USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 669 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 89 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 91 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 38 TYR OH : rot 165:sc= 0 USER MOD Set 2.2: A 39 GLN : amide:sc= -2.99 K(o=-3.7,f=-7.8!) USER MOD Set 2.3: A 84 GLN : amide:sc= -0.748 X(o=-3.7,f=-3.5) USER MOD Set 3.1: A 57 MET CE :methyl 162:sc= -0.914 (180deg=-1.79!) USER MOD Set 3.2: A 65 CYS SG : rot -42:sc= 0.0968 USER MOD Set 4.1: A 25 GLN : amide:sc= -0.257 K(o=0.72,f=-0.46!) USER MOD Set 4.2: A 63 CYS SG : rot -34:sc= 0.978 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= -0.0572 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.00086) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -1.65 K(o=-1.7,f=-2.5!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -158:sc= -0.0184 (180deg=-0.756) USER MOD Single : A 43 ASN : amide:sc= 0.00572 X(o=0.0057,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot -30:sc= -0.693 USER MOD Single : A 48 SER OG : rot -49:sc= 0.332 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 37:sc= 0.504 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.118 X(o=-0.12,f=-0.59) USER MOD Single : A 80 GLN : amide:sc= -0.349 X(o=-0.35,f=-0.35) USER MOD Single : A 82 HIS : no HD1:sc= -1.03 K(o=-1,f=-1.9) USER MOD Single : A 90 SER OG : rot -4:sc= 0.969 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.206 5.099 -5.616 1.00 0.00 N ATOM 2 CA GLY A 1 11.100 5.496 -4.544 1.00 0.00 C ATOM 3 C GLY A 1 11.344 4.379 -3.549 1.00 0.00 C ATOM 4 O GLY A 1 10.415 3.910 -2.892 1.00 0.00 O ATOM 0 H1 GLY A 1 10.071 5.897 -6.269 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.618 4.295 -6.132 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.287 4.820 -5.216 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.052 5.815 -4.968 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.679 6.356 -4.024 1.00 0.00 H new ATOM 8 N SER A 2 12.597 3.951 -3.438 1.00 0.00 N ATOM 9 CA SER A 2 12.960 2.877 -2.520 1.00 0.00 C ATOM 10 C SER A 2 13.961 3.368 -1.479 1.00 0.00 C ATOM 11 O SER A 2 15.172 3.229 -1.652 1.00 0.00 O ATOM 12 CB SER A 2 13.547 1.694 -3.291 1.00 0.00 C ATOM 13 OG SER A 2 12.617 1.186 -4.232 1.00 0.00 O ATOM 0 H SER A 2 13.378 4.331 -3.972 1.00 0.00 H new ATOM 0 HA SER A 2 12.056 2.552 -2.005 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.456 2.006 -3.805 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.830 0.906 -2.593 1.00 0.00 H new ATOM 0 HG SER A 2 13.017 0.432 -4.713 1.00 0.00 H new ATOM 19 N SER A 3 13.447 3.943 -0.396 1.00 0.00 N ATOM 20 CA SER A 3 14.295 4.458 0.672 1.00 0.00 C ATOM 21 C SER A 3 14.676 3.348 1.647 1.00 0.00 C ATOM 22 O SER A 3 15.786 3.326 2.177 1.00 0.00 O ATOM 23 CB SER A 3 13.581 5.586 1.419 1.00 0.00 C ATOM 24 OG SER A 3 14.050 6.855 0.997 1.00 0.00 O ATOM 0 H SER A 3 12.447 4.064 -0.235 1.00 0.00 H new ATOM 0 HA SER A 3 15.207 4.850 0.221 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.507 5.517 1.248 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.741 5.474 2.491 1.00 0.00 H new ATOM 0 HG SER A 3 13.577 7.559 1.488 1.00 0.00 H new ATOM 30 N GLY A 4 13.745 2.427 1.878 1.00 0.00 N ATOM 31 CA GLY A 4 14.001 1.327 2.789 1.00 0.00 C ATOM 32 C GLY A 4 13.537 -0.005 2.233 1.00 0.00 C ATOM 33 O GLY A 4 14.282 -0.683 1.526 1.00 0.00 O ATOM 0 H GLY A 4 12.819 2.423 1.451 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.069 1.276 3.002 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.496 1.518 3.736 1.00 0.00 H new ATOM 37 N SER A 5 12.304 -0.382 2.555 1.00 0.00 N ATOM 38 CA SER A 5 11.743 -1.645 2.088 1.00 0.00 C ATOM 39 C SER A 5 10.236 -1.528 1.885 1.00 0.00 C ATOM 40 O SER A 5 9.673 -0.435 1.943 1.00 0.00 O ATOM 41 CB SER A 5 12.050 -2.763 3.085 1.00 0.00 C ATOM 42 OG SER A 5 12.737 -3.832 2.458 1.00 0.00 O ATOM 0 H SER A 5 11.674 0.169 3.138 1.00 0.00 H new ATOM 0 HA SER A 5 12.203 -1.886 1.130 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.653 -2.369 3.903 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.121 -3.130 3.522 1.00 0.00 H new ATOM 0 HG SER A 5 12.923 -4.533 3.117 1.00 0.00 H new ATOM 48 N SER A 6 9.587 -2.664 1.648 1.00 0.00 N ATOM 49 CA SER A 6 8.145 -2.690 1.432 1.00 0.00 C ATOM 50 C SER A 6 7.439 -3.422 2.570 1.00 0.00 C ATOM 51 O SER A 6 6.731 -4.402 2.347 1.00 0.00 O ATOM 52 CB SER A 6 7.820 -3.364 0.098 1.00 0.00 C ATOM 53 OG SER A 6 8.639 -4.501 -0.112 1.00 0.00 O ATOM 0 H SER A 6 10.037 -3.578 1.601 1.00 0.00 H new ATOM 0 HA SER A 6 7.787 -1.661 1.407 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.771 -3.660 0.083 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.963 -2.654 -0.716 1.00 0.00 H new ATOM 0 HG SER A 6 8.410 -4.915 -0.970 1.00 0.00 H new ATOM 59 N GLY A 7 7.639 -2.937 3.792 1.00 0.00 N ATOM 60 CA GLY A 7 7.016 -3.555 4.947 1.00 0.00 C ATOM 61 C GLY A 7 6.482 -2.536 5.933 1.00 0.00 C ATOM 62 O GLY A 7 6.425 -2.796 7.134 1.00 0.00 O ATOM 0 H GLY A 7 8.222 -2.127 4.002 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.200 -4.197 4.615 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.742 -4.195 5.448 1.00 0.00 H new ATOM 66 N GLN A 8 6.090 -1.372 5.425 1.00 0.00 N ATOM 67 CA GLN A 8 5.560 -0.309 6.271 1.00 0.00 C ATOM 68 C GLN A 8 6.590 0.125 7.309 1.00 0.00 C ATOM 69 O GLN A 8 7.739 -0.315 7.279 1.00 0.00 O ATOM 70 CB GLN A 8 4.281 -0.774 6.968 1.00 0.00 C ATOM 71 CG GLN A 8 3.249 -1.360 6.018 1.00 0.00 C ATOM 72 CD GLN A 8 1.828 -1.007 6.410 1.00 0.00 C ATOM 73 OE1 GLN A 8 1.125 -0.308 5.678 1.00 0.00 O ATOM 74 NE2 GLN A 8 1.396 -1.489 7.569 1.00 0.00 N ATOM 0 H GLN A 8 6.129 -1.141 4.432 1.00 0.00 H new ATOM 0 HA GLN A 8 5.329 0.546 5.636 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.537 -1.522 7.719 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.838 0.070 7.497 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.444 -0.999 5.008 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.357 -2.444 5.995 1.00 0.00 H new ATOM 0 HE21 GLN A 8 2.012 -2.064 8.144 1.00 0.00 H new ATOM 0 HE22 GLN A 8 0.448 -1.285 7.885 1.00 0.00 H new ATOM 83 N MET A 9 6.170 0.992 8.225 1.00 0.00 N ATOM 84 CA MET A 9 7.057 1.484 9.273 1.00 0.00 C ATOM 85 C MET A 9 6.542 1.086 10.652 1.00 0.00 C ATOM 86 O MET A 9 7.241 0.423 11.419 1.00 0.00 O ATOM 87 CB MET A 9 7.189 3.006 9.185 1.00 0.00 C ATOM 88 CG MET A 9 7.784 3.489 7.872 1.00 0.00 C ATOM 89 SD MET A 9 7.647 5.275 7.663 1.00 0.00 S ATOM 90 CE MET A 9 8.103 5.450 5.940 1.00 0.00 C ATOM 0 H MET A 9 5.222 1.368 8.263 1.00 0.00 H new ATOM 0 HA MET A 9 8.038 1.032 9.127 1.00 0.00 H new ATOM 0 HB2 MET A 9 6.205 3.456 9.316 1.00 0.00 H new ATOM 0 HB3 MET A 9 7.812 3.357 10.008 1.00 0.00 H new ATOM 0 HG2 MET A 9 8.834 3.201 7.826 1.00 0.00 H new ATOM 0 HG3 MET A 9 7.280 2.990 7.044 1.00 0.00 H new ATOM 0 HE1 MET A 9 8.066 6.502 5.659 1.00 0.00 H new ATOM 0 HE2 MET A 9 9.114 5.070 5.791 1.00 0.00 H new ATOM 0 HE3 MET A 9 7.407 4.884 5.320 1.00 0.00 H new ATOM 100 N SER A 10 5.315 1.495 10.962 1.00 0.00 N ATOM 101 CA SER A 10 4.709 1.184 12.251 1.00 0.00 C ATOM 102 C SER A 10 5.562 1.721 13.396 1.00 0.00 C ATOM 103 O SER A 10 5.776 1.038 14.399 1.00 0.00 O ATOM 104 CB SER A 10 4.526 -0.327 12.401 1.00 0.00 C ATOM 105 OG SER A 10 4.443 -0.959 11.135 1.00 0.00 O ATOM 0 H SER A 10 4.722 2.042 10.338 1.00 0.00 H new ATOM 0 HA SER A 10 3.732 1.667 12.292 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.361 -0.743 12.965 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.621 -0.532 12.973 1.00 0.00 H new ATOM 0 HG SER A 10 4.328 -1.924 11.258 1.00 0.00 H new ATOM 111 N LEU A 11 6.046 2.948 13.240 1.00 0.00 N ATOM 112 CA LEU A 11 6.876 3.578 14.261 1.00 0.00 C ATOM 113 C LEU A 11 6.143 4.745 14.915 1.00 0.00 C ATOM 114 O LEU A 11 6.597 5.887 14.854 1.00 0.00 O ATOM 115 CB LEU A 11 8.190 4.066 13.648 1.00 0.00 C ATOM 116 CG LEU A 11 9.283 3.010 13.475 1.00 0.00 C ATOM 117 CD1 LEU A 11 10.321 3.476 12.466 1.00 0.00 C ATOM 118 CD2 LEU A 11 9.939 2.698 14.813 1.00 0.00 C ATOM 0 H LEU A 11 5.878 3.526 12.417 1.00 0.00 H new ATOM 0 HA LEU A 11 7.093 2.834 15.027 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.973 4.499 12.672 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.583 4.868 14.272 1.00 0.00 H new ATOM 0 HG LEU A 11 8.823 2.097 13.096 1.00 0.00 H new ATOM 0 HD11 LEU A 11 11.090 2.712 12.356 1.00 0.00 H new ATOM 0 HD12 LEU A 11 9.841 3.648 11.503 1.00 0.00 H new ATOM 0 HD13 LEU A 11 10.777 4.403 12.815 1.00 0.00 H new ATOM 0 HD21 LEU A 11 10.714 1.945 14.671 1.00 0.00 H new ATOM 0 HD22 LEU A 11 10.385 3.606 15.220 1.00 0.00 H new ATOM 0 HD23 LEU A 11 9.188 2.320 15.507 1.00 0.00 H new ATOM 130 N GLU A 12 5.009 4.448 15.542 1.00 0.00 N ATOM 131 CA GLU A 12 4.215 5.473 16.209 1.00 0.00 C ATOM 132 C GLU A 12 4.115 5.196 17.706 1.00 0.00 C ATOM 133 O GLU A 12 4.115 4.043 18.136 1.00 0.00 O ATOM 134 CB GLU A 12 2.814 5.542 15.598 1.00 0.00 C ATOM 135 CG GLU A 12 2.816 5.714 14.088 1.00 0.00 C ATOM 136 CD GLU A 12 1.419 5.721 13.499 1.00 0.00 C ATOM 137 OE1 GLU A 12 0.481 6.151 14.202 1.00 0.00 O ATOM 138 OE2 GLU A 12 1.264 5.297 12.335 1.00 0.00 O ATOM 0 H GLU A 12 4.620 3.507 15.602 1.00 0.00 H new ATOM 0 HA GLU A 12 4.714 6.432 16.067 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.271 4.631 15.851 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.271 6.372 16.049 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.318 6.647 13.833 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.393 4.908 13.635 1.00 0.00 H new ATOM 145 N GLY A 13 4.032 6.262 18.496 1.00 0.00 N ATOM 146 CA GLY A 13 3.934 6.114 19.936 1.00 0.00 C ATOM 147 C GLY A 13 3.309 7.323 20.602 1.00 0.00 C ATOM 148 O GLY A 13 3.884 8.412 20.597 1.00 0.00 O ATOM 0 H GLY A 13 4.031 7.226 18.164 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.342 5.229 20.168 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.929 5.949 20.350 1.00 0.00 H new ATOM 152 N THR A 14 2.125 7.134 21.178 1.00 0.00 N ATOM 153 CA THR A 14 1.420 8.218 21.849 1.00 0.00 C ATOM 154 C THR A 14 0.604 7.698 23.027 1.00 0.00 C ATOM 155 O THR A 14 -0.286 6.865 22.857 1.00 0.00 O ATOM 156 CB THR A 14 0.483 8.964 20.880 1.00 0.00 C ATOM 157 OG1 THR A 14 -0.270 9.953 21.590 1.00 0.00 O ATOM 158 CG2 THR A 14 -0.466 7.994 20.191 1.00 0.00 C ATOM 0 H THR A 14 1.635 6.240 21.193 1.00 0.00 H new ATOM 0 HA THR A 14 2.179 8.910 22.214 1.00 0.00 H new ATOM 0 HB THR A 14 1.095 9.451 20.120 1.00 0.00 H new ATOM 0 HG1 THR A 14 -0.862 10.424 20.966 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.118 8.543 19.512 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.110 7.260 19.627 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.071 7.483 20.940 1.00 0.00 H new ATOM 166 N GLU A 15 0.914 8.195 24.221 1.00 0.00 N ATOM 167 CA GLU A 15 0.208 7.778 25.427 1.00 0.00 C ATOM 168 C GLU A 15 -0.519 8.958 26.066 1.00 0.00 C ATOM 169 O GLU A 15 -0.087 10.105 25.952 1.00 0.00 O ATOM 170 CB GLU A 15 1.186 7.163 26.430 1.00 0.00 C ATOM 171 CG GLU A 15 0.724 5.829 26.991 1.00 0.00 C ATOM 172 CD GLU A 15 1.561 4.666 26.495 1.00 0.00 C ATOM 173 OE1 GLU A 15 1.676 4.503 25.262 1.00 0.00 O ATOM 174 OE2 GLU A 15 2.099 3.919 27.338 1.00 0.00 O ATOM 0 H GLU A 15 1.648 8.886 24.379 1.00 0.00 H new ATOM 0 HA GLU A 15 -0.531 7.028 25.145 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.153 7.029 25.946 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.336 7.861 27.253 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.765 5.863 28.080 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.318 5.665 26.716 1.00 0.00 H new ATOM 181 N LYS A 16 -1.628 8.667 26.738 1.00 0.00 N ATOM 182 CA LYS A 16 -2.417 9.701 27.397 1.00 0.00 C ATOM 183 C LYS A 16 -2.855 10.769 26.400 1.00 0.00 C ATOM 184 O LYS A 16 -2.586 10.662 25.204 1.00 0.00 O ATOM 185 CB LYS A 16 -1.611 10.345 28.528 1.00 0.00 C ATOM 186 CG LYS A 16 -1.017 9.339 29.499 1.00 0.00 C ATOM 187 CD LYS A 16 -2.098 8.630 30.297 1.00 0.00 C ATOM 188 CE LYS A 16 -2.143 7.144 29.977 1.00 0.00 C ATOM 189 NZ LYS A 16 -1.013 6.406 30.606 1.00 0.00 N ATOM 0 H LYS A 16 -2.001 7.723 26.840 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.307 9.231 27.815 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.806 10.940 28.096 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.255 11.031 29.077 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.429 8.605 28.949 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.335 9.848 30.180 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.915 8.768 31.363 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.067 9.080 30.079 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.088 6.726 30.325 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.111 7.004 28.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.080 5.397 30.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.111 6.787 30.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.058 6.518 31.639 1.00 0.00 H new ATOM 203 N ALA A 17 -3.530 11.799 26.901 1.00 0.00 N ATOM 204 CA ALA A 17 -4.002 12.887 26.054 1.00 0.00 C ATOM 205 C ALA A 17 -4.428 14.089 26.891 1.00 0.00 C ATOM 206 O ALA A 17 -5.101 13.940 27.911 1.00 0.00 O ATOM 207 CB ALA A 17 -5.155 12.415 25.180 1.00 0.00 C ATOM 0 H ALA A 17 -3.762 11.902 27.889 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.178 13.198 25.412 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.497 13.238 24.553 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.820 11.593 24.548 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.975 12.075 25.812 1.00 0.00 H new ATOM 213 N SER A 18 -4.031 15.279 26.454 1.00 0.00 N ATOM 214 CA SER A 18 -4.368 16.507 27.165 1.00 0.00 C ATOM 215 C SER A 18 -5.879 16.704 27.222 1.00 0.00 C ATOM 216 O SER A 18 -6.386 17.465 28.046 1.00 0.00 O ATOM 217 CB SER A 18 -3.709 17.711 26.489 1.00 0.00 C ATOM 218 OG SER A 18 -2.358 17.848 26.895 1.00 0.00 O ATOM 0 H SER A 18 -3.475 15.419 25.610 1.00 0.00 H new ATOM 0 HA SER A 18 -3.992 16.422 28.185 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.757 17.595 25.406 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.260 18.618 26.737 1.00 0.00 H new ATOM 0 HG SER A 18 -1.959 18.623 26.448 1.00 0.00 H new ATOM 224 N TRP A 19 -6.593 16.014 26.339 1.00 0.00 N ATOM 225 CA TRP A 19 -8.047 16.113 26.288 1.00 0.00 C ATOM 226 C TRP A 19 -8.698 14.817 26.758 1.00 0.00 C ATOM 227 O TRP A 19 -9.874 14.568 26.488 1.00 0.00 O ATOM 228 CB TRP A 19 -8.506 16.443 24.867 1.00 0.00 C ATOM 229 CG TRP A 19 -7.809 15.635 23.814 1.00 0.00 C ATOM 230 CD1 TRP A 19 -6.675 15.979 23.134 1.00 0.00 C ATOM 231 CD2 TRP A 19 -8.200 14.349 23.322 1.00 0.00 C ATOM 232 NE1 TRP A 19 -6.339 14.984 22.248 1.00 0.00 N ATOM 233 CE2 TRP A 19 -7.258 13.972 22.345 1.00 0.00 C ATOM 234 CE3 TRP A 19 -9.254 13.478 23.613 1.00 0.00 C ATOM 235 CZ2 TRP A 19 -7.341 12.764 21.658 1.00 0.00 C ATOM 236 CZ3 TRP A 19 -9.334 12.279 22.930 1.00 0.00 C ATOM 237 CH2 TRP A 19 -8.383 11.931 21.962 1.00 0.00 C ATOM 0 H TRP A 19 -6.189 15.381 25.649 1.00 0.00 H new ATOM 0 HA TRP A 19 -8.356 16.916 26.958 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -9.580 16.275 24.792 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -8.335 17.502 24.674 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -6.124 16.897 23.272 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -5.536 14.997 21.620 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -9.992 13.737 24.358 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -6.609 12.494 20.911 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -10.144 11.598 23.146 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -8.474 10.987 21.446 1.00 0.00 H new ATOM 248 N LEU A 20 -7.928 13.995 27.462 1.00 0.00 N ATOM 249 CA LEU A 20 -8.431 12.723 27.970 1.00 0.00 C ATOM 250 C LEU A 20 -8.645 12.786 29.479 1.00 0.00 C ATOM 251 O LEU A 20 -7.713 13.049 30.238 1.00 0.00 O ATOM 252 CB LEU A 20 -7.457 11.594 27.628 1.00 0.00 C ATOM 253 CG LEU A 20 -7.872 10.674 26.479 1.00 0.00 C ATOM 254 CD1 LEU A 20 -6.815 9.607 26.241 1.00 0.00 C ATOM 255 CD2 LEU A 20 -9.222 10.035 26.770 1.00 0.00 C ATOM 0 H LEU A 20 -6.953 14.186 27.694 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.391 12.523 27.494 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -6.492 12.036 27.382 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.311 10.985 28.520 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.963 11.273 25.573 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.128 8.962 25.420 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.868 10.083 25.988 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.691 9.010 27.144 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -9.502 9.384 25.942 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -9.157 9.449 27.687 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -9.975 10.814 26.890 1.00 0.00 H new ATOM 267 N GLY A 21 -9.879 12.539 29.907 1.00 0.00 N ATOM 268 CA GLY A 21 -10.193 12.571 31.324 1.00 0.00 C ATOM 269 C GLY A 21 -11.126 13.709 31.686 1.00 0.00 C ATOM 270 O GLY A 21 -11.762 13.687 32.739 1.00 0.00 O ATOM 0 H GLY A 21 -10.667 12.317 29.298 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -10.650 11.625 31.613 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.270 12.667 31.895 1.00 0.00 H new ATOM 274 N GLU A 22 -11.208 14.707 30.811 1.00 0.00 N ATOM 275 CA GLU A 22 -12.069 15.860 31.046 1.00 0.00 C ATOM 276 C GLU A 22 -13.085 16.018 29.920 1.00 0.00 C ATOM 277 O GLU A 22 -12.780 15.764 28.755 1.00 0.00 O ATOM 278 CB GLU A 22 -11.230 17.133 31.174 1.00 0.00 C ATOM 279 CG GLU A 22 -11.992 18.307 31.764 1.00 0.00 C ATOM 280 CD GLU A 22 -12.301 18.121 33.237 1.00 0.00 C ATOM 281 OE1 GLU A 22 -11.349 18.115 34.046 1.00 0.00 O ATOM 282 OE2 GLU A 22 -13.493 17.982 33.580 1.00 0.00 O ATOM 0 H GLU A 22 -10.689 14.740 29.934 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.609 15.694 31.978 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.361 16.924 31.798 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.855 17.412 30.189 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.408 19.218 31.631 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.924 18.443 31.215 1.00 0.00 H new ATOM 289 N GLN A 23 -14.294 16.440 30.277 1.00 0.00 N ATOM 290 CA GLN A 23 -15.357 16.631 29.296 1.00 0.00 C ATOM 291 C GLN A 23 -14.948 17.656 28.244 1.00 0.00 C ATOM 292 O GLN A 23 -14.040 18.462 28.447 1.00 0.00 O ATOM 293 CB GLN A 23 -16.645 17.079 29.989 1.00 0.00 C ATOM 294 CG GLN A 23 -17.508 15.926 30.474 1.00 0.00 C ATOM 295 CD GLN A 23 -18.705 16.391 31.279 1.00 0.00 C ATOM 296 OE1 GLN A 23 -18.557 17.069 32.297 1.00 0.00 O ATOM 297 NE2 GLN A 23 -19.900 16.029 30.828 1.00 0.00 N ATOM 0 H GLN A 23 -14.562 16.656 31.237 1.00 0.00 H new ATOM 0 HA GLN A 23 -15.534 15.678 28.798 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -16.389 17.713 30.838 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -17.225 17.691 29.298 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -17.854 15.350 29.616 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -16.903 15.256 31.084 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -19.976 15.467 29.980 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -20.742 16.313 31.329 1.00 0.00 H new ATOM 306 N PRO A 24 -15.633 17.627 27.091 1.00 0.00 N ATOM 307 CA PRO A 24 -15.359 18.547 25.984 1.00 0.00 C ATOM 308 C PRO A 24 -15.771 19.980 26.305 1.00 0.00 C ATOM 309 O PRO A 24 -15.468 20.905 25.552 1.00 0.00 O ATOM 310 CB PRO A 24 -16.211 17.990 24.840 1.00 0.00 C ATOM 311 CG PRO A 24 -17.316 17.254 25.515 1.00 0.00 C ATOM 312 CD PRO A 24 -16.728 16.693 26.780 1.00 0.00 C ATOM 0 HA PRO A 24 -14.295 18.602 25.754 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.596 18.790 24.208 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -15.629 17.329 24.198 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.151 17.919 25.734 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.701 16.458 24.877 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -17.464 16.655 27.583 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -16.361 15.677 26.636 1.00 0.00 H new ATOM 320 N GLN A 25 -16.461 20.154 27.427 1.00 0.00 N ATOM 321 CA GLN A 25 -16.914 21.475 27.847 1.00 0.00 C ATOM 322 C GLN A 25 -15.821 22.205 28.621 1.00 0.00 C ATOM 323 O GLN A 25 -15.804 23.434 28.682 1.00 0.00 O ATOM 324 CB GLN A 25 -18.173 21.356 28.708 1.00 0.00 C ATOM 325 CG GLN A 25 -19.210 20.400 28.141 1.00 0.00 C ATOM 326 CD GLN A 25 -20.604 20.995 28.124 1.00 0.00 C ATOM 327 OE1 GLN A 25 -20.774 22.202 27.956 1.00 0.00 O ATOM 328 NE2 GLN A 25 -21.611 20.147 28.298 1.00 0.00 N ATOM 0 H GLN A 25 -16.719 19.398 28.061 1.00 0.00 H new ATOM 0 HA GLN A 25 -17.148 22.053 26.953 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -17.890 21.022 29.706 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -18.623 22.343 28.818 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -18.926 20.121 27.126 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -19.217 19.485 28.733 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -21.424 19.154 28.434 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -22.572 20.489 28.296 1.00 0.00 H new ATOM 337 N PHE A 26 -14.910 21.439 29.213 1.00 0.00 N ATOM 338 CA PHE A 26 -13.814 22.012 29.985 1.00 0.00 C ATOM 339 C PHE A 26 -12.482 21.815 29.267 1.00 0.00 C ATOM 340 O PHE A 26 -11.489 21.419 29.877 1.00 0.00 O ATOM 341 CB PHE A 26 -13.755 21.378 31.376 1.00 0.00 C ATOM 342 CG PHE A 26 -15.025 21.539 32.162 1.00 0.00 C ATOM 343 CD1 PHE A 26 -16.067 20.638 32.011 1.00 0.00 C ATOM 344 CD2 PHE A 26 -15.177 22.590 33.052 1.00 0.00 C ATOM 345 CE1 PHE A 26 -17.237 20.784 32.733 1.00 0.00 C ATOM 346 CE2 PHE A 26 -16.344 22.741 33.776 1.00 0.00 C ATOM 347 CZ PHE A 26 -17.375 21.836 33.617 1.00 0.00 C ATOM 0 H PHE A 26 -14.909 20.420 29.173 1.00 0.00 H new ATOM 0 HA PHE A 26 -13.996 23.082 30.089 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -13.533 20.316 31.273 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -12.932 21.823 31.935 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -15.964 19.813 31.322 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -14.373 23.300 33.181 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -18.042 20.076 32.606 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -16.450 23.566 34.465 1.00 0.00 H new ATOM 0 HZ PHE A 26 -18.288 21.951 34.183 1.00 0.00 H new ATOM 357 N TRP A 27 -12.470 22.093 27.969 1.00 0.00 N ATOM 358 CA TRP A 27 -11.260 21.946 27.167 1.00 0.00 C ATOM 359 C TRP A 27 -10.551 23.285 27.001 1.00 0.00 C ATOM 360 O TRP A 27 -11.124 24.340 27.274 1.00 0.00 O ATOM 361 CB TRP A 27 -11.601 21.362 25.795 1.00 0.00 C ATOM 362 CG TRP A 27 -11.711 19.867 25.796 1.00 0.00 C ATOM 363 CD1 TRP A 27 -11.668 19.043 26.885 1.00 0.00 C ATOM 364 CD2 TRP A 27 -11.878 19.019 24.655 1.00 0.00 C ATOM 365 NE1 TRP A 27 -11.800 17.734 26.489 1.00 0.00 N ATOM 366 CE2 TRP A 27 -11.931 17.693 25.126 1.00 0.00 C ATOM 367 CE3 TRP A 27 -11.991 19.252 23.282 1.00 0.00 C ATOM 368 CZ2 TRP A 27 -12.090 16.606 24.271 1.00 0.00 C ATOM 369 CZ3 TRP A 27 -12.149 18.171 22.434 1.00 0.00 C ATOM 370 CH2 TRP A 27 -12.198 16.862 22.931 1.00 0.00 C ATOM 0 H TRP A 27 -13.284 22.421 27.449 1.00 0.00 H new ATOM 0 HA TRP A 27 -10.589 21.263 27.688 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -12.543 21.788 25.451 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -10.835 21.662 25.080 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -11.548 19.372 27.907 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -11.800 16.924 27.109 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -11.956 20.258 22.890 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -12.127 15.596 24.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -12.236 18.339 21.371 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -12.323 16.039 22.243 1.00 0.00 H new ATOM 381 N SER A 28 -9.301 23.236 26.552 1.00 0.00 N ATOM 382 CA SER A 28 -8.512 24.447 26.353 1.00 0.00 C ATOM 383 C SER A 28 -8.236 24.677 24.870 1.00 0.00 C ATOM 384 O SER A 28 -8.469 23.800 24.039 1.00 0.00 O ATOM 385 CB SER A 28 -7.192 24.353 27.121 1.00 0.00 C ATOM 386 OG SER A 28 -6.639 25.638 27.343 1.00 0.00 O ATOM 0 H SER A 28 -8.813 22.371 26.319 1.00 0.00 H new ATOM 0 HA SER A 28 -9.086 25.292 26.734 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.358 23.855 28.076 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.485 23.741 26.561 1.00 0.00 H new ATOM 0 HG SER A 28 -5.797 25.551 27.837 1.00 0.00 H new ATOM 392 N LYS A 29 -7.737 25.865 24.546 1.00 0.00 N ATOM 393 CA LYS A 29 -7.426 26.214 23.165 1.00 0.00 C ATOM 394 C LYS A 29 -6.416 25.237 22.571 1.00 0.00 C ATOM 395 O LYS A 29 -6.370 25.037 21.356 1.00 0.00 O ATOM 396 CB LYS A 29 -6.877 27.640 23.088 1.00 0.00 C ATOM 397 CG LYS A 29 -7.947 28.711 23.211 1.00 0.00 C ATOM 398 CD LYS A 29 -7.466 29.887 24.045 1.00 0.00 C ATOM 399 CE LYS A 29 -8.525 30.976 24.136 1.00 0.00 C ATOM 400 NZ LYS A 29 -7.921 32.321 24.344 1.00 0.00 N ATOM 0 H LYS A 29 -7.539 26.603 25.222 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.347 26.154 22.586 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.141 27.780 23.880 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.354 27.768 22.141 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.230 29.060 22.218 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.841 28.283 23.665 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.209 29.543 25.047 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.557 30.298 23.606 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.119 30.982 23.222 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.206 30.753 24.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.675 33.035 24.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.375 32.323 25.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.291 32.545 23.548 1.00 0.00 H new ATOM 414 N THR A 30 -5.609 24.629 23.435 1.00 0.00 N ATOM 415 CA THR A 30 -4.601 23.672 22.995 1.00 0.00 C ATOM 416 C THR A 30 -5.189 22.271 22.872 1.00 0.00 C ATOM 417 O THR A 30 -4.933 21.565 21.897 1.00 0.00 O ATOM 418 CB THR A 30 -3.406 23.631 23.966 1.00 0.00 C ATOM 419 OG1 THR A 30 -3.027 24.962 24.333 1.00 0.00 O ATOM 420 CG2 THR A 30 -2.220 22.917 23.334 1.00 0.00 C ATOM 0 H THR A 30 -5.634 24.782 24.443 1.00 0.00 H new ATOM 0 HA THR A 30 -4.255 24.004 22.016 1.00 0.00 H new ATOM 0 HB THR A 30 -3.709 23.081 24.857 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.268 24.927 24.952 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.388 22.900 24.038 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.503 21.895 23.082 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.919 23.444 22.429 1.00 0.00 H new ATOM 428 N GLN A 31 -5.978 21.876 23.865 1.00 0.00 N ATOM 429 CA GLN A 31 -6.602 20.558 23.867 1.00 0.00 C ATOM 430 C GLN A 31 -7.390 20.328 22.581 1.00 0.00 C ATOM 431 O GLN A 31 -7.242 19.296 21.926 1.00 0.00 O ATOM 432 CB GLN A 31 -7.524 20.408 25.078 1.00 0.00 C ATOM 433 CG GLN A 31 -6.835 20.683 26.405 1.00 0.00 C ATOM 434 CD GLN A 31 -7.778 20.569 27.587 1.00 0.00 C ATOM 435 OE1 GLN A 31 -7.795 21.430 28.467 1.00 0.00 O ATOM 436 NE2 GLN A 31 -8.569 19.503 27.613 1.00 0.00 N ATOM 0 H GLN A 31 -6.201 22.449 24.679 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.812 19.810 23.927 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.368 21.089 24.968 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.930 19.397 25.092 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.010 19.982 26.534 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.403 21.683 26.385 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -8.521 18.814 26.862 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.224 19.373 28.384 1.00 0.00 H new ATOM 445 N VAL A 32 -8.230 21.296 22.226 1.00 0.00 N ATOM 446 CA VAL A 32 -9.041 21.199 21.019 1.00 0.00 C ATOM 447 C VAL A 32 -8.182 20.863 19.805 1.00 0.00 C ATOM 448 O VAL A 32 -8.345 19.809 19.188 1.00 0.00 O ATOM 449 CB VAL A 32 -9.803 22.510 20.748 1.00 0.00 C ATOM 450 CG1 VAL A 32 -10.630 22.394 19.477 1.00 0.00 C ATOM 451 CG2 VAL A 32 -10.683 22.869 21.935 1.00 0.00 C ATOM 0 H VAL A 32 -8.366 22.156 22.758 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.760 20.397 21.185 1.00 0.00 H new ATOM 0 HB VAL A 32 -9.076 23.310 20.608 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -11.161 23.330 19.302 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.972 22.187 18.633 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -11.350 21.583 19.584 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.214 23.798 21.727 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -11.404 22.070 22.108 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -10.063 22.997 22.822 1.00 0.00 H new ATOM 461 N LEU A 33 -7.267 21.765 19.467 1.00 0.00 N ATOM 462 CA LEU A 33 -6.380 21.564 18.326 1.00 0.00 C ATOM 463 C LEU A 33 -5.634 20.239 18.442 1.00 0.00 C ATOM 464 O LEU A 33 -5.444 19.533 17.452 1.00 0.00 O ATOM 465 CB LEU A 33 -5.382 22.718 18.223 1.00 0.00 C ATOM 466 CG LEU A 33 -5.976 24.096 17.931 1.00 0.00 C ATOM 467 CD1 LEU A 33 -4.946 25.186 18.183 1.00 0.00 C ATOM 468 CD2 LEU A 33 -6.488 24.164 16.499 1.00 0.00 C ATOM 0 H LEU A 33 -7.120 22.642 19.966 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.990 21.537 17.423 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.826 22.775 19.159 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.663 22.481 17.439 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.818 24.257 18.605 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.387 26.160 17.970 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.628 25.152 19.225 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.084 25.029 17.535 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.907 25.152 16.309 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.664 23.981 15.809 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.259 23.408 16.352 1.00 0.00 H new ATOM 480 N ASP A 34 -5.215 19.907 19.658 1.00 0.00 N ATOM 481 CA ASP A 34 -4.492 18.665 19.905 1.00 0.00 C ATOM 482 C ASP A 34 -5.375 17.456 19.616 1.00 0.00 C ATOM 483 O ASP A 34 -4.883 16.391 19.241 1.00 0.00 O ATOM 484 CB ASP A 34 -3.997 18.617 21.352 1.00 0.00 C ATOM 485 CG ASP A 34 -2.672 19.331 21.535 1.00 0.00 C ATOM 486 OD1 ASP A 34 -2.435 20.331 20.826 1.00 0.00 O ATOM 487 OD2 ASP A 34 -1.872 18.890 22.387 1.00 0.00 O ATOM 0 H ASP A 34 -5.364 20.481 20.488 1.00 0.00 H new ATOM 0 HA ASP A 34 -3.633 18.634 19.234 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.744 19.071 22.004 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.892 17.577 21.663 1.00 0.00 H new ATOM 492 N TRP A 35 -6.680 17.626 19.794 1.00 0.00 N ATOM 493 CA TRP A 35 -7.631 16.548 19.553 1.00 0.00 C ATOM 494 C TRP A 35 -7.863 16.350 18.060 1.00 0.00 C ATOM 495 O TRP A 35 -8.083 15.229 17.599 1.00 0.00 O ATOM 496 CB TRP A 35 -8.958 16.845 20.253 1.00 0.00 C ATOM 497 CG TRP A 35 -10.047 15.878 19.899 1.00 0.00 C ATOM 498 CD1 TRP A 35 -10.166 14.586 20.325 1.00 0.00 C ATOM 499 CD2 TRP A 35 -11.167 16.125 19.043 1.00 0.00 C ATOM 500 NE1 TRP A 35 -11.294 14.015 19.786 1.00 0.00 N ATOM 501 CE2 TRP A 35 -11.926 14.939 18.996 1.00 0.00 C ATOM 502 CE3 TRP A 35 -11.605 17.233 18.313 1.00 0.00 C ATOM 503 CZ2 TRP A 35 -13.095 14.832 18.247 1.00 0.00 C ATOM 504 CZ3 TRP A 35 -12.766 17.126 17.570 1.00 0.00 C ATOM 505 CH2 TRP A 35 -13.500 15.933 17.542 1.00 0.00 C ATOM 0 H TRP A 35 -7.104 18.500 20.104 1.00 0.00 H new ATOM 0 HA TRP A 35 -7.211 15.629 19.961 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -8.803 16.827 21.332 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -9.279 17.854 19.994 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -9.475 14.086 20.988 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -11.609 13.059 19.948 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -11.046 18.157 18.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -13.662 13.913 18.223 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -13.113 17.976 17.002 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -14.403 15.881 16.952 1.00 0.00 H new ATOM 516 N ILE A 36 -7.814 17.445 17.308 1.00 0.00 N ATOM 517 CA ILE A 36 -8.017 17.390 15.865 1.00 0.00 C ATOM 518 C ILE A 36 -6.971 16.505 15.196 1.00 0.00 C ATOM 519 O ILE A 36 -7.307 15.589 14.445 1.00 0.00 O ATOM 520 CB ILE A 36 -7.965 18.794 15.236 1.00 0.00 C ATOM 521 CG1 ILE A 36 -9.015 19.704 15.876 1.00 0.00 C ATOM 522 CG2 ILE A 36 -8.177 18.708 13.732 1.00 0.00 C ATOM 523 CD1 ILE A 36 -8.988 21.122 15.351 1.00 0.00 C ATOM 0 H ILE A 36 -7.636 18.380 17.674 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.007 16.964 15.701 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.980 19.222 15.421 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.004 19.280 15.704 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.859 19.722 16.955 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.138 19.708 13.301 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.395 18.091 13.289 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.150 18.263 13.527 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.759 21.709 15.850 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.011 21.564 15.547 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.174 21.116 14.277 1.00 0.00 H new ATOM 535 N SER A 37 -5.702 16.784 15.475 1.00 0.00 N ATOM 536 CA SER A 37 -4.606 16.015 14.898 1.00 0.00 C ATOM 537 C SER A 37 -4.822 14.520 15.107 1.00 0.00 C ATOM 538 O SER A 37 -4.492 13.706 14.243 1.00 0.00 O ATOM 539 CB SER A 37 -3.274 16.441 15.519 1.00 0.00 C ATOM 540 OG SER A 37 -2.236 15.543 15.165 1.00 0.00 O ATOM 0 H SER A 37 -5.407 17.537 16.097 1.00 0.00 H new ATOM 0 HA SER A 37 -4.580 16.214 13.827 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.019 17.447 15.185 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.371 16.480 16.604 1.00 0.00 H new ATOM 0 HG SER A 37 -1.395 15.838 15.573 1.00 0.00 H new ATOM 546 N TYR A 38 -5.379 14.164 16.260 1.00 0.00 N ATOM 547 CA TYR A 38 -5.638 12.767 16.585 1.00 0.00 C ATOM 548 C TYR A 38 -6.607 12.145 15.583 1.00 0.00 C ATOM 549 O TYR A 38 -6.376 11.045 15.082 1.00 0.00 O ATOM 550 CB TYR A 38 -6.205 12.647 18.000 1.00 0.00 C ATOM 551 CG TYR A 38 -7.296 11.609 18.130 1.00 0.00 C ATOM 552 CD1 TYR A 38 -7.011 10.255 18.002 1.00 0.00 C ATOM 553 CD2 TYR A 38 -8.611 11.981 18.380 1.00 0.00 C ATOM 554 CE1 TYR A 38 -8.005 9.302 18.119 1.00 0.00 C ATOM 555 CE2 TYR A 38 -9.610 11.035 18.501 1.00 0.00 C ATOM 556 CZ TYR A 38 -9.302 9.697 18.369 1.00 0.00 C ATOM 557 OH TYR A 38 -10.295 8.752 18.487 1.00 0.00 O ATOM 0 H TYR A 38 -5.660 14.824 16.985 1.00 0.00 H new ATOM 0 HA TYR A 38 -4.692 12.227 16.533 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.396 12.399 18.687 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -6.598 13.616 18.308 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.996 9.942 17.808 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -8.856 13.028 18.481 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -7.767 8.254 18.015 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -10.627 11.341 18.698 1.00 0.00 H new ATOM 0 HH TYR A 38 -11.088 9.160 18.893 1.00 0.00 H new ATOM 567 N GLN A 39 -7.690 12.859 15.296 1.00 0.00 N ATOM 568 CA GLN A 39 -8.694 12.378 14.354 1.00 0.00 C ATOM 569 C GLN A 39 -8.208 12.529 12.917 1.00 0.00 C ATOM 570 O GLN A 39 -8.658 11.814 12.020 1.00 0.00 O ATOM 571 CB GLN A 39 -10.008 13.139 14.544 1.00 0.00 C ATOM 572 CG GLN A 39 -10.994 12.431 15.459 1.00 0.00 C ATOM 573 CD GLN A 39 -12.131 11.778 14.698 1.00 0.00 C ATOM 574 OE1 GLN A 39 -12.865 12.442 13.966 1.00 0.00 O ATOM 575 NE2 GLN A 39 -12.281 10.469 14.866 1.00 0.00 N ATOM 0 H GLN A 39 -7.895 13.772 15.702 1.00 0.00 H new ATOM 0 HA GLN A 39 -8.864 11.320 14.551 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.791 14.126 14.952 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -10.474 13.292 13.570 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -10.467 11.673 16.038 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.403 13.148 16.171 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.649 9.958 15.483 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -13.028 9.975 14.378 1.00 0.00 H new ATOM 584 N VAL A 40 -7.288 13.464 12.703 1.00 0.00 N ATOM 585 CA VAL A 40 -6.741 13.709 11.374 1.00 0.00 C ATOM 586 C VAL A 40 -5.759 12.612 10.974 1.00 0.00 C ATOM 587 O VAL A 40 -5.566 12.341 9.789 1.00 0.00 O ATOM 588 CB VAL A 40 -6.027 15.072 11.303 1.00 0.00 C ATOM 589 CG1 VAL A 40 -5.403 15.277 9.931 1.00 0.00 C ATOM 590 CG2 VAL A 40 -6.996 16.198 11.631 1.00 0.00 C ATOM 0 H VAL A 40 -6.906 14.065 13.433 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.582 13.712 10.681 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.228 15.084 12.044 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.903 16.245 9.900 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.677 14.487 9.740 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.182 15.246 9.169 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.475 17.154 11.576 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.818 16.191 10.915 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -7.390 16.057 12.637 1.00 0.00 H new ATOM 600 N GLU A 41 -5.143 11.985 11.971 1.00 0.00 N ATOM 601 CA GLU A 41 -4.181 10.918 11.721 1.00 0.00 C ATOM 602 C GLU A 41 -4.862 9.553 11.756 1.00 0.00 C ATOM 603 O GLU A 41 -4.387 8.593 11.148 1.00 0.00 O ATOM 604 CB GLU A 41 -3.054 10.965 12.756 1.00 0.00 C ATOM 605 CG GLU A 41 -1.991 9.900 12.546 1.00 0.00 C ATOM 606 CD GLU A 41 -1.517 9.825 11.108 1.00 0.00 C ATOM 607 OE1 GLU A 41 -1.036 10.853 10.587 1.00 0.00 O ATOM 608 OE2 GLU A 41 -1.627 8.738 10.502 1.00 0.00 O ATOM 0 H GLU A 41 -5.292 12.197 12.958 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.759 11.069 10.727 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.583 11.948 12.724 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.481 10.849 13.752 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.140 10.108 13.195 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.390 8.930 12.844 1.00 0.00 H new ATOM 615 N LYS A 42 -5.977 9.473 12.473 1.00 0.00 N ATOM 616 CA LYS A 42 -6.726 8.227 12.589 1.00 0.00 C ATOM 617 C LYS A 42 -7.465 7.914 11.292 1.00 0.00 C ATOM 618 O LYS A 42 -7.467 6.776 10.826 1.00 0.00 O ATOM 619 CB LYS A 42 -7.721 8.311 13.748 1.00 0.00 C ATOM 620 CG LYS A 42 -7.547 7.210 14.780 1.00 0.00 C ATOM 621 CD LYS A 42 -6.304 7.429 15.626 1.00 0.00 C ATOM 622 CE LYS A 42 -5.967 6.197 16.451 1.00 0.00 C ATOM 623 NZ LYS A 42 -6.000 6.481 17.912 1.00 0.00 N ATOM 0 H LYS A 42 -6.383 10.257 12.983 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.017 7.423 12.786 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.613 9.278 14.239 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.735 8.267 13.350 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.425 7.173 15.425 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.480 6.246 14.276 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.462 7.677 14.980 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.459 8.281 16.289 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.675 5.401 16.220 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.977 5.834 16.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.427 5.775 18.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.615 7.430 18.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.982 6.437 18.252 1.00 0.00 H new ATOM 637 N ASN A 43 -8.092 8.933 10.713 1.00 0.00 N ATOM 638 CA ASN A 43 -8.834 8.767 9.469 1.00 0.00 C ATOM 639 C ASN A 43 -7.931 8.998 8.261 1.00 0.00 C ATOM 640 O ASN A 43 -8.401 9.078 7.126 1.00 0.00 O ATOM 641 CB ASN A 43 -10.020 9.733 9.425 1.00 0.00 C ATOM 642 CG ASN A 43 -11.183 9.261 10.277 1.00 0.00 C ATOM 643 OD1 ASN A 43 -12.038 8.505 9.815 1.00 0.00 O ATOM 644 ND2 ASN A 43 -11.219 9.706 11.527 1.00 0.00 N ATOM 0 H ASN A 43 -8.101 9.882 11.086 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.206 7.743 9.432 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -9.697 10.716 9.768 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.352 9.849 8.393 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.977 9.423 12.148 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.488 10.331 11.867 1.00 0.00 H new ATOM 651 N LYS A 44 -6.631 9.104 8.513 1.00 0.00 N ATOM 652 CA LYS A 44 -5.660 9.324 7.448 1.00 0.00 C ATOM 653 C LYS A 44 -6.064 10.511 6.580 1.00 0.00 C ATOM 654 O LYS A 44 -5.760 10.552 5.387 1.00 0.00 O ATOM 655 CB LYS A 44 -5.527 8.068 6.584 1.00 0.00 C ATOM 656 CG LYS A 44 -5.416 6.785 7.389 1.00 0.00 C ATOM 657 CD LYS A 44 -4.295 5.898 6.872 1.00 0.00 C ATOM 658 CE LYS A 44 -4.815 4.857 5.893 1.00 0.00 C ATOM 659 NZ LYS A 44 -4.741 5.334 4.484 1.00 0.00 N ATOM 0 H LYS A 44 -6.225 9.041 9.447 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.697 9.545 7.908 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.391 7.999 5.923 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.647 8.166 5.949 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.237 7.026 8.437 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.361 6.243 7.344 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.539 6.513 6.384 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.808 5.400 7.710 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.235 3.940 5.997 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.848 4.611 6.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.105 4.596 3.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.314 6.195 4.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.752 5.545 4.240 1.00 0.00 H new ATOM 673 N TYR A 45 -6.748 11.475 7.186 1.00 0.00 N ATOM 674 CA TYR A 45 -7.194 12.663 6.467 1.00 0.00 C ATOM 675 C TYR A 45 -6.006 13.445 5.916 1.00 0.00 C ATOM 676 O TYR A 45 -4.997 13.624 6.598 1.00 0.00 O ATOM 677 CB TYR A 45 -8.026 13.558 7.387 1.00 0.00 C ATOM 678 CG TYR A 45 -8.684 14.716 6.671 1.00 0.00 C ATOM 679 CD1 TYR A 45 -9.452 14.508 5.531 1.00 0.00 C ATOM 680 CD2 TYR A 45 -8.538 16.018 7.133 1.00 0.00 C ATOM 681 CE1 TYR A 45 -10.054 15.563 4.874 1.00 0.00 C ATOM 682 CE2 TYR A 45 -9.138 17.079 6.483 1.00 0.00 C ATOM 683 CZ TYR A 45 -9.895 16.846 5.353 1.00 0.00 C ATOM 684 OH TYR A 45 -10.493 17.900 4.702 1.00 0.00 O ATOM 0 H TYR A 45 -7.006 11.457 8.173 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.812 12.339 5.629 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.796 12.955 7.868 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.385 13.948 8.178 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.580 13.504 5.153 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.945 16.204 8.016 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.647 15.384 3.989 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -9.015 18.085 6.857 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.564 17.696 3.746 1.00 0.00 H new ATOM 694 N ASP A 46 -6.134 13.908 4.677 1.00 0.00 N ATOM 695 CA ASP A 46 -5.073 14.672 4.033 1.00 0.00 C ATOM 696 C ASP A 46 -4.625 15.832 4.918 1.00 0.00 C ATOM 697 O ASP A 46 -3.454 16.212 4.915 1.00 0.00 O ATOM 698 CB ASP A 46 -5.546 15.201 2.678 1.00 0.00 C ATOM 699 CG ASP A 46 -4.604 14.829 1.551 1.00 0.00 C ATOM 700 OD1 ASP A 46 -4.371 13.618 1.347 1.00 0.00 O ATOM 701 OD2 ASP A 46 -4.100 15.747 0.871 1.00 0.00 O ATOM 0 H ASP A 46 -6.963 13.767 4.099 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.223 14.007 3.878 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -6.539 14.806 2.463 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.639 16.286 2.727 1.00 0.00 H new ATOM 706 N ALA A 47 -5.565 16.391 5.673 1.00 0.00 N ATOM 707 CA ALA A 47 -5.267 17.506 6.563 1.00 0.00 C ATOM 708 C ALA A 47 -4.821 18.733 5.775 1.00 0.00 C ATOM 709 O ALA A 47 -4.109 19.592 6.295 1.00 0.00 O ATOM 710 CB ALA A 47 -4.199 17.107 7.570 1.00 0.00 C ATOM 0 H ALA A 47 -6.539 16.090 5.686 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.180 17.763 7.101 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.987 17.950 8.228 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.555 16.264 8.163 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.290 16.821 7.042 1.00 0.00 H new ATOM 716 N SER A 48 -5.244 18.809 4.517 1.00 0.00 N ATOM 717 CA SER A 48 -4.885 19.929 3.656 1.00 0.00 C ATOM 718 C SER A 48 -6.075 20.863 3.454 1.00 0.00 C ATOM 719 O SER A 48 -6.167 21.558 2.443 1.00 0.00 O ATOM 720 CB SER A 48 -4.387 19.420 2.302 1.00 0.00 C ATOM 721 OG SER A 48 -3.742 20.451 1.575 1.00 0.00 O ATOM 0 H SER A 48 -5.836 18.108 4.072 1.00 0.00 H new ATOM 0 HA SER A 48 -4.085 20.487 4.143 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.696 18.591 2.454 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.227 19.034 1.724 1.00 0.00 H new ATOM 0 HG SER A 48 -4.307 21.252 1.572 1.00 0.00 H new ATOM 727 N ALA A 49 -6.983 20.872 4.424 1.00 0.00 N ATOM 728 CA ALA A 49 -8.165 21.721 4.356 1.00 0.00 C ATOM 729 C ALA A 49 -8.318 22.555 5.624 1.00 0.00 C ATOM 730 O ALA A 49 -8.683 23.729 5.565 1.00 0.00 O ATOM 731 CB ALA A 49 -9.409 20.875 4.125 1.00 0.00 C ATOM 0 H ALA A 49 -6.922 20.300 5.267 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.042 22.405 3.516 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -10.285 21.522 4.076 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -9.309 20.329 3.187 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.526 20.168 4.946 1.00 0.00 H new ATOM 737 N ILE A 50 -8.036 21.940 6.767 1.00 0.00 N ATOM 738 CA ILE A 50 -8.142 22.626 8.049 1.00 0.00 C ATOM 739 C ILE A 50 -7.317 23.909 8.055 1.00 0.00 C ATOM 740 O ILE A 50 -6.111 23.885 7.809 1.00 0.00 O ATOM 741 CB ILE A 50 -7.678 21.726 9.210 1.00 0.00 C ATOM 742 CG1 ILE A 50 -8.496 20.434 9.239 1.00 0.00 C ATOM 743 CG2 ILE A 50 -7.798 22.466 10.534 1.00 0.00 C ATOM 744 CD1 ILE A 50 -7.964 19.404 10.211 1.00 0.00 C ATOM 0 H ILE A 50 -7.732 20.968 6.832 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.195 22.872 8.189 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.631 21.467 9.055 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -9.527 20.672 9.502 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.514 20.002 8.238 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.467 21.817 11.345 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.176 23.361 10.508 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.837 22.751 10.699 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.593 18.514 10.179 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.943 19.137 9.936 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.972 19.817 11.220 1.00 0.00 H new ATOM 756 N ASP A 51 -7.976 25.028 8.339 1.00 0.00 N ATOM 757 CA ASP A 51 -7.303 26.321 8.380 1.00 0.00 C ATOM 758 C ASP A 51 -6.457 26.454 9.642 1.00 0.00 C ATOM 759 O ASP A 51 -5.437 27.142 9.649 1.00 0.00 O ATOM 760 CB ASP A 51 -8.328 27.455 8.317 1.00 0.00 C ATOM 761 CG ASP A 51 -7.927 28.544 7.342 1.00 0.00 C ATOM 762 OD1 ASP A 51 -7.469 28.206 6.231 1.00 0.00 O ATOM 763 OD2 ASP A 51 -8.070 29.735 7.691 1.00 0.00 O ATOM 0 H ASP A 51 -8.975 25.065 8.544 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.644 26.388 7.514 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.297 27.049 8.026 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.449 27.887 9.310 1.00 0.00 H new ATOM 768 N PHE A 52 -6.889 25.791 10.710 1.00 0.00 N ATOM 769 CA PHE A 52 -6.172 25.836 11.979 1.00 0.00 C ATOM 770 C PHE A 52 -5.990 27.276 12.450 1.00 0.00 C ATOM 771 O PHE A 52 -5.055 27.585 13.189 1.00 0.00 O ATOM 772 CB PHE A 52 -4.809 25.155 11.844 1.00 0.00 C ATOM 773 CG PHE A 52 -4.889 23.656 11.801 1.00 0.00 C ATOM 774 CD1 PHE A 52 -5.356 22.942 12.893 1.00 0.00 C ATOM 775 CD2 PHE A 52 -4.495 22.960 10.669 1.00 0.00 C ATOM 776 CE1 PHE A 52 -5.432 21.563 12.857 1.00 0.00 C ATOM 777 CE2 PHE A 52 -4.569 21.581 10.627 1.00 0.00 C ATOM 778 CZ PHE A 52 -5.036 20.881 11.722 1.00 0.00 C ATOM 0 H PHE A 52 -7.732 25.216 10.722 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.765 25.302 12.722 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.322 25.511 10.936 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.178 25.453 12.681 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.664 23.470 13.783 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.126 23.502 9.810 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.800 21.019 13.714 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.262 21.051 9.738 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.092 19.803 11.691 1.00 0.00 H new ATOM 788 N SER A 53 -6.890 28.152 12.015 1.00 0.00 N ATOM 789 CA SER A 53 -6.826 29.561 12.388 1.00 0.00 C ATOM 790 C SER A 53 -8.159 30.031 12.964 1.00 0.00 C ATOM 791 O SER A 53 -8.195 30.811 13.915 1.00 0.00 O ATOM 792 CB SER A 53 -6.453 30.415 11.175 1.00 0.00 C ATOM 793 OG SER A 53 -5.061 30.354 10.917 1.00 0.00 O ATOM 0 H SER A 53 -7.671 27.912 11.405 1.00 0.00 H new ATOM 0 HA SER A 53 -6.058 29.674 13.153 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.004 30.070 10.300 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.749 31.449 11.350 1.00 0.00 H new ATOM 0 HG SER A 53 -4.849 30.907 10.136 1.00 0.00 H new ATOM 799 N ARG A 54 -9.251 29.549 12.380 1.00 0.00 N ATOM 800 CA ARG A 54 -10.586 29.920 12.834 1.00 0.00 C ATOM 801 C ARG A 54 -10.952 29.174 14.114 1.00 0.00 C ATOM 802 O ARG A 54 -11.779 29.639 14.900 1.00 0.00 O ATOM 803 CB ARG A 54 -11.619 29.622 11.745 1.00 0.00 C ATOM 804 CG ARG A 54 -11.666 30.672 10.647 1.00 0.00 C ATOM 805 CD ARG A 54 -13.097 31.002 10.252 1.00 0.00 C ATOM 806 NE ARG A 54 -13.257 32.411 9.903 1.00 0.00 N ATOM 807 CZ ARG A 54 -12.788 32.948 8.782 1.00 0.00 C ATOM 808 NH1 ARG A 54 -12.134 32.197 7.906 1.00 0.00 N ATOM 809 NH2 ARG A 54 -12.974 34.238 8.535 1.00 0.00 N ATOM 0 H ARG A 54 -9.238 28.901 11.592 1.00 0.00 H new ATOM 0 HA ARG A 54 -10.587 30.990 13.044 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.396 28.652 11.300 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.605 29.543 12.203 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.163 31.578 10.986 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.120 30.312 9.775 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.391 30.383 9.404 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.767 30.754 11.075 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.756 33.016 10.555 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -11.990 31.205 8.092 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -11.775 32.612 7.046 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -13.477 34.818 9.206 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -12.614 34.650 7.674 1.00 0.00 H new ATOM 823 N CYS A 55 -10.332 28.017 14.316 1.00 0.00 N ATOM 824 CA CYS A 55 -10.594 27.206 15.500 1.00 0.00 C ATOM 825 C CYS A 55 -9.956 27.830 16.738 1.00 0.00 C ATOM 826 O CYS A 55 -8.915 27.371 17.210 1.00 0.00 O ATOM 827 CB CYS A 55 -10.063 25.786 15.299 1.00 0.00 C ATOM 828 SG CYS A 55 -10.366 24.680 16.696 1.00 0.00 S ATOM 0 H CYS A 55 -9.645 27.619 13.676 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.673 27.165 15.651 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -10.522 25.361 14.407 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -8.990 25.834 15.113 1.00 0.00 H new ATOM 0 HG CYS A 55 -11.528 24.944 17.215 1.00 0.00 H new ATOM 834 N ASP A 56 -10.585 28.878 17.257 1.00 0.00 N ATOM 835 CA ASP A 56 -10.079 29.565 18.439 1.00 0.00 C ATOM 836 C ASP A 56 -10.883 29.181 19.677 1.00 0.00 C ATOM 837 O ASP A 56 -10.719 29.773 20.744 1.00 0.00 O ATOM 838 CB ASP A 56 -10.127 31.080 18.234 1.00 0.00 C ATOM 839 CG ASP A 56 -9.054 31.805 19.022 1.00 0.00 C ATOM 840 OD1 ASP A 56 -7.887 31.362 18.984 1.00 0.00 O ATOM 841 OD2 ASP A 56 -9.381 32.817 19.677 1.00 0.00 O ATOM 0 H ASP A 56 -11.447 29.271 16.878 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.044 29.259 18.591 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.009 31.304 17.174 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.107 31.453 18.532 1.00 0.00 H new ATOM 846 N MET A 57 -11.752 28.187 19.527 1.00 0.00 N ATOM 847 CA MET A 57 -12.582 27.724 20.633 1.00 0.00 C ATOM 848 C MET A 57 -11.756 26.921 21.633 1.00 0.00 C ATOM 849 O MET A 57 -11.090 25.952 21.266 1.00 0.00 O ATOM 850 CB MET A 57 -13.739 26.871 20.109 1.00 0.00 C ATOM 851 CG MET A 57 -13.296 25.743 19.192 1.00 0.00 C ATOM 852 SD MET A 57 -13.655 26.077 17.457 1.00 0.00 S ATOM 853 CE MET A 57 -14.723 24.694 17.060 1.00 0.00 C ATOM 0 H MET A 57 -11.900 27.687 18.651 1.00 0.00 H new ATOM 0 HA MET A 57 -12.987 28.599 21.142 1.00 0.00 H new ATOM 0 HB2 MET A 57 -14.280 26.449 20.955 1.00 0.00 H new ATOM 0 HB3 MET A 57 -14.438 27.512 19.571 1.00 0.00 H new ATOM 0 HG2 MET A 57 -12.225 25.581 19.313 1.00 0.00 H new ATOM 0 HG3 MET A 57 -13.793 24.820 19.491 1.00 0.00 H new ATOM 0 HE1 MET A 57 -15.279 24.914 16.149 1.00 0.00 H new ATOM 0 HE2 MET A 57 -14.119 23.799 16.909 1.00 0.00 H new ATOM 0 HE3 MET A 57 -15.421 24.526 17.880 1.00 0.00 H new ATOM 863 N ASP A 58 -11.802 27.330 22.896 1.00 0.00 N ATOM 864 CA ASP A 58 -11.059 26.649 23.949 1.00 0.00 C ATOM 865 C ASP A 58 -11.691 25.299 24.275 1.00 0.00 C ATOM 866 O ASP A 58 -10.995 24.298 24.436 1.00 0.00 O ATOM 867 CB ASP A 58 -11.002 27.517 25.207 1.00 0.00 C ATOM 868 CG ASP A 58 -12.377 27.790 25.784 1.00 0.00 C ATOM 869 OD1 ASP A 58 -13.033 28.749 25.326 1.00 0.00 O ATOM 870 OD2 ASP A 58 -12.798 27.044 26.692 1.00 0.00 O ATOM 0 H ASP A 58 -12.347 28.131 23.215 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.044 26.477 23.590 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.387 27.022 25.959 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.516 28.463 24.970 1.00 0.00 H new ATOM 875 N GLY A 59 -13.018 25.281 24.371 1.00 0.00 N ATOM 876 CA GLY A 59 -13.722 24.050 24.679 1.00 0.00 C ATOM 877 C GLY A 59 -15.223 24.244 24.753 1.00 0.00 C ATOM 878 O GLY A 59 -15.973 23.639 23.987 1.00 0.00 O ATOM 0 H GLY A 59 -13.617 26.096 24.241 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -13.492 23.304 23.919 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.362 23.657 25.630 1.00 0.00 H new ATOM 882 N ALA A 60 -15.664 25.090 25.679 1.00 0.00 N ATOM 883 CA ALA A 60 -17.086 25.362 25.850 1.00 0.00 C ATOM 884 C ALA A 60 -17.720 25.813 24.539 1.00 0.00 C ATOM 885 O ALA A 60 -18.898 25.559 24.287 1.00 0.00 O ATOM 886 CB ALA A 60 -17.295 26.414 26.930 1.00 0.00 C ATOM 0 H ALA A 60 -15.057 25.598 26.322 1.00 0.00 H new ATOM 0 HA ALA A 60 -17.574 24.438 26.159 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -18.361 26.608 27.048 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -16.885 26.053 27.874 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -16.788 27.335 26.643 1.00 0.00 H new ATOM 892 N THR A 61 -16.932 26.485 23.706 1.00 0.00 N ATOM 893 CA THR A 61 -17.417 26.974 22.421 1.00 0.00 C ATOM 894 C THR A 61 -17.464 25.853 21.389 1.00 0.00 C ATOM 895 O THR A 61 -18.236 25.910 20.431 1.00 0.00 O ATOM 896 CB THR A 61 -16.532 28.115 21.884 1.00 0.00 C ATOM 897 OG1 THR A 61 -16.544 29.216 22.798 1.00 0.00 O ATOM 898 CG2 THR A 61 -17.017 28.578 20.518 1.00 0.00 C ATOM 0 H THR A 61 -15.954 26.703 23.898 1.00 0.00 H new ATOM 0 HA THR A 61 -18.425 27.354 22.587 1.00 0.00 H new ATOM 0 HB THR A 61 -15.514 27.739 21.783 1.00 0.00 H new ATOM 0 HG1 THR A 61 -15.978 29.936 22.450 1.00 0.00 H new ATOM 0 HG21 THR A 61 -16.377 29.384 20.159 1.00 0.00 H new ATOM 0 HG22 THR A 61 -16.979 27.744 19.817 1.00 0.00 H new ATOM 0 HG23 THR A 61 -18.043 28.938 20.599 1.00 0.00 H new ATOM 906 N LEU A 62 -16.635 24.835 21.591 1.00 0.00 N ATOM 907 CA LEU A 62 -16.583 23.699 20.677 1.00 0.00 C ATOM 908 C LEU A 62 -17.846 22.851 20.789 1.00 0.00 C ATOM 909 O LEU A 62 -18.463 22.503 19.781 1.00 0.00 O ATOM 910 CB LEU A 62 -15.351 22.840 20.969 1.00 0.00 C ATOM 911 CG LEU A 62 -15.255 21.520 20.203 1.00 0.00 C ATOM 912 CD1 LEU A 62 -15.176 21.777 18.706 1.00 0.00 C ATOM 913 CD2 LEU A 62 -14.052 20.717 20.673 1.00 0.00 C ATOM 0 H LEU A 62 -15.990 24.773 22.379 1.00 0.00 H new ATOM 0 HA LEU A 62 -16.516 24.086 19.660 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -14.461 23.430 20.749 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -15.331 22.620 22.036 1.00 0.00 H new ATOM 0 HG LEU A 62 -16.155 20.939 20.404 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -15.108 20.827 18.177 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -16.069 22.311 18.381 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -14.294 22.378 18.486 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -14.000 19.781 20.117 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -13.142 21.292 20.502 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -14.151 20.502 21.737 1.00 0.00 H new ATOM 925 N CYS A 63 -18.226 22.525 22.019 1.00 0.00 N ATOM 926 CA CYS A 63 -19.417 21.719 22.263 1.00 0.00 C ATOM 927 C CYS A 63 -20.678 22.480 21.867 1.00 0.00 C ATOM 928 O CYS A 63 -21.709 21.879 21.567 1.00 0.00 O ATOM 929 CB CYS A 63 -19.492 21.314 23.736 1.00 0.00 C ATOM 930 SG CYS A 63 -19.888 22.677 24.856 1.00 0.00 S ATOM 0 H CYS A 63 -17.727 22.806 22.863 1.00 0.00 H new ATOM 0 HA CYS A 63 -19.349 20.820 21.650 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -20.245 20.534 23.850 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -18.537 20.880 24.032 1.00 0.00 H new ATOM 0 HG CYS A 63 -19.362 23.777 24.404 1.00 0.00 H new ATOM 936 N ASN A 64 -20.589 23.806 21.871 1.00 0.00 N ATOM 937 CA ASN A 64 -21.724 24.649 21.515 1.00 0.00 C ATOM 938 C ASN A 64 -21.770 24.891 20.009 1.00 0.00 C ATOM 939 O ASN A 64 -22.833 25.153 19.445 1.00 0.00 O ATOM 940 CB ASN A 64 -21.645 25.986 22.255 1.00 0.00 C ATOM 941 CG ASN A 64 -22.691 26.104 23.347 1.00 0.00 C ATOM 942 OD1 ASN A 64 -23.836 25.687 23.173 1.00 0.00 O ATOM 943 ND2 ASN A 64 -22.301 26.676 24.480 1.00 0.00 N ATOM 0 H ASN A 64 -19.743 24.320 22.117 1.00 0.00 H new ATOM 0 HA ASN A 64 -22.636 24.131 21.811 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -20.653 26.098 22.692 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -21.774 26.801 21.543 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -22.961 26.784 25.250 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -21.341 27.007 24.580 1.00 0.00 H new ATOM 950 N CYS A 65 -20.612 24.801 19.365 1.00 0.00 N ATOM 951 CA CYS A 65 -20.520 25.011 17.925 1.00 0.00 C ATOM 952 C CYS A 65 -21.531 24.142 17.183 1.00 0.00 C ATOM 953 O CYS A 65 -21.995 23.129 17.705 1.00 0.00 O ATOM 954 CB CYS A 65 -19.105 24.700 17.433 1.00 0.00 C ATOM 955 SG CYS A 65 -18.142 26.163 16.985 1.00 0.00 S ATOM 0 H CYS A 65 -19.724 24.584 19.817 1.00 0.00 H new ATOM 0 HA CYS A 65 -20.747 26.057 17.720 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -18.573 24.152 18.211 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -19.169 24.041 16.567 1.00 0.00 H new ATOM 0 HG CYS A 65 -18.894 26.991 16.322 1.00 0.00 H new ATOM 961 N ALA A 66 -21.870 24.548 15.964 1.00 0.00 N ATOM 962 CA ALA A 66 -22.826 23.807 15.150 1.00 0.00 C ATOM 963 C ALA A 66 -22.114 22.839 14.211 1.00 0.00 C ATOM 964 O ALA A 66 -20.928 23.000 13.920 1.00 0.00 O ATOM 965 CB ALA A 66 -23.701 24.768 14.358 1.00 0.00 C ATOM 0 H ALA A 66 -21.497 25.386 15.518 1.00 0.00 H new ATOM 0 HA ALA A 66 -23.459 23.223 15.818 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -24.410 24.201 13.755 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -24.245 25.415 15.046 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -23.075 25.377 13.706 1.00 0.00 H new ATOM 971 N LEU A 67 -22.844 21.834 13.741 1.00 0.00 N ATOM 972 CA LEU A 67 -22.282 20.839 12.834 1.00 0.00 C ATOM 973 C LEU A 67 -21.627 21.508 11.630 1.00 0.00 C ATOM 974 O LEU A 67 -20.430 21.347 11.394 1.00 0.00 O ATOM 975 CB LEU A 67 -23.372 19.873 12.366 1.00 0.00 C ATOM 976 CG LEU A 67 -23.038 19.030 11.136 1.00 0.00 C ATOM 977 CD1 LEU A 67 -21.712 18.309 11.327 1.00 0.00 C ATOM 978 CD2 LEU A 67 -24.153 18.033 10.853 1.00 0.00 C ATOM 0 H LEU A 67 -23.826 21.686 13.973 1.00 0.00 H new ATOM 0 HA LEU A 67 -21.519 20.280 13.375 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -23.611 19.200 13.189 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -24.273 20.449 12.154 1.00 0.00 H new ATOM 0 HG LEU A 67 -22.946 19.695 10.278 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -21.491 17.714 10.441 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -20.919 19.041 11.480 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -21.775 17.655 12.197 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -23.898 17.442 9.974 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -24.277 17.372 11.711 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -25.084 18.570 10.671 1.00 0.00 H new ATOM 990 N GLU A 68 -22.421 22.259 10.873 1.00 0.00 N ATOM 991 CA GLU A 68 -21.917 22.954 9.694 1.00 0.00 C ATOM 992 C GLU A 68 -20.679 23.778 10.036 1.00 0.00 C ATOM 993 O GLU A 68 -19.726 23.836 9.260 1.00 0.00 O ATOM 994 CB GLU A 68 -23.000 23.860 9.106 1.00 0.00 C ATOM 995 CG GLU A 68 -24.196 23.100 8.557 1.00 0.00 C ATOM 996 CD GLU A 68 -25.398 23.995 8.323 1.00 0.00 C ATOM 997 OE1 GLU A 68 -26.024 24.420 9.316 1.00 0.00 O ATOM 998 OE2 GLU A 68 -25.712 24.270 7.146 1.00 0.00 O ATOM 0 H GLU A 68 -23.414 22.402 11.055 1.00 0.00 H new ATOM 0 HA GLU A 68 -21.640 22.204 8.953 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -23.342 24.551 9.876 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -22.565 24.462 8.308 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -23.917 22.620 7.619 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -24.468 22.307 9.253 1.00 0.00 H new ATOM 1005 N GLU A 69 -20.703 24.416 11.202 1.00 0.00 N ATOM 1006 CA GLU A 69 -19.584 25.239 11.646 1.00 0.00 C ATOM 1007 C GLU A 69 -18.284 24.441 11.633 1.00 0.00 C ATOM 1008 O GLU A 69 -17.297 24.850 11.018 1.00 0.00 O ATOM 1009 CB GLU A 69 -19.848 25.782 13.052 1.00 0.00 C ATOM 1010 CG GLU A 69 -20.173 27.266 13.079 1.00 0.00 C ATOM 1011 CD GLU A 69 -21.155 27.627 14.177 1.00 0.00 C ATOM 1012 OE1 GLU A 69 -20.712 27.820 15.329 1.00 0.00 O ATOM 1013 OE2 GLU A 69 -22.366 27.717 13.884 1.00 0.00 O ATOM 0 H GLU A 69 -21.485 24.379 11.856 1.00 0.00 H new ATOM 0 HA GLU A 69 -19.484 26.075 10.954 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -20.675 25.229 13.497 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -18.972 25.599 13.674 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -19.253 27.833 13.218 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -20.587 27.561 12.115 1.00 0.00 H new ATOM 1020 N LEU A 70 -18.289 23.301 12.315 1.00 0.00 N ATOM 1021 CA LEU A 70 -17.110 22.445 12.383 1.00 0.00 C ATOM 1022 C LEU A 70 -16.671 22.010 10.988 1.00 0.00 C ATOM 1023 O LEU A 70 -15.499 21.707 10.762 1.00 0.00 O ATOM 1024 CB LEU A 70 -17.398 21.215 13.246 1.00 0.00 C ATOM 1025 CG LEU A 70 -18.000 21.488 14.624 1.00 0.00 C ATOM 1026 CD1 LEU A 70 -18.335 20.182 15.329 1.00 0.00 C ATOM 1027 CD2 LEU A 70 -17.047 22.322 15.467 1.00 0.00 C ATOM 0 H LEU A 70 -19.096 22.948 12.829 1.00 0.00 H new ATOM 0 HA LEU A 70 -16.301 23.018 12.836 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -18.077 20.562 12.698 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -16.467 20.665 13.381 1.00 0.00 H new ATOM 0 HG LEU A 70 -18.923 22.052 14.490 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -18.762 20.397 16.308 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -19.056 19.621 14.733 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -17.427 19.591 15.451 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -17.492 22.506 16.445 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -16.107 21.785 15.592 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -16.858 23.273 14.969 1.00 0.00 H new ATOM 1039 N ARG A 71 -17.618 21.985 10.057 1.00 0.00 N ATOM 1040 CA ARG A 71 -17.329 21.589 8.684 1.00 0.00 C ATOM 1041 C ARG A 71 -16.696 22.740 7.908 1.00 0.00 C ATOM 1042 O ARG A 71 -16.026 22.527 6.896 1.00 0.00 O ATOM 1043 CB ARG A 71 -18.609 21.131 7.982 1.00 0.00 C ATOM 1044 CG ARG A 71 -19.246 19.905 8.617 1.00 0.00 C ATOM 1045 CD ARG A 71 -20.711 19.775 8.230 1.00 0.00 C ATOM 1046 NE ARG A 71 -20.988 18.513 7.549 1.00 0.00 N ATOM 1047 CZ ARG A 71 -20.749 18.308 6.258 1.00 0.00 C ATOM 1048 NH1 ARG A 71 -20.232 19.275 5.514 1.00 0.00 N ATOM 1049 NH2 ARG A 71 -21.028 17.132 5.710 1.00 0.00 N ATOM 0 H ARG A 71 -18.592 22.234 10.228 1.00 0.00 H new ATOM 0 HA ARG A 71 -16.622 20.760 8.713 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -19.329 21.949 7.988 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -18.383 20.913 6.938 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -18.706 19.011 8.306 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -19.159 19.969 9.702 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -21.330 19.848 9.124 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -20.990 20.606 7.581 1.00 0.00 H new ATOM 0 HE ARG A 71 -21.386 17.748 8.094 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -20.016 20.180 5.932 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -20.050 19.114 4.523 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -21.426 16.385 6.280 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -20.845 16.975 4.719 1.00 0.00 H new ATOM 1063 N LEU A 72 -16.911 23.960 8.388 1.00 0.00 N ATOM 1064 CA LEU A 72 -16.362 25.145 7.739 1.00 0.00 C ATOM 1065 C LEU A 72 -15.012 25.519 8.342 1.00 0.00 C ATOM 1066 O LEU A 72 -14.248 26.286 7.755 1.00 0.00 O ATOM 1067 CB LEU A 72 -17.334 26.319 7.870 1.00 0.00 C ATOM 1068 CG LEU A 72 -18.201 26.612 6.645 1.00 0.00 C ATOM 1069 CD1 LEU A 72 -19.668 26.691 7.035 1.00 0.00 C ATOM 1070 CD2 LEU A 72 -17.755 27.903 5.973 1.00 0.00 C ATOM 0 H LEU A 72 -17.462 24.154 9.224 1.00 0.00 H new ATOM 0 HA LEU A 72 -16.218 24.917 6.683 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -17.991 26.128 8.718 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -16.760 27.215 8.107 1.00 0.00 H new ATOM 0 HG LEU A 72 -18.080 25.795 5.934 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -20.269 26.900 6.150 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -19.981 25.742 7.470 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -19.808 27.488 7.765 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -18.383 28.096 5.103 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -17.846 28.730 6.677 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -16.716 27.809 5.657 1.00 0.00 H new ATOM 1082 N VAL A 73 -14.722 24.971 9.518 1.00 0.00 N ATOM 1083 CA VAL A 73 -13.462 25.245 10.200 1.00 0.00 C ATOM 1084 C VAL A 73 -12.477 24.096 10.015 1.00 0.00 C ATOM 1085 O VAL A 73 -11.263 24.298 10.022 1.00 0.00 O ATOM 1086 CB VAL A 73 -13.679 25.483 11.706 1.00 0.00 C ATOM 1087 CG1 VAL A 73 -12.366 25.840 12.385 1.00 0.00 C ATOM 1088 CG2 VAL A 73 -14.717 26.573 11.928 1.00 0.00 C ATOM 0 H VAL A 73 -15.342 24.335 10.018 1.00 0.00 H new ATOM 0 HA VAL A 73 -13.050 26.150 9.753 1.00 0.00 H new ATOM 0 HB VAL A 73 -14.052 24.561 12.152 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -12.539 26.005 13.448 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.655 25.024 12.255 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.961 26.748 11.939 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -14.858 26.729 12.998 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -14.375 27.500 11.469 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -15.663 26.272 11.477 1.00 0.00 H new ATOM 1098 N PHE A 74 -13.008 22.889 9.849 1.00 0.00 N ATOM 1099 CA PHE A 74 -12.176 21.707 9.662 1.00 0.00 C ATOM 1100 C PHE A 74 -12.483 21.030 8.330 1.00 0.00 C ATOM 1101 O PHE A 74 -12.241 19.836 8.157 1.00 0.00 O ATOM 1102 CB PHE A 74 -12.391 20.719 10.811 1.00 0.00 C ATOM 1103 CG PHE A 74 -12.490 21.378 12.157 1.00 0.00 C ATOM 1104 CD1 PHE A 74 -11.442 22.140 12.648 1.00 0.00 C ATOM 1105 CD2 PHE A 74 -13.630 21.235 12.931 1.00 0.00 C ATOM 1106 CE1 PHE A 74 -11.530 22.746 13.887 1.00 0.00 C ATOM 1107 CE2 PHE A 74 -13.724 21.840 14.170 1.00 0.00 C ATOM 1108 CZ PHE A 74 -12.673 22.597 14.649 1.00 0.00 C ATOM 0 H PHE A 74 -14.011 22.704 9.840 1.00 0.00 H new ATOM 0 HA PHE A 74 -11.133 22.025 9.655 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -13.303 20.151 10.625 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -11.568 20.005 10.825 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -10.547 22.262 12.056 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -14.455 20.644 12.562 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -10.706 23.336 14.260 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -14.619 21.721 14.763 1.00 0.00 H new ATOM 0 HZ PHE A 74 -12.744 23.071 15.617 1.00 0.00 H new ATOM 1118 N GLY A 75 -13.019 21.802 7.390 1.00 0.00 N ATOM 1119 CA GLY A 75 -13.353 21.260 6.085 1.00 0.00 C ATOM 1120 C GLY A 75 -14.358 20.129 6.167 1.00 0.00 C ATOM 1121 O GLY A 75 -15.199 20.081 7.064 1.00 0.00 O ATOM 0 H GLY A 75 -13.228 22.793 7.508 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.756 22.055 5.457 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.445 20.901 5.601 1.00 0.00 H new ATOM 1125 N PRO A 76 -14.278 19.191 5.211 1.00 0.00 N ATOM 1126 CA PRO A 76 -15.181 18.038 5.156 1.00 0.00 C ATOM 1127 C PRO A 76 -14.925 17.047 6.287 1.00 0.00 C ATOM 1128 O PRO A 76 -15.675 16.086 6.466 1.00 0.00 O ATOM 1129 CB PRO A 76 -14.859 17.399 3.803 1.00 0.00 C ATOM 1130 CG PRO A 76 -13.458 17.814 3.511 1.00 0.00 C ATOM 1131 CD PRO A 76 -13.299 19.184 4.111 1.00 0.00 C ATOM 0 HA PRO A 76 -16.225 18.332 5.266 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -14.949 16.314 3.846 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -15.544 17.745 3.029 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.745 17.113 3.944 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -13.273 17.834 2.437 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -12.285 19.348 4.475 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -13.507 19.968 3.383 1.00 0.00 H new ATOM 1139 N LEU A 77 -13.862 17.286 7.047 1.00 0.00 N ATOM 1140 CA LEU A 77 -13.507 16.414 8.162 1.00 0.00 C ATOM 1141 C LEU A 77 -14.446 16.633 9.345 1.00 0.00 C ATOM 1142 O LEU A 77 -14.639 15.742 10.170 1.00 0.00 O ATOM 1143 CB LEU A 77 -12.061 16.665 8.591 1.00 0.00 C ATOM 1144 CG LEU A 77 -11.520 15.754 9.693 1.00 0.00 C ATOM 1145 CD1 LEU A 77 -11.720 14.292 9.324 1.00 0.00 C ATOM 1146 CD2 LEU A 77 -10.048 16.044 9.950 1.00 0.00 C ATOM 0 H LEU A 77 -13.231 18.076 6.912 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.606 15.381 7.829 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -11.420 16.562 7.715 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -11.977 17.698 8.928 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.075 15.955 10.609 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.329 13.659 10.120 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.783 14.092 9.191 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -11.191 14.075 8.396 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.680 15.386 10.737 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.478 15.871 9.037 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.930 17.082 10.260 1.00 0.00 H new ATOM 1158 N GLY A 78 -15.029 17.826 9.418 1.00 0.00 N ATOM 1159 CA GLY A 78 -15.941 18.140 10.502 1.00 0.00 C ATOM 1160 C GLY A 78 -17.034 17.102 10.658 1.00 0.00 C ATOM 1161 O GLY A 78 -17.421 16.761 11.777 1.00 0.00 O ATOM 0 H GLY A 78 -14.886 18.580 8.746 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -15.381 18.216 11.434 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -16.393 19.115 10.321 1.00 0.00 H new ATOM 1165 N ASP A 79 -17.535 16.598 9.536 1.00 0.00 N ATOM 1166 CA ASP A 79 -18.591 15.592 9.553 1.00 0.00 C ATOM 1167 C ASP A 79 -18.181 14.389 10.396 1.00 0.00 C ATOM 1168 O ASP A 79 -19.030 13.684 10.941 1.00 0.00 O ATOM 1169 CB ASP A 79 -18.920 15.144 8.128 1.00 0.00 C ATOM 1170 CG ASP A 79 -20.058 14.143 8.085 1.00 0.00 C ATOM 1171 OD1 ASP A 79 -21.213 14.545 8.340 1.00 0.00 O ATOM 1172 OD2 ASP A 79 -19.794 12.957 7.795 1.00 0.00 O ATOM 0 H ASP A 79 -17.227 16.870 8.602 1.00 0.00 H new ATOM 0 HA ASP A 79 -19.479 16.040 9.999 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -19.183 16.015 7.528 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -18.033 14.701 7.675 1.00 0.00 H new ATOM 1177 N GLN A 80 -16.876 14.160 10.497 1.00 0.00 N ATOM 1178 CA GLN A 80 -16.355 13.040 11.272 1.00 0.00 C ATOM 1179 C GLN A 80 -16.019 13.473 12.695 1.00 0.00 C ATOM 1180 O GLN A 80 -16.059 12.668 13.626 1.00 0.00 O ATOM 1181 CB GLN A 80 -15.112 12.459 10.596 1.00 0.00 C ATOM 1182 CG GLN A 80 -15.413 11.713 9.306 1.00 0.00 C ATOM 1183 CD GLN A 80 -16.524 10.694 9.467 1.00 0.00 C ATOM 1184 OE1 GLN A 80 -16.432 9.784 10.292 1.00 0.00 O ATOM 1185 NE2 GLN A 80 -17.582 10.841 8.679 1.00 0.00 N ATOM 0 H GLN A 80 -16.160 14.735 10.052 1.00 0.00 H new ATOM 0 HA GLN A 80 -17.127 12.272 11.318 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -14.413 13.268 10.383 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -14.614 11.782 11.290 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -15.691 12.429 8.533 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -14.510 11.209 8.963 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -17.616 11.610 8.009 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -18.361 10.185 8.743 1.00 0.00 H new ATOM 1194 N LEU A 81 -15.687 14.749 12.857 1.00 0.00 N ATOM 1195 CA LEU A 81 -15.343 15.290 14.168 1.00 0.00 C ATOM 1196 C LEU A 81 -16.596 15.529 15.004 1.00 0.00 C ATOM 1197 O LEU A 81 -16.552 15.485 16.234 1.00 0.00 O ATOM 1198 CB LEU A 81 -14.562 16.596 14.014 1.00 0.00 C ATOM 1199 CG LEU A 81 -13.298 16.525 13.156 1.00 0.00 C ATOM 1200 CD1 LEU A 81 -12.760 17.921 12.882 1.00 0.00 C ATOM 1201 CD2 LEU A 81 -12.240 15.667 13.835 1.00 0.00 C ATOM 0 H LEU A 81 -15.649 15.428 12.097 1.00 0.00 H new ATOM 0 HA LEU A 81 -14.719 14.559 14.683 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -15.227 17.345 13.584 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -14.284 16.949 15.007 1.00 0.00 H new ATOM 0 HG LEU A 81 -13.554 16.063 12.203 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.861 17.851 12.270 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -13.514 18.504 12.353 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.519 18.410 13.826 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.348 15.628 13.210 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.987 16.100 14.803 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -12.627 14.658 13.979 1.00 0.00 H new ATOM 1213 N HIS A 82 -17.713 15.779 14.328 1.00 0.00 N ATOM 1214 CA HIS A 82 -18.980 16.022 15.009 1.00 0.00 C ATOM 1215 C HIS A 82 -19.488 14.751 15.682 1.00 0.00 C ATOM 1216 O HIS A 82 -19.802 14.750 16.872 1.00 0.00 O ATOM 1217 CB HIS A 82 -20.024 16.541 14.019 1.00 0.00 C ATOM 1218 CG HIS A 82 -21.392 16.685 14.612 1.00 0.00 C ATOM 1219 ND1 HIS A 82 -22.232 15.615 14.834 1.00 0.00 N ATOM 1220 CD2 HIS A 82 -22.064 17.783 15.031 1.00 0.00 C ATOM 1221 CE1 HIS A 82 -23.363 16.048 15.363 1.00 0.00 C ATOM 1222 NE2 HIS A 82 -23.286 17.360 15.493 1.00 0.00 N ATOM 0 H HIS A 82 -17.767 15.819 13.310 1.00 0.00 H new ATOM 0 HA HIS A 82 -18.812 16.776 15.778 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -19.700 17.508 13.635 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -20.075 15.862 13.168 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -21.706 18.802 15.006 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -24.206 15.434 15.642 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -24.016 17.962 15.875 1.00 0.00 H new ATOM 1230 N ALA A 83 -19.566 13.670 14.912 1.00 0.00 N ATOM 1231 CA ALA A 83 -20.035 12.393 15.435 1.00 0.00 C ATOM 1232 C ALA A 83 -19.178 11.933 16.610 1.00 0.00 C ATOM 1233 O ALA A 83 -19.621 11.137 17.438 1.00 0.00 O ATOM 1234 CB ALA A 83 -20.034 11.341 14.335 1.00 0.00 C ATOM 0 H ALA A 83 -19.311 13.654 13.925 1.00 0.00 H new ATOM 0 HA ALA A 83 -21.055 12.527 15.794 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -20.386 10.392 14.739 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -20.693 11.659 13.527 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -19.022 11.218 13.950 1.00 0.00 H new ATOM 1240 N GLN A 84 -17.950 12.438 16.674 1.00 0.00 N ATOM 1241 CA GLN A 84 -17.032 12.076 17.747 1.00 0.00 C ATOM 1242 C GLN A 84 -17.271 12.939 18.982 1.00 0.00 C ATOM 1243 O GLN A 84 -16.975 12.530 20.106 1.00 0.00 O ATOM 1244 CB GLN A 84 -15.583 12.226 17.279 1.00 0.00 C ATOM 1245 CG GLN A 84 -15.165 11.185 16.254 1.00 0.00 C ATOM 1246 CD GLN A 84 -14.503 9.976 16.886 1.00 0.00 C ATOM 1247 OE1 GLN A 84 -14.910 8.838 16.652 1.00 0.00 O ATOM 1248 NE2 GLN A 84 -13.477 10.217 17.694 1.00 0.00 N ATOM 0 H GLN A 84 -17.569 13.098 15.996 1.00 0.00 H new ATOM 0 HA GLN A 84 -17.215 11.035 18.012 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -15.449 13.220 16.851 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -14.922 12.159 18.143 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -16.041 10.862 15.692 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -14.478 11.639 15.540 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -13.173 11.176 17.860 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -12.993 9.443 18.149 1.00 0.00 H new ATOM 1257 N LEU A 85 -17.809 14.134 18.767 1.00 0.00 N ATOM 1258 CA LEU A 85 -18.089 15.056 19.863 1.00 0.00 C ATOM 1259 C LEU A 85 -19.500 14.848 20.403 1.00 0.00 C ATOM 1260 O LEU A 85 -19.765 15.082 21.583 1.00 0.00 O ATOM 1261 CB LEU A 85 -17.917 16.502 19.396 1.00 0.00 C ATOM 1262 CG LEU A 85 -16.533 17.117 19.608 1.00 0.00 C ATOM 1263 CD1 LEU A 85 -16.415 18.436 18.860 1.00 0.00 C ATOM 1264 CD2 LEU A 85 -16.260 17.316 21.092 1.00 0.00 C ATOM 0 H LEU A 85 -18.060 14.488 17.844 1.00 0.00 H new ATOM 0 HA LEU A 85 -17.380 14.853 20.665 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -18.155 16.550 18.333 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -18.650 17.120 19.915 1.00 0.00 H new ATOM 0 HG LEU A 85 -15.786 16.430 19.211 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -15.424 18.859 19.022 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -16.566 18.265 17.794 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -17.171 19.131 19.227 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -15.271 17.754 21.224 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -17.012 17.983 21.514 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -16.301 16.353 21.602 1.00 0.00 H new ATOM 1276 N ARG A 86 -20.401 14.404 19.533 1.00 0.00 N ATOM 1277 CA ARG A 86 -21.785 14.163 19.923 1.00 0.00 C ATOM 1278 C ARG A 86 -21.876 13.013 20.922 1.00 0.00 C ATOM 1279 O ARG A 86 -22.810 12.945 21.722 1.00 0.00 O ATOM 1280 CB ARG A 86 -22.638 13.852 18.692 1.00 0.00 C ATOM 1281 CG ARG A 86 -22.448 12.440 18.160 1.00 0.00 C ATOM 1282 CD ARG A 86 -23.476 11.483 18.742 1.00 0.00 C ATOM 1283 NE ARG A 86 -22.980 10.110 18.789 1.00 0.00 N ATOM 1284 CZ ARG A 86 -23.771 9.046 18.875 1.00 0.00 C ATOM 1285 NH1 ARG A 86 -25.087 9.196 18.922 1.00 0.00 N ATOM 1286 NH2 ARG A 86 -23.245 7.828 18.913 1.00 0.00 N ATOM 0 H ARG A 86 -20.198 14.204 18.554 1.00 0.00 H new ATOM 0 HA ARG A 86 -22.164 15.067 20.400 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -23.689 13.999 18.942 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -22.396 14.564 17.903 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -22.529 12.446 17.073 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -21.445 12.090 18.403 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -23.744 11.806 19.748 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -24.386 11.520 18.143 1.00 0.00 H new ATOM 0 HE ARG A 86 -21.972 9.960 18.754 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -25.495 10.130 18.892 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -25.692 8.377 18.988 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -22.233 7.708 18.876 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -23.853 7.012 18.979 1.00 0.00 H new ATOM 1300 N ASP A 87 -20.902 12.112 20.869 1.00 0.00 N ATOM 1301 CA ASP A 87 -20.871 10.964 21.768 1.00 0.00 C ATOM 1302 C ASP A 87 -20.318 11.359 23.134 1.00 0.00 C ATOM 1303 O ASP A 87 -20.805 10.903 24.169 1.00 0.00 O ATOM 1304 CB ASP A 87 -20.026 9.840 21.167 1.00 0.00 C ATOM 1305 CG ASP A 87 -20.873 8.696 20.645 1.00 0.00 C ATOM 1306 OD1 ASP A 87 -21.875 8.349 21.305 1.00 0.00 O ATOM 1307 OD2 ASP A 87 -20.533 8.147 19.577 1.00 0.00 O ATOM 0 H ASP A 87 -20.123 12.154 20.212 1.00 0.00 H new ATOM 0 HA ASP A 87 -21.893 10.608 21.898 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -19.420 10.240 20.354 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -19.337 9.463 21.923 1.00 0.00 H new ATOM 1312 N LEU A 88 -19.296 12.209 23.129 1.00 0.00 N ATOM 1313 CA LEU A 88 -18.675 12.665 24.368 1.00 0.00 C ATOM 1314 C LEU A 88 -19.700 13.336 25.276 1.00 0.00 C ATOM 1315 O LEU A 88 -19.838 12.977 26.447 1.00 0.00 O ATOM 1316 CB LEU A 88 -17.534 13.637 24.061 1.00 0.00 C ATOM 1317 CG LEU A 88 -16.298 13.033 23.395 1.00 0.00 C ATOM 1318 CD1 LEU A 88 -15.588 14.073 22.543 1.00 0.00 C ATOM 1319 CD2 LEU A 88 -15.352 12.464 24.442 1.00 0.00 C ATOM 0 H LEU A 88 -18.880 12.596 22.282 1.00 0.00 H new ATOM 0 HA LEU A 88 -18.273 11.795 24.887 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -17.920 14.427 23.416 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -17.225 14.109 24.994 1.00 0.00 H new ATOM 0 HG LEU A 88 -16.621 12.220 22.745 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -14.711 13.624 22.077 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -16.266 14.433 21.769 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -15.278 14.908 23.171 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -14.478 12.038 23.949 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -15.037 13.259 25.118 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -15.863 11.687 25.010 1.00 0.00 H new ATOM 1331 N THR A 89 -20.420 14.311 24.730 1.00 0.00 N ATOM 1332 CA THR A 89 -21.433 15.031 25.490 1.00 0.00 C ATOM 1333 C THR A 89 -22.734 14.240 25.559 1.00 0.00 C ATOM 1334 O THR A 89 -23.511 14.385 26.503 1.00 0.00 O ATOM 1335 CB THR A 89 -21.718 16.415 24.876 1.00 0.00 C ATOM 1336 OG1 THR A 89 -22.321 16.263 23.586 1.00 0.00 O ATOM 1337 CG2 THR A 89 -20.437 17.225 24.751 1.00 0.00 C ATOM 0 H THR A 89 -20.320 14.620 23.763 1.00 0.00 H new ATOM 0 HA THR A 89 -21.038 15.163 26.497 1.00 0.00 H new ATOM 0 HB THR A 89 -22.403 16.948 25.536 1.00 0.00 H new ATOM 0 HG1 THR A 89 -22.501 17.147 23.203 1.00 0.00 H new ATOM 0 HG21 THR A 89 -20.663 18.198 24.315 1.00 0.00 H new ATOM 0 HG22 THR A 89 -19.996 17.363 25.738 1.00 0.00 H new ATOM 0 HG23 THR A 89 -19.733 16.695 24.110 1.00 0.00 H new ATOM 1345 N SER A 90 -22.966 13.403 24.553 1.00 0.00 N ATOM 1346 CA SER A 90 -24.176 12.591 24.498 1.00 0.00 C ATOM 1347 C SER A 90 -25.422 13.471 24.506 1.00 0.00 C ATOM 1348 O SER A 90 -25.902 13.877 25.564 1.00 0.00 O ATOM 1349 CB SER A 90 -24.217 11.619 25.678 1.00 0.00 C ATOM 1350 OG SER A 90 -23.035 10.840 25.739 1.00 0.00 O ATOM 0 H SER A 90 -22.332 13.269 23.765 1.00 0.00 H new ATOM 0 HA SER A 90 -24.160 12.022 23.568 1.00 0.00 H new ATOM 0 HB2 SER A 90 -24.338 12.176 26.607 1.00 0.00 H new ATOM 0 HB3 SER A 90 -25.083 10.964 25.584 1.00 0.00 H new ATOM 0 HG SER A 90 -22.466 11.047 24.968 1.00 0.00 H new ATOM 1356 N SER A 91 -25.942 13.762 23.317 1.00 0.00 N ATOM 1357 CA SER A 91 -27.130 14.597 23.186 1.00 0.00 C ATOM 1358 C SER A 91 -28.326 13.771 22.722 1.00 0.00 C ATOM 1359 O SER A 91 -28.184 12.604 22.357 1.00 0.00 O ATOM 1360 CB SER A 91 -26.870 15.738 22.200 1.00 0.00 C ATOM 1361 OG SER A 91 -25.565 16.266 22.363 1.00 0.00 O ATOM 0 H SER A 91 -25.559 13.432 22.431 1.00 0.00 H new ATOM 0 HA SER A 91 -27.359 15.017 24.165 1.00 0.00 H new ATOM 0 HB2 SER A 91 -26.994 15.376 21.179 1.00 0.00 H new ATOM 0 HB3 SER A 91 -27.606 16.527 22.350 1.00 0.00 H new ATOM 0 HG SER A 91 -25.423 16.992 21.720 1.00 0.00 H new ATOM 1367 N SER A 92 -29.504 14.387 22.739 1.00 0.00 N ATOM 1368 CA SER A 92 -30.726 13.709 22.324 1.00 0.00 C ATOM 1369 C SER A 92 -30.975 12.467 23.175 1.00 0.00 C ATOM 1370 O SER A 92 -32.112 12.163 23.530 1.00 0.00 O ATOM 1371 CB SER A 92 -30.642 13.319 20.846 1.00 0.00 C ATOM 1372 OG SER A 92 -31.077 14.381 20.014 1.00 0.00 O ATOM 0 H SER A 92 -29.638 15.354 23.036 1.00 0.00 H new ATOM 0 HA SER A 92 -31.559 14.398 22.465 1.00 0.00 H new ATOM 0 HB2 SER A 92 -29.615 13.053 20.594 1.00 0.00 H new ATOM 0 HB3 SER A 92 -31.254 12.436 20.664 1.00 0.00 H new ATOM 0 HG SER A 92 -31.012 14.108 19.075 1.00 0.00 H new TER 1378 SER A 92