USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 753 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 77 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 78 ASN : amide:sc= -5.29! C(o=-5.3!,f=-4.9!) USER MOD Set 2.1: A 49 LYS NZ :NH3+ -111:sc= -2.22 (180deg=-2.76!) USER MOD Set 2.2: A 82 GLN : amide:sc= -2.32 K(o=-4.5,f=-1.4) USER MOD Single : A 4 GLN : amide:sc= -1.86! C(o=-1.9!,f=-4!) USER MOD Single : A 6 THR OG1 : rot -170:sc= -0.221 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -7.33! C(o=-7.3!,f=-2.6!) USER MOD Single : A 16 GLN : amide:sc= -0.104 K(o=-0.1,f=-0.69) USER MOD Single : A 19 ASN : amide:sc= -2.29! C(o=-2.3!,f=-8.7!) USER MOD Single : A 21 LYS NZ :NH3+ -111:sc= -1.63 (180deg=-4.29!) USER MOD Single : A 23 LYS NZ :NH3+ -163:sc= -0.767 (180deg=-1.62!) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 36 SER OG : rot -70:sc= -2.06! USER MOD Single : A 37 GLN : amide:sc= -1.37 K(o=-1.4,f=-5.2!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0772 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.076 K(o=-0.076,f=-2.2!) USER MOD Single : A 63 GLN : amide:sc= -4.42! K(o=-4.4!,f=-0.8) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 110:sc= -0.806! USER MOD Single : A 71 SER OG : rot -70:sc= 1.06 USER MOD Single : A 84 GLN : amide:sc= -1.03 K(o=-1,f=-1.8!) USER MOD Single : A 86 ASN : amide:sc= -0.0709 X(o=-0.071,f=-0.05) USER MOD Single : A 87 LYS NZ :NH3+ -160:sc= -0.0677 (180deg=-0.571) USER MOD Single : A 88 ASN : amide:sc= -0.717 K(o=-0.72,f=-0.036) USER MOD Single : A 89 SER OG : rot 31:sc= -0.0349 USER MOD Single : A 90 SER OG : rot 150:sc= -0.354 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N PRO A 3 -8.276 11.291 -12.828 1.00 0.00 N ATOM 36 CA PRO A 3 -8.448 10.297 -11.728 1.00 0.00 C ATOM 37 C PRO A 3 -8.600 10.967 -10.359 1.00 0.00 C ATOM 38 O PRO A 3 -8.221 12.106 -10.164 1.00 0.00 O ATOM 39 CB PRO A 3 -7.165 9.456 -11.792 1.00 0.00 C ATOM 40 CG PRO A 3 -6.140 10.363 -12.400 1.00 0.00 C ATOM 41 CD PRO A 3 -6.899 11.286 -13.360 1.00 0.00 C ATOM 0 HA PRO A 3 -9.355 9.705 -11.851 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -6.860 9.124 -10.799 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.309 8.561 -12.397 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -5.626 10.940 -11.631 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -5.380 9.790 -12.931 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -6.471 12.289 -13.373 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -6.867 10.912 -14.383 1.00 0.00 H new ATOM 49 N GLN A 4 -9.160 10.266 -9.411 1.00 0.00 N ATOM 50 CA GLN A 4 -9.347 10.850 -8.056 1.00 0.00 C ATOM 51 C GLN A 4 -8.040 10.741 -7.266 1.00 0.00 C ATOM 52 O GLN A 4 -7.600 9.662 -6.904 1.00 0.00 O ATOM 53 CB GLN A 4 -10.457 10.083 -7.335 1.00 0.00 C ATOM 54 CG GLN A 4 -11.795 10.360 -8.027 1.00 0.00 C ATOM 55 CD GLN A 4 -11.832 9.641 -9.378 1.00 0.00 C ATOM 56 OE1 GLN A 4 -11.402 8.511 -9.491 1.00 0.00 O ATOM 57 NE2 GLN A 4 -12.330 10.257 -10.417 1.00 0.00 N ATOM 0 H GLN A 4 -9.497 9.309 -9.519 1.00 0.00 H new ATOM 0 HA GLN A 4 -9.623 11.901 -8.139 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -10.243 9.014 -7.346 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -10.505 10.387 -6.289 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -12.618 10.019 -7.399 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -11.927 11.432 -8.170 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -12.691 11.206 -10.322 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -12.358 9.789 -11.323 1.00 0.00 H new ATOM 66 N LEU A 5 -7.411 11.859 -6.999 1.00 0.00 N ATOM 67 CA LEU A 5 -6.126 11.844 -6.241 1.00 0.00 C ATOM 68 C LEU A 5 -6.408 11.991 -4.750 1.00 0.00 C ATOM 69 O LEU A 5 -7.191 12.823 -4.336 1.00 0.00 O ATOM 70 CB LEU A 5 -5.257 13.013 -6.705 1.00 0.00 C ATOM 71 CG LEU A 5 -5.047 12.929 -8.221 1.00 0.00 C ATOM 72 CD1 LEU A 5 -4.217 14.129 -8.686 1.00 0.00 C ATOM 73 CD2 LEU A 5 -4.315 11.622 -8.578 1.00 0.00 C ATOM 0 H LEU A 5 -7.736 12.785 -7.276 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.609 10.901 -6.421 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -5.733 13.958 -6.446 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.295 12.990 -6.193 1.00 0.00 H new ATOM 0 HG LEU A 5 -6.016 12.940 -8.720 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.066 14.071 -9.764 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.743 15.052 -8.442 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.250 14.119 -8.183 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -4.169 11.570 -9.657 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.346 11.600 -8.080 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.911 10.770 -8.250 1.00 0.00 H new ATOM 85 N THR A 6 -5.772 11.181 -3.943 1.00 0.00 N ATOM 86 CA THR A 6 -5.984 11.243 -2.463 1.00 0.00 C ATOM 87 C THR A 6 -4.634 11.375 -1.763 1.00 0.00 C ATOM 88 O THR A 6 -3.631 10.858 -2.216 1.00 0.00 O ATOM 89 CB THR A 6 -6.688 9.971 -1.998 1.00 0.00 C ATOM 90 OG1 THR A 6 -7.917 9.838 -2.698 1.00 0.00 O ATOM 91 CG2 THR A 6 -6.963 10.064 -0.498 1.00 0.00 C ATOM 0 H THR A 6 -5.107 10.471 -4.249 1.00 0.00 H new ATOM 0 HA THR A 6 -6.602 12.106 -2.216 1.00 0.00 H new ATOM 0 HB THR A 6 -6.057 9.105 -2.197 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.446 9.117 -2.297 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.466 9.157 -0.163 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.021 10.176 0.038 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.599 10.926 -0.297 1.00 0.00 H new ATOM 99 N LYS A 7 -4.599 12.079 -0.664 1.00 0.00 N ATOM 100 CA LYS A 7 -3.317 12.276 0.072 1.00 0.00 C ATOM 101 C LYS A 7 -3.176 11.224 1.170 1.00 0.00 C ATOM 102 O LYS A 7 -4.144 10.777 1.751 1.00 0.00 O ATOM 103 CB LYS A 7 -3.328 13.665 0.712 1.00 0.00 C ATOM 104 CG LYS A 7 -3.541 14.738 -0.364 1.00 0.00 C ATOM 105 CD LYS A 7 -2.346 14.767 -1.324 1.00 0.00 C ATOM 106 CE LYS A 7 -2.335 16.090 -2.088 1.00 0.00 C ATOM 107 NZ LYS A 7 -1.166 16.115 -3.011 1.00 0.00 N ATOM 0 H LYS A 7 -5.410 12.530 -0.241 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.482 12.182 -0.622 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.121 13.724 1.458 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.387 13.842 1.232 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.457 14.532 -0.918 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.665 15.714 0.105 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.416 14.649 -0.767 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.407 13.932 -2.022 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.261 16.205 -2.652 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.280 16.926 -1.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.155 17.014 -3.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.288 16.023 -2.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.238 15.325 -3.684 1.00 0.00 H new ATOM 121 N ILE A 8 -1.966 10.826 1.451 1.00 0.00 N ATOM 122 CA ILE A 8 -1.739 9.792 2.497 1.00 0.00 C ATOM 123 C ILE A 8 -2.339 10.274 3.819 1.00 0.00 C ATOM 124 O ILE A 8 -2.993 9.532 4.525 1.00 0.00 O ATOM 125 CB ILE A 8 -0.226 9.592 2.673 1.00 0.00 C ATOM 126 CG1 ILE A 8 0.358 8.930 1.419 1.00 0.00 C ATOM 127 CG2 ILE A 8 0.046 8.705 3.889 1.00 0.00 C ATOM 128 CD1 ILE A 8 1.891 8.980 1.471 1.00 0.00 C ATOM 0 H ILE A 8 -1.121 11.175 0.998 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.209 8.853 2.203 1.00 0.00 H new ATOM 0 HB ILE A 8 0.244 10.564 2.824 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.021 7.896 1.352 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.002 9.441 0.526 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.121 8.568 4.006 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -0.359 9.179 4.783 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -0.430 7.735 3.745 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.301 8.508 0.578 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.220 10.018 1.517 1.00 0.00 H new ATOM 0 HD13 ILE A 8 2.243 8.449 2.356 1.00 0.00 H new ATOM 140 N VAL A 9 -2.128 11.514 4.149 1.00 0.00 N ATOM 141 CA VAL A 9 -2.685 12.060 5.419 1.00 0.00 C ATOM 142 C VAL A 9 -4.215 12.071 5.342 1.00 0.00 C ATOM 143 O VAL A 9 -4.894 12.368 6.307 1.00 0.00 O ATOM 144 CB VAL A 9 -2.170 13.486 5.619 1.00 0.00 C ATOM 145 CG1 VAL A 9 -2.709 14.388 4.506 1.00 0.00 C ATOM 146 CG2 VAL A 9 -2.635 14.020 6.977 1.00 0.00 C ATOM 0 H VAL A 9 -1.591 12.179 3.592 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.372 11.437 6.257 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.080 13.480 5.587 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.341 15.404 4.650 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.372 14.014 3.539 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.799 14.390 4.535 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.265 15.036 7.114 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.724 14.022 7.013 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.247 13.382 7.771 1.00 0.00 H new ATOM 156 N ASP A 10 -4.765 11.747 4.198 1.00 0.00 N ATOM 157 CA ASP A 10 -6.252 11.730 4.038 1.00 0.00 C ATOM 158 C ASP A 10 -6.745 10.281 4.045 1.00 0.00 C ATOM 159 O ASP A 10 -7.907 10.009 3.806 1.00 0.00 O ATOM 160 CB ASP A 10 -6.616 12.392 2.707 1.00 0.00 C ATOM 161 CG ASP A 10 -8.133 12.553 2.609 1.00 0.00 C ATOM 162 OD1 ASP A 10 -8.684 13.291 3.410 1.00 0.00 O ATOM 163 OD2 ASP A 10 -8.717 11.935 1.736 1.00 0.00 O ATOM 0 H ASP A 10 -4.242 11.491 3.360 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.722 12.274 4.858 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.132 13.365 2.630 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.251 11.787 1.877 1.00 0.00 H new ATOM 168 N ILE A 11 -5.871 9.347 4.317 1.00 0.00 N ATOM 169 CA ILE A 11 -6.283 7.912 4.343 1.00 0.00 C ATOM 170 C ILE A 11 -6.784 7.542 5.742 1.00 0.00 C ATOM 171 O ILE A 11 -6.044 7.558 6.704 1.00 0.00 O ATOM 172 CB ILE A 11 -5.078 7.031 3.981 1.00 0.00 C ATOM 173 CG1 ILE A 11 -4.685 7.278 2.518 1.00 0.00 C ATOM 174 CG2 ILE A 11 -5.436 5.554 4.177 1.00 0.00 C ATOM 175 CD1 ILE A 11 -3.381 6.541 2.203 1.00 0.00 C ATOM 0 H ILE A 11 -4.887 9.517 4.523 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.084 7.753 3.621 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.239 7.283 4.630 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.478 6.933 1.855 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.563 8.346 2.340 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.577 4.934 3.919 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.709 5.381 5.218 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.277 5.295 3.534 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.105 6.718 1.164 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.589 6.907 2.856 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.519 5.472 2.364 1.00 0.00 H new ATOM 187 N VAL A 12 -8.041 7.199 5.858 1.00 0.00 N ATOM 188 CA VAL A 12 -8.597 6.812 7.188 1.00 0.00 C ATOM 189 C VAL A 12 -9.722 5.794 6.996 1.00 0.00 C ATOM 190 O VAL A 12 -10.385 5.409 7.940 1.00 0.00 O ATOM 191 CB VAL A 12 -9.122 8.051 7.921 1.00 0.00 C ATOM 192 CG1 VAL A 12 -7.948 8.981 8.229 1.00 0.00 C ATOM 193 CG2 VAL A 12 -10.137 8.791 7.047 1.00 0.00 C ATOM 0 H VAL A 12 -8.708 7.170 5.087 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.808 6.362 7.790 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.610 7.742 8.846 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.312 9.866 8.751 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.226 8.460 8.858 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.467 9.281 7.298 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.503 9.669 7.579 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.659 9.102 6.118 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.973 8.129 6.821 1.00 0.00 H new ATOM 203 N GLU A 13 -9.939 5.348 5.778 1.00 0.00 N ATOM 204 CA GLU A 13 -11.017 4.342 5.508 1.00 0.00 C ATOM 205 C GLU A 13 -10.411 3.134 4.781 1.00 0.00 C ATOM 206 O GLU A 13 -9.810 3.266 3.733 1.00 0.00 O ATOM 207 CB GLU A 13 -12.097 4.982 4.635 1.00 0.00 C ATOM 208 CG GLU A 13 -13.235 3.982 4.433 1.00 0.00 C ATOM 209 CD GLU A 13 -14.359 4.641 3.633 1.00 0.00 C ATOM 210 OE1 GLU A 13 -14.348 5.856 3.522 1.00 0.00 O ATOM 211 OE2 GLU A 13 -15.213 3.919 3.145 1.00 0.00 O ATOM 0 H GLU A 13 -9.411 5.641 4.955 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.460 4.013 6.448 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.473 5.889 5.107 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.678 5.274 3.672 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -12.869 3.100 3.907 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.612 3.644 5.398 1.00 0.00 H new ATOM 218 N ASN A 14 -10.559 1.960 5.342 1.00 0.00 N ATOM 219 CA ASN A 14 -9.989 0.739 4.708 1.00 0.00 C ATOM 220 C ASN A 14 -10.930 0.230 3.615 1.00 0.00 C ATOM 221 O ASN A 14 -12.132 0.404 3.681 1.00 0.00 O ATOM 222 CB ASN A 14 -9.806 -0.343 5.780 1.00 0.00 C ATOM 223 CG ASN A 14 -9.481 -1.683 5.116 1.00 0.00 C ATOM 224 OD1 ASN A 14 -9.883 -2.726 5.593 1.00 0.00 O ATOM 225 ND2 ASN A 14 -8.770 -1.699 4.025 1.00 0.00 N ATOM 0 H ASN A 14 -11.055 1.797 6.219 1.00 0.00 H new ATOM 0 HA ASN A 14 -9.025 0.978 4.258 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -9.003 -0.060 6.461 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -10.714 -0.433 6.377 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -8.551 -2.586 3.572 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -8.432 -0.824 3.624 1.00 0.00 H new ATOM 232 N GLY A 15 -10.384 -0.405 2.612 1.00 0.00 N ATOM 233 CA GLY A 15 -11.229 -0.939 1.510 1.00 0.00 C ATOM 234 C GLY A 15 -11.643 0.208 0.594 1.00 0.00 C ATOM 235 O GLY A 15 -12.595 0.102 -0.154 1.00 0.00 O ATOM 0 H GLY A 15 -9.384 -0.576 2.510 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.678 -1.691 0.945 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -12.112 -1.431 1.918 1.00 0.00 H new ATOM 239 N GLN A 16 -10.937 1.307 0.649 1.00 0.00 N ATOM 240 CA GLN A 16 -11.288 2.473 -0.214 1.00 0.00 C ATOM 241 C GLN A 16 -10.432 2.465 -1.482 1.00 0.00 C ATOM 242 O GLN A 16 -9.273 2.095 -1.463 1.00 0.00 O ATOM 243 CB GLN A 16 -11.046 3.770 0.563 1.00 0.00 C ATOM 244 CG GLN A 16 -11.401 4.963 -0.325 1.00 0.00 C ATOM 245 CD GLN A 16 -11.369 6.248 0.504 1.00 0.00 C ATOM 246 OE1 GLN A 16 -12.056 6.362 1.499 1.00 0.00 O ATOM 247 NE2 GLN A 16 -10.585 7.225 0.139 1.00 0.00 N ATOM 0 H GLN A 16 -10.130 1.447 1.257 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.338 2.406 -0.497 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.652 3.783 1.469 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -10.004 3.832 0.875 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -10.696 5.035 -1.153 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -12.391 4.824 -0.760 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -10.007 7.131 -0.696 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.550 8.083 0.689 1.00 0.00 H new ATOM 256 N TRP A 17 -11.004 2.873 -2.589 1.00 0.00 N ATOM 257 CA TRP A 17 -10.251 2.902 -3.880 1.00 0.00 C ATOM 258 C TRP A 17 -9.827 4.338 -4.194 1.00 0.00 C ATOM 259 O TRP A 17 -10.625 5.254 -4.164 1.00 0.00 O ATOM 260 CB TRP A 17 -11.156 2.378 -4.996 1.00 0.00 C ATOM 261 CG TRP A 17 -11.382 0.913 -4.801 1.00 0.00 C ATOM 262 CD1 TRP A 17 -12.384 0.368 -4.072 1.00 0.00 C ATOM 263 CD2 TRP A 17 -10.609 -0.202 -5.329 1.00 0.00 C ATOM 264 NE1 TRP A 17 -12.274 -1.010 -4.122 1.00 0.00 N ATOM 265 CE2 TRP A 17 -11.196 -1.410 -4.885 1.00 0.00 C ATOM 266 CE3 TRP A 17 -9.466 -0.280 -6.145 1.00 0.00 C ATOM 267 CZ2 TRP A 17 -10.668 -2.653 -5.238 1.00 0.00 C ATOM 268 CZ3 TRP A 17 -8.932 -1.529 -6.503 1.00 0.00 C ATOM 269 CH2 TRP A 17 -9.531 -2.713 -6.050 1.00 0.00 C ATOM 0 H TRP A 17 -11.971 3.190 -2.652 1.00 0.00 H new ATOM 0 HA TRP A 17 -9.362 2.276 -3.803 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -12.108 2.909 -4.988 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -10.698 2.561 -5.968 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -13.145 0.919 -3.539 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -12.912 -1.652 -3.652 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -8.996 0.626 -6.498 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -11.134 -3.562 -4.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -8.055 -1.578 -7.131 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -9.115 -3.670 -6.328 1.00 0.00 H new ATOM 280 N ALA A 18 -8.577 4.535 -4.509 1.00 0.00 N ATOM 281 CA ALA A 18 -8.099 5.904 -4.850 1.00 0.00 C ATOM 282 C ALA A 18 -6.757 5.819 -5.578 1.00 0.00 C ATOM 283 O ALA A 18 -6.253 4.743 -5.846 1.00 0.00 O ATOM 284 CB ALA A 18 -7.941 6.729 -3.574 1.00 0.00 C ATOM 0 H ALA A 18 -7.865 3.806 -4.545 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.829 6.385 -5.501 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.591 7.729 -3.829 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.902 6.799 -3.065 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.217 6.248 -2.917 1.00 0.00 H new ATOM 290 N ASN A 19 -6.168 6.952 -5.879 1.00 0.00 N ATOM 291 CA ASN A 19 -4.838 6.968 -6.564 1.00 0.00 C ATOM 292 C ASN A 19 -3.848 7.754 -5.714 1.00 0.00 C ATOM 293 O ASN A 19 -4.211 8.699 -5.040 1.00 0.00 O ATOM 294 CB ASN A 19 -4.973 7.632 -7.926 1.00 0.00 C ATOM 295 CG ASN A 19 -5.754 6.705 -8.853 1.00 0.00 C ATOM 296 OD1 ASN A 19 -6.167 5.633 -8.455 1.00 0.00 O ATOM 297 ND2 ASN A 19 -5.957 7.065 -10.082 1.00 0.00 N ATOM 0 H ASN A 19 -6.556 7.874 -5.677 1.00 0.00 H new ATOM 0 HA ASN A 19 -4.482 5.946 -6.695 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.486 8.589 -7.830 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -3.988 7.840 -8.343 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.464 6.448 -10.717 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -5.610 7.965 -10.414 1.00 0.00 H new ATOM 304 N LEU A 20 -2.594 7.372 -5.732 1.00 0.00 N ATOM 305 CA LEU A 20 -1.575 8.102 -4.916 1.00 0.00 C ATOM 306 C LEU A 20 -0.243 8.177 -5.664 1.00 0.00 C ATOM 307 O LEU A 20 0.247 7.194 -6.182 1.00 0.00 O ATOM 308 CB LEU A 20 -1.362 7.369 -3.583 1.00 0.00 C ATOM 309 CG LEU A 20 -0.232 8.046 -2.787 1.00 0.00 C ATOM 310 CD1 LEU A 20 -0.555 9.535 -2.582 1.00 0.00 C ATOM 311 CD2 LEU A 20 -0.092 7.359 -1.426 1.00 0.00 C ATOM 0 H LEU A 20 -2.233 6.588 -6.275 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.937 9.113 -4.732 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.284 7.378 -3.002 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.112 6.324 -3.768 1.00 0.00 H new ATOM 0 HG LEU A 20 0.703 7.958 -3.341 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.249 10.007 -2.018 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.653 10.023 -3.552 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.490 9.632 -2.031 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.707 7.835 -0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.029 7.446 -0.876 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.145 6.305 -1.573 1.00 0.00 H new ATOM 323 N LYS A 21 0.358 9.344 -5.689 1.00 0.00 N ATOM 324 CA LYS A 21 1.679 9.515 -6.364 1.00 0.00 C ATOM 325 C LYS A 21 2.745 9.746 -5.288 1.00 0.00 C ATOM 326 O LYS A 21 2.582 10.563 -4.403 1.00 0.00 O ATOM 327 CB LYS A 21 1.624 10.727 -7.292 1.00 0.00 C ATOM 328 CG LYS A 21 2.898 10.774 -8.139 1.00 0.00 C ATOM 329 CD LYS A 21 2.949 12.093 -8.918 1.00 0.00 C ATOM 330 CE LYS A 21 1.869 12.114 -10.006 1.00 0.00 C ATOM 331 NZ LYS A 21 0.566 12.514 -9.403 1.00 0.00 N ATOM 0 H LYS A 21 -0.017 10.192 -5.265 1.00 0.00 H new ATOM 0 HA LYS A 21 1.920 8.627 -6.949 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.747 10.666 -7.937 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.528 11.642 -6.708 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.776 10.684 -7.499 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.919 9.931 -8.830 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.804 12.931 -8.236 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.933 12.217 -9.371 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.146 12.812 -10.796 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.782 11.130 -10.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.082 11.700 -9.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.719 12.832 -8.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.150 13.289 -9.958 1.00 0.00 H new ATOM 345 N ALA A 22 3.833 9.028 -5.360 1.00 0.00 N ATOM 346 CA ALA A 22 4.906 9.200 -4.333 1.00 0.00 C ATOM 347 C ALA A 22 6.253 8.693 -4.860 1.00 0.00 C ATOM 348 O ALA A 22 6.329 7.910 -5.786 1.00 0.00 O ATOM 349 CB ALA A 22 4.537 8.422 -3.070 1.00 0.00 C ATOM 0 H ALA A 22 4.027 8.333 -6.081 1.00 0.00 H new ATOM 0 HA ALA A 22 4.995 10.262 -4.106 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.320 8.549 -2.323 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.594 8.798 -2.674 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.434 7.364 -3.311 1.00 0.00 H new ATOM 355 N LYS A 23 7.309 9.153 -4.254 1.00 0.00 N ATOM 356 CA LYS A 23 8.680 8.731 -4.684 1.00 0.00 C ATOM 357 C LYS A 23 9.117 7.516 -3.870 1.00 0.00 C ATOM 358 O LYS A 23 8.626 7.279 -2.787 1.00 0.00 O ATOM 359 CB LYS A 23 9.654 9.881 -4.465 1.00 0.00 C ATOM 360 CG LYS A 23 11.025 9.520 -5.047 1.00 0.00 C ATOM 361 CD LYS A 23 11.973 10.727 -4.919 1.00 0.00 C ATOM 362 CE LYS A 23 11.819 11.647 -6.135 1.00 0.00 C ATOM 363 NZ LYS A 23 12.157 10.889 -7.371 1.00 0.00 N ATOM 0 H LYS A 23 7.287 9.808 -3.473 1.00 0.00 H new ATOM 0 HA LYS A 23 8.669 8.467 -5.741 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.275 10.786 -4.939 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.746 10.094 -3.400 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.440 8.661 -4.520 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.923 9.234 -6.094 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.751 11.278 -4.005 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.004 10.383 -4.841 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.798 12.024 -6.193 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.473 12.513 -6.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.336 11.556 -8.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.008 10.315 -7.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.364 10.266 -7.624 1.00 0.00 H new ATOM 377 N VAL A 24 10.027 6.729 -4.388 1.00 0.00 N ATOM 378 CA VAL A 24 10.480 5.515 -3.643 1.00 0.00 C ATOM 379 C VAL A 24 11.774 5.809 -2.882 1.00 0.00 C ATOM 380 O VAL A 24 12.816 6.035 -3.465 1.00 0.00 O ATOM 381 CB VAL A 24 10.720 4.391 -4.650 1.00 0.00 C ATOM 382 CG1 VAL A 24 11.226 3.142 -3.926 1.00 0.00 C ATOM 383 CG2 VAL A 24 9.406 4.070 -5.371 1.00 0.00 C ATOM 0 H VAL A 24 10.475 6.875 -5.293 1.00 0.00 H new ATOM 0 HA VAL A 24 9.716 5.222 -2.923 1.00 0.00 H new ATOM 0 HB VAL A 24 11.469 4.709 -5.375 1.00 0.00 H new ATOM 0 HG11 VAL A 24 11.395 2.345 -4.650 1.00 0.00 H new ATOM 0 HG12 VAL A 24 12.161 3.372 -3.414 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.483 2.818 -3.197 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.572 3.268 -6.091 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.659 3.755 -4.643 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.051 4.959 -5.893 1.00 0.00 H new ATOM 393 N ILE A 25 11.708 5.804 -1.576 1.00 0.00 N ATOM 394 CA ILE A 25 12.924 6.075 -0.755 1.00 0.00 C ATOM 395 C ILE A 25 13.651 4.763 -0.449 1.00 0.00 C ATOM 396 O ILE A 25 14.821 4.754 -0.117 1.00 0.00 O ATOM 397 CB ILE A 25 12.506 6.747 0.553 1.00 0.00 C ATOM 398 CG1 ILE A 25 11.298 6.016 1.147 1.00 0.00 C ATOM 399 CG2 ILE A 25 12.137 8.206 0.279 1.00 0.00 C ATOM 400 CD1 ILE A 25 11.062 6.510 2.574 1.00 0.00 C ATOM 0 H ILE A 25 10.859 5.623 -1.041 1.00 0.00 H new ATOM 0 HA ILE A 25 13.596 6.731 -1.308 1.00 0.00 H new ATOM 0 HB ILE A 25 13.334 6.706 1.261 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.413 6.196 0.536 1.00 0.00 H new ATOM 0 HG13 ILE A 25 11.473 4.940 1.146 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.839 8.687 1.211 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.999 8.727 -0.139 1.00 0.00 H new ATOM 0 HG23 ILE A 25 11.310 8.245 -0.431 1.00 0.00 H new ATOM 0 HD11 ILE A 25 10.203 5.992 3.001 1.00 0.00 H new ATOM 0 HD12 ILE A 25 11.945 6.308 3.180 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.869 7.583 2.560 1.00 0.00 H new ATOM 412 N GLN A 26 12.975 3.655 -0.564 1.00 0.00 N ATOM 413 CA GLN A 26 13.637 2.348 -0.286 1.00 0.00 C ATOM 414 C GLN A 26 12.747 1.204 -0.777 1.00 0.00 C ATOM 415 O GLN A 26 11.548 1.354 -0.924 1.00 0.00 O ATOM 416 CB GLN A 26 13.876 2.204 1.217 1.00 0.00 C ATOM 417 CG GLN A 26 14.583 0.874 1.503 1.00 0.00 C ATOM 418 CD GLN A 26 14.980 0.816 2.980 1.00 0.00 C ATOM 419 OE1 GLN A 26 14.132 0.847 3.851 1.00 0.00 O ATOM 420 NE2 GLN A 26 16.242 0.735 3.302 1.00 0.00 N ATOM 0 H GLN A 26 11.994 3.596 -0.838 1.00 0.00 H new ATOM 0 HA GLN A 26 14.592 2.310 -0.809 1.00 0.00 H new ATOM 0 HB2 GLN A 26 14.482 3.034 1.580 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.927 2.245 1.751 1.00 0.00 H new ATOM 0 HG2 GLN A 26 13.925 0.040 1.259 1.00 0.00 H new ATOM 0 HG3 GLN A 26 15.467 0.777 0.873 1.00 0.00 H new ATOM 0 HE21 GLN A 26 16.954 0.709 2.572 1.00 0.00 H new ATOM 0 HE22 GLN A 26 16.516 0.698 4.284 1.00 0.00 H new ATOM 429 N LEU A 27 13.332 0.059 -1.031 1.00 0.00 N ATOM 430 CA LEU A 27 12.542 -1.118 -1.513 1.00 0.00 C ATOM 431 C LEU A 27 12.968 -2.372 -0.764 1.00 0.00 C ATOM 432 O LEU A 27 14.041 -2.439 -0.195 1.00 0.00 O ATOM 433 CB LEU A 27 12.783 -1.326 -3.007 1.00 0.00 C ATOM 434 CG LEU A 27 12.171 -0.160 -3.799 1.00 0.00 C ATOM 435 CD1 LEU A 27 12.548 -0.296 -5.283 1.00 0.00 C ATOM 436 CD2 LEU A 27 10.632 -0.158 -3.645 1.00 0.00 C ATOM 0 H LEU A 27 14.332 -0.112 -0.924 1.00 0.00 H new ATOM 0 HA LEU A 27 11.484 -0.927 -1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 27 13.853 -1.392 -3.207 1.00 0.00 H new ATOM 0 HB3 LEU A 27 12.340 -2.269 -3.329 1.00 0.00 H new ATOM 0 HG LEU A 27 12.562 0.780 -3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 27 12.114 0.531 -5.846 1.00 0.00 H new ATOM 0 HD12 LEU A 27 13.633 -0.276 -5.386 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.164 -1.240 -5.671 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.211 0.673 -4.211 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.227 -1.097 -4.023 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.372 -0.049 -2.592 1.00 0.00 H new ATOM 448 N TRP A 28 12.130 -3.377 -0.764 1.00 0.00 N ATOM 449 CA TRP A 28 12.473 -4.645 -0.063 1.00 0.00 C ATOM 450 C TRP A 28 11.905 -5.831 -0.848 1.00 0.00 C ATOM 451 O TRP A 28 10.710 -5.960 -1.034 1.00 0.00 O ATOM 452 CB TRP A 28 11.876 -4.627 1.343 1.00 0.00 C ATOM 453 CG TRP A 28 12.413 -5.782 2.120 1.00 0.00 C ATOM 454 CD1 TRP A 28 11.705 -6.879 2.467 1.00 0.00 C ATOM 455 CD2 TRP A 28 13.756 -5.975 2.649 1.00 0.00 C ATOM 456 NE1 TRP A 28 12.527 -7.735 3.177 1.00 0.00 N ATOM 457 CE2 TRP A 28 13.801 -7.221 3.316 1.00 0.00 C ATOM 458 CE3 TRP A 28 14.928 -5.196 2.617 1.00 0.00 C ATOM 459 CZ2 TRP A 28 14.967 -7.681 3.927 1.00 0.00 C ATOM 460 CZ3 TRP A 28 16.104 -5.656 3.232 1.00 0.00 C ATOM 461 CH2 TRP A 28 16.123 -6.895 3.887 1.00 0.00 C ATOM 0 H TRP A 28 11.219 -3.371 -1.223 1.00 0.00 H new ATOM 0 HA TRP A 28 13.556 -4.742 0.006 1.00 0.00 H new ATOM 0 HB2 TRP A 28 12.123 -3.691 1.844 1.00 0.00 H new ATOM 0 HB3 TRP A 28 10.789 -4.683 1.290 1.00 0.00 H new ATOM 0 HD1 TRP A 28 10.667 -7.058 2.229 1.00 0.00 H new ATOM 0 HE1 TRP A 28 12.229 -8.635 3.552 1.00 0.00 H new ATOM 0 HE3 TRP A 28 14.923 -4.239 2.117 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 14.977 -8.638 4.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 16.999 -5.052 3.200 1.00 0.00 H new ATOM 0 HH2 TRP A 28 17.029 -7.242 4.360 1.00 0.00 H new ATOM 472 N GLU A 29 12.763 -6.692 -1.313 1.00 0.00 N ATOM 473 CA GLU A 29 12.296 -7.877 -2.093 1.00 0.00 C ATOM 474 C GLU A 29 11.635 -8.883 -1.153 1.00 0.00 C ATOM 475 O GLU A 29 12.169 -9.205 -0.110 1.00 0.00 O ATOM 476 CB GLU A 29 13.494 -8.538 -2.783 1.00 0.00 C ATOM 477 CG GLU A 29 14.058 -7.602 -3.853 1.00 0.00 C ATOM 478 CD GLU A 29 13.030 -7.408 -4.970 1.00 0.00 C ATOM 479 OE1 GLU A 29 12.160 -8.252 -5.100 1.00 0.00 O ATOM 480 OE2 GLU A 29 13.133 -6.420 -5.678 1.00 0.00 O ATOM 0 H GLU A 29 13.773 -6.629 -1.188 1.00 0.00 H new ATOM 0 HA GLU A 29 11.574 -7.553 -2.843 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.265 -8.772 -2.049 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.189 -9.481 -3.236 1.00 0.00 H new ATOM 0 HG2 GLU A 29 14.312 -6.639 -3.409 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.979 -8.017 -4.263 1.00 0.00 H new ATOM 558 N ILE A 35 3.228 -12.766 -1.672 1.00 0.00 N ATOM 559 CA ILE A 35 3.562 -11.321 -1.844 1.00 0.00 C ATOM 560 C ILE A 35 4.772 -11.186 -2.765 1.00 0.00 C ATOM 561 O ILE A 35 5.703 -11.964 -2.713 1.00 0.00 O ATOM 562 CB ILE A 35 3.882 -10.702 -0.484 1.00 0.00 C ATOM 563 CG1 ILE A 35 2.622 -10.717 0.386 1.00 0.00 C ATOM 564 CG2 ILE A 35 4.345 -9.257 -0.687 1.00 0.00 C ATOM 565 CD1 ILE A 35 2.991 -10.363 1.827 1.00 0.00 C ATOM 0 HA ILE A 35 2.710 -10.802 -2.284 1.00 0.00 H new ATOM 0 HB ILE A 35 4.670 -11.273 0.007 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.893 -10.004 0.001 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.155 -11.701 0.351 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.575 -8.809 0.280 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.237 -9.245 -1.314 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.553 -8.686 -1.172 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.094 -10.374 2.446 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.704 -11.093 2.210 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.438 -9.369 1.854 1.00 0.00 H new ATOM 577 N SER A 36 4.751 -10.201 -3.617 1.00 0.00 N ATOM 578 CA SER A 36 5.884 -9.998 -4.564 1.00 0.00 C ATOM 579 C SER A 36 6.986 -9.177 -3.890 1.00 0.00 C ATOM 580 O SER A 36 8.127 -9.597 -3.800 1.00 0.00 O ATOM 581 CB SER A 36 5.374 -9.232 -5.788 1.00 0.00 C ATOM 582 OG SER A 36 5.390 -7.843 -5.497 1.00 0.00 O ATOM 0 H SER A 36 3.993 -9.523 -3.700 1.00 0.00 H new ATOM 0 HA SER A 36 6.286 -10.967 -4.861 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.001 -9.444 -6.654 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.363 -9.553 -6.040 1.00 0.00 H new ATOM 0 HG SER A 36 4.695 -7.639 -4.837 1.00 0.00 H new ATOM 588 N GLN A 37 6.661 -8.004 -3.421 1.00 0.00 N ATOM 589 CA GLN A 37 7.699 -7.161 -2.767 1.00 0.00 C ATOM 590 C GLN A 37 7.042 -6.096 -1.889 1.00 0.00 C ATOM 591 O GLN A 37 5.866 -5.812 -1.998 1.00 0.00 O ATOM 592 CB GLN A 37 8.546 -6.479 -3.846 1.00 0.00 C ATOM 593 CG GLN A 37 7.666 -5.543 -4.675 1.00 0.00 C ATOM 594 CD GLN A 37 8.465 -4.987 -5.849 1.00 0.00 C ATOM 595 OE1 GLN A 37 8.260 -5.383 -6.977 1.00 0.00 O ATOM 596 NE2 GLN A 37 9.371 -4.075 -5.630 1.00 0.00 N ATOM 0 H GLN A 37 5.727 -7.595 -3.462 1.00 0.00 H new ATOM 0 HA GLN A 37 8.330 -7.793 -2.142 1.00 0.00 H new ATOM 0 HB2 GLN A 37 9.358 -5.917 -3.384 1.00 0.00 H new ATOM 0 HB3 GLN A 37 9.004 -7.229 -4.491 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.791 -6.081 -5.041 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.301 -4.726 -4.053 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.542 -3.743 -4.681 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.909 -3.693 -6.408 1.00 0.00 H new ATOM 605 N VAL A 38 7.816 -5.495 -1.030 1.00 0.00 N ATOM 606 CA VAL A 38 7.275 -4.421 -0.140 1.00 0.00 C ATOM 607 C VAL A 38 8.319 -3.316 0.000 1.00 0.00 C ATOM 608 O VAL A 38 9.490 -3.525 -0.250 1.00 0.00 O ATOM 609 CB VAL A 38 6.951 -5.005 1.237 1.00 0.00 C ATOM 610 CG1 VAL A 38 5.969 -6.166 1.072 1.00 0.00 C ATOM 611 CG2 VAL A 38 8.235 -5.506 1.907 1.00 0.00 C ATOM 0 H VAL A 38 8.807 -5.700 -0.903 1.00 0.00 H new ATOM 0 HA VAL A 38 6.363 -4.010 -0.574 1.00 0.00 H new ATOM 0 HB VAL A 38 6.504 -4.232 1.863 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.735 -6.586 2.050 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.054 -5.805 0.603 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.418 -6.936 0.445 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.996 -5.920 2.887 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.691 -6.278 1.288 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.932 -4.676 2.024 1.00 0.00 H new ATOM 621 N GLY A 39 7.915 -2.144 0.395 1.00 0.00 N ATOM 622 CA GLY A 39 8.906 -1.044 0.546 1.00 0.00 C ATOM 623 C GLY A 39 8.239 0.185 1.159 1.00 0.00 C ATOM 624 O GLY A 39 7.146 0.112 1.693 1.00 0.00 O ATOM 0 H GLY A 39 6.950 -1.900 0.618 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.731 -1.372 1.178 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.330 -0.790 -0.426 1.00 0.00 H new ATOM 628 N LEU A 40 8.902 1.314 1.088 1.00 0.00 N ATOM 629 CA LEU A 40 8.344 2.574 1.669 1.00 0.00 C ATOM 630 C LEU A 40 8.311 3.656 0.600 1.00 0.00 C ATOM 631 O LEU A 40 9.170 3.722 -0.256 1.00 0.00 O ATOM 632 CB LEU A 40 9.236 3.039 2.820 1.00 0.00 C ATOM 633 CG LEU A 40 9.297 1.945 3.916 1.00 0.00 C ATOM 634 CD1 LEU A 40 10.520 1.042 3.697 1.00 0.00 C ATOM 635 CD2 LEU A 40 9.397 2.601 5.298 1.00 0.00 C ATOM 0 H LEU A 40 9.816 1.416 0.647 1.00 0.00 H new ATOM 0 HA LEU A 40 7.334 2.387 2.034 1.00 0.00 H new ATOM 0 HB2 LEU A 40 10.239 3.252 2.451 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.847 3.966 3.241 1.00 0.00 H new ATOM 0 HG LEU A 40 8.390 1.343 3.859 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.552 0.278 4.473 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.449 0.564 2.720 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.428 1.643 3.742 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.440 1.828 6.065 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.299 3.211 5.347 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.523 3.231 5.466 1.00 0.00 H new ATOM 647 N LEU A 41 7.318 4.509 0.648 1.00 0.00 N ATOM 648 CA LEU A 41 7.205 5.604 -0.365 1.00 0.00 C ATOM 649 C LEU A 41 7.431 6.950 0.317 1.00 0.00 C ATOM 650 O LEU A 41 6.846 7.246 1.342 1.00 0.00 O ATOM 651 CB LEU A 41 5.808 5.570 -0.983 1.00 0.00 C ATOM 652 CG LEU A 41 5.536 4.171 -1.540 1.00 0.00 C ATOM 653 CD1 LEU A 41 4.118 4.118 -2.111 1.00 0.00 C ATOM 654 CD2 LEU A 41 6.554 3.836 -2.647 1.00 0.00 C ATOM 0 H LEU A 41 6.577 4.494 1.349 1.00 0.00 H new ATOM 0 HA LEU A 41 7.954 5.465 -1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.060 5.827 -0.233 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.731 6.312 -1.778 1.00 0.00 H new ATOM 0 HG LEU A 41 5.634 3.440 -0.737 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.923 3.122 -2.508 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.400 4.341 -1.322 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.020 4.853 -2.910 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.352 2.838 -3.037 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.468 4.565 -3.453 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.563 3.867 -2.235 1.00 0.00 H new ATOM 666 N GLY A 42 8.288 7.761 -0.250 1.00 0.00 N ATOM 667 CA GLY A 42 8.586 9.096 0.344 1.00 0.00 C ATOM 668 C GLY A 42 7.687 10.160 -0.280 1.00 0.00 C ATOM 669 O GLY A 42 7.931 10.624 -1.377 1.00 0.00 O ATOM 0 H GLY A 42 8.798 7.551 -1.108 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.432 9.065 1.423 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.633 9.351 0.179 1.00 0.00 H new ATOM 673 N ASP A 43 6.649 10.553 0.415 1.00 0.00 N ATOM 674 CA ASP A 43 5.726 11.599 -0.121 1.00 0.00 C ATOM 675 C ASP A 43 5.982 12.922 0.601 1.00 0.00 C ATOM 676 O ASP A 43 6.582 12.964 1.658 1.00 0.00 O ATOM 677 CB ASP A 43 4.276 11.174 0.105 1.00 0.00 C ATOM 678 CG ASP A 43 3.352 12.048 -0.746 1.00 0.00 C ATOM 679 OD1 ASP A 43 3.862 12.919 -1.431 1.00 0.00 O ATOM 680 OD2 ASP A 43 2.154 11.828 -0.704 1.00 0.00 O ATOM 0 H ASP A 43 6.400 10.192 1.336 1.00 0.00 H new ATOM 0 HA ASP A 43 5.905 11.722 -1.189 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.148 10.124 -0.160 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.017 11.271 1.159 1.00 0.00 H new ATOM 685 N GLU A 44 5.523 13.999 0.032 1.00 0.00 N ATOM 686 CA GLU A 44 5.717 15.336 0.657 1.00 0.00 C ATOM 687 C GLU A 44 4.853 15.450 1.914 1.00 0.00 C ATOM 688 O GLU A 44 5.085 16.287 2.765 1.00 0.00 O ATOM 689 CB GLU A 44 5.301 16.411 -0.349 1.00 0.00 C ATOM 690 CG GLU A 44 5.570 17.809 0.228 1.00 0.00 C ATOM 691 CD GLU A 44 4.430 18.220 1.167 1.00 0.00 C ATOM 692 OE1 GLU A 44 3.292 17.899 0.864 1.00 0.00 O ATOM 693 OE2 GLU A 44 4.716 18.850 2.172 1.00 0.00 O ATOM 0 H GLU A 44 5.014 14.010 -0.852 1.00 0.00 H new ATOM 0 HA GLU A 44 6.763 15.467 0.934 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.853 16.281 -1.280 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.243 16.306 -0.588 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.516 17.812 0.769 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.664 18.533 -0.581 1.00 0.00 H new ATOM 700 N THR A 45 3.859 14.613 2.045 1.00 0.00 N ATOM 701 CA THR A 45 2.978 14.674 3.247 1.00 0.00 C ATOM 702 C THR A 45 3.494 13.696 4.303 1.00 0.00 C ATOM 703 O THR A 45 3.051 13.703 5.435 1.00 0.00 O ATOM 704 CB THR A 45 1.551 14.295 2.846 1.00 0.00 C ATOM 705 OG1 THR A 45 1.506 12.917 2.505 1.00 0.00 O ATOM 706 CG2 THR A 45 1.120 15.136 1.642 1.00 0.00 C ATOM 0 H THR A 45 3.619 13.888 1.369 1.00 0.00 H new ATOM 0 HA THR A 45 2.983 15.684 3.657 1.00 0.00 H new ATOM 0 HB THR A 45 0.875 14.484 3.680 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.592 12.673 2.250 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.103 14.867 1.355 1.00 0.00 H new ATOM 0 HG22 THR A 45 1.155 16.193 1.905 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.794 14.948 0.807 1.00 0.00 H new ATOM 714 N GLY A 46 4.436 12.860 3.950 1.00 0.00 N ATOM 715 CA GLY A 46 4.984 11.894 4.947 1.00 0.00 C ATOM 716 C GLY A 46 5.469 10.631 4.236 1.00 0.00 C ATOM 717 O GLY A 46 5.954 10.681 3.122 1.00 0.00 O ATOM 0 H GLY A 46 4.848 12.805 3.018 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.807 12.352 5.495 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.217 11.638 5.678 1.00 0.00 H new ATOM 721 N ILE A 47 5.344 9.497 4.882 1.00 0.00 N ATOM 722 CA ILE A 47 5.797 8.209 4.267 1.00 0.00 C ATOM 723 C ILE A 47 4.714 7.144 4.434 1.00 0.00 C ATOM 724 O ILE A 47 3.842 7.253 5.274 1.00 0.00 O ATOM 725 CB ILE A 47 7.087 7.742 4.951 1.00 0.00 C ATOM 726 CG1 ILE A 47 6.846 7.533 6.452 1.00 0.00 C ATOM 727 CG2 ILE A 47 8.172 8.799 4.757 1.00 0.00 C ATOM 728 CD1 ILE A 47 8.120 6.985 7.096 1.00 0.00 C ATOM 0 H ILE A 47 4.944 9.408 5.816 1.00 0.00 H new ATOM 0 HA ILE A 47 5.984 8.365 3.204 1.00 0.00 H new ATOM 0 HB ILE A 47 7.403 6.798 4.507 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.564 8.475 6.921 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.019 6.840 6.606 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.091 8.470 5.242 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.355 8.941 3.692 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.846 9.741 5.198 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.953 6.835 8.163 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.382 6.034 6.632 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.935 7.695 6.953 1.00 0.00 H new ATOM 740 N ILE A 48 4.771 6.109 3.641 1.00 0.00 N ATOM 741 CA ILE A 48 3.752 5.026 3.755 1.00 0.00 C ATOM 742 C ILE A 48 4.297 3.732 3.145 1.00 0.00 C ATOM 743 O ILE A 48 5.042 3.748 2.186 1.00 0.00 O ATOM 744 CB ILE A 48 2.476 5.442 3.032 1.00 0.00 C ATOM 745 CG1 ILE A 48 1.431 4.334 3.172 1.00 0.00 C ATOM 746 CG2 ILE A 48 2.772 5.687 1.552 1.00 0.00 C ATOM 747 CD1 ILE A 48 0.072 4.851 2.696 1.00 0.00 C ATOM 0 H ILE A 48 5.478 5.966 2.920 1.00 0.00 H new ATOM 0 HA ILE A 48 3.528 4.855 4.808 1.00 0.00 H new ATOM 0 HB ILE A 48 2.094 6.362 3.474 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.727 3.464 2.585 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.365 4.011 4.211 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.856 5.984 1.042 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.514 6.480 1.456 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.158 4.772 1.102 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.673 4.061 2.796 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.224 5.708 3.302 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.143 5.153 1.651 1.00 0.00 H new ATOM 759 N LYS A 49 3.933 2.613 3.708 1.00 0.00 N ATOM 760 CA LYS A 49 4.424 1.302 3.190 1.00 0.00 C ATOM 761 C LYS A 49 3.516 0.812 2.067 1.00 0.00 C ATOM 762 O LYS A 49 2.402 1.286 1.909 1.00 0.00 O ATOM 763 CB LYS A 49 4.418 0.279 4.318 1.00 0.00 C ATOM 764 CG LYS A 49 5.403 0.723 5.399 1.00 0.00 C ATOM 765 CD LYS A 49 5.472 -0.347 6.491 1.00 0.00 C ATOM 766 CE LYS A 49 4.090 -0.528 7.141 1.00 0.00 C ATOM 767 NZ LYS A 49 3.344 -1.591 6.408 1.00 0.00 N ATOM 0 H LYS A 49 3.310 2.549 4.513 1.00 0.00 H new ATOM 0 HA LYS A 49 5.437 1.427 2.807 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.416 0.187 4.737 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.696 -0.704 3.936 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.390 0.880 4.965 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.087 1.675 5.826 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.809 -1.292 6.064 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.203 -0.060 7.247 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.200 -0.801 8.190 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.535 0.410 7.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.549 -1.164 5.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.982 -2.062 5.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.980 -2.290 7.086 1.00 0.00 H new ATOM 781 N PHE A 50 3.953 -0.151 1.285 1.00 0.00 N ATOM 782 CA PHE A 50 3.083 -0.671 0.196 1.00 0.00 C ATOM 783 C PHE A 50 3.501 -2.115 -0.113 1.00 0.00 C ATOM 784 O PHE A 50 4.619 -2.521 0.160 1.00 0.00 O ATOM 785 CB PHE A 50 3.247 0.196 -1.058 1.00 0.00 C ATOM 786 CG PHE A 50 4.584 -0.084 -1.719 1.00 0.00 C ATOM 787 CD1 PHE A 50 5.750 0.514 -1.231 1.00 0.00 C ATOM 788 CD2 PHE A 50 4.649 -0.940 -2.827 1.00 0.00 C ATOM 789 CE1 PHE A 50 6.979 0.257 -1.847 1.00 0.00 C ATOM 790 CE2 PHE A 50 5.878 -1.197 -3.443 1.00 0.00 C ATOM 791 CZ PHE A 50 7.044 -0.599 -2.954 1.00 0.00 C ATOM 0 H PHE A 50 4.870 -0.592 1.359 1.00 0.00 H new ATOM 0 HA PHE A 50 2.039 -0.643 0.507 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.437 -0.008 -1.758 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.179 1.251 -0.791 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.701 1.175 -0.378 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.749 -1.402 -3.205 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.879 0.719 -1.469 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.927 -1.857 -4.296 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.993 -0.797 -3.429 1.00 0.00 H new ATOM 801 N THR A 51 2.611 -2.894 -0.676 1.00 0.00 N ATOM 802 CA THR A 51 2.939 -4.315 -1.006 1.00 0.00 C ATOM 803 C THR A 51 2.334 -4.681 -2.365 1.00 0.00 C ATOM 804 O THR A 51 1.171 -4.453 -2.625 1.00 0.00 O ATOM 805 CB THR A 51 2.352 -5.230 0.070 1.00 0.00 C ATOM 806 OG1 THR A 51 2.560 -6.586 -0.300 1.00 0.00 O ATOM 807 CG2 THR A 51 0.851 -4.967 0.211 1.00 0.00 C ATOM 0 H THR A 51 1.665 -2.604 -0.923 1.00 0.00 H new ATOM 0 HA THR A 51 4.021 -4.438 -1.046 1.00 0.00 H new ATOM 0 HB THR A 51 2.844 -5.029 1.022 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.186 -7.174 0.389 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.438 -5.621 0.979 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.689 -3.927 0.495 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.356 -5.165 -0.740 1.00 0.00 H new ATOM 815 N ILE A 52 3.136 -5.246 -3.228 1.00 0.00 N ATOM 816 CA ILE A 52 2.646 -5.639 -4.591 1.00 0.00 C ATOM 817 C ILE A 52 2.503 -7.157 -4.668 1.00 0.00 C ATOM 818 O ILE A 52 3.386 -7.895 -4.280 1.00 0.00 O ATOM 819 CB ILE A 52 3.642 -5.164 -5.645 1.00 0.00 C ATOM 820 CG1 ILE A 52 3.778 -3.641 -5.558 1.00 0.00 C ATOM 821 CG2 ILE A 52 3.129 -5.554 -7.032 1.00 0.00 C ATOM 822 CD1 ILE A 52 4.956 -3.180 -6.413 1.00 0.00 C ATOM 0 H ILE A 52 4.118 -5.456 -3.050 1.00 0.00 H new ATOM 0 HA ILE A 52 1.676 -5.177 -4.774 1.00 0.00 H new ATOM 0 HB ILE A 52 4.614 -5.627 -5.473 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.859 -3.164 -5.900 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.928 -3.338 -4.522 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.837 -5.217 -7.790 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.024 -6.637 -7.090 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.160 -5.086 -7.207 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.050 -2.096 -6.349 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.873 -3.646 -6.051 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.788 -3.469 -7.450 1.00 0.00 H new ATOM 834 N TRP A 53 1.384 -7.634 -5.151 1.00 0.00 N ATOM 835 CA TRP A 53 1.167 -9.104 -5.240 1.00 0.00 C ATOM 836 C TRP A 53 1.639 -9.631 -6.598 1.00 0.00 C ATOM 837 O TRP A 53 1.500 -8.982 -7.616 1.00 0.00 O ATOM 838 CB TRP A 53 -0.327 -9.387 -5.083 1.00 0.00 C ATOM 839 CG TRP A 53 -0.735 -9.101 -3.676 1.00 0.00 C ATOM 840 CD1 TRP A 53 -0.828 -7.868 -3.129 1.00 0.00 C ATOM 841 CD2 TRP A 53 -1.108 -10.042 -2.631 1.00 0.00 C ATOM 842 NE1 TRP A 53 -1.227 -7.993 -1.810 1.00 0.00 N ATOM 843 CE2 TRP A 53 -1.416 -9.315 -1.458 1.00 0.00 C ATOM 844 CE3 TRP A 53 -1.209 -11.444 -2.589 1.00 0.00 C ATOM 845 CZ2 TRP A 53 -1.806 -9.955 -0.282 1.00 0.00 C ATOM 846 CZ3 TRP A 53 -1.603 -12.092 -1.408 1.00 0.00 C ATOM 847 CH2 TRP A 53 -1.902 -11.349 -0.257 1.00 0.00 C ATOM 0 H TRP A 53 0.609 -7.063 -5.488 1.00 0.00 H new ATOM 0 HA TRP A 53 1.735 -9.601 -4.454 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -0.901 -8.769 -5.774 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -0.541 -10.426 -5.332 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.624 -6.938 -3.638 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.365 -7.206 -1.176 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -0.982 -12.025 -3.470 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -2.032 -9.378 0.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -1.676 -13.169 -1.386 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -2.206 -11.854 0.648 1.00 0.00 H new ATOM 858 N LYS A 54 2.189 -10.813 -6.612 1.00 0.00 N ATOM 859 CA LYS A 54 2.673 -11.417 -7.886 1.00 0.00 C ATOM 860 C LYS A 54 1.505 -11.547 -8.862 1.00 0.00 C ATOM 861 O LYS A 54 1.674 -11.465 -10.063 1.00 0.00 O ATOM 862 CB LYS A 54 3.246 -12.810 -7.588 1.00 0.00 C ATOM 863 CG LYS A 54 4.662 -12.696 -7.001 1.00 0.00 C ATOM 864 CD LYS A 54 5.692 -12.584 -8.132 1.00 0.00 C ATOM 865 CE LYS A 54 7.097 -12.505 -7.539 1.00 0.00 C ATOM 866 NZ LYS A 54 8.092 -12.438 -8.645 1.00 0.00 N ATOM 0 H LYS A 54 2.326 -11.394 -5.785 1.00 0.00 H new ATOM 0 HA LYS A 54 3.444 -10.785 -8.327 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.597 -13.334 -6.887 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.272 -13.402 -8.503 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.726 -11.823 -6.352 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.880 -13.568 -6.384 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.614 -13.446 -8.795 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.490 -11.699 -8.735 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.186 -11.627 -6.900 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.290 -13.376 -6.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.051 -12.384 -8.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.011 -13.289 -9.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.910 -11.594 -9.225 1.00 0.00 H new ATOM 880 N ASN A 55 0.326 -11.758 -8.355 1.00 0.00 N ATOM 881 CA ASN A 55 -0.855 -11.911 -9.243 1.00 0.00 C ATOM 882 C ASN A 55 -1.021 -10.652 -10.094 1.00 0.00 C ATOM 883 O ASN A 55 -1.758 -10.641 -11.062 1.00 0.00 O ATOM 884 CB ASN A 55 -2.104 -12.119 -8.383 1.00 0.00 C ATOM 885 CG ASN A 55 -2.124 -13.549 -7.840 1.00 0.00 C ATOM 886 OD1 ASN A 55 -1.420 -14.409 -8.332 1.00 0.00 O ATOM 887 ND2 ASN A 55 -2.909 -13.843 -6.839 1.00 0.00 N ATOM 0 H ASN A 55 0.129 -11.832 -7.357 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.714 -12.770 -9.898 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.112 -11.406 -7.558 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.000 -11.932 -8.975 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.931 -14.794 -6.470 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.500 -13.122 -6.426 1.00 0.00 H new ATOM 894 N ALA A 56 -0.338 -9.591 -9.753 1.00 0.00 N ATOM 895 CA ALA A 56 -0.451 -8.339 -10.553 1.00 0.00 C ATOM 896 C ALA A 56 0.568 -8.386 -11.697 1.00 0.00 C ATOM 897 O ALA A 56 0.357 -7.830 -12.757 1.00 0.00 O ATOM 898 CB ALA A 56 -0.165 -7.134 -9.647 1.00 0.00 C ATOM 0 H ALA A 56 0.294 -9.539 -8.954 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.456 -8.246 -10.966 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.246 -6.215 -10.227 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.887 -7.113 -8.831 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.842 -7.217 -9.238 1.00 0.00 H new ATOM 904 N GLU A 57 1.674 -9.052 -11.481 1.00 0.00 N ATOM 905 CA GLU A 57 2.724 -9.156 -12.536 1.00 0.00 C ATOM 906 C GLU A 57 3.146 -7.763 -13.001 1.00 0.00 C ATOM 907 O GLU A 57 3.097 -7.452 -14.175 1.00 0.00 O ATOM 908 CB GLU A 57 2.185 -9.957 -13.721 1.00 0.00 C ATOM 909 CG GLU A 57 1.822 -11.368 -13.254 1.00 0.00 C ATOM 910 CD GLU A 57 3.095 -12.137 -12.890 1.00 0.00 C ATOM 911 OE1 GLU A 57 4.172 -11.642 -13.187 1.00 0.00 O ATOM 912 OE2 GLU A 57 2.973 -13.216 -12.334 1.00 0.00 O ATOM 0 H GLU A 57 1.895 -9.533 -10.609 1.00 0.00 H new ATOM 0 HA GLU A 57 3.593 -9.666 -12.121 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.308 -9.463 -14.140 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.933 -10.005 -14.513 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.158 -11.316 -12.391 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.281 -11.894 -14.041 1.00 0.00 H new ATOM 919 N LEU A 58 3.573 -6.925 -12.084 1.00 0.00 N ATOM 920 CA LEU A 58 4.020 -5.545 -12.451 1.00 0.00 C ATOM 921 C LEU A 58 5.551 -5.452 -12.321 1.00 0.00 C ATOM 922 O LEU A 58 6.159 -6.185 -11.565 1.00 0.00 O ATOM 923 CB LEU A 58 3.354 -4.531 -11.507 1.00 0.00 C ATOM 924 CG LEU A 58 2.056 -4.027 -12.141 1.00 0.00 C ATOM 925 CD1 LEU A 58 1.120 -5.206 -12.413 1.00 0.00 C ATOM 926 CD2 LEU A 58 1.388 -3.050 -11.191 1.00 0.00 C ATOM 0 H LEU A 58 3.631 -7.142 -11.089 1.00 0.00 H new ATOM 0 HA LEU A 58 3.734 -5.325 -13.479 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.145 -4.996 -10.544 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.028 -3.696 -11.318 1.00 0.00 H new ATOM 0 HG LEU A 58 2.279 -3.528 -13.084 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.197 -4.841 -12.864 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.605 -5.906 -13.093 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.890 -5.712 -11.475 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.462 -2.686 -11.636 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.166 -3.552 -10.249 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.056 -2.209 -11.005 1.00 0.00 H new ATOM 938 N PRO A 59 6.162 -4.549 -13.048 1.00 0.00 N ATOM 939 CA PRO A 59 7.643 -4.347 -13.011 1.00 0.00 C ATOM 940 C PRO A 59 8.130 -3.809 -11.657 1.00 0.00 C ATOM 941 O PRO A 59 7.386 -3.212 -10.905 1.00 0.00 O ATOM 942 CB PRO A 59 7.912 -3.333 -14.140 1.00 0.00 C ATOM 943 CG PRO A 59 6.605 -2.631 -14.364 1.00 0.00 C ATOM 944 CD PRO A 59 5.509 -3.629 -13.995 1.00 0.00 C ATOM 0 HA PRO A 59 8.180 -5.286 -13.144 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.693 -2.628 -13.857 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.249 -3.835 -15.047 1.00 0.00 H new ATOM 0 HG2 PRO A 59 6.536 -1.734 -13.749 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.508 -2.314 -15.402 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.653 -3.130 -13.540 1.00 0.00 H new ATOM 0 HD3 PRO A 59 5.140 -4.158 -14.874 1.00 0.00 H new ATOM 952 N LEU A 60 9.378 -4.037 -11.350 1.00 0.00 N ATOM 953 CA LEU A 60 9.939 -3.567 -10.052 1.00 0.00 C ATOM 954 C LEU A 60 10.104 -2.046 -10.062 1.00 0.00 C ATOM 955 O LEU A 60 10.430 -1.445 -11.066 1.00 0.00 O ATOM 956 CB LEU A 60 11.301 -4.224 -9.831 1.00 0.00 C ATOM 957 CG LEU A 60 11.159 -5.748 -9.933 1.00 0.00 C ATOM 958 CD1 LEU A 60 12.535 -6.397 -9.767 1.00 0.00 C ATOM 959 CD2 LEU A 60 10.213 -6.261 -8.835 1.00 0.00 C ATOM 0 H LEU A 60 10.038 -4.533 -11.949 1.00 0.00 H new ATOM 0 HA LEU A 60 9.256 -3.840 -9.248 1.00 0.00 H new ATOM 0 HB2 LEU A 60 12.014 -3.865 -10.573 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.694 -3.950 -8.852 1.00 0.00 H new ATOM 0 HG LEU A 60 10.746 -6.007 -10.908 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.437 -7.480 -9.839 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.203 -6.040 -10.551 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.946 -6.134 -8.793 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.117 -7.344 -8.914 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.618 -6.003 -7.856 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.232 -5.800 -8.955 1.00 0.00 H new ATOM 971 N LEU A 61 9.878 -1.429 -8.934 1.00 0.00 N ATOM 972 CA LEU A 61 10.009 0.051 -8.831 1.00 0.00 C ATOM 973 C LEU A 61 11.479 0.433 -8.646 1.00 0.00 C ATOM 974 O LEU A 61 12.254 -0.299 -8.063 1.00 0.00 O ATOM 975 CB LEU A 61 9.194 0.540 -7.631 1.00 0.00 C ATOM 976 CG LEU A 61 7.718 0.633 -8.016 1.00 0.00 C ATOM 977 CD1 LEU A 61 7.204 -0.753 -8.419 1.00 0.00 C ATOM 978 CD2 LEU A 61 6.916 1.152 -6.823 1.00 0.00 C ATOM 0 H LEU A 61 9.605 -1.895 -8.069 1.00 0.00 H new ATOM 0 HA LEU A 61 9.637 0.515 -9.744 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.319 -0.144 -6.791 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.557 1.515 -7.305 1.00 0.00 H new ATOM 0 HG LEU A 61 7.603 1.317 -8.857 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.151 -0.685 -8.693 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.778 -1.121 -9.270 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.317 -1.441 -7.581 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.863 1.220 -7.094 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.031 0.468 -5.982 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.282 2.139 -6.540 1.00 0.00 H new ATOM 990 N GLU A 62 11.868 1.580 -9.148 1.00 0.00 N ATOM 991 CA GLU A 62 13.289 2.027 -9.019 1.00 0.00 C ATOM 992 C GLU A 62 13.416 3.061 -7.896 1.00 0.00 C ATOM 993 O GLU A 62 12.608 3.958 -7.757 1.00 0.00 O ATOM 994 CB GLU A 62 13.732 2.647 -10.340 1.00 0.00 C ATOM 995 CG GLU A 62 13.771 1.557 -11.412 1.00 0.00 C ATOM 996 CD GLU A 62 14.147 2.175 -12.759 1.00 0.00 C ATOM 997 OE1 GLU A 62 14.321 3.381 -12.807 1.00 0.00 O ATOM 998 OE2 GLU A 62 14.257 1.431 -13.719 1.00 0.00 O ATOM 0 H GLU A 62 11.258 2.229 -9.644 1.00 0.00 H new ATOM 0 HA GLU A 62 13.920 1.171 -8.779 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.044 3.440 -10.634 1.00 0.00 H new ATOM 0 HB3 GLU A 62 14.716 3.103 -10.231 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.495 0.789 -11.138 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.799 1.068 -11.483 1.00 0.00 H new ATOM 1005 N GLN A 63 14.428 2.922 -7.082 1.00 0.00 N ATOM 1006 CA GLN A 63 14.626 3.866 -5.946 1.00 0.00 C ATOM 1007 C GLN A 63 15.081 5.232 -6.454 1.00 0.00 C ATOM 1008 O GLN A 63 15.962 5.341 -7.284 1.00 0.00 O ATOM 1009 CB GLN A 63 15.681 3.297 -5.000 1.00 0.00 C ATOM 1010 CG GLN A 63 15.120 2.043 -4.337 1.00 0.00 C ATOM 1011 CD GLN A 63 16.192 1.384 -3.467 1.00 0.00 C ATOM 1012 OE1 GLN A 63 17.339 1.290 -3.859 1.00 0.00 O ATOM 1013 NE2 GLN A 63 15.862 0.910 -2.296 1.00 0.00 N ATOM 0 H GLN A 63 15.132 2.188 -7.157 1.00 0.00 H new ATOM 0 HA GLN A 63 13.679 3.989 -5.420 1.00 0.00 H new ATOM 0 HB2 GLN A 63 16.592 3.058 -5.550 1.00 0.00 H new ATOM 0 HB3 GLN A 63 15.949 4.036 -4.245 1.00 0.00 H new ATOM 0 HG2 GLN A 63 14.254 2.301 -3.728 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.777 1.342 -5.098 1.00 0.00 H new ATOM 0 HE21 GLN A 63 14.900 0.989 -1.967 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.566 0.461 -1.711 1.00 0.00 H new ATOM 1022 N GLY A 64 14.488 6.278 -5.943 1.00 0.00 N ATOM 1023 CA GLY A 64 14.871 7.658 -6.367 1.00 0.00 C ATOM 1024 C GLY A 64 13.954 8.125 -7.496 1.00 0.00 C ATOM 1025 O GLY A 64 13.913 9.291 -7.831 1.00 0.00 O ATOM 0 H GLY A 64 13.747 6.235 -5.243 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.799 8.342 -5.521 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.909 7.671 -6.700 1.00 0.00 H new ATOM 1029 N GLU A 65 13.226 7.220 -8.098 1.00 0.00 N ATOM 1030 CA GLU A 65 12.322 7.602 -9.220 1.00 0.00 C ATOM 1031 C GLU A 65 10.902 7.842 -8.710 1.00 0.00 C ATOM 1032 O GLU A 65 10.503 7.371 -7.658 1.00 0.00 O ATOM 1033 CB GLU A 65 12.313 6.479 -10.262 1.00 0.00 C ATOM 1034 CG GLU A 65 13.675 6.407 -10.973 1.00 0.00 C ATOM 1035 CD GLU A 65 14.682 5.655 -10.101 1.00 0.00 C ATOM 1036 OE1 GLU A 65 14.332 5.315 -8.985 1.00 0.00 O ATOM 1037 OE2 GLU A 65 15.789 5.435 -10.565 1.00 0.00 O ATOM 0 H GLU A 65 13.220 6.229 -7.858 1.00 0.00 H new ATOM 0 HA GLU A 65 12.687 8.525 -9.671 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.095 5.526 -9.779 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.522 6.655 -10.991 1.00 0.00 H new ATOM 0 HG2 GLU A 65 13.567 5.904 -11.934 1.00 0.00 H new ATOM 0 HG3 GLU A 65 14.040 7.413 -11.179 1.00 0.00 H new ATOM 1044 N SER A 66 10.144 8.583 -9.472 1.00 0.00 N ATOM 1045 CA SER A 66 8.736 8.891 -9.088 1.00 0.00 C ATOM 1046 C SER A 66 7.812 7.826 -9.671 1.00 0.00 C ATOM 1047 O SER A 66 8.008 7.361 -10.779 1.00 0.00 O ATOM 1048 CB SER A 66 8.338 10.260 -9.634 1.00 0.00 C ATOM 1049 OG SER A 66 6.962 10.484 -9.361 1.00 0.00 O ATOM 0 H SER A 66 10.445 8.994 -10.356 1.00 0.00 H new ATOM 0 HA SER A 66 8.651 8.899 -8.001 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.945 11.040 -9.174 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.521 10.305 -10.708 1.00 0.00 H new ATOM 0 HG SER A 66 6.699 11.362 -9.707 1.00 0.00 H new ATOM 1055 N TYR A 67 6.799 7.436 -8.933 1.00 0.00 N ATOM 1056 CA TYR A 67 5.846 6.395 -9.431 1.00 0.00 C ATOM 1057 C TYR A 67 4.409 6.842 -9.176 1.00 0.00 C ATOM 1058 O TYR A 67 4.093 7.438 -8.166 1.00 0.00 O ATOM 1059 CB TYR A 67 6.100 5.071 -8.695 1.00 0.00 C ATOM 1060 CG TYR A 67 7.263 4.350 -9.331 1.00 0.00 C ATOM 1061 CD1 TYR A 67 7.052 3.568 -10.470 1.00 0.00 C ATOM 1062 CD2 TYR A 67 8.543 4.461 -8.786 1.00 0.00 C ATOM 1063 CE1 TYR A 67 8.122 2.894 -11.064 1.00 0.00 C ATOM 1064 CE2 TYR A 67 9.615 3.789 -9.379 1.00 0.00 C ATOM 1065 CZ TYR A 67 9.405 3.003 -10.520 1.00 0.00 C ATOM 1066 OH TYR A 67 10.464 2.341 -11.105 1.00 0.00 O ATOM 0 H TYR A 67 6.591 7.797 -8.002 1.00 0.00 H new ATOM 0 HA TYR A 67 5.998 6.257 -10.501 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.310 5.263 -7.643 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.208 4.446 -8.733 1.00 0.00 H new ATOM 0 HD1 TYR A 67 6.061 3.485 -10.891 1.00 0.00 H new ATOM 0 HD2 TYR A 67 8.705 5.066 -7.906 1.00 0.00 H new ATOM 0 HE1 TYR A 67 7.958 2.289 -11.943 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.606 3.875 -8.958 1.00 0.00 H new ATOM 0 HH TYR A 67 11.063 2.991 -11.527 1.00 0.00 H new ATOM 1076 N LEU A 68 3.547 6.534 -10.102 1.00 0.00 N ATOM 1077 CA LEU A 68 2.106 6.899 -9.967 1.00 0.00 C ATOM 1078 C LEU A 68 1.305 5.621 -9.747 1.00 0.00 C ATOM 1079 O LEU A 68 1.476 4.645 -10.452 1.00 0.00 O ATOM 1080 CB LEU A 68 1.635 7.620 -11.235 1.00 0.00 C ATOM 1081 CG LEU A 68 0.107 7.765 -11.236 1.00 0.00 C ATOM 1082 CD1 LEU A 68 -0.342 8.538 -9.995 1.00 0.00 C ATOM 1083 CD2 LEU A 68 -0.322 8.528 -12.490 1.00 0.00 C ATOM 0 H LEU A 68 3.781 6.037 -10.961 1.00 0.00 H new ATOM 0 HA LEU A 68 1.961 7.570 -9.120 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.099 8.604 -11.294 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.954 7.063 -12.116 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.351 6.776 -11.227 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.427 8.638 -10.001 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.032 8.000 -9.099 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.113 9.528 -9.999 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.407 8.635 -12.498 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.140 9.515 -12.491 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.005 7.978 -13.376 1.00 0.00 H new ATOM 1095 N LEU A 69 0.432 5.613 -8.769 1.00 0.00 N ATOM 1096 CA LEU A 69 -0.387 4.395 -8.486 1.00 0.00 C ATOM 1097 C LEU A 69 -1.827 4.646 -8.913 1.00 0.00 C ATOM 1098 O LEU A 69 -2.516 5.473 -8.342 1.00 0.00 O ATOM 1099 CB LEU A 69 -0.346 4.114 -6.987 1.00 0.00 C ATOM 1100 CG LEU A 69 1.111 4.065 -6.519 1.00 0.00 C ATOM 1101 CD1 LEU A 69 1.154 3.833 -5.007 1.00 0.00 C ATOM 1102 CD2 LEU A 69 1.848 2.923 -7.237 1.00 0.00 C ATOM 0 H LEU A 69 0.251 6.404 -8.151 1.00 0.00 H new ATOM 0 HA LEU A 69 0.011 3.542 -9.036 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.888 4.889 -6.445 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.842 3.168 -6.769 1.00 0.00 H new ATOM 0 HG LEU A 69 1.598 5.011 -6.755 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.191 3.798 -4.674 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.637 4.647 -4.499 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.665 2.888 -4.770 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.885 2.891 -6.901 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.363 1.975 -7.006 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.820 3.092 -8.313 1.00 0.00 H new ATOM 1114 N ARG A 70 -2.282 3.950 -9.928 1.00 0.00 N ATOM 1115 CA ARG A 70 -3.678 4.148 -10.424 1.00 0.00 C ATOM 1116 C ARG A 70 -4.540 2.933 -10.088 1.00 0.00 C ATOM 1117 O ARG A 70 -4.110 1.799 -10.189 1.00 0.00 O ATOM 1118 CB ARG A 70 -3.654 4.326 -11.942 1.00 0.00 C ATOM 1119 CG ARG A 70 -2.719 5.479 -12.304 1.00 0.00 C ATOM 1120 CD ARG A 70 -2.860 5.807 -13.791 1.00 0.00 C ATOM 1121 NE ARG A 70 -2.391 4.646 -14.600 1.00 0.00 N ATOM 1122 CZ ARG A 70 -2.440 4.687 -15.904 1.00 0.00 C ATOM 1123 NH1 ARG A 70 -2.897 5.749 -16.513 1.00 0.00 N ATOM 1124 NH2 ARG A 70 -2.031 3.663 -16.602 1.00 0.00 N ATOM 0 H ARG A 70 -1.742 3.250 -10.436 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.098 5.032 -9.944 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.318 3.407 -12.422 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.659 4.529 -12.311 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.958 6.357 -11.704 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.688 5.209 -12.077 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -3.900 6.033 -14.028 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -2.277 6.695 -14.036 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.030 3.815 -14.132 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.217 6.550 -15.969 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.933 5.777 -17.532 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.674 2.833 -16.129 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.068 3.693 -17.621 1.00 0.00 H new ATOM 1138 N SER A 71 -5.765 3.176 -9.703 1.00 0.00 N ATOM 1139 CA SER A 71 -6.709 2.071 -9.369 1.00 0.00 C ATOM 1140 C SER A 71 -6.136 1.177 -8.270 1.00 0.00 C ATOM 1141 O SER A 71 -5.957 -0.009 -8.461 1.00 0.00 O ATOM 1142 CB SER A 71 -6.999 1.237 -10.620 1.00 0.00 C ATOM 1143 OG SER A 71 -7.498 -0.037 -10.232 1.00 0.00 O ATOM 0 H SER A 71 -6.158 4.112 -9.604 1.00 0.00 H new ATOM 0 HA SER A 71 -7.637 2.512 -9.004 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.726 1.748 -11.251 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.091 1.120 -11.211 1.00 0.00 H new ATOM 0 HG SER A 71 -6.779 -0.557 -9.816 1.00 0.00 H new ATOM 1149 N VAL A 72 -5.865 1.733 -7.115 1.00 0.00 N ATOM 1150 CA VAL A 72 -5.318 0.919 -5.983 1.00 0.00 C ATOM 1151 C VAL A 72 -6.308 0.939 -4.827 1.00 0.00 C ATOM 1152 O VAL A 72 -7.259 1.695 -4.820 1.00 0.00 O ATOM 1153 CB VAL A 72 -3.972 1.488 -5.525 1.00 0.00 C ATOM 1154 CG1 VAL A 72 -2.906 1.220 -6.596 1.00 0.00 C ATOM 1155 CG2 VAL A 72 -4.100 3.000 -5.297 1.00 0.00 C ATOM 0 H VAL A 72 -6.000 2.722 -6.906 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.167 -0.107 -6.318 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.678 1.005 -4.593 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.950 1.626 -6.267 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.809 0.146 -6.752 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.201 1.698 -7.530 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.140 3.401 -4.971 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.399 3.484 -6.227 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.852 3.190 -4.531 1.00 0.00 H new ATOM 1165 N VAL A 73 -6.097 0.087 -3.856 1.00 0.00 N ATOM 1166 CA VAL A 73 -7.024 0.012 -2.686 1.00 0.00 C ATOM 1167 C VAL A 73 -6.228 0.113 -1.387 1.00 0.00 C ATOM 1168 O VAL A 73 -5.031 -0.098 -1.359 1.00 0.00 O ATOM 1169 CB VAL A 73 -7.790 -1.314 -2.731 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -6.814 -2.487 -2.632 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -8.779 -1.367 -1.565 1.00 0.00 C ATOM 0 H VAL A 73 -5.314 -0.566 -3.824 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.732 0.839 -2.729 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.332 -1.384 -3.674 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -7.368 -3.425 -2.665 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -6.114 -2.449 -3.467 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.263 -2.424 -1.694 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.326 -2.309 -1.594 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -8.235 -1.292 -0.623 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -9.481 -0.537 -1.646 1.00 0.00 H new ATOM 1181 N VAL A 74 -6.890 0.458 -0.313 1.00 0.00 N ATOM 1182 CA VAL A 74 -6.195 0.605 1.001 1.00 0.00 C ATOM 1183 C VAL A 74 -6.489 -0.614 1.869 1.00 0.00 C ATOM 1184 O VAL A 74 -7.620 -1.042 1.991 1.00 0.00 O ATOM 1185 CB VAL A 74 -6.704 1.871 1.695 1.00 0.00 C ATOM 1186 CG1 VAL A 74 -6.180 1.918 3.134 1.00 0.00 C ATOM 1187 CG2 VAL A 74 -6.200 3.093 0.926 1.00 0.00 C ATOM 0 H VAL A 74 -7.892 0.646 -0.290 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.119 0.682 0.846 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.794 1.868 1.713 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.544 2.821 3.625 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.532 1.042 3.678 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.090 1.925 3.124 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.557 4.001 1.412 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.110 3.092 0.915 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.573 3.058 -0.097 1.00 0.00 H new ATOM 1197 N GLY A 75 -5.470 -1.182 2.469 1.00 0.00 N ATOM 1198 CA GLY A 75 -5.655 -2.386 3.338 1.00 0.00 C ATOM 1199 C GLY A 75 -5.318 -2.037 4.786 1.00 0.00 C ATOM 1200 O GLY A 75 -4.613 -1.081 5.060 1.00 0.00 O ATOM 0 H GLY A 75 -4.506 -0.858 2.392 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.684 -2.740 3.270 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.015 -3.197 2.992 1.00 0.00 H new ATOM 1204 N GLU A 76 -5.817 -2.810 5.716 1.00 0.00 N ATOM 1205 CA GLU A 76 -5.536 -2.549 7.159 1.00 0.00 C ATOM 1206 C GLU A 76 -4.472 -3.526 7.653 1.00 0.00 C ATOM 1207 O GLU A 76 -4.771 -4.621 8.091 1.00 0.00 O ATOM 1208 CB GLU A 76 -6.822 -2.751 7.962 1.00 0.00 C ATOM 1209 CG GLU A 76 -6.559 -2.419 9.431 1.00 0.00 C ATOM 1210 CD GLU A 76 -7.865 -2.523 10.220 1.00 0.00 C ATOM 1211 OE1 GLU A 76 -8.910 -2.573 9.593 1.00 0.00 O ATOM 1212 OE2 GLU A 76 -7.797 -2.548 11.437 1.00 0.00 O ATOM 0 H GLU A 76 -6.413 -3.618 5.535 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.178 -1.527 7.286 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.613 -2.113 7.569 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.166 -3.781 7.866 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.818 -3.104 9.842 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.148 -1.414 9.519 1.00 0.00 H new ATOM 1219 N TYR A 77 -3.224 -3.139 7.576 1.00 0.00 N ATOM 1220 CA TYR A 77 -2.119 -4.040 8.028 1.00 0.00 C ATOM 1221 C TYR A 77 -1.633 -3.610 9.416 1.00 0.00 C ATOM 1222 O TYR A 77 -1.167 -2.505 9.615 1.00 0.00 O ATOM 1223 CB TYR A 77 -0.968 -3.955 7.020 1.00 0.00 C ATOM 1224 CG TYR A 77 0.183 -4.823 7.474 1.00 0.00 C ATOM 1225 CD1 TYR A 77 0.087 -6.219 7.379 1.00 0.00 C ATOM 1226 CD2 TYR A 77 1.345 -4.236 7.987 1.00 0.00 C ATOM 1227 CE1 TYR A 77 1.154 -7.023 7.797 1.00 0.00 C ATOM 1228 CE2 TYR A 77 2.412 -5.041 8.403 1.00 0.00 C ATOM 1229 CZ TYR A 77 2.317 -6.434 8.309 1.00 0.00 C ATOM 1230 OH TYR A 77 3.369 -7.227 8.719 1.00 0.00 O ATOM 0 H TYR A 77 -2.921 -2.233 7.218 1.00 0.00 H new ATOM 0 HA TYR A 77 -2.480 -5.067 8.087 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -1.311 -4.277 6.037 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.637 -2.921 6.920 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -0.809 -6.673 6.984 1.00 0.00 H new ATOM 0 HD2 TYR A 77 1.419 -3.161 8.062 1.00 0.00 H new ATOM 0 HE1 TYR A 77 1.080 -8.098 7.725 1.00 0.00 H new ATOM 0 HE2 TYR A 77 3.309 -4.587 8.797 1.00 0.00 H new ATOM 0 HH TYR A 77 4.098 -6.660 9.047 1.00 0.00 H new ATOM 1240 N ASN A 78 -1.739 -4.496 10.374 1.00 0.00 N ATOM 1241 CA ASN A 78 -1.289 -4.189 11.761 1.00 0.00 C ATOM 1242 C ASN A 78 -1.925 -2.887 12.260 1.00 0.00 C ATOM 1243 O ASN A 78 -1.274 -2.067 12.875 1.00 0.00 O ATOM 1244 CB ASN A 78 0.236 -4.085 11.799 1.00 0.00 C ATOM 1245 CG ASN A 78 0.840 -5.378 11.243 1.00 0.00 C ATOM 1246 OD1 ASN A 78 2.031 -5.461 11.024 1.00 0.00 O ATOM 1247 ND2 ASN A 78 0.060 -6.400 11.004 1.00 0.00 N ATOM 0 H ASN A 78 -2.124 -5.432 10.249 1.00 0.00 H new ATOM 0 HA ASN A 78 -1.607 -4.997 12.420 1.00 0.00 H new ATOM 0 HB2 ASN A 78 0.569 -3.231 11.210 1.00 0.00 H new ATOM 0 HB3 ASN A 78 0.576 -3.920 12.821 1.00 0.00 H new ATOM 0 HD21 ASN A 78 0.453 -7.266 10.634 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.941 -6.332 11.188 1.00 0.00 H new ATOM 1254 N ASP A 79 -3.198 -2.704 12.004 1.00 0.00 N ATOM 1255 CA ASP A 79 -3.910 -1.470 12.463 1.00 0.00 C ATOM 1256 C ASP A 79 -3.408 -0.249 11.690 1.00 0.00 C ATOM 1257 O ASP A 79 -4.022 0.800 11.702 1.00 0.00 O ATOM 1258 CB ASP A 79 -3.675 -1.260 13.968 1.00 0.00 C ATOM 1259 CG ASP A 79 -3.693 -2.614 14.681 1.00 0.00 C ATOM 1260 OD1 ASP A 79 -4.637 -3.357 14.470 1.00 0.00 O ATOM 1261 OD2 ASP A 79 -2.764 -2.883 15.424 1.00 0.00 O ATOM 0 H ASP A 79 -3.781 -3.365 11.490 1.00 0.00 H new ATOM 0 HA ASP A 79 -4.977 -1.593 12.277 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.719 -0.763 14.132 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -4.447 -0.610 14.380 1.00 0.00 H new ATOM 1266 N ARG A 80 -2.294 -0.375 11.024 1.00 0.00 N ATOM 1267 CA ARG A 80 -1.745 0.783 10.257 1.00 0.00 C ATOM 1268 C ARG A 80 -2.326 0.804 8.847 1.00 0.00 C ATOM 1269 O ARG A 80 -2.819 -0.188 8.345 1.00 0.00 O ATOM 1270 CB ARG A 80 -0.226 0.678 10.176 1.00 0.00 C ATOM 1271 CG ARG A 80 0.368 0.887 11.568 1.00 0.00 C ATOM 1272 CD ARG A 80 1.884 0.738 11.496 1.00 0.00 C ATOM 1273 NE ARG A 80 2.454 1.825 10.646 1.00 0.00 N ATOM 1274 CZ ARG A 80 2.756 2.986 11.169 1.00 0.00 C ATOM 1275 NH1 ARG A 80 2.536 3.215 12.436 1.00 0.00 N ATOM 1276 NH2 ARG A 80 3.274 3.920 10.420 1.00 0.00 N ATOM 0 H ARG A 80 -1.738 -1.229 10.976 1.00 0.00 H new ATOM 0 HA ARG A 80 -2.020 1.704 10.772 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.063 -0.299 9.788 1.00 0.00 H new ATOM 0 HB3 ARG A 80 0.166 1.424 9.485 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.106 1.876 11.943 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.048 0.161 12.266 1.00 0.00 H new ATOM 0 HD2 ARG A 80 2.312 0.783 12.497 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.145 -0.236 11.082 1.00 0.00 H new ATOM 0 HE ARG A 80 2.609 1.662 9.651 1.00 0.00 H new ATOM 0 HH11 ARG A 80 2.127 2.487 13.022 1.00 0.00 H new ATOM 0 HH12 ARG A 80 2.773 4.121 12.839 1.00 0.00 H new ATOM 0 HH21 ARG A 80 3.443 3.744 9.429 1.00 0.00 H new ATOM 0 HH22 ARG A 80 3.510 4.826 10.825 1.00 0.00 H new ATOM 1290 N PHE A 81 -2.270 1.940 8.206 1.00 0.00 N ATOM 1291 CA PHE A 81 -2.818 2.055 6.824 1.00 0.00 C ATOM 1292 C PHE A 81 -1.717 1.719 5.817 1.00 0.00 C ATOM 1293 O PHE A 81 -0.592 2.159 5.945 1.00 0.00 O ATOM 1294 CB PHE A 81 -3.302 3.490 6.594 1.00 0.00 C ATOM 1295 CG PHE A 81 -4.457 3.781 7.525 1.00 0.00 C ATOM 1296 CD1 PHE A 81 -5.703 3.183 7.300 1.00 0.00 C ATOM 1297 CD2 PHE A 81 -4.285 4.647 8.614 1.00 0.00 C ATOM 1298 CE1 PHE A 81 -6.774 3.448 8.162 1.00 0.00 C ATOM 1299 CE2 PHE A 81 -5.356 4.911 9.476 1.00 0.00 C ATOM 1300 CZ PHE A 81 -6.601 4.313 9.248 1.00 0.00 C ATOM 0 H PHE A 81 -1.866 2.798 8.582 1.00 0.00 H new ATOM 0 HA PHE A 81 -3.651 1.364 6.696 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.489 4.194 6.773 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.613 3.620 5.557 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.838 2.517 6.461 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -3.325 5.111 8.788 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -7.734 2.985 7.989 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -5.222 5.576 10.317 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.428 4.519 9.911 1.00 0.00 H new ATOM 1310 N GLN A 82 -2.028 0.934 4.816 1.00 0.00 N ATOM 1311 CA GLN A 82 -0.991 0.561 3.804 1.00 0.00 C ATOM 1312 C GLN A 82 -1.637 0.488 2.421 1.00 0.00 C ATOM 1313 O GLN A 82 -2.822 0.246 2.289 1.00 0.00 O ATOM 1314 CB GLN A 82 -0.392 -0.803 4.172 1.00 0.00 C ATOM 1315 CG GLN A 82 0.740 -1.154 3.200 1.00 0.00 C ATOM 1316 CD GLN A 82 1.336 -2.519 3.560 1.00 0.00 C ATOM 1317 OE1 GLN A 82 0.650 -3.522 3.529 1.00 0.00 O ATOM 1318 NE2 GLN A 82 2.596 -2.599 3.899 1.00 0.00 N ATOM 0 H GLN A 82 -2.953 0.536 4.655 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.200 1.311 3.792 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -0.012 -0.780 5.193 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.165 -1.571 4.137 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.361 -1.172 2.178 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.515 -0.388 3.239 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.172 -1.757 3.925 1.00 0.00 H new ATOM 0 HE22 GLN A 82 3.004 -3.503 4.137 1.00 0.00 H new ATOM 1327 N VAL A 83 -0.865 0.700 1.386 1.00 0.00 N ATOM 1328 CA VAL A 83 -1.430 0.648 0.006 1.00 0.00 C ATOM 1329 C VAL A 83 -1.159 -0.734 -0.587 1.00 0.00 C ATOM 1330 O VAL A 83 -0.029 -1.171 -0.663 1.00 0.00 O ATOM 1331 CB VAL A 83 -0.748 1.713 -0.865 1.00 0.00 C ATOM 1332 CG1 VAL A 83 -1.612 1.995 -2.095 1.00 0.00 C ATOM 1333 CG2 VAL A 83 -0.577 3.000 -0.057 1.00 0.00 C ATOM 0 H VAL A 83 0.132 0.907 1.438 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.503 0.837 0.039 1.00 0.00 H new ATOM 0 HB VAL A 83 0.230 1.351 -1.182 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.128 2.751 -2.714 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.734 1.078 -2.672 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.590 2.357 -1.778 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.093 3.756 -0.675 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.555 3.363 0.261 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.038 2.800 0.820 1.00 0.00 H new ATOM 1343 N GLN A 84 -2.191 -1.426 -1.003 1.00 0.00 N ATOM 1344 CA GLN A 84 -2.010 -2.789 -1.588 1.00 0.00 C ATOM 1345 C GLN A 84 -2.278 -2.735 -3.089 1.00 0.00 C ATOM 1346 O GLN A 84 -3.327 -2.309 -3.529 1.00 0.00 O ATOM 1347 CB GLN A 84 -3.002 -3.749 -0.936 1.00 0.00 C ATOM 1348 CG GLN A 84 -2.643 -3.922 0.539 1.00 0.00 C ATOM 1349 CD GLN A 84 -3.683 -4.817 1.215 1.00 0.00 C ATOM 1350 OE1 GLN A 84 -4.586 -5.312 0.570 1.00 0.00 O ATOM 1351 NE2 GLN A 84 -3.594 -5.047 2.497 1.00 0.00 N ATOM 0 H GLN A 84 -3.157 -1.102 -0.962 1.00 0.00 H new ATOM 0 HA GLN A 84 -0.991 -3.132 -1.410 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -4.017 -3.362 -1.032 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -2.979 -4.714 -1.443 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -1.651 -4.364 0.634 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -2.608 -2.951 1.032 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -2.836 -4.631 3.038 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -4.283 -5.642 2.957 1.00 0.00 H new ATOM 1360 N VAL A 85 -1.330 -3.168 -3.878 1.00 0.00 N ATOM 1361 CA VAL A 85 -1.505 -3.157 -5.359 1.00 0.00 C ATOM 1362 C VAL A 85 -1.815 -4.575 -5.835 1.00 0.00 C ATOM 1363 O VAL A 85 -1.162 -5.529 -5.448 1.00 0.00 O ATOM 1364 CB VAL A 85 -0.221 -2.662 -6.018 1.00 0.00 C ATOM 1365 CG1 VAL A 85 -0.464 -2.470 -7.514 1.00 0.00 C ATOM 1366 CG2 VAL A 85 0.185 -1.325 -5.391 1.00 0.00 C ATOM 0 H VAL A 85 -0.433 -3.532 -3.555 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.326 -2.493 -5.630 1.00 0.00 H new ATOM 0 HB VAL A 85 0.575 -3.392 -5.869 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.451 -2.116 -7.989 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.760 -3.420 -7.959 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.257 -1.737 -7.663 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.102 -0.967 -5.859 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.609 -0.595 -5.545 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.352 -1.460 -4.322 1.00 0.00 H new ATOM 1376 N ASN A 86 -2.815 -4.727 -6.662 1.00 0.00 N ATOM 1377 CA ASN A 86 -3.183 -6.086 -7.156 1.00 0.00 C ATOM 1378 C ASN A 86 -3.685 -5.993 -8.595 1.00 0.00 C ATOM 1379 O ASN A 86 -3.728 -4.931 -9.184 1.00 0.00 O ATOM 1380 CB ASN A 86 -4.295 -6.665 -6.278 1.00 0.00 C ATOM 1381 CG ASN A 86 -5.467 -5.683 -6.211 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -6.385 -5.760 -7.002 1.00 0.00 O ATOM 1383 ND2 ASN A 86 -5.473 -4.753 -5.295 1.00 0.00 N ATOM 0 H ASN A 86 -3.394 -3.966 -7.018 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.305 -6.730 -7.115 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -4.631 -7.619 -6.683 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -3.915 -6.861 -5.275 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -6.248 -4.092 -5.244 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -4.702 -4.687 -4.630 1.00 0.00 H new ATOM 1390 N LYS A 87 -4.066 -7.112 -9.152 1.00 0.00 N ATOM 1391 CA LYS A 87 -4.579 -7.145 -10.555 1.00 0.00 C ATOM 1392 C LYS A 87 -5.489 -5.939 -10.799 1.00 0.00 C ATOM 1393 O LYS A 87 -5.966 -5.320 -9.870 1.00 0.00 O ATOM 1394 CB LYS A 87 -5.376 -8.436 -10.759 1.00 0.00 C ATOM 1395 CG LYS A 87 -5.702 -8.616 -12.244 1.00 0.00 C ATOM 1396 CD LYS A 87 -6.353 -9.983 -12.464 1.00 0.00 C ATOM 1397 CE LYS A 87 -6.645 -10.176 -13.954 1.00 0.00 C ATOM 1398 NZ LYS A 87 -7.578 -9.111 -14.421 1.00 0.00 N ATOM 0 H LYS A 87 -4.043 -8.020 -8.687 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.744 -7.109 -11.254 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.802 -9.289 -10.397 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.297 -8.401 -10.177 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.373 -7.824 -12.578 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -4.792 -8.535 -12.839 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -5.693 -10.774 -12.107 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.276 -10.054 -11.889 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.717 -10.137 -14.525 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -7.084 -11.159 -14.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.039 -9.415 -15.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.301 -8.940 -13.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.046 -8.234 -14.593 1.00 0.00 H new ATOM 1412 N ASN A 88 -5.732 -5.601 -12.038 1.00 0.00 N ATOM 1413 CA ASN A 88 -6.613 -4.435 -12.345 1.00 0.00 C ATOM 1414 C ASN A 88 -5.861 -3.130 -12.069 1.00 0.00 C ATOM 1415 O ASN A 88 -6.140 -2.106 -12.659 1.00 0.00 O ATOM 1416 CB ASN A 88 -7.881 -4.507 -11.464 1.00 0.00 C ATOM 1417 CG ASN A 88 -9.076 -3.900 -12.202 1.00 0.00 C ATOM 1418 OD1 ASN A 88 -10.212 -4.193 -11.888 1.00 0.00 O ATOM 1419 ND2 ASN A 88 -8.865 -3.056 -13.174 1.00 0.00 N ATOM 0 H ASN A 88 -5.357 -6.084 -12.854 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.900 -4.462 -13.396 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.094 -5.544 -11.205 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -7.713 -3.973 -10.529 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -9.654 -2.642 -13.670 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.911 -2.810 -13.438 1.00 0.00 H new ATOM 1426 N SER A 89 -4.916 -3.156 -11.167 1.00 0.00 N ATOM 1427 CA SER A 89 -4.162 -1.912 -10.845 1.00 0.00 C ATOM 1428 C SER A 89 -3.088 -1.664 -11.901 1.00 0.00 C ATOM 1429 O SER A 89 -2.768 -2.531 -12.692 1.00 0.00 O ATOM 1430 CB SER A 89 -3.508 -2.053 -9.473 1.00 0.00 C ATOM 1431 OG SER A 89 -2.935 -0.808 -9.100 1.00 0.00 O ATOM 0 H SER A 89 -4.635 -3.983 -10.641 1.00 0.00 H new ATOM 0 HA SER A 89 -4.852 -1.069 -10.835 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.247 -2.363 -8.734 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.741 -2.827 -9.500 1.00 0.00 H new ATOM 0 HG SER A 89 -3.464 -0.077 -9.482 1.00 0.00 H new ATOM 1437 N SER A 90 -2.529 -0.482 -11.926 1.00 0.00 N ATOM 1438 CA SER A 90 -1.477 -0.167 -12.936 1.00 0.00 C ATOM 1439 C SER A 90 -0.485 0.825 -12.339 1.00 0.00 C ATOM 1440 O SER A 90 -0.707 1.382 -11.280 1.00 0.00 O ATOM 1441 CB SER A 90 -2.125 0.450 -14.169 1.00 0.00 C ATOM 1442 OG SER A 90 -1.112 0.839 -15.086 1.00 0.00 O ATOM 0 H SER A 90 -2.757 0.281 -11.288 1.00 0.00 H new ATOM 0 HA SER A 90 -0.957 -1.083 -13.217 1.00 0.00 H new ATOM 0 HB2 SER A 90 -2.799 -0.267 -14.637 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.726 1.314 -13.885 1.00 0.00 H new ATOM 0 HG SER A 90 -1.458 0.777 -16.001 1.00 0.00 H new ATOM 1448 N ILE A 91 0.614 1.059 -13.010 1.00 0.00 N ATOM 1449 CA ILE A 91 1.632 2.018 -12.492 1.00 0.00 C ATOM 1450 C ILE A 91 2.268 2.766 -13.662 1.00 0.00 C ATOM 1451 O ILE A 91 2.614 2.176 -14.668 1.00 0.00 O ATOM 1452 CB ILE A 91 2.725 1.254 -11.732 1.00 0.00 C ATOM 1453 CG1 ILE A 91 2.119 0.607 -10.479 1.00 0.00 C ATOM 1454 CG2 ILE A 91 3.840 2.228 -11.328 1.00 0.00 C ATOM 1455 CD1 ILE A 91 3.183 -0.213 -9.749 1.00 0.00 C ATOM 0 H ILE A 91 0.850 0.623 -13.901 1.00 0.00 H new ATOM 0 HA ILE A 91 1.147 2.726 -11.820 1.00 0.00 H new ATOM 0 HB ILE A 91 3.141 0.476 -12.372 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.724 1.377 -9.817 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.282 -0.033 -10.758 1.00 0.00 H new ATOM 0 HG21 ILE A 91 4.617 1.687 -10.788 1.00 0.00 H new ATOM 0 HG22 ILE A 91 4.268 2.682 -12.222 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.428 3.007 -10.687 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.745 -0.669 -8.861 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.558 -0.994 -10.411 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.006 0.438 -9.454 1.00 0.00 H new ATOM 1467 N GLU A 92 2.436 4.061 -13.536 1.00 0.00 N ATOM 1468 CA GLU A 92 3.066 4.863 -14.633 1.00 0.00 C ATOM 1469 C GLU A 92 4.243 5.655 -14.064 1.00 0.00 C ATOM 1470 O GLU A 92 4.117 6.363 -13.085 1.00 0.00 O ATOM 1471 CB GLU A 92 2.033 5.829 -15.217 1.00 0.00 C ATOM 1472 CG GLU A 92 2.653 6.586 -16.393 1.00 0.00 C ATOM 1473 CD GLU A 92 1.601 7.502 -17.024 1.00 0.00 C ATOM 1474 OE1 GLU A 92 0.561 7.684 -16.414 1.00 0.00 O ATOM 1475 OE2 GLU A 92 1.854 8.003 -18.107 1.00 0.00 O ATOM 0 H GLU A 92 2.162 4.600 -12.715 1.00 0.00 H new ATOM 0 HA GLU A 92 3.420 4.196 -15.419 1.00 0.00 H new ATOM 0 HB2 GLU A 92 1.152 5.280 -15.548 1.00 0.00 H new ATOM 0 HB3 GLU A 92 1.702 6.531 -14.452 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.505 7.174 -16.052 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.029 5.881 -17.135 1.00 0.00 H new ATOM 1482 N LYS A 93 5.391 5.533 -14.676 1.00 0.00 N ATOM 1483 CA LYS A 93 6.592 6.265 -14.189 1.00 0.00 C ATOM 1484 C LYS A 93 6.474 7.740 -14.558 1.00 0.00 C ATOM 1485 O LYS A 93 6.016 8.086 -15.630 1.00 0.00 O ATOM 1486 CB LYS A 93 7.840 5.677 -14.845 1.00 0.00 C ATOM 1487 CG LYS A 93 8.084 4.271 -14.298 1.00 0.00 C ATOM 1488 CD LYS A 93 9.291 3.648 -15.006 1.00 0.00 C ATOM 1489 CE LYS A 93 9.554 2.247 -14.444 1.00 0.00 C ATOM 1490 NZ LYS A 93 10.709 1.633 -15.160 1.00 0.00 N ATOM 0 H LYS A 93 5.547 4.952 -15.500 1.00 0.00 H new ATOM 0 HA LYS A 93 6.665 6.167 -13.106 1.00 0.00 H new ATOM 0 HB2 LYS A 93 7.714 5.642 -15.927 1.00 0.00 H new ATOM 0 HB3 LYS A 93 8.703 6.312 -14.645 1.00 0.00 H new ATOM 0 HG2 LYS A 93 8.262 4.313 -13.223 1.00 0.00 H new ATOM 0 HG3 LYS A 93 7.200 3.652 -14.451 1.00 0.00 H new ATOM 0 HD2 LYS A 93 9.106 3.591 -16.079 1.00 0.00 H new ATOM 0 HD3 LYS A 93 10.170 4.277 -14.867 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.764 2.305 -13.376 1.00 0.00 H new ATOM 0 HE3 LYS A 93 8.667 1.624 -14.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.888 0.682 -14.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 10.492 1.564 -16.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 11.554 2.224 -15.026 1.00 0.00 H new ATOM 1504 N LEU A 94 6.884 8.613 -13.671 1.00 0.00 N ATOM 1505 CA LEU A 94 6.806 10.087 -13.941 1.00 0.00 C ATOM 1506 C LEU A 94 8.207 10.666 -14.108 1.00 0.00 C ATOM 1507 O LEU A 94 9.114 10.380 -13.349 1.00 0.00 O ATOM 1508 CB LEU A 94 6.081 10.776 -12.772 1.00 0.00 C ATOM 1509 CG LEU A 94 4.560 10.775 -13.020 1.00 0.00 C ATOM 1510 CD1 LEU A 94 4.197 11.753 -14.165 1.00 0.00 C ATOM 1511 CD2 LEU A 94 4.090 9.355 -13.383 1.00 0.00 C ATOM 0 H LEU A 94 7.274 8.367 -12.761 1.00 0.00 H new ATOM 0 HA LEU A 94 6.251 10.259 -14.863 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.306 10.259 -11.839 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.439 11.800 -12.664 1.00 0.00 H new ATOM 0 HG LEU A 94 4.059 11.100 -12.108 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.119 11.740 -14.327 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.511 12.761 -13.895 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.705 11.447 -15.080 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.014 9.361 -13.557 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.602 9.022 -14.286 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.321 8.675 -12.563 1.00 0.00 H new ATOM 1523 N SER A 95 8.378 11.486 -15.108 1.00 0.00 N ATOM 1524 CA SER A 95 9.701 12.107 -15.360 1.00 0.00 C ATOM 1525 C SER A 95 9.837 13.372 -14.515 1.00 0.00 C ATOM 1526 O SER A 95 10.757 14.143 -14.694 1.00 0.00 O ATOM 1527 CB SER A 95 9.811 12.477 -16.837 1.00 0.00 C ATOM 1528 OG SER A 95 9.677 11.303 -17.624 1.00 0.00 O ATOM 0 H SER A 95 7.646 11.753 -15.767 1.00 0.00 H new ATOM 0 HA SER A 95 10.490 11.403 -15.096 1.00 0.00 H new ATOM 0 HB2 SER A 95 9.037 13.197 -17.102 1.00 0.00 H new ATOM 0 HB3 SER A 95 10.771 12.954 -17.034 1.00 0.00 H new ATOM 0 HG SER A 95 9.745 11.536 -18.573 1.00 0.00 H new ATOM 1534 N GLU A 96 8.919 13.599 -13.600 1.00 0.00 N ATOM 1535 CA GLU A 96 8.983 14.821 -12.738 1.00 0.00 C ATOM 1536 C GLU A 96 9.152 14.396 -11.271 1.00 0.00 C ATOM 1537 O GLU A 96 8.183 14.158 -10.574 1.00 0.00 O ATOM 1538 CB GLU A 96 7.679 15.603 -12.884 1.00 0.00 C ATOM 1539 CG GLU A 96 7.519 16.040 -14.344 1.00 0.00 C ATOM 1540 CD GLU A 96 8.597 17.072 -14.691 1.00 0.00 C ATOM 1541 OE1 GLU A 96 9.042 17.763 -13.789 1.00 0.00 O ATOM 1542 OE2 GLU A 96 8.957 17.153 -15.854 1.00 0.00 O ATOM 0 H GLU A 96 8.126 12.985 -13.415 1.00 0.00 H new ATOM 0 HA GLU A 96 9.825 15.443 -13.041 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.834 14.985 -12.581 1.00 0.00 H new ATOM 0 HB3 GLU A 96 7.687 16.474 -12.229 1.00 0.00 H new ATOM 0 HG2 GLU A 96 7.602 15.177 -15.004 1.00 0.00 H new ATOM 0 HG3 GLU A 96 6.528 16.467 -14.500 1.00 0.00 H new ATOM 1549 N PRO A 97 10.373 14.304 -10.803 1.00 0.00 N ATOM 1550 CA PRO A 97 10.671 13.906 -9.394 1.00 0.00 C ATOM 1551 C PRO A 97 9.931 14.784 -8.379 1.00 0.00 C ATOM 1552 O PRO A 97 9.602 15.922 -8.646 1.00 0.00 O ATOM 1553 CB PRO A 97 12.196 14.083 -9.271 1.00 0.00 C ATOM 1554 CG PRO A 97 12.714 14.009 -10.673 1.00 0.00 C ATOM 1555 CD PRO A 97 11.604 14.557 -11.568 1.00 0.00 C ATOM 0 HA PRO A 97 10.343 12.889 -9.180 1.00 0.00 H new ATOM 0 HB2 PRO A 97 12.446 15.038 -8.809 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.634 13.303 -8.648 1.00 0.00 H new ATOM 0 HG2 PRO A 97 13.627 14.595 -10.782 1.00 0.00 H new ATOM 0 HG3 PRO A 97 12.960 12.982 -10.943 1.00 0.00 H new ATOM 0 HD2 PRO A 97 11.739 15.620 -11.766 1.00 0.00 H new ATOM 0 HD3 PRO A 97 11.584 14.053 -12.534 1.00 0.00 H new ATOM 1563 N ILE A 98 9.667 14.250 -7.215 1.00 0.00 N ATOM 1564 CA ILE A 98 8.945 15.025 -6.162 1.00 0.00 C ATOM 1565 C ILE A 98 9.947 15.552 -5.137 1.00 0.00 C ATOM 1566 O ILE A 98 10.883 14.873 -4.761 1.00 0.00 O ATOM 1567 CB ILE A 98 7.927 14.118 -5.476 1.00 0.00 C ATOM 1568 CG1 ILE A 98 6.863 13.715 -6.497 1.00 0.00 C ATOM 1569 CG2 ILE A 98 7.270 14.873 -4.320 1.00 0.00 C ATOM 1570 CD1 ILE A 98 5.981 12.615 -5.911 1.00 0.00 C ATOM 0 H ILE A 98 9.924 13.300 -6.946 1.00 0.00 H new ATOM 0 HA ILE A 98 8.426 15.868 -6.618 1.00 0.00 H new ATOM 0 HB ILE A 98 8.422 13.229 -5.086 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.255 14.579 -6.764 1.00 0.00 H new ATOM 0 HG13 ILE A 98 7.338 13.365 -7.413 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.543 14.226 -3.829 1.00 0.00 H new ATOM 0 HG22 ILE A 98 8.032 15.172 -3.601 1.00 0.00 H new ATOM 0 HG23 ILE A 98 6.766 15.760 -4.704 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.223 12.329 -6.640 1.00 0.00 H new ATOM 0 HD12 ILE A 98 6.595 11.748 -5.667 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.495 12.982 -5.007 1.00 0.00 H new ATOM 1582 N GLU A 99 9.763 16.767 -4.688 1.00 0.00 N ATOM 1583 CA GLU A 99 10.707 17.352 -3.694 1.00 0.00 C ATOM 1584 C GLU A 99 10.246 17.009 -2.279 1.00 0.00 C ATOM 1585 O GLU A 99 9.105 17.216 -1.915 1.00 0.00 O ATOM 1586 CB GLU A 99 10.743 18.875 -3.858 1.00 0.00 C ATOM 1587 CG GLU A 99 11.388 19.233 -5.201 1.00 0.00 C ATOM 1588 CD GLU A 99 11.350 20.750 -5.401 1.00 0.00 C ATOM 1589 OE1 GLU A 99 10.852 21.431 -4.521 1.00 0.00 O ATOM 1590 OE2 GLU A 99 11.825 21.204 -6.430 1.00 0.00 O ATOM 0 H GLU A 99 8.997 17.379 -4.969 1.00 0.00 H new ATOM 0 HA GLU A 99 11.702 16.940 -3.861 1.00 0.00 H new ATOM 0 HB2 GLU A 99 9.732 19.280 -3.809 1.00 0.00 H new ATOM 0 HB3 GLU A 99 11.307 19.326 -3.041 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.418 18.878 -5.227 1.00 0.00 H new ATOM 0 HG3 GLU A 99 10.859 18.736 -6.014 1.00 0.00 H new