USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 607 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 15 MET CE :methyl -142:sc= -0.0246 (180deg=0) USER MOD Set 1.2: A 65 LYS NZ :NH3+ -171:sc= -4.77! (180deg=-4.91!) USER MOD Set 2.1: A 13 ASN : amide:sc= -3.78! C(o=-3.1!,f=-11!) USER MOD Set 2.2: A 14 THR OG1 : rot 52:sc= 0.671 USER MOD Set 3.1: A 9 THR OG1 : rot -173:sc= 0.306 USER MOD Set 3.2: A 11 ASN : amide:sc= 0.00344 K(o=0.31,f=-1.6) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 16 LYS NZ :NH3+ 160:sc= -0.212 (180deg=-0.832) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -11:sc= 0.972 USER MOD Single : A 29 THR OG1 : rot -21:sc= 0.579 USER MOD Single : A 30 THR OG1 : rot 81:sc= 1.14 USER MOD Single : A 31 TYR OH : rot 30:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 38 GLN : amide:sc= -0.395 X(o=-0.39,f=-0.66) USER MOD Single : A 43 ASN : amide:sc= -3.06! K(o=-3.1!,f=-3.6) USER MOD Single : A 52 LYS NZ :NH3+ -161:sc= -0.0791 (180deg=-0.758) USER MOD Single : A 53 SER OG : rot 104:sc= 0.625 USER MOD Single : A 56 TYR OH : rot 176:sc= 0.801 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.789 X(o=-0.79,f=-1.3) USER MOD Single : A 70 ASN : amide:sc= -6.04! K(o=-6!,f=-2.1) USER MOD Single : A 72 ASN : amide:sc= -2.19! K(o=-2.2!,f=-0.3) USER MOD Single : A 77 GLN : amide:sc= -6.06! C(o=-6.1!,f=-5.3!) USER MOD Single : A 80 ASN : amide:sc= -1.74 K(o=-1.7,f=-0.28) USER MOD Single : A 81 THR OG1 : rot 150:sc= -2.58! USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 3.046 2.253 -1.391 1.00 1.00 N ATOM 21 CA GLU A 2 3.843 3.367 -1.912 1.00 1.00 C ATOM 22 C GLU A 2 4.549 4.097 -0.778 1.00 1.00 C ATOM 23 O GLU A 2 4.055 4.127 0.350 1.00 1.00 O ATOM 24 CB GLU A 2 2.937 4.345 -2.673 1.00 1.00 C ATOM 25 CG GLU A 2 1.784 4.792 -1.769 1.00 1.00 C ATOM 26 CD GLU A 2 0.860 5.741 -2.522 1.00 1.00 C ATOM 27 OE1 GLU A 2 1.367 6.569 -3.261 1.00 1.00 O ATOM 28 OE2 GLU A 2 -0.343 5.629 -2.348 1.00 1.00 O ATOM 0 HA GLU A 2 4.596 2.967 -2.591 1.00 1.00 H new ATOM 0 HB2 GLU A 2 3.513 5.211 -2.999 1.00 1.00 H new ATOM 0 HB3 GLU A 2 2.544 3.868 -3.571 1.00 1.00 H new ATOM 0 HG2 GLU A 2 1.223 3.922 -1.427 1.00 1.00 H new ATOM 0 HG3 GLU A 2 2.179 5.286 -0.881 1.00 1.00 H new ATOM 35 N ILE A 3 5.715 4.668 -1.073 1.00 1.00 N ATOM 36 CA ILE A 3 6.485 5.373 -0.056 1.00 1.00 C ATOM 37 C ILE A 3 5.618 6.389 0.683 1.00 1.00 C ATOM 38 O ILE A 3 5.072 7.317 0.092 1.00 1.00 O ATOM 39 CB ILE A 3 7.670 6.096 -0.720 1.00 1.00 C ATOM 40 CG1 ILE A 3 8.521 6.791 0.356 1.00 1.00 C ATOM 41 CG2 ILE A 3 7.160 7.140 -1.743 1.00 1.00 C ATOM 42 CD1 ILE A 3 9.819 7.312 -0.268 1.00 1.00 C ATOM 0 H ILE A 3 6.142 4.656 -1.999 1.00 1.00 H new ATOM 0 HA ILE A 3 6.850 4.643 0.666 1.00 1.00 H new ATOM 0 HB ILE A 3 8.281 5.362 -1.246 1.00 1.00 H new ATOM 0 HG12 ILE A 3 7.962 7.616 0.798 1.00 1.00 H new ATOM 0 HG13 ILE A 3 8.748 6.092 1.161 1.00 1.00 H new ATOM 0 HG21 ILE A 3 8.010 7.643 -2.204 1.00 1.00 H new ATOM 0 HG22 ILE A 3 6.574 6.639 -2.513 1.00 1.00 H new ATOM 0 HG23 ILE A 3 6.537 7.875 -1.233 1.00 1.00 H new ATOM 0 HD11 ILE A 3 10.419 7.804 0.498 1.00 1.00 H new ATOM 0 HD12 ILE A 3 10.381 6.478 -0.689 1.00 1.00 H new ATOM 0 HD13 ILE A 3 9.582 8.026 -1.057 1.00 1.00 H new ATOM 54 N ILE A 4 5.480 6.185 1.989 1.00 1.00 N ATOM 55 CA ILE A 4 4.663 7.080 2.821 1.00 1.00 C ATOM 56 C ILE A 4 5.527 8.182 3.411 1.00 1.00 C ATOM 57 O ILE A 4 5.177 9.360 3.347 1.00 1.00 O ATOM 58 CB ILE A 4 3.989 6.292 3.947 1.00 1.00 C ATOM 59 CG1 ILE A 4 3.163 5.127 3.351 1.00 1.00 C ATOM 60 CG2 ILE A 4 3.078 7.225 4.760 1.00 1.00 C ATOM 61 CD1 ILE A 4 2.096 5.625 2.357 1.00 1.00 C ATOM 0 H ILE A 4 5.917 5.416 2.497 1.00 1.00 H new ATOM 0 HA ILE A 4 3.893 7.528 2.193 1.00 1.00 H new ATOM 0 HB ILE A 4 4.754 5.881 4.606 1.00 1.00 H new ATOM 0 HG12 ILE A 4 3.832 4.430 2.846 1.00 1.00 H new ATOM 0 HG13 ILE A 4 2.678 4.577 4.157 1.00 1.00 H new ATOM 0 HG21 ILE A 4 2.600 6.660 5.560 1.00 1.00 H new ATOM 0 HG22 ILE A 4 3.673 8.031 5.190 1.00 1.00 H new ATOM 0 HG23 ILE A 4 2.314 7.647 4.107 1.00 1.00 H new ATOM 0 HD11 ILE A 4 1.540 4.774 1.963 1.00 1.00 H new ATOM 0 HD12 ILE A 4 1.411 6.301 2.868 1.00 1.00 H new ATOM 0 HD13 ILE A 4 2.582 6.152 1.536 1.00 1.00 H new ATOM 73 N ALA A 5 6.661 7.794 3.985 1.00 1.00 N ATOM 74 CA ALA A 5 7.577 8.755 4.590 1.00 1.00 C ATOM 75 C ALA A 5 8.970 8.158 4.695 1.00 1.00 C ATOM 76 O ALA A 5 9.192 7.008 4.316 1.00 1.00 O ATOM 77 CB ALA A 5 7.076 9.150 5.980 1.00 1.00 C ATOM 0 H ALA A 5 6.968 6.823 4.044 1.00 1.00 H new ATOM 0 HA ALA A 5 7.620 9.643 3.959 1.00 1.00 H new ATOM 0 HB1 ALA A 5 7.765 9.868 6.425 1.00 1.00 H new ATOM 0 HB2 ALA A 5 6.087 9.601 5.896 1.00 1.00 H new ATOM 0 HB3 ALA A 5 7.018 8.263 6.611 1.00 1.00 H new ATOM 83 N ILE A 6 9.907 8.951 5.210 1.00 1.00 N ATOM 84 CA ILE A 6 11.296 8.515 5.371 1.00 1.00 C ATOM 85 C ILE A 6 11.797 8.857 6.765 1.00 1.00 C ATOM 86 O ILE A 6 11.561 9.956 7.266 1.00 1.00 O ATOM 87 CB ILE A 6 12.179 9.200 4.318 1.00 1.00 C ATOM 88 CG1 ILE A 6 13.627 8.702 4.458 1.00 1.00 C ATOM 89 CG2 ILE A 6 12.132 10.724 4.508 1.00 1.00 C ATOM 90 CD1 ILE A 6 14.456 9.170 3.259 1.00 1.00 C ATOM 0 H ILE A 6 9.730 9.905 5.525 1.00 1.00 H new ATOM 0 HA ILE A 6 11.345 7.435 5.236 1.00 1.00 H new ATOM 0 HB ILE A 6 11.808 8.955 3.323 1.00 1.00 H new ATOM 0 HG12 ILE A 6 14.063 9.080 5.383 1.00 1.00 H new ATOM 0 HG13 ILE A 6 13.642 7.614 4.520 1.00 1.00 H new ATOM 0 HG21 ILE A 6 12.761 11.204 3.758 1.00 1.00 H new ATOM 0 HG22 ILE A 6 11.105 11.073 4.398 1.00 1.00 H new ATOM 0 HG23 ILE A 6 12.497 10.978 5.503 1.00 1.00 H new ATOM 0 HD11 ILE A 6 15.481 8.814 3.364 1.00 1.00 H new ATOM 0 HD12 ILE A 6 14.025 8.770 2.341 1.00 1.00 H new ATOM 0 HD13 ILE A 6 14.453 10.259 3.217 1.00 1.00 H new ATOM 102 N SER A 7 12.486 7.903 7.392 1.00 1.00 N ATOM 103 CA SER A 7 13.028 8.104 8.740 1.00 1.00 C ATOM 104 C SER A 7 14.516 8.430 8.662 1.00 1.00 C ATOM 105 O SER A 7 15.330 7.573 8.323 1.00 1.00 O ATOM 106 CB SER A 7 12.814 6.834 9.580 1.00 1.00 C ATOM 107 OG SER A 7 12.862 7.173 10.960 1.00 1.00 O ATOM 0 H SER A 7 12.683 6.986 6.991 1.00 1.00 H new ATOM 0 HA SER A 7 12.508 8.938 9.212 1.00 1.00 H new ATOM 0 HB2 SER A 7 11.853 6.381 9.338 1.00 1.00 H new ATOM 0 HB3 SER A 7 13.582 6.096 9.348 1.00 1.00 H new ATOM 0 HG SER A 7 12.724 6.367 11.500 1.00 1.00 H new ATOM 113 N GLU A 8 14.867 9.668 8.998 1.00 1.00 N ATOM 114 CA GLU A 8 16.267 10.087 8.983 1.00 1.00 C ATOM 115 C GLU A 8 16.922 9.619 10.268 1.00 1.00 C ATOM 116 O GLU A 8 16.602 10.111 11.351 1.00 1.00 O ATOM 117 CB GLU A 8 16.357 11.610 8.875 1.00 1.00 C ATOM 118 CG GLU A 8 15.836 12.052 7.505 1.00 1.00 C ATOM 119 CD GLU A 8 15.862 13.574 7.389 1.00 1.00 C ATOM 120 OE1 GLU A 8 16.251 14.221 8.349 1.00 1.00 O ATOM 121 OE2 GLU A 8 15.492 14.070 6.337 1.00 1.00 O ATOM 0 H GLU A 8 14.209 10.394 9.282 1.00 1.00 H new ATOM 0 HA GLU A 8 16.777 9.650 8.124 1.00 1.00 H new ATOM 0 HB2 GLU A 8 15.772 12.077 9.667 1.00 1.00 H new ATOM 0 HB3 GLU A 8 17.389 11.935 9.006 1.00 1.00 H new ATOM 0 HG2 GLU A 8 16.447 11.611 6.717 1.00 1.00 H new ATOM 0 HG3 GLU A 8 14.819 11.688 7.361 1.00 1.00 H new ATOM 128 N THR A 9 17.821 8.645 10.161 1.00 1.00 N ATOM 129 CA THR A 9 18.490 8.092 11.339 1.00 1.00 C ATOM 130 C THR A 9 19.742 8.912 11.672 1.00 1.00 C ATOM 131 O THR A 9 20.084 9.846 10.942 1.00 1.00 O ATOM 132 CB THR A 9 18.880 6.601 11.091 1.00 1.00 C ATOM 133 OG1 THR A 9 20.288 6.491 10.901 1.00 1.00 O ATOM 134 CG2 THR A 9 18.178 6.054 9.839 1.00 1.00 C ATOM 0 H THR A 9 18.103 8.223 9.277 1.00 1.00 H new ATOM 0 HA THR A 9 17.802 8.140 12.183 1.00 1.00 H new ATOM 0 HB THR A 9 18.570 6.025 11.963 1.00 1.00 H new ATOM 0 HG1 THR A 9 20.511 5.576 10.631 1.00 1.00 H new ATOM 0 HG21 THR A 9 18.465 5.014 9.686 1.00 1.00 H new ATOM 0 HG22 THR A 9 17.098 6.117 9.971 1.00 1.00 H new ATOM 0 HG23 THR A 9 18.472 6.643 8.970 1.00 1.00 H new ATOM 142 N PRO A 10 20.440 8.579 12.736 1.00 1.00 N ATOM 143 CA PRO A 10 21.683 9.310 13.128 1.00 1.00 C ATOM 144 C PRO A 10 22.795 9.162 12.086 1.00 1.00 C ATOM 145 O PRO A 10 23.928 9.579 12.326 1.00 1.00 O ATOM 146 CB PRO A 10 22.097 8.662 14.478 1.00 1.00 C ATOM 147 CG PRO A 10 20.870 7.940 14.955 1.00 1.00 C ATOM 148 CD PRO A 10 20.139 7.492 13.689 1.00 1.00 C ATOM 0 HA PRO A 10 21.511 10.383 13.207 1.00 1.00 H new ATOM 0 HB2 PRO A 10 22.933 7.975 14.346 1.00 1.00 H new ATOM 0 HB3 PRO A 10 22.415 9.417 15.197 1.00 1.00 H new ATOM 0 HG2 PRO A 10 21.135 7.086 15.578 1.00 1.00 H new ATOM 0 HG3 PRO A 10 20.241 8.593 15.560 1.00 1.00 H new ATOM 0 HD2 PRO A 10 20.502 6.528 13.332 1.00 1.00 H new ATOM 0 HD3 PRO A 10 19.067 7.386 13.857 1.00 1.00 H new ATOM 156 N ASN A 11 22.475 8.570 10.935 1.00 1.00 N ATOM 157 CA ASN A 11 23.465 8.376 9.870 1.00 1.00 C ATOM 158 C ASN A 11 23.416 9.536 8.888 1.00 1.00 C ATOM 159 O ASN A 11 22.528 10.384 8.964 1.00 1.00 O ATOM 160 CB ASN A 11 23.170 7.075 9.132 1.00 1.00 C ATOM 161 CG ASN A 11 23.238 5.897 10.098 1.00 1.00 C ATOM 162 OD1 ASN A 11 22.383 5.012 10.059 1.00 1.00 O ATOM 163 ND2 ASN A 11 24.209 5.831 10.966 1.00 1.00 N ATOM 0 H ASN A 11 21.544 8.217 10.715 1.00 1.00 H new ATOM 0 HA ASN A 11 24.459 8.330 10.316 1.00 1.00 H new ATOM 0 HB2 ASN A 11 22.182 7.123 8.675 1.00 1.00 H new ATOM 0 HB3 ASN A 11 23.889 6.935 8.324 1.00 1.00 H new ATOM 0 HD21 ASN A 11 24.261 5.045 11.614 1.00 1.00 H new ATOM 0 HD22 ASN A 11 24.916 6.565 10.997 1.00 1.00 H new ATOM 170 N HIS A 12 24.382 9.569 7.967 1.00 1.00 N ATOM 171 CA HIS A 12 24.464 10.636 6.959 1.00 1.00 C ATOM 172 C HIS A 12 24.169 10.103 5.561 1.00 1.00 C ATOM 173 O HIS A 12 23.538 10.785 4.755 1.00 1.00 O ATOM 174 CB HIS A 12 25.867 11.240 6.985 1.00 1.00 C ATOM 175 CG HIS A 12 26.107 11.875 8.327 1.00 1.00 C ATOM 176 ND1 HIS A 12 26.597 11.158 9.407 1.00 1.00 N ATOM 177 CD2 HIS A 12 25.921 13.157 8.780 1.00 1.00 C ATOM 178 CE1 HIS A 12 26.688 12.005 10.448 1.00 1.00 C ATOM 179 NE2 HIS A 12 26.288 13.238 10.119 1.00 1.00 N ATOM 0 H HIS A 12 25.121 8.869 7.896 1.00 1.00 H new ATOM 0 HA HIS A 12 23.718 11.394 7.198 1.00 1.00 H new ATOM 0 HB2 HIS A 12 26.612 10.467 6.796 1.00 1.00 H new ATOM 0 HB3 HIS A 12 25.971 11.983 6.194 1.00 1.00 H new ATOM 0 HD2 HIS A 12 25.547 13.978 8.187 1.00 1.00 H new ATOM 0 HE1 HIS A 12 27.041 11.724 11.429 1.00 1.00 H new ATOM 0 HE2 HIS A 12 26.258 14.061 10.721 1.00 1.00 H new ATOM 188 N ASN A 13 24.647 8.887 5.272 1.00 1.00 N ATOM 189 CA ASN A 13 24.451 8.265 3.950 1.00 1.00 C ATOM 190 C ASN A 13 23.491 7.079 4.018 1.00 1.00 C ATOM 191 O ASN A 13 23.177 6.477 2.991 1.00 1.00 O ATOM 192 CB ASN A 13 25.798 7.793 3.409 1.00 1.00 C ATOM 193 CG ASN A 13 26.395 6.739 4.341 1.00 1.00 C ATOM 194 OD1 ASN A 13 25.722 6.264 5.255 1.00 1.00 O ATOM 195 ND2 ASN A 13 27.626 6.340 4.162 1.00 1.00 N ATOM 0 H ASN A 13 25.172 8.312 5.932 1.00 1.00 H new ATOM 0 HA ASN A 13 24.015 9.013 3.288 1.00 1.00 H new ATOM 0 HB2 ASN A 13 25.672 7.377 2.409 1.00 1.00 H new ATOM 0 HB3 ASN A 13 26.480 8.639 3.319 1.00 1.00 H new ATOM 0 HD21 ASN A 13 28.029 5.635 4.780 1.00 1.00 H new ATOM 0 HD22 ASN A 13 28.185 6.733 3.405 1.00 1.00 H new ATOM 202 N THR A 14 23.020 6.752 5.226 1.00 1.00 N ATOM 203 CA THR A 14 22.079 5.637 5.422 1.00 1.00 C ATOM 204 C THR A 14 20.739 6.184 5.887 1.00 1.00 C ATOM 205 O THR A 14 20.675 6.991 6.815 1.00 1.00 O ATOM 206 CB THR A 14 22.623 4.652 6.469 1.00 1.00 C ATOM 207 OG1 THR A 14 23.948 4.279 6.119 1.00 1.00 O ATOM 208 CG2 THR A 14 21.739 3.400 6.518 1.00 1.00 C ATOM 0 H THR A 14 23.273 7.242 6.084 1.00 1.00 H new ATOM 0 HA THR A 14 21.955 5.109 4.476 1.00 1.00 H new ATOM 0 HB THR A 14 22.620 5.131 7.448 1.00 1.00 H new ATOM 0 HG1 THR A 14 24.483 5.084 5.960 1.00 1.00 H new ATOM 0 HG21 THR A 14 22.131 2.707 7.262 1.00 1.00 H new ATOM 0 HG22 THR A 14 20.721 3.683 6.787 1.00 1.00 H new ATOM 0 HG23 THR A 14 21.735 2.919 5.540 1.00 1.00 H new ATOM 216 N MET A 15 19.669 5.743 5.233 1.00 1.00 N ATOM 217 CA MET A 15 18.316 6.189 5.570 1.00 1.00 C ATOM 218 C MET A 15 17.343 5.031 5.428 1.00 1.00 C ATOM 219 O MET A 15 17.563 4.119 4.632 1.00 1.00 O ATOM 220 CB MET A 15 17.899 7.328 4.635 1.00 1.00 C ATOM 221 CG MET A 15 17.907 6.837 3.180 1.00 1.00 C ATOM 222 SD MET A 15 17.788 8.255 2.062 1.00 1.00 S ATOM 223 CE MET A 15 17.108 7.370 0.637 1.00 1.00 C ATOM 0 H MET A 15 19.710 5.075 4.463 1.00 1.00 H new ATOM 0 HA MET A 15 18.303 6.545 6.600 1.00 1.00 H new ATOM 0 HB2 MET A 15 16.904 7.684 4.903 1.00 1.00 H new ATOM 0 HB3 MET A 15 18.581 8.171 4.748 1.00 1.00 H new ATOM 0 HG2 MET A 15 18.821 6.278 2.979 1.00 1.00 H new ATOM 0 HG3 MET A 15 17.073 6.156 3.010 1.00 1.00 H new ATOM 0 HE1 MET A 15 17.543 7.768 -0.280 1.00 1.00 H new ATOM 0 HE2 MET A 15 17.345 6.309 0.721 1.00 1.00 H new ATOM 0 HE3 MET A 15 16.026 7.499 0.611 1.00 1.00 H new ATOM 233 N LYS A 16 16.265 5.079 6.209 1.00 1.00 N ATOM 234 CA LYS A 16 15.234 4.033 6.188 1.00 1.00 C ATOM 235 C LYS A 16 13.927 4.603 5.657 1.00 1.00 C ATOM 236 O LYS A 16 13.531 5.713 6.012 1.00 1.00 O ATOM 237 CB LYS A 16 15.021 3.481 7.611 1.00 1.00 C ATOM 238 CG LYS A 16 14.260 2.144 7.559 1.00 1.00 C ATOM 239 CD LYS A 16 14.216 1.506 8.956 1.00 1.00 C ATOM 240 CE LYS A 16 13.428 2.389 9.943 1.00 1.00 C ATOM 241 NZ LYS A 16 12.196 2.915 9.287 1.00 1.00 N ATOM 0 H LYS A 16 16.079 5.834 6.869 1.00 1.00 H new ATOM 0 HA LYS A 16 15.562 3.224 5.535 1.00 1.00 H new ATOM 0 HB2 LYS A 16 15.984 3.340 8.101 1.00 1.00 H new ATOM 0 HB3 LYS A 16 14.462 4.202 8.208 1.00 1.00 H new ATOM 0 HG2 LYS A 16 13.246 2.308 7.194 1.00 1.00 H new ATOM 0 HG3 LYS A 16 14.746 1.467 6.857 1.00 1.00 H new ATOM 0 HD2 LYS A 16 13.754 0.521 8.895 1.00 1.00 H new ATOM 0 HD3 LYS A 16 15.231 1.359 9.325 1.00 1.00 H new ATOM 0 HE2 LYS A 16 13.160 1.810 10.827 1.00 1.00 H new ATOM 0 HE3 LYS A 16 14.052 3.217 10.281 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 11.515 3.212 10.015 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 12.442 3.730 8.690 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 11.771 2.170 8.698 1.00 1.00 H new ATOM 255 N VAL A 17 13.252 3.826 4.813 1.00 1.00 N ATOM 256 CA VAL A 17 11.973 4.243 4.238 1.00 1.00 C ATOM 257 C VAL A 17 10.832 3.573 4.996 1.00 1.00 C ATOM 258 O VAL A 17 10.821 2.354 5.158 1.00 1.00 O ATOM 259 CB VAL A 17 11.918 3.850 2.757 1.00 1.00 C ATOM 260 CG1 VAL A 17 10.721 4.534 2.077 1.00 1.00 C ATOM 261 CG2 VAL A 17 13.203 4.300 2.063 1.00 1.00 C ATOM 0 H VAL A 17 13.568 2.904 4.511 1.00 1.00 H new ATOM 0 HA VAL A 17 11.874 5.325 4.322 1.00 1.00 H new ATOM 0 HB VAL A 17 11.811 2.768 2.682 1.00 1.00 H new ATOM 0 HG11 VAL A 17 10.689 4.250 1.025 1.00 1.00 H new ATOM 0 HG12 VAL A 17 9.798 4.222 2.566 1.00 1.00 H new ATOM 0 HG13 VAL A 17 10.826 5.616 2.157 1.00 1.00 H new ATOM 0 HG21 VAL A 17 13.165 4.021 1.010 1.00 1.00 H new ATOM 0 HG22 VAL A 17 13.303 5.382 2.148 1.00 1.00 H new ATOM 0 HG23 VAL A 17 14.059 3.818 2.535 1.00 1.00 H new ATOM 271 N SER A 18 9.874 4.374 5.459 1.00 1.00 N ATOM 272 CA SER A 18 8.721 3.869 6.207 1.00 1.00 C ATOM 273 C SER A 18 7.489 3.865 5.314 1.00 1.00 C ATOM 274 O SER A 18 7.204 4.844 4.625 1.00 1.00 O ATOM 275 CB SER A 18 8.474 4.771 7.417 1.00 1.00 C ATOM 276 OG SER A 18 7.194 4.486 7.963 1.00 1.00 O ATOM 0 H SER A 18 9.873 5.386 5.328 1.00 1.00 H new ATOM 0 HA SER A 18 8.922 2.851 6.542 1.00 1.00 H new ATOM 0 HB2 SER A 18 9.247 4.610 8.169 1.00 1.00 H new ATOM 0 HB3 SER A 18 8.531 5.819 7.121 1.00 1.00 H new ATOM 0 HG SER A 18 7.034 5.062 8.740 1.00 1.00 H new ATOM 282 N LEU A 19 6.775 2.752 5.320 1.00 1.00 N ATOM 283 CA LEU A 19 5.585 2.601 4.501 1.00 1.00 C ATOM 284 C LEU A 19 4.839 1.339 4.900 1.00 1.00 C ATOM 285 O LEU A 19 5.427 0.416 5.459 1.00 1.00 O ATOM 286 CB LEU A 19 5.954 2.533 3.001 1.00 1.00 C ATOM 287 CG LEU A 19 6.842 1.302 2.687 1.00 1.00 C ATOM 288 CD1 LEU A 19 6.987 1.153 1.167 1.00 1.00 C ATOM 289 CD2 LEU A 19 8.239 1.473 3.315 1.00 1.00 C ATOM 0 H LEU A 19 7.001 1.935 5.887 1.00 1.00 H new ATOM 0 HA LEU A 19 4.946 3.469 4.663 1.00 1.00 H new ATOM 0 HB2 LEU A 19 5.044 2.487 2.403 1.00 1.00 H new ATOM 0 HB3 LEU A 19 6.479 3.444 2.713 1.00 1.00 H new ATOM 0 HG LEU A 19 6.371 0.413 3.106 1.00 1.00 H new ATOM 0 HD11 LEU A 19 7.611 0.288 0.944 1.00 1.00 H new ATOM 0 HD12 LEU A 19 6.003 1.015 0.719 1.00 1.00 H new ATOM 0 HD13 LEU A 19 7.450 2.050 0.756 1.00 1.00 H new ATOM 0 HD21 LEU A 19 8.850 0.600 3.085 1.00 1.00 H new ATOM 0 HD22 LEU A 19 8.714 2.366 2.908 1.00 1.00 H new ATOM 0 HD23 LEU A 19 8.142 1.574 4.396 1.00 1.00 H new ATOM 301 N SER A 20 3.551 1.295 4.585 1.00 1.00 N ATOM 302 CA SER A 20 2.725 0.120 4.887 1.00 1.00 C ATOM 303 C SER A 20 2.512 -0.690 3.616 1.00 1.00 C ATOM 304 O SER A 20 1.513 -0.499 2.923 1.00 1.00 O ATOM 305 CB SER A 20 1.368 0.574 5.423 1.00 1.00 C ATOM 306 OG SER A 20 1.552 1.256 6.657 1.00 1.00 O ATOM 0 H SER A 20 3.051 2.054 4.122 1.00 1.00 H new ATOM 0 HA SER A 20 3.229 -0.493 5.634 1.00 1.00 H new ATOM 0 HB2 SER A 20 0.881 1.230 4.702 1.00 1.00 H new ATOM 0 HB3 SER A 20 0.714 -0.286 5.564 1.00 1.00 H new ATOM 0 HG SER A 20 0.683 1.549 7.001 1.00 1.00 H new ATOM 312 N GLU A 21 3.452 -1.596 3.297 1.00 1.00 N ATOM 313 CA GLU A 21 3.330 -2.420 2.079 1.00 1.00 C ATOM 314 C GLU A 21 2.757 -3.806 2.434 1.00 1.00 C ATOM 315 O GLU A 21 3.037 -4.326 3.514 1.00 1.00 O ATOM 316 CB GLU A 21 4.706 -2.574 1.411 1.00 1.00 C ATOM 317 CG GLU A 21 5.734 -2.987 2.450 1.00 1.00 C ATOM 318 CD GLU A 21 7.085 -3.265 1.790 1.00 1.00 C ATOM 319 OE1 GLU A 21 7.136 -3.285 0.570 1.00 1.00 O ATOM 320 OE2 GLU A 21 8.048 -3.452 2.515 1.00 1.00 O ATOM 0 H GLU A 21 4.289 -1.776 3.852 1.00 1.00 H new ATOM 0 HA GLU A 21 2.652 -1.926 1.383 1.00 1.00 H new ATOM 0 HB2 GLU A 21 4.655 -3.321 0.618 1.00 1.00 H new ATOM 0 HB3 GLU A 21 5.002 -1.634 0.945 1.00 1.00 H new ATOM 0 HG2 GLU A 21 5.843 -2.199 3.195 1.00 1.00 H new ATOM 0 HG3 GLU A 21 5.390 -3.878 2.976 1.00 1.00 H new ATOM 408 N SER A 27 10.399 -12.127 4.468 1.00 1.00 N ATOM 409 CA SER A 27 11.420 -12.578 3.536 1.00 1.00 C ATOM 410 C SER A 27 12.524 -11.541 3.429 1.00 1.00 C ATOM 411 O SER A 27 12.339 -10.477 2.838 1.00 1.00 O ATOM 412 CB SER A 27 10.801 -12.825 2.154 1.00 1.00 C ATOM 413 OG SER A 27 10.694 -11.589 1.459 1.00 1.00 O ATOM 0 HA SER A 27 11.844 -13.511 3.906 1.00 1.00 H new ATOM 0 HB2 SER A 27 11.417 -13.522 1.586 1.00 1.00 H new ATOM 0 HB3 SER A 27 9.817 -13.282 2.260 1.00 1.00 H new ATOM 0 HG SER A 27 10.869 -10.850 2.078 1.00 1.00 H new ATOM 419 N PHE A 28 13.680 -11.855 4.006 1.00 1.00 N ATOM 420 CA PHE A 28 14.819 -10.940 3.974 1.00 1.00 C ATOM 421 C PHE A 28 15.806 -11.361 2.894 1.00 1.00 C ATOM 422 O PHE A 28 16.229 -12.515 2.835 1.00 1.00 O ATOM 423 CB PHE A 28 15.527 -10.953 5.334 1.00 1.00 C ATOM 424 CG PHE A 28 15.997 -12.362 5.655 1.00 1.00 C ATOM 425 CD1 PHE A 28 15.147 -13.246 6.334 1.00 1.00 C ATOM 426 CD2 PHE A 28 17.279 -12.784 5.271 1.00 1.00 C ATOM 427 CE1 PHE A 28 15.577 -14.546 6.628 1.00 1.00 C ATOM 428 CE2 PHE A 28 17.707 -14.085 5.566 1.00 1.00 C ATOM 429 CZ PHE A 28 16.857 -14.965 6.244 1.00 1.00 C ATOM 0 H PHE A 28 13.854 -12.731 4.499 1.00 1.00 H new ATOM 0 HA PHE A 28 14.455 -9.936 3.754 1.00 1.00 H new ATOM 0 HB2 PHE A 28 16.377 -10.271 5.319 1.00 1.00 H new ATOM 0 HB3 PHE A 28 14.849 -10.600 6.111 1.00 1.00 H new ATOM 0 HD1 PHE A 28 14.160 -12.924 6.631 1.00 1.00 H new ATOM 0 HD2 PHE A 28 17.936 -12.105 4.748 1.00 1.00 H new ATOM 0 HE1 PHE A 28 14.921 -15.226 7.151 1.00 1.00 H new ATOM 0 HE2 PHE A 28 18.694 -14.409 5.270 1.00 1.00 H new ATOM 0 HZ PHE A 28 17.188 -15.968 6.471 1.00 1.00 H new ATOM 439 N THR A 29 16.160 -10.415 2.029 1.00 1.00 N ATOM 440 CA THR A 29 17.094 -10.681 0.941 1.00 1.00 C ATOM 441 C THR A 29 17.657 -9.371 0.418 1.00 1.00 C ATOM 442 O THR A 29 16.910 -8.424 0.171 1.00 1.00 O ATOM 443 CB THR A 29 16.382 -11.421 -0.195 1.00 1.00 C ATOM 444 OG1 THR A 29 15.769 -12.595 0.316 1.00 1.00 O ATOM 445 CG2 THR A 29 17.396 -11.802 -1.277 1.00 1.00 C ATOM 0 H THR A 29 15.813 -9.456 2.061 1.00 1.00 H new ATOM 0 HA THR A 29 17.907 -11.302 1.317 1.00 1.00 H new ATOM 0 HB THR A 29 15.621 -10.772 -0.628 1.00 1.00 H new ATOM 0 HG1 THR A 29 16.199 -12.848 1.159 1.00 1.00 H new ATOM 0 HG21 THR A 29 16.886 -12.328 -2.084 1.00 1.00 H new ATOM 0 HG22 THR A 29 17.864 -10.900 -1.671 1.00 1.00 H new ATOM 0 HG23 THR A 29 18.161 -12.449 -0.847 1.00 1.00 H new ATOM 453 N THR A 30 18.978 -9.320 0.254 1.00 1.00 N ATOM 454 CA THR A 30 19.647 -8.110 -0.239 1.00 1.00 C ATOM 455 C THR A 30 20.009 -8.247 -1.715 1.00 1.00 C ATOM 456 O THR A 30 20.755 -9.140 -2.108 1.00 1.00 O ATOM 457 CB THR A 30 20.922 -7.851 0.582 1.00 1.00 C ATOM 458 OG1 THR A 30 21.792 -7.001 -0.150 1.00 1.00 O ATOM 459 CG2 THR A 30 21.629 -9.175 0.875 1.00 1.00 C ATOM 0 H THR A 30 19.607 -10.098 0.454 1.00 1.00 H new ATOM 0 HA THR A 30 18.960 -7.271 -0.129 1.00 1.00 H new ATOM 0 HB THR A 30 20.652 -7.373 1.524 1.00 1.00 H new ATOM 0 HG1 THR A 30 21.503 -6.070 -0.047 1.00 1.00 H new ATOM 0 HG21 THR A 30 22.531 -8.985 1.457 1.00 1.00 H new ATOM 0 HG22 THR A 30 20.963 -9.826 1.441 1.00 1.00 H new ATOM 0 HG23 THR A 30 21.898 -9.659 -0.064 1.00 1.00 H new ATOM 467 N TYR A 31 19.465 -7.343 -2.533 1.00 1.00 N ATOM 468 CA TYR A 31 19.727 -7.348 -3.976 1.00 1.00 C ATOM 469 C TYR A 31 19.896 -5.929 -4.500 1.00 1.00 C ATOM 470 O TYR A 31 19.097 -5.043 -4.194 1.00 1.00 O ATOM 471 CB TYR A 31 18.570 -8.018 -4.704 1.00 1.00 C ATOM 472 CG TYR A 31 17.288 -7.288 -4.378 1.00 1.00 C ATOM 473 CD1 TYR A 31 16.606 -7.587 -3.194 1.00 1.00 C ATOM 474 CD2 TYR A 31 16.768 -6.325 -5.259 1.00 1.00 C ATOM 475 CE1 TYR A 31 15.414 -6.930 -2.886 1.00 1.00 C ATOM 476 CE2 TYR A 31 15.574 -5.679 -4.953 1.00 1.00 C ATOM 477 CZ TYR A 31 14.896 -5.976 -3.766 1.00 1.00 C ATOM 478 OH TYR A 31 13.711 -5.334 -3.467 1.00 1.00 O ATOM 0 H TYR A 31 18.841 -6.599 -2.222 1.00 1.00 H new ATOM 0 HA TYR A 31 20.649 -7.900 -4.156 1.00 1.00 H new ATOM 0 HB2 TYR A 31 18.746 -8.006 -5.780 1.00 1.00 H new ATOM 0 HB3 TYR A 31 18.493 -9.063 -4.405 1.00 1.00 H new ATOM 0 HD1 TYR A 31 17.003 -8.328 -2.516 1.00 1.00 H new ATOM 0 HD2 TYR A 31 17.294 -6.087 -6.172 1.00 1.00 H new ATOM 0 HE1 TYR A 31 14.892 -7.159 -1.968 1.00 1.00 H new ATOM 0 HE2 TYR A 31 15.169 -4.946 -5.635 1.00 1.00 H new ATOM 0 HH TYR A 31 13.611 -5.268 -2.494 1.00 1.00 H new ATOM 488 N THR A 32 20.935 -5.724 -5.304 1.00 1.00 N ATOM 489 CA THR A 32 21.212 -4.409 -5.893 1.00 1.00 C ATOM 490 C THR A 32 21.629 -4.567 -7.351 1.00 1.00 C ATOM 491 O THR A 32 22.659 -5.168 -7.650 1.00 1.00 O ATOM 492 CB THR A 32 22.334 -3.718 -5.102 1.00 1.00 C ATOM 493 OG1 THR A 32 22.528 -2.409 -5.617 1.00 1.00 O ATOM 494 CG2 THR A 32 23.654 -4.511 -5.215 1.00 1.00 C ATOM 0 H THR A 32 21.602 -6.450 -5.565 1.00 1.00 H new ATOM 0 HA THR A 32 20.309 -3.799 -5.848 1.00 1.00 H new ATOM 0 HB THR A 32 22.045 -3.672 -4.052 1.00 1.00 H new ATOM 0 HG1 THR A 32 23.242 -1.962 -5.115 1.00 1.00 H new ATOM 0 HG21 THR A 32 24.433 -4.003 -4.647 1.00 1.00 H new ATOM 0 HG22 THR A 32 23.511 -5.515 -4.816 1.00 1.00 H new ATOM 0 HG23 THR A 32 23.951 -4.576 -6.262 1.00 1.00 H new ATOM 502 N ALA A 33 20.819 -4.019 -8.256 1.00 1.00 N ATOM 503 CA ALA A 33 21.106 -4.091 -9.688 1.00 1.00 C ATOM 504 C ALA A 33 19.899 -3.602 -10.487 1.00 1.00 C ATOM 505 O ALA A 33 18.762 -3.967 -10.189 1.00 1.00 O ATOM 506 CB ALA A 33 21.470 -5.541 -10.096 1.00 1.00 C ATOM 0 H ALA A 33 19.960 -3.521 -8.023 1.00 1.00 H new ATOM 0 HA ALA A 33 21.959 -3.448 -9.907 1.00 1.00 H new ATOM 0 HB1 ALA A 33 21.681 -5.576 -11.165 1.00 1.00 H new ATOM 0 HB2 ALA A 33 22.351 -5.865 -9.542 1.00 1.00 H new ATOM 0 HB3 ALA A 33 20.635 -6.203 -9.869 1.00 1.00 H new ATOM 512 N ALA A 34 20.156 -2.811 -11.528 1.00 1.00 N ATOM 513 CA ALA A 34 19.086 -2.318 -12.395 1.00 1.00 C ATOM 514 C ALA A 34 18.842 -3.306 -13.529 1.00 1.00 C ATOM 515 O ALA A 34 19.750 -3.624 -14.296 1.00 1.00 O ATOM 516 CB ALA A 34 19.464 -0.951 -12.967 1.00 1.00 C ATOM 0 H ALA A 34 21.091 -2.499 -11.791 1.00 1.00 H new ATOM 0 HA ALA A 34 18.173 -2.216 -11.809 1.00 1.00 H new ATOM 0 HB1 ALA A 34 18.662 -0.592 -13.611 1.00 1.00 H new ATOM 0 HB2 ALA A 34 19.618 -0.245 -12.151 1.00 1.00 H new ATOM 0 HB3 ALA A 34 20.382 -1.041 -13.547 1.00 1.00 H new ATOM 522 N GLN A 35 17.601 -3.789 -13.627 1.00 1.00 N ATOM 523 CA GLN A 35 17.224 -4.745 -14.673 1.00 1.00 C ATOM 524 C GLN A 35 15.730 -4.641 -14.965 1.00 1.00 C ATOM 525 O GLN A 35 14.944 -4.226 -14.111 1.00 1.00 O ATOM 526 CB GLN A 35 17.564 -6.185 -14.246 1.00 1.00 C ATOM 527 CG GLN A 35 19.086 -6.364 -14.135 1.00 1.00 C ATOM 528 CD GLN A 35 19.436 -7.836 -13.946 1.00 1.00 C ATOM 529 OE1 GLN A 35 18.925 -8.694 -14.666 1.00 1.00 O ATOM 530 NE2 GLN A 35 20.290 -8.180 -13.021 1.00 1.00 N ATOM 0 H GLN A 35 16.841 -3.535 -12.996 1.00 1.00 H new ATOM 0 HA GLN A 35 17.789 -4.503 -15.573 1.00 1.00 H new ATOM 0 HB2 GLN A 35 17.094 -6.408 -13.288 1.00 1.00 H new ATOM 0 HB3 GLN A 35 17.160 -6.891 -14.971 1.00 1.00 H new ATOM 0 HG2 GLN A 35 19.570 -5.981 -15.033 1.00 1.00 H new ATOM 0 HG3 GLN A 35 19.467 -5.782 -13.295 1.00 1.00 H new ATOM 0 HE21 GLN A 35 20.712 -7.467 -12.426 1.00 1.00 H new ATOM 0 HE22 GLN A 35 20.536 -9.162 -12.893 1.00 1.00 H new ATOM 539 N GLU A 36 15.348 -5.019 -16.181 1.00 1.00 N ATOM 540 CA GLU A 36 13.948 -4.964 -16.593 1.00 1.00 C ATOM 541 C GLU A 36 13.132 -6.039 -15.883 1.00 1.00 C ATOM 542 O GLU A 36 13.489 -7.215 -15.893 1.00 1.00 O ATOM 543 CB GLU A 36 13.843 -5.160 -18.111 1.00 1.00 C ATOM 544 CG GLU A 36 14.459 -3.957 -18.834 1.00 1.00 C ATOM 545 CD GLU A 36 15.972 -3.941 -18.638 1.00 1.00 C ATOM 546 OE1 GLU A 36 16.534 -5.001 -18.414 1.00 1.00 O ATOM 547 OE2 GLU A 36 16.548 -2.869 -18.720 1.00 1.00 O ATOM 0 H GLU A 36 15.986 -5.366 -16.897 1.00 1.00 H new ATOM 0 HA GLU A 36 13.549 -3.987 -16.322 1.00 1.00 H new ATOM 0 HB2 GLU A 36 14.357 -6.075 -18.405 1.00 1.00 H new ATOM 0 HB3 GLU A 36 12.798 -5.274 -18.401 1.00 1.00 H new ATOM 0 HG2 GLU A 36 14.223 -4.003 -19.897 1.00 1.00 H new ATOM 0 HG3 GLU A 36 14.026 -3.033 -18.451 1.00 1.00 H new ATOM 554 N GLY A 37 12.021 -5.618 -15.278 1.00 1.00 N ATOM 555 CA GLY A 37 11.130 -6.534 -14.567 1.00 1.00 C ATOM 556 C GLY A 37 11.444 -6.559 -13.076 1.00 1.00 C ATOM 557 O GLY A 37 10.612 -6.972 -12.269 1.00 1.00 O ATOM 0 H GLY A 37 11.716 -4.645 -15.267 1.00 1.00 H new ATOM 0 HA2 GLY A 37 10.094 -6.230 -14.719 1.00 1.00 H new ATOM 0 HA3 GLY A 37 11.231 -7.538 -14.980 1.00 1.00 H new ATOM 561 N GLN A 38 12.653 -6.124 -12.709 1.00 1.00 N ATOM 562 CA GLN A 38 13.059 -6.117 -11.300 1.00 1.00 C ATOM 563 C GLN A 38 12.514 -4.863 -10.584 1.00 1.00 C ATOM 564 O GLN A 38 12.326 -3.824 -11.217 1.00 1.00 O ATOM 565 CB GLN A 38 14.606 -6.150 -11.202 1.00 1.00 C ATOM 566 CG GLN A 38 15.121 -7.596 -11.314 1.00 1.00 C ATOM 567 CD GLN A 38 14.761 -8.381 -10.053 1.00 1.00 C ATOM 568 OE1 GLN A 38 15.342 -8.153 -8.992 1.00 1.00 O ATOM 569 NE2 GLN A 38 13.827 -9.290 -10.107 1.00 1.00 N ATOM 0 H GLN A 38 13.359 -5.777 -13.358 1.00 1.00 H new ATOM 0 HA GLN A 38 12.646 -7.000 -10.813 1.00 1.00 H new ATOM 0 HB2 GLN A 38 15.040 -5.540 -11.995 1.00 1.00 H new ATOM 0 HB3 GLN A 38 14.926 -5.716 -10.255 1.00 1.00 H new ATOM 0 HG2 GLN A 38 14.685 -8.079 -12.189 1.00 1.00 H new ATOM 0 HG3 GLN A 38 16.202 -7.595 -11.455 1.00 1.00 H new ATOM 0 HE21 GLN A 38 13.347 -9.477 -10.988 1.00 1.00 H new ATOM 0 HE22 GLN A 38 13.576 -9.814 -9.269 1.00 1.00 H new ATOM 578 N PRO A 39 12.277 -4.932 -9.283 1.00 1.00 N ATOM 579 CA PRO A 39 11.768 -3.770 -8.495 1.00 1.00 C ATOM 580 C PRO A 39 12.397 -2.438 -8.921 1.00 1.00 C ATOM 581 O PRO A 39 13.613 -2.258 -8.839 1.00 1.00 O ATOM 582 CB PRO A 39 12.169 -4.125 -7.051 1.00 1.00 C ATOM 583 CG PRO A 39 12.148 -5.626 -6.993 1.00 1.00 C ATOM 584 CD PRO A 39 12.452 -6.125 -8.421 1.00 1.00 C ATOM 0 HA PRO A 39 10.697 -3.622 -8.635 1.00 1.00 H new ATOM 0 HB2 PRO A 39 13.158 -3.736 -6.810 1.00 1.00 H new ATOM 0 HB3 PRO A 39 11.473 -3.694 -6.332 1.00 1.00 H new ATOM 0 HG2 PRO A 39 12.890 -5.997 -6.286 1.00 1.00 H new ATOM 0 HG3 PRO A 39 11.177 -5.987 -6.654 1.00 1.00 H new ATOM 0 HD2 PRO A 39 13.465 -6.521 -8.495 1.00 1.00 H new ATOM 0 HD3 PRO A 39 11.774 -6.927 -8.713 1.00 1.00 H new ATOM 592 N GLU A 40 11.555 -1.513 -9.366 1.00 1.00 N ATOM 593 CA GLU A 40 12.025 -0.198 -9.793 1.00 1.00 C ATOM 594 C GLU A 40 12.531 0.605 -8.596 1.00 1.00 C ATOM 595 O GLU A 40 13.326 1.532 -8.750 1.00 1.00 O ATOM 596 CB GLU A 40 10.901 0.573 -10.500 1.00 1.00 C ATOM 597 CG GLU A 40 10.537 -0.128 -11.820 1.00 1.00 C ATOM 598 CD GLU A 40 9.827 -1.450 -11.541 1.00 1.00 C ATOM 599 OE1 GLU A 40 9.270 -1.588 -10.464 1.00 1.00 O ATOM 600 OE2 GLU A 40 9.856 -2.309 -12.406 1.00 1.00 O ATOM 0 H GLU A 40 10.547 -1.647 -9.441 1.00 1.00 H new ATOM 0 HA GLU A 40 12.847 -0.343 -10.494 1.00 1.00 H new ATOM 0 HB2 GLU A 40 10.025 0.630 -9.854 1.00 1.00 H new ATOM 0 HB3 GLU A 40 11.218 1.597 -10.697 1.00 1.00 H new ATOM 0 HG2 GLU A 40 9.894 0.519 -12.417 1.00 1.00 H new ATOM 0 HG3 GLU A 40 11.439 -0.308 -12.404 1.00 1.00 H new ATOM 607 N PHE A 41 12.051 0.251 -7.408 1.00 1.00 N ATOM 608 CA PHE A 41 12.440 0.953 -6.190 1.00 1.00 C ATOM 609 C PHE A 41 13.903 0.678 -5.844 1.00 1.00 C ATOM 610 O PHE A 41 14.462 1.321 -4.960 1.00 1.00 O ATOM 611 CB PHE A 41 11.551 0.505 -5.029 1.00 1.00 C ATOM 612 CG PHE A 41 10.093 0.717 -5.400 1.00 1.00 C ATOM 613 CD1 PHE A 41 9.606 2.017 -5.574 1.00 1.00 C ATOM 614 CD2 PHE A 41 9.233 -0.381 -5.578 1.00 1.00 C ATOM 615 CE1 PHE A 41 8.265 2.223 -5.923 1.00 1.00 C ATOM 616 CE2 PHE A 41 7.894 -0.172 -5.926 1.00 1.00 C ATOM 617 CZ PHE A 41 7.410 1.130 -6.098 1.00 1.00 C ATOM 0 H PHE A 41 11.394 -0.516 -7.263 1.00 1.00 H new ATOM 0 HA PHE A 41 12.317 2.023 -6.359 1.00 1.00 H new ATOM 0 HB2 PHE A 41 11.731 -0.546 -4.803 1.00 1.00 H new ATOM 0 HB3 PHE A 41 11.795 1.071 -4.130 1.00 1.00 H new ATOM 0 HD1 PHE A 41 10.264 2.862 -5.439 1.00 1.00 H new ATOM 0 HD2 PHE A 41 9.606 -1.386 -5.446 1.00 1.00 H new ATOM 0 HE1 PHE A 41 7.891 3.227 -6.057 1.00 1.00 H new ATOM 0 HE2 PHE A 41 7.234 -1.016 -6.062 1.00 1.00 H new ATOM 0 HZ PHE A 41 6.376 1.291 -6.366 1.00 1.00 H new ATOM 627 N ILE A 42 14.509 -0.286 -6.546 1.00 1.00 N ATOM 628 CA ILE A 42 15.919 -0.659 -6.323 1.00 1.00 C ATOM 629 C ILE A 42 16.737 -0.408 -7.581 1.00 1.00 C ATOM 630 O ILE A 42 17.914 -0.066 -7.507 1.00 1.00 O ATOM 631 CB ILE A 42 15.998 -2.147 -5.900 1.00 1.00 C ATOM 632 CG1 ILE A 42 15.589 -2.275 -4.412 1.00 1.00 C ATOM 633 CG2 ILE A 42 17.436 -2.692 -6.081 1.00 1.00 C ATOM 634 CD1 ILE A 42 14.085 -2.042 -4.192 1.00 1.00 C ATOM 0 H ILE A 42 14.047 -0.827 -7.277 1.00 1.00 H new ATOM 0 HA ILE A 42 16.335 -0.044 -5.525 1.00 1.00 H new ATOM 0 HB ILE A 42 15.322 -2.726 -6.529 1.00 1.00 H new ATOM 0 HG12 ILE A 42 15.856 -3.267 -4.049 1.00 1.00 H new ATOM 0 HG13 ILE A 42 16.155 -1.556 -3.820 1.00 1.00 H new ATOM 0 HG21 ILE A 42 17.469 -3.739 -5.778 1.00 1.00 H new ATOM 0 HG22 ILE A 42 17.728 -2.608 -7.128 1.00 1.00 H new ATOM 0 HG23 ILE A 42 18.124 -2.114 -5.465 1.00 1.00 H new ATOM 0 HD11 ILE A 42 13.852 -2.143 -3.132 1.00 1.00 H new ATOM 0 HD12 ILE A 42 13.819 -1.040 -4.528 1.00 1.00 H new ATOM 0 HD13 ILE A 42 13.516 -2.778 -4.760 1.00 1.00 H new ATOM 646 N ASN A 43 16.120 -0.595 -8.725 1.00 1.00 N ATOM 647 CA ASN A 43 16.827 -0.397 -9.977 1.00 1.00 C ATOM 648 C ASN A 43 17.265 1.052 -10.124 1.00 1.00 C ATOM 649 O ASN A 43 18.367 1.331 -10.598 1.00 1.00 O ATOM 650 CB ASN A 43 15.941 -0.785 -11.159 1.00 1.00 C ATOM 651 CG ASN A 43 15.534 -2.250 -11.040 1.00 1.00 C ATOM 652 OD1 ASN A 43 16.172 -3.014 -10.315 1.00 1.00 O ATOM 653 ND2 ASN A 43 14.505 -2.691 -11.708 1.00 1.00 N ATOM 0 H ASN A 43 15.145 -0.880 -8.819 1.00 1.00 H new ATOM 0 HA ASN A 43 17.711 -1.035 -9.968 1.00 1.00 H new ATOM 0 HB2 ASN A 43 15.054 -0.152 -11.183 1.00 1.00 H new ATOM 0 HB3 ASN A 43 16.475 -0.621 -12.095 1.00 1.00 H new ATOM 0 HD21 ASN A 43 14.228 -3.670 -11.630 1.00 1.00 H new ATOM 0 HD22 ASN A 43 13.977 -2.057 -12.308 1.00 1.00 H new ATOM 660 N ARG A 44 16.400 1.970 -9.719 1.00 1.00 N ATOM 661 CA ARG A 44 16.709 3.385 -9.814 1.00 1.00 C ATOM 662 C ARG A 44 17.885 3.735 -8.914 1.00 1.00 C ATOM 663 O ARG A 44 18.685 4.607 -9.237 1.00 1.00 O ATOM 664 CB ARG A 44 15.469 4.200 -9.422 1.00 1.00 C ATOM 665 CG ARG A 44 14.317 3.946 -10.429 1.00 1.00 C ATOM 666 CD ARG A 44 14.479 4.816 -11.686 1.00 1.00 C ATOM 667 NE ARG A 44 13.379 4.556 -12.613 1.00 1.00 N ATOM 668 CZ ARG A 44 12.173 5.089 -12.426 1.00 1.00 C ATOM 669 NH1 ARG A 44 11.949 5.847 -11.388 1.00 1.00 N ATOM 670 NH2 ARG A 44 11.213 4.847 -13.278 1.00 1.00 N ATOM 0 H ARG A 44 15.484 1.760 -9.324 1.00 1.00 H new ATOM 0 HA ARG A 44 16.988 3.625 -10.840 1.00 1.00 H new ATOM 0 HB2 ARG A 44 15.149 3.927 -8.417 1.00 1.00 H new ATOM 0 HB3 ARG A 44 15.715 5.262 -9.401 1.00 1.00 H new ATOM 0 HG2 ARG A 44 14.302 2.893 -10.711 1.00 1.00 H new ATOM 0 HG3 ARG A 44 13.360 4.162 -9.954 1.00 1.00 H new ATOM 0 HD2 ARG A 44 14.493 5.870 -11.410 1.00 1.00 H new ATOM 0 HD3 ARG A 44 15.432 4.600 -12.169 1.00 1.00 H new ATOM 0 HE ARG A 44 13.539 3.953 -13.420 1.00 1.00 H new ATOM 0 HH11 ARG A 44 12.697 6.031 -10.720 1.00 1.00 H new ATOM 0 HH12 ARG A 44 11.025 6.255 -11.245 1.00 1.00 H new ATOM 0 HH21 ARG A 44 11.387 4.250 -14.086 1.00 1.00 H new ATOM 0 HH22 ARG A 44 10.289 5.255 -13.135 1.00 1.00 H new ATOM 684 N LEU A 45 17.975 3.068 -7.776 1.00 1.00 N ATOM 685 CA LEU A 45 19.049 3.335 -6.832 1.00 1.00 C ATOM 686 C LEU A 45 20.411 3.006 -7.444 1.00 1.00 C ATOM 687 O LEU A 45 21.375 3.745 -7.249 1.00 1.00 O ATOM 688 CB LEU A 45 18.827 2.504 -5.551 1.00 1.00 C ATOM 689 CG LEU A 45 17.752 3.156 -4.666 1.00 1.00 C ATOM 690 CD1 LEU A 45 16.450 3.335 -5.466 1.00 1.00 C ATOM 691 CD2 LEU A 45 17.500 2.261 -3.448 1.00 1.00 C ATOM 0 H LEU A 45 17.322 2.341 -7.483 1.00 1.00 H new ATOM 0 HA LEU A 45 19.039 4.396 -6.584 1.00 1.00 H new ATOM 0 HB2 LEU A 45 18.523 1.491 -5.816 1.00 1.00 H new ATOM 0 HB3 LEU A 45 19.762 2.422 -4.997 1.00 1.00 H new ATOM 0 HG LEU A 45 18.095 4.137 -4.335 1.00 1.00 H new ATOM 0 HD11 LEU A 45 15.694 3.797 -4.832 1.00 1.00 H new ATOM 0 HD12 LEU A 45 16.638 3.973 -6.330 1.00 1.00 H new ATOM 0 HD13 LEU A 45 16.094 2.362 -5.804 1.00 1.00 H new ATOM 0 HD21 LEU A 45 16.739 2.715 -2.814 1.00 1.00 H new ATOM 0 HD22 LEU A 45 17.158 1.281 -3.781 1.00 1.00 H new ATOM 0 HD23 LEU A 45 18.424 2.149 -2.881 1.00 1.00 H new ATOM 703 N PHE A 46 20.500 1.898 -8.178 1.00 1.00 N ATOM 704 CA PHE A 46 21.761 1.504 -8.783 1.00 1.00 C ATOM 705 C PHE A 46 22.147 2.455 -9.915 1.00 1.00 C ATOM 706 O PHE A 46 23.224 2.330 -10.498 1.00 1.00 O ATOM 707 CB PHE A 46 21.634 0.079 -9.317 1.00 1.00 C ATOM 708 CG PHE A 46 22.971 -0.380 -9.845 1.00 1.00 C ATOM 709 CD1 PHE A 46 23.941 -0.852 -8.954 1.00 1.00 C ATOM 710 CD2 PHE A 46 23.244 -0.335 -11.219 1.00 1.00 C ATOM 711 CE1 PHE A 46 25.184 -1.278 -9.435 1.00 1.00 C ATOM 712 CE2 PHE A 46 24.486 -0.762 -11.699 1.00 1.00 C ATOM 713 CZ PHE A 46 25.456 -1.234 -10.807 1.00 1.00 C ATOM 0 H PHE A 46 19.721 1.267 -8.364 1.00 1.00 H new ATOM 0 HA PHE A 46 22.545 1.548 -8.027 1.00 1.00 H new ATOM 0 HB2 PHE A 46 21.295 -0.589 -8.525 1.00 1.00 H new ATOM 0 HB3 PHE A 46 20.886 0.041 -10.109 1.00 1.00 H new ATOM 0 HD1 PHE A 46 23.730 -0.888 -7.895 1.00 1.00 H new ATOM 0 HD2 PHE A 46 22.495 0.029 -11.907 1.00 1.00 H new ATOM 0 HE1 PHE A 46 25.934 -1.641 -8.747 1.00 1.00 H new ATOM 0 HE2 PHE A 46 24.697 -0.728 -12.758 1.00 1.00 H new ATOM 0 HZ PHE A 46 26.415 -1.564 -11.178 1.00 1.00 H new ATOM 723 N GLU A 47 21.259 3.391 -10.236 1.00 1.00 N ATOM 724 CA GLU A 47 21.516 4.345 -11.315 1.00 1.00 C ATOM 725 C GLU A 47 22.645 5.309 -10.949 1.00 1.00 C ATOM 726 O GLU A 47 23.290 5.875 -11.830 1.00 1.00 O ATOM 727 CB GLU A 47 20.242 5.148 -11.615 1.00 1.00 C ATOM 728 CG GLU A 47 20.447 6.002 -12.871 1.00 1.00 C ATOM 729 CD GLU A 47 19.143 6.701 -13.254 1.00 1.00 C ATOM 730 OE1 GLU A 47 18.223 6.686 -12.452 1.00 1.00 O ATOM 731 OE2 GLU A 47 19.086 7.243 -14.345 1.00 1.00 O ATOM 0 H GLU A 47 20.360 3.511 -9.769 1.00 1.00 H new ATOM 0 HA GLU A 47 21.817 3.779 -12.197 1.00 1.00 H new ATOM 0 HB2 GLU A 47 19.400 4.471 -11.759 1.00 1.00 H new ATOM 0 HB3 GLU A 47 19.996 5.787 -10.767 1.00 1.00 H new ATOM 0 HG2 GLU A 47 21.226 6.743 -12.692 1.00 1.00 H new ATOM 0 HG3 GLU A 47 20.787 5.374 -13.695 1.00 1.00 H new ATOM 738 N ILE A 48 22.868 5.502 -9.645 1.00 1.00 N ATOM 739 CA ILE A 48 23.913 6.416 -9.148 1.00 1.00 C ATOM 740 C ILE A 48 24.904 5.674 -8.262 1.00 1.00 C ATOM 741 O ILE A 48 24.526 4.791 -7.493 1.00 1.00 O ATOM 742 CB ILE A 48 23.269 7.554 -8.338 1.00 1.00 C ATOM 743 CG1 ILE A 48 22.552 6.985 -7.065 1.00 1.00 C ATOM 744 CG2 ILE A 48 22.260 8.283 -9.244 1.00 1.00 C ATOM 745 CD1 ILE A 48 23.420 7.152 -5.803 1.00 1.00 C ATOM 0 H ILE A 48 22.338 5.037 -8.908 1.00 1.00 H new ATOM 0 HA ILE A 48 24.444 6.825 -10.008 1.00 1.00 H new ATOM 0 HB ILE A 48 24.037 8.251 -8.002 1.00 1.00 H new ATOM 0 HG12 ILE A 48 21.600 7.497 -6.923 1.00 1.00 H new ATOM 0 HG13 ILE A 48 22.326 5.929 -7.215 1.00 1.00 H new ATOM 0 HG21 ILE A 48 21.792 9.095 -8.687 1.00 1.00 H new ATOM 0 HG22 ILE A 48 22.778 8.690 -10.112 1.00 1.00 H new ATOM 0 HG23 ILE A 48 21.495 7.581 -9.575 1.00 1.00 H new ATOM 0 HD11 ILE A 48 22.891 6.746 -4.941 1.00 1.00 H new ATOM 0 HD12 ILE A 48 24.361 6.618 -5.935 1.00 1.00 H new ATOM 0 HD13 ILE A 48 23.624 8.210 -5.639 1.00 1.00 H new ATOM 757 N GLU A 49 26.170 6.051 -8.367 1.00 1.00 N ATOM 758 CA GLU A 49 27.214 5.430 -7.563 1.00 1.00 C ATOM 759 C GLU A 49 27.036 5.768 -6.089 1.00 1.00 C ATOM 760 O GLU A 49 26.662 6.890 -5.750 1.00 1.00 O ATOM 761 CB GLU A 49 28.589 5.926 -8.030 1.00 1.00 C ATOM 762 CG GLU A 49 28.757 7.428 -7.709 1.00 1.00 C ATOM 763 CD GLU A 49 30.016 7.956 -8.389 1.00 1.00 C ATOM 764 OE1 GLU A 49 30.978 7.207 -8.469 1.00 1.00 O ATOM 765 OE2 GLU A 49 29.999 9.094 -8.824 1.00 1.00 O ATOM 0 H GLU A 49 26.499 6.781 -8.999 1.00 1.00 H new ATOM 0 HA GLU A 49 27.145 4.349 -7.687 1.00 1.00 H new ATOM 0 HB2 GLU A 49 29.375 5.353 -7.539 1.00 1.00 H new ATOM 0 HB3 GLU A 49 28.697 5.762 -9.102 1.00 1.00 H new ATOM 0 HG2 GLU A 49 27.885 7.984 -8.053 1.00 1.00 H new ATOM 0 HG3 GLU A 49 28.824 7.575 -6.631 1.00 1.00 H new ATOM 772 N GLY A 50 27.344 4.811 -5.215 1.00 1.00 N ATOM 773 CA GLY A 50 27.247 5.032 -3.770 1.00 1.00 C ATOM 774 C GLY A 50 26.551 3.873 -3.076 1.00 1.00 C ATOM 775 O GLY A 50 26.954 3.462 -1.990 1.00 1.00 O ATOM 0 H GLY A 50 27.662 3.878 -5.479 1.00 1.00 H new ATOM 0 HA2 GLY A 50 28.246 5.161 -3.353 1.00 1.00 H new ATOM 0 HA3 GLY A 50 26.699 5.955 -3.578 1.00 1.00 H new ATOM 779 N VAL A 51 25.503 3.357 -3.705 1.00 1.00 N ATOM 780 CA VAL A 51 24.750 2.256 -3.125 1.00 1.00 C ATOM 781 C VAL A 51 25.641 1.037 -2.944 1.00 1.00 C ATOM 782 O VAL A 51 26.074 0.424 -3.920 1.00 1.00 O ATOM 783 CB VAL A 51 23.582 1.896 -4.051 1.00 1.00 C ATOM 784 CG1 VAL A 51 22.675 0.868 -3.366 1.00 1.00 C ATOM 785 CG2 VAL A 51 22.765 3.153 -4.374 1.00 1.00 C ATOM 0 H VAL A 51 25.158 3.681 -4.609 1.00 1.00 H new ATOM 0 HA VAL A 51 24.373 2.564 -2.150 1.00 1.00 H new ATOM 0 HB VAL A 51 23.981 1.475 -4.974 1.00 1.00 H new ATOM 0 HG11 VAL A 51 21.847 0.615 -4.028 1.00 1.00 H new ATOM 0 HG12 VAL A 51 23.248 -0.032 -3.143 1.00 1.00 H new ATOM 0 HG13 VAL A 51 22.284 1.288 -2.439 1.00 1.00 H new ATOM 0 HG21 VAL A 51 21.937 2.890 -5.032 1.00 1.00 H new ATOM 0 HG22 VAL A 51 22.373 3.579 -3.451 1.00 1.00 H new ATOM 0 HG23 VAL A 51 23.403 3.885 -4.869 1.00 1.00 H new ATOM 795 N LYS A 52 25.907 0.680 -1.687 1.00 1.00 N ATOM 796 CA LYS A 52 26.740 -0.480 -1.385 1.00 1.00 C ATOM 797 C LYS A 52 25.912 -1.755 -1.461 1.00 1.00 C ATOM 798 O LYS A 52 26.291 -2.719 -2.125 1.00 1.00 O ATOM 799 CB LYS A 52 27.333 -0.330 0.020 1.00 1.00 C ATOM 800 CG LYS A 52 28.293 -1.487 0.301 1.00 1.00 C ATOM 801 CD LYS A 52 28.977 -1.268 1.650 1.00 1.00 C ATOM 802 CE LYS A 52 29.956 -2.411 1.907 1.00 1.00 C ATOM 803 NZ LYS A 52 29.215 -3.704 1.920 1.00 1.00 N ATOM 0 H LYS A 52 25.559 1.176 -0.867 1.00 1.00 H new ATOM 0 HA LYS A 52 27.546 -0.541 -2.116 1.00 1.00 H new ATOM 0 HB2 LYS A 52 27.860 0.621 0.103 1.00 1.00 H new ATOM 0 HB3 LYS A 52 26.535 -0.318 0.763 1.00 1.00 H new ATOM 0 HG2 LYS A 52 27.749 -2.431 0.307 1.00 1.00 H new ATOM 0 HG3 LYS A 52 29.040 -1.554 -0.490 1.00 1.00 H new ATOM 0 HD2 LYS A 52 29.504 -0.314 1.653 1.00 1.00 H new ATOM 0 HD3 LYS A 52 28.233 -1.224 2.446 1.00 1.00 H new ATOM 0 HE2 LYS A 52 30.724 -2.427 1.134 1.00 1.00 H new ATOM 0 HE3 LYS A 52 30.465 -2.261 2.859 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 29.788 -4.427 2.400 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 28.315 -3.583 2.426 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 29.025 -4.005 0.943 1.00 1.00 H new ATOM 817 N SER A 53 24.775 -1.749 -0.769 1.00 1.00 N ATOM 818 CA SER A 53 23.883 -2.907 -0.752 1.00 1.00 C ATOM 819 C SER A 53 22.489 -2.491 -0.303 1.00 1.00 C ATOM 820 O SER A 53 22.317 -1.446 0.323 1.00 1.00 O ATOM 821 CB SER A 53 24.432 -3.971 0.198 1.00 1.00 C ATOM 822 OG SER A 53 24.648 -3.392 1.479 1.00 1.00 O ATOM 0 H SER A 53 24.450 -0.958 -0.214 1.00 1.00 H new ATOM 0 HA SER A 53 23.823 -3.318 -1.760 1.00 1.00 H new ATOM 0 HB2 SER A 53 23.731 -4.802 0.276 1.00 1.00 H new ATOM 0 HB3 SER A 53 25.365 -4.377 -0.192 1.00 1.00 H new ATOM 0 HG SER A 53 23.937 -3.677 2.091 1.00 1.00 H new ATOM 828 N ILE A 54 21.497 -3.326 -0.618 1.00 1.00 N ATOM 829 CA ILE A 54 20.102 -3.064 -0.248 1.00 1.00 C ATOM 830 C ILE A 54 19.569 -4.204 0.598 1.00 1.00 C ATOM 831 O ILE A 54 20.019 -5.332 0.472 1.00 1.00 O ATOM 832 CB ILE A 54 19.237 -2.946 -1.508 1.00 1.00 C ATOM 833 CG1 ILE A 54 19.803 -1.851 -2.437 1.00 1.00 C ATOM 834 CG2 ILE A 54 17.789 -2.619 -1.116 1.00 1.00 C ATOM 835 CD1 ILE A 54 19.871 -0.482 -1.743 1.00 1.00 C ATOM 0 H ILE A 54 21.634 -4.196 -1.132 1.00 1.00 H new ATOM 0 HA ILE A 54 20.064 -2.132 0.316 1.00 1.00 H new ATOM 0 HB ILE A 54 19.251 -3.896 -2.042 1.00 1.00 H new ATOM 0 HG12 ILE A 54 20.801 -2.138 -2.769 1.00 1.00 H new ATOM 0 HG13 ILE A 54 19.180 -1.775 -3.328 1.00 1.00 H new ATOM 0 HG21 ILE A 54 17.178 -2.536 -2.015 1.00 1.00 H new ATOM 0 HG22 ILE A 54 17.395 -3.414 -0.482 1.00 1.00 H new ATOM 0 HG23 ILE A 54 17.764 -1.675 -0.572 1.00 1.00 H new ATOM 0 HD11 ILE A 54 20.275 0.257 -2.435 1.00 1.00 H new ATOM 0 HD12 ILE A 54 18.870 -0.180 -1.434 1.00 1.00 H new ATOM 0 HD13 ILE A 54 20.516 -0.550 -0.867 1.00 1.00 H new ATOM 847 N PHE A 55 18.611 -3.884 1.461 1.00 1.00 N ATOM 848 CA PHE A 55 17.985 -4.865 2.347 1.00 1.00 C ATOM 849 C PHE A 55 16.474 -4.673 2.318 1.00 1.00 C ATOM 850 O PHE A 55 15.972 -3.603 2.663 1.00 1.00 O ATOM 851 CB PHE A 55 18.506 -4.679 3.771 1.00 1.00 C ATOM 852 CG PHE A 55 20.004 -4.910 3.785 1.00 1.00 C ATOM 853 CD1 PHE A 55 20.511 -6.209 3.920 1.00 1.00 C ATOM 854 CD2 PHE A 55 20.886 -3.827 3.655 1.00 1.00 C ATOM 855 CE1 PHE A 55 21.894 -6.425 3.926 1.00 1.00 C ATOM 856 CE2 PHE A 55 22.268 -4.044 3.662 1.00 1.00 C ATOM 857 CZ PHE A 55 22.772 -5.343 3.797 1.00 1.00 C ATOM 0 H PHE A 55 18.245 -2.938 1.568 1.00 1.00 H new ATOM 0 HA PHE A 55 18.229 -5.872 2.010 1.00 1.00 H new ATOM 0 HB2 PHE A 55 18.277 -3.675 4.127 1.00 1.00 H new ATOM 0 HB3 PHE A 55 18.012 -5.377 4.447 1.00 1.00 H new ATOM 0 HD1 PHE A 55 19.834 -7.045 4.020 1.00 1.00 H new ATOM 0 HD2 PHE A 55 20.498 -2.825 3.549 1.00 1.00 H new ATOM 0 HE1 PHE A 55 22.284 -7.427 4.030 1.00 1.00 H new ATOM 0 HE2 PHE A 55 22.946 -3.209 3.563 1.00 1.00 H new ATOM 0 HZ PHE A 55 23.839 -5.510 3.802 1.00 1.00 H new ATOM 867 N TYR A 56 15.753 -5.726 1.923 1.00 1.00 N ATOM 868 CA TYR A 56 14.289 -5.696 1.861 1.00 1.00 C ATOM 869 C TYR A 56 13.714 -6.670 2.874 1.00 1.00 C ATOM 870 O TYR A 56 13.944 -7.872 2.781 1.00 1.00 O ATOM 871 CB TYR A 56 13.823 -6.090 0.460 1.00 1.00 C ATOM 872 CG TYR A 56 12.324 -5.914 0.368 1.00 1.00 C ATOM 873 CD1 TYR A 56 11.473 -6.957 0.751 1.00 1.00 C ATOM 874 CD2 TYR A 56 11.788 -4.705 -0.091 1.00 1.00 C ATOM 875 CE1 TYR A 56 10.089 -6.791 0.676 1.00 1.00 C ATOM 876 CE2 TYR A 56 10.403 -4.541 -0.168 1.00 1.00 C ATOM 877 CZ TYR A 56 9.554 -5.583 0.215 1.00 1.00 C ATOM 878 OH TYR A 56 8.190 -5.416 0.138 1.00 1.00 O ATOM 0 H TYR A 56 16.163 -6.616 1.639 1.00 1.00 H new ATOM 0 HA TYR A 56 13.943 -4.688 2.088 1.00 1.00 H new ATOM 0 HB2 TYR A 56 14.320 -5.473 -0.289 1.00 1.00 H new ATOM 0 HB3 TYR A 56 14.093 -7.125 0.251 1.00 1.00 H new ATOM 0 HD1 TYR A 56 11.887 -7.890 1.104 1.00 1.00 H new ATOM 0 HD2 TYR A 56 12.445 -3.900 -0.385 1.00 1.00 H new ATOM 0 HE1 TYR A 56 9.432 -7.594 0.974 1.00 1.00 H new ATOM 0 HE2 TYR A 56 9.988 -3.609 -0.523 1.00 1.00 H new ATOM 0 HH TYR A 56 7.988 -4.498 -0.140 1.00 1.00 H new ATOM 888 N VAL A 57 12.952 -6.150 3.828 1.00 1.00 N ATOM 889 CA VAL A 57 12.335 -6.989 4.844 1.00 1.00 C ATOM 890 C VAL A 57 11.238 -6.222 5.562 1.00 1.00 C ATOM 891 O VAL A 57 11.321 -5.004 5.729 1.00 1.00 O ATOM 892 CB VAL A 57 13.389 -7.472 5.846 1.00 1.00 C ATOM 893 CG1 VAL A 57 14.029 -6.271 6.547 1.00 1.00 C ATOM 894 CG2 VAL A 57 12.732 -8.388 6.890 1.00 1.00 C ATOM 0 H VAL A 57 12.748 -5.155 3.918 1.00 1.00 H new ATOM 0 HA VAL A 57 11.893 -7.859 4.358 1.00 1.00 H new ATOM 0 HB VAL A 57 14.159 -8.028 5.312 1.00 1.00 H new ATOM 0 HG11 VAL A 57 14.777 -6.621 7.258 1.00 1.00 H new ATOM 0 HG12 VAL A 57 14.505 -5.628 5.806 1.00 1.00 H new ATOM 0 HG13 VAL A 57 13.261 -5.707 7.077 1.00 1.00 H new ATOM 0 HG21 VAL A 57 13.485 -8.729 7.600 1.00 1.00 H new ATOM 0 HG22 VAL A 57 11.956 -7.837 7.421 1.00 1.00 H new ATOM 0 HG23 VAL A 57 12.288 -9.249 6.391 1.00 1.00 H new ATOM 904 N LEU A 58 10.220 -6.943 5.992 1.00 1.00 N ATOM 905 CA LEU A 58 9.108 -6.334 6.709 1.00 1.00 C ATOM 906 C LEU A 58 8.356 -5.340 5.807 1.00 1.00 C ATOM 907 O LEU A 58 8.152 -5.605 4.621 1.00 1.00 O ATOM 908 CB LEU A 58 9.653 -5.653 8.009 1.00 1.00 C ATOM 909 CG LEU A 58 8.763 -5.952 9.241 1.00 1.00 C ATOM 910 CD1 LEU A 58 7.329 -5.424 9.016 1.00 1.00 C ATOM 911 CD2 LEU A 58 8.745 -7.480 9.555 1.00 1.00 C ATOM 0 H LEU A 58 10.137 -7.951 5.859 1.00 1.00 H new ATOM 0 HA LEU A 58 8.388 -7.100 6.996 1.00 1.00 H new ATOM 0 HB2 LEU A 58 10.668 -6.002 8.202 1.00 1.00 H new ATOM 0 HB3 LEU A 58 9.710 -4.575 7.857 1.00 1.00 H new ATOM 0 HG LEU A 58 9.188 -5.435 10.101 1.00 1.00 H new ATOM 0 HD11 LEU A 58 6.719 -5.643 9.892 1.00 1.00 H new ATOM 0 HD12 LEU A 58 7.359 -4.346 8.855 1.00 1.00 H new ATOM 0 HD13 LEU A 58 6.896 -5.909 8.141 1.00 1.00 H new ATOM 0 HD21 LEU A 58 8.114 -7.665 10.424 1.00 1.00 H new ATOM 0 HD22 LEU A 58 8.350 -8.023 8.697 1.00 1.00 H new ATOM 0 HD23 LEU A 58 9.759 -7.820 9.764 1.00 1.00 H new ATOM 923 N ASP A 59 7.964 -4.186 6.374 1.00 1.00 N ATOM 924 CA ASP A 59 7.259 -3.151 5.637 1.00 1.00 C ATOM 925 C ASP A 59 8.147 -1.925 5.437 1.00 1.00 C ATOM 926 O ASP A 59 7.639 -0.824 5.262 1.00 1.00 O ATOM 927 CB ASP A 59 5.985 -2.752 6.388 1.00 1.00 C ATOM 928 CG ASP A 59 6.323 -2.164 7.758 1.00 1.00 C ATOM 929 OD1 ASP A 59 7.488 -1.907 8.007 1.00 1.00 O ATOM 930 OD2 ASP A 59 5.406 -1.981 8.541 1.00 1.00 O ATOM 0 H ASP A 59 8.132 -3.956 7.353 1.00 1.00 H new ATOM 0 HA ASP A 59 6.993 -3.548 4.657 1.00 1.00 H new ATOM 0 HB2 ASP A 59 5.426 -2.022 5.802 1.00 1.00 H new ATOM 0 HB3 ASP A 59 5.342 -3.623 6.510 1.00 1.00 H new ATOM 935 N PHE A 60 9.476 -2.117 5.481 1.00 1.00 N ATOM 936 CA PHE A 60 10.421 -1.013 5.316 1.00 1.00 C ATOM 937 C PHE A 60 11.678 -1.519 4.628 1.00 1.00 C ATOM 938 O PHE A 60 11.974 -2.714 4.669 1.00 1.00 O ATOM 939 CB PHE A 60 10.781 -0.411 6.686 1.00 1.00 C ATOM 940 CG PHE A 60 11.540 -1.427 7.522 1.00 1.00 C ATOM 941 CD1 PHE A 60 12.922 -1.575 7.344 1.00 1.00 C ATOM 942 CD2 PHE A 60 10.870 -2.223 8.462 1.00 1.00 C ATOM 943 CE1 PHE A 60 13.632 -2.511 8.102 1.00 1.00 C ATOM 944 CE2 PHE A 60 11.583 -3.162 9.221 1.00 1.00 C ATOM 945 CZ PHE A 60 12.963 -3.306 9.040 1.00 1.00 C ATOM 0 H PHE A 60 9.914 -3.026 5.629 1.00 1.00 H new ATOM 0 HA PHE A 60 9.959 -0.238 4.704 1.00 1.00 H new ATOM 0 HB2 PHE A 60 11.387 0.485 6.550 1.00 1.00 H new ATOM 0 HB3 PHE A 60 9.874 -0.106 7.207 1.00 1.00 H new ATOM 0 HD1 PHE A 60 13.440 -0.964 6.619 1.00 1.00 H new ATOM 0 HD2 PHE A 60 9.805 -2.113 8.601 1.00 1.00 H new ATOM 0 HE1 PHE A 60 14.697 -2.621 7.964 1.00 1.00 H new ATOM 0 HE2 PHE A 60 11.067 -3.774 9.946 1.00 1.00 H new ATOM 0 HZ PHE A 60 13.512 -4.030 9.624 1.00 1.00 H new ATOM 955 N ILE A 61 12.412 -0.604 4.002 1.00 1.00 N ATOM 956 CA ILE A 61 13.649 -0.940 3.299 1.00 1.00 C ATOM 957 C ILE A 61 14.786 -0.058 3.802 1.00 1.00 C ATOM 958 O ILE A 61 14.644 1.161 3.896 1.00 1.00 O ATOM 959 CB ILE A 61 13.462 -0.744 1.770 1.00 1.00 C ATOM 960 CG1 ILE A 61 12.046 -1.232 1.322 1.00 1.00 C ATOM 961 CG2 ILE A 61 14.530 -1.554 1.036 1.00 1.00 C ATOM 962 CD1 ILE A 61 11.054 -0.066 1.316 1.00 1.00 C ATOM 0 H ILE A 61 12.169 0.386 3.967 1.00 1.00 H new ATOM 0 HA ILE A 61 13.895 -1.984 3.493 1.00 1.00 H new ATOM 0 HB ILE A 61 13.557 0.315 1.532 1.00 1.00 H new ATOM 0 HG12 ILE A 61 12.105 -1.672 0.327 1.00 1.00 H new ATOM 0 HG13 ILE A 61 11.694 -2.013 1.996 1.00 1.00 H new ATOM 0 HG21 ILE A 61 14.409 -1.425 -0.040 1.00 1.00 H new ATOM 0 HG22 ILE A 61 15.519 -1.207 1.335 1.00 1.00 H new ATOM 0 HG23 ILE A 61 14.424 -2.609 1.289 1.00 1.00 H new ATOM 0 HD11 ILE A 61 10.074 -0.424 1.002 1.00 1.00 H new ATOM 0 HD12 ILE A 61 10.982 0.356 2.319 1.00 1.00 H new ATOM 0 HD13 ILE A 61 11.399 0.702 0.623 1.00 1.00 H new ATOM 974 N SER A 62 15.924 -0.682 4.099 1.00 1.00 N ATOM 975 CA SER A 62 17.113 0.042 4.566 1.00 1.00 C ATOM 976 C SER A 62 18.101 0.152 3.416 1.00 1.00 C ATOM 977 O SER A 62 18.489 -0.860 2.832 1.00 1.00 O ATOM 978 CB SER A 62 17.765 -0.702 5.735 1.00 1.00 C ATOM 979 OG SER A 62 18.765 0.125 6.315 1.00 1.00 O ATOM 0 H SER A 62 16.052 -1.691 4.025 1.00 1.00 H new ATOM 0 HA SER A 62 16.822 1.035 4.907 1.00 1.00 H new ATOM 0 HB2 SER A 62 17.014 -0.962 6.481 1.00 1.00 H new ATOM 0 HB3 SER A 62 18.206 -1.636 5.387 1.00 1.00 H new ATOM 0 HG SER A 62 19.184 -0.346 7.065 1.00 1.00 H new ATOM 985 N ILE A 63 18.489 1.381 3.084 1.00 1.00 N ATOM 986 CA ILE A 63 19.420 1.624 1.979 1.00 1.00 C ATOM 987 C ILE A 63 20.746 2.144 2.529 1.00 1.00 C ATOM 988 O ILE A 63 20.777 3.115 3.284 1.00 1.00 O ATOM 989 CB ILE A 63 18.818 2.662 1.024 1.00 1.00 C ATOM 990 CG1 ILE A 63 17.431 2.185 0.535 1.00 1.00 C ATOM 991 CG2 ILE A 63 19.747 2.834 -0.184 1.00 1.00 C ATOM 992 CD1 ILE A 63 16.707 3.338 -0.171 1.00 1.00 C ATOM 0 H ILE A 63 18.175 2.225 3.563 1.00 1.00 H new ATOM 0 HA ILE A 63 19.594 0.692 1.441 1.00 1.00 H new ATOM 0 HB ILE A 63 18.708 3.612 1.547 1.00 1.00 H new ATOM 0 HG12 ILE A 63 17.545 1.343 -0.147 1.00 1.00 H new ATOM 0 HG13 ILE A 63 16.838 1.833 1.379 1.00 1.00 H new ATOM 0 HG21 ILE A 63 19.324 3.571 -0.866 1.00 1.00 H new ATOM 0 HG22 ILE A 63 20.726 3.173 0.155 1.00 1.00 H new ATOM 0 HG23 ILE A 63 19.853 1.880 -0.700 1.00 1.00 H new ATOM 0 HD11 ILE A 63 15.730 2.998 -0.514 1.00 1.00 H new ATOM 0 HD12 ILE A 63 16.579 4.167 0.525 1.00 1.00 H new ATOM 0 HD13 ILE A 63 17.297 3.669 -1.026 1.00 1.00 H new ATOM 1004 N ASP A 64 21.841 1.489 2.133 1.00 1.00 N ATOM 1005 CA ASP A 64 23.192 1.882 2.576 1.00 1.00 C ATOM 1006 C ASP A 64 23.991 2.456 1.413 1.00 1.00 C ATOM 1007 O ASP A 64 24.339 1.734 0.480 1.00 1.00 O ATOM 1008 CB ASP A 64 23.930 0.668 3.160 1.00 1.00 C ATOM 1009 CG ASP A 64 25.182 1.121 3.908 1.00 1.00 C ATOM 1010 OD1 ASP A 64 25.042 1.887 4.848 1.00 1.00 O ATOM 1011 OD2 ASP A 64 26.262 0.700 3.528 1.00 1.00 O ATOM 0 H ASP A 64 21.824 0.684 1.507 1.00 1.00 H new ATOM 0 HA ASP A 64 23.092 2.647 3.346 1.00 1.00 H new ATOM 0 HB2 ASP A 64 23.271 0.123 3.836 1.00 1.00 H new ATOM 0 HB3 ASP A 64 24.204 -0.019 2.360 1.00 1.00 H new ATOM 1016 N LYS A 65 24.273 3.763 1.473 1.00 1.00 N ATOM 1017 CA LYS A 65 25.033 4.444 0.419 1.00 1.00 C ATOM 1018 C LYS A 65 26.358 4.961 0.969 1.00 1.00 C ATOM 1019 O LYS A 65 26.493 5.180 2.171 1.00 1.00 O ATOM 1020 CB LYS A 65 24.223 5.624 -0.131 1.00 1.00 C ATOM 1021 CG LYS A 65 22.781 5.198 -0.378 1.00 1.00 C ATOM 1022 CD LYS A 65 22.019 6.375 -0.984 1.00 1.00 C ATOM 1023 CE LYS A 65 20.578 5.966 -1.270 1.00 1.00 C ATOM 1024 NZ LYS A 65 19.887 5.635 0.009 1.00 1.00 N ATOM 0 H LYS A 65 23.986 4.370 2.241 1.00 1.00 H new ATOM 0 HA LYS A 65 25.230 3.729 -0.380 1.00 1.00 H new ATOM 0 HB2 LYS A 65 24.250 6.454 0.575 1.00 1.00 H new ATOM 0 HB3 LYS A 65 24.669 5.981 -1.059 1.00 1.00 H new ATOM 0 HG2 LYS A 65 22.750 4.341 -1.051 1.00 1.00 H new ATOM 0 HG3 LYS A 65 22.314 4.886 0.556 1.00 1.00 H new ATOM 0 HD2 LYS A 65 22.037 7.223 -0.299 1.00 1.00 H new ATOM 0 HD3 LYS A 65 22.504 6.699 -1.905 1.00 1.00 H new ATOM 0 HE2 LYS A 65 20.054 6.775 -1.779 1.00 1.00 H new ATOM 0 HE3 LYS A 65 20.560 5.105 -1.938 1.00 1.00 H new ATOM 0 HZ1 LYS A 65 18.959 5.213 -0.197 1.00 1.00 H new ATOM 0 HZ2 LYS A 65 20.463 4.959 0.550 1.00 1.00 H new ATOM 0 HZ3 LYS A 65 19.756 6.502 0.568 1.00 1.00 H new ATOM 1038 N GLU A 66 27.339 5.141 0.091 1.00 1.00 N ATOM 1039 CA GLU A 66 28.648 5.629 0.511 1.00 1.00 C ATOM 1040 C GLU A 66 28.531 7.080 0.998 1.00 1.00 C ATOM 1041 O GLU A 66 27.470 7.695 0.895 1.00 1.00 O ATOM 1042 CB GLU A 66 29.642 5.515 -0.673 1.00 1.00 C ATOM 1043 CG GLU A 66 31.075 5.227 -0.175 1.00 1.00 C ATOM 1044 CD GLU A 66 31.177 3.798 0.356 1.00 1.00 C ATOM 1045 OE1 GLU A 66 30.218 3.056 0.204 1.00 1.00 O ATOM 1046 OE2 GLU A 66 32.214 3.465 0.902 1.00 1.00 O ATOM 0 H GLU A 66 27.254 4.958 -0.909 1.00 1.00 H new ATOM 0 HA GLU A 66 29.022 5.025 1.337 1.00 1.00 H new ATOM 0 HB2 GLU A 66 29.321 4.719 -1.345 1.00 1.00 H new ATOM 0 HB3 GLU A 66 29.634 6.441 -1.248 1.00 1.00 H new ATOM 0 HG2 GLU A 66 31.786 5.371 -0.989 1.00 1.00 H new ATOM 0 HG3 GLU A 66 31.343 5.934 0.611 1.00 1.00 H new ATOM 1053 N ASP A 67 29.633 7.620 1.503 1.00 1.00 N ATOM 1054 CA ASP A 67 29.660 8.995 1.983 1.00 1.00 C ATOM 1055 C ASP A 67 29.557 9.985 0.820 1.00 1.00 C ATOM 1056 O ASP A 67 29.210 11.149 1.019 1.00 1.00 O ATOM 1057 CB ASP A 67 30.961 9.240 2.757 1.00 1.00 C ATOM 1058 CG ASP A 67 30.974 8.419 4.045 1.00 1.00 C ATOM 1059 OD1 ASP A 67 29.933 7.892 4.405 1.00 1.00 O ATOM 1060 OD2 ASP A 67 32.028 8.328 4.654 1.00 1.00 O ATOM 0 H ASP A 67 30.521 7.126 1.591 1.00 1.00 H new ATOM 0 HA ASP A 67 28.804 9.149 2.639 1.00 1.00 H new ATOM 0 HB2 ASP A 67 31.817 8.971 2.138 1.00 1.00 H new ATOM 0 HB3 ASP A 67 31.058 10.300 2.992 1.00 1.00 H new ATOM 1065 N ASN A 68 29.879 9.522 -0.393 1.00 1.00 N ATOM 1066 CA ASN A 68 29.836 10.384 -1.580 1.00 1.00 C ATOM 1067 C ASN A 68 28.439 10.419 -2.181 1.00 1.00 C ATOM 1068 O ASN A 68 28.216 11.045 -3.215 1.00 1.00 O ATOM 1069 CB ASN A 68 30.824 9.868 -2.631 1.00 1.00 C ATOM 1070 CG ASN A 68 30.849 10.814 -3.826 1.00 1.00 C ATOM 1071 OD1 ASN A 68 30.214 10.545 -4.846 1.00 1.00 O ATOM 1072 ND2 ASN A 68 31.549 11.914 -3.762 1.00 1.00 N ATOM 0 H ASN A 68 30.170 8.562 -0.578 1.00 1.00 H new ATOM 0 HA ASN A 68 30.110 11.394 -1.275 1.00 1.00 H new ATOM 0 HB2 ASN A 68 31.821 9.788 -2.198 1.00 1.00 H new ATOM 0 HB3 ASN A 68 30.536 8.868 -2.954 1.00 1.00 H new ATOM 0 HD21 ASN A 68 31.570 12.552 -4.558 1.00 1.00 H new ATOM 0 HD22 ASN A 68 32.075 12.136 -2.916 1.00 1.00 H new ATOM 1079 N ALA A 69 27.498 9.743 -1.527 1.00 1.00 N ATOM 1080 CA ALA A 69 26.112 9.696 -1.997 1.00 1.00 C ATOM 1081 C ALA A 69 25.275 10.743 -1.284 1.00 1.00 C ATOM 1082 O ALA A 69 25.585 11.134 -0.158 1.00 1.00 O ATOM 1083 CB ALA A 69 25.529 8.307 -1.721 1.00 1.00 C ATOM 0 H ALA A 69 27.668 9.219 -0.669 1.00 1.00 H new ATOM 0 HA ALA A 69 26.096 9.900 -3.068 1.00 1.00 H new ATOM 0 HB1 ALA A 69 24.497 8.270 -2.070 1.00 1.00 H new ATOM 0 HB2 ALA A 69 26.117 7.555 -2.246 1.00 1.00 H new ATOM 0 HB3 ALA A 69 25.557 8.107 -0.650 1.00 1.00 H new ATOM 1089 N ASN A 70 24.212 11.194 -1.938 1.00 1.00 N ATOM 1090 CA ASN A 70 23.316 12.205 -1.353 1.00 1.00 C ATOM 1091 C ASN A 70 21.855 11.891 -1.704 1.00 1.00 C ATOM 1092 O ASN A 70 21.490 11.803 -2.872 1.00 1.00 O ATOM 1093 CB ASN A 70 23.698 13.598 -1.887 1.00 1.00 C ATOM 1094 CG ASN A 70 24.025 13.516 -3.376 1.00 1.00 C ATOM 1095 OD1 ASN A 70 24.764 14.351 -3.894 1.00 1.00 O ATOM 1096 ND2 ASN A 70 23.520 12.552 -4.099 1.00 1.00 N ATOM 0 H ASN A 70 23.943 10.882 -2.871 1.00 1.00 H new ATOM 0 HA ASN A 70 23.422 12.190 -0.268 1.00 1.00 H new ATOM 0 HB2 ASN A 70 22.877 14.296 -1.725 1.00 1.00 H new ATOM 0 HB3 ASN A 70 24.557 13.984 -1.338 1.00 1.00 H new ATOM 0 HD21 ASN A 70 23.739 12.492 -5.093 1.00 1.00 H new ATOM 0 HD22 ASN A 70 22.907 11.859 -3.669 1.00 1.00 H new ATOM 1103 N TRP A 71 21.033 11.721 -0.676 1.00 1.00 N ATOM 1104 CA TRP A 71 19.619 11.413 -0.871 1.00 1.00 C ATOM 1105 C TRP A 71 18.926 12.493 -1.698 1.00 1.00 C ATOM 1106 O TRP A 71 17.931 12.226 -2.371 1.00 1.00 O ATOM 1107 CB TRP A 71 18.919 11.284 0.496 1.00 1.00 C ATOM 1108 CG TRP A 71 19.784 10.516 1.450 1.00 1.00 C ATOM 1109 CD1 TRP A 71 20.684 9.563 1.106 1.00 1.00 C ATOM 1110 CD2 TRP A 71 19.850 10.630 2.900 1.00 1.00 C ATOM 1111 NE1 TRP A 71 21.292 9.087 2.251 1.00 1.00 N ATOM 1112 CE2 TRP A 71 20.810 9.713 3.382 1.00 1.00 C ATOM 1113 CE3 TRP A 71 19.171 11.433 3.834 1.00 1.00 C ATOM 1114 CZ2 TRP A 71 21.091 9.596 4.743 1.00 1.00 C ATOM 1115 CZ3 TRP A 71 19.451 11.319 5.205 1.00 1.00 C ATOM 1116 CH2 TRP A 71 20.409 10.400 5.659 1.00 1.00 C ATOM 0 H TRP A 71 21.319 11.791 0.301 1.00 1.00 H new ATOM 0 HA TRP A 71 19.551 10.469 -1.412 1.00 1.00 H new ATOM 0 HB2 TRP A 71 18.709 12.274 0.900 1.00 1.00 H new ATOM 0 HB3 TRP A 71 17.960 10.779 0.376 1.00 1.00 H new ATOM 0 HD1 TRP A 71 20.892 9.230 0.100 1.00 1.00 H new ATOM 0 HE1 TRP A 71 22.009 8.362 2.259 1.00 1.00 H new ATOM 0 HE3 TRP A 71 18.430 12.141 3.495 1.00 1.00 H new ATOM 0 HZ2 TRP A 71 21.831 8.888 5.086 1.00 1.00 H new ATOM 0 HZ3 TRP A 71 18.926 11.942 5.914 1.00 1.00 H new ATOM 0 HH2 TRP A 71 20.619 10.314 6.715 1.00 1.00 H new ATOM 1127 N ASN A 72 19.457 13.706 -1.645 1.00 1.00 N ATOM 1128 CA ASN A 72 18.871 14.822 -2.380 1.00 1.00 C ATOM 1129 C ASN A 72 18.777 14.500 -3.864 1.00 1.00 C ATOM 1130 O ASN A 72 17.819 14.886 -4.529 1.00 1.00 O ATOM 1131 CB ASN A 72 19.729 16.072 -2.188 1.00 1.00 C ATOM 1132 CG ASN A 72 19.896 16.375 -0.701 1.00 1.00 C ATOM 1133 OD1 ASN A 72 20.701 17.229 -0.330 1.00 1.00 O ATOM 1134 ND2 ASN A 72 19.184 15.720 0.176 1.00 1.00 N ATOM 0 H ASN A 72 20.288 13.944 -1.104 1.00 1.00 H new ATOM 0 HA ASN A 72 17.867 14.999 -1.994 1.00 1.00 H new ATOM 0 HB2 ASN A 72 20.706 15.925 -2.648 1.00 1.00 H new ATOM 0 HB3 ASN A 72 19.265 16.921 -2.689 1.00 1.00 H new ATOM 0 HD21 ASN A 72 19.294 15.916 1.171 1.00 1.00 H new ATOM 0 HD22 ASN A 72 18.518 15.013 -0.134 1.00 1.00 H new ATOM 1141 N GLU A 73 19.776 13.792 -4.373 1.00 1.00 N ATOM 1142 CA GLU A 73 19.790 13.413 -5.784 1.00 1.00 C ATOM 1143 C GLU A 73 18.793 12.286 -6.049 1.00 1.00 C ATOM 1144 O GLU A 73 18.116 12.279 -7.074 1.00 1.00 O ATOM 1145 CB GLU A 73 21.196 12.967 -6.194 1.00 1.00 C ATOM 1146 CG GLU A 73 22.178 14.138 -6.052 1.00 1.00 C ATOM 1147 CD GLU A 73 21.840 15.245 -7.047 1.00 1.00 C ATOM 1148 OE1 GLU A 73 21.695 14.936 -8.219 1.00 1.00 O ATOM 1149 OE2 GLU A 73 21.727 16.382 -6.622 1.00 1.00 O ATOM 0 H GLU A 73 20.582 13.470 -3.837 1.00 1.00 H new ATOM 0 HA GLU A 73 19.501 14.281 -6.376 1.00 1.00 H new ATOM 0 HB2 GLU A 73 21.519 12.133 -5.571 1.00 1.00 H new ATOM 0 HB3 GLU A 73 21.188 12.611 -7.224 1.00 1.00 H new ATOM 0 HG2 GLU A 73 22.140 14.531 -5.036 1.00 1.00 H new ATOM 0 HG3 GLU A 73 23.197 13.788 -6.221 1.00 1.00 H new ATOM 1156 N LEU A 74 18.721 11.327 -5.130 1.00 1.00 N ATOM 1157 CA LEU A 74 17.815 10.188 -5.280 1.00 1.00 C ATOM 1158 C LEU A 74 16.358 10.594 -5.114 1.00 1.00 C ATOM 1159 O LEU A 74 15.499 10.084 -5.826 1.00 1.00 O ATOM 1160 CB LEU A 74 18.163 9.096 -4.246 1.00 1.00 C ATOM 1161 CG LEU A 74 19.401 8.296 -4.699 1.00 1.00 C ATOM 1162 CD1 LEU A 74 19.095 7.463 -5.973 1.00 1.00 C ATOM 1163 CD2 LEU A 74 20.569 9.278 -4.952 1.00 1.00 C ATOM 0 H LEU A 74 19.277 11.314 -4.275 1.00 1.00 H new ATOM 0 HA LEU A 74 17.944 9.801 -6.291 1.00 1.00 H new ATOM 0 HB2 LEU A 74 18.354 9.554 -3.275 1.00 1.00 H new ATOM 0 HB3 LEU A 74 17.315 8.423 -4.120 1.00 1.00 H new ATOM 0 HG LEU A 74 19.680 7.594 -3.913 1.00 1.00 H new ATOM 0 HD11 LEU A 74 19.986 6.910 -6.269 1.00 1.00 H new ATOM 0 HD12 LEU A 74 18.286 6.763 -5.764 1.00 1.00 H new ATOM 0 HD13 LEU A 74 18.798 8.131 -6.782 1.00 1.00 H new ATOM 0 HD21 LEU A 74 21.449 8.721 -5.273 1.00 1.00 H new ATOM 0 HD22 LEU A 74 20.286 9.988 -5.729 1.00 1.00 H new ATOM 0 HD23 LEU A 74 20.796 9.818 -4.033 1.00 1.00 H new ATOM 1175 N LEU A 75 16.090 11.507 -4.176 1.00 1.00 N ATOM 1176 CA LEU A 75 14.718 11.966 -3.919 1.00 1.00 C ATOM 1177 C LEU A 75 13.937 12.128 -5.237 1.00 1.00 C ATOM 1178 O LEU A 75 12.939 11.441 -5.450 1.00 1.00 O ATOM 1179 CB LEU A 75 14.738 13.314 -3.128 1.00 1.00 C ATOM 1180 CG LEU A 75 14.390 13.125 -1.634 1.00 1.00 C ATOM 1181 CD1 LEU A 75 15.527 12.398 -0.903 1.00 1.00 C ATOM 1182 CD2 LEU A 75 14.175 14.503 -0.992 1.00 1.00 C ATOM 0 H LEU A 75 16.798 11.942 -3.585 1.00 1.00 H new ATOM 0 HA LEU A 75 14.212 11.212 -3.316 1.00 1.00 H new ATOM 0 HB2 LEU A 75 15.725 13.768 -3.214 1.00 1.00 H new ATOM 0 HB3 LEU A 75 14.028 14.007 -3.579 1.00 1.00 H new ATOM 0 HG LEU A 75 13.483 12.525 -1.555 1.00 1.00 H new ATOM 0 HD11 LEU A 75 15.264 12.274 0.147 1.00 1.00 H new ATOM 0 HD12 LEU A 75 15.683 11.419 -1.356 1.00 1.00 H new ATOM 0 HD13 LEU A 75 16.443 12.984 -0.981 1.00 1.00 H new ATOM 0 HD21 LEU A 75 13.929 14.379 0.063 1.00 1.00 H new ATOM 0 HD22 LEU A 75 15.086 15.094 -1.085 1.00 1.00 H new ATOM 0 HD23 LEU A 75 13.357 15.016 -1.497 1.00 1.00 H new ATOM 1194 N PRO A 76 14.359 13.007 -6.113 1.00 1.00 N ATOM 1195 CA PRO A 76 13.656 13.223 -7.410 1.00 1.00 C ATOM 1196 C PRO A 76 13.726 11.990 -8.316 1.00 1.00 C ATOM 1197 O PRO A 76 12.897 11.827 -9.211 1.00 1.00 O ATOM 1198 CB PRO A 76 14.407 14.427 -8.028 1.00 1.00 C ATOM 1199 CG PRO A 76 15.775 14.349 -7.430 1.00 1.00 C ATOM 1200 CD PRO A 76 15.547 13.884 -5.993 1.00 1.00 C ATOM 0 HA PRO A 76 12.589 13.406 -7.281 1.00 1.00 H new ATOM 0 HB2 PRO A 76 14.443 14.359 -9.115 1.00 1.00 H new ATOM 0 HB3 PRO A 76 13.918 15.370 -7.783 1.00 1.00 H new ATOM 0 HG2 PRO A 76 16.406 13.649 -7.977 1.00 1.00 H new ATOM 0 HG3 PRO A 76 16.275 15.317 -7.458 1.00 1.00 H new ATOM 0 HD2 PRO A 76 16.409 13.345 -5.601 1.00 1.00 H new ATOM 0 HD3 PRO A 76 15.364 14.723 -5.321 1.00 1.00 H new ATOM 1208 N GLN A 77 14.722 11.129 -8.090 1.00 1.00 N ATOM 1209 CA GLN A 77 14.882 9.927 -8.911 1.00 1.00 C ATOM 1210 C GLN A 77 13.866 8.843 -8.530 1.00 1.00 C ATOM 1211 O GLN A 77 13.146 8.323 -9.381 1.00 1.00 O ATOM 1212 CB GLN A 77 16.303 9.365 -8.736 1.00 1.00 C ATOM 1213 CG GLN A 77 16.607 8.366 -9.858 1.00 1.00 C ATOM 1214 CD GLN A 77 17.982 7.743 -9.648 1.00 1.00 C ATOM 1215 OE1 GLN A 77 18.188 7.002 -8.689 1.00 1.00 O ATOM 1216 NE2 GLN A 77 18.943 8.012 -10.488 1.00 1.00 N ATOM 0 H GLN A 77 15.421 11.239 -7.355 1.00 1.00 H new ATOM 0 HA GLN A 77 14.711 10.210 -9.950 1.00 1.00 H new ATOM 0 HB2 GLN A 77 17.030 10.177 -8.753 1.00 1.00 H new ATOM 0 HB3 GLN A 77 16.394 8.876 -7.766 1.00 1.00 H new ATOM 0 HG2 GLN A 77 15.845 7.586 -9.877 1.00 1.00 H new ATOM 0 HG3 GLN A 77 16.572 8.870 -10.824 1.00 1.00 H new ATOM 0 HE21 GLN A 77 18.768 8.627 -11.283 1.00 1.00 H new ATOM 0 HE22 GLN A 77 19.869 7.607 -10.350 1.00 1.00 H new ATOM 1225 N ILE A 78 13.833 8.507 -7.241 1.00 1.00 N ATOM 1226 CA ILE A 78 12.921 7.472 -6.743 1.00 1.00 C ATOM 1227 C ILE A 78 11.482 7.965 -6.761 1.00 1.00 C ATOM 1228 O ILE A 78 10.565 7.217 -7.099 1.00 1.00 O ATOM 1229 CB ILE A 78 13.324 7.032 -5.328 1.00 1.00 C ATOM 1230 CG1 ILE A 78 13.176 8.213 -4.347 1.00 1.00 C ATOM 1231 CG2 ILE A 78 14.779 6.530 -5.356 1.00 1.00 C ATOM 1232 CD1 ILE A 78 13.739 7.847 -2.967 1.00 1.00 C ATOM 0 H ILE A 78 14.422 8.932 -6.525 1.00 1.00 H new ATOM 0 HA ILE A 78 12.993 6.609 -7.405 1.00 1.00 H new ATOM 0 HB ILE A 78 12.672 6.226 -4.991 1.00 1.00 H new ATOM 0 HG12 ILE A 78 13.699 9.085 -4.739 1.00 1.00 H new ATOM 0 HG13 ILE A 78 12.125 8.486 -4.255 1.00 1.00 H new ATOM 0 HG21 ILE A 78 15.075 6.215 -4.355 1.00 1.00 H new ATOM 0 HG22 ILE A 78 14.859 5.686 -6.041 1.00 1.00 H new ATOM 0 HG23 ILE A 78 15.435 7.333 -5.692 1.00 1.00 H new ATOM 0 HD11 ILE A 78 13.624 8.694 -2.291 1.00 1.00 H new ATOM 0 HD12 ILE A 78 13.197 6.989 -2.569 1.00 1.00 H new ATOM 0 HD13 ILE A 78 14.796 7.597 -3.060 1.00 1.00 H new ATOM 1244 N GLU A 79 11.285 9.226 -6.385 1.00 1.00 N ATOM 1245 CA GLU A 79 9.947 9.802 -6.348 1.00 1.00 C ATOM 1246 C GLU A 79 9.228 9.560 -7.673 1.00 1.00 C ATOM 1247 O GLU A 79 8.007 9.415 -7.711 1.00 1.00 O ATOM 1248 CB GLU A 79 10.039 11.308 -6.073 1.00 1.00 C ATOM 1249 CG GLU A 79 8.635 11.911 -5.957 1.00 1.00 C ATOM 1250 CD GLU A 79 8.727 13.379 -5.547 1.00 1.00 C ATOM 1251 OE1 GLU A 79 9.813 13.932 -5.621 1.00 1.00 O ATOM 1252 OE2 GLU A 79 7.709 13.928 -5.159 1.00 1.00 O ATOM 0 H GLU A 79 12.030 9.863 -6.104 1.00 1.00 H new ATOM 0 HA GLU A 79 9.380 9.323 -5.550 1.00 1.00 H new ATOM 0 HB2 GLU A 79 10.595 11.484 -5.152 1.00 1.00 H new ATOM 0 HB3 GLU A 79 10.588 11.799 -6.876 1.00 1.00 H new ATOM 0 HG2 GLU A 79 8.113 11.823 -6.910 1.00 1.00 H new ATOM 0 HG3 GLU A 79 8.052 11.356 -5.222 1.00 1.00 H new ATOM 1259 N ASN A 80 9.997 9.507 -8.756 1.00 1.00 N ATOM 1260 CA ASN A 80 9.421 9.270 -10.072 1.00 1.00 C ATOM 1261 C ASN A 80 8.782 7.882 -10.130 1.00 1.00 C ATOM 1262 O ASN A 80 7.713 7.708 -10.714 1.00 1.00 O ATOM 1263 CB ASN A 80 10.506 9.390 -11.148 1.00 1.00 C ATOM 1264 CG ASN A 80 11.005 10.832 -11.237 1.00 1.00 C ATOM 1265 OD1 ASN A 80 12.010 11.099 -11.894 1.00 1.00 O ATOM 1266 ND2 ASN A 80 10.370 11.781 -10.602 1.00 1.00 N ATOM 0 H ASN A 80 11.010 9.624 -8.748 1.00 1.00 H new ATOM 0 HA ASN A 80 8.651 10.019 -10.256 1.00 1.00 H new ATOM 0 HB2 ASN A 80 11.336 8.724 -10.913 1.00 1.00 H new ATOM 0 HB3 ASN A 80 10.108 9.075 -12.113 1.00 1.00 H new ATOM 0 HD21 ASN A 80 10.708 12.742 -10.651 1.00 1.00 H new ATOM 0 HD22 ASN A 80 9.536 11.561 -10.057 1.00 1.00 H new ATOM 1273 N THR A 81 9.439 6.897 -9.517 1.00 1.00 N ATOM 1274 CA THR A 81 8.920 5.538 -9.513 1.00 1.00 C ATOM 1275 C THR A 81 7.547 5.493 -8.845 1.00 1.00 C ATOM 1276 O THR A 81 6.599 4.926 -9.389 1.00 1.00 O ATOM 1277 CB THR A 81 9.890 4.630 -8.751 1.00 1.00 C ATOM 1278 OG1 THR A 81 11.203 4.833 -9.246 1.00 1.00 O ATOM 1279 CG2 THR A 81 9.496 3.166 -8.938 1.00 1.00 C ATOM 0 H THR A 81 10.323 7.017 -9.022 1.00 1.00 H new ATOM 0 HA THR A 81 8.819 5.194 -10.542 1.00 1.00 H new ATOM 0 HB THR A 81 9.852 4.874 -7.689 1.00 1.00 H new ATOM 0 HG1 THR A 81 11.851 4.673 -8.529 1.00 1.00 H new ATOM 0 HG21 THR A 81 10.192 2.529 -8.392 1.00 1.00 H new ATOM 0 HG22 THR A 81 8.487 3.009 -8.558 1.00 1.00 H new ATOM 0 HG23 THR A 81 9.528 2.913 -9.998 1.00 1.00 H new ATOM 1287 N PHE A 82 7.447 6.106 -7.668 1.00 1.00 N ATOM 1288 CA PHE A 82 6.186 6.143 -6.935 1.00 1.00 C ATOM 1289 C PHE A 82 5.176 7.033 -7.651 1.00 1.00 C ATOM 1290 O PHE A 82 3.980 6.744 -7.671 1.00 1.00 O ATOM 1291 CB PHE A 82 6.419 6.675 -5.519 1.00 1.00 C ATOM 1292 CG PHE A 82 7.298 5.704 -4.758 1.00 1.00 C ATOM 1293 CD1 PHE A 82 6.723 4.616 -4.094 1.00 1.00 C ATOM 1294 CD2 PHE A 82 8.685 5.891 -4.724 1.00 1.00 C ATOM 1295 CE1 PHE A 82 7.534 3.713 -3.396 1.00 1.00 C ATOM 1296 CE2 PHE A 82 9.496 4.990 -4.025 1.00 1.00 C ATOM 1297 CZ PHE A 82 8.921 3.900 -3.362 1.00 1.00 C ATOM 0 H PHE A 82 8.221 6.582 -7.204 1.00 1.00 H new ATOM 0 HA PHE A 82 5.790 5.129 -6.883 1.00 1.00 H new ATOM 0 HB2 PHE A 82 6.892 7.656 -5.560 1.00 1.00 H new ATOM 0 HB3 PHE A 82 5.467 6.801 -5.004 1.00 1.00 H new ATOM 0 HD1 PHE A 82 5.653 4.472 -4.120 1.00 1.00 H new ATOM 0 HD2 PHE A 82 9.129 6.731 -5.237 1.00 1.00 H new ATOM 0 HE1 PHE A 82 7.090 2.872 -2.884 1.00 1.00 H new ATOM 0 HE2 PHE A 82 10.566 5.136 -3.997 1.00 1.00 H new ATOM 0 HZ PHE A 82 9.547 3.203 -2.824 1.00 1.00 H new ATOM 1307 N ALA A 83 5.666 8.126 -8.225 1.00 1.00 N ATOM 1308 CA ALA A 83 4.794 9.059 -8.926 1.00 1.00 C ATOM 1309 C ALA A 83 4.068 8.361 -10.069 1.00 1.00 C ATOM 1310 O ALA A 83 2.872 8.568 -10.277 1.00 1.00 O ATOM 1311 CB ALA A 83 5.610 10.228 -9.481 1.00 1.00 C ATOM 0 H ALA A 83 6.652 8.386 -8.219 1.00 1.00 H new ATOM 0 HA ALA A 83 4.057 9.435 -8.216 1.00 1.00 H new ATOM 0 HB1 ALA A 83 4.948 10.919 -10.003 1.00 1.00 H new ATOM 0 HB2 ALA A 83 6.104 10.749 -8.661 1.00 1.00 H new ATOM 0 HB3 ALA A 83 6.361 9.851 -10.175 1.00 1.00 H new ATOM 1317 N LYS A 84 4.798 7.537 -10.812 1.00 1.00 N ATOM 1318 CA LYS A 84 4.209 6.820 -11.936 1.00 1.00 C ATOM 1319 C LYS A 84 3.108 5.878 -11.459 1.00 1.00 C ATOM 1320 O LYS A 84 1.949 6.016 -11.847 1.00 1.00 O ATOM 1321 CB LYS A 84 5.296 6.016 -12.653 1.00 1.00 C ATOM 1322 CG LYS A 84 4.721 5.373 -13.920 1.00 1.00 C ATOM 1323 CD LYS A 84 5.845 4.707 -14.731 1.00 1.00 C ATOM 1324 CE LYS A 84 6.468 3.537 -13.949 1.00 1.00 C ATOM 1325 NZ LYS A 84 7.212 2.657 -14.892 1.00 1.00 N ATOM 0 H LYS A 84 5.789 7.350 -10.659 1.00 1.00 H new ATOM 0 HA LYS A 84 3.771 7.545 -12.622 1.00 1.00 H new ATOM 0 HB2 LYS A 84 6.131 6.667 -12.912 1.00 1.00 H new ATOM 0 HB3 LYS A 84 5.687 5.245 -11.989 1.00 1.00 H new ATOM 0 HG2 LYS A 84 3.968 4.632 -13.652 1.00 1.00 H new ATOM 0 HG3 LYS A 84 4.223 6.129 -14.527 1.00 1.00 H new ATOM 0 HD2 LYS A 84 5.449 4.345 -15.680 1.00 1.00 H new ATOM 0 HD3 LYS A 84 6.614 5.443 -14.966 1.00 1.00 H new ATOM 0 HE2 LYS A 84 7.140 3.916 -13.179 1.00 1.00 H new ATOM 0 HE3 LYS A 84 5.689 2.969 -13.440 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 7.635 1.865 -14.367 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 6.558 2.287 -15.611 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 7.964 3.204 -15.358 1.00 1.00 H new