USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 864 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 34 THR OG1 : rot -140:sc= 0 USER MOD Set 1.2: A 38 CYS SG : rot -143:sc= 1.04 USER MOD Set 1.3: A 41 CYS SG : rot -131:sc= -0.36 USER MOD Set 2.1: A 9 CYS SG : rot 68:sc= -1.14 USER MOD Set 2.2: A 14 THR OG1 : rot 120:sc= 0.0525 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.245 X(o=-0.24,f=-0.023) USER MOD Single : A 11 THR OG1 : rot 132:sc= 0.103 USER MOD Single : A 16 LYS NZ :NH3+ 175:sc= 0.00389 (180deg=0.00357) USER MOD Single : A 18 HIS : no HD1:sc= -0.727 X(o=-0.73,f=-0.85) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0319) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.471 K(o=-0.47,f=-5.3!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 MET CE :methyl 162:sc= -1.14 (180deg=-1.46) USER MOD Single : A 82 THR OG1 : rot -170:sc= -0.121 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 14:sc= 0.612 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.0276 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 28 N GLU A 3 -9.147 7.030 11.662 1.00 0.00 N ATOM 29 CA GLU A 3 -7.829 6.716 11.126 1.00 0.00 C ATOM 30 C GLU A 3 -7.896 5.509 10.071 1.00 0.00 C ATOM 31 O GLU A 3 -8.845 4.694 10.093 1.00 0.00 O ATOM 32 CB GLU A 3 -6.812 6.278 12.225 1.00 0.00 C ATOM 33 CG GLU A 3 -7.199 5.148 13.157 1.00 0.00 C ATOM 34 CD GLU A 3 -6.402 5.008 14.454 1.00 0.00 C ATOM 35 OE1 GLU A 3 -6.185 5.877 15.242 1.00 0.00 O ATOM 36 OE2 GLU A 3 -6.000 3.695 14.687 1.00 0.00 O ATOM 0 HA GLU A 3 -7.496 7.641 10.656 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.886 5.994 11.726 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -6.589 7.152 12.838 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -8.250 5.270 13.418 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -7.114 4.211 12.606 1.00 0.00 H new ATOM 44 N GLY A 4 -6.866 5.541 9.226 1.00 0.00 N ATOM 45 CA GLY A 4 -6.468 4.433 8.351 1.00 0.00 C ATOM 46 C GLY A 4 -5.899 3.273 9.219 1.00 0.00 C ATOM 47 O GLY A 4 -5.446 3.385 10.370 1.00 0.00 O ATOM 0 H GLY A 4 -6.267 6.361 9.127 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.324 4.085 7.773 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.717 4.770 7.636 1.00 0.00 H new ATOM 51 N GLN A 5 -5.942 2.072 8.622 1.00 0.00 N ATOM 52 CA GLN A 5 -5.759 0.738 9.257 1.00 0.00 C ATOM 53 C GLN A 5 -4.833 0.016 8.261 1.00 0.00 C ATOM 54 O GLN A 5 -5.182 -0.209 7.085 1.00 0.00 O ATOM 55 CB GLN A 5 -7.119 0.084 9.646 1.00 0.00 C ATOM 56 CG GLN A 5 -7.952 -0.558 8.604 1.00 0.00 C ATOM 57 CD GLN A 5 -9.290 -1.058 9.076 1.00 0.00 C ATOM 58 OE1 GLN A 5 -9.397 -2.101 9.670 1.00 0.00 O ATOM 59 NE2 GLN A 5 -10.348 -0.300 8.907 1.00 0.00 N ATOM 0 H GLN A 5 -6.116 1.991 7.620 1.00 0.00 H new ATOM 0 HA GLN A 5 -5.289 0.729 10.240 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.912 -0.669 10.406 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -7.727 0.855 10.119 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -8.113 0.157 7.797 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -7.397 -1.396 8.182 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -10.267 0.584 8.406 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -11.251 -0.595 9.277 1.00 0.00 H new ATOM 68 N VAL A 6 -3.597 -0.218 8.704 1.00 0.00 N ATOM 69 CA VAL A 6 -2.578 -1.193 8.125 1.00 0.00 C ATOM 70 C VAL A 6 -2.926 -2.658 8.593 1.00 0.00 C ATOM 71 O VAL A 6 -2.723 -3.022 9.751 1.00 0.00 O ATOM 72 CB VAL A 6 -1.097 -0.722 8.409 1.00 0.00 C ATOM 73 CG1 VAL A 6 -0.108 -1.397 7.481 1.00 0.00 C ATOM 74 CG2 VAL A 6 -0.841 0.818 8.408 1.00 0.00 C ATOM 0 H VAL A 6 -3.228 0.275 9.517 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.639 -1.204 7.037 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.940 -1.038 9.440 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.900 -1.048 7.707 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.157 -2.477 7.620 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.354 -1.153 6.448 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.211 1.012 8.615 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.101 1.229 7.433 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.454 1.289 9.176 1.00 0.00 H new ATOM 84 N ILE A 7 -3.246 -3.461 7.562 1.00 0.00 N ATOM 85 CA ILE A 7 -3.661 -4.898 7.617 1.00 0.00 C ATOM 86 C ILE A 7 -2.578 -5.634 6.754 1.00 0.00 C ATOM 87 O ILE A 7 -2.536 -5.486 5.517 1.00 0.00 O ATOM 88 CB ILE A 7 -5.154 -5.024 7.273 1.00 0.00 C ATOM 89 CG1 ILE A 7 -5.912 -6.215 7.972 1.00 0.00 C ATOM 90 CG2 ILE A 7 -5.525 -4.870 5.793 1.00 0.00 C ATOM 91 CD1 ILE A 7 -5.428 -7.642 7.713 1.00 0.00 C ATOM 0 H ILE A 7 -3.224 -3.114 6.603 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.657 -5.389 8.590 1.00 0.00 H new ATOM 0 HB ILE A 7 -5.545 -4.121 7.742 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.877 -6.044 9.048 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -6.959 -6.161 7.674 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -6.603 -4.978 5.675 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -5.219 -3.885 5.442 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.017 -5.637 5.209 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.053 -8.344 8.265 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.492 -7.860 6.647 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.394 -7.741 8.042 1.00 0.00 H new ATOM 103 N ALA A 8 -1.961 -6.690 7.361 1.00 0.00 N ATOM 104 CA ALA A 8 -1.104 -7.711 6.761 1.00 0.00 C ATOM 105 C ALA A 8 -1.846 -8.791 5.922 1.00 0.00 C ATOM 106 O ALA A 8 -2.991 -9.111 6.216 1.00 0.00 O ATOM 107 CB ALA A 8 -0.503 -8.383 7.966 1.00 0.00 C ATOM 0 H ALA A 8 -2.071 -6.845 8.363 1.00 0.00 H new ATOM 0 HA ALA A 8 -0.410 -7.249 6.059 1.00 0.00 H new ATOM 0 HB1 ALA A 8 0.168 -9.179 7.642 1.00 0.00 H new ATOM 0 HB2 ALA A 8 0.056 -7.652 8.549 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -1.297 -8.806 8.581 1.00 0.00 H new ATOM 113 N CYS A 9 -1.118 -9.292 4.888 1.00 0.00 N ATOM 114 CA CYS A 9 -1.771 -9.988 3.746 1.00 0.00 C ATOM 115 C CYS A 9 -0.903 -11.111 3.005 1.00 0.00 C ATOM 116 O CYS A 9 0.347 -10.995 2.849 1.00 0.00 O ATOM 117 CB CYS A 9 -2.117 -8.906 2.747 1.00 0.00 C ATOM 118 SG CYS A 9 -3.298 -7.621 3.295 1.00 0.00 S ATOM 0 H CYS A 9 -0.102 -9.230 4.821 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.624 -10.534 4.149 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.193 -8.412 2.448 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.525 -9.384 1.857 1.00 0.00 H new ATOM 0 HG CYS A 9 -2.749 -6.895 4.223 1.00 0.00 H new ATOM 124 N HIS A 10 -1.556 -12.184 2.533 1.00 0.00 N ATOM 125 CA HIS A 10 -1.001 -13.531 2.454 1.00 0.00 C ATOM 126 C HIS A 10 -1.387 -14.343 1.192 1.00 0.00 C ATOM 127 O HIS A 10 -0.542 -15.119 0.702 1.00 0.00 O ATOM 128 CB HIS A 10 -1.405 -14.372 3.720 1.00 0.00 C ATOM 129 CG HIS A 10 -1.037 -13.726 5.052 1.00 0.00 C ATOM 130 ND1 HIS A 10 -1.904 -13.147 5.925 1.00 0.00 N ATOM 131 CD2 HIS A 10 0.259 -13.834 5.621 1.00 0.00 C ATOM 132 CE1 HIS A 10 -1.033 -12.872 6.993 1.00 0.00 C ATOM 133 NE2 HIS A 10 0.306 -13.246 6.892 1.00 0.00 N ATOM 0 H HIS A 10 -2.514 -12.129 2.187 1.00 0.00 H new ATOM 0 HA HIS A 10 0.075 -13.366 2.400 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -2.481 -14.543 3.699 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -0.926 -15.349 3.660 1.00 0.00 H new ATOM 0 HD2 HIS A 10 1.100 -14.308 5.137 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -1.397 -12.377 7.881 1.00 0.00 H new ATOM 0 HE2 HIS A 10 1.082 -13.128 7.543 1.00 0.00 H new ATOM 141 N THR A 11 -2.700 -14.293 0.756 1.00 0.00 N ATOM 142 CA THR A 11 -3.354 -15.231 -0.178 1.00 0.00 C ATOM 143 C THR A 11 -4.407 -14.478 -1.090 1.00 0.00 C ATOM 144 O THR A 11 -4.500 -13.236 -1.120 1.00 0.00 O ATOM 145 CB THR A 11 -4.189 -16.281 0.712 1.00 0.00 C ATOM 146 OG1 THR A 11 -5.190 -15.613 1.518 1.00 0.00 O ATOM 147 CG2 THR A 11 -3.370 -17.299 1.521 1.00 0.00 C ATOM 0 H THR A 11 -3.337 -13.561 1.071 1.00 0.00 H new ATOM 0 HA THR A 11 -2.595 -15.701 -0.803 1.00 0.00 H new ATOM 0 HB THR A 11 -4.690 -16.908 -0.025 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.049 -16.075 1.422 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.045 -17.949 2.077 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.764 -17.900 0.843 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.719 -16.771 2.218 1.00 0.00 H new ATOM 155 N VAL A 12 -5.245 -15.240 -1.849 1.00 0.00 N ATOM 156 CA VAL A 12 -6.488 -14.734 -2.517 1.00 0.00 C ATOM 157 C VAL A 12 -7.465 -13.893 -1.654 1.00 0.00 C ATOM 158 O VAL A 12 -8.187 -13.054 -2.150 1.00 0.00 O ATOM 159 CB VAL A 12 -7.178 -15.909 -3.339 1.00 0.00 C ATOM 160 CG1 VAL A 12 -7.801 -16.986 -2.421 1.00 0.00 C ATOM 161 CG2 VAL A 12 -8.151 -15.355 -4.403 1.00 0.00 C ATOM 0 H VAL A 12 -5.078 -16.232 -2.018 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.151 -13.967 -3.214 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.396 -16.432 -3.889 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.258 -17.764 -3.032 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.024 -17.425 -1.796 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.561 -16.529 -1.787 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.605 -16.183 -4.947 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.930 -14.771 -3.914 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.605 -14.720 -5.100 1.00 0.00 H new ATOM 171 N ASP A 13 -7.444 -14.056 -0.311 1.00 0.00 N ATOM 172 CA ASP A 13 -8.090 -13.086 0.597 1.00 0.00 C ATOM 173 C ASP A 13 -7.718 -11.561 0.515 1.00 0.00 C ATOM 174 O ASP A 13 -8.644 -10.769 0.565 1.00 0.00 O ATOM 175 CB ASP A 13 -7.987 -13.534 2.055 1.00 0.00 C ATOM 176 CG ASP A 13 -8.727 -14.818 2.365 1.00 0.00 C ATOM 177 OD1 ASP A 13 -8.203 -15.888 1.973 1.00 0.00 O ATOM 178 OD2 ASP A 13 -9.872 -14.710 3.086 1.00 0.00 O ATOM 0 H ASP A 13 -6.993 -14.840 0.161 1.00 0.00 H new ATOM 0 HA ASP A 13 -9.106 -13.114 0.204 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.935 -13.664 2.310 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.374 -12.741 2.695 1.00 0.00 H new ATOM 184 N THR A 14 -6.469 -11.201 0.318 1.00 0.00 N ATOM 185 CA THR A 14 -6.118 -9.847 -0.208 1.00 0.00 C ATOM 186 C THR A 14 -6.642 -9.403 -1.582 1.00 0.00 C ATOM 187 O THR A 14 -6.895 -8.195 -1.796 1.00 0.00 O ATOM 188 CB THR A 14 -4.638 -9.516 0.009 1.00 0.00 C ATOM 189 OG1 THR A 14 -4.455 -8.105 0.034 1.00 0.00 O ATOM 190 CG2 THR A 14 -3.706 -10.048 -1.109 1.00 0.00 C ATOM 0 H THR A 14 -5.666 -11.802 0.504 1.00 0.00 H new ATOM 0 HA THR A 14 -6.736 -9.212 0.427 1.00 0.00 H new ATOM 0 HB THR A 14 -4.375 -9.997 0.951 1.00 0.00 H new ATOM 0 HG1 THR A 14 -4.081 -7.839 0.900 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.675 -9.774 -0.884 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.789 -11.133 -1.166 1.00 0.00 H new ATOM 0 HG23 THR A 14 -3.998 -9.611 -2.064 1.00 0.00 H new ATOM 198 N TRP A 15 -6.776 -10.311 -2.609 1.00 0.00 N ATOM 199 CA TRP A 15 -7.580 -10.046 -3.784 1.00 0.00 C ATOM 200 C TRP A 15 -8.995 -9.542 -3.506 1.00 0.00 C ATOM 201 O TRP A 15 -9.452 -8.564 -4.139 1.00 0.00 O ATOM 202 CB TRP A 15 -7.666 -11.263 -4.757 1.00 0.00 C ATOM 203 CG TRP A 15 -6.690 -11.302 -5.835 1.00 0.00 C ATOM 204 CD1 TRP A 15 -5.339 -11.716 -5.802 1.00 0.00 C ATOM 205 CD2 TRP A 15 -6.809 -10.688 -7.108 1.00 0.00 C ATOM 206 NE1 TRP A 15 -4.638 -11.416 -6.939 1.00 0.00 N ATOM 207 CE2 TRP A 15 -5.544 -10.760 -7.748 1.00 0.00 C ATOM 208 CE3 TRP A 15 -7.851 -9.920 -7.681 1.00 0.00 C ATOM 209 CZ2 TRP A 15 -5.355 -10.167 -9.006 1.00 0.00 C ATOM 210 CZ3 TRP A 15 -7.631 -9.349 -8.933 1.00 0.00 C ATOM 211 CH2 TRP A 15 -6.375 -9.375 -9.552 1.00 0.00 C ATOM 0 H TRP A 15 -6.323 -11.225 -2.614 1.00 0.00 H new ATOM 0 HA TRP A 15 -7.032 -9.232 -4.259 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -7.564 -12.176 -4.171 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -8.663 -11.277 -5.198 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -4.899 -12.223 -4.956 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -3.662 -11.630 -7.143 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -8.789 -9.781 -7.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -4.433 -10.319 -9.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -8.455 -8.871 -9.442 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -6.194 -8.790 -10.442 1.00 0.00 H new ATOM 222 N LYS A 16 -9.699 -10.132 -2.566 1.00 0.00 N ATOM 223 CA LYS A 16 -10.946 -9.567 -2.003 1.00 0.00 C ATOM 224 C LYS A 16 -10.767 -8.169 -1.392 1.00 0.00 C ATOM 225 O LYS A 16 -11.412 -7.249 -1.829 1.00 0.00 O ATOM 226 CB LYS A 16 -11.736 -10.458 -1.004 1.00 0.00 C ATOM 227 CG LYS A 16 -12.311 -11.829 -1.496 1.00 0.00 C ATOM 228 CD LYS A 16 -12.971 -12.767 -0.423 1.00 0.00 C ATOM 229 CE LYS A 16 -11.989 -13.266 0.610 1.00 0.00 C ATOM 230 NZ LYS A 16 -12.744 -13.832 1.708 1.00 0.00 N ATOM 0 H LYS A 16 -9.435 -11.027 -2.154 1.00 0.00 H new ATOM 0 HA LYS A 16 -11.560 -9.506 -2.902 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.081 -10.661 -0.157 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -12.571 -9.868 -0.627 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -13.054 -11.625 -2.267 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.501 -12.381 -1.973 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.774 -12.227 0.079 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -13.426 -13.621 -0.926 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.327 -14.016 0.176 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.358 -12.450 0.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.090 -14.259 2.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.294 -13.082 2.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.390 -14.561 1.345 1.00 0.00 H new ATOM 243 N GLU A 17 -9.860 -7.898 -0.411 1.00 0.00 N ATOM 244 CA GLU A 17 -9.580 -6.626 0.268 1.00 0.00 C ATOM 245 C GLU A 17 -9.087 -5.415 -0.673 1.00 0.00 C ATOM 246 O GLU A 17 -9.667 -4.344 -0.699 1.00 0.00 O ATOM 247 CB GLU A 17 -8.546 -6.825 1.429 1.00 0.00 C ATOM 248 CG GLU A 17 -9.043 -7.784 2.516 1.00 0.00 C ATOM 249 CD GLU A 17 -7.993 -7.770 3.546 1.00 0.00 C ATOM 250 OE1 GLU A 17 -7.079 -8.626 3.692 1.00 0.00 O ATOM 251 OE2 GLU A 17 -8.123 -6.714 4.363 1.00 0.00 O ATOM 0 H GLU A 17 -9.259 -8.640 -0.052 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.554 -6.323 0.652 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.612 -7.206 1.015 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.324 -5.858 1.880 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.000 -7.457 2.923 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.192 -8.788 2.118 1.00 0.00 H new ATOM 259 N HIS A 18 -7.927 -5.604 -1.358 1.00 0.00 N ATOM 260 CA HIS A 18 -7.349 -4.640 -2.324 1.00 0.00 C ATOM 261 C HIS A 18 -8.305 -4.099 -3.450 1.00 0.00 C ATOM 262 O HIS A 18 -8.728 -2.933 -3.477 1.00 0.00 O ATOM 263 CB HIS A 18 -6.016 -5.226 -2.883 1.00 0.00 C ATOM 264 CG HIS A 18 -5.190 -4.529 -3.900 1.00 0.00 C ATOM 265 ND1 HIS A 18 -5.590 -4.355 -5.198 1.00 0.00 N ATOM 266 CD2 HIS A 18 -4.052 -3.690 -3.643 1.00 0.00 C ATOM 267 CE1 HIS A 18 -4.633 -3.452 -5.691 1.00 0.00 C ATOM 268 NE2 HIS A 18 -3.671 -3.018 -4.844 1.00 0.00 N ATOM 0 H HIS A 18 -7.361 -6.446 -1.250 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.158 -3.728 -1.759 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.369 -5.397 -2.023 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.258 -6.204 -3.299 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.560 -3.584 -2.687 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.664 -3.114 -6.716 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.889 -2.385 -5.016 1.00 0.00 H new ATOM 276 N PHE A 19 -8.708 -5.049 -4.297 1.00 0.00 N ATOM 277 CA PHE A 19 -9.662 -4.801 -5.412 1.00 0.00 C ATOM 278 C PHE A 19 -11.113 -4.185 -5.200 1.00 0.00 C ATOM 279 O PHE A 19 -11.428 -3.164 -5.751 1.00 0.00 O ATOM 280 CB PHE A 19 -9.590 -6.096 -6.295 1.00 0.00 C ATOM 281 CG PHE A 19 -9.948 -5.920 -7.800 1.00 0.00 C ATOM 282 CD1 PHE A 19 -8.988 -5.353 -8.668 1.00 0.00 C ATOM 283 CD2 PHE A 19 -11.269 -6.148 -8.311 1.00 0.00 C ATOM 284 CE1 PHE A 19 -9.231 -5.152 -9.989 1.00 0.00 C ATOM 285 CE2 PHE A 19 -11.514 -5.880 -9.643 1.00 0.00 C ATOM 286 CZ PHE A 19 -10.538 -5.413 -10.492 1.00 0.00 C ATOM 0 H PHE A 19 -8.390 -6.016 -4.240 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.321 -3.886 -5.896 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -8.580 -6.501 -6.228 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -10.262 -6.840 -5.867 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -8.026 -5.069 -8.267 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.053 -6.521 -7.669 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.448 -4.801 -10.645 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -12.508 -6.043 -10.032 1.00 0.00 H new ATOM 0 HZ PHE A 19 -10.761 -5.245 -11.535 1.00 0.00 H new ATOM 296 N GLU A 20 -11.874 -4.865 -4.334 1.00 0.00 N ATOM 297 CA GLU A 20 -13.198 -4.464 -3.790 1.00 0.00 C ATOM 298 C GLU A 20 -13.352 -3.168 -2.894 1.00 0.00 C ATOM 299 O GLU A 20 -14.280 -2.396 -3.116 1.00 0.00 O ATOM 300 CB GLU A 20 -14.197 -5.591 -3.274 1.00 0.00 C ATOM 301 CG GLU A 20 -14.358 -6.812 -4.200 1.00 0.00 C ATOM 302 CD GLU A 20 -14.865 -6.561 -5.675 1.00 0.00 C ATOM 303 OE1 GLU A 20 -14.486 -7.171 -6.674 1.00 0.00 O ATOM 304 OE2 GLU A 20 -15.859 -5.653 -5.679 1.00 0.00 O ATOM 0 H GLU A 20 -11.572 -5.767 -3.965 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.514 -4.161 -4.788 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.852 -5.939 -2.300 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -15.178 -5.140 -3.123 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.393 -7.316 -4.259 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -15.050 -7.505 -3.722 1.00 0.00 H new ATOM 312 N LYS A 21 -12.367 -2.888 -2.007 1.00 0.00 N ATOM 313 CA LYS A 21 -12.146 -1.510 -1.511 1.00 0.00 C ATOM 314 C LYS A 21 -11.846 -0.464 -2.640 1.00 0.00 C ATOM 315 O LYS A 21 -12.760 0.323 -2.944 1.00 0.00 O ATOM 316 CB LYS A 21 -11.153 -1.348 -0.350 1.00 0.00 C ATOM 317 CG LYS A 21 -11.390 -2.201 0.940 1.00 0.00 C ATOM 318 CD LYS A 21 -12.530 -1.712 1.857 1.00 0.00 C ATOM 319 CE LYS A 21 -12.953 -2.602 3.027 1.00 0.00 C ATOM 320 NZ LYS A 21 -11.862 -2.832 3.977 1.00 0.00 N ATOM 0 H LYS A 21 -11.725 -3.583 -1.627 1.00 0.00 H new ATOM 0 HA LYS A 21 -13.124 -1.286 -1.086 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.157 -1.581 -0.727 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.146 -0.297 -0.060 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.601 -3.228 0.642 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.465 -2.220 1.517 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.237 -0.744 2.265 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.408 -1.543 1.234 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.792 -2.140 3.547 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.305 -3.560 2.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.198 -3.440 4.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.070 -3.298 3.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.542 -1.922 4.366 1.00 0.00 H new ATOM 333 N GLY A 22 -10.741 -0.544 -3.367 1.00 0.00 N ATOM 334 CA GLY A 22 -10.306 0.338 -4.499 1.00 0.00 C ATOM 335 C GLY A 22 -11.394 0.700 -5.593 1.00 0.00 C ATOM 336 O GLY A 22 -12.040 1.788 -5.489 1.00 0.00 O ATOM 0 H GLY A 22 -10.055 -1.277 -3.186 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.929 1.269 -4.076 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.469 -0.146 -5.002 1.00 0.00 H new ATOM 340 N LYS A 23 -11.650 -0.260 -6.545 1.00 0.00 N ATOM 341 CA LYS A 23 -12.802 -0.359 -7.404 1.00 0.00 C ATOM 342 C LYS A 23 -14.030 -0.969 -6.675 1.00 0.00 C ATOM 343 O LYS A 23 -14.351 -2.138 -6.836 1.00 0.00 O ATOM 344 CB LYS A 23 -12.524 -1.150 -8.724 1.00 0.00 C ATOM 345 CG LYS A 23 -13.600 -0.895 -9.791 1.00 0.00 C ATOM 346 CD LYS A 23 -14.180 -2.189 -10.443 1.00 0.00 C ATOM 347 CE LYS A 23 -13.257 -2.855 -11.449 1.00 0.00 C ATOM 348 NZ LYS A 23 -13.065 -2.094 -12.636 1.00 0.00 N ATOM 0 H LYS A 23 -10.990 -1.019 -6.714 1.00 0.00 H new ATOM 0 HA LYS A 23 -13.034 0.670 -7.679 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -11.549 -0.864 -9.118 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.479 -2.217 -8.504 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.417 -0.333 -9.339 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -13.176 -0.267 -10.574 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -14.414 -2.904 -9.655 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.119 -1.942 -10.938 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -12.289 -3.032 -10.980 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.665 -3.830 -11.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.524 -2.655 -13.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.989 -1.845 -13.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.541 -1.225 -12.410 1.00 0.00 H new ATOM 361 N GLY A 24 -14.660 -0.091 -5.896 1.00 0.00 N ATOM 362 CA GLY A 24 -15.907 -0.453 -5.257 1.00 0.00 C ATOM 363 C GLY A 24 -16.486 0.547 -4.299 1.00 0.00 C ATOM 364 O GLY A 24 -17.719 0.709 -4.190 1.00 0.00 O ATOM 0 H GLY A 24 -14.330 0.854 -5.700 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -16.645 -0.646 -6.035 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -15.756 -1.390 -4.721 1.00 0.00 H new ATOM 368 N SER A 25 -15.505 1.134 -3.562 1.00 0.00 N ATOM 369 CA SER A 25 -15.613 2.082 -2.476 1.00 0.00 C ATOM 370 C SER A 25 -14.857 3.362 -2.951 1.00 0.00 C ATOM 371 O SER A 25 -13.714 3.324 -3.394 1.00 0.00 O ATOM 372 CB SER A 25 -15.000 1.548 -1.125 1.00 0.00 C ATOM 373 OG SER A 25 -15.857 0.605 -0.457 1.00 0.00 O ATOM 0 H SER A 25 -14.527 0.916 -3.753 1.00 0.00 H new ATOM 0 HA SER A 25 -16.663 2.275 -2.256 1.00 0.00 H new ATOM 0 HB2 SER A 25 -14.039 1.077 -1.329 1.00 0.00 H new ATOM 0 HB3 SER A 25 -14.807 2.391 -0.461 1.00 0.00 H new ATOM 0 HG SER A 25 -15.430 0.305 0.372 1.00 0.00 H new ATOM 379 N GLN A 26 -15.523 4.471 -2.595 1.00 0.00 N ATOM 380 CA GLN A 26 -15.004 5.836 -2.621 1.00 0.00 C ATOM 381 C GLN A 26 -13.945 6.058 -1.476 1.00 0.00 C ATOM 382 O GLN A 26 -14.312 6.794 -0.505 1.00 0.00 O ATOM 383 CB GLN A 26 -16.164 6.858 -2.551 1.00 0.00 C ATOM 384 CG GLN A 26 -17.105 6.946 -3.782 1.00 0.00 C ATOM 385 CD GLN A 26 -18.198 5.820 -3.957 1.00 0.00 C ATOM 386 OE1 GLN A 26 -18.999 5.576 -3.023 1.00 0.00 O ATOM 387 NE2 GLN A 26 -18.222 5.100 -5.086 1.00 0.00 N ATOM 0 H GLN A 26 -16.487 4.432 -2.265 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.486 5.996 -3.567 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -16.771 6.621 -1.677 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -15.735 7.846 -2.382 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -17.618 7.907 -3.743 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -16.484 6.952 -4.678 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -17.565 5.309 -5.838 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -18.897 4.343 -5.194 1.00 0.00 H new ATOM 396 N LYS A 27 -12.677 5.718 -1.826 1.00 0.00 N ATOM 397 CA LYS A 27 -11.455 5.862 -1.038 1.00 0.00 C ATOM 398 C LYS A 27 -10.159 5.670 -1.929 1.00 0.00 C ATOM 399 O LYS A 27 -10.154 4.914 -2.951 1.00 0.00 O ATOM 400 CB LYS A 27 -11.439 4.922 0.194 1.00 0.00 C ATOM 401 CG LYS A 27 -11.549 3.378 0.071 1.00 0.00 C ATOM 402 CD LYS A 27 -11.636 2.575 1.386 1.00 0.00 C ATOM 403 CE LYS A 27 -12.867 2.711 2.189 1.00 0.00 C ATOM 404 NZ LYS A 27 -12.710 2.235 3.625 1.00 0.00 N ATOM 0 H LYS A 27 -12.483 5.306 -2.739 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.445 6.884 -0.659 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.512 5.126 0.729 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.257 5.242 0.840 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.432 3.148 -0.526 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.684 3.020 -0.488 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.507 1.520 1.145 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.792 2.864 2.013 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.175 3.756 2.193 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.667 2.145 1.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.610 2.358 4.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.444 1.229 3.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.968 2.791 4.096 1.00 0.00 H new ATOM 417 N LEU A 28 -9.037 6.284 -1.466 1.00 0.00 N ATOM 418 CA LEU A 28 -7.695 5.827 -1.765 1.00 0.00 C ATOM 419 C LEU A 28 -7.385 4.555 -0.876 1.00 0.00 C ATOM 420 O LEU A 28 -7.905 4.358 0.222 1.00 0.00 O ATOM 421 CB LEU A 28 -6.663 7.012 -1.525 1.00 0.00 C ATOM 422 CG LEU A 28 -5.190 6.813 -1.969 1.00 0.00 C ATOM 423 CD1 LEU A 28 -5.103 6.401 -3.418 1.00 0.00 C ATOM 424 CD2 LEU A 28 -4.424 8.159 -1.748 1.00 0.00 C ATOM 0 H LEU A 28 -9.062 7.113 -0.873 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.603 5.534 -2.811 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.047 7.894 -2.037 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.660 7.238 -0.459 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.742 6.016 -1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.057 6.270 -3.697 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.637 5.462 -3.562 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.551 7.173 -4.043 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.385 8.041 -2.054 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.890 8.945 -2.342 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.463 8.431 -0.693 1.00 0.00 H new ATOM 436 N ILE A 29 -6.487 3.732 -1.420 1.00 0.00 N ATOM 437 CA ILE A 29 -6.006 2.451 -0.839 1.00 0.00 C ATOM 438 C ILE A 29 -4.497 2.351 -1.293 1.00 0.00 C ATOM 439 O ILE A 29 -4.147 2.685 -2.438 1.00 0.00 O ATOM 440 CB ILE A 29 -6.861 1.146 -1.105 1.00 0.00 C ATOM 441 CG1 ILE A 29 -6.582 0.388 -2.428 1.00 0.00 C ATOM 442 CG2 ILE A 29 -8.336 1.157 -0.924 1.00 0.00 C ATOM 443 CD1 ILE A 29 -6.467 -1.098 -2.209 1.00 0.00 C ATOM 0 H ILE A 29 -6.048 3.938 -2.317 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.124 2.484 0.244 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.445 0.622 -0.244 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.384 0.590 -3.138 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.660 0.762 -2.874 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.738 0.171 -1.155 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.574 1.414 0.108 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.779 1.895 -1.593 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.271 -1.592 -3.161 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.648 -1.302 -1.519 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.398 -1.477 -1.788 1.00 0.00 H new ATOM 455 N VAL A 30 -3.651 2.002 -0.355 1.00 0.00 N ATOM 456 CA VAL A 30 -2.226 2.112 -0.438 1.00 0.00 C ATOM 457 C VAL A 30 -1.664 0.762 0.161 1.00 0.00 C ATOM 458 O VAL A 30 -2.085 0.294 1.250 1.00 0.00 O ATOM 459 CB VAL A 30 -1.601 3.399 0.188 1.00 0.00 C ATOM 460 CG1 VAL A 30 -0.056 3.575 0.103 1.00 0.00 C ATOM 461 CG2 VAL A 30 -2.194 4.652 -0.556 1.00 0.00 C ATOM 0 H VAL A 30 -3.962 1.612 0.535 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.929 2.245 -1.478 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.846 3.302 1.246 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.230 4.513 0.579 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.433 2.745 0.613 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.251 3.590 -0.943 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.769 5.562 -0.132 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.947 4.596 -1.616 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.277 4.668 -0.436 1.00 0.00 H new ATOM 471 N VAL A 31 -0.674 0.215 -0.610 1.00 0.00 N ATOM 472 CA VAL A 31 -0.145 -1.107 -0.445 1.00 0.00 C ATOM 473 C VAL A 31 1.314 -1.092 -0.821 1.00 0.00 C ATOM 474 O VAL A 31 1.724 -0.788 -1.939 1.00 0.00 O ATOM 475 CB VAL A 31 -0.879 -2.260 -1.233 1.00 0.00 C ATOM 476 CG1 VAL A 31 -1.105 -2.042 -2.741 1.00 0.00 C ATOM 477 CG2 VAL A 31 -0.390 -3.697 -0.915 1.00 0.00 C ATOM 0 H VAL A 31 -0.234 0.726 -1.375 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.308 -1.352 0.605 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.876 -2.175 -0.801 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.618 -2.907 -3.161 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.714 -1.150 -2.893 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.144 -1.914 -3.238 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.958 -4.414 -1.508 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.669 -3.783 -1.158 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.537 -3.905 0.145 1.00 0.00 H new ATOM 487 N ASP A 32 2.109 -1.526 0.204 1.00 0.00 N ATOM 488 CA ASP A 32 3.516 -1.921 0.106 1.00 0.00 C ATOM 489 C ASP A 32 3.578 -3.399 -0.408 1.00 0.00 C ATOM 490 O ASP A 32 2.792 -4.271 -0.007 1.00 0.00 O ATOM 491 CB ASP A 32 4.211 -1.857 1.495 1.00 0.00 C ATOM 492 CG ASP A 32 5.758 -1.652 1.577 1.00 0.00 C ATOM 493 OD1 ASP A 32 6.369 -2.079 2.518 1.00 0.00 O ATOM 494 OD2 ASP A 32 6.264 -0.736 0.635 1.00 0.00 O ATOM 0 H ASP A 32 1.753 -1.607 1.156 1.00 0.00 H new ATOM 0 HA ASP A 32 4.026 -1.240 -0.575 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.745 -1.047 2.056 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.977 -2.783 2.019 1.00 0.00 H new ATOM 500 N PHE A 33 4.665 -3.676 -1.221 1.00 0.00 N ATOM 501 CA PHE A 33 5.063 -4.912 -1.864 1.00 0.00 C ATOM 502 C PHE A 33 6.518 -5.103 -1.379 1.00 0.00 C ATOM 503 O PHE A 33 7.525 -4.447 -1.805 1.00 0.00 O ATOM 504 CB PHE A 33 4.778 -4.807 -3.422 1.00 0.00 C ATOM 505 CG PHE A 33 3.328 -4.972 -3.816 1.00 0.00 C ATOM 506 CD1 PHE A 33 2.734 -6.258 -3.575 1.00 0.00 C ATOM 507 CD2 PHE A 33 2.429 -3.927 -4.138 1.00 0.00 C ATOM 508 CE1 PHE A 33 1.379 -6.510 -3.710 1.00 0.00 C ATOM 509 CE2 PHE A 33 1.115 -4.199 -4.342 1.00 0.00 C ATOM 510 CZ PHE A 33 0.575 -5.520 -4.225 1.00 0.00 C ATOM 0 H PHE A 33 5.329 -2.934 -1.440 1.00 0.00 H new ATOM 0 HA PHE A 33 4.509 -5.816 -1.610 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.128 -3.837 -3.776 1.00 0.00 H new ATOM 0 HB3 PHE A 33 5.368 -5.566 -3.936 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.378 -7.071 -3.273 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.789 -2.912 -4.221 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.963 -7.463 -3.417 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.451 -3.388 -4.603 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.438 -5.734 -4.533 1.00 0.00 H new ATOM 520 N THR A 34 6.707 -5.976 -0.357 1.00 0.00 N ATOM 521 CA THR A 34 7.939 -6.205 0.473 1.00 0.00 C ATOM 522 C THR A 34 7.990 -7.685 0.819 1.00 0.00 C ATOM 523 O THR A 34 6.972 -8.331 0.972 1.00 0.00 O ATOM 524 CB THR A 34 7.954 -5.260 1.658 1.00 0.00 C ATOM 525 OG1 THR A 34 9.206 -5.443 2.395 1.00 0.00 O ATOM 526 CG2 THR A 34 6.761 -5.406 2.615 1.00 0.00 C ATOM 0 H THR A 34 5.949 -6.591 -0.061 1.00 0.00 H new ATOM 0 HA THR A 34 8.856 -5.972 -0.067 1.00 0.00 H new ATOM 0 HB THR A 34 7.872 -4.254 1.247 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.028 -5.402 3.358 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.859 -4.690 3.431 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.835 -5.215 2.073 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.742 -6.417 3.021 1.00 0.00 H new ATOM 534 N ALA A 35 9.265 -8.170 0.704 1.00 0.00 N ATOM 535 CA ALA A 35 9.740 -9.395 1.293 1.00 0.00 C ATOM 536 C ALA A 35 9.911 -9.191 2.835 1.00 0.00 C ATOM 537 O ALA A 35 10.531 -8.253 3.383 1.00 0.00 O ATOM 538 CB ALA A 35 10.963 -9.681 0.462 1.00 0.00 C ATOM 0 H ALA A 35 9.987 -7.680 0.176 1.00 0.00 H new ATOM 0 HA ALA A 35 9.088 -10.268 1.266 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.431 -10.602 0.809 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.675 -9.791 -0.583 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.669 -8.857 0.559 1.00 0.00 H new ATOM 544 N SER A 36 9.521 -10.223 3.520 1.00 0.00 N ATOM 545 CA SER A 36 9.745 -10.344 5.003 1.00 0.00 C ATOM 546 C SER A 36 11.271 -10.207 5.493 1.00 0.00 C ATOM 547 O SER A 36 11.528 -9.588 6.511 1.00 0.00 O ATOM 548 CB SER A 36 9.072 -11.641 5.518 1.00 0.00 C ATOM 549 OG SER A 36 9.218 -11.892 6.919 1.00 0.00 O ATOM 0 H SER A 36 9.038 -11.021 3.108 1.00 0.00 H new ATOM 0 HA SER A 36 9.271 -9.473 5.455 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.009 -11.597 5.283 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.485 -12.487 4.969 1.00 0.00 H new ATOM 0 HG SER A 36 8.761 -12.728 7.151 1.00 0.00 H new ATOM 555 N TRP A 37 12.260 -10.792 4.740 1.00 0.00 N ATOM 556 CA TRP A 37 13.589 -10.177 4.558 1.00 0.00 C ATOM 557 C TRP A 37 13.695 -8.781 3.907 1.00 0.00 C ATOM 558 O TRP A 37 13.815 -8.634 2.666 1.00 0.00 O ATOM 559 CB TRP A 37 14.551 -11.265 3.964 1.00 0.00 C ATOM 560 CG TRP A 37 14.294 -11.802 2.475 1.00 0.00 C ATOM 561 CD1 TRP A 37 13.331 -12.784 2.238 1.00 0.00 C ATOM 562 CD2 TRP A 37 14.821 -11.419 1.288 1.00 0.00 C ATOM 563 NE1 TRP A 37 13.213 -13.019 0.877 1.00 0.00 N ATOM 564 CE2 TRP A 37 14.074 -12.089 0.302 1.00 0.00 C ATOM 565 CE3 TRP A 37 15.730 -10.367 0.907 1.00 0.00 C ATOM 566 CZ2 TRP A 37 14.319 -11.797 -1.062 1.00 0.00 C ATOM 567 CZ3 TRP A 37 16.044 -10.206 -0.442 1.00 0.00 C ATOM 568 CH2 TRP A 37 15.309 -10.893 -1.396 1.00 0.00 C ATOM 0 H TRP A 37 12.147 -11.684 4.258 1.00 0.00 H new ATOM 0 HA TRP A 37 13.911 -9.874 5.554 1.00 0.00 H new ATOM 0 HB2 TRP A 37 15.563 -10.863 3.998 1.00 0.00 H new ATOM 0 HB3 TRP A 37 14.527 -12.125 4.633 1.00 0.00 H new ATOM 0 HD1 TRP A 37 12.760 -13.288 3.004 1.00 0.00 H new ATOM 0 HE1 TRP A 37 12.631 -13.712 0.407 1.00 0.00 H new ATOM 0 HE3 TRP A 37 16.160 -9.715 1.653 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 13.737 -12.277 -1.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 16.851 -9.553 -0.740 1.00 0.00 H new ATOM 0 HH2 TRP A 37 15.518 -10.715 -2.440 1.00 0.00 H new ATOM 579 N CYS A 38 13.658 -7.747 4.787 1.00 0.00 N ATOM 580 CA CYS A 38 13.847 -6.318 4.460 1.00 0.00 C ATOM 581 C CYS A 38 13.831 -5.537 5.810 1.00 0.00 C ATOM 582 O CYS A 38 12.748 -5.165 6.284 1.00 0.00 O ATOM 583 CB CYS A 38 12.874 -5.759 3.342 1.00 0.00 C ATOM 584 SG CYS A 38 13.201 -3.959 2.983 1.00 0.00 S ATOM 0 H CYS A 38 13.489 -7.897 5.782 1.00 0.00 H new ATOM 0 HA CYS A 38 14.811 -6.173 3.972 1.00 0.00 H new ATOM 0 HB2 CYS A 38 12.997 -6.341 2.428 1.00 0.00 H new ATOM 0 HB3 CYS A 38 11.840 -5.884 3.663 1.00 0.00 H new ATOM 0 HG CYS A 38 12.076 -3.352 2.749 1.00 0.00 H new ATOM 590 N PRO A 39 15.002 -5.333 6.503 1.00 0.00 N ATOM 591 CA PRO A 39 15.139 -4.314 7.597 1.00 0.00 C ATOM 592 C PRO A 39 14.768 -2.803 7.197 1.00 0.00 C ATOM 593 O PRO A 39 13.901 -2.273 7.888 1.00 0.00 O ATOM 594 CB PRO A 39 16.574 -4.567 8.028 1.00 0.00 C ATOM 595 CG PRO A 39 17.104 -5.855 7.487 1.00 0.00 C ATOM 596 CD PRO A 39 16.329 -5.899 6.157 1.00 0.00 C ATOM 0 HA PRO A 39 14.415 -4.425 8.404 1.00 0.00 H new ATOM 0 HB2 PRO A 39 17.204 -3.745 7.689 1.00 0.00 H new ATOM 0 HB3 PRO A 39 16.628 -4.582 9.117 1.00 0.00 H new ATOM 0 HG2 PRO A 39 18.184 -5.838 7.344 1.00 0.00 H new ATOM 0 HG3 PRO A 39 16.881 -6.705 8.132 1.00 0.00 H new ATOM 0 HD2 PRO A 39 16.826 -5.312 5.385 1.00 0.00 H new ATOM 0 HD3 PRO A 39 16.243 -6.917 5.777 1.00 0.00 H new ATOM 604 N PRO A 40 15.090 -2.148 6.027 1.00 0.00 N ATOM 605 CA PRO A 40 14.422 -0.896 5.542 1.00 0.00 C ATOM 606 C PRO A 40 12.853 -0.770 5.537 1.00 0.00 C ATOM 607 O PRO A 40 12.319 0.172 6.174 1.00 0.00 O ATOM 608 CB PRO A 40 15.067 -0.685 4.112 1.00 0.00 C ATOM 609 CG PRO A 40 16.407 -1.269 4.446 1.00 0.00 C ATOM 610 CD PRO A 40 16.117 -2.631 5.156 1.00 0.00 C ATOM 0 HA PRO A 40 14.603 -0.112 6.277 1.00 0.00 H new ATOM 0 HB2 PRO A 40 14.547 -1.223 3.319 1.00 0.00 H new ATOM 0 HB3 PRO A 40 15.115 0.361 3.809 1.00 0.00 H new ATOM 0 HG2 PRO A 40 17.004 -1.417 3.546 1.00 0.00 H new ATOM 0 HG3 PRO A 40 16.972 -0.602 5.097 1.00 0.00 H new ATOM 0 HD2 PRO A 40 15.773 -3.408 4.474 1.00 0.00 H new ATOM 0 HD3 PRO A 40 16.980 -3.032 5.688 1.00 0.00 H new ATOM 618 N CYS A 41 12.104 -1.727 4.990 1.00 0.00 N ATOM 619 CA CYS A 41 10.651 -1.958 5.295 1.00 0.00 C ATOM 620 C CYS A 41 10.169 -2.303 6.754 1.00 0.00 C ATOM 621 O CYS A 41 9.012 -1.957 7.060 1.00 0.00 O ATOM 622 CB CYS A 41 9.821 -2.689 4.333 1.00 0.00 C ATOM 623 SG CYS A 41 9.736 -1.852 2.722 1.00 0.00 S ATOM 0 H CYS A 41 12.476 -2.387 4.307 1.00 0.00 H new ATOM 0 HA CYS A 41 10.472 -0.890 5.168 1.00 0.00 H new ATOM 0 HB2 CYS A 41 10.224 -3.693 4.198 1.00 0.00 H new ATOM 0 HB3 CYS A 41 8.814 -2.801 4.736 1.00 0.00 H new ATOM 0 HG CYS A 41 8.497 -1.776 2.338 1.00 0.00 H new ATOM 629 N LYS A 42 11.001 -2.871 7.589 1.00 0.00 N ATOM 630 CA LYS A 42 10.836 -2.935 9.089 1.00 0.00 C ATOM 631 C LYS A 42 10.749 -1.700 9.933 1.00 0.00 C ATOM 632 O LYS A 42 10.034 -1.652 10.944 1.00 0.00 O ATOM 633 CB LYS A 42 11.890 -3.971 9.606 1.00 0.00 C ATOM 634 CG LYS A 42 11.632 -4.665 10.976 1.00 0.00 C ATOM 635 CD LYS A 42 12.909 -5.564 11.328 1.00 0.00 C ATOM 636 CE LYS A 42 12.622 -6.519 12.505 1.00 0.00 C ATOM 637 NZ LYS A 42 11.840 -7.741 12.111 1.00 0.00 N ATOM 0 H LYS A 42 11.855 -3.329 7.270 1.00 0.00 H new ATOM 0 HA LYS A 42 9.796 -3.229 9.232 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.987 -4.751 8.851 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.853 -3.464 9.666 1.00 0.00 H new ATOM 0 HG2 LYS A 42 11.465 -3.920 11.754 1.00 0.00 H new ATOM 0 HG3 LYS A 42 10.735 -5.282 10.927 1.00 0.00 H new ATOM 0 HD2 LYS A 42 13.200 -6.143 10.451 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.751 -4.919 11.579 1.00 0.00 H new ATOM 0 HE2 LYS A 42 13.568 -6.830 12.948 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.072 -5.978 13.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.683 -8.338 12.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.923 -7.453 11.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 12.372 -8.279 11.398 1.00 0.00 H new ATOM 650 N MET A 43 11.615 -0.734 9.652 1.00 0.00 N ATOM 651 CA MET A 43 11.368 0.698 10.033 1.00 0.00 C ATOM 652 C MET A 43 10.053 1.400 9.385 1.00 0.00 C ATOM 653 O MET A 43 9.245 2.093 10.052 1.00 0.00 O ATOM 654 CB MET A 43 12.617 1.593 9.930 1.00 0.00 C ATOM 655 CG MET A 43 13.313 1.612 8.557 1.00 0.00 C ATOM 656 SD MET A 43 14.604 2.874 8.511 1.00 0.00 S ATOM 657 CE MET A 43 14.687 3.224 6.685 1.00 0.00 C ATOM 0 H MET A 43 12.497 -0.890 9.165 1.00 0.00 H new ATOM 0 HA MET A 43 11.123 0.610 11.091 1.00 0.00 H new ATOM 0 HB2 MET A 43 12.332 2.613 10.187 1.00 0.00 H new ATOM 0 HB3 MET A 43 13.339 1.266 10.678 1.00 0.00 H new ATOM 0 HG2 MET A 43 13.747 0.634 8.350 1.00 0.00 H new ATOM 0 HG3 MET A 43 12.579 1.807 7.775 1.00 0.00 H new ATOM 0 HE1 MET A 43 15.442 3.986 6.495 1.00 0.00 H new ATOM 0 HE2 MET A 43 14.950 2.311 6.151 1.00 0.00 H new ATOM 0 HE3 MET A 43 13.717 3.580 6.338 1.00 0.00 H new ATOM 667 N ILE A 44 9.887 1.190 8.050 1.00 0.00 N ATOM 668 CA ILE A 44 8.716 1.657 7.246 1.00 0.00 C ATOM 669 C ILE A 44 7.337 1.217 7.687 1.00 0.00 C ATOM 670 O ILE A 44 6.451 2.085 7.589 1.00 0.00 O ATOM 671 CB ILE A 44 9.090 1.608 5.674 1.00 0.00 C ATOM 672 CG1 ILE A 44 8.980 3.034 5.080 1.00 0.00 C ATOM 673 CG2 ILE A 44 8.324 0.594 4.798 1.00 0.00 C ATOM 674 CD1 ILE A 44 10.030 4.032 5.571 1.00 0.00 C ATOM 0 H ILE A 44 10.573 0.683 7.491 1.00 0.00 H new ATOM 0 HA ILE A 44 8.545 2.707 7.483 1.00 0.00 H new ATOM 0 HB ILE A 44 10.113 1.231 5.647 1.00 0.00 H new ATOM 0 HG12 ILE A 44 9.050 2.963 3.995 1.00 0.00 H new ATOM 0 HG13 ILE A 44 7.991 3.430 5.311 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.673 0.667 3.768 1.00 0.00 H new ATOM 0 HG22 ILE A 44 8.501 -0.415 5.170 1.00 0.00 H new ATOM 0 HG23 ILE A 44 7.257 0.813 4.836 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.864 4.998 5.095 1.00 0.00 H new ATOM 0 HD12 ILE A 44 9.950 4.142 6.653 1.00 0.00 H new ATOM 0 HD13 ILE A 44 11.025 3.668 5.316 1.00 0.00 H new ATOM 686 N ALA A 45 7.125 -0.046 8.063 1.00 0.00 N ATOM 687 CA ALA A 45 5.894 -0.497 8.722 1.00 0.00 C ATOM 688 C ALA A 45 5.366 0.420 9.921 1.00 0.00 C ATOM 689 O ALA A 45 4.245 0.912 9.838 1.00 0.00 O ATOM 690 CB ALA A 45 5.982 -2.006 9.185 1.00 0.00 C ATOM 0 H ALA A 45 7.807 -0.791 7.918 1.00 0.00 H new ATOM 0 HA ALA A 45 5.146 -0.399 7.935 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.048 -2.294 9.667 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.154 -2.643 8.318 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.805 -2.123 9.890 1.00 0.00 H new ATOM 696 N PRO A 46 6.100 0.755 11.034 1.00 0.00 N ATOM 697 CA PRO A 46 5.793 1.950 11.860 1.00 0.00 C ATOM 698 C PRO A 46 5.541 3.372 11.266 1.00 0.00 C ATOM 699 O PRO A 46 4.748 4.191 11.765 1.00 0.00 O ATOM 700 CB PRO A 46 6.825 1.881 13.028 1.00 0.00 C ATOM 701 CG PRO A 46 7.331 0.412 13.085 1.00 0.00 C ATOM 702 CD PRO A 46 7.256 0.043 11.617 1.00 0.00 C ATOM 0 HA PRO A 46 4.743 1.859 12.139 1.00 0.00 H new ATOM 0 HB2 PRO A 46 7.652 2.570 12.856 1.00 0.00 H new ATOM 0 HB3 PRO A 46 6.362 2.169 13.972 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.344 0.336 13.481 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.698 -0.222 13.706 1.00 0.00 H new ATOM 0 HD2 PRO A 46 8.176 0.324 11.105 1.00 0.00 H new ATOM 0 HD3 PRO A 46 7.141 -1.034 11.499 1.00 0.00 H new ATOM 710 N ILE A 47 6.316 3.765 10.245 1.00 0.00 N ATOM 711 CA ILE A 47 6.151 4.988 9.408 1.00 0.00 C ATOM 712 C ILE A 47 4.769 5.028 8.727 1.00 0.00 C ATOM 713 O ILE A 47 4.018 5.972 8.952 1.00 0.00 O ATOM 714 CB ILE A 47 7.363 5.427 8.529 1.00 0.00 C ATOM 715 CG1 ILE A 47 8.685 5.709 9.298 1.00 0.00 C ATOM 716 CG2 ILE A 47 6.991 6.707 7.672 1.00 0.00 C ATOM 717 CD1 ILE A 47 8.652 6.880 10.369 1.00 0.00 C ATOM 0 H ILE A 47 7.124 3.214 9.955 1.00 0.00 H new ATOM 0 HA ILE A 47 6.166 5.812 10.121 1.00 0.00 H new ATOM 0 HB ILE A 47 7.561 4.561 7.897 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.985 4.792 9.806 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.461 5.938 8.568 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.848 7.000 7.065 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.147 6.477 7.022 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.722 7.526 8.339 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.633 6.975 10.834 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.392 7.817 9.876 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.909 6.653 11.133 1.00 0.00 H new ATOM 729 N PHE A 48 4.418 3.974 7.998 1.00 0.00 N ATOM 730 CA PHE A 48 3.095 3.678 7.424 1.00 0.00 C ATOM 731 C PHE A 48 1.877 3.639 8.386 1.00 0.00 C ATOM 732 O PHE A 48 0.784 4.122 8.016 1.00 0.00 O ATOM 733 CB PHE A 48 3.386 2.343 6.596 1.00 0.00 C ATOM 734 CG PHE A 48 2.484 1.893 5.434 1.00 0.00 C ATOM 735 CD1 PHE A 48 2.264 2.725 4.303 1.00 0.00 C ATOM 736 CD2 PHE A 48 2.014 0.601 5.390 1.00 0.00 C ATOM 737 CE1 PHE A 48 1.541 2.273 3.170 1.00 0.00 C ATOM 738 CE2 PHE A 48 1.267 0.134 4.324 1.00 0.00 C ATOM 739 CZ PHE A 48 1.027 0.942 3.206 1.00 0.00 C ATOM 0 H PHE A 48 5.096 3.246 7.772 1.00 0.00 H new ATOM 0 HA PHE A 48 2.726 4.500 6.812 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.395 2.436 6.193 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.404 1.524 7.315 1.00 0.00 H new ATOM 0 HD1 PHE A 48 2.659 3.730 4.307 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.234 -0.067 6.210 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.385 2.911 2.313 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.863 -0.867 4.354 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.455 0.559 2.374 1.00 0.00 H new ATOM 749 N ALA A 49 2.015 3.207 9.669 1.00 0.00 N ATOM 750 CA ALA A 49 1.124 3.351 10.855 1.00 0.00 C ATOM 751 C ALA A 49 0.984 4.820 11.478 1.00 0.00 C ATOM 752 O ALA A 49 -0.120 5.366 11.618 1.00 0.00 O ATOM 753 CB ALA A 49 1.507 2.220 11.897 1.00 0.00 C ATOM 0 H ALA A 49 2.854 2.687 9.928 1.00 0.00 H new ATOM 0 HA ALA A 49 0.099 3.205 10.513 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.868 2.304 12.776 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.368 1.241 11.439 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.549 2.337 12.194 1.00 0.00 H new ATOM 759 N GLU A 50 2.089 5.546 11.852 1.00 0.00 N ATOM 760 CA GLU A 50 2.054 6.990 12.217 1.00 0.00 C ATOM 761 C GLU A 50 1.332 7.891 11.121 1.00 0.00 C ATOM 762 O GLU A 50 0.331 8.588 11.319 1.00 0.00 O ATOM 763 CB GLU A 50 3.492 7.338 12.594 1.00 0.00 C ATOM 764 CG GLU A 50 3.649 8.855 12.962 1.00 0.00 C ATOM 765 CD GLU A 50 5.129 9.209 13.269 1.00 0.00 C ATOM 766 OE1 GLU A 50 5.526 9.602 14.371 1.00 0.00 O ATOM 767 OE2 GLU A 50 5.940 9.093 12.143 1.00 0.00 O ATOM 0 H GLU A 50 3.023 5.139 11.906 1.00 0.00 H new ATOM 0 HA GLU A 50 1.416 7.209 13.073 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.804 6.725 13.440 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.154 7.096 11.763 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.289 9.471 12.138 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.030 9.088 13.828 1.00 0.00 H new ATOM 775 N LEU A 51 1.782 7.761 9.863 1.00 0.00 N ATOM 776 CA LEU A 51 1.064 8.330 8.642 1.00 0.00 C ATOM 777 C LEU A 51 -0.426 7.970 8.522 1.00 0.00 C ATOM 778 O LEU A 51 -1.300 8.842 8.385 1.00 0.00 O ATOM 779 CB LEU A 51 1.915 8.024 7.434 1.00 0.00 C ATOM 780 CG LEU A 51 1.595 8.661 6.053 1.00 0.00 C ATOM 781 CD1 LEU A 51 0.607 7.855 5.177 1.00 0.00 C ATOM 782 CD2 LEU A 51 1.150 10.165 6.194 1.00 0.00 C ATOM 0 H LEU A 51 2.644 7.268 9.632 1.00 0.00 H new ATOM 0 HA LEU A 51 0.977 9.411 8.747 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.939 8.301 7.685 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.902 6.943 7.299 1.00 0.00 H new ATOM 0 HG LEU A 51 2.539 8.629 5.509 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.446 8.378 4.234 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.021 6.867 4.977 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.343 7.751 5.701 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.935 10.575 5.207 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.255 10.223 6.814 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.951 10.739 6.659 1.00 0.00 H new ATOM 794 N ALA A 52 -0.822 6.692 8.713 1.00 0.00 N ATOM 795 CA ALA A 52 -2.221 6.200 8.905 1.00 0.00 C ATOM 796 C ALA A 52 -3.180 6.923 9.914 1.00 0.00 C ATOM 797 O ALA A 52 -4.259 7.385 9.580 1.00 0.00 O ATOM 798 CB ALA A 52 -2.231 4.642 9.095 1.00 0.00 C ATOM 0 H ALA A 52 -0.145 5.929 8.740 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.690 6.499 7.967 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.256 4.299 9.234 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.805 4.165 8.212 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.639 4.379 9.971 1.00 0.00 H new ATOM 804 N LYS A 53 -2.670 7.120 11.139 1.00 0.00 N ATOM 805 CA LYS A 53 -3.266 8.053 12.172 1.00 0.00 C ATOM 806 C LYS A 53 -3.433 9.547 11.733 1.00 0.00 C ATOM 807 O LYS A 53 -4.455 10.209 12.042 1.00 0.00 O ATOM 808 CB LYS A 53 -2.445 8.013 13.501 1.00 0.00 C ATOM 809 CG LYS A 53 -2.509 6.616 14.204 1.00 0.00 C ATOM 810 CD LYS A 53 -1.828 6.409 15.530 1.00 0.00 C ATOM 811 CE LYS A 53 -2.031 4.999 16.092 1.00 0.00 C ATOM 812 NZ LYS A 53 -1.411 4.833 17.438 1.00 0.00 N ATOM 0 H LYS A 53 -1.828 6.645 11.466 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.275 7.665 12.311 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.405 8.262 13.289 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.824 8.776 14.181 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.562 6.369 14.338 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.096 5.884 13.510 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.761 6.600 15.418 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.208 7.138 16.246 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.098 4.786 16.157 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.602 4.271 15.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.574 3.864 17.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.388 5.010 17.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.838 5.509 18.103 1.00 0.00 H new ATOM 825 N LYS A 54 -2.560 10.035 10.835 1.00 0.00 N ATOM 826 CA LYS A 54 -2.525 11.340 10.118 1.00 0.00 C ATOM 827 C LYS A 54 -3.656 11.508 9.009 1.00 0.00 C ATOM 828 O LYS A 54 -4.005 12.667 8.744 1.00 0.00 O ATOM 829 CB LYS A 54 -1.107 11.703 9.715 1.00 0.00 C ATOM 830 CG LYS A 54 -0.735 13.148 9.702 1.00 0.00 C ATOM 831 CD LYS A 54 0.638 13.502 9.034 1.00 0.00 C ATOM 832 CE LYS A 54 1.821 12.965 9.796 1.00 0.00 C ATOM 833 NZ LYS A 54 3.085 12.895 9.065 1.00 0.00 N ATOM 0 H LYS A 54 -1.764 9.462 10.555 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.819 12.119 10.822 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.425 11.188 10.391 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.930 11.303 8.717 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.520 13.699 9.185 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.718 13.507 10.731 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.655 13.103 8.020 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.727 14.585 8.952 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.970 13.587 10.679 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.574 11.964 10.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.825 12.512 9.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.973 12.275 8.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.357 13.848 8.750 1.00 0.00 H new ATOM 846 N PHE A 55 -4.007 10.405 8.351 1.00 0.00 N ATOM 847 CA PHE A 55 -4.656 10.308 7.052 1.00 0.00 C ATOM 848 C PHE A 55 -5.845 9.221 7.229 1.00 0.00 C ATOM 849 O PHE A 55 -5.598 8.028 7.232 1.00 0.00 O ATOM 850 CB PHE A 55 -3.503 9.971 6.040 1.00 0.00 C ATOM 851 CG PHE A 55 -2.922 11.282 5.399 1.00 0.00 C ATOM 852 CD1 PHE A 55 -3.567 11.810 4.280 1.00 0.00 C ATOM 853 CD2 PHE A 55 -1.806 11.913 5.928 1.00 0.00 C ATOM 854 CE1 PHE A 55 -3.185 13.039 3.790 1.00 0.00 C ATOM 855 CE2 PHE A 55 -1.337 13.121 5.346 1.00 0.00 C ATOM 856 CZ PHE A 55 -2.047 13.713 4.289 1.00 0.00 C ATOM 0 H PHE A 55 -3.829 9.483 8.748 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.143 11.202 6.662 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -2.709 9.429 6.554 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.881 9.314 5.256 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.362 11.258 3.801 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.295 11.488 6.779 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.769 13.499 3.006 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.434 13.584 5.716 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.732 14.657 3.869 1.00 0.00 H new ATOM 866 N PRO A 56 -7.068 9.706 7.513 1.00 0.00 N ATOM 867 CA PRO A 56 -8.361 8.974 7.450 1.00 0.00 C ATOM 868 C PRO A 56 -9.080 8.486 6.151 1.00 0.00 C ATOM 869 O PRO A 56 -9.672 7.363 6.192 1.00 0.00 O ATOM 870 CB PRO A 56 -9.327 9.766 8.341 1.00 0.00 C ATOM 871 CG PRO A 56 -8.844 11.219 8.193 1.00 0.00 C ATOM 872 CD PRO A 56 -7.365 11.166 7.794 1.00 0.00 C ATOM 0 HA PRO A 56 -8.045 7.975 7.749 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.360 9.651 8.014 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.282 9.432 9.378 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.428 11.744 7.437 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -8.971 11.764 9.128 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.175 11.781 6.914 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -6.730 11.548 8.593 1.00 0.00 H new ATOM 880 N ASN A 57 -8.952 9.242 5.078 1.00 0.00 N ATOM 881 CA ASN A 57 -9.501 9.030 3.710 1.00 0.00 C ATOM 882 C ASN A 57 -9.007 7.706 2.955 1.00 0.00 C ATOM 883 O ASN A 57 -9.223 7.492 1.769 1.00 0.00 O ATOM 884 CB ASN A 57 -9.424 10.336 2.903 1.00 0.00 C ATOM 885 CG ASN A 57 -8.062 10.928 2.659 1.00 0.00 C ATOM 886 OD1 ASN A 57 -7.257 10.427 1.894 1.00 0.00 O ATOM 887 ND2 ASN A 57 -7.749 12.037 3.308 1.00 0.00 N ATOM 0 H ASN A 57 -8.414 10.107 5.123 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.558 8.789 3.823 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -9.892 10.160 1.934 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.028 11.084 3.417 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.836 12.470 3.167 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -8.420 12.459 3.949 1.00 0.00 H new ATOM 894 N VAL A 58 -8.052 6.977 3.646 1.00 0.00 N ATOM 895 CA VAL A 58 -7.046 6.168 2.906 1.00 0.00 C ATOM 896 C VAL A 58 -6.745 4.863 3.758 1.00 0.00 C ATOM 897 O VAL A 58 -6.074 4.866 4.797 1.00 0.00 O ATOM 898 CB VAL A 58 -5.848 7.124 2.597 1.00 0.00 C ATOM 899 CG1 VAL A 58 -5.161 7.869 3.745 1.00 0.00 C ATOM 900 CG2 VAL A 58 -4.718 6.384 1.955 1.00 0.00 C ATOM 0 H VAL A 58 -7.972 6.942 4.662 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.369 5.783 1.939 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.368 7.859 1.982 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.354 8.485 3.348 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.887 8.505 4.252 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.752 7.148 4.453 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.900 7.075 1.752 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.371 5.597 2.625 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.059 5.940 1.020 1.00 0.00 H new ATOM 910 N THR A 59 -7.254 3.687 3.218 1.00 0.00 N ATOM 911 CA THR A 59 -6.864 2.303 3.673 1.00 0.00 C ATOM 912 C THR A 59 -5.356 1.949 3.299 1.00 0.00 C ATOM 913 O THR A 59 -4.698 2.459 2.391 1.00 0.00 O ATOM 914 CB THR A 59 -7.870 1.222 3.173 1.00 0.00 C ATOM 915 OG1 THR A 59 -9.151 1.396 3.745 1.00 0.00 O ATOM 916 CG2 THR A 59 -7.545 -0.289 3.417 1.00 0.00 C ATOM 0 H THR A 59 -7.939 3.682 2.463 1.00 0.00 H new ATOM 0 HA THR A 59 -6.918 2.300 4.762 1.00 0.00 H new ATOM 0 HB THR A 59 -7.805 1.404 2.100 1.00 0.00 H new ATOM 0 HG1 THR A 59 -9.756 0.703 3.408 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.346 -0.904 3.008 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.606 -0.543 2.926 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.456 -0.474 4.488 1.00 0.00 H new ATOM 924 N PHE A 60 -4.818 1.074 4.128 1.00 0.00 N ATOM 925 CA PHE A 60 -3.406 0.706 4.187 1.00 0.00 C ATOM 926 C PHE A 60 -3.315 -0.837 4.382 1.00 0.00 C ATOM 927 O PHE A 60 -4.026 -1.434 5.194 1.00 0.00 O ATOM 928 CB PHE A 60 -2.580 1.466 5.199 1.00 0.00 C ATOM 929 CG PHE A 60 -2.472 2.992 5.029 1.00 0.00 C ATOM 930 CD1 PHE A 60 -1.625 3.463 4.025 1.00 0.00 C ATOM 931 CD2 PHE A 60 -3.180 3.939 5.791 1.00 0.00 C ATOM 932 CE1 PHE A 60 -1.509 4.790 3.740 1.00 0.00 C ATOM 933 CE2 PHE A 60 -3.037 5.299 5.483 1.00 0.00 C ATOM 934 CZ PHE A 60 -2.233 5.730 4.467 1.00 0.00 C ATOM 0 H PHE A 60 -5.379 0.572 4.816 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.952 1.001 3.241 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -2.993 1.267 6.188 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.571 1.054 5.186 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.043 2.753 3.456 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -3.823 3.624 6.600 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -0.852 5.114 2.946 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -3.579 6.028 6.067 1.00 0.00 H new ATOM 0 HZ PHE A 60 -2.160 6.782 4.232 1.00 0.00 H new ATOM 944 N LEU A 61 -2.492 -1.501 3.578 1.00 0.00 N ATOM 945 CA LEU A 61 -2.393 -2.927 3.493 1.00 0.00 C ATOM 946 C LEU A 61 -0.955 -3.270 3.003 1.00 0.00 C ATOM 947 O LEU A 61 -0.190 -2.402 2.525 1.00 0.00 O ATOM 948 CB LEU A 61 -3.647 -3.599 2.921 1.00 0.00 C ATOM 949 CG LEU A 61 -3.748 -3.756 1.371 1.00 0.00 C ATOM 950 CD1 LEU A 61 -3.290 -5.169 0.950 1.00 0.00 C ATOM 951 CD2 LEU A 61 -5.156 -3.582 0.791 1.00 0.00 C ATOM 0 H LEU A 61 -1.852 -1.023 2.944 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.449 -3.442 4.452 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.726 -4.592 3.364 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.514 -3.030 3.257 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.114 -2.959 0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.364 -5.268 -0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.256 -5.323 1.258 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.926 -5.915 1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.122 -3.709 -0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.822 -4.328 1.223 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.526 -2.584 1.027 1.00 0.00 H new ATOM 963 N LYS A 62 -0.492 -4.544 3.242 1.00 0.00 N ATOM 964 CA LYS A 62 0.979 -4.911 3.034 1.00 0.00 C ATOM 965 C LYS A 62 0.983 -6.405 2.819 1.00 0.00 C ATOM 966 O LYS A 62 0.614 -7.184 3.674 1.00 0.00 O ATOM 967 CB LYS A 62 1.800 -4.314 4.227 1.00 0.00 C ATOM 968 CG LYS A 62 1.579 -4.849 5.646 1.00 0.00 C ATOM 969 CD LYS A 62 2.631 -4.342 6.652 1.00 0.00 C ATOM 970 CE LYS A 62 4.079 -4.851 6.514 1.00 0.00 C ATOM 971 NZ LYS A 62 4.287 -6.318 6.755 1.00 0.00 N ATOM 0 H LYS A 62 -1.078 -5.313 3.566 1.00 0.00 H new ATOM 0 HA LYS A 62 1.480 -4.486 2.164 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.856 -4.443 3.992 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.607 -3.241 4.250 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.586 -4.556 5.988 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.600 -5.939 5.625 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.654 -3.254 6.589 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.283 -4.596 7.653 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.432 -4.614 5.510 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.706 -4.296 7.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.294 -6.550 6.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.988 -6.557 7.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.723 -6.865 6.074 1.00 0.00 H new ATOM 984 N VAL A 63 1.542 -6.714 1.643 1.00 0.00 N ATOM 985 CA VAL A 63 1.732 -8.057 0.977 1.00 0.00 C ATOM 986 C VAL A 63 3.174 -8.543 1.118 1.00 0.00 C ATOM 987 O VAL A 63 4.074 -7.811 0.693 1.00 0.00 O ATOM 988 CB VAL A 63 1.142 -8.084 -0.437 1.00 0.00 C ATOM 989 CG1 VAL A 63 1.294 -9.345 -1.275 1.00 0.00 C ATOM 990 CG2 VAL A 63 -0.388 -7.708 -0.472 1.00 0.00 C ATOM 0 H VAL A 63 1.919 -5.971 1.055 1.00 0.00 H new ATOM 0 HA VAL A 63 1.145 -8.808 1.506 1.00 0.00 H new ATOM 0 HB VAL A 63 1.781 -7.331 -0.897 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.821 -9.196 -2.246 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.353 -9.562 -1.416 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.817 -10.181 -0.764 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.748 -7.745 -1.500 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.951 -8.417 0.135 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.525 -6.702 -0.075 1.00 0.00 H new ATOM 1000 N ASP A 64 3.249 -9.786 1.664 1.00 0.00 N ATOM 1001 CA ASP A 64 4.470 -10.680 1.499 1.00 0.00 C ATOM 1002 C ASP A 64 4.647 -11.109 -0.015 1.00 0.00 C ATOM 1003 O ASP A 64 3.863 -11.930 -0.553 1.00 0.00 O ATOM 1004 CB ASP A 64 4.429 -11.851 2.545 1.00 0.00 C ATOM 1005 CG ASP A 64 5.864 -12.307 3.064 1.00 0.00 C ATOM 1006 OD1 ASP A 64 6.860 -12.388 2.335 1.00 0.00 O ATOM 1007 OD2 ASP A 64 5.905 -12.498 4.415 1.00 0.00 O ATOM 0 H ASP A 64 2.501 -10.204 2.217 1.00 0.00 H new ATOM 0 HA ASP A 64 5.384 -10.133 1.731 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.827 -11.541 3.399 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.927 -12.708 2.096 1.00 0.00 H new ATOM 1013 N VAL A 65 5.603 -10.439 -0.651 1.00 0.00 N ATOM 1014 CA VAL A 65 5.982 -10.679 -2.109 1.00 0.00 C ATOM 1015 C VAL A 65 6.301 -12.213 -2.440 1.00 0.00 C ATOM 1016 O VAL A 65 5.781 -12.742 -3.379 1.00 0.00 O ATOM 1017 CB VAL A 65 7.012 -9.637 -2.581 1.00 0.00 C ATOM 1018 CG1 VAL A 65 8.466 -10.053 -2.204 1.00 0.00 C ATOM 1019 CG2 VAL A 65 6.877 -9.413 -4.068 1.00 0.00 C ATOM 0 H VAL A 65 6.157 -9.709 -0.204 1.00 0.00 H new ATOM 0 HA VAL A 65 5.106 -10.504 -2.734 1.00 0.00 H new ATOM 0 HB VAL A 65 6.806 -8.699 -2.066 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.164 -9.293 -2.554 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.548 -10.150 -1.121 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.704 -11.008 -2.673 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.610 -8.674 -4.393 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.050 -10.352 -4.595 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.873 -9.051 -4.292 1.00 0.00 H new ATOM 1029 N ASP A 66 7.072 -12.920 -1.600 1.00 0.00 N ATOM 1030 CA ASP A 66 7.304 -14.418 -1.663 1.00 0.00 C ATOM 1031 C ASP A 66 5.973 -15.235 -1.792 1.00 0.00 C ATOM 1032 O ASP A 66 5.870 -16.025 -2.769 1.00 0.00 O ATOM 1033 CB ASP A 66 8.331 -14.961 -0.667 1.00 0.00 C ATOM 1034 CG ASP A 66 9.743 -14.414 -0.727 1.00 0.00 C ATOM 1035 OD1 ASP A 66 10.105 -13.352 -0.243 1.00 0.00 O ATOM 1036 OD2 ASP A 66 10.526 -15.131 -1.555 1.00 0.00 O ATOM 0 H ASP A 66 7.575 -12.479 -0.830 1.00 0.00 H new ATOM 0 HA ASP A 66 7.817 -14.590 -2.609 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.947 -14.783 0.338 1.00 0.00 H new ATOM 0 HB3 ASP A 66 8.386 -16.041 -0.801 1.00 0.00 H new ATOM 1042 N GLU A 67 4.938 -14.954 -1.038 1.00 0.00 N ATOM 1043 CA GLU A 67 3.512 -15.412 -1.209 1.00 0.00 C ATOM 1044 C GLU A 67 2.723 -15.096 -2.511 1.00 0.00 C ATOM 1045 O GLU A 67 1.984 -15.944 -3.027 1.00 0.00 O ATOM 1046 CB GLU A 67 2.651 -15.221 0.064 1.00 0.00 C ATOM 1047 CG GLU A 67 3.240 -15.825 1.374 1.00 0.00 C ATOM 1048 CD GLU A 67 2.376 -15.732 2.641 1.00 0.00 C ATOM 1049 OE1 GLU A 67 2.303 -14.652 3.269 1.00 0.00 O ATOM 1050 OE2 GLU A 67 1.750 -16.927 3.008 1.00 0.00 O ATOM 0 H GLU A 67 5.040 -14.357 -0.218 1.00 0.00 H new ATOM 0 HA GLU A 67 3.709 -16.471 -1.374 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.493 -14.153 0.217 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.672 -15.666 -0.112 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.460 -16.877 1.192 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.190 -15.331 1.576 1.00 0.00 H new ATOM 1058 N LEU A 68 2.871 -13.872 -3.079 1.00 0.00 N ATOM 1059 CA LEU A 68 1.917 -13.319 -4.085 1.00 0.00 C ATOM 1060 C LEU A 68 2.684 -12.369 -5.086 1.00 0.00 C ATOM 1061 O LEU A 68 2.385 -11.161 -5.276 1.00 0.00 O ATOM 1062 CB LEU A 68 0.743 -12.583 -3.345 1.00 0.00 C ATOM 1063 CG LEU A 68 -0.320 -13.319 -2.553 1.00 0.00 C ATOM 1064 CD1 LEU A 68 -1.290 -12.314 -1.866 1.00 0.00 C ATOM 1065 CD2 LEU A 68 -1.250 -14.194 -3.400 1.00 0.00 C ATOM 0 H LEU A 68 3.644 -13.244 -2.859 1.00 0.00 H new ATOM 0 HA LEU A 68 1.482 -14.126 -4.674 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.205 -11.874 -2.659 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.218 -11.999 -4.101 1.00 0.00 H new ATOM 0 HG LEU A 68 0.258 -13.931 -1.861 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.045 -12.864 -1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.728 -11.672 -1.188 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.778 -11.702 -2.625 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.979 -14.683 -2.753 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.771 -13.573 -4.128 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.663 -14.950 -3.922 1.00 0.00 H new ATOM 1077 N LYS A 69 3.709 -12.946 -5.655 1.00 0.00 N ATOM 1078 CA LYS A 69 4.411 -12.367 -6.835 1.00 0.00 C ATOM 1079 C LYS A 69 3.661 -12.274 -8.163 1.00 0.00 C ATOM 1080 O LYS A 69 3.909 -11.193 -8.699 1.00 0.00 O ATOM 1081 CB LYS A 69 5.808 -13.033 -6.954 1.00 0.00 C ATOM 1082 CG LYS A 69 5.898 -14.546 -7.067 1.00 0.00 C ATOM 1083 CD LYS A 69 7.324 -14.974 -7.457 1.00 0.00 C ATOM 1084 CE LYS A 69 8.175 -15.018 -6.193 1.00 0.00 C ATOM 1085 NZ LYS A 69 9.604 -15.158 -6.518 1.00 0.00 N ATOM 0 H LYS A 69 4.102 -13.831 -5.335 1.00 0.00 H new ATOM 0 HA LYS A 69 4.498 -11.302 -6.618 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.301 -12.608 -7.828 1.00 0.00 H new ATOM 0 HB3 LYS A 69 6.390 -12.733 -6.083 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.621 -15.004 -6.118 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.188 -14.904 -7.813 1.00 0.00 H new ATOM 0 HD2 LYS A 69 7.308 -15.952 -7.938 1.00 0.00 H new ATOM 0 HD3 LYS A 69 7.748 -14.272 -8.175 1.00 0.00 H new ATOM 0 HE2 LYS A 69 8.018 -14.108 -5.614 1.00 0.00 H new ATOM 0 HE3 LYS A 69 7.858 -15.852 -5.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 10.159 -15.185 -5.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 9.754 -16.039 -7.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 9.910 -14.349 -7.095 1.00 0.00 H new ATOM 1098 N ALA A 70 2.873 -13.236 -8.612 1.00 0.00 N ATOM 1099 CA ALA A 70 2.010 -13.079 -9.826 1.00 0.00 C ATOM 1100 C ALA A 70 1.270 -11.738 -9.993 1.00 0.00 C ATOM 1101 O ALA A 70 1.640 -11.016 -10.898 1.00 0.00 O ATOM 1102 CB ALA A 70 1.199 -14.373 -10.208 1.00 0.00 C ATOM 0 H ALA A 70 2.796 -14.150 -8.167 1.00 0.00 H new ATOM 0 HA ALA A 70 2.742 -12.980 -10.628 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.599 -14.177 -11.097 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.892 -15.190 -10.410 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.544 -14.649 -9.382 1.00 0.00 H new ATOM 1108 N VAL A 71 0.357 -11.477 -9.080 1.00 0.00 N ATOM 1109 CA VAL A 71 -0.225 -10.158 -8.895 1.00 0.00 C ATOM 1110 C VAL A 71 0.708 -8.984 -8.550 1.00 0.00 C ATOM 1111 O VAL A 71 0.587 -7.885 -9.125 1.00 0.00 O ATOM 1112 CB VAL A 71 -1.365 -10.346 -7.845 1.00 0.00 C ATOM 1113 CG1 VAL A 71 -0.990 -10.457 -6.357 1.00 0.00 C ATOM 1114 CG2 VAL A 71 -2.389 -9.095 -7.938 1.00 0.00 C ATOM 0 H VAL A 71 -0.007 -12.180 -8.437 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.576 -9.822 -9.871 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.770 -11.318 -8.126 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.895 -10.584 -5.762 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.336 -11.316 -6.210 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.474 -9.550 -6.043 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.187 -9.223 -7.206 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.852 -8.169 -7.732 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.819 -9.050 -8.939 1.00 0.00 H new ATOM 1124 N ALA A 72 1.726 -9.050 -7.610 1.00 0.00 N ATOM 1125 CA ALA A 72 2.716 -7.910 -7.266 1.00 0.00 C ATOM 1126 C ALA A 72 3.403 -7.318 -8.545 1.00 0.00 C ATOM 1127 O ALA A 72 3.348 -6.128 -8.872 1.00 0.00 O ATOM 1128 CB ALA A 72 3.925 -8.361 -6.269 1.00 0.00 C ATOM 0 H ALA A 72 1.896 -9.892 -7.060 1.00 0.00 H new ATOM 0 HA ALA A 72 2.087 -7.171 -6.770 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.575 -7.508 -6.076 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.507 -8.718 -5.328 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.503 -9.159 -6.735 1.00 0.00 H new ATOM 1134 N GLU A 73 3.917 -8.302 -9.253 1.00 0.00 N ATOM 1135 CA GLU A 73 4.555 -8.114 -10.604 1.00 0.00 C ATOM 1136 C GLU A 73 3.514 -7.466 -11.555 1.00 0.00 C ATOM 1137 O GLU A 73 3.918 -6.408 -12.059 1.00 0.00 O ATOM 1138 CB GLU A 73 4.975 -9.436 -11.314 1.00 0.00 C ATOM 1139 CG GLU A 73 6.279 -10.030 -10.758 1.00 0.00 C ATOM 1140 CD GLU A 73 6.464 -11.484 -10.821 1.00 0.00 C ATOM 1141 OE1 GLU A 73 5.706 -12.235 -11.364 1.00 0.00 O ATOM 1142 OE2 GLU A 73 7.612 -11.887 -10.164 1.00 0.00 O ATOM 0 H GLU A 73 3.920 -9.271 -8.934 1.00 0.00 H new ATOM 0 HA GLU A 73 5.446 -7.514 -10.419 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.175 -10.168 -11.208 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.095 -9.247 -12.381 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.109 -9.566 -11.291 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.362 -9.729 -9.714 1.00 0.00 H new ATOM 1150 N GLU A 74 2.247 -7.968 -11.748 1.00 0.00 N ATOM 1151 CA GLU A 74 1.168 -7.338 -12.539 1.00 0.00 C ATOM 1152 C GLU A 74 0.926 -5.833 -12.287 1.00 0.00 C ATOM 1153 O GLU A 74 0.762 -5.089 -13.265 1.00 0.00 O ATOM 1154 CB GLU A 74 -0.051 -8.244 -12.814 1.00 0.00 C ATOM 1155 CG GLU A 74 -1.351 -8.013 -12.033 1.00 0.00 C ATOM 1156 CD GLU A 74 -2.400 -7.170 -12.826 1.00 0.00 C ATOM 1157 OE1 GLU A 74 -2.121 -6.541 -13.844 1.00 0.00 O ATOM 1158 OE2 GLU A 74 -3.637 -7.126 -12.222 1.00 0.00 O ATOM 0 H GLU A 74 1.955 -8.854 -11.336 1.00 0.00 H new ATOM 0 HA GLU A 74 1.586 -7.263 -13.543 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.287 -8.162 -13.875 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.259 -9.274 -12.636 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.789 -8.977 -11.775 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.120 -7.506 -11.096 1.00 0.00 H new ATOM 1166 N TRP A 75 0.707 -5.395 -11.032 1.00 0.00 N ATOM 1167 CA TRP A 75 0.596 -3.978 -10.646 1.00 0.00 C ATOM 1168 C TRP A 75 1.789 -3.070 -11.148 1.00 0.00 C ATOM 1169 O TRP A 75 1.557 -2.010 -11.755 1.00 0.00 O ATOM 1170 CB TRP A 75 0.327 -3.718 -9.123 1.00 0.00 C ATOM 1171 CG TRP A 75 -0.863 -4.497 -8.547 1.00 0.00 C ATOM 1172 CD1 TRP A 75 -0.742 -5.217 -7.409 1.00 0.00 C ATOM 1173 CD2 TRP A 75 -2.188 -4.616 -8.937 1.00 0.00 C ATOM 1174 NE1 TRP A 75 -1.957 -5.823 -7.008 1.00 0.00 N ATOM 1175 CE2 TRP A 75 -2.801 -5.516 -8.078 1.00 0.00 C ATOM 1176 CE3 TRP A 75 -2.899 -4.102 -10.099 1.00 0.00 C ATOM 1177 CZ2 TRP A 75 -4.171 -5.931 -8.290 1.00 0.00 C ATOM 1178 CZ3 TRP A 75 -4.260 -4.410 -10.207 1.00 0.00 C ATOM 1179 CH2 TRP A 75 -4.880 -5.330 -9.350 1.00 0.00 C ATOM 0 H TRP A 75 0.600 -6.032 -10.242 1.00 0.00 H new ATOM 0 HA TRP A 75 -0.304 -3.675 -11.181 1.00 0.00 H new ATOM 0 HB2 TRP A 75 1.223 -3.978 -8.559 1.00 0.00 H new ATOM 0 HB3 TRP A 75 0.154 -2.652 -8.974 1.00 0.00 H new ATOM 0 HD1 TRP A 75 0.184 -5.319 -6.863 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -2.163 -6.348 -6.158 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -2.396 -3.507 -10.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -4.634 -6.675 -7.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -4.849 -3.925 -10.972 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -5.919 -5.583 -9.504 1.00 0.00 H new ATOM 1190 N ASN A 76 2.955 -3.559 -10.812 1.00 0.00 N ATOM 1191 CA ASN A 76 4.226 -3.256 -11.494 1.00 0.00 C ATOM 1192 C ASN A 76 5.304 -3.421 -10.322 1.00 0.00 C ATOM 1193 O ASN A 76 5.399 -2.531 -9.470 1.00 0.00 O ATOM 1194 CB ASN A 76 4.521 -1.903 -12.129 1.00 0.00 C ATOM 1195 CG ASN A 76 5.847 -1.675 -12.843 1.00 0.00 C ATOM 1196 OD1 ASN A 76 6.732 -1.006 -12.366 1.00 0.00 O ATOM 1197 ND2 ASN A 76 5.905 -2.227 -13.996 1.00 0.00 N ATOM 0 H ASN A 76 3.069 -4.204 -10.030 1.00 0.00 H new ATOM 0 HA ASN A 76 4.221 -3.907 -12.368 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.726 -1.700 -12.847 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.441 -1.151 -11.344 1.00 0.00 H new ATOM 0 HD21 ASN A 76 6.738 -2.114 -14.574 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.119 -2.780 -14.337 1.00 0.00 H new ATOM 1204 N VAL A 77 6.012 -4.532 -10.153 1.00 0.00 N ATOM 1205 CA VAL A 77 6.935 -4.797 -8.986 1.00 0.00 C ATOM 1206 C VAL A 77 7.923 -5.832 -9.669 1.00 0.00 C ATOM 1207 O VAL A 77 7.942 -7.006 -9.258 1.00 0.00 O ATOM 1208 CB VAL A 77 6.245 -5.339 -7.698 1.00 0.00 C ATOM 1209 CG1 VAL A 77 7.223 -5.331 -6.503 1.00 0.00 C ATOM 1210 CG2 VAL A 77 5.094 -4.557 -7.131 1.00 0.00 C ATOM 0 H VAL A 77 5.981 -5.305 -10.818 1.00 0.00 H new ATOM 0 HA VAL A 77 7.402 -3.901 -8.577 1.00 0.00 H new ATOM 0 HB VAL A 77 5.901 -6.308 -8.058 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.717 -5.714 -5.616 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.082 -5.962 -6.732 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.561 -4.312 -6.316 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.719 -5.057 -6.238 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.429 -3.553 -6.871 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.298 -4.493 -7.872 1.00 0.00 H new ATOM 1220 N GLU A 78 8.837 -5.349 -10.514 1.00 0.00 N ATOM 1221 CA GLU A 78 10.210 -5.895 -10.757 1.00 0.00 C ATOM 1222 C GLU A 78 11.259 -5.746 -9.540 1.00 0.00 C ATOM 1223 O GLU A 78 12.441 -6.160 -9.703 1.00 0.00 O ATOM 1224 CB GLU A 78 10.729 -5.441 -12.199 1.00 0.00 C ATOM 1225 CG GLU A 78 11.239 -3.955 -12.318 1.00 0.00 C ATOM 1226 CD GLU A 78 10.142 -2.965 -12.685 1.00 0.00 C ATOM 1227 OE1 GLU A 78 9.351 -2.626 -11.884 1.00 0.00 O ATOM 1228 OE2 GLU A 78 10.220 -2.404 -13.872 1.00 0.00 O ATOM 0 H GLU A 78 8.648 -4.525 -11.085 1.00 0.00 H new ATOM 0 HA GLU A 78 10.125 -6.981 -10.778 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.539 -6.106 -12.497 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.920 -5.584 -12.915 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.686 -3.655 -11.370 1.00 0.00 H new ATOM 0 HG3 GLU A 78 12.026 -3.908 -13.070 1.00 0.00 H new ATOM 1236 N ALA A 79 10.964 -4.975 -8.460 1.00 0.00 N ATOM 1237 CA ALA A 79 11.962 -4.450 -7.457 1.00 0.00 C ATOM 1238 C ALA A 79 11.251 -4.288 -5.978 1.00 0.00 C ATOM 1239 O ALA A 79 10.080 -3.974 -5.733 1.00 0.00 O ATOM 1240 CB ALA A 79 12.723 -3.214 -7.807 1.00 0.00 C ATOM 0 H ALA A 79 10.009 -4.688 -8.247 1.00 0.00 H new ATOM 0 HA ALA A 79 12.736 -5.218 -7.454 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.400 -2.960 -6.991 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.299 -3.387 -8.716 1.00 0.00 H new ATOM 0 HB3 ALA A 79 12.026 -2.392 -7.970 1.00 0.00 H new ATOM 1246 N MET A 80 12.012 -4.645 -4.999 1.00 0.00 N ATOM 1247 CA MET A 80 11.811 -4.320 -3.452 1.00 0.00 C ATOM 1248 C MET A 80 12.249 -2.837 -3.111 1.00 0.00 C ATOM 1249 O MET A 80 13.410 -2.511 -3.208 1.00 0.00 O ATOM 1250 CB MET A 80 12.601 -5.306 -2.527 1.00 0.00 C ATOM 1251 CG MET A 80 11.860 -6.737 -2.512 1.00 0.00 C ATOM 1252 SD MET A 80 10.139 -6.706 -2.003 1.00 0.00 S ATOM 1253 CE MET A 80 9.176 -6.628 -3.437 1.00 0.00 C ATOM 0 H MET A 80 12.853 -5.199 -5.162 1.00 0.00 H new ATOM 0 HA MET A 80 10.745 -4.441 -3.258 1.00 0.00 H new ATOM 0 HB2 MET A 80 13.624 -5.418 -2.886 1.00 0.00 H new ATOM 0 HB3 MET A 80 12.660 -4.904 -1.515 1.00 0.00 H new ATOM 0 HG2 MET A 80 11.918 -7.168 -3.511 1.00 0.00 H new ATOM 0 HG3 MET A 80 12.407 -7.404 -1.845 1.00 0.00 H new ATOM 0 HE1 MET A 80 8.153 -6.925 -3.205 1.00 0.00 H new ATOM 0 HE2 MET A 80 9.179 -5.608 -3.822 1.00 0.00 H new ATOM 0 HE3 MET A 80 9.588 -7.301 -4.189 1.00 0.00 H new ATOM 1263 N PRO A 81 11.346 -1.790 -2.641 1.00 0.00 N ATOM 1264 CA PRO A 81 9.876 -2.237 -2.458 1.00 0.00 C ATOM 1265 C PRO A 81 9.079 -1.016 -2.612 1.00 0.00 C ATOM 1266 O PRO A 81 9.203 0.184 -2.293 1.00 0.00 O ATOM 1267 CB PRO A 81 9.909 -2.449 -0.822 1.00 0.00 C ATOM 1268 CG PRO A 81 10.862 -1.252 -0.348 1.00 0.00 C ATOM 1269 CD PRO A 81 11.769 -0.924 -1.619 1.00 0.00 C ATOM 0 HA PRO A 81 9.525 -3.053 -3.089 1.00 0.00 H new ATOM 0 HB2 PRO A 81 8.915 -2.377 -0.382 1.00 0.00 H new ATOM 0 HB3 PRO A 81 10.311 -3.424 -0.545 1.00 0.00 H new ATOM 0 HG2 PRO A 81 10.281 -0.382 -0.042 1.00 0.00 H new ATOM 0 HG3 PRO A 81 11.471 -1.546 0.507 1.00 0.00 H new ATOM 0 HD2 PRO A 81 11.654 0.117 -1.920 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.824 -1.076 -1.393 1.00 0.00 H new ATOM 1277 N THR A 82 7.997 -1.454 -3.261 1.00 0.00 N ATOM 1278 CA THR A 82 7.018 -0.714 -4.224 1.00 0.00 C ATOM 1279 C THR A 82 5.574 -0.553 -3.433 1.00 0.00 C ATOM 1280 O THR A 82 4.763 -1.487 -3.180 1.00 0.00 O ATOM 1281 CB THR A 82 6.717 -1.435 -5.526 1.00 0.00 C ATOM 1282 OG1 THR A 82 7.794 -1.870 -6.180 1.00 0.00 O ATOM 1283 CG2 THR A 82 5.998 -0.524 -6.556 1.00 0.00 C ATOM 0 H THR A 82 7.710 -2.426 -3.150 1.00 0.00 H new ATOM 0 HA THR A 82 7.507 0.224 -4.486 1.00 0.00 H new ATOM 0 HB THR A 82 6.101 -2.269 -5.189 1.00 0.00 H new ATOM 0 HG1 THR A 82 7.532 -2.178 -7.073 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.806 -1.088 -7.469 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.053 -0.177 -6.138 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.629 0.334 -6.786 1.00 0.00 H new ATOM 1291 N PHE A 83 5.310 0.733 -3.165 1.00 0.00 N ATOM 1292 CA PHE A 83 4.020 1.363 -2.775 1.00 0.00 C ATOM 1293 C PHE A 83 3.163 1.795 -4.009 1.00 0.00 C ATOM 1294 O PHE A 83 3.456 2.669 -4.829 1.00 0.00 O ATOM 1295 CB PHE A 83 4.215 2.552 -1.756 1.00 0.00 C ATOM 1296 CG PHE A 83 5.025 2.553 -0.454 1.00 0.00 C ATOM 1297 CD1 PHE A 83 4.421 1.950 0.621 1.00 0.00 C ATOM 1298 CD2 PHE A 83 6.331 3.064 -0.409 1.00 0.00 C ATOM 1299 CE1 PHE A 83 5.055 2.005 1.852 1.00 0.00 C ATOM 1300 CE2 PHE A 83 6.939 3.055 0.831 1.00 0.00 C ATOM 1301 CZ PHE A 83 6.362 2.503 1.963 1.00 0.00 C ATOM 0 H PHE A 83 6.053 1.430 -3.217 1.00 0.00 H new ATOM 0 HA PHE A 83 3.455 0.588 -2.257 1.00 0.00 H new ATOM 0 HB2 PHE A 83 4.626 3.370 -2.348 1.00 0.00 H new ATOM 0 HB3 PHE A 83 3.207 2.845 -1.464 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.473 1.444 0.510 1.00 0.00 H new ATOM 0 HD2 PHE A 83 6.830 3.441 -1.290 1.00 0.00 H new ATOM 0 HE1 PHE A 83 4.538 1.661 2.735 1.00 0.00 H new ATOM 0 HE2 PHE A 83 7.918 3.503 0.923 1.00 0.00 H new ATOM 0 HZ PHE A 83 6.900 2.458 2.899 1.00 0.00 H new ATOM 1311 N ILE A 84 1.925 1.211 -4.099 1.00 0.00 N ATOM 1312 CA ILE A 84 0.834 1.383 -5.046 1.00 0.00 C ATOM 1313 C ILE A 84 -0.336 2.141 -4.427 1.00 0.00 C ATOM 1314 O ILE A 84 -0.582 2.314 -3.166 1.00 0.00 O ATOM 1315 CB ILE A 84 0.767 -0.079 -5.726 1.00 0.00 C ATOM 1316 CG1 ILE A 84 1.763 -0.213 -6.902 1.00 0.00 C ATOM 1317 CG2 ILE A 84 -0.588 -0.510 -6.224 1.00 0.00 C ATOM 1318 CD1 ILE A 84 2.626 -1.541 -6.845 1.00 0.00 C ATOM 0 H ILE A 84 1.661 0.517 -3.399 1.00 0.00 H new ATOM 0 HA ILE A 84 0.911 2.077 -5.883 1.00 0.00 H new ATOM 0 HB ILE A 84 1.031 -0.738 -4.899 1.00 0.00 H new ATOM 0 HG12 ILE A 84 1.211 -0.187 -7.841 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.432 0.647 -6.902 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.515 -1.506 -6.661 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.292 -0.529 -5.392 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.938 0.193 -6.980 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.303 -1.572 -7.698 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.205 -1.559 -5.922 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.964 -2.407 -6.876 1.00 0.00 H new ATOM 1330 N PHE A 85 -0.999 2.746 -5.408 1.00 0.00 N ATOM 1331 CA PHE A 85 -2.049 3.789 -5.301 1.00 0.00 C ATOM 1332 C PHE A 85 -3.223 3.506 -6.223 1.00 0.00 C ATOM 1333 O PHE A 85 -3.128 3.617 -7.461 1.00 0.00 O ATOM 1334 CB PHE A 85 -1.373 5.143 -5.392 1.00 0.00 C ATOM 1335 CG PHE A 85 -0.511 5.710 -4.217 1.00 0.00 C ATOM 1336 CD1 PHE A 85 0.817 5.303 -4.073 1.00 0.00 C ATOM 1337 CD2 PHE A 85 -1.078 6.612 -3.254 1.00 0.00 C ATOM 1338 CE1 PHE A 85 1.445 5.679 -2.874 1.00 0.00 C ATOM 1339 CE2 PHE A 85 -0.354 7.055 -2.169 1.00 0.00 C ATOM 1340 CZ PHE A 85 0.929 6.575 -2.008 1.00 0.00 C ATOM 0 H PHE A 85 -0.811 2.510 -6.382 1.00 0.00 H new ATOM 0 HA PHE A 85 -2.548 3.784 -4.332 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.730 5.117 -6.272 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -2.156 5.875 -5.591 1.00 0.00 H new ATOM 0 HD1 PHE A 85 1.329 4.735 -4.835 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -2.095 6.951 -3.383 1.00 0.00 H new ATOM 0 HE1 PHE A 85 2.395 5.225 -2.632 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.778 7.757 -1.466 1.00 0.00 H new ATOM 0 HZ PHE A 85 1.528 6.921 -1.178 1.00 0.00 H new ATOM 1350 N LEU A 86 -4.312 3.112 -5.634 1.00 0.00 N ATOM 1351 CA LEU A 86 -5.441 2.567 -6.268 1.00 0.00 C ATOM 1352 C LEU A 86 -6.569 3.210 -5.456 1.00 0.00 C ATOM 1353 O LEU A 86 -6.757 3.095 -4.232 1.00 0.00 O ATOM 1354 CB LEU A 86 -5.264 0.980 -6.202 1.00 0.00 C ATOM 1355 CG LEU A 86 -6.233 0.013 -7.027 1.00 0.00 C ATOM 1356 CD1 LEU A 86 -7.694 0.359 -7.270 1.00 0.00 C ATOM 1357 CD2 LEU A 86 -5.626 -0.347 -8.381 1.00 0.00 C ATOM 0 H LEU A 86 -4.427 3.174 -4.622 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.625 2.758 -7.325 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.245 0.758 -6.519 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.342 0.693 -5.153 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.292 -0.801 -6.304 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.164 -0.435 -7.850 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.207 0.462 -6.314 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.759 1.298 -7.820 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.306 -1.006 -8.921 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.464 0.562 -8.961 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.673 -0.855 -8.229 1.00 0.00 H new ATOM 1369 N LYS A 87 -7.393 3.841 -6.242 1.00 0.00 N ATOM 1370 CA LYS A 87 -8.438 4.759 -5.802 1.00 0.00 C ATOM 1371 C LYS A 87 -9.794 4.253 -6.427 1.00 0.00 C ATOM 1372 O LYS A 87 -9.817 3.292 -7.206 1.00 0.00 O ATOM 1373 CB LYS A 87 -8.066 6.241 -6.119 1.00 0.00 C ATOM 1374 CG LYS A 87 -8.896 7.346 -5.449 1.00 0.00 C ATOM 1375 CD LYS A 87 -8.161 8.687 -4.847 1.00 0.00 C ATOM 1376 CE LYS A 87 -9.091 9.568 -3.921 1.00 0.00 C ATOM 1377 NZ LYS A 87 -8.306 10.568 -3.205 1.00 0.00 N ATOM 0 H LYS A 87 -7.364 3.734 -7.256 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.552 4.760 -4.718 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.023 6.391 -5.842 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.132 6.380 -7.198 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.633 7.682 -6.178 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.446 6.884 -4.629 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.282 8.383 -4.278 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.807 9.299 -5.677 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.853 10.061 -4.525 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.613 8.930 -3.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.935 11.136 -2.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.595 10.093 -2.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.828 11.189 -3.889 1.00 0.00 H new ATOM 1390 N ASP A 88 -10.857 4.927 -6.120 1.00 0.00 N ATOM 1391 CA ASP A 88 -12.107 4.877 -6.971 1.00 0.00 C ATOM 1392 C ASP A 88 -12.016 5.426 -8.502 1.00 0.00 C ATOM 1393 O ASP A 88 -12.813 6.233 -8.950 1.00 0.00 O ATOM 1394 CB ASP A 88 -13.307 5.501 -6.223 1.00 0.00 C ATOM 1395 CG ASP A 88 -13.172 7.029 -5.932 1.00 0.00 C ATOM 1396 OD1 ASP A 88 -13.720 7.924 -6.616 1.00 0.00 O ATOM 1397 OD2 ASP A 88 -12.514 7.245 -4.727 1.00 0.00 O ATOM 0 H ASP A 88 -10.931 5.529 -5.300 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.253 3.807 -7.118 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -14.210 5.335 -6.811 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.441 4.975 -5.278 1.00 0.00 H new ATOM 1403 N GLY A 89 -11.038 4.993 -9.222 1.00 0.00 N ATOM 1404 CA GLY A 89 -10.845 5.131 -10.641 1.00 0.00 C ATOM 1405 C GLY A 89 -9.561 4.573 -11.195 1.00 0.00 C ATOM 1406 O GLY A 89 -8.718 5.316 -11.760 1.00 0.00 O ATOM 0 H GLY A 89 -10.269 4.478 -8.794 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.677 4.644 -11.149 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.894 6.191 -10.892 1.00 0.00 H new ATOM 1410 N LYS A 90 -9.433 3.263 -10.973 1.00 0.00 N ATOM 1411 CA LYS A 90 -8.227 2.381 -11.224 1.00 0.00 C ATOM 1412 C LYS A 90 -6.819 2.748 -10.553 1.00 0.00 C ATOM 1413 O LYS A 90 -6.723 3.611 -9.680 1.00 0.00 O ATOM 1414 CB LYS A 90 -8.205 1.913 -12.746 1.00 0.00 C ATOM 1415 CG LYS A 90 -7.187 0.855 -13.306 1.00 0.00 C ATOM 1416 CD LYS A 90 -7.398 0.431 -14.844 1.00 0.00 C ATOM 1417 CE LYS A 90 -8.664 -0.332 -14.972 1.00 0.00 C ATOM 1418 NZ LYS A 90 -8.806 -0.972 -16.304 1.00 0.00 N ATOM 0 H LYS A 90 -10.209 2.726 -10.586 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.390 1.505 -10.596 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.201 1.528 -12.965 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.073 2.815 -13.344 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.179 1.253 -13.193 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -7.247 -0.042 -12.689 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.429 1.318 -15.477 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -6.559 -0.175 -15.185 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.703 -1.098 -14.198 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -9.507 0.337 -14.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -9.705 -1.493 -16.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.796 -0.241 -17.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -8.017 -1.631 -16.458 1.00 0.00 H new ATOM 1431 N LEU A 91 -5.700 2.090 -11.016 1.00 0.00 N ATOM 1432 CA LEU A 91 -4.269 2.476 -10.718 1.00 0.00 C ATOM 1433 C LEU A 91 -3.945 3.961 -11.130 1.00 0.00 C ATOM 1434 O LEU A 91 -3.602 4.299 -12.280 1.00 0.00 O ATOM 1435 CB LEU A 91 -3.315 1.363 -11.255 1.00 0.00 C ATOM 1436 CG LEU A 91 -1.814 1.667 -11.147 1.00 0.00 C ATOM 1437 CD1 LEU A 91 -1.386 1.657 -9.649 1.00 0.00 C ATOM 1438 CD2 LEU A 91 -1.055 0.493 -11.809 1.00 0.00 C ATOM 0 H LEU A 91 -5.767 1.266 -11.614 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.095 2.510 -9.642 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.521 0.440 -10.712 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.555 1.177 -12.302 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.602 2.631 -11.610 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.320 1.873 -9.574 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.949 2.415 -9.105 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.589 0.676 -9.219 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.018 0.675 -11.751 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.295 -0.435 -11.289 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.353 0.410 -12.854 1.00 0.00 H new ATOM 1450 N VAL A 92 -3.947 4.821 -10.034 1.00 0.00 N ATOM 1451 CA VAL A 92 -3.436 6.179 -10.017 1.00 0.00 C ATOM 1452 C VAL A 92 -1.886 6.383 -10.127 1.00 0.00 C ATOM 1453 O VAL A 92 -1.466 7.227 -10.878 1.00 0.00 O ATOM 1454 CB VAL A 92 -4.213 7.086 -9.004 1.00 0.00 C ATOM 1455 CG1 VAL A 92 -5.768 7.183 -9.287 1.00 0.00 C ATOM 1456 CG2 VAL A 92 -4.022 6.792 -7.517 1.00 0.00 C ATOM 0 H VAL A 92 -4.326 4.538 -9.130 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.681 6.574 -11.003 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.728 8.042 -9.203 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.234 7.829 -8.543 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.932 7.599 -10.281 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.211 6.188 -9.232 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.615 7.492 -6.929 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.345 5.773 -7.303 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.969 6.901 -7.257 1.00 0.00 H new ATOM 1466 N ASP A 93 -1.137 5.686 -9.279 1.00 0.00 N ATOM 1467 CA ASP A 93 0.309 5.889 -9.065 1.00 0.00 C ATOM 1468 C ASP A 93 1.050 4.582 -8.594 1.00 0.00 C ATOM 1469 O ASP A 93 0.466 3.611 -8.171 1.00 0.00 O ATOM 1470 CB ASP A 93 0.535 7.189 -8.141 1.00 0.00 C ATOM 1471 CG ASP A 93 1.908 7.832 -7.866 1.00 0.00 C ATOM 1472 OD1 ASP A 93 2.560 8.530 -8.656 1.00 0.00 O ATOM 1473 OD2 ASP A 93 2.323 7.602 -6.548 1.00 0.00 O ATOM 0 H ASP A 93 -1.522 4.940 -8.700 1.00 0.00 H new ATOM 0 HA ASP A 93 0.793 6.100 -10.019 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.088 7.975 -8.568 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.115 6.944 -7.166 1.00 0.00 H new ATOM 1479 N LYS A 94 2.356 4.715 -8.791 1.00 0.00 N ATOM 1480 CA LYS A 94 3.442 3.731 -8.470 1.00 0.00 C ATOM 1481 C LYS A 94 4.789 4.477 -8.065 1.00 0.00 C ATOM 1482 O LYS A 94 5.154 5.437 -8.731 1.00 0.00 O ATOM 1483 CB LYS A 94 3.617 2.713 -9.633 1.00 0.00 C ATOM 1484 CG LYS A 94 4.052 3.239 -11.083 1.00 0.00 C ATOM 1485 CD LYS A 94 2.867 3.861 -11.904 1.00 0.00 C ATOM 1486 CE LYS A 94 1.668 2.958 -12.278 1.00 0.00 C ATOM 1487 NZ LYS A 94 0.671 3.789 -13.027 1.00 0.00 N ATOM 0 H LYS A 94 2.736 5.565 -9.208 1.00 0.00 H new ATOM 0 HA LYS A 94 3.152 3.150 -7.595 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.358 1.979 -9.316 1.00 0.00 H new ATOM 0 HB3 LYS A 94 2.672 2.183 -9.748 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.837 3.987 -10.969 1.00 0.00 H new ATOM 0 HG3 LYS A 94 4.480 2.411 -11.648 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.479 4.707 -11.336 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.281 4.262 -12.830 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.000 2.120 -12.890 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.214 2.537 -11.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -0.145 3.200 -13.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.352 4.575 -12.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.113 4.170 -13.888 1.00 0.00 H new ATOM 1500 N THR A 95 5.491 4.055 -7.001 1.00 0.00 N ATOM 1501 CA THR A 95 6.751 4.593 -6.386 1.00 0.00 C ATOM 1502 C THR A 95 7.319 3.472 -5.420 1.00 0.00 C ATOM 1503 O THR A 95 6.507 2.848 -4.793 1.00 0.00 O ATOM 1504 CB THR A 95 6.441 5.968 -5.597 1.00 0.00 C ATOM 1505 OG1 THR A 95 6.036 6.982 -6.500 1.00 0.00 O ATOM 1506 CG2 THR A 95 7.614 6.406 -4.649 1.00 0.00 C ATOM 0 H THR A 95 5.168 3.239 -6.481 1.00 0.00 H new ATOM 0 HA THR A 95 7.495 4.830 -7.147 1.00 0.00 H new ATOM 0 HB THR A 95 5.602 5.784 -4.926 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.812 6.579 -7.365 1.00 0.00 H new ATOM 0 HG21 THR A 95 7.348 7.336 -4.146 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.790 5.629 -3.905 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.519 6.558 -5.237 1.00 0.00 H new ATOM 1514 N VAL A 96 8.636 3.305 -5.468 1.00 0.00 N ATOM 1515 CA VAL A 96 9.353 2.125 -4.963 1.00 0.00 C ATOM 1516 C VAL A 96 10.582 2.849 -4.311 1.00 0.00 C ATOM 1517 O VAL A 96 11.503 3.379 -5.004 1.00 0.00 O ATOM 1518 CB VAL A 96 9.705 1.141 -6.153 1.00 0.00 C ATOM 1519 CG1 VAL A 96 10.099 1.730 -7.546 1.00 0.00 C ATOM 1520 CG2 VAL A 96 10.636 0.069 -5.763 1.00 0.00 C ATOM 0 H VAL A 96 9.259 4.005 -5.871 1.00 0.00 H new ATOM 0 HA VAL A 96 8.825 1.470 -4.271 1.00 0.00 H new ATOM 0 HB VAL A 96 8.711 0.735 -6.341 1.00 0.00 H new ATOM 0 HG11 VAL A 96 10.307 0.915 -8.240 1.00 0.00 H new ATOM 0 HG12 VAL A 96 9.278 2.334 -7.931 1.00 0.00 H new ATOM 0 HG13 VAL A 96 10.988 2.352 -7.440 1.00 0.00 H new ATOM 0 HG21 VAL A 96 10.836 -0.570 -6.623 1.00 0.00 H new ATOM 0 HG22 VAL A 96 11.570 0.508 -5.412 1.00 0.00 H new ATOM 0 HG23 VAL A 96 10.192 -0.526 -4.965 1.00 0.00 H new ATOM 1530 N GLY A 97 10.589 2.917 -2.976 1.00 0.00 N ATOM 1531 CA GLY A 97 11.711 3.276 -2.158 1.00 0.00 C ATOM 1532 C GLY A 97 11.215 3.517 -0.750 1.00 0.00 C ATOM 1533 O GLY A 97 10.546 4.469 -0.561 1.00 0.00 O ATOM 0 H GLY A 97 9.757 2.708 -2.424 1.00 0.00 H new ATOM 0 HA2 GLY A 97 12.457 2.481 -2.167 1.00 0.00 H new ATOM 0 HA3 GLY A 97 12.195 4.171 -2.549 1.00 0.00 H new ATOM 1537 N ALA A 98 11.718 2.708 0.218 1.00 0.00 N ATOM 1538 CA ALA A 98 11.661 2.970 1.638 1.00 0.00 C ATOM 1539 C ALA A 98 12.379 4.251 2.037 1.00 0.00 C ATOM 1540 O ALA A 98 13.560 4.470 1.710 1.00 0.00 O ATOM 1541 CB ALA A 98 12.367 1.722 2.150 1.00 0.00 C ATOM 0 H ALA A 98 12.187 1.829 -0.001 1.00 0.00 H new ATOM 0 HA ALA A 98 10.658 3.134 2.033 1.00 0.00 H new ATOM 0 HB1 ALA A 98 12.416 1.752 3.238 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.814 0.837 1.836 1.00 0.00 H new ATOM 0 HB3 ALA A 98 13.377 1.682 1.743 1.00 0.00 H new ATOM 1547 N ASP A 99 11.622 5.236 2.548 1.00 0.00 N ATOM 1548 CA ASP A 99 12.086 6.601 2.918 1.00 0.00 C ATOM 1549 C ASP A 99 11.035 7.146 3.900 1.00 0.00 C ATOM 1550 O ASP A 99 9.871 7.405 3.576 1.00 0.00 O ATOM 1551 CB ASP A 99 12.182 7.430 1.656 1.00 0.00 C ATOM 1552 CG ASP A 99 13.069 8.759 1.781 1.00 0.00 C ATOM 1553 OD1 ASP A 99 14.261 8.783 1.989 1.00 0.00 O ATOM 1554 OD2 ASP A 99 12.390 9.944 1.392 1.00 0.00 O ATOM 0 H ASP A 99 10.626 5.106 2.726 1.00 0.00 H new ATOM 0 HA ASP A 99 13.070 6.617 3.387 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.597 6.809 0.862 1.00 0.00 H new ATOM 0 HB3 ASP A 99 11.175 7.712 1.347 1.00 0.00 H new ATOM 1560 N LYS A 100 11.462 7.477 5.110 1.00 0.00 N ATOM 1561 CA LYS A 100 10.666 8.091 6.186 1.00 0.00 C ATOM 1562 C LYS A 100 9.689 9.312 5.914 1.00 0.00 C ATOM 1563 O LYS A 100 8.468 9.181 6.061 1.00 0.00 O ATOM 1564 CB LYS A 100 11.423 8.202 7.541 1.00 0.00 C ATOM 1565 CG LYS A 100 12.638 9.117 7.606 1.00 0.00 C ATOM 1566 CD LYS A 100 13.390 8.846 8.964 1.00 0.00 C ATOM 1567 CE LYS A 100 14.660 9.622 9.019 1.00 0.00 C ATOM 1568 NZ LYS A 100 15.203 9.675 10.453 1.00 0.00 N ATOM 0 H LYS A 100 12.429 7.319 5.393 1.00 0.00 H new ATOM 0 HA LYS A 100 9.908 7.310 6.244 1.00 0.00 H new ATOM 0 HB2 LYS A 100 10.711 8.538 8.295 1.00 0.00 H new ATOM 0 HB3 LYS A 100 11.743 7.200 7.828 1.00 0.00 H new ATOM 0 HG2 LYS A 100 13.300 8.929 6.761 1.00 0.00 H new ATOM 0 HG3 LYS A 100 12.331 10.161 7.544 1.00 0.00 H new ATOM 0 HD2 LYS A 100 12.751 9.123 9.802 1.00 0.00 H new ATOM 0 HD3 LYS A 100 13.602 7.782 9.063 1.00 0.00 H new ATOM 0 HE2 LYS A 100 15.400 9.165 8.362 1.00 0.00 H new ATOM 0 HE3 LYS A 100 14.489 10.634 8.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 16.088 10.220 10.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 14.504 10.132 11.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 15.386 8.709 10.791 1.00 0.00 H new ATOM 1581 N ASP A 101 10.233 10.462 5.473 1.00 0.00 N ATOM 1582 CA ASP A 101 9.488 11.650 4.839 1.00 0.00 C ATOM 1583 C ASP A 101 8.812 11.347 3.452 1.00 0.00 C ATOM 1584 O ASP A 101 7.735 11.845 3.259 1.00 0.00 O ATOM 1585 CB ASP A 101 10.482 12.841 4.646 1.00 0.00 C ATOM 1586 CG ASP A 101 11.705 12.751 3.636 1.00 0.00 C ATOM 1587 OD1 ASP A 101 12.816 12.372 4.021 1.00 0.00 O ATOM 1588 OD2 ASP A 101 11.402 13.103 2.333 1.00 0.00 O ATOM 0 H ASP A 101 11.237 10.631 5.535 1.00 0.00 H new ATOM 0 HA ASP A 101 8.681 11.887 5.533 1.00 0.00 H new ATOM 0 HB2 ASP A 101 9.887 13.704 4.346 1.00 0.00 H new ATOM 0 HB3 ASP A 101 10.899 13.067 5.628 1.00 0.00 H new ATOM 1594 N GLY A 102 9.378 10.509 2.550 1.00 0.00 N ATOM 1595 CA GLY A 102 8.805 10.092 1.233 1.00 0.00 C ATOM 1596 C GLY A 102 7.340 9.745 1.145 1.00 0.00 C ATOM 1597 O GLY A 102 6.623 10.520 0.516 1.00 0.00 O ATOM 0 H GLY A 102 10.288 10.082 2.722 1.00 0.00 H new ATOM 0 HA2 GLY A 102 8.995 10.897 0.523 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.369 9.225 0.890 1.00 0.00 H new ATOM 1601 N LEU A 103 6.995 8.615 1.771 1.00 0.00 N ATOM 1602 CA LEU A 103 5.618 8.124 1.981 1.00 0.00 C ATOM 1603 C LEU A 103 4.646 9.298 2.466 1.00 0.00 C ATOM 1604 O LEU A 103 3.735 9.544 1.675 1.00 0.00 O ATOM 1605 CB LEU A 103 5.910 6.828 2.791 1.00 0.00 C ATOM 1606 CG LEU A 103 4.678 6.124 3.329 1.00 0.00 C ATOM 1607 CD1 LEU A 103 3.625 5.720 2.289 1.00 0.00 C ATOM 1608 CD2 LEU A 103 5.068 4.899 4.245 1.00 0.00 C ATOM 0 H LEU A 103 7.695 7.986 2.165 1.00 0.00 H new ATOM 0 HA LEU A 103 4.986 7.836 1.141 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.459 6.134 2.154 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.563 7.078 3.627 1.00 0.00 H new ATOM 0 HG LEU A 103 4.184 6.888 3.929 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.791 5.226 2.788 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.263 6.609 1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 103 4.071 5.037 1.566 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.162 4.417 4.614 1.00 0.00 H new ATOM 0 HD22 LEU A 103 5.650 4.182 3.666 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.661 5.250 5.089 1.00 0.00 H new ATOM 1620 N PRO A 104 4.744 9.960 3.682 1.00 0.00 N ATOM 1621 CA PRO A 104 3.902 11.162 4.011 1.00 0.00 C ATOM 1622 C PRO A 104 3.687 12.250 2.986 1.00 0.00 C ATOM 1623 O PRO A 104 2.534 12.632 2.804 1.00 0.00 O ATOM 1624 CB PRO A 104 4.523 11.712 5.310 1.00 0.00 C ATOM 1625 CG PRO A 104 5.376 10.617 5.943 1.00 0.00 C ATOM 1626 CD PRO A 104 5.739 9.706 4.762 1.00 0.00 C ATOM 0 HA PRO A 104 2.872 10.813 4.080 1.00 0.00 H new ATOM 0 HB2 PRO A 104 5.132 12.590 5.096 1.00 0.00 H new ATOM 0 HB3 PRO A 104 3.740 12.028 5.999 1.00 0.00 H new ATOM 0 HG2 PRO A 104 6.266 11.028 6.419 1.00 0.00 H new ATOM 0 HG3 PRO A 104 4.825 10.075 6.712 1.00 0.00 H new ATOM 0 HD2 PRO A 104 6.749 9.917 4.411 1.00 0.00 H new ATOM 0 HD3 PRO A 104 5.719 8.659 5.064 1.00 0.00 H new ATOM 1634 N THR A 105 4.763 12.668 2.281 1.00 0.00 N ATOM 1635 CA THR A 105 4.703 13.540 1.050 1.00 0.00 C ATOM 1636 C THR A 105 3.793 12.925 -0.075 1.00 0.00 C ATOM 1637 O THR A 105 2.831 13.610 -0.489 1.00 0.00 O ATOM 1638 CB THR A 105 6.122 14.009 0.538 1.00 0.00 C ATOM 1639 OG1 THR A 105 6.964 14.039 1.624 1.00 0.00 O ATOM 1640 CG2 THR A 105 6.093 15.381 -0.118 1.00 0.00 C ATOM 0 H THR A 105 5.716 12.415 2.541 1.00 0.00 H new ATOM 0 HA THR A 105 4.210 14.462 1.358 1.00 0.00 H new ATOM 0 HB THR A 105 6.462 13.309 -0.225 1.00 0.00 H new ATOM 0 HG1 THR A 105 7.856 14.326 1.338 1.00 0.00 H new ATOM 0 HG21 THR A 105 7.097 15.647 -0.449 1.00 0.00 H new ATOM 0 HG22 THR A 105 5.422 15.360 -0.977 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.739 16.120 0.601 1.00 0.00 H new ATOM 1648 N LEU A 106 4.075 11.685 -0.563 1.00 0.00 N ATOM 1649 CA LEU A 106 3.359 10.897 -1.566 1.00 0.00 C ATOM 1650 C LEU A 106 1.888 10.803 -1.409 1.00 0.00 C ATOM 1651 O LEU A 106 1.070 11.234 -2.260 1.00 0.00 O ATOM 1652 CB LEU A 106 4.178 9.565 -1.687 1.00 0.00 C ATOM 1653 CG LEU A 106 3.790 8.630 -2.863 1.00 0.00 C ATOM 1654 CD1 LEU A 106 4.152 9.156 -4.235 1.00 0.00 C ATOM 1655 CD2 LEU A 106 4.425 7.245 -2.706 1.00 0.00 C ATOM 0 H LEU A 106 4.891 11.177 -0.221 1.00 0.00 H new ATOM 0 HA LEU A 106 3.333 11.402 -2.531 1.00 0.00 H new ATOM 0 HB2 LEU A 106 5.234 9.819 -1.784 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.068 9.009 -0.756 1.00 0.00 H new ATOM 0 HG LEU A 106 2.703 8.575 -2.807 1.00 0.00 H new ATOM 0 HD11 LEU A 106 3.843 8.437 -4.994 1.00 0.00 H new ATOM 0 HD12 LEU A 106 3.644 10.105 -4.407 1.00 0.00 H new ATOM 0 HD13 LEU A 106 5.230 9.306 -4.294 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.134 6.614 -3.546 1.00 0.00 H new ATOM 0 HD22 LEU A 106 5.510 7.343 -2.685 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.083 6.791 -1.776 1.00 0.00 H new ATOM 1667 N VAL A 107 1.436 10.271 -0.240 1.00 0.00 N ATOM 1668 CA VAL A 107 0.029 10.310 0.282 1.00 0.00 C ATOM 1669 C VAL A 107 -0.530 11.732 0.384 1.00 0.00 C ATOM 1670 O VAL A 107 -1.641 11.923 -0.212 1.00 0.00 O ATOM 1671 CB VAL A 107 -0.152 9.507 1.637 1.00 0.00 C ATOM 1672 CG1 VAL A 107 -1.337 9.979 2.630 1.00 0.00 C ATOM 1673 CG2 VAL A 107 -0.188 7.980 1.305 1.00 0.00 C ATOM 0 H VAL A 107 2.065 9.781 0.396 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.570 9.792 -0.468 1.00 0.00 H new ATOM 0 HB VAL A 107 0.717 9.748 2.250 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -1.345 9.343 3.515 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.171 11.014 2.928 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.295 9.898 2.117 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -0.312 7.410 2.226 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.022 7.773 0.635 1.00 0.00 H new ATOM 0 HG23 VAL A 107 0.745 7.691 0.822 1.00 0.00 H new ATOM 1683 N ALA A 108 0.097 12.638 1.088 1.00 0.00 N ATOM 1684 CA ALA A 108 -0.370 14.061 0.948 1.00 0.00 C ATOM 1685 C ALA A 108 -0.798 14.684 -0.385 1.00 0.00 C ATOM 1686 O ALA A 108 -1.855 15.295 -0.465 1.00 0.00 O ATOM 1687 CB ALA A 108 0.646 14.940 1.693 1.00 0.00 C ATOM 0 H ALA A 108 0.876 12.474 1.726 1.00 0.00 H new ATOM 0 HA ALA A 108 -1.373 14.014 1.371 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.347 15.985 1.618 1.00 0.00 H new ATOM 0 HB2 ALA A 108 0.680 14.647 2.742 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.633 14.812 1.248 1.00 0.00 H new ATOM 1693 N LYS A 109 0.045 14.546 -1.405 1.00 0.00 N ATOM 1694 CA LYS A 109 -0.317 14.846 -2.819 1.00 0.00 C ATOM 1695 C LYS A 109 -1.570 14.061 -3.309 1.00 0.00 C ATOM 1696 O LYS A 109 -2.539 14.683 -3.767 1.00 0.00 O ATOM 1697 CB LYS A 109 0.890 14.481 -3.741 1.00 0.00 C ATOM 1698 CG LYS A 109 2.172 15.269 -3.668 1.00 0.00 C ATOM 1699 CD LYS A 109 3.339 14.738 -4.488 1.00 0.00 C ATOM 1700 CE LYS A 109 4.530 15.653 -4.507 1.00 0.00 C ATOM 1701 NZ LYS A 109 5.557 15.069 -5.417 1.00 0.00 N ATOM 0 H LYS A 109 1.006 14.223 -1.291 1.00 0.00 H new ATOM 0 HA LYS A 109 -0.556 15.908 -2.869 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.141 13.439 -3.545 1.00 0.00 H new ATOM 0 HB3 LYS A 109 0.537 14.536 -4.771 1.00 0.00 H new ATOM 0 HG2 LYS A 109 1.965 16.290 -3.990 1.00 0.00 H new ATOM 0 HG3 LYS A 109 2.483 15.320 -2.625 1.00 0.00 H new ATOM 0 HD2 LYS A 109 3.642 13.770 -4.088 1.00 0.00 H new ATOM 0 HD3 LYS A 109 3.005 14.569 -5.512 1.00 0.00 H new ATOM 0 HE2 LYS A 109 4.240 16.646 -4.850 1.00 0.00 H new ATOM 0 HE3 LYS A 109 4.936 15.769 -3.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 6.391 15.690 -5.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 5.836 14.130 -5.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 5.162 14.980 -6.375 1.00 0.00 H new ATOM 1714 N HIS A 110 -1.514 12.741 -3.230 1.00 0.00 N ATOM 1715 CA HIS A 110 -2.597 11.778 -3.601 1.00 0.00 C ATOM 1716 C HIS A 110 -4.005 11.877 -2.948 1.00 0.00 C ATOM 1717 O HIS A 110 -5.036 12.038 -3.567 1.00 0.00 O ATOM 1718 CB HIS A 110 -1.887 10.348 -3.795 1.00 0.00 C ATOM 1719 CG HIS A 110 -1.239 10.245 -5.144 1.00 0.00 C ATOM 1720 ND1 HIS A 110 -2.019 9.996 -6.272 1.00 0.00 N ATOM 1721 CD2 HIS A 110 -0.043 10.889 -5.549 1.00 0.00 C ATOM 1722 CE1 HIS A 110 -1.105 10.371 -7.218 1.00 0.00 C ATOM 1723 NE2 HIS A 110 0.042 11.029 -6.872 1.00 0.00 N ATOM 0 H HIS A 110 -0.678 12.265 -2.891 1.00 0.00 H new ATOM 0 HA HIS A 110 -3.045 12.091 -4.544 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -1.138 10.202 -3.016 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -2.625 9.554 -3.681 1.00 0.00 H new ATOM 0 HD2 HIS A 110 0.717 11.229 -4.861 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -1.293 10.143 -8.257 1.00 0.00 H new ATOM 0 HE2 HIS A 110 0.747 11.487 -7.449 1.00 0.00 H new ATOM 1731 N ALA A 111 -4.012 11.790 -1.606 1.00 0.00 N ATOM 1732 CA ALA A 111 -5.158 12.089 -0.701 1.00 0.00 C ATOM 1733 C ALA A 111 -5.746 13.579 -0.793 1.00 0.00 C ATOM 1734 O ALA A 111 -6.988 13.668 -0.727 1.00 0.00 O ATOM 1735 CB ALA A 111 -4.760 11.792 0.729 1.00 0.00 C ATOM 0 H ALA A 111 -3.183 11.496 -1.089 1.00 0.00 H new ATOM 0 HA ALA A 111 -5.967 11.442 -1.042 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -5.597 12.010 1.392 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -4.489 10.740 0.820 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -3.907 12.412 1.005 1.00 0.00 H new