USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 755 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 16 MET CE :methyl 169:sc= -2.65! (180deg=-2.95!) USER MOD Set 1.2: A 73 ASN : amide:sc= -0.392 K(o=-3,f=-6.6!) USER MOD Set 2.1: A 3 HIS : no HD1:sc= -0.402 X(o=-0.63,f=-0.39) USER MOD Set 2.2: A 4 HIS : no HD1:sc= -0.227 X(o=-0.63,f=-0.18) USER MOD Single : A 0 HIS : no HD1:sc= -0.227 X(o=-0.23,f=0) USER MOD Single : A 1 HIS : no HD1:sc= -0.247 X(o=-0.25,f=-0.0077) USER MOD Single : A 2 HIS : no HD1:sc= -0.711 K(o=-0.71,f=-0.13) USER MOD Single : A 5 HIS : no HE2:sc= -0.0552 K(o=-0.055,f=-0.67) USER MOD Single : A 6 SER OG : rot 180:sc= -0.0208 USER MOD Single : A 7 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 180:sc= 0 USER MOD Single : A -4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -4 MET N :NH3+ -165:sc= 0 (180deg=-0.122) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.0632 X(o=-0.063,f=-0.039) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -160:sc= -0.0594 (180deg=-0.373) USER MOD Single : A 25 CYS SG : rot 180:sc= -0.233 USER MOD Single : A 26 GLN : amide:sc= -0.0178 X(o=-0.018,f=-0.23) USER MOD Single : A 27 CYS SG : rot -160:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -1.73 K(o=-1.7,f=-3.5!) USER MOD Single : A 31 LYS NZ :NH3+ 150:sc= -0.217 (180deg=-0.804) USER MOD Single : A 32 ASN : amide:sc= 0.875 K(o=0.87,f=-4!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.115 K(o=-0.11,f=-2.4!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= -1.97 K(o=-2,f=-3.7) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.0639 X(o=-0.064,f=-0.47) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0702 USER MOD Single : A 69 THR OG1 : rot 7:sc= 0.616 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0147) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0537 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -4 9.801 -5.334 4.079 1.00 0.00 N ATOM 2 CA MET A -4 10.415 -6.075 5.175 1.00 0.00 C ATOM 3 C MET A -4 11.510 -7.003 4.658 1.00 0.00 C ATOM 4 O MET A -4 12.659 -6.922 5.089 1.00 0.00 O ATOM 5 CB MET A -4 9.357 -6.885 5.926 1.00 0.00 C ATOM 6 CG MET A -4 8.441 -6.034 6.791 1.00 0.00 C ATOM 7 SD MET A -4 9.203 -5.566 8.357 1.00 0.00 S ATOM 8 CE MET A -4 8.764 -3.831 8.441 1.00 0.00 C ATOM 0 H1 MET A -4 9.250 -4.539 4.463 1.00 0.00 H new ATOM 0 H2 MET A -4 10.543 -4.969 3.448 1.00 0.00 H new ATOM 0 H3 MET A -4 9.171 -5.965 3.543 1.00 0.00 H new ATOM 0 HA MET A -4 10.866 -5.356 5.859 1.00 0.00 H new ATOM 0 HB2 MET A -4 8.753 -7.436 5.205 1.00 0.00 H new ATOM 0 HB3 MET A -4 9.855 -7.623 6.555 1.00 0.00 H new ATOM 0 HG2 MET A -4 8.163 -5.134 6.243 1.00 0.00 H new ATOM 0 HG3 MET A -4 7.521 -6.583 6.989 1.00 0.00 H new ATOM 0 HE1 MET A -4 9.165 -3.398 9.357 1.00 0.00 H new ATOM 0 HE2 MET A -4 9.181 -3.308 7.580 1.00 0.00 H new ATOM 0 HE3 MET A -4 7.679 -3.730 8.437 1.00 0.00 H new ATOM 18 N GLY A -3 11.145 -7.884 3.731 1.00 0.00 N ATOM 19 CA GLY A -3 12.108 -8.814 3.172 1.00 0.00 C ATOM 20 C GLY A -3 12.407 -8.531 1.713 1.00 0.00 C ATOM 21 O GLY A -3 12.504 -7.374 1.305 1.00 0.00 O ATOM 0 H GLY A -3 10.200 -7.970 3.358 1.00 0.00 H new ATOM 0 HA2 GLY A -3 13.033 -8.763 3.746 1.00 0.00 H new ATOM 0 HA3 GLY A -3 11.727 -9.830 3.271 1.00 0.00 H new ATOM 25 N SER A -2 12.556 -9.591 0.925 1.00 0.00 N ATOM 26 CA SER A -2 12.852 -9.452 -0.496 1.00 0.00 C ATOM 27 C SER A -2 11.730 -8.708 -1.214 1.00 0.00 C ATOM 28 O SER A -2 10.580 -8.724 -0.775 1.00 0.00 O ATOM 29 CB SER A -2 13.058 -10.827 -1.133 1.00 0.00 C ATOM 30 OG SER A -2 14.021 -11.582 -0.418 1.00 0.00 O ATOM 0 H SER A -2 12.477 -10.556 1.247 1.00 0.00 H new ATOM 0 HA SER A -2 13.770 -8.873 -0.596 1.00 0.00 H new ATOM 0 HB2 SER A -2 12.111 -11.367 -1.154 1.00 0.00 H new ATOM 0 HB3 SER A -2 13.380 -10.707 -2.167 1.00 0.00 H new ATOM 0 HG SER A -2 14.133 -12.457 -0.844 1.00 0.00 H new ATOM 36 N SER A -1 12.073 -8.058 -2.321 1.00 0.00 N ATOM 37 CA SER A -1 11.096 -7.305 -3.100 1.00 0.00 C ATOM 38 C SER A -1 11.142 -7.713 -4.569 1.00 0.00 C ATOM 39 O SER A -1 11.276 -6.869 -5.456 1.00 0.00 O ATOM 40 CB SER A -1 11.356 -5.803 -2.967 1.00 0.00 C ATOM 41 OG SER A -1 12.745 -5.527 -2.924 1.00 0.00 O ATOM 0 H SER A -1 13.020 -8.037 -2.699 1.00 0.00 H new ATOM 0 HA SER A -1 10.104 -7.531 -2.710 1.00 0.00 H new ATOM 0 HB2 SER A -1 10.904 -5.277 -3.808 1.00 0.00 H new ATOM 0 HB3 SER A -1 10.879 -5.427 -2.062 1.00 0.00 H new ATOM 0 HG SER A -1 12.884 -4.561 -2.841 1.00 0.00 H new ATOM 47 N HIS A 0 11.030 -9.013 -4.820 1.00 0.00 N ATOM 48 CA HIS A 0 11.058 -9.535 -6.182 1.00 0.00 C ATOM 49 C HIS A 0 10.778 -11.034 -6.196 1.00 0.00 C ATOM 50 O HIS A 0 11.301 -11.782 -5.368 1.00 0.00 O ATOM 51 CB HIS A 0 12.413 -9.251 -6.832 1.00 0.00 C ATOM 52 CG HIS A 0 13.578 -9.706 -6.008 1.00 0.00 C ATOM 53 ND1 HIS A 0 14.303 -10.843 -6.294 1.00 0.00 N ATOM 54 CD2 HIS A 0 14.145 -9.168 -4.903 1.00 0.00 C ATOM 55 CE1 HIS A 0 15.265 -10.986 -5.399 1.00 0.00 C ATOM 56 NE2 HIS A 0 15.191 -9.982 -4.544 1.00 0.00 N ATOM 0 H HIS A 0 10.919 -9.725 -4.098 1.00 0.00 H new ATOM 0 HA HIS A 0 10.277 -9.033 -6.753 1.00 0.00 H new ATOM 0 HB2 HIS A 0 12.451 -9.743 -7.804 1.00 0.00 H new ATOM 0 HB3 HIS A 0 12.503 -8.180 -7.013 1.00 0.00 H new ATOM 0 HD2 HIS A 0 13.833 -8.266 -4.398 1.00 0.00 H new ATOM 0 HE1 HIS A 0 15.988 -11.787 -5.371 1.00 0.00 H new ATOM 0 HE2 HIS A 0 15.810 -9.835 -3.747 1.00 0.00 H new ATOM 64 N HIS A 1 9.949 -11.468 -7.140 1.00 0.00 N ATOM 65 CA HIS A 1 9.599 -12.879 -7.261 1.00 0.00 C ATOM 66 C HIS A 1 9.123 -13.201 -8.674 1.00 0.00 C ATOM 67 O HIS A 1 8.526 -12.360 -9.347 1.00 0.00 O ATOM 68 CB HIS A 1 8.513 -13.245 -6.248 1.00 0.00 C ATOM 69 CG HIS A 1 7.190 -12.603 -6.530 1.00 0.00 C ATOM 70 ND1 HIS A 1 5.986 -13.256 -6.369 1.00 0.00 N ATOM 71 CD2 HIS A 1 6.885 -11.357 -6.964 1.00 0.00 C ATOM 72 CE1 HIS A 1 4.998 -12.441 -6.693 1.00 0.00 C ATOM 73 NE2 HIS A 1 5.517 -11.282 -7.057 1.00 0.00 N ATOM 0 H HIS A 1 9.507 -10.863 -7.832 1.00 0.00 H new ATOM 0 HA HIS A 1 10.492 -13.469 -7.054 1.00 0.00 H new ATOM 0 HB2 HIS A 1 8.387 -14.328 -6.238 1.00 0.00 H new ATOM 0 HB3 HIS A 1 8.844 -12.953 -5.251 1.00 0.00 H new ATOM 0 HD2 HIS A 1 7.587 -10.569 -7.194 1.00 0.00 H new ATOM 0 HE1 HIS A 1 3.945 -12.681 -6.665 1.00 0.00 H new ATOM 0 HE2 HIS A 1 4.987 -10.464 -7.358 1.00 0.00 H new ATOM 81 N HIS A 2 9.391 -14.425 -9.119 1.00 0.00 N ATOM 82 CA HIS A 2 8.990 -14.859 -10.453 1.00 0.00 C ATOM 83 C HIS A 2 8.434 -16.279 -10.418 1.00 0.00 C ATOM 84 O HIS A 2 8.665 -17.024 -9.465 1.00 0.00 O ATOM 85 CB HIS A 2 10.177 -14.787 -11.414 1.00 0.00 C ATOM 86 CG HIS A 2 9.782 -14.538 -12.837 1.00 0.00 C ATOM 87 ND1 HIS A 2 10.561 -14.912 -13.911 1.00 0.00 N ATOM 88 CD2 HIS A 2 8.680 -13.950 -13.360 1.00 0.00 C ATOM 89 CE1 HIS A 2 9.957 -14.564 -15.033 1.00 0.00 C ATOM 90 NE2 HIS A 2 8.813 -13.979 -14.726 1.00 0.00 N ATOM 0 H HIS A 2 9.884 -15.134 -8.576 1.00 0.00 H new ATOM 0 HA HIS A 2 8.206 -14.189 -10.806 1.00 0.00 H new ATOM 0 HB2 HIS A 2 10.850 -13.994 -11.088 1.00 0.00 H new ATOM 0 HB3 HIS A 2 10.736 -15.721 -11.359 1.00 0.00 H new ATOM 0 HD2 HIS A 2 7.851 -13.535 -12.806 1.00 0.00 H new ATOM 0 HE1 HIS A 2 10.334 -14.730 -16.031 1.00 0.00 H new ATOM 0 HE2 HIS A 2 8.138 -13.609 -15.395 1.00 0.00 H new ATOM 98 N HIS A 3 7.699 -16.647 -11.462 1.00 0.00 N ATOM 99 CA HIS A 3 7.109 -17.978 -11.551 1.00 0.00 C ATOM 100 C HIS A 3 6.479 -18.203 -12.922 1.00 0.00 C ATOM 101 O HIS A 3 6.296 -17.262 -13.695 1.00 0.00 O ATOM 102 CB HIS A 3 6.058 -18.167 -10.457 1.00 0.00 C ATOM 103 CG HIS A 3 5.891 -19.592 -10.026 1.00 0.00 C ATOM 104 ND1 HIS A 3 6.950 -20.464 -9.885 1.00 0.00 N ATOM 105 CD2 HIS A 3 4.781 -20.295 -9.703 1.00 0.00 C ATOM 106 CE1 HIS A 3 6.498 -21.643 -9.496 1.00 0.00 C ATOM 107 NE2 HIS A 3 5.184 -21.567 -9.377 1.00 0.00 N ATOM 0 H HIS A 3 7.498 -16.042 -12.258 1.00 0.00 H new ATOM 0 HA HIS A 3 7.904 -18.711 -11.412 1.00 0.00 H new ATOM 0 HB2 HIS A 3 6.334 -17.564 -9.592 1.00 0.00 H new ATOM 0 HB3 HIS A 3 5.100 -17.790 -10.816 1.00 0.00 H new ATOM 0 HD2 HIS A 3 3.766 -19.925 -9.702 1.00 0.00 H new ATOM 0 HE1 HIS A 3 7.100 -22.520 -9.307 1.00 0.00 H new ATOM 0 HE2 HIS A 3 4.569 -22.329 -9.090 1.00 0.00 H new ATOM 115 N HIS A 4 6.151 -19.457 -13.219 1.00 0.00 N ATOM 116 CA HIS A 4 5.542 -19.805 -14.498 1.00 0.00 C ATOM 117 C HIS A 4 6.422 -19.354 -15.659 1.00 0.00 C ATOM 118 O HIS A 4 5.925 -19.030 -16.738 1.00 0.00 O ATOM 119 CB HIS A 4 4.156 -19.171 -14.616 1.00 0.00 C ATOM 120 CG HIS A 4 3.306 -19.357 -13.397 1.00 0.00 C ATOM 121 ND1 HIS A 4 3.027 -20.594 -12.855 1.00 0.00 N ATOM 122 CD2 HIS A 4 2.673 -18.453 -12.612 1.00 0.00 C ATOM 123 CE1 HIS A 4 2.259 -20.443 -11.791 1.00 0.00 C ATOM 124 NE2 HIS A 4 2.030 -19.154 -11.622 1.00 0.00 N ATOM 0 H HIS A 4 6.297 -20.248 -12.592 1.00 0.00 H new ATOM 0 HA HIS A 4 5.442 -20.889 -14.542 1.00 0.00 H new ATOM 0 HB2 HIS A 4 4.269 -18.104 -14.811 1.00 0.00 H new ATOM 0 HB3 HIS A 4 3.642 -19.599 -15.476 1.00 0.00 H new ATOM 0 HD2 HIS A 4 2.674 -17.381 -12.741 1.00 0.00 H new ATOM 0 HE1 HIS A 4 1.882 -21.239 -11.166 1.00 0.00 H new ATOM 0 HE2 HIS A 4 1.467 -18.745 -10.877 1.00 0.00 H new ATOM 132 N HIS A 5 7.731 -19.335 -15.431 1.00 0.00 N ATOM 133 CA HIS A 5 8.680 -18.923 -16.459 1.00 0.00 C ATOM 134 C HIS A 5 9.358 -20.135 -17.091 1.00 0.00 C ATOM 135 O HIS A 5 10.515 -20.066 -17.505 1.00 0.00 O ATOM 136 CB HIS A 5 9.734 -17.987 -15.865 1.00 0.00 C ATOM 137 CG HIS A 5 10.485 -18.585 -14.715 1.00 0.00 C ATOM 138 ND1 HIS A 5 11.591 -19.392 -14.877 1.00 0.00 N ATOM 139 CD2 HIS A 5 10.284 -18.487 -13.380 1.00 0.00 C ATOM 140 CE1 HIS A 5 12.037 -19.767 -13.691 1.00 0.00 C ATOM 141 NE2 HIS A 5 11.262 -19.230 -12.766 1.00 0.00 N ATOM 0 H HIS A 5 8.159 -19.600 -14.544 1.00 0.00 H new ATOM 0 HA HIS A 5 8.128 -18.392 -17.235 1.00 0.00 H new ATOM 0 HB2 HIS A 5 10.442 -17.708 -16.645 1.00 0.00 H new ATOM 0 HB3 HIS A 5 9.248 -17.069 -15.533 1.00 0.00 H new ATOM 0 HD1 HIS A 5 12.001 -19.658 -15.772 1.00 0.00 H new ATOM 0 HD2 HIS A 5 9.501 -17.929 -12.889 1.00 0.00 H new ATOM 0 HE1 HIS A 5 12.890 -20.404 -13.509 1.00 0.00 H new ATOM 149 N SER A 6 8.629 -21.245 -17.160 1.00 0.00 N ATOM 150 CA SER A 6 9.161 -22.474 -17.737 1.00 0.00 C ATOM 151 C SER A 6 9.221 -22.379 -19.258 1.00 0.00 C ATOM 152 O SER A 6 8.450 -21.644 -19.876 1.00 0.00 O ATOM 153 CB SER A 6 8.302 -23.670 -17.322 1.00 0.00 C ATOM 154 OG SER A 6 8.509 -24.771 -18.190 1.00 0.00 O ATOM 0 H SER A 6 7.669 -21.318 -16.824 1.00 0.00 H new ATOM 0 HA SER A 6 10.174 -22.615 -17.360 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.544 -23.958 -16.299 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.249 -23.387 -17.333 1.00 0.00 H new ATOM 0 HG SER A 6 7.950 -25.523 -17.903 1.00 0.00 H new ATOM 160 N SER A 7 10.142 -23.127 -19.856 1.00 0.00 N ATOM 161 CA SER A 7 10.306 -23.126 -21.305 1.00 0.00 C ATOM 162 C SER A 7 9.326 -24.092 -21.964 1.00 0.00 C ATOM 163 O SER A 7 9.703 -25.184 -22.386 1.00 0.00 O ATOM 164 CB SER A 7 11.741 -23.504 -21.677 1.00 0.00 C ATOM 165 OG SER A 7 12.085 -23.001 -22.957 1.00 0.00 O ATOM 0 H SER A 7 10.787 -23.742 -19.359 1.00 0.00 H new ATOM 0 HA SER A 7 10.097 -22.120 -21.669 1.00 0.00 H new ATOM 0 HB2 SER A 7 12.430 -23.109 -20.930 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.849 -24.589 -21.668 1.00 0.00 H new ATOM 0 HG SER A 7 13.007 -23.254 -23.171 1.00 0.00 H new ATOM 171 N GLY A 8 8.065 -23.680 -22.047 1.00 0.00 N ATOM 172 CA GLY A 8 7.049 -24.520 -22.655 1.00 0.00 C ATOM 173 C GLY A 8 6.808 -24.177 -24.111 1.00 0.00 C ATOM 174 O GLY A 8 7.731 -24.213 -24.927 1.00 0.00 O ATOM 0 H GLY A 8 7.729 -22.780 -21.704 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.351 -25.564 -22.576 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.116 -24.415 -22.101 1.00 0.00 H new ATOM 178 N LEU A 9 5.565 -23.844 -24.441 1.00 0.00 N ATOM 179 CA LEU A 9 5.204 -23.493 -25.810 1.00 0.00 C ATOM 180 C LEU A 9 4.705 -22.054 -25.891 1.00 0.00 C ATOM 181 O LEU A 9 5.106 -21.296 -26.774 1.00 0.00 O ATOM 182 CB LEU A 9 4.130 -24.448 -26.336 1.00 0.00 C ATOM 183 CG LEU A 9 4.160 -24.729 -27.839 1.00 0.00 C ATOM 184 CD1 LEU A 9 3.086 -25.739 -28.213 1.00 0.00 C ATOM 185 CD2 LEU A 9 3.980 -23.440 -28.626 1.00 0.00 C ATOM 0 H LEU A 9 4.790 -23.810 -23.779 1.00 0.00 H new ATOM 0 HA LEU A 9 6.097 -23.583 -26.429 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.225 -25.396 -25.807 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.152 -24.038 -26.083 1.00 0.00 H new ATOM 0 HG LEU A 9 5.132 -25.152 -28.092 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.121 -25.927 -29.286 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.260 -26.671 -27.675 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.106 -25.344 -27.946 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.004 -23.659 -29.693 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.022 -22.988 -28.370 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.785 -22.748 -28.380 1.00 0.00 H new ATOM 197 N VAL A 10 3.830 -21.684 -24.962 1.00 0.00 N ATOM 198 CA VAL A 10 3.279 -20.335 -24.925 1.00 0.00 C ATOM 199 C VAL A 10 3.655 -19.622 -23.631 1.00 0.00 C ATOM 200 O VAL A 10 3.540 -20.171 -22.535 1.00 0.00 O ATOM 201 CB VAL A 10 1.745 -20.351 -25.062 1.00 0.00 C ATOM 202 CG1 VAL A 10 1.119 -21.191 -23.958 1.00 0.00 C ATOM 203 CG2 VAL A 10 1.193 -18.934 -25.043 1.00 0.00 C ATOM 0 H VAL A 10 3.487 -22.300 -24.225 1.00 0.00 H new ATOM 0 HA VAL A 10 3.706 -19.796 -25.771 1.00 0.00 H new ATOM 0 HB VAL A 10 1.488 -20.803 -26.020 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.035 -21.191 -24.071 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.490 -22.214 -24.024 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.383 -20.771 -22.987 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.108 -18.965 -25.141 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.459 -18.453 -24.102 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.616 -18.368 -25.873 1.00 0.00 H new ATOM 213 N PRO A 11 4.115 -18.368 -23.758 1.00 0.00 N ATOM 214 CA PRO A 11 4.517 -17.552 -22.608 1.00 0.00 C ATOM 215 C PRO A 11 3.328 -17.133 -21.751 1.00 0.00 C ATOM 216 O PRO A 11 3.353 -17.270 -20.528 1.00 0.00 O ATOM 217 CB PRO A 11 5.169 -16.327 -23.254 1.00 0.00 C ATOM 218 CG PRO A 11 4.549 -16.235 -24.605 1.00 0.00 C ATOM 219 CD PRO A 11 4.278 -17.651 -25.034 1.00 0.00 C ATOM 0 HA PRO A 11 5.176 -18.096 -21.932 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.982 -15.425 -22.671 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.251 -16.444 -23.322 1.00 0.00 H new ATOM 0 HG2 PRO A 11 3.627 -15.654 -24.573 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.216 -15.735 -25.307 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.382 -17.720 -25.651 1.00 0.00 H new ATOM 0 HD3 PRO A 11 5.101 -18.058 -25.621 1.00 0.00 H new ATOM 227 N ARG A 12 2.286 -16.623 -22.401 1.00 0.00 N ATOM 228 CA ARG A 12 1.088 -16.184 -21.697 1.00 0.00 C ATOM 229 C ARG A 12 -0.166 -16.773 -22.338 1.00 0.00 C ATOM 230 O ARG A 12 -0.250 -16.901 -23.558 1.00 0.00 O ATOM 231 CB ARG A 12 1.002 -14.656 -21.695 1.00 0.00 C ATOM 232 CG ARG A 12 2.258 -13.977 -21.174 1.00 0.00 C ATOM 233 CD ARG A 12 2.073 -12.471 -21.068 1.00 0.00 C ATOM 234 NE ARG A 12 1.490 -12.080 -19.788 1.00 0.00 N ATOM 235 CZ ARG A 12 2.132 -12.170 -18.629 1.00 0.00 C ATOM 236 NH1 ARG A 12 3.373 -12.636 -18.589 1.00 0.00 N ATOM 237 NH2 ARG A 12 1.533 -11.794 -17.506 1.00 0.00 N ATOM 0 H ARG A 12 2.248 -16.504 -23.413 1.00 0.00 H new ATOM 0 HA ARG A 12 1.151 -16.539 -20.668 1.00 0.00 H new ATOM 0 HB2 ARG A 12 0.806 -14.310 -22.710 1.00 0.00 H new ATOM 0 HB3 ARG A 12 0.153 -14.349 -21.084 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.513 -14.383 -20.195 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.094 -14.196 -21.838 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.037 -11.978 -21.193 1.00 0.00 H new ATOM 0 HD3 ARG A 12 1.431 -12.127 -21.879 1.00 0.00 H new ATOM 0 HE ARG A 12 0.537 -11.718 -19.784 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.837 -12.926 -19.450 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.864 -12.704 -17.697 1.00 0.00 H new ATOM 0 HH21 ARG A 12 0.578 -11.435 -17.532 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.027 -11.864 -16.616 1.00 0.00 H new ATOM 251 N GLY A 13 -1.138 -17.131 -21.504 1.00 0.00 N ATOM 252 CA GLY A 13 -2.373 -17.703 -22.007 1.00 0.00 C ATOM 253 C GLY A 13 -3.601 -16.991 -21.475 1.00 0.00 C ATOM 254 O GLY A 13 -4.343 -16.368 -22.234 1.00 0.00 O ATOM 0 H GLY A 13 -1.092 -17.035 -20.490 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.374 -17.657 -23.096 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.420 -18.757 -21.732 1.00 0.00 H new ATOM 258 N SER A 14 -3.817 -17.085 -20.167 1.00 0.00 N ATOM 259 CA SER A 14 -4.967 -16.449 -19.534 1.00 0.00 C ATOM 260 C SER A 14 -4.563 -15.139 -18.865 1.00 0.00 C ATOM 261 O SER A 14 -5.214 -14.683 -17.924 1.00 0.00 O ATOM 262 CB SER A 14 -5.593 -17.390 -18.503 1.00 0.00 C ATOM 263 OG SER A 14 -5.351 -18.746 -18.837 1.00 0.00 O ATOM 0 H SER A 14 -3.211 -17.595 -19.525 1.00 0.00 H new ATOM 0 HA SER A 14 -5.702 -16.229 -20.308 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.184 -17.177 -17.516 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.667 -17.212 -18.448 1.00 0.00 H new ATOM 0 HG SER A 14 -5.760 -19.327 -18.162 1.00 0.00 H new ATOM 269 N HIS A 15 -3.485 -14.538 -19.357 1.00 0.00 N ATOM 270 CA HIS A 15 -2.993 -13.279 -18.808 1.00 0.00 C ATOM 271 C HIS A 15 -3.553 -12.092 -19.585 1.00 0.00 C ATOM 272 O HIS A 15 -4.408 -11.360 -19.087 1.00 0.00 O ATOM 273 CB HIS A 15 -1.465 -13.248 -18.837 1.00 0.00 C ATOM 274 CG HIS A 15 -0.828 -14.294 -17.975 1.00 0.00 C ATOM 275 ND1 HIS A 15 -1.276 -14.600 -16.707 1.00 0.00 N ATOM 276 CD2 HIS A 15 0.229 -15.108 -18.206 1.00 0.00 C ATOM 277 CE1 HIS A 15 -0.521 -15.555 -16.195 1.00 0.00 C ATOM 278 NE2 HIS A 15 0.399 -15.882 -17.084 1.00 0.00 N ATOM 0 H HIS A 15 -2.935 -14.902 -20.135 1.00 0.00 H new ATOM 0 HA HIS A 15 -3.330 -13.205 -17.774 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -1.127 -13.380 -19.865 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -1.124 -12.265 -18.513 1.00 0.00 H new ATOM 0 HD2 HIS A 15 0.827 -15.142 -19.105 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -0.636 -15.994 -15.215 1.00 0.00 H new ATOM 0 HE2 HIS A 15 1.119 -16.594 -16.958 1.00 0.00 H new ATOM 286 N MET A 16 -3.065 -11.908 -20.808 1.00 0.00 N ATOM 287 CA MET A 16 -3.518 -10.810 -21.653 1.00 0.00 C ATOM 288 C MET A 16 -4.542 -11.295 -22.674 1.00 0.00 C ATOM 289 O MET A 16 -4.672 -12.496 -22.913 1.00 0.00 O ATOM 290 CB MET A 16 -2.329 -10.168 -22.372 1.00 0.00 C ATOM 291 CG MET A 16 -1.299 -9.569 -21.429 1.00 0.00 C ATOM 292 SD MET A 16 0.308 -9.337 -22.212 1.00 0.00 S ATOM 293 CE MET A 16 1.349 -9.077 -20.777 1.00 0.00 C ATOM 0 H MET A 16 -2.357 -12.505 -21.235 1.00 0.00 H new ATOM 0 HA MET A 16 -3.993 -10.066 -21.014 1.00 0.00 H new ATOM 0 HB2 MET A 16 -1.844 -10.919 -22.997 1.00 0.00 H new ATOM 0 HB3 MET A 16 -2.696 -9.388 -23.038 1.00 0.00 H new ATOM 0 HG2 MET A 16 -1.662 -8.609 -21.063 1.00 0.00 H new ATOM 0 HG3 MET A 16 -1.185 -10.219 -20.561 1.00 0.00 H new ATOM 0 HE1 MET A 16 2.397 -9.113 -21.076 1.00 0.00 H new ATOM 0 HE2 MET A 16 1.130 -8.103 -20.340 1.00 0.00 H new ATOM 0 HE3 MET A 16 1.155 -9.857 -20.041 1.00 0.00 H new ATOM 303 N SER A 17 -5.268 -10.355 -23.271 1.00 0.00 N ATOM 304 CA SER A 17 -6.284 -10.689 -24.262 1.00 0.00 C ATOM 305 C SER A 17 -6.264 -9.692 -25.417 1.00 0.00 C ATOM 306 O SER A 17 -6.062 -8.494 -25.215 1.00 0.00 O ATOM 307 CB SER A 17 -7.670 -10.710 -23.616 1.00 0.00 C ATOM 308 OG SER A 17 -7.777 -11.762 -22.673 1.00 0.00 O ATOM 0 H SER A 17 -5.171 -9.357 -23.086 1.00 0.00 H new ATOM 0 HA SER A 17 -6.060 -11.680 -24.656 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.860 -9.756 -23.124 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.432 -10.829 -24.386 1.00 0.00 H new ATOM 0 HG SER A 17 -8.672 -11.753 -22.273 1.00 0.00 H new ATOM 314 N VAL A 18 -6.475 -10.195 -26.629 1.00 0.00 N ATOM 315 CA VAL A 18 -6.482 -9.350 -27.817 1.00 0.00 C ATOM 316 C VAL A 18 -7.778 -8.552 -27.916 1.00 0.00 C ATOM 317 O VAL A 18 -7.931 -7.703 -28.794 1.00 0.00 O ATOM 318 CB VAL A 18 -6.307 -10.184 -29.100 1.00 0.00 C ATOM 319 CG1 VAL A 18 -7.536 -11.044 -29.351 1.00 0.00 C ATOM 320 CG2 VAL A 18 -6.028 -9.278 -30.290 1.00 0.00 C ATOM 0 H VAL A 18 -6.643 -11.184 -26.814 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.641 -8.663 -27.722 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.451 -10.846 -28.968 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.393 -11.626 -30.262 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.686 -11.719 -28.509 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.411 -10.404 -29.463 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.907 -9.884 -31.188 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.862 -8.589 -30.426 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.115 -8.711 -30.109 1.00 0.00 H new ATOM 330 N ASP A 19 -8.708 -8.831 -27.010 1.00 0.00 N ATOM 331 CA ASP A 19 -9.992 -8.139 -26.993 1.00 0.00 C ATOM 332 C ASP A 19 -9.797 -6.639 -26.790 1.00 0.00 C ATOM 333 O ASP A 19 -10.689 -5.842 -27.083 1.00 0.00 O ATOM 334 CB ASP A 19 -10.886 -8.704 -25.889 1.00 0.00 C ATOM 335 CG ASP A 19 -12.359 -8.466 -26.158 1.00 0.00 C ATOM 336 OD1 ASP A 19 -12.684 -7.919 -27.232 1.00 0.00 O ATOM 337 OD2 ASP A 19 -13.186 -8.826 -25.294 1.00 0.00 O ATOM 0 H ASP A 19 -8.597 -9.532 -26.277 1.00 0.00 H new ATOM 0 HA ASP A 19 -10.476 -8.298 -27.957 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.706 -9.775 -25.792 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.615 -8.248 -24.937 1.00 0.00 H new ATOM 342 N ASP A 20 -8.628 -6.263 -26.285 1.00 0.00 N ATOM 343 CA ASP A 20 -8.316 -4.859 -26.043 1.00 0.00 C ATOM 344 C ASP A 20 -7.457 -4.291 -27.168 1.00 0.00 C ATOM 345 O ASP A 20 -7.108 -3.110 -27.160 1.00 0.00 O ATOM 346 CB ASP A 20 -7.595 -4.698 -24.703 1.00 0.00 C ATOM 347 CG ASP A 20 -7.838 -3.340 -24.074 1.00 0.00 C ATOM 348 OD1 ASP A 20 -8.916 -3.149 -23.474 1.00 0.00 O ATOM 349 OD2 ASP A 20 -6.950 -2.469 -24.183 1.00 0.00 O ATOM 0 H ASP A 20 -7.880 -6.910 -26.035 1.00 0.00 H new ATOM 0 HA ASP A 20 -9.254 -4.305 -26.011 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.929 -5.477 -24.018 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.524 -4.841 -24.850 1.00 0.00 H new ATOM 354 N ILE A 21 -7.118 -5.139 -28.133 1.00 0.00 N ATOM 355 CA ILE A 21 -6.300 -4.721 -29.265 1.00 0.00 C ATOM 356 C ILE A 21 -6.975 -5.064 -30.588 1.00 0.00 C ATOM 357 O ILE A 21 -7.311 -6.221 -30.843 1.00 0.00 O ATOM 358 CB ILE A 21 -4.908 -5.378 -29.226 1.00 0.00 C ATOM 359 CG1 ILE A 21 -4.194 -5.035 -27.916 1.00 0.00 C ATOM 360 CG2 ILE A 21 -4.078 -4.932 -30.420 1.00 0.00 C ATOM 361 CD1 ILE A 21 -2.828 -5.672 -27.788 1.00 0.00 C ATOM 0 H ILE A 21 -7.397 -6.120 -28.154 1.00 0.00 H new ATOM 0 HA ILE A 21 -6.185 -3.640 -29.189 1.00 0.00 H new ATOM 0 HB ILE A 21 -5.032 -6.460 -29.278 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -4.090 -3.953 -27.841 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -4.815 -5.354 -27.079 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.097 -5.405 -30.378 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.582 -5.222 -31.342 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -3.960 -3.849 -30.397 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.381 -5.386 -26.836 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.927 -6.757 -27.831 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.191 -5.333 -28.605 1.00 0.00 H new ATOM 373 N ILE A 22 -7.170 -4.052 -31.427 1.00 0.00 N ATOM 374 CA ILE A 22 -7.802 -4.248 -32.725 1.00 0.00 C ATOM 375 C ILE A 22 -6.931 -3.697 -33.849 1.00 0.00 C ATOM 376 O ILE A 22 -5.796 -3.278 -33.620 1.00 0.00 O ATOM 377 CB ILE A 22 -9.185 -3.574 -32.785 1.00 0.00 C ATOM 378 CG1 ILE A 22 -9.038 -2.052 -32.719 1.00 0.00 C ATOM 379 CG2 ILE A 22 -10.069 -4.076 -31.653 1.00 0.00 C ATOM 380 CD1 ILE A 22 -10.355 -1.313 -32.816 1.00 0.00 C ATOM 0 H ILE A 22 -6.899 -3.088 -31.231 1.00 0.00 H new ATOM 0 HA ILE A 22 -7.925 -5.323 -32.857 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.659 -3.834 -33.732 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.547 -1.783 -31.784 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.385 -1.723 -33.528 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.043 -3.590 -31.709 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.196 -5.155 -31.742 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.602 -3.843 -30.696 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -10.175 -0.239 -32.762 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -10.838 -1.553 -33.763 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -11.002 -1.614 -31.992 1.00 0.00 H new ATOM 392 N ILE A 23 -7.471 -3.699 -35.064 1.00 0.00 N ATOM 393 CA ILE A 23 -6.744 -3.197 -36.223 1.00 0.00 C ATOM 394 C ILE A 23 -6.731 -1.672 -36.245 1.00 0.00 C ATOM 395 O ILE A 23 -7.716 -1.026 -35.885 1.00 0.00 O ATOM 396 CB ILE A 23 -7.356 -3.713 -37.538 1.00 0.00 C ATOM 397 CG1 ILE A 23 -7.546 -5.230 -37.477 1.00 0.00 C ATOM 398 CG2 ILE A 23 -6.475 -3.332 -38.718 1.00 0.00 C ATOM 399 CD1 ILE A 23 -7.927 -5.846 -38.805 1.00 0.00 C ATOM 0 H ILE A 23 -8.409 -4.043 -35.270 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.722 -3.566 -36.139 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.333 -3.248 -37.673 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.623 -5.690 -37.124 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.318 -5.462 -36.743 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.921 -3.704 -39.640 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.386 -2.247 -38.770 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.486 -3.772 -38.590 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.045 -6.923 -38.686 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.866 -5.414 -39.150 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.145 -5.645 -39.537 1.00 0.00 H new ATOM 411 N LYS A 24 -5.610 -1.101 -36.673 1.00 0.00 N ATOM 412 CA LYS A 24 -5.469 0.348 -36.746 1.00 0.00 C ATOM 413 C LYS A 24 -5.574 0.976 -35.360 1.00 0.00 C ATOM 414 O LYS A 24 -6.228 2.004 -35.182 1.00 0.00 O ATOM 415 CB LYS A 24 -6.537 0.940 -37.668 1.00 0.00 C ATOM 416 CG LYS A 24 -6.596 0.278 -39.034 1.00 0.00 C ATOM 417 CD LYS A 24 -7.073 1.247 -40.103 1.00 0.00 C ATOM 418 CE LYS A 24 -8.571 1.490 -40.007 1.00 0.00 C ATOM 419 NZ LYS A 24 -9.353 0.261 -40.315 1.00 0.00 N ATOM 0 H LYS A 24 -4.786 -1.620 -36.975 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.483 0.571 -37.153 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.511 0.849 -37.187 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.343 2.005 -37.798 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.609 -0.100 -39.299 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.266 -0.581 -38.995 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.543 2.194 -40.000 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.830 0.851 -41.089 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.819 1.836 -39.004 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.855 2.284 -40.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.326 0.524 -40.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.909 -0.243 -41.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.371 -0.358 -39.479 1.00 0.00 H new ATOM 433 N CYS A 25 -4.926 0.352 -34.382 1.00 0.00 N ATOM 434 CA CYS A 25 -4.946 0.851 -33.012 1.00 0.00 C ATOM 435 C CYS A 25 -3.537 1.184 -32.533 1.00 0.00 C ATOM 436 O CYS A 25 -2.552 0.688 -33.081 1.00 0.00 O ATOM 437 CB CYS A 25 -5.583 -0.182 -32.081 1.00 0.00 C ATOM 438 SG CYS A 25 -6.969 0.454 -31.110 1.00 0.00 S ATOM 0 H CYS A 25 -4.381 -0.500 -34.513 1.00 0.00 H new ATOM 0 HA CYS A 25 -5.541 1.764 -32.993 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.928 -1.028 -32.676 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.820 -0.561 -31.401 1.00 0.00 H new ATOM 0 HG CYS A 25 -7.442 -0.494 -30.356 1.00 0.00 H new ATOM 444 N GLN A 26 -3.449 2.027 -31.510 1.00 0.00 N ATOM 445 CA GLN A 26 -2.159 2.428 -30.960 1.00 0.00 C ATOM 446 C GLN A 26 -1.735 1.495 -29.831 1.00 0.00 C ATOM 447 O GLN A 26 -2.466 1.310 -28.857 1.00 0.00 O ATOM 448 CB GLN A 26 -2.225 3.869 -30.449 1.00 0.00 C ATOM 449 CG GLN A 26 -3.241 4.075 -29.338 1.00 0.00 C ATOM 450 CD GLN A 26 -3.944 5.415 -29.432 1.00 0.00 C ATOM 451 OE1 GLN A 26 -4.456 5.788 -30.488 1.00 0.00 O ATOM 452 NE2 GLN A 26 -3.974 6.146 -28.324 1.00 0.00 N ATOM 0 H GLN A 26 -4.255 2.446 -31.045 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.417 2.365 -31.756 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -1.240 4.163 -30.088 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.470 4.530 -31.281 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.982 3.277 -29.376 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.739 3.999 -28.373 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -3.537 5.797 -27.471 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.435 7.056 -28.326 1.00 0.00 H new ATOM 461 N CYS A 27 -0.551 0.908 -29.968 1.00 0.00 N ATOM 462 CA CYS A 27 -0.030 -0.007 -28.959 1.00 0.00 C ATOM 463 C CYS A 27 1.368 0.411 -28.515 1.00 0.00 C ATOM 464 O CYS A 27 2.246 0.654 -29.343 1.00 0.00 O ATOM 465 CB CYS A 27 0.002 -1.436 -29.505 1.00 0.00 C ATOM 466 SG CYS A 27 -1.002 -2.608 -28.564 1.00 0.00 S ATOM 0 H CYS A 27 0.066 1.049 -30.768 1.00 0.00 H new ATOM 0 HA CYS A 27 -0.692 0.030 -28.094 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.343 -1.426 -30.539 1.00 0.00 H new ATOM 0 HB3 CYS A 27 1.034 -1.786 -29.517 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.603 -3.820 -28.814 1.00 0.00 H new ATOM 472 N TRP A 28 1.566 0.496 -27.205 1.00 0.00 N ATOM 473 CA TRP A 28 2.857 0.887 -26.650 1.00 0.00 C ATOM 474 C TRP A 28 3.869 -0.247 -26.774 1.00 0.00 C ATOM 475 O TRP A 28 3.585 -1.387 -26.409 1.00 0.00 O ATOM 476 CB TRP A 28 2.703 1.293 -25.184 1.00 0.00 C ATOM 477 CG TRP A 28 2.377 2.744 -25.000 1.00 0.00 C ATOM 478 CD1 TRP A 28 1.135 3.292 -24.848 1.00 0.00 C ATOM 479 CD2 TRP A 28 3.306 3.832 -24.951 1.00 0.00 C ATOM 480 NE1 TRP A 28 1.237 4.655 -24.707 1.00 0.00 N ATOM 481 CE2 TRP A 28 2.558 5.011 -24.766 1.00 0.00 C ATOM 482 CE3 TRP A 28 4.698 3.925 -25.044 1.00 0.00 C ATOM 483 CZ2 TRP A 28 3.156 6.265 -24.674 1.00 0.00 C ATOM 484 CZ3 TRP A 28 5.290 5.170 -24.952 1.00 0.00 C ATOM 485 CH2 TRP A 28 4.520 6.327 -24.768 1.00 0.00 C ATOM 0 H TRP A 28 0.849 0.299 -26.507 1.00 0.00 H new ATOM 0 HA TRP A 28 3.226 1.741 -27.219 1.00 0.00 H new ATOM 0 HB2 TRP A 28 1.917 0.691 -24.729 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.627 1.065 -24.653 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.209 2.736 -24.840 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.455 5.298 -24.579 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.300 3.039 -25.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.564 7.157 -24.533 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.364 5.253 -25.023 1.00 0.00 H new ATOM 0 HH2 TRP A 28 5.013 7.286 -24.699 1.00 0.00 H new ATOM 496 N VAL A 29 5.051 0.074 -27.290 1.00 0.00 N ATOM 497 CA VAL A 29 6.105 -0.918 -27.460 1.00 0.00 C ATOM 498 C VAL A 29 7.136 -0.821 -26.341 1.00 0.00 C ATOM 499 O VAL A 29 7.871 0.161 -26.245 1.00 0.00 O ATOM 500 CB VAL A 29 6.818 -0.753 -28.816 1.00 0.00 C ATOM 501 CG1 VAL A 29 7.904 -1.805 -28.980 1.00 0.00 C ATOM 502 CG2 VAL A 29 5.815 -0.827 -29.957 1.00 0.00 C ATOM 0 H VAL A 29 5.302 1.013 -27.597 1.00 0.00 H new ATOM 0 HA VAL A 29 5.627 -1.897 -27.426 1.00 0.00 H new ATOM 0 HB VAL A 29 7.291 0.229 -28.841 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.396 -1.673 -29.943 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.637 -1.699 -28.180 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.458 -2.799 -28.934 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.336 -0.709 -30.907 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.312 -1.794 -29.937 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.078 -0.032 -29.846 1.00 0.00 H new ATOM 512 N GLN A 30 7.184 -1.848 -25.499 1.00 0.00 N ATOM 513 CA GLN A 30 8.126 -1.878 -24.385 1.00 0.00 C ATOM 514 C GLN A 30 9.449 -2.507 -24.809 1.00 0.00 C ATOM 515 O GLN A 30 9.481 -3.625 -25.323 1.00 0.00 O ATOM 516 CB GLN A 30 7.532 -2.655 -23.209 1.00 0.00 C ATOM 517 CG GLN A 30 7.264 -4.118 -23.519 1.00 0.00 C ATOM 518 CD GLN A 30 6.509 -4.822 -22.408 1.00 0.00 C ATOM 519 OE1 GLN A 30 5.756 -4.197 -21.661 1.00 0.00 O ATOM 520 NE2 GLN A 30 6.708 -6.130 -22.293 1.00 0.00 N ATOM 0 H GLN A 30 6.583 -2.669 -25.566 1.00 0.00 H new ATOM 0 HA GLN A 30 8.316 -0.851 -24.074 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.214 -2.591 -22.361 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.599 -2.180 -22.905 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.692 -4.190 -24.444 1.00 0.00 H new ATOM 0 HG3 GLN A 30 8.212 -4.629 -23.689 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.341 -6.608 -22.934 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.228 -6.657 -21.563 1.00 0.00 H new ATOM 529 N LYS A 31 10.540 -1.782 -24.589 1.00 0.00 N ATOM 530 CA LYS A 31 11.868 -2.268 -24.946 1.00 0.00 C ATOM 531 C LYS A 31 12.632 -2.723 -23.707 1.00 0.00 C ATOM 532 O LYS A 31 12.248 -2.412 -22.580 1.00 0.00 O ATOM 533 CB LYS A 31 12.656 -1.174 -25.670 1.00 0.00 C ATOM 534 CG LYS A 31 12.735 -1.376 -27.174 1.00 0.00 C ATOM 535 CD LYS A 31 13.966 -2.177 -27.564 1.00 0.00 C ATOM 536 CE LYS A 31 13.666 -3.668 -27.621 1.00 0.00 C ATOM 537 NZ LYS A 31 12.636 -3.988 -28.647 1.00 0.00 N ATOM 0 H LYS A 31 10.531 -0.855 -24.165 1.00 0.00 H new ATOM 0 HA LYS A 31 11.748 -3.123 -25.612 1.00 0.00 H new ATOM 0 HB2 LYS A 31 12.193 -0.209 -25.465 1.00 0.00 H new ATOM 0 HB3 LYS A 31 13.667 -1.136 -25.263 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.839 -1.891 -27.521 1.00 0.00 H new ATOM 0 HG3 LYS A 31 12.758 -0.407 -27.672 1.00 0.00 H new ATOM 0 HD2 LYS A 31 14.328 -1.840 -28.535 1.00 0.00 H new ATOM 0 HD3 LYS A 31 14.764 -1.993 -26.845 1.00 0.00 H new ATOM 0 HE2 LYS A 31 14.582 -4.214 -27.844 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.322 -4.007 -26.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.804 -4.944 -29.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.691 -3.946 -28.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.693 -3.298 -29.423 1.00 0.00 H new ATOM 551 N ASN A 32 13.716 -3.461 -23.924 1.00 0.00 N ATOM 552 CA ASN A 32 14.534 -3.959 -22.824 1.00 0.00 C ATOM 553 C ASN A 32 14.916 -2.827 -21.875 1.00 0.00 C ATOM 554 O ASN A 32 14.755 -2.941 -20.660 1.00 0.00 O ATOM 555 CB ASN A 32 15.797 -4.634 -23.365 1.00 0.00 C ATOM 556 CG ASN A 32 15.486 -5.880 -24.171 1.00 0.00 C ATOM 557 OD1 ASN A 32 15.219 -5.806 -25.371 1.00 0.00 O ATOM 558 ND2 ASN A 32 15.519 -7.033 -23.514 1.00 0.00 N ATOM 0 H ASN A 32 14.048 -3.727 -24.851 1.00 0.00 H new ATOM 0 HA ASN A 32 13.947 -4.692 -22.270 1.00 0.00 H new ATOM 0 HB2 ASN A 32 16.344 -3.928 -23.989 1.00 0.00 H new ATOM 0 HB3 ASN A 32 16.450 -4.896 -22.533 1.00 0.00 H new ATOM 0 HD21 ASN A 32 15.318 -7.905 -24.004 1.00 0.00 H new ATOM 0 HD22 ASN A 32 15.745 -7.047 -22.519 1.00 0.00 H new ATOM 565 N ASP A 33 15.423 -1.736 -22.438 1.00 0.00 N ATOM 566 CA ASP A 33 15.826 -0.582 -21.642 1.00 0.00 C ATOM 567 C ASP A 33 15.393 0.718 -22.313 1.00 0.00 C ATOM 568 O ASP A 33 15.973 1.776 -22.069 1.00 0.00 O ATOM 569 CB ASP A 33 17.342 -0.584 -21.435 1.00 0.00 C ATOM 570 CG ASP A 33 18.099 -0.938 -22.700 1.00 0.00 C ATOM 571 OD1 ASP A 33 18.227 -0.060 -23.579 1.00 0.00 O ATOM 572 OD2 ASP A 33 18.562 -2.092 -22.811 1.00 0.00 O ATOM 0 H ASP A 33 15.565 -1.626 -23.442 1.00 0.00 H new ATOM 0 HA ASP A 33 15.334 -0.650 -20.672 1.00 0.00 H new ATOM 0 HB2 ASP A 33 17.660 0.399 -21.088 1.00 0.00 H new ATOM 0 HB3 ASP A 33 17.598 -1.296 -20.651 1.00 0.00 H new ATOM 577 N GLU A 34 14.372 0.630 -23.159 1.00 0.00 N ATOM 578 CA GLU A 34 13.863 1.800 -23.865 1.00 0.00 C ATOM 579 C GLU A 34 12.339 1.774 -23.934 1.00 0.00 C ATOM 580 O GLU A 34 11.704 0.819 -23.488 1.00 0.00 O ATOM 581 CB GLU A 34 14.447 1.864 -25.278 1.00 0.00 C ATOM 582 CG GLU A 34 15.918 2.247 -25.312 1.00 0.00 C ATOM 583 CD GLU A 34 16.450 2.392 -26.724 1.00 0.00 C ATOM 584 OE1 GLU A 34 16.152 3.420 -27.367 1.00 0.00 O ATOM 585 OE2 GLU A 34 17.165 1.478 -27.186 1.00 0.00 O ATOM 0 H GLU A 34 13.881 -0.238 -23.372 1.00 0.00 H new ATOM 0 HA GLU A 34 14.169 2.688 -23.312 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.322 0.894 -25.758 1.00 0.00 H new ATOM 0 HB3 GLU A 34 13.879 2.586 -25.865 1.00 0.00 H new ATOM 0 HG2 GLU A 34 16.058 3.186 -24.777 1.00 0.00 H new ATOM 0 HG3 GLU A 34 16.499 1.490 -24.785 1.00 0.00 H new ATOM 592 N GLU A 35 11.760 2.831 -24.495 1.00 0.00 N ATOM 593 CA GLU A 35 10.310 2.930 -24.621 1.00 0.00 C ATOM 594 C GLU A 35 9.921 3.529 -25.969 1.00 0.00 C ATOM 595 O GLU A 35 10.390 4.605 -26.341 1.00 0.00 O ATOM 596 CB GLU A 35 9.734 3.780 -23.487 1.00 0.00 C ATOM 597 CG GLU A 35 9.201 2.961 -22.323 1.00 0.00 C ATOM 598 CD GLU A 35 10.062 3.085 -21.080 1.00 0.00 C ATOM 599 OE1 GLU A 35 10.470 4.219 -20.752 1.00 0.00 O ATOM 600 OE2 GLU A 35 10.326 2.048 -20.436 1.00 0.00 O ATOM 0 H GLU A 35 12.272 3.630 -24.869 1.00 0.00 H new ATOM 0 HA GLU A 35 9.896 1.924 -24.557 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.508 4.455 -23.121 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.930 4.401 -23.882 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.186 3.284 -22.091 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.143 1.913 -22.617 1.00 0.00 H new ATOM 607 N ARG A 36 9.060 2.825 -26.697 1.00 0.00 N ATOM 608 CA ARG A 36 8.608 3.286 -28.004 1.00 0.00 C ATOM 609 C ARG A 36 7.117 3.023 -28.188 1.00 0.00 C ATOM 610 O ARG A 36 6.469 2.428 -27.325 1.00 0.00 O ATOM 611 CB ARG A 36 9.400 2.592 -29.115 1.00 0.00 C ATOM 612 CG ARG A 36 10.748 3.236 -29.395 1.00 0.00 C ATOM 613 CD ARG A 36 11.458 2.558 -30.556 1.00 0.00 C ATOM 614 NE ARG A 36 12.764 3.155 -30.823 1.00 0.00 N ATOM 615 CZ ARG A 36 13.420 3.007 -31.968 1.00 0.00 C ATOM 616 NH1 ARG A 36 12.894 2.285 -32.948 1.00 0.00 N ATOM 617 NH2 ARG A 36 14.604 3.582 -32.136 1.00 0.00 N ATOM 0 H ARG A 36 8.662 1.933 -26.404 1.00 0.00 H new ATOM 0 HA ARG A 36 8.779 4.361 -28.061 1.00 0.00 H new ATOM 0 HB2 ARG A 36 9.555 1.548 -28.841 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.807 2.597 -30.030 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.608 4.293 -29.620 1.00 0.00 H new ATOM 0 HG3 ARG A 36 11.372 3.180 -28.503 1.00 0.00 H new ATOM 0 HD2 ARG A 36 11.582 1.498 -30.335 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.838 2.627 -31.450 1.00 0.00 H new ATOM 0 HE ARG A 36 13.196 3.717 -30.089 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.984 1.842 -32.823 1.00 0.00 H new ATOM 0 HH12 ARG A 36 13.400 2.173 -33.827 1.00 0.00 H new ATOM 0 HH21 ARG A 36 15.012 4.139 -31.385 1.00 0.00 H new ATOM 0 HH22 ARG A 36 15.106 3.467 -33.016 1.00 0.00 H new ATOM 631 N LEU A 37 6.577 3.471 -29.316 1.00 0.00 N ATOM 632 CA LEU A 37 5.161 3.285 -29.613 1.00 0.00 C ATOM 633 C LEU A 37 4.958 2.888 -31.072 1.00 0.00 C ATOM 634 O LEU A 37 5.586 3.447 -31.971 1.00 0.00 O ATOM 635 CB LEU A 37 4.383 4.567 -29.309 1.00 0.00 C ATOM 636 CG LEU A 37 2.979 4.657 -29.907 1.00 0.00 C ATOM 637 CD1 LEU A 37 2.073 3.594 -29.306 1.00 0.00 C ATOM 638 CD2 LEU A 37 2.394 6.045 -29.687 1.00 0.00 C ATOM 0 H LEU A 37 7.098 3.966 -30.040 1.00 0.00 H new ATOM 0 HA LEU A 37 4.785 2.480 -28.981 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.303 4.672 -28.227 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.965 5.415 -29.669 1.00 0.00 H new ATOM 0 HG LEU A 37 3.050 4.480 -30.980 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.078 3.674 -29.744 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.483 2.606 -29.515 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.007 3.739 -28.228 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.394 6.091 -30.119 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.337 6.251 -28.618 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.031 6.788 -30.166 1.00 0.00 H new ATOM 650 N ALA A 38 4.076 1.921 -31.300 1.00 0.00 N ATOM 651 CA ALA A 38 3.788 1.452 -32.649 1.00 0.00 C ATOM 652 C ALA A 38 2.297 1.187 -32.831 1.00 0.00 C ATOM 653 O ALA A 38 1.569 0.993 -31.859 1.00 0.00 O ATOM 654 CB ALA A 38 4.590 0.195 -32.954 1.00 0.00 C ATOM 0 H ALA A 38 3.548 1.447 -30.567 1.00 0.00 H new ATOM 0 HA ALA A 38 4.080 2.235 -33.349 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.365 -0.144 -33.965 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.655 0.414 -32.874 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.326 -0.587 -32.242 1.00 0.00 H new ATOM 660 N GLU A 39 1.850 1.181 -34.084 1.00 0.00 N ATOM 661 CA GLU A 39 0.445 0.941 -34.392 1.00 0.00 C ATOM 662 C GLU A 39 0.239 -0.472 -34.930 1.00 0.00 C ATOM 663 O GLU A 39 1.183 -1.115 -35.392 1.00 0.00 O ATOM 664 CB GLU A 39 -0.058 1.965 -35.411 1.00 0.00 C ATOM 665 CG GLU A 39 -1.505 2.376 -35.197 1.00 0.00 C ATOM 666 CD GLU A 39 -1.928 3.516 -36.104 1.00 0.00 C ATOM 667 OE1 GLU A 39 -1.711 3.410 -37.329 1.00 0.00 O ATOM 668 OE2 GLU A 39 -2.476 4.512 -35.588 1.00 0.00 O ATOM 0 H GLU A 39 2.440 1.339 -34.901 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.126 1.046 -33.469 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.574 2.852 -35.364 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.049 1.550 -36.413 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.153 1.517 -35.373 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.645 2.673 -34.157 1.00 0.00 H new ATOM 675 N ILE A 40 -0.999 -0.948 -34.866 1.00 0.00 N ATOM 676 CA ILE A 40 -1.329 -2.284 -35.347 1.00 0.00 C ATOM 677 C ILE A 40 -1.953 -2.229 -36.737 1.00 0.00 C ATOM 678 O ILE A 40 -2.899 -1.478 -36.976 1.00 0.00 O ATOM 679 CB ILE A 40 -2.298 -3.004 -34.390 1.00 0.00 C ATOM 680 CG1 ILE A 40 -1.685 -3.107 -32.992 1.00 0.00 C ATOM 681 CG2 ILE A 40 -2.644 -4.385 -34.926 1.00 0.00 C ATOM 682 CD1 ILE A 40 -0.353 -3.823 -32.967 1.00 0.00 C ATOM 0 H ILE A 40 -1.790 -0.429 -34.486 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.394 -2.843 -35.392 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.217 -2.422 -34.321 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.557 -2.104 -32.586 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.382 -3.630 -32.336 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.329 -4.881 -34.239 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.117 -4.288 -35.903 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.734 -4.977 -35.021 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.022 -3.859 -31.944 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.479 -4.838 -33.343 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.359 -3.289 -33.596 1.00 0.00 H new ATOM 694 N LEU A 41 -1.418 -3.031 -37.651 1.00 0.00 N ATOM 695 CA LEU A 41 -1.923 -3.076 -39.019 1.00 0.00 C ATOM 696 C LEU A 41 -2.660 -4.385 -39.285 1.00 0.00 C ATOM 697 O LEU A 41 -3.702 -4.400 -39.939 1.00 0.00 O ATOM 698 CB LEU A 41 -0.772 -2.914 -40.014 1.00 0.00 C ATOM 699 CG LEU A 41 -0.149 -1.521 -40.099 1.00 0.00 C ATOM 700 CD1 LEU A 41 0.951 -1.490 -41.149 1.00 0.00 C ATOM 701 CD2 LEU A 41 -1.213 -0.478 -40.408 1.00 0.00 C ATOM 0 H LEU A 41 -0.635 -3.659 -37.470 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.625 -2.253 -39.148 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.011 -3.625 -39.751 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.133 -3.189 -41.005 1.00 0.00 H new ATOM 0 HG LEU A 41 0.294 -1.284 -39.132 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.382 -0.490 -41.195 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.727 -2.208 -40.884 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.533 -1.750 -42.122 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.751 0.508 -40.465 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.686 -0.712 -41.362 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.965 -0.481 -39.619 1.00 0.00 H new ATOM 713 N SER A 42 -2.112 -5.481 -38.770 1.00 0.00 N ATOM 714 CA SER A 42 -2.716 -6.796 -38.953 1.00 0.00 C ATOM 715 C SER A 42 -2.504 -7.667 -37.719 1.00 0.00 C ATOM 716 O SER A 42 -1.607 -7.416 -36.914 1.00 0.00 O ATOM 717 CB SER A 42 -2.126 -7.485 -40.185 1.00 0.00 C ATOM 718 OG SER A 42 -2.959 -8.544 -40.625 1.00 0.00 O ATOM 0 H SER A 42 -1.251 -5.485 -38.223 1.00 0.00 H new ATOM 0 HA SER A 42 -3.787 -6.659 -39.100 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.002 -6.758 -40.988 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.135 -7.872 -39.949 1.00 0.00 H new ATOM 0 HG SER A 42 -2.561 -8.967 -41.414 1.00 0.00 H new ATOM 724 N ILE A 43 -3.337 -8.693 -37.576 1.00 0.00 N ATOM 725 CA ILE A 43 -3.242 -9.602 -36.442 1.00 0.00 C ATOM 726 C ILE A 43 -3.483 -11.045 -36.872 1.00 0.00 C ATOM 727 O ILE A 43 -4.379 -11.325 -37.667 1.00 0.00 O ATOM 728 CB ILE A 43 -4.249 -9.233 -35.337 1.00 0.00 C ATOM 729 CG1 ILE A 43 -4.102 -7.758 -34.955 1.00 0.00 C ATOM 730 CG2 ILE A 43 -4.051 -10.123 -34.119 1.00 0.00 C ATOM 731 CD1 ILE A 43 -5.094 -7.304 -33.907 1.00 0.00 C ATOM 0 H ILE A 43 -4.086 -8.915 -38.232 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.231 -9.507 -36.047 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.258 -9.392 -35.718 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.091 -7.586 -34.586 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.224 -7.146 -35.848 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.771 -9.849 -33.347 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.201 -11.165 -34.402 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.039 -9.993 -33.734 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.932 -6.249 -33.685 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.108 -7.444 -34.281 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.958 -7.891 -32.999 1.00 0.00 H new ATOM 743 N ASN A 44 -2.678 -11.959 -36.338 1.00 0.00 N ATOM 744 CA ASN A 44 -2.805 -13.374 -36.666 1.00 0.00 C ATOM 745 C ASN A 44 -3.560 -14.121 -35.570 1.00 0.00 C ATOM 746 O ASN A 44 -3.409 -13.825 -34.384 1.00 0.00 O ATOM 747 CB ASN A 44 -1.422 -13.999 -36.865 1.00 0.00 C ATOM 748 CG ASN A 44 -1.441 -15.137 -37.867 1.00 0.00 C ATOM 749 OD1 ASN A 44 -2.481 -15.453 -38.445 1.00 0.00 O ATOM 750 ND2 ASN A 44 -0.286 -15.758 -38.077 1.00 0.00 N ATOM 0 H ASN A 44 -1.932 -11.745 -35.677 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.371 -13.457 -37.594 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.725 -13.232 -37.203 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.051 -14.367 -35.908 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.236 -16.531 -38.740 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.551 -15.462 -37.575 1.00 0.00 H new ATOM 757 N THR A 45 -4.373 -15.091 -35.975 1.00 0.00 N ATOM 758 CA THR A 45 -5.152 -15.880 -35.029 1.00 0.00 C ATOM 759 C THR A 45 -5.123 -17.360 -35.393 1.00 0.00 C ATOM 760 O THR A 45 -6.028 -18.115 -35.034 1.00 0.00 O ATOM 761 CB THR A 45 -6.617 -15.405 -34.974 1.00 0.00 C ATOM 762 OG1 THR A 45 -7.157 -15.326 -36.298 1.00 0.00 O ATOM 763 CG2 THR A 45 -6.720 -14.047 -34.297 1.00 0.00 C ATOM 0 H THR A 45 -4.509 -15.349 -36.952 1.00 0.00 H new ATOM 0 HA THR A 45 -4.695 -15.741 -34.049 1.00 0.00 H new ATOM 0 HB THR A 45 -7.189 -16.128 -34.392 1.00 0.00 H new ATOM 0 HG1 THR A 45 -8.089 -15.025 -36.254 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.763 -13.732 -34.270 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.336 -14.118 -33.279 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.135 -13.317 -34.856 1.00 0.00 H new ATOM 771 N ARG A 46 -4.079 -17.769 -36.106 1.00 0.00 N ATOM 772 CA ARG A 46 -3.933 -19.160 -36.518 1.00 0.00 C ATOM 773 C ARG A 46 -3.331 -19.999 -35.395 1.00 0.00 C ATOM 774 O ARG A 46 -3.916 -20.994 -34.965 1.00 0.00 O ATOM 775 CB ARG A 46 -3.054 -19.255 -37.767 1.00 0.00 C ATOM 776 CG ARG A 46 -3.274 -20.525 -38.571 1.00 0.00 C ATOM 777 CD ARG A 46 -2.534 -20.479 -39.898 1.00 0.00 C ATOM 778 NE ARG A 46 -1.097 -20.679 -39.731 1.00 0.00 N ATOM 779 CZ ARG A 46 -0.211 -20.496 -40.704 1.00 0.00 C ATOM 780 NH1 ARG A 46 -0.613 -20.111 -41.907 1.00 0.00 N ATOM 781 NH2 ARG A 46 1.080 -20.698 -40.474 1.00 0.00 N ATOM 0 H ARG A 46 -3.322 -17.157 -36.410 1.00 0.00 H new ATOM 0 HA ARG A 46 -4.924 -19.550 -36.749 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.249 -18.393 -38.405 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.007 -19.200 -37.469 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.935 -21.385 -37.994 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.340 -20.662 -38.752 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.932 -21.247 -40.562 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.713 -19.518 -40.379 1.00 0.00 H new ATOM 0 HE ARG A 46 -0.755 -20.976 -38.817 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.605 -19.954 -42.087 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.069 -19.971 -42.652 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.393 -20.994 -39.550 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.759 -20.557 -41.222 1.00 0.00 H new ATOM 795 N LYS A 47 -2.157 -19.593 -34.923 1.00 0.00 N ATOM 796 CA LYS A 47 -1.475 -20.305 -33.849 1.00 0.00 C ATOM 797 C LYS A 47 -1.198 -19.378 -32.670 1.00 0.00 C ATOM 798 O LYS A 47 -1.088 -18.164 -32.837 1.00 0.00 O ATOM 799 CB LYS A 47 -0.162 -20.904 -34.361 1.00 0.00 C ATOM 800 CG LYS A 47 -0.349 -21.906 -35.486 1.00 0.00 C ATOM 801 CD LYS A 47 0.984 -22.442 -35.982 1.00 0.00 C ATOM 802 CE LYS A 47 0.838 -23.144 -37.324 1.00 0.00 C ATOM 803 NZ LYS A 47 0.468 -24.577 -37.163 1.00 0.00 N ATOM 0 H LYS A 47 -1.658 -18.773 -35.268 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.127 -21.110 -33.509 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.485 -20.098 -34.707 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.352 -21.392 -33.533 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.968 -22.733 -35.139 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.882 -21.433 -36.311 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.695 -21.621 -36.075 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.393 -23.137 -35.249 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.078 -22.637 -37.918 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.775 -23.071 -37.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.378 -25.020 -38.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.206 -25.067 -36.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.439 -24.647 -36.659 1.00 0.00 H new ATOM 817 N ALA A 48 -1.085 -19.959 -31.480 1.00 0.00 N ATOM 818 CA ALA A 48 -0.817 -19.184 -30.275 1.00 0.00 C ATOM 819 C ALA A 48 0.635 -19.336 -29.836 1.00 0.00 C ATOM 820 O ALA A 48 1.282 -20.353 -30.089 1.00 0.00 O ATOM 821 CB ALA A 48 -1.756 -19.609 -29.155 1.00 0.00 C ATOM 0 H ALA A 48 -1.175 -20.963 -31.325 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.992 -18.132 -30.503 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.545 -19.022 -28.261 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.788 -19.443 -29.463 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.608 -20.667 -28.938 1.00 0.00 H new ATOM 827 N PRO A 49 1.162 -18.303 -29.163 1.00 0.00 N ATOM 828 CA PRO A 49 0.402 -17.088 -28.856 1.00 0.00 C ATOM 829 C PRO A 49 0.112 -16.256 -30.101 1.00 0.00 C ATOM 830 O PRO A 49 0.723 -16.437 -31.154 1.00 0.00 O ATOM 831 CB PRO A 49 1.325 -16.322 -27.905 1.00 0.00 C ATOM 832 CG PRO A 49 2.695 -16.803 -28.239 1.00 0.00 C ATOM 833 CD PRO A 49 2.541 -18.241 -28.650 1.00 0.00 C ATOM 0 HA PRO A 49 -0.576 -17.316 -28.431 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.237 -15.245 -28.050 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.077 -16.525 -26.863 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.131 -16.212 -29.044 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.361 -16.712 -27.381 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.267 -18.521 -29.414 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.687 -18.918 -27.808 1.00 0.00 H new ATOM 841 N PRO A 50 -0.842 -15.321 -29.980 1.00 0.00 N ATOM 842 CA PRO A 50 -1.234 -14.442 -31.085 1.00 0.00 C ATOM 843 C PRO A 50 -0.149 -13.429 -31.433 1.00 0.00 C ATOM 844 O PRO A 50 0.620 -13.005 -30.569 1.00 0.00 O ATOM 845 CB PRO A 50 -2.478 -13.730 -30.549 1.00 0.00 C ATOM 846 CG PRO A 50 -2.324 -13.763 -29.067 1.00 0.00 C ATOM 847 CD PRO A 50 -1.612 -15.050 -28.754 1.00 0.00 C ATOM 0 HA PRO A 50 -1.409 -14.999 -32.006 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -2.538 -12.706 -30.918 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.391 -14.236 -30.864 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.752 -12.905 -28.715 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.295 -13.724 -28.573 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.962 -14.948 -27.885 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.314 -15.854 -28.534 1.00 0.00 H new ATOM 855 N LYS A 51 -0.091 -13.043 -32.703 1.00 0.00 N ATOM 856 CA LYS A 51 0.899 -12.078 -33.166 1.00 0.00 C ATOM 857 C LYS A 51 0.237 -10.757 -33.543 1.00 0.00 C ATOM 858 O LYS A 51 -0.987 -10.673 -33.651 1.00 0.00 O ATOM 859 CB LYS A 51 1.665 -12.638 -34.368 1.00 0.00 C ATOM 860 CG LYS A 51 2.097 -14.083 -34.194 1.00 0.00 C ATOM 861 CD LYS A 51 3.132 -14.227 -33.091 1.00 0.00 C ATOM 862 CE LYS A 51 3.337 -15.684 -32.706 1.00 0.00 C ATOM 863 NZ LYS A 51 4.289 -16.371 -33.622 1.00 0.00 N ATOM 0 H LYS A 51 -0.719 -13.384 -33.431 1.00 0.00 H new ATOM 0 HA LYS A 51 1.598 -11.894 -32.351 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.038 -12.559 -35.256 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.547 -12.023 -34.545 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.228 -14.698 -33.961 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.509 -14.456 -35.132 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.079 -13.800 -33.421 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.814 -13.660 -32.216 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.712 -15.740 -31.684 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.378 -16.202 -32.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.402 -17.362 -33.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.920 -16.340 -34.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.211 -15.892 -33.587 1.00 0.00 H new ATOM 877 N PHE A 52 1.052 -9.727 -33.742 1.00 0.00 N ATOM 878 CA PHE A 52 0.545 -8.409 -34.107 1.00 0.00 C ATOM 879 C PHE A 52 1.519 -7.689 -35.034 1.00 0.00 C ATOM 880 O PHE A 52 2.733 -7.730 -34.830 1.00 0.00 O ATOM 881 CB PHE A 52 0.300 -7.568 -32.853 1.00 0.00 C ATOM 882 CG PHE A 52 -0.413 -8.314 -31.761 1.00 0.00 C ATOM 883 CD1 PHE A 52 -1.778 -8.539 -31.834 1.00 0.00 C ATOM 884 CD2 PHE A 52 0.283 -8.791 -30.661 1.00 0.00 C ATOM 885 CE1 PHE A 52 -2.436 -9.224 -30.830 1.00 0.00 C ATOM 886 CE2 PHE A 52 -0.369 -9.477 -29.654 1.00 0.00 C ATOM 887 CZ PHE A 52 -1.730 -9.695 -29.739 1.00 0.00 C ATOM 0 H PHE A 52 2.067 -9.779 -33.657 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.399 -8.544 -34.635 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.257 -7.210 -32.473 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.285 -6.689 -33.123 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.334 -8.175 -32.685 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.348 -8.624 -30.590 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.501 -9.391 -30.898 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.185 -9.842 -28.802 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.242 -10.233 -28.954 1.00 0.00 H new ATOM 897 N TYR A 53 0.979 -7.029 -36.053 1.00 0.00 N ATOM 898 CA TYR A 53 1.800 -6.302 -37.013 1.00 0.00 C ATOM 899 C TYR A 53 2.032 -4.865 -36.554 1.00 0.00 C ATOM 900 O TYR A 53 1.132 -4.028 -36.618 1.00 0.00 O ATOM 901 CB TYR A 53 1.136 -6.308 -38.391 1.00 0.00 C ATOM 902 CG TYR A 53 2.105 -6.538 -39.529 1.00 0.00 C ATOM 903 CD1 TYR A 53 3.259 -5.775 -39.650 1.00 0.00 C ATOM 904 CD2 TYR A 53 1.866 -7.520 -40.483 1.00 0.00 C ATOM 905 CE1 TYR A 53 4.146 -5.981 -40.689 1.00 0.00 C ATOM 906 CE2 TYR A 53 2.748 -7.734 -41.524 1.00 0.00 C ATOM 907 CZ TYR A 53 3.887 -6.962 -41.623 1.00 0.00 C ATOM 908 OH TYR A 53 4.769 -7.171 -42.658 1.00 0.00 O ATOM 0 H TYR A 53 -0.024 -6.983 -36.235 1.00 0.00 H new ATOM 0 HA TYR A 53 2.766 -6.803 -37.080 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.371 -7.085 -38.413 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.628 -5.356 -38.544 1.00 0.00 H new ATOM 0 HD1 TYR A 53 3.467 -5.007 -38.919 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.975 -8.126 -40.409 1.00 0.00 H new ATOM 0 HE1 TYR A 53 5.038 -5.377 -40.769 1.00 0.00 H new ATOM 0 HE2 TYR A 53 2.547 -8.502 -42.257 1.00 0.00 H new ATOM 0 HH TYR A 53 4.440 -7.898 -43.226 1.00 0.00 H new ATOM 918 N VAL A 54 3.247 -4.587 -36.093 1.00 0.00 N ATOM 919 CA VAL A 54 3.600 -3.252 -35.624 1.00 0.00 C ATOM 920 C VAL A 54 4.088 -2.378 -36.774 1.00 0.00 C ATOM 921 O VAL A 54 4.845 -2.829 -37.634 1.00 0.00 O ATOM 922 CB VAL A 54 4.690 -3.308 -34.538 1.00 0.00 C ATOM 923 CG1 VAL A 54 4.149 -3.952 -33.271 1.00 0.00 C ATOM 924 CG2 VAL A 54 5.911 -4.060 -35.048 1.00 0.00 C ATOM 0 H VAL A 54 4.004 -5.268 -36.034 1.00 0.00 H new ATOM 0 HA VAL A 54 2.696 -2.817 -35.198 1.00 0.00 H new ATOM 0 HB VAL A 54 4.992 -2.289 -34.298 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.934 -3.983 -32.515 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.307 -3.369 -32.897 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.818 -4.967 -33.492 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.672 -4.090 -34.268 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.626 -5.077 -35.316 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.311 -3.552 -35.925 1.00 0.00 H new ATOM 934 N HIS A 55 3.649 -1.123 -36.783 1.00 0.00 N ATOM 935 CA HIS A 55 4.043 -0.183 -37.827 1.00 0.00 C ATOM 936 C HIS A 55 4.446 1.160 -37.226 1.00 0.00 C ATOM 937 O HIS A 55 3.920 1.571 -36.191 1.00 0.00 O ATOM 938 CB HIS A 55 2.899 0.014 -38.823 1.00 0.00 C ATOM 939 CG HIS A 55 3.154 1.100 -39.822 1.00 0.00 C ATOM 940 ND1 HIS A 55 3.596 0.854 -41.105 1.00 0.00 N ATOM 941 CD2 HIS A 55 3.027 2.444 -39.720 1.00 0.00 C ATOM 942 CE1 HIS A 55 3.730 2.000 -41.749 1.00 0.00 C ATOM 943 NE2 HIS A 55 3.390 2.980 -40.931 1.00 0.00 N ATOM 0 H HIS A 55 3.021 -0.734 -36.080 1.00 0.00 H new ATOM 0 HA HIS A 55 4.904 -0.600 -38.350 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.725 -0.922 -39.353 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.986 0.244 -38.274 1.00 0.00 H new ATOM 0 HD2 HIS A 55 2.701 2.992 -38.849 1.00 0.00 H new ATOM 0 HE1 HIS A 55 4.061 2.116 -42.770 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.396 3.974 -41.162 1.00 0.00 H new ATOM 951 N TYR A 56 5.383 1.838 -37.880 1.00 0.00 N ATOM 952 CA TYR A 56 5.859 3.132 -37.408 1.00 0.00 C ATOM 953 C TYR A 56 5.198 4.270 -38.180 1.00 0.00 C ATOM 954 O TYR A 56 5.324 4.364 -39.401 1.00 0.00 O ATOM 955 CB TYR A 56 7.379 3.222 -37.548 1.00 0.00 C ATOM 956 CG TYR A 56 8.035 4.086 -36.495 1.00 0.00 C ATOM 957 CD1 TYR A 56 7.722 5.435 -36.381 1.00 0.00 C ATOM 958 CD2 TYR A 56 8.966 3.553 -35.612 1.00 0.00 C ATOM 959 CE1 TYR A 56 8.319 6.228 -35.421 1.00 0.00 C ATOM 960 CE2 TYR A 56 9.567 4.338 -34.647 1.00 0.00 C ATOM 961 CZ TYR A 56 9.241 5.675 -34.556 1.00 0.00 C ATOM 962 OH TYR A 56 9.836 6.462 -33.597 1.00 0.00 O ATOM 0 H TYR A 56 5.828 1.512 -38.738 1.00 0.00 H new ATOM 0 HA TYR A 56 5.592 3.227 -36.356 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.800 2.218 -37.496 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.622 3.619 -38.534 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.999 5.871 -37.055 1.00 0.00 H new ATOM 0 HD2 TYR A 56 9.224 2.507 -35.681 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.066 7.275 -35.348 1.00 0.00 H new ATOM 0 HE2 TYR A 56 10.288 3.907 -33.968 1.00 0.00 H new ATOM 0 HH TYR A 56 10.459 5.920 -33.069 1.00 0.00 H new ATOM 972 N VAL A 57 4.492 5.135 -37.458 1.00 0.00 N ATOM 973 CA VAL A 57 3.812 6.269 -38.072 1.00 0.00 C ATOM 974 C VAL A 57 4.800 7.371 -38.436 1.00 0.00 C ATOM 975 O VAL A 57 5.624 7.776 -37.616 1.00 0.00 O ATOM 976 CB VAL A 57 2.733 6.849 -37.139 1.00 0.00 C ATOM 977 CG1 VAL A 57 1.644 5.820 -36.875 1.00 0.00 C ATOM 978 CG2 VAL A 57 3.356 7.323 -35.835 1.00 0.00 C ATOM 0 H VAL A 57 4.376 5.072 -36.447 1.00 0.00 H new ATOM 0 HA VAL A 57 3.335 5.898 -38.980 1.00 0.00 H new ATOM 0 HB VAL A 57 2.276 7.708 -37.631 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.891 6.249 -36.214 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.178 5.533 -37.818 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.082 4.940 -36.404 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.579 7.730 -35.187 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.841 6.483 -35.337 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.095 8.096 -36.045 1.00 0.00 H new ATOM 988 N ASN A 58 4.712 7.854 -39.671 1.00 0.00 N ATOM 989 CA ASN A 58 5.598 8.910 -40.144 1.00 0.00 C ATOM 990 C ASN A 58 7.053 8.452 -40.119 1.00 0.00 C ATOM 991 O ASN A 58 7.921 9.136 -39.577 1.00 0.00 O ATOM 992 CB ASN A 58 5.433 10.166 -39.287 1.00 0.00 C ATOM 993 CG ASN A 58 3.978 10.475 -38.988 1.00 0.00 C ATOM 994 OD1 ASN A 58 3.098 10.226 -39.812 1.00 0.00 O ATOM 995 ND2 ASN A 58 3.720 11.020 -37.805 1.00 0.00 N ATOM 0 H ASN A 58 4.035 7.530 -40.362 1.00 0.00 H new ATOM 0 HA ASN A 58 5.326 9.143 -41.174 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.974 10.037 -38.350 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.884 11.015 -39.801 1.00 0.00 H new ATOM 0 HD21 ASN A 58 2.760 11.250 -37.548 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.482 11.209 -37.153 1.00 0.00 H new ATOM 1002 N TYR A 59 7.312 7.290 -40.708 1.00 0.00 N ATOM 1003 CA TYR A 59 8.661 6.738 -40.751 1.00 0.00 C ATOM 1004 C TYR A 59 8.779 5.672 -41.836 1.00 0.00 C ATOM 1005 O TYR A 59 7.790 5.300 -42.466 1.00 0.00 O ATOM 1006 CB TYR A 59 9.035 6.143 -39.393 1.00 0.00 C ATOM 1007 CG TYR A 59 10.506 6.263 -39.064 1.00 0.00 C ATOM 1008 CD1 TYR A 59 11.072 7.495 -38.762 1.00 0.00 C ATOM 1009 CD2 TYR A 59 11.330 5.144 -39.055 1.00 0.00 C ATOM 1010 CE1 TYR A 59 12.416 7.610 -38.461 1.00 0.00 C ATOM 1011 CE2 TYR A 59 12.674 5.249 -38.755 1.00 0.00 C ATOM 1012 CZ TYR A 59 13.212 6.484 -38.458 1.00 0.00 C ATOM 1013 OH TYR A 59 14.551 6.593 -38.160 1.00 0.00 O ATOM 0 H TYR A 59 6.605 6.712 -41.163 1.00 0.00 H new ATOM 0 HA TYR A 59 9.350 7.549 -40.987 1.00 0.00 H new ATOM 0 HB2 TYR A 59 8.456 6.641 -38.616 1.00 0.00 H new ATOM 0 HB3 TYR A 59 8.752 5.090 -39.377 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.451 8.379 -38.762 1.00 0.00 H new ATOM 0 HD2 TYR A 59 10.912 4.175 -39.287 1.00 0.00 H new ATOM 0 HE1 TYR A 59 12.840 8.576 -38.230 1.00 0.00 H new ATOM 0 HE2 TYR A 59 13.300 4.369 -38.753 1.00 0.00 H new ATOM 0 HH TYR A 59 14.968 5.707 -38.201 1.00 0.00 H new ATOM 1023 N ASN A 60 9.997 5.183 -42.046 1.00 0.00 N ATOM 1024 CA ASN A 60 10.246 4.159 -43.054 1.00 0.00 C ATOM 1025 C ASN A 60 9.311 2.969 -42.863 1.00 0.00 C ATOM 1026 O ASN A 60 8.603 2.876 -41.860 1.00 0.00 O ATOM 1027 CB ASN A 60 11.702 3.693 -42.989 1.00 0.00 C ATOM 1028 CG ASN A 60 12.615 4.525 -43.869 1.00 0.00 C ATOM 1029 OD1 ASN A 60 13.266 5.459 -43.400 1.00 0.00 O ATOM 1030 ND2 ASN A 60 12.667 4.189 -45.152 1.00 0.00 N ATOM 0 H ASN A 60 10.827 5.479 -41.532 1.00 0.00 H new ATOM 0 HA ASN A 60 10.054 4.596 -44.034 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.051 3.743 -41.958 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.760 2.648 -43.295 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.264 4.712 -45.792 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.110 3.407 -45.497 1.00 0.00 H new ATOM 1037 N LYS A 61 9.314 2.060 -43.832 1.00 0.00 N ATOM 1038 CA LYS A 61 8.468 0.874 -43.772 1.00 0.00 C ATOM 1039 C LYS A 61 9.276 -0.350 -43.352 1.00 0.00 C ATOM 1040 O LYS A 61 8.729 -1.311 -42.810 1.00 0.00 O ATOM 1041 CB LYS A 61 7.810 0.622 -45.130 1.00 0.00 C ATOM 1042 CG LYS A 61 6.709 -0.424 -45.088 1.00 0.00 C ATOM 1043 CD LYS A 61 5.916 -0.451 -46.384 1.00 0.00 C ATOM 1044 CE LYS A 61 5.010 0.765 -46.508 1.00 0.00 C ATOM 1045 NZ LYS A 61 3.766 0.454 -47.265 1.00 0.00 N ATOM 0 H LYS A 61 9.894 2.122 -44.669 1.00 0.00 H new ATOM 0 HA LYS A 61 7.692 1.049 -43.026 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.396 1.559 -45.503 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.573 0.306 -45.841 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.146 -1.406 -44.907 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.039 -0.215 -44.254 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.602 -0.483 -47.231 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.315 -1.360 -46.425 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.749 1.127 -45.513 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.548 1.570 -47.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.175 1.308 -47.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.014 0.133 -48.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.239 -0.296 -46.774 1.00 0.00 H new ATOM 1059 N ARG A 62 10.581 -0.307 -43.604 1.00 0.00 N ATOM 1060 CA ARG A 62 11.463 -1.413 -43.251 1.00 0.00 C ATOM 1061 C ARG A 62 11.287 -1.804 -41.787 1.00 0.00 C ATOM 1062 O ARG A 62 11.464 -2.966 -41.418 1.00 0.00 O ATOM 1063 CB ARG A 62 12.922 -1.033 -43.517 1.00 0.00 C ATOM 1064 CG ARG A 62 13.408 0.138 -42.680 1.00 0.00 C ATOM 1065 CD ARG A 62 14.805 0.575 -43.092 1.00 0.00 C ATOM 1066 NE ARG A 62 14.778 1.502 -44.220 1.00 0.00 N ATOM 1067 CZ ARG A 62 15.871 1.977 -44.807 1.00 0.00 C ATOM 1068 NH1 ARG A 62 17.071 1.613 -44.375 1.00 0.00 N ATOM 1069 NH2 ARG A 62 15.765 2.816 -45.829 1.00 0.00 N ATOM 0 H ARG A 62 11.050 0.481 -44.051 1.00 0.00 H new ATOM 0 HA ARG A 62 11.198 -2.269 -43.871 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.556 -1.898 -43.320 1.00 0.00 H new ATOM 0 HB3 ARG A 62 13.038 -0.787 -44.573 1.00 0.00 H new ATOM 0 HG2 ARG A 62 12.717 0.975 -42.787 1.00 0.00 H new ATOM 0 HG3 ARG A 62 13.409 -0.142 -41.627 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.301 1.049 -42.245 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.396 -0.302 -43.357 1.00 0.00 H new ATOM 0 HE ARG A 62 13.870 1.801 -44.577 1.00 0.00 H new ATOM 0 HH11 ARG A 62 17.156 0.967 -43.590 1.00 0.00 H new ATOM 0 HH12 ARG A 62 17.909 1.979 -44.827 1.00 0.00 H new ATOM 0 HH21 ARG A 62 14.844 3.097 -46.165 1.00 0.00 H new ATOM 0 HH22 ARG A 62 16.605 3.180 -46.279 1.00 0.00 H new ATOM 1083 N LEU A 63 10.938 -0.828 -40.957 1.00 0.00 N ATOM 1084 CA LEU A 63 10.737 -1.069 -39.533 1.00 0.00 C ATOM 1085 C LEU A 63 9.401 -1.759 -39.280 1.00 0.00 C ATOM 1086 O LEU A 63 9.281 -2.594 -38.383 1.00 0.00 O ATOM 1087 CB LEU A 63 10.798 0.249 -38.758 1.00 0.00 C ATOM 1088 CG LEU A 63 12.193 0.723 -38.350 1.00 0.00 C ATOM 1089 CD1 LEU A 63 12.114 2.068 -37.645 1.00 0.00 C ATOM 1090 CD2 LEU A 63 12.868 -0.309 -37.459 1.00 0.00 C ATOM 0 H LEU A 63 10.788 0.139 -41.246 1.00 0.00 H new ATOM 0 HA LEU A 63 11.535 -1.725 -39.185 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.335 1.027 -39.366 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.193 0.146 -37.857 1.00 0.00 H new ATOM 0 HG LEU A 63 12.793 0.843 -39.252 1.00 0.00 H new ATOM 0 HD11 LEU A 63 13.116 2.390 -37.362 1.00 0.00 H new ATOM 0 HD12 LEU A 63 11.672 2.805 -38.316 1.00 0.00 H new ATOM 0 HD13 LEU A 63 11.497 1.975 -36.751 1.00 0.00 H new ATOM 0 HD21 LEU A 63 13.860 0.045 -37.179 1.00 0.00 H new ATOM 0 HD22 LEU A 63 12.270 -0.461 -36.561 1.00 0.00 H new ATOM 0 HD23 LEU A 63 12.959 -1.252 -37.998 1.00 0.00 H new ATOM 1102 N ASP A 64 8.399 -1.407 -40.078 1.00 0.00 N ATOM 1103 CA ASP A 64 7.071 -1.995 -39.944 1.00 0.00 C ATOM 1104 C ASP A 64 7.122 -3.505 -40.151 1.00 0.00 C ATOM 1105 O ASP A 64 7.205 -3.983 -41.282 1.00 0.00 O ATOM 1106 CB ASP A 64 6.105 -1.362 -40.947 1.00 0.00 C ATOM 1107 CG ASP A 64 4.863 -2.203 -41.165 1.00 0.00 C ATOM 1108 OD1 ASP A 64 4.184 -2.528 -40.168 1.00 0.00 O ATOM 1109 OD2 ASP A 64 4.569 -2.535 -42.332 1.00 0.00 O ATOM 0 H ASP A 64 8.481 -0.717 -40.825 1.00 0.00 H new ATOM 0 HA ASP A 64 6.714 -1.797 -38.934 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.813 -0.374 -40.592 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.616 -1.220 -41.899 1.00 0.00 H new ATOM 1114 N GLU A 65 7.072 -4.251 -39.052 1.00 0.00 N ATOM 1115 CA GLU A 65 7.115 -5.707 -39.115 1.00 0.00 C ATOM 1116 C GLU A 65 6.127 -6.323 -38.129 1.00 0.00 C ATOM 1117 O GLU A 65 5.396 -5.612 -37.439 1.00 0.00 O ATOM 1118 CB GLU A 65 8.529 -6.211 -38.819 1.00 0.00 C ATOM 1119 CG GLU A 65 8.954 -6.019 -37.373 1.00 0.00 C ATOM 1120 CD GLU A 65 10.433 -6.279 -37.160 1.00 0.00 C ATOM 1121 OE1 GLU A 65 11.182 -6.289 -38.159 1.00 0.00 O ATOM 1122 OE2 GLU A 65 10.840 -6.472 -35.996 1.00 0.00 O ATOM 0 H GLU A 65 7.002 -3.871 -38.108 1.00 0.00 H new ATOM 0 HA GLU A 65 6.833 -6.010 -40.123 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.587 -7.270 -39.068 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.234 -5.691 -39.468 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.719 -5.001 -37.061 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.376 -6.689 -36.736 1.00 0.00 H new ATOM 1129 N TRP A 66 6.110 -7.650 -38.068 1.00 0.00 N ATOM 1130 CA TRP A 66 5.212 -8.363 -37.167 1.00 0.00 C ATOM 1131 C TRP A 66 5.990 -9.027 -36.036 1.00 0.00 C ATOM 1132 O TRP A 66 7.051 -9.610 -36.260 1.00 0.00 O ATOM 1133 CB TRP A 66 4.411 -9.413 -37.938 1.00 0.00 C ATOM 1134 CG TRP A 66 5.244 -10.563 -38.416 1.00 0.00 C ATOM 1135 CD1 TRP A 66 6.113 -10.564 -39.469 1.00 0.00 C ATOM 1136 CD2 TRP A 66 5.286 -11.881 -37.858 1.00 0.00 C ATOM 1137 NE1 TRP A 66 6.692 -11.803 -39.601 1.00 0.00 N ATOM 1138 CE2 TRP A 66 6.203 -12.628 -38.624 1.00 0.00 C ATOM 1139 CE3 TRP A 66 4.640 -12.502 -36.786 1.00 0.00 C ATOM 1140 CZ2 TRP A 66 6.486 -13.964 -38.350 1.00 0.00 C ATOM 1141 CZ3 TRP A 66 4.923 -13.828 -36.516 1.00 0.00 C ATOM 1142 CH2 TRP A 66 5.839 -14.547 -37.295 1.00 0.00 C ATOM 0 H TRP A 66 6.708 -8.254 -38.632 1.00 0.00 H new ATOM 0 HA TRP A 66 4.523 -7.639 -36.732 1.00 0.00 H new ATOM 0 HB2 TRP A 66 3.613 -9.792 -37.299 1.00 0.00 H new ATOM 0 HB3 TRP A 66 3.934 -8.938 -38.795 1.00 0.00 H new ATOM 0 HD1 TRP A 66 6.316 -9.715 -40.105 1.00 0.00 H new ATOM 0 HE1 TRP A 66 7.375 -12.065 -40.311 1.00 0.00 H new ATOM 0 HE3 TRP A 66 3.933 -11.956 -36.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 7.192 -14.520 -38.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 4.429 -14.318 -35.690 1.00 0.00 H new ATOM 0 HH2 TRP A 66 6.038 -15.582 -37.058 1.00 0.00 H new ATOM 1153 N ILE A 67 5.455 -8.937 -34.823 1.00 0.00 N ATOM 1154 CA ILE A 67 6.100 -9.531 -33.659 1.00 0.00 C ATOM 1155 C ILE A 67 5.084 -10.244 -32.772 1.00 0.00 C ATOM 1156 O ILE A 67 3.892 -10.282 -33.080 1.00 0.00 O ATOM 1157 CB ILE A 67 6.840 -8.471 -32.822 1.00 0.00 C ATOM 1158 CG1 ILE A 67 5.917 -7.285 -32.530 1.00 0.00 C ATOM 1159 CG2 ILE A 67 8.095 -8.007 -33.546 1.00 0.00 C ATOM 1160 CD1 ILE A 67 6.568 -6.205 -31.694 1.00 0.00 C ATOM 0 H ILE A 67 4.577 -8.459 -34.621 1.00 0.00 H new ATOM 0 HA ILE A 67 6.823 -10.255 -34.035 1.00 0.00 H new ATOM 0 HB ILE A 67 7.136 -8.919 -31.873 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.585 -6.852 -33.474 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.027 -7.646 -32.014 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.607 -7.258 -32.942 1.00 0.00 H new ATOM 0 HG22 ILE A 67 8.757 -8.858 -33.708 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.821 -7.573 -34.507 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.857 -5.396 -31.526 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.875 -6.623 -30.735 1.00 0.00 H new ATOM 0 HD13 ILE A 67 7.442 -5.817 -32.217 1.00 0.00 H new ATOM 1172 N THR A 68 5.563 -10.808 -31.668 1.00 0.00 N ATOM 1173 CA THR A 68 4.697 -11.519 -30.736 1.00 0.00 C ATOM 1174 C THR A 68 4.358 -10.651 -29.529 1.00 0.00 C ATOM 1175 O THR A 68 4.679 -9.462 -29.496 1.00 0.00 O ATOM 1176 CB THR A 68 5.352 -12.825 -30.246 1.00 0.00 C ATOM 1177 OG1 THR A 68 6.411 -12.528 -29.329 1.00 0.00 O ATOM 1178 CG2 THR A 68 5.897 -13.628 -31.417 1.00 0.00 C ATOM 0 H THR A 68 6.546 -10.786 -31.397 1.00 0.00 H new ATOM 0 HA THR A 68 3.781 -11.760 -31.276 1.00 0.00 H new ATOM 0 HB THR A 68 4.592 -13.420 -29.740 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.821 -13.363 -29.021 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.355 -14.546 -31.047 1.00 0.00 H new ATOM 0 HG22 THR A 68 5.083 -13.877 -32.098 1.00 0.00 H new ATOM 0 HG23 THR A 68 6.645 -13.037 -31.947 1.00 0.00 H new ATOM 1186 N THR A 69 3.707 -11.252 -28.538 1.00 0.00 N ATOM 1187 CA THR A 69 3.323 -10.533 -27.330 1.00 0.00 C ATOM 1188 C THR A 69 4.525 -10.307 -26.420 1.00 0.00 C ATOM 1189 O THR A 69 4.502 -9.436 -25.549 1.00 0.00 O ATOM 1190 CB THR A 69 2.236 -11.293 -26.546 1.00 0.00 C ATOM 1191 OG1 THR A 69 1.709 -10.460 -25.507 1.00 0.00 O ATOM 1192 CG2 THR A 69 2.797 -12.571 -25.942 1.00 0.00 C ATOM 0 H THR A 69 3.435 -12.235 -28.548 1.00 0.00 H new ATOM 0 HA THR A 69 2.925 -9.569 -27.648 1.00 0.00 H new ATOM 0 HB THR A 69 1.438 -11.558 -27.239 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.075 -9.555 -25.596 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.011 -13.090 -25.394 1.00 0.00 H new ATOM 0 HG22 THR A 69 3.171 -13.216 -26.737 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.612 -12.325 -25.262 1.00 0.00 H new ATOM 1200 N ASP A 70 5.574 -11.095 -26.626 1.00 0.00 N ATOM 1201 CA ASP A 70 6.787 -10.979 -25.825 1.00 0.00 C ATOM 1202 C ASP A 70 7.287 -9.539 -25.802 1.00 0.00 C ATOM 1203 O ASP A 70 7.908 -9.102 -24.832 1.00 0.00 O ATOM 1204 CB ASP A 70 7.876 -11.902 -26.374 1.00 0.00 C ATOM 1205 CG ASP A 70 9.140 -11.867 -25.537 1.00 0.00 C ATOM 1206 OD1 ASP A 70 9.112 -12.377 -24.397 1.00 0.00 O ATOM 1207 OD2 ASP A 70 10.158 -11.330 -26.023 1.00 0.00 O ATOM 0 H ASP A 70 5.609 -11.821 -27.341 1.00 0.00 H new ATOM 0 HA ASP A 70 6.549 -11.278 -24.804 1.00 0.00 H new ATOM 0 HB2 ASP A 70 7.497 -12.923 -26.413 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.113 -11.611 -27.397 1.00 0.00 H new ATOM 1212 N ARG A 71 7.015 -8.806 -26.876 1.00 0.00 N ATOM 1213 CA ARG A 71 7.440 -7.415 -26.980 1.00 0.00 C ATOM 1214 C ARG A 71 6.254 -6.470 -26.805 1.00 0.00 C ATOM 1215 O ARG A 71 6.421 -5.317 -26.406 1.00 0.00 O ATOM 1216 CB ARG A 71 8.111 -7.164 -28.332 1.00 0.00 C ATOM 1217 CG ARG A 71 9.332 -8.035 -28.577 1.00 0.00 C ATOM 1218 CD ARG A 71 10.583 -7.426 -27.963 1.00 0.00 C ATOM 1219 NE ARG A 71 10.782 -7.858 -26.582 1.00 0.00 N ATOM 1220 CZ ARG A 71 11.887 -7.614 -25.888 1.00 0.00 C ATOM 1221 NH1 ARG A 71 12.888 -6.943 -26.442 1.00 0.00 N ATOM 1222 NH2 ARG A 71 11.993 -8.040 -24.636 1.00 0.00 N ATOM 0 H ARG A 71 6.502 -9.152 -27.687 1.00 0.00 H new ATOM 0 HA ARG A 71 8.159 -7.220 -26.184 1.00 0.00 H new ATOM 0 HB2 ARG A 71 7.385 -7.339 -29.126 1.00 0.00 H new ATOM 0 HB3 ARG A 71 8.405 -6.116 -28.393 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.164 -9.026 -28.155 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.478 -8.165 -29.649 1.00 0.00 H new ATOM 0 HD2 ARG A 71 11.452 -7.705 -28.559 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.510 -6.339 -27.996 1.00 0.00 H new ATOM 0 HE ARG A 71 10.031 -8.376 -26.126 1.00 0.00 H new ATOM 0 HH11 ARG A 71 12.810 -6.613 -27.404 1.00 0.00 H new ATOM 0 HH12 ARG A 71 13.736 -6.757 -25.906 1.00 0.00 H new ATOM 0 HH21 ARG A 71 11.225 -8.555 -24.206 1.00 0.00 H new ATOM 0 HH22 ARG A 71 12.842 -7.852 -24.104 1.00 0.00 H new ATOM 1236 N ILE A 72 5.059 -6.966 -27.108 1.00 0.00 N ATOM 1237 CA ILE A 72 3.847 -6.166 -26.984 1.00 0.00 C ATOM 1238 C ILE A 72 3.076 -6.529 -25.720 1.00 0.00 C ATOM 1239 O ILE A 72 2.611 -7.658 -25.567 1.00 0.00 O ATOM 1240 CB ILE A 72 2.925 -6.348 -28.204 1.00 0.00 C ATOM 1241 CG1 ILE A 72 3.650 -5.932 -29.486 1.00 0.00 C ATOM 1242 CG2 ILE A 72 1.647 -5.543 -28.027 1.00 0.00 C ATOM 1243 CD1 ILE A 72 3.058 -6.537 -30.739 1.00 0.00 C ATOM 0 H ILE A 72 4.904 -7.918 -27.441 1.00 0.00 H new ATOM 0 HA ILE A 72 4.161 -5.124 -26.929 1.00 0.00 H new ATOM 0 HB ILE A 72 2.659 -7.402 -28.285 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.626 -4.846 -29.571 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.698 -6.223 -29.412 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.006 -5.682 -28.897 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.124 -5.883 -27.133 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.894 -4.486 -27.923 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.622 -6.198 -31.608 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.106 -7.624 -30.676 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.018 -6.225 -30.837 1.00 0.00 H new ATOM 1255 N ASN A 73 2.943 -5.564 -24.817 1.00 0.00 N ATOM 1256 CA ASN A 73 2.226 -5.781 -23.565 1.00 0.00 C ATOM 1257 C ASN A 73 0.888 -5.048 -23.569 1.00 0.00 C ATOM 1258 O ASN A 73 0.829 -3.843 -23.820 1.00 0.00 O ATOM 1259 CB ASN A 73 3.074 -5.312 -22.380 1.00 0.00 C ATOM 1260 CG ASN A 73 2.679 -5.992 -21.083 1.00 0.00 C ATOM 1261 OD1 ASN A 73 3.365 -6.899 -20.611 1.00 0.00 O ATOM 1262 ND2 ASN A 73 1.569 -5.554 -20.500 1.00 0.00 N ATOM 0 H ASN A 73 3.322 -4.624 -24.928 1.00 0.00 H new ATOM 0 HA ASN A 73 2.034 -6.849 -23.466 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.125 -5.512 -22.587 1.00 0.00 H new ATOM 0 HB3 ASN A 73 2.971 -4.233 -22.267 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.254 -5.972 -19.625 1.00 0.00 H new ATOM 0 HD22 ASN A 73 1.032 -4.800 -20.928 1.00 0.00 H new ATOM 1269 N LEU A 74 -0.183 -5.782 -23.291 1.00 0.00 N ATOM 1270 CA LEU A 74 -1.521 -5.202 -23.262 1.00 0.00 C ATOM 1271 C LEU A 74 -1.564 -3.976 -22.355 1.00 0.00 C ATOM 1272 O LEU A 74 -0.609 -3.693 -21.631 1.00 0.00 O ATOM 1273 CB LEU A 74 -2.538 -6.240 -22.783 1.00 0.00 C ATOM 1274 CG LEU A 74 -3.293 -6.995 -23.877 1.00 0.00 C ATOM 1275 CD1 LEU A 74 -4.274 -6.072 -24.582 1.00 0.00 C ATOM 1276 CD2 LEU A 74 -2.318 -7.603 -24.875 1.00 0.00 C ATOM 0 H LEU A 74 -0.151 -6.780 -23.082 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.777 -4.891 -24.275 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.018 -6.968 -22.160 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.267 -5.738 -22.147 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.857 -7.803 -23.412 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.802 -6.627 -25.357 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.992 -5.684 -23.860 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.732 -5.242 -25.035 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.873 -8.137 -25.647 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.727 -6.811 -25.335 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.655 -8.297 -24.359 1.00 0.00 H new ATOM 1288 N ASP A 75 -2.678 -3.253 -22.399 1.00 0.00 N ATOM 1289 CA ASP A 75 -2.847 -2.059 -21.580 1.00 0.00 C ATOM 1290 C ASP A 75 -3.684 -2.364 -20.341 1.00 0.00 C ATOM 1291 O ASP A 75 -3.299 -2.028 -19.221 1.00 0.00 O ATOM 1292 CB ASP A 75 -3.505 -0.944 -22.394 1.00 0.00 C ATOM 1293 CG ASP A 75 -3.413 0.405 -21.710 1.00 0.00 C ATOM 1294 OD1 ASP A 75 -2.394 1.100 -21.903 1.00 0.00 O ATOM 1295 OD2 ASP A 75 -4.361 0.766 -20.981 1.00 0.00 O ATOM 0 H ASP A 75 -3.477 -3.473 -22.993 1.00 0.00 H new ATOM 0 HA ASP A 75 -1.860 -1.727 -21.257 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.030 -0.884 -23.373 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -4.553 -1.192 -22.563 1.00 0.00 H new ATOM 1300 N LYS A 76 -4.831 -3.001 -20.551 1.00 0.00 N ATOM 1301 CA LYS A 76 -5.723 -3.352 -19.453 1.00 0.00 C ATOM 1302 C LYS A 76 -5.025 -4.274 -18.458 1.00 0.00 C ATOM 1303 O LYS A 76 -4.041 -4.932 -18.794 1.00 0.00 O ATOM 1304 CB LYS A 76 -6.986 -4.027 -19.991 1.00 0.00 C ATOM 1305 CG LYS A 76 -7.921 -3.077 -20.720 1.00 0.00 C ATOM 1306 CD LYS A 76 -8.418 -1.972 -19.804 1.00 0.00 C ATOM 1307 CE LYS A 76 -9.801 -1.488 -20.213 1.00 0.00 C ATOM 1308 NZ LYS A 76 -9.731 -0.421 -21.249 1.00 0.00 N ATOM 0 H LYS A 76 -5.165 -3.285 -21.472 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.001 -2.434 -18.936 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -6.698 -4.831 -20.669 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -7.523 -4.487 -19.162 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.403 -2.638 -21.573 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.771 -3.633 -21.115 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.448 -2.335 -18.777 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.718 -1.137 -19.827 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.381 -2.328 -20.595 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.327 -1.109 -19.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.693 -0.118 -21.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.199 0.391 -20.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.252 -0.790 -22.095 1.00 0.00 H new ATOM 1322 N GLU A 77 -5.542 -4.317 -17.234 1.00 0.00 N ATOM 1323 CA GLU A 77 -4.968 -5.160 -16.192 1.00 0.00 C ATOM 1324 C GLU A 77 -5.074 -6.636 -16.566 1.00 0.00 C ATOM 1325 O GLU A 77 -6.045 -7.060 -17.193 1.00 0.00 O ATOM 1326 CB GLU A 77 -5.671 -4.908 -14.857 1.00 0.00 C ATOM 1327 CG GLU A 77 -7.157 -5.226 -14.882 1.00 0.00 C ATOM 1328 CD GLU A 77 -8.004 -4.025 -15.256 1.00 0.00 C ATOM 1329 OE1 GLU A 77 -7.684 -2.907 -14.799 1.00 0.00 O ATOM 1330 OE2 GLU A 77 -8.987 -4.203 -16.005 1.00 0.00 O ATOM 0 H GLU A 77 -6.357 -3.778 -16.940 1.00 0.00 H new ATOM 0 HA GLU A 77 -3.913 -4.904 -16.093 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.192 -5.510 -14.085 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.536 -3.863 -14.576 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.341 -6.031 -15.593 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.463 -5.591 -13.902 1.00 0.00 H new ATOM 1337 N VAL A 78 -4.069 -7.413 -16.175 1.00 0.00 N ATOM 1338 CA VAL A 78 -4.049 -8.841 -16.468 1.00 0.00 C ATOM 1339 C VAL A 78 -5.294 -9.531 -15.922 1.00 0.00 C ATOM 1340 O VAL A 78 -5.627 -9.394 -14.745 1.00 0.00 O ATOM 1341 CB VAL A 78 -2.798 -9.517 -15.875 1.00 0.00 C ATOM 1342 CG1 VAL A 78 -2.715 -9.266 -14.377 1.00 0.00 C ATOM 1343 CG2 VAL A 78 -2.808 -11.009 -16.174 1.00 0.00 C ATOM 0 H VAL A 78 -3.258 -7.078 -15.655 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.028 -8.942 -17.553 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.914 -9.081 -16.342 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.825 -9.751 -13.976 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.659 -8.194 -14.190 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.601 -9.673 -13.890 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -1.917 -11.471 -15.748 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.697 -11.462 -15.735 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.817 -11.164 -17.253 1.00 0.00 H new ATOM 1353 N LEU A 79 -5.977 -10.274 -16.786 1.00 0.00 N ATOM 1354 CA LEU A 79 -7.187 -10.988 -16.391 1.00 0.00 C ATOM 1355 C LEU A 79 -6.843 -12.239 -15.588 1.00 0.00 C ATOM 1356 O LEU A 79 -6.137 -13.124 -16.070 1.00 0.00 O ATOM 1357 CB LEU A 79 -8.003 -11.371 -17.627 1.00 0.00 C ATOM 1358 CG LEU A 79 -8.947 -10.295 -18.167 1.00 0.00 C ATOM 1359 CD1 LEU A 79 -9.088 -10.418 -19.676 1.00 0.00 C ATOM 1360 CD2 LEU A 79 -10.307 -10.392 -17.492 1.00 0.00 C ATOM 0 H LEU A 79 -5.714 -10.398 -17.764 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.781 -10.326 -15.761 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.312 -11.652 -18.422 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -8.592 -12.257 -17.389 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.521 -9.317 -17.941 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.763 -9.645 -20.043 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.111 -10.298 -20.144 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -9.491 -11.400 -19.925 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.966 -9.619 -17.888 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -10.741 -11.373 -17.686 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.190 -10.253 -16.417 1.00 0.00 H new ATOM 1372 N TYR A 80 -7.349 -12.305 -14.361 1.00 0.00 N ATOM 1373 CA TYR A 80 -7.095 -13.447 -13.491 1.00 0.00 C ATOM 1374 C TYR A 80 -8.395 -14.168 -13.146 1.00 0.00 C ATOM 1375 O TYR A 80 -9.025 -13.911 -12.120 1.00 0.00 O ATOM 1376 CB TYR A 80 -6.396 -12.992 -12.209 1.00 0.00 C ATOM 1377 CG TYR A 80 -4.887 -13.041 -12.292 1.00 0.00 C ATOM 1378 CD1 TYR A 80 -4.216 -14.254 -12.377 1.00 0.00 C ATOM 1379 CD2 TYR A 80 -4.133 -11.874 -12.284 1.00 0.00 C ATOM 1380 CE1 TYR A 80 -2.837 -14.304 -12.453 1.00 0.00 C ATOM 1381 CE2 TYR A 80 -2.755 -11.914 -12.361 1.00 0.00 C ATOM 1382 CZ TYR A 80 -2.111 -13.131 -12.445 1.00 0.00 C ATOM 1383 OH TYR A 80 -0.738 -13.175 -12.520 1.00 0.00 O ATOM 0 H TYR A 80 -7.937 -11.582 -13.947 1.00 0.00 H new ATOM 0 HA TYR A 80 -6.446 -14.141 -14.025 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -6.706 -11.973 -11.978 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -6.727 -13.621 -11.382 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -4.782 -15.174 -12.384 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -4.633 -10.919 -12.216 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.331 -15.256 -12.518 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -2.184 -10.997 -12.355 1.00 0.00 H new ATOM 0 HH TYR A 80 -0.380 -12.263 -12.504 1.00 0.00 H new ATOM 1393 N PRO A 81 -8.806 -15.095 -14.024 1.00 0.00 N ATOM 1394 CA PRO A 81 -10.033 -15.875 -13.836 1.00 0.00 C ATOM 1395 C PRO A 81 -9.916 -16.872 -12.688 1.00 0.00 C ATOM 1396 O PRO A 81 -8.884 -17.524 -12.521 1.00 0.00 O ATOM 1397 CB PRO A 81 -10.195 -16.610 -15.169 1.00 0.00 C ATOM 1398 CG PRO A 81 -8.814 -16.700 -15.721 1.00 0.00 C ATOM 1399 CD PRO A 81 -8.105 -15.454 -15.268 1.00 0.00 C ATOM 0 HA PRO A 81 -10.882 -15.242 -13.577 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.629 -17.599 -15.026 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.856 -16.066 -15.843 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.306 -17.593 -15.357 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -8.832 -16.765 -16.809 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.045 -15.636 -15.093 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -8.174 -14.660 -16.011 1.00 0.00 H new ATOM 1407 N LYS A 82 -10.979 -16.988 -11.900 1.00 0.00 N ATOM 1408 CA LYS A 82 -10.996 -17.908 -10.768 1.00 0.00 C ATOM 1409 C LYS A 82 -12.032 -19.008 -10.977 1.00 0.00 C ATOM 1410 O LYS A 82 -12.942 -19.181 -10.165 1.00 0.00 O ATOM 1411 CB LYS A 82 -11.296 -17.150 -9.473 1.00 0.00 C ATOM 1412 CG LYS A 82 -12.602 -16.375 -9.510 1.00 0.00 C ATOM 1413 CD LYS A 82 -12.392 -14.953 -10.002 1.00 0.00 C ATOM 1414 CE LYS A 82 -13.223 -13.959 -9.205 1.00 0.00 C ATOM 1415 NZ LYS A 82 -12.667 -13.740 -7.841 1.00 0.00 N ATOM 0 H LYS A 82 -11.841 -16.456 -12.024 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.012 -18.370 -10.692 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.327 -17.859 -8.646 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -10.479 -16.458 -9.269 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -13.311 -16.886 -10.162 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -13.043 -16.355 -8.513 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.337 -14.692 -9.924 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -12.659 -14.889 -11.057 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -13.263 -13.009 -9.738 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -14.247 -14.323 -9.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -13.154 -12.939 -7.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -12.807 -14.596 -7.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -11.650 -13.532 -7.910 1.00 0.00 H new ATOM 1429 N LEU A 83 -11.888 -19.750 -12.070 1.00 0.00 N ATOM 1430 CA LEU A 83 -12.811 -20.835 -12.385 1.00 0.00 C ATOM 1431 C LEU A 83 -12.273 -22.170 -11.881 1.00 0.00 C ATOM 1432 O LEU A 83 -11.062 -22.383 -11.825 1.00 0.00 O ATOM 1433 CB LEU A 83 -13.050 -20.905 -13.894 1.00 0.00 C ATOM 1434 CG LEU A 83 -11.834 -21.260 -14.751 1.00 0.00 C ATOM 1435 CD1 LEU A 83 -11.728 -22.766 -14.929 1.00 0.00 C ATOM 1436 CD2 LEU A 83 -11.913 -20.565 -16.102 1.00 0.00 C ATOM 0 H LEU A 83 -11.141 -19.620 -12.753 1.00 0.00 H new ATOM 0 HA LEU A 83 -13.757 -20.633 -11.883 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -13.831 -21.641 -14.084 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.434 -19.940 -14.226 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.937 -20.912 -14.238 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -10.857 -23.000 -15.541 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -11.624 -23.241 -13.954 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -12.627 -23.139 -15.420 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.040 -20.829 -16.699 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.817 -20.882 -16.622 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -11.939 -19.485 -15.955 1.00 0.00 H new ATOM 1448 N LYS A 84 -13.182 -23.068 -11.516 1.00 0.00 N ATOM 1449 CA LYS A 84 -12.801 -24.385 -11.019 1.00 0.00 C ATOM 1450 C LYS A 84 -12.822 -25.417 -12.143 1.00 0.00 C ATOM 1451 O LYS A 84 -13.789 -26.163 -12.295 1.00 0.00 O ATOM 1452 CB LYS A 84 -13.743 -24.821 -9.895 1.00 0.00 C ATOM 1453 CG LYS A 84 -13.740 -23.882 -8.701 1.00 0.00 C ATOM 1454 CD LYS A 84 -12.682 -24.277 -7.684 1.00 0.00 C ATOM 1455 CE LYS A 84 -13.042 -25.577 -6.981 1.00 0.00 C ATOM 1456 NZ LYS A 84 -12.286 -25.749 -5.710 1.00 0.00 N ATOM 0 H LYS A 84 -14.189 -22.908 -11.555 1.00 0.00 H new ATOM 0 HA LYS A 84 -11.786 -24.319 -10.628 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -14.757 -24.891 -10.289 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -13.460 -25.820 -9.562 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -13.558 -22.862 -9.039 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.722 -23.890 -8.228 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -11.719 -24.387 -8.183 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -12.570 -23.482 -6.946 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -14.112 -25.592 -6.772 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -12.834 -26.417 -7.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -12.560 -26.647 -5.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -11.266 -25.760 -5.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -12.503 -24.961 -5.067 1.00 0.00 H new ATOM 1470 N ALA A 85 -11.749 -25.454 -12.926 1.00 0.00 N ATOM 1471 CA ALA A 85 -11.643 -26.397 -14.032 1.00 0.00 C ATOM 1472 C ALA A 85 -11.795 -27.834 -13.546 1.00 0.00 C ATOM 1473 O ALA A 85 -11.579 -28.129 -12.370 1.00 0.00 O ATOM 1474 CB ALA A 85 -10.314 -26.219 -14.752 1.00 0.00 C ATOM 0 H ALA A 85 -10.941 -24.842 -12.815 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.453 -26.191 -14.731 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -10.248 -26.930 -15.576 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -10.245 -25.204 -15.142 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -9.496 -26.396 -14.054 1.00 0.00 H new ATOM 1480 N THR A 86 -12.170 -28.726 -14.457 1.00 0.00 N ATOM 1481 CA THR A 86 -12.353 -30.132 -14.120 1.00 0.00 C ATOM 1482 C THR A 86 -11.014 -30.851 -14.015 1.00 0.00 C ATOM 1483 O THR A 86 -10.321 -31.044 -15.014 1.00 0.00 O ATOM 1484 CB THR A 86 -13.228 -30.851 -15.165 1.00 0.00 C ATOM 1485 OG1 THR A 86 -12.987 -30.303 -16.466 1.00 0.00 O ATOM 1486 CG2 THR A 86 -14.703 -30.718 -14.819 1.00 0.00 C ATOM 0 H THR A 86 -12.353 -28.499 -15.435 1.00 0.00 H new ATOM 0 HA THR A 86 -12.855 -30.162 -13.153 1.00 0.00 H new ATOM 0 HB THR A 86 -12.964 -31.909 -15.162 1.00 0.00 H new ATOM 0 HG1 THR A 86 -13.545 -30.766 -17.125 1.00 0.00 H new ATOM 0 HG21 THR A 86 -15.301 -31.233 -15.571 1.00 0.00 H new ATOM 0 HG22 THR A 86 -14.889 -31.162 -13.841 1.00 0.00 H new ATOM 0 HG23 THR A 86 -14.978 -29.663 -14.797 1.00 0.00 H new ATOM 1494 N ASP A 87 -10.654 -31.247 -12.798 1.00 0.00 N ATOM 1495 CA ASP A 87 -9.397 -31.947 -12.563 1.00 0.00 C ATOM 1496 C ASP A 87 -9.649 -33.404 -12.187 1.00 0.00 C ATOM 1497 O ASP A 87 -10.555 -33.707 -11.412 1.00 0.00 O ATOM 1498 CB ASP A 87 -8.601 -31.252 -11.456 1.00 0.00 C ATOM 1499 CG ASP A 87 -8.585 -29.745 -11.614 1.00 0.00 C ATOM 1500 OD1 ASP A 87 -8.636 -29.269 -12.768 1.00 0.00 O ATOM 1501 OD2 ASP A 87 -8.519 -29.040 -10.585 1.00 0.00 O ATOM 0 H ASP A 87 -11.215 -31.095 -11.960 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.818 -31.923 -13.486 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.031 -31.508 -10.488 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.577 -31.626 -11.459 1.00 0.00 H new ATOM 1506 N GLU A 88 -8.841 -34.301 -12.744 1.00 0.00 N ATOM 1507 CA GLU A 88 -8.979 -35.727 -12.468 1.00 0.00 C ATOM 1508 C GLU A 88 -7.758 -36.497 -12.963 1.00 0.00 C ATOM 1509 O GLU A 88 -7.272 -36.266 -14.071 1.00 0.00 O ATOM 1510 CB GLU A 88 -10.244 -36.276 -13.130 1.00 0.00 C ATOM 1511 CG GLU A 88 -10.853 -37.457 -12.391 1.00 0.00 C ATOM 1512 CD GLU A 88 -11.718 -37.030 -11.221 1.00 0.00 C ATOM 1513 OE1 GLU A 88 -12.452 -36.030 -11.359 1.00 0.00 O ATOM 1514 OE2 GLU A 88 -11.661 -37.699 -10.168 1.00 0.00 O ATOM 0 H GLU A 88 -8.085 -34.066 -13.388 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.056 -35.857 -11.389 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.984 -35.479 -13.197 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.008 -36.579 -14.150 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.453 -38.045 -13.086 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.055 -38.106 -12.030 1.00 0.00 H new ATOM 1521 N ASP A 89 -7.267 -37.411 -12.134 1.00 0.00 N ATOM 1522 CA ASP A 89 -6.103 -38.216 -12.486 1.00 0.00 C ATOM 1523 C ASP A 89 -6.503 -39.666 -12.742 1.00 0.00 C ATOM 1524 O ASP A 89 -6.284 -40.539 -11.900 1.00 0.00 O ATOM 1525 CB ASP A 89 -5.056 -38.152 -11.373 1.00 0.00 C ATOM 1526 CG ASP A 89 -3.735 -38.772 -11.784 1.00 0.00 C ATOM 1527 OD1 ASP A 89 -3.289 -38.518 -12.923 1.00 0.00 O ATOM 1528 OD2 ASP A 89 -3.147 -39.510 -10.967 1.00 0.00 O ATOM 0 H ASP A 89 -7.657 -37.613 -11.213 1.00 0.00 H new ATOM 0 HA ASP A 89 -5.674 -37.809 -13.401 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -4.893 -37.112 -11.091 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -5.436 -38.666 -10.490 1.00 0.00 H new TER 1533 ASP A 89