USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 646 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 25 ASN : amide:sc= -0.211 X(o=-0.82,f=-0.58) USER MOD Set 1.2: A 27 ASN : amide:sc= -0.611 X(o=-0.82,f=-0.87) USER MOD Set 2.1: A 22 TYR OH : rot -30:sc= 0 USER MOD Set 2.2: A 41 GLN : amide:sc= -1.11 K(o=-1.1,f=-2.4!) USER MOD Set 3.1: A 14 ASN : amide:sc= -2.85! C(o=-3!,f=-13!) USER MOD Set 3.2: A 20 TYR OH : rot 30:sc= -0.139 USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.095 (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 9 GLN : amide:sc= -0.195 X(o=-0.2,f=-0.2) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 140:sc= -0.682 USER MOD Single : A 28 SER OG : rot 180:sc= -0.0569 USER MOD Single : A 34 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.253) USER MOD Single : A 35 GLN : amide:sc= 0.107! K(o=0.11!,f=-1.1) USER MOD Single : A 36 GLN : amide:sc= 0.688 K(o=0.69,f=0) USER MOD Single : A 40 GLN : amide:sc= -0.0205 K(o=-0.021,f=-1.5!) USER MOD Single : A 45 LYS NZ :NH3+ -136:sc= -1.58 (180deg=-5.23!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.579 X(o=-0.58,f=-0.18) USER MOD Single : A 48 GLN : amide:sc= -4.58 K(o=-4.6,f=-11!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= 0.014 X(o=0.014,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.837 X(o=-0.84,f=-0.55) USER MOD Single : A 58 GLN : amide:sc= -0.149 X(o=-0.15,f=0.047) USER MOD Single : A 66 TYR OH : rot -95:sc= 0.356 USER MOD Single : A 69 GLN : amide:sc= 0.026 X(o=0.026,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 153:sc= 0.265 (180deg=0.0604) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 30:sc= 0.106 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.831 11.544 -10.276 1.00 0.00 N ATOM 2 CA GLY A 1 -11.903 10.513 -9.257 1.00 0.00 C ATOM 3 C GLY A 1 -11.526 9.144 -9.790 1.00 0.00 C ATOM 4 O GLY A 1 -11.346 8.968 -10.995 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.182 12.295 -9.965 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.481 11.131 -11.164 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.778 11.946 -10.430 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.239 10.774 -8.433 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.914 10.476 -8.852 1.00 0.00 H new ATOM 8 N SER A 2 -11.403 8.174 -8.890 1.00 0.00 N ATOM 9 CA SER A 2 -11.040 6.815 -9.275 1.00 0.00 C ATOM 10 C SER A 2 -11.792 5.791 -8.431 1.00 0.00 C ATOM 11 O SER A 2 -12.383 6.130 -7.406 1.00 0.00 O ATOM 12 CB SER A 2 -9.531 6.607 -9.127 1.00 0.00 C ATOM 13 OG SER A 2 -8.822 7.255 -10.168 1.00 0.00 O ATOM 0 H SER A 2 -11.549 8.304 -7.889 1.00 0.00 H new ATOM 0 HA SER A 2 -11.319 6.673 -10.319 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.201 6.993 -8.163 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.305 5.541 -9.138 1.00 0.00 H new ATOM 0 HG SER A 2 -7.860 7.108 -10.049 1.00 0.00 H new ATOM 19 N SER A 3 -11.764 4.537 -8.870 1.00 0.00 N ATOM 20 CA SER A 3 -12.446 3.463 -8.158 1.00 0.00 C ATOM 21 C SER A 3 -11.887 2.102 -8.563 1.00 0.00 C ATOM 22 O SER A 3 -11.151 1.987 -9.542 1.00 0.00 O ATOM 23 CB SER A 3 -13.950 3.512 -8.436 1.00 0.00 C ATOM 24 OG SER A 3 -14.687 2.986 -7.347 1.00 0.00 O ATOM 0 H SER A 3 -11.276 4.240 -9.715 1.00 0.00 H new ATOM 0 HA SER A 3 -12.276 3.604 -7.091 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.255 4.542 -8.622 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.175 2.945 -9.339 1.00 0.00 H new ATOM 0 HG SER A 3 -15.645 3.030 -7.549 1.00 0.00 H new ATOM 30 N GLY A 4 -12.243 1.072 -7.800 1.00 0.00 N ATOM 31 CA GLY A 4 -11.768 -0.267 -8.094 1.00 0.00 C ATOM 32 C GLY A 4 -12.267 -1.292 -7.095 1.00 0.00 C ATOM 33 O GLY A 4 -11.917 -1.241 -5.916 1.00 0.00 O ATOM 0 H GLY A 4 -12.851 1.142 -6.984 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.092 -0.552 -9.095 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.678 -0.270 -8.099 1.00 0.00 H new ATOM 37 N SER A 5 -13.089 -2.224 -7.565 1.00 0.00 N ATOM 38 CA SER A 5 -13.642 -3.262 -6.703 1.00 0.00 C ATOM 39 C SER A 5 -12.539 -3.945 -5.900 1.00 0.00 C ATOM 40 O SER A 5 -12.747 -4.344 -4.754 1.00 0.00 O ATOM 41 CB SER A 5 -14.399 -4.298 -7.537 1.00 0.00 C ATOM 42 OG SER A 5 -13.529 -4.959 -8.440 1.00 0.00 O ATOM 0 H SER A 5 -13.387 -2.282 -8.539 1.00 0.00 H new ATOM 0 HA SER A 5 -14.336 -2.791 -6.007 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.867 -5.029 -6.878 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.200 -3.809 -8.091 1.00 0.00 H new ATOM 0 HG SER A 5 -14.036 -5.617 -8.960 1.00 0.00 H new ATOM 48 N SER A 6 -11.366 -4.077 -6.511 1.00 0.00 N ATOM 49 CA SER A 6 -10.231 -4.716 -5.856 1.00 0.00 C ATOM 50 C SER A 6 -9.251 -3.672 -5.327 1.00 0.00 C ATOM 51 O SER A 6 -8.928 -2.704 -6.014 1.00 0.00 O ATOM 52 CB SER A 6 -9.516 -5.656 -6.828 1.00 0.00 C ATOM 53 OG SER A 6 -8.677 -6.564 -6.136 1.00 0.00 O ATOM 0 H SER A 6 -11.177 -3.750 -7.458 1.00 0.00 H new ATOM 0 HA SER A 6 -10.609 -5.295 -5.014 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.252 -6.209 -7.412 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.923 -5.073 -7.533 1.00 0.00 H new ATOM 0 HG SER A 6 -8.233 -7.155 -6.780 1.00 0.00 H new ATOM 59 N GLY A 7 -8.783 -3.877 -4.100 1.00 0.00 N ATOM 60 CA GLY A 7 -7.845 -2.947 -3.498 1.00 0.00 C ATOM 61 C GLY A 7 -8.516 -1.991 -2.533 1.00 0.00 C ATOM 62 O GLY A 7 -9.734 -1.811 -2.572 1.00 0.00 O ATOM 0 H GLY A 7 -9.037 -4.671 -3.512 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.071 -3.506 -2.972 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.349 -2.377 -4.283 1.00 0.00 H new ATOM 66 N ILE A 8 -7.722 -1.376 -1.663 1.00 0.00 N ATOM 67 CA ILE A 8 -8.247 -0.434 -0.683 1.00 0.00 C ATOM 68 C ILE A 8 -7.814 0.992 -1.005 1.00 0.00 C ATOM 69 O ILE A 8 -6.779 1.209 -1.635 1.00 0.00 O ATOM 70 CB ILE A 8 -7.785 -0.789 0.743 1.00 0.00 C ATOM 71 CG1 ILE A 8 -6.274 -0.592 0.877 1.00 0.00 C ATOM 72 CG2 ILE A 8 -8.171 -2.221 1.083 1.00 0.00 C ATOM 73 CD1 ILE A 8 -5.818 -0.371 2.303 1.00 0.00 C ATOM 0 H ILE A 8 -6.712 -1.513 -1.617 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.334 -0.501 -0.731 1.00 0.00 H new ATOM 0 HB ILE A 8 -8.283 -0.122 1.447 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.764 -1.466 0.472 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.972 0.262 0.271 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.838 -2.457 2.094 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.254 -2.330 1.023 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.698 -2.903 0.376 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.736 -0.239 2.323 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.300 0.520 2.705 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.089 -1.235 2.910 1.00 0.00 H new ATOM 85 N GLN A 9 -8.612 1.960 -0.566 1.00 0.00 N ATOM 86 CA GLN A 9 -8.310 3.367 -0.807 1.00 0.00 C ATOM 87 C GLN A 9 -7.924 4.071 0.490 1.00 0.00 C ATOM 88 O GLN A 9 -8.731 4.178 1.414 1.00 0.00 O ATOM 89 CB GLN A 9 -9.512 4.066 -1.443 1.00 0.00 C ATOM 90 CG GLN A 9 -9.185 5.433 -2.022 1.00 0.00 C ATOM 91 CD GLN A 9 -10.415 6.167 -2.519 1.00 0.00 C ATOM 92 OE1 GLN A 9 -11.327 6.466 -1.748 1.00 0.00 O ATOM 93 NE2 GLN A 9 -10.446 6.461 -3.814 1.00 0.00 N ATOM 0 H GLN A 9 -9.472 1.797 -0.042 1.00 0.00 H new ATOM 0 HA GLN A 9 -7.464 3.419 -1.492 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.914 3.432 -2.234 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.296 4.176 -0.694 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.690 6.036 -1.261 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.480 5.315 -2.845 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -9.667 6.194 -4.416 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -11.248 6.954 -4.206 1.00 0.00 H new ATOM 102 N VAL A 10 -6.686 4.549 0.552 1.00 0.00 N ATOM 103 CA VAL A 10 -6.193 5.243 1.735 1.00 0.00 C ATOM 104 C VAL A 10 -5.936 6.717 1.440 1.00 0.00 C ATOM 105 O VAL A 10 -5.565 7.083 0.325 1.00 0.00 O ATOM 106 CB VAL A 10 -4.895 4.603 2.262 1.00 0.00 C ATOM 107 CG1 VAL A 10 -5.118 3.133 2.585 1.00 0.00 C ATOM 108 CG2 VAL A 10 -3.770 4.771 1.252 1.00 0.00 C ATOM 0 H VAL A 10 -6.006 4.468 -0.204 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.967 5.157 2.498 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.606 5.113 3.181 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.190 2.697 2.956 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.892 3.041 3.347 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -5.432 2.606 1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.861 4.313 1.641 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.047 4.288 0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.595 5.832 1.076 1.00 0.00 H new ATOM 118 N PHE A 11 -6.135 7.560 2.449 1.00 0.00 N ATOM 119 CA PHE A 11 -5.925 8.995 2.298 1.00 0.00 C ATOM 120 C PHE A 11 -4.584 9.414 2.893 1.00 0.00 C ATOM 121 O PHE A 11 -4.346 9.254 4.091 1.00 0.00 O ATOM 122 CB PHE A 11 -7.059 9.771 2.971 1.00 0.00 C ATOM 123 CG PHE A 11 -8.418 9.441 2.423 1.00 0.00 C ATOM 124 CD1 PHE A 11 -8.894 10.072 1.285 1.00 0.00 C ATOM 125 CD2 PHE A 11 -9.221 8.499 3.047 1.00 0.00 C ATOM 126 CE1 PHE A 11 -10.144 9.771 0.778 1.00 0.00 C ATOM 127 CE2 PHE A 11 -10.472 8.193 2.544 1.00 0.00 C ATOM 128 CZ PHE A 11 -10.934 8.830 1.409 1.00 0.00 C ATOM 0 H PHE A 11 -6.441 7.274 3.379 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.918 9.226 1.233 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -7.047 9.562 4.041 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.878 10.839 2.853 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -8.280 10.809 0.788 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -8.866 7.999 3.936 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -10.502 10.271 -0.110 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -11.088 7.456 3.038 1.00 0.00 H new ATOM 0 HZ PHE A 11 -11.911 8.593 1.015 1.00 0.00 H new ATOM 138 N VAL A 12 -3.710 9.951 2.048 1.00 0.00 N ATOM 139 CA VAL A 12 -2.393 10.394 2.489 1.00 0.00 C ATOM 140 C VAL A 12 -2.391 11.886 2.800 1.00 0.00 C ATOM 141 O VAL A 12 -2.331 12.720 1.896 1.00 0.00 O ATOM 142 CB VAL A 12 -1.317 10.101 1.426 1.00 0.00 C ATOM 143 CG1 VAL A 12 0.043 10.596 1.893 1.00 0.00 C ATOM 144 CG2 VAL A 12 -1.272 8.613 1.111 1.00 0.00 C ATOM 0 H VAL A 12 -3.890 10.090 1.054 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.159 9.836 3.396 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.578 10.635 0.512 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.790 10.380 1.130 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.001 11.671 2.065 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.315 10.091 2.820 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.507 8.423 0.358 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.035 8.056 2.018 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.242 8.292 0.731 1.00 0.00 H new ATOM 154 N LYS A 13 -2.456 12.217 4.085 1.00 0.00 N ATOM 155 CA LYS A 13 -2.460 13.610 4.518 1.00 0.00 C ATOM 156 C LYS A 13 -1.042 14.170 4.561 1.00 0.00 C ATOM 157 O LYS A 13 -0.237 13.782 5.406 1.00 0.00 O ATOM 158 CB LYS A 13 -3.111 13.735 5.897 1.00 0.00 C ATOM 159 CG LYS A 13 -3.668 15.119 6.183 1.00 0.00 C ATOM 160 CD LYS A 13 -4.482 15.138 7.466 1.00 0.00 C ATOM 161 CE LYS A 13 -4.809 16.559 7.898 1.00 0.00 C ATOM 162 NZ LYS A 13 -5.977 16.604 8.821 1.00 0.00 N ATOM 0 H LYS A 13 -2.507 11.539 4.846 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.038 14.187 3.796 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.916 13.005 5.977 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.375 13.483 6.661 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.848 15.833 6.260 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.293 15.440 5.350 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.406 14.579 7.320 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.927 14.635 8.258 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.941 16.998 8.390 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.018 17.167 7.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.167 17.590 9.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.812 16.209 8.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.768 16.045 9.673 1.00 0.00 H new ATOM 176 N ASN A 14 -0.744 15.086 3.645 1.00 0.00 N ATOM 177 CA ASN A 14 0.577 15.700 3.579 1.00 0.00 C ATOM 178 C ASN A 14 0.756 16.725 4.695 1.00 0.00 C ATOM 179 O ASN A 14 -0.206 17.303 5.202 1.00 0.00 O ATOM 180 CB ASN A 14 0.785 16.368 2.219 1.00 0.00 C ATOM 181 CG ASN A 14 -0.449 17.110 1.745 1.00 0.00 C ATOM 182 OD1 ASN A 14 -1.209 17.651 2.548 1.00 0.00 O ATOM 183 ND2 ASN A 14 -0.655 17.139 0.433 1.00 0.00 N ATOM 0 H ASN A 14 -1.400 15.419 2.938 1.00 0.00 H new ATOM 0 HA ASN A 14 1.322 14.915 3.708 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.622 17.064 2.283 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.056 15.611 1.483 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.469 17.623 0.055 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.001 16.677 -0.197 1.00 0.00 H new ATOM 190 N PRO A 15 2.017 16.959 5.087 1.00 0.00 N ATOM 191 CA PRO A 15 2.353 17.916 6.146 1.00 0.00 C ATOM 192 C PRO A 15 2.115 19.360 5.718 1.00 0.00 C ATOM 193 O PRO A 15 2.386 20.294 6.473 1.00 0.00 O ATOM 194 CB PRO A 15 3.844 17.669 6.388 1.00 0.00 C ATOM 195 CG PRO A 15 4.348 17.107 5.104 1.00 0.00 C ATOM 196 CD PRO A 15 3.213 16.307 4.528 1.00 0.00 C ATOM 0 HA PRO A 15 1.735 17.776 7.033 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.362 18.593 6.646 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.001 16.974 7.213 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.651 17.902 4.422 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.223 16.479 5.270 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.214 16.336 3.438 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.272 15.258 4.819 1.00 0.00 H new ATOM 204 N ASP A 16 1.606 19.536 4.504 1.00 0.00 N ATOM 205 CA ASP A 16 1.330 20.868 3.976 1.00 0.00 C ATOM 206 C ASP A 16 -0.069 21.329 4.371 1.00 0.00 C ATOM 207 O ASP A 16 -0.235 22.373 5.001 1.00 0.00 O ATOM 208 CB ASP A 16 1.473 20.876 2.454 1.00 0.00 C ATOM 209 CG ASP A 16 1.578 22.279 1.889 1.00 0.00 C ATOM 210 OD1 ASP A 16 2.707 22.809 1.822 1.00 0.00 O ATOM 211 OD2 ASP A 16 0.531 22.847 1.514 1.00 0.00 O ATOM 0 H ASP A 16 1.376 18.774 3.867 1.00 0.00 H new ATOM 0 HA ASP A 16 2.055 21.560 4.404 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.359 20.307 2.172 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.615 20.372 2.009 1.00 0.00 H new ATOM 216 N GLY A 17 -1.074 20.543 3.995 1.00 0.00 N ATOM 217 CA GLY A 17 -2.446 20.889 4.317 1.00 0.00 C ATOM 218 C GLY A 17 -3.440 20.282 3.347 1.00 0.00 C ATOM 219 O GLY A 17 -4.338 20.966 2.858 1.00 0.00 O ATOM 0 H GLY A 17 -0.962 19.674 3.474 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.675 20.550 5.327 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.555 21.974 4.312 1.00 0.00 H new ATOM 223 N GLY A 18 -3.279 18.993 3.065 1.00 0.00 N ATOM 224 CA GLY A 18 -4.175 18.316 2.146 1.00 0.00 C ATOM 225 C GLY A 18 -4.039 16.807 2.209 1.00 0.00 C ATOM 226 O GLY A 18 -3.191 16.283 2.930 1.00 0.00 O ATOM 0 H GLY A 18 -2.543 18.405 3.457 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.204 18.595 2.375 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.972 18.654 1.130 1.00 0.00 H new ATOM 230 N SER A 19 -4.878 16.107 1.452 1.00 0.00 N ATOM 231 CA SER A 19 -4.852 14.650 1.429 1.00 0.00 C ATOM 232 C SER A 19 -5.205 14.122 0.041 1.00 0.00 C ATOM 233 O SER A 19 -6.067 14.672 -0.643 1.00 0.00 O ATOM 234 CB SER A 19 -5.825 14.084 2.465 1.00 0.00 C ATOM 235 OG SER A 19 -5.563 12.714 2.717 1.00 0.00 O ATOM 0 H SER A 19 -5.584 16.526 0.847 1.00 0.00 H new ATOM 0 HA SER A 19 -3.841 14.326 1.676 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.742 14.650 3.393 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.849 14.202 2.110 1.00 0.00 H new ATOM 0 HG SER A 19 -5.659 12.533 3.675 1.00 0.00 H new ATOM 241 N TYR A 20 -4.531 13.052 -0.367 1.00 0.00 N ATOM 242 CA TYR A 20 -4.771 12.451 -1.673 1.00 0.00 C ATOM 243 C TYR A 20 -5.122 10.972 -1.536 1.00 0.00 C ATOM 244 O TYR A 20 -4.434 10.221 -0.845 1.00 0.00 O ATOM 245 CB TYR A 20 -3.540 12.613 -2.566 1.00 0.00 C ATOM 246 CG TYR A 20 -2.913 13.987 -2.489 1.00 0.00 C ATOM 247 CD1 TYR A 20 -3.657 15.129 -2.758 1.00 0.00 C ATOM 248 CD2 TYR A 20 -1.575 14.143 -2.145 1.00 0.00 C ATOM 249 CE1 TYR A 20 -3.088 16.385 -2.689 1.00 0.00 C ATOM 250 CE2 TYR A 20 -0.998 15.396 -2.072 1.00 0.00 C ATOM 251 CZ TYR A 20 -1.758 16.514 -2.346 1.00 0.00 C ATOM 252 OH TYR A 20 -1.188 17.764 -2.274 1.00 0.00 O ATOM 0 H TYR A 20 -3.815 12.584 0.188 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.615 12.966 -2.132 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -2.797 11.867 -2.285 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.821 12.409 -3.599 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.699 15.033 -3.026 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -0.977 13.270 -1.931 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.681 17.262 -2.902 1.00 0.00 H new ATOM 0 HE2 TYR A 20 0.043 15.500 -1.802 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.869 18.420 -2.017 1.00 0.00 H new ATOM 262 N ALA A 21 -6.197 10.562 -2.200 1.00 0.00 N ATOM 263 CA ALA A 21 -6.639 9.174 -2.155 1.00 0.00 C ATOM 264 C ALA A 21 -5.772 8.292 -3.047 1.00 0.00 C ATOM 265 O ALA A 21 -5.783 8.429 -4.271 1.00 0.00 O ATOM 266 CB ALA A 21 -8.100 9.071 -2.569 1.00 0.00 C ATOM 0 H ALA A 21 -6.778 11.171 -2.776 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.537 8.820 -1.129 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.416 8.029 -2.531 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.713 9.662 -1.889 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.218 9.449 -3.585 1.00 0.00 H new ATOM 272 N TYR A 22 -5.021 7.389 -2.427 1.00 0.00 N ATOM 273 CA TYR A 22 -4.144 6.488 -3.166 1.00 0.00 C ATOM 274 C TYR A 22 -4.774 5.105 -3.300 1.00 0.00 C ATOM 275 O TYR A 22 -5.602 4.705 -2.482 1.00 0.00 O ATOM 276 CB TYR A 22 -2.787 6.377 -2.468 1.00 0.00 C ATOM 277 CG TYR A 22 -1.851 7.523 -2.779 1.00 0.00 C ATOM 278 CD1 TYR A 22 -1.966 8.738 -2.116 1.00 0.00 C ATOM 279 CD2 TYR A 22 -0.852 7.389 -3.735 1.00 0.00 C ATOM 280 CE1 TYR A 22 -1.113 9.788 -2.397 1.00 0.00 C ATOM 281 CE2 TYR A 22 0.006 8.434 -4.021 1.00 0.00 C ATOM 282 CZ TYR A 22 -0.129 9.631 -3.350 1.00 0.00 C ATOM 283 OH TYR A 22 0.723 10.674 -3.632 1.00 0.00 O ATOM 0 H TYR A 22 -5.002 7.261 -1.415 1.00 0.00 H new ATOM 0 HA TYR A 22 -3.999 6.900 -4.165 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.945 6.330 -1.391 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.312 5.441 -2.762 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.735 8.864 -1.368 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.744 6.453 -4.263 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.216 10.727 -1.873 1.00 0.00 H new ATOM 0 HE2 TYR A 22 0.778 8.314 -4.766 1.00 0.00 H new ATOM 0 HH TYR A 22 0.260 11.524 -3.482 1.00 0.00 H new ATOM 293 N ALA A 23 -4.374 4.378 -4.338 1.00 0.00 N ATOM 294 CA ALA A 23 -4.896 3.038 -4.580 1.00 0.00 C ATOM 295 C ALA A 23 -3.788 1.994 -4.494 1.00 0.00 C ATOM 296 O ALA A 23 -2.796 2.066 -5.220 1.00 0.00 O ATOM 297 CB ALA A 23 -5.579 2.975 -5.938 1.00 0.00 C ATOM 0 H ALA A 23 -3.690 4.694 -5.025 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.630 2.815 -3.806 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.964 1.969 -6.105 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.403 3.688 -5.964 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.860 3.223 -6.719 1.00 0.00 H new ATOM 303 N ILE A 24 -3.964 1.024 -3.602 1.00 0.00 N ATOM 304 CA ILE A 24 -2.979 -0.035 -3.422 1.00 0.00 C ATOM 305 C ILE A 24 -3.610 -1.272 -2.792 1.00 0.00 C ATOM 306 O ILE A 24 -4.445 -1.166 -1.895 1.00 0.00 O ATOM 307 CB ILE A 24 -1.804 0.432 -2.543 1.00 0.00 C ATOM 308 CG1 ILE A 24 -0.829 -0.722 -2.301 1.00 0.00 C ATOM 309 CG2 ILE A 24 -2.318 0.985 -1.222 1.00 0.00 C ATOM 310 CD1 ILE A 24 0.559 -0.268 -1.906 1.00 0.00 C ATOM 0 H ILE A 24 -4.779 0.950 -2.993 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.603 -0.287 -4.413 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.273 1.228 -3.065 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.228 -1.366 -1.518 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.761 -1.325 -3.206 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.476 1.311 -0.612 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.977 1.832 -1.414 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.870 0.209 -0.693 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.196 -1.139 -1.751 1.00 0.00 H new ATOM 0 HD12 ILE A 24 0.978 0.352 -2.699 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.504 0.310 -0.984 1.00 0.00 H new ATOM 322 N ASN A 25 -3.204 -2.444 -3.268 1.00 0.00 N ATOM 323 CA ASN A 25 -3.729 -3.702 -2.750 1.00 0.00 C ATOM 324 C ASN A 25 -3.386 -3.868 -1.273 1.00 0.00 C ATOM 325 O ASN A 25 -2.316 -3.473 -0.810 1.00 0.00 O ATOM 326 CB ASN A 25 -3.170 -4.880 -3.550 1.00 0.00 C ATOM 327 CG ASN A 25 -3.972 -5.158 -4.807 1.00 0.00 C ATOM 328 OD1 ASN A 25 -4.275 -4.247 -5.578 1.00 0.00 O ATOM 329 ND2 ASN A 25 -4.320 -6.422 -5.020 1.00 0.00 N ATOM 0 H ASN A 25 -2.513 -2.549 -4.011 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.814 -3.683 -2.853 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.135 -4.673 -3.821 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.163 -5.771 -2.922 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.860 -6.670 -5.849 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.047 -7.145 -4.354 1.00 0.00 H new ATOM 336 N PRO A 26 -4.315 -4.468 -0.513 1.00 0.00 N ATOM 337 CA PRO A 26 -4.134 -4.701 0.923 1.00 0.00 C ATOM 338 C PRO A 26 -3.075 -5.760 1.209 1.00 0.00 C ATOM 339 O PRO A 26 -2.525 -5.820 2.307 1.00 0.00 O ATOM 340 CB PRO A 26 -5.512 -5.185 1.380 1.00 0.00 C ATOM 341 CG PRO A 26 -6.132 -5.773 0.160 1.00 0.00 C ATOM 342 CD PRO A 26 -5.614 -4.965 -0.998 1.00 0.00 C ATOM 0 HA PRO A 26 -3.788 -3.806 1.441 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -5.428 -5.924 2.176 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -6.111 -4.362 1.771 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -5.864 -6.824 0.054 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -7.220 -5.726 0.213 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.502 -5.574 -1.895 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.288 -4.147 -1.251 1.00 0.00 H new ATOM 350 N ASN A 27 -2.795 -6.595 0.212 1.00 0.00 N ATOM 351 CA ASN A 27 -1.802 -7.652 0.358 1.00 0.00 C ATOM 352 C ASN A 27 -0.408 -7.142 0.005 1.00 0.00 C ATOM 353 O ASN A 27 0.598 -7.705 0.436 1.00 0.00 O ATOM 354 CB ASN A 27 -2.161 -8.844 -0.532 1.00 0.00 C ATOM 355 CG ASN A 27 -2.872 -8.422 -1.804 1.00 0.00 C ATOM 356 OD1 ASN A 27 -4.090 -8.244 -1.817 1.00 0.00 O ATOM 357 ND2 ASN A 27 -2.112 -8.261 -2.881 1.00 0.00 N ATOM 0 H ASN A 27 -3.242 -6.559 -0.704 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.799 -7.972 1.400 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.252 -9.388 -0.790 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.797 -9.532 0.025 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -2.534 -7.979 -3.766 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.106 -8.420 -2.824 1.00 0.00 H new ATOM 364 N SER A 28 -0.357 -6.071 -0.781 1.00 0.00 N ATOM 365 CA SER A 28 0.913 -5.486 -1.195 1.00 0.00 C ATOM 366 C SER A 28 1.728 -5.046 0.017 1.00 0.00 C ATOM 367 O SER A 28 1.249 -5.087 1.151 1.00 0.00 O ATOM 368 CB SER A 28 0.671 -4.294 -2.122 1.00 0.00 C ATOM 369 OG SER A 28 1.873 -3.888 -2.755 1.00 0.00 O ATOM 0 H SER A 28 -1.181 -5.591 -1.144 1.00 0.00 H new ATOM 0 HA SER A 28 1.478 -6.247 -1.734 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.069 -4.560 -2.877 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.258 -3.463 -1.550 1.00 0.00 H new ATOM 0 HG SER A 28 1.691 -3.126 -3.344 1.00 0.00 H new ATOM 375 N PHE A 29 2.964 -4.625 -0.230 1.00 0.00 N ATOM 376 CA PHE A 29 3.848 -4.177 0.840 1.00 0.00 C ATOM 377 C PHE A 29 3.762 -2.664 1.019 1.00 0.00 C ATOM 378 O PHE A 29 3.548 -1.926 0.057 1.00 0.00 O ATOM 379 CB PHE A 29 5.292 -4.586 0.541 1.00 0.00 C ATOM 380 CG PHE A 29 5.454 -6.052 0.259 1.00 0.00 C ATOM 381 CD1 PHE A 29 5.263 -6.990 1.261 1.00 0.00 C ATOM 382 CD2 PHE A 29 5.797 -6.493 -1.009 1.00 0.00 C ATOM 383 CE1 PHE A 29 5.412 -8.339 1.004 1.00 0.00 C ATOM 384 CE2 PHE A 29 5.947 -7.842 -1.273 1.00 0.00 C ATOM 385 CZ PHE A 29 5.754 -8.766 -0.265 1.00 0.00 C ATOM 0 H PHE A 29 3.376 -4.585 -1.162 1.00 0.00 H new ATOM 0 HA PHE A 29 3.527 -4.653 1.767 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.652 -4.017 -0.316 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.921 -4.316 1.389 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.994 -6.662 2.254 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.949 -5.774 -1.801 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.261 -9.060 1.794 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.215 -8.172 -2.266 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.870 -9.820 -0.468 1.00 0.00 H new ATOM 395 N ILE A 30 3.931 -2.211 2.256 1.00 0.00 N ATOM 396 CA ILE A 30 3.874 -0.787 2.562 1.00 0.00 C ATOM 397 C ILE A 30 4.708 0.022 1.574 1.00 0.00 C ATOM 398 O ILE A 30 4.201 0.929 0.913 1.00 0.00 O ATOM 399 CB ILE A 30 4.368 -0.497 3.991 1.00 0.00 C ATOM 400 CG1 ILE A 30 3.318 -0.933 5.016 1.00 0.00 C ATOM 401 CG2 ILE A 30 4.690 0.981 4.151 1.00 0.00 C ATOM 402 CD1 ILE A 30 2.086 -0.056 5.028 1.00 0.00 C ATOM 0 H ILE A 30 4.109 -2.809 3.063 1.00 0.00 H new ATOM 0 HA ILE A 30 2.829 -0.489 2.481 1.00 0.00 H new ATOM 0 HB ILE A 30 5.279 -1.068 4.167 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.021 -1.960 4.805 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.767 -0.928 6.009 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.038 1.170 5.167 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.469 1.262 3.442 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.794 1.571 3.959 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.385 -0.423 5.778 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.371 0.968 5.269 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.613 -0.080 4.046 1.00 0.00 H new ATOM 414 N LEU A 31 5.989 -0.314 1.477 1.00 0.00 N ATOM 415 CA LEU A 31 6.895 0.379 0.567 1.00 0.00 C ATOM 416 C LEU A 31 6.210 0.675 -0.763 1.00 0.00 C ATOM 417 O LEU A 31 6.331 1.773 -1.304 1.00 0.00 O ATOM 418 CB LEU A 31 8.152 -0.459 0.331 1.00 0.00 C ATOM 419 CG LEU A 31 9.433 0.321 0.031 1.00 0.00 C ATOM 420 CD1 LEU A 31 9.888 1.092 1.260 1.00 0.00 C ATOM 421 CD2 LEU A 31 10.530 -0.618 -0.448 1.00 0.00 C ATOM 0 H LEU A 31 6.424 -1.062 2.017 1.00 0.00 H new ATOM 0 HA LEU A 31 7.178 1.326 1.027 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.324 -1.076 1.213 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.961 -1.138 -0.500 1.00 0.00 H new ATOM 0 HG LEU A 31 9.222 1.036 -0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.801 1.641 1.028 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.109 1.793 1.559 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.081 0.395 2.076 1.00 0.00 H new ATOM 0 HD21 LEU A 31 11.434 -0.045 -0.657 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.739 -1.357 0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.204 -1.125 -1.356 1.00 0.00 H new ATOM 433 N GLY A 32 5.488 -0.313 -1.284 1.00 0.00 N ATOM 434 CA GLY A 32 4.792 -0.137 -2.545 1.00 0.00 C ATOM 435 C GLY A 32 4.012 1.161 -2.602 1.00 0.00 C ATOM 436 O GLY A 32 4.094 1.901 -3.583 1.00 0.00 O ATOM 0 H GLY A 32 5.373 -1.231 -0.855 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.514 -0.159 -3.361 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.111 -0.974 -2.700 1.00 0.00 H new ATOM 440 N LEU A 33 3.251 1.438 -1.548 1.00 0.00 N ATOM 441 CA LEU A 33 2.451 2.656 -1.482 1.00 0.00 C ATOM 442 C LEU A 33 3.340 3.895 -1.509 1.00 0.00 C ATOM 443 O LEU A 33 3.103 4.826 -2.278 1.00 0.00 O ATOM 444 CB LEU A 33 1.593 2.658 -0.215 1.00 0.00 C ATOM 445 CG LEU A 33 0.961 3.997 0.165 1.00 0.00 C ATOM 446 CD1 LEU A 33 -0.050 4.428 -0.886 1.00 0.00 C ATOM 447 CD2 LEU A 33 0.303 3.906 1.535 1.00 0.00 C ATOM 0 H LEU A 33 3.171 0.836 -0.728 1.00 0.00 H new ATOM 0 HA LEU A 33 1.800 2.680 -2.356 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.796 1.925 -0.339 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.210 2.321 0.618 1.00 0.00 H new ATOM 0 HG LEU A 33 1.749 4.749 0.211 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.489 5.383 -0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.449 4.534 -1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.836 3.676 -0.965 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.142 4.868 1.790 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.473 3.141 1.516 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.052 3.644 2.282 1.00 0.00 H new ATOM 459 N LYS A 34 4.367 3.898 -0.665 1.00 0.00 N ATOM 460 CA LYS A 34 5.296 5.020 -0.594 1.00 0.00 C ATOM 461 C LYS A 34 5.782 5.413 -1.985 1.00 0.00 C ATOM 462 O LYS A 34 5.667 6.570 -2.388 1.00 0.00 O ATOM 463 CB LYS A 34 6.490 4.664 0.294 1.00 0.00 C ATOM 464 CG LYS A 34 6.273 4.984 1.763 1.00 0.00 C ATOM 465 CD LYS A 34 5.549 3.856 2.479 1.00 0.00 C ATOM 466 CE LYS A 34 5.808 3.890 3.977 1.00 0.00 C ATOM 467 NZ LYS A 34 7.104 3.248 4.330 1.00 0.00 N ATOM 0 H LYS A 34 4.577 3.136 -0.021 1.00 0.00 H new ATOM 0 HA LYS A 34 4.769 5.869 -0.160 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.705 3.600 0.190 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.369 5.202 -0.060 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.235 5.163 2.243 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.695 5.904 1.854 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.478 3.933 2.292 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.875 2.898 2.074 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.809 4.924 4.322 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.997 3.381 4.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.073 2.924 5.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.271 2.435 3.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.875 3.937 4.216 1.00 0.00 H new ATOM 481 N GLN A 35 6.324 4.442 -2.714 1.00 0.00 N ATOM 482 CA GLN A 35 6.826 4.688 -4.060 1.00 0.00 C ATOM 483 C GLN A 35 5.871 5.583 -4.843 1.00 0.00 C ATOM 484 O GLN A 35 6.280 6.594 -5.414 1.00 0.00 O ATOM 485 CB GLN A 35 7.028 3.366 -4.802 1.00 0.00 C ATOM 486 CG GLN A 35 7.863 3.498 -6.065 1.00 0.00 C ATOM 487 CD GLN A 35 9.301 3.882 -5.777 1.00 0.00 C ATOM 488 OE1 GLN A 35 10.039 3.132 -5.138 1.00 0.00 O ATOM 489 NE2 GLN A 35 9.707 5.055 -6.249 1.00 0.00 N ATOM 0 H GLN A 35 6.426 3.479 -2.395 1.00 0.00 H new ATOM 0 HA GLN A 35 7.785 5.199 -3.974 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.508 2.653 -4.132 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.054 2.953 -5.062 1.00 0.00 H new ATOM 0 HG2 GLN A 35 7.845 2.553 -6.608 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.414 4.248 -6.716 1.00 0.00 H new ATOM 0 HE21 GLN A 35 9.061 5.645 -6.774 1.00 0.00 H new ATOM 0 HE22 GLN A 35 10.665 5.366 -6.087 1.00 0.00 H new ATOM 498 N GLN A 36 4.597 5.205 -4.864 1.00 0.00 N ATOM 499 CA GLN A 36 3.584 5.973 -5.578 1.00 0.00 C ATOM 500 C GLN A 36 3.611 7.437 -5.151 1.00 0.00 C ATOM 501 O GLN A 36 3.364 8.334 -5.959 1.00 0.00 O ATOM 502 CB GLN A 36 2.196 5.382 -5.329 1.00 0.00 C ATOM 503 CG GLN A 36 1.936 4.095 -6.094 1.00 0.00 C ATOM 504 CD GLN A 36 0.467 3.724 -6.131 1.00 0.00 C ATOM 505 OE1 GLN A 36 -0.320 4.331 -6.858 1.00 0.00 O ATOM 506 NE2 GLN A 36 0.089 2.722 -5.346 1.00 0.00 N ATOM 0 H GLN A 36 4.242 4.372 -4.395 1.00 0.00 H new ATOM 0 HA GLN A 36 3.807 5.920 -6.644 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.078 5.191 -4.262 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.442 6.118 -5.606 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.305 4.202 -7.114 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.500 3.283 -5.634 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.775 2.247 -4.760 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.887 2.427 -5.329 1.00 0.00 H new ATOM 515 N ILE A 37 3.911 7.672 -3.879 1.00 0.00 N ATOM 516 CA ILE A 37 3.971 9.028 -3.346 1.00 0.00 C ATOM 517 C ILE A 37 5.269 9.719 -3.745 1.00 0.00 C ATOM 518 O ILE A 37 5.337 10.946 -3.805 1.00 0.00 O ATOM 519 CB ILE A 37 3.850 9.035 -1.810 1.00 0.00 C ATOM 520 CG1 ILE A 37 2.546 8.362 -1.376 1.00 0.00 C ATOM 521 CG2 ILE A 37 3.919 10.459 -1.280 1.00 0.00 C ATOM 522 CD1 ILE A 37 2.576 7.846 0.045 1.00 0.00 C ATOM 0 H ILE A 37 4.116 6.941 -3.198 1.00 0.00 H new ATOM 0 HA ILE A 37 3.128 9.572 -3.772 1.00 0.00 H new ATOM 0 HB ILE A 37 4.684 8.472 -1.392 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.728 9.075 -1.478 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.333 7.533 -2.051 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.832 10.447 -0.194 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.872 10.907 -1.563 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.103 11.045 -1.703 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.619 7.382 0.284 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.373 7.109 0.148 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.758 8.675 0.729 1.00 0.00 H new ATOM 534 N GLU A 38 6.298 8.922 -4.021 1.00 0.00 N ATOM 535 CA GLU A 38 7.594 9.459 -4.416 1.00 0.00 C ATOM 536 C GLU A 38 7.602 9.827 -5.897 1.00 0.00 C ATOM 537 O GLU A 38 8.327 10.728 -6.320 1.00 0.00 O ATOM 538 CB GLU A 38 8.701 8.443 -4.126 1.00 0.00 C ATOM 539 CG GLU A 38 10.069 8.872 -4.631 1.00 0.00 C ATOM 540 CD GLU A 38 11.007 7.700 -4.842 1.00 0.00 C ATOM 541 OE1 GLU A 38 11.715 7.327 -3.884 1.00 0.00 O ATOM 542 OE2 GLU A 38 11.033 7.155 -5.966 1.00 0.00 O ATOM 0 H GLU A 38 6.258 7.904 -3.978 1.00 0.00 H new ATOM 0 HA GLU A 38 7.777 10.362 -3.834 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.756 8.276 -3.050 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.437 7.490 -4.584 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.952 9.413 -5.570 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.515 9.565 -3.917 1.00 0.00 H new ATOM 549 N ASP A 39 6.792 9.123 -6.680 1.00 0.00 N ATOM 550 CA ASP A 39 6.704 9.375 -8.113 1.00 0.00 C ATOM 551 C ASP A 39 5.612 10.395 -8.420 1.00 0.00 C ATOM 552 O ASP A 39 5.631 11.042 -9.466 1.00 0.00 O ATOM 553 CB ASP A 39 6.429 8.072 -8.866 1.00 0.00 C ATOM 554 CG ASP A 39 7.693 7.278 -9.129 1.00 0.00 C ATOM 555 OD1 ASP A 39 8.374 6.905 -8.150 1.00 0.00 O ATOM 556 OD2 ASP A 39 8.001 7.028 -10.313 1.00 0.00 O ATOM 0 H ASP A 39 6.187 8.373 -6.346 1.00 0.00 H new ATOM 0 HA ASP A 39 7.659 9.782 -8.444 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.734 7.462 -8.289 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.942 8.300 -9.814 1.00 0.00 H new ATOM 561 N GLN A 40 4.661 10.530 -7.501 1.00 0.00 N ATOM 562 CA GLN A 40 3.560 11.470 -7.675 1.00 0.00 C ATOM 563 C GLN A 40 3.893 12.821 -7.051 1.00 0.00 C ATOM 564 O GLN A 40 3.689 13.866 -7.668 1.00 0.00 O ATOM 565 CB GLN A 40 2.280 10.909 -7.052 1.00 0.00 C ATOM 566 CG GLN A 40 1.715 9.711 -7.797 1.00 0.00 C ATOM 567 CD GLN A 40 1.018 10.101 -9.086 1.00 0.00 C ATOM 568 OE1 GLN A 40 0.683 11.267 -9.296 1.00 0.00 O ATOM 569 NE2 GLN A 40 0.797 9.125 -9.959 1.00 0.00 N ATOM 0 H GLN A 40 4.631 10.001 -6.629 1.00 0.00 H new ATOM 0 HA GLN A 40 3.404 11.613 -8.744 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.484 10.622 -6.020 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.526 11.696 -7.021 1.00 0.00 H new ATOM 0 HG2 GLN A 40 2.522 9.014 -8.021 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.011 9.186 -7.152 1.00 0.00 H new ATOM 0 HE21 GLN A 40 1.091 8.172 -9.744 1.00 0.00 H new ATOM 0 HE22 GLN A 40 0.333 9.328 -10.844 1.00 0.00 H new ATOM 578 N GLN A 41 4.406 12.791 -5.825 1.00 0.00 N ATOM 579 CA GLN A 41 4.767 14.015 -5.119 1.00 0.00 C ATOM 580 C GLN A 41 6.213 14.404 -5.407 1.00 0.00 C ATOM 581 O GLN A 41 6.571 15.580 -5.356 1.00 0.00 O ATOM 582 CB GLN A 41 4.565 13.837 -3.613 1.00 0.00 C ATOM 583 CG GLN A 41 3.153 13.420 -3.233 1.00 0.00 C ATOM 584 CD GLN A 41 2.831 13.708 -1.780 1.00 0.00 C ATOM 585 OE1 GLN A 41 3.487 14.528 -1.137 1.00 0.00 O ATOM 586 NE2 GLN A 41 1.815 13.034 -1.254 1.00 0.00 N ATOM 0 H GLN A 41 4.581 11.934 -5.301 1.00 0.00 H new ATOM 0 HA GLN A 41 4.118 14.815 -5.475 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.267 13.088 -3.247 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.806 14.773 -3.109 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.440 13.943 -3.870 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.029 12.354 -3.424 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.298 12.364 -1.823 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.551 13.187 -0.281 1.00 0.00 H new ATOM 595 N GLY A 42 7.040 13.408 -5.712 1.00 0.00 N ATOM 596 CA GLY A 42 8.437 13.668 -6.003 1.00 0.00 C ATOM 597 C GLY A 42 9.315 13.568 -4.772 1.00 0.00 C ATOM 598 O GLY A 42 10.542 13.602 -4.870 1.00 0.00 O ATOM 0 H GLY A 42 6.767 12.427 -5.763 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.787 12.959 -6.753 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.535 14.664 -6.436 1.00 0.00 H new ATOM 602 N LEU A 43 8.686 13.446 -3.608 1.00 0.00 N ATOM 603 CA LEU A 43 9.418 13.343 -2.350 1.00 0.00 C ATOM 604 C LEU A 43 10.045 11.961 -2.197 1.00 0.00 C ATOM 605 O LEU A 43 9.441 10.939 -2.522 1.00 0.00 O ATOM 606 CB LEU A 43 8.487 13.627 -1.170 1.00 0.00 C ATOM 607 CG LEU A 43 9.137 14.257 0.062 1.00 0.00 C ATOM 608 CD1 LEU A 43 8.119 15.070 0.846 1.00 0.00 C ATOM 609 CD2 LEU A 43 9.760 13.184 0.944 1.00 0.00 C ATOM 0 H LEU A 43 7.671 13.416 -3.509 1.00 0.00 H new ATOM 0 HA LEU A 43 10.216 14.085 -2.361 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.690 14.287 -1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.018 12.690 -0.869 1.00 0.00 H new ATOM 0 HG LEU A 43 9.928 14.929 -0.272 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.600 15.511 1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.721 15.863 0.213 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.306 14.420 1.169 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.218 13.651 1.816 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.988 12.487 1.269 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.521 12.645 0.379 1.00 0.00 H new ATOM 621 N PRO A 44 11.285 11.927 -1.687 1.00 0.00 N ATOM 622 CA PRO A 44 12.020 10.676 -1.475 1.00 0.00 C ATOM 623 C PRO A 44 11.427 9.839 -0.347 1.00 0.00 C ATOM 624 O PRO A 44 11.036 10.368 0.693 1.00 0.00 O ATOM 625 CB PRO A 44 13.428 11.150 -1.107 1.00 0.00 C ATOM 626 CG PRO A 44 13.233 12.512 -0.537 1.00 0.00 C ATOM 627 CD PRO A 44 12.066 13.106 -1.276 1.00 0.00 C ATOM 0 HA PRO A 44 11.989 10.031 -2.353 1.00 0.00 H new ATOM 0 HB2 PRO A 44 13.894 10.481 -0.383 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.078 11.176 -1.982 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.033 12.462 0.533 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.128 13.121 -0.666 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.484 13.771 -0.639 1.00 0.00 H new ATOM 0 HD3 PRO A 44 12.391 13.692 -2.136 1.00 0.00 H new ATOM 635 N LYS A 45 11.364 8.529 -0.559 1.00 0.00 N ATOM 636 CA LYS A 45 10.821 7.617 0.440 1.00 0.00 C ATOM 637 C LYS A 45 11.540 7.782 1.776 1.00 0.00 C ATOM 638 O LYS A 45 10.909 8.009 2.808 1.00 0.00 O ATOM 639 CB LYS A 45 10.942 6.169 -0.040 1.00 0.00 C ATOM 640 CG LYS A 45 10.140 5.876 -1.297 1.00 0.00 C ATOM 641 CD LYS A 45 10.674 4.655 -2.027 1.00 0.00 C ATOM 642 CE LYS A 45 10.693 3.430 -1.125 1.00 0.00 C ATOM 643 NZ LYS A 45 11.916 3.384 -0.278 1.00 0.00 N ATOM 0 H LYS A 45 11.683 8.075 -1.415 1.00 0.00 H new ATOM 0 HA LYS A 45 9.768 7.859 0.581 1.00 0.00 H new ATOM 0 HB2 LYS A 45 11.992 5.944 -0.228 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.611 5.502 0.756 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.095 5.715 -1.033 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.172 6.741 -1.960 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.056 4.454 -2.902 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.682 4.858 -2.388 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.809 3.435 -0.487 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.640 2.529 -1.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.301 2.418 -0.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.627 4.040 -0.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.675 3.662 0.695 1.00 0.00 H new ATOM 657 N LYS A 46 12.863 7.669 1.748 1.00 0.00 N ATOM 658 CA LYS A 46 13.669 7.808 2.955 1.00 0.00 C ATOM 659 C LYS A 46 13.153 8.950 3.825 1.00 0.00 C ATOM 660 O LYS A 46 13.259 8.905 5.050 1.00 0.00 O ATOM 661 CB LYS A 46 15.134 8.054 2.589 1.00 0.00 C ATOM 662 CG LYS A 46 15.409 9.462 2.090 1.00 0.00 C ATOM 663 CD LYS A 46 16.670 9.517 1.244 1.00 0.00 C ATOM 664 CE LYS A 46 16.484 8.796 -0.082 1.00 0.00 C ATOM 665 NZ LYS A 46 17.515 9.195 -1.080 1.00 0.00 N ATOM 0 H LYS A 46 13.401 7.481 0.902 1.00 0.00 H new ATOM 0 HA LYS A 46 13.593 6.880 3.521 1.00 0.00 H new ATOM 0 HB2 LYS A 46 15.756 7.860 3.463 1.00 0.00 H new ATOM 0 HB3 LYS A 46 15.432 7.341 1.821 1.00 0.00 H new ATOM 0 HG2 LYS A 46 14.560 9.813 1.503 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.510 10.137 2.940 1.00 0.00 H new ATOM 0 HD2 LYS A 46 16.940 10.557 1.059 1.00 0.00 H new ATOM 0 HD3 LYS A 46 17.497 9.065 1.792 1.00 0.00 H new ATOM 0 HE2 LYS A 46 16.533 7.719 0.080 1.00 0.00 H new ATOM 0 HE3 LYS A 46 15.492 9.014 -0.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 17.354 8.682 -1.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 17.452 10.218 -1.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 18.461 8.964 -0.714 1.00 0.00 H new ATOM 679 N GLN A 47 12.594 9.971 3.183 1.00 0.00 N ATOM 680 CA GLN A 47 12.061 11.124 3.899 1.00 0.00 C ATOM 681 C GLN A 47 10.618 10.878 4.330 1.00 0.00 C ATOM 682 O GLN A 47 10.304 10.902 5.519 1.00 0.00 O ATOM 683 CB GLN A 47 12.138 12.375 3.023 1.00 0.00 C ATOM 684 CG GLN A 47 13.548 12.921 2.865 1.00 0.00 C ATOM 685 CD GLN A 47 14.175 13.311 4.189 1.00 0.00 C ATOM 686 OE1 GLN A 47 13.907 14.387 4.723 1.00 0.00 O ATOM 687 NE2 GLN A 47 15.016 12.435 4.726 1.00 0.00 N ATOM 0 H GLN A 47 12.499 10.023 2.169 1.00 0.00 H new ATOM 0 HA GLN A 47 12.667 11.277 4.792 1.00 0.00 H new ATOM 0 HB2 GLN A 47 11.734 12.144 2.037 1.00 0.00 H new ATOM 0 HB3 GLN A 47 11.503 13.150 3.454 1.00 0.00 H new ATOM 0 HG2 GLN A 47 14.172 12.171 2.379 1.00 0.00 H new ATOM 0 HG3 GLN A 47 13.525 13.790 2.208 1.00 0.00 H new ATOM 0 HE21 GLN A 47 15.209 11.555 4.248 1.00 0.00 H new ATOM 0 HE22 GLN A 47 15.469 12.642 5.616 1.00 0.00 H new ATOM 696 N GLN A 48 9.747 10.642 3.354 1.00 0.00 N ATOM 697 CA GLN A 48 8.338 10.393 3.633 1.00 0.00 C ATOM 698 C GLN A 48 8.174 9.262 4.643 1.00 0.00 C ATOM 699 O GLN A 48 8.601 8.134 4.398 1.00 0.00 O ATOM 700 CB GLN A 48 7.593 10.052 2.342 1.00 0.00 C ATOM 701 CG GLN A 48 7.579 8.566 2.022 1.00 0.00 C ATOM 702 CD GLN A 48 7.128 8.278 0.604 1.00 0.00 C ATOM 703 OE1 GLN A 48 6.208 7.490 0.380 1.00 0.00 O ATOM 704 NE2 GLN A 48 7.774 8.918 -0.364 1.00 0.00 N ATOM 0 H GLN A 48 9.992 10.618 2.364 1.00 0.00 H new ATOM 0 HA GLN A 48 7.913 11.301 4.060 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.566 10.408 2.420 1.00 0.00 H new ATOM 0 HB3 GLN A 48 8.054 10.589 1.513 1.00 0.00 H new ATOM 0 HG2 GLN A 48 8.578 8.157 2.171 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.917 8.054 2.721 1.00 0.00 H new ATOM 0 HE21 GLN A 48 8.530 9.562 -0.133 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.514 8.765 -1.338 1.00 0.00 H new ATOM 713 N GLN A 49 7.554 9.572 5.777 1.00 0.00 N ATOM 714 CA GLN A 49 7.336 8.581 6.824 1.00 0.00 C ATOM 715 C GLN A 49 5.880 8.580 7.278 1.00 0.00 C ATOM 716 O GLN A 49 5.415 9.531 7.908 1.00 0.00 O ATOM 717 CB GLN A 49 8.255 8.855 8.015 1.00 0.00 C ATOM 718 CG GLN A 49 7.946 7.998 9.232 1.00 0.00 C ATOM 719 CD GLN A 49 8.544 8.558 10.507 1.00 0.00 C ATOM 720 OE1 GLN A 49 8.015 9.504 11.092 1.00 0.00 O ATOM 721 NE2 GLN A 49 9.653 7.975 10.947 1.00 0.00 N ATOM 0 H GLN A 49 7.194 10.501 5.994 1.00 0.00 H new ATOM 0 HA GLN A 49 7.570 7.599 6.414 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.288 8.683 7.713 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.174 9.906 8.291 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.865 7.915 9.348 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.328 6.990 9.068 1.00 0.00 H new ATOM 0 HE21 GLN A 49 10.058 7.194 10.431 1.00 0.00 H new ATOM 0 HE22 GLN A 49 10.100 8.308 11.801 1.00 0.00 H new ATOM 730 N LEU A 50 5.165 7.509 6.955 1.00 0.00 N ATOM 731 CA LEU A 50 3.761 7.384 7.330 1.00 0.00 C ATOM 732 C LEU A 50 3.616 6.670 8.670 1.00 0.00 C ATOM 733 O LEU A 50 4.174 5.592 8.872 1.00 0.00 O ATOM 734 CB LEU A 50 2.989 6.626 6.249 1.00 0.00 C ATOM 735 CG LEU A 50 3.145 7.149 4.821 1.00 0.00 C ATOM 736 CD1 LEU A 50 2.733 6.086 3.814 1.00 0.00 C ATOM 737 CD2 LEU A 50 2.327 8.417 4.625 1.00 0.00 C ATOM 0 H LEU A 50 5.534 6.714 6.434 1.00 0.00 H new ATOM 0 HA LEU A 50 3.346 8.387 7.428 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.305 5.583 6.269 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.930 6.643 6.507 1.00 0.00 H new ATOM 0 HG LEU A 50 4.195 7.389 4.656 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.851 6.477 2.803 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.362 5.204 3.938 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.690 5.814 3.978 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.450 8.775 3.603 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.274 8.203 4.810 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.670 9.182 5.321 1.00 0.00 H new ATOM 749 N GLU A 51 2.862 7.278 9.581 1.00 0.00 N ATOM 750 CA GLU A 51 2.643 6.698 10.901 1.00 0.00 C ATOM 751 C GLU A 51 1.160 6.434 11.140 1.00 0.00 C ATOM 752 O GLU A 51 0.307 7.242 10.771 1.00 0.00 O ATOM 753 CB GLU A 51 3.189 7.628 11.987 1.00 0.00 C ATOM 754 CG GLU A 51 3.673 6.896 13.227 1.00 0.00 C ATOM 755 CD GLU A 51 3.530 7.727 14.488 1.00 0.00 C ATOM 756 OE1 GLU A 51 2.536 8.476 14.594 1.00 0.00 O ATOM 757 OE2 GLU A 51 4.411 7.629 15.367 1.00 0.00 O ATOM 0 H GLU A 51 2.393 8.171 9.429 1.00 0.00 H new ATOM 0 HA GLU A 51 3.175 5.747 10.945 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.013 8.211 11.574 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.410 8.335 12.273 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.110 5.970 13.341 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.719 6.619 13.096 1.00 0.00 H new ATOM 764 N PHE A 52 0.859 5.297 11.759 1.00 0.00 N ATOM 765 CA PHE A 52 -0.521 4.925 12.047 1.00 0.00 C ATOM 766 C PHE A 52 -0.704 4.621 13.531 1.00 0.00 C ATOM 767 O PHE A 52 0.116 3.936 14.140 1.00 0.00 O ATOM 768 CB PHE A 52 -0.928 3.709 11.211 1.00 0.00 C ATOM 769 CG PHE A 52 -2.415 3.531 11.098 1.00 0.00 C ATOM 770 CD1 PHE A 52 -3.222 4.578 10.685 1.00 0.00 C ATOM 771 CD2 PHE A 52 -3.005 2.315 11.404 1.00 0.00 C ATOM 772 CE1 PHE A 52 -4.591 4.416 10.580 1.00 0.00 C ATOM 773 CE2 PHE A 52 -4.373 2.147 11.301 1.00 0.00 C ATOM 774 CZ PHE A 52 -5.167 3.199 10.887 1.00 0.00 C ATOM 0 H PHE A 52 1.553 4.617 12.071 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.161 5.768 11.786 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.505 3.807 10.211 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.495 2.812 11.654 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.777 5.532 10.442 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.389 1.489 11.727 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.210 5.241 10.258 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.821 1.195 11.544 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.236 3.070 10.804 1.00 0.00 H new ATOM 784 N GLN A 53 -1.786 5.137 14.105 1.00 0.00 N ATOM 785 CA GLN A 53 -2.077 4.922 15.517 1.00 0.00 C ATOM 786 C GLN A 53 -0.807 5.019 16.355 1.00 0.00 C ATOM 787 O GLN A 53 -0.719 4.440 17.437 1.00 0.00 O ATOM 788 CB GLN A 53 -2.735 3.556 15.722 1.00 0.00 C ATOM 789 CG GLN A 53 -4.060 3.403 14.993 1.00 0.00 C ATOM 790 CD GLN A 53 -4.730 2.072 15.273 1.00 0.00 C ATOM 791 OE1 GLN A 53 -5.557 1.959 16.178 1.00 0.00 O ATOM 792 NE2 GLN A 53 -4.375 1.056 14.497 1.00 0.00 N ATOM 0 H GLN A 53 -2.475 5.707 13.614 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.766 5.701 15.843 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.051 2.778 15.382 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.896 3.396 16.788 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.729 4.211 15.289 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.894 3.503 13.920 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.685 1.195 13.759 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.792 0.136 14.639 1.00 0.00 H new ATOM 801 N GLY A 54 0.177 5.756 15.848 1.00 0.00 N ATOM 802 CA GLY A 54 1.430 5.915 16.562 1.00 0.00 C ATOM 803 C GLY A 54 2.369 4.744 16.354 1.00 0.00 C ATOM 804 O GLY A 54 3.016 4.285 17.295 1.00 0.00 O ATOM 0 H GLY A 54 0.128 6.246 14.955 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.919 6.832 16.232 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.226 6.028 17.627 1.00 0.00 H new ATOM 808 N GLN A 55 2.441 4.258 15.119 1.00 0.00 N ATOM 809 CA GLN A 55 3.307 3.131 14.792 1.00 0.00 C ATOM 810 C GLN A 55 3.970 3.331 13.433 1.00 0.00 C ATOM 811 O GLN A 55 3.327 3.756 12.473 1.00 0.00 O ATOM 812 CB GLN A 55 2.505 1.828 14.795 1.00 0.00 C ATOM 813 CG GLN A 55 1.900 1.483 13.444 1.00 0.00 C ATOM 814 CD GLN A 55 0.893 0.353 13.527 1.00 0.00 C ATOM 815 OE1 GLN A 55 0.943 -0.473 14.439 1.00 0.00 O ATOM 816 NE2 GLN A 55 -0.030 0.310 12.573 1.00 0.00 N ATOM 0 H GLN A 55 1.911 4.626 14.329 1.00 0.00 H new ATOM 0 HA GLN A 55 4.087 3.071 15.551 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.155 1.012 15.112 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.706 1.904 15.533 1.00 0.00 H new ATOM 0 HG2 GLN A 55 1.415 2.367 13.031 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.696 1.205 12.754 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.035 1.015 11.836 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.734 -0.428 12.578 1.00 0.00 H new ATOM 825 N VAL A 56 5.260 3.021 13.358 1.00 0.00 N ATOM 826 CA VAL A 56 6.011 3.165 12.117 1.00 0.00 C ATOM 827 C VAL A 56 5.832 1.945 11.221 1.00 0.00 C ATOM 828 O VAL A 56 6.273 0.845 11.556 1.00 0.00 O ATOM 829 CB VAL A 56 7.513 3.372 12.390 1.00 0.00 C ATOM 830 CG1 VAL A 56 8.262 3.625 11.091 1.00 0.00 C ATOM 831 CG2 VAL A 56 7.723 4.517 13.368 1.00 0.00 C ATOM 0 H VAL A 56 5.807 2.668 14.143 1.00 0.00 H new ATOM 0 HA VAL A 56 5.617 4.046 11.610 1.00 0.00 H new ATOM 0 HB VAL A 56 7.912 2.463 12.840 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.321 3.769 11.304 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.138 2.769 10.427 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.864 4.518 10.610 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.790 4.649 13.550 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.310 5.434 12.949 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.220 4.289 14.308 1.00 0.00 H new ATOM 841 N LEU A 57 5.182 2.146 10.080 1.00 0.00 N ATOM 842 CA LEU A 57 4.944 1.062 9.134 1.00 0.00 C ATOM 843 C LEU A 57 6.231 0.679 8.409 1.00 0.00 C ATOM 844 O LEU A 57 6.824 1.496 7.705 1.00 0.00 O ATOM 845 CB LEU A 57 3.875 1.470 8.118 1.00 0.00 C ATOM 846 CG LEU A 57 2.625 2.138 8.691 1.00 0.00 C ATOM 847 CD1 LEU A 57 1.709 2.605 7.571 1.00 0.00 C ATOM 848 CD2 LEU A 57 1.890 1.184 9.622 1.00 0.00 C ATOM 0 H LEU A 57 4.810 3.050 9.788 1.00 0.00 H new ATOM 0 HA LEU A 57 4.592 0.195 9.694 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.328 2.151 7.397 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.567 0.581 7.567 1.00 0.00 H new ATOM 0 HG LEU A 57 2.934 3.010 9.267 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.824 3.078 7.998 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.238 3.323 6.944 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.407 1.749 6.967 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.003 1.676 10.021 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.593 0.293 9.069 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.547 0.899 10.444 1.00 0.00 H new ATOM 860 N GLN A 58 6.655 -0.568 8.585 1.00 0.00 N ATOM 861 CA GLN A 58 7.870 -1.059 7.946 1.00 0.00 C ATOM 862 C GLN A 58 7.667 -1.224 6.444 1.00 0.00 C ATOM 863 O GLN A 58 6.618 -0.869 5.907 1.00 0.00 O ATOM 864 CB GLN A 58 8.295 -2.391 8.565 1.00 0.00 C ATOM 865 CG GLN A 58 8.572 -2.308 10.058 1.00 0.00 C ATOM 866 CD GLN A 58 9.378 -1.080 10.434 1.00 0.00 C ATOM 867 OE1 GLN A 58 8.945 -0.266 11.250 1.00 0.00 O ATOM 868 NE2 GLN A 58 10.557 -0.940 9.839 1.00 0.00 N ATOM 0 H GLN A 58 6.175 -1.257 9.165 1.00 0.00 H new ATOM 0 HA GLN A 58 8.658 -0.324 8.109 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.513 -3.130 8.390 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.191 -2.749 8.057 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.626 -2.297 10.599 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.110 -3.202 10.374 1.00 0.00 H new ATOM 0 HE21 GLN A 58 10.876 -1.639 9.169 1.00 0.00 H new ATOM 0 HE22 GLN A 58 11.143 -0.133 10.052 1.00 0.00 H new ATOM 877 N ASP A 59 8.677 -1.764 5.771 1.00 0.00 N ATOM 878 CA ASP A 59 8.609 -1.977 4.330 1.00 0.00 C ATOM 879 C ASP A 59 8.263 -3.428 4.011 1.00 0.00 C ATOM 880 O ASP A 59 7.580 -3.711 3.027 1.00 0.00 O ATOM 881 CB ASP A 59 9.939 -1.601 3.674 1.00 0.00 C ATOM 882 CG ASP A 59 10.595 -0.407 4.339 1.00 0.00 C ATOM 883 OD1 ASP A 59 9.894 0.598 4.581 1.00 0.00 O ATOM 884 OD2 ASP A 59 11.810 -0.478 4.618 1.00 0.00 O ATOM 0 H ASP A 59 9.553 -2.062 6.200 1.00 0.00 H new ATOM 0 HA ASP A 59 7.822 -1.338 3.930 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.616 -2.454 3.717 1.00 0.00 H new ATOM 0 HB3 ASP A 59 9.771 -1.380 2.620 1.00 0.00 H new ATOM 889 N TRP A 60 8.739 -4.342 4.849 1.00 0.00 N ATOM 890 CA TRP A 60 8.480 -5.765 4.655 1.00 0.00 C ATOM 891 C TRP A 60 7.191 -6.183 5.353 1.00 0.00 C ATOM 892 O TRP A 60 6.850 -7.367 5.391 1.00 0.00 O ATOM 893 CB TRP A 60 9.653 -6.594 5.182 1.00 0.00 C ATOM 894 CG TRP A 60 9.601 -6.822 6.663 1.00 0.00 C ATOM 895 CD1 TRP A 60 8.984 -7.853 7.312 1.00 0.00 C ATOM 896 CD2 TRP A 60 10.187 -5.999 7.677 1.00 0.00 C ATOM 897 NE1 TRP A 60 9.152 -7.721 8.669 1.00 0.00 N ATOM 898 CE2 TRP A 60 9.887 -6.592 8.919 1.00 0.00 C ATOM 899 CE3 TRP A 60 10.937 -4.820 7.658 1.00 0.00 C ATOM 900 CZ2 TRP A 60 10.311 -6.045 10.127 1.00 0.00 C ATOM 901 CZ3 TRP A 60 11.357 -4.278 8.857 1.00 0.00 C ATOM 902 CH2 TRP A 60 11.044 -4.890 10.078 1.00 0.00 C ATOM 0 H TRP A 60 9.306 -4.124 5.669 1.00 0.00 H new ATOM 0 HA TRP A 60 8.367 -5.947 3.586 1.00 0.00 H new ATOM 0 HB2 TRP A 60 9.665 -7.558 4.673 1.00 0.00 H new ATOM 0 HB3 TRP A 60 10.586 -6.090 4.932 1.00 0.00 H new ATOM 0 HD1 TRP A 60 8.444 -8.654 6.830 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.788 -8.360 9.376 1.00 0.00 H new ATOM 0 HE3 TRP A 60 11.184 -4.341 6.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 10.070 -6.515 11.069 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 11.937 -3.367 8.853 1.00 0.00 H new ATOM 0 HH2 TRP A 60 11.388 -4.442 10.998 1.00 0.00 H new ATOM 913 N LEU A 61 6.477 -5.207 5.903 1.00 0.00 N ATOM 914 CA LEU A 61 5.224 -5.475 6.600 1.00 0.00 C ATOM 915 C LEU A 61 4.028 -5.091 5.735 1.00 0.00 C ATOM 916 O LEU A 61 3.731 -3.911 5.557 1.00 0.00 O ATOM 917 CB LEU A 61 5.179 -4.708 7.922 1.00 0.00 C ATOM 918 CG LEU A 61 5.758 -5.433 9.138 1.00 0.00 C ATOM 919 CD1 LEU A 61 7.172 -5.913 8.850 1.00 0.00 C ATOM 920 CD2 LEU A 61 5.739 -4.524 10.359 1.00 0.00 C ATOM 0 H LEU A 61 6.744 -4.223 5.880 1.00 0.00 H new ATOM 0 HA LEU A 61 5.172 -6.544 6.806 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.718 -3.769 7.793 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.141 -4.453 8.136 1.00 0.00 H new ATOM 0 HG LEU A 61 5.137 -6.304 9.348 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.568 -6.426 9.726 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.158 -6.599 8.003 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.805 -5.058 8.614 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.154 -5.056 11.215 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.336 -3.634 10.160 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.712 -4.230 10.578 1.00 0.00 H new ATOM 932 N GLY A 62 3.342 -6.098 5.201 1.00 0.00 N ATOM 933 CA GLY A 62 2.184 -5.845 4.364 1.00 0.00 C ATOM 934 C GLY A 62 1.162 -4.954 5.041 1.00 0.00 C ATOM 935 O GLY A 62 1.170 -4.805 6.264 1.00 0.00 O ATOM 0 H GLY A 62 3.568 -7.084 5.333 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.507 -5.379 3.433 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.716 -6.794 4.100 1.00 0.00 H new ATOM 939 N LEU A 63 0.280 -4.359 4.246 1.00 0.00 N ATOM 940 CA LEU A 63 -0.753 -3.475 4.776 1.00 0.00 C ATOM 941 C LEU A 63 -1.667 -4.224 5.742 1.00 0.00 C ATOM 942 O LEU A 63 -2.333 -3.616 6.579 1.00 0.00 O ATOM 943 CB LEU A 63 -1.578 -2.880 3.634 1.00 0.00 C ATOM 944 CG LEU A 63 -1.004 -1.626 2.974 1.00 0.00 C ATOM 945 CD1 LEU A 63 0.031 -2.001 1.925 1.00 0.00 C ATOM 946 CD2 LEU A 63 -2.116 -0.792 2.354 1.00 0.00 C ATOM 0 H LEU A 63 0.259 -4.472 3.233 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.262 -2.668 5.320 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.704 -3.644 2.867 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.571 -2.643 4.015 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.513 -1.028 3.742 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.428 -1.096 1.466 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.843 -2.555 2.396 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.435 -2.621 1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.688 0.096 1.889 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.636 -1.382 1.599 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.821 -0.492 3.129 1.00 0.00 H new ATOM 958 N GLY A 64 -1.691 -5.548 5.620 1.00 0.00 N ATOM 959 CA GLY A 64 -2.524 -6.357 6.490 1.00 0.00 C ATOM 960 C GLY A 64 -1.839 -6.696 7.798 1.00 0.00 C ATOM 961 O GLY A 64 -2.455 -6.638 8.863 1.00 0.00 O ATOM 0 H GLY A 64 -1.149 -6.074 4.935 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.452 -5.824 6.697 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.794 -7.279 5.975 1.00 0.00 H new ATOM 965 N ILE A 65 -0.561 -7.053 7.720 1.00 0.00 N ATOM 966 CA ILE A 65 0.208 -7.403 8.908 1.00 0.00 C ATOM 967 C ILE A 65 -0.166 -6.511 10.087 1.00 0.00 C ATOM 968 O ILE A 65 -0.265 -6.976 11.223 1.00 0.00 O ATOM 969 CB ILE A 65 1.722 -7.289 8.652 1.00 0.00 C ATOM 970 CG1 ILE A 65 2.137 -8.202 7.497 1.00 0.00 C ATOM 971 CG2 ILE A 65 2.500 -7.634 9.913 1.00 0.00 C ATOM 972 CD1 ILE A 65 1.902 -9.671 7.773 1.00 0.00 C ATOM 0 H ILE A 65 -0.037 -7.107 6.847 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.034 -8.438 9.148 1.00 0.00 H new ATOM 0 HB ILE A 65 1.952 -6.260 8.377 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.585 -7.916 6.602 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.194 -8.046 7.283 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.569 -7.549 9.716 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.222 -6.946 10.712 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.267 -8.655 10.216 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.219 -10.258 6.911 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.476 -9.973 8.649 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.841 -9.841 7.958 1.00 0.00 H new ATOM 984 N TYR A 66 -0.373 -5.229 9.810 1.00 0.00 N ATOM 985 CA TYR A 66 -0.735 -4.271 10.848 1.00 0.00 C ATOM 986 C TYR A 66 -2.239 -4.288 11.104 1.00 0.00 C ATOM 987 O TYR A 66 -2.685 -4.295 12.250 1.00 0.00 O ATOM 988 CB TYR A 66 -0.290 -2.863 10.449 1.00 0.00 C ATOM 989 CG TYR A 66 1.173 -2.592 10.717 1.00 0.00 C ATOM 990 CD1 TYR A 66 1.665 -2.547 12.016 1.00 0.00 C ATOM 991 CD2 TYR A 66 2.063 -2.381 9.671 1.00 0.00 C ATOM 992 CE1 TYR A 66 3.001 -2.299 12.265 1.00 0.00 C ATOM 993 CE2 TYR A 66 3.401 -2.133 9.911 1.00 0.00 C ATOM 994 CZ TYR A 66 3.865 -2.093 11.209 1.00 0.00 C ATOM 995 OH TYR A 66 5.197 -1.847 11.453 1.00 0.00 O ATOM 0 H TYR A 66 -0.296 -4.829 8.875 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.225 -4.559 11.767 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.490 -2.715 9.388 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.891 -2.134 10.991 1.00 0.00 H new ATOM 0 HD1 TYR A 66 0.992 -2.709 12.845 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.703 -2.411 8.653 1.00 0.00 H new ATOM 0 HE1 TYR A 66 3.367 -2.267 13.281 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.080 -1.971 9.087 1.00 0.00 H new ATOM 0 HH TYR A 66 5.355 -0.880 11.462 1.00 0.00 H new ATOM 1005 N GLY A 67 -3.016 -4.296 10.025 1.00 0.00 N ATOM 1006 CA GLY A 67 -4.462 -4.313 10.152 1.00 0.00 C ATOM 1007 C GLY A 67 -5.110 -3.076 9.564 1.00 0.00 C ATOM 1008 O GLY A 67 -6.142 -2.615 10.054 1.00 0.00 O ATOM 0 H GLY A 67 -2.670 -4.291 9.065 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.857 -5.198 9.653 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.730 -4.394 11.205 1.00 0.00 H new ATOM 1012 N ILE A 68 -4.504 -2.535 8.513 1.00 0.00 N ATOM 1013 CA ILE A 68 -5.029 -1.343 7.858 1.00 0.00 C ATOM 1014 C ILE A 68 -6.245 -1.677 7.001 1.00 0.00 C ATOM 1015 O ILE A 68 -6.263 -2.688 6.300 1.00 0.00 O ATOM 1016 CB ILE A 68 -3.962 -0.669 6.975 1.00 0.00 C ATOM 1017 CG1 ILE A 68 -2.764 -0.239 7.824 1.00 0.00 C ATOM 1018 CG2 ILE A 68 -4.557 0.525 6.244 1.00 0.00 C ATOM 1019 CD1 ILE A 68 -1.516 0.033 7.013 1.00 0.00 C ATOM 0 H ILE A 68 -3.649 -2.903 8.096 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.323 -0.653 8.649 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.617 -1.389 6.233 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.028 0.659 8.382 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.549 -1.018 8.556 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.791 0.991 5.624 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.381 0.192 5.613 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.926 1.249 6.970 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.707 0.333 7.679 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.227 -0.870 6.476 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.713 0.833 6.299 1.00 0.00 H new ATOM 1031 N GLN A 69 -7.259 -0.819 7.063 1.00 0.00 N ATOM 1032 CA GLN A 69 -8.479 -1.023 6.291 1.00 0.00 C ATOM 1033 C GLN A 69 -8.720 0.142 5.336 1.00 0.00 C ATOM 1034 O GLN A 69 -7.959 1.110 5.317 1.00 0.00 O ATOM 1035 CB GLN A 69 -9.678 -1.187 7.226 1.00 0.00 C ATOM 1036 CG GLN A 69 -9.899 0.003 8.146 1.00 0.00 C ATOM 1037 CD GLN A 69 -11.266 -0.012 8.802 1.00 0.00 C ATOM 1038 OE1 GLN A 69 -11.467 -0.662 9.828 1.00 0.00 O ATOM 1039 NE2 GLN A 69 -12.215 0.705 8.212 1.00 0.00 N ATOM 0 H GLN A 69 -7.260 0.023 7.639 1.00 0.00 H new ATOM 0 HA GLN A 69 -8.359 -1.933 5.703 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -10.576 -1.345 6.628 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -9.536 -2.082 7.831 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -9.130 0.008 8.918 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -9.784 0.925 7.576 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -12.005 1.229 7.363 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -13.155 0.732 8.608 1.00 0.00 H new ATOM 1048 N ASP A 70 -9.782 0.041 4.544 1.00 0.00 N ATOM 1049 CA ASP A 70 -10.123 1.086 3.586 1.00 0.00 C ATOM 1050 C ASP A 70 -10.723 2.297 4.294 1.00 0.00 C ATOM 1051 O ASP A 70 -11.178 2.200 5.434 1.00 0.00 O ATOM 1052 CB ASP A 70 -11.106 0.551 2.543 1.00 0.00 C ATOM 1053 CG ASP A 70 -12.543 0.597 3.025 1.00 0.00 C ATOM 1054 OD1 ASP A 70 -13.116 1.705 3.079 1.00 0.00 O ATOM 1055 OD2 ASP A 70 -13.095 -0.476 3.347 1.00 0.00 O ATOM 0 H ASP A 70 -10.421 -0.754 4.547 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.207 1.397 3.084 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.014 1.136 1.628 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.842 -0.477 2.293 1.00 0.00 H new ATOM 1060 N SER A 71 -10.719 3.437 3.611 1.00 0.00 N ATOM 1061 CA SER A 71 -11.258 4.668 4.176 1.00 0.00 C ATOM 1062 C SER A 71 -10.458 5.100 5.401 1.00 0.00 C ATOM 1063 O SER A 71 -10.977 5.777 6.289 1.00 0.00 O ATOM 1064 CB SER A 71 -12.729 4.480 4.554 1.00 0.00 C ATOM 1065 OG SER A 71 -13.580 4.812 3.471 1.00 0.00 O ATOM 0 H SER A 71 -10.348 3.534 2.666 1.00 0.00 H new ATOM 0 HA SER A 71 -11.181 5.449 3.420 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.902 3.446 4.853 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.969 5.105 5.414 1.00 0.00 H new ATOM 0 HG SER A 71 -14.514 4.682 3.737 1.00 0.00 H new ATOM 1071 N ASP A 72 -9.191 4.703 5.442 1.00 0.00 N ATOM 1072 CA ASP A 72 -8.317 5.048 6.557 1.00 0.00 C ATOM 1073 C ASP A 72 -7.474 6.276 6.227 1.00 0.00 C ATOM 1074 O ASP A 72 -7.281 6.614 5.059 1.00 0.00 O ATOM 1075 CB ASP A 72 -7.408 3.868 6.905 1.00 0.00 C ATOM 1076 CG ASP A 72 -8.041 2.926 7.910 1.00 0.00 C ATOM 1077 OD1 ASP A 72 -8.928 3.374 8.666 1.00 0.00 O ATOM 1078 OD2 ASP A 72 -7.649 1.740 7.940 1.00 0.00 O ATOM 0 H ASP A 72 -8.746 4.142 4.716 1.00 0.00 H new ATOM 0 HA ASP A 72 -8.943 5.280 7.419 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -7.169 3.317 5.996 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.467 4.244 7.307 1.00 0.00 H new ATOM 1083 N THR A 73 -6.974 6.941 7.264 1.00 0.00 N ATOM 1084 CA THR A 73 -6.154 8.132 7.084 1.00 0.00 C ATOM 1085 C THR A 73 -4.700 7.860 7.455 1.00 0.00 C ATOM 1086 O THR A 73 -4.418 7.145 8.417 1.00 0.00 O ATOM 1087 CB THR A 73 -6.677 9.307 7.933 1.00 0.00 C ATOM 1088 OG1 THR A 73 -8.006 9.651 7.527 1.00 0.00 O ATOM 1089 CG2 THR A 73 -5.769 10.520 7.794 1.00 0.00 C ATOM 0 H THR A 73 -7.123 6.675 8.237 1.00 0.00 H new ATOM 0 HA THR A 73 -6.213 8.400 6.029 1.00 0.00 H new ATOM 0 HB THR A 73 -6.686 8.997 8.978 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.332 10.397 8.072 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.158 11.337 8.402 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.765 10.263 8.131 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.733 10.830 6.750 1.00 0.00 H new ATOM 1097 N LEU A 74 -3.782 8.434 6.686 1.00 0.00 N ATOM 1098 CA LEU A 74 -2.355 8.254 6.934 1.00 0.00 C ATOM 1099 C LEU A 74 -1.648 9.600 7.050 1.00 0.00 C ATOM 1100 O LEU A 74 -1.765 10.451 6.168 1.00 0.00 O ATOM 1101 CB LEU A 74 -1.723 7.428 5.812 1.00 0.00 C ATOM 1102 CG LEU A 74 -2.248 6.001 5.652 1.00 0.00 C ATOM 1103 CD1 LEU A 74 -1.653 5.349 4.413 1.00 0.00 C ATOM 1104 CD2 LEU A 74 -1.937 5.175 6.892 1.00 0.00 C ATOM 0 H LEU A 74 -3.999 9.028 5.886 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.240 7.722 7.878 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.872 7.956 4.870 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.648 7.381 5.984 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.330 6.045 5.531 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.038 4.334 4.315 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.927 5.927 3.531 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.567 5.318 4.504 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.318 4.162 6.760 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.858 5.140 7.044 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.411 5.631 7.761 1.00 0.00 H new ATOM 1116 N ILE A 75 -0.915 9.785 8.142 1.00 0.00 N ATOM 1117 CA ILE A 75 -0.187 11.027 8.372 1.00 0.00 C ATOM 1118 C ILE A 75 1.195 10.981 7.727 1.00 0.00 C ATOM 1119 O ILE A 75 1.920 9.995 7.858 1.00 0.00 O ATOM 1120 CB ILE A 75 -0.030 11.318 9.876 1.00 0.00 C ATOM 1121 CG1 ILE A 75 -1.399 11.348 10.557 1.00 0.00 C ATOM 1122 CG2 ILE A 75 0.703 12.635 10.087 1.00 0.00 C ATOM 1123 CD1 ILE A 75 -2.351 12.359 9.957 1.00 0.00 C ATOM 0 H ILE A 75 -0.809 9.091 8.882 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.772 11.825 7.916 1.00 0.00 H new ATOM 0 HB ILE A 75 0.561 10.520 10.326 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.848 10.357 10.495 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.264 11.571 11.615 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.806 12.827 11.155 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.692 12.578 9.631 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.137 13.444 9.626 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.301 12.325 10.490 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.923 13.358 10.043 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.516 12.124 8.905 1.00 0.00 H new ATOM 1135 N LEU A 76 1.553 12.055 7.032 1.00 0.00 N ATOM 1136 CA LEU A 76 2.849 12.139 6.368 1.00 0.00 C ATOM 1137 C LEU A 76 3.742 13.173 7.046 1.00 0.00 C ATOM 1138 O LEU A 76 3.336 14.316 7.257 1.00 0.00 O ATOM 1139 CB LEU A 76 2.666 12.496 4.892 1.00 0.00 C ATOM 1140 CG LEU A 76 3.937 12.868 4.128 1.00 0.00 C ATOM 1141 CD1 LEU A 76 4.868 11.670 4.025 1.00 0.00 C ATOM 1142 CD2 LEU A 76 3.592 13.399 2.744 1.00 0.00 C ATOM 0 H LEU A 76 0.964 12.879 6.914 1.00 0.00 H new ATOM 0 HA LEU A 76 3.331 11.164 6.442 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.199 11.649 4.389 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.968 13.331 4.825 1.00 0.00 H new ATOM 0 HG LEU A 76 4.451 13.655 4.679 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.767 11.954 3.478 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.142 11.335 5.025 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.363 10.861 3.498 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.509 13.659 2.215 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.054 12.634 2.184 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.965 14.286 2.840 1.00 0.00 H new ATOM 1154 N SER A 77 4.961 12.765 7.383 1.00 0.00 N ATOM 1155 CA SER A 77 5.912 13.656 8.038 1.00 0.00 C ATOM 1156 C SER A 77 7.328 13.409 7.528 1.00 0.00 C ATOM 1157 O SER A 77 7.838 12.290 7.591 1.00 0.00 O ATOM 1158 CB SER A 77 5.863 13.461 9.555 1.00 0.00 C ATOM 1159 OG SER A 77 4.566 13.723 10.061 1.00 0.00 O ATOM 0 H SER A 77 5.314 11.823 7.213 1.00 0.00 H new ATOM 0 HA SER A 77 5.633 14.683 7.801 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.154 12.440 9.803 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.584 14.124 10.033 1.00 0.00 H new ATOM 0 HG SER A 77 4.561 13.590 11.032 1.00 0.00 H new ATOM 1165 N LYS A 78 7.960 14.463 7.021 1.00 0.00 N ATOM 1166 CA LYS A 78 9.318 14.364 6.500 1.00 0.00 C ATOM 1167 C LYS A 78 10.331 14.268 7.636 1.00 0.00 C ATOM 1168 O LYS A 78 10.229 14.981 8.635 1.00 0.00 O ATOM 1169 CB LYS A 78 9.637 15.574 5.619 1.00 0.00 C ATOM 1170 CG LYS A 78 9.735 16.879 6.389 1.00 0.00 C ATOM 1171 CD LYS A 78 9.539 18.080 5.479 1.00 0.00 C ATOM 1172 CE LYS A 78 10.701 18.242 4.512 1.00 0.00 C ATOM 1173 NZ LYS A 78 10.389 19.214 3.428 1.00 0.00 N ATOM 0 H LYS A 78 7.553 15.396 6.960 1.00 0.00 H new ATOM 0 HA LYS A 78 9.385 13.457 5.900 1.00 0.00 H new ATOM 0 HB2 LYS A 78 10.579 15.397 5.100 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.865 15.670 4.855 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.984 16.894 7.179 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.709 16.944 6.874 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.611 17.966 4.919 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.438 18.982 6.082 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.583 18.577 5.057 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.946 17.275 4.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.206 19.296 2.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.562 18.882 2.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.180 20.144 3.845 1.00 0.00 H new ATOM 1187 N LYS A 79 11.310 13.384 7.477 1.00 0.00 N ATOM 1188 CA LYS A 79 12.344 13.196 8.488 1.00 0.00 C ATOM 1189 C LYS A 79 13.031 14.518 8.815 1.00 0.00 C ATOM 1190 O LYS A 79 13.774 15.063 7.998 1.00 0.00 O ATOM 1191 CB LYS A 79 13.379 12.177 8.005 1.00 0.00 C ATOM 1192 CG LYS A 79 12.769 10.866 7.539 1.00 0.00 C ATOM 1193 CD LYS A 79 12.650 9.870 8.681 1.00 0.00 C ATOM 1194 CE LYS A 79 12.200 8.505 8.185 1.00 0.00 C ATOM 1195 NZ LYS A 79 13.355 7.639 7.818 1.00 0.00 N ATOM 0 H LYS A 79 11.409 12.786 6.657 1.00 0.00 H new ATOM 0 HA LYS A 79 11.868 12.820 9.394 1.00 0.00 H new ATOM 0 HB2 LYS A 79 13.952 12.613 7.186 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.082 11.974 8.813 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.783 11.053 7.114 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.383 10.440 6.745 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.612 9.776 9.185 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.939 10.243 9.418 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.610 8.014 8.959 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.550 8.630 7.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.089 6.640 7.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.623 7.819 6.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.161 7.853 8.440 1.00 0.00 H new ATOM 1209 N LYS A 80 12.779 15.029 10.016 1.00 0.00 N ATOM 1210 CA LYS A 80 13.375 16.286 10.453 1.00 0.00 C ATOM 1211 C LYS A 80 14.889 16.152 10.588 1.00 0.00 C ATOM 1212 O LYS A 80 15.395 15.752 11.635 1.00 0.00 O ATOM 1213 CB LYS A 80 12.770 16.723 11.789 1.00 0.00 C ATOM 1214 CG LYS A 80 11.482 17.515 11.643 1.00 0.00 C ATOM 1215 CD LYS A 80 11.729 18.867 10.995 1.00 0.00 C ATOM 1216 CE LYS A 80 10.455 19.696 10.933 1.00 0.00 C ATOM 1217 NZ LYS A 80 10.662 20.976 10.202 1.00 0.00 N ATOM 0 H LYS A 80 12.166 14.592 10.704 1.00 0.00 H new ATOM 0 HA LYS A 80 13.161 17.043 9.699 1.00 0.00 H new ATOM 0 HB2 LYS A 80 12.576 15.839 12.397 1.00 0.00 H new ATOM 0 HB3 LYS A 80 13.499 17.327 12.328 1.00 0.00 H new ATOM 0 HG2 LYS A 80 10.771 16.947 11.043 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.029 17.658 12.624 1.00 0.00 H new ATOM 0 HD2 LYS A 80 12.489 19.408 11.558 1.00 0.00 H new ATOM 0 HD3 LYS A 80 12.120 18.723 9.988 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.670 19.120 10.442 1.00 0.00 H new ATOM 0 HE3 LYS A 80 10.110 19.907 11.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 9.771 21.512 10.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.393 21.537 10.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.967 20.774 9.228 1.00 0.00 H new ATOM 1231 N GLY A 81 15.606 16.491 9.521 1.00 0.00 N ATOM 1232 CA GLY A 81 17.054 16.403 9.542 1.00 0.00 C ATOM 1233 C GLY A 81 17.640 16.152 8.167 1.00 0.00 C ATOM 1234 O GLY A 81 16.909 15.895 7.211 1.00 0.00 O ATOM 0 H GLY A 81 15.210 16.825 8.642 1.00 0.00 H new ATOM 0 HA2 GLY A 81 17.465 17.328 9.945 1.00 0.00 H new ATOM 0 HA3 GLY A 81 17.356 15.600 10.214 1.00 0.00 H new ATOM 1238 N SER A 82 18.964 16.227 8.066 1.00 0.00 N ATOM 1239 CA SER A 82 19.647 16.011 6.797 1.00 0.00 C ATOM 1240 C SER A 82 21.118 15.673 7.022 1.00 0.00 C ATOM 1241 O SER A 82 21.832 16.392 7.718 1.00 0.00 O ATOM 1242 CB SER A 82 19.528 17.253 5.911 1.00 0.00 C ATOM 1243 OG SER A 82 20.026 18.402 6.574 1.00 0.00 O ATOM 0 H SER A 82 19.584 16.436 8.848 1.00 0.00 H new ATOM 0 HA SER A 82 19.171 15.168 6.296 1.00 0.00 H new ATOM 0 HB2 SER A 82 20.080 17.096 4.984 1.00 0.00 H new ATOM 0 HB3 SER A 82 18.484 17.410 5.638 1.00 0.00 H new ATOM 0 HG SER A 82 20.735 18.139 7.197 1.00 0.00 H new ATOM 1249 N GLY A 83 21.563 14.570 6.427 1.00 0.00 N ATOM 1250 CA GLY A 83 22.945 14.154 6.574 1.00 0.00 C ATOM 1251 C GLY A 83 23.856 14.795 5.546 1.00 0.00 C ATOM 1252 O GLY A 83 23.429 15.168 4.454 1.00 0.00 O ATOM 0 H GLY A 83 20.991 13.957 5.846 1.00 0.00 H new ATOM 0 HA2 GLY A 83 23.294 14.410 7.574 1.00 0.00 H new ATOM 0 HA3 GLY A 83 23.006 13.070 6.483 1.00 0.00 H new ATOM 1256 N PRO A 84 25.144 14.931 5.895 1.00 0.00 N ATOM 1257 CA PRO A 84 26.145 15.533 5.008 1.00 0.00 C ATOM 1258 C PRO A 84 26.461 14.648 3.807 1.00 0.00 C ATOM 1259 O PRO A 84 27.194 15.051 2.903 1.00 0.00 O ATOM 1260 CB PRO A 84 27.375 15.675 5.907 1.00 0.00 C ATOM 1261 CG PRO A 84 27.205 14.626 6.952 1.00 0.00 C ATOM 1262 CD PRO A 84 25.723 14.508 7.181 1.00 0.00 C ATOM 0 HA PRO A 84 25.800 16.476 4.583 1.00 0.00 H new ATOM 0 HB2 PRO A 84 28.296 15.527 5.344 1.00 0.00 H new ATOM 0 HB3 PRO A 84 27.429 16.670 6.350 1.00 0.00 H new ATOM 0 HG2 PRO A 84 27.626 13.676 6.624 1.00 0.00 H new ATOM 0 HG3 PRO A 84 27.721 14.903 7.871 1.00 0.00 H new ATOM 0 HD2 PRO A 84 25.436 13.488 7.435 1.00 0.00 H new ATOM 0 HD3 PRO A 84 25.391 15.146 8.000 1.00 0.00 H new ATOM 1270 N SER A 85 25.905 13.441 3.803 1.00 0.00 N ATOM 1271 CA SER A 85 26.131 12.498 2.714 1.00 0.00 C ATOM 1272 C SER A 85 24.873 12.336 1.867 1.00 0.00 C ATOM 1273 O SER A 85 23.938 11.634 2.252 1.00 0.00 O ATOM 1274 CB SER A 85 26.565 11.140 3.269 1.00 0.00 C ATOM 1275 OG SER A 85 27.945 11.138 3.591 1.00 0.00 O ATOM 0 H SER A 85 25.294 13.093 4.542 1.00 0.00 H new ATOM 0 HA SER A 85 26.925 12.894 2.081 1.00 0.00 H new ATOM 0 HB2 SER A 85 25.981 10.903 4.158 1.00 0.00 H new ATOM 0 HB3 SER A 85 26.358 10.361 2.535 1.00 0.00 H new ATOM 0 HG SER A 85 28.197 10.260 3.945 1.00 0.00 H new ATOM 1281 N SER A 86 24.858 12.989 0.709 1.00 0.00 N ATOM 1282 CA SER A 86 23.714 12.921 -0.193 1.00 0.00 C ATOM 1283 C SER A 86 24.087 12.210 -1.490 1.00 0.00 C ATOM 1284 O SER A 86 24.970 12.655 -2.223 1.00 0.00 O ATOM 1285 CB SER A 86 23.195 14.327 -0.499 1.00 0.00 C ATOM 1286 OG SER A 86 22.795 14.992 0.687 1.00 0.00 O ATOM 0 H SER A 86 25.625 13.571 0.373 1.00 0.00 H new ATOM 0 HA SER A 86 22.927 12.351 0.300 1.00 0.00 H new ATOM 0 HB2 SER A 86 23.973 14.904 -0.999 1.00 0.00 H new ATOM 0 HB3 SER A 86 22.352 14.265 -1.187 1.00 0.00 H new ATOM 0 HG SER A 86 22.469 15.889 0.465 1.00 0.00 H new ATOM 1292 N GLY A 87 23.407 11.102 -1.767 1.00 0.00 N ATOM 1293 CA GLY A 87 23.680 10.346 -2.976 1.00 0.00 C ATOM 1294 C GLY A 87 22.520 10.373 -3.951 1.00 0.00 C ATOM 1295 O GLY A 87 21.469 9.786 -3.691 1.00 0.00 O ATOM 0 H GLY A 87 22.672 10.714 -1.176 1.00 0.00 H new ATOM 0 HA2 GLY A 87 24.568 10.751 -3.461 1.00 0.00 H new ATOM 0 HA3 GLY A 87 23.904 9.313 -2.712 1.00 0.00 H new TER 1299 GLY A 87