USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 690 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 NoAdj-H: A 7 HIS HD1 : A 7 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 9 HIS HE2 : A 9 HIS NE2 : A 501 ZNZN :(H bumps) USER MOD NoAdj-H: A 42 HIS HE2 : A 42 HIS NE2 : A 501 ZNZN :(H bumps) USER MOD NoAdj-H: A 49 HIS HE2 : A 49 HIS NE2 : A 601 ZNZN :(H bumps) USER MOD NoAdj-H: A 79 HIS HE2 : A 79 HIS NE2 : A 701 ZNZN :(H bumps) USER MOD Set 1.1: A 62 ASN : amide:sc= -12.4! C(o=-12!,f=-12!) USER MOD Set 1.2: A 86 SER OG : rot 87:sc=-0.00898 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 SER OG : rot 29:sc= 1.07 USER MOD Single : A -4 SER OG : rot 180:sc= -0.0223 USER MOD Single : A -5 SER OG : rot 180:sc= 0 USER MOD Single : A -6 GLY N :NH3+ -125:sc= 0.0754 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -6.3! C(o=-6.3!,f=-9.9!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 92:sc= 0 USER MOD Single : A 27 SER OG : rot -160:sc= -2.86! USER MOD Single : A 43 SER OG : rot 180:sc=-0.00193 USER MOD Single : A 45 LYS NZ :NH3+ -131:sc= 0.111 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 47:sc= 0.025 USER MOD Single : A 71 MET CE :methyl -168:sc= -1.55 (180deg=-2.12) USER MOD Single : A 74 ASN : amide:sc= -1.52 K(o=-1.5,f=-3.4!) USER MOD Single : A 75 LYS NZ :NH3+ -96:sc= -0.192 (180deg=-1.47!) USER MOD Single : A 82 MET CE :methyl 158:sc= 0 (180deg=-0.167) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 -19.597 38.679 -23.106 1.00 0.00 N ATOM 2 CA GLY A -6 -18.995 37.409 -22.748 1.00 0.00 C ATOM 3 C GLY A -6 -19.593 36.819 -21.486 1.00 0.00 C ATOM 4 O GLY A -6 -20.339 37.489 -20.773 1.00 0.00 O ATOM 0 H1 GLY A -6 -19.955 38.631 -24.081 1.00 0.00 H new ATOM 0 H2 GLY A -6 -20.384 38.885 -22.458 1.00 0.00 H new ATOM 0 H3 GLY A -6 -18.884 39.433 -23.035 1.00 0.00 H new ATOM 0 HA2 GLY A -6 -19.123 36.705 -23.570 1.00 0.00 H new ATOM 0 HA3 GLY A -6 -17.923 37.545 -22.609 1.00 0.00 H new ATOM 8 N SER A -5 -19.265 35.561 -21.210 1.00 0.00 N ATOM 9 CA SER A -5 -19.780 34.879 -20.028 1.00 0.00 C ATOM 10 C SER A -5 -19.127 33.509 -19.864 1.00 0.00 C ATOM 11 O SER A -5 -18.995 32.753 -20.827 1.00 0.00 O ATOM 12 CB SER A -5 -21.299 34.724 -20.124 1.00 0.00 C ATOM 13 OG SER A -5 -21.660 33.889 -21.210 1.00 0.00 O ATOM 0 H SER A -5 -18.645 34.993 -21.788 1.00 0.00 H new ATOM 0 HA SER A -5 -19.538 35.485 -19.155 1.00 0.00 H new ATOM 0 HB2 SER A -5 -21.684 34.304 -19.195 1.00 0.00 H new ATOM 0 HB3 SER A -5 -21.760 35.704 -20.246 1.00 0.00 H new ATOM 0 HG SER A -5 -22.636 33.805 -21.248 1.00 0.00 H new ATOM 19 N SER A -4 -18.721 33.198 -18.638 1.00 0.00 N ATOM 20 CA SER A -4 -18.078 31.921 -18.347 1.00 0.00 C ATOM 21 C SER A -4 -17.950 31.709 -16.842 1.00 0.00 C ATOM 22 O SER A -4 -17.918 32.665 -16.069 1.00 0.00 O ATOM 23 CB SER A -4 -16.697 31.861 -19.002 1.00 0.00 C ATOM 24 OG SER A -4 -15.952 30.756 -18.519 1.00 0.00 O ATOM 0 H SER A -4 -18.825 33.812 -17.830 1.00 0.00 H new ATOM 0 HA SER A -4 -18.701 31.126 -18.757 1.00 0.00 H new ATOM 0 HB2 SER A -4 -16.807 31.785 -20.084 1.00 0.00 H new ATOM 0 HB3 SER A -4 -16.155 32.785 -18.801 1.00 0.00 H new ATOM 0 HG SER A -4 -15.074 30.738 -18.954 1.00 0.00 H new ATOM 30 N GLY A -3 -17.876 30.446 -16.433 1.00 0.00 N ATOM 31 CA GLY A -3 -17.752 30.129 -15.022 1.00 0.00 C ATOM 32 C GLY A -3 -17.674 28.637 -14.768 1.00 0.00 C ATOM 33 O GLY A -3 -18.351 27.851 -15.430 1.00 0.00 O ATOM 0 H GLY A -3 -17.900 29.637 -17.053 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -16.859 30.610 -14.622 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -18.605 30.542 -14.484 1.00 0.00 H new ATOM 37 N SER A -2 -16.844 28.245 -13.806 1.00 0.00 N ATOM 38 CA SER A -2 -16.674 26.836 -13.470 1.00 0.00 C ATOM 39 C SER A -2 -16.046 26.679 -12.088 1.00 0.00 C ATOM 40 O SER A -2 -15.229 27.498 -11.669 1.00 0.00 O ATOM 41 CB SER A -2 -15.806 26.140 -14.519 1.00 0.00 C ATOM 42 OG SER A -2 -16.566 25.800 -15.666 1.00 0.00 O ATOM 0 H SER A -2 -16.279 28.883 -13.246 1.00 0.00 H new ATOM 0 HA SER A -2 -17.659 26.370 -13.458 1.00 0.00 H new ATOM 0 HB2 SER A -2 -14.982 26.794 -14.805 1.00 0.00 H new ATOM 0 HB3 SER A -2 -15.365 25.240 -14.091 1.00 0.00 H new ATOM 0 HG SER A -2 -17.300 26.441 -15.774 1.00 0.00 H new ATOM 48 N SER A -1 -16.434 25.619 -11.385 1.00 0.00 N ATOM 49 CA SER A -1 -15.913 25.356 -10.050 1.00 0.00 C ATOM 50 C SER A -1 -16.348 23.978 -9.559 1.00 0.00 C ATOM 51 O SER A -1 -17.478 23.551 -9.794 1.00 0.00 O ATOM 52 CB SER A -1 -16.389 26.432 -9.072 1.00 0.00 C ATOM 53 OG SER A -1 -17.759 26.261 -8.753 1.00 0.00 O ATOM 0 H SER A -1 -17.107 24.929 -11.719 1.00 0.00 H new ATOM 0 HA SER A -1 -14.824 25.378 -10.101 1.00 0.00 H new ATOM 0 HB2 SER A -1 -15.792 26.389 -8.161 1.00 0.00 H new ATOM 0 HB3 SER A -1 -16.234 27.419 -9.509 1.00 0.00 H new ATOM 0 HG SER A -1 -18.038 26.960 -8.125 1.00 0.00 H new ATOM 59 N GLY A 0 -15.442 23.287 -8.874 1.00 0.00 N ATOM 60 CA GLY A 0 -15.750 21.965 -8.361 1.00 0.00 C ATOM 61 C GLY A 0 -14.694 21.456 -7.399 1.00 0.00 C ATOM 62 O GLY A 0 -13.571 21.959 -7.377 1.00 0.00 O ATOM 0 H GLY A 0 -14.500 23.619 -8.665 1.00 0.00 H new ATOM 0 HA2 GLY A 0 -16.715 21.991 -7.856 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -15.844 21.268 -9.194 1.00 0.00 H new ATOM 66 N MET A 1 -15.055 20.457 -6.601 1.00 0.00 N ATOM 67 CA MET A 1 -14.130 19.880 -5.632 1.00 0.00 C ATOM 68 C MET A 1 -14.629 18.524 -5.144 1.00 0.00 C ATOM 69 O MET A 1 -15.823 18.340 -4.910 1.00 0.00 O ATOM 70 CB MET A 1 -13.946 20.827 -4.445 1.00 0.00 C ATOM 71 CG MET A 1 -15.205 21.008 -3.612 1.00 0.00 C ATOM 72 SD MET A 1 -15.084 22.393 -2.463 1.00 0.00 S ATOM 73 CE MET A 1 -15.509 23.762 -3.538 1.00 0.00 C ATOM 0 H MET A 1 -15.981 20.030 -6.606 1.00 0.00 H new ATOM 0 HA MET A 1 -13.169 19.736 -6.125 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.149 20.446 -3.806 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.621 21.800 -4.814 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.056 21.164 -4.275 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.401 20.093 -3.053 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.478 24.693 -2.971 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.795 23.814 -4.360 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.512 23.613 -3.937 1.00 0.00 H new ATOM 83 N GLU A 2 -13.708 17.578 -4.993 1.00 0.00 N ATOM 84 CA GLU A 2 -14.056 16.239 -4.533 1.00 0.00 C ATOM 85 C GLU A 2 -13.109 15.779 -3.429 1.00 0.00 C ATOM 86 O GLU A 2 -11.890 15.853 -3.573 1.00 0.00 O ATOM 87 CB GLU A 2 -14.016 15.249 -5.700 1.00 0.00 C ATOM 88 CG GLU A 2 -12.652 15.142 -6.361 1.00 0.00 C ATOM 89 CD GLU A 2 -12.678 14.295 -7.618 1.00 0.00 C ATOM 90 OE1 GLU A 2 -13.648 14.416 -8.395 1.00 0.00 O ATOM 91 OE2 GLU A 2 -11.728 13.511 -7.824 1.00 0.00 O ATOM 0 H GLU A 2 -12.715 17.714 -5.183 1.00 0.00 H new ATOM 0 HA GLU A 2 -15.068 16.273 -4.128 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -14.314 14.264 -5.340 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -14.750 15.551 -6.447 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -12.293 16.141 -6.608 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -11.942 14.714 -5.653 1.00 0.00 H new ATOM 98 N GLU A 3 -13.682 15.305 -2.326 1.00 0.00 N ATOM 99 CA GLU A 3 -12.889 14.835 -1.197 1.00 0.00 C ATOM 100 C GLU A 3 -13.623 13.734 -0.437 1.00 0.00 C ATOM 101 O GLU A 3 -14.802 13.870 -0.114 1.00 0.00 O ATOM 102 CB GLU A 3 -12.568 15.995 -0.252 1.00 0.00 C ATOM 103 CG GLU A 3 -11.670 15.603 0.910 1.00 0.00 C ATOM 104 CD GLU A 3 -11.069 16.804 1.614 1.00 0.00 C ATOM 105 OE1 GLU A 3 -10.391 17.608 0.940 1.00 0.00 O ATOM 106 OE2 GLU A 3 -11.277 16.941 2.837 1.00 0.00 O ATOM 0 H GLU A 3 -14.691 15.237 -2.191 1.00 0.00 H new ATOM 0 HA GLU A 3 -11.957 14.425 -1.587 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -12.087 16.792 -0.819 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.500 16.401 0.141 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -12.245 15.017 1.627 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -10.868 14.962 0.544 1.00 0.00 H new ATOM 113 N GLU A 4 -12.916 12.643 -0.157 1.00 0.00 N ATOM 114 CA GLU A 4 -13.502 11.518 0.563 1.00 0.00 C ATOM 115 C GLU A 4 -13.465 11.758 2.069 1.00 0.00 C ATOM 116 O GLU A 4 -12.415 12.067 2.635 1.00 0.00 O ATOM 117 CB GLU A 4 -12.759 10.224 0.223 1.00 0.00 C ATOM 118 CG GLU A 4 -13.467 8.971 0.707 1.00 0.00 C ATOM 119 CD GLU A 4 -14.477 8.447 -0.296 1.00 0.00 C ATOM 120 OE1 GLU A 4 -15.114 9.271 -0.983 1.00 0.00 O ATOM 121 OE2 GLU A 4 -14.629 7.211 -0.393 1.00 0.00 O ATOM 0 H GLU A 4 -11.938 12.515 -0.417 1.00 0.00 H new ATOM 0 HA GLU A 4 -14.543 11.423 0.253 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -12.629 10.163 -0.857 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.762 10.261 0.663 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -12.728 8.196 0.911 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.973 9.185 1.649 1.00 0.00 H new ATOM 128 N LEU A 5 -14.618 11.614 2.713 1.00 0.00 N ATOM 129 CA LEU A 5 -14.719 11.815 4.155 1.00 0.00 C ATOM 130 C LEU A 5 -14.675 10.482 4.895 1.00 0.00 C ATOM 131 O LEU A 5 -14.547 9.424 4.280 1.00 0.00 O ATOM 132 CB LEU A 5 -16.012 12.559 4.496 1.00 0.00 C ATOM 133 CG LEU A 5 -17.278 11.705 4.567 1.00 0.00 C ATOM 134 CD1 LEU A 5 -18.312 12.358 5.472 1.00 0.00 C ATOM 135 CD2 LEU A 5 -17.850 11.483 3.175 1.00 0.00 C ATOM 0 H LEU A 5 -15.496 11.359 2.260 1.00 0.00 H new ATOM 0 HA LEU A 5 -13.867 12.415 4.475 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -15.879 13.057 5.457 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -16.166 13.340 3.751 1.00 0.00 H new ATOM 0 HG LEU A 5 -17.016 10.735 4.989 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -19.206 11.736 5.510 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -17.901 12.465 6.476 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -18.570 13.341 5.079 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -18.751 10.873 3.245 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -18.097 12.445 2.725 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -17.113 10.972 2.556 1.00 0.00 H new ATOM 147 N GLN A 6 -14.784 10.542 6.218 1.00 0.00 N ATOM 148 CA GLN A 6 -14.758 9.339 7.042 1.00 0.00 C ATOM 149 C GLN A 6 -16.086 8.595 6.960 1.00 0.00 C ATOM 150 O GLN A 6 -17.116 9.177 6.618 1.00 0.00 O ATOM 151 CB GLN A 6 -14.450 9.698 8.496 1.00 0.00 C ATOM 152 CG GLN A 6 -15.559 10.482 9.178 1.00 0.00 C ATOM 153 CD GLN A 6 -15.357 10.598 10.676 1.00 0.00 C ATOM 154 OE1 GLN A 6 -14.547 11.398 11.145 1.00 0.00 O ATOM 155 NE2 GLN A 6 -16.095 9.798 11.436 1.00 0.00 N ATOM 0 H GLN A 6 -14.891 11.410 6.742 1.00 0.00 H new ATOM 0 HA GLN A 6 -13.972 8.686 6.662 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -14.267 8.781 9.057 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -13.530 10.282 8.530 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -15.612 11.481 8.744 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -16.515 9.997 8.981 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -16.754 9.150 11.005 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -16.003 9.831 12.451 1.00 0.00 H new ATOM 164 N HIS A 7 -16.056 7.303 7.274 1.00 0.00 N ATOM 165 CA HIS A 7 -17.258 6.479 7.236 1.00 0.00 C ATOM 166 C HIS A 7 -17.629 5.993 8.635 1.00 0.00 C ATOM 167 O HIS A 7 -16.908 5.197 9.237 1.00 0.00 O ATOM 168 CB HIS A 7 -17.053 5.283 6.306 1.00 0.00 C ATOM 169 CG HIS A 7 -17.097 5.640 4.852 1.00 0.00 C ATOM 170 ND1 HIS A 7 -16.386 4.958 3.888 1.00 0.00 N ATOM 171 CD2 HIS A 7 -17.773 6.614 4.200 1.00 0.00 C ATOM 172 CE1 HIS A 7 -16.622 5.498 2.706 1.00 0.00 C ATOM 173 NE2 HIS A 7 -17.461 6.505 2.867 1.00 0.00 N ATOM 0 H HIS A 7 -15.212 6.805 7.557 1.00 0.00 H new ATOM 0 HA HIS A 7 -18.076 7.091 6.854 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -16.092 4.820 6.529 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -17.821 4.537 6.512 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -18.435 7.342 4.645 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -16.200 5.171 1.767 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -17.819 7.104 2.123 1.00 0.00 H new ATOM 181 N SER A 8 -18.756 6.478 9.145 1.00 0.00 N ATOM 182 CA SER A 8 -19.219 6.097 10.475 1.00 0.00 C ATOM 183 C SER A 8 -19.072 4.594 10.690 1.00 0.00 C ATOM 184 O SER A 8 -18.781 4.139 11.797 1.00 0.00 O ATOM 185 CB SER A 8 -20.679 6.511 10.667 1.00 0.00 C ATOM 186 OG SER A 8 -21.084 6.340 12.014 1.00 0.00 O ATOM 0 H SER A 8 -19.366 7.135 8.658 1.00 0.00 H new ATOM 0 HA SER A 8 -18.603 6.614 11.210 1.00 0.00 H new ATOM 0 HB2 SER A 8 -20.806 7.553 10.375 1.00 0.00 H new ATOM 0 HB3 SER A 8 -21.318 5.917 10.014 1.00 0.00 H new ATOM 0 HG SER A 8 -22.020 6.613 12.111 1.00 0.00 H new ATOM 192 N HIS A 9 -19.276 3.827 9.624 1.00 0.00 N ATOM 193 CA HIS A 9 -19.167 2.374 9.696 1.00 0.00 C ATOM 194 C HIS A 9 -17.704 1.939 9.695 1.00 0.00 C ATOM 195 O HIS A 9 -17.184 1.474 10.710 1.00 0.00 O ATOM 196 CB HIS A 9 -19.904 1.727 8.522 1.00 0.00 C ATOM 197 CG HIS A 9 -19.590 0.273 8.346 1.00 0.00 C ATOM 198 ND1 HIS A 9 -20.309 -0.731 8.958 1.00 0.00 N ATOM 199 CD2 HIS A 9 -18.628 -0.343 7.619 1.00 0.00 C ATOM 200 CE1 HIS A 9 -19.802 -1.903 8.617 1.00 0.00 C ATOM 201 NE2 HIS A 9 -18.782 -1.695 7.805 1.00 0.00 N ATOM 0 H HIS A 9 -19.518 4.187 8.701 1.00 0.00 H new ATOM 0 HA HIS A 9 -19.626 2.045 10.629 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -20.978 1.843 8.669 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.649 2.259 7.606 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -21.107 -0.591 9.577 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -17.880 0.139 7.007 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -20.161 -2.867 8.947 1.00 0.00 H new ATOM 209 N CYS A 10 -17.047 2.091 8.551 1.00 0.00 N ATOM 210 CA CYS A 10 -15.645 1.713 8.417 1.00 0.00 C ATOM 211 C CYS A 10 -14.845 2.152 9.640 1.00 0.00 C ATOM 212 O CYS A 10 -14.168 1.343 10.275 1.00 0.00 O ATOM 213 CB CYS A 10 -15.047 2.333 7.153 1.00 0.00 C ATOM 214 SG CYS A 10 -15.985 1.973 5.633 1.00 0.00 S ATOM 0 H CYS A 10 -17.463 2.474 7.702 1.00 0.00 H new ATOM 0 HA CYS A 10 -15.592 0.627 8.341 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.989 3.414 7.284 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.026 1.971 7.032 1.00 0.00 H new ATOM 219 N VAL A 11 -14.928 3.438 9.964 1.00 0.00 N ATOM 220 CA VAL A 11 -14.212 3.985 11.111 1.00 0.00 C ATOM 221 C VAL A 11 -14.327 3.063 12.320 1.00 0.00 C ATOM 222 O VAL A 11 -13.403 2.965 13.127 1.00 0.00 O ATOM 223 CB VAL A 11 -14.744 5.380 11.491 1.00 0.00 C ATOM 224 CG1 VAL A 11 -14.418 6.390 10.401 1.00 0.00 C ATOM 225 CG2 VAL A 11 -16.242 5.327 11.749 1.00 0.00 C ATOM 0 H VAL A 11 -15.484 4.121 9.449 1.00 0.00 H new ATOM 0 HA VAL A 11 -13.165 4.070 10.820 1.00 0.00 H new ATOM 0 HB VAL A 11 -14.252 5.700 12.409 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -14.801 7.370 10.686 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -13.337 6.447 10.269 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -14.881 6.078 9.465 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -16.601 6.321 12.016 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -16.754 4.986 10.849 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -16.446 4.636 12.567 1.00 0.00 H new ATOM 235 N ASN A 12 -15.466 2.389 12.438 1.00 0.00 N ATOM 236 CA ASN A 12 -15.701 1.475 13.549 1.00 0.00 C ATOM 237 C ASN A 12 -15.859 0.042 13.050 1.00 0.00 C ATOM 238 O ASN A 12 -16.684 -0.718 13.560 1.00 0.00 O ATOM 239 CB ASN A 12 -16.949 1.896 14.328 1.00 0.00 C ATOM 240 CG ASN A 12 -18.220 1.730 13.518 1.00 0.00 C ATOM 241 OD1 ASN A 12 -18.334 0.815 12.702 1.00 0.00 O ATOM 242 ND2 ASN A 12 -19.183 2.617 13.739 1.00 0.00 N ATOM 0 H ASN A 12 -16.240 2.459 11.778 1.00 0.00 H new ATOM 0 HA ASN A 12 -14.836 1.517 14.211 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -17.022 1.303 15.239 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -16.849 2.938 14.633 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -20.061 2.556 13.223 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -19.045 3.359 14.425 1.00 0.00 H new ATOM 249 N CYS A 13 -15.063 -0.322 12.051 1.00 0.00 N ATOM 250 CA CYS A 13 -15.113 -1.663 11.482 1.00 0.00 C ATOM 251 C CYS A 13 -13.714 -2.262 11.376 1.00 0.00 C ATOM 252 O CYS A 13 -12.811 -1.660 10.794 1.00 0.00 O ATOM 253 CB CYS A 13 -15.771 -1.630 10.101 1.00 0.00 C ATOM 254 SG CYS A 13 -16.029 -3.274 9.360 1.00 0.00 S ATOM 0 H CYS A 13 -14.375 0.294 11.618 1.00 0.00 H new ATOM 0 HA CYS A 13 -15.708 -2.290 12.146 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -16.733 -1.124 10.181 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -15.153 -1.034 9.430 1.00 0.00 H new ATOM 259 N VAL A 14 -13.541 -3.452 11.943 1.00 0.00 N ATOM 260 CA VAL A 14 -12.252 -4.134 11.913 1.00 0.00 C ATOM 261 C VAL A 14 -12.359 -5.478 11.202 1.00 0.00 C ATOM 262 O VAL A 14 -11.463 -5.869 10.454 1.00 0.00 O ATOM 263 CB VAL A 14 -11.702 -4.358 13.334 1.00 0.00 C ATOM 264 CG1 VAL A 14 -11.437 -3.027 14.020 1.00 0.00 C ATOM 265 CG2 VAL A 14 -12.666 -5.206 14.150 1.00 0.00 C ATOM 0 H VAL A 14 -14.277 -3.964 12.429 1.00 0.00 H new ATOM 0 HA VAL A 14 -11.565 -3.490 11.364 1.00 0.00 H new ATOM 0 HB VAL A 14 -10.756 -4.895 13.259 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -11.049 -3.205 15.023 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -10.706 -2.460 13.444 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -12.366 -2.460 14.086 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.262 -5.355 15.151 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.628 -4.699 14.219 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -12.799 -6.173 13.665 1.00 0.00 H new ATOM 275 N SER A 15 -13.461 -6.182 11.441 1.00 0.00 N ATOM 276 CA SER A 15 -13.684 -7.485 10.827 1.00 0.00 C ATOM 277 C SER A 15 -13.328 -7.455 9.343 1.00 0.00 C ATOM 278 O SER A 15 -13.875 -6.660 8.579 1.00 0.00 O ATOM 279 CB SER A 15 -15.142 -7.914 11.004 1.00 0.00 C ATOM 280 OG SER A 15 -15.259 -9.326 11.031 1.00 0.00 O ATOM 0 H SER A 15 -14.213 -5.871 12.056 1.00 0.00 H new ATOM 0 HA SER A 15 -13.037 -8.208 11.324 1.00 0.00 H new ATOM 0 HB2 SER A 15 -15.538 -7.496 11.929 1.00 0.00 H new ATOM 0 HB3 SER A 15 -15.744 -7.512 10.189 1.00 0.00 H new ATOM 0 HG SER A 15 -16.200 -9.574 11.147 1.00 0.00 H new ATOM 286 N ARG A 16 -12.406 -8.325 8.944 1.00 0.00 N ATOM 287 CA ARG A 16 -11.975 -8.398 7.554 1.00 0.00 C ATOM 288 C ARG A 16 -13.057 -9.029 6.681 1.00 0.00 C ATOM 289 O ARG A 16 -13.122 -8.778 5.478 1.00 0.00 O ATOM 290 CB ARG A 16 -10.680 -9.204 7.441 1.00 0.00 C ATOM 291 CG ARG A 16 -10.762 -10.582 8.076 1.00 0.00 C ATOM 292 CD ARG A 16 -9.808 -11.561 7.410 1.00 0.00 C ATOM 293 NE ARG A 16 -8.486 -11.546 8.033 1.00 0.00 N ATOM 294 CZ ARG A 16 -7.615 -12.544 7.932 1.00 0.00 C ATOM 295 NH1 ARG A 16 -7.924 -13.630 7.236 1.00 0.00 N ATOM 296 NH2 ARG A 16 -6.432 -12.456 8.526 1.00 0.00 N ATOM 0 H ARG A 16 -11.943 -8.989 9.564 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.795 -7.382 7.202 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.421 -9.314 6.388 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -9.872 -8.644 7.911 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.527 -10.509 9.138 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -11.782 -10.958 8.001 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -10.224 -12.567 7.466 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.714 -11.313 6.353 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.218 -10.725 8.575 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.832 -13.700 6.777 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.254 -14.395 7.160 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.191 -11.622 9.061 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.764 -13.223 8.448 1.00 0.00 H new ATOM 310 N ARG A 17 -13.902 -9.849 7.297 1.00 0.00 N ATOM 311 CA ARG A 17 -14.980 -10.517 6.576 1.00 0.00 C ATOM 312 C ARG A 17 -16.279 -9.724 6.684 1.00 0.00 C ATOM 313 O ARG A 17 -17.368 -10.298 6.712 1.00 0.00 O ATOM 314 CB ARG A 17 -15.186 -11.932 7.121 1.00 0.00 C ATOM 315 CG ARG A 17 -14.163 -12.935 6.614 1.00 0.00 C ATOM 316 CD ARG A 17 -14.376 -13.251 5.142 1.00 0.00 C ATOM 317 NE ARG A 17 -13.286 -14.051 4.591 1.00 0.00 N ATOM 318 CZ ARG A 17 -12.050 -13.593 4.423 1.00 0.00 C ATOM 319 NH1 ARG A 17 -11.750 -12.347 4.762 1.00 0.00 N ATOM 320 NH2 ARG A 17 -11.112 -14.382 3.915 1.00 0.00 N ATOM 0 H ARG A 17 -13.862 -10.067 8.293 1.00 0.00 H new ATOM 0 HA ARG A 17 -14.698 -10.577 5.525 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -15.145 -11.902 8.210 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -16.184 -12.275 6.849 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -13.159 -12.538 6.760 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -14.231 -13.853 7.198 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -15.317 -13.787 5.019 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -14.463 -12.321 4.580 1.00 0.00 H new ATOM 0 HE ARG A 17 -13.484 -15.014 4.320 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.469 -11.738 5.153 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.801 -11.998 4.632 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.339 -15.341 3.653 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -10.164 -14.029 3.786 1.00 0.00 H new ATOM 334 N CYS A 18 -16.156 -8.403 6.745 1.00 0.00 N ATOM 335 CA CYS A 18 -17.319 -7.530 6.851 1.00 0.00 C ATOM 336 C CYS A 18 -18.170 -7.602 5.586 1.00 0.00 C ATOM 337 O CYS A 18 -17.690 -7.329 4.487 1.00 0.00 O ATOM 338 CB CYS A 18 -16.879 -6.087 7.102 1.00 0.00 C ATOM 339 SG CYS A 18 -18.050 -4.835 6.485 1.00 0.00 S ATOM 0 H CYS A 18 -15.262 -7.913 6.723 1.00 0.00 H new ATOM 0 HA CYS A 18 -17.922 -7.870 7.693 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -16.740 -5.942 8.173 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -15.910 -5.927 6.630 1.00 0.00 H new ATOM 344 N MET A 19 -19.436 -7.971 5.752 1.00 0.00 N ATOM 345 CA MET A 19 -20.354 -8.077 4.624 1.00 0.00 C ATOM 346 C MET A 19 -21.502 -7.082 4.762 1.00 0.00 C ATOM 347 O MET A 19 -22.654 -7.401 4.464 1.00 0.00 O ATOM 348 CB MET A 19 -20.907 -9.500 4.521 1.00 0.00 C ATOM 349 CG MET A 19 -21.717 -9.927 5.734 1.00 0.00 C ATOM 350 SD MET A 19 -22.177 -11.670 5.684 1.00 0.00 S ATOM 351 CE MET A 19 -21.589 -12.221 7.284 1.00 0.00 C ATOM 0 H MET A 19 -19.849 -8.201 6.656 1.00 0.00 H new ATOM 0 HA MET A 19 -19.801 -7.843 3.714 1.00 0.00 H new ATOM 0 HB2 MET A 19 -21.533 -9.574 3.632 1.00 0.00 H new ATOM 0 HB3 MET A 19 -20.078 -10.194 4.386 1.00 0.00 H new ATOM 0 HG2 MET A 19 -21.140 -9.733 6.638 1.00 0.00 H new ATOM 0 HG3 MET A 19 -22.619 -9.319 5.796 1.00 0.00 H new ATOM 0 HE1 MET A 19 -21.801 -13.283 7.404 1.00 0.00 H new ATOM 0 HE2 MET A 19 -20.514 -12.056 7.353 1.00 0.00 H new ATOM 0 HE3 MET A 19 -22.094 -11.659 8.070 1.00 0.00 H new ATOM 361 N THR A 20 -21.182 -5.875 5.215 1.00 0.00 N ATOM 362 CA THR A 20 -22.186 -4.834 5.394 1.00 0.00 C ATOM 363 C THR A 20 -22.503 -4.143 4.073 1.00 0.00 C ATOM 364 O THR A 20 -21.643 -4.030 3.199 1.00 0.00 O ATOM 365 CB THR A 20 -21.724 -3.777 6.415 1.00 0.00 C ATOM 366 OG1 THR A 20 -21.546 -4.383 7.700 1.00 0.00 O ATOM 367 CG2 THR A 20 -22.737 -2.646 6.518 1.00 0.00 C ATOM 0 H THR A 20 -20.234 -5.594 5.465 1.00 0.00 H new ATOM 0 HA THR A 20 -23.085 -5.323 5.770 1.00 0.00 H new ATOM 0 HB THR A 20 -20.775 -3.364 6.074 1.00 0.00 H new ATOM 0 HG1 THR A 20 -20.618 -4.685 7.794 1.00 0.00 H new ATOM 0 HG21 THR A 20 -22.390 -1.912 7.245 1.00 0.00 H new ATOM 0 HG22 THR A 20 -22.849 -2.168 5.545 1.00 0.00 H new ATOM 0 HG23 THR A 20 -23.699 -3.047 6.839 1.00 0.00 H new ATOM 375 N ARG A 21 -23.741 -3.682 3.933 1.00 0.00 N ATOM 376 CA ARG A 21 -24.171 -3.002 2.717 1.00 0.00 C ATOM 377 C ARG A 21 -23.450 -1.666 2.557 1.00 0.00 C ATOM 378 O ARG A 21 -23.535 -0.781 3.409 1.00 0.00 O ATOM 379 CB ARG A 21 -25.684 -2.777 2.741 1.00 0.00 C ATOM 380 CG ARG A 21 -26.180 -1.853 1.640 1.00 0.00 C ATOM 381 CD ARG A 21 -26.352 -2.596 0.325 1.00 0.00 C ATOM 382 NE ARG A 21 -27.565 -3.410 0.310 1.00 0.00 N ATOM 383 CZ ARG A 21 -27.841 -4.301 -0.635 1.00 0.00 C ATOM 384 NH1 ARG A 21 -26.993 -4.494 -1.637 1.00 0.00 N ATOM 385 NH2 ARG A 21 -28.965 -5.003 -0.579 1.00 0.00 N ATOM 0 H ARG A 21 -24.465 -3.767 4.647 1.00 0.00 H new ATOM 0 HA ARG A 21 -23.918 -3.636 1.867 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -26.187 -3.740 2.650 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -25.966 -2.360 3.708 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -27.131 -1.410 1.936 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -25.474 -1.033 1.506 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -26.387 -1.878 -0.495 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -25.485 -3.234 0.153 1.00 0.00 H new ATOM 0 HE ARG A 21 -28.237 -3.287 1.067 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -26.127 -3.957 -1.683 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -27.207 -5.179 -2.362 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -29.619 -4.859 0.191 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -29.176 -5.687 -1.306 1.00 0.00 H new ATOM 399 N PRO A 22 -22.723 -1.517 1.441 1.00 0.00 N ATOM 400 CA PRO A 22 -21.973 -0.293 1.142 1.00 0.00 C ATOM 401 C PRO A 22 -22.888 0.884 0.821 1.00 0.00 C ATOM 402 O PRO A 22 -23.487 0.940 -0.252 1.00 0.00 O ATOM 403 CB PRO A 22 -21.143 -0.676 -0.085 1.00 0.00 C ATOM 404 CG PRO A 22 -21.911 -1.775 -0.734 1.00 0.00 C ATOM 405 CD PRO A 22 -22.576 -2.530 0.383 1.00 0.00 C ATOM 0 HA PRO A 22 -21.375 0.036 1.992 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -21.019 0.172 -0.759 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -20.144 -1.006 0.200 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -22.649 -1.377 -1.430 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -21.251 -2.427 -1.307 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -23.541 -2.933 0.076 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -21.969 -3.373 0.715 1.00 0.00 H new ATOM 413 N GLU A 23 -22.990 1.821 1.758 1.00 0.00 N ATOM 414 CA GLU A 23 -23.833 2.997 1.573 1.00 0.00 C ATOM 415 C GLU A 23 -23.013 4.180 1.067 1.00 0.00 C ATOM 416 O GLU A 23 -21.791 4.227 1.210 1.00 0.00 O ATOM 417 CB GLU A 23 -24.526 3.367 2.886 1.00 0.00 C ATOM 418 CG GLU A 23 -25.892 2.723 3.057 1.00 0.00 C ATOM 419 CD GLU A 23 -26.704 2.731 1.776 1.00 0.00 C ATOM 420 OE1 GLU A 23 -26.574 1.773 0.986 1.00 0.00 O ATOM 421 OE2 GLU A 23 -27.469 3.695 1.565 1.00 0.00 O ATOM 0 H GLU A 23 -22.500 1.789 2.652 1.00 0.00 H new ATOM 0 HA GLU A 23 -24.590 2.756 0.827 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -23.888 3.072 3.719 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -24.636 4.450 2.936 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -25.765 1.695 3.396 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -26.443 3.250 3.836 1.00 0.00 H new ATOM 428 N PRO A 24 -23.701 5.159 0.460 1.00 0.00 N ATOM 429 CA PRO A 24 -23.057 6.360 -0.080 1.00 0.00 C ATOM 430 C PRO A 24 -22.529 7.278 1.017 1.00 0.00 C ATOM 431 O PRO A 24 -22.126 8.410 0.753 1.00 0.00 O ATOM 432 CB PRO A 24 -24.184 7.048 -0.855 1.00 0.00 C ATOM 433 CG PRO A 24 -25.437 6.573 -0.203 1.00 0.00 C ATOM 434 CD PRO A 24 -25.159 5.169 0.255 1.00 0.00 C ATOM 0 HA PRO A 24 -22.187 6.117 -0.690 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -24.096 8.133 -0.801 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -24.160 6.778 -1.911 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -25.705 7.212 0.638 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -26.274 6.597 -0.901 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -25.696 4.933 1.174 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -25.465 4.435 -0.491 1.00 0.00 H new ATOM 442 N GLY A 25 -22.533 6.781 2.251 1.00 0.00 N ATOM 443 CA GLY A 25 -22.051 7.570 3.369 1.00 0.00 C ATOM 444 C GLY A 25 -21.650 6.713 4.553 1.00 0.00 C ATOM 445 O GLY A 25 -20.515 6.786 5.025 1.00 0.00 O ATOM 0 H GLY A 25 -22.861 5.847 2.495 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -21.195 8.164 3.048 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -22.828 8.270 3.677 1.00 0.00 H new ATOM 449 N ILE A 26 -22.584 5.900 5.036 1.00 0.00 N ATOM 450 CA ILE A 26 -22.321 5.026 6.172 1.00 0.00 C ATOM 451 C ILE A 26 -21.095 4.153 5.924 1.00 0.00 C ATOM 452 O ILE A 26 -20.015 4.419 6.450 1.00 0.00 O ATOM 453 CB ILE A 26 -23.529 4.120 6.476 1.00 0.00 C ATOM 454 CG1 ILE A 26 -24.673 4.941 7.074 1.00 0.00 C ATOM 455 CG2 ILE A 26 -23.125 2.998 7.421 1.00 0.00 C ATOM 456 CD1 ILE A 26 -25.136 6.072 6.181 1.00 0.00 C ATOM 0 H ILE A 26 -23.529 5.829 4.658 1.00 0.00 H new ATOM 0 HA ILE A 26 -22.136 5.672 7.030 1.00 0.00 H new ATOM 0 HB ILE A 26 -23.875 3.676 5.543 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -25.516 4.281 7.277 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -24.353 5.352 8.031 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -23.989 2.366 7.626 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -22.339 2.399 6.960 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -22.757 3.423 8.354 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -25.948 6.611 6.668 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -24.306 6.754 5.998 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -25.487 5.666 5.232 1.00 0.00 H new ATOM 468 N SER A 27 -21.271 3.112 5.117 1.00 0.00 N ATOM 469 CA SER A 27 -20.179 2.199 4.799 1.00 0.00 C ATOM 470 C SER A 27 -19.916 2.167 3.297 1.00 0.00 C ATOM 471 O SER A 27 -20.779 2.530 2.496 1.00 0.00 O ATOM 472 CB SER A 27 -20.502 0.790 5.302 1.00 0.00 C ATOM 473 OG SER A 27 -19.389 -0.073 5.149 1.00 0.00 O ATOM 0 H SER A 27 -22.159 2.880 4.672 1.00 0.00 H new ATOM 0 HA SER A 27 -19.280 2.559 5.299 1.00 0.00 H new ATOM 0 HB2 SER A 27 -20.792 0.833 6.352 1.00 0.00 H new ATOM 0 HB3 SER A 27 -21.354 0.391 4.752 1.00 0.00 H new ATOM 0 HG SER A 27 -19.692 -1.005 5.169 1.00 0.00 H new ATOM 479 N CYS A 28 -18.718 1.732 2.921 1.00 0.00 N ATOM 480 CA CYS A 28 -18.339 1.653 1.516 1.00 0.00 C ATOM 481 C CYS A 28 -17.955 0.226 1.135 1.00 0.00 C ATOM 482 O CYS A 28 -17.832 -0.645 1.997 1.00 0.00 O ATOM 483 CB CYS A 28 -17.174 2.601 1.226 1.00 0.00 C ATOM 484 SG CYS A 28 -15.601 2.104 1.998 1.00 0.00 S ATOM 0 H CYS A 28 -17.993 1.429 3.571 1.00 0.00 H new ATOM 0 HA CYS A 28 -19.199 1.951 0.917 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -17.032 2.666 0.147 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -17.437 3.600 1.574 1.00 0.00 H new ATOM 489 N ASP A 29 -17.766 -0.005 -0.159 1.00 0.00 N ATOM 490 CA ASP A 29 -17.394 -1.325 -0.654 1.00 0.00 C ATOM 491 C ASP A 29 -16.036 -1.749 -0.102 1.00 0.00 C ATOM 492 O ASP A 29 -15.160 -0.915 0.130 1.00 0.00 O ATOM 493 CB ASP A 29 -17.361 -1.329 -2.183 1.00 0.00 C ATOM 494 CG ASP A 29 -18.467 -0.488 -2.789 1.00 0.00 C ATOM 495 OD1 ASP A 29 -18.271 0.738 -2.930 1.00 0.00 O ATOM 496 OD2 ASP A 29 -19.529 -1.055 -3.121 1.00 0.00 O ATOM 0 H ASP A 29 -17.864 0.705 -0.885 1.00 0.00 H new ATOM 0 HA ASP A 29 -18.144 -2.039 -0.313 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -16.396 -0.954 -2.523 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -17.450 -2.354 -2.543 1.00 0.00 H new ATOM 501 N LEU A 30 -15.869 -3.051 0.107 1.00 0.00 N ATOM 502 CA LEU A 30 -14.618 -3.587 0.632 1.00 0.00 C ATOM 503 C LEU A 30 -13.697 -4.029 -0.500 1.00 0.00 C ATOM 504 O LEU A 30 -14.155 -4.547 -1.519 1.00 0.00 O ATOM 505 CB LEU A 30 -14.899 -4.764 1.567 1.00 0.00 C ATOM 506 CG LEU A 30 -15.107 -4.416 3.042 1.00 0.00 C ATOM 507 CD1 LEU A 30 -15.747 -5.581 3.780 1.00 0.00 C ATOM 508 CD2 LEU A 30 -13.785 -4.033 3.691 1.00 0.00 C ATOM 0 H LEU A 30 -16.584 -3.754 -0.079 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.119 -2.797 1.193 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.788 -5.283 1.208 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -14.069 -5.466 1.494 1.00 0.00 H new ATOM 0 HG LEU A 30 -15.780 -3.561 3.102 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -15.887 -5.315 4.828 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -16.714 -5.809 3.331 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -15.100 -6.455 3.711 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.952 -3.789 4.740 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.089 -4.869 3.619 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.366 -3.167 3.179 1.00 0.00 H new ATOM 520 N ILE A 31 -12.398 -3.823 -0.313 1.00 0.00 N ATOM 521 CA ILE A 31 -11.412 -4.204 -1.317 1.00 0.00 C ATOM 522 C ILE A 31 -10.174 -4.814 -0.669 1.00 0.00 C ATOM 523 O ILE A 31 -9.819 -4.473 0.459 1.00 0.00 O ATOM 524 CB ILE A 31 -10.988 -2.998 -2.175 1.00 0.00 C ATOM 525 CG1 ILE A 31 -10.399 -1.897 -1.291 1.00 0.00 C ATOM 526 CG2 ILE A 31 -12.173 -2.470 -2.969 1.00 0.00 C ATOM 527 CD1 ILE A 31 -8.901 -2.005 -1.109 1.00 0.00 C ATOM 0 H ILE A 31 -12.004 -3.394 0.524 1.00 0.00 H new ATOM 0 HA ILE A 31 -11.886 -4.947 -1.958 1.00 0.00 H new ATOM 0 HB ILE A 31 -10.221 -3.323 -2.878 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -10.635 -0.927 -1.728 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -10.879 -1.932 -0.313 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -11.857 -1.618 -3.570 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -12.552 -3.255 -3.623 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -12.961 -2.158 -2.283 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -8.552 -1.192 -0.472 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.659 -2.961 -0.644 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -8.411 -1.940 -2.080 1.00 0.00 H new ATOM 539 N GLY A 32 -9.519 -5.718 -1.391 1.00 0.00 N ATOM 540 CA GLY A 32 -8.325 -6.359 -0.870 1.00 0.00 C ATOM 541 C GLY A 32 -7.061 -5.594 -1.208 1.00 0.00 C ATOM 542 O GLY A 32 -6.943 -5.025 -2.294 1.00 0.00 O ATOM 0 H GLY A 32 -9.793 -6.018 -2.327 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.410 -6.453 0.213 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.253 -7.369 -1.273 1.00 0.00 H new ATOM 546 N CYS A 33 -6.114 -5.578 -0.276 1.00 0.00 N ATOM 547 CA CYS A 33 -4.853 -4.876 -0.479 1.00 0.00 C ATOM 548 C CYS A 33 -4.340 -5.079 -1.902 1.00 0.00 C ATOM 549 O CYS A 33 -4.325 -6.191 -2.430 1.00 0.00 O ATOM 550 CB CYS A 33 -3.807 -5.361 0.526 1.00 0.00 C ATOM 551 SG CYS A 33 -2.447 -4.183 0.812 1.00 0.00 S ATOM 0 H CYS A 33 -6.196 -6.044 0.628 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.030 -3.812 -0.324 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.300 -5.568 1.476 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.389 -6.303 0.172 1.00 0.00 H new ATOM 556 N PRO A 34 -3.908 -3.979 -2.537 1.00 0.00 N ATOM 557 CA PRO A 34 -3.385 -4.011 -3.907 1.00 0.00 C ATOM 558 C PRO A 34 -2.034 -4.712 -3.995 1.00 0.00 C ATOM 559 O PRO A 34 -1.447 -4.817 -5.073 1.00 0.00 O ATOM 560 CB PRO A 34 -3.243 -2.529 -4.266 1.00 0.00 C ATOM 561 CG PRO A 34 -3.080 -1.836 -2.958 1.00 0.00 C ATOM 562 CD PRO A 34 -3.896 -2.621 -1.968 1.00 0.00 C ATOM 0 HA PRO A 34 -4.038 -4.567 -4.580 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -2.383 -2.359 -4.914 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.121 -2.165 -4.800 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.032 -1.804 -2.661 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.426 -0.804 -3.017 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.447 -2.605 -0.975 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.904 -2.218 -1.869 1.00 0.00 H new ATOM 570 N LEU A 35 -1.545 -5.191 -2.857 1.00 0.00 N ATOM 571 CA LEU A 35 -0.262 -5.884 -2.806 1.00 0.00 C ATOM 572 C LEU A 35 -0.441 -7.328 -2.349 1.00 0.00 C ATOM 573 O LEU A 35 0.508 -7.970 -1.900 1.00 0.00 O ATOM 574 CB LEU A 35 0.697 -5.154 -1.864 1.00 0.00 C ATOM 575 CG LEU A 35 1.172 -3.776 -2.325 1.00 0.00 C ATOM 576 CD1 LEU A 35 1.946 -3.079 -1.217 1.00 0.00 C ATOM 577 CD2 LEU A 35 2.027 -3.899 -3.578 1.00 0.00 C ATOM 0 H LEU A 35 -2.017 -5.112 -1.956 1.00 0.00 H new ATOM 0 HA LEU A 35 0.160 -5.890 -3.811 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.209 -5.043 -0.896 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.572 -5.785 -1.709 1.00 0.00 H new ATOM 0 HG LEU A 35 0.296 -3.172 -2.563 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.276 -2.100 -1.564 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.303 -2.957 -0.345 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.815 -3.680 -0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.357 -2.909 -3.892 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.897 -4.520 -3.365 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.441 -4.356 -4.375 1.00 0.00 H new ATOM 589 N VAL A 36 -1.665 -7.834 -2.469 1.00 0.00 N ATOM 590 CA VAL A 36 -1.968 -9.204 -2.072 1.00 0.00 C ATOM 591 C VAL A 36 -1.333 -9.539 -0.727 1.00 0.00 C ATOM 592 O VAL A 36 -0.874 -10.660 -0.507 1.00 0.00 O ATOM 593 CB VAL A 36 -1.477 -10.215 -3.125 1.00 0.00 C ATOM 594 CG1 VAL A 36 -2.102 -9.922 -4.480 1.00 0.00 C ATOM 595 CG2 VAL A 36 0.042 -10.196 -3.215 1.00 0.00 C ATOM 0 H VAL A 36 -2.462 -7.316 -2.838 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.052 -9.277 -1.987 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.788 -11.213 -2.816 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.743 -10.647 -5.211 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.187 -9.992 -4.403 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.825 -8.917 -4.799 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.371 -10.916 -3.964 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.377 -9.198 -3.499 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.467 -10.459 -2.247 1.00 0.00 H new ATOM 605 N CYS A 37 -1.312 -8.560 0.171 1.00 0.00 N ATOM 606 CA CYS A 37 -0.734 -8.750 1.496 1.00 0.00 C ATOM 607 C CYS A 37 -1.517 -9.794 2.286 1.00 0.00 C ATOM 608 O CYS A 37 -0.981 -10.436 3.189 1.00 0.00 O ATOM 609 CB CYS A 37 -0.713 -7.425 2.261 1.00 0.00 C ATOM 610 SG CYS A 37 -2.251 -7.068 3.171 1.00 0.00 S ATOM 0 H CYS A 37 -1.689 -7.627 0.005 1.00 0.00 H new ATOM 0 HA CYS A 37 0.289 -9.106 1.372 1.00 0.00 H new ATOM 0 HB2 CYS A 37 0.119 -7.437 2.965 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.523 -6.614 1.557 1.00 0.00 H new ATOM 615 N GLY A 38 -2.790 -9.958 1.940 1.00 0.00 N ATOM 616 CA GLY A 38 -3.627 -10.925 2.626 1.00 0.00 C ATOM 617 C GLY A 38 -4.510 -10.284 3.678 1.00 0.00 C ATOM 618 O GLY A 38 -4.563 -10.745 4.818 1.00 0.00 O ATOM 0 H GLY A 38 -3.257 -9.438 1.197 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.252 -11.442 1.897 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.996 -11.679 3.096 1.00 0.00 H new ATOM 622 N ALA A 39 -5.204 -9.217 3.297 1.00 0.00 N ATOM 623 CA ALA A 39 -6.089 -8.512 4.216 1.00 0.00 C ATOM 624 C ALA A 39 -7.160 -7.734 3.459 1.00 0.00 C ATOM 625 O ALA A 39 -6.872 -7.073 2.461 1.00 0.00 O ATOM 626 CB ALA A 39 -5.286 -7.577 5.108 1.00 0.00 C ATOM 0 H ALA A 39 -5.170 -8.821 2.357 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.589 -9.253 4.840 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.959 -7.057 5.789 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.563 -8.155 5.683 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.760 -6.848 4.491 1.00 0.00 H new ATOM 632 N VAL A 40 -8.396 -7.818 3.939 1.00 0.00 N ATOM 633 CA VAL A 40 -9.511 -7.122 3.307 1.00 0.00 C ATOM 634 C VAL A 40 -9.969 -5.939 4.153 1.00 0.00 C ATOM 635 O VAL A 40 -10.423 -6.110 5.284 1.00 0.00 O ATOM 636 CB VAL A 40 -10.705 -8.067 3.076 1.00 0.00 C ATOM 637 CG1 VAL A 40 -11.864 -7.316 2.439 1.00 0.00 C ATOM 638 CG2 VAL A 40 -10.288 -9.250 2.215 1.00 0.00 C ATOM 0 H VAL A 40 -8.651 -8.361 4.764 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.153 -6.760 2.343 1.00 0.00 H new ATOM 0 HB VAL A 40 -11.037 -8.448 4.041 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.699 -7.999 2.283 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -12.177 -6.505 3.096 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.548 -6.905 1.480 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.143 -9.908 2.062 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.930 -8.890 1.251 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.492 -9.801 2.715 1.00 0.00 H new ATOM 648 N PHE A 41 -9.849 -4.738 3.596 1.00 0.00 N ATOM 649 CA PHE A 41 -10.251 -3.526 4.299 1.00 0.00 C ATOM 650 C PHE A 41 -11.074 -2.618 3.390 1.00 0.00 C ATOM 651 O PHE A 41 -11.053 -2.761 2.167 1.00 0.00 O ATOM 652 CB PHE A 41 -9.019 -2.775 4.809 1.00 0.00 C ATOM 653 CG PHE A 41 -7.832 -2.877 3.894 1.00 0.00 C ATOM 654 CD1 PHE A 41 -6.977 -3.965 3.967 1.00 0.00 C ATOM 655 CD2 PHE A 41 -7.572 -1.886 2.961 1.00 0.00 C ATOM 656 CE1 PHE A 41 -5.884 -4.063 3.126 1.00 0.00 C ATOM 657 CE2 PHE A 41 -6.482 -1.979 2.117 1.00 0.00 C ATOM 658 CZ PHE A 41 -5.636 -3.068 2.200 1.00 0.00 C ATOM 0 H PHE A 41 -9.477 -4.579 2.660 1.00 0.00 H new ATOM 0 HA PHE A 41 -10.869 -3.816 5.149 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -9.274 -1.724 4.944 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -8.746 -3.165 5.790 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -7.167 -4.745 4.689 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -8.229 -1.031 2.893 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.225 -4.916 3.193 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -6.291 -1.201 1.393 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.782 -3.141 1.542 1.00 0.00 H new ATOM 668 N HIS A 42 -11.799 -1.683 3.996 1.00 0.00 N ATOM 669 CA HIS A 42 -12.630 -0.751 3.243 1.00 0.00 C ATOM 670 C HIS A 42 -11.773 0.138 2.347 1.00 0.00 C ATOM 671 O HIS A 42 -10.803 0.744 2.802 1.00 0.00 O ATOM 672 CB HIS A 42 -13.458 0.112 4.195 1.00 0.00 C ATOM 673 CG HIS A 42 -14.639 -0.602 4.777 1.00 0.00 C ATOM 674 ND1 HIS A 42 -15.861 -0.676 4.142 1.00 0.00 N ATOM 675 CD2 HIS A 42 -14.779 -1.279 5.940 1.00 0.00 C ATOM 676 CE1 HIS A 42 -16.703 -1.365 4.892 1.00 0.00 C ATOM 677 NE2 HIS A 42 -16.071 -1.743 5.988 1.00 0.00 N ATOM 0 H HIS A 42 -11.828 -1.551 5.007 1.00 0.00 H new ATOM 0 HA HIS A 42 -13.304 -1.331 2.613 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -12.818 0.460 5.006 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -13.805 0.997 3.661 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -16.081 -0.263 3.235 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -14.017 -1.427 6.691 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -17.733 -1.582 4.650 1.00 0.00 H new ATOM 685 N SER A 43 -12.137 0.211 1.071 1.00 0.00 N ATOM 686 CA SER A 43 -11.399 1.022 0.110 1.00 0.00 C ATOM 687 C SER A 43 -10.843 2.278 0.773 1.00 0.00 C ATOM 688 O SER A 43 -9.688 2.648 0.560 1.00 0.00 O ATOM 689 CB SER A 43 -12.302 1.408 -1.064 1.00 0.00 C ATOM 690 OG SER A 43 -13.449 2.109 -0.615 1.00 0.00 O ATOM 0 H SER A 43 -12.939 -0.282 0.678 1.00 0.00 H new ATOM 0 HA SER A 43 -10.564 0.429 -0.263 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.745 2.028 -1.767 1.00 0.00 H new ATOM 0 HB3 SER A 43 -12.608 0.511 -1.602 1.00 0.00 H new ATOM 0 HG SER A 43 -14.009 2.346 -1.383 1.00 0.00 H new ATOM 696 N CYS A 44 -11.673 2.931 1.579 1.00 0.00 N ATOM 697 CA CYS A 44 -11.268 4.146 2.275 1.00 0.00 C ATOM 698 C CYS A 44 -10.173 3.849 3.296 1.00 0.00 C ATOM 699 O CYS A 44 -9.168 4.556 3.370 1.00 0.00 O ATOM 700 CB CYS A 44 -12.470 4.786 2.971 1.00 0.00 C ATOM 701 SG CYS A 44 -13.111 3.826 4.381 1.00 0.00 S ATOM 0 H CYS A 44 -12.632 2.638 1.766 1.00 0.00 H new ATOM 0 HA CYS A 44 -10.872 4.843 1.536 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -12.188 5.779 3.320 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -13.270 4.919 2.242 1.00 0.00 H new ATOM 706 N LYS A 45 -10.376 2.797 4.082 1.00 0.00 N ATOM 707 CA LYS A 45 -9.407 2.403 5.098 1.00 0.00 C ATOM 708 C LYS A 45 -8.038 2.151 4.476 1.00 0.00 C ATOM 709 O LYS A 45 -7.009 2.509 5.050 1.00 0.00 O ATOM 710 CB LYS A 45 -9.886 1.147 5.829 1.00 0.00 C ATOM 711 CG LYS A 45 -11.065 1.393 6.755 1.00 0.00 C ATOM 712 CD LYS A 45 -10.668 2.249 7.946 1.00 0.00 C ATOM 713 CE LYS A 45 -11.497 1.910 9.176 1.00 0.00 C ATOM 714 NZ LYS A 45 -10.878 0.820 9.979 1.00 0.00 N ATOM 0 H LYS A 45 -11.203 2.202 4.035 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.316 3.220 5.814 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -10.164 0.393 5.093 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.059 0.737 6.409 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.866 1.885 6.203 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.459 0.439 7.106 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.611 2.101 8.166 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.797 3.302 7.698 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.608 2.800 9.796 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.498 1.610 8.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.595 0.098 10.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.103 0.387 9.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.503 1.212 10.866 1.00 0.00 H new ATOM 728 N ALA A 46 -8.032 1.534 3.299 1.00 0.00 N ATOM 729 CA ALA A 46 -6.789 1.238 2.598 1.00 0.00 C ATOM 730 C ALA A 46 -5.741 2.314 2.859 1.00 0.00 C ATOM 731 O ALA A 46 -4.670 2.033 3.397 1.00 0.00 O ATOM 732 CB ALA A 46 -7.045 1.100 1.104 1.00 0.00 C ATOM 0 H ALA A 46 -8.874 1.229 2.811 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.403 0.292 2.979 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.108 0.879 0.593 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.753 0.290 0.929 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.458 2.032 0.718 1.00 0.00 H new ATOM 738 N ASP A 47 -6.056 3.546 2.476 1.00 0.00 N ATOM 739 CA ASP A 47 -5.142 4.665 2.669 1.00 0.00 C ATOM 740 C ASP A 47 -4.371 4.516 3.977 1.00 0.00 C ATOM 741 O ASP A 47 -3.148 4.650 4.006 1.00 0.00 O ATOM 742 CB ASP A 47 -5.911 5.987 2.664 1.00 0.00 C ATOM 743 CG ASP A 47 -6.094 6.544 1.266 1.00 0.00 C ATOM 744 OD1 ASP A 47 -5.079 6.727 0.563 1.00 0.00 O ATOM 745 OD2 ASP A 47 -7.253 6.798 0.875 1.00 0.00 O ATOM 0 H ASP A 47 -6.939 3.795 2.029 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.429 4.666 1.845 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.888 5.838 3.123 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.379 6.716 3.276 1.00 0.00 H new ATOM 750 N GLU A 48 -5.095 4.240 5.058 1.00 0.00 N ATOM 751 CA GLU A 48 -4.478 4.076 6.369 1.00 0.00 C ATOM 752 C GLU A 48 -3.820 2.705 6.492 1.00 0.00 C ATOM 753 O GLU A 48 -2.660 2.594 6.892 1.00 0.00 O ATOM 754 CB GLU A 48 -5.521 4.254 7.474 1.00 0.00 C ATOM 755 CG GLU A 48 -6.243 5.591 7.420 1.00 0.00 C ATOM 756 CD GLU A 48 -6.764 6.027 8.775 1.00 0.00 C ATOM 757 OE1 GLU A 48 -7.663 5.348 9.313 1.00 0.00 O ATOM 758 OE2 GLU A 48 -6.272 7.048 9.299 1.00 0.00 O ATOM 0 H GLU A 48 -6.109 4.125 5.051 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.709 4.841 6.479 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.255 3.451 7.402 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.032 4.153 8.443 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.564 6.351 7.034 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.075 5.522 6.720 1.00 0.00 H new ATOM 765 N HIS A 49 -4.568 1.662 6.146 1.00 0.00 N ATOM 766 CA HIS A 49 -4.058 0.298 6.218 1.00 0.00 C ATOM 767 C HIS A 49 -2.635 0.220 5.673 1.00 0.00 C ATOM 768 O HIS A 49 -1.718 -0.223 6.366 1.00 0.00 O ATOM 769 CB HIS A 49 -4.968 -0.651 5.436 1.00 0.00 C ATOM 770 CG HIS A 49 -4.350 -1.989 5.169 1.00 0.00 C ATOM 771 ND1 HIS A 49 -4.450 -3.052 6.041 1.00 0.00 N ATOM 772 CD2 HIS A 49 -3.621 -2.434 4.118 1.00 0.00 C ATOM 773 CE1 HIS A 49 -3.809 -4.093 5.540 1.00 0.00 C ATOM 774 NE2 HIS A 49 -3.298 -3.744 4.373 1.00 0.00 N ATOM 0 H HIS A 49 -5.529 1.736 5.813 1.00 0.00 H new ATOM 0 HA HIS A 49 -4.044 -0.003 7.265 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -5.895 -0.792 5.992 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -5.233 -0.186 4.486 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -4.942 -3.037 6.934 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -3.345 -1.865 3.243 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.718 -5.063 6.005 1.00 0.00 H new ATOM 782 N ARG A 50 -2.458 0.654 4.429 1.00 0.00 N ATOM 783 CA ARG A 50 -1.147 0.631 3.792 1.00 0.00 C ATOM 784 C ARG A 50 -0.050 0.984 4.792 1.00 0.00 C ATOM 785 O ARG A 50 0.998 0.338 4.835 1.00 0.00 O ATOM 786 CB ARG A 50 -1.112 1.608 2.615 1.00 0.00 C ATOM 787 CG ARG A 50 -2.090 1.259 1.505 1.00 0.00 C ATOM 788 CD ARG A 50 -2.330 2.443 0.581 1.00 0.00 C ATOM 789 NE ARG A 50 -1.168 2.727 -0.258 1.00 0.00 N ATOM 790 CZ ARG A 50 -1.040 3.830 -0.986 1.00 0.00 C ATOM 791 NH1 ARG A 50 -1.996 4.748 -0.979 1.00 0.00 N ATOM 792 NH2 ARG A 50 0.047 4.016 -1.724 1.00 0.00 N ATOM 0 H ARG A 50 -3.206 1.025 3.843 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.967 -0.379 3.424 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.332 2.611 2.980 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.103 1.633 2.204 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.703 0.419 0.928 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.036 0.938 1.940 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.193 2.239 -0.052 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.572 3.324 1.176 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.414 2.041 -0.286 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.833 4.608 -0.413 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.895 5.594 -1.539 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.785 3.311 -1.732 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.145 4.863 -2.283 1.00 0.00 H new ATOM 806 N LEU A 51 -0.297 2.014 5.595 1.00 0.00 N ATOM 807 CA LEU A 51 0.669 2.454 6.595 1.00 0.00 C ATOM 808 C LEU A 51 1.162 1.277 7.430 1.00 0.00 C ATOM 809 O LEU A 51 2.367 1.071 7.582 1.00 0.00 O ATOM 810 CB LEU A 51 0.045 3.514 7.504 1.00 0.00 C ATOM 811 CG LEU A 51 -0.450 4.785 6.813 1.00 0.00 C ATOM 812 CD1 LEU A 51 -1.118 5.712 7.815 1.00 0.00 C ATOM 813 CD2 LEU A 51 0.701 5.493 6.113 1.00 0.00 C ATOM 0 H LEU A 51 -1.158 2.560 5.573 1.00 0.00 H new ATOM 0 HA LEU A 51 1.522 2.888 6.074 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.794 3.062 8.033 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.781 3.797 8.257 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.188 4.504 6.062 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.464 6.611 7.305 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.968 5.204 8.270 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.402 5.987 8.590 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.331 6.395 5.626 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.462 5.762 6.845 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.135 4.830 5.365 1.00 0.00 H new ATOM 825 N LEU A 52 0.224 0.506 7.968 1.00 0.00 N ATOM 826 CA LEU A 52 0.563 -0.653 8.787 1.00 0.00 C ATOM 827 C LEU A 52 0.994 -1.828 7.915 1.00 0.00 C ATOM 828 O LEU A 52 2.026 -2.453 8.163 1.00 0.00 O ATOM 829 CB LEU A 52 -0.632 -1.057 9.652 1.00 0.00 C ATOM 830 CG LEU A 52 -1.289 0.065 10.456 1.00 0.00 C ATOM 831 CD1 LEU A 52 -2.384 0.735 9.640 1.00 0.00 C ATOM 832 CD2 LEU A 52 -1.851 -0.473 11.764 1.00 0.00 C ATOM 0 H LEU A 52 -0.777 0.662 7.852 1.00 0.00 H new ATOM 0 HA LEU A 52 1.396 -0.379 9.434 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.388 -1.504 9.006 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.307 -1.832 10.346 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.529 0.811 10.690 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.841 1.531 10.228 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.954 1.156 8.731 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.143 -0.001 9.375 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.315 0.340 12.323 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.597 -1.239 11.552 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.045 -0.906 12.356 1.00 0.00 H new ATOM 844 N CYS A 53 0.199 -2.122 6.892 1.00 0.00 N ATOM 845 CA CYS A 53 0.499 -3.221 5.981 1.00 0.00 C ATOM 846 C CYS A 53 2.006 -3.396 5.818 1.00 0.00 C ATOM 847 O CYS A 53 2.744 -2.441 5.576 1.00 0.00 O ATOM 848 CB CYS A 53 -0.148 -2.971 4.617 1.00 0.00 C ATOM 849 SG CYS A 53 0.150 -4.293 3.400 1.00 0.00 S ATOM 0 H CYS A 53 -0.658 -1.615 6.673 1.00 0.00 H new ATOM 0 HA CYS A 53 0.089 -4.137 6.407 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -1.223 -2.852 4.753 1.00 0.00 H new ATOM 0 HB3 CYS A 53 0.228 -2.030 4.215 1.00 0.00 H new ATOM 854 N PRO A 54 2.474 -4.646 5.951 1.00 0.00 N ATOM 855 CA PRO A 54 3.896 -4.976 5.822 1.00 0.00 C ATOM 856 C PRO A 54 4.395 -4.839 4.387 1.00 0.00 C ATOM 857 O PRO A 54 5.542 -4.457 4.152 1.00 0.00 O ATOM 858 CB PRO A 54 3.964 -6.438 6.273 1.00 0.00 C ATOM 859 CG PRO A 54 2.600 -6.977 6.013 1.00 0.00 C ATOM 860 CD PRO A 54 1.651 -5.833 6.239 1.00 0.00 C ATOM 0 HA PRO A 54 4.524 -4.305 6.408 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.721 -6.990 5.715 1.00 0.00 H new ATOM 0 HB3 PRO A 54 4.226 -6.515 7.328 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.518 -7.356 4.994 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.375 -7.808 6.681 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.786 -5.892 5.579 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.272 -5.821 7.261 1.00 0.00 H new ATOM 868 N PHE A 55 3.526 -5.151 3.431 1.00 0.00 N ATOM 869 CA PHE A 55 3.879 -5.062 2.019 1.00 0.00 C ATOM 870 C PHE A 55 4.160 -3.617 1.618 1.00 0.00 C ATOM 871 O PHE A 55 5.086 -3.343 0.856 1.00 0.00 O ATOM 872 CB PHE A 55 2.754 -5.634 1.154 1.00 0.00 C ATOM 873 CG PHE A 55 2.867 -7.114 0.925 1.00 0.00 C ATOM 874 CD1 PHE A 55 2.785 -8.000 1.986 1.00 0.00 C ATOM 875 CD2 PHE A 55 3.054 -7.618 -0.352 1.00 0.00 C ATOM 876 CE1 PHE A 55 2.889 -9.363 1.778 1.00 0.00 C ATOM 877 CE2 PHE A 55 3.159 -8.980 -0.566 1.00 0.00 C ATOM 878 CZ PHE A 55 3.075 -9.853 0.500 1.00 0.00 C ATOM 0 H PHE A 55 2.573 -5.468 3.608 1.00 0.00 H new ATOM 0 HA PHE A 55 4.785 -5.647 1.859 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.797 -5.420 1.629 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.753 -5.124 0.190 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.638 -7.622 2.987 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.118 -6.939 -1.190 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.825 -10.044 2.614 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.307 -9.360 -1.566 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.155 -10.917 0.335 1.00 0.00 H new ATOM 888 N GLU A 56 3.353 -2.697 2.138 1.00 0.00 N ATOM 889 CA GLU A 56 3.514 -1.280 1.833 1.00 0.00 C ATOM 890 C GLU A 56 4.991 -0.905 1.758 1.00 0.00 C ATOM 891 O GLU A 56 5.788 -1.304 2.606 1.00 0.00 O ATOM 892 CB GLU A 56 2.813 -0.426 2.891 1.00 0.00 C ATOM 893 CG GLU A 56 2.654 1.031 2.489 1.00 0.00 C ATOM 894 CD GLU A 56 3.982 1.755 2.386 1.00 0.00 C ATOM 895 OE1 GLU A 56 4.737 1.757 3.380 1.00 0.00 O ATOM 896 OE2 GLU A 56 4.266 2.321 1.309 1.00 0.00 O ATOM 0 H GLU A 56 2.582 -2.907 2.772 1.00 0.00 H new ATOM 0 HA GLU A 56 3.058 -1.089 0.861 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.829 -0.848 3.093 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.379 -0.478 3.821 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.139 1.085 1.530 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.023 1.539 3.219 1.00 0.00 H new ATOM 903 N ARG A 57 5.348 -0.134 0.735 1.00 0.00 N ATOM 904 CA ARG A 57 6.728 0.294 0.546 1.00 0.00 C ATOM 905 C ARG A 57 7.175 1.205 1.686 1.00 0.00 C ATOM 906 O ARG A 57 6.586 2.260 1.919 1.00 0.00 O ATOM 907 CB ARG A 57 6.881 1.021 -0.791 1.00 0.00 C ATOM 908 CG ARG A 57 8.295 1.511 -1.060 1.00 0.00 C ATOM 909 CD ARG A 57 9.172 0.401 -1.618 1.00 0.00 C ATOM 910 NE ARG A 57 8.724 -0.039 -2.937 1.00 0.00 N ATOM 911 CZ ARG A 57 7.885 -1.051 -3.129 1.00 0.00 C ATOM 912 NH1 ARG A 57 7.404 -1.723 -2.092 1.00 0.00 N ATOM 913 NH2 ARG A 57 7.525 -1.391 -4.360 1.00 0.00 N ATOM 0 H ARG A 57 4.700 0.207 0.025 1.00 0.00 H new ATOM 0 HA ARG A 57 7.360 -0.594 0.543 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.578 0.351 -1.596 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.200 1.872 -0.812 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.265 2.342 -1.765 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.731 1.892 -0.136 1.00 0.00 H new ATOM 0 HD2 ARG A 57 10.202 0.751 -1.683 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.166 -0.446 -0.932 1.00 0.00 H new ATOM 0 HE ARG A 57 9.075 0.458 -3.756 1.00 0.00 H new ATOM 0 HH11 ARG A 57 7.678 -1.463 -1.144 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.760 -2.500 -2.242 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.892 -0.875 -5.160 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.881 -2.168 -4.507 1.00 0.00 H new ATOM 927 N VAL A 58 8.221 0.788 2.394 1.00 0.00 N ATOM 928 CA VAL A 58 8.748 1.566 3.509 1.00 0.00 C ATOM 929 C VAL A 58 10.264 1.699 3.419 1.00 0.00 C ATOM 930 O VAL A 58 10.964 0.800 2.953 1.00 0.00 O ATOM 931 CB VAL A 58 8.379 0.928 4.862 1.00 0.00 C ATOM 932 CG1 VAL A 58 6.880 0.683 4.946 1.00 0.00 C ATOM 933 CG2 VAL A 58 9.152 -0.366 5.069 1.00 0.00 C ATOM 0 H VAL A 58 8.719 -0.084 2.215 1.00 0.00 H new ATOM 0 HA VAL A 58 8.295 2.556 3.446 1.00 0.00 H new ATOM 0 HB VAL A 58 8.655 1.620 5.658 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.638 0.232 5.908 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.350 1.630 4.846 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.576 0.011 4.144 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.879 -0.803 6.029 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.910 -1.066 4.270 1.00 0.00 H new ATOM 0 HG23 VAL A 58 10.222 -0.157 5.056 1.00 0.00 H new ATOM 943 N PRO A 59 10.785 2.848 3.875 1.00 0.00 N ATOM 944 CA PRO A 59 12.224 3.126 3.857 1.00 0.00 C ATOM 945 C PRO A 59 12.993 2.267 4.855 1.00 0.00 C ATOM 946 O PRO A 59 12.487 1.943 5.931 1.00 0.00 O ATOM 947 CB PRO A 59 12.305 4.603 4.250 1.00 0.00 C ATOM 948 CG PRO A 59 11.065 4.854 5.038 1.00 0.00 C ATOM 949 CD PRO A 59 10.010 3.963 4.444 1.00 0.00 C ATOM 0 HA PRO A 59 12.670 2.903 2.888 1.00 0.00 H new ATOM 0 HB2 PRO A 59 13.198 4.807 4.841 1.00 0.00 H new ATOM 0 HB3 PRO A 59 12.352 5.245 3.370 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.220 4.626 6.093 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.770 5.902 4.978 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.304 3.617 5.199 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.431 4.481 3.680 1.00 0.00 H new ATOM 957 N CYS A 60 14.218 1.900 4.493 1.00 0.00 N ATOM 958 CA CYS A 60 15.057 1.079 5.357 1.00 0.00 C ATOM 959 C CYS A 60 14.970 1.548 6.806 1.00 0.00 C ATOM 960 O CYS A 60 15.008 2.747 7.086 1.00 0.00 O ATOM 961 CB CYS A 60 16.511 1.122 4.881 1.00 0.00 C ATOM 962 SG CYS A 60 17.696 0.372 6.044 1.00 0.00 S ATOM 0 H CYS A 60 14.652 2.159 3.607 1.00 0.00 H new ATOM 0 HA CYS A 60 14.695 0.052 5.304 1.00 0.00 H new ATOM 0 HB2 CYS A 60 16.584 0.608 3.923 1.00 0.00 H new ATOM 0 HB3 CYS A 60 16.795 2.160 4.708 1.00 0.00 H new ATOM 967 N LEU A 61 14.854 0.595 7.725 1.00 0.00 N ATOM 968 CA LEU A 61 14.763 0.910 9.146 1.00 0.00 C ATOM 969 C LEU A 61 15.752 2.007 9.526 1.00 0.00 C ATOM 970 O LEU A 61 15.407 2.947 10.240 1.00 0.00 O ATOM 971 CB LEU A 61 15.026 -0.343 9.984 1.00 0.00 C ATOM 972 CG LEU A 61 13.805 -1.207 10.302 1.00 0.00 C ATOM 973 CD1 LEU A 61 14.225 -2.480 11.021 1.00 0.00 C ATOM 974 CD2 LEU A 61 12.803 -0.426 11.139 1.00 0.00 C ATOM 0 H LEU A 61 14.821 -0.402 7.511 1.00 0.00 H new ATOM 0 HA LEU A 61 13.755 1.270 9.349 1.00 0.00 H new ATOM 0 HB2 LEU A 61 15.756 -0.960 9.459 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.484 -0.037 10.924 1.00 0.00 H new ATOM 0 HG LEU A 61 13.326 -1.485 9.363 1.00 0.00 H new ATOM 0 HD11 LEU A 61 13.343 -3.082 11.239 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.905 -3.049 10.387 1.00 0.00 H new ATOM 0 HD13 LEU A 61 14.728 -2.222 11.953 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.941 -1.056 11.356 1.00 0.00 H new ATOM 0 HD22 LEU A 61 13.272 -0.118 12.074 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.478 0.456 10.588 1.00 0.00 H new ATOM 986 N ASN A 62 16.983 1.880 9.042 1.00 0.00 N ATOM 987 CA ASN A 62 18.022 2.862 9.329 1.00 0.00 C ATOM 988 C ASN A 62 18.002 3.991 8.304 1.00 0.00 C ATOM 989 O ASN A 62 19.047 4.527 7.934 1.00 0.00 O ATOM 990 CB ASN A 62 19.398 2.192 9.339 1.00 0.00 C ATOM 991 CG ASN A 62 19.565 1.198 8.206 1.00 0.00 C ATOM 992 OD1 ASN A 62 19.995 1.557 7.109 1.00 0.00 O ATOM 993 ND2 ASN A 62 19.224 -0.059 8.466 1.00 0.00 N ATOM 0 H ASN A 62 17.285 1.107 8.449 1.00 0.00 H new ATOM 0 HA ASN A 62 17.824 3.285 10.314 1.00 0.00 H new ATOM 0 HB2 ASN A 62 20.172 2.956 9.265 1.00 0.00 H new ATOM 0 HB3 ASN A 62 19.544 1.682 10.291 1.00 0.00 H new ATOM 0 HD21 ASN A 62 19.314 -0.772 7.742 1.00 0.00 H new ATOM 0 HD22 ASN A 62 18.872 -0.311 9.390 1.00 0.00 H new ATOM 1000 N SER A 63 16.806 4.349 7.849 1.00 0.00 N ATOM 1001 CA SER A 63 16.649 5.413 6.864 1.00 0.00 C ATOM 1002 C SER A 63 17.229 6.724 7.384 1.00 0.00 C ATOM 1003 O SER A 63 17.954 7.420 6.672 1.00 0.00 O ATOM 1004 CB SER A 63 15.171 5.599 6.514 1.00 0.00 C ATOM 1005 OG SER A 63 14.985 6.717 5.664 1.00 0.00 O ATOM 0 H SER A 63 15.931 3.918 8.147 1.00 0.00 H new ATOM 0 HA SER A 63 17.194 5.126 5.965 1.00 0.00 H new ATOM 0 HB2 SER A 63 14.794 4.700 6.026 1.00 0.00 H new ATOM 0 HB3 SER A 63 14.592 5.732 7.428 1.00 0.00 H new ATOM 0 HG SER A 63 14.033 6.813 5.454 1.00 0.00 H new ATOM 1011 N ASP A 64 16.905 7.055 8.629 1.00 0.00 N ATOM 1012 CA ASP A 64 17.394 8.282 9.246 1.00 0.00 C ATOM 1013 C ASP A 64 18.871 8.497 8.932 1.00 0.00 C ATOM 1014 O ASP A 64 19.308 9.623 8.691 1.00 0.00 O ATOM 1015 CB ASP A 64 17.183 8.236 10.760 1.00 0.00 C ATOM 1016 CG ASP A 64 17.220 6.822 11.307 1.00 0.00 C ATOM 1017 OD1 ASP A 64 17.823 5.948 10.650 1.00 0.00 O ATOM 1018 OD2 ASP A 64 16.645 6.590 12.391 1.00 0.00 O ATOM 0 H ASP A 64 16.306 6.490 9.231 1.00 0.00 H new ATOM 0 HA ASP A 64 16.828 9.117 8.833 1.00 0.00 H new ATOM 0 HB2 ASP A 64 17.953 8.832 11.250 1.00 0.00 H new ATOM 0 HB3 ASP A 64 16.224 8.692 11.004 1.00 0.00 H new ATOM 1023 N PHE A 65 19.636 7.411 8.938 1.00 0.00 N ATOM 1024 CA PHE A 65 21.065 7.480 8.656 1.00 0.00 C ATOM 1025 C PHE A 65 21.316 8.002 7.244 1.00 0.00 C ATOM 1026 O PHE A 65 22.253 8.763 7.009 1.00 0.00 O ATOM 1027 CB PHE A 65 21.708 6.102 8.825 1.00 0.00 C ATOM 1028 CG PHE A 65 21.996 5.746 10.255 1.00 0.00 C ATOM 1029 CD1 PHE A 65 20.996 5.804 11.212 1.00 0.00 C ATOM 1030 CD2 PHE A 65 23.267 5.353 10.642 1.00 0.00 C ATOM 1031 CE1 PHE A 65 21.258 5.477 12.529 1.00 0.00 C ATOM 1032 CE2 PHE A 65 23.535 5.024 11.958 1.00 0.00 C ATOM 1033 CZ PHE A 65 22.529 5.087 12.903 1.00 0.00 C ATOM 0 H PHE A 65 19.290 6.472 9.135 1.00 0.00 H new ATOM 0 HA PHE A 65 21.517 8.173 9.366 1.00 0.00 H new ATOM 0 HB2 PHE A 65 21.048 5.347 8.397 1.00 0.00 H new ATOM 0 HB3 PHE A 65 22.638 6.072 8.257 1.00 0.00 H new ATOM 0 HD1 PHE A 65 20.000 6.108 10.926 1.00 0.00 H new ATOM 0 HD2 PHE A 65 24.057 5.303 9.908 1.00 0.00 H new ATOM 0 HE1 PHE A 65 20.469 5.526 13.265 1.00 0.00 H new ATOM 0 HE2 PHE A 65 24.530 4.718 12.247 1.00 0.00 H new ATOM 0 HZ PHE A 65 22.736 4.832 13.932 1.00 0.00 H new ATOM 1043 N GLY A 66 20.471 7.584 6.306 1.00 0.00 N ATOM 1044 CA GLY A 66 20.617 8.017 4.929 1.00 0.00 C ATOM 1045 C GLY A 66 20.601 6.859 3.952 1.00 0.00 C ATOM 1046 O GLY A 66 21.316 6.873 2.949 1.00 0.00 O ATOM 0 H GLY A 66 19.688 6.953 6.476 1.00 0.00 H new ATOM 0 HA2 GLY A 66 19.811 8.708 4.681 1.00 0.00 H new ATOM 0 HA3 GLY A 66 21.552 8.566 4.821 1.00 0.00 H new ATOM 1050 N CYS A 67 19.786 5.851 4.245 1.00 0.00 N ATOM 1051 CA CYS A 67 19.681 4.678 3.386 1.00 0.00 C ATOM 1052 C CYS A 67 18.544 4.839 2.381 1.00 0.00 C ATOM 1053 O CYS A 67 17.365 4.836 2.734 1.00 0.00 O ATOM 1054 CB CYS A 67 19.457 3.421 4.230 1.00 0.00 C ATOM 1055 SG CYS A 67 20.062 1.887 3.454 1.00 0.00 S ATOM 0 H CYS A 67 19.189 5.823 5.071 1.00 0.00 H new ATOM 0 HA CYS A 67 20.616 4.576 2.836 1.00 0.00 H new ATOM 0 HB2 CYS A 67 19.953 3.549 5.192 1.00 0.00 H new ATOM 0 HB3 CYS A 67 18.391 3.317 4.432 1.00 0.00 H new ATOM 1060 N PRO A 68 18.905 4.983 1.097 1.00 0.00 N ATOM 1061 CA PRO A 68 17.931 5.147 0.015 1.00 0.00 C ATOM 1062 C PRO A 68 17.138 3.872 -0.250 1.00 0.00 C ATOM 1063 O PRO A 68 16.076 3.907 -0.872 1.00 0.00 O ATOM 1064 CB PRO A 68 18.801 5.496 -1.196 1.00 0.00 C ATOM 1065 CG PRO A 68 20.133 4.903 -0.888 1.00 0.00 C ATOM 1066 CD PRO A 68 20.293 4.996 0.604 1.00 0.00 C ATOM 0 HA PRO A 68 17.183 5.903 0.252 1.00 0.00 H new ATOM 0 HB2 PRO A 68 18.386 5.081 -2.115 1.00 0.00 H new ATOM 0 HB3 PRO A 68 18.871 6.575 -1.336 1.00 0.00 H new ATOM 0 HG2 PRO A 68 20.185 3.867 -1.222 1.00 0.00 H new ATOM 0 HG3 PRO A 68 20.929 5.444 -1.400 1.00 0.00 H new ATOM 0 HD2 PRO A 68 20.868 4.159 1.000 1.00 0.00 H new ATOM 0 HD3 PRO A 68 20.815 5.907 0.896 1.00 0.00 H new ATOM 1074 N PHE A 69 17.659 2.746 0.227 1.00 0.00 N ATOM 1075 CA PHE A 69 16.999 1.459 0.042 1.00 0.00 C ATOM 1076 C PHE A 69 15.555 1.514 0.529 1.00 0.00 C ATOM 1077 O PHE A 69 15.280 1.950 1.648 1.00 0.00 O ATOM 1078 CB PHE A 69 17.760 0.360 0.786 1.00 0.00 C ATOM 1079 CG PHE A 69 18.999 -0.100 0.073 1.00 0.00 C ATOM 1080 CD1 PHE A 69 20.195 0.584 0.222 1.00 0.00 C ATOM 1081 CD2 PHE A 69 18.967 -1.217 -0.747 1.00 0.00 C ATOM 1082 CE1 PHE A 69 21.337 0.162 -0.433 1.00 0.00 C ATOM 1083 CE2 PHE A 69 20.106 -1.643 -1.404 1.00 0.00 C ATOM 1084 CZ PHE A 69 21.292 -0.952 -1.248 1.00 0.00 C ATOM 0 H PHE A 69 18.537 2.699 0.745 1.00 0.00 H new ATOM 0 HA PHE A 69 16.995 1.230 -1.024 1.00 0.00 H new ATOM 0 HB2 PHE A 69 18.035 0.726 1.775 1.00 0.00 H new ATOM 0 HB3 PHE A 69 17.098 -0.493 0.934 1.00 0.00 H new ATOM 0 HD1 PHE A 69 20.235 1.457 0.857 1.00 0.00 H new ATOM 0 HD2 PHE A 69 18.042 -1.760 -0.874 1.00 0.00 H new ATOM 0 HE1 PHE A 69 22.263 0.703 -0.307 1.00 0.00 H new ATOM 0 HE2 PHE A 69 20.069 -2.516 -2.039 1.00 0.00 H new ATOM 0 HZ PHE A 69 22.182 -1.282 -1.762 1.00 0.00 H new ATOM 1094 N THR A 70 14.633 1.067 -0.318 1.00 0.00 N ATOM 1095 CA THR A 70 13.216 1.066 0.024 1.00 0.00 C ATOM 1096 C THR A 70 12.556 -0.249 -0.373 1.00 0.00 C ATOM 1097 O THR A 70 12.678 -0.697 -1.512 1.00 0.00 O ATOM 1098 CB THR A 70 12.472 2.228 -0.660 1.00 0.00 C ATOM 1099 OG1 THR A 70 12.831 2.292 -2.045 1.00 0.00 O ATOM 1100 CG2 THR A 70 12.797 3.552 0.015 1.00 0.00 C ATOM 0 H THR A 70 14.843 0.701 -1.247 1.00 0.00 H new ATOM 0 HA THR A 70 13.152 1.190 1.105 1.00 0.00 H new ATOM 0 HB THR A 70 11.401 2.047 -0.570 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.781 1.396 -2.438 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.260 4.357 -0.486 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.495 3.511 1.062 1.00 0.00 H new ATOM 0 HG23 THR A 70 13.869 3.738 -0.046 1.00 0.00 H new ATOM 1108 N MET A 71 11.855 -0.863 0.575 1.00 0.00 N ATOM 1109 CA MET A 71 11.173 -2.128 0.323 1.00 0.00 C ATOM 1110 C MET A 71 10.096 -2.384 1.372 1.00 0.00 C ATOM 1111 O MET A 71 9.923 -1.596 2.302 1.00 0.00 O ATOM 1112 CB MET A 71 12.178 -3.281 0.314 1.00 0.00 C ATOM 1113 CG MET A 71 13.106 -3.287 1.519 1.00 0.00 C ATOM 1114 SD MET A 71 14.612 -2.336 1.241 1.00 0.00 S ATOM 1115 CE MET A 71 14.484 -1.113 2.543 1.00 0.00 C ATOM 0 H MET A 71 11.744 -0.506 1.524 1.00 0.00 H new ATOM 0 HA MET A 71 10.695 -2.065 -0.654 1.00 0.00 H new ATOM 0 HB2 MET A 71 11.635 -4.225 0.279 1.00 0.00 H new ATOM 0 HB3 MET A 71 12.777 -3.224 -0.595 1.00 0.00 H new ATOM 0 HG2 MET A 71 12.578 -2.880 2.381 1.00 0.00 H new ATOM 0 HG3 MET A 71 13.371 -4.316 1.764 1.00 0.00 H new ATOM 0 HE1 MET A 71 15.220 -0.327 2.377 1.00 0.00 H new ATOM 0 HE2 MET A 71 13.484 -0.680 2.539 1.00 0.00 H new ATOM 0 HE3 MET A 71 14.670 -1.587 3.507 1.00 0.00 H new ATOM 1125 N ALA A 72 9.376 -3.489 1.217 1.00 0.00 N ATOM 1126 CA ALA A 72 8.318 -3.849 2.152 1.00 0.00 C ATOM 1127 C ALA A 72 8.883 -4.127 3.541 1.00 0.00 C ATOM 1128 O ALA A 72 10.002 -4.622 3.678 1.00 0.00 O ATOM 1129 CB ALA A 72 7.551 -5.060 1.641 1.00 0.00 C ATOM 0 H ALA A 72 9.506 -4.151 0.452 1.00 0.00 H new ATOM 0 HA ALA A 72 7.633 -3.004 2.229 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.764 -5.318 2.350 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.106 -4.827 0.673 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.233 -5.904 1.534 1.00 0.00 H new ATOM 1135 N ARG A 73 8.103 -3.804 4.568 1.00 0.00 N ATOM 1136 CA ARG A 73 8.528 -4.017 5.946 1.00 0.00 C ATOM 1137 C ARG A 73 8.954 -5.466 6.166 1.00 0.00 C ATOM 1138 O ARG A 73 9.935 -5.736 6.858 1.00 0.00 O ATOM 1139 CB ARG A 73 7.398 -3.655 6.912 1.00 0.00 C ATOM 1140 CG ARG A 73 7.211 -2.157 7.095 1.00 0.00 C ATOM 1141 CD ARG A 73 8.077 -1.621 8.224 1.00 0.00 C ATOM 1142 NE ARG A 73 7.572 -2.016 9.536 1.00 0.00 N ATOM 1143 CZ ARG A 73 7.925 -1.420 10.670 1.00 0.00 C ATOM 1144 NH1 ARG A 73 8.780 -0.407 10.651 1.00 0.00 N ATOM 1145 NH2 ARG A 73 7.422 -1.837 11.825 1.00 0.00 N ATOM 0 H ARG A 73 7.174 -3.394 4.471 1.00 0.00 H new ATOM 0 HA ARG A 73 9.384 -3.371 6.140 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.466 -4.087 6.547 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.601 -4.109 7.882 1.00 0.00 H new ATOM 0 HG2 ARG A 73 7.461 -1.642 6.167 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.163 -1.943 7.306 1.00 0.00 H new ATOM 0 HD2 ARG A 73 9.097 -1.986 8.103 1.00 0.00 H new ATOM 0 HD3 ARG A 73 8.119 -0.533 8.164 1.00 0.00 H new ATOM 0 HE ARG A 73 6.912 -2.792 9.585 1.00 0.00 H new ATOM 0 HH11 ARG A 73 9.168 -0.084 9.765 1.00 0.00 H new ATOM 0 HH12 ARG A 73 9.050 0.049 11.523 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.764 -2.616 11.843 1.00 0.00 H new ATOM 0 HH22 ARG A 73 7.694 -1.379 12.695 1.00 0.00 H new ATOM 1159 N ASN A 74 8.211 -6.393 5.571 1.00 0.00 N ATOM 1160 CA ASN A 74 8.511 -7.814 5.703 1.00 0.00 C ATOM 1161 C ASN A 74 9.660 -8.214 4.783 1.00 0.00 C ATOM 1162 O ASN A 74 9.951 -9.399 4.613 1.00 0.00 O ATOM 1163 CB ASN A 74 7.271 -8.650 5.382 1.00 0.00 C ATOM 1164 CG ASN A 74 7.461 -10.118 5.715 1.00 0.00 C ATOM 1165 OD1 ASN A 74 8.521 -10.526 6.189 1.00 0.00 O ATOM 1166 ND2 ASN A 74 6.431 -10.918 5.468 1.00 0.00 N ATOM 0 H ASN A 74 7.397 -6.186 4.993 1.00 0.00 H new ATOM 0 HA ASN A 74 8.811 -8.003 6.734 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.419 -8.261 5.940 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.032 -8.548 4.323 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.499 -11.915 5.672 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.571 -10.536 5.074 1.00 0.00 H new ATOM 1173 N LYS A 75 10.311 -7.219 4.191 1.00 0.00 N ATOM 1174 CA LYS A 75 11.431 -7.465 3.289 1.00 0.00 C ATOM 1175 C LYS A 75 12.684 -6.738 3.766 1.00 0.00 C ATOM 1176 O LYS A 75 13.802 -7.212 3.568 1.00 0.00 O ATOM 1177 CB LYS A 75 11.077 -7.017 1.870 1.00 0.00 C ATOM 1178 CG LYS A 75 9.888 -7.754 1.278 1.00 0.00 C ATOM 1179 CD LYS A 75 10.228 -9.202 0.967 1.00 0.00 C ATOM 1180 CE LYS A 75 10.886 -9.339 -0.398 1.00 0.00 C ATOM 1181 NZ LYS A 75 12.365 -9.187 -0.317 1.00 0.00 N ATOM 0 H LYS A 75 10.082 -6.233 4.319 1.00 0.00 H new ATOM 0 HA LYS A 75 11.634 -8.536 3.285 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.864 -5.948 1.878 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.943 -7.164 1.225 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.052 -7.718 1.976 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.564 -7.251 0.367 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.895 -9.593 1.735 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.320 -9.805 0.997 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.644 -10.313 -0.822 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.480 -8.587 -1.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.626 -8.205 -0.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.686 -9.421 0.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.818 -9.829 -0.999 1.00 0.00 H new ATOM 1195 N VAL A 76 12.489 -5.584 4.396 1.00 0.00 N ATOM 1196 CA VAL A 76 13.603 -4.792 4.904 1.00 0.00 C ATOM 1197 C VAL A 76 14.718 -5.688 5.433 1.00 0.00 C ATOM 1198 O VAL A 76 15.881 -5.532 5.064 1.00 0.00 O ATOM 1199 CB VAL A 76 13.150 -3.839 6.025 1.00 0.00 C ATOM 1200 CG1 VAL A 76 14.344 -3.362 6.837 1.00 0.00 C ATOM 1201 CG2 VAL A 76 12.385 -2.659 5.444 1.00 0.00 C ATOM 0 H VAL A 76 11.570 -5.177 4.567 1.00 0.00 H new ATOM 0 HA VAL A 76 13.980 -4.203 4.068 1.00 0.00 H new ATOM 0 HB VAL A 76 12.482 -4.384 6.692 1.00 0.00 H new ATOM 0 HG11 VAL A 76 14.003 -2.690 7.624 1.00 0.00 H new ATOM 0 HG12 VAL A 76 14.846 -4.220 7.285 1.00 0.00 H new ATOM 0 HG13 VAL A 76 15.040 -2.834 6.185 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.072 -1.996 6.250 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.028 -2.113 4.754 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.506 -3.022 4.911 1.00 0.00 H new ATOM 1211 N ALA A 77 14.353 -6.627 6.299 1.00 0.00 N ATOM 1212 CA ALA A 77 15.322 -7.550 6.878 1.00 0.00 C ATOM 1213 C ALA A 77 16.301 -8.052 5.821 1.00 0.00 C ATOM 1214 O ALA A 77 17.494 -7.756 5.878 1.00 0.00 O ATOM 1215 CB ALA A 77 14.607 -8.721 7.536 1.00 0.00 C ATOM 0 H ALA A 77 13.394 -6.769 6.615 1.00 0.00 H new ATOM 0 HA ALA A 77 15.891 -7.013 7.637 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.342 -9.402 7.964 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.953 -8.351 8.325 1.00 0.00 H new ATOM 0 HB3 ALA A 77 14.013 -9.250 6.791 1.00 0.00 H new ATOM 1221 N GLU A 78 15.788 -8.812 4.860 1.00 0.00 N ATOM 1222 CA GLU A 78 16.619 -9.356 3.792 1.00 0.00 C ATOM 1223 C GLU A 78 17.667 -8.340 3.347 1.00 0.00 C ATOM 1224 O GLU A 78 18.754 -8.707 2.902 1.00 0.00 O ATOM 1225 CB GLU A 78 15.752 -9.766 2.599 1.00 0.00 C ATOM 1226 CG GLU A 78 16.360 -10.875 1.757 1.00 0.00 C ATOM 1227 CD GLU A 78 17.407 -10.364 0.787 1.00 0.00 C ATOM 1228 OE1 GLU A 78 17.177 -9.302 0.171 1.00 0.00 O ATOM 1229 OE2 GLU A 78 18.456 -11.026 0.644 1.00 0.00 O ATOM 0 H GLU A 78 14.802 -9.065 4.798 1.00 0.00 H new ATOM 0 HA GLU A 78 17.132 -10.236 4.179 1.00 0.00 H new ATOM 0 HB2 GLU A 78 14.777 -10.091 2.964 1.00 0.00 H new ATOM 0 HB3 GLU A 78 15.582 -8.894 1.968 1.00 0.00 H new ATOM 0 HG2 GLU A 78 16.811 -11.619 2.414 1.00 0.00 H new ATOM 0 HG3 GLU A 78 15.569 -11.378 1.200 1.00 0.00 H new ATOM 1236 N HIS A 79 17.331 -7.060 3.471 1.00 0.00 N ATOM 1237 CA HIS A 79 18.243 -5.989 3.082 1.00 0.00 C ATOM 1238 C HIS A 79 19.123 -5.572 4.257 1.00 0.00 C ATOM 1239 O HIS A 79 20.296 -5.240 4.080 1.00 0.00 O ATOM 1240 CB HIS A 79 17.457 -4.784 2.565 1.00 0.00 C ATOM 1241 CG HIS A 79 18.175 -3.481 2.740 1.00 0.00 C ATOM 1242 ND1 HIS A 79 19.170 -3.050 1.888 1.00 0.00 N ATOM 1243 CD2 HIS A 79 18.036 -2.512 3.675 1.00 0.00 C ATOM 1244 CE1 HIS A 79 19.613 -1.873 2.292 1.00 0.00 C ATOM 1245 NE2 HIS A 79 18.941 -1.524 3.374 1.00 0.00 N ATOM 0 H HIS A 79 16.435 -6.739 3.837 1.00 0.00 H new ATOM 0 HA HIS A 79 18.885 -6.363 2.285 1.00 0.00 H new ATOM 0 HB2 HIS A 79 17.238 -4.930 1.507 1.00 0.00 H new ATOM 0 HB3 HIS A 79 16.500 -4.735 3.084 1.00 0.00 H new ATOM 0 HD1 HIS A 79 19.511 -3.560 1.073 1.00 0.00 H new ATOM 0 HD2 HIS A 79 17.343 -2.515 4.503 1.00 0.00 H new ATOM 0 HE1 HIS A 79 20.392 -1.294 1.818 1.00 0.00 H new ATOM 1253 N LEU A 80 18.549 -5.589 5.455 1.00 0.00 N ATOM 1254 CA LEU A 80 19.281 -5.212 6.659 1.00 0.00 C ATOM 1255 C LEU A 80 20.619 -5.941 6.734 1.00 0.00 C ATOM 1256 O LEU A 80 21.661 -5.324 6.953 1.00 0.00 O ATOM 1257 CB LEU A 80 18.448 -5.522 7.904 1.00 0.00 C ATOM 1258 CG LEU A 80 17.471 -4.432 8.346 1.00 0.00 C ATOM 1259 CD1 LEU A 80 16.589 -4.933 9.479 1.00 0.00 C ATOM 1260 CD2 LEU A 80 18.225 -3.179 8.769 1.00 0.00 C ATOM 0 H LEU A 80 17.579 -5.860 5.618 1.00 0.00 H new ATOM 0 HA LEU A 80 19.474 -4.140 6.616 1.00 0.00 H new ATOM 0 HB2 LEU A 80 17.883 -6.436 7.720 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.129 -5.729 8.730 1.00 0.00 H new ATOM 0 HG LEU A 80 16.832 -4.179 7.500 1.00 0.00 H new ATOM 0 HD11 LEU A 80 15.900 -4.144 9.780 1.00 0.00 H new ATOM 0 HD12 LEU A 80 16.022 -5.801 9.142 1.00 0.00 H new ATOM 0 HD13 LEU A 80 17.212 -5.214 10.328 1.00 0.00 H new ATOM 0 HD21 LEU A 80 17.514 -2.414 9.080 1.00 0.00 H new ATOM 0 HD22 LEU A 80 18.889 -3.417 9.600 1.00 0.00 H new ATOM 0 HD23 LEU A 80 18.813 -2.808 7.930 1.00 0.00 H new ATOM 1272 N GLU A 81 20.581 -7.257 6.549 1.00 0.00 N ATOM 1273 CA GLU A 81 21.792 -8.069 6.595 1.00 0.00 C ATOM 1274 C GLU A 81 22.850 -7.522 5.641 1.00 0.00 C ATOM 1275 O GLU A 81 24.045 -7.571 5.929 1.00 0.00 O ATOM 1276 CB GLU A 81 21.471 -9.522 6.239 1.00 0.00 C ATOM 1277 CG GLU A 81 20.531 -9.666 5.055 1.00 0.00 C ATOM 1278 CD GLU A 81 20.613 -11.035 4.408 1.00 0.00 C ATOM 1279 OE1 GLU A 81 21.695 -11.382 3.889 1.00 0.00 O ATOM 1280 OE2 GLU A 81 19.596 -11.760 4.421 1.00 0.00 O ATOM 0 H GLU A 81 19.726 -7.783 6.366 1.00 0.00 H new ATOM 0 HA GLU A 81 22.188 -8.030 7.610 1.00 0.00 H new ATOM 0 HB2 GLU A 81 22.401 -10.047 6.020 1.00 0.00 H new ATOM 0 HB3 GLU A 81 21.026 -10.010 7.106 1.00 0.00 H new ATOM 0 HG2 GLU A 81 19.508 -9.485 5.384 1.00 0.00 H new ATOM 0 HG3 GLU A 81 20.767 -8.903 4.313 1.00 0.00 H new ATOM 1287 N MET A 82 22.400 -7.002 4.503 1.00 0.00 N ATOM 1288 CA MET A 82 23.308 -6.446 3.506 1.00 0.00 C ATOM 1289 C MET A 82 23.217 -4.924 3.478 1.00 0.00 C ATOM 1290 O MET A 82 23.707 -4.279 2.550 1.00 0.00 O ATOM 1291 CB MET A 82 22.990 -7.013 2.122 1.00 0.00 C ATOM 1292 CG MET A 82 21.639 -6.574 1.581 1.00 0.00 C ATOM 1293 SD MET A 82 21.587 -6.548 -0.221 1.00 0.00 S ATOM 1294 CE MET A 82 21.831 -4.803 -0.542 1.00 0.00 C ATOM 0 H MET A 82 21.413 -6.954 4.249 1.00 0.00 H new ATOM 0 HA MET A 82 24.325 -6.727 3.780 1.00 0.00 H new ATOM 0 HB2 MET A 82 23.769 -6.705 1.425 1.00 0.00 H new ATOM 0 HB3 MET A 82 23.017 -8.102 2.169 1.00 0.00 H new ATOM 0 HG2 MET A 82 20.867 -7.247 1.953 1.00 0.00 H new ATOM 0 HG3 MET A 82 21.405 -5.580 1.962 1.00 0.00 H new ATOM 0 HE1 MET A 82 22.208 -4.669 -1.556 1.00 0.00 H new ATOM 0 HE2 MET A 82 20.882 -4.277 -0.435 1.00 0.00 H new ATOM 0 HE3 MET A 82 22.551 -4.399 0.170 1.00 0.00 H new ATOM 1304 N CYS A 83 22.587 -4.354 4.500 1.00 0.00 N ATOM 1305 CA CYS A 83 22.430 -2.907 4.592 1.00 0.00 C ATOM 1306 C CYS A 83 23.712 -2.253 5.097 1.00 0.00 C ATOM 1307 O CYS A 83 24.341 -2.714 6.050 1.00 0.00 O ATOM 1308 CB CYS A 83 21.266 -2.557 5.520 1.00 0.00 C ATOM 1309 SG CYS A 83 21.176 -0.794 5.969 1.00 0.00 S ATOM 0 H CYS A 83 22.177 -4.873 5.277 1.00 0.00 H new ATOM 0 HA CYS A 83 22.217 -2.525 3.594 1.00 0.00 H new ATOM 0 HB2 CYS A 83 20.332 -2.846 5.038 1.00 0.00 H new ATOM 0 HB3 CYS A 83 21.351 -3.149 6.431 1.00 0.00 H new ATOM 1314 N PRO A 84 24.111 -1.151 4.445 1.00 0.00 N ATOM 1315 CA PRO A 84 25.321 -0.408 4.811 1.00 0.00 C ATOM 1316 C PRO A 84 25.176 0.315 6.145 1.00 0.00 C ATOM 1317 O PRO A 84 26.025 0.188 7.027 1.00 0.00 O ATOM 1318 CB PRO A 84 25.477 0.600 3.670 1.00 0.00 C ATOM 1319 CG PRO A 84 24.099 0.783 3.135 1.00 0.00 C ATOM 1320 CD PRO A 84 23.411 -0.544 3.300 1.00 0.00 C ATOM 0 HA PRO A 84 26.181 -1.066 4.937 1.00 0.00 H new ATOM 0 HB2 PRO A 84 25.891 1.543 4.028 1.00 0.00 H new ATOM 0 HB3 PRO A 84 26.154 0.226 2.901 1.00 0.00 H new ATOM 0 HG2 PRO A 84 23.571 1.567 3.678 1.00 0.00 H new ATOM 0 HG3 PRO A 84 24.124 1.082 2.087 1.00 0.00 H new ATOM 0 HD2 PRO A 84 22.346 -0.423 3.498 1.00 0.00 H new ATOM 0 HD3 PRO A 84 23.500 -1.157 2.403 1.00 0.00 H new ATOM 1328 N ALA A 85 24.094 1.074 6.287 1.00 0.00 N ATOM 1329 CA ALA A 85 23.837 1.816 7.515 1.00 0.00 C ATOM 1330 C ALA A 85 23.788 0.883 8.720 1.00 0.00 C ATOM 1331 O ALA A 85 24.053 1.297 9.849 1.00 0.00 O ATOM 1332 CB ALA A 85 22.536 2.597 7.397 1.00 0.00 C ATOM 0 H ALA A 85 23.381 1.191 5.567 1.00 0.00 H new ATOM 0 HA ALA A 85 24.657 2.518 7.665 1.00 0.00 H new ATOM 0 HB1 ALA A 85 22.356 3.146 8.321 1.00 0.00 H new ATOM 0 HB2 ALA A 85 22.607 3.298 6.566 1.00 0.00 H new ATOM 0 HB3 ALA A 85 21.712 1.906 7.220 1.00 0.00 H new ATOM 1338 N SER A 86 23.448 -0.378 8.473 1.00 0.00 N ATOM 1339 CA SER A 86 23.360 -1.369 9.539 1.00 0.00 C ATOM 1340 C SER A 86 24.749 -1.742 10.049 1.00 0.00 C ATOM 1341 O SER A 86 24.889 -2.390 11.087 1.00 0.00 O ATOM 1342 CB SER A 86 22.634 -2.621 9.043 1.00 0.00 C ATOM 1343 OG SER A 86 21.237 -2.520 9.261 1.00 0.00 O ATOM 0 H SER A 86 23.229 -0.738 7.544 1.00 0.00 H new ATOM 0 HA SER A 86 22.794 -0.932 10.362 1.00 0.00 H new ATOM 0 HB2 SER A 86 22.830 -2.762 7.980 1.00 0.00 H new ATOM 0 HB3 SER A 86 23.023 -3.499 9.558 1.00 0.00 H new ATOM 0 HG SER A 86 20.820 -2.059 8.503 1.00 0.00 H new ATOM 1349 N VAL A 87 25.774 -1.328 9.312 1.00 0.00 N ATOM 1350 CA VAL A 87 27.153 -1.617 9.689 1.00 0.00 C ATOM 1351 C VAL A 87 27.255 -2.951 10.419 1.00 0.00 C ATOM 1352 O VAL A 87 27.899 -3.051 11.463 1.00 0.00 O ATOM 1353 CB VAL A 87 27.734 -0.507 10.585 1.00 0.00 C ATOM 1354 CG1 VAL A 87 27.696 0.834 9.868 1.00 0.00 C ATOM 1355 CG2 VAL A 87 26.979 -0.438 11.903 1.00 0.00 C ATOM 0 H VAL A 87 25.676 -0.791 8.450 1.00 0.00 H new ATOM 0 HA VAL A 87 27.730 -1.667 8.766 1.00 0.00 H new ATOM 0 HB VAL A 87 28.775 -0.746 10.801 1.00 0.00 H new ATOM 0 HG11 VAL A 87 28.111 1.605 10.517 1.00 0.00 H new ATOM 0 HG12 VAL A 87 28.285 0.774 8.953 1.00 0.00 H new ATOM 0 HG13 VAL A 87 26.665 1.085 9.619 1.00 0.00 H new ATOM 0 HG21 VAL A 87 27.402 0.351 12.524 1.00 0.00 H new ATOM 0 HG22 VAL A 87 25.928 -0.223 11.709 1.00 0.00 H new ATOM 0 HG23 VAL A 87 27.065 -1.393 12.422 1.00 0.00 H new ATOM 1365 N SER A 88 26.615 -3.974 9.863 1.00 0.00 N ATOM 1366 CA SER A 88 26.631 -5.303 10.464 1.00 0.00 C ATOM 1367 C SER A 88 27.568 -6.233 9.700 1.00 0.00 C ATOM 1368 O SER A 88 27.301 -6.600 8.556 1.00 0.00 O ATOM 1369 CB SER A 88 25.219 -5.891 10.489 1.00 0.00 C ATOM 1370 OG SER A 88 25.160 -7.043 11.313 1.00 0.00 O ATOM 0 H SER A 88 26.079 -3.909 8.998 1.00 0.00 H new ATOM 0 HA SER A 88 26.996 -5.208 11.487 1.00 0.00 H new ATOM 0 HB2 SER A 88 24.516 -5.142 10.855 1.00 0.00 H new ATOM 0 HB3 SER A 88 24.911 -6.149 9.476 1.00 0.00 H new ATOM 0 HG SER A 88 24.247 -7.399 11.313 1.00 0.00 H new ATOM 1376 N GLY A 89 28.669 -6.612 10.342 1.00 0.00 N ATOM 1377 CA GLY A 89 29.630 -7.496 9.709 1.00 0.00 C ATOM 1378 C GLY A 89 30.790 -6.743 9.088 1.00 0.00 C ATOM 1379 O GLY A 89 30.635 -5.633 8.579 1.00 0.00 O ATOM 0 H GLY A 89 28.912 -6.322 11.289 1.00 0.00 H new ATOM 0 HA2 GLY A 89 30.012 -8.201 10.448 1.00 0.00 H new ATOM 0 HA3 GLY A 89 29.128 -8.082 8.939 1.00 0.00 H new ATOM 1383 N PRO A 90 31.985 -7.350 9.128 1.00 0.00 N ATOM 1384 CA PRO A 90 33.198 -6.747 8.570 1.00 0.00 C ATOM 1385 C PRO A 90 33.169 -6.688 7.046 1.00 0.00 C ATOM 1386 O PRO A 90 32.405 -7.407 6.403 1.00 0.00 O ATOM 1387 CB PRO A 90 34.312 -7.683 9.047 1.00 0.00 C ATOM 1388 CG PRO A 90 33.638 -8.995 9.260 1.00 0.00 C ATOM 1389 CD PRO A 90 32.243 -8.674 9.719 1.00 0.00 C ATOM 0 HA PRO A 90 33.323 -5.713 8.892 1.00 0.00 H new ATOM 0 HB2 PRO A 90 35.107 -7.762 8.306 1.00 0.00 H new ATOM 0 HB3 PRO A 90 34.769 -7.318 9.967 1.00 0.00 H new ATOM 0 HG2 PRO A 90 33.621 -9.579 8.340 1.00 0.00 H new ATOM 0 HG3 PRO A 90 34.167 -9.589 10.005 1.00 0.00 H new ATOM 0 HD2 PRO A 90 31.525 -9.416 9.371 1.00 0.00 H new ATOM 0 HD3 PRO A 90 32.174 -8.649 10.807 1.00 0.00 H new ATOM 1397 N SER A 91 34.006 -5.828 6.476 1.00 0.00 N ATOM 1398 CA SER A 91 34.074 -5.673 5.027 1.00 0.00 C ATOM 1399 C SER A 91 35.464 -6.024 4.507 1.00 0.00 C ATOM 1400 O SER A 91 36.467 -5.800 5.186 1.00 0.00 O ATOM 1401 CB SER A 91 33.714 -4.241 4.629 1.00 0.00 C ATOM 1402 OG SER A 91 34.808 -3.364 4.835 1.00 0.00 O ATOM 0 H SER A 91 34.647 -5.228 6.995 1.00 0.00 H new ATOM 0 HA SER A 91 33.355 -6.359 4.579 1.00 0.00 H new ATOM 0 HB2 SER A 91 33.416 -4.216 3.581 1.00 0.00 H new ATOM 0 HB3 SER A 91 32.858 -3.902 5.212 1.00 0.00 H new ATOM 0 HG SER A 91 34.553 -2.455 4.571 1.00 0.00 H new ATOM 1408 N SER A 92 35.516 -6.575 3.299 1.00 0.00 N ATOM 1409 CA SER A 92 36.783 -6.960 2.688 1.00 0.00 C ATOM 1410 C SER A 92 37.510 -5.741 2.130 1.00 0.00 C ATOM 1411 O SER A 92 37.300 -5.351 0.982 1.00 0.00 O ATOM 1412 CB SER A 92 36.547 -7.982 1.574 1.00 0.00 C ATOM 1413 OG SER A 92 37.770 -8.386 0.985 1.00 0.00 O ATOM 0 H SER A 92 34.695 -6.765 2.724 1.00 0.00 H new ATOM 0 HA SER A 92 37.407 -7.412 3.459 1.00 0.00 H new ATOM 0 HB2 SER A 92 36.030 -8.852 1.978 1.00 0.00 H new ATOM 0 HB3 SER A 92 35.898 -7.551 0.812 1.00 0.00 H new ATOM 0 HG SER A 92 37.592 -9.040 0.277 1.00 0.00 H new ATOM 1419 N GLY A 93 38.367 -5.143 2.952 1.00 0.00 N ATOM 1420 CA GLY A 93 39.113 -3.973 2.523 1.00 0.00 C ATOM 1421 C GLY A 93 38.708 -2.720 3.274 1.00 0.00 C ATOM 1422 O GLY A 93 39.558 -1.996 3.790 1.00 0.00 O ATOM 0 H GLY A 93 38.558 -5.447 3.907 1.00 0.00 H new ATOM 0 HA2 GLY A 93 40.178 -4.152 2.668 1.00 0.00 H new ATOM 0 HA3 GLY A 93 38.959 -3.819 1.455 1.00 0.00 H new TER 1426 GLY A 93 HETATM 1427 ZN ZN A 401 -15.237 3.250 3.945 1.00 0.00 ZN HETATM 1428 ZN ZN A 501 -17.138 -2.853 7.359 1.00 0.00 ZN HETATM 1429 ZN ZN A 601 -2.122 -4.782 3.063 1.00 0.00 ZN HETATM 1430 ZN ZN A 701 19.470 0.039 4.586 1.00 0.00 ZN