USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 649 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 79 LYS NZ :NH3+ -151:sc= 2.27 (180deg=0.556) USER MOD Set 1.2: A 92 TYR OH : rot -15:sc= 1.03 USER MOD Set 2.1: A 41 THR OG1 : rot -110:sc= -1.29 USER MOD Set 2.2: A 75 CYS SG : rot -73:sc= 0.276 USER MOD Set 3.1: A 63 HIS : no HE2:sc= 0.752 K(o=0.52,f=-6.3!) USER MOD Set 3.2: A 67 ASN : amide:sc= -0.236 K(o=0.52,f=-0.087) USER MOD Set 4.1: A 27 THR OG1 : rot -64:sc= -0.221 USER MOD Set 4.2: A 40 HIS : no HD1:sc= 1.08 K(o=0.86,f=-4.6!) USER MOD Set 5.1: A 37 ASN : amide:sc= -0.177 K(o=0.071,f=-1.7) USER MOD Set 5.2: A 74 SER OG : rot -160:sc= 0.248 USER MOD Single : A 7 LYS NZ :NH3+ 149:sc= 1.27 (180deg=1.07) USER MOD Single : A 8 GLN :FLIP amide:sc=-0.00487 F(o=-0.92,f=-0.0049) USER MOD Single : A 11 ASN : amide:sc= 1.14 K(o=1.1,f=-0.056) USER MOD Single : A 12 LYS NZ :NH3+ 168:sc= 2.38 (180deg=2.14) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.0318 X(o=-0.032,f=-0.032) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot -40:sc= 0.0045 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= -1.26 K(o=-1.3,f=-4.4!) USER MOD Single : A 44 SER OG : rot 180:sc= 0.171 USER MOD Single : A 54 LYS NZ :NH3+ 154:sc= 1.24 (180deg=0.189) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -176:sc= 1.24 (180deg=1.18) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ -155:sc= 1.27 (180deg=1.16) USER MOD Single : A 76 SER OG : rot 180:sc= 0.0977 USER MOD Single : A 80 HIS : no HE2:sc= 0.95 K(o=0.95,f=-3!) USER MOD Single : A 81 MET CE :methyl -179:sc= -0.941 (180deg=-0.952) USER MOD Single : A 84 LYS NZ :NH3+ -159:sc= -0.348 (180deg=-0.9) USER MOD Single : A 87 SER OG : rot 180:sc= 0.122 USER MOD Single : A 88 TYR OH : rot 180:sc= -0.0113 USER MOD Single : A 89 GLN : amide:sc= -0.497 X(o=-0.5,f=0) USER MOD ----------------------------------------------------------------- ATOM 64 N GLU A 5 14.624 3.717 5.798 1.00 1.13 N ATOM 65 CA GLU A 5 13.502 4.530 6.227 1.00 1.19 C ATOM 66 C GLU A 5 12.462 4.632 5.119 1.00 1.05 C ATOM 67 O GLU A 5 12.663 4.129 4.012 1.00 1.01 O ATOM 68 CB GLU A 5 13.973 5.931 6.621 1.00 1.48 C ATOM 69 CG GLU A 5 14.835 5.965 7.873 1.00 1.61 C ATOM 70 CD GLU A 5 15.150 7.377 8.320 1.00 2.22 C ATOM 71 OE1 GLU A 5 16.109 7.974 7.791 1.00 2.91 O ATOM 72 OE2 GLU A 5 14.447 7.895 9.213 1.00 2.57 O ATOM 0 HA GLU A 5 13.050 4.051 7.095 1.00 1.19 H new ATOM 0 HB2 GLU A 5 14.537 6.360 5.793 1.00 1.48 H new ATOM 0 HB3 GLU A 5 13.101 6.566 6.776 1.00 1.48 H new ATOM 0 HG2 GLU A 5 14.323 5.438 8.678 1.00 1.61 H new ATOM 0 HG3 GLU A 5 15.766 5.431 7.684 1.00 1.61 H new ATOM 79 N ILE A 6 11.353 5.282 5.423 1.00 1.00 N ATOM 80 CA ILE A 6 10.291 5.458 4.455 1.00 0.88 C ATOM 81 C ILE A 6 10.635 6.605 3.514 1.00 0.86 C ATOM 82 O ILE A 6 10.473 7.776 3.862 1.00 0.90 O ATOM 83 CB ILE A 6 8.945 5.744 5.147 1.00 0.86 C ATOM 84 CG1 ILE A 6 8.653 4.679 6.206 1.00 0.94 C ATOM 85 CG2 ILE A 6 7.827 5.794 4.123 1.00 0.79 C ATOM 86 CD1 ILE A 6 7.712 5.149 7.290 1.00 0.92 C ATOM 0 H ILE A 6 11.166 5.697 6.336 1.00 1.00 H new ATOM 0 HA ILE A 6 10.194 4.532 3.888 1.00 0.88 H new ATOM 0 HB ILE A 6 9.007 6.714 5.641 1.00 0.86 H new ATOM 0 HG12 ILE A 6 8.225 3.802 5.720 1.00 0.94 H new ATOM 0 HG13 ILE A 6 9.592 4.365 6.662 1.00 0.94 H new ATOM 0 HG21 ILE A 6 6.882 5.997 4.626 1.00 0.79 H new ATOM 0 HG22 ILE A 6 8.030 6.584 3.400 1.00 0.79 H new ATOM 0 HG23 ILE A 6 7.764 4.837 3.606 1.00 0.79 H new ATOM 0 HD11 ILE A 6 7.550 4.343 8.006 1.00 0.92 H new ATOM 0 HD12 ILE A 6 8.147 6.007 7.802 1.00 0.92 H new ATOM 0 HD13 ILE A 6 6.759 5.436 6.845 1.00 0.92 H new ATOM 98 N LYS A 7 11.142 6.264 2.341 1.00 0.86 N ATOM 99 CA LYS A 7 11.512 7.264 1.356 1.00 0.89 C ATOM 100 C LYS A 7 10.314 7.605 0.483 1.00 0.79 C ATOM 101 O LYS A 7 9.809 6.761 -0.260 1.00 0.74 O ATOM 102 CB LYS A 7 12.687 6.763 0.515 1.00 0.99 C ATOM 103 CG LYS A 7 13.943 6.533 1.341 1.00 1.10 C ATOM 104 CD LYS A 7 15.031 5.831 0.549 1.00 1.61 C ATOM 105 CE LYS A 7 15.533 6.687 -0.603 1.00 1.77 C ATOM 106 NZ LYS A 7 16.849 6.220 -1.107 1.00 2.23 N ATOM 0 H LYS A 7 11.307 5.301 2.048 1.00 0.86 H new ATOM 0 HA LYS A 7 11.827 8.174 1.867 1.00 0.89 H new ATOM 0 HB2 LYS A 7 12.405 5.832 0.022 1.00 0.99 H new ATOM 0 HB3 LYS A 7 12.901 7.487 -0.271 1.00 0.99 H new ATOM 0 HG2 LYS A 7 14.319 7.491 1.701 1.00 1.10 H new ATOM 0 HG3 LYS A 7 13.694 5.937 2.219 1.00 1.10 H new ATOM 0 HD2 LYS A 7 15.863 5.588 1.210 1.00 1.61 H new ATOM 0 HD3 LYS A 7 14.647 4.888 0.160 1.00 1.61 H new ATOM 0 HE2 LYS A 7 14.805 6.667 -1.414 1.00 1.77 H new ATOM 0 HE3 LYS A 7 15.617 7.723 -0.276 1.00 1.77 H new ATOM 0 HZ1 LYS A 7 16.923 6.422 -2.124 1.00 2.23 H new ATOM 0 HZ2 LYS A 7 17.610 6.714 -0.600 1.00 2.23 H new ATOM 0 HZ3 LYS A 7 16.937 5.196 -0.951 1.00 2.23 H new ATOM 120 N GLN A 8 9.856 8.840 0.594 1.00 0.81 N ATOM 121 CA GLN A 8 8.704 9.301 -0.161 1.00 0.78 C ATOM 122 C GLN A 8 9.057 9.559 -1.622 1.00 0.90 C ATOM 123 O GLN A 8 10.149 10.035 -1.943 1.00 1.15 O ATOM 124 CB GLN A 8 8.128 10.569 0.477 1.00 0.93 C ATOM 125 CG GLN A 8 9.052 11.774 0.383 1.00 1.29 C ATOM 126 CD GLN A 8 8.564 12.966 1.185 1.00 1.76 C ATOM 127 OE1 GLN A 8 7.990 12.713 2.353 1.00 2.52 O flip ATOM 128 NE2 GLN A 8 8.722 14.113 0.764 1.00 1.94 N flip ATOM 0 H GLN A 8 10.268 9.546 1.204 1.00 0.81 H new ATOM 0 HA GLN A 8 7.952 8.513 -0.136 1.00 0.78 H new ATOM 0 HB2 GLN A 8 7.181 10.810 -0.006 1.00 0.93 H new ATOM 0 HB3 GLN A 8 7.910 10.370 1.526 1.00 0.93 H new ATOM 0 HG2 GLN A 8 10.045 11.491 0.733 1.00 1.29 H new ATOM 0 HG3 GLN A 8 9.154 12.065 -0.663 1.00 1.29 H new ATOM 0 HE21 GLN A 8 9.168 14.267 -0.140 1.00 1.94 H new ATOM 0 HE22 GLN A 8 8.407 14.908 1.320 1.00 1.94 H new ATOM 137 N GLY A 9 8.128 9.229 -2.499 1.00 0.87 N ATOM 138 CA GLY A 9 8.317 9.440 -3.917 1.00 1.04 C ATOM 139 C GLY A 9 7.110 10.122 -4.515 1.00 0.71 C ATOM 140 O GLY A 9 6.254 10.605 -3.775 1.00 0.83 O ATOM 0 H GLY A 9 7.231 8.812 -2.250 1.00 0.87 H new ATOM 0 HA2 GLY A 9 9.206 10.048 -4.085 1.00 1.04 H new ATOM 0 HA3 GLY A 9 8.486 8.484 -4.414 1.00 1.04 H new ATOM 144 N GLU A 10 7.028 10.165 -5.839 1.00 1.04 N ATOM 145 CA GLU A 10 5.894 10.795 -6.510 1.00 0.82 C ATOM 146 C GLU A 10 4.601 10.034 -6.205 1.00 0.70 C ATOM 147 O GLU A 10 4.292 9.031 -6.854 1.00 0.72 O ATOM 148 CB GLU A 10 6.131 10.856 -8.024 1.00 0.79 C ATOM 149 CG GLU A 10 6.672 9.562 -8.617 1.00 1.82 C ATOM 150 CD GLU A 10 6.499 9.490 -10.119 1.00 2.48 C ATOM 151 OE1 GLU A 10 7.393 9.980 -10.851 1.00 3.19 O ATOM 152 OE2 GLU A 10 5.470 8.952 -10.578 1.00 2.65 O ATOM 0 H GLU A 10 7.729 9.774 -6.468 1.00 1.04 H new ATOM 0 HA GLU A 10 5.795 11.813 -6.134 1.00 0.82 H new ATOM 0 HB2 GLU A 10 5.193 11.106 -8.519 1.00 0.79 H new ATOM 0 HB3 GLU A 10 6.831 11.663 -8.240 1.00 0.79 H new ATOM 0 HG2 GLU A 10 7.730 9.470 -8.373 1.00 1.82 H new ATOM 0 HG3 GLU A 10 6.163 8.715 -8.156 1.00 1.82 H new ATOM 159 N ASN A 11 3.867 10.509 -5.195 1.00 0.63 N ATOM 160 CA ASN A 11 2.609 9.883 -4.777 1.00 0.59 C ATOM 161 C ASN A 11 2.846 8.430 -4.375 1.00 0.47 C ATOM 162 O ASN A 11 2.032 7.547 -4.665 1.00 0.44 O ATOM 163 CB ASN A 11 1.570 9.958 -5.903 1.00 0.71 C ATOM 164 CG ASN A 11 0.390 10.845 -5.556 1.00 0.73 C ATOM 165 OD1 ASN A 11 0.436 12.064 -5.741 1.00 1.10 O ATOM 166 ND2 ASN A 11 -0.680 10.243 -5.058 1.00 1.38 N ATOM 0 H ASN A 11 4.125 11.331 -4.648 1.00 0.63 H new ATOM 0 HA ASN A 11 2.225 10.427 -3.914 1.00 0.59 H new ATOM 0 HB2 ASN A 11 2.048 10.334 -6.808 1.00 0.71 H new ATOM 0 HB3 ASN A 11 1.210 8.954 -6.127 1.00 0.71 H new ATOM 0 HD21 ASN A 11 -1.505 10.790 -4.813 1.00 1.38 H new ATOM 0 HD22 ASN A 11 -0.679 9.232 -4.920 1.00 1.38 H new ATOM 173 N LYS A 12 3.960 8.184 -3.690 1.00 0.45 N ATOM 174 CA LYS A 12 4.303 6.833 -3.272 1.00 0.43 C ATOM 175 C LYS A 12 5.370 6.823 -2.184 1.00 0.46 C ATOM 176 O LYS A 12 5.889 7.867 -1.790 1.00 0.55 O ATOM 177 CB LYS A 12 4.814 6.037 -4.474 1.00 0.50 C ATOM 178 CG LYS A 12 6.111 6.571 -5.058 1.00 0.65 C ATOM 179 CD LYS A 12 6.682 5.633 -6.107 1.00 0.59 C ATOM 180 CE LYS A 12 7.970 6.187 -6.695 1.00 0.73 C ATOM 181 NZ LYS A 12 8.542 5.299 -7.742 1.00 0.94 N ATOM 0 H LYS A 12 4.634 8.898 -3.416 1.00 0.45 H new ATOM 0 HA LYS A 12 3.399 6.379 -2.866 1.00 0.43 H new ATOM 0 HB2 LYS A 12 4.962 4.999 -4.174 1.00 0.50 H new ATOM 0 HB3 LYS A 12 4.049 6.039 -5.251 1.00 0.50 H new ATOM 0 HG2 LYS A 12 5.934 7.550 -5.503 1.00 0.65 H new ATOM 0 HG3 LYS A 12 6.840 6.711 -4.259 1.00 0.65 H new ATOM 0 HD2 LYS A 12 6.873 4.657 -5.661 1.00 0.59 H new ATOM 0 HD3 LYS A 12 5.951 5.483 -6.902 1.00 0.59 H new ATOM 0 HE2 LYS A 12 7.778 7.171 -7.122 1.00 0.73 H new ATOM 0 HE3 LYS A 12 8.701 6.323 -5.898 1.00 0.73 H new ATOM 0 HZ1 LYS A 12 9.295 5.804 -8.252 1.00 0.94 H new ATOM 0 HZ2 LYS A 12 8.937 4.447 -7.296 1.00 0.94 H new ATOM 0 HZ3 LYS A 12 7.794 5.025 -8.411 1.00 0.94 H new ATOM 195 N PHE A 13 5.683 5.623 -1.716 1.00 0.46 N ATOM 196 CA PHE A 13 6.705 5.404 -0.705 1.00 0.50 C ATOM 197 C PHE A 13 7.508 4.175 -1.111 1.00 0.50 C ATOM 198 O PHE A 13 6.933 3.183 -1.561 1.00 0.46 O ATOM 199 CB PHE A 13 6.088 5.173 0.680 1.00 0.51 C ATOM 200 CG PHE A 13 5.346 6.349 1.252 1.00 0.53 C ATOM 201 CD1 PHE A 13 6.007 7.523 1.579 1.00 0.63 C ATOM 202 CD2 PHE A 13 3.983 6.270 1.480 1.00 0.54 C ATOM 203 CE1 PHE A 13 5.319 8.595 2.116 1.00 0.69 C ATOM 204 CE2 PHE A 13 3.292 7.335 2.019 1.00 0.59 C ATOM 205 CZ PHE A 13 3.960 8.500 2.337 1.00 0.65 C ATOM 0 H PHE A 13 5.229 4.766 -2.032 1.00 0.46 H new ATOM 0 HA PHE A 13 7.339 6.289 -0.641 1.00 0.50 H new ATOM 0 HB2 PHE A 13 5.404 4.326 0.619 1.00 0.51 H new ATOM 0 HB3 PHE A 13 6.882 4.893 1.372 1.00 0.51 H new ATOM 0 HD1 PHE A 13 7.071 7.601 1.412 1.00 0.63 H new ATOM 0 HD2 PHE A 13 3.453 5.362 1.232 1.00 0.54 H new ATOM 0 HE1 PHE A 13 5.844 9.506 2.362 1.00 0.69 H new ATOM 0 HE2 PHE A 13 2.229 7.257 2.192 1.00 0.59 H new ATOM 0 HZ PHE A 13 3.420 9.336 2.758 1.00 0.65 H new ATOM 215 N TYR A 14 8.820 4.230 -0.983 1.00 0.60 N ATOM 216 CA TYR A 14 9.645 3.090 -1.356 1.00 0.64 C ATOM 217 C TYR A 14 10.838 2.939 -0.424 1.00 0.69 C ATOM 218 O TYR A 14 11.266 3.896 0.221 1.00 0.75 O ATOM 219 CB TYR A 14 10.116 3.212 -2.815 1.00 0.67 C ATOM 220 CG TYR A 14 10.980 4.424 -3.099 1.00 0.78 C ATOM 221 CD1 TYR A 14 10.410 5.652 -3.414 1.00 0.79 C ATOM 222 CD2 TYR A 14 12.367 4.334 -3.059 1.00 0.93 C ATOM 223 CE1 TYR A 14 11.196 6.755 -3.678 1.00 0.92 C ATOM 224 CE2 TYR A 14 13.159 5.435 -3.323 1.00 1.04 C ATOM 225 CZ TYR A 14 12.568 6.642 -3.632 1.00 1.03 C ATOM 226 OH TYR A 14 13.354 7.741 -3.895 1.00 1.16 O ATOM 0 H TYR A 14 9.334 5.037 -0.630 1.00 0.60 H new ATOM 0 HA TYR A 14 9.031 2.195 -1.262 1.00 0.64 H new ATOM 0 HB2 TYR A 14 10.674 2.314 -3.079 1.00 0.67 H new ATOM 0 HB3 TYR A 14 9.241 3.246 -3.464 1.00 0.67 H new ATOM 0 HD1 TYR A 14 9.335 5.744 -3.453 1.00 0.79 H new ATOM 0 HD2 TYR A 14 12.832 3.390 -2.818 1.00 0.93 H new ATOM 0 HE1 TYR A 14 10.738 7.703 -3.920 1.00 0.92 H new ATOM 0 HE2 TYR A 14 14.235 5.351 -3.288 1.00 1.04 H new ATOM 0 HH TYR A 14 14.299 7.493 -3.820 1.00 1.16 H new ATOM 236 N ILE A 15 11.353 1.722 -0.347 1.00 0.71 N ATOM 237 CA ILE A 15 12.504 1.422 0.487 1.00 0.78 C ATOM 238 C ILE A 15 13.634 0.868 -0.374 1.00 0.92 C ATOM 239 O ILE A 15 13.488 -0.172 -1.023 1.00 0.92 O ATOM 240 CB ILE A 15 12.159 0.412 1.604 1.00 0.73 C ATOM 241 CG1 ILE A 15 11.091 0.993 2.535 1.00 0.67 C ATOM 242 CG2 ILE A 15 13.408 0.036 2.391 1.00 0.80 C ATOM 243 CD1 ILE A 15 10.693 0.067 3.665 1.00 0.71 C ATOM 0 H ILE A 15 10.987 0.919 -0.858 1.00 0.71 H new ATOM 0 HA ILE A 15 12.819 2.351 0.963 1.00 0.78 H new ATOM 0 HB ILE A 15 11.762 -0.492 1.142 1.00 0.73 H new ATOM 0 HG12 ILE A 15 11.460 1.928 2.957 1.00 0.67 H new ATOM 0 HG13 ILE A 15 10.205 1.236 1.948 1.00 0.67 H new ATOM 0 HG21 ILE A 15 13.145 -0.676 3.173 1.00 0.80 H new ATOM 0 HG22 ILE A 15 14.139 -0.416 1.720 1.00 0.80 H new ATOM 0 HG23 ILE A 15 13.836 0.930 2.844 1.00 0.80 H new ATOM 0 HD11 ILE A 15 9.933 0.549 4.280 1.00 0.71 H new ATOM 0 HD12 ILE A 15 10.292 -0.859 3.253 1.00 0.71 H new ATOM 0 HD13 ILE A 15 11.567 -0.157 4.277 1.00 0.71 H new ATOM 255 N GLY A 16 14.746 1.584 -0.394 1.00 1.09 N ATOM 256 CA GLY A 16 15.892 1.168 -1.172 1.00 1.26 C ATOM 257 C GLY A 16 16.806 2.332 -1.470 1.00 1.42 C ATOM 258 O GLY A 16 16.475 3.475 -1.154 1.00 1.52 O ATOM 0 H GLY A 16 14.876 2.455 0.121 1.00 1.09 H new ATOM 0 HA2 GLY A 16 16.443 0.400 -0.629 1.00 1.26 H new ATOM 0 HA3 GLY A 16 15.556 0.719 -2.106 1.00 1.26 H new ATOM 262 N ASP A 17 17.949 2.057 -2.079 1.00 1.55 N ATOM 263 CA ASP A 17 18.906 3.109 -2.404 1.00 1.74 C ATOM 264 C ASP A 17 18.381 3.989 -3.532 1.00 1.66 C ATOM 265 O ASP A 17 18.271 5.204 -3.386 1.00 1.78 O ATOM 266 CB ASP A 17 20.252 2.508 -2.802 1.00 1.95 C ATOM 267 CG ASP A 17 21.307 3.573 -3.021 1.00 2.20 C ATOM 268 OD1 ASP A 17 21.938 4.011 -2.033 1.00 2.62 O ATOM 269 OD2 ASP A 17 21.514 3.973 -4.187 1.00 2.14 O ATOM 0 H ASP A 17 18.238 1.119 -2.358 1.00 1.55 H new ATOM 0 HA ASP A 17 19.042 3.724 -1.514 1.00 1.74 H new ATOM 0 HB2 ASP A 17 20.586 1.821 -2.025 1.00 1.95 H new ATOM 0 HB3 ASP A 17 20.132 1.923 -3.714 1.00 1.95 H new ATOM 274 N ASP A 18 18.041 3.361 -4.645 1.00 1.53 N ATOM 275 CA ASP A 18 17.524 4.072 -5.806 1.00 1.48 C ATOM 276 C ASP A 18 16.188 3.466 -6.219 1.00 1.37 C ATOM 277 O ASP A 18 15.920 2.309 -5.908 1.00 1.29 O ATOM 278 CB ASP A 18 18.534 3.999 -6.960 1.00 1.53 C ATOM 279 CG ASP A 18 18.096 4.792 -8.175 1.00 1.47 C ATOM 280 OD1 ASP A 18 18.267 6.028 -8.176 1.00 1.60 O ATOM 281 OD2 ASP A 18 17.582 4.181 -9.136 1.00 1.41 O ATOM 0 H ASP A 18 18.114 2.351 -4.771 1.00 1.53 H new ATOM 0 HA ASP A 18 17.371 5.121 -5.553 1.00 1.48 H new ATOM 0 HB2 ASP A 18 19.499 4.372 -6.617 1.00 1.53 H new ATOM 0 HB3 ASP A 18 18.679 2.957 -7.245 1.00 1.53 H new ATOM 286 N GLU A 19 15.358 4.242 -6.912 1.00 1.41 N ATOM 287 CA GLU A 19 14.048 3.765 -7.359 1.00 1.38 C ATOM 288 C GLU A 19 14.179 2.535 -8.257 1.00 1.34 C ATOM 289 O GLU A 19 13.326 1.647 -8.230 1.00 1.34 O ATOM 290 CB GLU A 19 13.297 4.867 -8.112 1.00 1.49 C ATOM 291 CG GLU A 19 12.826 6.011 -7.227 1.00 1.76 C ATOM 292 CD GLU A 19 11.952 6.999 -7.974 1.00 2.08 C ATOM 293 OE1 GLU A 19 12.493 7.956 -8.561 1.00 2.43 O ATOM 294 OE2 GLU A 19 10.715 6.825 -7.980 1.00 2.72 O ATOM 0 H GLU A 19 15.568 5.204 -7.177 1.00 1.41 H new ATOM 0 HA GLU A 19 13.484 3.488 -6.468 1.00 1.38 H new ATOM 0 HB2 GLU A 19 13.946 5.267 -8.891 1.00 1.49 H new ATOM 0 HB3 GLU A 19 12.433 4.428 -8.611 1.00 1.49 H new ATOM 0 HG2 GLU A 19 12.271 5.607 -6.381 1.00 1.76 H new ATOM 0 HG3 GLU A 19 13.693 6.532 -6.820 1.00 1.76 H new ATOM 301 N ASN A 20 15.255 2.483 -9.036 1.00 1.37 N ATOM 302 CA ASN A 20 15.494 1.364 -9.946 1.00 1.39 C ATOM 303 C ASN A 20 15.908 0.114 -9.176 1.00 1.40 C ATOM 304 O ASN A 20 15.848 -1.002 -9.691 1.00 1.52 O ATOM 305 CB ASN A 20 16.570 1.744 -10.967 1.00 1.48 C ATOM 306 CG ASN A 20 16.853 0.644 -11.971 1.00 2.08 C ATOM 307 OD1 ASN A 20 17.807 -0.121 -11.820 1.00 2.92 O ATOM 308 ND2 ASN A 20 16.027 0.558 -13.006 1.00 2.15 N ATOM 0 H ASN A 20 15.977 3.203 -9.056 1.00 1.37 H new ATOM 0 HA ASN A 20 14.566 1.142 -10.473 1.00 1.39 H new ATOM 0 HB2 ASN A 20 16.256 2.642 -11.500 1.00 1.48 H new ATOM 0 HB3 ASN A 20 17.491 1.992 -10.440 1.00 1.48 H new ATOM 0 HD21 ASN A 20 16.170 -0.162 -13.714 1.00 2.15 H new ATOM 0 HD22 ASN A 20 15.249 1.212 -13.093 1.00 2.15 H new ATOM 315 N ASN A 21 16.307 0.309 -7.928 1.00 1.36 N ATOM 316 CA ASN A 21 16.735 -0.791 -7.077 1.00 1.38 C ATOM 317 C ASN A 21 15.937 -0.792 -5.784 1.00 1.25 C ATOM 318 O ASN A 21 16.462 -1.090 -4.709 1.00 1.23 O ATOM 319 CB ASN A 21 18.228 -0.681 -6.776 1.00 1.54 C ATOM 320 CG ASN A 21 19.060 -1.598 -7.651 1.00 1.92 C ATOM 321 OD1 ASN A 21 19.309 -2.751 -7.298 1.00 2.21 O ATOM 322 ND2 ASN A 21 19.502 -1.098 -8.796 1.00 2.45 N ATOM 0 H ASN A 21 16.343 1.225 -7.480 1.00 1.36 H new ATOM 0 HA ASN A 21 16.555 -1.729 -7.602 1.00 1.38 H new ATOM 0 HB2 ASN A 21 18.551 0.350 -6.923 1.00 1.54 H new ATOM 0 HB3 ASN A 21 18.404 -0.924 -5.728 1.00 1.54 H new ATOM 0 HD21 ASN A 21 20.069 -1.673 -9.419 1.00 2.45 H new ATOM 0 HD22 ASN A 21 19.275 -0.138 -9.055 1.00 2.45 H new ATOM 329 N ALA A 22 14.667 -0.443 -5.897 1.00 1.19 N ATOM 330 CA ALA A 22 13.785 -0.399 -4.746 1.00 1.09 C ATOM 331 C ALA A 22 13.375 -1.803 -4.328 1.00 1.06 C ATOM 332 O ALA A 22 12.677 -2.504 -5.069 1.00 1.14 O ATOM 333 CB ALA A 22 12.557 0.445 -5.046 1.00 1.04 C ATOM 0 H ALA A 22 14.223 -0.185 -6.778 1.00 1.19 H new ATOM 0 HA ALA A 22 14.327 0.060 -3.919 1.00 1.09 H new ATOM 0 HB1 ALA A 22 11.907 0.466 -4.171 1.00 1.04 H new ATOM 0 HB2 ALA A 22 12.865 1.461 -5.294 1.00 1.04 H new ATOM 0 HB3 ALA A 22 12.016 0.014 -5.889 1.00 1.04 H new ATOM 339 N LEU A 23 13.823 -2.211 -3.145 1.00 0.99 N ATOM 340 CA LEU A 23 13.494 -3.527 -2.611 1.00 0.99 C ATOM 341 C LEU A 23 11.985 -3.662 -2.476 1.00 0.87 C ATOM 342 O LEU A 23 11.408 -4.712 -2.758 1.00 0.95 O ATOM 343 CB LEU A 23 14.168 -3.736 -1.252 1.00 1.05 C ATOM 344 CG LEU A 23 15.696 -3.665 -1.268 1.00 1.25 C ATOM 345 CD1 LEU A 23 16.237 -3.387 0.125 1.00 1.39 C ATOM 346 CD2 LEU A 23 16.284 -4.958 -1.816 1.00 1.37 C ATOM 0 H LEU A 23 14.417 -1.647 -2.537 1.00 0.99 H new ATOM 0 HA LEU A 23 13.861 -4.290 -3.298 1.00 0.99 H new ATOM 0 HB2 LEU A 23 13.792 -2.984 -0.558 1.00 1.05 H new ATOM 0 HB3 LEU A 23 13.869 -4.709 -0.861 1.00 1.05 H new ATOM 0 HG LEU A 23 15.992 -2.844 -1.921 1.00 1.25 H new ATOM 0 HD11 LEU A 23 17.325 -3.341 0.090 1.00 1.39 H new ATOM 0 HD12 LEU A 23 15.845 -2.436 0.485 1.00 1.39 H new ATOM 0 HD13 LEU A 23 15.929 -4.185 0.801 1.00 1.39 H new ATOM 0 HD21 LEU A 23 17.372 -4.890 -1.820 1.00 1.37 H new ATOM 0 HD22 LEU A 23 15.975 -5.793 -1.187 1.00 1.37 H new ATOM 0 HD23 LEU A 23 15.927 -5.118 -2.833 1.00 1.37 H new ATOM 358 N ALA A 24 11.358 -2.569 -2.065 1.00 0.77 N ATOM 359 CA ALA A 24 9.919 -2.518 -1.897 1.00 0.66 C ATOM 360 C ALA A 24 9.400 -1.140 -2.276 1.00 0.60 C ATOM 361 O ALA A 24 10.018 -0.129 -1.942 1.00 0.67 O ATOM 362 CB ALA A 24 9.540 -2.856 -0.465 1.00 0.71 C ATOM 0 H ALA A 24 11.835 -1.696 -1.840 1.00 0.77 H new ATOM 0 HA ALA A 24 9.461 -3.257 -2.555 1.00 0.66 H new ATOM 0 HB1 ALA A 24 8.456 -2.813 -0.356 1.00 0.71 H new ATOM 0 HB2 ALA A 24 9.890 -3.860 -0.223 1.00 0.71 H new ATOM 0 HB3 ALA A 24 10.002 -2.138 0.213 1.00 0.71 H new ATOM 368 N GLU A 25 8.283 -1.106 -2.986 1.00 0.54 N ATOM 369 CA GLU A 25 7.680 0.151 -3.402 1.00 0.52 C ATOM 370 C GLU A 25 6.158 0.064 -3.367 1.00 0.43 C ATOM 371 O GLU A 25 5.566 -0.876 -3.900 1.00 0.45 O ATOM 372 CB GLU A 25 8.141 0.531 -4.812 1.00 0.65 C ATOM 373 CG GLU A 25 7.447 1.769 -5.356 1.00 0.84 C ATOM 374 CD GLU A 25 7.850 2.103 -6.775 1.00 0.87 C ATOM 375 OE1 GLU A 25 8.882 2.781 -6.959 1.00 1.33 O ATOM 376 OE2 GLU A 25 7.152 1.673 -7.716 1.00 1.02 O ATOM 0 H GLU A 25 7.774 -1.937 -3.287 1.00 0.54 H new ATOM 0 HA GLU A 25 8.003 0.921 -2.702 1.00 0.52 H new ATOM 0 HB2 GLU A 25 9.218 0.701 -4.802 1.00 0.65 H new ATOM 0 HB3 GLU A 25 7.957 -0.306 -5.485 1.00 0.65 H new ATOM 0 HG2 GLU A 25 6.368 1.619 -5.317 1.00 0.84 H new ATOM 0 HG3 GLU A 25 7.674 2.618 -4.711 1.00 0.84 H new ATOM 383 N ILE A 26 5.534 1.044 -2.731 1.00 0.40 N ATOM 384 CA ILE A 26 4.087 1.106 -2.642 1.00 0.33 C ATOM 385 C ILE A 26 3.606 2.429 -3.231 1.00 0.33 C ATOM 386 O ILE A 26 4.239 3.465 -3.041 1.00 0.38 O ATOM 387 CB ILE A 26 3.584 0.944 -1.184 1.00 0.34 C ATOM 388 CG1 ILE A 26 2.056 0.843 -1.153 1.00 0.30 C ATOM 389 CG2 ILE A 26 4.059 2.097 -0.308 1.00 0.41 C ATOM 390 CD1 ILE A 26 1.508 0.325 0.159 1.00 0.34 C ATOM 0 H ILE A 26 6.015 1.813 -2.265 1.00 0.40 H new ATOM 0 HA ILE A 26 3.674 0.274 -3.212 1.00 0.33 H new ATOM 0 HB ILE A 26 4.004 0.021 -0.783 1.00 0.34 H new ATOM 0 HG12 ILE A 26 1.631 1.827 -1.351 1.00 0.30 H new ATOM 0 HG13 ILE A 26 1.728 0.186 -1.959 1.00 0.30 H new ATOM 0 HG21 ILE A 26 3.691 1.957 0.709 1.00 0.41 H new ATOM 0 HG22 ILE A 26 5.149 2.123 -0.300 1.00 0.41 H new ATOM 0 HG23 ILE A 26 3.677 3.037 -0.706 1.00 0.41 H new ATOM 0 HD11 ILE A 26 0.420 0.281 0.107 1.00 0.34 H new ATOM 0 HD12 ILE A 26 1.903 -0.673 0.350 1.00 0.34 H new ATOM 0 HD13 ILE A 26 1.805 0.994 0.967 1.00 0.34 H new ATOM 402 N THR A 27 2.507 2.390 -3.962 1.00 0.33 N ATOM 403 CA THR A 27 1.968 3.591 -4.588 1.00 0.35 C ATOM 404 C THR A 27 0.535 3.840 -4.145 1.00 0.37 C ATOM 405 O THR A 27 -0.207 2.897 -3.890 1.00 0.41 O ATOM 406 CB THR A 27 1.987 3.457 -6.120 1.00 0.40 C ATOM 407 OG1 THR A 27 2.142 2.080 -6.469 1.00 0.60 O ATOM 408 CG2 THR A 27 3.107 4.269 -6.746 1.00 0.51 C ATOM 0 H THR A 27 1.968 1.542 -4.139 1.00 0.33 H new ATOM 0 HA THR A 27 2.595 4.427 -4.280 1.00 0.35 H new ATOM 0 HB THR A 27 1.043 3.844 -6.504 1.00 0.40 H new ATOM 0 HG1 THR A 27 3.013 1.759 -6.155 1.00 0.60 H new ATOM 0 HG21 THR A 27 3.084 4.146 -7.829 1.00 0.51 H new ATOM 0 HG22 THR A 27 2.976 5.322 -6.498 1.00 0.51 H new ATOM 0 HG23 THR A 27 4.066 3.923 -6.362 1.00 0.51 H new ATOM 416 N TYR A 28 0.148 5.100 -4.067 1.00 0.39 N ATOM 417 CA TYR A 28 -1.207 5.448 -3.676 1.00 0.45 C ATOM 418 C TYR A 28 -1.702 6.615 -4.516 1.00 0.48 C ATOM 419 O TYR A 28 -0.949 7.542 -4.808 1.00 0.68 O ATOM 420 CB TYR A 28 -1.293 5.778 -2.178 1.00 0.48 C ATOM 421 CG TYR A 28 -0.388 6.908 -1.728 1.00 0.49 C ATOM 422 CD1 TYR A 28 0.931 6.665 -1.369 1.00 0.51 C ATOM 423 CD2 TYR A 28 -0.858 8.215 -1.652 1.00 0.59 C ATOM 424 CE1 TYR A 28 1.757 7.689 -0.952 1.00 0.60 C ATOM 425 CE2 TYR A 28 -0.036 9.245 -1.236 1.00 0.66 C ATOM 426 CZ TYR A 28 1.269 8.976 -0.887 1.00 0.65 C ATOM 427 OH TYR A 28 2.087 9.998 -0.462 1.00 0.76 O ATOM 0 H TYR A 28 0.750 5.898 -4.268 1.00 0.39 H new ATOM 0 HA TYR A 28 -1.848 4.585 -3.854 1.00 0.45 H new ATOM 0 HB2 TYR A 28 -2.324 6.037 -1.935 1.00 0.48 H new ATOM 0 HB3 TYR A 28 -1.046 4.883 -1.607 1.00 0.48 H new ATOM 0 HD1 TYR A 28 1.317 5.658 -1.417 1.00 0.51 H new ATOM 0 HD2 TYR A 28 -1.882 8.428 -1.922 1.00 0.59 H new ATOM 0 HE1 TYR A 28 2.781 7.483 -0.678 1.00 0.60 H new ATOM 0 HE2 TYR A 28 -0.415 10.255 -1.185 1.00 0.66 H new ATOM 0 HH TYR A 28 2.643 9.684 0.282 1.00 0.76 H new ATOM 437 N ARG A 29 -2.955 6.556 -4.926 1.00 0.42 N ATOM 438 CA ARG A 29 -3.540 7.612 -5.734 1.00 0.48 C ATOM 439 C ARG A 29 -4.891 8.016 -5.175 1.00 0.48 C ATOM 440 O ARG A 29 -5.524 7.252 -4.452 1.00 0.49 O ATOM 441 CB ARG A 29 -3.698 7.149 -7.181 1.00 0.56 C ATOM 442 CG ARG A 29 -3.135 8.125 -8.201 1.00 0.93 C ATOM 443 CD ARG A 29 -1.615 8.075 -8.246 1.00 1.22 C ATOM 444 NE ARG A 29 -1.127 6.861 -8.902 1.00 1.83 N ATOM 445 CZ ARG A 29 0.062 6.762 -9.494 1.00 2.81 C ATOM 446 NH1 ARG A 29 0.891 7.799 -9.507 1.00 3.23 N ATOM 447 NH2 ARG A 29 0.423 5.630 -10.085 1.00 3.63 N ATOM 0 H ARG A 29 -3.590 5.786 -4.713 1.00 0.42 H new ATOM 0 HA ARG A 29 -2.873 8.474 -5.709 1.00 0.48 H new ATOM 0 HB2 ARG A 29 -3.202 6.186 -7.301 1.00 0.56 H new ATOM 0 HB3 ARG A 29 -4.756 6.991 -7.389 1.00 0.56 H new ATOM 0 HG2 ARG A 29 -3.536 7.893 -9.187 1.00 0.93 H new ATOM 0 HG3 ARG A 29 -3.459 9.136 -7.955 1.00 0.93 H new ATOM 0 HD2 ARG A 29 -1.239 8.950 -8.776 1.00 1.22 H new ATOM 0 HD3 ARG A 29 -1.220 8.123 -7.231 1.00 1.22 H new ATOM 0 HE ARG A 29 -1.734 6.041 -8.906 1.00 1.83 H new ATOM 0 HH11 ARG A 29 0.618 8.676 -9.063 1.00 3.23 H new ATOM 0 HH12 ARG A 29 1.801 7.719 -9.961 1.00 3.23 H new ATOM 0 HH21 ARG A 29 -0.211 4.831 -10.087 1.00 3.63 H new ATOM 0 HH22 ARG A 29 1.335 5.559 -10.537 1.00 3.63 H new ATOM 461 N PHE A 30 -5.329 9.212 -5.510 1.00 0.56 N ATOM 462 CA PHE A 30 -6.611 9.708 -5.038 1.00 0.60 C ATOM 463 C PHE A 30 -7.705 9.394 -6.051 1.00 0.68 C ATOM 464 O PHE A 30 -7.740 9.969 -7.140 1.00 0.83 O ATOM 465 CB PHE A 30 -6.543 11.217 -4.781 1.00 0.66 C ATOM 466 CG PHE A 30 -5.838 11.583 -3.502 1.00 0.66 C ATOM 467 CD1 PHE A 30 -4.455 11.548 -3.416 1.00 0.70 C ATOM 468 CD2 PHE A 30 -6.562 11.971 -2.388 1.00 0.72 C ATOM 469 CE1 PHE A 30 -3.809 11.890 -2.243 1.00 0.77 C ATOM 470 CE2 PHE A 30 -5.922 12.316 -1.211 1.00 0.80 C ATOM 471 CZ PHE A 30 -4.544 12.278 -1.139 1.00 0.82 C ATOM 0 H PHE A 30 -4.818 9.861 -6.108 1.00 0.56 H new ATOM 0 HA PHE A 30 -6.849 9.208 -4.099 1.00 0.60 H new ATOM 0 HB2 PHE A 30 -6.033 11.696 -5.617 1.00 0.66 H new ATOM 0 HB3 PHE A 30 -7.556 11.618 -4.754 1.00 0.66 H new ATOM 0 HD1 PHE A 30 -3.875 11.250 -4.277 1.00 0.70 H new ATOM 0 HD2 PHE A 30 -7.640 12.005 -2.438 1.00 0.72 H new ATOM 0 HE1 PHE A 30 -2.731 11.854 -2.189 1.00 0.77 H new ATOM 0 HE2 PHE A 30 -6.500 12.615 -0.349 1.00 0.80 H new ATOM 0 HZ PHE A 30 -4.042 12.551 -0.223 1.00 0.82 H new ATOM 481 N VAL A 31 -8.587 8.465 -5.698 1.00 0.62 N ATOM 482 CA VAL A 31 -9.682 8.087 -6.584 1.00 0.70 C ATOM 483 C VAL A 31 -10.758 9.159 -6.585 1.00 0.73 C ATOM 484 O VAL A 31 -11.377 9.436 -7.612 1.00 0.83 O ATOM 485 CB VAL A 31 -10.312 6.731 -6.194 1.00 0.72 C ATOM 486 CG1 VAL A 31 -9.443 5.581 -6.672 1.00 0.84 C ATOM 487 CG2 VAL A 31 -10.537 6.644 -4.691 1.00 0.67 C ATOM 0 H VAL A 31 -8.566 7.963 -4.811 1.00 0.62 H new ATOM 0 HA VAL A 31 -9.257 7.985 -7.583 1.00 0.70 H new ATOM 0 HB VAL A 31 -11.283 6.657 -6.684 1.00 0.72 H new ATOM 0 HG11 VAL A 31 -9.903 4.635 -6.388 1.00 0.84 H new ATOM 0 HG12 VAL A 31 -9.345 5.626 -7.757 1.00 0.84 H new ATOM 0 HG13 VAL A 31 -8.456 5.656 -6.215 1.00 0.84 H new ATOM 0 HG21 VAL A 31 -10.981 5.680 -4.445 1.00 0.67 H new ATOM 0 HG22 VAL A 31 -9.583 6.747 -4.174 1.00 0.67 H new ATOM 0 HG23 VAL A 31 -11.208 7.443 -4.377 1.00 0.67 H new ATOM 497 N ASP A 32 -10.968 9.768 -5.427 1.00 0.72 N ATOM 498 CA ASP A 32 -11.967 10.817 -5.287 1.00 0.84 C ATOM 499 C ASP A 32 -11.353 12.043 -4.622 1.00 0.97 C ATOM 500 O ASP A 32 -10.990 13.005 -5.297 1.00 1.74 O ATOM 501 CB ASP A 32 -13.167 10.309 -4.482 1.00 0.84 C ATOM 502 CG ASP A 32 -14.358 11.243 -4.558 1.00 0.97 C ATOM 503 OD1 ASP A 32 -14.407 12.221 -3.780 1.00 1.16 O ATOM 504 OD2 ASP A 32 -15.252 11.003 -5.396 1.00 1.16 O ATOM 0 H ASP A 32 -10.459 9.553 -4.570 1.00 0.72 H new ATOM 0 HA ASP A 32 -12.318 11.101 -6.279 1.00 0.84 H new ATOM 0 HB2 ASP A 32 -13.457 9.325 -4.851 1.00 0.84 H new ATOM 0 HB3 ASP A 32 -12.874 10.184 -3.440 1.00 0.84 H new ATOM 509 N ASN A 33 -11.228 12.001 -3.299 1.00 0.89 N ATOM 510 CA ASN A 33 -10.638 13.108 -2.549 1.00 0.95 C ATOM 511 C ASN A 33 -10.211 12.642 -1.163 1.00 0.84 C ATOM 512 O ASN A 33 -9.078 12.858 -0.743 1.00 1.07 O ATOM 513 CB ASN A 33 -11.629 14.273 -2.430 1.00 1.09 C ATOM 514 CG ASN A 33 -11.025 15.483 -1.735 1.00 1.82 C ATOM 515 OD1 ASN A 33 -11.223 15.693 -0.536 1.00 2.09 O ATOM 516 ND2 ASN A 33 -10.286 16.288 -2.483 1.00 2.72 N ATOM 0 H ASN A 33 -11.527 11.214 -2.723 1.00 0.89 H new ATOM 0 HA ASN A 33 -9.759 13.455 -3.091 1.00 0.95 H new ATOM 0 HB2 ASN A 33 -11.967 14.561 -3.425 1.00 1.09 H new ATOM 0 HB3 ASN A 33 -12.509 13.942 -1.878 1.00 1.09 H new ATOM 0 HD21 ASN A 33 -9.857 17.116 -2.071 1.00 2.72 H new ATOM 0 HD22 ASN A 33 -10.146 16.080 -3.472 1.00 2.72 H new ATOM 523 N ASN A 34 -11.127 11.991 -0.465 1.00 0.73 N ATOM 524 CA ASN A 34 -10.861 11.484 0.878 1.00 0.86 C ATOM 525 C ASN A 34 -10.588 9.985 0.827 1.00 0.88 C ATOM 526 O ASN A 34 -10.580 9.298 1.848 1.00 1.22 O ATOM 527 CB ASN A 34 -12.056 11.776 1.794 1.00 1.01 C ATOM 528 CG ASN A 34 -11.688 11.756 3.265 1.00 1.35 C ATOM 529 OD1 ASN A 34 -10.552 12.046 3.640 1.00 1.84 O ATOM 530 ND2 ASN A 34 -12.652 11.433 4.108 1.00 1.83 N ATOM 0 H ASN A 34 -12.069 11.799 -0.806 1.00 0.73 H new ATOM 0 HA ASN A 34 -9.980 11.986 1.279 1.00 0.86 H new ATOM 0 HB2 ASN A 34 -12.472 12.751 1.541 1.00 1.01 H new ATOM 0 HB3 ASN A 34 -12.838 11.039 1.610 1.00 1.01 H new ATOM 0 HD21 ASN A 34 -12.468 11.418 5.111 1.00 1.83 H new ATOM 0 HD22 ASN A 34 -13.580 11.199 3.756 1.00 1.83 H new ATOM 537 N GLU A 35 -10.356 9.480 -0.376 1.00 0.64 N ATOM 538 CA GLU A 35 -10.094 8.061 -0.569 1.00 0.62 C ATOM 539 C GLU A 35 -8.842 7.862 -1.413 1.00 0.57 C ATOM 540 O GLU A 35 -8.698 8.482 -2.473 1.00 0.59 O ATOM 541 CB GLU A 35 -11.285 7.376 -1.251 1.00 0.68 C ATOM 542 CG GLU A 35 -12.613 8.095 -1.062 1.00 1.01 C ATOM 543 CD GLU A 35 -13.783 7.319 -1.623 1.00 1.41 C ATOM 544 OE1 GLU A 35 -13.671 6.794 -2.747 1.00 1.47 O ATOM 545 OE2 GLU A 35 -14.828 7.230 -0.941 1.00 2.25 O ATOM 0 H GLU A 35 -10.344 10.032 -1.234 1.00 0.64 H new ATOM 0 HA GLU A 35 -9.942 7.611 0.412 1.00 0.62 H new ATOM 0 HB2 GLU A 35 -11.079 7.293 -2.318 1.00 0.68 H new ATOM 0 HB3 GLU A 35 -11.376 6.361 -0.864 1.00 0.68 H new ATOM 0 HG2 GLU A 35 -12.777 8.273 0.001 1.00 1.01 H new ATOM 0 HG3 GLU A 35 -12.565 9.071 -1.545 1.00 1.01 H new ATOM 552 N ILE A 36 -7.945 7.005 -0.945 1.00 0.52 N ATOM 553 CA ILE A 36 -6.709 6.719 -1.662 1.00 0.48 C ATOM 554 C ILE A 36 -6.602 5.234 -1.979 1.00 0.46 C ATOM 555 O ILE A 36 -6.795 4.381 -1.107 1.00 0.53 O ATOM 556 CB ILE A 36 -5.454 7.163 -0.877 1.00 0.47 C ATOM 557 CG1 ILE A 36 -5.583 6.810 0.606 1.00 0.48 C ATOM 558 CG2 ILE A 36 -5.221 8.654 -1.049 1.00 0.51 C ATOM 559 CD1 ILE A 36 -4.290 6.961 1.379 1.00 0.51 C ATOM 0 H ILE A 36 -8.050 6.494 -0.069 1.00 0.52 H new ATOM 0 HA ILE A 36 -6.749 7.294 -2.587 1.00 0.48 H new ATOM 0 HB ILE A 36 -4.595 6.627 -1.280 1.00 0.47 H new ATOM 0 HG12 ILE A 36 -6.343 7.447 1.058 1.00 0.48 H new ATOM 0 HG13 ILE A 36 -5.933 5.782 0.697 1.00 0.48 H new ATOM 0 HG21 ILE A 36 -4.334 8.950 -0.490 1.00 0.51 H new ATOM 0 HG22 ILE A 36 -5.077 8.880 -2.105 1.00 0.51 H new ATOM 0 HG23 ILE A 36 -6.085 9.203 -0.675 1.00 0.51 H new ATOM 0 HD11 ILE A 36 -4.457 6.694 2.423 1.00 0.51 H new ATOM 0 HD12 ILE A 36 -3.532 6.303 0.953 1.00 0.51 H new ATOM 0 HD13 ILE A 36 -3.949 7.994 1.319 1.00 0.51 H new ATOM 571 N ASN A 37 -6.304 4.931 -3.232 1.00 0.44 N ATOM 572 CA ASN A 37 -6.175 3.554 -3.674 1.00 0.46 C ATOM 573 C ASN A 37 -4.715 3.205 -3.909 1.00 0.42 C ATOM 574 O ASN A 37 -3.939 4.019 -4.413 1.00 0.50 O ATOM 575 CB ASN A 37 -6.992 3.312 -4.954 1.00 0.54 C ATOM 576 CG ASN A 37 -6.282 3.762 -6.224 1.00 0.86 C ATOM 577 OD1 ASN A 37 -6.236 4.953 -6.535 1.00 1.82 O ATOM 578 ND2 ASN A 37 -5.751 2.810 -6.983 1.00 0.98 N ATOM 0 H ASN A 37 -6.146 5.624 -3.963 1.00 0.44 H new ATOM 0 HA ASN A 37 -6.567 2.908 -2.888 1.00 0.46 H new ATOM 0 HB2 ASN A 37 -7.222 2.249 -5.033 1.00 0.54 H new ATOM 0 HB3 ASN A 37 -7.943 3.839 -4.873 1.00 0.54 H new ATOM 0 HD21 ASN A 37 -5.285 3.055 -7.857 1.00 0.98 H new ATOM 0 HD22 ASN A 37 -5.809 1.834 -6.692 1.00 0.98 H new ATOM 585 N ILE A 38 -4.340 2.005 -3.508 1.00 0.36 N ATOM 586 CA ILE A 38 -2.982 1.537 -3.696 1.00 0.33 C ATOM 587 C ILE A 38 -2.807 1.046 -5.130 1.00 0.41 C ATOM 588 O ILE A 38 -3.434 0.066 -5.542 1.00 0.53 O ATOM 589 CB ILE A 38 -2.625 0.418 -2.693 1.00 0.36 C ATOM 590 CG1 ILE A 38 -2.733 0.949 -1.258 1.00 0.47 C ATOM 591 CG2 ILE A 38 -1.226 -0.121 -2.963 1.00 0.37 C ATOM 592 CD1 ILE A 38 -2.707 -0.129 -0.197 1.00 0.69 C ATOM 0 H ILE A 38 -4.959 1.336 -3.049 1.00 0.36 H new ATOM 0 HA ILE A 38 -2.302 2.368 -3.511 1.00 0.33 H new ATOM 0 HB ILE A 38 -3.331 -0.403 -2.818 1.00 0.36 H new ATOM 0 HG12 ILE A 38 -1.912 1.643 -1.076 1.00 0.47 H new ATOM 0 HG13 ILE A 38 -3.658 1.517 -1.161 1.00 0.47 H new ATOM 0 HG21 ILE A 38 -0.995 -0.908 -2.245 1.00 0.37 H new ATOM 0 HG22 ILE A 38 -1.181 -0.527 -3.974 1.00 0.37 H new ATOM 0 HG23 ILE A 38 -0.500 0.686 -2.863 1.00 0.37 H new ATOM 0 HD11 ILE A 38 -2.788 0.329 0.789 1.00 0.69 H new ATOM 0 HD12 ILE A 38 -3.544 -0.811 -0.350 1.00 0.69 H new ATOM 0 HD13 ILE A 38 -1.771 -0.683 -0.264 1.00 0.69 H new ATOM 604 N ASP A 39 -1.976 1.762 -5.881 1.00 0.52 N ATOM 605 CA ASP A 39 -1.707 1.443 -7.282 1.00 0.73 C ATOM 606 C ASP A 39 -1.021 0.087 -7.404 1.00 0.50 C ATOM 607 O ASP A 39 -1.628 -0.894 -7.838 1.00 0.64 O ATOM 608 CB ASP A 39 -0.829 2.534 -7.906 1.00 1.08 C ATOM 609 CG ASP A 39 -0.825 2.511 -9.423 1.00 1.73 C ATOM 610 OD1 ASP A 39 -0.344 1.519 -10.012 1.00 2.16 O ATOM 611 OD2 ASP A 39 -1.289 3.501 -10.033 1.00 2.47 O ATOM 0 H ASP A 39 -1.470 2.579 -5.538 1.00 0.52 H new ATOM 0 HA ASP A 39 -2.656 1.397 -7.816 1.00 0.73 H new ATOM 0 HB2 ASP A 39 -1.178 3.509 -7.566 1.00 1.08 H new ATOM 0 HB3 ASP A 39 0.193 2.418 -7.546 1.00 1.08 H new ATOM 616 N HIS A 40 0.244 0.035 -7.013 1.00 0.37 N ATOM 617 CA HIS A 40 1.006 -1.203 -7.073 1.00 0.44 C ATOM 618 C HIS A 40 1.876 -1.368 -5.833 1.00 0.39 C ATOM 619 O HIS A 40 2.224 -0.389 -5.166 1.00 0.42 O ATOM 620 CB HIS A 40 1.866 -1.269 -8.350 1.00 0.72 C ATOM 621 CG HIS A 40 2.882 -0.166 -8.498 1.00 0.72 C ATOM 622 ND1 HIS A 40 2.765 0.839 -9.431 1.00 1.59 N ATOM 623 CD2 HIS A 40 4.051 0.067 -7.847 1.00 0.92 C ATOM 624 CE1 HIS A 40 3.814 1.639 -9.350 1.00 2.12 C ATOM 625 NE2 HIS A 40 4.609 1.192 -8.396 1.00 1.64 N ATOM 0 H HIS A 40 0.764 0.835 -6.651 1.00 0.37 H new ATOM 0 HA HIS A 40 0.293 -2.027 -7.104 1.00 0.44 H new ATOM 0 HB2 HIS A 40 2.387 -2.226 -8.368 1.00 0.72 H new ATOM 0 HB3 HIS A 40 1.204 -1.250 -9.216 1.00 0.72 H new ATOM 0 HD2 HIS A 40 4.465 -0.525 -7.044 1.00 0.92 H new ATOM 0 HE1 HIS A 40 3.991 2.511 -9.961 1.00 2.12 H new ATOM 0 HE2 HIS A 40 5.493 1.614 -8.114 1.00 1.64 H new ATOM 634 N THR A 41 2.203 -2.610 -5.521 1.00 0.41 N ATOM 635 CA THR A 41 3.038 -2.922 -4.374 1.00 0.45 C ATOM 636 C THR A 41 4.102 -3.939 -4.769 1.00 0.54 C ATOM 637 O THR A 41 3.861 -5.144 -4.743 1.00 0.73 O ATOM 638 CB THR A 41 2.198 -3.479 -3.208 1.00 0.48 C ATOM 639 OG1 THR A 41 0.876 -2.928 -3.255 1.00 0.48 O ATOM 640 CG2 THR A 41 2.841 -3.148 -1.868 1.00 0.55 C ATOM 0 H THR A 41 1.899 -3.426 -6.052 1.00 0.41 H new ATOM 0 HA THR A 41 3.516 -2.000 -4.043 1.00 0.45 H new ATOM 0 HB THR A 41 2.148 -4.563 -3.310 1.00 0.48 H new ATOM 0 HG1 THR A 41 0.753 -2.308 -2.506 1.00 0.48 H new ATOM 0 HG21 THR A 41 2.229 -3.552 -1.061 1.00 0.55 H new ATOM 0 HG22 THR A 41 3.837 -3.589 -1.824 1.00 0.55 H new ATOM 0 HG23 THR A 41 2.918 -2.066 -1.759 1.00 0.55 H new ATOM 648 N GLY A 42 5.269 -3.450 -5.154 1.00 0.55 N ATOM 649 CA GLY A 42 6.336 -4.337 -5.559 1.00 0.66 C ATOM 650 C GLY A 42 7.348 -4.552 -4.461 1.00 0.64 C ATOM 651 O GLY A 42 8.241 -3.730 -4.256 1.00 0.70 O ATOM 0 H GLY A 42 5.496 -2.456 -5.193 1.00 0.55 H new ATOM 0 HA2 GLY A 42 5.915 -5.298 -5.855 1.00 0.66 H new ATOM 0 HA3 GLY A 42 6.836 -3.924 -6.435 1.00 0.66 H new ATOM 655 N VAL A 43 7.199 -5.650 -3.741 1.00 0.67 N ATOM 656 CA VAL A 43 8.107 -5.982 -2.654 1.00 0.71 C ATOM 657 C VAL A 43 8.984 -7.160 -3.064 1.00 0.74 C ATOM 658 O VAL A 43 8.673 -7.860 -4.031 1.00 0.82 O ATOM 659 CB VAL A 43 7.338 -6.334 -1.356 1.00 0.79 C ATOM 660 CG1 VAL A 43 8.243 -6.238 -0.139 1.00 0.93 C ATOM 661 CG2 VAL A 43 6.122 -5.436 -1.183 1.00 0.80 C ATOM 0 H VAL A 43 6.454 -6.331 -3.890 1.00 0.67 H new ATOM 0 HA VAL A 43 8.725 -5.107 -2.452 1.00 0.71 H new ATOM 0 HB VAL A 43 6.995 -7.365 -1.446 1.00 0.79 H new ATOM 0 HG11 VAL A 43 7.676 -6.490 0.757 1.00 0.93 H new ATOM 0 HG12 VAL A 43 9.076 -6.933 -0.249 1.00 0.93 H new ATOM 0 HG13 VAL A 43 8.627 -5.222 -0.051 1.00 0.93 H new ATOM 0 HG21 VAL A 43 5.600 -5.704 -0.264 1.00 0.80 H new ATOM 0 HG22 VAL A 43 6.443 -4.396 -1.128 1.00 0.80 H new ATOM 0 HG23 VAL A 43 5.451 -5.564 -2.032 1.00 0.80 H new ATOM 671 N SER A 44 10.079 -7.360 -2.345 1.00 0.82 N ATOM 672 CA SER A 44 11.003 -8.447 -2.618 1.00 0.90 C ATOM 673 C SER A 44 10.301 -9.802 -2.518 1.00 1.01 C ATOM 674 O SER A 44 9.539 -10.058 -1.578 1.00 1.32 O ATOM 675 CB SER A 44 12.167 -8.368 -1.629 1.00 1.27 C ATOM 676 OG SER A 44 11.861 -7.461 -0.577 1.00 1.83 O ATOM 0 H SER A 44 10.350 -6.773 -1.557 1.00 0.82 H new ATOM 0 HA SER A 44 11.381 -8.350 -3.636 1.00 0.90 H new ATOM 0 HB2 SER A 44 12.371 -9.357 -1.218 1.00 1.27 H new ATOM 0 HB3 SER A 44 13.071 -8.045 -2.146 1.00 1.27 H new ATOM 0 HG SER A 44 12.613 -7.421 0.050 1.00 1.83 H new ATOM 759 N GLY A 51 8.114 -7.757 6.654 1.00 1.01 N ATOM 760 CA GLY A 51 8.544 -6.610 7.425 1.00 1.11 C ATOM 761 C GLY A 51 8.714 -5.373 6.569 1.00 0.88 C ATOM 762 O GLY A 51 8.116 -4.335 6.850 1.00 0.86 O ATOM 0 HA2 GLY A 51 7.815 -6.409 8.210 1.00 1.11 H new ATOM 0 HA3 GLY A 51 9.488 -6.840 7.919 1.00 1.11 H new ATOM 766 N VAL A 52 9.514 -5.491 5.514 1.00 0.80 N ATOM 767 CA VAL A 52 9.773 -4.369 4.612 1.00 0.68 C ATOM 768 C VAL A 52 8.475 -3.856 3.996 1.00 0.58 C ATOM 769 O VAL A 52 8.195 -2.656 4.008 1.00 0.56 O ATOM 770 CB VAL A 52 10.748 -4.766 3.479 1.00 0.70 C ATOM 771 CG1 VAL A 52 11.214 -3.540 2.709 1.00 0.91 C ATOM 772 CG2 VAL A 52 11.937 -5.532 4.034 1.00 1.14 C ATOM 0 H VAL A 52 9.996 -6.353 5.260 1.00 0.80 H new ATOM 0 HA VAL A 52 10.229 -3.579 5.209 1.00 0.68 H new ATOM 0 HB VAL A 52 10.213 -5.418 2.789 1.00 0.70 H new ATOM 0 HG11 VAL A 52 11.899 -3.846 1.918 1.00 0.91 H new ATOM 0 HG12 VAL A 52 10.353 -3.037 2.269 1.00 0.91 H new ATOM 0 HG13 VAL A 52 11.725 -2.857 3.387 1.00 0.91 H new ATOM 0 HG21 VAL A 52 12.609 -5.801 3.219 1.00 1.14 H new ATOM 0 HG22 VAL A 52 12.469 -4.908 4.752 1.00 1.14 H new ATOM 0 HG23 VAL A 52 11.587 -6.438 4.529 1.00 1.14 H new ATOM 782 N GLY A 53 7.683 -4.777 3.464 1.00 0.59 N ATOM 783 CA GLY A 53 6.421 -4.411 2.854 1.00 0.58 C ATOM 784 C GLY A 53 5.432 -3.849 3.856 1.00 0.51 C ATOM 785 O GLY A 53 4.707 -2.900 3.555 1.00 0.50 O ATOM 0 H GLY A 53 7.894 -5.775 3.444 1.00 0.59 H new ATOM 0 HA2 GLY A 53 6.600 -3.673 2.072 1.00 0.58 H new ATOM 0 HA3 GLY A 53 5.987 -5.287 2.372 1.00 0.58 H new ATOM 789 N LYS A 54 5.418 -4.424 5.054 1.00 0.52 N ATOM 790 CA LYS A 54 4.507 -3.980 6.106 1.00 0.50 C ATOM 791 C LYS A 54 4.838 -2.557 6.536 1.00 0.48 C ATOM 792 O LYS A 54 3.942 -1.766 6.830 1.00 0.48 O ATOM 793 CB LYS A 54 4.570 -4.921 7.312 1.00 0.59 C ATOM 794 CG LYS A 54 4.321 -6.383 6.963 1.00 0.75 C ATOM 795 CD LYS A 54 3.808 -7.172 8.161 1.00 1.08 C ATOM 796 CE LYS A 54 2.289 -7.137 8.246 1.00 1.49 C ATOM 797 NZ LYS A 54 1.778 -7.783 9.486 1.00 2.02 N ATOM 0 H LYS A 54 6.026 -5.198 5.322 1.00 0.52 H new ATOM 0 HA LYS A 54 3.494 -3.998 5.704 1.00 0.50 H new ATOM 0 HB2 LYS A 54 5.550 -4.831 7.781 1.00 0.59 H new ATOM 0 HB3 LYS A 54 3.833 -4.602 8.049 1.00 0.59 H new ATOM 0 HG2 LYS A 54 3.597 -6.444 6.151 1.00 0.75 H new ATOM 0 HG3 LYS A 54 5.245 -6.833 6.601 1.00 0.75 H new ATOM 0 HD2 LYS A 54 4.145 -8.206 8.088 1.00 1.08 H new ATOM 0 HD3 LYS A 54 4.234 -6.762 9.077 1.00 1.08 H new ATOM 0 HE2 LYS A 54 1.949 -6.102 8.212 1.00 1.49 H new ATOM 0 HE3 LYS A 54 1.867 -7.640 7.376 1.00 1.49 H new ATOM 0 HZ1 LYS A 54 0.852 -7.378 9.732 1.00 2.02 H new ATOM 0 HZ2 LYS A 54 1.677 -8.806 9.328 1.00 2.02 H new ATOM 0 HZ3 LYS A 54 2.447 -7.617 10.265 1.00 2.02 H new ATOM 811 N LYS A 55 6.129 -2.239 6.558 1.00 0.51 N ATOM 812 CA LYS A 55 6.591 -0.912 6.941 1.00 0.54 C ATOM 813 C LYS A 55 6.069 0.143 5.966 1.00 0.47 C ATOM 814 O LYS A 55 5.611 1.212 6.375 1.00 0.48 O ATOM 815 CB LYS A 55 8.118 -0.877 6.985 1.00 0.65 C ATOM 816 CG LYS A 55 8.684 0.433 7.508 1.00 1.28 C ATOM 817 CD LYS A 55 10.197 0.374 7.632 1.00 1.72 C ATOM 818 CE LYS A 55 10.752 1.663 8.208 1.00 2.30 C ATOM 819 NZ LYS A 55 12.198 1.552 8.525 1.00 2.57 N ATOM 0 H LYS A 55 6.877 -2.888 6.313 1.00 0.51 H new ATOM 0 HA LYS A 55 6.203 -0.686 7.934 1.00 0.54 H new ATOM 0 HB2 LYS A 55 8.473 -1.693 7.614 1.00 0.65 H new ATOM 0 HB3 LYS A 55 8.506 -1.056 5.982 1.00 0.65 H new ATOM 0 HG2 LYS A 55 8.404 1.245 6.837 1.00 1.28 H new ATOM 0 HG3 LYS A 55 8.246 0.657 8.481 1.00 1.28 H new ATOM 0 HD2 LYS A 55 10.480 -0.464 8.270 1.00 1.72 H new ATOM 0 HD3 LYS A 55 10.638 0.191 6.652 1.00 1.72 H new ATOM 0 HE2 LYS A 55 10.598 2.474 7.496 1.00 2.30 H new ATOM 0 HE3 LYS A 55 10.201 1.923 9.112 1.00 2.30 H new ATOM 0 HZ1 LYS A 55 12.538 2.454 8.916 1.00 2.57 H new ATOM 0 HZ2 LYS A 55 12.343 0.795 9.223 1.00 2.57 H new ATOM 0 HZ3 LYS A 55 12.727 1.329 7.658 1.00 2.57 H new ATOM 833 N LEU A 56 6.135 -0.168 4.677 1.00 0.46 N ATOM 834 CA LEU A 56 5.660 0.748 3.649 1.00 0.45 C ATOM 835 C LEU A 56 4.156 0.938 3.760 1.00 0.38 C ATOM 836 O LEU A 56 3.649 2.055 3.641 1.00 0.37 O ATOM 837 CB LEU A 56 6.019 0.230 2.258 1.00 0.54 C ATOM 838 CG LEU A 56 7.420 0.599 1.769 1.00 0.65 C ATOM 839 CD1 LEU A 56 7.616 0.129 0.340 1.00 0.86 C ATOM 840 CD2 LEU A 56 7.645 2.103 1.872 1.00 0.85 C ATOM 0 H LEU A 56 6.512 -1.046 4.320 1.00 0.46 H new ATOM 0 HA LEU A 56 6.149 1.710 3.800 1.00 0.45 H new ATOM 0 HB2 LEU A 56 5.925 -0.856 2.256 1.00 0.54 H new ATOM 0 HB3 LEU A 56 5.289 0.614 1.545 1.00 0.54 H new ATOM 0 HG LEU A 56 8.152 0.100 2.404 1.00 0.65 H new ATOM 0 HD11 LEU A 56 8.617 0.397 0.003 1.00 0.86 H new ATOM 0 HD12 LEU A 56 7.495 -0.953 0.293 1.00 0.86 H new ATOM 0 HD13 LEU A 56 6.877 0.605 -0.304 1.00 0.86 H new ATOM 0 HD21 LEU A 56 8.647 2.346 1.519 1.00 0.85 H new ATOM 0 HD22 LEU A 56 6.909 2.624 1.260 1.00 0.85 H new ATOM 0 HD23 LEU A 56 7.540 2.416 2.911 1.00 0.85 H new ATOM 852 N LEU A 57 3.449 -0.160 3.998 1.00 0.37 N ATOM 853 CA LEU A 57 2.003 -0.117 4.149 1.00 0.36 C ATOM 854 C LEU A 57 1.631 0.699 5.378 1.00 0.34 C ATOM 855 O LEU A 57 0.659 1.450 5.366 1.00 0.37 O ATOM 856 CB LEU A 57 1.433 -1.530 4.265 1.00 0.43 C ATOM 857 CG LEU A 57 1.208 -2.245 2.933 1.00 0.72 C ATOM 858 CD1 LEU A 57 1.639 -3.699 3.026 1.00 1.29 C ATOM 859 CD2 LEU A 57 -0.251 -2.149 2.519 1.00 0.71 C ATOM 0 H LEU A 57 3.855 -1.091 4.090 1.00 0.37 H new ATOM 0 HA LEU A 57 1.576 0.357 3.265 1.00 0.36 H new ATOM 0 HB2 LEU A 57 2.110 -2.130 4.873 1.00 0.43 H new ATOM 0 HB3 LEU A 57 0.484 -1.480 4.799 1.00 0.43 H new ATOM 0 HG LEU A 57 1.817 -1.755 2.173 1.00 0.72 H new ATOM 0 HD11 LEU A 57 1.471 -4.190 2.068 1.00 1.29 H new ATOM 0 HD12 LEU A 57 2.698 -3.749 3.278 1.00 1.29 H new ATOM 0 HD13 LEU A 57 1.058 -4.202 3.799 1.00 1.29 H new ATOM 0 HD21 LEU A 57 -0.394 -2.663 1.569 1.00 0.71 H new ATOM 0 HD22 LEU A 57 -0.877 -2.614 3.281 1.00 0.71 H new ATOM 0 HD23 LEU A 57 -0.530 -1.101 2.410 1.00 0.71 H new ATOM 871 N LYS A 58 2.430 0.558 6.432 1.00 0.36 N ATOM 872 CA LYS A 58 2.203 1.278 7.676 1.00 0.42 C ATOM 873 C LYS A 58 2.317 2.783 7.450 1.00 0.41 C ATOM 874 O LYS A 58 1.602 3.567 8.066 1.00 0.44 O ATOM 875 CB LYS A 58 3.212 0.826 8.737 1.00 0.50 C ATOM 876 CG LYS A 58 2.579 0.491 10.081 1.00 0.74 C ATOM 877 CD LYS A 58 2.342 1.733 10.925 1.00 1.10 C ATOM 878 CE LYS A 58 3.640 2.267 11.511 1.00 1.13 C ATOM 879 NZ LYS A 58 3.400 3.092 12.723 1.00 1.39 N ATOM 0 H LYS A 58 3.246 -0.054 6.446 1.00 0.36 H new ATOM 0 HA LYS A 58 1.196 1.056 8.028 1.00 0.42 H new ATOM 0 HB2 LYS A 58 3.746 -0.050 8.368 1.00 0.50 H new ATOM 0 HB3 LYS A 58 3.952 1.613 8.880 1.00 0.50 H new ATOM 0 HG2 LYS A 58 1.631 -0.022 9.917 1.00 0.74 H new ATOM 0 HG3 LYS A 58 3.225 -0.198 10.624 1.00 0.74 H new ATOM 0 HD2 LYS A 58 1.873 2.505 10.314 1.00 1.10 H new ATOM 0 HD3 LYS A 58 1.647 1.499 11.731 1.00 1.10 H new ATOM 0 HE2 LYS A 58 4.295 1.433 11.763 1.00 1.13 H new ATOM 0 HE3 LYS A 58 4.158 2.865 10.761 1.00 1.13 H new ATOM 0 HZ1 LYS A 58 4.301 3.493 13.054 1.00 1.39 H new ATOM 0 HZ2 LYS A 58 2.741 3.863 12.493 1.00 1.39 H new ATOM 0 HZ3 LYS A 58 2.990 2.498 13.472 1.00 1.39 H new ATOM 893 N ALA A 59 3.218 3.172 6.555 1.00 0.43 N ATOM 894 CA ALA A 59 3.422 4.578 6.228 1.00 0.48 C ATOM 895 C ALA A 59 2.173 5.166 5.584 1.00 0.44 C ATOM 896 O ALA A 59 1.774 6.292 5.881 1.00 0.47 O ATOM 897 CB ALA A 59 4.615 4.738 5.302 1.00 0.56 C ATOM 0 H ALA A 59 3.821 2.530 6.041 1.00 0.43 H new ATOM 0 HA ALA A 59 3.621 5.119 7.153 1.00 0.48 H new ATOM 0 HB1 ALA A 59 4.754 5.793 5.067 1.00 0.56 H new ATOM 0 HB2 ALA A 59 5.510 4.354 5.792 1.00 0.56 H new ATOM 0 HB3 ALA A 59 4.438 4.182 4.381 1.00 0.56 H new ATOM 903 N VAL A 60 1.560 4.390 4.701 1.00 0.39 N ATOM 904 CA VAL A 60 0.349 4.822 4.019 1.00 0.38 C ATOM 905 C VAL A 60 -0.811 4.881 5.006 1.00 0.37 C ATOM 906 O VAL A 60 -1.580 5.842 5.023 1.00 0.40 O ATOM 907 CB VAL A 60 -0.012 3.881 2.851 1.00 0.38 C ATOM 908 CG1 VAL A 60 -1.183 4.432 2.047 1.00 0.44 C ATOM 909 CG2 VAL A 60 1.192 3.656 1.950 1.00 0.41 C ATOM 0 H VAL A 60 1.882 3.458 4.440 1.00 0.39 H new ATOM 0 HA VAL A 60 0.535 5.814 3.609 1.00 0.38 H new ATOM 0 HB VAL A 60 -0.311 2.922 3.274 1.00 0.38 H new ATOM 0 HG11 VAL A 60 -1.417 3.749 1.230 1.00 0.44 H new ATOM 0 HG12 VAL A 60 -2.053 4.534 2.695 1.00 0.44 H new ATOM 0 HG13 VAL A 60 -0.918 5.408 1.640 1.00 0.44 H new ATOM 0 HG21 VAL A 60 0.916 2.990 1.133 1.00 0.41 H new ATOM 0 HG22 VAL A 60 1.525 4.611 1.543 1.00 0.41 H new ATOM 0 HG23 VAL A 60 2.000 3.206 2.528 1.00 0.41 H new ATOM 919 N VAL A 61 -0.911 3.855 5.845 1.00 0.36 N ATOM 920 CA VAL A 61 -1.961 3.784 6.853 1.00 0.40 C ATOM 921 C VAL A 61 -1.813 4.938 7.841 1.00 0.44 C ATOM 922 O VAL A 61 -2.802 5.502 8.314 1.00 0.49 O ATOM 923 CB VAL A 61 -1.926 2.435 7.610 1.00 0.43 C ATOM 924 CG1 VAL A 61 -2.943 2.410 8.745 1.00 0.53 C ATOM 925 CG2 VAL A 61 -2.168 1.278 6.650 1.00 0.43 C ATOM 0 H VAL A 61 -0.274 3.058 5.846 1.00 0.36 H new ATOM 0 HA VAL A 61 -2.922 3.861 6.344 1.00 0.40 H new ATOM 0 HB VAL A 61 -0.934 2.323 8.048 1.00 0.43 H new ATOM 0 HG11 VAL A 61 -2.893 1.449 9.257 1.00 0.53 H new ATOM 0 HG12 VAL A 61 -2.720 3.209 9.451 1.00 0.53 H new ATOM 0 HG13 VAL A 61 -3.944 2.554 8.339 1.00 0.53 H new ATOM 0 HG21 VAL A 61 -2.140 0.337 7.200 1.00 0.43 H new ATOM 0 HG22 VAL A 61 -3.144 1.394 6.179 1.00 0.43 H new ATOM 0 HG23 VAL A 61 -1.393 1.273 5.883 1.00 0.43 H new ATOM 935 N GLU A 62 -0.568 5.298 8.136 1.00 0.47 N ATOM 936 CA GLU A 62 -0.286 6.394 9.045 1.00 0.54 C ATOM 937 C GLU A 62 -0.829 7.694 8.472 1.00 0.55 C ATOM 938 O GLU A 62 -1.509 8.456 9.163 1.00 0.61 O ATOM 939 CB GLU A 62 1.217 6.517 9.284 1.00 0.61 C ATOM 940 CG GLU A 62 1.562 7.074 10.650 1.00 1.05 C ATOM 941 CD GLU A 62 1.475 6.022 11.734 1.00 1.17 C ATOM 942 OE1 GLU A 62 0.350 5.683 12.158 1.00 1.76 O ATOM 943 OE2 GLU A 62 2.533 5.526 12.173 1.00 1.53 O ATOM 0 H GLU A 62 0.262 4.843 7.755 1.00 0.47 H new ATOM 0 HA GLU A 62 -0.774 6.191 9.998 1.00 0.54 H new ATOM 0 HB2 GLU A 62 1.677 5.535 9.173 1.00 0.61 H new ATOM 0 HB3 GLU A 62 1.649 7.160 8.517 1.00 0.61 H new ATOM 0 HG2 GLU A 62 2.570 7.488 10.628 1.00 1.05 H new ATOM 0 HG3 GLU A 62 0.885 7.895 10.887 1.00 1.05 H new ATOM 950 N HIS A 63 -0.539 7.928 7.196 1.00 0.54 N ATOM 951 CA HIS A 63 -1.008 9.122 6.508 1.00 0.61 C ATOM 952 C HIS A 63 -2.527 9.100 6.416 1.00 0.61 C ATOM 953 O HIS A 63 -3.181 10.142 6.471 1.00 0.69 O ATOM 954 CB HIS A 63 -0.394 9.213 5.110 1.00 0.67 C ATOM 955 CG HIS A 63 -0.350 10.610 4.571 1.00 0.78 C ATOM 956 ND1 HIS A 63 -0.030 11.701 5.347 1.00 0.85 N ATOM 957 CD2 HIS A 63 -0.586 11.092 3.329 1.00 0.97 C ATOM 958 CE1 HIS A 63 -0.073 12.791 4.609 1.00 0.97 C ATOM 959 NE2 HIS A 63 -0.406 12.449 3.381 1.00 1.04 N ATOM 0 H HIS A 63 0.021 7.302 6.617 1.00 0.54 H new ATOM 0 HA HIS A 63 -0.697 9.999 7.076 1.00 0.61 H new ATOM 0 HB2 HIS A 63 0.618 8.810 5.139 1.00 0.67 H new ATOM 0 HB3 HIS A 63 -0.967 8.586 4.428 1.00 0.67 H new ATOM 0 HD1 HIS A 63 0.204 11.670 6.339 1.00 0.85 H new ATOM 0 HD2 HIS A 63 -0.864 10.515 2.459 1.00 0.97 H new ATOM 0 HE1 HIS A 63 0.130 13.795 4.952 1.00 0.97 H new ATOM 968 N ALA A 64 -3.077 7.900 6.283 1.00 0.56 N ATOM 969 CA ALA A 64 -4.514 7.720 6.208 1.00 0.62 C ATOM 970 C ALA A 64 -5.160 8.148 7.518 1.00 0.70 C ATOM 971 O ALA A 64 -6.243 8.717 7.522 1.00 0.85 O ATOM 972 CB ALA A 64 -4.858 6.275 5.889 1.00 0.61 C ATOM 0 H ALA A 64 -2.542 7.034 6.225 1.00 0.56 H new ATOM 0 HA ALA A 64 -4.903 8.345 5.404 1.00 0.62 H new ATOM 0 HB1 ALA A 64 -5.941 6.162 5.837 1.00 0.61 H new ATOM 0 HB2 ALA A 64 -4.418 5.999 4.931 1.00 0.61 H new ATOM 0 HB3 ALA A 64 -4.462 5.626 6.670 1.00 0.61 H new ATOM 978 N ARG A 65 -4.480 7.885 8.629 1.00 0.69 N ATOM 979 CA ARG A 65 -4.992 8.263 9.942 1.00 0.82 C ATOM 980 C ARG A 65 -4.826 9.763 10.163 1.00 0.85 C ATOM 981 O ARG A 65 -5.648 10.398 10.822 1.00 0.96 O ATOM 982 CB ARG A 65 -4.270 7.493 11.054 1.00 0.89 C ATOM 983 CG ARG A 65 -4.670 6.031 11.155 1.00 1.36 C ATOM 984 CD ARG A 65 -4.434 5.496 12.559 1.00 1.44 C ATOM 985 NE ARG A 65 -4.588 4.044 12.642 1.00 2.20 N ATOM 986 CZ ARG A 65 -5.727 3.425 12.952 1.00 2.25 C ATOM 987 NH1 ARG A 65 -6.841 4.126 13.154 1.00 1.87 N ATOM 988 NH2 ARG A 65 -5.752 2.100 13.047 1.00 3.12 N ATOM 0 H ARG A 65 -3.576 7.413 8.647 1.00 0.69 H new ATOM 0 HA ARG A 65 -6.052 8.010 9.976 1.00 0.82 H new ATOM 0 HB2 ARG A 65 -3.195 7.554 10.885 1.00 0.89 H new ATOM 0 HB3 ARG A 65 -4.470 7.980 12.008 1.00 0.89 H new ATOM 0 HG2 ARG A 65 -5.722 5.919 10.892 1.00 1.36 H new ATOM 0 HG3 ARG A 65 -4.098 5.443 10.437 1.00 1.36 H new ATOM 0 HD2 ARG A 65 -3.430 5.770 12.884 1.00 1.44 H new ATOM 0 HD3 ARG A 65 -5.133 5.972 13.247 1.00 1.44 H new ATOM 0 HE ARG A 65 -3.769 3.467 12.450 1.00 2.20 H new ATOM 0 HH11 ARG A 65 -6.826 5.143 13.072 1.00 1.87 H new ATOM 0 HH12 ARG A 65 -7.709 3.646 13.391 1.00 1.87 H new ATOM 0 HH21 ARG A 65 -4.902 1.561 12.883 1.00 3.12 H new ATOM 0 HH22 ARG A 65 -6.621 1.622 13.284 1.00 3.12 H new ATOM 1002 N GLU A 66 -3.766 10.325 9.592 1.00 0.79 N ATOM 1003 CA GLU A 66 -3.480 11.750 9.731 1.00 0.88 C ATOM 1004 C GLU A 66 -4.573 12.616 9.104 1.00 0.89 C ATOM 1005 O GLU A 66 -5.041 13.576 9.716 1.00 1.00 O ATOM 1006 CB GLU A 66 -2.137 12.103 9.086 1.00 0.90 C ATOM 1007 CG GLU A 66 -0.929 11.502 9.787 1.00 1.05 C ATOM 1008 CD GLU A 66 0.377 11.861 9.105 1.00 1.33 C ATOM 1009 OE1 GLU A 66 0.536 11.548 7.904 1.00 1.82 O ATOM 1010 OE2 GLU A 66 1.258 12.452 9.763 1.00 1.38 O ATOM 0 H GLU A 66 -3.088 9.814 9.027 1.00 0.79 H new ATOM 0 HA GLU A 66 -3.441 11.957 10.801 1.00 0.88 H new ATOM 0 HB2 GLU A 66 -2.146 11.766 8.049 1.00 0.90 H new ATOM 0 HB3 GLU A 66 -2.030 13.188 9.068 1.00 0.90 H new ATOM 0 HG2 GLU A 66 -0.903 11.849 10.820 1.00 1.05 H new ATOM 0 HG3 GLU A 66 -1.033 10.417 9.817 1.00 1.05 H new ATOM 1017 N ASN A 67 -4.976 12.275 7.887 1.00 0.82 N ATOM 1018 CA ASN A 67 -5.987 13.057 7.178 1.00 0.87 C ATOM 1019 C ASN A 67 -7.352 12.374 7.192 1.00 0.89 C ATOM 1020 O ASN A 67 -8.302 12.883 6.601 1.00 0.97 O ATOM 1021 CB ASN A 67 -5.551 13.304 5.727 1.00 0.86 C ATOM 1022 CG ASN A 67 -4.113 13.782 5.603 1.00 0.93 C ATOM 1023 OD1 ASN A 67 -3.404 13.398 4.674 1.00 1.40 O ATOM 1024 ND2 ASN A 67 -3.671 14.617 6.532 1.00 1.09 N ATOM 0 H ASN A 67 -4.623 11.469 7.371 1.00 0.82 H new ATOM 0 HA ASN A 67 -6.081 14.009 7.701 1.00 0.87 H new ATOM 0 HB2 ASN A 67 -5.670 12.382 5.157 1.00 0.86 H new ATOM 0 HB3 ASN A 67 -6.213 14.045 5.277 1.00 0.86 H new ATOM 0 HD21 ASN A 67 -2.713 14.964 6.492 1.00 1.09 H new ATOM 0 HD22 ASN A 67 -4.289 14.913 7.287 1.00 1.09 H new ATOM 1031 N ASN A 68 -7.441 11.229 7.869 1.00 0.88 N ATOM 1032 CA ASN A 68 -8.693 10.460 7.961 1.00 0.94 C ATOM 1033 C ASN A 68 -9.166 10.012 6.580 1.00 0.87 C ATOM 1034 O ASN A 68 -10.347 10.119 6.246 1.00 0.94 O ATOM 1035 CB ASN A 68 -9.798 11.266 8.655 1.00 1.10 C ATOM 1036 CG ASN A 68 -9.634 11.310 10.160 1.00 1.54 C ATOM 1037 OD1 ASN A 68 -10.110 10.424 10.876 1.00 1.99 O ATOM 1038 ND2 ASN A 68 -8.972 12.344 10.653 1.00 2.18 N ATOM 0 H ASN A 68 -6.657 10.807 8.367 1.00 0.88 H new ATOM 0 HA ASN A 68 -8.482 9.576 8.563 1.00 0.94 H new ATOM 0 HB2 ASN A 68 -9.799 12.284 8.264 1.00 1.10 H new ATOM 0 HB3 ASN A 68 -10.767 10.830 8.412 1.00 1.10 H new ATOM 0 HD21 ASN A 68 -8.839 12.431 11.661 1.00 2.18 H new ATOM 0 HD22 ASN A 68 -8.595 13.054 10.026 1.00 2.18 H new ATOM 1045 N LEU A 69 -8.237 9.481 5.798 1.00 0.78 N ATOM 1046 CA LEU A 69 -8.535 9.022 4.448 1.00 0.73 C ATOM 1047 C LEU A 69 -8.976 7.562 4.445 1.00 0.70 C ATOM 1048 O LEU A 69 -8.706 6.813 5.389 1.00 0.70 O ATOM 1049 CB LEU A 69 -7.301 9.163 3.550 1.00 0.66 C ATOM 1050 CG LEU A 69 -6.585 10.511 3.617 1.00 0.71 C ATOM 1051 CD1 LEU A 69 -5.242 10.432 2.911 1.00 0.68 C ATOM 1052 CD2 LEU A 69 -7.447 11.605 3.007 1.00 0.77 C ATOM 0 H LEU A 69 -7.264 9.357 6.077 1.00 0.78 H new ATOM 0 HA LEU A 69 -9.346 9.642 4.066 1.00 0.73 H new ATOM 0 HB2 LEU A 69 -6.590 8.381 3.815 1.00 0.66 H new ATOM 0 HB3 LEU A 69 -7.603 8.983 2.518 1.00 0.66 H new ATOM 0 HG LEU A 69 -6.410 10.758 4.664 1.00 0.71 H new ATOM 0 HD11 LEU A 69 -4.744 11.400 2.967 1.00 0.68 H new ATOM 0 HD12 LEU A 69 -4.622 9.676 3.393 1.00 0.68 H new ATOM 0 HD13 LEU A 69 -5.396 10.163 1.866 1.00 0.68 H new ATOM 0 HD21 LEU A 69 -6.920 12.558 3.064 1.00 0.77 H new ATOM 0 HD22 LEU A 69 -7.653 11.366 1.964 1.00 0.77 H new ATOM 0 HD23 LEU A 69 -8.386 11.676 3.555 1.00 0.77 H new ATOM 1064 N LYS A 70 -9.660 7.170 3.380 1.00 0.72 N ATOM 1065 CA LYS A 70 -10.114 5.798 3.220 1.00 0.70 C ATOM 1066 C LYS A 70 -9.075 5.019 2.427 1.00 0.62 C ATOM 1067 O LYS A 70 -8.573 5.504 1.410 1.00 0.60 O ATOM 1068 CB LYS A 70 -11.456 5.743 2.491 1.00 0.76 C ATOM 1069 CG LYS A 70 -12.478 6.754 2.985 1.00 0.80 C ATOM 1070 CD LYS A 70 -13.763 6.672 2.182 1.00 1.70 C ATOM 1071 CE LYS A 70 -14.591 7.934 2.335 1.00 1.93 C ATOM 1072 NZ LYS A 70 -15.792 7.909 1.464 1.00 3.05 N ATOM 0 H LYS A 70 -9.914 7.788 2.609 1.00 0.72 H new ATOM 0 HA LYS A 70 -10.244 5.358 4.209 1.00 0.70 H new ATOM 0 HB2 LYS A 70 -11.285 5.907 1.427 1.00 0.76 H new ATOM 0 HB3 LYS A 70 -11.873 4.741 2.596 1.00 0.76 H new ATOM 0 HG2 LYS A 70 -12.692 6.574 4.038 1.00 0.80 H new ATOM 0 HG3 LYS A 70 -12.064 7.760 2.912 1.00 0.80 H new ATOM 0 HD2 LYS A 70 -13.527 6.515 1.130 1.00 1.70 H new ATOM 0 HD3 LYS A 70 -14.345 5.811 2.510 1.00 1.70 H new ATOM 0 HE2 LYS A 70 -14.898 8.045 3.375 1.00 1.93 H new ATOM 0 HE3 LYS A 70 -13.980 8.803 2.089 1.00 1.93 H new ATOM 0 HZ1 LYS A 70 -16.093 8.883 1.259 1.00 3.05 H new ATOM 0 HZ2 LYS A 70 -15.565 7.422 0.573 1.00 3.05 H new ATOM 0 HZ3 LYS A 70 -16.561 7.404 1.948 1.00 3.05 H new ATOM 1086 N ILE A 71 -8.754 3.824 2.890 1.00 0.62 N ATOM 1087 CA ILE A 71 -7.762 2.992 2.227 1.00 0.57 C ATOM 1088 C ILE A 71 -8.412 1.891 1.396 1.00 0.56 C ATOM 1089 O ILE A 71 -9.241 1.123 1.889 1.00 0.62 O ATOM 1090 CB ILE A 71 -6.797 2.355 3.258 1.00 0.59 C ATOM 1091 CG1 ILE A 71 -5.865 3.419 3.847 1.00 0.60 C ATOM 1092 CG2 ILE A 71 -5.984 1.228 2.631 1.00 0.64 C ATOM 1093 CD1 ILE A 71 -4.773 3.871 2.904 1.00 0.86 C ATOM 0 H ILE A 71 -9.166 3.406 3.724 1.00 0.62 H new ATOM 0 HA ILE A 71 -7.199 3.643 1.558 1.00 0.57 H new ATOM 0 HB ILE A 71 -7.399 1.930 4.061 1.00 0.59 H new ATOM 0 HG12 ILE A 71 -6.459 4.285 4.140 1.00 0.60 H new ATOM 0 HG13 ILE A 71 -5.407 3.024 4.754 1.00 0.60 H new ATOM 0 HG21 ILE A 71 -5.316 0.801 3.379 1.00 0.64 H new ATOM 0 HG22 ILE A 71 -6.658 0.455 2.263 1.00 0.64 H new ATOM 0 HG23 ILE A 71 -5.396 1.621 1.802 1.00 0.64 H new ATOM 0 HD11 ILE A 71 -4.157 4.624 3.395 1.00 0.86 H new ATOM 0 HD12 ILE A 71 -4.153 3.018 2.629 1.00 0.86 H new ATOM 0 HD13 ILE A 71 -5.221 4.298 2.007 1.00 0.86 H new ATOM 1105 N ILE A 72 -8.053 1.855 0.126 1.00 0.53 N ATOM 1106 CA ILE A 72 -8.531 0.837 -0.793 1.00 0.54 C ATOM 1107 C ILE A 72 -7.347 0.353 -1.620 1.00 0.50 C ATOM 1108 O ILE A 72 -6.412 1.115 -1.868 1.00 0.75 O ATOM 1109 CB ILE A 72 -9.666 1.332 -1.725 1.00 0.58 C ATOM 1110 CG1 ILE A 72 -9.469 2.806 -2.125 1.00 0.59 C ATOM 1111 CG2 ILE A 72 -11.026 1.119 -1.069 1.00 0.65 C ATOM 1112 CD1 ILE A 72 -10.189 3.806 -1.238 1.00 0.99 C ATOM 0 H ILE A 72 -7.420 2.533 -0.299 1.00 0.53 H new ATOM 0 HA ILE A 72 -8.962 0.028 -0.204 1.00 0.54 H new ATOM 0 HB ILE A 72 -9.629 0.741 -2.640 1.00 0.58 H new ATOM 0 HG12 ILE A 72 -8.403 3.032 -2.113 1.00 0.59 H new ATOM 0 HG13 ILE A 72 -9.812 2.939 -3.151 1.00 0.59 H new ATOM 0 HG21 ILE A 72 -11.812 1.472 -1.737 1.00 0.65 H new ATOM 0 HG22 ILE A 72 -11.171 0.058 -0.868 1.00 0.65 H new ATOM 0 HG23 ILE A 72 -11.069 1.675 -0.132 1.00 0.65 H new ATOM 0 HD11 ILE A 72 -9.993 4.817 -1.595 1.00 0.99 H new ATOM 0 HD12 ILE A 72 -11.261 3.613 -1.268 1.00 0.99 H new ATOM 0 HD13 ILE A 72 -9.831 3.708 -0.213 1.00 0.99 H new ATOM 1124 N ALA A 73 -7.363 -0.899 -2.038 1.00 0.44 N ATOM 1125 CA ALA A 73 -6.246 -1.438 -2.799 1.00 0.43 C ATOM 1126 C ALA A 73 -6.696 -2.086 -4.093 1.00 0.43 C ATOM 1127 O ALA A 73 -7.712 -2.781 -4.136 1.00 0.47 O ATOM 1128 CB ALA A 73 -5.473 -2.438 -1.956 1.00 0.50 C ATOM 0 H ALA A 73 -8.125 -1.556 -1.868 1.00 0.44 H new ATOM 0 HA ALA A 73 -5.597 -0.602 -3.061 1.00 0.43 H new ATOM 0 HB1 ALA A 73 -4.639 -2.835 -2.535 1.00 0.50 H new ATOM 0 HB2 ALA A 73 -5.091 -1.943 -1.063 1.00 0.50 H new ATOM 0 HB3 ALA A 73 -6.133 -3.255 -1.664 1.00 0.50 H new ATOM 1134 N SER A 74 -5.938 -1.846 -5.151 1.00 0.48 N ATOM 1135 CA SER A 74 -6.237 -2.419 -6.449 1.00 0.53 C ATOM 1136 C SER A 74 -5.433 -3.705 -6.652 1.00 0.46 C ATOM 1137 O SER A 74 -5.877 -4.632 -7.331 1.00 0.55 O ATOM 1138 CB SER A 74 -5.920 -1.403 -7.548 1.00 0.69 C ATOM 1139 OG SER A 74 -6.445 -0.122 -7.220 1.00 0.94 O ATOM 0 H SER A 74 -5.107 -1.255 -5.133 1.00 0.48 H new ATOM 0 HA SER A 74 -7.297 -2.666 -6.499 1.00 0.53 H new ATOM 0 HB2 SER A 74 -4.841 -1.334 -7.685 1.00 0.69 H new ATOM 0 HB3 SER A 74 -6.341 -1.742 -8.495 1.00 0.69 H new ATOM 0 HG SER A 74 -6.520 0.419 -8.034 1.00 0.94 H new ATOM 1145 N CYS A 75 -4.256 -3.758 -6.036 1.00 0.45 N ATOM 1146 CA CYS A 75 -3.383 -4.922 -6.134 1.00 0.48 C ATOM 1147 C CYS A 75 -3.823 -6.023 -5.170 1.00 0.45 C ATOM 1148 O CYS A 75 -4.396 -5.745 -4.115 1.00 0.41 O ATOM 1149 CB CYS A 75 -1.940 -4.510 -5.843 1.00 0.59 C ATOM 1150 SG CYS A 75 -1.753 -2.760 -5.429 1.00 1.31 S ATOM 0 H CYS A 75 -3.883 -3.003 -5.460 1.00 0.45 H new ATOM 0 HA CYS A 75 -3.448 -5.318 -7.147 1.00 0.48 H new ATOM 0 HB2 CYS A 75 -1.559 -5.112 -5.018 1.00 0.59 H new ATOM 0 HB3 CYS A 75 -1.324 -4.736 -6.714 1.00 0.59 H new ATOM 0 HG CYS A 75 -1.900 -2.042 -6.503 1.00 1.31 H new ATOM 1156 N SER A 76 -3.539 -7.267 -5.533 1.00 0.57 N ATOM 1157 CA SER A 76 -3.919 -8.420 -4.725 1.00 0.64 C ATOM 1158 C SER A 76 -3.185 -8.445 -3.383 1.00 0.61 C ATOM 1159 O SER A 76 -3.817 -8.511 -2.332 1.00 0.61 O ATOM 1160 CB SER A 76 -3.633 -9.705 -5.504 1.00 0.82 C ATOM 1161 OG SER A 76 -2.621 -9.484 -6.474 1.00 1.12 O ATOM 0 H SER A 76 -3.041 -7.505 -6.391 1.00 0.57 H new ATOM 0 HA SER A 76 -4.985 -8.344 -4.511 1.00 0.64 H new ATOM 0 HB2 SER A 76 -3.321 -10.492 -4.817 1.00 0.82 H new ATOM 0 HB3 SER A 76 -4.544 -10.051 -5.993 1.00 0.82 H new ATOM 0 HG SER A 76 -2.449 -10.316 -6.962 1.00 1.12 H new ATOM 1167 N PHE A 77 -1.854 -8.381 -3.425 1.00 0.63 N ATOM 1168 CA PHE A 77 -1.047 -8.420 -2.203 1.00 0.62 C ATOM 1169 C PHE A 77 -1.438 -7.315 -1.227 1.00 0.55 C ATOM 1170 O PHE A 77 -1.660 -7.573 -0.041 1.00 0.58 O ATOM 1171 CB PHE A 77 0.444 -8.313 -2.523 1.00 0.68 C ATOM 1172 CG PHE A 77 1.306 -8.342 -1.289 1.00 0.74 C ATOM 1173 CD1 PHE A 77 1.545 -9.533 -0.617 1.00 0.83 C ATOM 1174 CD2 PHE A 77 1.896 -7.182 -0.815 1.00 0.77 C ATOM 1175 CE1 PHE A 77 2.354 -9.563 0.502 1.00 0.93 C ATOM 1176 CE2 PHE A 77 2.704 -7.206 0.305 1.00 0.87 C ATOM 1177 CZ PHE A 77 2.863 -8.395 1.013 1.00 0.95 C ATOM 0 H PHE A 77 -1.313 -8.302 -4.286 1.00 0.63 H new ATOM 0 HA PHE A 77 -1.244 -9.382 -1.730 1.00 0.62 H new ATOM 0 HB2 PHE A 77 0.730 -9.134 -3.181 1.00 0.68 H new ATOM 0 HB3 PHE A 77 0.629 -7.388 -3.069 1.00 0.68 H new ATOM 0 HD1 PHE A 77 1.093 -10.447 -0.973 1.00 0.83 H new ATOM 0 HD2 PHE A 77 1.722 -6.247 -1.327 1.00 0.77 H new ATOM 0 HE1 PHE A 77 2.586 -10.506 0.975 1.00 0.93 H new ATOM 0 HE2 PHE A 77 3.209 -6.308 0.630 1.00 0.87 H new ATOM 0 HZ PHE A 77 3.384 -8.398 1.959 1.00 0.95 H new ATOM 1187 N ALA A 78 -1.514 -6.088 -1.732 1.00 0.50 N ATOM 1188 CA ALA A 78 -1.871 -4.940 -0.911 1.00 0.46 C ATOM 1189 C ALA A 78 -3.202 -5.172 -0.216 1.00 0.44 C ATOM 1190 O ALA A 78 -3.321 -5.001 0.996 1.00 0.45 O ATOM 1191 CB ALA A 78 -1.930 -3.681 -1.759 1.00 0.47 C ATOM 0 H ALA A 78 -1.332 -5.864 -2.710 1.00 0.50 H new ATOM 0 HA ALA A 78 -1.103 -4.811 -0.148 1.00 0.46 H new ATOM 0 HB1 ALA A 78 -2.198 -2.831 -1.131 1.00 0.47 H new ATOM 0 HB2 ALA A 78 -0.956 -3.503 -2.214 1.00 0.47 H new ATOM 0 HB3 ALA A 78 -2.679 -3.804 -2.542 1.00 0.47 H new ATOM 1197 N LYS A 79 -4.194 -5.588 -0.994 1.00 0.44 N ATOM 1198 CA LYS A 79 -5.521 -5.848 -0.464 1.00 0.47 C ATOM 1199 C LYS A 79 -5.485 -6.995 0.541 1.00 0.52 C ATOM 1200 O LYS A 79 -6.068 -6.903 1.617 1.00 0.55 O ATOM 1201 CB LYS A 79 -6.481 -6.184 -1.603 1.00 0.51 C ATOM 1202 CG LYS A 79 -7.938 -6.203 -1.186 1.00 0.63 C ATOM 1203 CD LYS A 79 -8.806 -6.901 -2.219 1.00 0.87 C ATOM 1204 CE LYS A 79 -10.251 -6.983 -1.759 1.00 1.11 C ATOM 1205 NZ LYS A 79 -10.353 -7.398 -0.334 1.00 1.27 N ATOM 0 H LYS A 79 -4.101 -5.752 -1.996 1.00 0.44 H new ATOM 0 HA LYS A 79 -5.870 -4.951 0.047 1.00 0.47 H new ATOM 0 HB2 LYS A 79 -6.351 -5.455 -2.403 1.00 0.51 H new ATOM 0 HB3 LYS A 79 -6.217 -7.159 -2.013 1.00 0.51 H new ATOM 0 HG2 LYS A 79 -8.036 -6.709 -0.226 1.00 0.63 H new ATOM 0 HG3 LYS A 79 -8.290 -5.181 -1.045 1.00 0.63 H new ATOM 0 HD2 LYS A 79 -8.753 -6.363 -3.165 1.00 0.87 H new ATOM 0 HD3 LYS A 79 -8.422 -7.905 -2.401 1.00 0.87 H new ATOM 0 HE2 LYS A 79 -10.730 -6.013 -1.891 1.00 1.11 H new ATOM 0 HE3 LYS A 79 -10.792 -7.693 -2.384 1.00 1.11 H new ATOM 0 HZ1 LYS A 79 -11.248 -7.905 -0.183 1.00 1.27 H new ATOM 0 HZ2 LYS A 79 -9.557 -8.023 -0.097 1.00 1.27 H new ATOM 0 HZ3 LYS A 79 -10.325 -6.556 0.276 1.00 1.27 H new ATOM 1219 N HIS A 80 -4.777 -8.064 0.186 1.00 0.56 N ATOM 1220 CA HIS A 80 -4.665 -9.242 1.042 1.00 0.64 C ATOM 1221 C HIS A 80 -4.066 -8.891 2.404 1.00 0.60 C ATOM 1222 O HIS A 80 -4.464 -9.447 3.425 1.00 0.60 O ATOM 1223 CB HIS A 80 -3.818 -10.317 0.361 1.00 0.77 C ATOM 1224 CG HIS A 80 -3.945 -11.668 0.995 1.00 0.90 C ATOM 1225 ND1 HIS A 80 -5.160 -12.263 1.260 1.00 1.09 N ATOM 1226 CD2 HIS A 80 -3.000 -12.549 1.400 1.00 0.99 C ATOM 1227 CE1 HIS A 80 -4.955 -13.453 1.794 1.00 1.21 C ATOM 1228 NE2 HIS A 80 -3.653 -13.653 1.891 1.00 1.13 N ATOM 0 H HIS A 80 -4.269 -8.139 -0.695 1.00 0.56 H new ATOM 0 HA HIS A 80 -5.671 -9.628 1.205 1.00 0.64 H new ATOM 0 HB2 HIS A 80 -4.109 -10.387 -0.687 1.00 0.77 H new ATOM 0 HB3 HIS A 80 -2.772 -10.011 0.382 1.00 0.77 H new ATOM 0 HD1 HIS A 80 -6.073 -11.849 1.073 1.00 1.09 H new ATOM 0 HD2 HIS A 80 -1.930 -12.409 1.347 1.00 0.99 H new ATOM 0 HE1 HIS A 80 -5.724 -14.147 2.100 1.00 1.21 H new ATOM 1237 N MET A 81 -3.106 -7.978 2.414 1.00 0.58 N ATOM 1238 CA MET A 81 -2.476 -7.556 3.657 1.00 0.59 C ATOM 1239 C MET A 81 -3.492 -6.838 4.536 1.00 0.54 C ATOM 1240 O MET A 81 -3.566 -7.072 5.744 1.00 0.58 O ATOM 1241 CB MET A 81 -1.294 -6.633 3.371 1.00 0.64 C ATOM 1242 CG MET A 81 -0.649 -6.079 4.631 1.00 1.25 C ATOM 1243 SD MET A 81 0.457 -7.263 5.422 1.00 1.51 S ATOM 1244 CE MET A 81 1.868 -7.190 4.324 1.00 1.09 C ATOM 0 H MET A 81 -2.747 -7.516 1.578 1.00 0.58 H new ATOM 0 HA MET A 81 -2.110 -8.440 4.179 1.00 0.59 H new ATOM 0 HB2 MET A 81 -0.545 -7.179 2.797 1.00 0.64 H new ATOM 0 HB3 MET A 81 -1.631 -5.804 2.748 1.00 0.64 H new ATOM 0 HG2 MET A 81 -0.091 -5.176 4.382 1.00 1.25 H new ATOM 0 HG3 MET A 81 -1.428 -5.788 5.336 1.00 1.25 H new ATOM 0 HE1 MET A 81 2.635 -7.883 4.670 1.00 1.09 H new ATOM 0 HE2 MET A 81 1.559 -7.465 3.316 1.00 1.09 H new ATOM 0 HE3 MET A 81 2.271 -6.177 4.317 1.00 1.09 H new ATOM 1254 N LEU A 82 -4.286 -5.987 3.906 1.00 0.50 N ATOM 1255 CA LEU A 82 -5.305 -5.217 4.603 1.00 0.51 C ATOM 1256 C LEU A 82 -6.395 -6.132 5.160 1.00 0.56 C ATOM 1257 O LEU A 82 -7.008 -5.830 6.181 1.00 0.58 O ATOM 1258 CB LEU A 82 -5.916 -4.180 3.658 1.00 0.53 C ATOM 1259 CG LEU A 82 -4.917 -3.207 3.025 1.00 0.52 C ATOM 1260 CD1 LEU A 82 -5.534 -2.500 1.833 1.00 0.58 C ATOM 1261 CD2 LEU A 82 -4.443 -2.192 4.050 1.00 0.49 C ATOM 0 H LEU A 82 -4.243 -5.811 2.902 1.00 0.50 H new ATOM 0 HA LEU A 82 -4.834 -4.702 5.440 1.00 0.51 H new ATOM 0 HB2 LEU A 82 -6.443 -4.704 2.861 1.00 0.53 H new ATOM 0 HB3 LEU A 82 -6.661 -3.605 4.208 1.00 0.53 H new ATOM 0 HG LEU A 82 -4.058 -3.781 2.677 1.00 0.52 H new ATOM 0 HD11 LEU A 82 -4.806 -1.814 1.400 1.00 0.58 H new ATOM 0 HD12 LEU A 82 -5.828 -3.237 1.085 1.00 0.58 H new ATOM 0 HD13 LEU A 82 -6.412 -1.941 2.156 1.00 0.58 H new ATOM 0 HD21 LEU A 82 -3.734 -1.508 3.584 1.00 0.49 H new ATOM 0 HD22 LEU A 82 -5.297 -1.628 4.426 1.00 0.49 H new ATOM 0 HD23 LEU A 82 -3.958 -2.710 4.877 1.00 0.49 H new ATOM 1273 N GLU A 83 -6.631 -7.248 4.476 1.00 0.62 N ATOM 1274 CA GLU A 83 -7.635 -8.216 4.910 1.00 0.70 C ATOM 1275 C GLU A 83 -7.169 -8.944 6.167 1.00 0.68 C ATOM 1276 O GLU A 83 -7.975 -9.338 7.012 1.00 0.72 O ATOM 1277 CB GLU A 83 -7.895 -9.258 3.816 1.00 0.85 C ATOM 1278 CG GLU A 83 -8.324 -8.681 2.478 1.00 1.15 C ATOM 1279 CD GLU A 83 -8.238 -9.700 1.358 1.00 1.25 C ATOM 1280 OE1 GLU A 83 -7.458 -10.672 1.482 1.00 1.46 O ATOM 1281 OE2 GLU A 83 -8.956 -9.545 0.347 1.00 1.45 O ATOM 0 H GLU A 83 -6.141 -7.505 3.619 1.00 0.62 H new ATOM 0 HA GLU A 83 -8.552 -7.665 5.118 1.00 0.70 H new ATOM 0 HB2 GLU A 83 -6.988 -9.845 3.669 1.00 0.85 H new ATOM 0 HB3 GLU A 83 -8.666 -9.945 4.164 1.00 0.85 H new ATOM 0 HG2 GLU A 83 -9.347 -8.314 2.554 1.00 1.15 H new ATOM 0 HG3 GLU A 83 -7.695 -7.824 2.236 1.00 1.15 H new ATOM 1288 N LYS A 84 -5.862 -9.135 6.275 1.00 0.67 N ATOM 1289 CA LYS A 84 -5.285 -9.840 7.410 1.00 0.69 C ATOM 1290 C LYS A 84 -5.060 -8.913 8.599 1.00 0.68 C ATOM 1291 O LYS A 84 -5.440 -9.236 9.724 1.00 0.67 O ATOM 1292 CB LYS A 84 -3.964 -10.500 7.010 1.00 0.76 C ATOM 1293 CG LYS A 84 -4.111 -11.566 5.936 1.00 0.99 C ATOM 1294 CD LYS A 84 -2.817 -12.342 5.740 1.00 1.43 C ATOM 1295 CE LYS A 84 -2.770 -13.604 6.593 1.00 1.94 C ATOM 1296 NZ LYS A 84 -2.615 -13.305 8.042 1.00 2.33 N ATOM 0 H LYS A 84 -5.180 -8.811 5.589 1.00 0.67 H new ATOM 0 HA LYS A 84 -5.998 -10.607 7.713 1.00 0.69 H new ATOM 0 HB2 LYS A 84 -3.278 -9.731 6.654 1.00 0.76 H new ATOM 0 HB3 LYS A 84 -3.510 -10.948 7.894 1.00 0.76 H new ATOM 0 HG2 LYS A 84 -4.911 -12.254 6.211 1.00 0.99 H new ATOM 0 HG3 LYS A 84 -4.402 -11.099 4.995 1.00 0.99 H new ATOM 0 HD2 LYS A 84 -2.712 -12.611 4.689 1.00 1.43 H new ATOM 0 HD3 LYS A 84 -1.970 -11.703 5.991 1.00 1.43 H new ATOM 0 HE2 LYS A 84 -3.684 -14.177 6.439 1.00 1.94 H new ATOM 0 HE3 LYS A 84 -1.941 -14.231 6.264 1.00 1.94 H new ATOM 0 HZ1 LYS A 84 -2.238 -14.142 8.531 1.00 2.33 H new ATOM 0 HZ2 LYS A 84 -1.958 -12.508 8.164 1.00 2.33 H new ATOM 0 HZ3 LYS A 84 -3.540 -13.056 8.446 1.00 2.33 H new ATOM 1310 N GLU A 85 -4.447 -7.765 8.349 1.00 0.84 N ATOM 1311 CA GLU A 85 -4.161 -6.809 9.407 1.00 0.96 C ATOM 1312 C GLU A 85 -5.429 -6.065 9.826 1.00 0.93 C ATOM 1313 O GLU A 85 -5.912 -5.181 9.117 1.00 0.86 O ATOM 1314 CB GLU A 85 -3.089 -5.820 8.949 1.00 1.07 C ATOM 1315 CG GLU A 85 -2.401 -5.091 10.092 1.00 1.07 C ATOM 1316 CD GLU A 85 -1.347 -5.934 10.780 1.00 1.29 C ATOM 1317 OE1 GLU A 85 -0.256 -6.121 10.201 1.00 1.49 O ATOM 1318 OE2 GLU A 85 -1.596 -6.399 11.912 1.00 1.60 O ATOM 0 H GLU A 85 -4.138 -7.473 7.422 1.00 0.84 H new ATOM 0 HA GLU A 85 -3.788 -7.356 10.272 1.00 0.96 H new ATOM 0 HB2 GLU A 85 -2.339 -6.355 8.367 1.00 1.07 H new ATOM 0 HB3 GLU A 85 -3.545 -5.086 8.284 1.00 1.07 H new ATOM 0 HG2 GLU A 85 -1.938 -4.181 9.710 1.00 1.07 H new ATOM 0 HG3 GLU A 85 -3.149 -4.785 10.824 1.00 1.07 H new ATOM 1325 N ASP A 86 -5.953 -6.426 10.991 1.00 1.07 N ATOM 1326 CA ASP A 86 -7.170 -5.817 11.523 1.00 1.10 C ATOM 1327 C ASP A 86 -6.977 -4.324 11.771 1.00 1.02 C ATOM 1328 O ASP A 86 -7.888 -3.526 11.548 1.00 0.99 O ATOM 1329 CB ASP A 86 -7.575 -6.508 12.825 1.00 1.36 C ATOM 1330 CG ASP A 86 -8.778 -5.859 13.486 1.00 1.96 C ATOM 1331 OD1 ASP A 86 -9.911 -6.064 13.002 1.00 2.66 O ATOM 1332 OD2 ASP A 86 -8.596 -5.130 14.482 1.00 2.27 O ATOM 0 H ASP A 86 -5.550 -7.145 11.592 1.00 1.07 H new ATOM 0 HA ASP A 86 -7.960 -5.942 10.783 1.00 1.10 H new ATOM 0 HB2 ASP A 86 -7.799 -7.555 12.621 1.00 1.36 H new ATOM 0 HB3 ASP A 86 -6.733 -6.491 13.517 1.00 1.36 H new ATOM 1337 N SER A 87 -5.781 -3.953 12.216 1.00 1.05 N ATOM 1338 CA SER A 87 -5.453 -2.562 12.502 1.00 1.08 C ATOM 1339 C SER A 87 -5.541 -1.701 11.243 1.00 0.93 C ATOM 1340 O SER A 87 -5.819 -0.502 11.312 1.00 0.97 O ATOM 1341 CB SER A 87 -4.045 -2.496 13.092 1.00 1.27 C ATOM 1342 OG SER A 87 -3.565 -3.805 13.367 1.00 1.46 O ATOM 0 H SER A 87 -5.016 -4.605 12.388 1.00 1.05 H new ATOM 0 HA SER A 87 -6.175 -2.169 13.218 1.00 1.08 H new ATOM 0 HB2 SER A 87 -3.374 -1.994 12.395 1.00 1.27 H new ATOM 0 HB3 SER A 87 -4.054 -1.905 14.008 1.00 1.27 H new ATOM 0 HG SER A 87 -2.662 -3.750 13.743 1.00 1.46 H new ATOM 1348 N TYR A 88 -5.321 -2.318 10.089 1.00 0.91 N ATOM 1349 CA TYR A 88 -5.373 -1.601 8.824 1.00 0.88 C ATOM 1350 C TYR A 88 -6.815 -1.439 8.362 1.00 0.89 C ATOM 1351 O TYR A 88 -7.136 -0.511 7.618 1.00 0.80 O ATOM 1352 CB TYR A 88 -4.554 -2.327 7.754 1.00 0.93 C ATOM 1353 CG TYR A 88 -3.049 -2.274 7.964 1.00 0.89 C ATOM 1354 CD1 TYR A 88 -2.512 -1.622 9.070 1.00 0.93 C ATOM 1355 CD2 TYR A 88 -2.163 -2.866 7.065 1.00 0.95 C ATOM 1356 CE1 TYR A 88 -1.145 -1.562 9.276 1.00 0.94 C ATOM 1357 CE2 TYR A 88 -0.795 -2.808 7.264 1.00 0.97 C ATOM 1358 CZ TYR A 88 -0.285 -2.197 8.331 1.00 0.93 C ATOM 1359 OH TYR A 88 1.070 -2.092 8.565 1.00 1.00 O ATOM 0 H TYR A 88 -5.105 -3.311 10.004 1.00 0.91 H new ATOM 0 HA TYR A 88 -4.941 -0.612 8.977 1.00 0.88 H new ATOM 0 HB2 TYR A 88 -4.867 -3.371 7.722 1.00 0.93 H new ATOM 0 HB3 TYR A 88 -4.787 -1.894 6.781 1.00 0.93 H new ATOM 0 HD1 TYR A 88 -3.175 -1.153 9.782 1.00 0.93 H new ATOM 0 HD2 TYR A 88 -2.551 -3.379 6.198 1.00 0.95 H new ATOM 0 HE1 TYR A 88 -0.738 -1.046 10.133 1.00 0.94 H new ATOM 0 HE2 TYR A 88 -0.132 -3.265 6.544 1.00 0.97 H new ATOM 0 HH TYR A 88 1.561 -2.562 7.859 1.00 1.00 H new ATOM 1369 N GLN A 89 -7.689 -2.329 8.830 1.00 1.08 N ATOM 1370 CA GLN A 89 -9.106 -2.285 8.472 1.00 1.18 C ATOM 1371 C GLN A 89 -9.778 -1.052 9.070 1.00 1.16 C ATOM 1372 O GLN A 89 -10.922 -0.742 8.748 1.00 1.26 O ATOM 1373 CB GLN A 89 -9.836 -3.546 8.944 1.00 1.43 C ATOM 1374 CG GLN A 89 -9.471 -4.800 8.168 1.00 1.61 C ATOM 1375 CD GLN A 89 -10.556 -5.861 8.220 1.00 1.98 C ATOM 1376 OE1 GLN A 89 -10.711 -6.653 7.292 1.00 2.42 O ATOM 1377 NE2 GLN A 89 -11.327 -5.876 9.297 1.00 2.33 N ATOM 0 H GLN A 89 -7.440 -3.092 9.460 1.00 1.08 H new ATOM 0 HA GLN A 89 -9.166 -2.233 7.385 1.00 1.18 H new ATOM 0 HB2 GLN A 89 -9.615 -3.707 9.999 1.00 1.43 H new ATOM 0 HB3 GLN A 89 -10.911 -3.382 8.865 1.00 1.43 H new ATOM 0 HG2 GLN A 89 -9.278 -4.535 7.128 1.00 1.61 H new ATOM 0 HG3 GLN A 89 -8.546 -5.213 8.569 1.00 1.61 H new ATOM 0 HE21 GLN A 89 -11.168 -5.203 10.047 1.00 2.33 H new ATOM 0 HE22 GLN A 89 -12.079 -6.560 9.376 1.00 2.33 H new ATOM 1386 N ASP A 90 -9.066 -0.364 9.955 1.00 1.11 N ATOM 1387 CA ASP A 90 -9.580 0.847 10.581 1.00 1.17 C ATOM 1388 C ASP A 90 -9.766 1.930 9.533 1.00 1.09 C ATOM 1389 O ASP A 90 -10.692 2.737 9.607 1.00 1.33 O ATOM 1390 CB ASP A 90 -8.619 1.351 11.658 1.00 1.18 C ATOM 1391 CG ASP A 90 -8.999 0.900 13.051 1.00 1.69 C ATOM 1392 OD1 ASP A 90 -10.178 0.548 13.276 1.00 2.44 O ATOM 1393 OD2 ASP A 90 -8.117 0.911 13.939 1.00 2.03 O ATOM 0 H ASP A 90 -8.127 -0.626 10.256 1.00 1.11 H new ATOM 0 HA ASP A 90 -10.538 0.611 11.044 1.00 1.17 H new ATOM 0 HB2 ASP A 90 -7.612 1.000 11.431 1.00 1.18 H new ATOM 0 HB3 ASP A 90 -8.591 2.440 11.630 1.00 1.18 H new ATOM 1398 N VAL A 91 -8.870 1.938 8.559 1.00 0.83 N ATOM 1399 CA VAL A 91 -8.919 2.913 7.483 1.00 0.79 C ATOM 1400 C VAL A 91 -9.291 2.246 6.161 1.00 0.73 C ATOM 1401 O VAL A 91 -9.887 2.875 5.281 1.00 0.76 O ATOM 1402 CB VAL A 91 -7.575 3.660 7.334 1.00 0.78 C ATOM 1403 CG1 VAL A 91 -7.359 4.607 8.503 1.00 0.87 C ATOM 1404 CG2 VAL A 91 -6.417 2.679 7.234 1.00 0.78 C ATOM 0 H VAL A 91 -8.097 1.276 8.492 1.00 0.83 H new ATOM 0 HA VAL A 91 -9.688 3.641 7.741 1.00 0.79 H new ATOM 0 HB VAL A 91 -7.614 4.242 6.413 1.00 0.78 H new ATOM 0 HG11 VAL A 91 -6.407 5.124 8.381 1.00 0.87 H new ATOM 0 HG12 VAL A 91 -8.168 5.337 8.534 1.00 0.87 H new ATOM 0 HG13 VAL A 91 -7.347 4.039 9.434 1.00 0.87 H new ATOM 0 HG21 VAL A 91 -5.482 3.229 7.130 1.00 0.78 H new ATOM 0 HG22 VAL A 91 -6.380 2.067 8.135 1.00 0.78 H new ATOM 0 HG23 VAL A 91 -6.559 2.036 6.365 1.00 0.78 H new ATOM 1414 N TYR A 92 -8.947 0.970 6.032 1.00 0.72 N ATOM 1415 CA TYR A 92 -9.252 0.210 4.828 1.00 0.71 C ATOM 1416 C TYR A 92 -10.716 -0.206 4.822 1.00 0.80 C ATOM 1417 O TYR A 92 -11.242 -0.684 5.827 1.00 0.98 O ATOM 1418 CB TYR A 92 -8.334 -1.021 4.731 1.00 0.76 C ATOM 1419 CG TYR A 92 -8.841 -2.130 3.824 1.00 0.81 C ATOM 1420 CD1 TYR A 92 -8.932 -1.935 2.452 1.00 0.82 C ATOM 1421 CD2 TYR A 92 -9.237 -3.361 4.336 1.00 0.93 C ATOM 1422 CE1 TYR A 92 -9.400 -2.930 1.616 1.00 0.93 C ATOM 1423 CE2 TYR A 92 -9.708 -4.363 3.505 1.00 1.02 C ATOM 1424 CZ TYR A 92 -9.754 -4.183 2.178 1.00 1.02 C ATOM 1425 OH TYR A 92 -10.251 -5.137 1.311 1.00 1.14 O ATOM 0 H TYR A 92 -8.455 0.439 6.750 1.00 0.72 H new ATOM 0 HA TYR A 92 -9.074 0.842 3.958 1.00 0.71 H new ATOM 0 HB2 TYR A 92 -7.356 -0.699 4.374 1.00 0.76 H new ATOM 0 HB3 TYR A 92 -8.190 -1.428 5.732 1.00 0.76 H new ATOM 0 HD1 TYR A 92 -8.631 -0.987 2.031 1.00 0.82 H new ATOM 0 HD2 TYR A 92 -9.176 -3.538 5.400 1.00 0.93 H new ATOM 0 HE1 TYR A 92 -9.495 -2.757 0.554 1.00 0.93 H new ATOM 0 HE2 TYR A 92 -10.041 -5.298 3.930 1.00 1.02 H new ATOM 0 HH TYR A 92 -10.504 -4.711 0.466 1.00 1.14 H new ATOM 1435 N LEU A 93 -11.368 -0.016 3.687 1.00 0.74 N ATOM 1436 CA LEU A 93 -12.771 -0.370 3.545 1.00 0.84 C ATOM 1437 C LEU A 93 -12.911 -1.869 3.306 1.00 1.05 C ATOM 1438 O LEU A 93 -13.062 -2.323 2.172 1.00 1.14 O ATOM 1439 CB LEU A 93 -13.408 0.420 2.400 1.00 0.87 C ATOM 1440 CG LEU A 93 -13.253 1.940 2.498 1.00 0.85 C ATOM 1441 CD1 LEU A 93 -13.786 2.617 1.248 1.00 1.02 C ATOM 1442 CD2 LEU A 93 -13.970 2.475 3.729 1.00 1.42 C ATOM 0 H LEU A 93 -10.947 0.383 2.848 1.00 0.74 H new ATOM 0 HA LEU A 93 -13.293 -0.115 4.467 1.00 0.84 H new ATOM 0 HB2 LEU A 93 -12.970 0.085 1.460 1.00 0.87 H new ATOM 0 HB3 LEU A 93 -14.471 0.180 2.360 1.00 0.87 H new ATOM 0 HG LEU A 93 -12.190 2.165 2.588 1.00 0.85 H new ATOM 0 HD11 LEU A 93 -13.666 3.696 1.339 1.00 1.02 H new ATOM 0 HD12 LEU A 93 -13.233 2.263 0.378 1.00 1.02 H new ATOM 0 HD13 LEU A 93 -14.843 2.379 1.128 1.00 1.02 H new ATOM 0 HD21 LEU A 93 -13.848 3.557 3.780 1.00 1.42 H new ATOM 0 HD22 LEU A 93 -15.031 2.232 3.666 1.00 1.42 H new ATOM 0 HD23 LEU A 93 -13.546 2.019 4.624 1.00 1.42 H new