USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 429 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 19 THR OG1 : rot 11:sc= 0.993 USER MOD Set 1.2: A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot 29:sc= 0.213 USER MOD Single : A 3 HIS : no HE2:sc= 0.939 K(o=0.94,f=-3.1!) USER MOD Single : A 4 HIS : no HD1:sc= 0.709 K(o=0.71,f=-3.9!) USER MOD Single : A 5 THR OG1 : rot -98:sc= 1.12 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 34:sc= 0.391 USER MOD Single : A 24 ASN : amide:sc= 0.527 K(o=0.53,f=-0.92) USER MOD Single : A 26 LYS NZ :NH3+ -120:sc= 0.203 (180deg=-0.0574) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 30:sc= 0 USER MOD Single : A 41 SER OG : rot 25:sc= 0.0536 USER MOD Single : A 43 TYR OH : rot -146:sc= 0.343 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -84:sc= 1.28 USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= -0.0382 USER MOD Single : A 63 THR OG1 : rot -67:sc= 1.29 USER MOD Single : A 67 SER OG : rot 180:sc= -0.016 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 13.682 7.591 10.935 1.00 0.00 N ATOM 21 CA THR A 2 12.840 6.520 11.445 1.00 0.00 C ATOM 22 C THR A 2 12.118 5.830 10.301 1.00 0.00 C ATOM 23 O THR A 2 11.251 6.425 9.662 1.00 0.00 O ATOM 24 CB THR A 2 11.784 7.056 12.431 1.00 0.00 C ATOM 25 OG1 THR A 2 12.398 7.932 13.390 1.00 0.00 O ATOM 26 CG2 THR A 2 11.086 5.916 13.156 1.00 0.00 C ATOM 0 HA THR A 2 13.491 5.816 11.964 1.00 0.00 H new ATOM 0 HB THR A 2 11.041 7.610 11.858 1.00 0.00 H new ATOM 0 HG1 THR A 2 13.182 8.360 12.987 1.00 0.00 H new ATOM 0 HG21 THR A 2 10.346 6.322 13.846 1.00 0.00 H new ATOM 0 HG22 THR A 2 10.590 5.272 12.430 1.00 0.00 H new ATOM 0 HG23 THR A 2 11.821 5.335 13.713 1.00 0.00 H new ATOM 34 N HIS A 3 12.470 4.587 10.039 1.00 0.00 N ATOM 35 CA HIS A 3 11.810 3.846 8.979 1.00 0.00 C ATOM 36 C HIS A 3 11.149 2.582 9.501 1.00 0.00 C ATOM 37 O HIS A 3 11.718 1.845 10.306 1.00 0.00 O ATOM 38 CB HIS A 3 12.756 3.518 7.813 1.00 0.00 C ATOM 39 CG HIS A 3 14.046 2.856 8.190 1.00 0.00 C ATOM 40 ND1 HIS A 3 15.258 3.482 8.052 1.00 0.00 N ATOM 41 CD2 HIS A 3 14.319 1.612 8.654 1.00 0.00 C ATOM 42 CE1 HIS A 3 16.222 2.661 8.413 1.00 0.00 C ATOM 43 NE2 HIS A 3 15.683 1.515 8.783 1.00 0.00 N ATOM 0 H HIS A 3 13.198 4.074 10.536 1.00 0.00 H new ATOM 0 HA HIS A 3 11.031 4.503 8.592 1.00 0.00 H new ATOM 0 HB2 HIS A 3 12.228 2.871 7.112 1.00 0.00 H new ATOM 0 HB3 HIS A 3 12.985 4.443 7.283 1.00 0.00 H new ATOM 0 HD1 HIS A 3 15.392 4.437 7.721 1.00 0.00 H new ATOM 0 HD2 HIS A 3 13.598 0.840 8.880 1.00 0.00 H new ATOM 0 HE1 HIS A 3 17.278 2.888 8.407 1.00 0.00 H new ATOM 52 N HIS A 4 9.932 2.360 9.038 1.00 0.00 N ATOM 53 CA HIS A 4 9.189 1.157 9.359 1.00 0.00 C ATOM 54 C HIS A 4 9.318 0.168 8.216 1.00 0.00 C ATOM 55 O HIS A 4 8.941 0.475 7.085 1.00 0.00 O ATOM 56 CB HIS A 4 7.711 1.476 9.591 1.00 0.00 C ATOM 57 CG HIS A 4 6.894 0.278 9.956 1.00 0.00 C ATOM 58 ND1 HIS A 4 7.257 -0.627 10.930 1.00 0.00 N ATOM 59 CD2 HIS A 4 5.738 -0.173 9.438 1.00 0.00 C ATOM 60 CE1 HIS A 4 6.353 -1.586 10.988 1.00 0.00 C ATOM 61 NE2 HIS A 4 5.418 -1.339 10.090 1.00 0.00 N ATOM 0 H HIS A 4 9.432 3.008 8.430 1.00 0.00 H new ATOM 0 HA HIS A 4 9.599 0.728 10.273 1.00 0.00 H new ATOM 0 HB2 HIS A 4 7.628 2.219 10.385 1.00 0.00 H new ATOM 0 HB3 HIS A 4 7.298 1.926 8.688 1.00 0.00 H new ATOM 0 HD2 HIS A 4 5.165 0.296 8.652 1.00 0.00 H new ATOM 0 HE1 HIS A 4 6.374 -2.432 11.659 1.00 0.00 H new ATOM 0 HE2 HIS A 4 4.597 -1.916 9.910 1.00 0.00 H new ATOM 70 N THR A 5 9.848 -1.005 8.508 1.00 0.00 N ATOM 71 CA THR A 5 10.005 -2.028 7.494 1.00 0.00 C ATOM 72 C THR A 5 9.468 -3.362 7.989 1.00 0.00 C ATOM 73 O THR A 5 9.649 -3.732 9.152 1.00 0.00 O ATOM 74 CB THR A 5 11.475 -2.204 7.086 1.00 0.00 C ATOM 75 OG1 THR A 5 12.074 -0.921 6.844 1.00 0.00 O ATOM 76 CG2 THR A 5 11.597 -3.068 5.839 1.00 0.00 C ATOM 0 H THR A 5 10.176 -1.272 9.436 1.00 0.00 H new ATOM 0 HA THR A 5 9.437 -1.701 6.623 1.00 0.00 H new ATOM 0 HB THR A 5 11.996 -2.702 7.904 1.00 0.00 H new ATOM 0 HG1 THR A 5 12.067 -0.733 5.882 1.00 0.00 H new ATOM 0 HG21 THR A 5 12.648 -3.176 5.573 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.169 -4.051 6.034 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.061 -2.596 5.016 1.00 0.00 H new ATOM 84 N GLU A 6 8.798 -4.066 7.100 1.00 0.00 N ATOM 85 CA GLU A 6 8.255 -5.385 7.393 1.00 0.00 C ATOM 86 C GLU A 6 7.992 -6.139 6.097 1.00 0.00 C ATOM 87 O GLU A 6 7.597 -5.541 5.092 1.00 0.00 O ATOM 88 CB GLU A 6 6.966 -5.286 8.227 1.00 0.00 C ATOM 89 CG GLU A 6 5.825 -4.538 7.547 1.00 0.00 C ATOM 90 CD GLU A 6 4.565 -4.505 8.392 1.00 0.00 C ATOM 91 OE1 GLU A 6 3.750 -5.448 8.300 1.00 0.00 O ATOM 92 OE2 GLU A 6 4.392 -3.543 9.169 1.00 0.00 O ATOM 0 H GLU A 6 8.612 -3.743 6.151 1.00 0.00 H new ATOM 0 HA GLU A 6 8.991 -5.933 7.982 1.00 0.00 H new ATOM 0 HB2 GLU A 6 6.628 -6.293 8.470 1.00 0.00 H new ATOM 0 HB3 GLU A 6 7.196 -4.791 9.170 1.00 0.00 H new ATOM 0 HG2 GLU A 6 6.141 -3.517 7.332 1.00 0.00 H new ATOM 0 HG3 GLU A 6 5.604 -5.011 6.590 1.00 0.00 H new ATOM 99 N VAL A 7 8.243 -7.436 6.103 1.00 0.00 N ATOM 100 CA VAL A 7 7.942 -8.262 4.948 1.00 0.00 C ATOM 101 C VAL A 7 6.590 -8.935 5.126 1.00 0.00 C ATOM 102 O VAL A 7 6.397 -9.739 6.038 1.00 0.00 O ATOM 103 CB VAL A 7 9.029 -9.328 4.700 1.00 0.00 C ATOM 104 CG1 VAL A 7 8.638 -10.249 3.553 1.00 0.00 C ATOM 105 CG2 VAL A 7 10.363 -8.664 4.408 1.00 0.00 C ATOM 0 H VAL A 7 8.653 -7.938 6.891 1.00 0.00 H new ATOM 0 HA VAL A 7 7.915 -7.608 4.077 1.00 0.00 H new ATOM 0 HB VAL A 7 9.125 -9.930 5.604 1.00 0.00 H new ATOM 0 HG11 VAL A 7 9.421 -10.991 3.399 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.702 -10.754 3.794 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.510 -9.663 2.643 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.120 -9.429 4.235 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.271 -8.037 3.521 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.657 -8.048 5.258 1.00 0.00 H new ATOM 115 N PHE A 8 5.658 -8.596 4.256 1.00 0.00 N ATOM 116 CA PHE A 8 4.322 -9.144 4.314 1.00 0.00 C ATOM 117 C PHE A 8 4.111 -10.089 3.142 1.00 0.00 C ATOM 118 O PHE A 8 3.993 -9.651 1.999 1.00 0.00 O ATOM 119 CB PHE A 8 3.295 -8.007 4.262 1.00 0.00 C ATOM 120 CG PHE A 8 1.901 -8.412 4.642 1.00 0.00 C ATOM 121 CD1 PHE A 8 1.545 -8.548 5.975 1.00 0.00 C ATOM 122 CD2 PHE A 8 0.941 -8.636 3.670 1.00 0.00 C ATOM 123 CE1 PHE A 8 0.258 -8.900 6.327 1.00 0.00 C ATOM 124 CE2 PHE A 8 -0.346 -8.993 4.019 1.00 0.00 C ATOM 125 CZ PHE A 8 -0.688 -9.124 5.349 1.00 0.00 C ATOM 0 H PHE A 8 5.807 -7.936 3.493 1.00 0.00 H new ATOM 0 HA PHE A 8 4.194 -9.695 5.246 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.622 -7.208 4.927 1.00 0.00 H new ATOM 0 HB3 PHE A 8 3.278 -7.595 3.253 1.00 0.00 H new ATOM 0 HD1 PHE A 8 2.282 -8.377 6.745 1.00 0.00 H new ATOM 0 HD2 PHE A 8 1.202 -8.530 2.627 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.008 -9.000 7.369 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.085 -9.170 3.251 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.695 -9.402 5.624 1.00 0.00 H new ATOM 135 N GLU A 9 4.103 -11.386 3.435 1.00 0.00 N ATOM 136 CA GLU A 9 3.872 -12.429 2.431 1.00 0.00 C ATOM 137 C GLU A 9 4.834 -12.328 1.236 1.00 0.00 C ATOM 138 O GLU A 9 4.580 -12.901 0.176 1.00 0.00 O ATOM 139 CB GLU A 9 2.423 -12.382 1.946 1.00 0.00 C ATOM 140 CG GLU A 9 1.411 -12.603 3.057 1.00 0.00 C ATOM 141 CD GLU A 9 1.708 -13.853 3.858 1.00 0.00 C ATOM 142 OE1 GLU A 9 1.554 -14.964 3.310 1.00 0.00 O ATOM 143 OE2 GLU A 9 2.125 -13.727 5.030 1.00 0.00 O ATOM 0 H GLU A 9 4.256 -11.748 4.376 1.00 0.00 H new ATOM 0 HA GLU A 9 4.067 -13.385 2.916 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.234 -11.415 1.479 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.280 -13.141 1.177 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.409 -11.739 3.722 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.412 -12.677 2.627 1.00 0.00 H new ATOM 150 N GLY A 10 5.944 -11.623 1.417 1.00 0.00 N ATOM 151 CA GLY A 10 6.913 -11.473 0.345 1.00 0.00 C ATOM 152 C GLY A 10 7.070 -10.032 -0.104 1.00 0.00 C ATOM 153 O GLY A 10 8.051 -9.680 -0.760 1.00 0.00 O ATOM 0 H GLY A 10 6.192 -11.152 2.287 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.879 -11.853 0.678 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.606 -12.083 -0.505 1.00 0.00 H new ATOM 157 N GLY A 11 6.103 -9.196 0.247 1.00 0.00 N ATOM 158 CA GLY A 11 6.168 -7.792 -0.099 1.00 0.00 C ATOM 159 C GLY A 11 6.739 -6.976 1.032 1.00 0.00 C ATOM 160 O GLY A 11 6.340 -7.138 2.179 1.00 0.00 O ATOM 0 H GLY A 11 5.270 -9.468 0.769 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.782 -7.663 -0.990 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.170 -7.429 -0.345 1.00 0.00 H new ATOM 164 N THR A 12 7.671 -6.102 0.719 1.00 0.00 N ATOM 165 CA THR A 12 8.352 -5.332 1.743 1.00 0.00 C ATOM 166 C THR A 12 7.708 -3.959 1.919 1.00 0.00 C ATOM 167 O THR A 12 7.563 -3.211 0.962 1.00 0.00 O ATOM 168 CB THR A 12 9.842 -5.156 1.394 1.00 0.00 C ATOM 169 OG1 THR A 12 10.411 -6.430 1.051 1.00 0.00 O ATOM 170 CG2 THR A 12 10.607 -4.556 2.564 1.00 0.00 C ATOM 0 H THR A 12 7.976 -5.905 -0.234 1.00 0.00 H new ATOM 0 HA THR A 12 8.265 -5.885 2.678 1.00 0.00 H new ATOM 0 HB THR A 12 9.919 -4.476 0.545 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.358 -6.316 0.828 1.00 0.00 H new ATOM 0 HG21 THR A 12 11.656 -4.442 2.292 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.188 -3.581 2.811 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.526 -5.215 3.428 1.00 0.00 H new ATOM 178 N ILE A 13 7.318 -3.636 3.139 1.00 0.00 N ATOM 179 CA ILE A 13 6.767 -2.321 3.428 1.00 0.00 C ATOM 180 C ILE A 13 7.855 -1.426 4.008 1.00 0.00 C ATOM 181 O ILE A 13 8.434 -1.742 5.043 1.00 0.00 O ATOM 182 CB ILE A 13 5.588 -2.407 4.422 1.00 0.00 C ATOM 183 CG1 ILE A 13 4.490 -3.316 3.866 1.00 0.00 C ATOM 184 CG2 ILE A 13 5.033 -1.018 4.714 1.00 0.00 C ATOM 185 CD1 ILE A 13 3.330 -3.529 4.816 1.00 0.00 C ATOM 0 H ILE A 13 7.371 -4.261 3.943 1.00 0.00 H new ATOM 0 HA ILE A 13 6.394 -1.900 2.494 1.00 0.00 H new ATOM 0 HB ILE A 13 5.953 -2.834 5.356 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.113 -2.887 2.938 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.925 -4.284 3.616 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.203 -1.098 5.416 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.817 -0.397 5.148 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.682 -0.564 3.787 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.594 -4.184 4.350 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.693 -3.987 5.736 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.868 -2.569 5.047 1.00 0.00 H new ATOM 197 N ASP A 14 8.133 -0.325 3.323 1.00 0.00 N ATOM 198 CA ASP A 14 9.178 0.603 3.740 1.00 0.00 C ATOM 199 C ASP A 14 8.639 2.023 3.858 1.00 0.00 C ATOM 200 O ASP A 14 8.240 2.635 2.862 1.00 0.00 O ATOM 201 CB ASP A 14 10.349 0.577 2.752 1.00 0.00 C ATOM 202 CG ASP A 14 11.399 -0.463 3.099 1.00 0.00 C ATOM 203 OD1 ASP A 14 12.098 -0.292 4.127 1.00 0.00 O ATOM 204 OD2 ASP A 14 11.559 -1.435 2.328 1.00 0.00 O ATOM 0 H ASP A 14 7.646 -0.051 2.470 1.00 0.00 H new ATOM 0 HA ASP A 14 9.530 0.283 4.721 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.967 0.379 1.751 1.00 0.00 H new ATOM 0 HB3 ASP A 14 10.816 1.561 2.726 1.00 0.00 H new ATOM 209 N ILE A 15 8.612 2.531 5.082 1.00 0.00 N ATOM 210 CA ILE A 15 8.212 3.911 5.346 1.00 0.00 C ATOM 211 C ILE A 15 9.367 4.651 6.004 1.00 0.00 C ATOM 212 O ILE A 15 9.783 4.277 7.091 1.00 0.00 O ATOM 213 CB ILE A 15 6.987 3.968 6.290 1.00 0.00 C ATOM 214 CG1 ILE A 15 5.834 3.127 5.734 1.00 0.00 C ATOM 215 CG2 ILE A 15 6.541 5.411 6.493 1.00 0.00 C ATOM 216 CD1 ILE A 15 4.652 3.014 6.674 1.00 0.00 C ATOM 0 H ILE A 15 8.865 2.004 5.918 1.00 0.00 H new ATOM 0 HA ILE A 15 7.946 4.375 4.396 1.00 0.00 H new ATOM 0 HB ILE A 15 7.279 3.553 7.255 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.498 3.564 4.794 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.203 2.127 5.507 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.679 5.435 7.159 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.356 5.985 6.934 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.269 5.846 5.531 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.876 2.404 6.211 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.972 2.548 7.606 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.256 4.008 6.882 1.00 0.00 H new ATOM 228 N GLU A 16 9.868 5.707 5.372 1.00 0.00 N ATOM 229 CA GLU A 16 11.045 6.405 5.888 1.00 0.00 C ATOM 230 C GLU A 16 10.714 7.817 6.335 1.00 0.00 C ATOM 231 O GLU A 16 10.131 8.601 5.587 1.00 0.00 O ATOM 232 CB GLU A 16 12.144 6.485 4.831 1.00 0.00 C ATOM 233 CG GLU A 16 13.439 7.130 5.326 1.00 0.00 C ATOM 234 CD GLU A 16 14.053 6.422 6.518 1.00 0.00 C ATOM 235 OE1 GLU A 16 13.697 6.760 7.667 1.00 0.00 O ATOM 236 OE2 GLU A 16 14.905 5.531 6.309 1.00 0.00 O ATOM 0 H GLU A 16 9.484 6.097 4.511 1.00 0.00 H new ATOM 0 HA GLU A 16 11.391 5.828 6.745 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.365 5.479 4.475 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.772 7.051 3.977 1.00 0.00 H new ATOM 0 HG2 GLU A 16 14.162 7.145 4.511 1.00 0.00 H new ATOM 0 HG3 GLU A 16 13.239 8.168 5.594 1.00 0.00 H new ATOM 243 N ASP A 17 11.107 8.125 7.555 1.00 0.00 N ATOM 244 CA ASP A 17 11.033 9.477 8.089 1.00 0.00 C ATOM 245 C ASP A 17 9.588 9.982 8.134 1.00 0.00 C ATOM 246 O ASP A 17 9.333 11.182 8.031 1.00 0.00 O ATOM 247 CB ASP A 17 11.912 10.406 7.245 1.00 0.00 C ATOM 248 CG ASP A 17 12.232 11.710 7.943 1.00 0.00 C ATOM 249 OD1 ASP A 17 12.558 11.680 9.149 1.00 0.00 O ATOM 250 OD2 ASP A 17 12.194 12.768 7.278 1.00 0.00 O ATOM 0 H ASP A 17 11.489 7.443 8.210 1.00 0.00 H new ATOM 0 HA ASP A 17 11.402 9.469 9.115 1.00 0.00 H new ATOM 0 HB2 ASP A 17 12.842 9.894 6.999 1.00 0.00 H new ATOM 0 HB3 ASP A 17 11.407 10.619 6.303 1.00 0.00 H new ATOM 255 N ASP A 18 8.653 9.037 8.300 1.00 0.00 N ATOM 256 CA ASP A 18 7.209 9.326 8.316 1.00 0.00 C ATOM 257 C ASP A 18 6.749 9.810 6.938 1.00 0.00 C ATOM 258 O ASP A 18 5.679 10.395 6.778 1.00 0.00 O ATOM 259 CB ASP A 18 6.862 10.350 9.407 1.00 0.00 C ATOM 260 CG ASP A 18 5.366 10.500 9.619 1.00 0.00 C ATOM 261 OD1 ASP A 18 4.695 9.482 9.892 1.00 0.00 O ATOM 262 OD2 ASP A 18 4.852 11.635 9.512 1.00 0.00 O ATOM 0 H ASP A 18 8.874 8.049 8.427 1.00 0.00 H new ATOM 0 HA ASP A 18 6.677 8.404 8.551 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.329 10.047 10.344 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.285 11.318 9.138 1.00 0.00 H new ATOM 267 N THR A 19 7.576 9.534 5.945 1.00 0.00 N ATOM 268 CA THR A 19 7.295 9.881 4.564 1.00 0.00 C ATOM 269 C THR A 19 7.748 8.739 3.665 1.00 0.00 C ATOM 270 O THR A 19 8.015 7.643 4.161 1.00 0.00 O ATOM 271 CB THR A 19 8.032 11.176 4.158 1.00 0.00 C ATOM 272 OG1 THR A 19 9.411 11.098 4.549 1.00 0.00 O ATOM 273 CG2 THR A 19 7.390 12.403 4.792 1.00 0.00 C ATOM 0 H THR A 19 8.469 9.059 6.076 1.00 0.00 H new ATOM 0 HA THR A 19 6.223 10.048 4.455 1.00 0.00 H new ATOM 0 HB THR A 19 7.962 11.275 3.075 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.620 10.183 4.829 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.933 13.297 4.486 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.352 12.480 4.467 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.424 12.312 5.878 1.00 0.00 H new ATOM 281 N SER A 20 7.829 8.993 2.362 1.00 0.00 N ATOM 282 CA SER A 20 8.394 8.033 1.415 1.00 0.00 C ATOM 283 C SER A 20 7.730 6.663 1.534 1.00 0.00 C ATOM 284 O SER A 20 8.246 5.768 2.208 1.00 0.00 O ATOM 285 CB SER A 20 9.903 7.913 1.649 1.00 0.00 C ATOM 286 OG SER A 20 10.529 9.183 1.557 1.00 0.00 O ATOM 0 H SER A 20 7.508 9.862 1.934 1.00 0.00 H new ATOM 0 HA SER A 20 8.206 8.399 0.406 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.090 7.481 2.632 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.337 7.234 0.914 1.00 0.00 H new ATOM 0 HG SER A 20 11.492 9.085 1.711 1.00 0.00 H new ATOM 292 N LEU A 21 6.585 6.496 0.892 1.00 0.00 N ATOM 293 CA LEU A 21 5.883 5.229 0.956 1.00 0.00 C ATOM 294 C LEU A 21 6.362 4.337 -0.175 1.00 0.00 C ATOM 295 O LEU A 21 6.143 4.629 -1.353 1.00 0.00 O ATOM 296 CB LEU A 21 4.365 5.452 0.863 1.00 0.00 C ATOM 297 CG LEU A 21 3.479 4.352 1.475 1.00 0.00 C ATOM 298 CD1 LEU A 21 3.700 3.005 0.798 1.00 0.00 C ATOM 299 CD2 LEU A 21 3.723 4.241 2.971 1.00 0.00 C ATOM 0 H LEU A 21 6.128 7.213 0.328 1.00 0.00 H new ATOM 0 HA LEU A 21 6.094 4.745 1.910 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.127 6.396 1.353 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.098 5.562 -0.188 1.00 0.00 H new ATOM 0 HG LEU A 21 2.441 4.638 1.307 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.056 2.256 1.259 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.460 3.087 -0.262 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.742 2.707 0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.088 3.458 3.386 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.769 3.993 3.152 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.487 5.192 3.450 1.00 0.00 H new ATOM 311 N THR A 22 7.006 3.246 0.191 1.00 0.00 N ATOM 312 CA THR A 22 7.533 2.309 -0.777 1.00 0.00 C ATOM 313 C THR A 22 7.216 0.882 -0.367 1.00 0.00 C ATOM 314 O THR A 22 7.444 0.492 0.777 1.00 0.00 O ATOM 315 CB THR A 22 9.060 2.469 -0.934 1.00 0.00 C ATOM 316 OG1 THR A 22 9.651 2.829 0.325 1.00 0.00 O ATOM 317 CG2 THR A 22 9.397 3.521 -1.980 1.00 0.00 C ATOM 0 H THR A 22 7.177 2.987 1.163 1.00 0.00 H new ATOM 0 HA THR A 22 7.057 2.524 -1.734 1.00 0.00 H new ATOM 0 HB THR A 22 9.466 1.513 -1.265 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.158 2.397 1.053 1.00 0.00 H new ATOM 0 HG21 THR A 22 10.480 3.612 -2.069 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.977 3.225 -2.942 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.976 4.480 -1.680 1.00 0.00 H new ATOM 325 N ILE A 23 6.660 0.117 -1.286 1.00 0.00 N ATOM 326 CA ILE A 23 6.407 -1.288 -1.041 1.00 0.00 C ATOM 327 C ILE A 23 7.186 -2.132 -2.037 1.00 0.00 C ATOM 328 O ILE A 23 6.843 -2.196 -3.214 1.00 0.00 O ATOM 329 CB ILE A 23 4.897 -1.628 -1.127 1.00 0.00 C ATOM 330 CG1 ILE A 23 4.121 -0.896 -0.022 1.00 0.00 C ATOM 331 CG2 ILE A 23 4.676 -3.134 -1.024 1.00 0.00 C ATOM 332 CD1 ILE A 23 2.628 -1.161 -0.040 1.00 0.00 C ATOM 0 H ILE A 23 6.375 0.445 -2.209 1.00 0.00 H new ATOM 0 HA ILE A 23 6.738 -1.513 -0.027 1.00 0.00 H new ATOM 0 HB ILE A 23 4.525 -1.293 -2.095 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.521 -1.193 0.947 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.291 0.176 -0.122 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.610 -3.350 -1.087 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.196 -3.635 -1.840 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.064 -3.494 -0.071 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.151 -0.609 0.770 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.212 -0.837 -0.994 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.446 -2.228 0.091 1.00 0.00 H new ATOM 344 N ASN A 24 8.248 -2.762 -1.544 1.00 0.00 N ATOM 345 CA ASN A 24 9.088 -3.650 -2.342 1.00 0.00 C ATOM 346 C ASN A 24 9.519 -2.977 -3.649 1.00 0.00 C ATOM 347 O ASN A 24 9.343 -3.524 -4.743 1.00 0.00 O ATOM 348 CB ASN A 24 8.341 -4.964 -2.602 1.00 0.00 C ATOM 349 CG ASN A 24 9.202 -6.027 -3.257 1.00 0.00 C ATOM 350 OD1 ASN A 24 10.425 -6.042 -3.113 1.00 0.00 O ATOM 351 ND2 ASN A 24 8.562 -6.947 -3.955 1.00 0.00 N ATOM 0 H ASN A 24 8.552 -2.671 -0.575 1.00 0.00 H new ATOM 0 HA ASN A 24 9.999 -3.873 -1.787 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.958 -5.349 -1.657 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.478 -4.763 -3.237 1.00 0.00 H new ATOM 0 HD21 ASN A 24 9.082 -7.705 -4.398 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.548 -6.900 -4.051 1.00 0.00 H new ATOM 358 N GLY A 25 10.056 -1.766 -3.525 1.00 0.00 N ATOM 359 CA GLY A 25 10.558 -1.050 -4.683 1.00 0.00 C ATOM 360 C GLY A 25 9.483 -0.267 -5.413 1.00 0.00 C ATOM 361 O GLY A 25 9.784 0.533 -6.296 1.00 0.00 O ATOM 0 H GLY A 25 10.152 -1.268 -2.640 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.345 -0.366 -4.366 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.013 -1.761 -5.373 1.00 0.00 H new ATOM 365 N LYS A 26 8.230 -0.486 -5.044 1.00 0.00 N ATOM 366 CA LYS A 26 7.118 0.173 -5.713 1.00 0.00 C ATOM 367 C LYS A 26 6.689 1.406 -4.931 1.00 0.00 C ATOM 368 O LYS A 26 6.681 1.392 -3.698 1.00 0.00 O ATOM 369 CB LYS A 26 5.928 -0.783 -5.845 1.00 0.00 C ATOM 370 CG LYS A 26 6.295 -2.157 -6.380 1.00 0.00 C ATOM 371 CD LYS A 26 6.860 -2.085 -7.786 1.00 0.00 C ATOM 372 CE LYS A 26 7.339 -3.447 -8.253 1.00 0.00 C ATOM 373 NZ LYS A 26 8.488 -3.939 -7.447 1.00 0.00 N ATOM 0 H LYS A 26 7.958 -1.113 -4.287 1.00 0.00 H new ATOM 0 HA LYS A 26 7.448 0.472 -6.708 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.458 -0.898 -4.868 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.186 -0.334 -6.505 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.027 -2.621 -5.718 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.412 -2.796 -6.376 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.097 -1.711 -8.469 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.688 -1.376 -7.813 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.518 -4.162 -8.189 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.630 -3.389 -9.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.309 -4.088 -8.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.728 -3.236 -6.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.232 -4.837 -6.990 1.00 0.00 H new ATOM 387 N GLU A 27 6.340 2.469 -5.637 1.00 0.00 N ATOM 388 CA GLU A 27 5.864 3.679 -4.989 1.00 0.00 C ATOM 389 C GLU A 27 4.341 3.672 -4.899 1.00 0.00 C ATOM 390 O GLU A 27 3.643 3.401 -5.879 1.00 0.00 O ATOM 391 CB GLU A 27 6.387 4.943 -5.694 1.00 0.00 C ATOM 392 CG GLU A 27 6.532 4.839 -7.209 1.00 0.00 C ATOM 393 CD GLU A 27 5.216 4.908 -7.959 1.00 0.00 C ATOM 394 OE1 GLU A 27 4.610 6.002 -8.010 1.00 0.00 O ATOM 395 OE2 GLU A 27 4.800 3.880 -8.533 1.00 0.00 O ATOM 0 H GLU A 27 6.377 2.518 -6.655 1.00 0.00 H new ATOM 0 HA GLU A 27 6.261 3.698 -3.974 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.713 5.769 -5.467 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.358 5.198 -5.270 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.180 5.643 -7.558 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.029 3.900 -7.453 1.00 0.00 H new ATOM 402 N ILE A 28 3.830 3.938 -3.706 1.00 0.00 N ATOM 403 CA ILE A 28 2.397 3.890 -3.468 1.00 0.00 C ATOM 404 C ILE A 28 1.871 5.269 -3.095 1.00 0.00 C ATOM 405 O ILE A 28 2.083 5.746 -1.979 1.00 0.00 O ATOM 406 CB ILE A 28 2.036 2.892 -2.347 1.00 0.00 C ATOM 407 CG1 ILE A 28 2.717 1.535 -2.577 1.00 0.00 C ATOM 408 CG2 ILE A 28 0.526 2.718 -2.265 1.00 0.00 C ATOM 409 CD1 ILE A 28 2.304 0.845 -3.861 1.00 0.00 C ATOM 0 H ILE A 28 4.387 4.189 -2.889 1.00 0.00 H new ATOM 0 HA ILE A 28 1.931 3.555 -4.394 1.00 0.00 H new ATOM 0 HB ILE A 28 2.398 3.296 -1.402 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.797 1.680 -2.586 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.490 0.880 -1.736 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.284 2.012 -1.471 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.060 3.680 -2.050 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.151 2.338 -3.215 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.829 -0.106 -3.948 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.229 0.666 -3.848 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.556 1.478 -4.712 1.00 0.00 H new ATOM 421 N SER A 29 1.200 5.908 -4.040 1.00 0.00 N ATOM 422 CA SER A 29 0.637 7.228 -3.817 1.00 0.00 C ATOM 423 C SER A 29 -0.629 7.154 -2.965 1.00 0.00 C ATOM 424 O SER A 29 -0.960 8.106 -2.256 1.00 0.00 O ATOM 425 CB SER A 29 0.320 7.885 -5.156 1.00 0.00 C ATOM 426 OG SER A 29 1.405 7.760 -6.061 1.00 0.00 O ATOM 0 H SER A 29 1.032 5.531 -4.973 1.00 0.00 H new ATOM 0 HA SER A 29 1.373 7.825 -3.279 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.570 7.427 -5.587 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.092 8.940 -5.001 1.00 0.00 H new ATOM 0 HG SER A 29 1.173 8.189 -6.911 1.00 0.00 H new ATOM 432 N TYR A 30 -1.313 6.004 -3.018 1.00 0.00 N ATOM 433 CA TYR A 30 -2.641 5.858 -2.414 1.00 0.00 C ATOM 434 C TYR A 30 -3.595 6.865 -3.045 1.00 0.00 C ATOM 435 O TYR A 30 -3.327 7.382 -4.130 1.00 0.00 O ATOM 436 CB TYR A 30 -2.603 6.072 -0.893 1.00 0.00 C ATOM 437 CG TYR A 30 -1.782 5.060 -0.128 1.00 0.00 C ATOM 438 CD1 TYR A 30 -2.282 3.795 0.145 1.00 0.00 C ATOM 439 CD2 TYR A 30 -0.512 5.376 0.335 1.00 0.00 C ATOM 440 CE1 TYR A 30 -1.540 2.870 0.855 1.00 0.00 C ATOM 441 CE2 TYR A 30 0.235 4.459 1.045 1.00 0.00 C ATOM 442 CZ TYR A 30 -0.282 3.208 1.302 1.00 0.00 C ATOM 443 OH TYR A 30 0.462 2.293 2.007 1.00 0.00 O ATOM 0 H TYR A 30 -0.967 5.160 -3.474 1.00 0.00 H new ATOM 0 HA TYR A 30 -2.985 4.841 -2.599 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -2.207 7.067 -0.691 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -3.624 6.052 -0.512 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -3.269 3.528 -0.204 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.102 6.355 0.136 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.944 1.889 1.058 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.222 4.721 1.398 1.00 0.00 H new ATOM 0 HH TYR A 30 0.227 1.387 1.717 1.00 0.00 H new ATOM 618 N SER A 41 -6.460 3.186 -3.439 1.00 0.00 N ATOM 619 CA SER A 41 -5.205 3.138 -4.147 1.00 0.00 C ATOM 620 C SER A 41 -5.427 2.722 -5.598 1.00 0.00 C ATOM 621 O SER A 41 -6.234 1.845 -5.876 1.00 0.00 O ATOM 622 CB SER A 41 -4.289 2.152 -3.438 1.00 0.00 C ATOM 623 OG SER A 41 -4.114 2.513 -2.080 1.00 0.00 O ATOM 0 HA SER A 41 -4.744 4.126 -4.154 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.710 1.149 -3.501 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.321 2.124 -3.939 1.00 0.00 H new ATOM 0 HG SER A 41 -4.886 3.037 -1.779 1.00 0.00 H new ATOM 629 N ARG A 42 -4.708 3.361 -6.515 1.00 0.00 N ATOM 630 CA ARG A 42 -4.847 3.069 -7.943 1.00 0.00 C ATOM 631 C ARG A 42 -4.560 1.598 -8.251 1.00 0.00 C ATOM 632 O ARG A 42 -5.086 1.043 -9.211 1.00 0.00 O ATOM 633 CB ARG A 42 -3.919 3.966 -8.766 1.00 0.00 C ATOM 634 CG ARG A 42 -2.456 3.868 -8.370 1.00 0.00 C ATOM 635 CD ARG A 42 -1.580 4.715 -9.275 1.00 0.00 C ATOM 636 NE ARG A 42 -1.630 4.253 -10.662 1.00 0.00 N ATOM 637 CZ ARG A 42 -1.701 5.066 -11.714 1.00 0.00 C ATOM 638 NH1 ARG A 42 -1.775 6.379 -11.535 1.00 0.00 N ATOM 639 NH2 ARG A 42 -1.705 4.568 -12.945 1.00 0.00 N ATOM 0 H ARG A 42 -4.023 4.085 -6.298 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.882 3.274 -8.218 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -4.018 3.705 -9.820 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.245 5.001 -8.662 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -2.335 4.192 -7.336 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.133 2.828 -8.418 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -1.904 5.755 -9.226 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.551 4.684 -8.918 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.609 3.248 -10.834 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.777 6.766 -10.591 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.829 7.001 -12.341 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.654 3.559 -13.087 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.760 5.194 -13.748 1.00 0.00 H new ATOM 653 N TYR A 43 -3.727 0.976 -7.428 1.00 0.00 N ATOM 654 CA TYR A 43 -3.390 -0.432 -7.596 1.00 0.00 C ATOM 655 C TYR A 43 -4.552 -1.316 -7.152 1.00 0.00 C ATOM 656 O TYR A 43 -4.792 -2.380 -7.720 1.00 0.00 O ATOM 657 CB TYR A 43 -2.128 -0.773 -6.798 1.00 0.00 C ATOM 658 CG TYR A 43 -0.910 0.021 -7.222 1.00 0.00 C ATOM 659 CD1 TYR A 43 -0.113 -0.405 -8.276 1.00 0.00 C ATOM 660 CD2 TYR A 43 -0.562 1.199 -6.571 1.00 0.00 C ATOM 661 CE1 TYR A 43 0.997 0.318 -8.671 1.00 0.00 C ATOM 662 CE2 TYR A 43 0.546 1.931 -6.964 1.00 0.00 C ATOM 663 CZ TYR A 43 1.321 1.485 -8.013 1.00 0.00 C ATOM 664 OH TYR A 43 2.422 2.209 -8.414 1.00 0.00 O ATOM 0 H TYR A 43 -3.270 1.426 -6.634 1.00 0.00 H new ATOM 0 HA TYR A 43 -3.198 -0.619 -8.652 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.318 -0.594 -5.740 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.915 -1.836 -6.908 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.365 -1.317 -8.796 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.165 1.549 -5.746 1.00 0.00 H new ATOM 0 HE1 TYR A 43 1.607 -0.030 -9.491 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.802 2.847 -6.451 1.00 0.00 H new ATOM 0 HH TYR A 43 2.841 2.627 -7.633 1.00 0.00 H new ATOM 674 N LEU A 44 -5.278 -0.858 -6.139 1.00 0.00 N ATOM 675 CA LEU A 44 -6.413 -1.595 -5.596 1.00 0.00 C ATOM 676 C LEU A 44 -7.639 -0.690 -5.517 1.00 0.00 C ATOM 677 O LEU A 44 -7.919 -0.107 -4.467 1.00 0.00 O ATOM 678 CB LEU A 44 -6.099 -2.147 -4.198 1.00 0.00 C ATOM 679 CG LEU A 44 -5.281 -3.441 -4.139 1.00 0.00 C ATOM 680 CD1 LEU A 44 -3.826 -3.198 -4.510 1.00 0.00 C ATOM 681 CD2 LEU A 44 -5.383 -4.051 -2.753 1.00 0.00 C ATOM 0 H LEU A 44 -5.098 0.031 -5.672 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.616 -2.432 -6.264 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.562 -1.379 -3.641 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.042 -2.316 -3.679 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.692 -4.138 -4.869 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.275 -4.137 -4.458 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.770 -2.801 -5.524 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.388 -2.481 -3.815 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.800 -4.971 -2.717 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.997 -3.347 -2.016 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.426 -4.274 -2.529 1.00 0.00 H new ATOM 693 N PRO A 45 -8.374 -0.543 -6.626 1.00 0.00 N ATOM 694 CA PRO A 45 -9.506 0.383 -6.701 1.00 0.00 C ATOM 695 C PRO A 45 -10.724 -0.097 -5.914 1.00 0.00 C ATOM 696 O PRO A 45 -11.047 -1.287 -5.917 1.00 0.00 O ATOM 697 CB PRO A 45 -9.820 0.433 -8.198 1.00 0.00 C ATOM 698 CG PRO A 45 -9.350 -0.876 -8.732 1.00 0.00 C ATOM 699 CD PRO A 45 -8.161 -1.268 -7.894 1.00 0.00 C ATOM 0 HA PRO A 45 -9.263 1.352 -6.265 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -10.887 0.571 -8.374 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -9.307 1.264 -8.682 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -10.137 -1.628 -8.668 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -9.075 -0.792 -9.783 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -8.119 -2.346 -7.737 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.223 -0.978 -8.369 1.00 0.00 H new ATOM 707 N TYR A 46 -11.378 0.842 -5.225 1.00 0.00 N ATOM 708 CA TYR A 46 -12.630 0.579 -4.507 1.00 0.00 C ATOM 709 C TYR A 46 -12.458 -0.470 -3.403 1.00 0.00 C ATOM 710 O TYR A 46 -13.429 -1.101 -2.976 1.00 0.00 O ATOM 711 CB TYR A 46 -13.728 0.129 -5.484 1.00 0.00 C ATOM 712 CG TYR A 46 -14.058 1.148 -6.555 1.00 0.00 C ATOM 713 CD1 TYR A 46 -14.863 2.245 -6.274 1.00 0.00 C ATOM 714 CD2 TYR A 46 -13.563 1.010 -7.845 1.00 0.00 C ATOM 715 CE1 TYR A 46 -15.165 3.175 -7.251 1.00 0.00 C ATOM 716 CE2 TYR A 46 -13.858 1.935 -8.825 1.00 0.00 C ATOM 717 CZ TYR A 46 -14.660 3.016 -8.524 1.00 0.00 C ATOM 718 OH TYR A 46 -14.959 3.936 -9.504 1.00 0.00 O ATOM 0 H TYR A 46 -11.055 1.807 -5.149 1.00 0.00 H new ATOM 0 HA TYR A 46 -12.925 1.515 -4.032 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -13.415 -0.798 -5.964 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -14.633 -0.094 -4.919 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -15.259 2.373 -5.277 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -12.936 0.164 -8.085 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -15.793 4.022 -7.018 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -13.463 1.813 -9.823 1.00 0.00 H new ATOM 0 HH TYR A 46 -14.522 3.675 -10.342 1.00 0.00 H new ATOM 728 N THR A 47 -11.237 -0.644 -2.925 1.00 0.00 N ATOM 729 CA THR A 47 -10.975 -1.608 -1.870 1.00 0.00 C ATOM 730 C THR A 47 -11.419 -1.081 -0.511 1.00 0.00 C ATOM 731 O THR A 47 -11.427 0.132 -0.272 1.00 0.00 O ATOM 732 CB THR A 47 -9.488 -1.984 -1.819 1.00 0.00 C ATOM 733 OG1 THR A 47 -8.680 -0.812 -1.978 1.00 0.00 O ATOM 734 CG2 THR A 47 -9.155 -2.993 -2.906 1.00 0.00 C ATOM 0 H THR A 47 -10.416 -0.133 -3.249 1.00 0.00 H new ATOM 0 HA THR A 47 -11.556 -2.501 -2.102 1.00 0.00 H new ATOM 0 HB THR A 47 -9.278 -2.435 -0.849 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.573 -0.615 -2.932 1.00 0.00 H new ATOM 0 HG21 THR A 47 -8.096 -3.248 -2.854 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.752 -3.893 -2.762 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.377 -2.563 -3.882 1.00 0.00 H new ATOM 742 N GLN A 48 -11.798 -1.996 0.370 1.00 0.00 N ATOM 743 CA GLN A 48 -12.248 -1.636 1.704 1.00 0.00 C ATOM 744 C GLN A 48 -11.130 -1.832 2.724 1.00 0.00 C ATOM 745 O GLN A 48 -10.517 -2.898 2.802 1.00 0.00 O ATOM 746 CB GLN A 48 -13.498 -2.444 2.085 1.00 0.00 C ATOM 747 CG GLN A 48 -13.448 -3.907 1.665 1.00 0.00 C ATOM 748 CD GLN A 48 -14.731 -4.650 1.983 1.00 0.00 C ATOM 749 OE1 GLN A 48 -15.811 -4.057 2.043 1.00 0.00 O ATOM 750 NE2 GLN A 48 -14.629 -5.956 2.161 1.00 0.00 N ATOM 0 H GLN A 48 -11.802 -2.998 0.182 1.00 0.00 H new ATOM 0 HA GLN A 48 -12.516 -0.579 1.706 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -13.635 -2.392 3.165 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -14.371 -1.977 1.630 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -13.254 -3.967 0.594 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -12.615 -4.397 2.168 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -13.717 -6.409 2.103 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -15.462 -6.511 2.356 1.00 0.00 H new ATOM 759 N TYR A 49 -10.866 -0.779 3.484 1.00 0.00 N ATOM 760 CA TYR A 49 -9.810 -0.772 4.489 1.00 0.00 C ATOM 761 C TYR A 49 -10.193 0.180 5.612 1.00 0.00 C ATOM 762 O TYR A 49 -11.194 0.891 5.504 1.00 0.00 O ATOM 763 CB TYR A 49 -8.476 -0.351 3.859 1.00 0.00 C ATOM 764 CG TYR A 49 -8.606 0.797 2.880 1.00 0.00 C ATOM 765 CD1 TYR A 49 -8.759 2.107 3.320 1.00 0.00 C ATOM 766 CD2 TYR A 49 -8.583 0.564 1.512 1.00 0.00 C ATOM 767 CE1 TYR A 49 -8.889 3.149 2.420 1.00 0.00 C ATOM 768 CE2 TYR A 49 -8.709 1.600 0.609 1.00 0.00 C ATOM 769 CZ TYR A 49 -8.863 2.890 1.067 1.00 0.00 C ATOM 770 OH TYR A 49 -8.994 3.922 0.166 1.00 0.00 O ATOM 0 H TYR A 49 -11.380 0.100 3.421 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.690 -1.777 4.895 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.783 -0.066 4.651 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.039 -1.208 3.346 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.777 2.314 4.380 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -8.464 -0.446 1.148 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -9.010 4.161 2.776 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.687 1.400 -0.452 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.953 3.567 -0.746 1.00 0.00 H new ATOM 780 N ASP A 50 -9.416 0.195 6.685 1.00 0.00 N ATOM 781 CA ASP A 50 -9.711 1.079 7.810 1.00 0.00 C ATOM 782 C ASP A 50 -8.515 1.960 8.147 1.00 0.00 C ATOM 783 O ASP A 50 -8.656 3.167 8.329 1.00 0.00 O ATOM 784 CB ASP A 50 -10.123 0.275 9.046 1.00 0.00 C ATOM 785 CG ASP A 50 -10.537 1.169 10.203 1.00 0.00 C ATOM 786 OD1 ASP A 50 -9.665 1.559 11.009 1.00 0.00 O ATOM 787 OD2 ASP A 50 -11.740 1.485 10.314 1.00 0.00 O ATOM 0 H ASP A 50 -8.586 -0.386 6.803 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.542 1.718 7.511 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.949 -0.387 8.787 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.293 -0.359 9.358 1.00 0.00 H new ATOM 792 N SER A 51 -7.341 1.351 8.224 1.00 0.00 N ATOM 793 CA SER A 51 -6.136 2.067 8.612 1.00 0.00 C ATOM 794 C SER A 51 -5.175 2.186 7.430 1.00 0.00 C ATOM 795 O SER A 51 -5.323 1.484 6.429 1.00 0.00 O ATOM 796 CB SER A 51 -5.461 1.342 9.781 1.00 0.00 C ATOM 797 OG SER A 51 -4.320 2.043 10.238 1.00 0.00 O ATOM 0 H SER A 51 -7.198 0.361 8.023 1.00 0.00 H new ATOM 0 HA SER A 51 -6.409 3.074 8.927 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.172 1.229 10.600 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.172 0.338 9.470 1.00 0.00 H new ATOM 0 HG SER A 51 -3.914 1.555 10.985 1.00 0.00 H new ATOM 803 N LEU A 52 -4.197 3.080 7.547 1.00 0.00 N ATOM 804 CA LEU A 52 -3.205 3.276 6.494 1.00 0.00 C ATOM 805 C LEU A 52 -2.230 2.104 6.453 1.00 0.00 C ATOM 806 O LEU A 52 -1.851 1.635 5.379 1.00 0.00 O ATOM 807 CB LEU A 52 -2.448 4.590 6.712 1.00 0.00 C ATOM 808 CG LEU A 52 -1.447 4.962 5.613 1.00 0.00 C ATOM 809 CD1 LEU A 52 -2.160 5.171 4.285 1.00 0.00 C ATOM 810 CD2 LEU A 52 -0.669 6.209 6.001 1.00 0.00 C ATOM 0 H LEU A 52 -4.070 3.681 8.361 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.724 3.328 5.537 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.175 5.397 6.806 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.914 4.529 7.661 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.743 4.137 5.498 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.431 5.434 3.518 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.672 4.253 3.999 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.888 5.976 4.386 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.037 6.458 5.209 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.361 7.039 6.145 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.125 6.025 6.927 1.00 0.00 H new ATOM 822 N LEU A 53 -1.834 1.630 7.629 1.00 0.00 N ATOM 823 CA LEU A 53 -0.969 0.460 7.728 1.00 0.00 C ATOM 824 C LEU A 53 -1.732 -0.766 7.227 1.00 0.00 C ATOM 825 O LEU A 53 -1.186 -1.624 6.527 1.00 0.00 O ATOM 826 CB LEU A 53 -0.515 0.275 9.187 1.00 0.00 C ATOM 827 CG LEU A 53 0.701 -0.637 9.422 1.00 0.00 C ATOM 828 CD1 LEU A 53 0.336 -2.106 9.277 1.00 0.00 C ATOM 829 CD2 LEU A 53 1.829 -0.277 8.468 1.00 0.00 C ATOM 0 H LEU A 53 -2.098 2.037 8.526 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.080 0.594 7.112 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.288 1.258 9.600 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.354 -0.124 9.757 1.00 0.00 H new ATOM 0 HG LEU A 53 1.039 -0.478 10.446 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.220 -2.719 9.450 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.433 -2.364 10.006 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.042 -2.289 8.271 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.681 -0.932 8.648 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.489 -0.399 7.440 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.127 0.759 8.631 1.00 0.00 H new ATOM 841 N ASP A 54 -3.010 -0.820 7.585 1.00 0.00 N ATOM 842 CA ASP A 54 -3.916 -1.863 7.114 1.00 0.00 C ATOM 843 C ASP A 54 -4.013 -1.840 5.591 1.00 0.00 C ATOM 844 O ASP A 54 -3.973 -2.883 4.940 1.00 0.00 O ATOM 845 CB ASP A 54 -5.298 -1.658 7.748 1.00 0.00 C ATOM 846 CG ASP A 54 -6.381 -2.528 7.144 1.00 0.00 C ATOM 847 OD1 ASP A 54 -6.208 -3.764 7.095 1.00 0.00 O ATOM 848 OD2 ASP A 54 -7.428 -1.976 6.738 1.00 0.00 O ATOM 0 H ASP A 54 -3.448 -0.143 8.210 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.528 -2.838 7.410 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.232 -1.865 8.816 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.584 -0.612 7.643 1.00 0.00 H new ATOM 853 N LEU A 55 -4.112 -0.635 5.036 1.00 0.00 N ATOM 854 CA LEU A 55 -4.187 -0.441 3.591 1.00 0.00 C ATOM 855 C LEU A 55 -2.943 -1.017 2.914 1.00 0.00 C ATOM 856 O LEU A 55 -3.044 -1.744 1.925 1.00 0.00 O ATOM 857 CB LEU A 55 -4.317 1.058 3.278 1.00 0.00 C ATOM 858 CG LEU A 55 -5.160 1.424 2.047 1.00 0.00 C ATOM 859 CD1 LEU A 55 -5.246 2.933 1.908 1.00 0.00 C ATOM 860 CD2 LEU A 55 -4.592 0.812 0.777 1.00 0.00 C ATOM 0 H LEU A 55 -4.142 0.232 5.573 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.063 -0.964 3.206 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.748 1.553 4.148 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.316 1.467 3.142 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.160 1.016 2.192 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.845 3.184 1.033 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.711 3.355 2.799 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.244 3.345 1.792 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.215 1.093 -0.072 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.577 1.177 0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.576 -0.274 0.872 1.00 0.00 H new ATOM 872 N ALA A 56 -1.777 -0.702 3.467 1.00 0.00 N ATOM 873 CA ALA A 56 -0.509 -1.176 2.921 1.00 0.00 C ATOM 874 C ALA A 56 -0.475 -2.703 2.844 1.00 0.00 C ATOM 875 O ALA A 56 -0.087 -3.277 1.825 1.00 0.00 O ATOM 876 CB ALA A 56 0.649 -0.662 3.762 1.00 0.00 C ATOM 0 H ALA A 56 -1.683 -0.117 4.297 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.411 -0.788 1.907 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.589 -1.022 3.345 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.645 0.428 3.760 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.544 -1.023 4.785 1.00 0.00 H new ATOM 882 N ARG A 57 -0.897 -3.355 3.924 1.00 0.00 N ATOM 883 CA ARG A 57 -0.943 -4.814 3.963 1.00 0.00 C ATOM 884 C ARG A 57 -1.986 -5.348 2.993 1.00 0.00 C ATOM 885 O ARG A 57 -1.769 -6.366 2.337 1.00 0.00 O ATOM 886 CB ARG A 57 -1.249 -5.314 5.375 1.00 0.00 C ATOM 887 CG ARG A 57 -0.124 -5.076 6.367 1.00 0.00 C ATOM 888 CD ARG A 57 -0.477 -5.653 7.724 1.00 0.00 C ATOM 889 NE ARG A 57 0.667 -5.703 8.628 1.00 0.00 N ATOM 890 CZ ARG A 57 0.602 -6.170 9.871 1.00 0.00 C ATOM 891 NH1 ARG A 57 -0.553 -6.624 10.356 1.00 0.00 N ATOM 892 NH2 ARG A 57 1.692 -6.199 10.621 1.00 0.00 N ATOM 0 H ARG A 57 -1.211 -2.899 4.781 1.00 0.00 H new ATOM 0 HA ARG A 57 0.039 -5.183 3.665 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -2.151 -4.821 5.738 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.464 -6.382 5.334 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.795 -5.533 5.999 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.067 -4.007 6.459 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.266 -5.052 8.176 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.877 -6.659 7.594 1.00 0.00 H new ATOM 0 HE ARG A 57 1.566 -5.361 8.288 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.390 -6.614 9.773 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.600 -6.982 11.310 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.579 -5.864 10.245 1.00 0.00 H new ATOM 0 HH22 ARG A 57 1.645 -6.557 11.575 1.00 0.00 H new ATOM 906 N ALA A 58 -3.112 -4.652 2.902 1.00 0.00 N ATOM 907 CA ALA A 58 -4.184 -5.044 1.996 1.00 0.00 C ATOM 908 C ALA A 58 -3.701 -5.045 0.552 1.00 0.00 C ATOM 909 O ALA A 58 -4.100 -5.896 -0.239 1.00 0.00 O ATOM 910 CB ALA A 58 -5.385 -4.125 2.156 1.00 0.00 C ATOM 0 H ALA A 58 -3.307 -3.811 3.446 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.490 -6.058 2.253 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.174 -4.435 1.471 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.752 -4.181 3.181 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.091 -3.100 1.931 1.00 0.00 H new ATOM 916 N ILE A 59 -2.820 -4.102 0.224 1.00 0.00 N ATOM 917 CA ILE A 59 -2.259 -4.009 -1.118 1.00 0.00 C ATOM 918 C ILE A 59 -1.466 -5.267 -1.456 1.00 0.00 C ATOM 919 O ILE A 59 -1.661 -5.865 -2.512 1.00 0.00 O ATOM 920 CB ILE A 59 -1.348 -2.770 -1.265 1.00 0.00 C ATOM 921 CG1 ILE A 59 -2.164 -1.490 -1.084 1.00 0.00 C ATOM 922 CG2 ILE A 59 -0.650 -2.770 -2.621 1.00 0.00 C ATOM 923 CD1 ILE A 59 -1.327 -0.232 -1.111 1.00 0.00 C ATOM 0 H ILE A 59 -2.480 -3.391 0.872 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.093 -3.909 -1.813 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.583 -2.811 -0.489 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.916 -1.434 -1.871 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.699 -1.541 -0.136 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.014 -1.889 -2.703 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.040 -3.668 -2.716 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.397 -2.753 -3.415 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.971 0.637 -0.977 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.592 -0.266 -0.307 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.813 -0.158 -2.069 1.00 0.00 H new ATOM 935 N ILE A 60 -0.592 -5.674 -0.550 1.00 0.00 N ATOM 936 CA ILE A 60 0.235 -6.854 -0.770 1.00 0.00 C ATOM 937 C ILE A 60 -0.610 -8.128 -0.738 1.00 0.00 C ATOM 938 O ILE A 60 -0.424 -9.037 -1.546 1.00 0.00 O ATOM 939 CB ILE A 60 1.368 -6.956 0.276 1.00 0.00 C ATOM 940 CG1 ILE A 60 2.181 -5.663 0.290 1.00 0.00 C ATOM 941 CG2 ILE A 60 2.271 -8.141 -0.038 1.00 0.00 C ATOM 942 CD1 ILE A 60 3.219 -5.610 1.390 1.00 0.00 C ATOM 0 H ILE A 60 -0.435 -5.207 0.343 1.00 0.00 H new ATOM 0 HA ILE A 60 0.685 -6.750 -1.757 1.00 0.00 H new ATOM 0 HB ILE A 60 0.926 -7.107 1.261 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.678 -5.546 -0.673 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.502 -4.818 0.402 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.065 -8.201 0.707 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.685 -9.060 -0.019 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.710 -8.012 -1.027 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.757 -4.663 1.337 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.727 -5.694 2.359 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.922 -6.434 1.267 1.00 0.00 H new ATOM 954 N ARG A 61 -1.550 -8.168 0.195 1.00 0.00 N ATOM 955 CA ARG A 61 -2.416 -9.328 0.393 1.00 0.00 C ATOM 956 C ARG A 61 -3.289 -9.604 -0.830 1.00 0.00 C ATOM 957 O ARG A 61 -3.515 -10.760 -1.195 1.00 0.00 O ATOM 958 CB ARG A 61 -3.300 -9.100 1.623 1.00 0.00 C ATOM 959 CG ARG A 61 -4.340 -10.182 1.870 1.00 0.00 C ATOM 960 CD ARG A 61 -5.171 -9.854 3.100 1.00 0.00 C ATOM 961 NE ARG A 61 -6.309 -10.759 3.280 1.00 0.00 N ATOM 962 CZ ARG A 61 -7.467 -10.390 3.825 1.00 0.00 C ATOM 963 NH1 ARG A 61 -7.626 -9.145 4.258 1.00 0.00 N ATOM 964 NH2 ARG A 61 -8.459 -11.263 3.947 1.00 0.00 N ATOM 0 H ARG A 61 -1.736 -7.398 0.838 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.780 -10.200 0.545 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.661 -9.022 2.503 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.810 -8.143 1.514 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.990 -10.275 1.000 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.847 -11.145 2.004 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.535 -9.899 3.984 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.537 -8.830 3.022 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.209 -11.726 2.971 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.863 -8.474 4.173 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.512 -8.860 4.676 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.337 -12.222 3.623 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.344 -10.975 4.365 1.00 0.00 H new ATOM 978 N ASP A 62 -3.763 -8.540 -1.465 1.00 0.00 N ATOM 979 CA ASP A 62 -4.736 -8.664 -2.549 1.00 0.00 C ATOM 980 C ASP A 62 -4.050 -8.802 -3.912 1.00 0.00 C ATOM 981 O ASP A 62 -4.709 -8.966 -4.940 1.00 0.00 O ATOM 982 CB ASP A 62 -5.672 -7.449 -2.537 1.00 0.00 C ATOM 983 CG ASP A 62 -6.905 -7.630 -3.401 1.00 0.00 C ATOM 984 OD1 ASP A 62 -7.810 -8.391 -3.000 1.00 0.00 O ATOM 985 OD2 ASP A 62 -6.988 -7.001 -4.477 1.00 0.00 O ATOM 0 H ASP A 62 -3.491 -7.581 -1.250 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.317 -9.572 -2.387 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.982 -7.249 -1.511 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.122 -6.573 -2.880 1.00 0.00 H new ATOM 990 N THR A 63 -2.728 -8.754 -3.920 1.00 0.00 N ATOM 991 CA THR A 63 -1.977 -8.859 -5.164 1.00 0.00 C ATOM 992 C THR A 63 -1.111 -10.116 -5.180 1.00 0.00 C ATOM 993 O THR A 63 -1.196 -10.954 -4.280 1.00 0.00 O ATOM 994 CB THR A 63 -1.098 -7.615 -5.400 1.00 0.00 C ATOM 995 OG1 THR A 63 -0.303 -7.347 -4.240 1.00 0.00 O ATOM 996 CG2 THR A 63 -1.954 -6.399 -5.737 1.00 0.00 C ATOM 0 H THR A 63 -2.153 -8.644 -3.085 1.00 0.00 H new ATOM 0 HA THR A 63 -2.705 -8.924 -5.972 1.00 0.00 H new ATOM 0 HB THR A 63 -0.441 -7.817 -6.246 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.885 -7.074 -3.500 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.310 -5.534 -5.899 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.529 -6.598 -6.642 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.636 -6.194 -4.912 1.00 0.00 H new ATOM 1004 N VAL A 64 -0.300 -10.256 -6.223 1.00 0.00 N ATOM 1005 CA VAL A 64 0.548 -11.430 -6.376 1.00 0.00 C ATOM 1006 C VAL A 64 1.994 -11.037 -6.662 1.00 0.00 C ATOM 1007 O VAL A 64 2.918 -11.491 -5.986 1.00 0.00 O ATOM 1008 CB VAL A 64 0.039 -12.351 -7.507 1.00 0.00 C ATOM 1009 CG1 VAL A 64 0.941 -13.568 -7.670 1.00 0.00 C ATOM 1010 CG2 VAL A 64 -1.396 -12.783 -7.244 1.00 0.00 C ATOM 0 H VAL A 64 -0.213 -9.571 -6.974 1.00 0.00 H new ATOM 0 HA VAL A 64 0.506 -11.972 -5.431 1.00 0.00 H new ATOM 0 HB VAL A 64 0.064 -11.784 -8.437 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.559 -14.199 -8.473 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.952 -13.242 -7.915 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.958 -14.135 -6.739 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.735 -13.431 -8.052 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.446 -13.325 -6.300 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.037 -11.903 -7.191 1.00 0.00 H new ATOM 1020 N GLU A 65 2.189 -10.169 -7.649 1.00 0.00 N ATOM 1021 CA GLU A 65 3.534 -9.827 -8.102 1.00 0.00 C ATOM 1022 C GLU A 65 4.146 -8.704 -7.271 1.00 0.00 C ATOM 1023 O GLU A 65 5.114 -8.072 -7.688 1.00 0.00 O ATOM 1024 CB GLU A 65 3.522 -9.443 -9.582 1.00 0.00 C ATOM 1025 CG GLU A 65 3.111 -10.585 -10.498 1.00 0.00 C ATOM 1026 CD GLU A 65 3.283 -10.255 -11.966 1.00 0.00 C ATOM 1027 OE1 GLU A 65 2.402 -9.574 -12.534 1.00 0.00 O ATOM 1028 OE2 GLU A 65 4.297 -10.684 -12.560 1.00 0.00 O ATOM 0 H GLU A 65 1.439 -9.692 -8.148 1.00 0.00 H new ATOM 0 HA GLU A 65 4.155 -10.713 -7.969 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.839 -8.606 -9.727 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.515 -9.097 -9.868 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.703 -11.468 -10.258 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.068 -10.839 -10.308 1.00 0.00 H new ATOM 1035 N PHE A 66 3.591 -8.467 -6.092 1.00 0.00 N ATOM 1036 CA PHE A 66 4.168 -7.503 -5.164 1.00 0.00 C ATOM 1037 C PHE A 66 5.199 -8.175 -4.265 1.00 0.00 C ATOM 1038 O PHE A 66 5.857 -7.522 -3.457 1.00 0.00 O ATOM 1039 CB PHE A 66 3.082 -6.820 -4.326 1.00 0.00 C ATOM 1040 CG PHE A 66 2.534 -5.573 -4.962 1.00 0.00 C ATOM 1041 CD1 PHE A 66 1.686 -5.645 -6.055 1.00 0.00 C ATOM 1042 CD2 PHE A 66 2.876 -4.323 -4.467 1.00 0.00 C ATOM 1043 CE1 PHE A 66 1.188 -4.497 -6.642 1.00 0.00 C ATOM 1044 CE2 PHE A 66 2.381 -3.171 -5.050 1.00 0.00 C ATOM 1045 CZ PHE A 66 1.536 -3.258 -6.140 1.00 0.00 C ATOM 0 H PHE A 66 2.745 -8.926 -5.755 1.00 0.00 H new ATOM 0 HA PHE A 66 4.670 -6.733 -5.750 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.266 -7.523 -4.160 1.00 0.00 H new ATOM 0 HB3 PHE A 66 3.492 -6.570 -3.347 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.411 -6.610 -6.453 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.537 -4.249 -3.616 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.527 -4.569 -7.493 1.00 0.00 H new ATOM 0 HE2 PHE A 66 2.654 -2.204 -4.654 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.149 -2.360 -6.598 1.00 0.00 H new ATOM 1055 N SER A 67 5.341 -9.485 -4.425 1.00 0.00 N ATOM 1056 CA SER A 67 6.362 -10.238 -3.716 1.00 0.00 C ATOM 1057 C SER A 67 7.729 -9.967 -4.345 1.00 0.00 C ATOM 1058 O SER A 67 7.816 -9.585 -5.516 1.00 0.00 O ATOM 1059 CB SER A 67 6.034 -11.735 -3.764 1.00 0.00 C ATOM 1060 OG SER A 67 6.938 -12.497 -2.978 1.00 0.00 O ATOM 0 H SER A 67 4.757 -10.048 -5.043 1.00 0.00 H new ATOM 0 HA SER A 67 6.387 -9.923 -2.673 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.017 -11.896 -3.407 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.068 -12.082 -4.797 1.00 0.00 H new ATOM 0 HG SER A 67 6.698 -13.446 -3.031 1.00 0.00 H new