USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 777 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 47 GLN : amide:sc= 1.07 K(o=3.4,f=-3.6) USER MOD Set 1.2: A 87 LYS NZ :NH3+ 142:sc= 2.34 (180deg=0.936) USER MOD Single : A 1 LYS N :NH3+ 138:sc= 0.73 (180deg=0.364) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 166:sc= 1 (180deg=0.032!) USER MOD Single : A 9 GLN : amide:sc= 0.188 X(o=0.19,f=-0.049) USER MOD Single : A 13 GLN : amide:sc= 0.0242 K(o=0.024,f=-1.1) USER MOD Single : A 22 SER OG : rot 29:sc= 1.16 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 149:sc= 1.14 (180deg=0.212!) USER MOD Single : A 45 ASN : amide:sc= 1.19 K(o=1.2,f=-1.3) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 1.18 K(o=1.2,f=-0.073) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 1.12 (180deg=1.12) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 71 LYS NZ :NH3+ 160:sc= 1.08 (180deg=0.269) USER MOD Single : A 74 TYR OH : rot 150:sc= -0.0464 USER MOD Single : A 75 LYS NZ :NH3+ -162:sc= 2.32 (180deg=2.18) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 ASN : amide:sc= 1.12 K(o=1.1,f=-0.035) USER MOD Single : A 84 THR OG1 : rot 127:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 1 1.932 12.901 4.839 1.00 0.00 N ATOM 36 CA LYS A 1 1.132 13.531 5.929 1.00 0.00 C ATOM 37 C LYS A 1 0.658 12.435 6.937 1.00 0.00 C ATOM 38 O LYS A 1 1.392 12.111 7.874 1.00 0.00 O ATOM 39 CB LYS A 1 0.004 14.458 5.383 1.00 0.00 C ATOM 40 CG LYS A 1 0.419 15.809 4.752 1.00 0.00 C ATOM 41 CD LYS A 1 0.675 15.739 3.230 1.00 0.00 C ATOM 42 CE LYS A 1 0.793 17.132 2.592 1.00 0.00 C ATOM 43 NZ LYS A 1 0.870 16.969 1.117 1.00 0.00 N ATOM 0 H1 LYS A 1 1.666 13.321 3.926 1.00 0.00 H new ATOM 0 H2 LYS A 1 2.944 13.064 5.013 1.00 0.00 H new ATOM 0 H3 LYS A 1 1.745 11.878 4.817 1.00 0.00 H new ATOM 0 HA LYS A 1 1.766 14.215 6.493 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -0.556 13.898 4.635 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -0.682 14.669 6.203 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -0.362 16.544 4.945 1.00 0.00 H new ATOM 0 HG3 LYS A 1 1.322 16.167 5.246 1.00 0.00 H new ATOM 0 HD2 LYS A 1 1.591 15.178 3.044 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -0.137 15.191 2.752 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -0.066 17.746 2.861 1.00 0.00 H new ATOM 0 HE3 LYS A 1 1.680 17.645 2.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 0.950 17.904 0.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 1.703 16.396 0.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 0.011 16.494 0.775 1.00 0.00 H new ATOM 57 N VAL A 2 -0.548 11.865 6.756 1.00 0.00 N ATOM 58 CA VAL A 2 -1.052 10.725 7.574 1.00 0.00 C ATOM 59 C VAL A 2 -1.123 9.510 6.591 1.00 0.00 C ATOM 60 O VAL A 2 -2.148 9.262 5.940 1.00 0.00 O ATOM 61 CB VAL A 2 -2.404 11.108 8.277 1.00 0.00 C ATOM 62 CG1 VAL A 2 -2.951 9.964 9.155 1.00 0.00 C ATOM 63 CG2 VAL A 2 -2.337 12.367 9.179 1.00 0.00 C ATOM 0 H VAL A 2 -1.207 12.175 6.041 1.00 0.00 H new ATOM 0 HA VAL A 2 -0.403 10.460 8.408 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.062 11.316 7.433 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.886 10.277 9.619 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -3.129 9.084 8.537 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.224 9.721 9.930 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.317 12.551 9.620 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -1.606 12.208 9.972 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -2.041 13.228 8.580 1.00 0.00 H new ATOM 73 N ASP A 3 0.002 8.787 6.439 1.00 0.00 N ATOM 74 CA ASP A 3 0.209 7.878 5.283 1.00 0.00 C ATOM 75 C ASP A 3 -0.228 6.425 5.633 1.00 0.00 C ATOM 76 O ASP A 3 0.507 5.662 6.268 1.00 0.00 O ATOM 77 CB ASP A 3 1.679 7.985 4.806 1.00 0.00 C ATOM 78 CG ASP A 3 2.107 9.236 4.034 1.00 0.00 C ATOM 79 OD1 ASP A 3 1.359 10.238 3.943 1.00 0.00 O ATOM 80 OD2 ASP A 3 3.232 9.205 3.495 1.00 0.00 O ATOM 0 H ASP A 3 0.782 8.810 7.096 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.425 8.180 4.449 1.00 0.00 H new ATOM 0 HB2 ASP A 3 2.319 7.902 5.684 1.00 0.00 H new ATOM 0 HB3 ASP A 3 1.887 7.120 4.177 1.00 0.00 H new ATOM 85 N ILE A 4 -1.454 6.062 5.218 1.00 0.00 N ATOM 86 CA ILE A 4 -2.109 4.790 5.620 1.00 0.00 C ATOM 87 C ILE A 4 -1.643 3.636 4.666 1.00 0.00 C ATOM 88 O ILE A 4 -2.099 3.556 3.521 1.00 0.00 O ATOM 89 CB ILE A 4 -3.687 4.898 5.612 1.00 0.00 C ATOM 90 CG1 ILE A 4 -4.395 6.258 5.898 1.00 0.00 C ATOM 91 CG2 ILE A 4 -4.317 3.780 6.476 1.00 0.00 C ATOM 92 CD1 ILE A 4 -4.256 6.853 7.298 1.00 0.00 C ATOM 0 H ILE A 4 -2.023 6.636 4.596 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.808 4.572 6.645 1.00 0.00 H new ATOM 0 HB ILE A 4 -3.882 4.782 4.546 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -4.016 6.989 5.184 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -5.458 6.132 5.692 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -5.403 3.873 6.456 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -4.029 2.807 6.078 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -3.964 3.871 7.503 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.799 7.797 7.348 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.667 6.159 8.031 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.203 7.029 7.516 1.00 0.00 H new ATOM 104 N THR A 5 -0.773 2.726 5.132 1.00 0.00 N ATOM 105 CA THR A 5 -0.405 1.500 4.361 1.00 0.00 C ATOM 106 C THR A 5 -1.126 0.275 5.016 1.00 0.00 C ATOM 107 O THR A 5 -0.677 -0.258 6.037 1.00 0.00 O ATOM 108 CB THR A 5 1.146 1.378 4.301 1.00 0.00 C ATOM 109 OG1 THR A 5 1.707 2.548 3.713 1.00 0.00 O ATOM 110 CG2 THR A 5 1.660 0.198 3.464 1.00 0.00 C ATOM 0 H THR A 5 -0.306 2.804 6.035 1.00 0.00 H new ATOM 0 HA THR A 5 -0.740 1.547 3.325 1.00 0.00 H new ATOM 0 HB THR A 5 1.448 1.230 5.338 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.683 2.462 3.681 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.750 0.190 3.477 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.285 -0.736 3.883 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.311 0.301 2.437 1.00 0.00 H new ATOM 118 N ILE A 6 -2.250 -0.166 4.422 1.00 0.00 N ATOM 119 CA ILE A 6 -3.056 -1.319 4.934 1.00 0.00 C ATOM 120 C ILE A 6 -2.463 -2.643 4.342 1.00 0.00 C ATOM 121 O ILE A 6 -2.710 -2.937 3.167 1.00 0.00 O ATOM 122 CB ILE A 6 -4.578 -1.129 4.559 1.00 0.00 C ATOM 123 CG1 ILE A 6 -5.264 0.187 5.038 1.00 0.00 C ATOM 124 CG2 ILE A 6 -5.469 -2.346 4.930 1.00 0.00 C ATOM 125 CD1 ILE A 6 -5.537 0.337 6.545 1.00 0.00 C ATOM 0 H ILE A 6 -2.634 0.256 3.577 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.003 -1.371 6.021 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.509 -1.046 3.474 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.641 1.025 4.724 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.214 0.282 4.513 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.501 -2.143 4.643 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.113 -3.231 4.403 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.419 -2.519 6.005 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -6.016 1.298 6.734 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.193 -0.467 6.878 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.596 0.287 7.092 1.00 0.00 H new ATOM 137 N LYS A 7 -1.725 -3.453 5.131 1.00 0.00 N ATOM 138 CA LYS A 7 -1.204 -4.771 4.652 1.00 0.00 C ATOM 139 C LYS A 7 -2.088 -5.940 5.190 1.00 0.00 C ATOM 140 O LYS A 7 -1.981 -6.323 6.360 1.00 0.00 O ATOM 141 CB LYS A 7 0.304 -4.983 4.970 1.00 0.00 C ATOM 142 CG LYS A 7 1.276 -3.845 4.561 1.00 0.00 C ATOM 143 CD LYS A 7 2.683 -4.347 4.169 1.00 0.00 C ATOM 144 CE LYS A 7 3.605 -3.213 3.680 1.00 0.00 C ATOM 145 NZ LYS A 7 4.748 -3.793 2.926 1.00 0.00 N ATOM 0 H LYS A 7 -1.473 -3.229 6.094 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.273 -4.766 3.564 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.405 -5.145 6.043 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.629 -5.899 4.477 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.848 -3.296 3.722 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.368 -3.141 5.388 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.141 -4.837 5.028 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.591 -5.098 3.385 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.047 -2.525 3.044 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.971 -2.636 4.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.235 -3.040 2.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.414 -4.236 3.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.396 -4.509 2.259 1.00 0.00 H new ATOM 159 N ILE A 8 -2.953 -6.511 4.331 1.00 0.00 N ATOM 160 CA ILE A 8 -3.833 -7.668 4.691 1.00 0.00 C ATOM 161 C ILE A 8 -3.158 -8.977 4.159 1.00 0.00 C ATOM 162 O ILE A 8 -3.183 -9.252 2.953 1.00 0.00 O ATOM 163 CB ILE A 8 -5.299 -7.438 4.161 1.00 0.00 C ATOM 164 CG1 ILE A 8 -6.024 -6.249 4.863 1.00 0.00 C ATOM 165 CG2 ILE A 8 -6.202 -8.697 4.300 1.00 0.00 C ATOM 166 CD1 ILE A 8 -7.150 -5.610 4.029 1.00 0.00 C ATOM 0 H ILE A 8 -3.071 -6.194 3.369 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.937 -7.765 5.772 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.160 -7.205 3.105 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.442 -6.600 5.807 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.288 -5.482 5.105 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.198 -8.474 3.918 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.770 -9.519 3.730 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.271 -8.981 5.350 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.600 -4.792 4.592 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.738 -5.225 3.096 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.910 -6.360 3.808 1.00 0.00 H new ATOM 178 N GLN A 9 -2.591 -9.794 5.066 1.00 0.00 N ATOM 179 CA GLN A 9 -1.970 -11.097 4.706 1.00 0.00 C ATOM 180 C GLN A 9 -2.958 -12.273 4.973 1.00 0.00 C ATOM 181 O GLN A 9 -3.414 -12.497 6.102 1.00 0.00 O ATOM 182 CB GLN A 9 -0.619 -11.237 5.460 1.00 0.00 C ATOM 183 CG GLN A 9 0.439 -12.131 4.768 1.00 0.00 C ATOM 184 CD GLN A 9 0.311 -13.657 4.836 1.00 0.00 C ATOM 185 OE1 GLN A 9 -0.447 -14.253 5.596 1.00 0.00 O ATOM 186 NE2 GLN A 9 1.111 -14.330 4.045 1.00 0.00 N ATOM 0 H GLN A 9 -2.547 -9.579 6.062 1.00 0.00 H new ATOM 0 HA GLN A 9 -1.754 -11.134 3.638 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.195 -10.242 5.598 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -0.817 -11.640 6.453 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.460 -11.853 3.714 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.411 -11.868 5.186 1.00 0.00 H new ATOM 0 HE21 GLN A 9 1.740 -13.834 3.414 1.00 0.00 H new ATOM 0 HE22 GLN A 9 1.104 -15.350 4.061 1.00 0.00 H new ATOM 195 N ARG A 10 -3.277 -13.018 3.907 1.00 0.00 N ATOM 196 CA ARG A 10 -4.108 -14.249 3.980 1.00 0.00 C ATOM 197 C ARG A 10 -3.451 -15.368 3.117 1.00 0.00 C ATOM 198 O ARG A 10 -3.151 -15.124 1.947 1.00 0.00 O ATOM 199 CB ARG A 10 -5.564 -13.910 3.530 1.00 0.00 C ATOM 200 CG ARG A 10 -5.793 -13.721 2.010 1.00 0.00 C ATOM 201 CD ARG A 10 -7.140 -13.092 1.594 1.00 0.00 C ATOM 202 NE ARG A 10 -7.644 -13.607 0.284 1.00 0.00 N ATOM 203 CZ ARG A 10 -7.022 -13.519 -0.892 1.00 0.00 C ATOM 204 NH1 ARG A 10 -5.953 -12.799 -1.089 1.00 0.00 N ATOM 205 NH2 ARG A 10 -7.487 -14.200 -1.898 1.00 0.00 N ATOM 0 H ARG A 10 -2.970 -12.792 2.961 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.163 -14.624 5.002 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.222 -14.706 3.877 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.874 -12.996 4.038 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.989 -13.098 1.618 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.706 -14.694 1.527 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.882 -13.292 2.367 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.026 -12.010 1.533 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.552 -14.071 0.291 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.549 -12.264 -0.320 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.520 -12.771 -2.012 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.312 -14.787 -1.778 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.026 -14.147 -2.806 1.00 0.00 H new ATOM 219 N ASP A 11 -3.273 -16.597 3.631 1.00 0.00 N ATOM 220 CA ASP A 11 -3.038 -17.813 2.769 1.00 0.00 C ATOM 221 C ASP A 11 -1.872 -17.714 1.699 1.00 0.00 C ATOM 222 O ASP A 11 -2.046 -18.040 0.519 1.00 0.00 O ATOM 223 CB ASP A 11 -4.399 -18.289 2.159 1.00 0.00 C ATOM 224 CG ASP A 11 -5.543 -18.547 3.143 1.00 0.00 C ATOM 225 OD1 ASP A 11 -6.289 -17.600 3.474 1.00 0.00 O ATOM 226 OD2 ASP A 11 -5.664 -19.673 3.666 1.00 0.00 O ATOM 0 H ASP A 11 -3.284 -16.795 4.632 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.645 -18.578 3.438 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.731 -17.539 1.441 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.218 -19.207 1.600 1.00 0.00 H new ATOM 231 N GLY A 12 -0.697 -17.195 2.112 1.00 0.00 N ATOM 232 CA GLY A 12 0.382 -16.772 1.165 1.00 0.00 C ATOM 233 C GLY A 12 0.155 -15.551 0.227 1.00 0.00 C ATOM 234 O GLY A 12 0.731 -15.527 -0.862 1.00 0.00 O ATOM 0 H GLY A 12 -0.461 -17.054 3.094 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.272 -16.564 1.759 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.613 -17.629 0.532 1.00 0.00 H new ATOM 238 N GLN A 13 -0.669 -14.564 0.620 1.00 0.00 N ATOM 239 CA GLN A 13 -1.054 -13.414 -0.250 1.00 0.00 C ATOM 240 C GLN A 13 -1.110 -12.107 0.610 1.00 0.00 C ATOM 241 O GLN A 13 -2.130 -11.808 1.244 1.00 0.00 O ATOM 242 CB GLN A 13 -2.430 -13.708 -0.929 1.00 0.00 C ATOM 243 CG GLN A 13 -2.455 -14.804 -2.027 1.00 0.00 C ATOM 244 CD GLN A 13 -3.863 -15.319 -2.343 1.00 0.00 C ATOM 245 OE1 GLN A 13 -4.662 -14.673 -3.020 1.00 0.00 O ATOM 246 NE2 GLN A 13 -4.228 -16.471 -1.829 1.00 0.00 N ATOM 0 H GLN A 13 -1.092 -14.531 1.547 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.312 -13.274 -1.036 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.138 -13.993 -0.150 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.796 -12.780 -1.369 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.010 -14.405 -2.938 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.833 -15.641 -1.708 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.569 -17.010 -1.267 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.170 -16.826 -1.992 1.00 0.00 H new ATOM 255 N GLU A 14 -0.023 -11.313 0.592 1.00 0.00 N ATOM 256 CA GLU A 14 0.059 -9.996 1.293 1.00 0.00 C ATOM 257 C GLU A 14 -0.413 -8.825 0.366 1.00 0.00 C ATOM 258 O GLU A 14 0.319 -8.351 -0.508 1.00 0.00 O ATOM 259 CB GLU A 14 1.448 -9.732 1.981 1.00 0.00 C ATOM 260 CG GLU A 14 2.722 -10.534 1.582 1.00 0.00 C ATOM 261 CD GLU A 14 2.747 -12.004 1.989 1.00 0.00 C ATOM 262 OE1 GLU A 14 3.114 -12.320 3.139 1.00 0.00 O ATOM 263 OE2 GLU A 14 2.360 -12.853 1.160 1.00 0.00 O ATOM 0 H GLU A 14 0.832 -11.558 0.092 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.644 -10.041 2.125 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.679 -8.677 1.833 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.304 -9.879 3.051 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.838 -10.476 0.500 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.589 -10.042 2.023 1.00 0.00 H new ATOM 270 N ILE A 15 -1.655 -8.350 0.583 1.00 0.00 N ATOM 271 CA ILE A 15 -2.265 -7.234 -0.198 1.00 0.00 C ATOM 272 C ILE A 15 -1.951 -5.901 0.558 1.00 0.00 C ATOM 273 O ILE A 15 -2.563 -5.607 1.592 1.00 0.00 O ATOM 274 CB ILE A 15 -3.797 -7.530 -0.444 1.00 0.00 C ATOM 275 CG1 ILE A 15 -4.070 -8.600 -1.546 1.00 0.00 C ATOM 276 CG2 ILE A 15 -4.622 -6.280 -0.856 1.00 0.00 C ATOM 277 CD1 ILE A 15 -3.711 -10.051 -1.199 1.00 0.00 C ATOM 0 H ILE A 15 -2.272 -8.724 1.304 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.842 -7.136 -1.198 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.113 -7.897 0.533 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.129 -8.563 -1.802 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.516 -8.317 -2.441 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.663 -6.565 -1.007 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.562 -5.529 -0.069 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.221 -5.868 -1.782 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.947 -10.697 -2.045 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.646 -10.119 -0.977 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.284 -10.369 -0.328 1.00 0.00 H new ATOM 289 N GLU A 16 -1.011 -5.102 0.020 1.00 0.00 N ATOM 290 CA GLU A 16 -0.614 -3.794 0.609 1.00 0.00 C ATOM 291 C GLU A 16 -1.204 -2.580 -0.173 1.00 0.00 C ATOM 292 O GLU A 16 -0.896 -2.348 -1.346 1.00 0.00 O ATOM 293 CB GLU A 16 0.912 -3.741 0.856 1.00 0.00 C ATOM 294 CG GLU A 16 1.900 -3.893 -0.326 1.00 0.00 C ATOM 295 CD GLU A 16 3.336 -3.872 0.164 1.00 0.00 C ATOM 296 OE1 GLU A 16 3.814 -4.898 0.697 1.00 0.00 O ATOM 297 OE2 GLU A 16 3.969 -2.799 0.157 1.00 0.00 O ATOM 0 H GLU A 16 -0.502 -5.337 -0.832 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.071 -3.705 1.595 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.128 -2.787 1.337 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.149 -4.523 1.578 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.704 -4.828 -0.851 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.744 -3.086 -1.042 1.00 0.00 H new ATOM 304 N ILE A 17 -2.079 -1.816 0.504 1.00 0.00 N ATOM 305 CA ILE A 17 -2.839 -0.687 -0.112 1.00 0.00 C ATOM 306 C ILE A 17 -2.336 0.644 0.535 1.00 0.00 C ATOM 307 O ILE A 17 -2.599 0.906 1.715 1.00 0.00 O ATOM 308 CB ILE A 17 -4.393 -0.899 0.051 1.00 0.00 C ATOM 309 CG1 ILE A 17 -4.950 -2.247 -0.502 1.00 0.00 C ATOM 310 CG2 ILE A 17 -5.244 0.276 -0.505 1.00 0.00 C ATOM 311 CD1 ILE A 17 -4.753 -2.516 -2.007 1.00 0.00 C ATOM 0 H ILE A 17 -2.287 -1.954 1.493 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.660 -0.642 -1.186 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.500 -0.934 1.135 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.482 -3.061 0.052 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -6.018 -2.287 -0.287 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.302 0.060 -0.358 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.985 1.194 0.022 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.043 0.399 -1.569 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.184 -3.484 -2.263 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.247 -1.734 -2.584 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.688 -2.520 -2.240 1.00 0.00 H new ATOM 323 N ASP A 18 -1.685 1.515 -0.262 1.00 0.00 N ATOM 324 CA ASP A 18 -1.467 2.940 0.114 1.00 0.00 C ATOM 325 C ASP A 18 -2.800 3.742 -0.061 1.00 0.00 C ATOM 326 O ASP A 18 -3.334 3.859 -1.170 1.00 0.00 O ATOM 327 CB ASP A 18 -0.325 3.504 -0.780 1.00 0.00 C ATOM 328 CG ASP A 18 0.248 4.876 -0.396 1.00 0.00 C ATOM 329 OD1 ASP A 18 -0.497 5.854 -0.160 1.00 0.00 O ATOM 330 OD2 ASP A 18 1.489 4.996 -0.347 1.00 0.00 O ATOM 0 H ASP A 18 -1.298 1.263 -1.172 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.173 3.031 1.160 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.493 2.783 -0.780 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.695 3.566 -1.803 1.00 0.00 H new ATOM 335 N ILE A 19 -3.346 4.277 1.040 1.00 0.00 N ATOM 336 CA ILE A 19 -4.545 5.172 0.996 1.00 0.00 C ATOM 337 C ILE A 19 -4.306 6.435 1.894 1.00 0.00 C ATOM 338 O ILE A 19 -5.017 6.698 2.867 1.00 0.00 O ATOM 339 CB ILE A 19 -5.862 4.339 1.220 1.00 0.00 C ATOM 340 CG1 ILE A 19 -7.186 5.119 0.983 1.00 0.00 C ATOM 341 CG2 ILE A 19 -5.943 3.647 2.603 1.00 0.00 C ATOM 342 CD1 ILE A 19 -7.372 5.703 -0.430 1.00 0.00 C ATOM 0 H ILE A 19 -2.987 4.114 1.981 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.701 5.600 0.006 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.775 3.580 0.442 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -8.022 4.452 1.194 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -7.240 5.935 1.704 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.879 3.094 2.679 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.105 2.959 2.715 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.902 4.400 3.390 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -8.327 6.226 -0.485 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.563 6.402 -0.644 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -7.358 4.896 -1.162 1.00 0.00 H new ATOM 354 N ARG A 20 -3.278 7.224 1.536 1.00 0.00 N ATOM 355 CA ARG A 20 -2.762 8.346 2.370 1.00 0.00 C ATOM 356 C ARG A 20 -3.666 9.618 2.470 1.00 0.00 C ATOM 357 O ARG A 20 -4.311 10.035 1.504 1.00 0.00 O ATOM 358 CB ARG A 20 -1.308 8.654 1.922 1.00 0.00 C ATOM 359 CG ARG A 20 -1.072 9.129 0.463 1.00 0.00 C ATOM 360 CD ARG A 20 0.405 9.458 0.178 1.00 0.00 C ATOM 361 NE ARG A 20 1.215 8.208 0.085 1.00 0.00 N ATOM 362 CZ ARG A 20 2.522 8.121 0.333 1.00 0.00 C ATOM 363 NH1 ARG A 20 3.287 9.150 0.599 1.00 0.00 N ATOM 364 NH2 ARG A 20 3.077 6.949 0.313 1.00 0.00 N ATOM 0 H ARG A 20 -2.773 7.108 0.657 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.778 8.004 3.405 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.910 9.419 2.589 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.714 7.753 2.079 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.407 8.354 -0.226 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.681 10.012 0.270 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.485 10.019 -0.753 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.800 10.095 0.969 1.00 0.00 H new ATOM 0 HE ARG A 20 0.731 7.353 -0.190 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.888 10.089 0.625 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.281 9.013 0.780 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.515 6.122 0.111 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.075 6.854 0.499 1.00 0.00 H new ATOM 378 N VAL A 21 -3.714 10.221 3.673 1.00 0.00 N ATOM 379 CA VAL A 21 -4.766 11.212 4.051 1.00 0.00 C ATOM 380 C VAL A 21 -4.098 12.594 4.369 1.00 0.00 C ATOM 381 O VAL A 21 -3.269 12.720 5.277 1.00 0.00 O ATOM 382 CB VAL A 21 -5.625 10.612 5.226 1.00 0.00 C ATOM 383 CG1 VAL A 21 -6.579 11.607 5.929 1.00 0.00 C ATOM 384 CG2 VAL A 21 -6.507 9.424 4.762 1.00 0.00 C ATOM 0 H VAL A 21 -3.034 10.044 4.413 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.456 11.404 3.229 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.858 10.302 5.935 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.122 11.092 6.721 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.000 12.425 6.358 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.288 12.006 5.203 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.080 9.044 5.608 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.190 9.761 3.982 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.871 8.630 4.369 1.00 0.00 H new ATOM 394 N SER A 22 -4.538 13.649 3.659 1.00 0.00 N ATOM 395 CA SER A 22 -4.320 15.062 4.083 1.00 0.00 C ATOM 396 C SER A 22 -5.623 15.881 3.842 1.00 0.00 C ATOM 397 O SER A 22 -5.809 16.455 2.761 1.00 0.00 O ATOM 398 CB SER A 22 -3.087 15.665 3.365 1.00 0.00 C ATOM 399 OG SER A 22 -3.339 15.940 1.985 1.00 0.00 O ATOM 0 H SER A 22 -5.051 13.558 2.782 1.00 0.00 H new ATOM 0 HA SER A 22 -4.099 15.100 5.150 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.792 16.586 3.868 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.248 14.974 3.447 1.00 0.00 H new ATOM 0 HG SER A 22 -4.291 16.134 1.859 1.00 0.00 H new ATOM 405 N THR A 23 -6.545 15.873 4.820 1.00 0.00 N ATOM 406 CA THR A 23 -7.938 16.391 4.625 1.00 0.00 C ATOM 407 C THR A 23 -8.618 16.693 6.000 1.00 0.00 C ATOM 408 O THR A 23 -8.797 17.867 6.334 1.00 0.00 O ATOM 409 CB THR A 23 -8.777 15.557 3.590 1.00 0.00 C ATOM 410 OG1 THR A 23 -10.138 15.982 3.576 1.00 0.00 O ATOM 411 CG2 THR A 23 -8.767 14.026 3.743 1.00 0.00 C ATOM 0 H THR A 23 -6.365 15.516 5.758 1.00 0.00 H new ATOM 0 HA THR A 23 -7.882 17.359 4.127 1.00 0.00 H new ATOM 0 HB THR A 23 -8.259 15.765 2.654 1.00 0.00 H new ATOM 0 HG1 THR A 23 -10.640 15.450 2.924 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.385 13.579 2.965 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.745 13.658 3.651 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.163 13.756 4.722 1.00 0.00 H new ATOM 419 N GLY A 24 -8.983 15.670 6.800 1.00 0.00 N ATOM 420 CA GLY A 24 -9.754 15.873 8.060 1.00 0.00 C ATOM 421 C GLY A 24 -11.245 15.499 7.911 1.00 0.00 C ATOM 422 O GLY A 24 -11.921 15.976 6.996 1.00 0.00 O ATOM 0 H GLY A 24 -8.760 14.694 6.603 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -9.310 15.272 8.854 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.674 16.916 8.367 1.00 0.00 H new ATOM 426 N LYS A 25 -11.755 14.606 8.782 1.00 0.00 N ATOM 427 CA LYS A 25 -13.109 13.963 8.629 1.00 0.00 C ATOM 428 C LYS A 25 -13.241 12.891 7.492 1.00 0.00 C ATOM 429 O LYS A 25 -13.860 11.844 7.714 1.00 0.00 O ATOM 430 CB LYS A 25 -14.325 14.940 8.638 1.00 0.00 C ATOM 431 CG LYS A 25 -14.492 15.774 9.929 1.00 0.00 C ATOM 432 CD LYS A 25 -15.762 16.650 9.896 1.00 0.00 C ATOM 433 CE LYS A 25 -15.911 17.501 11.170 1.00 0.00 C ATOM 434 NZ LYS A 25 -17.160 18.306 11.090 1.00 0.00 N ATOM 0 H LYS A 25 -11.254 14.299 9.616 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.162 13.404 9.563 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -14.228 15.623 7.794 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -15.235 14.362 8.478 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -14.536 15.105 10.789 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.617 16.410 10.065 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -15.728 17.305 9.025 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -16.639 16.013 9.782 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -15.937 16.857 12.049 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -15.049 18.159 11.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -17.259 18.880 11.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -17.117 18.931 10.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -17.978 17.670 11.002 1.00 0.00 H new ATOM 448 N GLU A 26 -12.653 13.116 6.301 1.00 0.00 N ATOM 449 CA GLU A 26 -12.600 12.122 5.187 1.00 0.00 C ATOM 450 C GLU A 26 -11.504 11.026 5.466 1.00 0.00 C ATOM 451 O GLU A 26 -10.411 10.981 4.897 1.00 0.00 O ATOM 452 CB GLU A 26 -12.434 12.845 3.818 1.00 0.00 C ATOM 453 CG GLU A 26 -13.278 14.127 3.562 1.00 0.00 C ATOM 454 CD GLU A 26 -13.624 14.387 2.109 1.00 0.00 C ATOM 455 OE1 GLU A 26 -12.754 14.887 1.370 1.00 0.00 O ATOM 456 OE2 GLU A 26 -14.775 14.089 1.711 1.00 0.00 O ATOM 0 H GLU A 26 -12.194 13.998 6.073 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.548 11.586 5.133 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.383 13.109 3.705 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.669 12.128 3.031 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.204 14.054 4.133 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.731 14.987 3.949 1.00 0.00 H new ATOM 463 N LEU A 27 -11.839 10.192 6.454 1.00 0.00 N ATOM 464 CA LEU A 27 -10.889 9.347 7.232 1.00 0.00 C ATOM 465 C LEU A 27 -11.730 8.322 8.059 1.00 0.00 C ATOM 466 O LEU A 27 -11.539 7.123 7.873 1.00 0.00 O ATOM 467 CB LEU A 27 -9.911 10.211 8.094 1.00 0.00 C ATOM 468 CG LEU A 27 -8.972 9.482 9.097 1.00 0.00 C ATOM 469 CD1 LEU A 27 -8.021 8.467 8.436 1.00 0.00 C ATOM 470 CD2 LEU A 27 -8.139 10.506 9.886 1.00 0.00 C ATOM 0 H LEU A 27 -12.806 10.072 6.755 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.230 8.792 6.564 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.286 10.786 7.411 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.509 10.927 8.658 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.629 8.920 9.761 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.399 8.000 9.200 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.604 7.701 7.925 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.386 8.980 7.714 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.486 9.983 10.585 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.535 11.093 9.195 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.805 11.168 10.439 1.00 0.00 H new ATOM 482 N GLU A 28 -12.686 8.764 8.911 1.00 0.00 N ATOM 483 CA GLU A 28 -13.743 7.878 9.496 1.00 0.00 C ATOM 484 C GLU A 28 -14.619 7.089 8.449 1.00 0.00 C ATOM 485 O GLU A 28 -14.783 5.871 8.572 1.00 0.00 O ATOM 486 CB GLU A 28 -14.574 8.770 10.458 1.00 0.00 C ATOM 487 CG GLU A 28 -15.606 8.017 11.338 1.00 0.00 C ATOM 488 CD GLU A 28 -16.414 8.932 12.243 1.00 0.00 C ATOM 489 OE1 GLU A 28 -17.396 9.534 11.761 1.00 0.00 O ATOM 490 OE2 GLU A 28 -16.072 9.043 13.438 1.00 0.00 O ATOM 0 H GLU A 28 -12.754 9.735 9.215 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.268 7.057 10.033 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.887 9.307 11.112 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -15.103 9.518 9.867 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -16.288 7.464 10.692 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -15.082 7.283 11.951 1.00 0.00 H new ATOM 497 N ARG A 29 -15.109 7.769 7.390 1.00 0.00 N ATOM 498 CA ARG A 29 -15.691 7.113 6.177 1.00 0.00 C ATOM 499 C ARG A 29 -14.780 6.037 5.482 1.00 0.00 C ATOM 500 O ARG A 29 -15.233 4.911 5.252 1.00 0.00 O ATOM 501 CB ARG A 29 -16.077 8.244 5.176 1.00 0.00 C ATOM 502 CG ARG A 29 -17.328 9.103 5.523 1.00 0.00 C ATOM 503 CD ARG A 29 -17.288 10.570 5.034 1.00 0.00 C ATOM 504 NE ARG A 29 -17.046 10.687 3.565 1.00 0.00 N ATOM 505 CZ ARG A 29 -16.554 11.769 2.962 1.00 0.00 C ATOM 506 NH1 ARG A 29 -16.540 12.959 3.494 1.00 0.00 N ATOM 507 NH2 ARG A 29 -16.042 11.661 1.773 1.00 0.00 N ATOM 0 H ARG A 29 -15.117 8.788 7.342 1.00 0.00 H new ATOM 0 HA ARG A 29 -16.556 6.538 6.506 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -15.223 8.914 5.078 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -16.239 7.790 4.199 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -18.207 8.621 5.097 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -17.458 9.103 6.605 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -18.232 11.056 5.281 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -16.504 11.105 5.570 1.00 0.00 H new ATOM 0 HE ARG A 29 -17.273 9.882 2.982 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -16.922 13.104 4.429 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -16.147 13.745 2.976 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -16.019 10.753 1.308 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -15.663 12.484 1.304 1.00 0.00 H new ATOM 521 N ALA A 30 -13.507 6.371 5.179 1.00 0.00 N ATOM 522 CA ALA A 30 -12.498 5.385 4.707 1.00 0.00 C ATOM 523 C ALA A 30 -12.169 4.226 5.702 1.00 0.00 C ATOM 524 O ALA A 30 -12.225 3.068 5.296 1.00 0.00 O ATOM 525 CB ALA A 30 -11.250 6.187 4.288 1.00 0.00 C ATOM 0 H ALA A 30 -13.147 7.323 5.252 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.921 4.839 3.863 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.480 5.502 3.933 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.514 6.881 3.490 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.872 6.746 5.144 1.00 0.00 H new ATOM 531 N LEU A 31 -11.894 4.509 6.990 1.00 0.00 N ATOM 532 CA LEU A 31 -11.783 3.490 8.078 1.00 0.00 C ATOM 533 C LEU A 31 -12.953 2.449 8.178 1.00 0.00 C ATOM 534 O LEU A 31 -12.674 1.253 8.283 1.00 0.00 O ATOM 535 CB LEU A 31 -11.513 4.293 9.382 1.00 0.00 C ATOM 536 CG LEU A 31 -11.187 3.464 10.657 1.00 0.00 C ATOM 537 CD1 LEU A 31 -9.968 4.037 11.401 1.00 0.00 C ATOM 538 CD2 LEU A 31 -12.392 3.410 11.613 1.00 0.00 C ATOM 0 H LEU A 31 -11.739 5.462 7.319 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.961 2.810 7.856 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.682 4.974 9.197 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -12.388 4.908 9.590 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.954 2.452 10.326 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.767 3.435 12.287 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.099 4.018 10.744 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.174 5.065 11.700 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.132 2.823 12.494 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.661 4.422 11.917 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -13.238 2.947 11.106 1.00 0.00 H new ATOM 550 N GLN A 32 -14.229 2.873 8.089 1.00 0.00 N ATOM 551 CA GLN A 32 -15.394 1.947 8.008 1.00 0.00 C ATOM 552 C GLN A 32 -15.479 1.069 6.703 1.00 0.00 C ATOM 553 O GLN A 32 -15.678 -0.146 6.806 1.00 0.00 O ATOM 554 CB GLN A 32 -16.653 2.817 8.272 1.00 0.00 C ATOM 555 CG GLN A 32 -17.941 2.006 8.556 1.00 0.00 C ATOM 556 CD GLN A 32 -19.194 2.859 8.773 1.00 0.00 C ATOM 557 OE1 GLN A 32 -19.993 3.085 7.873 1.00 0.00 O ATOM 558 NE2 GLN A 32 -19.417 3.352 9.969 1.00 0.00 N ATOM 0 H GLN A 32 -14.488 3.859 8.071 1.00 0.00 H new ATOM 0 HA GLN A 32 -15.290 1.167 8.763 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -16.456 3.472 9.121 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -16.825 3.458 7.407 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -18.119 1.327 7.722 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -17.779 1.389 9.440 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -18.758 3.170 10.726 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -20.249 3.917 10.141 1.00 0.00 H new ATOM 567 N GLU A 33 -15.304 1.641 5.491 1.00 0.00 N ATOM 568 CA GLU A 33 -15.123 0.841 4.236 1.00 0.00 C ATOM 569 C GLU A 33 -13.852 -0.090 4.207 1.00 0.00 C ATOM 570 O GLU A 33 -13.941 -1.245 3.776 1.00 0.00 O ATOM 571 CB GLU A 33 -15.223 1.823 3.034 1.00 0.00 C ATOM 572 CG GLU A 33 -15.282 1.188 1.616 1.00 0.00 C ATOM 573 CD GLU A 33 -16.458 0.268 1.310 1.00 0.00 C ATOM 574 OE1 GLU A 33 -17.630 0.685 1.427 1.00 0.00 O ATOM 575 OE2 GLU A 33 -16.228 -0.899 0.940 1.00 0.00 O ATOM 0 H GLU A 33 -15.283 2.650 5.344 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.923 0.102 4.177 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -16.114 2.437 3.169 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -14.365 2.494 3.071 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -15.287 1.996 0.885 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -14.363 0.623 1.461 1.00 0.00 H new ATOM 582 N LEU A 34 -12.695 0.367 4.722 1.00 0.00 N ATOM 583 CA LEU A 34 -11.513 -0.498 5.002 1.00 0.00 C ATOM 584 C LEU A 34 -11.753 -1.649 6.038 1.00 0.00 C ATOM 585 O LEU A 34 -11.319 -2.767 5.760 1.00 0.00 O ATOM 586 CB LEU A 34 -10.294 0.389 5.388 1.00 0.00 C ATOM 587 CG LEU A 34 -9.733 1.329 4.283 1.00 0.00 C ATOM 588 CD1 LEU A 34 -8.802 2.389 4.896 1.00 0.00 C ATOM 589 CD2 LEU A 34 -9.010 0.559 3.162 1.00 0.00 C ATOM 0 H LEU A 34 -12.544 1.348 4.959 1.00 0.00 H new ATOM 0 HA LEU A 34 -11.304 -1.032 4.075 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.577 1.002 6.244 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.488 -0.266 5.718 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.589 1.826 3.826 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.419 3.037 4.107 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.357 2.986 5.619 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.969 1.896 5.396 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.639 1.263 2.418 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.173 0.002 3.584 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.706 -0.134 2.690 1.00 0.00 H new ATOM 601 N GLU A 35 -12.456 -1.439 7.175 1.00 0.00 N ATOM 602 CA GLU A 35 -12.899 -2.551 8.077 1.00 0.00 C ATOM 603 C GLU A 35 -13.837 -3.629 7.417 1.00 0.00 C ATOM 604 O GLU A 35 -13.588 -4.833 7.540 1.00 0.00 O ATOM 605 CB GLU A 35 -13.374 -1.974 9.447 1.00 0.00 C ATOM 606 CG GLU A 35 -14.886 -1.807 9.752 1.00 0.00 C ATOM 607 CD GLU A 35 -15.177 -1.445 11.201 1.00 0.00 C ATOM 608 OE1 GLU A 35 -15.171 -0.250 11.561 1.00 0.00 O ATOM 609 OE2 GLU A 35 -15.416 -2.361 12.013 1.00 0.00 O ATOM 0 H GLU A 35 -12.734 -0.512 7.498 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.025 -3.168 8.284 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -12.958 -2.613 10.226 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -12.913 -0.993 9.559 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -15.296 -1.033 9.103 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -15.403 -2.735 9.507 1.00 0.00 H new ATOM 616 N LYS A 36 -14.854 -3.185 6.653 1.00 0.00 N ATOM 617 CA LYS A 36 -15.585 -4.025 5.659 1.00 0.00 C ATOM 618 C LYS A 36 -14.684 -4.824 4.647 1.00 0.00 C ATOM 619 O LYS A 36 -14.820 -6.046 4.584 1.00 0.00 O ATOM 620 CB LYS A 36 -16.622 -3.064 5.011 1.00 0.00 C ATOM 621 CG LYS A 36 -17.441 -3.572 3.798 1.00 0.00 C ATOM 622 CD LYS A 36 -18.263 -2.418 3.184 1.00 0.00 C ATOM 623 CE LYS A 36 -18.705 -2.665 1.730 1.00 0.00 C ATOM 624 NZ LYS A 36 -19.256 -1.393 1.191 1.00 0.00 N ATOM 0 H LYS A 36 -15.201 -2.227 6.702 1.00 0.00 H new ATOM 0 HA LYS A 36 -16.078 -4.864 6.150 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -17.328 -2.766 5.786 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -16.091 -2.164 4.700 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -16.770 -3.989 3.047 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -18.108 -4.375 4.112 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -19.148 -2.250 3.798 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -17.670 -1.504 3.222 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -17.861 -2.999 1.127 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -19.457 -3.453 1.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -19.076 -1.343 0.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -20.281 -1.357 1.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -18.797 -0.588 1.663 1.00 0.00 H new ATOM 638 N ALA A 37 -13.772 -4.180 3.889 1.00 0.00 N ATOM 639 CA ALA A 37 -12.769 -4.889 3.036 1.00 0.00 C ATOM 640 C ALA A 37 -11.767 -5.853 3.767 1.00 0.00 C ATOM 641 O ALA A 37 -11.564 -6.980 3.307 1.00 0.00 O ATOM 642 CB ALA A 37 -12.053 -3.799 2.215 1.00 0.00 C ATOM 0 H ALA A 37 -13.702 -3.163 3.844 1.00 0.00 H new ATOM 0 HA ALA A 37 -13.308 -5.598 2.408 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -11.305 -4.261 1.570 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.781 -3.267 1.603 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.565 -3.096 2.890 1.00 0.00 H new ATOM 648 N LEU A 38 -11.196 -5.444 4.915 1.00 0.00 N ATOM 649 CA LEU A 38 -10.455 -6.327 5.870 1.00 0.00 C ATOM 650 C LEU A 38 -11.220 -7.628 6.298 1.00 0.00 C ATOM 651 O LEU A 38 -10.684 -8.730 6.142 1.00 0.00 O ATOM 652 CB LEU A 38 -10.049 -5.380 7.046 1.00 0.00 C ATOM 653 CG LEU A 38 -9.017 -5.837 8.111 1.00 0.00 C ATOM 654 CD1 LEU A 38 -8.647 -4.640 9.010 1.00 0.00 C ATOM 655 CD2 LEU A 38 -9.520 -6.974 9.013 1.00 0.00 C ATOM 0 H LEU A 38 -11.231 -4.472 5.222 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.578 -6.771 5.400 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.665 -4.462 6.601 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.964 -5.118 7.578 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.157 -6.215 7.558 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.922 -4.958 9.759 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.214 -3.847 8.400 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.543 -4.268 9.507 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.744 -7.239 9.731 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -10.412 -6.647 9.547 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.761 -7.844 8.402 1.00 0.00 H new ATOM 667 N ALA A 39 -12.467 -7.508 6.795 1.00 0.00 N ATOM 668 CA ALA A 39 -13.346 -8.673 7.077 1.00 0.00 C ATOM 669 C ALA A 39 -13.809 -9.502 5.830 1.00 0.00 C ATOM 670 O ALA A 39 -13.657 -10.727 5.830 1.00 0.00 O ATOM 671 CB ALA A 39 -14.525 -8.130 7.908 1.00 0.00 C ATOM 0 H ALA A 39 -12.896 -6.609 7.013 1.00 0.00 H new ATOM 0 HA ALA A 39 -12.770 -9.419 7.625 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -15.208 -8.945 8.146 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -14.148 -7.691 8.832 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -15.054 -7.369 7.335 1.00 0.00 H new ATOM 677 N ARG A 40 -14.349 -8.862 4.774 1.00 0.00 N ATOM 678 CA ARG A 40 -14.829 -9.564 3.543 1.00 0.00 C ATOM 679 C ARG A 40 -13.749 -10.261 2.645 1.00 0.00 C ATOM 680 O ARG A 40 -14.070 -11.269 2.011 1.00 0.00 O ATOM 681 CB ARG A 40 -15.722 -8.598 2.711 1.00 0.00 C ATOM 682 CG ARG A 40 -17.070 -8.216 3.376 1.00 0.00 C ATOM 683 CD ARG A 40 -17.970 -7.362 2.465 1.00 0.00 C ATOM 684 NE ARG A 40 -19.233 -7.044 3.188 1.00 0.00 N ATOM 685 CZ ARG A 40 -20.380 -6.663 2.623 1.00 0.00 C ATOM 686 NH1 ARG A 40 -20.526 -6.472 1.336 1.00 0.00 N ATOM 687 NH2 ARG A 40 -21.412 -6.472 3.394 1.00 0.00 N ATOM 0 H ARG A 40 -14.469 -7.850 4.739 1.00 0.00 H new ATOM 0 HA ARG A 40 -15.402 -10.412 3.917 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -15.159 -7.685 2.515 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -15.928 -9.059 1.745 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -17.602 -9.126 3.654 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -16.872 -7.669 4.298 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -17.456 -6.443 2.184 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -18.190 -7.900 1.543 1.00 0.00 H new ATOM 0 HE ARG A 40 -19.220 -7.125 4.205 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -19.736 -6.615 0.706 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -21.429 -6.180 0.963 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -21.330 -6.614 4.401 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -22.303 -6.180 2.991 1.00 0.00 H new ATOM 701 N ALA A 41 -12.494 -9.779 2.598 1.00 0.00 N ATOM 702 CA ALA A 41 -11.364 -10.531 1.982 1.00 0.00 C ATOM 703 C ALA A 41 -10.922 -11.878 2.657 1.00 0.00 C ATOM 704 O ALA A 41 -10.361 -12.733 1.967 1.00 0.00 O ATOM 705 CB ALA A 41 -10.188 -9.537 1.900 1.00 0.00 C ATOM 0 H ALA A 41 -12.227 -8.871 2.978 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.715 -10.888 1.014 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.324 -10.031 1.455 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.475 -8.684 1.285 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.932 -9.193 2.902 1.00 0.00 H new ATOM 711 N GLY A 42 -11.143 -12.068 3.973 1.00 0.00 N ATOM 712 CA GLY A 42 -10.711 -13.291 4.705 1.00 0.00 C ATOM 713 C GLY A 42 -9.273 -13.253 5.256 1.00 0.00 C ATOM 714 O GLY A 42 -8.444 -14.085 4.883 1.00 0.00 O ATOM 0 H GLY A 42 -11.622 -11.387 4.562 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.397 -13.459 5.535 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.804 -14.147 4.037 1.00 0.00 H new ATOM 718 N ALA A 43 -8.983 -12.301 6.155 1.00 0.00 N ATOM 719 CA ALA A 43 -7.612 -12.065 6.665 1.00 0.00 C ATOM 720 C ALA A 43 -7.078 -13.108 7.700 1.00 0.00 C ATOM 721 O ALA A 43 -7.842 -13.767 8.415 1.00 0.00 O ATOM 722 CB ALA A 43 -7.658 -10.654 7.271 1.00 0.00 C ATOM 0 H ALA A 43 -9.683 -11.673 6.551 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.904 -12.171 5.843 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.678 -10.399 7.674 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.931 -9.935 6.499 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.398 -10.626 8.071 1.00 0.00 H new ATOM 728 N ARG A 44 -5.741 -13.224 7.798 1.00 0.00 N ATOM 729 CA ARG A 44 -5.071 -13.978 8.898 1.00 0.00 C ATOM 730 C ARG A 44 -4.089 -13.093 9.734 1.00 0.00 C ATOM 731 O ARG A 44 -4.235 -13.039 10.959 1.00 0.00 O ATOM 732 CB ARG A 44 -4.421 -15.285 8.342 1.00 0.00 C ATOM 733 CG ARG A 44 -4.722 -16.548 9.186 1.00 0.00 C ATOM 734 CD ARG A 44 -6.167 -17.094 9.031 1.00 0.00 C ATOM 735 NE ARG A 44 -6.222 -18.321 8.185 1.00 0.00 N ATOM 736 CZ ARG A 44 -6.294 -18.355 6.853 1.00 0.00 C ATOM 737 NH1 ARG A 44 -6.492 -17.301 6.102 1.00 0.00 N ATOM 738 NH2 ARG A 44 -6.149 -19.508 6.269 1.00 0.00 N ATOM 0 H ARG A 44 -5.092 -12.807 7.130 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.835 -14.279 9.615 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.774 -15.449 7.324 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.341 -15.146 8.287 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.018 -17.332 8.907 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.544 -16.319 10.237 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.576 -17.316 10.016 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.799 -16.323 8.590 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.203 -19.218 8.670 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.602 -16.382 6.531 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.536 -17.399 5.088 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.987 -20.346 6.828 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.198 -19.574 5.252 1.00 0.00 H new ATOM 752 N ASN A 45 -3.107 -12.428 9.092 1.00 0.00 N ATOM 753 CA ASN A 45 -2.190 -11.463 9.760 1.00 0.00 C ATOM 754 C ASN A 45 -2.350 -10.063 9.088 1.00 0.00 C ATOM 755 O ASN A 45 -1.987 -9.878 7.925 1.00 0.00 O ATOM 756 CB ASN A 45 -0.746 -12.030 9.694 1.00 0.00 C ATOM 757 CG ASN A 45 0.315 -11.184 10.418 1.00 0.00 C ATOM 758 OD1 ASN A 45 0.175 -10.842 11.587 1.00 0.00 O ATOM 759 ND2 ASN A 45 1.398 -10.836 9.762 1.00 0.00 N ATOM 0 H ASN A 45 -2.922 -12.540 8.095 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.432 -11.330 10.814 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.745 -13.032 10.122 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.458 -12.130 8.648 1.00 0.00 H new ATOM 0 HD21 ASN A 45 2.119 -10.283 10.225 1.00 0.00 H new ATOM 0 HD22 ASN A 45 1.518 -11.119 8.789 1.00 0.00 H new ATOM 766 N VAL A 46 -2.887 -9.074 9.816 1.00 0.00 N ATOM 767 CA VAL A 46 -3.095 -7.696 9.271 1.00 0.00 C ATOM 768 C VAL A 46 -2.035 -6.755 9.922 1.00 0.00 C ATOM 769 O VAL A 46 -2.064 -6.545 11.137 1.00 0.00 O ATOM 770 CB VAL A 46 -4.571 -7.203 9.463 1.00 0.00 C ATOM 771 CG1 VAL A 46 -4.812 -5.808 8.842 1.00 0.00 C ATOM 772 CG2 VAL A 46 -5.632 -8.154 8.866 1.00 0.00 C ATOM 0 H VAL A 46 -3.190 -9.187 10.783 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.948 -7.692 8.191 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.688 -7.170 10.546 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.849 -5.513 9.002 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.151 -5.081 9.313 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.607 -5.846 7.772 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.627 -7.744 9.039 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.464 -8.259 7.794 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.554 -9.131 9.343 1.00 0.00 H new ATOM 782 N GLN A 47 -1.122 -6.172 9.122 1.00 0.00 N ATOM 783 CA GLN A 47 -0.153 -5.156 9.619 1.00 0.00 C ATOM 784 C GLN A 47 -0.393 -3.767 8.960 1.00 0.00 C ATOM 785 O GLN A 47 0.008 -3.512 7.821 1.00 0.00 O ATOM 786 CB GLN A 47 1.300 -5.702 9.617 1.00 0.00 C ATOM 787 CG GLN A 47 2.007 -5.987 8.270 1.00 0.00 C ATOM 788 CD GLN A 47 3.373 -6.655 8.461 1.00 0.00 C ATOM 789 OE1 GLN A 47 4.357 -6.026 8.843 1.00 0.00 O ATOM 790 NE2 GLN A 47 3.467 -7.946 8.257 1.00 0.00 N ATOM 0 H GLN A 47 -1.029 -6.382 8.128 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.336 -4.959 10.675 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.917 -4.990 10.165 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.301 -6.630 10.189 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.373 -6.629 7.658 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.135 -5.052 7.724 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.653 -8.473 7.940 1.00 0.00 H new ATOM 0 HE22 GLN A 47 4.354 -8.424 8.415 1.00 0.00 H new ATOM 799 N ILE A 48 -1.065 -2.860 9.692 1.00 0.00 N ATOM 800 CA ILE A 48 -1.322 -1.467 9.218 1.00 0.00 C ATOM 801 C ILE A 48 -0.103 -0.590 9.647 1.00 0.00 C ATOM 802 O ILE A 48 0.088 -0.347 10.844 1.00 0.00 O ATOM 803 CB ILE A 48 -2.705 -0.924 9.736 1.00 0.00 C ATOM 804 CG1 ILE A 48 -3.914 -1.766 9.224 1.00 0.00 C ATOM 805 CG2 ILE A 48 -2.897 0.574 9.363 1.00 0.00 C ATOM 806 CD1 ILE A 48 -5.261 -1.521 9.929 1.00 0.00 C ATOM 0 H ILE A 48 -1.445 -3.057 10.618 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.409 -1.436 8.132 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.681 -1.018 10.822 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.043 -1.568 8.160 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.663 -2.822 9.323 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.861 0.921 9.734 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.101 1.166 9.814 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.864 0.686 8.279 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -6.024 -2.162 9.488 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.163 -1.750 10.990 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.550 -0.477 9.809 1.00 0.00 H new ATOM 818 N THR A 49 0.677 -0.096 8.666 1.00 0.00 N ATOM 819 CA THR A 49 1.784 0.868 8.929 1.00 0.00 C ATOM 820 C THR A 49 1.264 2.298 8.609 1.00 0.00 C ATOM 821 O THR A 49 1.073 2.661 7.444 1.00 0.00 O ATOM 822 CB THR A 49 3.097 0.505 8.170 1.00 0.00 C ATOM 823 OG1 THR A 49 3.505 -0.825 8.469 1.00 0.00 O ATOM 824 CG2 THR A 49 4.298 1.395 8.550 1.00 0.00 C ATOM 0 H THR A 49 0.568 -0.343 7.682 1.00 0.00 H new ATOM 0 HA THR A 49 2.068 0.819 9.980 1.00 0.00 H new ATOM 0 HB THR A 49 2.848 0.644 7.118 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.329 -1.032 7.981 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.175 1.084 7.983 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.067 2.435 8.320 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.501 1.296 9.616 1.00 0.00 H new ATOM 832 N ILE A 50 1.029 3.100 9.657 1.00 0.00 N ATOM 833 CA ILE A 50 0.584 4.513 9.511 1.00 0.00 C ATOM 834 C ILE A 50 1.791 5.462 9.796 1.00 0.00 C ATOM 835 O ILE A 50 2.284 5.529 10.928 1.00 0.00 O ATOM 836 CB ILE A 50 -0.725 4.757 10.342 1.00 0.00 C ATOM 837 CG1 ILE A 50 -1.466 6.033 9.867 1.00 0.00 C ATOM 838 CG2 ILE A 50 -0.531 4.767 11.881 1.00 0.00 C ATOM 839 CD1 ILE A 50 -2.927 6.131 10.341 1.00 0.00 C ATOM 0 H ILE A 50 1.138 2.801 10.626 1.00 0.00 H new ATOM 0 HA ILE A 50 0.284 4.748 8.490 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.347 3.885 10.140 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.922 6.908 10.222 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.447 6.066 8.778 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.490 4.942 12.368 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.131 3.806 12.204 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.165 5.560 12.155 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.371 7.053 9.965 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.490 5.277 9.964 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.957 6.133 11.431 1.00 0.00 H new ATOM 851 N SER A 51 2.291 6.177 8.770 1.00 0.00 N ATOM 852 CA SER A 51 3.421 7.133 8.952 1.00 0.00 C ATOM 853 C SER A 51 2.895 8.593 9.113 1.00 0.00 C ATOM 854 O SER A 51 2.372 9.193 8.169 1.00 0.00 O ATOM 855 CB SER A 51 4.462 6.933 7.831 1.00 0.00 C ATOM 856 OG SER A 51 5.660 7.653 8.121 1.00 0.00 O ATOM 0 H SER A 51 1.941 6.118 7.814 1.00 0.00 H new ATOM 0 HA SER A 51 3.946 6.927 9.884 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.687 5.872 7.722 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.050 7.271 6.880 1.00 0.00 H new ATOM 0 HG SER A 51 6.309 7.513 7.400 1.00 0.00 H new ATOM 862 N ALA A 52 2.991 9.128 10.342 1.00 0.00 N ATOM 863 CA ALA A 52 2.372 10.426 10.716 1.00 0.00 C ATOM 864 C ALA A 52 3.351 11.645 10.749 1.00 0.00 C ATOM 865 O ALA A 52 4.580 11.511 10.763 1.00 0.00 O ATOM 866 CB ALA A 52 1.691 10.153 12.074 1.00 0.00 C ATOM 0 H ALA A 52 3.496 8.680 11.107 1.00 0.00 H new ATOM 0 HA ALA A 52 1.664 10.745 9.951 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.206 11.063 12.427 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.946 9.367 11.956 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.440 9.836 12.800 1.00 0.00 H new ATOM 872 N GLU A 53 2.770 12.853 10.809 1.00 0.00 N ATOM 873 CA GLU A 53 3.532 14.133 10.934 1.00 0.00 C ATOM 874 C GLU A 53 4.279 14.332 12.295 1.00 0.00 C ATOM 875 O GLU A 53 5.473 14.641 12.293 1.00 0.00 O ATOM 876 CB GLU A 53 2.541 15.294 10.605 1.00 0.00 C ATOM 877 CG GLU A 53 2.222 15.416 9.092 1.00 0.00 C ATOM 878 CD GLU A 53 0.977 16.197 8.711 1.00 0.00 C ATOM 879 OE1 GLU A 53 -0.118 15.596 8.679 1.00 0.00 O ATOM 880 OE2 GLU A 53 1.094 17.394 8.375 1.00 0.00 O ATOM 0 H GLU A 53 1.759 12.984 10.773 1.00 0.00 H new ATOM 0 HA GLU A 53 4.357 14.115 10.222 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.612 15.137 11.154 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.964 16.235 10.957 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.077 15.882 8.602 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.129 14.410 8.683 1.00 0.00 H new ATOM 887 N ASN A 54 3.588 14.150 13.436 1.00 0.00 N ATOM 888 CA ASN A 54 4.176 14.347 14.795 1.00 0.00 C ATOM 889 C ASN A 54 3.985 13.085 15.706 1.00 0.00 C ATOM 890 O ASN A 54 3.107 12.239 15.493 1.00 0.00 O ATOM 891 CB ASN A 54 3.537 15.614 15.442 1.00 0.00 C ATOM 892 CG ASN A 54 3.944 16.991 14.893 1.00 0.00 C ATOM 893 OD1 ASN A 54 4.752 17.152 13.986 1.00 0.00 O ATOM 894 ND2 ASN A 54 3.407 18.051 15.444 1.00 0.00 N ATOM 0 H ASN A 54 2.609 13.863 13.453 1.00 0.00 H new ATOM 0 HA ASN A 54 5.252 14.491 14.695 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.454 15.525 15.350 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.769 15.598 16.507 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.664 18.982 15.116 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.731 17.945 16.201 1.00 0.00 H new ATOM 901 N ASP A 55 4.795 12.992 16.777 1.00 0.00 N ATOM 902 CA ASP A 55 4.601 12.012 17.891 1.00 0.00 C ATOM 903 C ASP A 55 3.213 12.043 18.637 1.00 0.00 C ATOM 904 O ASP A 55 2.632 10.983 18.890 1.00 0.00 O ATOM 905 CB ASP A 55 5.827 12.112 18.842 1.00 0.00 C ATOM 906 CG ASP A 55 6.091 13.462 19.523 1.00 0.00 C ATOM 907 OD1 ASP A 55 6.402 14.440 18.807 1.00 0.00 O ATOM 908 OD2 ASP A 55 5.979 13.546 20.763 1.00 0.00 O ATOM 0 H ASP A 55 5.610 13.592 16.906 1.00 0.00 H new ATOM 0 HA ASP A 55 4.551 11.023 17.435 1.00 0.00 H new ATOM 0 HB2 ASP A 55 5.709 11.360 19.622 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.717 11.844 18.272 1.00 0.00 H new ATOM 913 N GLU A 56 2.642 13.234 18.907 1.00 0.00 N ATOM 914 CA GLU A 56 1.203 13.410 19.285 1.00 0.00 C ATOM 915 C GLU A 56 0.136 12.740 18.337 1.00 0.00 C ATOM 916 O GLU A 56 -0.763 12.040 18.813 1.00 0.00 O ATOM 917 CB GLU A 56 0.961 14.932 19.533 1.00 0.00 C ATOM 918 CG GLU A 56 0.921 15.847 18.274 1.00 0.00 C ATOM 919 CD GLU A 56 1.120 17.338 18.490 1.00 0.00 C ATOM 920 OE1 GLU A 56 0.344 17.958 19.245 1.00 0.00 O ATOM 921 OE2 GLU A 56 2.038 17.900 17.856 1.00 0.00 O ATOM 0 H GLU A 56 3.159 14.113 18.872 1.00 0.00 H new ATOM 0 HA GLU A 56 1.034 12.841 20.199 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.017 15.044 20.066 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.746 15.298 20.195 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.688 15.501 17.581 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.041 15.703 17.782 1.00 0.00 H new ATOM 928 N GLN A 57 0.288 12.901 17.004 1.00 0.00 N ATOM 929 CA GLN A 57 -0.485 12.137 15.981 1.00 0.00 C ATOM 930 C GLN A 57 -0.258 10.591 16.046 1.00 0.00 C ATOM 931 O GLN A 57 -1.229 9.847 16.192 1.00 0.00 O ATOM 932 CB GLN A 57 -0.177 12.686 14.554 1.00 0.00 C ATOM 933 CG GLN A 57 -0.565 14.154 14.239 1.00 0.00 C ATOM 934 CD GLN A 57 -2.071 14.408 14.131 1.00 0.00 C ATOM 935 OE1 GLN A 57 -2.744 13.946 13.216 1.00 0.00 O ATOM 936 NE2 GLN A 57 -2.650 15.153 15.039 1.00 0.00 N ATOM 0 H GLN A 57 0.949 13.564 16.599 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.539 12.290 16.211 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.893 12.579 14.379 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.684 12.045 13.833 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -0.156 14.799 15.017 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -0.093 14.447 13.302 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.101 15.543 15.805 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.650 15.343 14.980 1.00 0.00 H new ATOM 945 N ALA A 58 1.003 10.111 15.999 1.00 0.00 N ATOM 946 CA ALA A 58 1.350 8.689 16.269 1.00 0.00 C ATOM 947 C ALA A 58 0.767 8.032 17.571 1.00 0.00 C ATOM 948 O ALA A 58 0.281 6.902 17.498 1.00 0.00 O ATOM 949 CB ALA A 58 2.888 8.621 16.225 1.00 0.00 C ATOM 0 H ALA A 58 1.811 10.692 15.774 1.00 0.00 H new ATOM 0 HA ALA A 58 0.864 8.081 15.506 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.213 7.598 16.416 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.238 8.935 15.242 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.303 9.282 16.986 1.00 0.00 H new ATOM 955 N LYS A 59 0.761 8.738 18.720 1.00 0.00 N ATOM 956 CA LYS A 59 0.056 8.307 19.963 1.00 0.00 C ATOM 957 C LYS A 59 -1.484 8.040 19.811 1.00 0.00 C ATOM 958 O LYS A 59 -1.930 6.932 20.127 1.00 0.00 O ATOM 959 CB LYS A 59 0.448 9.336 21.068 1.00 0.00 C ATOM 960 CG LYS A 59 -0.235 9.175 22.456 1.00 0.00 C ATOM 961 CD LYS A 59 -1.224 10.327 22.756 1.00 0.00 C ATOM 962 CE LYS A 59 -2.147 10.107 23.972 1.00 0.00 C ATOM 963 NZ LYS A 59 -3.288 9.222 23.607 1.00 0.00 N ATOM 0 H LYS A 59 1.246 9.630 18.821 1.00 0.00 H new ATOM 0 HA LYS A 59 0.386 7.308 20.247 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.527 9.283 21.213 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.225 10.336 20.695 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.766 8.224 22.490 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.528 9.142 23.233 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.653 11.241 22.916 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.845 10.489 21.875 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.581 9.662 24.790 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.523 11.066 24.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.900 9.084 24.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.837 9.662 22.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.925 8.301 23.288 1.00 0.00 H new ATOM 977 N GLU A 60 -2.288 9.006 19.327 1.00 0.00 N ATOM 978 CA GLU A 60 -3.736 8.760 19.032 1.00 0.00 C ATOM 979 C GLU A 60 -4.037 7.799 17.830 1.00 0.00 C ATOM 980 O GLU A 60 -4.980 7.008 17.915 1.00 0.00 O ATOM 981 CB GLU A 60 -4.508 10.101 18.913 1.00 0.00 C ATOM 982 CG GLU A 60 -4.709 10.844 20.259 1.00 0.00 C ATOM 983 CD GLU A 60 -5.659 12.024 20.196 1.00 0.00 C ATOM 984 OE1 GLU A 60 -6.887 11.801 20.184 1.00 0.00 O ATOM 985 OE2 GLU A 60 -5.183 13.177 20.195 1.00 0.00 O ATOM 0 H GLU A 60 -1.976 9.957 19.130 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.106 8.206 19.894 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.971 10.756 18.227 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.485 9.906 18.470 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.081 10.134 20.998 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.739 11.194 20.613 1.00 0.00 H new ATOM 992 N LEU A 61 -3.246 7.815 16.741 1.00 0.00 N ATOM 993 CA LEU A 61 -3.357 6.823 15.629 1.00 0.00 C ATOM 994 C LEU A 61 -3.018 5.339 16.013 1.00 0.00 C ATOM 995 O LEU A 61 -3.783 4.441 15.648 1.00 0.00 O ATOM 996 CB LEU A 61 -2.534 7.330 14.414 1.00 0.00 C ATOM 997 CG LEU A 61 -2.971 8.675 13.766 1.00 0.00 C ATOM 998 CD1 LEU A 61 -1.887 9.152 12.792 1.00 0.00 C ATOM 999 CD2 LEU A 61 -4.335 8.599 13.056 1.00 0.00 C ATOM 0 H LEU A 61 -2.512 8.508 16.597 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.413 6.765 15.364 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.495 7.429 14.728 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.562 6.560 13.643 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.092 9.394 14.576 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.194 10.094 12.339 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.951 9.297 13.332 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.744 8.404 12.012 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.577 9.572 12.627 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.291 7.853 12.262 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.104 8.318 13.775 1.00 0.00 H new ATOM 1011 N LEU A 62 -1.950 5.075 16.801 1.00 0.00 N ATOM 1012 CA LEU A 62 -1.801 3.823 17.618 1.00 0.00 C ATOM 1013 C LEU A 62 -3.090 3.353 18.379 1.00 0.00 C ATOM 1014 O LEU A 62 -3.550 2.227 18.168 1.00 0.00 O ATOM 1015 CB LEU A 62 -0.572 4.053 18.563 1.00 0.00 C ATOM 1016 CG LEU A 62 -0.314 3.075 19.744 1.00 0.00 C ATOM 1017 CD1 LEU A 62 -0.050 1.634 19.292 1.00 0.00 C ATOM 1018 CD2 LEU A 62 0.857 3.566 20.610 1.00 0.00 C ATOM 0 H LEU A 62 -1.162 5.716 16.896 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.632 2.982 16.945 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.322 4.054 17.940 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.668 5.054 18.984 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.232 3.065 20.331 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.122 1.005 20.165 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.913 1.262 18.741 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.829 1.610 18.648 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.021 2.867 21.431 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.759 3.628 20.001 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.623 4.551 21.014 1.00 0.00 H new ATOM 1030 N GLU A 63 -3.661 4.219 19.233 1.00 0.00 N ATOM 1031 CA GLU A 63 -4.906 3.926 19.999 1.00 0.00 C ATOM 1032 C GLU A 63 -6.186 3.712 19.122 1.00 0.00 C ATOM 1033 O GLU A 63 -6.885 2.714 19.315 1.00 0.00 O ATOM 1034 CB GLU A 63 -5.067 5.027 21.084 1.00 0.00 C ATOM 1035 CG GLU A 63 -4.010 4.960 22.223 1.00 0.00 C ATOM 1036 CD GLU A 63 -4.016 6.112 23.213 1.00 0.00 C ATOM 1037 OE1 GLU A 63 -5.082 6.521 23.712 1.00 0.00 O ATOM 1038 OE2 GLU A 63 -2.922 6.656 23.484 1.00 0.00 O ATOM 0 H GLU A 63 -3.279 5.146 19.419 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.797 2.952 20.475 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.007 6.004 20.605 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.062 4.947 21.522 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.160 4.033 22.776 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.021 4.904 21.769 1.00 0.00 H new ATOM 1045 N LEU A 64 -6.463 4.581 18.129 1.00 0.00 N ATOM 1046 CA LEU A 64 -7.499 4.345 17.080 1.00 0.00 C ATOM 1047 C LEU A 64 -7.365 3.010 16.264 1.00 0.00 C ATOM 1048 O LEU A 64 -8.361 2.290 16.142 1.00 0.00 O ATOM 1049 CB LEU A 64 -7.540 5.630 16.204 1.00 0.00 C ATOM 1050 CG LEU A 64 -8.558 5.685 15.033 1.00 0.00 C ATOM 1051 CD1 LEU A 64 -10.024 5.622 15.498 1.00 0.00 C ATOM 1052 CD2 LEU A 64 -8.337 6.961 14.203 1.00 0.00 C ATOM 0 H LEU A 64 -5.978 5.472 18.024 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.460 4.174 17.565 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.742 6.475 16.862 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.544 5.781 15.787 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.378 4.799 14.425 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.683 5.665 14.631 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.195 4.691 16.038 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.234 6.466 16.155 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.055 6.991 13.384 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.474 7.836 14.838 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.325 6.961 13.798 1.00 0.00 H new ATOM 1064 N ILE A 65 -6.170 2.648 15.746 1.00 0.00 N ATOM 1065 CA ILE A 65 -5.936 1.313 15.099 1.00 0.00 C ATOM 1066 C ILE A 65 -6.075 0.108 16.106 1.00 0.00 C ATOM 1067 O ILE A 65 -6.779 -0.851 15.779 1.00 0.00 O ATOM 1068 CB ILE A 65 -4.609 1.279 14.257 1.00 0.00 C ATOM 1069 CG1 ILE A 65 -4.548 2.342 13.121 1.00 0.00 C ATOM 1070 CG2 ILE A 65 -4.368 -0.117 13.618 1.00 0.00 C ATOM 1071 CD1 ILE A 65 -3.133 2.577 12.562 1.00 0.00 C ATOM 0 H ILE A 65 -5.348 3.251 15.757 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.744 1.174 14.380 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.830 1.512 14.983 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.202 2.028 12.307 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.940 3.286 13.499 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.441 -0.100 13.044 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.294 -0.869 14.404 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.199 -0.363 12.957 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.173 3.330 11.775 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.478 2.922 13.362 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.744 1.645 12.152 1.00 0.00 H new ATOM 1083 N ALA A 66 -5.458 0.136 17.307 1.00 0.00 N ATOM 1084 CA ALA A 66 -5.754 -0.852 18.385 1.00 0.00 C ATOM 1085 C ALA A 66 -7.268 -1.011 18.761 1.00 0.00 C ATOM 1086 O ALA A 66 -7.780 -2.130 18.707 1.00 0.00 O ATOM 1087 CB ALA A 66 -4.867 -0.496 19.593 1.00 0.00 C ATOM 0 H ALA A 66 -4.752 0.827 17.561 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.514 -1.846 18.007 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.057 -1.200 20.404 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -3.818 -0.551 19.303 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.098 0.515 19.929 1.00 0.00 H new ATOM 1093 N ARG A 67 -7.996 0.091 19.033 1.00 0.00 N ATOM 1094 CA ARG A 67 -9.483 0.092 19.169 1.00 0.00 C ATOM 1095 C ARG A 67 -10.286 -0.492 17.950 1.00 0.00 C ATOM 1096 O ARG A 67 -11.165 -1.329 18.169 1.00 0.00 O ATOM 1097 CB ARG A 67 -9.888 1.549 19.539 1.00 0.00 C ATOM 1098 CG ARG A 67 -11.339 1.795 20.016 1.00 0.00 C ATOM 1099 CD ARG A 67 -11.664 1.205 21.405 1.00 0.00 C ATOM 1100 NE ARG A 67 -12.985 1.698 21.894 1.00 0.00 N ATOM 1101 CZ ARG A 67 -13.185 2.789 22.639 1.00 0.00 C ATOM 1102 NH1 ARG A 67 -12.226 3.594 23.026 1.00 0.00 N ATOM 1103 NH2 ARG A 67 -14.404 3.074 22.999 1.00 0.00 N ATOM 0 H ARG A 67 -7.577 1.011 19.166 1.00 0.00 H new ATOM 0 HA ARG A 67 -9.764 -0.611 19.953 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -9.214 1.895 20.323 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.711 2.178 18.666 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -11.523 2.869 20.039 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -12.026 1.369 19.284 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -11.675 0.116 21.349 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.883 1.480 22.114 1.00 0.00 H new ATOM 0 HE ARG A 67 -13.808 1.154 21.637 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -11.260 3.403 22.758 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -12.445 4.412 23.595 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -15.175 2.471 22.712 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -14.588 3.900 23.568 1.00 0.00 H new ATOM 1117 N LEU A 68 -9.970 -0.112 16.693 1.00 0.00 N ATOM 1118 CA LEU A 68 -10.454 -0.809 15.461 1.00 0.00 C ATOM 1119 C LEU A 68 -10.237 -2.363 15.428 1.00 0.00 C ATOM 1120 O LEU A 68 -11.200 -3.119 15.269 1.00 0.00 O ATOM 1121 CB LEU A 68 -9.791 -0.078 14.250 1.00 0.00 C ATOM 1122 CG LEU A 68 -10.064 -0.635 12.827 1.00 0.00 C ATOM 1123 CD1 LEU A 68 -11.536 -0.496 12.418 1.00 0.00 C ATOM 1124 CD2 LEU A 68 -9.162 0.056 11.790 1.00 0.00 C ATOM 0 H LEU A 68 -9.370 0.689 16.494 1.00 0.00 H new ATOM 0 HA LEU A 68 -11.541 -0.740 15.427 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -10.115 0.963 14.270 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.713 -0.079 14.408 1.00 0.00 H new ATOM 0 HG LEU A 68 -9.830 -1.699 12.855 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.675 -0.900 11.415 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -12.162 -1.046 13.121 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -11.818 0.557 12.427 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -9.370 -0.349 10.800 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -9.360 1.128 11.792 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -8.116 -0.120 12.042 1.00 0.00 H new ATOM 1136 N LEU A 69 -8.985 -2.823 15.568 1.00 0.00 N ATOM 1137 CA LEU A 69 -8.619 -4.266 15.478 1.00 0.00 C ATOM 1138 C LEU A 69 -9.110 -5.138 16.690 1.00 0.00 C ATOM 1139 O LEU A 69 -9.642 -6.232 16.477 1.00 0.00 O ATOM 1140 CB LEU A 69 -7.089 -4.354 15.185 1.00 0.00 C ATOM 1141 CG LEU A 69 -6.560 -3.627 13.906 1.00 0.00 C ATOM 1142 CD1 LEU A 69 -5.027 -3.570 13.877 1.00 0.00 C ATOM 1143 CD2 LEU A 69 -7.086 -4.233 12.594 1.00 0.00 C ATOM 0 H LEU A 69 -8.188 -2.213 15.748 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.162 -4.724 14.651 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.557 -3.950 16.047 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.820 -5.408 15.109 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.953 -2.613 13.973 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.699 -3.057 12.973 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.666 -3.029 14.752 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.625 -4.583 13.886 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.678 -3.679 11.748 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.779 -5.277 12.526 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.174 -4.173 12.576 1.00 0.00 H new ATOM 1155 N GLN A 70 -9.030 -4.638 17.942 1.00 0.00 N ATOM 1156 CA GLN A 70 -9.769 -5.205 19.114 1.00 0.00 C ATOM 1157 C GLN A 70 -11.332 -5.294 18.954 1.00 0.00 C ATOM 1158 O GLN A 70 -11.904 -6.344 19.256 1.00 0.00 O ATOM 1159 CB GLN A 70 -9.393 -4.384 20.381 1.00 0.00 C ATOM 1160 CG GLN A 70 -7.920 -4.502 20.860 1.00 0.00 C ATOM 1161 CD GLN A 70 -7.510 -3.495 21.946 1.00 0.00 C ATOM 1162 OE1 GLN A 70 -8.012 -2.380 22.059 1.00 0.00 O ATOM 1163 NE2 GLN A 70 -6.546 -3.838 22.764 1.00 0.00 N ATOM 0 H GLN A 70 -8.454 -3.830 18.179 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.453 -6.245 19.200 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.607 -3.333 20.185 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.045 -4.695 21.197 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -7.756 -5.510 21.240 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -7.262 -4.375 20.000 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -6.116 -4.760 22.687 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -6.226 -3.184 23.478 1.00 0.00 H new ATOM 1172 N LYS A 71 -12.009 -4.235 18.456 1.00 0.00 N ATOM 1173 CA LYS A 71 -13.443 -4.294 18.031 1.00 0.00 C ATOM 1174 C LYS A 71 -13.791 -5.363 16.932 1.00 0.00 C ATOM 1175 O LYS A 71 -14.807 -6.048 17.067 1.00 0.00 O ATOM 1176 CB LYS A 71 -13.836 -2.849 17.607 1.00 0.00 C ATOM 1177 CG LYS A 71 -15.325 -2.598 17.251 1.00 0.00 C ATOM 1178 CD LYS A 71 -15.573 -1.306 16.437 1.00 0.00 C ATOM 1179 CE LYS A 71 -15.143 -1.423 14.958 1.00 0.00 C ATOM 1180 NZ LYS A 71 -15.528 -0.213 14.184 1.00 0.00 N ATOM 0 H LYS A 71 -11.587 -3.315 18.334 1.00 0.00 H new ATOM 0 HA LYS A 71 -14.037 -4.647 18.874 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.563 -2.173 18.417 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -13.230 -2.573 16.744 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -15.700 -3.450 16.683 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -15.904 -2.550 18.173 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -16.633 -1.055 16.481 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -15.031 -0.483 16.902 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -14.064 -1.565 14.901 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -15.604 -2.304 14.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.954 -0.158 13.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -16.535 -0.270 13.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -15.365 0.636 14.762 1.00 0.00 H new ATOM 1194 N LEU A 72 -12.980 -5.505 15.865 1.00 0.00 N ATOM 1195 CA LEU A 72 -13.153 -6.575 14.837 1.00 0.00 C ATOM 1196 C LEU A 72 -13.004 -8.046 15.365 1.00 0.00 C ATOM 1197 O LEU A 72 -13.897 -8.861 15.127 1.00 0.00 O ATOM 1198 CB LEU A 72 -12.172 -6.286 13.662 1.00 0.00 C ATOM 1199 CG LEU A 72 -12.508 -5.078 12.745 1.00 0.00 C ATOM 1200 CD1 LEU A 72 -11.251 -4.636 11.978 1.00 0.00 C ATOM 1201 CD2 LEU A 72 -13.641 -5.406 11.757 1.00 0.00 C ATOM 0 H LEU A 72 -12.187 -4.889 15.683 1.00 0.00 H new ATOM 0 HA LEU A 72 -14.190 -6.532 14.504 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -11.178 -6.127 14.081 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -12.116 -7.179 13.039 1.00 0.00 H new ATOM 0 HG LEU A 72 -12.852 -4.264 13.383 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.495 -3.789 11.337 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -10.476 -4.344 12.687 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -10.889 -5.462 11.365 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -13.845 -4.535 11.135 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -13.342 -6.242 11.124 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -14.541 -5.674 12.311 1.00 0.00 H new ATOM 1213 N GLY A 73 -11.897 -8.382 16.053 1.00 0.00 N ATOM 1214 CA GLY A 73 -11.698 -9.721 16.668 1.00 0.00 C ATOM 1215 C GLY A 73 -10.273 -10.281 16.494 1.00 0.00 C ATOM 1216 O GLY A 73 -10.067 -11.254 15.764 1.00 0.00 O ATOM 0 H GLY A 73 -11.116 -7.743 16.201 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -11.926 -9.659 17.732 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -12.409 -10.421 16.230 1.00 0.00 H new ATOM 1220 N TYR A 74 -9.295 -9.658 17.167 1.00 0.00 N ATOM 1221 CA TYR A 74 -7.848 -9.928 16.932 1.00 0.00 C ATOM 1222 C TYR A 74 -7.071 -10.035 18.283 1.00 0.00 C ATOM 1223 O TYR A 74 -7.255 -9.217 19.190 1.00 0.00 O ATOM 1224 CB TYR A 74 -7.272 -8.800 16.029 1.00 0.00 C ATOM 1225 CG TYR A 74 -7.550 -8.957 14.523 1.00 0.00 C ATOM 1226 CD1 TYR A 74 -6.696 -9.743 13.741 1.00 0.00 C ATOM 1227 CD2 TYR A 74 -8.658 -8.351 13.923 1.00 0.00 C ATOM 1228 CE1 TYR A 74 -6.948 -9.920 12.384 1.00 0.00 C ATOM 1229 CE2 TYR A 74 -8.925 -8.549 12.570 1.00 0.00 C ATOM 1230 CZ TYR A 74 -8.070 -9.342 11.805 1.00 0.00 C ATOM 1231 OH TYR A 74 -8.350 -9.590 10.490 1.00 0.00 O ATOM 0 H TYR A 74 -9.470 -8.956 17.886 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.730 -10.886 16.426 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.683 -7.846 16.360 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.194 -8.752 16.180 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.836 -10.215 14.193 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -9.311 -7.725 14.512 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.271 -10.507 11.781 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.791 -8.090 12.115 1.00 0.00 H new ATOM 0 HH TYR A 74 -9.319 -9.553 10.349 1.00 0.00 H new ATOM 1241 N LYS A 75 -6.190 -11.048 18.404 1.00 0.00 N ATOM 1242 CA LYS A 75 -5.491 -11.375 19.686 1.00 0.00 C ATOM 1243 C LYS A 75 -3.958 -11.043 19.723 1.00 0.00 C ATOM 1244 O LYS A 75 -3.504 -10.441 20.700 1.00 0.00 O ATOM 1245 CB LYS A 75 -5.856 -12.835 20.101 1.00 0.00 C ATOM 1246 CG LYS A 75 -5.075 -13.962 19.388 1.00 0.00 C ATOM 1247 CD LYS A 75 -5.663 -15.379 19.529 1.00 0.00 C ATOM 1248 CE LYS A 75 -4.693 -16.515 19.129 1.00 0.00 C ATOM 1249 NZ LYS A 75 -4.151 -16.357 17.751 1.00 0.00 N ATOM 0 H LYS A 75 -5.937 -11.663 17.631 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.863 -10.694 20.451 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -5.699 -12.935 21.175 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.920 -12.987 19.919 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.012 -13.719 18.327 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.056 -13.972 19.774 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.973 -15.529 20.563 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.560 -15.450 18.914 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.866 -16.546 19.838 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.211 -17.471 19.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.766 -17.266 17.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.912 -16.053 17.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.396 -15.642 17.755 1.00 0.00 H new ATOM 1263 N ASP A 76 -3.153 -11.447 18.715 1.00 0.00 N ATOM 1264 CA ASP A 76 -1.665 -11.352 18.782 1.00 0.00 C ATOM 1265 C ASP A 76 -1.193 -9.937 18.311 1.00 0.00 C ATOM 1266 O ASP A 76 -0.853 -9.743 17.141 1.00 0.00 O ATOM 1267 CB ASP A 76 -1.008 -12.461 17.914 1.00 0.00 C ATOM 1268 CG ASP A 76 -1.330 -13.931 18.163 1.00 0.00 C ATOM 1269 OD1 ASP A 76 -2.424 -14.398 17.780 1.00 0.00 O ATOM 1270 OD2 ASP A 76 -0.427 -14.670 18.603 1.00 0.00 O ATOM 0 H ASP A 76 -3.502 -11.843 17.842 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.353 -11.498 19.816 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -1.260 -12.248 16.875 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.072 -12.347 18.010 1.00 0.00 H new ATOM 1275 N ILE A 77 -1.220 -8.934 19.208 1.00 0.00 N ATOM 1276 CA ILE A 77 -1.083 -7.500 18.803 1.00 0.00 C ATOM 1277 C ILE A 77 0.423 -7.082 18.952 1.00 0.00 C ATOM 1278 O ILE A 77 0.898 -6.762 20.046 1.00 0.00 O ATOM 1279 CB ILE A 77 -2.105 -6.594 19.593 1.00 0.00 C ATOM 1280 CG1 ILE A 77 -3.604 -7.016 19.446 1.00 0.00 C ATOM 1281 CG2 ILE A 77 -1.979 -5.095 19.203 1.00 0.00 C ATOM 1282 CD1 ILE A 77 -4.540 -6.529 20.567 1.00 0.00 C ATOM 0 H ILE A 77 -1.334 -9.075 20.212 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.349 -7.357 17.756 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.822 -6.743 20.635 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.978 -6.639 18.494 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.655 -8.104 19.400 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.701 -4.509 19.771 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.971 -4.744 19.426 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.176 -4.979 18.137 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.555 -6.875 20.370 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -4.200 -6.927 21.523 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.529 -5.440 20.603 1.00 0.00 H new ATOM 1294 N ASN A 78 1.167 -7.088 17.834 1.00 0.00 N ATOM 1295 CA ASN A 78 2.637 -6.864 17.813 1.00 0.00 C ATOM 1296 C ASN A 78 2.946 -5.426 17.283 1.00 0.00 C ATOM 1297 O ASN A 78 2.889 -5.144 16.081 1.00 0.00 O ATOM 1298 CB ASN A 78 3.309 -7.980 16.960 1.00 0.00 C ATOM 1299 CG ASN A 78 3.233 -9.411 17.515 1.00 0.00 C ATOM 1300 OD1 ASN A 78 2.485 -10.260 17.045 1.00 0.00 O ATOM 1301 ND2 ASN A 78 4.004 -9.738 18.525 1.00 0.00 N ATOM 0 H ASN A 78 0.770 -7.249 16.908 1.00 0.00 H new ATOM 0 HA ASN A 78 3.051 -6.924 18.819 1.00 0.00 H new ATOM 0 HB2 ASN A 78 2.852 -7.974 15.970 1.00 0.00 H new ATOM 0 HB3 ASN A 78 4.360 -7.721 16.828 1.00 0.00 H new ATOM 0 HD21 ASN A 78 3.974 -10.684 18.904 1.00 0.00 H new ATOM 0 HD22 ASN A 78 4.634 -9.046 18.931 1.00 0.00 H new ATOM 1308 N VAL A 79 3.267 -4.510 18.211 1.00 0.00 N ATOM 1309 CA VAL A 79 3.441 -3.057 17.908 1.00 0.00 C ATOM 1310 C VAL A 79 4.961 -2.727 17.716 1.00 0.00 C ATOM 1311 O VAL A 79 5.785 -3.019 18.589 1.00 0.00 O ATOM 1312 CB VAL A 79 2.780 -2.194 19.047 1.00 0.00 C ATOM 1313 CG1 VAL A 79 2.941 -0.668 18.842 1.00 0.00 C ATOM 1314 CG2 VAL A 79 1.268 -2.463 19.248 1.00 0.00 C ATOM 0 H VAL A 79 3.416 -4.742 19.193 1.00 0.00 H new ATOM 0 HA VAL A 79 2.937 -2.809 16.974 1.00 0.00 H new ATOM 0 HB VAL A 79 3.331 -2.515 19.931 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.461 -0.138 19.665 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.001 -0.414 18.816 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.475 -0.376 17.901 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.889 -1.829 20.050 1.00 0.00 H new ATOM 0 HG22 VAL A 79 0.733 -2.239 18.325 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.116 -3.510 19.511 1.00 0.00 H new ATOM 1324 N ARG A 80 5.317 -2.039 16.614 1.00 0.00 N ATOM 1325 CA ARG A 80 6.632 -1.338 16.498 1.00 0.00 C ATOM 1326 C ARG A 80 6.420 0.117 15.971 1.00 0.00 C ATOM 1327 O ARG A 80 5.760 0.336 14.948 1.00 0.00 O ATOM 1328 CB ARG A 80 7.636 -2.121 15.605 1.00 0.00 C ATOM 1329 CG ARG A 80 8.308 -3.335 16.290 1.00 0.00 C ATOM 1330 CD ARG A 80 9.384 -3.986 15.400 1.00 0.00 C ATOM 1331 NE ARG A 80 10.090 -5.079 16.128 1.00 0.00 N ATOM 1332 CZ ARG A 80 11.232 -4.958 16.809 1.00 0.00 C ATOM 1333 NH1 ARG A 80 11.883 -3.830 16.944 1.00 0.00 N ATOM 1334 NH2 ARG A 80 11.725 -6.022 17.375 1.00 0.00 N ATOM 0 H ARG A 80 4.723 -1.948 15.790 1.00 0.00 H new ATOM 0 HA ARG A 80 7.074 -1.289 17.493 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.113 -2.469 14.714 1.00 0.00 H new ATOM 0 HB3 ARG A 80 8.414 -1.435 15.270 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.761 -3.015 17.229 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.548 -4.076 16.539 1.00 0.00 H new ATOM 0 HD2 ARG A 80 8.922 -4.385 14.497 1.00 0.00 H new ATOM 0 HD3 ARG A 80 10.104 -3.231 15.083 1.00 0.00 H new ATOM 0 HE ARG A 80 9.661 -6.004 16.104 1.00 0.00 H new ATOM 0 HH11 ARG A 80 11.521 -2.978 16.515 1.00 0.00 H new ATOM 0 HH12 ARG A 80 12.752 -3.803 17.478 1.00 0.00 H new ATOM 0 HH21 ARG A 80 11.240 -6.915 17.291 1.00 0.00 H new ATOM 0 HH22 ARG A 80 12.596 -5.962 17.902 1.00 0.00 H new ATOM 1348 N VAL A 81 7.014 1.103 16.668 1.00 0.00 N ATOM 1349 CA VAL A 81 6.922 2.547 16.298 1.00 0.00 C ATOM 1350 C VAL A 81 8.366 3.042 15.955 1.00 0.00 C ATOM 1351 O VAL A 81 9.185 3.231 16.861 1.00 0.00 O ATOM 1352 CB VAL A 81 6.227 3.383 17.432 1.00 0.00 C ATOM 1353 CG1 VAL A 81 6.146 4.893 17.100 1.00 0.00 C ATOM 1354 CG2 VAL A 81 4.794 2.903 17.772 1.00 0.00 C ATOM 0 H VAL A 81 7.573 0.932 17.504 1.00 0.00 H new ATOM 0 HA VAL A 81 6.289 2.685 15.422 1.00 0.00 H new ATOM 0 HB VAL A 81 6.872 3.222 18.296 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.656 5.420 17.919 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.152 5.290 16.963 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.573 5.034 16.184 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.379 3.528 18.563 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.166 2.976 16.884 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.828 1.867 18.108 1.00 0.00 H new ATOM 1364 N ASN A 82 8.675 3.281 14.665 1.00 0.00 N ATOM 1365 CA ASN A 82 9.968 3.913 14.262 1.00 0.00 C ATOM 1366 C ASN A 82 9.780 5.458 14.101 1.00 0.00 C ATOM 1367 O ASN A 82 9.480 5.959 13.013 1.00 0.00 O ATOM 1368 CB ASN A 82 10.512 3.174 13.007 1.00 0.00 C ATOM 1369 CG ASN A 82 11.974 3.497 12.682 1.00 0.00 C ATOM 1370 OD1 ASN A 82 12.885 3.146 13.424 1.00 0.00 O ATOM 1371 ND2 ASN A 82 12.260 4.166 11.591 1.00 0.00 N ATOM 0 H ASN A 82 8.060 3.052 13.884 1.00 0.00 H new ATOM 0 HA ASN A 82 10.732 3.806 15.032 1.00 0.00 H new ATOM 0 HB2 ASN A 82 10.413 2.099 13.159 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.893 3.433 12.148 1.00 0.00 H new ATOM 0 HD21 ASN A 82 13.230 4.388 11.369 1.00 0.00 H new ATOM 0 HD22 ASN A 82 11.512 4.464 10.965 1.00 0.00 H new ATOM 1378 N GLY A 83 9.904 6.207 15.215 1.00 0.00 N ATOM 1379 CA GLY A 83 9.606 7.667 15.239 1.00 0.00 C ATOM 1380 C GLY A 83 8.103 8.002 15.138 1.00 0.00 C ATOM 1381 O GLY A 83 7.379 7.932 16.134 1.00 0.00 O ATOM 0 H GLY A 83 10.208 5.832 16.113 1.00 0.00 H new ATOM 0 HA2 GLY A 83 10.002 8.093 16.161 1.00 0.00 H new ATOM 0 HA3 GLY A 83 10.131 8.148 14.414 1.00 0.00 H new ATOM 1385 N THR A 84 7.650 8.320 13.920 1.00 0.00 N ATOM 1386 CA THR A 84 6.190 8.398 13.587 1.00 0.00 C ATOM 1387 C THR A 84 5.639 7.232 12.677 1.00 0.00 C ATOM 1388 O THR A 84 4.446 7.241 12.353 1.00 0.00 O ATOM 1389 CB THR A 84 5.821 9.795 13.000 1.00 0.00 C ATOM 1390 OG1 THR A 84 6.364 9.983 11.697 1.00 0.00 O ATOM 1391 CG2 THR A 84 6.206 11.021 13.844 1.00 0.00 C ATOM 0 H THR A 84 8.263 8.532 13.133 1.00 0.00 H new ATOM 0 HA THR A 84 5.683 8.261 14.542 1.00 0.00 H new ATOM 0 HB THR A 84 4.732 9.753 12.987 1.00 0.00 H new ATOM 0 HG1 THR A 84 5.649 10.240 11.078 1.00 0.00 H new ATOM 0 HG21 THR A 84 5.896 11.930 13.328 1.00 0.00 H new ATOM 0 HG22 THR A 84 5.709 10.966 14.813 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.286 11.037 13.990 1.00 0.00 H new ATOM 1399 N GLU A 85 6.453 6.225 12.284 1.00 0.00 N ATOM 1400 CA GLU A 85 6.011 5.037 11.500 1.00 0.00 C ATOM 1401 C GLU A 85 5.410 3.953 12.452 1.00 0.00 C ATOM 1402 O GLU A 85 6.135 3.161 13.065 1.00 0.00 O ATOM 1403 CB GLU A 85 7.226 4.455 10.729 1.00 0.00 C ATOM 1404 CG GLU A 85 7.944 5.338 9.678 1.00 0.00 C ATOM 1405 CD GLU A 85 9.237 4.702 9.192 1.00 0.00 C ATOM 1406 OE1 GLU A 85 10.286 4.905 9.838 1.00 0.00 O ATOM 1407 OE2 GLU A 85 9.205 3.984 8.172 1.00 0.00 O ATOM 0 H GLU A 85 7.449 6.210 12.503 1.00 0.00 H new ATOM 0 HA GLU A 85 5.240 5.338 10.791 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.969 4.152 11.467 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.891 3.549 10.224 1.00 0.00 H new ATOM 0 HG2 GLU A 85 7.280 5.505 8.830 1.00 0.00 H new ATOM 0 HG3 GLU A 85 8.160 6.315 10.111 1.00 0.00 H new ATOM 1414 N VAL A 86 4.078 3.935 12.590 1.00 0.00 N ATOM 1415 CA VAL A 86 3.372 3.089 13.597 1.00 0.00 C ATOM 1416 C VAL A 86 2.848 1.807 12.877 1.00 0.00 C ATOM 1417 O VAL A 86 1.806 1.860 12.214 1.00 0.00 O ATOM 1418 CB VAL A 86 2.247 3.953 14.274 1.00 0.00 C ATOM 1419 CG1 VAL A 86 1.276 3.165 15.180 1.00 0.00 C ATOM 1420 CG2 VAL A 86 2.760 5.146 15.109 1.00 0.00 C ATOM 0 H VAL A 86 3.450 4.498 12.016 1.00 0.00 H new ATOM 0 HA VAL A 86 4.030 2.753 14.399 1.00 0.00 H new ATOM 0 HB VAL A 86 1.717 4.316 13.393 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.537 3.847 15.601 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.770 2.399 14.592 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.835 2.692 15.988 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.913 5.682 15.536 1.00 0.00 H new ATOM 0 HG22 VAL A 86 3.400 4.780 15.912 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.330 5.820 14.469 1.00 0.00 H new ATOM 1430 N LYS A 87 3.543 0.656 13.017 1.00 0.00 N ATOM 1431 CA LYS A 87 3.032 -0.647 12.505 1.00 0.00 C ATOM 1432 C LYS A 87 2.285 -1.465 13.604 1.00 0.00 C ATOM 1433 O LYS A 87 2.886 -1.875 14.604 1.00 0.00 O ATOM 1434 CB LYS A 87 4.102 -1.451 11.719 1.00 0.00 C ATOM 1435 CG LYS A 87 5.298 -2.081 12.483 1.00 0.00 C ATOM 1436 CD LYS A 87 5.828 -3.385 11.842 1.00 0.00 C ATOM 1437 CE LYS A 87 4.936 -4.608 12.148 1.00 0.00 C ATOM 1438 NZ LYS A 87 5.405 -5.810 11.410 1.00 0.00 N ATOM 0 H LYS A 87 4.452 0.597 13.475 1.00 0.00 H new ATOM 0 HA LYS A 87 2.270 -0.416 11.760 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.587 -2.257 11.197 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.513 -0.789 10.957 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.109 -1.355 12.532 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.994 -2.289 13.509 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.896 -3.252 10.762 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.838 -3.578 12.204 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.944 -4.809 13.219 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.905 -4.388 11.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.300 -6.651 12.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.838 -5.931 10.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.406 -5.691 11.153 1.00 0.00 H new ATOM 1452 N ILE A 88 0.976 -1.712 13.402 1.00 0.00 N ATOM 1453 CA ILE A 88 0.159 -2.552 14.332 1.00 0.00 C ATOM 1454 C ILE A 88 -0.087 -3.927 13.628 1.00 0.00 C ATOM 1455 O ILE A 88 -0.998 -4.049 12.803 1.00 0.00 O ATOM 1456 CB ILE A 88 -1.171 -1.835 14.778 1.00 0.00 C ATOM 1457 CG1 ILE A 88 -1.061 -0.337 15.187 1.00 0.00 C ATOM 1458 CG2 ILE A 88 -1.897 -2.609 15.909 1.00 0.00 C ATOM 1459 CD1 ILE A 88 -0.047 -0.014 16.292 1.00 0.00 C ATOM 0 H ILE A 88 0.452 -1.347 12.607 1.00 0.00 H new ATOM 0 HA ILE A 88 0.698 -2.715 15.265 1.00 0.00 H new ATOM 0 HB ILE A 88 -1.752 -1.846 13.856 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.800 0.243 14.301 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.044 0.003 15.513 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.809 -2.079 16.185 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.151 -3.610 15.560 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.243 -2.683 16.778 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.057 1.057 16.493 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.313 -0.556 17.199 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.950 -0.313 15.969 1.00 0.00 H new ATOM 1471 N GLU A 89 0.739 -4.944 13.943 1.00 0.00 N ATOM 1472 CA GLU A 89 0.617 -6.307 13.354 1.00 0.00 C ATOM 1473 C GLU A 89 -0.280 -7.230 14.226 1.00 0.00 C ATOM 1474 O GLU A 89 0.033 -7.497 15.386 1.00 0.00 O ATOM 1475 CB GLU A 89 2.053 -6.837 13.120 1.00 0.00 C ATOM 1476 CG GLU A 89 2.165 -8.274 12.545 1.00 0.00 C ATOM 1477 CD GLU A 89 3.509 -8.638 11.931 1.00 0.00 C ATOM 1478 OE1 GLU A 89 4.554 -8.075 12.329 1.00 0.00 O ATOM 1479 OE2 GLU A 89 3.517 -9.463 10.998 1.00 0.00 O ATOM 0 H GLU A 89 1.507 -4.853 14.608 1.00 0.00 H new ATOM 0 HA GLU A 89 0.102 -6.282 12.394 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.564 -6.155 12.441 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.590 -6.804 14.068 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.948 -8.983 13.344 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.393 -8.403 11.786 1.00 0.00 H new ATOM 1486 N VAL A 90 -1.401 -7.706 13.665 1.00 0.00 N ATOM 1487 CA VAL A 90 -2.436 -8.454 14.435 1.00 0.00 C ATOM 1488 C VAL A 90 -2.744 -9.841 13.798 1.00 0.00 C ATOM 1489 O VAL A 90 -3.112 -9.919 12.621 1.00 0.00 O ATOM 1490 CB VAL A 90 -3.740 -7.620 14.655 1.00 0.00 C ATOM 1491 CG1 VAL A 90 -3.528 -6.399 15.569 1.00 0.00 C ATOM 1492 CG2 VAL A 90 -4.490 -7.179 13.382 1.00 0.00 C ATOM 0 H VAL A 90 -1.625 -7.591 12.677 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.011 -8.635 15.422 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.385 -8.345 15.151 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.470 -5.862 15.682 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.180 -6.732 16.547 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.784 -5.737 15.126 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.376 -6.609 13.661 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.836 -6.557 12.771 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -4.789 -8.059 12.813 1.00 0.00 H new ATOM 1502 N ARG A 91 -2.684 -10.925 14.596 1.00 0.00 N ATOM 1503 CA ARG A 91 -3.173 -12.269 14.153 1.00 0.00 C ATOM 1504 C ARG A 91 -4.562 -12.616 14.791 1.00 0.00 C ATOM 1505 O ARG A 91 -4.858 -12.270 15.943 1.00 0.00 O ATOM 1506 CB ARG A 91 -2.148 -13.409 14.401 1.00 0.00 C ATOM 1507 CG ARG A 91 -0.706 -13.180 13.878 1.00 0.00 C ATOM 1508 CD ARG A 91 0.261 -14.368 14.042 1.00 0.00 C ATOM 1509 NE ARG A 91 0.544 -14.658 15.480 1.00 0.00 N ATOM 1510 CZ ARG A 91 1.690 -15.113 15.978 1.00 0.00 C ATOM 1511 NH1 ARG A 91 2.728 -15.431 15.244 1.00 0.00 N ATOM 1512 NH2 ARG A 91 1.782 -15.256 17.268 1.00 0.00 N ATOM 0 H ARG A 91 -2.308 -10.909 15.544 1.00 0.00 H new ATOM 0 HA ARG A 91 -3.299 -12.197 13.073 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.095 -13.590 15.474 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.535 -14.319 13.943 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -0.760 -12.922 12.820 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.284 -12.318 14.395 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -0.167 -15.253 13.570 1.00 0.00 H new ATOM 0 HD3 ARG A 91 1.195 -14.151 13.524 1.00 0.00 H new ATOM 0 HE ARG A 91 -0.213 -14.491 16.142 1.00 0.00 H new ATOM 0 HH11 ARG A 91 2.684 -15.334 14.230 1.00 0.00 H new ATOM 0 HH12 ARG A 91 3.580 -15.775 15.687 1.00 0.00 H new ATOM 0 HH21 ARG A 91 0.989 -15.021 17.865 1.00 0.00 H new ATOM 0 HH22 ARG A 91 2.647 -15.603 17.682 1.00 0.00 H new ATOM 1526 N VAL A 92 -5.417 -13.336 14.037 1.00 0.00 N ATOM 1527 CA VAL A 92 -6.807 -13.695 14.470 1.00 0.00 C ATOM 1528 C VAL A 92 -6.832 -14.606 15.735 1.00 0.00 C ATOM 1529 O VAL A 92 -6.070 -15.567 15.896 1.00 0.00 O ATOM 1530 CB VAL A 92 -7.628 -14.299 13.274 1.00 0.00 C ATOM 1531 CG1 VAL A 92 -9.075 -14.718 13.642 1.00 0.00 C ATOM 1532 CG2 VAL A 92 -7.765 -13.344 12.063 1.00 0.00 C ATOM 0 H VAL A 92 -5.176 -13.690 13.111 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.299 -12.771 14.772 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.031 -15.173 13.015 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -9.571 -15.124 12.761 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -9.046 -15.476 14.424 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -9.626 -13.848 14.000 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.344 -13.832 11.279 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.273 -12.431 12.375 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.775 -13.096 11.682 1.00 0.00 H new