR A 15 8.220 3.356 2.613 1.00 0.00 H new ATOM 0 HD2 TYR A 15 4.844 4.149 0.142 1.00 0.00 H new ATOM 0 HE1 TYR A 15 9.623 3.097 0.614 1.00 0.00 H new ATOM 0 HE2 TYR A 15 6.241 3.881 -1.858 1.00 0.00 H new ATOM 0 HH TYR A 15 8.258 3.458 -2.666 1.00 0.00 H new ATOM 244 N ILE A 16 6.343 7.042 1.951 1.00 0.00 N ATOM 245 CA ILE A 16 6.200 8.060 0.935 1.00 0.00 C ATOM 246 C ILE A 16 6.590 7.474 -0.413 1.00 0.00 C ATOM 247 O ILE A 16 7.744 7.102 -0.626 1.00 0.00 O ATOM 248 CB ILE A 16 7.071 9.291 1.251 1.00 0.00 C ATOM 249 CG1 ILE A 16 6.636 9.927 2.577 1.00 0.00 C ATOM 250 CG2 ILE A 16 6.998 10.305 0.116 1.00 0.00 C ATOM 251 CD1 ILE A 16 5.182 10.353 2.607 1.00 0.00 C ATOM 0 H ILE A 16 7.305 6.883 2.249 1.00 0.00 H new ATOM 0 HA ILE A 16 5.161 8.388 0.911 1.00 0.00 H new ATOM 0 HB ILE A 16 8.107 8.966 1.350 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.813 9.216 3.384 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.263 10.796 2.774 1.00 0.00 H new ATOM 0 HG21 ILE A 16 7.620 11.167 0.358 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.356 9.846 -0.805 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.966 10.628 -0.017 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.952 10.793 3.577 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.002 11.088 1.823 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.545 9.484 2.442 1.00 0.00 H new ATOM 263 N PRO A 17 5.620 7.360 -1.324 1.00 0.00 N ATOM 264 CA PRO A 17 5.819 6.726 -2.630 1.00 0.00 C ATOM 265 C PRO A 17 6.879 7.421 -3.472 1.00 0.00 C ATOM 266 O PRO A 17 7.047 8.640 -3.418 1.00 0.00 O ATOM 267 CB PRO A 17 4.449 6.849 -3.302 1.00 0.00 C ATOM 268 CG PRO A 17 3.488 7.073 -2.190 1.00 0.00 C ATOM 269 CD PRO A 17 4.244 7.846 -1.156 1.00 0.00 C ATOM 0 HA PRO A 17 6.172 5.700 -2.523 1.00 0.00 H new ATOM 0 HB2 PRO A 17 4.431 7.677 -4.011 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.202 5.946 -3.860 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.614 7.627 -2.533 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.128 6.127 -1.787 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.172 8.921 -1.322 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.867 7.653 -0.152 1.00 0.00 H new ATOM 277 N GLN A 18 7.591 6.628 -4.258 1.00 0.00 N ATOM 278 CA GLN A 18 8.612 7.147 -5.150 1.00 0.00 C ATOM 279 C GLN A 18 7.975 7.569 -6.459 1.00 0.00 C ATOM 280 O GLN A 18 8.606 8.194 -7.310 1.00 0.00 O ATOM 281 CB GLN A 18 9.682 6.082 -5.395 1.00 0.00 C ATOM 282 CG GLN A 18 10.336 5.577 -4.119 1.00 0.00 C ATOM 283 CD GLN A 18 11.172 6.636 -3.423 1.00 0.00 C ATOM 284 OE1 GLN A 18 11.280 6.651 -2.200 1.00 0.00 O ATOM 285 NE2 GLN A 18 11.792 7.513 -4.200 1.00 0.00 N ATOM 0 H GLN A 18 7.478 5.615 -4.295 1.00 0.00 H new ATOM 0 HA GLN A 18 9.086 8.015 -4.692 1.00 0.00 H new ATOM 0 HB2 GLN A 18 9.232 5.240 -5.921 1.00 0.00 H new ATOM 0 HB3 GLN A 18 10.450 6.494 -6.050 1.00 0.00 H new ATOM 0 HG2 GLN A 18 9.563 5.225 -3.436 1.00 0.00 H new ATOM 0 HG3 GLN A 18 10.967 4.720 -4.355 1.00 0.00 H new ATOM 0 HE21 GLN A 18 11.677 7.468 -5.213 1.00 0.00 H new ATOM 0 HE22 GLN A 18 12.384 8.233 -3.785 1.00 0.00 H new ATOM 294 N ASN A 19 6.713 7.213 -6.602 1.00 0.00 N ATOM 295 CA ASN A 19 5.950 7.507 -7.797 1.00 0.00 C ATOM 296 C ASN A 19 4.584 8.043 -7.412 1.00 0.00 C ATOM 297 O ASN A 19 3.979 7.581 -6.448 1.00 0.00 O ATOM 298 CB ASN A 19 5.774 6.237 -8.629 1.00 0.00 C ATOM 299 CG ASN A 19 7.080 5.691 -9.162 1.00 0.00 C ATOM 300 OD1 ASN A 19 7.519 6.050 -10.252 1.00 0.00 O ATOM 301 ND2 ASN A 19 7.706 4.809 -8.397 1.00 0.00 N ATOM 0 H ASN A 19 6.187 6.709 -5.888 1.00 0.00 H new ATOM 0 HA ASN A 19 6.486 8.253 -8.383 1.00 0.00 H new ATOM 0 HB2 ASN A 19 5.290 5.474 -8.019 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.107 6.447 -9.465 1.00 0.00 H new ATOM 0 HD21 ASN A 19 8.588 4.400 -8.707 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.306 4.539 -7.498 1.00 0.00 H new ATOM 308 N ASP A 20 4.101 9.010 -8.177 1.00 0.00 N ATOM 309 CA ASP A 20 2.776 9.585 -7.957 1.00 0.00 C ATOM 310 C ASP A 20 1.699 8.565 -8.322 1.00 0.00 C ATOM 311 O ASP A 20 0.528 8.721 -7.982 1.00 0.00 O ATOM 312 CB ASP A 20 2.620 10.862 -8.789 1.00 0.00 C ATOM 313 CG ASP A 20 1.268 11.528 -8.620 1.00 0.00 C ATOM 314 OD1 ASP A 20 0.959 12.001 -7.503 1.00 0.00 O ATOM 315 OD2 ASP A 20 0.510 11.594 -9.611 1.00 0.00 O ATOM 0 H ASP A 20 4.609 9.418 -8.962 1.00 0.00 H new ATOM 0 HA ASP A 20 2.663 9.842 -6.904 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.402 11.568 -8.509 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.770 10.622 -9.842 1.00 0.00 H new ATOM 320 N ASP A 21 2.125 7.514 -9.016 1.00 0.00 N ATOM 321 CA ASP A 21 1.249 6.402 -9.380 1.00 0.00 C ATOM 322 C ASP A 21 1.085 5.440 -8.204 1.00 0.00 C ATOM 323 O ASP A 21 0.218 4.565 -8.208 1.00 0.00 O ATOM 324 CB ASP A 21 1.834 5.669 -10.594 1.00 0.00 C ATOM 325 CG ASP A 21 1.071 4.414 -10.971 1.00 0.00 C ATOM 326 OD1 ASP A 21 -0.144 4.509 -11.248 1.00 0.00 O ATOM 327 OD2 ASP A 21 1.689 3.328 -11.007 1.00 0.00 O ATOM 0 H ASP A 21 3.086 7.408 -9.342 1.00 0.00 H new ATOM 0 HA ASP A 21 0.264 6.793 -9.636 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.845 6.348 -11.447 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.870 5.405 -10.384 1.00 0.00 H new ATOM 332 N GLU A 22 1.911 5.622 -7.186 1.00 0.00 N ATOM 333 CA GLU A 22 1.877 4.761 -6.015 1.00 0.00 C ATOM 334 C GLU A 22 0.999 5.358 -4.921 1.00 0.00 C ATOM 335 O GLU A 22 0.654 6.540 -4.955 1.00 0.00 O ATOM 336 CB GLU A 22 3.293 4.512 -5.491 1.00 0.00 C ATOM 337 CG GLU A 22 4.126 3.633 -6.409 1.00 0.00 C ATOM 338 CD GLU A 22 5.536 3.406 -5.902 1.00 0.00 C ATOM 339 OE1 GLU A 22 6.349 4.357 -5.927 1.00 0.00 O ATOM 340 OE2 GLU A 22 5.847 2.266 -5.502 1.00 0.00 O ATOM 0 H GLU A 22 2.614 6.360 -7.147 1.00 0.00 H new ATOM 0 HA GLU A 22 1.443 3.806 -6.311 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.798 5.469 -5.359 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.233 4.045 -4.508 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.630 2.670 -6.527 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.172 4.091 -7.397 1.00 0.00 H new ATOM 347 N LEU A 23 0.645 4.526 -3.956 1.00 0.00 N ATOM 348 CA LEU A 23 -0.296 4.907 -2.915 1.00 0.00 C ATOM 349 C LEU A 23 0.449 5.330 -1.657 1.00 0.00 C ATOM 350 O LEU A 23 1.428 4.695 -1.260 1.00 0.00 O ATOM 351 CB LEU A 23 -1.239 3.727 -2.616 1.00 0.00 C ATOM 352 CG LEU A 23 -2.609 4.095 -2.027 1.00 0.00 C ATOM 353 CD1 LEU A 23 -2.505 4.458 -0.556 1.00 0.00 C ATOM 354 CD2 LEU A 23 -3.219 5.238 -2.816 1.00 0.00 C ATOM 0 H LEU A 23 0.999 3.573 -3.872 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.888 5.755 -3.259 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.400 3.172 -3.541 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.737 3.052 -1.923 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.257 3.222 -2.102 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.493 4.713 -0.173 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.108 3.609 0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.839 5.313 -0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.190 5.494 -2.393 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.561 6.106 -2.767 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.344 4.936 -3.856 1.00 0.00 H new ATOM 366 N GLU A 24 -0.025 6.399 -1.032 1.00 0.00 N ATOM 367 CA GLU A 24 0.587 6.897 0.186 1.00 0.00 C ATOM 368 C GLU A 24 0.204 6.037 1.370 1.00 0.00 C ATOM 369 O GLU A 24 -0.962 5.964 1.751 1.00 0.00 O ATOM 370 CB GLU A 24 0.171 8.338 0.459 1.00 0.00 C ATOM 371 CG GLU A 24 1.253 9.340 0.130 1.00 0.00 C ATOM 372 CD GLU A 24 0.881 10.748 0.538 1.00 0.00 C ATOM 373 OE1 GLU A 24 1.020 11.085 1.737 1.00 0.00 O ATOM 374 OE2 GLU A 24 0.454 11.528 -0.330 1.00 0.00 O ATOM 0 H GLU A 24 -0.832 6.936 -1.351 1.00 0.00 H new ATOM 0 HA GLU A 24 1.667 6.859 0.046 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.720 8.569 -0.125 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.101 8.438 1.510 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.176 9.051 0.633 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.452 9.316 -0.941 1.00 0.00 H new ATOM 381 N LEU A 25 1.196 5.400 1.955 1.00 0.00 N ATOM 382 CA LEU A 25 0.967 4.546 3.102 1.00 0.00 C ATOM 383 C LEU A 25 1.220 5.342 4.363 1.00 0.00 C ATOM 384 O LEU A 25 2.225 6.038 4.474 1.00 0.00 O ATOM 385 CB LEU A 25 1.876 3.323 3.056 1.00 0.00 C ATOM 386 CG LEU A 25 1.791 2.514 1.761 1.00 0.00 C ATOM 387 CD1 LEU A 25 2.854 1.432 1.735 1.00 0.00 C ATOM 388 CD2 LEU A 25 0.405 1.902 1.600 1.00 0.00 C ATOM 0 H LEU A 25 2.169 5.457 1.655 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.065 4.195 3.089 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.907 3.647 3.199 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.628 2.671 3.893 1.00 0.00 H new ATOM 0 HG LEU A 25 1.968 3.191 0.925 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.776 0.868 0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.841 1.890 1.800 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.709 0.760 2.581 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.365 1.331 0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.199 1.242 2.442 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.342 2.695 1.570 1.00 0.00 H new ATOM 400 N ARG A 26 0.301 5.277 5.295 1.00 0.00 N ATOM 401 CA ARG A 26 0.452 5.989 6.548 1.00 0.00 C ATOM 402 C ARG A 26 0.143 5.051 7.692 1.00 0.00 C ATOM 403 O ARG A 26 -0.774 4.238 7.596 1.00 0.00 O ATOM 404 CB ARG A 26 -0.478 7.202 6.591 1.00 0.00 C ATOM 405 CG ARG A 26 -0.363 8.085 5.365 1.00 0.00 C ATOM 406 CD ARG A 26 -1.208 9.335 5.493 1.00 0.00 C ATOM 407 NE ARG A 26 -0.993 10.243 4.367 1.00 0.00 N ATOM 408 CZ ARG A 26 -1.827 11.221 4.016 1.00 0.00 C ATOM 409 NH1 ARG A 26 -2.916 11.470 4.736 1.00 0.00 N ATOM 410 NH2 ARG A 26 -1.563 11.959 2.945 1.00 0.00 N ATOM 0 H ARG A 26 -0.562 4.739 5.213 1.00 0.00 H new ATOM 0 HA ARG A 26 1.478 6.346 6.637 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.508 6.859 6.689 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -0.253 7.793 7.479 1.00 0.00 H new ATOM 0 HG2 ARG A 26 0.680 8.365 5.215 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -0.673 7.525 4.483 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -2.261 9.060 5.544 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -0.966 9.846 6.425 1.00 0.00 H new ATOM 0 HE ARG A 26 -0.146 10.119 3.812 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.119 10.910 5.564 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.549 12.221 4.460 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.724 11.776 2.394 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -2.199 12.709 2.673 1.00 0.00 H new ATOM 424 N ASP A 27 0.917 5.173 8.756 1.00 0.00 N ATOM 425 CA ASP A 27 0.784 4.312 9.929 1.00 0.00 C ATOM 426 C ASP A 27 -0.667 4.214 10.392 1.00 0.00 C ATOM 427 O ASP A 27 -1.227 5.170 10.927 1.00 0.00 O ATOM 428 CB ASP A 27 1.673 4.835 11.067 1.00 0.00 C ATOM 429 CG ASP A 27 1.415 4.153 12.405 1.00 0.00 C ATOM 430 OD1 ASP A 27 2.023 3.096 12.672 1.00 0.00 O ATOM 431 OD2 ASP A 27 0.615 4.681 13.207 1.00 0.00 O ATOM 0 H ASP A 27 1.657 5.870 8.836 1.00 0.00 H new ATOM 0 HA ASP A 27 1.109 3.310 9.649 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.719 4.696 10.793 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.513 5.907 11.178 1.00 0.00 H new ATOM 436 N GLY A 28 -1.274 3.059 10.143 1.00 0.00 N ATOM 437 CA GLY A 28 -2.622 2.807 10.609 1.00 0.00 C ATOM 438 C GLY A 28 -3.697 2.971 9.548 1.00 0.00 C ATOM 439 O GLY A 28 -4.869 2.708 9.812 1.00 0.00 O ATOM 0 H GLY A 28 -0.852 2.289 9.623 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.672 1.793 11.005 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.839 3.483 11.436 1.00 0.00 H new ATOM 443 N ASP A 29 -3.327 3.415 8.354 1.00 0.00 N ATOM 444 CA ASP A 29 -4.309 3.590 7.284 1.00 0.00 C ATOM 445 C ASP A 29 -4.565 2.266 6.571 1.00 0.00 C ATOM 446 O ASP A 29 -3.659 1.448 6.425 1.00 0.00 O ATOM 447 CB ASP A 29 -3.845 4.645 6.278 1.00 0.00 C ATOM 448 CG ASP A 29 -4.987 5.130 5.406 1.00 0.00 C ATOM 449 OD1 ASP A 29 -5.948 5.697 5.968 1.00 0.00 O ATOM 450 OD2 ASP A 29 -4.941 4.937 4.174 1.00 0.00 O ATOM 0 H ASP A 29 -2.369 3.658 8.101 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.239 3.933 7.738 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.410 5.490 6.812 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.059 4.227 5.649 1.00 0.00 H new ATOM 455 N ILE A 30 -5.802 2.048 6.143 1.00 0.00 N ATOM 456 CA ILE A 30 -6.171 0.806 5.480 1.00 0.00 C ATOM 457 C ILE A 30 -6.176 0.978 3.965 1.00 0.00 C ATOM 458 O ILE A 30 -6.576 2.016 3.444 1.00 0.00 O ATOM 459 CB ILE A 30 -7.558 0.287 5.955 1.00 0.00 C ATOM 460 CG1 ILE A 30 -7.471 -0.261 7.377 1.00 0.00 C ATOM 461 CG2 ILE A 30 -8.106 -0.782 5.023 1.00 0.00 C ATOM 462 CD1 ILE A 30 -7.529 0.803 8.446 1.00 0.00 C ATOM 0 H ILE A 30 -6.566 2.716 6.244 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.419 0.065 5.753 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.243 1.135 5.940 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.287 -0.966 7.535 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.542 -0.820 7.484 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.076 -1.120 5.388 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -8.219 -0.368 4.021 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -7.416 -1.625 4.991 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.462 0.336 9.428 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.697 1.495 8.316 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -8.470 1.347 8.367 1.00 0.00 H new ATOM 474 N VAL A 31 -5.705 -0.042 3.270 1.00 0.00 N ATOM 475 CA VAL A 31 -5.721 -0.061 1.815 1.00 0.00 C ATOM 476 C VAL A 31 -6.343 -1.356 1.305 1.00 0.00 C ATOM 477 O VAL A 31 -5.931 -2.449 1.702 1.00 0.00 O ATOM 478 CB VAL A 31 -4.302 0.101 1.223 1.00 0.00 C ATOM 479 CG1 VAL A 31 -4.283 -0.236 -0.262 1.00 0.00 C ATOM 480 CG2 VAL A 31 -3.798 1.517 1.431 1.00 0.00 C ATOM 0 H VAL A 31 -5.302 -0.878 3.694 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.324 0.786 1.488 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.645 -0.595 1.745 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.272 -0.113 -0.650 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.603 -1.268 -0.405 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.960 0.431 -0.795 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.798 1.613 1.008 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.470 2.219 0.937 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.764 1.738 2.498 1.00 0.00 H new ATOM 490 N ASP A 32 -7.341 -1.224 0.441 1.00 0.00 N ATOM 491 CA ASP A 32 -7.961 -2.379 -0.197 1.00 0.00 C ATOM 492 C ASP A 32 -7.174 -2.736 -1.444 1.00 0.00 C ATOM 493 O ASP A 32 -7.097 -1.938 -2.377 1.00 0.00 O ATOM 494 CB ASP A 32 -9.411 -2.080 -0.607 1.00 0.00 C ATOM 495 CG ASP A 32 -10.242 -1.444 0.496 1.00 0.00 C ATOM 496 OD1 ASP A 32 -10.563 -2.132 1.489 1.00 0.00 O ATOM 497 OD2 ASP A 32 -10.594 -0.254 0.363 1.00 0.00 O ATOM 0 H ASP A 32 -7.740 -0.327 0.165 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.961 -3.203 0.517 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.405 -1.417 -1.472 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.889 -3.008 -0.920 1.00 0.00 H new ATOM 502 N VAL A 33 -6.580 -3.918 -1.467 1.00 0.00 N ATOM 503 CA VAL A 33 -5.803 -4.338 -2.620 1.00 0.00 C ATOM 504 C VAL A 33 -6.696 -5.028 -3.654 1.00 0.00 C ATOM 505 O VAL A 33 -7.317 -6.049 -3.375 1.00 0.00 O ATOM 506 CB VAL A 33 -4.628 -5.269 -2.211 1.00 0.00 C ATOM 507 CG1 VAL A 33 -5.079 -6.400 -1.303 1.00 0.00 C ATOM 508 CG2 VAL A 33 -3.931 -5.817 -3.441 1.00 0.00 C ATOM 0 H VAL A 33 -6.620 -4.598 -0.708 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.376 -3.441 -3.070 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.921 -4.665 -1.643 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.223 -7.023 -1.045 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.513 -5.985 -0.393 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.825 -7.005 -1.818 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.111 -6.467 -3.135 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.642 -6.387 -4.039 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.538 -4.992 -4.035 1.00 0.00 H new ATOM 518 N MET A 34 -6.719 -4.483 -4.867 1.00 0.00 N ATOM 519 CA MET A 34 -7.562 -5.025 -5.923 1.00 0.00 C ATOM 520 C MET A 34 -6.750 -5.933 -6.839 1.00 0.00 C ATOM 521 O MET A 34 -7.209 -6.997 -7.242 1.00 0.00 O ATOM 522 CB MET A 34 -8.217 -3.913 -6.751 1.00 0.00 C ATOM 523 CG MET A 34 -7.280 -3.275 -7.763 1.00 0.00 C ATOM 524 SD MET A 34 -8.144 -2.416 -9.088 1.00 0.00 S ATOM 525 CE MET A 34 -6.837 -2.337 -10.312 1.00 0.00 C ATOM 0 H MET A 34 -6.166 -3.671 -5.140 1.00 0.00 H new ATOM 0 HA MET A 34 -8.352 -5.604 -5.444 1.00 0.00 H new ATOM 0 HB2 MET A 34 -9.080 -4.323 -7.276 1.00 0.00 H new ATOM 0 HB3 MET A 34 -8.590 -3.142 -6.077 1.00 0.00 H new ATOM 0 HG2 MET A 34 -6.626 -2.571 -7.249 1.00 0.00 H new ATOM 0 HG3 MET A 34 -6.642 -4.046 -8.194 1.00 0.00 H new ATOM 0 HE1 MET A 34 -7.156 -1.710 -11.145 1.00 0.00 H new ATOM 0 HE2 MET A 34 -5.941 -1.912 -9.860 1.00 0.00 H new ATOM 0 HE3 MET A 34 -6.619 -3.341 -10.676 1.00 0.00 H new ATOM 535 N GLU A 35 -5.531 -5.510 -7.153 1.00 0.00 N ATOM 536 CA GLU A 35 -4.688 -6.253 -8.064 1.00 0.00 C ATOM 537 C GLU A 35 -3.439 -6.691 -7.344 1.00 0.00 C ATOM 538 O GLU A 35 -2.789 -5.908 -6.653 1.00 0.00 O ATOM 539 CB GLU A 35 -4.349 -5.419 -9.291 1.00 0.00 C ATOM 540 CG GLU A 35 -3.681 -6.215 -10.392 1.00 0.00 C ATOM 541 CD GLU A 35 -3.361 -5.370 -11.607 1.00 0.00 C ATOM 542 OE1 GLU A 35 -4.272 -5.154 -12.438 1.00 0.00 O ATOM 543 OE2 GLU A 35 -2.206 -4.917 -11.737 1.00 0.00 O ATOM 0 H GLU A 35 -5.110 -4.656 -6.787 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.225 -7.136 -8.409 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.263 -4.970 -9.680 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.693 -4.600 -8.995 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.761 -6.658 -10.009 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.332 -7.038 -10.687 1.00 0.00 H new ATOM 550 N LYS A 36 -3.128 -7.952 -7.490 1.00 0.00 N ATOM 551 CA LYS A 36 -2.056 -8.560 -6.729 1.00 0.00 C ATOM 552 C LYS A 36 -0.963 -9.074 -7.653 1.00 0.00 C ATOM 553 O LYS A 36 -1.145 -10.053 -8.378 1.00 0.00 O ATOM 554 CB LYS A 36 -2.629 -9.671 -5.847 1.00 0.00 C ATOM 555 CG LYS A 36 -3.709 -9.153 -4.902 1.00 0.00 C ATOM 556 CD LYS A 36 -4.343 -10.262 -4.088 1.00 0.00 C ATOM 557 CE LYS A 36 -5.374 -9.716 -3.105 1.00 0.00 C ATOM 558 NZ LYS A 36 -6.507 -9.023 -3.785 1.00 0.00 N ATOM 0 H LYS A 36 -3.603 -8.586 -8.133 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.596 -7.812 -6.083 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.046 -10.456 -6.478 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.825 -10.123 -5.266 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.275 -8.414 -4.229 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.480 -8.644 -5.480 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.820 -10.978 -4.757 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.569 -10.802 -3.542 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.764 -10.536 -2.502 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.886 -9.021 -2.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.234 -8.776 -3.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.159 -8.156 -4.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.918 -9.653 -4.503 1.00 0.00 H new ATOM 572 N CYS A 37 0.171 -8.387 -7.626 1.00 0.00 N ATOM 573 CA CYS A 37 1.284 -8.692 -8.513 1.00 0.00 C ATOM 574 C CYS A 37 2.074 -9.890 -8.008 1.00 0.00 C ATOM 575 O CYS A 37 2.072 -10.204 -6.816 1.00 0.00 O ATOM 576 CB CYS A 37 2.206 -7.482 -8.621 1.00 0.00 C ATOM 577 SG CYS A 37 1.345 -5.932 -8.975 1.00 0.00 S ATOM 0 H CYS A 37 0.344 -7.607 -6.992 1.00 0.00 H new ATOM 0 HA CYS A 37 0.879 -8.935 -9.495 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.758 -7.374 -7.687 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.940 -7.666 -9.406 1.00 0.00 H new ATOM 0 HG CYS A 37 1.379 -5.167 -7.925 1.00 0.00 H new ATOM 583 N ASP A 38 2.778 -10.527 -8.933 1.00 0.00 N ATOM 584 CA ASP A 38 3.523 -11.749 -8.661 1.00 0.00 C ATOM 585 C ASP A 38 4.785 -11.467 -7.857 1.00 0.00 C ATOM 586 O ASP A 38 5.379 -12.384 -7.290 1.00 0.00 O ATOM 587 CB ASP A 38 3.906 -12.431 -9.977 1.00 0.00 C ATOM 588 CG ASP A 38 4.946 -11.642 -10.752 1.00 0.00 C ATOM 589 OD1 ASP A 38 4.687 -10.466 -11.078 1.00 0.00 O ATOM 590 OD2 ASP A 38 6.026 -12.196 -11.041 1.00 0.00 O ATOM 0 H ASP A 38 2.849 -10.209 -9.899 1.00 0.00 H new ATOM 0 HA ASP A 38 2.880 -12.404 -8.074 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.291 -13.429 -9.768 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.015 -12.556 -10.592 1.00 0.00 H new ATOM 595 N ASP A 39 5.194 -10.204 -7.809 1.00 0.00 N ATOM 596 CA ASP A 39 6.438 -9.845 -7.140 1.00 0.00 C ATOM 597 C ASP A 39 6.196 -9.428 -5.690 1.00 0.00 C ATOM 598 O ASP A 39 7.143 -9.240 -4.929 1.00 0.00 O ATOM 599 CB ASP A 39 7.160 -8.734 -7.906 1.00 0.00 C ATOM 600 CG ASP A 39 8.617 -8.603 -7.494 1.00 0.00 C ATOM 601 OD1 ASP A 39 9.322 -9.634 -7.460 1.00 0.00 O ATOM 602 OD2 ASP A 39 9.063 -7.475 -7.200 1.00 0.00 O ATOM 0 H ASP A 39 4.688 -9.420 -8.221 1.00 0.00 H new ATOM 0 HA ASP A 39 7.074 -10.730 -7.128 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.104 -8.937 -8.975 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.649 -7.786 -7.734 1.00 0.00 H new ATOM 607 N GLY A 40 4.930 -9.280 -5.303 1.00 0.00 N ATOM 608 CA GLY A 40 4.623 -9.070 -3.896 1.00 0.00 C ATOM 609 C GLY A 40 4.148 -7.668 -3.584 1.00 0.00 C ATOM 610 O GLY A 40 3.580 -7.422 -2.519 1.00 0.00 O ATOM 0 H GLY A 40 4.123 -9.301 -5.926 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.856 -9.781 -3.590 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.512 -9.284 -3.303 1.00 0.00 H new ATOM 614 N TRP A 41 4.398 -6.742 -4.491 1.00 0.00 N ATOM 615 CA TRP A 41 3.892 -5.386 -4.342 1.00 0.00 C ATOM 616 C TRP A 41 2.527 -5.310 -5.013 1.00 0.00 C ATOM 617 O TRP A 41 2.357 -5.797 -6.125 1.00 0.00 O ATOM 618 CB TRP A 41 4.858 -4.375 -4.958 1.00 0.00 C ATOM 619 CG TRP A 41 6.300 -4.771 -4.817 1.00 0.00 C ATOM 620 CD1 TRP A 41 7.145 -5.111 -5.833 1.00 0.00 C ATOM 621 CD2 TRP A 41 7.065 -4.897 -3.603 1.00 0.00 C ATOM 622 NE1 TRP A 41 8.381 -5.429 -5.335 1.00 0.00 N ATOM 623 CE2 TRP A 41 8.362 -5.306 -3.974 1.00 0.00 C ATOM 624 CE3 TRP A 41 6.790 -4.698 -2.240 1.00 0.00 C ATOM 625 CZ2 TRP A 41 9.371 -5.527 -3.041 1.00 0.00 C ATOM 626 CZ3 TRP A 41 7.797 -4.918 -1.319 1.00 0.00 C ATOM 627 CH2 TRP A 41 9.073 -5.326 -1.723 1.00 0.00 C ATOM 0 H TRP A 41 4.946 -6.901 -5.336 1.00 0.00 H new ATOM 0 HA TRP A 41 3.798 -5.140 -3.284 1.00 0.00 H new ATOM 0 HB2 TRP A 41 4.623 -4.256 -6.016 1.00 0.00 H new ATOM 0 HB3 TRP A 41 4.707 -3.404 -4.486 1.00 0.00 H new ATOM 0 HD1 TRP A 41 6.878 -5.127 -6.879 1.00 0.00 H new ATOM 0 HE1 TRP A 41 9.187 -5.713 -5.892 1.00 0.00 H new ATOM 0 HE3 TRP A 41 5.810 -4.379 -1.918 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 10.356 -5.846 -3.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 7.595 -4.772 -0.268 1.00 0.00 H new ATOM 0 HH2 TRP A 41 9.838 -5.485 -0.978 1.00 0.00 H new ATOM 638 N PHE A 42 1.560 -4.715 -4.346 1.00 0.00 N ATOM 639 CA PHE A 42 0.173 -4.857 -4.750 1.00 0.00 C ATOM 640 C PHE A 42 -0.443 -3.531 -5.188 1.00 0.00 C ATOM 641 O PHE A 42 0.128 -2.467 -4.977 1.00 0.00 O ATOM 642 CB PHE A 42 -0.627 -5.456 -3.598 1.00 0.00 C ATOM 643 CG PHE A 42 -0.158 -6.820 -3.161 1.00 0.00 C ATOM 644 CD1 PHE A 42 0.164 -7.800 -4.093 1.00 0.00 C ATOM 645 CD2 PHE A 42 -0.054 -7.127 -1.814 1.00 0.00 C ATOM 646 CE1 PHE A 42 0.581 -9.052 -3.685 1.00 0.00 C ATOM 647 CE2 PHE A 42 0.366 -8.377 -1.403 1.00 0.00 C ATOM 648 CZ PHE A 42 0.683 -9.340 -2.339 1.00 0.00 C ATOM 0 H PHE A 42 1.706 -4.130 -3.524 1.00 0.00 H new ATOM 0 HA PHE A 42 0.141 -5.521 -5.614 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -0.579 -4.778 -2.746 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.674 -5.522 -3.894 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.087 -7.580 -5.148 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.305 -6.379 -1.076 1.00 0.00 H new ATOM 0 HE1 PHE A 42 0.827 -9.805 -4.419 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.446 -8.601 -0.349 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.011 -10.318 -2.019 1.00 0.00 H new ATOM 658 N VAL A 43 -1.604 -3.616 -5.824 1.00 0.00 N ATOM 659 CA VAL A 43 -2.351 -2.443 -6.245 1.00 0.00 C ATOM 660 C VAL A 43 -3.610 -2.297 -5.414 1.00 0.00 C ATOM 661 O VAL A 43 -4.392 -3.238 -5.285 1.00 0.00 O ATOM 662 CB VAL A 43 -2.716 -2.514 -7.743 1.00 0.00 C ATOM 663 CG1 VAL A 43 -3.980 -1.725 -8.060 1.00 0.00 C ATOM 664 CG2 VAL A 43 -1.571 -1.961 -8.547 1.00 0.00 C ATOM 0 H VAL A 43 -2.052 -4.501 -6.061 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.714 -1.572 -6.092 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.904 -3.557 -7.998 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.200 -1.802 -9.125 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.815 -2.129 -7.487 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.831 -0.678 -7.795 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.816 -2.006 -9.608 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.391 -0.925 -8.259 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.674 -2.551 -8.357 1.00 0.00 H new ATOM 674 N GLY A 44 -3.811 -1.110 -4.872 1.00 0.00 N ATOM 675 CA GLY A 44 -4.891 -0.908 -3.935 1.00 0.00 C ATOM 676 C GLY A 44 -5.389 0.520 -3.904 1.00 0.00 C ATOM 677 O GLY A 44 -4.948 1.365 -4.689 1.00 0.00 O ATOM 0 H GLY A 44 -3.246 -0.283 -5.064 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.718 -1.569 -4.194 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.556 -1.192 -2.937 1.00 0.00 H new ATOM 681 N THR A 45 -6.313 0.782 -2.998 1.00 0.00 N ATOM 682 CA THR A 45 -6.865 2.104 -2.806 1.00 0.00 C ATOM 683 C THR A 45 -6.855 2.452 -1.327 1.00 0.00 C ATOM 684 O THR A 45 -7.112 1.598 -0.479 1.00 0.00 O ATOM 685 CB THR A 45 -8.304 2.176 -3.348 1.00 0.00 C ATOM 686 OG1 THR A 45 -8.304 1.911 -4.755 1.00 0.00 O ATOM 687 CG2 THR A 45 -8.936 3.534 -3.080 1.00 0.00 C ATOM 0 H THR A 45 -6.702 0.077 -2.372 1.00 0.00 H new ATOM 0 HA THR A 45 -6.252 2.820 -3.354 1.00 0.00 H new ATOM 0 HB THR A 45 -8.897 1.422 -2.829 1.00 0.00 H new ATOM 0 HG1 THR A 45 -9.222 1.956 -5.096 1.00 0.00 H new ATOM 0 HG21 THR A 45 -9.951 3.548 -3.477 1.00 0.00 H new ATOM 0 HG22 THR A 45 -8.964 3.717 -2.006 1.00 0.00 H new ATOM 0 HG23 THR A 45 -8.346 4.312 -3.565 1.00 0.00 H new ATOM 695 N SER A 46 -6.548 3.700 -1.026 1.00 0.00 N ATOM 696 CA SER A 46 -6.508 4.156 0.348 1.00 0.00 C ATOM 697 C SER A 46 -7.925 4.293 0.882 1.00 0.00 C ATOM 698 O SER A 46 -8.783 4.887 0.239 1.00 0.00 O ATOM 699 CB SER A 46 -5.779 5.492 0.443 1.00 0.00 C ATOM 700 OG SER A 46 -5.809 5.999 1.770 1.00 0.00 O ATOM 0 H SER A 46 -6.323 4.416 -1.717 1.00 0.00 H new ATOM 0 HA SER A 46 -5.967 3.425 0.949 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.745 5.369 0.121 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.241 6.210 -0.234 1.00 0.00 H new ATOM 0 HG SER A 46 -5.411 5.343 2.380 1.00 0.00 H new ATOM 706 N ARG A 47 -8.161 3.729 2.050 1.00 0.00 N ATOM 707 CA ARG A 47 -9.478 3.743 2.665 1.00 0.00 C ATOM 708 C ARG A 47 -9.850 5.145 3.139 1.00 0.00 C ATOM 709 O ARG A 47 -11.027 5.492 3.217 1.00 0.00 O ATOM 710 CB ARG A 47 -9.490 2.775 3.847 1.00 0.00 C ATOM 711 CG ARG A 47 -10.857 2.551 4.458 1.00 0.00 C ATOM 712 CD ARG A 47 -10.738 1.919 5.833 1.00 0.00 C ATOM 713 NE ARG A 47 -12.046 1.603 6.397 1.00 0.00 N ATOM 714 CZ ARG A 47 -12.324 1.641 7.698 1.00 0.00 C ATOM 715 NH1 ARG A 47 -11.381 1.965 8.574 1.00 0.00 N ATOM 716 NH2 ARG A 47 -13.549 1.359 8.120 1.00 0.00 N ATOM 0 H ARG A 47 -7.449 3.249 2.600 1.00 0.00 H new ATOM 0 HA ARG A 47 -10.213 3.433 1.922 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -9.090 1.815 3.519 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -8.819 3.153 4.618 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -11.386 3.501 4.534 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -11.450 1.908 3.808 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -10.142 1.009 5.765 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -10.208 2.598 6.501 1.00 0.00 H new ATOM 0 HE ARG A 47 -12.793 1.337 5.755 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.439 2.186 8.251 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.598 1.993 9.570 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -14.276 1.114 7.448 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -13.764 1.387 9.117 1.00 0.00 H new ATOM 730 N ARG A 48 -8.844 5.940 3.483 1.00 0.00 N ATOM 731 CA ARG A 48 -9.084 7.267 4.034 1.00 0.00 C ATOM 732 C ARG A 48 -9.197 8.327 2.943 1.00 0.00 C ATOM 733 O ARG A 48 -10.165 9.086 2.898 1.00 0.00 O ATOM 734 CB ARG A 48 -7.951 7.636 4.977 1.00 0.00 C ATOM 735 CG ARG A 48 -8.322 8.671 6.014 1.00 0.00 C ATOM 736 CD ARG A 48 -7.090 9.118 6.765 1.00 0.00 C ATOM 737 NE ARG A 48 -6.331 7.987 7.298 1.00 0.00 N ATOM 738 CZ ARG A 48 -5.707 7.991 8.472 1.00 0.00 C ATOM 739 NH1 ARG A 48 -5.816 9.033 9.287 1.00 0.00 N ATOM 740 NH2 ARG A 48 -4.983 6.940 8.835 1.00 0.00 N ATOM 0 H ARG A 48 -7.859 5.690 3.391 1.00 0.00 H new ATOM 0 HA ARG A 48 -10.032 7.237 4.570 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -7.608 6.735 5.485 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -7.112 8.010 4.390 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.794 9.527 5.532 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.051 8.255 6.710 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.452 9.701 6.101 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.383 9.775 7.583 1.00 0.00 H new ATOM 0 HE ARG A 48 -6.277 7.140 6.732 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -6.381 9.837 9.014 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -5.335 9.030 10.186 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -4.907 6.134 8.214 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -4.502 6.938 9.735 1.00 0.00 H new ATOM 754 N THR A 49 -8.212 8.365 2.052 1.00 0.00 N ATOM 755 CA THR A 49 -8.152 9.406 1.032 1.00 0.00 C ATOM 756 C THR A 49 -8.663 8.905 -0.321 1.00 0.00 C ATOM 757 O THR A 49 -8.803 9.673 -1.273 1.00 0.00 O ATOM 758 CB THR A 49 -6.719 9.998 0.906 1.00 0.00 C ATOM 759 OG1 THR A 49 -6.518 10.620 -0.371 1.00 0.00 O ATOM 760 CG2 THR A 49 -5.660 8.936 1.117 1.00 0.00 C ATOM 0 H THR A 49 -7.448 7.691 2.015 1.00 0.00 H new ATOM 0 HA THR A 49 -8.816 10.208 1.355 1.00 0.00 H new ATOM 0 HB THR A 49 -6.624 10.753 1.686 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.384 10.756 -0.809 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.671 9.384 1.022 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.769 8.506 2.113 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.776 8.152 0.368 1.00 0.00 H new ATOM 768 N LYS A 50 -8.927 7.600 -0.391 1.00 0.00 N ATOM 769 CA LYS A 50 -9.578 6.981 -1.546 1.00 0.00 C ATOM 770 C LYS A 50 -8.789 7.200 -2.830 1.00 0.00 C ATOM 771 O LYS A 50 -9.365 7.391 -3.901 1.00 0.00 O ATOM 772 CB LYS A 50 -11.008 7.498 -1.722 1.00 0.00 C ATOM 773 CG LYS A 50 -11.906 7.339 -0.496 1.00 0.00 C ATOM 774 CD LYS A 50 -11.829 5.952 0.134 1.00 0.00 C ATOM 775 CE LYS A 50 -12.021 4.835 -0.878 1.00 0.00 C ATOM 776 NZ LYS A 50 -13.290 4.964 -1.647 1.00 0.00 N ATOM 0 H LYS A 50 -8.695 6.941 0.353 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.612 5.910 -1.346 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.967 8.554 -1.989 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.467 6.975 -2.561 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.627 8.084 0.249 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.938 7.544 -0.781 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.861 5.832 0.621 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.589 5.868 0.910 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.180 4.831 -1.572 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -12.011 3.876 -0.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.514 4.056 -2.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -14.062 5.228 -1.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.181 5.698 -2.375 1.00 0.00 H new ATOM 790 N GLN A 51 -7.470 7.168 -2.721 1.00 0.00 N ATOM 791 CA GLN A 51 -6.616 7.286 -3.889 1.00 0.00 C ATOM 792 C GLN A 51 -6.236 5.904 -4.384 1.00 0.00 C ATOM 793 O GLN A 51 -6.142 4.963 -3.594 1.00 0.00 O ATOM 794 CB GLN A 51 -5.368 8.130 -3.594 1.00 0.00 C ATOM 795 CG GLN A 51 -4.889 8.083 -2.151 1.00 0.00 C ATOM 796 CD GLN A 51 -3.603 8.867 -1.946 1.00 0.00 C ATOM 797 OE1 GLN A 51 -2.505 8.334 -2.102 1.00 0.00 O ATOM 798 NE2 GLN A 51 -3.728 10.134 -1.582 1.00 0.00 N ATOM 0 H GLN A 51 -6.970 7.062 -1.838 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.171 7.803 -4.672 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.558 7.793 -4.241 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.577 9.167 -3.858 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.665 8.485 -1.499 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.731 7.046 -1.856 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.656 10.541 -1.463 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.897 10.703 -1.421 1.00 0.00 H new ATOM 807 N PHE A 52 -6.039 5.781 -5.682 1.00 0.00 N ATOM 808 CA PHE A 52 -5.782 4.492 -6.299 1.00 0.00 C ATOM 809 C PHE A 52 -4.383 4.441 -6.900 1.00 0.00 C ATOM 810 O PHE A 52 -3.904 5.419 -7.477 1.00 0.00 O ATOM 811 CB PHE A 52 -6.844 4.215 -7.370 1.00 0.00 C ATOM 812 CG PHE A 52 -6.534 3.048 -8.262 1.00 0.00 C ATOM 813 CD1 PHE A 52 -6.500 1.757 -7.761 1.00 0.00 C ATOM 814 CD2 PHE A 52 -6.274 3.248 -9.608 1.00 0.00 C ATOM 815 CE1 PHE A 52 -6.214 0.692 -8.585 1.00 0.00 C ATOM 816 CE2 PHE A 52 -5.987 2.185 -10.436 1.00 0.00 C ATOM 817 CZ PHE A 52 -5.957 0.905 -9.924 1.00 0.00 C ATOM 0 H PHE A 52 -6.052 6.564 -6.335 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.838 3.719 -5.533 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.801 4.037 -6.879 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.963 5.106 -7.986 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.700 1.584 -6.714 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.297 4.249 -10.013 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.191 -0.310 -8.184 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.786 2.354 -11.484 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.732 0.070 -10.571 1.00 0.00 H new ATOM 827 N GLY A 53 -3.731 3.299 -6.740 1.00 0.00 N ATOM 828 CA GLY A 53 -2.426 3.096 -7.324 1.00 0.00 C ATOM 829 C GLY A 53 -1.781 1.827 -6.832 1.00 0.00 C ATOM 830 O GLY A 53 -2.462 0.897 -6.392 1.00 0.00 O ATOM 0 H GLY A 53 -4.089 2.504 -6.211 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.516 3.060 -8.410 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.785 3.945 -7.085 1.00 0.00 H new ATOM 834 N THR A 54 -0.469 1.802 -6.886 1.00 0.00 N ATOM 835 CA THR A 54 0.298 0.650 -6.459 1.00 0.00 C ATOM 836 C THR A 54 0.973 0.938 -5.124 1.00 0.00 C ATOM 837 O THR A 54 1.373 2.066 -4.853 1.00 0.00 O ATOM 838 CB THR A 54 1.356 0.279 -7.519 1.00 0.00 C ATOM 839 OG1 THR A 54 2.295 -0.680 -7.006 1.00 0.00 O ATOM 840 CG2 THR A 54 2.090 1.518 -8.010 1.00 0.00 C ATOM 0 H THR A 54 0.098 2.578 -7.227 1.00 0.00 H new ATOM 0 HA THR A 54 -0.382 -0.194 -6.339 1.00 0.00 H new ATOM 0 HB THR A 54 0.831 -0.173 -8.360 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.952 -0.898 -7.700 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.830 1.230 -8.756 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.376 2.211 -8.455 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.590 2.001 -7.171 1.00 0.00 H new ATOM 848 N PHE A 55 1.077 -0.069 -4.283 1.00 0.00 N ATOM 849 CA PHE A 55 1.683 0.103 -2.979 1.00 0.00 C ATOM 850 C PHE A 55 2.450 -1.146 -2.579 1.00 0.00 C ATOM 851 O PHE A 55 2.025 -2.273 -2.846 1.00 0.00 O ATOM 852 CB PHE A 55 0.622 0.426 -1.918 1.00 0.00 C ATOM 853 CG PHE A 55 -0.271 -0.736 -1.567 1.00 0.00 C ATOM 854 CD1 PHE A 55 -1.259 -1.161 -2.440 1.00 0.00 C ATOM 855 CD2 PHE A 55 -0.117 -1.404 -0.361 1.00 0.00 C ATOM 856 CE1 PHE A 55 -2.076 -2.228 -2.119 1.00 0.00 C ATOM 857 CE2 PHE A 55 -0.931 -2.471 -0.033 1.00 0.00 C ATOM 858 CZ PHE A 55 -1.912 -2.884 -0.914 1.00 0.00 C ATOM 0 H PHE A 55 0.750 -1.015 -4.478 1.00 0.00 H new ATOM 0 HA PHE A 55 2.377 0.941 -3.041 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.122 0.772 -1.013 1.00 0.00 H new ATOM 0 HB3 PHE A 55 0.004 1.250 -2.276 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.392 -0.652 -3.383 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.649 -1.086 0.330 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.842 -2.549 -2.809 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.801 -2.981 0.910 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.550 -3.718 -0.661 1.00 0.00 H new ATOM 868 N PRO A 56 3.609 -0.957 -1.958 1.00 0.00 N ATOM 869 CA PRO A 56 4.378 -2.050 -1.390 1.00 0.00 C ATOM 870 C PRO A 56 3.650 -2.669 -0.206 1.00 0.00 C ATOM 871 O PRO A 56 3.526 -2.042 0.848 1.00 0.00 O ATOM 872 CB PRO A 56 5.685 -1.391 -0.931 1.00 0.00 C ATOM 873 CG PRO A 56 5.701 -0.049 -1.582 1.00 0.00 C ATOM 874 CD PRO A 56 4.266 0.337 -1.778 1.00 0.00 C ATOM 0 HA PRO A 56 4.540 -2.857 -2.104 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.720 -1.302 0.155 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.550 -1.983 -1.230 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.219 0.680 -0.959 1.00 0.00 H new ATOM 0 HG3 PRO A 56 6.228 -0.085 -2.535 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.870 0.876 -0.917 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.135 0.982 -2.647 1.00 0.00 H new ATOM 882 N GLY A 57 3.184 -3.904 -0.374 1.00 0.00 N ATOM 883 CA GLY A 57 2.470 -4.586 0.700 1.00 0.00 C ATOM 884 C GLY A 57 3.395 -4.971 1.841 1.00 0.00 C ATOM 885 O GLY A 57 3.009 -5.683 2.766 1.00 0.00 O ATOM 0 H GLY A 57 3.286 -4.446 -1.232 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.678 -3.939 1.077 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.989 -5.481 0.305 1.00 0.00 H new ATOM 889 N ASN A 58 4.619 -4.473 1.767 1.00 0.00 N ATOM 890 CA ASN A 58 5.632 -4.714 2.775 1.00 0.00 C ATOM 891 C ASN A 58 5.355 -3.871 4.022 1.00 0.00 C ATOM 892 O ASN A 58 5.900 -4.126 5.093 1.00 0.00 O ATOM 893 CB ASN A 58 7.005 -4.369 2.187 1.00 0.00 C ATOM 894 CG ASN A 58 8.162 -4.860 3.039 1.00 0.00 C ATOM 895 OD1 ASN A 58 8.606 -6.002 2.906 1.00 0.00 O ATOM 896 ND2 ASN A 58 8.676 -3.997 3.903 1.00 0.00 N ATOM 0 H ASN A 58 4.938 -3.885 0.997 1.00 0.00 H new ATOM 0 HA ASN A 58 5.615 -5.763 3.069 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.086 -4.804 1.191 1.00 0.00 H new ATOM 0 HB3 ASN A 58 7.082 -3.288 2.070 1.00 0.00 H new ATOM 0 HD21 ASN A 58 9.467 -4.269 4.487 1.00 0.00 H new ATOM 0 HD22 ASN A 58 8.281 -3.060 3.984 1.00 0.00 H new ATOM 903 N TYR A 59 4.495 -2.867 3.874 1.00 0.00 N ATOM 904 CA TYR A 59 4.168 -1.970 4.980 1.00 0.00 C ATOM 905 C TYR A 59 2.716 -2.111 5.400 1.00 0.00 C ATOM 906 O TYR A 59 2.141 -1.176 5.944 1.00 0.00 O ATOM 907 CB TYR A 59 4.413 -0.509 4.596 1.00 0.00 C ATOM 908 CG TYR A 59 5.838 -0.178 4.241 1.00 0.00 C ATOM 909 CD1 TYR A 59 6.798 0.004 5.227 1.00 0.00 C ATOM 910 CD2 TYR A 59 6.222 -0.033 2.916 1.00 0.00 C ATOM 911 CE1 TYR A 59 8.099 0.320 4.902 1.00 0.00 C ATOM 912 CE2 TYR A 59 7.520 0.283 2.583 1.00 0.00 C ATOM 913 CZ TYR A 59 8.457 0.458 3.580 1.00 0.00 C ATOM 914 OH TYR A 59 9.754 0.771 3.257 1.00 0.00 O ATOM 0 H TYR A 59 4.012 -2.654 3.001 1.00 0.00 H new ATOM 0 HA TYR A 59 4.817 -2.251 5.809 1.00 0.00 H new ATOM 0 HB2 TYR A 59 3.775 -0.259 3.748 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.103 0.127 5.426 1.00 0.00 H new ATOM 0 HD1 TYR A 59 6.521 -0.104 6.265 1.00 0.00 H new ATOM 0 HD2 TYR A 59 5.491 -0.170 2.133 1.00 0.00 H new ATOM 0 HE1 TYR A 59 8.834 0.459 5.681 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.803 0.393 1.547 1.00 0.00 H new ATOM 0 HH TYR A 59 9.843 0.831 2.283 1.00 0.00 H new ATOM 924 N VAL A 60 2.121 -3.266 5.156 1.00 0.00 N ATOM 925 CA VAL A 60 0.717 -3.472 5.487 1.00 0.00 C ATOM 926 C VAL A 60 0.498 -4.869 6.050 1.00 0.00 C ATOM 927 O VAL A 60 1.293 -5.782 5.814 1.00 0.00 O ATOM 928 CB VAL A 60 -0.222 -3.238 4.274 1.00 0.00 C ATOM 929 CG1 VAL A 60 -0.222 -1.773 3.853 1.00 0.00 C ATOM 930 CG2 VAL A 60 0.170 -4.125 3.111 1.00 0.00 C ATOM 0 H VAL A 60 2.582 -4.072 4.733 1.00 0.00 H new ATOM 0 HA VAL A 60 0.463 -2.730 6.244 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.234 -3.501 4.582 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.889 -1.639 3.001 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.566 -1.156 4.683 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.788 -1.475 3.573 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.502 -3.944 2.272 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.194 -3.900 2.811 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.101 -5.171 3.411 1.00 0.00 H new ATOM 940 N LYS A 61 -0.569 -5.018 6.810 1.00 0.00 N ATOM 941 CA LYS A 61 -0.889 -6.279 7.463 1.00 0.00 C ATOM 942 C LYS A 61 -2.309 -6.713 7.129 1.00 0.00 C ATOM 943 O LYS A 61 -3.217 -5.883 7.055 1.00 0.00 O ATOM 944 CB LYS A 61 -0.725 -6.150 8.980 1.00 0.00 C ATOM 945 CG LYS A 61 -0.939 -4.741 9.503 1.00 0.00 C ATOM 946 CD LYS A 61 -1.155 -4.683 11.012 1.00 0.00 C ATOM 947 CE LYS A 61 -0.090 -5.434 11.809 1.00 0.00 C ATOM 948 NZ LYS A 61 -0.304 -6.907 11.827 1.00 0.00 N ATOM 0 H LYS A 61 -1.240 -4.272 6.994 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.198 -7.038 7.095 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.431 -6.820 9.470 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.275 -6.482 9.257 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.075 -4.129 9.243 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.802 -4.302 9.002 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.167 -3.640 11.330 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.135 -5.099 11.247 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.891 -5.221 11.384 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.082 -5.062 12.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.154 -7.268 12.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.276 -7.120 11.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.368 -7.363 11.178 1.00 0.00 H new ATOM 962 N PRO A 62 -2.509 -8.025 6.921 1.00 0.00 N ATOM 963 CA PRO A 62 -3.806 -8.588 6.535 1.00 0.00 C ATOM 964 C PRO A 62 -4.897 -8.327 7.565 1.00 0.00 C ATOM 965 O PRO A 62 -4.699 -8.519 8.769 1.00 0.00 O ATOM 966 CB PRO A 62 -3.536 -10.091 6.418 1.00 0.00 C ATOM 967 CG PRO A 62 -2.059 -10.218 6.286 1.00 0.00 C ATOM 968 CD PRO A 62 -1.480 -9.069 7.052 1.00 0.00 C ATOM 0 HA PRO A 62 -4.174 -8.134 5.615 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -3.899 -10.625 7.296 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.046 -10.516 5.553 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -1.711 -11.170 6.687 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -1.756 -10.183 5.240 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -1.301 -9.330 8.095 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -0.525 -8.748 6.636 1.00 0.00 H new ATOM 976 N LEU A 63 -6.043 -7.872 7.082 1.00 0.00 N ATOM 977 CA LEU A 63 -7.201 -7.644 7.932 1.00 0.00 C ATOM 978 C LEU A 63 -8.358 -8.522 7.487 1.00 0.00 C ATOM 979 O LEU A 63 -8.213 -9.307 6.551 1.00 0.00 O ATOM 980 CB LEU A 63 -7.635 -6.182 7.872 1.00 0.00 C ATOM 981 CG LEU A 63 -6.568 -5.154 8.219 1.00 0.00 C ATOM 982 CD1 LEU A 63 -7.147 -3.767 8.063 1.00 0.00 C ATOM 983 CD2 LEU A 63 -6.044 -5.363 9.630 1.00 0.00 C ATOM 0 H LEU A 63 -6.196 -7.652 6.098 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.922 -7.893 8.956 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.999 -5.973 6.866 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.477 -6.046 8.551 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.725 -5.273 7.538 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.387 -3.026 8.310 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.473 -3.623 7.033 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.999 -3.651 8.733 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.283 -4.614 9.850 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.865 -5.266 10.341 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.608 -6.359 9.712 1.00 0.00 H new ATOM 995 N TYR A 64 -9.507 -8.326 8.132 1.00 0.00 N ATOM 996 CA TYR A 64 -10.722 -9.093 7.883 1.00 0.00 C ATOM 997 C TYR A 64 -10.478 -10.602 7.803 1.00 0.00 C ATOM 998 O TYR A 64 -10.538 -11.301 8.815 1.00 0.00 O ATOM 999 CB TYR A 64 -11.410 -8.592 6.621 1.00 0.00 C ATOM 1000 CG TYR A 64 -11.671 -7.103 6.629 1.00 0.00 C ATOM 1001 CD1 TYR A 64 -12.424 -6.516 7.638 1.00 0.00 C ATOM 1002 CD2 TYR A 64 -11.172 -6.287 5.625 1.00 0.00 C ATOM 1003 CE1 TYR A 64 -12.670 -5.156 7.646 1.00 0.00 C ATOM 1004 CE2 TYR A 64 -11.413 -4.926 5.627 1.00 0.00 C ATOM 1005 CZ TYR A 64 -12.163 -4.365 6.638 1.00 0.00 C ATOM 1006 OH TYR A 64 -12.398 -3.005 6.652 1.00 0.00 O ATOM 0 H TYR A 64 -9.619 -7.616 8.855 1.00 0.00 H new ATOM 0 HA TYR A 64 -11.375 -8.935 8.741 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -10.793 -8.840 5.757 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -12.357 -9.118 6.499 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -12.824 -7.133 8.429 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -10.586 -6.722 4.829 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -13.257 -4.715 8.438 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -11.015 -4.304 4.839 1.00 0.00 H new ATOM 0 HH TYR A 64 -11.972 -2.591 5.873 1.00 0.00 H new ATOM 1016 N LEU A 65 -10.203 -11.087 6.603 1.00 0.00 N ATOM 1017 CA LEU A 65 -10.010 -12.509 6.371 1.00 0.00 C ATOM 1018 C LEU A 65 -8.629 -12.953 6.848 1.00 0.00 C ATOM 1019 O LEU A 65 -7.650 -12.798 6.089 1.00 0.00 O ATOM 1020 CB LEU A 65 -10.189 -12.828 4.884 1.00 0.00 C ATOM 1021 CG LEU A 65 -10.076 -14.311 4.516 1.00 0.00 C ATOM 1022 CD1 LEU A 65 -11.184 -15.118 5.177 1.00 0.00 C ATOM 1023 CD2 LEU A 65 -10.110 -14.487 3.007 1.00 0.00 C ATOM 1024 OXT LEU A 65 -8.528 -13.470 7.981 1.00 0.00 O ATOM 0 H LEU A 65 -10.108 -10.510 5.767 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.759 -13.057 6.942 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.166 -12.465 4.566 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.442 -12.272 4.317 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.121 -14.684 4.885 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.084 -16.168 4.901 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -11.110 -15.018 6.260 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -12.153 -14.747 4.844 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.029 -15.546 2.762 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.049 -14.095 2.616 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.277 -13.946 2.559 1.00 0.00 H new TER 1036 LEU A 65