USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 584 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 54 ASN : amide:sc= 0.366 K(o=1.3,f=-3.2) USER MOD Set 1.2: A 55 LYS NZ :NH3+ 170:sc= 0.961 (180deg=-0.275) USER MOD Single : A 1 MET CE :methyl 160:sc= -0.204 (180deg=-0.749) USER MOD Single : A 1 MET N :NH3+ -169:sc=-0.00286 (180deg=-0.143) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.0423 X(o=-0.042,f=-0.091) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0296 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -147:sc= -0.734 (180deg=-1.91!) USER MOD Single : A 20 LYS NZ :NH3+ -108:sc= 1.27 (180deg=-0.358!) USER MOD Single : A 23 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 26 ASN : amide:sc= -0.186! X(o=-0.19!,f=-0.44) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -2.52! C(o=-2.5!,f=-4.1!) USER MOD Single : A 33 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.125) USER MOD Single : A 36 ASN : amide:sc= -2.43! C(o=-2.4!,f=-14!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.9 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0755 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot -135:sc= -1.7! USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00827) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 HIS : no HE2:sc= 1.22 K(o=1.2,f=-4.5!) USER MOD Single : A 71 HIS : no HD1:sc=-0.00654 X(o=-0.0065,f=0) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HE2:sc= 0.921 K(o=0.92,f=-6.3!) USER MOD Single : A 74 HIS : no HD1:sc= -0.027 X(o=-0.027,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.792 -4.326 -5.240 1.00 0.00 N ATOM 2 CA MET A 1 -13.784 -4.732 -3.819 1.00 0.00 C ATOM 3 C MET A 1 -12.658 -4.029 -3.074 1.00 0.00 C ATOM 4 O MET A 1 -11.521 -4.502 -3.051 1.00 0.00 O ATOM 5 CB MET A 1 -13.615 -6.249 -3.696 1.00 0.00 C ATOM 6 CG MET A 1 -14.771 -7.051 -4.271 1.00 0.00 C ATOM 7 SD MET A 1 -14.503 -8.837 -4.166 1.00 0.00 S ATOM 8 CE MET A 1 -14.309 -9.047 -2.398 1.00 0.00 C ATOM 0 H1 MET A 1 -14.667 -4.661 -5.692 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.744 -3.289 -5.305 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.971 -4.742 -5.724 1.00 0.00 H new ATOM 0 HA MET A 1 -14.738 -4.445 -3.377 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.695 -6.544 -4.202 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.496 -6.506 -2.643 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.687 -6.793 -3.739 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.919 -6.771 -5.314 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.490 -10.089 -2.133 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.296 -8.770 -2.108 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.023 -8.410 -1.875 1.00 0.00 H new ATOM 20 N ALA A 2 -12.967 -2.883 -2.489 1.00 0.00 N ATOM 21 CA ALA A 2 -11.987 -2.140 -1.716 1.00 0.00 C ATOM 22 C ALA A 2 -11.930 -2.669 -0.291 1.00 0.00 C ATOM 23 O ALA A 2 -12.955 -2.769 0.385 1.00 0.00 O ATOM 24 CB ALA A 2 -12.318 -0.656 -1.725 1.00 0.00 C ATOM 0 H ALA A 2 -13.888 -2.448 -2.535 1.00 0.00 H new ATOM 0 HA ALA A 2 -11.007 -2.274 -2.173 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.574 -0.114 -1.141 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.313 -0.288 -2.751 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.305 -0.501 -1.289 1.00 0.00 H new ATOM 30 N MET A 3 -10.737 -3.019 0.161 1.00 0.00 N ATOM 31 CA MET A 3 -10.561 -3.547 1.505 1.00 0.00 C ATOM 32 C MET A 3 -9.301 -2.957 2.133 1.00 0.00 C ATOM 33 O MET A 3 -8.585 -2.190 1.486 1.00 0.00 O ATOM 34 CB MET A 3 -10.495 -5.077 1.465 1.00 0.00 C ATOM 35 CG MET A 3 -10.924 -5.752 2.759 1.00 0.00 C ATOM 36 SD MET A 3 -11.057 -7.543 2.586 1.00 0.00 S ATOM 37 CE MET A 3 -11.732 -7.997 4.182 1.00 0.00 C ATOM 0 H MET A 3 -9.876 -2.947 -0.382 1.00 0.00 H new ATOM 0 HA MET A 3 -11.415 -3.262 2.120 1.00 0.00 H new ATOM 0 HB2 MET A 3 -11.128 -5.436 0.654 1.00 0.00 H new ATOM 0 HB3 MET A 3 -9.474 -5.380 1.231 1.00 0.00 H new ATOM 0 HG2 MET A 3 -10.205 -5.517 3.544 1.00 0.00 H new ATOM 0 HG3 MET A 3 -11.885 -5.347 3.076 1.00 0.00 H new ATOM 0 HE1 MET A 3 -11.870 -9.077 4.225 1.00 0.00 H new ATOM 0 HE2 MET A 3 -11.045 -7.687 4.969 1.00 0.00 H new ATOM 0 HE3 MET A 3 -12.693 -7.503 4.325 1.00 0.00 H new ATOM 47 N ASN A 4 -9.034 -3.299 3.385 1.00 0.00 N ATOM 48 CA ASN A 4 -7.919 -2.709 4.106 1.00 0.00 C ATOM 49 C ASN A 4 -6.765 -3.687 4.272 1.00 0.00 C ATOM 50 O ASN A 4 -6.968 -4.881 4.489 1.00 0.00 O ATOM 51 CB ASN A 4 -8.373 -2.203 5.479 1.00 0.00 C ATOM 52 CG ASN A 4 -8.944 -3.302 6.364 1.00 0.00 C ATOM 53 OD1 ASN A 4 -10.138 -3.609 6.298 1.00 0.00 O ATOM 54 ND2 ASN A 4 -8.113 -3.883 7.220 1.00 0.00 N ATOM 0 H ASN A 4 -9.573 -3.980 3.920 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.562 -1.869 3.511 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.527 -1.740 5.986 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -9.126 -1.427 5.342 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -8.455 -4.608 7.851 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -7.132 -3.605 7.247 1.00 0.00 H new ATOM 61 N GLY A 5 -5.559 -3.150 4.157 1.00 0.00 N ATOM 62 CA GLY A 5 -4.348 -3.905 4.405 1.00 0.00 C ATOM 63 C GLY A 5 -3.384 -3.093 5.240 1.00 0.00 C ATOM 64 O GLY A 5 -3.667 -1.937 5.555 1.00 0.00 O ATOM 0 H GLY A 5 -5.397 -2.179 3.889 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.590 -4.835 4.919 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -3.880 -4.176 3.458 1.00 0.00 H new ATOM 68 N THR A 6 -2.254 -3.672 5.608 1.00 0.00 N ATOM 69 CA THR A 6 -1.291 -2.970 6.439 1.00 0.00 C ATOM 70 C THR A 6 0.065 -2.898 5.749 1.00 0.00 C ATOM 71 O THR A 6 0.504 -3.859 5.115 1.00 0.00 O ATOM 72 CB THR A 6 -1.137 -3.650 7.810 1.00 0.00 C ATOM 73 OG1 THR A 6 -2.432 -3.977 8.337 1.00 0.00 O ATOM 74 CG2 THR A 6 -0.408 -2.743 8.788 1.00 0.00 C ATOM 0 H THR A 6 -1.982 -4.620 5.347 1.00 0.00 H new ATOM 0 HA THR A 6 -1.668 -1.959 6.593 1.00 0.00 H new ATOM 0 HB THR A 6 -0.551 -4.559 7.676 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.330 -4.411 9.209 1.00 0.00 H new ATOM 0 HG21 THR A 6 -0.312 -3.247 9.750 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.584 -2.511 8.399 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.972 -1.819 8.917 1.00 0.00 H new ATOM 82 N ILE A 7 0.713 -1.752 5.867 1.00 0.00 N ATOM 83 CA ILE A 7 2.011 -1.533 5.242 1.00 0.00 C ATOM 84 C ILE A 7 3.104 -2.238 6.034 1.00 0.00 C ATOM 85 O ILE A 7 3.467 -1.804 7.130 1.00 0.00 O ATOM 86 CB ILE A 7 2.340 -0.028 5.139 1.00 0.00 C ATOM 87 CG1 ILE A 7 1.194 0.712 4.445 1.00 0.00 C ATOM 88 CG2 ILE A 7 3.646 0.177 4.384 1.00 0.00 C ATOM 89 CD1 ILE A 7 1.398 2.209 4.346 1.00 0.00 C ATOM 0 H ILE A 7 0.361 -0.952 6.393 1.00 0.00 H new ATOM 0 HA ILE A 7 1.965 -1.946 4.234 1.00 0.00 H new ATOM 0 HB ILE A 7 2.458 0.378 6.144 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.068 0.306 3.441 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.268 0.517 4.987 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.865 1.243 4.319 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.455 -0.328 4.912 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.554 -0.236 3.380 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.543 2.660 3.842 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.493 2.630 5.347 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.305 2.416 3.778 1.00 0.00 H new ATOM 101 N THR A 8 3.630 -3.318 5.477 1.00 0.00 N ATOM 102 CA THR A 8 4.587 -4.148 6.184 1.00 0.00 C ATOM 103 C THR A 8 6.015 -3.800 5.782 1.00 0.00 C ATOM 104 O THR A 8 6.910 -3.707 6.622 1.00 0.00 O ATOM 105 CB THR A 8 4.313 -5.635 5.903 1.00 0.00 C ATOM 106 OG1 THR A 8 4.059 -5.822 4.504 1.00 0.00 O ATOM 107 CG2 THR A 8 3.124 -6.131 6.716 1.00 0.00 C ATOM 0 H THR A 8 3.408 -3.639 4.535 1.00 0.00 H new ATOM 0 HA THR A 8 4.474 -3.958 7.251 1.00 0.00 H new ATOM 0 HB THR A 8 5.191 -6.211 6.195 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.886 -6.770 4.327 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.950 -7.185 6.500 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.333 -6.008 7.779 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.237 -5.555 6.452 1.00 0.00 H new ATOM 115 N THR A 9 6.215 -3.608 4.492 1.00 0.00 N ATOM 116 CA THR A 9 7.517 -3.261 3.959 1.00 0.00 C ATOM 117 C THR A 9 7.382 -2.085 3.002 1.00 0.00 C ATOM 118 O THR A 9 6.636 -2.160 2.037 1.00 0.00 O ATOM 119 CB THR A 9 8.137 -4.465 3.219 1.00 0.00 C ATOM 120 OG1 THR A 9 8.134 -5.613 4.080 1.00 0.00 O ATOM 121 CG2 THR A 9 9.562 -4.166 2.775 1.00 0.00 C ATOM 0 H THR A 9 5.482 -3.688 3.787 1.00 0.00 H new ATOM 0 HA THR A 9 8.171 -2.985 4.786 1.00 0.00 H new ATOM 0 HB THR A 9 7.537 -4.664 2.331 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.526 -6.377 3.608 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.971 -5.033 2.257 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.561 -3.308 2.102 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.176 -3.942 3.648 1.00 0.00 H new ATOM 129 N TRP A 10 8.080 -0.997 3.273 1.00 0.00 N ATOM 130 CA TRP A 10 8.002 0.175 2.414 1.00 0.00 C ATOM 131 C TRP A 10 9.378 0.795 2.234 1.00 0.00 C ATOM 132 O TRP A 10 10.100 1.022 3.206 1.00 0.00 O ATOM 133 CB TRP A 10 7.025 1.206 2.995 1.00 0.00 C ATOM 134 CG TRP A 10 6.858 2.426 2.135 1.00 0.00 C ATOM 135 CD1 TRP A 10 7.356 3.674 2.377 1.00 0.00 C ATOM 136 CD2 TRP A 10 6.144 2.512 0.895 1.00 0.00 C ATOM 137 NE1 TRP A 10 6.997 4.529 1.364 1.00 0.00 N ATOM 138 CE2 TRP A 10 6.255 3.842 0.444 1.00 0.00 C ATOM 139 CE3 TRP A 10 5.424 1.597 0.119 1.00 0.00 C ATOM 140 CZ2 TRP A 10 5.673 4.276 -0.741 1.00 0.00 C ATOM 141 CZ3 TRP A 10 4.847 2.034 -1.059 1.00 0.00 C ATOM 142 CH2 TRP A 10 4.976 3.360 -1.480 1.00 0.00 C ATOM 0 H TRP A 10 8.703 -0.898 4.074 1.00 0.00 H new ATOM 0 HA TRP A 10 7.632 -0.140 1.438 1.00 0.00 H new ATOM 0 HB2 TRP A 10 6.052 0.734 3.135 1.00 0.00 H new ATOM 0 HB3 TRP A 10 7.376 1.512 3.981 1.00 0.00 H new ATOM 0 HD1 TRP A 10 7.946 3.949 3.239 1.00 0.00 H new ATOM 0 HE1 TRP A 10 7.244 5.517 1.307 1.00 0.00 H new ATOM 0 HE3 TRP A 10 5.321 0.569 0.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 5.768 5.301 -1.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 4.286 1.338 -1.665 1.00 0.00 H new ATOM 0 HH2 TRP A 10 4.516 3.668 -2.407 1.00 0.00 H new ATOM 153 N PHE A 11 9.741 1.042 0.987 1.00 0.00 N ATOM 154 CA PHE A 11 11.001 1.690 0.672 1.00 0.00 C ATOM 155 C PHE A 11 10.734 3.111 0.203 1.00 0.00 C ATOM 156 O PHE A 11 10.488 3.345 -0.981 1.00 0.00 O ATOM 157 CB PHE A 11 11.762 0.906 -0.402 1.00 0.00 C ATOM 158 CG PHE A 11 12.110 -0.496 0.009 1.00 0.00 C ATOM 159 CD1 PHE A 11 13.201 -0.740 0.826 1.00 0.00 C ATOM 160 CD2 PHE A 11 11.344 -1.568 -0.418 1.00 0.00 C ATOM 161 CE1 PHE A 11 13.525 -2.027 1.209 1.00 0.00 C ATOM 162 CE2 PHE A 11 11.662 -2.859 -0.039 1.00 0.00 C ATOM 163 CZ PHE A 11 12.753 -3.089 0.776 1.00 0.00 C ATOM 0 H PHE A 11 9.177 0.802 0.172 1.00 0.00 H new ATOM 0 HA PHE A 11 11.620 1.716 1.569 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.159 0.870 -1.309 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.679 1.441 -0.649 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.806 0.086 1.168 1.00 0.00 H new ATOM 0 HD2 PHE A 11 10.489 -1.394 -1.054 1.00 0.00 H new ATOM 0 HE1 PHE A 11 14.380 -2.203 1.845 1.00 0.00 H new ATOM 0 HE2 PHE A 11 11.058 -3.687 -0.380 1.00 0.00 H new ATOM 0 HZ PHE A 11 13.003 -4.096 1.074 1.00 0.00 H new ATOM 173 N LYS A 12 10.763 4.045 1.145 1.00 0.00 N ATOM 174 CA LYS A 12 10.383 5.431 0.885 1.00 0.00 C ATOM 175 C LYS A 12 11.264 6.047 -0.201 1.00 0.00 C ATOM 176 O LYS A 12 10.762 6.643 -1.154 1.00 0.00 O ATOM 177 CB LYS A 12 10.481 6.245 2.186 1.00 0.00 C ATOM 178 CG LYS A 12 9.499 7.407 2.280 1.00 0.00 C ATOM 179 CD LYS A 12 9.757 8.458 1.217 1.00 0.00 C ATOM 180 CE LYS A 12 8.689 9.536 1.222 1.00 0.00 C ATOM 181 NZ LYS A 12 8.825 10.444 0.054 1.00 0.00 N ATOM 0 H LYS A 12 11.049 3.866 2.108 1.00 0.00 H new ATOM 0 HA LYS A 12 9.354 5.450 0.527 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.316 5.577 3.031 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.495 6.634 2.281 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.481 7.030 2.178 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.572 7.864 3.267 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.733 8.913 1.384 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.790 7.983 0.236 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.703 9.072 1.210 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.759 10.114 2.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.080 11.168 0.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.757 10.905 0.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.734 9.895 -0.825 1.00 0.00 H new ATOM 195 N ASP A 13 12.573 5.890 -0.050 1.00 0.00 N ATOM 196 CA ASP A 13 13.535 6.430 -1.009 1.00 0.00 C ATOM 197 C ASP A 13 13.302 5.870 -2.407 1.00 0.00 C ATOM 198 O ASP A 13 13.300 6.607 -3.396 1.00 0.00 O ATOM 199 CB ASP A 13 14.967 6.114 -0.567 1.00 0.00 C ATOM 200 CG ASP A 13 15.987 6.403 -1.653 1.00 0.00 C ATOM 201 OD1 ASP A 13 16.434 7.561 -1.762 1.00 0.00 O ATOM 202 OD2 ASP A 13 16.338 5.469 -2.411 1.00 0.00 O ATOM 0 H ASP A 13 12.997 5.390 0.732 1.00 0.00 H new ATOM 0 HA ASP A 13 13.393 7.510 -1.040 1.00 0.00 H new ATOM 0 HB2 ASP A 13 15.208 6.701 0.319 1.00 0.00 H new ATOM 0 HB3 ASP A 13 15.032 5.064 -0.281 1.00 0.00 H new ATOM 207 N LYS A 14 13.100 4.563 -2.480 1.00 0.00 N ATOM 208 CA LYS A 14 12.979 3.883 -3.756 1.00 0.00 C ATOM 209 C LYS A 14 11.615 4.156 -4.388 1.00 0.00 C ATOM 210 O LYS A 14 11.513 4.355 -5.598 1.00 0.00 O ATOM 211 CB LYS A 14 13.202 2.384 -3.569 1.00 0.00 C ATOM 212 CG LYS A 14 13.889 1.729 -4.754 1.00 0.00 C ATOM 213 CD LYS A 14 15.266 2.329 -5.021 1.00 0.00 C ATOM 214 CE LYS A 14 16.295 1.958 -3.954 1.00 0.00 C ATOM 215 NZ LYS A 14 16.161 2.768 -2.709 1.00 0.00 N ATOM 0 H LYS A 14 13.017 3.953 -1.667 1.00 0.00 H new ATOM 0 HA LYS A 14 13.742 4.268 -4.433 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.802 2.221 -2.674 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.241 1.898 -3.401 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.989 0.660 -4.569 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.266 1.842 -5.642 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.621 1.990 -5.994 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.180 3.414 -5.073 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.189 0.902 -3.707 1.00 0.00 H new ATOM 0 HE3 LYS A 14 17.297 2.091 -4.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 17.100 2.913 -2.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 15.739 3.690 -2.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.551 2.267 -2.033 1.00 0.00 H new ATOM 229 N GLY A 15 10.573 4.174 -3.566 1.00 0.00 N ATOM 230 CA GLY A 15 9.259 4.535 -4.056 1.00 0.00 C ATOM 231 C GLY A 15 8.306 3.361 -4.178 1.00 0.00 C ATOM 232 O GLY A 15 7.196 3.517 -4.685 1.00 0.00 O ATOM 0 H GLY A 15 10.615 3.946 -2.573 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.823 5.276 -3.386 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.363 5.009 -5.032 1.00 0.00 H new ATOM 236 N PHE A 16 8.713 2.187 -3.720 1.00 0.00 N ATOM 237 CA PHE A 16 7.833 1.027 -3.773 1.00 0.00 C ATOM 238 C PHE A 16 7.779 0.328 -2.426 1.00 0.00 C ATOM 239 O PHE A 16 8.497 0.690 -1.493 1.00 0.00 O ATOM 240 CB PHE A 16 8.260 0.040 -4.871 1.00 0.00 C ATOM 241 CG PHE A 16 9.508 -0.753 -4.571 1.00 0.00 C ATOM 242 CD1 PHE A 16 10.763 -0.234 -4.839 1.00 0.00 C ATOM 243 CD2 PHE A 16 9.418 -2.029 -4.033 1.00 0.00 C ATOM 244 CE1 PHE A 16 11.904 -0.970 -4.572 1.00 0.00 C ATOM 245 CE2 PHE A 16 10.553 -2.766 -3.764 1.00 0.00 C ATOM 246 CZ PHE A 16 11.799 -2.236 -4.034 1.00 0.00 C ATOM 0 H PHE A 16 9.632 2.012 -3.313 1.00 0.00 H new ATOM 0 HA PHE A 16 6.835 1.388 -4.020 1.00 0.00 H new ATOM 0 HB2 PHE A 16 7.441 -0.656 -5.050 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.415 0.595 -5.796 1.00 0.00 H new ATOM 0 HD1 PHE A 16 10.853 0.756 -5.261 1.00 0.00 H new ATOM 0 HD2 PHE A 16 8.446 -2.451 -3.822 1.00 0.00 H new ATOM 0 HE1 PHE A 16 12.877 -0.553 -4.785 1.00 0.00 H new ATOM 0 HE2 PHE A 16 10.467 -3.757 -3.343 1.00 0.00 H new ATOM 0 HZ PHE A 16 12.689 -2.811 -3.825 1.00 0.00 H new ATOM 256 N GLY A 17 6.926 -0.677 -2.334 1.00 0.00 N ATOM 257 CA GLY A 17 6.778 -1.408 -1.096 1.00 0.00 C ATOM 258 C GLY A 17 5.767 -2.524 -1.203 1.00 0.00 C ATOM 259 O GLY A 17 5.279 -2.834 -2.292 1.00 0.00 O ATOM 0 H GLY A 17 6.331 -1.001 -3.097 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.743 -1.823 -0.805 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.474 -0.721 -0.306 1.00 0.00 H new ATOM 263 N PHE A 18 5.441 -3.113 -0.064 1.00 0.00 N ATOM 264 CA PHE A 18 4.521 -4.224 0.002 1.00 0.00 C ATOM 265 C PHE A 18 3.532 -3.992 1.124 1.00 0.00 C ATOM 266 O PHE A 18 3.916 -3.758 2.275 1.00 0.00 O ATOM 267 CB PHE A 18 5.265 -5.538 0.244 1.00 0.00 C ATOM 268 CG PHE A 18 6.309 -5.851 -0.792 1.00 0.00 C ATOM 269 CD1 PHE A 18 5.952 -6.426 -2.001 1.00 0.00 C ATOM 270 CD2 PHE A 18 7.646 -5.571 -0.554 1.00 0.00 C ATOM 271 CE1 PHE A 18 6.910 -6.713 -2.955 1.00 0.00 C ATOM 272 CE2 PHE A 18 8.606 -5.856 -1.504 1.00 0.00 C ATOM 273 CZ PHE A 18 8.239 -6.427 -2.707 1.00 0.00 C ATOM 0 H PHE A 18 5.812 -2.828 0.842 1.00 0.00 H new ATOM 0 HA PHE A 18 3.996 -4.295 -0.951 1.00 0.00 H new ATOM 0 HB2 PHE A 18 5.741 -5.499 1.224 1.00 0.00 H new ATOM 0 HB3 PHE A 18 4.542 -6.353 0.273 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.915 -6.652 -2.200 1.00 0.00 H new ATOM 0 HD2 PHE A 18 7.939 -5.125 0.385 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.620 -7.161 -3.894 1.00 0.00 H new ATOM 0 HE2 PHE A 18 9.644 -5.633 -1.307 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.989 -6.649 -3.452 1.00 0.00 H new ATOM 283 N ILE A 19 2.268 -4.029 0.777 1.00 0.00 N ATOM 284 CA ILE A 19 1.201 -3.875 1.745 1.00 0.00 C ATOM 285 C ILE A 19 0.376 -5.146 1.770 1.00 0.00 C ATOM 286 O ILE A 19 -0.182 -5.553 0.749 1.00 0.00 O ATOM 287 CB ILE A 19 0.298 -2.668 1.414 1.00 0.00 C ATOM 288 CG1 ILE A 19 1.112 -1.373 1.436 1.00 0.00 C ATOM 289 CG2 ILE A 19 -0.866 -2.588 2.389 1.00 0.00 C ATOM 290 CD1 ILE A 19 0.337 -0.158 0.981 1.00 0.00 C ATOM 0 H ILE A 19 1.947 -4.166 -0.181 1.00 0.00 H new ATOM 0 HA ILE A 19 1.645 -3.691 2.723 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.107 -2.803 0.411 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.477 -1.201 2.449 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.987 -1.494 0.798 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.491 -1.731 2.140 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.459 -3.501 2.324 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.484 -2.475 3.404 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.980 0.721 1.024 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.005 -0.307 -0.043 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.524 -0.010 1.633 1.00 0.00 H new ATOM 302 N LYS A 20 0.334 -5.789 2.920 1.00 0.00 N ATOM 303 CA LYS A 20 -0.375 -7.042 3.050 1.00 0.00 C ATOM 304 C LYS A 20 -1.658 -6.856 3.834 1.00 0.00 C ATOM 305 O LYS A 20 -1.650 -6.359 4.962 1.00 0.00 O ATOM 306 CB LYS A 20 0.512 -8.097 3.712 1.00 0.00 C ATOM 307 CG LYS A 20 -0.214 -9.403 3.999 1.00 0.00 C ATOM 308 CD LYS A 20 0.745 -10.576 4.054 1.00 0.00 C ATOM 309 CE LYS A 20 0.046 -11.844 4.514 1.00 0.00 C ATOM 310 NZ LYS A 20 0.861 -13.057 4.240 1.00 0.00 N ATOM 0 H LYS A 20 0.783 -5.463 3.776 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.635 -7.390 2.050 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.367 -8.299 3.067 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.906 -7.696 4.646 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.746 -9.323 4.947 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.963 -9.581 3.227 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.182 -10.737 3.068 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.566 -10.345 4.733 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.159 -11.778 5.583 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.916 -11.932 4.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.432 -13.595 3.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.826 -12.774 3.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.896 -13.652 5.093 1.00 0.00 H new ATOM 324 N ASP A 21 -2.755 -7.251 3.221 1.00 0.00 N ATOM 325 CA ASP A 21 -4.046 -7.215 3.876 1.00 0.00 C ATOM 326 C ASP A 21 -4.264 -8.527 4.603 1.00 0.00 C ATOM 327 O ASP A 21 -3.383 -9.387 4.625 1.00 0.00 O ATOM 328 CB ASP A 21 -5.169 -6.986 2.866 1.00 0.00 C ATOM 329 CG ASP A 21 -5.177 -8.012 1.757 1.00 0.00 C ATOM 330 OD1 ASP A 21 -4.369 -7.886 0.817 1.00 0.00 O ATOM 331 OD2 ASP A 21 -5.993 -8.951 1.829 1.00 0.00 O ATOM 0 H ASP A 21 -2.778 -7.603 2.264 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.060 -6.387 4.585 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.128 -7.010 3.384 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.065 -5.991 2.433 1.00 0.00 H new ATOM 336 N GLU A 22 -5.430 -8.691 5.191 1.00 0.00 N ATOM 337 CA GLU A 22 -5.709 -9.897 5.955 1.00 0.00 C ATOM 338 C GLU A 22 -6.691 -10.799 5.214 1.00 0.00 C ATOM 339 O GLU A 22 -7.117 -11.836 5.726 1.00 0.00 O ATOM 340 CB GLU A 22 -6.237 -9.543 7.346 1.00 0.00 C ATOM 341 CG GLU A 22 -5.805 -10.533 8.414 1.00 0.00 C ATOM 342 CD GLU A 22 -6.297 -10.160 9.793 1.00 0.00 C ATOM 343 OE1 GLU A 22 -7.475 -10.450 10.104 1.00 0.00 O ATOM 344 OE2 GLU A 22 -5.512 -9.582 10.571 1.00 0.00 O ATOM 0 H GLU A 22 -6.194 -8.016 5.158 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.775 -10.447 6.074 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.888 -8.547 7.619 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.326 -9.502 7.316 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.178 -11.524 8.156 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.717 -10.595 8.426 1.00 0.00 H new ATOM 351 N ASN A 23 -7.032 -10.412 3.996 1.00 0.00 N ATOM 352 CA ASN A 23 -7.931 -11.203 3.175 1.00 0.00 C ATOM 353 C ASN A 23 -7.115 -12.117 2.272 1.00 0.00 C ATOM 354 O ASN A 23 -7.349 -13.324 2.210 1.00 0.00 O ATOM 355 CB ASN A 23 -8.835 -10.294 2.334 1.00 0.00 C ATOM 356 CG ASN A 23 -9.849 -11.073 1.517 1.00 0.00 C ATOM 357 OD1 ASN A 23 -10.292 -12.150 1.914 1.00 0.00 O ATOM 358 ND2 ASN A 23 -10.228 -10.530 0.371 1.00 0.00 N ATOM 0 H ASN A 23 -6.699 -9.555 3.555 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.567 -11.807 3.823 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -9.359 -9.601 2.992 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -8.219 -9.694 1.665 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.911 -11.007 -0.218 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -9.837 -9.635 0.077 1.00 0.00 H new ATOM 365 N GLY A 24 -6.143 -11.533 1.591 1.00 0.00 N ATOM 366 CA GLY A 24 -5.284 -12.298 0.719 1.00 0.00 C ATOM 367 C GLY A 24 -3.849 -12.320 1.200 1.00 0.00 C ATOM 368 O GLY A 24 -3.474 -13.159 2.023 1.00 0.00 O ATOM 0 H GLY A 24 -5.934 -10.535 1.628 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.657 -13.320 0.650 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.322 -11.876 -0.285 1.00 0.00 H new ATOM 372 N ASP A 25 -3.055 -11.374 0.717 1.00 0.00 N ATOM 373 CA ASP A 25 -1.631 -11.336 1.010 1.00 0.00 C ATOM 374 C ASP A 25 -1.065 -9.997 0.552 1.00 0.00 C ATOM 375 O ASP A 25 -1.825 -9.090 0.217 1.00 0.00 O ATOM 376 CB ASP A 25 -0.906 -12.491 0.309 1.00 0.00 C ATOM 377 CG ASP A 25 0.336 -12.932 1.060 1.00 0.00 C ATOM 378 OD1 ASP A 25 1.368 -12.244 0.974 1.00 0.00 O ATOM 379 OD2 ASP A 25 0.278 -13.966 1.756 1.00 0.00 O ATOM 0 H ASP A 25 -3.378 -10.617 0.115 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.480 -11.447 2.084 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.587 -13.337 0.209 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.628 -12.184 -0.699 1.00 0.00 H new ATOM 384 N ASN A 26 0.252 -9.866 0.522 1.00 0.00 N ATOM 385 CA ASN A 26 0.870 -8.604 0.163 1.00 0.00 C ATOM 386 C ASN A 26 0.778 -8.338 -1.333 1.00 0.00 C ATOM 387 O ASN A 26 0.984 -9.229 -2.161 1.00 0.00 O ATOM 388 CB ASN A 26 2.331 -8.528 0.648 1.00 0.00 C ATOM 389 CG ASN A 26 3.192 -9.745 0.315 1.00 0.00 C ATOM 390 OD1 ASN A 26 4.073 -10.113 1.092 1.00 0.00 O ATOM 391 ND2 ASN A 26 2.971 -10.367 -0.834 1.00 0.00 N ATOM 0 H ASN A 26 0.909 -10.615 0.741 1.00 0.00 H new ATOM 0 HA ASN A 26 0.310 -7.820 0.673 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.796 -7.644 0.212 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.331 -8.388 1.729 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.538 -11.174 -1.095 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.234 -10.039 -1.458 1.00 0.00 H new ATOM 398 N ARG A 27 0.431 -7.110 -1.667 1.00 0.00 N ATOM 399 CA ARG A 27 0.425 -6.660 -3.046 1.00 0.00 C ATOM 400 C ARG A 27 1.650 -5.794 -3.290 1.00 0.00 C ATOM 401 O ARG A 27 2.170 -5.173 -2.359 1.00 0.00 O ATOM 402 CB ARG A 27 -0.854 -5.873 -3.357 1.00 0.00 C ATOM 403 CG ARG A 27 -1.998 -6.720 -3.900 1.00 0.00 C ATOM 404 CD ARG A 27 -2.559 -7.694 -2.873 1.00 0.00 C ATOM 405 NE ARG A 27 -3.538 -8.599 -3.482 1.00 0.00 N ATOM 406 CZ ARG A 27 -4.426 -9.325 -2.800 1.00 0.00 C ATOM 407 NH1 ARG A 27 -4.505 -9.229 -1.479 1.00 0.00 N ATOM 408 NH2 ARG A 27 -5.251 -10.140 -3.448 1.00 0.00 N ATOM 0 H ARG A 27 0.146 -6.399 -0.994 1.00 0.00 H new ATOM 0 HA ARG A 27 0.452 -7.528 -3.705 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.188 -5.373 -2.448 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.619 -5.094 -4.082 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.797 -6.063 -4.244 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.649 -7.278 -4.769 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.746 -8.274 -2.436 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.028 -7.140 -2.060 1.00 0.00 H new ATOM 0 HE ARG A 27 -3.541 -8.680 -4.499 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -3.884 -8.596 -0.976 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.187 -9.788 -0.967 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.205 -10.210 -4.465 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.931 -10.696 -2.929 1.00 0.00 H new ATOM 422 N TYR A 28 2.128 -5.774 -4.523 1.00 0.00 N ATOM 423 CA TYR A 28 3.241 -4.915 -4.885 1.00 0.00 C ATOM 424 C TYR A 28 2.736 -3.499 -5.111 1.00 0.00 C ATOM 425 O TYR A 28 1.918 -3.254 -6.000 1.00 0.00 O ATOM 426 CB TYR A 28 3.952 -5.439 -6.136 1.00 0.00 C ATOM 427 CG TYR A 28 5.080 -4.547 -6.604 1.00 0.00 C ATOM 428 CD1 TYR A 28 6.264 -4.451 -5.881 1.00 0.00 C ATOM 429 CD2 TYR A 28 4.952 -3.785 -7.756 1.00 0.00 C ATOM 430 CE1 TYR A 28 7.287 -3.622 -6.300 1.00 0.00 C ATOM 431 CE2 TYR A 28 5.969 -2.953 -8.178 1.00 0.00 C ATOM 432 CZ TYR A 28 7.134 -2.874 -7.448 1.00 0.00 C ATOM 433 OH TYR A 28 8.145 -2.036 -7.865 1.00 0.00 O ATOM 0 H TYR A 28 1.763 -6.342 -5.288 1.00 0.00 H new ATOM 0 HA TYR A 28 3.964 -4.912 -4.069 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.347 -6.434 -5.930 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.225 -5.545 -6.941 1.00 0.00 H new ATOM 0 HD1 TYR A 28 6.386 -5.033 -4.979 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.041 -3.844 -8.333 1.00 0.00 H new ATOM 0 HE1 TYR A 28 8.203 -3.560 -5.731 1.00 0.00 H new ATOM 0 HE2 TYR A 28 5.852 -2.366 -9.077 1.00 0.00 H new ATOM 0 HH TYR A 28 7.875 -1.584 -8.691 1.00 0.00 H new ATOM 443 N PHE A 29 3.210 -2.573 -4.296 1.00 0.00 N ATOM 444 CA PHE A 29 2.766 -1.195 -4.380 1.00 0.00 C ATOM 445 C PHE A 29 3.869 -0.289 -4.883 1.00 0.00 C ATOM 446 O PHE A 29 5.057 -0.583 -4.750 1.00 0.00 O ATOM 447 CB PHE A 29 2.279 -0.687 -3.024 1.00 0.00 C ATOM 448 CG PHE A 29 0.952 -1.248 -2.601 1.00 0.00 C ATOM 449 CD1 PHE A 29 0.858 -2.523 -2.081 1.00 0.00 C ATOM 450 CD2 PHE A 29 -0.201 -0.493 -2.725 1.00 0.00 C ATOM 451 CE1 PHE A 29 -0.361 -3.039 -1.687 1.00 0.00 C ATOM 452 CE2 PHE A 29 -1.423 -1.005 -2.333 1.00 0.00 C ATOM 453 CZ PHE A 29 -1.502 -2.279 -1.814 1.00 0.00 C ATOM 0 H PHE A 29 3.902 -2.752 -3.569 1.00 0.00 H new ATOM 0 HA PHE A 29 1.938 -1.173 -5.089 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.024 -0.933 -2.267 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.207 0.400 -3.059 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.749 -3.125 -1.981 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.145 0.506 -3.132 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.419 -4.038 -1.280 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.316 -0.407 -2.433 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.457 -2.680 -1.508 1.00 0.00 H new ATOM 463 N HIS A 30 3.450 0.819 -5.455 1.00 0.00 N ATOM 464 CA HIS A 30 4.350 1.846 -5.927 1.00 0.00 C ATOM 465 C HIS A 30 3.739 3.201 -5.584 1.00 0.00 C ATOM 466 O HIS A 30 2.558 3.427 -5.844 1.00 0.00 O ATOM 467 CB HIS A 30 4.586 1.691 -7.437 1.00 0.00 C ATOM 468 CG HIS A 30 5.551 2.683 -8.014 1.00 0.00 C ATOM 469 ND1 HIS A 30 5.273 3.429 -9.137 1.00 0.00 N ATOM 470 CD2 HIS A 30 6.782 3.070 -7.608 1.00 0.00 C ATOM 471 CE1 HIS A 30 6.282 4.240 -9.390 1.00 0.00 C ATOM 472 NE2 HIS A 30 7.213 4.039 -8.477 1.00 0.00 N ATOM 0 H HIS A 30 2.464 1.033 -5.606 1.00 0.00 H new ATOM 0 HA HIS A 30 5.323 1.760 -5.444 1.00 0.00 H new ATOM 0 HB2 HIS A 30 4.956 0.685 -7.634 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.631 1.787 -7.954 1.00 0.00 H new ATOM 0 HD2 HIS A 30 7.325 2.687 -6.757 1.00 0.00 H new ATOM 0 HE1 HIS A 30 6.337 4.947 -10.205 1.00 0.00 H new ATOM 0 HE2 HIS A 30 8.108 4.525 -8.426 1.00 0.00 H new ATOM 481 N VAL A 31 4.551 4.077 -4.999 1.00 0.00 N ATOM 482 CA VAL A 31 4.092 5.334 -4.391 1.00 0.00 C ATOM 483 C VAL A 31 3.121 6.134 -5.273 1.00 0.00 C ATOM 484 O VAL A 31 2.224 6.801 -4.764 1.00 0.00 O ATOM 485 CB VAL A 31 5.304 6.219 -4.006 1.00 0.00 C ATOM 486 CG1 VAL A 31 6.099 6.636 -5.237 1.00 0.00 C ATOM 487 CG2 VAL A 31 4.865 7.441 -3.215 1.00 0.00 C ATOM 0 H VAL A 31 5.559 3.937 -4.930 1.00 0.00 H new ATOM 0 HA VAL A 31 3.534 5.048 -3.499 1.00 0.00 H new ATOM 0 HB VAL A 31 5.955 5.619 -3.370 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.942 7.256 -4.933 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.468 5.748 -5.750 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.456 7.203 -5.910 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.738 8.042 -2.960 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.178 8.036 -3.816 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.364 7.122 -2.301 1.00 0.00 H new ATOM 497 N ILE A 32 3.285 6.046 -6.586 1.00 0.00 N ATOM 498 CA ILE A 32 2.462 6.818 -7.513 1.00 0.00 C ATOM 499 C ILE A 32 0.976 6.444 -7.420 1.00 0.00 C ATOM 500 O ILE A 32 0.100 7.289 -7.590 1.00 0.00 O ATOM 501 CB ILE A 32 2.952 6.632 -8.968 1.00 0.00 C ATOM 502 CG1 ILE A 32 2.170 7.530 -9.911 1.00 0.00 C ATOM 503 CG2 ILE A 32 2.804 5.187 -9.400 1.00 0.00 C ATOM 504 CD1 ILE A 32 2.768 7.634 -11.296 1.00 0.00 C ATOM 0 H ILE A 32 3.979 5.449 -7.035 1.00 0.00 H new ATOM 0 HA ILE A 32 2.565 7.864 -7.225 1.00 0.00 H new ATOM 0 HB ILE A 32 4.006 6.907 -9.008 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.151 7.153 -9.994 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.107 8.528 -9.477 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.154 5.076 -10.426 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.396 4.549 -8.744 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.755 4.895 -9.341 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.153 8.292 -11.909 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.777 8.040 -11.227 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.806 6.644 -11.751 1.00 0.00 H new ATOM 516 N LYS A 33 0.705 5.185 -7.126 1.00 0.00 N ATOM 517 CA LYS A 33 -0.662 4.671 -7.127 1.00 0.00 C ATOM 518 C LYS A 33 -1.361 4.893 -5.788 1.00 0.00 C ATOM 519 O LYS A 33 -2.485 4.426 -5.577 1.00 0.00 O ATOM 520 CB LYS A 33 -0.663 3.181 -7.476 1.00 0.00 C ATOM 521 CG LYS A 33 -0.221 2.893 -8.904 1.00 0.00 C ATOM 522 CD LYS A 33 -1.096 3.619 -9.915 1.00 0.00 C ATOM 523 CE LYS A 33 -0.656 3.353 -11.346 1.00 0.00 C ATOM 524 NZ LYS A 33 -0.780 1.914 -11.711 1.00 0.00 N ATOM 0 H LYS A 33 1.414 4.493 -6.882 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.218 5.225 -7.883 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.004 2.654 -6.786 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.666 2.781 -7.327 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.817 3.199 -9.033 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.262 1.820 -9.090 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.132 3.304 -9.790 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.063 4.691 -9.719 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.259 3.953 -12.028 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.379 3.671 -11.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.651 1.804 -12.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.053 1.365 -11.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.723 1.568 -11.442 1.00 0.00 H new ATOM 538 N VAL A 34 -0.708 5.609 -4.888 1.00 0.00 N ATOM 539 CA VAL A 34 -1.297 5.909 -3.596 1.00 0.00 C ATOM 540 C VAL A 34 -2.041 7.239 -3.668 1.00 0.00 C ATOM 541 O VAL A 34 -1.521 8.220 -4.198 1.00 0.00 O ATOM 542 CB VAL A 34 -0.227 5.963 -2.483 1.00 0.00 C ATOM 543 CG1 VAL A 34 -0.870 6.134 -1.116 1.00 0.00 C ATOM 544 CG2 VAL A 34 0.645 4.713 -2.511 1.00 0.00 C ATOM 0 H VAL A 34 0.227 5.992 -5.028 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.995 5.109 -3.348 1.00 0.00 H new ATOM 0 HB VAL A 34 0.407 6.829 -2.670 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.094 6.169 -0.351 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.441 7.062 -1.096 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.536 5.294 -0.919 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.391 4.772 -1.719 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.022 3.832 -2.358 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.146 4.640 -3.477 1.00 0.00 H new ATOM 554 N ALA A 35 -3.260 7.262 -3.141 1.00 0.00 N ATOM 555 CA ALA A 35 -4.118 8.440 -3.226 1.00 0.00 C ATOM 556 C ALA A 35 -3.650 9.534 -2.274 1.00 0.00 C ATOM 557 O ALA A 35 -3.925 10.716 -2.485 1.00 0.00 O ATOM 558 CB ALA A 35 -5.560 8.055 -2.933 1.00 0.00 C ATOM 0 H ALA A 35 -3.679 6.474 -2.647 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.056 8.836 -4.240 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.193 8.940 -2.999 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.894 7.315 -3.660 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.628 7.634 -1.930 1.00 0.00 H new ATOM 564 N ASN A 36 -2.956 9.129 -1.222 1.00 0.00 N ATOM 565 CA ASN A 36 -2.384 10.066 -0.266 1.00 0.00 C ATOM 566 C ASN A 36 -1.054 9.529 0.266 1.00 0.00 C ATOM 567 O ASN A 36 -0.941 9.108 1.417 1.00 0.00 O ATOM 568 CB ASN A 36 -3.380 10.363 0.871 1.00 0.00 C ATOM 569 CG ASN A 36 -3.877 9.125 1.607 1.00 0.00 C ATOM 570 OD1 ASN A 36 -3.839 8.011 1.087 1.00 0.00 O ATOM 571 ND2 ASN A 36 -4.379 9.322 2.817 1.00 0.00 N ATOM 0 H ASN A 36 -2.774 8.149 -1.007 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.184 11.011 -0.772 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.905 11.032 1.589 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -4.237 10.895 0.458 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -4.751 8.535 3.349 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.394 10.260 3.216 1.00 0.00 H new ATOM 578 N PRO A 37 -0.013 9.550 -0.588 1.00 0.00 N ATOM 579 CA PRO A 37 1.294 8.950 -0.278 1.00 0.00 C ATOM 580 C PRO A 37 2.107 9.789 0.698 1.00 0.00 C ATOM 581 O PRO A 37 3.142 9.357 1.205 1.00 0.00 O ATOM 582 CB PRO A 37 1.980 8.912 -1.641 1.00 0.00 C ATOM 583 CG PRO A 37 1.412 10.079 -2.369 1.00 0.00 C ATOM 584 CD PRO A 37 -0.023 10.173 -1.929 1.00 0.00 C ATOM 0 HA PRO A 37 1.195 7.977 0.204 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.063 8.992 -1.544 1.00 0.00 H new ATOM 0 HB3 PRO A 37 1.775 7.978 -2.164 1.00 0.00 H new ATOM 0 HG2 PRO A 37 1.956 10.993 -2.129 1.00 0.00 H new ATOM 0 HG3 PRO A 37 1.483 9.940 -3.448 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.364 11.208 -1.889 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -0.688 9.645 -2.612 1.00 0.00 H new ATOM 592 N ASP A 38 1.623 10.988 0.953 1.00 0.00 N ATOM 593 CA ASP A 38 2.297 11.931 1.835 1.00 0.00 C ATOM 594 C ASP A 38 2.046 11.574 3.299 1.00 0.00 C ATOM 595 O ASP A 38 2.671 12.118 4.211 1.00 0.00 O ATOM 596 CB ASP A 38 1.789 13.340 1.534 1.00 0.00 C ATOM 597 CG ASP A 38 2.590 14.424 2.222 1.00 0.00 C ATOM 598 OD1 ASP A 38 3.838 14.409 2.124 1.00 0.00 O ATOM 599 OD2 ASP A 38 1.976 15.316 2.834 1.00 0.00 O ATOM 0 H ASP A 38 0.752 11.340 0.557 1.00 0.00 H new ATOM 0 HA ASP A 38 3.372 11.885 1.661 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.816 13.506 0.457 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.746 13.417 1.843 1.00 0.00 H new ATOM 604 N LEU A 39 1.129 10.643 3.512 1.00 0.00 N ATOM 605 CA LEU A 39 0.753 10.225 4.850 1.00 0.00 C ATOM 606 C LEU A 39 1.248 8.814 5.146 1.00 0.00 C ATOM 607 O LEU A 39 0.995 8.268 6.221 1.00 0.00 O ATOM 608 CB LEU A 39 -0.764 10.280 4.983 1.00 0.00 C ATOM 609 CG LEU A 39 -1.385 11.665 4.790 1.00 0.00 C ATOM 610 CD1 LEU A 39 -2.895 11.592 4.929 1.00 0.00 C ATOM 611 CD2 LEU A 39 -0.800 12.659 5.788 1.00 0.00 C ATOM 0 H LEU A 39 0.628 10.160 2.766 1.00 0.00 H new ATOM 0 HA LEU A 39 1.215 10.901 5.569 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.202 9.598 4.254 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.040 9.910 5.971 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.148 12.013 3.784 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.322 12.585 4.789 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.297 10.915 4.176 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.152 11.224 5.922 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.254 13.638 5.635 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.005 12.319 6.803 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.277 12.732 5.640 1.00 0.00 H new ATOM 623 N ILE A 40 1.967 8.237 4.194 1.00 0.00 N ATOM 624 CA ILE A 40 2.425 6.857 4.300 1.00 0.00 C ATOM 625 C ILE A 40 3.426 6.671 5.442 1.00 0.00 C ATOM 626 O ILE A 40 4.392 7.427 5.573 1.00 0.00 O ATOM 627 CB ILE A 40 3.058 6.374 2.972 1.00 0.00 C ATOM 628 CG1 ILE A 40 1.984 6.234 1.892 1.00 0.00 C ATOM 629 CG2 ILE A 40 3.794 5.051 3.164 1.00 0.00 C ATOM 630 CD1 ILE A 40 2.524 5.770 0.557 1.00 0.00 C ATOM 0 H ILE A 40 2.248 8.706 3.333 1.00 0.00 H new ATOM 0 HA ILE A 40 1.544 6.253 4.516 1.00 0.00 H new ATOM 0 HB ILE A 40 3.784 7.121 2.652 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.227 5.528 2.234 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.487 7.195 1.759 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.229 4.735 2.216 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.586 5.179 3.901 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.093 4.292 3.512 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.706 5.693 -0.160 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.260 6.487 0.193 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.996 4.794 0.675 1.00 0.00 H new ATOM 642 N LYS A 41 3.157 5.675 6.279 1.00 0.00 N ATOM 643 CA LYS A 41 4.074 5.259 7.330 1.00 0.00 C ATOM 644 C LYS A 41 4.014 3.747 7.479 1.00 0.00 C ATOM 645 O LYS A 41 3.097 3.107 6.962 1.00 0.00 O ATOM 646 CB LYS A 41 3.742 5.934 8.665 1.00 0.00 C ATOM 647 CG LYS A 41 2.288 5.783 9.092 1.00 0.00 C ATOM 648 CD LYS A 41 2.085 6.188 10.544 1.00 0.00 C ATOM 649 CE LYS A 41 2.463 7.639 10.789 1.00 0.00 C ATOM 650 NZ LYS A 41 2.395 7.990 12.231 1.00 0.00 N ATOM 0 H LYS A 41 2.294 5.133 6.246 1.00 0.00 H new ATOM 0 HA LYS A 41 5.082 5.564 7.049 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.383 5.516 9.441 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.980 6.995 8.593 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.655 6.396 8.451 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.974 4.748 8.955 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.042 6.033 10.821 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.684 5.544 11.187 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.472 7.820 10.418 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.795 8.289 10.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.660 8.988 12.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.426 7.842 12.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.051 7.387 12.766 1.00 0.00 H new ATOM 664 N LYS A 42 4.978 3.178 8.181 1.00 0.00 N ATOM 665 CA LYS A 42 5.036 1.733 8.345 1.00 0.00 C ATOM 666 C LYS A 42 4.065 1.278 9.433 1.00 0.00 C ATOM 667 O LYS A 42 3.838 1.993 10.414 1.00 0.00 O ATOM 668 CB LYS A 42 6.473 1.291 8.657 1.00 0.00 C ATOM 669 CG LYS A 42 6.666 -0.218 8.702 1.00 0.00 C ATOM 670 CD LYS A 42 6.568 -0.757 10.118 1.00 0.00 C ATOM 671 CE LYS A 42 6.512 -2.273 10.132 1.00 0.00 C ATOM 672 NZ LYS A 42 6.625 -2.815 11.510 1.00 0.00 N ATOM 0 H LYS A 42 5.728 3.690 8.645 1.00 0.00 H new ATOM 0 HA LYS A 42 4.733 1.259 7.411 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.141 1.709 7.904 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.771 1.713 9.617 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.914 -0.699 8.077 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.639 -0.473 8.283 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.426 -0.418 10.698 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.678 -0.354 10.601 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.575 -2.607 9.686 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.318 -2.672 9.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.583 -3.854 11.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.530 -2.518 11.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.841 -2.454 12.090 1.00 0.00 H new ATOM 686 N ASP A 43 3.476 0.096 9.224 1.00 0.00 N ATOM 687 CA ASP A 43 2.517 -0.503 10.160 1.00 0.00 C ATOM 688 C ASP A 43 1.230 0.322 10.207 1.00 0.00 C ATOM 689 O ASP A 43 0.510 0.340 11.204 1.00 0.00 O ATOM 690 CB ASP A 43 3.133 -0.656 11.560 1.00 0.00 C ATOM 691 CG ASP A 43 2.303 -1.539 12.478 1.00 0.00 C ATOM 692 OD1 ASP A 43 1.954 -2.667 12.071 1.00 0.00 O ATOM 693 OD2 ASP A 43 2.017 -1.117 13.620 1.00 0.00 O ATOM 0 H ASP A 43 3.651 -0.475 8.397 1.00 0.00 H new ATOM 0 HA ASP A 43 2.267 -1.502 9.802 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.134 -1.077 11.467 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.242 0.329 12.013 1.00 0.00 H new ATOM 698 N ALA A 44 0.938 0.996 9.105 1.00 0.00 N ATOM 699 CA ALA A 44 -0.293 1.755 8.979 1.00 0.00 C ATOM 700 C ALA A 44 -1.284 1.004 8.106 1.00 0.00 C ATOM 701 O ALA A 44 -0.888 0.270 7.196 1.00 0.00 O ATOM 702 CB ALA A 44 -0.018 3.134 8.399 1.00 0.00 C ATOM 0 H ALA A 44 1.541 1.032 8.283 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.723 1.881 9.972 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.954 3.686 8.313 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.664 3.675 9.055 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.434 3.030 7.413 1.00 0.00 H new ATOM 708 N ALA A 45 -2.565 1.181 8.390 1.00 0.00 N ATOM 709 CA ALA A 45 -3.614 0.524 7.631 1.00 0.00 C ATOM 710 C ALA A 45 -4.026 1.384 6.446 1.00 0.00 C ATOM 711 O ALA A 45 -4.150 2.601 6.566 1.00 0.00 O ATOM 712 CB ALA A 45 -4.812 0.232 8.523 1.00 0.00 C ATOM 0 H ALA A 45 -2.903 1.778 9.145 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.229 -0.423 7.253 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.589 -0.260 7.939 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.506 -0.419 9.342 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.200 1.166 8.928 1.00 0.00 H new ATOM 718 N VAL A 46 -4.221 0.754 5.302 1.00 0.00 N ATOM 719 CA VAL A 46 -4.618 1.461 4.095 1.00 0.00 C ATOM 720 C VAL A 46 -5.766 0.735 3.408 1.00 0.00 C ATOM 721 O VAL A 46 -5.947 -0.469 3.592 1.00 0.00 O ATOM 722 CB VAL A 46 -3.443 1.606 3.101 1.00 0.00 C ATOM 723 CG1 VAL A 46 -2.330 2.452 3.693 1.00 0.00 C ATOM 724 CG2 VAL A 46 -2.911 0.244 2.696 1.00 0.00 C ATOM 0 H VAL A 46 -4.110 -0.253 5.182 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.938 2.458 4.398 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.819 2.111 2.211 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.516 2.538 2.973 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.713 3.445 3.928 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.960 1.981 4.604 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.085 0.369 1.996 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.560 -0.287 3.581 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.706 -0.330 2.220 1.00 0.00 H new ATOM 734 N THR A 47 -6.543 1.466 2.629 1.00 0.00 N ATOM 735 CA THR A 47 -7.637 0.880 1.875 1.00 0.00 C ATOM 736 C THR A 47 -7.345 0.960 0.380 1.00 0.00 C ATOM 737 O THR A 47 -6.924 2.005 -0.119 1.00 0.00 O ATOM 738 CB THR A 47 -8.974 1.583 2.188 1.00 0.00 C ATOM 739 OG1 THR A 47 -8.802 3.006 2.158 1.00 0.00 O ATOM 740 CG2 THR A 47 -9.506 1.158 3.551 1.00 0.00 C ATOM 0 H THR A 47 -6.436 2.472 2.502 1.00 0.00 H new ATOM 0 HA THR A 47 -7.727 -0.165 2.171 1.00 0.00 H new ATOM 0 HB THR A 47 -9.697 1.290 1.427 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.656 3.443 2.356 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.449 1.667 3.748 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.667 0.080 3.559 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.783 1.422 4.322 1.00 0.00 H new ATOM 748 N PHE A 48 -7.563 -0.141 -0.323 1.00 0.00 N ATOM 749 CA PHE A 48 -7.235 -0.225 -1.741 1.00 0.00 C ATOM 750 C PHE A 48 -8.075 -1.287 -2.428 1.00 0.00 C ATOM 751 O PHE A 48 -8.845 -2.000 -1.778 1.00 0.00 O ATOM 752 CB PHE A 48 -5.749 -0.552 -1.921 1.00 0.00 C ATOM 753 CG PHE A 48 -5.287 -1.750 -1.128 1.00 0.00 C ATOM 754 CD1 PHE A 48 -5.455 -3.037 -1.621 1.00 0.00 C ATOM 755 CD2 PHE A 48 -4.682 -1.587 0.107 1.00 0.00 C ATOM 756 CE1 PHE A 48 -5.027 -4.133 -0.899 1.00 0.00 C ATOM 757 CE2 PHE A 48 -4.253 -2.681 0.834 1.00 0.00 C ATOM 758 CZ PHE A 48 -4.426 -3.956 0.331 1.00 0.00 C ATOM 0 H PHE A 48 -7.967 -0.993 0.066 1.00 0.00 H new ATOM 0 HA PHE A 48 -7.452 0.741 -2.196 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.551 -0.730 -2.978 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.158 0.316 -1.628 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.927 -3.183 -2.582 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.544 -0.593 0.507 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.162 -5.128 -1.296 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.782 -2.539 1.796 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.092 -4.812 0.899 1.00 0.00 H new ATOM 768 N GLU A 49 -7.923 -1.389 -3.739 1.00 0.00 N ATOM 769 CA GLU A 49 -8.575 -2.437 -4.500 1.00 0.00 C ATOM 770 C GLU A 49 -7.525 -3.358 -5.116 1.00 0.00 C ATOM 771 O GLU A 49 -6.485 -2.894 -5.584 1.00 0.00 O ATOM 772 CB GLU A 49 -9.442 -1.817 -5.597 1.00 0.00 C ATOM 773 CG GLU A 49 -10.553 -0.929 -5.063 1.00 0.00 C ATOM 774 CD GLU A 49 -11.307 -0.214 -6.159 1.00 0.00 C ATOM 775 OE1 GLU A 49 -12.197 -0.837 -6.780 1.00 0.00 O ATOM 776 OE2 GLU A 49 -11.027 0.979 -6.398 1.00 0.00 O ATOM 0 H GLU A 49 -7.351 -0.755 -4.298 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.211 -3.022 -3.836 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.808 -1.231 -6.262 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.882 -2.615 -6.196 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.250 -1.535 -4.484 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.128 -0.193 -4.381 1.00 0.00 H new ATOM 783 N PRO A 50 -7.790 -4.671 -5.131 1.00 0.00 N ATOM 784 CA PRO A 50 -6.858 -5.663 -5.657 1.00 0.00 C ATOM 785 C PRO A 50 -6.920 -5.801 -7.177 1.00 0.00 C ATOM 786 O PRO A 50 -7.999 -5.899 -7.770 1.00 0.00 O ATOM 787 CB PRO A 50 -7.302 -6.976 -4.987 1.00 0.00 C ATOM 788 CG PRO A 50 -8.478 -6.634 -4.121 1.00 0.00 C ATOM 789 CD PRO A 50 -8.993 -5.302 -4.594 1.00 0.00 C ATOM 0 HA PRO A 50 -5.826 -5.382 -5.444 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -7.574 -7.721 -5.735 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.493 -7.402 -4.393 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.252 -7.398 -4.200 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.185 -6.585 -3.072 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -9.767 -5.413 -5.354 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -9.426 -4.722 -3.779 1.00 0.00 H new ATOM 797 N THR A 51 -5.749 -5.825 -7.795 1.00 0.00 N ATOM 798 CA THR A 51 -5.629 -6.017 -9.229 1.00 0.00 C ATOM 799 C THR A 51 -4.311 -6.728 -9.528 1.00 0.00 C ATOM 800 O THR A 51 -3.598 -7.146 -8.613 1.00 0.00 O ATOM 801 CB THR A 51 -5.703 -4.664 -9.988 1.00 0.00 C ATOM 802 OG1 THR A 51 -5.771 -4.887 -11.404 1.00 0.00 O ATOM 803 CG2 THR A 51 -4.501 -3.787 -9.672 1.00 0.00 C ATOM 0 H THR A 51 -4.856 -5.712 -7.315 1.00 0.00 H new ATOM 0 HA THR A 51 -6.463 -6.629 -9.574 1.00 0.00 H new ATOM 0 HB THR A 51 -6.605 -4.150 -9.657 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.819 -4.026 -11.869 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.582 -2.847 -10.219 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.471 -3.583 -8.602 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.587 -4.301 -9.969 1.00 0.00 H new ATOM 811 N THR A 52 -4.003 -6.891 -10.797 1.00 0.00 N ATOM 812 CA THR A 52 -2.758 -7.520 -11.194 1.00 0.00 C ATOM 813 C THR A 52 -1.971 -6.601 -12.117 1.00 0.00 C ATOM 814 O THR A 52 -2.544 -5.844 -12.901 1.00 0.00 O ATOM 815 CB THR A 52 -3.006 -8.856 -11.905 1.00 0.00 C ATOM 816 OG1 THR A 52 -4.145 -9.497 -11.321 1.00 0.00 O ATOM 817 CG2 THR A 52 -1.794 -9.771 -11.788 1.00 0.00 C ATOM 0 H THR A 52 -4.597 -6.597 -11.573 1.00 0.00 H new ATOM 0 HA THR A 52 -2.185 -7.710 -10.286 1.00 0.00 H new ATOM 0 HB THR A 52 -3.186 -8.658 -12.962 1.00 0.00 H new ATOM 0 HG1 THR A 52 -4.308 -10.351 -11.774 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.997 -10.711 -12.301 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.929 -9.289 -12.243 1.00 0.00 H new ATOM 0 HG23 THR A 52 -1.588 -9.969 -10.736 1.00 0.00 H new ATOM 825 N ASN A 53 -0.660 -6.670 -12.011 1.00 0.00 N ATOM 826 CA ASN A 53 0.219 -5.845 -12.828 1.00 0.00 C ATOM 827 C ASN A 53 0.773 -6.669 -13.978 1.00 0.00 C ATOM 828 O ASN A 53 0.476 -6.411 -15.146 1.00 0.00 O ATOM 829 CB ASN A 53 1.361 -5.285 -11.985 1.00 0.00 C ATOM 830 CG ASN A 53 2.123 -4.218 -12.727 1.00 0.00 C ATOM 831 OD1 ASN A 53 3.145 -4.486 -13.359 1.00 0.00 O ATOM 832 ND2 ASN A 53 1.615 -3.002 -12.676 1.00 0.00 N ATOM 0 H ASN A 53 -0.173 -7.291 -11.365 1.00 0.00 H new ATOM 0 HA ASN A 53 -0.355 -5.010 -13.230 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.962 -4.871 -11.059 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.039 -6.092 -11.708 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.072 -2.237 -13.173 1.00 0.00 H new ATOM 0 HD22 ASN A 53 0.766 -2.826 -12.139 1.00 0.00 H new ATOM 839 N ASN A 54 1.561 -7.674 -13.626 1.00 0.00 N ATOM 840 CA ASN A 54 2.148 -8.587 -14.597 1.00 0.00 C ATOM 841 C ASN A 54 2.874 -9.709 -13.873 1.00 0.00 C ATOM 842 O ASN A 54 2.464 -10.865 -13.932 1.00 0.00 O ATOM 843 CB ASN A 54 3.116 -7.850 -15.532 1.00 0.00 C ATOM 844 CG ASN A 54 3.858 -8.772 -16.487 1.00 0.00 C ATOM 845 OD1 ASN A 54 5.022 -8.528 -16.814 1.00 0.00 O ATOM 846 ND2 ASN A 54 3.196 -9.817 -16.960 1.00 0.00 N ATOM 0 H ASN A 54 1.812 -7.880 -12.659 1.00 0.00 H new ATOM 0 HA ASN A 54 1.346 -9.007 -15.204 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.559 -7.113 -16.111 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.842 -7.302 -14.931 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.648 -10.452 -17.618 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.234 -9.987 -16.667 1.00 0.00 H new ATOM 853 N LYS A 55 3.935 -9.354 -13.167 1.00 0.00 N ATOM 854 CA LYS A 55 4.750 -10.329 -12.469 1.00 0.00 C ATOM 855 C LYS A 55 4.366 -10.416 -10.995 1.00 0.00 C ATOM 856 O LYS A 55 5.187 -10.762 -10.147 1.00 0.00 O ATOM 857 CB LYS A 55 6.216 -9.941 -12.621 1.00 0.00 C ATOM 858 CG LYS A 55 6.677 -9.926 -14.070 1.00 0.00 C ATOM 859 CD LYS A 55 8.135 -9.526 -14.197 1.00 0.00 C ATOM 860 CE LYS A 55 8.560 -9.454 -15.654 1.00 0.00 C ATOM 861 NZ LYS A 55 7.832 -8.389 -16.396 1.00 0.00 N ATOM 0 H LYS A 55 4.252 -8.390 -13.063 1.00 0.00 H new ATOM 0 HA LYS A 55 4.582 -11.314 -12.905 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.373 -8.954 -12.185 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.832 -10.641 -12.056 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.533 -10.914 -14.507 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.059 -9.232 -14.640 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.292 -8.558 -13.721 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.760 -10.246 -13.668 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.632 -9.266 -15.710 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.380 -10.417 -16.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.266 -8.259 -17.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.836 -8.665 -16.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.884 -7.497 -15.863 1.00 0.00 H new ATOM 875 N GLY A 56 3.107 -10.121 -10.702 1.00 0.00 N ATOM 876 CA GLY A 56 2.633 -10.181 -9.336 1.00 0.00 C ATOM 877 C GLY A 56 1.353 -9.400 -9.135 1.00 0.00 C ATOM 878 O GLY A 56 0.888 -8.704 -10.046 1.00 0.00 O ATOM 0 H GLY A 56 2.406 -9.841 -11.388 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.468 -11.222 -9.057 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.402 -9.790 -8.670 1.00 0.00 H new ATOM 882 N LEU A 57 0.781 -9.522 -7.944 1.00 0.00 N ATOM 883 CA LEU A 57 -0.435 -8.810 -7.592 1.00 0.00 C ATOM 884 C LEU A 57 -0.112 -7.380 -7.183 1.00 0.00 C ATOM 885 O LEU A 57 0.932 -7.117 -6.587 1.00 0.00 O ATOM 886 CB LEU A 57 -1.149 -9.529 -6.446 1.00 0.00 C ATOM 887 CG LEU A 57 -1.633 -10.946 -6.760 1.00 0.00 C ATOM 888 CD1 LEU A 57 -2.260 -11.579 -5.526 1.00 0.00 C ATOM 889 CD2 LEU A 57 -2.625 -10.927 -7.914 1.00 0.00 C ATOM 0 H LEU A 57 1.147 -10.115 -7.199 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.090 -8.787 -8.463 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.474 -9.575 -5.592 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.007 -8.929 -6.142 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.773 -11.547 -7.056 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.599 -12.587 -5.766 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.521 -11.626 -4.726 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.109 -10.978 -5.201 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.959 -11.943 -8.124 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.483 -10.311 -7.646 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.144 -10.513 -8.800 1.00 0.00 H new ATOM 901 N SER A 58 -1.009 -6.462 -7.498 1.00 0.00 N ATOM 902 CA SER A 58 -0.805 -5.057 -7.213 1.00 0.00 C ATOM 903 C SER A 58 -2.130 -4.398 -6.841 1.00 0.00 C ATOM 904 O SER A 58 -3.191 -5.008 -6.978 1.00 0.00 O ATOM 905 CB SER A 58 -0.189 -4.366 -8.428 1.00 0.00 C ATOM 906 OG SER A 58 0.894 -5.121 -8.948 1.00 0.00 O ATOM 0 H SER A 58 -1.896 -6.671 -7.957 1.00 0.00 H new ATOM 0 HA SER A 58 -0.122 -4.960 -6.369 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.948 -4.234 -9.199 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.158 -3.371 -8.148 1.00 0.00 H new ATOM 0 HG SER A 58 1.646 -4.523 -9.142 1.00 0.00 H new ATOM 912 N ALA A 59 -2.072 -3.177 -6.337 1.00 0.00 N ATOM 913 CA ALA A 59 -3.279 -2.461 -5.953 1.00 0.00 C ATOM 914 C ALA A 59 -3.143 -0.967 -6.228 1.00 0.00 C ATOM 915 O ALA A 59 -2.034 -0.436 -6.265 1.00 0.00 O ATOM 916 CB ALA A 59 -3.584 -2.706 -4.487 1.00 0.00 C ATOM 0 H ALA A 59 -1.205 -2.661 -6.184 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.106 -2.837 -6.555 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.489 -2.166 -4.208 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.732 -3.773 -4.319 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.751 -2.355 -3.878 1.00 0.00 H new ATOM 922 N TYR A 60 -4.273 -0.300 -6.423 1.00 0.00 N ATOM 923 CA TYR A 60 -4.282 1.134 -6.675 1.00 0.00 C ATOM 924 C TYR A 60 -5.370 1.808 -5.858 1.00 0.00 C ATOM 925 O TYR A 60 -6.120 1.137 -5.141 1.00 0.00 O ATOM 926 CB TYR A 60 -4.484 1.437 -8.165 1.00 0.00 C ATOM 927 CG TYR A 60 -5.748 0.843 -8.761 1.00 0.00 C ATOM 928 CD1 TYR A 60 -6.963 1.508 -8.669 1.00 0.00 C ATOM 929 CD2 TYR A 60 -5.721 -0.380 -9.422 1.00 0.00 C ATOM 930 CE1 TYR A 60 -8.115 0.976 -9.215 1.00 0.00 C ATOM 931 CE2 TYR A 60 -6.869 -0.920 -9.971 1.00 0.00 C ATOM 932 CZ TYR A 60 -8.063 -0.240 -9.864 1.00 0.00 C ATOM 933 OH TYR A 60 -9.210 -0.771 -10.416 1.00 0.00 O ATOM 0 H TYR A 60 -5.197 -0.731 -6.411 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.312 1.530 -6.375 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.505 2.518 -8.304 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.624 1.061 -8.719 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.009 2.460 -8.161 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.788 -0.917 -9.508 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -9.051 1.509 -9.134 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.830 -1.871 -10.482 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.002 -1.631 -10.837 1.00 0.00 H new ATOM 943 N ALA A 61 -5.458 3.130 -5.996 1.00 0.00 N ATOM 944 CA ALA A 61 -6.407 3.941 -5.237 1.00 0.00 C ATOM 945 C ALA A 61 -6.251 3.676 -3.746 1.00 0.00 C ATOM 946 O ALA A 61 -7.221 3.399 -3.039 1.00 0.00 O ATOM 947 CB ALA A 61 -7.836 3.674 -5.693 1.00 0.00 C ATOM 0 H ALA A 61 -4.874 3.668 -6.636 1.00 0.00 H new ATOM 0 HA ALA A 61 -6.191 4.993 -5.424 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.524 4.289 -5.113 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.932 3.920 -6.751 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.075 2.621 -5.542 1.00 0.00 H new ATOM 953 N VAL A 62 -5.011 3.758 -3.285 1.00 0.00 N ATOM 954 CA VAL A 62 -4.680 3.427 -1.912 1.00 0.00 C ATOM 955 C VAL A 62 -4.854 4.632 -1.002 1.00 0.00 C ATOM 956 O VAL A 62 -4.130 5.619 -1.127 1.00 0.00 O ATOM 957 CB VAL A 62 -3.227 2.930 -1.804 1.00 0.00 C ATOM 958 CG1 VAL A 62 -2.951 2.348 -0.426 1.00 0.00 C ATOM 959 CG2 VAL A 62 -2.926 1.914 -2.893 1.00 0.00 C ATOM 0 H VAL A 62 -4.214 4.054 -3.849 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.361 2.636 -1.597 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.565 3.785 -1.944 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.918 2.004 -0.376 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -3.115 3.114 0.332 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.622 1.508 -0.245 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.894 1.575 -2.799 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.598 1.062 -2.792 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.069 2.375 -3.870 1.00 0.00 H new ATOM 969 N LYS A 63 -5.824 4.557 -0.106 1.00 0.00 N ATOM 970 CA LYS A 63 -6.030 5.596 0.881 1.00 0.00 C ATOM 971 C LYS A 63 -5.433 5.170 2.210 1.00 0.00 C ATOM 972 O LYS A 63 -5.883 4.196 2.820 1.00 0.00 O ATOM 973 CB LYS A 63 -7.514 5.906 1.073 1.00 0.00 C ATOM 974 CG LYS A 63 -8.169 6.641 -0.090 1.00 0.00 C ATOM 975 CD LYS A 63 -8.452 5.716 -1.267 1.00 0.00 C ATOM 976 CE LYS A 63 -9.317 4.530 -0.861 1.00 0.00 C ATOM 977 NZ LYS A 63 -10.683 4.945 -0.445 1.00 0.00 N ATOM 0 H LYS A 63 -6.483 3.781 -0.044 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.536 6.498 0.519 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.048 4.970 1.240 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.632 6.505 1.976 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.102 7.094 0.247 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.520 7.454 -0.416 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.952 6.276 -2.057 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.510 5.354 -1.679 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.390 3.833 -1.696 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.836 3.996 -0.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.251 4.101 -0.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.620 5.548 0.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.135 5.476 -1.217 1.00 0.00 H new ATOM 991 N VAL A 64 -4.412 5.888 2.637 1.00 0.00 N ATOM 992 CA VAL A 64 -3.777 5.637 3.920 1.00 0.00 C ATOM 993 C VAL A 64 -4.704 6.066 5.048 1.00 0.00 C ATOM 994 O VAL A 64 -5.259 7.165 5.013 1.00 0.00 O ATOM 995 CB VAL A 64 -2.434 6.394 4.043 1.00 0.00 C ATOM 996 CG1 VAL A 64 -1.735 6.057 5.352 1.00 0.00 C ATOM 997 CG2 VAL A 64 -1.528 6.087 2.858 1.00 0.00 C ATOM 0 H VAL A 64 -4.000 6.658 2.109 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.576 4.568 3.990 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.652 7.462 4.040 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.793 6.603 5.413 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.373 6.341 6.189 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.537 4.986 5.393 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.590 6.631 2.967 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.325 5.017 2.823 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.020 6.394 1.935 1.00 0.00 H new ATOM 1007 N VAL A 65 -4.884 5.194 6.028 1.00 0.00 N ATOM 1008 CA VAL A 65 -5.754 5.475 7.159 1.00 0.00 C ATOM 1009 C VAL A 65 -4.933 5.698 8.429 1.00 0.00 C ATOM 1010 O VAL A 65 -4.653 4.757 9.174 1.00 0.00 O ATOM 1011 CB VAL A 65 -6.774 4.339 7.393 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -7.741 4.703 8.509 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -7.531 4.021 6.112 1.00 0.00 C ATOM 0 H VAL A 65 -4.435 4.279 6.062 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.306 6.384 6.921 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.224 3.448 7.695 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.450 3.888 8.656 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.185 4.871 9.431 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.282 5.611 8.240 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.244 3.218 6.300 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.066 4.909 5.775 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.827 3.707 5.341 1.00 0.00 H new ATOM 1023 N PRO A 66 -4.488 6.943 8.667 1.00 0.00 N ATOM 1024 CA PRO A 66 -3.712 7.282 9.852 1.00 0.00 C ATOM 1025 C PRO A 66 -4.599 7.440 11.081 1.00 0.00 C ATOM 1026 O PRO A 66 -5.800 7.699 10.968 1.00 0.00 O ATOM 1027 CB PRO A 66 -3.063 8.614 9.478 1.00 0.00 C ATOM 1028 CG PRO A 66 -4.026 9.249 8.535 1.00 0.00 C ATOM 1029 CD PRO A 66 -4.719 8.122 7.808 1.00 0.00 C ATOM 0 HA PRO A 66 -2.992 6.507 10.115 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.900 9.237 10.358 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.090 8.464 9.010 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.747 9.865 9.073 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.508 9.903 7.833 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.783 8.322 7.684 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.304 7.976 6.811 1.00 0.00 H new ATOM 1037 N LEU A 67 -4.006 7.296 12.251 1.00 0.00 N ATOM 1038 CA LEU A 67 -4.749 7.374 13.501 1.00 0.00 C ATOM 1039 C LEU A 67 -4.761 8.797 14.048 1.00 0.00 C ATOM 1040 O LEU A 67 -5.080 9.018 15.215 1.00 0.00 O ATOM 1041 CB LEU A 67 -4.145 6.421 14.536 1.00 0.00 C ATOM 1042 CG LEU A 67 -4.167 4.940 14.150 1.00 0.00 C ATOM 1043 CD1 LEU A 67 -3.505 4.100 15.231 1.00 0.00 C ATOM 1044 CD2 LEU A 67 -5.592 4.470 13.904 1.00 0.00 C ATOM 0 H LEU A 67 -3.007 7.123 12.365 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.778 7.079 13.299 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.112 6.717 14.719 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.683 6.543 15.476 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.604 4.817 13.225 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.529 3.050 14.941 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.470 4.418 15.356 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.041 4.229 16.171 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.585 3.415 13.631 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.182 4.606 14.811 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.032 5.051 13.094 1.00 0.00 H new ATOM 1056 N GLU A 68 -4.430 9.763 13.203 1.00 0.00 N ATOM 1057 CA GLU A 68 -4.414 11.157 13.616 1.00 0.00 C ATOM 1058 C GLU A 68 -4.765 12.060 12.438 1.00 0.00 C ATOM 1059 O GLU A 68 -3.924 12.821 11.971 1.00 0.00 O ATOM 1060 CB GLU A 68 -3.035 11.525 14.183 1.00 0.00 C ATOM 1061 CG GLU A 68 -3.059 12.643 15.223 1.00 0.00 C ATOM 1062 CD GLU A 68 -3.446 13.999 14.661 1.00 0.00 C ATOM 1063 OE1 GLU A 68 -4.655 14.300 14.595 1.00 0.00 O ATOM 1064 OE2 GLU A 68 -2.540 14.777 14.296 1.00 0.00 O ATOM 0 H GLU A 68 -4.170 9.607 12.229 1.00 0.00 H new ATOM 0 HA GLU A 68 -5.160 11.301 14.397 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.591 10.637 14.632 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.385 11.824 13.360 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.760 12.375 16.014 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.074 12.719 15.683 1.00 0.00 H new ATOM 1071 N HIS A 69 -6.003 11.929 11.951 1.00 0.00 N ATOM 1072 CA HIS A 69 -6.548 12.775 10.876 1.00 0.00 C ATOM 1073 C HIS A 69 -5.544 13.005 9.742 1.00 0.00 C ATOM 1074 O HIS A 69 -5.383 12.157 8.864 1.00 0.00 O ATOM 1075 CB HIS A 69 -7.021 14.121 11.439 1.00 0.00 C ATOM 1076 CG HIS A 69 -8.128 14.004 12.440 1.00 0.00 C ATOM 1077 ND1 HIS A 69 -8.045 14.528 13.712 1.00 0.00 N ATOM 1078 CD2 HIS A 69 -9.352 13.432 12.353 1.00 0.00 C ATOM 1079 CE1 HIS A 69 -9.165 14.283 14.362 1.00 0.00 C ATOM 1080 NE2 HIS A 69 -9.975 13.621 13.561 1.00 0.00 N ATOM 0 H HIS A 69 -6.662 11.229 12.292 1.00 0.00 H new ATOM 0 HA HIS A 69 -7.397 12.238 10.453 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -6.175 14.626 11.905 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -7.355 14.751 10.615 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -9.762 12.922 11.493 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -9.382 14.575 15.379 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -10.913 13.301 13.800 1.00 0.00 H new ATOM 1089 N HIS A 70 -4.886 14.169 9.774 1.00 0.00 N ATOM 1090 CA HIS A 70 -3.799 14.506 8.850 1.00 0.00 C ATOM 1091 C HIS A 70 -4.236 14.530 7.390 1.00 0.00 C ATOM 1092 O HIS A 70 -3.416 14.350 6.493 1.00 0.00 O ATOM 1093 CB HIS A 70 -2.615 13.555 9.028 1.00 0.00 C ATOM 1094 CG HIS A 70 -1.556 14.095 9.941 1.00 0.00 C ATOM 1095 ND1 HIS A 70 -1.651 14.054 11.312 1.00 0.00 N ATOM 1096 CD2 HIS A 70 -0.376 14.700 9.667 1.00 0.00 C ATOM 1097 CE1 HIS A 70 -0.576 14.608 11.843 1.00 0.00 C ATOM 1098 NE2 HIS A 70 0.213 15.007 10.867 1.00 0.00 N ATOM 0 H HIS A 70 -5.094 14.908 10.446 1.00 0.00 H new ATOM 0 HA HIS A 70 -3.491 15.520 9.106 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -2.976 12.605 9.423 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -2.174 13.348 8.053 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -2.430 13.657 11.837 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.027 14.903 8.686 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.378 14.716 12.899 1.00 0.00 H new ATOM 1107 N HIS A 71 -5.513 14.787 7.143 1.00 0.00 N ATOM 1108 CA HIS A 71 -5.978 14.991 5.779 1.00 0.00 C ATOM 1109 C HIS A 71 -5.471 16.341 5.277 1.00 0.00 C ATOM 1110 O HIS A 71 -5.298 16.556 4.076 1.00 0.00 O ATOM 1111 CB HIS A 71 -7.511 14.921 5.699 1.00 0.00 C ATOM 1112 CG HIS A 71 -8.055 15.101 4.310 1.00 0.00 C ATOM 1113 ND1 HIS A 71 -8.282 14.052 3.448 1.00 0.00 N ATOM 1114 CD2 HIS A 71 -8.401 16.221 3.630 1.00 0.00 C ATOM 1115 CE1 HIS A 71 -8.739 14.518 2.303 1.00 0.00 C ATOM 1116 NE2 HIS A 71 -8.821 15.829 2.384 1.00 0.00 N ATOM 0 H HIS A 71 -6.236 14.858 7.858 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.584 14.196 5.146 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -7.842 13.958 6.087 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -7.935 15.688 6.347 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -8.355 17.234 4.000 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -9.002 13.923 1.441 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -9.144 16.451 1.643 1.00 0.00 H new ATOM 1125 N HIS A 72 -5.211 17.241 6.218 1.00 0.00 N ATOM 1126 CA HIS A 72 -4.689 18.560 5.903 1.00 0.00 C ATOM 1127 C HIS A 72 -3.216 18.661 6.296 1.00 0.00 C ATOM 1128 O HIS A 72 -2.881 18.815 7.471 1.00 0.00 O ATOM 1129 CB HIS A 72 -5.518 19.641 6.618 1.00 0.00 C ATOM 1130 CG HIS A 72 -4.975 21.034 6.475 1.00 0.00 C ATOM 1131 ND1 HIS A 72 -5.257 21.853 5.403 1.00 0.00 N ATOM 1132 CD2 HIS A 72 -4.162 21.751 7.288 1.00 0.00 C ATOM 1133 CE1 HIS A 72 -4.640 23.010 5.564 1.00 0.00 C ATOM 1134 NE2 HIS A 72 -3.969 22.973 6.698 1.00 0.00 N ATOM 0 H HIS A 72 -5.356 17.076 7.214 1.00 0.00 H new ATOM 0 HA HIS A 72 -4.765 18.719 4.827 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -6.536 19.619 6.228 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -5.578 19.394 7.678 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -3.743 21.421 8.227 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -4.679 23.846 4.881 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -3.399 23.730 7.075 1.00 0.00 H new ATOM 1143 N HIS A 73 -2.339 18.543 5.307 1.00 0.00 N ATOM 1144 CA HIS A 73 -0.914 18.763 5.524 1.00 0.00 C ATOM 1145 C HIS A 73 -0.467 19.993 4.738 1.00 0.00 C ATOM 1146 O HIS A 73 0.665 20.460 4.865 1.00 0.00 O ATOM 1147 CB HIS A 73 -0.103 17.524 5.116 1.00 0.00 C ATOM 1148 CG HIS A 73 1.356 17.600 5.472 1.00 0.00 C ATOM 1149 ND1 HIS A 73 2.342 17.008 4.716 1.00 0.00 N ATOM 1150 CD2 HIS A 73 1.995 18.197 6.511 1.00 0.00 C ATOM 1151 CE1 HIS A 73 3.518 17.236 5.265 1.00 0.00 C ATOM 1152 NE2 HIS A 73 3.338 17.956 6.356 1.00 0.00 N ATOM 0 H HIS A 73 -2.588 18.297 4.349 1.00 0.00 H new ATOM 0 HA HIS A 73 -0.735 18.936 6.585 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.537 16.646 5.594 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -0.196 17.380 4.040 1.00 0.00 H new ATOM 0 HD1 HIS A 73 2.186 16.474 3.861 1.00 0.00 H new ATOM 0 HD2 HIS A 73 1.533 18.757 7.310 1.00 0.00 H new ATOM 0 HE1 HIS A 73 4.469 16.892 4.886 1.00 0.00 H new ATOM 1161 N HIS A 74 -1.376 20.505 3.919 1.00 0.00 N ATOM 1162 CA HIS A 74 -1.144 21.730 3.176 1.00 0.00 C ATOM 1163 C HIS A 74 -2.482 22.397 2.894 1.00 0.00 C ATOM 1164 O HIS A 74 -3.438 21.668 2.553 1.00 0.00 O ATOM 1165 CB HIS A 74 -0.380 21.464 1.867 1.00 0.00 C ATOM 1166 CG HIS A 74 -1.163 20.733 0.816 1.00 0.00 C ATOM 1167 ND1 HIS A 74 -1.907 21.378 -0.149 1.00 0.00 N ATOM 1168 CD2 HIS A 74 -1.310 19.408 0.574 1.00 0.00 C ATOM 1169 CE1 HIS A 74 -2.475 20.485 -0.935 1.00 0.00 C ATOM 1170 NE2 HIS A 74 -2.128 19.284 -0.519 1.00 0.00 N ATOM 1171 OXT HIS A 74 -2.581 23.631 3.024 1.00 0.00 O ATOM 0 H HIS A 74 -2.290 20.083 3.753 1.00 0.00 H new ATOM 0 HA HIS A 74 -0.522 22.393 3.777 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -0.050 22.418 1.456 1.00 0.00 H new ATOM 0 HB3 HIS A 74 0.517 20.889 2.097 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -0.866 18.600 1.137 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -3.116 20.701 -1.777 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -2.421 18.403 -0.942 1.00 0.00 H new TER 1180 HIS A 74