USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 749 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 57 ASN : amide:sc= 0 X(o=-0.43,f=-0.47) USER MOD Set 1.2: A 74 ASN : amide:sc= -0.431 K(o=-0.43,f=-0.93!) USER MOD Single : A 1 GLY N :NH3+ -136:sc= -0.0236 (180deg=-0.643) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.74 X(o=-0.74,f=-1.2!) USER MOD Single : A 30 HIS : no HD1:sc=-0.00227 X(o=-0.0023,f=-0.0074) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.0314 X(o=-0.031,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.0512 X(o=-0.051,f=0) USER MOD Single : A 54 ASN :FLIP amide:sc= -4.85! C(o=-6.1!,f=-4.8!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 0:sc= -1.75 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -117:sc= -0.077 (180deg=-1.8!) USER MOD Single : A 64 HIS : no HD1:sc= -0.0179 X(o=-0.018,f=-0.017) USER MOD Single : A 65 SER OG : rot 180:sc= -0.0819 USER MOD Single : A 67 HIS : no HD1:sc= -0.0209 X(o=-0.021,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= -0.0672 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot -130:sc= 0.0862 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.257 X(o=-0.26,f=-0.051) USER MOD Single : A 85 SER OG : rot 64:sc= 0.151 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.548 -17.035 1.642 1.00 0.00 N ATOM 2 CA GLY A 1 -16.507 -16.061 2.074 1.00 0.00 C ATOM 3 C GLY A 1 -16.513 -14.790 1.241 1.00 0.00 C ATOM 4 O GLY A 1 -17.026 -13.762 1.686 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.025 -17.427 2.479 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.245 -16.553 1.039 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.101 -17.806 1.106 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.667 -15.805 3.121 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.526 -16.530 2.007 1.00 0.00 H new ATOM 10 N PRO A 2 -15.945 -14.830 0.019 1.00 0.00 N ATOM 11 CA PRO A 2 -15.889 -13.662 -0.873 1.00 0.00 C ATOM 12 C PRO A 2 -17.269 -13.236 -1.373 1.00 0.00 C ATOM 13 O PRO A 2 -18.062 -14.067 -1.821 1.00 0.00 O ATOM 14 CB PRO A 2 -15.024 -14.145 -2.041 1.00 0.00 C ATOM 15 CG PRO A 2 -15.159 -15.627 -2.029 1.00 0.00 C ATOM 16 CD PRO A 2 -15.309 -16.015 -0.585 1.00 0.00 C ATOM 0 HA PRO A 2 -15.492 -12.785 -0.363 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -15.366 -13.725 -2.987 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -13.985 -13.842 -1.915 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -16.024 -15.945 -2.611 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -14.284 -16.103 -2.472 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -15.926 -16.906 -0.470 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -14.345 -16.233 -0.125 1.00 0.00 H new ATOM 24 N GLY A 3 -17.546 -11.933 -1.297 1.00 0.00 N ATOM 25 CA GLY A 3 -18.828 -11.414 -1.747 1.00 0.00 C ATOM 26 C GLY A 3 -19.080 -9.987 -1.287 1.00 0.00 C ATOM 27 O GLY A 3 -18.915 -9.679 -0.105 1.00 0.00 O ATOM 0 H GLY A 3 -16.905 -11.229 -0.932 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -18.869 -11.453 -2.836 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -19.626 -12.057 -1.375 1.00 0.00 H new ATOM 31 N PRO A 4 -19.484 -9.085 -2.204 1.00 0.00 N ATOM 32 CA PRO A 4 -19.756 -7.684 -1.875 1.00 0.00 C ATOM 33 C PRO A 4 -21.173 -7.465 -1.340 1.00 0.00 C ATOM 34 O PRO A 4 -21.980 -8.396 -1.288 1.00 0.00 O ATOM 35 CB PRO A 4 -19.579 -6.986 -3.221 1.00 0.00 C ATOM 36 CG PRO A 4 -20.000 -8.001 -4.230 1.00 0.00 C ATOM 37 CD PRO A 4 -19.705 -9.359 -3.638 1.00 0.00 C ATOM 0 HA PRO A 4 -19.104 -7.312 -1.085 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -20.191 -6.086 -3.284 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -18.545 -6.679 -3.375 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -21.061 -7.902 -4.458 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -19.459 -7.862 -5.166 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -20.535 -10.049 -3.789 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -18.827 -9.812 -4.098 1.00 0.00 H new ATOM 45 N ALA A 5 -21.465 -6.225 -0.947 1.00 0.00 N ATOM 46 CA ALA A 5 -22.781 -5.868 -0.420 1.00 0.00 C ATOM 47 C ALA A 5 -23.313 -4.586 -1.064 1.00 0.00 C ATOM 48 O ALA A 5 -24.479 -4.521 -1.458 1.00 0.00 O ATOM 49 CB ALA A 5 -22.723 -5.719 1.094 1.00 0.00 C ATOM 0 H ALA A 5 -20.805 -5.449 -0.984 1.00 0.00 H new ATOM 0 HA ALA A 5 -23.470 -6.675 -0.669 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -23.710 -5.453 1.472 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -22.406 -6.661 1.540 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -22.012 -4.936 1.356 1.00 0.00 H new ATOM 55 N ILE A 6 -22.453 -3.570 -1.168 1.00 0.00 N ATOM 56 CA ILE A 6 -22.833 -2.291 -1.763 1.00 0.00 C ATOM 57 C ILE A 6 -22.576 -2.282 -3.274 1.00 0.00 C ATOM 58 O ILE A 6 -23.371 -1.731 -4.038 1.00 0.00 O ATOM 59 CB ILE A 6 -22.089 -1.100 -1.092 1.00 0.00 C ATOM 60 CG1 ILE A 6 -21.986 0.086 -2.052 1.00 0.00 C ATOM 61 CG2 ILE A 6 -20.699 -1.511 -0.616 1.00 0.00 C ATOM 62 CD1 ILE A 6 -21.498 1.360 -1.397 1.00 0.00 C ATOM 0 H ILE A 6 -21.486 -3.611 -0.846 1.00 0.00 H new ATOM 0 HA ILE A 6 -23.902 -2.168 -1.589 1.00 0.00 H new ATOM 0 HB ILE A 6 -22.672 -0.798 -0.222 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -21.310 -0.175 -2.866 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -22.965 0.268 -2.496 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -20.206 -0.657 -0.152 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -20.787 -2.318 0.111 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -20.109 -1.852 -1.467 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -21.451 2.156 -2.140 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -22.186 1.646 -0.601 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -20.505 1.196 -0.977 1.00 0.00 H new ATOM 74 N GLY A 7 -21.467 -2.893 -3.700 1.00 0.00 N ATOM 75 CA GLY A 7 -21.139 -2.935 -5.116 1.00 0.00 C ATOM 76 C GLY A 7 -19.671 -3.207 -5.370 1.00 0.00 C ATOM 77 O GLY A 7 -19.090 -4.113 -4.770 1.00 0.00 O ATOM 0 H GLY A 7 -20.794 -3.357 -3.090 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.736 -3.708 -5.600 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.413 -1.986 -5.576 1.00 0.00 H new ATOM 81 N GLU A 8 -19.073 -2.424 -6.265 1.00 0.00 N ATOM 82 CA GLU A 8 -17.664 -2.585 -6.603 1.00 0.00 C ATOM 83 C GLU A 8 -16.916 -1.257 -6.500 1.00 0.00 C ATOM 84 O GLU A 8 -17.413 -0.219 -6.939 1.00 0.00 O ATOM 85 CB GLU A 8 -17.517 -3.159 -8.015 1.00 0.00 C ATOM 86 CG GLU A 8 -18.176 -4.518 -8.193 1.00 0.00 C ATOM 87 CD GLU A 8 -19.463 -4.444 -8.991 1.00 0.00 C ATOM 88 OE1 GLU A 8 -20.504 -4.080 -8.406 1.00 0.00 O ATOM 89 OE2 GLU A 8 -19.430 -4.753 -10.200 1.00 0.00 O ATOM 0 H GLU A 8 -19.544 -1.672 -6.768 1.00 0.00 H new ATOM 0 HA GLU A 8 -17.226 -3.280 -5.887 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -17.950 -2.459 -8.729 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -16.457 -3.245 -8.255 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -17.481 -5.192 -8.694 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -18.385 -4.947 -7.213 1.00 0.00 H new ATOM 96 N VAL A 9 -15.718 -1.302 -5.917 1.00 0.00 N ATOM 97 CA VAL A 9 -14.890 -0.108 -5.755 1.00 0.00 C ATOM 98 C VAL A 9 -13.509 -0.315 -6.374 1.00 0.00 C ATOM 99 O VAL A 9 -12.953 -1.412 -6.320 1.00 0.00 O ATOM 100 CB VAL A 9 -14.745 0.283 -4.268 1.00 0.00 C ATOM 101 CG1 VAL A 9 -13.648 1.322 -4.076 1.00 0.00 C ATOM 102 CG2 VAL A 9 -16.069 0.800 -3.732 1.00 0.00 C ATOM 0 H VAL A 9 -15.299 -2.156 -5.548 1.00 0.00 H new ATOM 0 HA VAL A 9 -15.393 0.707 -6.276 1.00 0.00 H new ATOM 0 HB VAL A 9 -14.461 -0.608 -3.708 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -13.570 1.577 -3.019 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -12.698 0.916 -4.423 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -13.891 2.217 -4.648 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -15.955 1.073 -2.683 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -16.376 1.676 -4.303 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -16.827 0.023 -3.825 1.00 0.00 H new ATOM 112 N ILE A 10 -12.968 0.747 -6.968 1.00 0.00 N ATOM 113 CA ILE A 10 -11.657 0.688 -7.609 1.00 0.00 C ATOM 114 C ILE A 10 -10.636 1.569 -6.892 1.00 0.00 C ATOM 115 O ILE A 10 -11.001 2.481 -6.149 1.00 0.00 O ATOM 116 CB ILE A 10 -11.733 1.111 -9.090 1.00 0.00 C ATOM 117 CG1 ILE A 10 -12.177 2.578 -9.221 1.00 0.00 C ATOM 118 CG2 ILE A 10 -12.675 0.186 -9.852 1.00 0.00 C ATOM 119 CD1 ILE A 10 -13.677 2.770 -9.324 1.00 0.00 C ATOM 0 H ILE A 10 -13.419 1.660 -7.018 1.00 0.00 H new ATOM 0 HA ILE A 10 -11.333 -0.351 -7.548 1.00 0.00 H new ATOM 0 HB ILE A 10 -10.737 1.027 -9.526 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -11.810 3.135 -8.359 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -11.706 3.010 -10.104 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -12.721 0.494 -10.897 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -12.307 -0.838 -9.791 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -13.671 0.240 -9.414 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -13.903 3.833 -9.413 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -14.052 2.245 -10.202 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -14.157 2.371 -8.430 1.00 0.00 H new ATOM 131 N GLY A 11 -9.353 1.289 -7.131 1.00 0.00 N ATOM 132 CA GLY A 11 -8.291 2.063 -6.511 1.00 0.00 C ATOM 133 C GLY A 11 -7.541 2.925 -7.510 1.00 0.00 C ATOM 134 O GLY A 11 -8.079 3.253 -8.570 1.00 0.00 O ATOM 0 H GLY A 11 -9.033 0.539 -7.744 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -8.715 2.699 -5.734 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.590 1.386 -6.022 1.00 0.00 H new ATOM 138 N ILE A 12 -6.299 3.303 -7.181 1.00 0.00 N ATOM 139 CA ILE A 12 -5.506 4.136 -8.076 1.00 0.00 C ATOM 140 C ILE A 12 -4.561 3.292 -8.938 1.00 0.00 C ATOM 141 O ILE A 12 -4.371 2.102 -8.685 1.00 0.00 O ATOM 142 CB ILE A 12 -4.696 5.183 -7.290 1.00 0.00 C ATOM 143 CG1 ILE A 12 -3.493 4.523 -6.593 1.00 0.00 C ATOM 144 CG2 ILE A 12 -5.594 5.920 -6.304 1.00 0.00 C ATOM 145 CD1 ILE A 12 -3.693 4.190 -5.128 1.00 0.00 C ATOM 0 H ILE A 12 -5.832 3.046 -6.312 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.206 4.653 -8.733 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.301 5.922 -7.987 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.244 3.605 -7.126 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.633 5.187 -6.683 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.006 6.656 -5.757 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.393 6.425 -6.847 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -6.026 5.207 -5.602 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.788 3.729 -4.733 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.907 5.103 -4.573 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.528 3.497 -5.023 1.00 0.00 H new ATOM 157 N SER A 13 -3.984 3.915 -9.966 1.00 0.00 N ATOM 158 CA SER A 13 -3.073 3.223 -10.881 1.00 0.00 C ATOM 159 C SER A 13 -1.614 3.325 -10.433 1.00 0.00 C ATOM 160 O SER A 13 -1.200 4.325 -9.838 1.00 0.00 O ATOM 161 CB SER A 13 -3.209 3.801 -12.288 1.00 0.00 C ATOM 162 OG SER A 13 -4.368 3.307 -12.937 1.00 0.00 O ATOM 0 H SER A 13 -4.131 4.900 -10.187 1.00 0.00 H new ATOM 0 HA SER A 13 -3.352 2.169 -10.877 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.255 4.889 -12.234 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.326 3.548 -12.874 1.00 0.00 H new ATOM 0 HG SER A 13 -4.431 3.695 -13.835 1.00 0.00 H new ATOM 168 N VAL A 14 -0.830 2.293 -10.768 1.00 0.00 N ATOM 169 CA VAL A 14 0.594 2.264 -10.441 1.00 0.00 C ATOM 170 C VAL A 14 1.339 3.368 -11.193 1.00 0.00 C ATOM 171 O VAL A 14 2.447 3.754 -10.817 1.00 0.00 O ATOM 172 CB VAL A 14 1.234 0.899 -10.775 1.00 0.00 C ATOM 173 CG1 VAL A 14 1.161 0.621 -12.268 1.00 0.00 C ATOM 174 CG2 VAL A 14 2.676 0.851 -10.285 1.00 0.00 C ATOM 0 H VAL A 14 -1.162 1.467 -11.266 1.00 0.00 H new ATOM 0 HA VAL A 14 0.678 2.428 -9.367 1.00 0.00 H new ATOM 0 HB VAL A 14 0.672 0.121 -10.259 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.618 -0.346 -12.481 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.118 0.607 -12.585 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.695 1.402 -12.810 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.111 -0.118 -10.529 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.251 1.640 -10.770 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.698 0.997 -9.205 1.00 0.00 H new ATOM 184 N ASN A 15 0.713 3.874 -12.258 1.00 0.00 N ATOM 185 CA ASN A 15 1.295 4.933 -13.063 1.00 0.00 C ATOM 186 C ASN A 15 1.605 6.162 -12.210 1.00 0.00 C ATOM 187 O ASN A 15 2.621 6.826 -12.414 1.00 0.00 O ATOM 188 CB ASN A 15 0.340 5.316 -14.189 1.00 0.00 C ATOM 189 CG ASN A 15 1.050 5.925 -15.386 1.00 0.00 C ATOM 190 OD1 ASN A 15 2.192 6.376 -15.288 1.00 0.00 O ATOM 191 ND2 ASN A 15 0.373 5.941 -16.528 1.00 0.00 N ATOM 0 H ASN A 15 -0.203 3.560 -12.579 1.00 0.00 H new ATOM 0 HA ASN A 15 2.229 4.563 -13.487 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -0.208 4.430 -14.510 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -0.395 6.026 -13.809 1.00 0.00 H new ATOM 0 HD21 ASN A 15 0.797 6.337 -17.367 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -0.571 5.557 -16.567 1.00 0.00 H new ATOM 198 N ASP A 16 0.718 6.456 -11.253 1.00 0.00 N ATOM 199 CA ASP A 16 0.894 7.607 -10.368 1.00 0.00 C ATOM 200 C ASP A 16 2.220 7.518 -9.608 1.00 0.00 C ATOM 201 O ASP A 16 2.413 6.624 -8.786 1.00 0.00 O ATOM 202 CB ASP A 16 -0.280 7.713 -9.396 1.00 0.00 C ATOM 203 CG ASP A 16 -0.221 8.965 -8.543 1.00 0.00 C ATOM 204 OD1 ASP A 16 0.380 8.911 -7.453 1.00 0.00 O ATOM 205 OD2 ASP A 16 -0.774 10.000 -8.968 1.00 0.00 O ATOM 0 H ASP A 16 -0.126 5.913 -11.074 1.00 0.00 H new ATOM 0 HA ASP A 16 0.920 8.508 -10.981 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.214 7.705 -9.958 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.290 6.837 -8.748 1.00 0.00 H new ATOM 210 N PRO A 17 3.156 8.447 -9.895 1.00 0.00 N ATOM 211 CA PRO A 17 4.489 8.482 -9.267 1.00 0.00 C ATOM 212 C PRO A 17 4.464 8.546 -7.739 1.00 0.00 C ATOM 213 O PRO A 17 5.405 8.090 -7.090 1.00 0.00 O ATOM 214 CB PRO A 17 5.131 9.755 -9.838 1.00 0.00 C ATOM 215 CG PRO A 17 4.005 10.542 -10.414 1.00 0.00 C ATOM 216 CD PRO A 17 2.997 9.535 -10.873 1.00 0.00 C ATOM 0 HA PRO A 17 5.034 7.564 -9.485 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.646 10.318 -9.060 1.00 0.00 H new ATOM 0 HB3 PRO A 17 5.872 9.513 -10.600 1.00 0.00 H new ATOM 0 HG2 PRO A 17 3.576 11.213 -9.670 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.345 11.161 -11.244 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.986 9.942 -10.865 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.196 9.197 -11.890 1.00 0.00 H new ATOM 224 N ARG A 18 3.401 9.109 -7.165 1.00 0.00 N ATOM 225 CA ARG A 18 3.291 9.219 -5.713 1.00 0.00 C ATOM 226 C ARG A 18 2.839 7.896 -5.100 1.00 0.00 C ATOM 227 O ARG A 18 3.320 7.493 -4.044 1.00 0.00 O ATOM 228 CB ARG A 18 2.322 10.336 -5.328 1.00 0.00 C ATOM 229 CG ARG A 18 2.699 11.689 -5.901 1.00 0.00 C ATOM 230 CD ARG A 18 2.218 11.832 -7.334 1.00 0.00 C ATOM 231 NE ARG A 18 1.308 12.963 -7.517 1.00 0.00 N ATOM 232 CZ ARG A 18 0.681 13.235 -8.664 1.00 0.00 C ATOM 233 NH1 ARG A 18 0.861 12.462 -9.731 1.00 0.00 N ATOM 234 NH2 ARG A 18 -0.129 14.284 -8.746 1.00 0.00 N ATOM 0 H ARG A 18 2.609 9.493 -7.680 1.00 0.00 H new ATOM 0 HA ARG A 18 4.278 9.463 -5.320 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.321 10.072 -5.670 1.00 0.00 H new ATOM 0 HB3 ARG A 18 2.279 10.410 -4.241 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.266 12.480 -5.289 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.781 11.814 -5.864 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.079 11.955 -7.991 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.714 10.914 -7.637 1.00 0.00 H new ATOM 0 HE ARG A 18 1.143 13.580 -6.722 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.482 11.654 -9.677 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.378 12.677 -10.604 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.272 14.882 -7.933 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -0.608 14.491 -9.622 1.00 0.00 H new ATOM 248 N VAL A 19 1.920 7.224 -5.783 1.00 0.00 N ATOM 249 CA VAL A 19 1.392 5.943 -5.335 1.00 0.00 C ATOM 250 C VAL A 19 2.474 4.856 -5.388 1.00 0.00 C ATOM 251 O VAL A 19 2.573 4.028 -4.483 1.00 0.00 O ATOM 252 CB VAL A 19 0.184 5.521 -6.205 1.00 0.00 C ATOM 253 CG1 VAL A 19 -0.191 4.068 -5.954 1.00 0.00 C ATOM 254 CG2 VAL A 19 -1.017 6.426 -5.961 1.00 0.00 C ATOM 0 H VAL A 19 1.521 7.552 -6.662 1.00 0.00 H new ATOM 0 HA VAL A 19 1.064 6.059 -4.302 1.00 0.00 H new ATOM 0 HB VAL A 19 0.483 5.625 -7.248 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.043 3.799 -6.579 1.00 0.00 H new ATOM 0 HG12 VAL A 19 0.655 3.426 -6.199 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.455 3.936 -4.905 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.849 6.103 -6.587 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.309 6.369 -4.912 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.754 7.454 -6.209 1.00 0.00 H new ATOM 264 N LYS A 20 3.275 4.867 -6.455 1.00 0.00 N ATOM 265 CA LYS A 20 4.348 3.882 -6.634 1.00 0.00 C ATOM 266 C LYS A 20 5.535 4.149 -5.704 1.00 0.00 C ATOM 267 O LYS A 20 6.188 3.210 -5.245 1.00 0.00 O ATOM 268 CB LYS A 20 4.829 3.864 -8.092 1.00 0.00 C ATOM 269 CG LYS A 20 4.877 5.237 -8.744 1.00 0.00 C ATOM 270 CD LYS A 20 6.154 5.446 -9.536 1.00 0.00 C ATOM 271 CE LYS A 20 5.861 5.735 -11.000 1.00 0.00 C ATOM 272 NZ LYS A 20 6.981 5.317 -11.887 1.00 0.00 N ATOM 0 H LYS A 20 3.202 5.548 -7.211 1.00 0.00 H new ATOM 0 HA LYS A 20 3.931 2.908 -6.377 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.824 3.420 -8.130 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.170 3.220 -8.674 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.018 5.355 -9.404 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.797 6.006 -7.976 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.718 6.274 -9.107 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.781 4.558 -9.458 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.950 5.215 -11.297 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.675 6.801 -11.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.740 5.532 -12.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.845 5.832 -11.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.142 4.295 -11.784 1.00 0.00 H new ATOM 286 N GLU A 21 5.817 5.425 -5.430 1.00 0.00 N ATOM 287 CA GLU A 21 6.931 5.791 -4.560 1.00 0.00 C ATOM 288 C GLU A 21 6.570 5.580 -3.096 1.00 0.00 C ATOM 289 O GLU A 21 7.401 5.157 -2.291 1.00 0.00 O ATOM 290 CB GLU A 21 7.341 7.244 -4.796 1.00 0.00 C ATOM 291 CG GLU A 21 6.355 8.267 -4.265 1.00 0.00 C ATOM 292 CD GLU A 21 6.860 9.688 -4.414 1.00 0.00 C ATOM 293 OE1 GLU A 21 7.659 10.124 -3.559 1.00 0.00 O ATOM 294 OE2 GLU A 21 6.459 10.365 -5.385 1.00 0.00 O ATOM 0 H GLU A 21 5.290 6.217 -5.798 1.00 0.00 H new ATOM 0 HA GLU A 21 7.774 5.144 -4.803 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.311 7.416 -4.329 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.470 7.403 -5.867 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.408 8.164 -4.794 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.156 8.064 -3.213 1.00 0.00 H new ATOM 301 N ILE A 22 5.323 5.883 -2.765 1.00 0.00 N ATOM 302 CA ILE A 22 4.833 5.734 -1.406 1.00 0.00 C ATOM 303 C ILE A 22 4.570 4.253 -1.081 1.00 0.00 C ATOM 304 O ILE A 22 4.758 3.816 0.058 1.00 0.00 O ATOM 305 CB ILE A 22 3.580 6.619 -1.188 1.00 0.00 C ATOM 306 CG1 ILE A 22 3.976 8.090 -1.348 1.00 0.00 C ATOM 307 CG2 ILE A 22 2.957 6.398 0.184 1.00 0.00 C ATOM 308 CD1 ILE A 22 2.803 9.032 -1.461 1.00 0.00 C ATOM 0 H ILE A 22 4.630 6.236 -3.425 1.00 0.00 H new ATOM 0 HA ILE A 22 5.598 6.078 -0.710 1.00 0.00 H new ATOM 0 HB ILE A 22 2.833 6.342 -1.932 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.586 8.386 -0.495 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.599 8.193 -2.236 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.082 7.038 0.294 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.658 5.355 0.284 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.685 6.643 0.958 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.166 10.054 -1.571 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.204 8.764 -2.331 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.191 8.960 -0.562 1.00 0.00 H new ATOM 320 N ALA A 23 4.188 3.473 -2.104 1.00 0.00 N ATOM 321 CA ALA A 23 3.955 2.033 -1.942 1.00 0.00 C ATOM 322 C ALA A 23 5.277 1.308 -1.683 1.00 0.00 C ATOM 323 O ALA A 23 5.412 0.555 -0.710 1.00 0.00 O ATOM 324 CB ALA A 23 3.279 1.467 -3.180 1.00 0.00 C ATOM 0 H ALA A 23 4.034 3.817 -3.052 1.00 0.00 H new ATOM 0 HA ALA A 23 3.299 1.880 -1.085 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.112 0.398 -3.047 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.323 1.967 -3.333 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.917 1.629 -4.049 1.00 0.00 H new ATOM 330 N GLU A 24 6.256 1.558 -2.557 1.00 0.00 N ATOM 331 CA GLU A 24 7.576 0.960 -2.433 1.00 0.00 C ATOM 332 C GLU A 24 8.169 1.273 -1.065 1.00 0.00 C ATOM 333 O GLU A 24 8.660 0.379 -0.374 1.00 0.00 O ATOM 334 CB GLU A 24 8.493 1.452 -3.555 1.00 0.00 C ATOM 335 CG GLU A 24 9.148 2.796 -3.293 1.00 0.00 C ATOM 336 CD GLU A 24 10.076 3.224 -4.414 1.00 0.00 C ATOM 337 OE1 GLU A 24 11.145 2.598 -4.574 1.00 0.00 O ATOM 338 OE2 GLU A 24 9.737 4.186 -5.131 1.00 0.00 O ATOM 0 H GLU A 24 6.152 2.176 -3.362 1.00 0.00 H new ATOM 0 HA GLU A 24 7.483 -0.122 -2.525 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.273 0.709 -3.721 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.914 1.518 -4.476 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.375 3.552 -3.158 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.710 2.746 -2.361 1.00 0.00 H new ATOM 345 N PHE A 25 8.092 2.547 -0.667 1.00 0.00 N ATOM 346 CA PHE A 25 8.592 2.970 0.636 1.00 0.00 C ATOM 347 C PHE A 25 7.933 2.145 1.735 1.00 0.00 C ATOM 348 O PHE A 25 8.577 1.781 2.720 1.00 0.00 O ATOM 349 CB PHE A 25 8.319 4.455 0.882 1.00 0.00 C ATOM 350 CG PHE A 25 8.933 4.968 2.159 1.00 0.00 C ATOM 351 CD1 PHE A 25 8.345 4.703 3.391 1.00 0.00 C ATOM 352 CD2 PHE A 25 10.101 5.710 2.127 1.00 0.00 C ATOM 353 CE1 PHE A 25 8.915 5.170 4.559 1.00 0.00 C ATOM 354 CE2 PHE A 25 10.674 6.179 3.294 1.00 0.00 C ATOM 355 CZ PHE A 25 10.080 5.908 4.510 1.00 0.00 C ATOM 0 H PHE A 25 7.689 3.297 -1.229 1.00 0.00 H new ATOM 0 HA PHE A 25 9.670 2.812 0.649 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.706 5.033 0.043 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.242 4.620 0.913 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.433 4.126 3.435 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.570 5.925 1.178 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.449 4.958 5.510 1.00 0.00 H new ATOM 0 HE2 PHE A 25 11.586 6.757 3.254 1.00 0.00 H new ATOM 0 HZ PHE A 25 10.527 6.273 5.423 1.00 0.00 H new ATOM 365 N ALA A 26 6.642 1.848 1.552 1.00 0.00 N ATOM 366 CA ALA A 26 5.894 1.058 2.525 1.00 0.00 C ATOM 367 C ALA A 26 6.568 -0.290 2.779 1.00 0.00 C ATOM 368 O ALA A 26 6.800 -0.662 3.929 1.00 0.00 O ATOM 369 CB ALA A 26 4.460 0.853 2.061 1.00 0.00 C ATOM 0 H ALA A 26 6.099 2.143 0.741 1.00 0.00 H new ATOM 0 HA ALA A 26 5.882 1.612 3.464 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.919 0.262 2.800 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.973 1.821 1.944 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.458 0.329 1.105 1.00 0.00 H new ATOM 375 N LEU A 27 6.876 -1.020 1.702 1.00 0.00 N ATOM 376 CA LEU A 27 7.520 -2.336 1.822 1.00 0.00 C ATOM 377 C LEU A 27 8.903 -2.242 2.481 1.00 0.00 C ATOM 378 O LEU A 27 9.238 -3.053 3.344 1.00 0.00 O ATOM 379 CB LEU A 27 7.635 -3.016 0.445 1.00 0.00 C ATOM 380 CG LEU A 27 8.845 -3.937 0.259 1.00 0.00 C ATOM 381 CD1 LEU A 27 8.721 -5.165 1.150 1.00 0.00 C ATOM 382 CD2 LEU A 27 8.984 -4.345 -1.200 1.00 0.00 C ATOM 0 H LEU A 27 6.692 -0.726 0.743 1.00 0.00 H new ATOM 0 HA LEU A 27 6.885 -2.944 2.467 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.729 -3.597 0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.670 -2.241 -0.321 1.00 0.00 H new ATOM 0 HG LEU A 27 9.743 -3.392 0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.589 -5.809 1.005 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.670 -4.854 2.193 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.815 -5.713 0.890 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.848 -4.999 -1.314 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.085 -4.873 -1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.118 -3.455 -1.815 1.00 0.00 H new ATOM 394 N LYS A 28 9.708 -1.267 2.055 1.00 0.00 N ATOM 395 CA LYS A 28 11.063 -1.091 2.591 1.00 0.00 C ATOM 396 C LYS A 28 11.076 -0.533 4.023 1.00 0.00 C ATOM 397 O LYS A 28 12.096 -0.624 4.708 1.00 0.00 O ATOM 398 CB LYS A 28 11.888 -0.188 1.666 1.00 0.00 C ATOM 399 CG LYS A 28 11.488 1.280 1.709 1.00 0.00 C ATOM 400 CD LYS A 28 12.707 2.186 1.801 1.00 0.00 C ATOM 401 CE LYS A 28 12.632 3.332 0.805 1.00 0.00 C ATOM 402 NZ LYS A 28 13.977 3.709 0.288 1.00 0.00 N ATOM 0 H LYS A 28 9.447 -0.587 1.341 1.00 0.00 H new ATOM 0 HA LYS A 28 11.512 -2.083 2.635 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.940 -0.274 1.936 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.791 -0.550 0.642 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.915 1.529 0.816 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.837 1.456 2.565 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.787 2.587 2.811 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.609 1.602 1.617 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.990 3.047 -0.028 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.171 4.197 1.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.882 4.494 -0.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.583 4.006 1.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.407 2.891 -0.189 1.00 0.00 H new ATOM 416 N GLN A 29 9.960 0.049 4.471 1.00 0.00 N ATOM 417 CA GLN A 29 9.886 0.619 5.820 1.00 0.00 C ATOM 418 C GLN A 29 9.596 -0.457 6.869 1.00 0.00 C ATOM 419 O GLN A 29 10.156 -0.423 7.966 1.00 0.00 O ATOM 420 CB GLN A 29 8.819 1.716 5.886 1.00 0.00 C ATOM 421 CG GLN A 29 8.850 2.528 7.176 1.00 0.00 C ATOM 422 CD GLN A 29 10.240 3.033 7.530 1.00 0.00 C ATOM 423 OE1 GLN A 29 11.107 2.264 7.941 1.00 0.00 O ATOM 424 NE2 GLN A 29 10.457 4.335 7.381 1.00 0.00 N ATOM 0 H GLN A 29 9.103 0.138 3.926 1.00 0.00 H new ATOM 0 HA GLN A 29 10.859 1.056 6.043 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.952 2.390 5.040 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.835 1.260 5.779 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.175 3.378 7.079 1.00 0.00 H new ATOM 0 HG3 GLN A 29 8.474 1.914 7.994 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.711 4.940 7.037 1.00 0.00 H new ATOM 0 HE22 GLN A 29 11.369 4.730 7.611 1.00 0.00 H new ATOM 433 N HIS A 30 8.734 -1.417 6.526 1.00 0.00 N ATOM 434 CA HIS A 30 8.394 -2.505 7.441 1.00 0.00 C ATOM 435 C HIS A 30 9.017 -3.809 6.967 1.00 0.00 C ATOM 436 O HIS A 30 8.875 -4.190 5.805 1.00 0.00 O ATOM 437 CB HIS A 30 6.882 -2.672 7.563 1.00 0.00 C ATOM 438 CG HIS A 30 6.458 -3.245 8.877 1.00 0.00 C ATOM 439 ND1 HIS A 30 5.945 -2.487 9.907 1.00 0.00 N ATOM 440 CD2 HIS A 30 6.480 -4.518 9.325 1.00 0.00 C ATOM 441 CE1 HIS A 30 5.669 -3.271 10.933 1.00 0.00 C ATOM 442 NE2 HIS A 30 5.984 -4.509 10.605 1.00 0.00 N ATOM 0 H HIS A 30 8.261 -1.462 5.624 1.00 0.00 H new ATOM 0 HA HIS A 30 8.793 -2.250 8.423 1.00 0.00 H new ATOM 0 HB2 HIS A 30 6.403 -1.702 7.425 1.00 0.00 H new ATOM 0 HB3 HIS A 30 6.528 -3.319 6.760 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.824 -5.383 8.778 1.00 0.00 H new ATOM 0 HE1 HIS A 30 5.256 -2.953 11.879 1.00 0.00 H new ATOM 0 HE2 HIS A 30 5.877 -5.327 11.205 1.00 0.00 H new ATOM 451 N ALA A 31 9.712 -4.486 7.872 1.00 0.00 N ATOM 452 CA ALA A 31 10.366 -5.748 7.546 1.00 0.00 C ATOM 453 C ALA A 31 10.895 -6.447 8.800 1.00 0.00 C ATOM 454 O ALA A 31 11.996 -7.002 8.797 1.00 0.00 O ATOM 455 CB ALA A 31 11.487 -5.500 6.548 1.00 0.00 C ATOM 0 H ALA A 31 9.838 -4.183 8.838 1.00 0.00 H new ATOM 0 HA ALA A 31 9.629 -6.413 7.096 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.974 -6.445 6.306 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.075 -5.061 5.639 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.216 -4.816 6.983 1.00 0.00 H new ATOM 461 N GLU A 32 10.099 -6.417 9.871 1.00 0.00 N ATOM 462 CA GLU A 32 10.474 -7.043 11.135 1.00 0.00 C ATOM 463 C GLU A 32 10.589 -8.564 10.982 1.00 0.00 C ATOM 464 O GLU A 32 11.469 -9.190 11.574 1.00 0.00 O ATOM 465 CB GLU A 32 9.452 -6.663 12.222 1.00 0.00 C ATOM 466 CG GLU A 32 9.039 -7.801 13.142 1.00 0.00 C ATOM 467 CD GLU A 32 9.906 -7.893 14.383 1.00 0.00 C ATOM 468 OE1 GLU A 32 11.050 -8.383 14.275 1.00 0.00 O ATOM 469 OE2 GLU A 32 9.442 -7.473 15.463 1.00 0.00 O ATOM 0 H GLU A 32 9.186 -5.962 9.885 1.00 0.00 H new ATOM 0 HA GLU A 32 11.455 -6.676 11.436 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.871 -5.860 12.828 1.00 0.00 H new ATOM 0 HB3 GLU A 32 8.560 -6.265 11.738 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.999 -7.664 13.439 1.00 0.00 H new ATOM 0 HG3 GLU A 32 9.093 -8.743 12.595 1.00 0.00 H new ATOM 476 N GLN A 33 9.701 -9.142 10.175 1.00 0.00 N ATOM 477 CA GLN A 33 9.697 -10.588 9.929 1.00 0.00 C ATOM 478 C GLN A 33 10.354 -10.933 8.582 1.00 0.00 C ATOM 479 O GLN A 33 10.302 -12.082 8.143 1.00 0.00 O ATOM 480 CB GLN A 33 8.265 -11.151 9.975 1.00 0.00 C ATOM 481 CG GLN A 33 7.173 -10.091 10.059 1.00 0.00 C ATOM 482 CD GLN A 33 5.787 -10.682 10.237 1.00 0.00 C ATOM 483 OE1 GLN A 33 5.475 -11.259 11.277 1.00 0.00 O ATOM 484 NE2 GLN A 33 4.941 -10.534 9.222 1.00 0.00 N ATOM 0 H GLN A 33 8.972 -8.631 9.678 1.00 0.00 H new ATOM 0 HA GLN A 33 10.283 -11.051 10.723 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.098 -11.758 9.085 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.176 -11.815 10.835 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.387 -9.422 10.893 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.191 -9.486 9.152 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.239 -10.049 8.376 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.994 -10.906 9.289 1.00 0.00 H new ATOM 493 N ASN A 34 10.984 -9.937 7.944 1.00 0.00 N ATOM 494 CA ASN A 34 11.667 -10.124 6.663 1.00 0.00 C ATOM 495 C ASN A 34 10.760 -10.773 5.611 1.00 0.00 C ATOM 496 O ASN A 34 10.747 -11.996 5.456 1.00 0.00 O ATOM 497 CB ASN A 34 12.935 -10.958 6.863 1.00 0.00 C ATOM 498 CG ASN A 34 13.745 -11.111 5.588 1.00 0.00 C ATOM 499 OD1 ASN A 34 14.287 -10.138 5.063 1.00 0.00 O ATOM 500 ND2 ASN A 34 13.832 -12.336 5.080 1.00 0.00 N ATOM 0 H ASN A 34 11.033 -8.983 8.302 1.00 0.00 H new ATOM 0 HA ASN A 34 11.937 -9.137 6.288 1.00 0.00 H new ATOM 0 HB2 ASN A 34 13.555 -10.491 7.628 1.00 0.00 H new ATOM 0 HB3 ASN A 34 12.660 -11.945 7.234 1.00 0.00 H new ATOM 0 HD21 ASN A 34 14.363 -12.497 4.224 1.00 0.00 H new ATOM 0 HD22 ASN A 34 13.368 -13.116 5.546 1.00 0.00 H new ATOM 507 N LEU A 35 10.019 -9.938 4.882 1.00 0.00 N ATOM 508 CA LEU A 35 9.119 -10.411 3.827 1.00 0.00 C ATOM 509 C LEU A 35 9.388 -9.669 2.523 1.00 0.00 C ATOM 510 O LEU A 35 9.967 -8.580 2.529 1.00 0.00 O ATOM 511 CB LEU A 35 7.655 -10.251 4.260 1.00 0.00 C ATOM 512 CG LEU A 35 7.031 -8.872 4.009 1.00 0.00 C ATOM 513 CD1 LEU A 35 5.854 -8.986 3.054 1.00 0.00 C ATOM 514 CD2 LEU A 35 6.591 -8.230 5.318 1.00 0.00 C ATOM 0 H LEU A 35 10.024 -8.925 5.003 1.00 0.00 H new ATOM 0 HA LEU A 35 9.308 -11.471 3.657 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.058 -10.999 3.739 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.585 -10.472 5.325 1.00 0.00 H new ATOM 0 HG LEU A 35 7.789 -8.235 3.553 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.424 -7.999 2.887 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.195 -9.398 2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.098 -9.643 3.485 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.152 -7.253 5.115 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.852 -8.866 5.805 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.454 -8.110 5.973 1.00 0.00 H new ATOM 526 N ILE A 36 9.001 -10.276 1.402 1.00 0.00 N ATOM 527 CA ILE A 36 9.245 -9.675 0.097 1.00 0.00 C ATOM 528 C ILE A 36 7.951 -9.364 -0.640 1.00 0.00 C ATOM 529 O ILE A 36 7.137 -10.251 -0.873 1.00 0.00 O ATOM 530 CB ILE A 36 10.099 -10.611 -0.783 1.00 0.00 C ATOM 531 CG1 ILE A 36 10.785 -11.691 0.068 1.00 0.00 C ATOM 532 CG2 ILE A 36 11.120 -9.811 -1.573 1.00 0.00 C ATOM 533 CD1 ILE A 36 11.346 -12.837 -0.745 1.00 0.00 C ATOM 0 H ILE A 36 8.521 -11.176 1.373 1.00 0.00 H new ATOM 0 HA ILE A 36 9.777 -8.741 0.280 1.00 0.00 H new ATOM 0 HB ILE A 36 9.439 -11.114 -1.489 1.00 0.00 H new ATOM 0 HG12 ILE A 36 11.592 -11.233 0.640 1.00 0.00 H new ATOM 0 HG13 ILE A 36 10.068 -12.084 0.788 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.714 -10.486 -2.189 1.00 0.00 H new ATOM 0 HG22 ILE A 36 10.605 -9.095 -2.213 1.00 0.00 H new ATOM 0 HG23 ILE A 36 11.775 -9.277 -0.885 1.00 0.00 H new ATOM 0 HD11 ILE A 36 11.815 -13.561 -0.078 1.00 0.00 H new ATOM 0 HD12 ILE A 36 10.540 -13.321 -1.296 1.00 0.00 H new ATOM 0 HD13 ILE A 36 12.088 -12.456 -1.447 1.00 0.00 H new ATOM 545 N LEU A 37 7.786 -8.102 -1.030 1.00 0.00 N ATOM 546 CA LEU A 37 6.607 -7.678 -1.769 1.00 0.00 C ATOM 547 C LEU A 37 6.864 -7.798 -3.269 1.00 0.00 C ATOM 548 O LEU A 37 7.710 -7.092 -3.819 1.00 0.00 O ATOM 549 CB LEU A 37 6.242 -6.241 -1.397 1.00 0.00 C ATOM 550 CG LEU A 37 4.816 -5.808 -1.750 1.00 0.00 C ATOM 551 CD1 LEU A 37 4.162 -5.095 -0.572 1.00 0.00 C ATOM 552 CD2 LEU A 37 4.823 -4.914 -2.980 1.00 0.00 C ATOM 0 H LEU A 37 8.457 -7.357 -0.844 1.00 0.00 H new ATOM 0 HA LEU A 37 5.769 -8.324 -1.507 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.386 -6.115 -0.324 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.941 -5.567 -1.894 1.00 0.00 H new ATOM 0 HG LEU A 37 4.231 -6.700 -1.974 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.150 -4.796 -0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.124 -5.768 0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.744 -4.211 -0.313 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.802 -4.615 -3.218 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.424 -4.027 -2.782 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.247 -5.459 -3.823 1.00 0.00 H new ATOM 564 N ALA A 38 6.136 -8.704 -3.922 1.00 0.00 N ATOM 565 CA ALA A 38 6.291 -8.929 -5.357 1.00 0.00 C ATOM 566 C ALA A 38 5.877 -7.708 -6.170 1.00 0.00 C ATOM 567 O ALA A 38 6.393 -7.496 -7.267 1.00 0.00 O ATOM 568 CB ALA A 38 5.488 -10.144 -5.798 1.00 0.00 C ATOM 0 H ALA A 38 5.432 -9.294 -3.478 1.00 0.00 H new ATOM 0 HA ALA A 38 7.349 -9.112 -5.543 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.616 -10.295 -6.870 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.839 -11.026 -5.262 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.433 -9.982 -5.578 1.00 0.00 H new ATOM 574 N GLY A 39 4.954 -6.899 -5.639 1.00 0.00 N ATOM 575 CA GLY A 39 4.534 -5.717 -6.376 1.00 0.00 C ATOM 576 C GLY A 39 3.229 -5.111 -5.895 1.00 0.00 C ATOM 577 O GLY A 39 2.501 -5.713 -5.105 1.00 0.00 O ATOM 0 H GLY A 39 4.502 -7.037 -4.735 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.318 -4.963 -6.307 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.433 -5.977 -7.430 1.00 0.00 H new ATOM 581 N VAL A 40 2.947 -3.906 -6.393 1.00 0.00 N ATOM 582 CA VAL A 40 1.735 -3.166 -6.046 1.00 0.00 C ATOM 583 C VAL A 40 0.514 -3.741 -6.774 1.00 0.00 C ATOM 584 O VAL A 40 0.578 -4.046 -7.966 1.00 0.00 O ATOM 585 CB VAL A 40 1.909 -1.659 -6.390 1.00 0.00 C ATOM 586 CG1 VAL A 40 0.603 -1.018 -6.857 1.00 0.00 C ATOM 587 CG2 VAL A 40 2.488 -0.902 -5.199 1.00 0.00 C ATOM 0 H VAL A 40 3.554 -3.416 -7.049 1.00 0.00 H new ATOM 0 HA VAL A 40 1.569 -3.267 -4.973 1.00 0.00 H new ATOM 0 HB VAL A 40 2.610 -1.596 -7.222 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.775 0.034 -7.085 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.246 -1.530 -7.751 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.145 -1.100 -6.069 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.603 0.151 -5.458 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.815 -0.995 -4.347 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.461 -1.320 -4.940 1.00 0.00 H new ATOM 597 N ASP A 41 -0.596 -3.883 -6.046 1.00 0.00 N ATOM 598 CA ASP A 41 -1.833 -4.415 -6.618 1.00 0.00 C ATOM 599 C ASP A 41 -2.835 -3.291 -6.879 1.00 0.00 C ATOM 600 O ASP A 41 -3.178 -3.007 -8.027 1.00 0.00 O ATOM 601 CB ASP A 41 -2.455 -5.457 -5.677 1.00 0.00 C ATOM 602 CG ASP A 41 -3.051 -6.642 -6.419 1.00 0.00 C ATOM 603 OD1 ASP A 41 -2.364 -7.207 -7.297 1.00 0.00 O ATOM 604 OD2 ASP A 41 -4.208 -7.007 -6.119 1.00 0.00 O ATOM 0 H ASP A 41 -0.663 -3.636 -5.058 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.588 -4.894 -7.566 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.693 -5.814 -4.984 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.232 -4.981 -5.079 1.00 0.00 H new ATOM 609 N ALA A 42 -3.295 -2.660 -5.800 1.00 0.00 N ATOM 610 CA ALA A 42 -4.256 -1.563 -5.880 1.00 0.00 C ATOM 611 C ALA A 42 -4.159 -0.687 -4.634 1.00 0.00 C ATOM 612 O ALA A 42 -3.463 -1.042 -3.681 1.00 0.00 O ATOM 613 CB ALA A 42 -5.668 -2.108 -6.043 1.00 0.00 C ATOM 0 H ALA A 42 -3.013 -2.894 -4.848 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.021 -0.952 -6.752 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.373 -1.279 -6.101 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.727 -2.699 -6.957 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.916 -2.736 -5.188 1.00 0.00 H new ATOM 619 N GLY A 43 -4.844 0.456 -4.633 1.00 0.00 N ATOM 620 CA GLY A 43 -4.780 1.330 -3.477 1.00 0.00 C ATOM 621 C GLY A 43 -5.830 2.416 -3.452 1.00 0.00 C ATOM 622 O GLY A 43 -6.729 2.454 -4.289 1.00 0.00 O ATOM 0 H GLY A 43 -5.432 0.786 -5.399 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.879 0.726 -2.575 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.795 1.794 -3.443 1.00 0.00 H new ATOM 626 N GLN A 44 -5.706 3.291 -2.458 1.00 0.00 N ATOM 627 CA GLN A 44 -6.636 4.388 -2.257 1.00 0.00 C ATOM 628 C GLN A 44 -5.950 5.575 -1.583 1.00 0.00 C ATOM 629 O GLN A 44 -5.107 5.396 -0.705 1.00 0.00 O ATOM 630 CB GLN A 44 -7.790 3.902 -1.382 1.00 0.00 C ATOM 631 CG GLN A 44 -8.823 3.093 -2.144 1.00 0.00 C ATOM 632 CD GLN A 44 -9.947 2.585 -1.257 1.00 0.00 C ATOM 633 OE1 GLN A 44 -11.120 2.854 -1.511 1.00 0.00 O ATOM 634 NE2 GLN A 44 -9.597 1.846 -0.208 1.00 0.00 N ATOM 0 H GLN A 44 -4.954 3.255 -1.770 1.00 0.00 H new ATOM 0 HA GLN A 44 -7.006 4.717 -3.228 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -7.390 3.295 -0.570 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -8.278 4.763 -0.925 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -9.244 3.708 -2.939 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -8.333 2.245 -2.622 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.613 1.645 -0.031 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.313 1.480 0.420 1.00 0.00 H new ATOM 643 N ILE A 45 -6.332 6.784 -1.984 1.00 0.00 N ATOM 644 CA ILE A 45 -5.768 8.000 -1.409 1.00 0.00 C ATOM 645 C ILE A 45 -6.877 8.867 -0.814 1.00 0.00 C ATOM 646 O ILE A 45 -7.847 9.203 -1.498 1.00 0.00 O ATOM 647 CB ILE A 45 -4.972 8.812 -2.461 1.00 0.00 C ATOM 648 CG1 ILE A 45 -3.632 8.132 -2.763 1.00 0.00 C ATOM 649 CG2 ILE A 45 -4.744 10.239 -1.983 1.00 0.00 C ATOM 650 CD1 ILE A 45 -3.691 7.169 -3.923 1.00 0.00 C ATOM 0 H ILE A 45 -7.032 6.947 -2.707 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.077 7.703 -0.620 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.560 8.847 -3.378 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.885 8.897 -2.975 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -3.297 7.597 -1.874 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.183 10.790 -2.738 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.705 10.725 -1.818 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.180 10.225 -1.050 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.707 6.726 -4.078 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.413 6.382 -3.706 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.995 7.702 -4.824 1.00 0.00 H new ATOM 662 N ILE A 46 -6.729 9.221 0.462 1.00 0.00 N ATOM 663 CA ILE A 46 -7.719 10.043 1.151 1.00 0.00 C ATOM 664 C ILE A 46 -7.188 11.457 1.374 1.00 0.00 C ATOM 665 O ILE A 46 -6.151 11.654 2.034 1.00 0.00 O ATOM 666 CB ILE A 46 -8.136 9.412 2.497 1.00 0.00 C ATOM 667 CG1 ILE A 46 -8.715 8.012 2.255 1.00 0.00 C ATOM 668 CG2 ILE A 46 -9.148 10.299 3.213 1.00 0.00 C ATOM 669 CD1 ILE A 46 -9.148 7.297 3.517 1.00 0.00 C ATOM 0 H ILE A 46 -5.932 8.951 1.038 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.602 10.096 0.514 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.257 9.323 3.135 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -9.571 8.095 1.585 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.968 7.405 1.744 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -9.430 9.838 4.160 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.705 11.276 3.403 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -10.034 10.418 2.589 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -9.546 6.315 3.261 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -8.291 7.180 4.181 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -9.919 7.881 4.020 1.00 0.00 H new ATOM 681 N LYS A 47 -7.898 12.429 0.783 1.00 0.00 N ATOM 682 CA LYS A 47 -7.521 13.839 0.867 1.00 0.00 C ATOM 683 C LYS A 47 -8.714 14.762 1.133 1.00 0.00 C ATOM 684 O LYS A 47 -9.872 14.401 0.919 1.00 0.00 O ATOM 685 CB LYS A 47 -6.826 14.291 -0.427 1.00 0.00 C ATOM 686 CG LYS A 47 -7.124 13.421 -1.642 1.00 0.00 C ATOM 687 CD LYS A 47 -8.550 13.610 -2.135 1.00 0.00 C ATOM 688 CE LYS A 47 -8.806 12.825 -3.412 1.00 0.00 C ATOM 689 NZ LYS A 47 -10.256 12.737 -3.734 1.00 0.00 N ATOM 0 H LYS A 47 -8.743 12.257 0.238 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.839 13.918 1.714 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.127 15.315 -0.647 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.749 14.304 -0.260 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.427 13.665 -2.444 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.963 12.373 -1.387 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.249 13.289 -1.363 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.737 14.669 -2.314 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.279 13.299 -4.240 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.397 11.820 -3.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -10.384 12.194 -4.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.756 12.261 -2.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.642 13.694 -3.860 1.00 0.00 H new ATOM 703 N GLY A 48 -8.383 15.977 1.561 1.00 0.00 N ATOM 704 CA GLY A 48 -9.361 17.024 1.826 1.00 0.00 C ATOM 705 C GLY A 48 -8.726 18.364 1.521 1.00 0.00 C ATOM 706 O GLY A 48 -9.068 19.025 0.539 1.00 0.00 O ATOM 0 H GLY A 48 -7.420 16.264 1.735 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.249 16.877 1.211 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.684 16.986 2.866 1.00 0.00 H new ATOM 710 N ILE A 49 -7.729 18.705 2.334 1.00 0.00 N ATOM 711 CA ILE A 49 -6.928 19.906 2.152 1.00 0.00 C ATOM 712 C ILE A 49 -5.484 19.435 1.981 1.00 0.00 C ATOM 713 O ILE A 49 -4.887 18.904 2.920 1.00 0.00 O ATOM 714 CB ILE A 49 -7.051 20.879 3.351 1.00 0.00 C ATOM 715 CG1 ILE A 49 -6.416 22.231 3.011 1.00 0.00 C ATOM 716 CG2 ILE A 49 -6.417 20.285 4.603 1.00 0.00 C ATOM 717 CD1 ILE A 49 -7.411 23.370 2.954 1.00 0.00 C ATOM 0 H ILE A 49 -7.455 18.149 3.144 1.00 0.00 H new ATOM 0 HA ILE A 49 -7.276 20.464 1.283 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.110 21.037 3.554 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.654 22.462 3.755 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -5.909 22.154 2.049 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.517 20.988 5.430 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.919 19.352 4.857 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.361 20.090 4.418 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.891 24.296 2.708 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -8.160 23.161 2.190 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -7.900 23.475 3.922 1.00 0.00 H new ATOM 729 N PRO A 50 -4.919 19.522 0.765 1.00 0.00 N ATOM 730 CA PRO A 50 -3.587 19.002 0.511 1.00 0.00 C ATOM 731 C PRO A 50 -2.436 19.974 0.717 1.00 0.00 C ATOM 732 O PRO A 50 -2.278 20.959 -0.006 1.00 0.00 O ATOM 733 CB PRO A 50 -3.670 18.583 -0.946 1.00 0.00 C ATOM 734 CG PRO A 50 -4.592 19.588 -1.563 1.00 0.00 C ATOM 735 CD PRO A 50 -5.549 20.027 -0.471 1.00 0.00 C ATOM 0 HA PRO A 50 -3.351 18.211 1.223 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -2.689 18.597 -1.421 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.059 17.570 -1.048 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -4.033 20.439 -1.953 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.135 19.152 -2.402 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -5.663 21.111 -0.449 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.543 19.605 -0.616 1.00 0.00 H new ATOM 743 N HIS A 51 -1.594 19.608 1.669 1.00 0.00 N ATOM 744 CA HIS A 51 -0.369 20.330 1.981 1.00 0.00 C ATOM 745 C HIS A 51 0.799 19.350 1.811 1.00 0.00 C ATOM 746 O HIS A 51 1.863 19.505 2.413 1.00 0.00 O ATOM 747 CB HIS A 51 -0.413 20.889 3.408 1.00 0.00 C ATOM 748 CG HIS A 51 -0.361 22.384 3.463 1.00 0.00 C ATOM 749 ND1 HIS A 51 -1.311 23.147 4.107 1.00 0.00 N ATOM 750 CD2 HIS A 51 0.534 23.258 2.947 1.00 0.00 C ATOM 751 CE1 HIS A 51 -1.003 24.426 3.985 1.00 0.00 C ATOM 752 NE2 HIS A 51 0.112 24.520 3.286 1.00 0.00 N ATOM 0 H HIS A 51 -1.744 18.788 2.257 1.00 0.00 H new ATOM 0 HA HIS A 51 -0.249 21.182 1.311 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -1.325 20.546 3.896 1.00 0.00 H new ATOM 0 HB3 HIS A 51 0.424 20.483 3.975 1.00 0.00 H new ATOM 0 HD2 HIS A 51 1.416 23.009 2.375 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -1.568 25.253 4.389 1.00 0.00 H new ATOM 0 HE2 HIS A 51 0.584 25.389 3.038 1.00 0.00 H new ATOM 761 N TRP A 52 0.546 18.314 0.993 1.00 0.00 N ATOM 762 CA TRP A 52 1.488 17.241 0.713 1.00 0.00 C ATOM 763 C TRP A 52 1.632 16.299 1.913 1.00 0.00 C ATOM 764 O TRP A 52 2.681 15.693 2.130 1.00 0.00 O ATOM 765 CB TRP A 52 2.837 17.775 0.224 1.00 0.00 C ATOM 766 CG TRP A 52 3.373 17.005 -0.956 1.00 0.00 C ATOM 767 CD1 TRP A 52 4.685 16.884 -1.316 1.00 0.00 C ATOM 768 CD2 TRP A 52 2.621 16.241 -1.926 1.00 0.00 C ATOM 769 NE1 TRP A 52 4.801 16.093 -2.432 1.00 0.00 N ATOM 770 CE2 TRP A 52 3.553 15.685 -2.824 1.00 0.00 C ATOM 771 CE3 TRP A 52 1.255 15.965 -2.125 1.00 0.00 C ATOM 772 CZ2 TRP A 52 3.172 14.874 -3.891 1.00 0.00 C ATOM 773 CZ3 TRP A 52 0.884 15.159 -3.183 1.00 0.00 C ATOM 774 CH2 TRP A 52 1.839 14.618 -4.053 1.00 0.00 C ATOM 0 H TRP A 52 -0.342 18.206 0.502 1.00 0.00 H new ATOM 0 HA TRP A 52 1.078 16.652 -0.107 1.00 0.00 H new ATOM 0 HB2 TRP A 52 2.730 18.825 -0.050 1.00 0.00 H new ATOM 0 HB3 TRP A 52 3.558 17.731 1.040 1.00 0.00 H new ATOM 0 HD1 TRP A 52 5.513 17.345 -0.797 1.00 0.00 H new ATOM 0 HE1 TRP A 52 5.676 15.848 -2.895 1.00 0.00 H new ATOM 0 HE3 TRP A 52 0.509 16.377 -1.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 3.906 14.461 -4.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -0.162 14.942 -3.343 1.00 0.00 H new ATOM 0 HH2 TRP A 52 1.516 13.986 -4.867 1.00 0.00 H new ATOM 785 N ASP A 53 0.531 16.158 2.658 1.00 0.00 N ATOM 786 CA ASP A 53 0.454 15.268 3.816 1.00 0.00 C ATOM 787 C ASP A 53 -0.676 14.249 3.607 1.00 0.00 C ATOM 788 O ASP A 53 -1.280 13.765 4.566 1.00 0.00 O ATOM 789 CB ASP A 53 0.214 16.072 5.096 1.00 0.00 C ATOM 790 CG ASP A 53 1.345 17.035 5.391 1.00 0.00 C ATOM 791 OD1 ASP A 53 2.378 16.589 5.932 1.00 0.00 O ATOM 792 OD2 ASP A 53 1.199 18.234 5.077 1.00 0.00 O ATOM 0 H ASP A 53 -0.336 16.662 2.472 1.00 0.00 H new ATOM 0 HA ASP A 53 1.401 14.738 3.919 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.719 16.628 5.003 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.095 15.387 5.936 1.00 0.00 H new ATOM 797 N ASN A 54 -0.967 13.960 2.334 1.00 0.00 N ATOM 798 CA ASN A 54 -2.036 13.040 1.943 1.00 0.00 C ATOM 799 C ASN A 54 -1.870 11.657 2.583 1.00 0.00 C ATOM 800 O ASN A 54 -0.755 11.251 2.920 1.00 0.00 O ATOM 801 CB ASN A 54 -2.068 12.935 0.411 1.00 0.00 C ATOM 802 CG ASN A 54 -3.443 13.197 -0.168 1.00 0.00 C ATOM 803 OD1 ASN A 54 -4.369 12.276 0.058 1.00 0.00 O flip ATOM 804 ND2 ASN A 54 -3.669 14.221 -0.811 1.00 0.00 N flip ATOM 0 H ASN A 54 -0.463 14.361 1.543 1.00 0.00 H new ATOM 0 HA ASN A 54 -2.984 13.437 2.306 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.359 13.647 -0.012 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.737 11.940 0.113 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.926 14.904 -0.961 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -4.599 14.388 -1.194 1.00 0.00 H new ATOM 811 N TYR A 55 -2.987 10.937 2.761 1.00 0.00 N ATOM 812 CA TYR A 55 -2.937 9.606 3.370 1.00 0.00 C ATOM 813 C TYR A 55 -3.098 8.505 2.321 1.00 0.00 C ATOM 814 O TYR A 55 -4.092 8.472 1.593 1.00 0.00 O ATOM 815 CB TYR A 55 -4.013 9.475 4.449 1.00 0.00 C ATOM 816 CG TYR A 55 -3.455 9.284 5.845 1.00 0.00 C ATOM 817 CD1 TYR A 55 -2.213 9.801 6.201 1.00 0.00 C ATOM 818 CD2 TYR A 55 -4.171 8.585 6.807 1.00 0.00 C ATOM 819 CE1 TYR A 55 -1.703 9.625 7.472 1.00 0.00 C ATOM 820 CE2 TYR A 55 -3.668 8.406 8.081 1.00 0.00 C ATOM 821 CZ TYR A 55 -2.434 8.926 8.409 1.00 0.00 C ATOM 822 OH TYR A 55 -1.932 8.747 9.677 1.00 0.00 O ATOM 0 H TYR A 55 -3.921 11.250 2.496 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.957 9.486 3.831 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.639 10.368 4.436 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.658 8.630 4.206 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -1.638 10.350 5.470 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.138 8.174 6.555 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.737 10.033 7.731 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -4.239 7.861 8.818 1.00 0.00 H new ATOM 0 HH TYR A 55 -2.572 8.234 10.213 1.00 0.00 H new ATOM 832 N TYR A 56 -2.106 7.610 2.245 1.00 0.00 N ATOM 833 CA TYR A 56 -2.130 6.511 1.273 1.00 0.00 C ATOM 834 C TYR A 56 -2.531 5.180 1.922 1.00 0.00 C ATOM 835 O TYR A 56 -2.011 4.804 2.973 1.00 0.00 O ATOM 836 CB TYR A 56 -0.756 6.363 0.602 1.00 0.00 C ATOM 837 CG TYR A 56 -0.547 7.278 -0.588 1.00 0.00 C ATOM 838 CD1 TYR A 56 -0.370 8.643 -0.411 1.00 0.00 C ATOM 839 CD2 TYR A 56 -0.522 6.783 -1.888 1.00 0.00 C ATOM 840 CE1 TYR A 56 -0.176 9.486 -1.487 1.00 0.00 C ATOM 841 CE2 TYR A 56 -0.330 7.623 -2.965 1.00 0.00 C ATOM 842 CZ TYR A 56 -0.157 8.970 -2.760 1.00 0.00 C ATOM 843 OH TYR A 56 0.027 9.805 -3.837 1.00 0.00 O ATOM 0 H TYR A 56 -1.280 7.625 2.843 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.881 6.760 0.523 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.020 6.562 1.341 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.631 5.330 0.279 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.384 9.054 0.588 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.655 5.725 -2.056 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -0.040 10.546 -1.329 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -0.316 7.222 -3.968 1.00 0.00 H new ATOM 0 HH TYR A 56 0.126 10.728 -3.522 1.00 0.00 H new ATOM 853 N ASN A 57 -3.450 4.472 1.264 1.00 0.00 N ATOM 854 CA ASN A 57 -3.937 3.169 1.727 1.00 0.00 C ATOM 855 C ASN A 57 -3.934 2.191 0.556 1.00 0.00 C ATOM 856 O ASN A 57 -4.700 2.369 -0.383 1.00 0.00 O ATOM 857 CB ASN A 57 -5.361 3.299 2.281 1.00 0.00 C ATOM 858 CG ASN A 57 -5.920 1.969 2.754 1.00 0.00 C ATOM 859 OD1 ASN A 57 -5.262 1.233 3.489 1.00 0.00 O ATOM 860 ND2 ASN A 57 -7.138 1.649 2.330 1.00 0.00 N ATOM 0 H ASN A 57 -3.879 4.785 0.393 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.284 2.804 2.520 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.362 4.007 3.110 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -6.012 3.710 1.510 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.561 0.765 2.613 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.650 2.287 1.721 1.00 0.00 H new ATOM 867 N LEU A 58 -3.063 1.180 0.580 1.00 0.00 N ATOM 868 CA LEU A 58 -3.000 0.244 -0.550 1.00 0.00 C ATOM 869 C LEU A 58 -2.802 -1.215 -0.145 1.00 0.00 C ATOM 870 O LEU A 58 -2.435 -1.529 0.988 1.00 0.00 O ATOM 871 CB LEU A 58 -1.869 0.654 -1.494 1.00 0.00 C ATOM 872 CG LEU A 58 -1.922 2.100 -1.990 1.00 0.00 C ATOM 873 CD1 LEU A 58 -1.081 2.999 -1.096 1.00 0.00 C ATOM 874 CD2 LEU A 58 -1.452 2.187 -3.436 1.00 0.00 C ATOM 0 H LEU A 58 -2.411 0.989 1.341 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.972 0.303 -1.041 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.918 0.497 -0.985 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.881 -0.010 -2.359 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.956 2.443 -1.947 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.129 4.024 -1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.464 2.960 -0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.046 2.658 -1.108 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.497 3.223 -3.771 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.426 1.826 -3.507 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.097 1.574 -4.066 1.00 0.00 H new ATOM 886 N ILE A 59 -3.031 -2.095 -1.127 1.00 0.00 N ATOM 887 CA ILE A 59 -2.871 -3.539 -0.964 1.00 0.00 C ATOM 888 C ILE A 59 -1.899 -4.066 -2.021 1.00 0.00 C ATOM 889 O ILE A 59 -2.055 -3.772 -3.208 1.00 0.00 O ATOM 890 CB ILE A 59 -4.213 -4.289 -1.115 1.00 0.00 C ATOM 891 CG1 ILE A 59 -5.284 -3.676 -0.201 1.00 0.00 C ATOM 892 CG2 ILE A 59 -4.030 -5.774 -0.823 1.00 0.00 C ATOM 893 CD1 ILE A 59 -5.423 -4.369 1.140 1.00 0.00 C ATOM 0 H ILE A 59 -3.334 -1.820 -2.061 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.488 -3.715 0.041 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.552 -4.185 -2.146 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.045 -2.626 -0.032 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.245 -3.705 -0.715 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.985 -6.287 -0.934 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.308 -6.196 -1.522 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.666 -5.902 0.196 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.199 -3.876 1.726 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.694 -5.413 0.984 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.476 -4.317 1.676 1.00 0.00 H new ATOM 905 N LEU A 60 -0.895 -4.830 -1.595 1.00 0.00 N ATOM 906 CA LEU A 60 0.099 -5.371 -2.521 1.00 0.00 C ATOM 907 C LEU A 60 0.322 -6.869 -2.293 1.00 0.00 C ATOM 908 O LEU A 60 -0.128 -7.427 -1.291 1.00 0.00 O ATOM 909 CB LEU A 60 1.430 -4.623 -2.372 1.00 0.00 C ATOM 910 CG LEU A 60 1.332 -3.129 -2.029 1.00 0.00 C ATOM 911 CD1 LEU A 60 1.069 -2.929 -0.544 1.00 0.00 C ATOM 912 CD2 LEU A 60 2.606 -2.411 -2.446 1.00 0.00 C ATOM 0 H LEU A 60 -0.748 -5.088 -0.619 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.284 -5.232 -3.532 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.015 -5.115 -1.595 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.987 -4.725 -3.303 1.00 0.00 H new ATOM 0 HG LEU A 60 0.493 -2.704 -2.580 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.004 -1.863 -0.326 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.131 -3.413 -0.272 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.884 -3.368 0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.525 -1.353 -2.198 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.456 -2.843 -1.919 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.751 -2.522 -3.521 1.00 0.00 H new ATOM 924 N SER A 61 1.032 -7.508 -3.228 1.00 0.00 N ATOM 925 CA SER A 61 1.338 -8.939 -3.134 1.00 0.00 C ATOM 926 C SER A 61 2.764 -9.145 -2.634 1.00 0.00 C ATOM 927 O SER A 61 3.691 -8.481 -3.110 1.00 0.00 O ATOM 928 CB SER A 61 1.171 -9.622 -4.493 1.00 0.00 C ATOM 929 OG SER A 61 -0.166 -9.534 -4.950 1.00 0.00 O ATOM 0 H SER A 61 1.407 -7.055 -4.061 1.00 0.00 H new ATOM 0 HA SER A 61 0.639 -9.386 -2.427 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.838 -9.158 -5.220 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.463 -10.669 -4.415 1.00 0.00 H new ATOM 0 HG SER A 61 -0.244 -9.977 -5.821 1.00 0.00 H new ATOM 935 N ALA A 62 2.929 -10.058 -1.669 1.00 0.00 N ATOM 936 CA ALA A 62 4.244 -10.346 -1.093 1.00 0.00 C ATOM 937 C ALA A 62 4.403 -11.824 -0.725 1.00 0.00 C ATOM 938 O ALA A 62 3.472 -12.455 -0.221 1.00 0.00 O ATOM 939 CB ALA A 62 4.475 -9.478 0.134 1.00 0.00 C ATOM 0 H ALA A 62 2.168 -10.609 -1.272 1.00 0.00 H new ATOM 0 HA ALA A 62 4.991 -10.116 -1.853 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.455 -9.699 0.556 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.431 -8.427 -0.150 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.705 -9.686 0.877 1.00 0.00 H new ATOM 945 N LYS A 63 5.603 -12.356 -0.972 1.00 0.00 N ATOM 946 CA LYS A 63 5.928 -13.746 -0.666 1.00 0.00 C ATOM 947 C LYS A 63 7.343 -13.859 -0.097 1.00 0.00 C ATOM 948 O LYS A 63 8.128 -12.904 -0.147 1.00 0.00 O ATOM 949 CB LYS A 63 5.763 -14.652 -1.896 1.00 0.00 C ATOM 950 CG LYS A 63 6.294 -14.073 -3.197 1.00 0.00 C ATOM 951 CD LYS A 63 7.814 -14.101 -3.251 1.00 0.00 C ATOM 952 CE LYS A 63 8.405 -12.704 -3.136 1.00 0.00 C ATOM 953 NZ LYS A 63 8.153 -11.884 -4.353 1.00 0.00 N ATOM 0 H LYS A 63 6.373 -11.834 -1.389 1.00 0.00 H new ATOM 0 HA LYS A 63 5.222 -14.088 0.091 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.270 -15.597 -1.703 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.704 -14.878 -2.022 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.890 -14.638 -4.037 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.946 -13.046 -3.306 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.196 -14.726 -2.443 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.137 -14.557 -4.187 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.979 -12.202 -2.267 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.479 -12.779 -2.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.059 -11.639 -4.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.572 -12.427 -5.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.652 -11.013 -4.087 1.00 0.00 H new ATOM 967 N HIS A 64 7.650 -15.022 0.474 1.00 0.00 N ATOM 968 CA HIS A 64 8.958 -15.269 1.071 1.00 0.00 C ATOM 969 C HIS A 64 9.920 -15.925 0.074 1.00 0.00 C ATOM 970 O HIS A 64 11.131 -15.939 0.300 1.00 0.00 O ATOM 971 CB HIS A 64 8.819 -16.160 2.310 1.00 0.00 C ATOM 972 CG HIS A 64 7.513 -16.011 3.032 1.00 0.00 C ATOM 973 ND1 HIS A 64 6.677 -17.074 3.303 1.00 0.00 N ATOM 974 CD2 HIS A 64 6.900 -14.916 3.539 1.00 0.00 C ATOM 975 CE1 HIS A 64 5.608 -16.639 3.943 1.00 0.00 C ATOM 976 NE2 HIS A 64 5.718 -15.334 4.100 1.00 0.00 N ATOM 0 H HIS A 64 7.006 -15.811 0.535 1.00 0.00 H new ATOM 0 HA HIS A 64 9.372 -14.303 1.360 1.00 0.00 H new ATOM 0 HB2 HIS A 64 8.939 -17.201 2.010 1.00 0.00 H new ATOM 0 HB3 HIS A 64 9.631 -15.932 3.000 1.00 0.00 H new ATOM 0 HD2 HIS A 64 7.271 -13.902 3.508 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.783 -17.248 4.281 1.00 0.00 H new ATOM 0 HE2 HIS A 64 5.036 -14.733 4.563 1.00 0.00 H new ATOM 985 N SER A 65 9.382 -16.477 -1.019 1.00 0.00 N ATOM 986 CA SER A 65 10.208 -17.143 -2.025 1.00 0.00 C ATOM 987 C SER A 65 9.595 -17.031 -3.424 1.00 0.00 C ATOM 988 O SER A 65 8.375 -16.926 -3.570 1.00 0.00 O ATOM 989 CB SER A 65 10.390 -18.618 -1.646 1.00 0.00 C ATOM 990 OG SER A 65 9.714 -19.484 -2.544 1.00 0.00 O ATOM 0 H SER A 65 8.383 -16.475 -1.227 1.00 0.00 H new ATOM 0 HA SER A 65 11.178 -16.647 -2.050 1.00 0.00 H new ATOM 0 HB2 SER A 65 11.452 -18.862 -1.637 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.017 -18.781 -0.635 1.00 0.00 H new ATOM 0 HG SER A 65 9.855 -20.414 -2.270 1.00 0.00 H new ATOM 996 N PRO A 66 10.441 -17.078 -4.475 1.00 0.00 N ATOM 997 CA PRO A 66 9.982 -17.002 -5.870 1.00 0.00 C ATOM 998 C PRO A 66 9.088 -18.184 -6.247 1.00 0.00 C ATOM 999 O PRO A 66 8.180 -18.046 -7.066 1.00 0.00 O ATOM 1000 CB PRO A 66 11.282 -17.031 -6.683 1.00 0.00 C ATOM 1001 CG PRO A 66 12.291 -17.645 -5.776 1.00 0.00 C ATOM 1002 CD PRO A 66 11.905 -17.227 -4.387 1.00 0.00 C ATOM 0 HA PRO A 66 9.376 -16.114 -6.051 1.00 0.00 H new ATOM 0 HB2 PRO A 66 11.164 -17.616 -7.595 1.00 0.00 H new ATOM 0 HB3 PRO A 66 11.581 -16.027 -6.984 1.00 0.00 H new ATOM 0 HG2 PRO A 66 12.292 -18.731 -5.871 1.00 0.00 H new ATOM 0 HG3 PRO A 66 13.296 -17.303 -6.022 1.00 0.00 H new ATOM 0 HD2 PRO A 66 12.190 -17.975 -3.647 1.00 0.00 H new ATOM 0 HD3 PRO A 66 12.388 -16.294 -4.098 1.00 0.00 H new ATOM 1010 N HIS A 67 9.350 -19.342 -5.634 1.00 0.00 N ATOM 1011 CA HIS A 67 8.570 -20.551 -5.891 1.00 0.00 C ATOM 1012 C HIS A 67 7.466 -20.740 -4.843 1.00 0.00 C ATOM 1013 O HIS A 67 6.884 -21.821 -4.740 1.00 0.00 O ATOM 1014 CB HIS A 67 9.489 -21.778 -5.910 1.00 0.00 C ATOM 1015 CG HIS A 67 10.322 -21.891 -7.150 1.00 0.00 C ATOM 1016 ND1 HIS A 67 10.777 -23.096 -7.643 1.00 0.00 N ATOM 1017 CD2 HIS A 67 10.787 -20.942 -7.998 1.00 0.00 C ATOM 1018 CE1 HIS A 67 11.484 -22.884 -8.737 1.00 0.00 C ATOM 1019 NE2 HIS A 67 11.506 -21.587 -8.975 1.00 0.00 N ATOM 0 H HIS A 67 10.100 -19.465 -4.954 1.00 0.00 H new ATOM 0 HA HIS A 67 8.094 -20.440 -6.865 1.00 0.00 H new ATOM 0 HB2 HIS A 67 10.148 -21.740 -5.043 1.00 0.00 H new ATOM 0 HB3 HIS A 67 8.881 -22.677 -5.809 1.00 0.00 H new ATOM 0 HD2 HIS A 67 10.623 -19.877 -7.920 1.00 0.00 H new ATOM 0 HE1 HIS A 67 11.963 -23.644 -9.336 1.00 0.00 H new ATOM 0 HE2 HIS A 67 11.980 -21.136 -9.757 1.00 0.00 H new ATOM 1028 N GLU A 68 7.179 -19.687 -4.069 1.00 0.00 N ATOM 1029 CA GLU A 68 6.148 -19.751 -3.039 1.00 0.00 C ATOM 1030 C GLU A 68 4.991 -18.808 -3.351 1.00 0.00 C ATOM 1031 O GLU A 68 5.084 -17.959 -4.237 1.00 0.00 O ATOM 1032 CB GLU A 68 6.734 -19.421 -1.669 1.00 0.00 C ATOM 1033 CG GLU A 68 7.329 -20.630 -0.971 1.00 0.00 C ATOM 1034 CD GLU A 68 8.314 -20.264 0.125 1.00 0.00 C ATOM 1035 OE1 GLU A 68 8.027 -19.328 0.902 1.00 0.00 O ATOM 1036 OE2 GLU A 68 9.373 -20.919 0.209 1.00 0.00 O ATOM 0 H GLU A 68 7.648 -18.784 -4.140 1.00 0.00 H new ATOM 0 HA GLU A 68 5.763 -20.771 -3.024 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.505 -18.659 -1.784 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.954 -18.993 -1.040 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.524 -21.227 -0.542 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.832 -21.256 -1.708 1.00 0.00 H new ATOM 1043 N PHE A 69 3.897 -18.986 -2.620 1.00 0.00 N ATOM 1044 CA PHE A 69 2.696 -18.180 -2.807 1.00 0.00 C ATOM 1045 C PHE A 69 2.861 -16.753 -2.315 1.00 0.00 C ATOM 1046 O PHE A 69 3.615 -16.484 -1.379 1.00 0.00 O ATOM 1047 CB PHE A 69 1.521 -18.814 -2.072 1.00 0.00 C ATOM 1048 CG PHE A 69 0.834 -19.886 -2.852 1.00 0.00 C ATOM 1049 CD1 PHE A 69 1.516 -21.027 -3.240 1.00 0.00 C ATOM 1050 CD2 PHE A 69 -0.497 -19.750 -3.195 1.00 0.00 C ATOM 1051 CE1 PHE A 69 0.874 -22.015 -3.960 1.00 0.00 C ATOM 1052 CE2 PHE A 69 -1.144 -20.729 -3.912 1.00 0.00 C ATOM 1053 CZ PHE A 69 -0.459 -21.866 -4.298 1.00 0.00 C ATOM 0 H PHE A 69 3.817 -19.689 -1.885 1.00 0.00 H new ATOM 0 HA PHE A 69 2.511 -18.147 -3.881 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.876 -19.233 -1.130 1.00 0.00 H new ATOM 0 HB3 PHE A 69 0.798 -18.038 -1.823 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.557 -21.145 -2.978 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.037 -18.863 -2.896 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.412 -22.903 -4.259 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.185 -20.610 -4.173 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.964 -22.636 -4.862 1.00 0.00 H new ATOM 1063 N SER A 70 2.102 -15.857 -2.939 1.00 0.00 N ATOM 1064 CA SER A 70 2.096 -14.447 -2.572 1.00 0.00 C ATOM 1065 C SER A 70 0.726 -14.072 -2.035 1.00 0.00 C ATOM 1066 O SER A 70 -0.298 -14.426 -2.624 1.00 0.00 O ATOM 1067 CB SER A 70 2.436 -13.551 -3.767 1.00 0.00 C ATOM 1068 OG SER A 70 3.513 -14.079 -4.520 1.00 0.00 O ATOM 0 H SER A 70 1.476 -16.088 -3.711 1.00 0.00 H new ATOM 0 HA SER A 70 2.858 -14.294 -1.808 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.560 -13.447 -4.407 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.693 -12.552 -3.413 1.00 0.00 H new ATOM 0 HG SER A 70 3.705 -13.486 -5.276 1.00 0.00 H new ATOM 1074 N LYS A 71 0.711 -13.362 -0.920 1.00 0.00 N ATOM 1075 CA LYS A 71 -0.539 -12.945 -0.304 1.00 0.00 C ATOM 1076 C LYS A 71 -0.686 -11.431 -0.351 1.00 0.00 C ATOM 1077 O LYS A 71 0.279 -10.711 -0.610 1.00 0.00 O ATOM 1078 CB LYS A 71 -0.616 -13.444 1.140 1.00 0.00 C ATOM 1079 CG LYS A 71 -0.473 -14.956 1.274 1.00 0.00 C ATOM 1080 CD LYS A 71 -1.483 -15.705 0.412 1.00 0.00 C ATOM 1081 CE LYS A 71 -2.747 -16.030 1.192 1.00 0.00 C ATOM 1082 NZ LYS A 71 -3.791 -16.652 0.332 1.00 0.00 N ATOM 0 H LYS A 71 1.549 -13.062 -0.422 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.361 -13.386 -0.869 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.167 -12.961 1.724 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.570 -13.138 1.570 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.537 -15.251 0.988 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.605 -15.241 2.318 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.737 -15.102 -0.460 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.035 -16.627 0.042 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.503 -16.706 2.012 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.142 -15.117 1.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.635 -16.857 0.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.044 -15.997 -0.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.425 -17.537 -0.074 1.00 0.00 H new ATOM 1096 N PHE A 72 -1.901 -10.955 -0.105 1.00 0.00 N ATOM 1097 CA PHE A 72 -2.175 -9.523 -0.123 1.00 0.00 C ATOM 1098 C PHE A 72 -1.909 -8.911 1.246 1.00 0.00 C ATOM 1099 O PHE A 72 -2.085 -9.569 2.272 1.00 0.00 O ATOM 1100 CB PHE A 72 -3.626 -9.242 -0.541 1.00 0.00 C ATOM 1101 CG PHE A 72 -4.229 -10.284 -1.445 1.00 0.00 C ATOM 1102 CD1 PHE A 72 -3.694 -10.529 -2.699 1.00 0.00 C ATOM 1103 CD2 PHE A 72 -5.333 -11.014 -1.038 1.00 0.00 C ATOM 1104 CE1 PHE A 72 -4.248 -11.485 -3.529 1.00 0.00 C ATOM 1105 CE2 PHE A 72 -5.892 -11.970 -1.864 1.00 0.00 C ATOM 1106 CZ PHE A 72 -5.349 -12.205 -3.111 1.00 0.00 C ATOM 0 H PHE A 72 -2.710 -11.538 0.109 1.00 0.00 H new ATOM 0 HA PHE A 72 -1.508 -9.068 -0.855 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.239 -9.159 0.356 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.665 -8.276 -1.045 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.834 -9.967 -3.032 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.762 -10.834 -0.063 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -3.820 -11.669 -4.503 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.753 -12.533 -1.534 1.00 0.00 H new ATOM 0 HZ PHE A 72 -5.785 -12.951 -3.759 1.00 0.00 H new ATOM 1116 N TYR A 73 -1.485 -7.650 1.253 1.00 0.00 N ATOM 1117 CA TYR A 73 -1.201 -6.936 2.490 1.00 0.00 C ATOM 1118 C TYR A 73 -1.724 -5.509 2.396 1.00 0.00 C ATOM 1119 O TYR A 73 -1.610 -4.874 1.352 1.00 0.00 O ATOM 1120 CB TYR A 73 0.303 -6.915 2.773 1.00 0.00 C ATOM 1121 CG TYR A 73 0.921 -8.287 2.937 1.00 0.00 C ATOM 1122 CD1 TYR A 73 1.173 -9.095 1.836 1.00 0.00 C ATOM 1123 CD2 TYR A 73 1.253 -8.772 4.194 1.00 0.00 C ATOM 1124 CE1 TYR A 73 1.738 -10.346 1.984 1.00 0.00 C ATOM 1125 CE2 TYR A 73 1.818 -10.022 4.350 1.00 0.00 C ATOM 1126 CZ TYR A 73 2.058 -10.805 3.242 1.00 0.00 C ATOM 1127 OH TYR A 73 2.622 -12.049 3.393 1.00 0.00 O ATOM 0 H TYR A 73 -1.330 -7.100 0.408 1.00 0.00 H new ATOM 0 HA TYR A 73 -1.701 -7.455 3.308 1.00 0.00 H new ATOM 0 HB2 TYR A 73 0.808 -6.396 1.958 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.483 -6.337 3.679 1.00 0.00 H new ATOM 0 HD1 TYR A 73 0.923 -8.739 0.848 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.066 -8.161 5.065 1.00 0.00 H new ATOM 0 HE1 TYR A 73 1.928 -10.962 1.117 1.00 0.00 H new ATOM 0 HE2 TYR A 73 2.071 -10.384 5.336 1.00 0.00 H new ATOM 0 HH TYR A 73 2.133 -12.548 4.080 1.00 0.00 H new ATOM 1137 N ASN A 74 -2.282 -5.011 3.491 1.00 0.00 N ATOM 1138 CA ASN A 74 -2.820 -3.656 3.537 1.00 0.00 C ATOM 1139 C ASN A 74 -1.928 -2.772 4.396 1.00 0.00 C ATOM 1140 O ASN A 74 -1.758 -3.014 5.592 1.00 0.00 O ATOM 1141 CB ASN A 74 -4.249 -3.666 4.089 1.00 0.00 C ATOM 1142 CG ASN A 74 -5.032 -2.417 3.723 1.00 0.00 C ATOM 1143 OD1 ASN A 74 -4.564 -1.577 2.955 1.00 0.00 O ATOM 1144 ND2 ASN A 74 -6.236 -2.291 4.271 1.00 0.00 N ATOM 0 H ASN A 74 -2.375 -5.528 4.365 1.00 0.00 H new ATOM 0 HA ASN A 74 -2.845 -3.254 2.524 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.774 -4.542 3.709 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -4.213 -3.762 5.174 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -6.810 -1.474 4.060 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -6.587 -3.011 4.903 1.00 0.00 H new ATOM 1151 N VAL A 75 -1.337 -1.763 3.761 1.00 0.00 N ATOM 1152 CA VAL A 75 -0.428 -0.848 4.442 1.00 0.00 C ATOM 1153 C VAL A 75 -0.931 0.595 4.398 1.00 0.00 C ATOM 1154 O VAL A 75 -1.477 1.050 3.385 1.00 0.00 O ATOM 1155 CB VAL A 75 0.994 -0.889 3.823 1.00 0.00 C ATOM 1156 CG1 VAL A 75 2.042 -1.113 4.899 1.00 0.00 C ATOM 1157 CG2 VAL A 75 1.109 -1.955 2.739 1.00 0.00 C ATOM 0 H VAL A 75 -1.473 -1.559 2.771 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.387 -1.184 5.478 1.00 0.00 H new ATOM 0 HB VAL A 75 1.172 0.079 3.355 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.032 -1.138 4.443 1.00 0.00 H new ATOM 0 HG12 VAL A 75 1.998 -0.301 5.625 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.850 -2.061 5.402 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.120 -1.951 2.331 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.894 -2.934 3.167 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.395 -1.743 1.943 1.00 0.00 H new ATOM 1167 N VAL A 76 -0.710 1.312 5.501 1.00 0.00 N ATOM 1168 CA VAL A 76 -1.093 2.717 5.614 1.00 0.00 C ATOM 1169 C VAL A 76 0.162 3.577 5.567 1.00 0.00 C ATOM 1170 O VAL A 76 1.053 3.416 6.401 1.00 0.00 O ATOM 1171 CB VAL A 76 -1.849 3.013 6.929 1.00 0.00 C ATOM 1172 CG1 VAL A 76 -2.540 4.366 6.858 1.00 0.00 C ATOM 1173 CG2 VAL A 76 -2.854 1.915 7.243 1.00 0.00 C ATOM 0 H VAL A 76 -0.262 0.936 6.337 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.761 2.947 4.784 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.118 3.041 7.737 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.066 4.555 7.793 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.796 5.146 6.696 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.253 4.368 6.034 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.371 2.150 8.173 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.580 1.843 6.433 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.333 0.964 7.348 1.00 0.00 H new ATOM 1183 N VAL A 77 0.248 4.469 4.584 1.00 0.00 N ATOM 1184 CA VAL A 77 1.425 5.323 4.441 1.00 0.00 C ATOM 1185 C VAL A 77 1.076 6.801 4.451 1.00 0.00 C ATOM 1186 O VAL A 77 0.025 7.213 3.958 1.00 0.00 O ATOM 1187 CB VAL A 77 2.213 5.023 3.148 1.00 0.00 C ATOM 1188 CG1 VAL A 77 3.461 4.217 3.462 1.00 0.00 C ATOM 1189 CG2 VAL A 77 1.345 4.306 2.126 1.00 0.00 C ATOM 0 H VAL A 77 -0.475 4.619 3.881 1.00 0.00 H new ATOM 0 HA VAL A 77 2.045 5.093 5.307 1.00 0.00 H new ATOM 0 HB VAL A 77 2.518 5.973 2.710 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.005 4.014 2.539 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.098 4.783 4.142 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.177 3.275 3.931 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.929 4.109 1.227 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.994 3.363 2.545 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.489 4.932 1.873 1.00 0.00 H new ATOM 1199 N LEU A 78 1.987 7.589 5.008 1.00 0.00 N ATOM 1200 CA LEU A 78 1.829 9.027 5.090 1.00 0.00 C ATOM 1201 C LEU A 78 2.965 9.729 4.349 1.00 0.00 C ATOM 1202 O LEU A 78 4.143 9.489 4.618 1.00 0.00 O ATOM 1203 CB LEU A 78 1.799 9.461 6.552 1.00 0.00 C ATOM 1204 CG LEU A 78 2.039 10.955 6.797 1.00 0.00 C ATOM 1205 CD1 LEU A 78 1.108 11.807 5.943 1.00 0.00 C ATOM 1206 CD2 LEU A 78 1.865 11.289 8.270 1.00 0.00 C ATOM 0 H LEU A 78 2.856 7.244 5.415 1.00 0.00 H new ATOM 0 HA LEU A 78 0.887 9.308 4.619 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.831 9.191 6.974 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.554 8.894 7.098 1.00 0.00 H new ATOM 0 HG LEU A 78 3.065 11.183 6.508 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.300 12.862 6.137 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.285 11.594 4.889 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.072 11.575 6.191 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.039 12.354 8.425 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.851 11.038 8.583 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.579 10.715 8.860 1.00 0.00 H new ATOM 1218 N GLU A 79 2.593 10.596 3.418 1.00 0.00 N ATOM 1219 CA GLU A 79 3.552 11.352 2.621 1.00 0.00 C ATOM 1220 C GLU A 79 3.923 12.646 3.351 1.00 0.00 C ATOM 1221 O GLU A 79 3.043 13.426 3.713 1.00 0.00 O ATOM 1222 CB GLU A 79 2.919 11.642 1.255 1.00 0.00 C ATOM 1223 CG GLU A 79 3.415 12.903 0.570 1.00 0.00 C ATOM 1224 CD GLU A 79 3.550 12.747 -0.934 1.00 0.00 C ATOM 1225 OE1 GLU A 79 2.549 12.384 -1.590 1.00 0.00 O ATOM 1226 OE2 GLU A 79 4.655 12.995 -1.457 1.00 0.00 O ATOM 0 H GLU A 79 1.618 10.796 3.193 1.00 0.00 H new ATOM 0 HA GLU A 79 4.469 10.781 2.475 1.00 0.00 H new ATOM 0 HB2 GLU A 79 3.106 10.793 0.598 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.839 11.716 1.381 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.727 13.721 0.785 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.382 13.181 0.989 1.00 0.00 H new ATOM 1233 N LYS A 80 5.222 12.865 3.591 1.00 0.00 N ATOM 1234 CA LYS A 80 5.663 14.065 4.307 1.00 0.00 C ATOM 1235 C LYS A 80 6.653 14.895 3.501 1.00 0.00 C ATOM 1236 O LYS A 80 7.587 14.368 2.891 1.00 0.00 O ATOM 1237 CB LYS A 80 6.304 13.695 5.649 1.00 0.00 C ATOM 1238 CG LYS A 80 6.435 14.865 6.610 1.00 0.00 C ATOM 1239 CD LYS A 80 6.881 14.404 7.990 1.00 0.00 C ATOM 1240 CE LYS A 80 5.695 14.012 8.858 1.00 0.00 C ATOM 1241 NZ LYS A 80 6.069 13.021 9.906 1.00 0.00 N ATOM 0 H LYS A 80 5.974 12.238 3.305 1.00 0.00 H new ATOM 0 HA LYS A 80 4.769 14.666 4.473 1.00 0.00 H new ATOM 0 HB2 LYS A 80 5.709 12.914 6.122 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.293 13.276 5.465 1.00 0.00 H new ATOM 0 HG2 LYS A 80 7.153 15.583 6.215 1.00 0.00 H new ATOM 0 HG3 LYS A 80 5.478 15.382 6.689 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.556 13.554 7.890 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.442 15.201 8.477 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.284 14.903 9.333 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.909 13.594 8.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.231 12.783 10.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.437 12.160 9.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.801 13.428 10.523 1.00 0.00 H new ATOM 1255 N ALA A 81 6.456 16.208 3.549 1.00 0.00 N ATOM 1256 CA ALA A 81 7.338 17.150 2.874 1.00 0.00 C ATOM 1257 C ALA A 81 8.374 17.685 3.863 1.00 0.00 C ATOM 1258 O ALA A 81 9.480 18.061 3.474 1.00 0.00 O ATOM 1259 CB ALA A 81 6.537 18.290 2.263 1.00 0.00 C ATOM 0 H ALA A 81 5.685 16.646 4.054 1.00 0.00 H new ATOM 0 HA ALA A 81 7.856 16.634 2.066 1.00 0.00 H new ATOM 0 HB1 ALA A 81 7.214 18.983 1.763 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.828 17.889 1.539 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.995 18.816 3.049 1.00 0.00 H new ATOM 1265 N SER A 82 8.002 17.700 5.150 1.00 0.00 N ATOM 1266 CA SER A 82 8.882 18.170 6.216 1.00 0.00 C ATOM 1267 C SER A 82 10.170 17.349 6.276 1.00 0.00 C ATOM 1268 O SER A 82 11.252 17.908 6.458 1.00 0.00 O ATOM 1269 CB SER A 82 8.162 18.108 7.564 1.00 0.00 C ATOM 1270 OG SER A 82 8.720 19.028 8.485 1.00 0.00 O ATOM 0 H SER A 82 7.087 17.388 5.475 1.00 0.00 H new ATOM 0 HA SER A 82 9.147 19.204 5.997 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.103 18.326 7.424 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.229 17.098 7.969 1.00 0.00 H new ATOM 0 HG SER A 82 8.240 18.969 9.338 1.00 0.00 H new ATOM 1276 N ASP A 83 10.056 16.023 6.115 1.00 0.00 N ATOM 1277 CA ASP A 83 11.237 15.157 6.145 1.00 0.00 C ATOM 1278 C ASP A 83 11.706 14.795 4.728 1.00 0.00 C ATOM 1279 O ASP A 83 12.586 13.948 4.562 1.00 0.00 O ATOM 1280 CB ASP A 83 10.954 13.885 6.951 1.00 0.00 C ATOM 1281 CG ASP A 83 12.022 13.612 7.995 1.00 0.00 C ATOM 1282 OD1 ASP A 83 13.194 13.414 7.610 1.00 0.00 O ATOM 1283 OD2 ASP A 83 11.685 13.594 9.196 1.00 0.00 O ATOM 0 H ASP A 83 9.173 15.536 5.965 1.00 0.00 H new ATOM 0 HA ASP A 83 12.039 15.712 6.633 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.985 13.977 7.442 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.888 13.035 6.272 1.00 0.00 H new ATOM 1288 N ASN A 84 11.120 15.447 3.712 1.00 0.00 N ATOM 1289 CA ASN A 84 11.477 15.206 2.312 1.00 0.00 C ATOM 1290 C ASN A 84 11.521 13.708 1.992 1.00 0.00 C ATOM 1291 O ASN A 84 12.546 13.191 1.543 1.00 0.00 O ATOM 1292 CB ASN A 84 12.829 15.860 1.988 1.00 0.00 C ATOM 1293 CG ASN A 84 12.682 17.158 1.213 1.00 0.00 C ATOM 1294 OD1 ASN A 84 13.275 18.175 1.572 1.00 0.00 O ATOM 1295 ND2 ASN A 84 11.896 17.132 0.140 1.00 0.00 N ATOM 0 H ASN A 84 10.392 16.150 3.839 1.00 0.00 H new ATOM 0 HA ASN A 84 10.704 15.656 1.689 1.00 0.00 H new ATOM 0 HB2 ASN A 84 13.365 16.055 2.917 1.00 0.00 H new ATOM 0 HB3 ASN A 84 13.436 15.163 1.410 1.00 0.00 H new ATOM 0 HD21 ASN A 84 11.767 17.976 -0.419 1.00 0.00 H new ATOM 0 HD22 ASN A 84 11.422 16.268 -0.124 1.00 0.00 H new ATOM 1302 N SER A 85 10.401 13.014 2.221 1.00 0.00 N ATOM 1303 CA SER A 85 10.321 11.582 1.953 1.00 0.00 C ATOM 1304 C SER A 85 8.956 11.011 2.343 1.00 0.00 C ATOM 1305 O SER A 85 8.063 11.731 2.799 1.00 0.00 O ATOM 1306 CB SER A 85 11.429 10.834 2.708 1.00 0.00 C ATOM 1307 OG SER A 85 12.389 10.300 1.813 1.00 0.00 O ATOM 0 H SER A 85 9.542 13.423 2.590 1.00 0.00 H new ATOM 0 HA SER A 85 10.454 11.442 0.880 1.00 0.00 H new ATOM 0 HB2 SER A 85 11.918 11.512 3.407 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.991 10.029 3.298 1.00 0.00 H new ATOM 0 HG SER A 85 12.844 11.032 1.346 1.00 0.00 H new ATOM 1313 N LEU A 86 8.818 9.702 2.168 1.00 0.00 N ATOM 1314 CA LEU A 86 7.586 8.991 2.502 1.00 0.00 C ATOM 1315 C LEU A 86 7.674 8.437 3.924 1.00 0.00 C ATOM 1316 O LEU A 86 8.755 8.410 4.513 1.00 0.00 O ATOM 1317 CB LEU A 86 7.331 7.835 1.521 1.00 0.00 C ATOM 1318 CG LEU A 86 7.522 8.137 0.027 1.00 0.00 C ATOM 1319 CD1 LEU A 86 6.783 9.408 -0.368 1.00 0.00 C ATOM 1320 CD2 LEU A 86 8.999 8.244 -0.324 1.00 0.00 C ATOM 0 H LEU A 86 9.553 9.104 1.792 1.00 0.00 H new ATOM 0 HA LEU A 86 6.759 9.697 2.430 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.993 7.011 1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.310 7.484 1.668 1.00 0.00 H new ATOM 0 HG LEU A 86 7.099 7.307 -0.538 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.933 9.601 -1.430 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.718 9.287 -0.168 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.168 10.247 0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.106 8.458 -1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.453 9.048 0.255 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.497 7.303 -0.092 1.00 0.00 H new ATOM 1332 N LYS A 87 6.541 7.999 4.478 1.00 0.00 N ATOM 1333 CA LYS A 87 6.525 7.451 5.831 1.00 0.00 C ATOM 1334 C LYS A 87 5.479 6.348 5.969 1.00 0.00 C ATOM 1335 O LYS A 87 4.308 6.548 5.653 1.00 0.00 O ATOM 1336 CB LYS A 87 6.264 8.566 6.848 1.00 0.00 C ATOM 1337 CG LYS A 87 5.823 8.072 8.219 1.00 0.00 C ATOM 1338 CD LYS A 87 6.540 8.812 9.337 1.00 0.00 C ATOM 1339 CE LYS A 87 5.572 9.265 10.419 1.00 0.00 C ATOM 1340 NZ LYS A 87 5.480 8.280 11.534 1.00 0.00 N ATOM 0 H LYS A 87 5.633 8.014 4.014 1.00 0.00 H new ATOM 0 HA LYS A 87 7.502 7.011 6.030 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.172 9.157 6.963 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.498 9.232 6.451 1.00 0.00 H new ATOM 0 HG2 LYS A 87 4.746 8.205 8.326 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.022 7.004 8.303 1.00 0.00 H new ATOM 0 HD2 LYS A 87 7.299 8.164 9.775 1.00 0.00 H new ATOM 0 HD3 LYS A 87 7.059 9.678 8.926 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.894 10.229 10.813 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.584 9.412 9.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.810 8.627 12.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.148 7.366 11.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.417 8.158 11.968 1.00 0.00 H new ATOM 1354 N LEU A 88 5.912 5.188 6.455 1.00 0.00 N ATOM 1355 CA LEU A 88 5.017 4.054 6.650 1.00 0.00 C ATOM 1356 C LEU A 88 4.347 4.140 8.022 1.00 0.00 C ATOM 1357 O LEU A 88 5.014 4.057 9.055 1.00 0.00 O ATOM 1358 CB LEU A 88 5.791 2.737 6.509 1.00 0.00 C ATOM 1359 CG LEU A 88 4.968 1.514 6.081 1.00 0.00 C ATOM 1360 CD1 LEU A 88 5.601 0.235 6.607 1.00 0.00 C ATOM 1361 CD2 LEU A 88 3.530 1.627 6.560 1.00 0.00 C ATOM 0 H LEU A 88 6.880 5.010 6.721 1.00 0.00 H new ATOM 0 HA LEU A 88 4.241 4.082 5.885 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.590 2.884 5.782 1.00 0.00 H new ATOM 0 HB3 LEU A 88 6.266 2.514 7.464 1.00 0.00 H new ATOM 0 HG LEU A 88 4.961 1.479 4.992 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.004 -0.622 6.294 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.611 0.139 6.209 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.642 0.270 7.696 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.971 0.747 6.243 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.513 1.695 7.648 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.074 2.520 6.134 1.00 0.00 H new ATOM 1373 N VAL A 89 3.026 4.317 8.020 1.00 0.00 N ATOM 1374 CA VAL A 89 2.257 4.425 9.261 1.00 0.00 C ATOM 1375 C VAL A 89 2.098 3.064 9.936 1.00 0.00 C ATOM 1376 O VAL A 89 2.431 2.909 11.112 1.00 0.00 O ATOM 1377 CB VAL A 89 0.854 5.035 9.023 1.00 0.00 C ATOM 1378 CG1 VAL A 89 0.291 5.595 10.319 1.00 0.00 C ATOM 1379 CG2 VAL A 89 0.896 6.113 7.946 1.00 0.00 C ATOM 0 H VAL A 89 2.465 4.389 7.171 1.00 0.00 H new ATOM 0 HA VAL A 89 2.822 5.090 9.913 1.00 0.00 H new ATOM 0 HB VAL A 89 0.196 4.239 8.673 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.696 6.020 10.134 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.209 4.796 11.056 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.955 6.372 10.699 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.104 6.522 7.802 1.00 0.00 H new ATOM 0 HG22 VAL A 89 1.573 6.910 8.255 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.249 5.679 7.010 1.00 0.00 H new ATOM 1389 N ALA A 90 1.584 2.082 9.191 1.00 0.00 N ATOM 1390 CA ALA A 90 1.384 0.738 9.731 1.00 0.00 C ATOM 1391 C ALA A 90 1.279 -0.310 8.624 1.00 0.00 C ATOM 1392 O ALA A 90 0.719 -0.050 7.560 1.00 0.00 O ATOM 1393 CB ALA A 90 0.141 0.702 10.608 1.00 0.00 C ATOM 0 H ALA A 90 1.301 2.193 8.217 1.00 0.00 H new ATOM 0 HA ALA A 90 2.258 0.493 10.335 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.004 -0.304 11.004 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.258 1.404 11.434 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.730 0.981 10.016 1.00 0.00 H new ATOM 1399 N PHE A 91 1.817 -1.499 8.899 1.00 0.00 N ATOM 1400 CA PHE A 91 1.792 -2.612 7.954 1.00 0.00 C ATOM 1401 C PHE A 91 0.901 -3.729 8.493 1.00 0.00 C ATOM 1402 O PHE A 91 1.059 -4.160 9.636 1.00 0.00 O ATOM 1403 CB PHE A 91 3.218 -3.124 7.703 1.00 0.00 C ATOM 1404 CG PHE A 91 3.314 -4.189 6.643 1.00 0.00 C ATOM 1405 CD1 PHE A 91 2.755 -5.443 6.842 1.00 0.00 C ATOM 1406 CD2 PHE A 91 3.972 -3.935 5.451 1.00 0.00 C ATOM 1407 CE1 PHE A 91 2.852 -6.420 5.871 1.00 0.00 C ATOM 1408 CE2 PHE A 91 4.071 -4.909 4.475 1.00 0.00 C ATOM 1409 CZ PHE A 91 3.510 -6.153 4.686 1.00 0.00 C ATOM 0 H PHE A 91 2.281 -1.716 9.781 1.00 0.00 H new ATOM 0 HA PHE A 91 1.381 -2.269 7.005 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.849 -2.283 7.415 1.00 0.00 H new ATOM 0 HB3 PHE A 91 3.620 -3.519 8.636 1.00 0.00 H new ATOM 0 HD1 PHE A 91 2.239 -5.657 7.766 1.00 0.00 H new ATOM 0 HD2 PHE A 91 4.413 -2.964 5.282 1.00 0.00 H new ATOM 0 HE1 PHE A 91 2.414 -7.393 6.038 1.00 0.00 H new ATOM 0 HE2 PHE A 91 4.586 -4.697 3.550 1.00 0.00 H new ATOM 0 HZ PHE A 91 3.586 -6.916 3.926 1.00 0.00 H new ATOM 1419 N VAL A 92 -0.056 -4.172 7.676 1.00 0.00 N ATOM 1420 CA VAL A 92 -0.993 -5.215 8.090 1.00 0.00 C ATOM 1421 C VAL A 92 -1.138 -6.310 7.030 1.00 0.00 C ATOM 1422 O VAL A 92 -1.194 -6.023 5.834 1.00 0.00 O ATOM 1423 CB VAL A 92 -2.380 -4.608 8.386 1.00 0.00 C ATOM 1424 CG1 VAL A 92 -3.254 -5.593 9.149 1.00 0.00 C ATOM 1425 CG2 VAL A 92 -2.245 -3.305 9.162 1.00 0.00 C ATOM 0 H VAL A 92 -0.202 -3.826 6.728 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.586 -5.667 8.994 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.862 -4.393 7.432 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.226 -5.141 9.345 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.388 -6.497 8.555 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.775 -5.848 10.094 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.235 -2.895 9.360 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.736 -3.495 10.107 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.667 -2.591 8.576 1.00 0.00 H new ATOM 1435 N PRO A 93 -1.213 -7.586 7.462 1.00 0.00 N ATOM 1436 CA PRO A 93 -1.365 -8.725 6.555 1.00 0.00 C ATOM 1437 C PRO A 93 -2.820 -8.939 6.134 1.00 0.00 C ATOM 1438 O PRO A 93 -3.732 -8.827 6.954 1.00 0.00 O ATOM 1439 CB PRO A 93 -0.875 -9.897 7.400 1.00 0.00 C ATOM 1440 CG PRO A 93 -1.231 -9.524 8.799 1.00 0.00 C ATOM 1441 CD PRO A 93 -1.160 -8.018 8.874 1.00 0.00 C ATOM 0 HA PRO A 93 -0.818 -8.590 5.622 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.356 -10.829 7.103 1.00 0.00 H new ATOM 0 HB3 PRO A 93 0.199 -10.044 7.290 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -2.230 -9.878 9.052 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -0.542 -9.980 9.509 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -1.991 -7.608 9.448 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -0.242 -7.685 9.359 1.00 0.00 H new ATOM 1449 N LEU A 94 -3.029 -9.245 4.854 1.00 0.00 N ATOM 1450 CA LEU A 94 -4.376 -9.473 4.328 1.00 0.00 C ATOM 1451 C LEU A 94 -4.624 -10.958 4.032 1.00 0.00 C ATOM 1452 O LEU A 94 -5.456 -11.296 3.189 1.00 0.00 O ATOM 1453 CB LEU A 94 -4.593 -8.644 3.056 1.00 0.00 C ATOM 1454 CG LEU A 94 -5.792 -7.693 3.088 1.00 0.00 C ATOM 1455 CD1 LEU A 94 -7.095 -8.473 3.184 1.00 0.00 C ATOM 1456 CD2 LEU A 94 -5.666 -6.716 4.246 1.00 0.00 C ATOM 0 H LEU A 94 -2.285 -9.341 4.163 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.087 -9.160 5.092 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.693 -8.060 2.866 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.714 -9.326 2.215 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.803 -7.125 2.158 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.934 -7.778 3.205 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.190 -9.130 2.320 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.095 -9.070 4.096 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.527 -6.048 4.253 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.627 -7.268 5.185 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.753 -6.131 4.131 1.00 0.00 H new ATOM 1468 N PHE A 95 -3.900 -11.839 4.726 1.00 0.00 N ATOM 1469 CA PHE A 95 -4.046 -13.282 4.527 1.00 0.00 C ATOM 1470 C PHE A 95 -4.386 -13.999 5.835 1.00 0.00 C ATOM 1471 O PHE A 95 -3.880 -13.578 6.898 1.00 0.00 O ATOM 1472 CB PHE A 95 -2.765 -13.863 3.918 1.00 0.00 C ATOM 1473 CG PHE A 95 -1.569 -13.792 4.827 1.00 0.00 C ATOM 1474 CD1 PHE A 95 -0.878 -12.602 4.997 1.00 0.00 C ATOM 1475 CD2 PHE A 95 -1.137 -14.917 5.511 1.00 0.00 C ATOM 1476 CE1 PHE A 95 0.220 -12.537 5.833 1.00 0.00 C ATOM 1477 CE2 PHE A 95 -0.040 -14.857 6.348 1.00 0.00 C ATOM 1478 CZ PHE A 95 0.640 -13.666 6.509 1.00 0.00 C ATOM 1479 OXT PHE A 95 -5.159 -14.979 5.785 1.00 0.00 O ATOM 0 H PHE A 95 -3.208 -11.579 5.429 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.875 -13.442 3.837 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -2.943 -14.904 3.649 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.539 -13.329 2.995 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.202 -11.716 4.470 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -1.664 -15.852 5.388 1.00 0.00 H new ATOM 0 HE1 PHE A 95 0.750 -11.604 5.958 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.286 -15.741 6.876 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.499 -13.617 7.162 1.00 0.00 H new TER 1489 PHE A 95