USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 728 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 THR OG1 : rot 180:sc= -0.194 USER MOD Set 1.2: A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.082 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0821 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 165:sc= -3.42! (180deg=-4.29!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.014) USER MOD Single : A 22 CYS SG : rot 20:sc= 0.0555 USER MOD Single : A 29 THR OG1 : rot 116:sc= 0.18 USER MOD Single : A 30 CYS SG : rot 140:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.843 K(o=-0.84,f=-0.14) USER MOD Single : A 39 GLN : amide:sc= -0.181 K(o=-0.18,f=-2.4!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.234! USER MOD Single : A 47 TYR OH : rot 137:sc= -0.529 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -175:sc= 0.498 (180deg=0.47) USER MOD Single : A 56 THR OG1 : rot 73:sc= 0.117 USER MOD Single : A 59 HIS : no HD1:sc= -0.0306 X(o=-0.031,f=-0.25) USER MOD Single : A 63 HIS : no HD1:sc= -5.07! C(o=-5.1!,f=-5.7!) USER MOD Single : A 65 ASN : amide:sc= -3.02! C(o=-3!,f=-12!) USER MOD Single : A 69 SER OG : rot -80:sc= 0.413 USER MOD Single : A 71 ASN : amide:sc= -2.93! C(o=-2.9!,f=-4.4!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc=-0.00379 USER MOD Single : A 81 GLN : amide:sc= -0.702 X(o=-0.7,f=-0.45) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.688 5.450 -18.476 1.00 0.00 N ATOM 2 CA GLY A 1 4.541 5.849 -17.681 1.00 0.00 C ATOM 3 C GLY A 1 4.845 7.025 -16.774 1.00 0.00 C ATOM 4 O GLY A 1 5.964 7.537 -16.765 1.00 0.00 O ATOM 0 H1 GLY A 1 5.480 5.598 -19.484 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.514 6.021 -18.205 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.893 4.444 -18.309 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.716 6.109 -18.344 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.210 5.004 -17.077 1.00 0.00 H new ATOM 8 N SER A 2 3.846 7.455 -16.010 1.00 0.00 N ATOM 9 CA SER A 2 4.011 8.582 -15.099 1.00 0.00 C ATOM 10 C SER A 2 5.275 8.423 -14.261 1.00 0.00 C ATOM 11 O SER A 2 5.754 7.309 -14.045 1.00 0.00 O ATOM 12 CB SER A 2 2.791 8.707 -14.184 1.00 0.00 C ATOM 13 OG SER A 2 2.739 9.986 -13.576 1.00 0.00 O ATOM 0 H SER A 2 2.914 7.040 -16.004 1.00 0.00 H new ATOM 0 HA SER A 2 4.104 9.489 -15.696 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.881 8.537 -14.760 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.829 7.936 -13.414 1.00 0.00 H new ATOM 0 HG SER A 2 1.950 10.041 -12.998 1.00 0.00 H new ATOM 19 N SER A 3 5.812 9.545 -13.791 1.00 0.00 N ATOM 20 CA SER A 3 7.023 9.532 -12.980 1.00 0.00 C ATOM 21 C SER A 3 6.899 10.493 -11.802 1.00 0.00 C ATOM 22 O SER A 3 5.918 11.227 -11.686 1.00 0.00 O ATOM 23 CB SER A 3 8.237 9.906 -13.832 1.00 0.00 C ATOM 24 OG SER A 3 9.432 9.389 -13.273 1.00 0.00 O ATOM 0 H SER A 3 5.427 10.475 -13.958 1.00 0.00 H new ATOM 0 HA SER A 3 7.158 8.523 -12.590 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.108 9.520 -14.843 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.309 10.991 -13.912 1.00 0.00 H new ATOM 0 HG SER A 3 10.193 9.641 -13.837 1.00 0.00 H new ATOM 30 N GLY A 4 7.902 10.483 -10.929 1.00 0.00 N ATOM 31 CA GLY A 4 7.886 11.358 -9.771 1.00 0.00 C ATOM 32 C GLY A 4 8.319 10.649 -8.503 1.00 0.00 C ATOM 33 O GLY A 4 7.515 9.981 -7.853 1.00 0.00 O ATOM 0 H GLY A 4 8.725 9.885 -11.003 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.545 12.207 -9.952 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.881 11.758 -9.635 1.00 0.00 H new ATOM 37 N SER A 5 9.593 10.793 -8.152 1.00 0.00 N ATOM 38 CA SER A 5 10.132 10.156 -6.956 1.00 0.00 C ATOM 39 C SER A 5 9.277 10.481 -5.735 1.00 0.00 C ATOM 40 O SER A 5 8.896 9.590 -4.976 1.00 0.00 O ATOM 41 CB SER A 5 11.574 10.609 -6.719 1.00 0.00 C ATOM 42 OG SER A 5 11.646 12.013 -6.546 1.00 0.00 O ATOM 0 H SER A 5 10.271 11.345 -8.678 1.00 0.00 H new ATOM 0 HA SER A 5 10.118 9.077 -7.110 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.975 10.110 -5.837 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.195 10.311 -7.564 1.00 0.00 H new ATOM 0 HG SER A 5 12.578 12.277 -6.394 1.00 0.00 H new ATOM 48 N SER A 6 8.981 11.764 -5.553 1.00 0.00 N ATOM 49 CA SER A 6 8.174 12.208 -4.422 1.00 0.00 C ATOM 50 C SER A 6 6.754 11.660 -4.519 1.00 0.00 C ATOM 51 O SER A 6 6.245 11.414 -5.611 1.00 0.00 O ATOM 52 CB SER A 6 8.141 13.736 -4.362 1.00 0.00 C ATOM 53 OG SER A 6 9.433 14.266 -4.122 1.00 0.00 O ATOM 0 H SER A 6 9.287 12.514 -6.173 1.00 0.00 H new ATOM 0 HA SER A 6 8.630 11.825 -3.509 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.751 14.131 -5.300 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.461 14.057 -3.573 1.00 0.00 H new ATOM 0 HG SER A 6 9.385 15.244 -4.090 1.00 0.00 H new ATOM 59 N GLY A 7 6.119 11.472 -3.366 1.00 0.00 N ATOM 60 CA GLY A 7 4.763 10.954 -3.342 1.00 0.00 C ATOM 61 C GLY A 7 4.120 11.077 -1.975 1.00 0.00 C ATOM 62 O GLY A 7 4.338 12.059 -1.265 1.00 0.00 O ATOM 0 H GLY A 7 6.519 11.669 -2.449 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.159 11.491 -4.074 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.772 9.906 -3.643 1.00 0.00 H new ATOM 66 N MET A 8 3.323 10.080 -1.605 1.00 0.00 N ATOM 67 CA MET A 8 2.645 10.082 -0.314 1.00 0.00 C ATOM 68 C MET A 8 3.017 8.845 0.497 1.00 0.00 C ATOM 69 O MET A 8 3.324 7.794 -0.065 1.00 0.00 O ATOM 70 CB MET A 8 1.129 10.141 -0.510 1.00 0.00 C ATOM 71 CG MET A 8 0.681 11.248 -1.450 1.00 0.00 C ATOM 72 SD MET A 8 -1.114 11.395 -1.545 1.00 0.00 S ATOM 73 CE MET A 8 -1.540 11.472 0.193 1.00 0.00 C ATOM 0 H MET A 8 3.131 9.260 -2.181 1.00 0.00 H new ATOM 0 HA MET A 8 2.967 10.966 0.236 1.00 0.00 H new ATOM 0 HB2 MET A 8 0.784 9.183 -0.899 1.00 0.00 H new ATOM 0 HB3 MET A 8 0.651 10.283 0.459 1.00 0.00 H new ATOM 0 HG2 MET A 8 1.102 12.196 -1.115 1.00 0.00 H new ATOM 0 HG3 MET A 8 1.079 11.056 -2.446 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.565 11.827 0.301 1.00 0.00 H new ATOM 0 HE2 MET A 8 -1.451 10.479 0.634 1.00 0.00 H new ATOM 0 HE3 MET A 8 -0.863 12.157 0.703 1.00 0.00 H new ATOM 83 N GLU A 9 2.986 8.978 1.819 1.00 0.00 N ATOM 84 CA GLU A 9 3.321 7.870 2.706 1.00 0.00 C ATOM 85 C GLU A 9 2.062 7.266 3.322 1.00 0.00 C ATOM 86 O GLU A 9 1.244 7.974 3.910 1.00 0.00 O ATOM 87 CB GLU A 9 4.268 8.341 3.812 1.00 0.00 C ATOM 88 CG GLU A 9 5.666 8.671 3.317 1.00 0.00 C ATOM 89 CD GLU A 9 6.535 9.290 4.394 1.00 0.00 C ATOM 90 OE1 GLU A 9 6.246 10.434 4.804 1.00 0.00 O ATOM 91 OE2 GLU A 9 7.504 8.632 4.826 1.00 0.00 O ATOM 0 H GLU A 9 2.733 9.841 2.299 1.00 0.00 H new ATOM 0 HA GLU A 9 3.819 7.102 2.114 1.00 0.00 H new ATOM 0 HB2 GLU A 9 3.844 9.224 4.291 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.336 7.566 4.575 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.142 7.761 2.950 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.596 9.357 2.473 1.00 0.00 H new ATOM 98 N LEU A 10 1.914 5.953 3.181 1.00 0.00 N ATOM 99 CA LEU A 10 0.754 5.252 3.723 1.00 0.00 C ATOM 100 C LEU A 10 1.132 4.456 4.968 1.00 0.00 C ATOM 101 O LEU A 10 2.045 3.630 4.937 1.00 0.00 O ATOM 102 CB LEU A 10 0.159 4.319 2.667 1.00 0.00 C ATOM 103 CG LEU A 10 -1.329 3.999 2.816 1.00 0.00 C ATOM 104 CD1 LEU A 10 -2.174 5.198 2.416 1.00 0.00 C ATOM 105 CD2 LEU A 10 -1.699 2.782 1.982 1.00 0.00 C ATOM 0 H LEU A 10 2.582 5.353 2.697 1.00 0.00 H new ATOM 0 HA LEU A 10 0.008 5.996 4.003 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.318 4.766 1.686 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.715 3.382 2.684 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.529 3.771 3.863 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.230 4.953 2.528 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.929 6.046 3.056 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.970 5.457 1.377 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.761 2.569 2.100 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.484 2.981 0.932 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.117 1.922 2.315 1.00 0.00 H new ATOM 117 N LYS A 11 0.424 4.709 6.063 1.00 0.00 N ATOM 118 CA LYS A 11 0.681 4.014 7.318 1.00 0.00 C ATOM 119 C LYS A 11 -0.252 2.817 7.479 1.00 0.00 C ATOM 120 O LYS A 11 -1.429 2.974 7.801 1.00 0.00 O ATOM 121 CB LYS A 11 0.508 4.971 8.500 1.00 0.00 C ATOM 122 CG LYS A 11 1.666 5.939 8.673 1.00 0.00 C ATOM 123 CD LYS A 11 1.642 7.031 7.617 1.00 0.00 C ATOM 124 CE LYS A 11 2.897 7.889 7.674 1.00 0.00 C ATOM 125 NZ LYS A 11 2.904 8.783 8.865 1.00 0.00 N ATOM 0 H LYS A 11 -0.333 5.391 6.107 1.00 0.00 H new ATOM 0 HA LYS A 11 1.709 3.651 7.299 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.412 5.539 8.365 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.392 4.389 9.414 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.620 6.389 9.665 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.608 5.395 8.614 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.552 6.581 6.628 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.763 7.660 7.762 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.776 7.245 7.698 1.00 0.00 H new ATOM 0 HE3 LYS A 11 2.967 8.491 6.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.775 9.351 8.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.079 9.415 8.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.863 8.208 9.731 1.00 0.00 H new ATOM 139 N VAL A 12 0.284 1.621 7.255 1.00 0.00 N ATOM 140 CA VAL A 12 -0.500 0.398 7.377 1.00 0.00 C ATOM 141 C VAL A 12 0.117 -0.550 8.400 1.00 0.00 C ATOM 142 O VAL A 12 1.269 -0.961 8.264 1.00 0.00 O ATOM 143 CB VAL A 12 -0.619 -0.330 6.025 1.00 0.00 C ATOM 144 CG1 VAL A 12 -1.642 -1.453 6.112 1.00 0.00 C ATOM 145 CG2 VAL A 12 -0.985 0.651 4.922 1.00 0.00 C ATOM 0 H VAL A 12 1.257 1.473 6.988 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.495 0.692 7.711 1.00 0.00 H new ATOM 0 HB VAL A 12 0.348 -0.770 5.782 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.713 -1.956 5.148 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.332 -2.169 6.873 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.615 -1.039 6.378 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.065 0.119 3.974 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.940 1.121 5.156 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.213 1.416 4.845 1.00 0.00 H new ATOM 155 N TRP A 13 -0.658 -0.893 9.422 1.00 0.00 N ATOM 156 CA TRP A 13 -0.188 -1.794 10.469 1.00 0.00 C ATOM 157 C TRP A 13 -0.157 -3.235 9.973 1.00 0.00 C ATOM 158 O TRP A 13 -1.179 -3.923 9.970 1.00 0.00 O ATOM 159 CB TRP A 13 -1.083 -1.685 11.704 1.00 0.00 C ATOM 160 CG TRP A 13 -0.976 -0.362 12.400 1.00 0.00 C ATOM 161 CD1 TRP A 13 -1.839 0.691 12.295 1.00 0.00 C ATOM 162 CD2 TRP A 13 0.053 0.050 13.306 1.00 0.00 C ATOM 163 NE1 TRP A 13 -1.409 1.733 13.081 1.00 0.00 N ATOM 164 CE2 TRP A 13 -0.250 1.364 13.713 1.00 0.00 C ATOM 165 CE3 TRP A 13 1.200 -0.565 13.816 1.00 0.00 C ATOM 166 CZ2 TRP A 13 0.553 2.072 14.602 1.00 0.00 C ATOM 167 CZ3 TRP A 13 1.996 0.139 14.699 1.00 0.00 C ATOM 168 CH2 TRP A 13 1.670 1.446 15.086 1.00 0.00 C ATOM 0 H TRP A 13 -1.614 -0.561 9.549 1.00 0.00 H new ATOM 0 HA TRP A 13 0.827 -1.501 10.738 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.119 -1.849 11.409 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -0.822 -2.478 12.404 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -2.729 0.703 11.684 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -1.876 2.634 13.178 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.459 -1.572 13.525 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 0.304 3.080 14.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.885 -0.326 15.098 1.00 0.00 H new ATOM 0 HH2 TRP A 13 2.312 1.969 15.779 1.00 0.00 H new ATOM 179 N VAL A 14 1.020 -3.689 9.555 1.00 0.00 N ATOM 180 CA VAL A 14 1.183 -5.050 9.059 1.00 0.00 C ATOM 181 C VAL A 14 1.679 -5.981 10.160 1.00 0.00 C ATOM 182 O VAL A 14 2.884 -6.138 10.357 1.00 0.00 O ATOM 183 CB VAL A 14 2.168 -5.101 7.875 1.00 0.00 C ATOM 184 CG1 VAL A 14 2.327 -6.529 7.375 1.00 0.00 C ATOM 185 CG2 VAL A 14 1.702 -4.184 6.755 1.00 0.00 C ATOM 0 H VAL A 14 1.875 -3.133 9.550 1.00 0.00 H new ATOM 0 HA VAL A 14 0.202 -5.384 8.721 1.00 0.00 H new ATOM 0 HB VAL A 14 3.141 -4.751 8.219 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.026 -6.546 6.539 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.709 -7.156 8.180 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.360 -6.909 7.047 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.409 -4.232 5.927 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.718 -4.502 6.411 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.644 -3.160 7.124 1.00 0.00 H new ATOM 195 N ASP A 15 0.743 -6.596 10.873 1.00 0.00 N ATOM 196 CA ASP A 15 1.084 -7.513 11.954 1.00 0.00 C ATOM 197 C ASP A 15 1.649 -6.756 13.152 1.00 0.00 C ATOM 198 O ASP A 15 2.483 -7.276 13.891 1.00 0.00 O ATOM 199 CB ASP A 15 2.097 -8.552 11.469 1.00 0.00 C ATOM 200 CG ASP A 15 2.198 -9.742 12.403 1.00 0.00 C ATOM 201 OD1 ASP A 15 1.143 -10.301 12.768 1.00 0.00 O ATOM 202 OD2 ASP A 15 3.333 -10.113 12.770 1.00 0.00 O ATOM 0 H ASP A 15 -0.259 -6.476 10.722 1.00 0.00 H new ATOM 0 HA ASP A 15 0.172 -8.022 12.266 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.812 -8.897 10.475 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.077 -8.084 11.375 1.00 0.00 H new ATOM 207 N GLY A 16 1.188 -5.522 13.336 1.00 0.00 N ATOM 208 CA GLY A 16 1.659 -4.712 14.445 1.00 0.00 C ATOM 209 C GLY A 16 2.931 -3.959 14.113 1.00 0.00 C ATOM 210 O GLY A 16 3.701 -3.603 15.005 1.00 0.00 O ATOM 0 H GLY A 16 0.497 -5.069 12.737 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.883 -4.001 14.727 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.834 -5.352 15.310 1.00 0.00 H new ATOM 214 N VAL A 17 3.155 -3.716 12.826 1.00 0.00 N ATOM 215 CA VAL A 17 4.344 -3.001 12.378 1.00 0.00 C ATOM 216 C VAL A 17 3.982 -1.892 11.397 1.00 0.00 C ATOM 217 O VAL A 17 3.306 -2.133 10.396 1.00 0.00 O ATOM 218 CB VAL A 17 5.354 -3.953 11.709 1.00 0.00 C ATOM 219 CG1 VAL A 17 6.569 -3.183 11.216 1.00 0.00 C ATOM 220 CG2 VAL A 17 5.766 -5.055 12.674 1.00 0.00 C ATOM 0 H VAL A 17 2.528 -4.004 12.075 1.00 0.00 H new ATOM 0 HA VAL A 17 4.802 -2.563 13.265 1.00 0.00 H new ATOM 0 HB VAL A 17 4.874 -4.416 10.847 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.271 -3.872 10.747 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.255 -2.434 10.489 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.054 -2.690 12.059 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.480 -5.718 12.185 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.228 -4.612 13.556 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.886 -5.625 12.972 1.00 0.00 H new ATOM 230 N GLN A 18 4.435 -0.678 11.690 1.00 0.00 N ATOM 231 CA GLN A 18 4.158 0.468 10.833 1.00 0.00 C ATOM 232 C GLN A 18 5.005 0.419 9.566 1.00 0.00 C ATOM 233 O GLN A 18 6.163 0.836 9.566 1.00 0.00 O ATOM 234 CB GLN A 18 4.423 1.772 11.588 1.00 0.00 C ATOM 235 CG GLN A 18 4.048 3.018 10.801 1.00 0.00 C ATOM 236 CD GLN A 18 3.789 4.216 11.693 1.00 0.00 C ATOM 237 OE1 GLN A 18 4.424 5.261 11.549 1.00 0.00 O ATOM 238 NE2 GLN A 18 2.853 4.070 12.623 1.00 0.00 N ATOM 0 H GLN A 18 4.996 -0.462 12.514 1.00 0.00 H new ATOM 0 HA GLN A 18 3.107 0.429 10.546 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.863 1.761 12.523 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.480 1.822 11.850 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.850 3.257 10.102 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.158 2.813 10.207 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.351 3.186 12.707 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.636 4.842 13.254 1.00 0.00 H new ATOM 247 N ARG A 19 4.420 -0.095 8.489 1.00 0.00 N ATOM 248 CA ARG A 19 5.123 -0.200 7.216 1.00 0.00 C ATOM 249 C ARG A 19 4.748 0.954 6.290 1.00 0.00 C ATOM 250 O ARG A 19 3.620 1.029 5.802 1.00 0.00 O ATOM 251 CB ARG A 19 4.800 -1.535 6.540 1.00 0.00 C ATOM 252 CG ARG A 19 5.619 -2.700 7.072 1.00 0.00 C ATOM 253 CD ARG A 19 7.013 -2.724 6.466 1.00 0.00 C ATOM 254 NE ARG A 19 7.968 -1.952 7.257 1.00 0.00 N ATOM 255 CZ ARG A 19 9.284 -2.023 7.094 1.00 0.00 C ATOM 256 NH1 ARG A 19 9.800 -2.827 6.174 1.00 0.00 N ATOM 257 NH2 ARG A 19 10.088 -1.289 7.853 1.00 0.00 N ATOM 0 H ARG A 19 3.462 -0.445 8.472 1.00 0.00 H new ATOM 0 HA ARG A 19 6.193 -0.150 7.416 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.741 -1.754 6.675 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.972 -1.441 5.468 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.694 -2.628 8.157 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.108 -3.637 6.849 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.357 -3.755 6.389 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.975 -2.324 5.453 1.00 0.00 H new ATOM 0 HE ARG A 19 7.604 -1.324 7.974 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.186 -3.393 5.589 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.811 -2.879 6.051 1.00 0.00 H new ATOM 0 HH21 ARG A 19 9.695 -0.670 8.562 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.099 -1.344 7.727 1.00 0.00 H new ATOM 271 N ILE A 20 5.700 1.850 6.055 1.00 0.00 N ATOM 272 CA ILE A 20 5.470 2.999 5.188 1.00 0.00 C ATOM 273 C ILE A 20 5.880 2.695 3.751 1.00 0.00 C ATOM 274 O ILE A 20 6.846 1.971 3.510 1.00 0.00 O ATOM 275 CB ILE A 20 6.241 4.238 5.679 1.00 0.00 C ATOM 276 CG1 ILE A 20 5.791 4.620 7.090 1.00 0.00 C ATOM 277 CG2 ILE A 20 6.041 5.401 4.719 1.00 0.00 C ATOM 278 CD1 ILE A 20 6.426 5.894 7.603 1.00 0.00 C ATOM 0 H ILE A 20 6.638 1.803 6.453 1.00 0.00 H new ATOM 0 HA ILE A 20 4.401 3.210 5.221 1.00 0.00 H new ATOM 0 HB ILE A 20 7.304 3.998 5.710 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.707 4.735 7.098 1.00 0.00 H new ATOM 0 HG13 ILE A 20 6.030 3.804 7.772 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.592 6.269 5.080 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.407 5.124 3.730 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.980 5.644 4.658 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.061 6.103 8.609 1.00 0.00 H new ATOM 0 HD12 ILE A 20 7.509 5.776 7.627 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.166 6.722 6.943 1.00 0.00 H new ATOM 290 N VAL A 21 5.140 3.254 2.799 1.00 0.00 N ATOM 291 CA VAL A 21 5.428 3.046 1.385 1.00 0.00 C ATOM 292 C VAL A 21 5.433 4.367 0.625 1.00 0.00 C ATOM 293 O VAL A 21 4.379 4.890 0.262 1.00 0.00 O ATOM 294 CB VAL A 21 4.402 2.097 0.737 1.00 0.00 C ATOM 295 CG1 VAL A 21 4.634 2.003 -0.763 1.00 0.00 C ATOM 296 CG2 VAL A 21 4.467 0.721 1.383 1.00 0.00 C ATOM 0 H VAL A 21 4.336 3.855 2.981 1.00 0.00 H new ATOM 0 HA VAL A 21 6.418 2.593 1.327 1.00 0.00 H new ATOM 0 HB VAL A 21 3.404 2.503 0.901 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.900 1.328 -1.203 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.532 2.992 -1.210 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.637 1.621 -0.953 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.736 0.064 0.913 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.466 0.305 1.253 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.246 0.808 2.447 1.00 0.00 H new ATOM 306 N CYS A 22 6.626 4.901 0.387 1.00 0.00 N ATOM 307 CA CYS A 22 6.769 6.163 -0.331 1.00 0.00 C ATOM 308 C CYS A 22 6.589 5.958 -1.832 1.00 0.00 C ATOM 309 O CYS A 22 6.942 4.911 -2.373 1.00 0.00 O ATOM 310 CB CYS A 22 8.139 6.782 -0.049 1.00 0.00 C ATOM 311 SG CYS A 22 9.527 5.843 -0.729 1.00 0.00 S ATOM 0 H CYS A 22 7.508 4.480 0.680 1.00 0.00 H new ATOM 0 HA CYS A 22 5.992 6.842 0.020 1.00 0.00 H new ATOM 0 HB2 CYS A 22 8.161 7.791 -0.460 1.00 0.00 H new ATOM 0 HB3 CYS A 22 8.270 6.873 1.029 1.00 0.00 H new ATOM 0 HG CYS A 22 9.100 5.063 -1.677 1.00 0.00 H new ATOM 317 N GLY A 23 6.035 6.966 -2.499 1.00 0.00 N ATOM 318 CA GLY A 23 5.816 6.876 -3.931 1.00 0.00 C ATOM 319 C GLY A 23 4.353 6.696 -4.284 1.00 0.00 C ATOM 320 O GLY A 23 3.969 6.805 -5.448 1.00 0.00 O ATOM 0 H GLY A 23 5.734 7.843 -2.074 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.194 7.779 -4.411 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.389 6.039 -4.331 1.00 0.00 H new ATOM 324 N VAL A 24 3.533 6.417 -3.275 1.00 0.00 N ATOM 325 CA VAL A 24 2.104 6.220 -3.484 1.00 0.00 C ATOM 326 C VAL A 24 1.422 7.525 -3.881 1.00 0.00 C ATOM 327 O VAL A 24 1.588 8.551 -3.221 1.00 0.00 O ATOM 328 CB VAL A 24 1.423 5.661 -2.221 1.00 0.00 C ATOM 329 CG1 VAL A 24 -0.061 5.440 -2.467 1.00 0.00 C ATOM 330 CG2 VAL A 24 2.097 4.370 -1.780 1.00 0.00 C ATOM 0 H VAL A 24 3.834 6.322 -2.305 1.00 0.00 H new ATOM 0 HA VAL A 24 1.999 5.497 -4.293 1.00 0.00 H new ATOM 0 HB VAL A 24 1.528 6.392 -1.419 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.525 5.045 -1.563 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.531 6.387 -2.732 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.193 4.729 -3.283 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.603 3.989 -0.886 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.025 3.631 -2.578 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.147 4.564 -1.560 1.00 0.00 H new ATOM 340 N THR A 25 0.651 7.478 -4.963 1.00 0.00 N ATOM 341 CA THR A 25 -0.057 8.656 -5.449 1.00 0.00 C ATOM 342 C THR A 25 -1.555 8.396 -5.546 1.00 0.00 C ATOM 343 O THR A 25 -1.989 7.250 -5.662 1.00 0.00 O ATOM 344 CB THR A 25 0.467 9.097 -6.828 1.00 0.00 C ATOM 345 OG1 THR A 25 0.832 7.950 -7.604 1.00 0.00 O ATOM 346 CG2 THR A 25 1.668 10.019 -6.682 1.00 0.00 C ATOM 0 H THR A 25 0.501 6.636 -5.520 1.00 0.00 H new ATOM 0 HA THR A 25 0.124 9.453 -4.728 1.00 0.00 H new ATOM 0 HB THR A 25 -0.329 9.641 -7.336 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.163 8.239 -8.480 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.020 10.317 -7.670 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.380 10.905 -6.117 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.466 9.496 -6.155 1.00 0.00 H new ATOM 354 N GLU A 26 -2.342 9.467 -5.498 1.00 0.00 N ATOM 355 CA GLU A 26 -3.793 9.352 -5.581 1.00 0.00 C ATOM 356 C GLU A 26 -4.204 8.491 -6.772 1.00 0.00 C ATOM 357 O GLU A 26 -5.137 7.693 -6.684 1.00 0.00 O ATOM 358 CB GLU A 26 -4.431 10.738 -5.696 1.00 0.00 C ATOM 359 CG GLU A 26 -4.498 11.261 -7.121 1.00 0.00 C ATOM 360 CD GLU A 26 -4.962 12.703 -7.192 1.00 0.00 C ATOM 361 OE1 GLU A 26 -5.977 13.033 -6.543 1.00 0.00 O ATOM 362 OE2 GLU A 26 -4.309 13.502 -7.896 1.00 0.00 O ATOM 0 H GLU A 26 -1.999 10.423 -5.402 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.146 8.872 -4.668 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.439 10.700 -5.284 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.864 11.441 -5.086 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.514 11.177 -7.582 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.176 10.636 -7.702 1.00 0.00 H new ATOM 369 N VAL A 27 -3.500 8.660 -7.888 1.00 0.00 N ATOM 370 CA VAL A 27 -3.790 7.900 -9.097 1.00 0.00 C ATOM 371 C VAL A 27 -3.770 6.400 -8.821 1.00 0.00 C ATOM 372 O VAL A 27 -4.434 5.622 -9.507 1.00 0.00 O ATOM 373 CB VAL A 27 -2.781 8.219 -10.216 1.00 0.00 C ATOM 374 CG1 VAL A 27 -2.920 9.666 -10.664 1.00 0.00 C ATOM 375 CG2 VAL A 27 -1.362 7.929 -9.752 1.00 0.00 C ATOM 0 H VAL A 27 -2.725 9.317 -7.979 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.788 8.193 -9.424 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.997 7.578 -11.070 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.199 9.873 -11.455 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.929 9.835 -11.039 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.731 10.328 -9.819 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.662 8.160 -10.555 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.131 8.543 -8.882 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.274 6.876 -9.486 1.00 0.00 H new ATOM 385 N THR A 28 -3.003 6.000 -7.812 1.00 0.00 N ATOM 386 CA THR A 28 -2.894 4.594 -7.445 1.00 0.00 C ATOM 387 C THR A 28 -4.158 4.109 -6.745 1.00 0.00 C ATOM 388 O THR A 28 -4.892 4.899 -6.148 1.00 0.00 O ATOM 389 CB THR A 28 -1.684 4.345 -6.526 1.00 0.00 C ATOM 390 OG1 THR A 28 -0.467 4.586 -7.241 1.00 0.00 O ATOM 391 CG2 THR A 28 -1.692 2.919 -5.995 1.00 0.00 C ATOM 0 H THR A 28 -2.448 6.631 -7.234 1.00 0.00 H new ATOM 0 HA THR A 28 -2.758 4.036 -8.371 1.00 0.00 H new ATOM 0 HB THR A 28 -1.750 5.031 -5.682 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.297 4.427 -6.649 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.828 2.767 -5.348 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.606 2.748 -5.426 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.648 2.220 -6.830 1.00 0.00 H new ATOM 399 N THR A 29 -4.409 2.806 -6.819 1.00 0.00 N ATOM 400 CA THR A 29 -5.585 2.216 -6.193 1.00 0.00 C ATOM 401 C THR A 29 -5.192 1.297 -5.042 1.00 0.00 C ATOM 402 O THR A 29 -4.010 1.024 -4.829 1.00 0.00 O ATOM 403 CB THR A 29 -6.422 1.418 -7.209 1.00 0.00 C ATOM 404 OG1 THR A 29 -5.804 0.153 -7.468 1.00 0.00 O ATOM 405 CG2 THR A 29 -6.573 2.190 -8.511 1.00 0.00 C ATOM 0 H THR A 29 -3.812 2.138 -7.307 1.00 0.00 H new ATOM 0 HA THR A 29 -6.185 3.041 -5.808 1.00 0.00 H new ATOM 0 HB THR A 29 -7.412 1.257 -6.783 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.394 -0.568 -7.164 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.168 1.606 -9.213 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.071 3.140 -8.315 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.588 2.378 -8.939 1.00 0.00 H new ATOM 413 N CYS A 30 -6.189 0.822 -4.303 1.00 0.00 N ATOM 414 CA CYS A 30 -5.947 -0.067 -3.173 1.00 0.00 C ATOM 415 C CYS A 30 -5.115 -1.273 -3.598 1.00 0.00 C ATOM 416 O CYS A 30 -4.061 -1.544 -3.025 1.00 0.00 O ATOM 417 CB CYS A 30 -7.274 -0.534 -2.572 1.00 0.00 C ATOM 418 SG CYS A 30 -8.051 0.673 -1.472 1.00 0.00 S ATOM 0 H CYS A 30 -7.172 1.038 -4.466 1.00 0.00 H new ATOM 0 HA CYS A 30 -5.390 0.488 -2.418 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.965 -0.769 -3.382 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -7.105 -1.458 -2.019 1.00 0.00 H new ATOM 0 HG CYS A 30 -9.335 0.680 -1.673 1.00 0.00 H new ATOM 424 N GLN A 31 -5.598 -1.993 -4.606 1.00 0.00 N ATOM 425 CA GLN A 31 -4.900 -3.171 -5.105 1.00 0.00 C ATOM 426 C GLN A 31 -3.412 -2.887 -5.284 1.00 0.00 C ATOM 427 O GLN A 31 -2.567 -3.563 -4.698 1.00 0.00 O ATOM 428 CB GLN A 31 -5.508 -3.625 -6.434 1.00 0.00 C ATOM 429 CG GLN A 31 -4.679 -4.676 -7.154 1.00 0.00 C ATOM 430 CD GLN A 31 -4.919 -6.075 -6.622 1.00 0.00 C ATOM 431 OE1 GLN A 31 -6.058 -6.538 -6.553 1.00 0.00 O ATOM 432 NE2 GLN A 31 -3.845 -6.756 -6.241 1.00 0.00 N ATOM 0 H GLN A 31 -6.469 -1.781 -5.092 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.013 -3.968 -4.370 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.506 -4.024 -6.250 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.626 -2.759 -7.085 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.913 -4.651 -8.218 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.622 -4.430 -7.054 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -2.920 -6.333 -6.316 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -3.945 -7.702 -5.874 1.00 0.00 H new ATOM 441 N GLU A 32 -3.100 -1.883 -6.098 1.00 0.00 N ATOM 442 CA GLU A 32 -1.713 -1.512 -6.354 1.00 0.00 C ATOM 443 C GLU A 32 -0.944 -1.345 -5.047 1.00 0.00 C ATOM 444 O GLU A 32 0.134 -1.913 -4.870 1.00 0.00 O ATOM 445 CB GLU A 32 -1.651 -0.215 -7.164 1.00 0.00 C ATOM 446 CG GLU A 32 -1.697 -0.433 -8.667 1.00 0.00 C ATOM 447 CD GLU A 32 -0.320 -0.634 -9.270 1.00 0.00 C ATOM 448 OE1 GLU A 32 0.512 -1.314 -8.634 1.00 0.00 O ATOM 449 OE2 GLU A 32 -0.075 -0.111 -10.377 1.00 0.00 O ATOM 0 H GLU A 32 -3.788 -1.313 -6.591 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.249 -2.314 -6.928 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.483 0.425 -6.873 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.735 0.318 -6.911 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.316 -1.303 -8.885 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.175 0.425 -9.140 1.00 0.00 H new ATOM 456 N VAL A 33 -1.506 -0.561 -4.132 1.00 0.00 N ATOM 457 CA VAL A 33 -0.875 -0.319 -2.840 1.00 0.00 C ATOM 458 C VAL A 33 -0.543 -1.630 -2.137 1.00 0.00 C ATOM 459 O VAL A 33 0.572 -1.822 -1.652 1.00 0.00 O ATOM 460 CB VAL A 33 -1.778 0.529 -1.924 1.00 0.00 C ATOM 461 CG1 VAL A 33 -0.993 1.041 -0.726 1.00 0.00 C ATOM 462 CG2 VAL A 33 -2.392 1.683 -2.702 1.00 0.00 C ATOM 0 H VAL A 33 -2.397 -0.083 -4.262 1.00 0.00 H new ATOM 0 HA VAL A 33 0.047 0.229 -3.035 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.587 -0.102 -1.555 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.647 1.638 -0.090 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.606 0.196 -0.157 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.162 1.657 -1.071 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.027 2.271 -2.040 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.599 2.315 -3.101 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.991 1.290 -3.524 1.00 0.00 H new ATOM 472 N VAL A 34 -1.519 -2.531 -2.085 1.00 0.00 N ATOM 473 CA VAL A 34 -1.330 -3.826 -1.442 1.00 0.00 C ATOM 474 C VAL A 34 -0.061 -4.507 -1.939 1.00 0.00 C ATOM 475 O VAL A 34 0.799 -4.895 -1.148 1.00 0.00 O ATOM 476 CB VAL A 34 -2.531 -4.757 -1.692 1.00 0.00 C ATOM 477 CG1 VAL A 34 -2.244 -6.154 -1.164 1.00 0.00 C ATOM 478 CG2 VAL A 34 -3.790 -4.186 -1.056 1.00 0.00 C ATOM 0 H VAL A 34 -2.448 -2.388 -2.480 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.242 -3.638 -0.372 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.695 -4.828 -2.767 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.104 -6.797 -1.350 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.370 -6.562 -1.671 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.052 -6.106 -0.092 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.628 -4.857 -1.243 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.640 -4.083 0.019 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.005 -3.208 -1.488 1.00 0.00 H new ATOM 488 N ILE A 35 0.052 -4.648 -3.256 1.00 0.00 N ATOM 489 CA ILE A 35 1.218 -5.281 -3.859 1.00 0.00 C ATOM 490 C ILE A 35 2.506 -4.601 -3.410 1.00 0.00 C ATOM 491 O ILE A 35 3.521 -5.259 -3.183 1.00 0.00 O ATOM 492 CB ILE A 35 1.143 -5.248 -5.397 1.00 0.00 C ATOM 493 CG1 ILE A 35 -0.088 -6.014 -5.886 1.00 0.00 C ATOM 494 CG2 ILE A 35 2.411 -5.833 -6.002 1.00 0.00 C ATOM 495 CD1 ILE A 35 -0.647 -5.490 -7.190 1.00 0.00 C ATOM 0 H ILE A 35 -0.650 -4.332 -3.925 1.00 0.00 H new ATOM 0 HA ILE A 35 1.222 -6.319 -3.525 1.00 0.00 H new ATOM 0 HB ILE A 35 1.054 -4.210 -5.719 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.173 -7.065 -6.008 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.864 -5.965 -5.122 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.343 -5.803 -7.089 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.272 -5.250 -5.676 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.527 -6.866 -5.674 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.518 -6.080 -7.476 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.940 -4.447 -7.067 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.113 -5.564 -7.968 1.00 0.00 H new ATOM 507 N ALA A 36 2.458 -3.279 -3.281 1.00 0.00 N ATOM 508 CA ALA A 36 3.620 -2.510 -2.854 1.00 0.00 C ATOM 509 C ALA A 36 4.069 -2.922 -1.457 1.00 0.00 C ATOM 510 O ALA A 36 5.257 -2.877 -1.136 1.00 0.00 O ATOM 511 CB ALA A 36 3.311 -1.021 -2.894 1.00 0.00 C ATOM 0 H ALA A 36 1.626 -2.718 -3.466 1.00 0.00 H new ATOM 0 HA ALA A 36 4.437 -2.719 -3.545 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.188 -0.459 -2.573 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.047 -0.731 -3.911 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.477 -0.805 -2.227 1.00 0.00 H new ATOM 517 N LEU A 37 3.111 -3.324 -0.628 1.00 0.00 N ATOM 518 CA LEU A 37 3.408 -3.745 0.737 1.00 0.00 C ATOM 519 C LEU A 37 4.159 -5.072 0.747 1.00 0.00 C ATOM 520 O LEU A 37 5.221 -5.191 1.358 1.00 0.00 O ATOM 521 CB LEU A 37 2.115 -3.871 1.545 1.00 0.00 C ATOM 522 CG LEU A 37 1.639 -2.603 2.253 1.00 0.00 C ATOM 523 CD1 LEU A 37 2.542 -2.279 3.433 1.00 0.00 C ATOM 524 CD2 LEU A 37 1.592 -1.434 1.279 1.00 0.00 C ATOM 0 H LEU A 37 2.123 -3.367 -0.877 1.00 0.00 H new ATOM 0 HA LEU A 37 4.043 -2.987 1.195 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.323 -4.208 0.876 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.253 -4.651 2.294 1.00 0.00 H new ATOM 0 HG LEU A 37 0.631 -2.777 2.630 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.187 -1.373 3.925 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.525 -3.107 4.142 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.561 -2.125 3.079 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.251 -0.540 1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.588 -1.259 0.872 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.903 -1.665 0.466 1.00 0.00 H new ATOM 536 N ALA A 38 3.602 -6.067 0.064 1.00 0.00 N ATOM 537 CA ALA A 38 4.222 -7.384 -0.009 1.00 0.00 C ATOM 538 C ALA A 38 5.680 -7.282 -0.442 1.00 0.00 C ATOM 539 O ALA A 38 6.535 -8.017 0.049 1.00 0.00 O ATOM 540 CB ALA A 38 3.447 -8.279 -0.965 1.00 0.00 C ATOM 0 H ALA A 38 2.723 -5.986 -0.446 1.00 0.00 H new ATOM 0 HA ALA A 38 4.197 -7.826 0.987 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.921 -9.260 -1.010 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.422 -8.387 -0.611 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.443 -7.832 -1.959 1.00 0.00 H new ATOM 546 N GLN A 39 5.955 -6.366 -1.365 1.00 0.00 N ATOM 547 CA GLN A 39 7.311 -6.169 -1.865 1.00 0.00 C ATOM 548 C GLN A 39 8.244 -5.719 -0.745 1.00 0.00 C ATOM 549 O GLN A 39 9.454 -5.931 -0.811 1.00 0.00 O ATOM 550 CB GLN A 39 7.316 -5.137 -2.994 1.00 0.00 C ATOM 551 CG GLN A 39 7.021 -5.732 -4.362 1.00 0.00 C ATOM 552 CD GLN A 39 8.223 -6.430 -4.967 1.00 0.00 C ATOM 553 OE1 GLN A 39 8.728 -7.409 -4.417 1.00 0.00 O ATOM 554 NE2 GLN A 39 8.688 -5.929 -6.105 1.00 0.00 N ATOM 0 H GLN A 39 5.258 -5.749 -1.782 1.00 0.00 H new ATOM 0 HA GLN A 39 7.671 -7.122 -2.252 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.577 -4.367 -2.775 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.289 -4.646 -3.022 1.00 0.00 H new ATOM 0 HG2 GLN A 39 6.199 -6.442 -4.275 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.689 -4.941 -5.034 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.238 -5.116 -6.526 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.495 -6.357 -6.559 1.00 0.00 H new ATOM 563 N ALA A 40 7.672 -5.097 0.281 1.00 0.00 N ATOM 564 CA ALA A 40 8.453 -4.619 1.415 1.00 0.00 C ATOM 565 C ALA A 40 8.616 -5.710 2.468 1.00 0.00 C ATOM 566 O ALA A 40 9.727 -6.169 2.733 1.00 0.00 O ATOM 567 CB ALA A 40 7.799 -3.388 2.024 1.00 0.00 C ATOM 0 H ALA A 40 6.671 -4.913 0.350 1.00 0.00 H new ATOM 0 HA ALA A 40 9.445 -4.349 1.054 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.393 -3.041 2.870 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.740 -2.599 1.274 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.795 -3.640 2.365 1.00 0.00 H new ATOM 573 N ILE A 41 7.502 -6.120 3.066 1.00 0.00 N ATOM 574 CA ILE A 41 7.522 -7.157 4.090 1.00 0.00 C ATOM 575 C ILE A 41 7.966 -8.494 3.508 1.00 0.00 C ATOM 576 O ILE A 41 8.322 -9.415 4.243 1.00 0.00 O ATOM 577 CB ILE A 41 6.139 -7.328 4.744 1.00 0.00 C ATOM 578 CG1 ILE A 41 5.073 -7.586 3.677 1.00 0.00 C ATOM 579 CG2 ILE A 41 5.785 -6.098 5.566 1.00 0.00 C ATOM 580 CD1 ILE A 41 3.680 -7.755 4.241 1.00 0.00 C ATOM 0 H ILE A 41 6.574 -5.750 2.859 1.00 0.00 H new ATOM 0 HA ILE A 41 8.237 -6.839 4.849 1.00 0.00 H new ATOM 0 HB ILE A 41 6.174 -8.189 5.411 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.071 -6.757 2.969 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.341 -8.482 3.117 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.804 -6.235 6.022 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.532 -5.955 6.347 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.765 -5.221 4.919 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.977 -7.935 3.427 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.665 -8.602 4.927 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.392 -6.850 4.776 1.00 0.00 H new ATOM 592 N GLY A 42 7.945 -8.594 2.183 1.00 0.00 N ATOM 593 CA GLY A 42 8.350 -9.823 1.524 1.00 0.00 C ATOM 594 C GLY A 42 7.319 -10.924 1.668 1.00 0.00 C ATOM 595 O GLY A 42 7.657 -12.061 2.000 1.00 0.00 O ATOM 0 H GLY A 42 7.655 -7.846 1.553 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.521 -9.625 0.466 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.298 -10.160 1.942 1.00 0.00 H new ATOM 599 N ARG A 43 6.057 -10.588 1.420 1.00 0.00 N ATOM 600 CA ARG A 43 4.973 -11.557 1.527 1.00 0.00 C ATOM 601 C ARG A 43 4.395 -11.880 0.152 1.00 0.00 C ATOM 602 O ARG A 43 4.859 -11.365 -0.865 1.00 0.00 O ATOM 603 CB ARG A 43 3.871 -11.022 2.443 1.00 0.00 C ATOM 604 CG ARG A 43 4.061 -11.392 3.905 1.00 0.00 C ATOM 605 CD ARG A 43 5.336 -10.787 4.472 1.00 0.00 C ATOM 606 NE ARG A 43 5.858 -11.562 5.593 1.00 0.00 N ATOM 607 CZ ARG A 43 5.318 -11.554 6.807 1.00 0.00 C ATOM 608 NH1 ARG A 43 4.245 -10.816 7.054 1.00 0.00 N ATOM 609 NH2 ARG A 43 5.851 -12.287 7.776 1.00 0.00 N ATOM 0 H ARG A 43 5.760 -9.652 1.144 1.00 0.00 H new ATOM 0 HA ARG A 43 5.379 -12.473 1.956 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.831 -9.936 2.354 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.909 -11.405 2.102 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.204 -11.046 4.483 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.096 -12.477 4.005 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.091 -10.731 3.687 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.139 -9.766 4.798 1.00 0.00 H new ATOM 0 HE ARG A 43 6.683 -12.142 5.436 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.832 -10.252 6.311 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.833 -10.812 7.987 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.676 -12.857 7.589 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.436 -12.280 8.708 1.00 0.00 H new ATOM 623 N THR A 44 3.379 -12.737 0.130 1.00 0.00 N ATOM 624 CA THR A 44 2.738 -13.130 -1.119 1.00 0.00 C ATOM 625 C THR A 44 2.232 -11.913 -1.884 1.00 0.00 C ATOM 626 O THR A 44 2.779 -11.549 -2.924 1.00 0.00 O ATOM 627 CB THR A 44 1.561 -14.091 -0.868 1.00 0.00 C ATOM 628 OG1 THR A 44 0.513 -13.410 -0.168 1.00 0.00 O ATOM 629 CG2 THR A 44 2.011 -15.301 -0.064 1.00 0.00 C ATOM 0 H THR A 44 2.982 -13.172 0.963 1.00 0.00 H new ATOM 0 HA THR A 44 3.494 -13.641 -1.715 1.00 0.00 H new ATOM 0 HB THR A 44 1.190 -14.434 -1.834 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.232 -14.027 -0.014 1.00 0.00 H new ATOM 0 HG21 THR A 44 1.162 -15.965 0.100 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.788 -15.834 -0.613 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.406 -14.973 0.897 1.00 0.00 H new ATOM 637 N GLY A 45 1.182 -11.285 -1.362 1.00 0.00 N ATOM 638 CA GLY A 45 0.620 -10.115 -2.009 1.00 0.00 C ATOM 639 C GLY A 45 -0.890 -10.052 -1.884 1.00 0.00 C ATOM 640 O GLY A 45 -1.482 -8.976 -1.974 1.00 0.00 O ATOM 0 H GLY A 45 0.711 -11.567 -0.502 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.055 -9.217 -1.571 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.894 -10.120 -3.064 1.00 0.00 H new ATOM 644 N ARG A 46 -1.514 -11.207 -1.677 1.00 0.00 N ATOM 645 CA ARG A 46 -2.963 -11.278 -1.543 1.00 0.00 C ATOM 646 C ARG A 46 -3.405 -10.812 -0.158 1.00 0.00 C ATOM 647 O ARG A 46 -3.656 -11.626 0.731 1.00 0.00 O ATOM 648 CB ARG A 46 -3.450 -12.708 -1.790 1.00 0.00 C ATOM 649 CG ARG A 46 -4.957 -12.818 -1.955 1.00 0.00 C ATOM 650 CD ARG A 46 -5.401 -12.369 -3.338 1.00 0.00 C ATOM 651 NE ARG A 46 -5.217 -13.417 -4.339 1.00 0.00 N ATOM 652 CZ ARG A 46 -5.809 -13.410 -5.528 1.00 0.00 C ATOM 653 NH1 ARG A 46 -6.617 -12.414 -5.863 1.00 0.00 N ATOM 654 NH2 ARG A 46 -5.592 -14.400 -6.385 1.00 0.00 N ATOM 0 H ARG A 46 -1.038 -12.106 -1.599 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.404 -10.616 -2.289 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.966 -13.098 -2.685 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.137 -13.338 -0.958 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.268 -13.850 -1.789 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.452 -12.210 -1.198 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.451 -12.079 -3.305 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.835 -11.485 -3.631 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.600 -14.197 -4.112 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.785 -11.651 -5.207 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.071 -12.411 -6.777 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.970 -15.167 -6.131 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.047 -14.393 -7.298 1.00 0.00 H new ATOM 668 N TYR A 47 -3.496 -9.499 0.016 1.00 0.00 N ATOM 669 CA TYR A 47 -3.903 -8.924 1.293 1.00 0.00 C ATOM 670 C TYR A 47 -4.953 -7.836 1.090 1.00 0.00 C ATOM 671 O TYR A 47 -4.999 -7.187 0.044 1.00 0.00 O ATOM 672 CB TYR A 47 -2.691 -8.348 2.027 1.00 0.00 C ATOM 673 CG TYR A 47 -1.658 -9.387 2.399 1.00 0.00 C ATOM 674 CD1 TYR A 47 -1.744 -10.082 3.600 1.00 0.00 C ATOM 675 CD2 TYR A 47 -0.596 -9.675 1.551 1.00 0.00 C ATOM 676 CE1 TYR A 47 -0.802 -11.032 3.944 1.00 0.00 C ATOM 677 CE2 TYR A 47 0.349 -10.624 1.887 1.00 0.00 C ATOM 678 CZ TYR A 47 0.242 -11.300 3.084 1.00 0.00 C ATOM 679 OH TYR A 47 1.183 -12.245 3.423 1.00 0.00 O ATOM 0 H TYR A 47 -3.294 -8.812 -0.711 1.00 0.00 H new ATOM 0 HA TYR A 47 -4.341 -9.719 1.897 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.222 -7.591 1.398 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.031 -7.845 2.932 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.561 -9.876 4.275 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.508 -9.147 0.613 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.883 -11.562 4.882 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.168 -10.836 1.216 1.00 0.00 H new ATOM 0 HH TYR A 47 1.385 -12.801 2.641 1.00 0.00 H new ATOM 689 N THR A 48 -5.797 -7.641 2.099 1.00 0.00 N ATOM 690 CA THR A 48 -6.847 -6.633 2.033 1.00 0.00 C ATOM 691 C THR A 48 -6.533 -5.451 2.943 1.00 0.00 C ATOM 692 O THR A 48 -5.799 -5.586 3.923 1.00 0.00 O ATOM 693 CB THR A 48 -8.215 -7.220 2.428 1.00 0.00 C ATOM 694 OG1 THR A 48 -8.704 -8.070 1.384 1.00 0.00 O ATOM 695 CG2 THR A 48 -9.222 -6.112 2.700 1.00 0.00 C ATOM 0 H THR A 48 -5.773 -8.169 2.972 1.00 0.00 H new ATOM 0 HA THR A 48 -6.891 -6.291 0.999 1.00 0.00 H new ATOM 0 HB THR A 48 -8.085 -7.803 3.340 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.573 -8.440 1.644 1.00 0.00 H new ATOM 0 HG21 THR A 48 -10.180 -6.551 2.977 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.861 -5.485 3.515 1.00 0.00 H new ATOM 0 HG23 THR A 48 -9.347 -5.505 1.803 1.00 0.00 H new ATOM 703 N LEU A 49 -7.091 -4.291 2.613 1.00 0.00 N ATOM 704 CA LEU A 49 -6.871 -3.084 3.402 1.00 0.00 C ATOM 705 C LEU A 49 -8.124 -2.711 4.187 1.00 0.00 C ATOM 706 O LEU A 49 -9.217 -2.622 3.626 1.00 0.00 O ATOM 707 CB LEU A 49 -6.461 -1.925 2.492 1.00 0.00 C ATOM 708 CG LEU A 49 -5.049 -1.995 1.910 1.00 0.00 C ATOM 709 CD1 LEU A 49 -4.993 -1.299 0.559 1.00 0.00 C ATOM 710 CD2 LEU A 49 -4.044 -1.379 2.872 1.00 0.00 C ATOM 0 H LEU A 49 -7.699 -4.161 1.804 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.067 -3.284 4.111 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.170 -1.869 1.666 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.554 -0.997 3.055 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.788 -3.043 1.766 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.980 -1.359 0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.684 -1.786 -0.130 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.275 -0.253 0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.045 -1.438 2.441 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.302 -0.335 3.049 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.064 -1.922 3.817 1.00 0.00 H new ATOM 722 N ILE A 50 -7.958 -2.491 5.487 1.00 0.00 N ATOM 723 CA ILE A 50 -9.075 -2.123 6.348 1.00 0.00 C ATOM 724 C ILE A 50 -8.807 -0.802 7.062 1.00 0.00 C ATOM 725 O ILE A 50 -7.850 -0.681 7.826 1.00 0.00 O ATOM 726 CB ILE A 50 -9.357 -3.213 7.399 1.00 0.00 C ATOM 727 CG1 ILE A 50 -9.711 -4.534 6.713 1.00 0.00 C ATOM 728 CG2 ILE A 50 -10.481 -2.775 8.327 1.00 0.00 C ATOM 729 CD1 ILE A 50 -9.656 -5.729 7.639 1.00 0.00 C ATOM 0 H ILE A 50 -7.061 -2.561 5.967 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.948 -2.015 5.704 1.00 0.00 H new ATOM 0 HB ILE A 50 -8.457 -3.364 7.995 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.713 -4.458 6.290 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -9.026 -4.697 5.881 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -10.669 -3.555 9.064 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -10.194 -1.855 8.837 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -11.386 -2.600 7.745 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.918 -6.631 7.085 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -8.648 -5.831 8.042 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.362 -5.588 8.458 1.00 0.00 H new ATOM 741 N GLU A 51 -9.661 0.185 6.807 1.00 0.00 N ATOM 742 CA GLU A 51 -9.516 1.497 7.426 1.00 0.00 C ATOM 743 C GLU A 51 -10.236 1.546 8.771 1.00 0.00 C ATOM 744 O GLU A 51 -11.462 1.643 8.829 1.00 0.00 O ATOM 745 CB GLU A 51 -10.066 2.585 6.501 1.00 0.00 C ATOM 746 CG GLU A 51 -9.029 3.154 5.548 1.00 0.00 C ATOM 747 CD GLU A 51 -9.538 4.362 4.785 1.00 0.00 C ATOM 748 OE1 GLU A 51 -10.486 4.202 3.988 1.00 0.00 O ATOM 749 OE2 GLU A 51 -8.988 5.465 4.984 1.00 0.00 O ATOM 0 H GLU A 51 -10.459 0.101 6.177 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.454 1.676 7.595 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -10.893 2.174 5.922 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -10.473 3.394 7.107 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.138 3.433 6.111 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.729 2.382 4.840 1.00 0.00 H new ATOM 756 N LYS A 52 -9.465 1.479 9.851 1.00 0.00 N ATOM 757 CA LYS A 52 -10.026 1.516 11.196 1.00 0.00 C ATOM 758 C LYS A 52 -9.983 2.931 11.765 1.00 0.00 C ATOM 759 O LYS A 52 -8.951 3.600 11.710 1.00 0.00 O ATOM 760 CB LYS A 52 -9.262 0.561 12.116 1.00 0.00 C ATOM 761 CG LYS A 52 -9.705 0.630 13.568 1.00 0.00 C ATOM 762 CD LYS A 52 -10.829 -0.352 13.854 1.00 0.00 C ATOM 763 CE LYS A 52 -10.802 -0.822 15.301 1.00 0.00 C ATOM 764 NZ LYS A 52 -12.070 -1.500 15.687 1.00 0.00 N ATOM 0 H LYS A 52 -8.449 1.399 9.821 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.067 1.199 11.137 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.390 -0.459 11.754 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.198 0.788 12.058 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.858 0.414 14.219 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.036 1.642 13.801 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -11.789 0.119 13.641 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.741 -1.211 13.189 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.966 -1.506 15.445 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.632 0.032 15.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.046 -1.730 16.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -12.874 -0.869 15.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.177 -2.376 15.136 1.00 0.00 H new ATOM 778 N TRP A 53 -11.107 3.378 12.311 1.00 0.00 N ATOM 779 CA TRP A 53 -11.197 4.713 12.891 1.00 0.00 C ATOM 780 C TRP A 53 -12.333 4.792 13.905 1.00 0.00 C ATOM 781 O TRP A 53 -13.465 4.405 13.613 1.00 0.00 O ATOM 782 CB TRP A 53 -11.404 5.756 11.792 1.00 0.00 C ATOM 783 CG TRP A 53 -11.664 7.134 12.322 1.00 0.00 C ATOM 784 CD1 TRP A 53 -10.735 8.027 12.774 1.00 0.00 C ATOM 785 CD2 TRP A 53 -12.938 7.774 12.457 1.00 0.00 C ATOM 786 NE1 TRP A 53 -11.355 9.184 13.182 1.00 0.00 N ATOM 787 CE2 TRP A 53 -12.706 9.054 12.997 1.00 0.00 C ATOM 788 CE3 TRP A 53 -14.252 7.391 12.173 1.00 0.00 C ATOM 789 CZ2 TRP A 53 -13.739 9.950 13.258 1.00 0.00 C ATOM 790 CZ3 TRP A 53 -15.276 8.281 12.433 1.00 0.00 C ATOM 791 CH2 TRP A 53 -15.015 9.549 12.970 1.00 0.00 C ATOM 0 H TRP A 53 -11.969 2.836 12.365 1.00 0.00 H new ATOM 0 HA TRP A 53 -10.260 4.921 13.408 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -10.521 5.781 11.154 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -12.242 5.451 11.165 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -9.670 7.850 12.806 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -10.885 10.006 13.561 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -14.463 6.417 11.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -13.540 10.927 13.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -16.295 7.995 12.219 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -15.837 10.223 13.160 1.00 0.00 H new ATOM 802 N ARG A 54 -12.024 5.294 15.096 1.00 0.00 N ATOM 803 CA ARG A 54 -13.020 5.422 16.153 1.00 0.00 C ATOM 804 C ARG A 54 -13.798 4.121 16.327 1.00 0.00 C ATOM 805 O ARG A 54 -15.028 4.123 16.381 1.00 0.00 O ATOM 806 CB ARG A 54 -13.985 6.567 15.837 1.00 0.00 C ATOM 807 CG ARG A 54 -13.427 7.942 16.165 1.00 0.00 C ATOM 808 CD ARG A 54 -13.504 8.234 17.655 1.00 0.00 C ATOM 809 NE ARG A 54 -14.853 8.605 18.072 1.00 0.00 N ATOM 810 CZ ARG A 54 -15.115 9.333 19.151 1.00 0.00 C ATOM 811 NH1 ARG A 54 -14.125 9.766 19.919 1.00 0.00 N ATOM 812 NH2 ARG A 54 -16.370 9.629 19.465 1.00 0.00 N ATOM 0 H ARG A 54 -11.092 5.619 15.353 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.499 5.641 17.085 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.243 6.532 14.778 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -14.909 6.417 16.395 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.390 8.003 15.834 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -13.982 8.702 15.615 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.181 7.355 18.213 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.814 9.041 17.902 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.638 8.287 17.503 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -13.159 9.540 19.682 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -14.329 10.325 20.747 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -17.135 9.297 18.877 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.570 10.188 20.294 1.00 0.00 H new ATOM 826 N ASP A 55 -13.072 3.012 16.415 1.00 0.00 N ATOM 827 CA ASP A 55 -13.692 1.703 16.584 1.00 0.00 C ATOM 828 C ASP A 55 -14.583 1.366 15.393 1.00 0.00 C ATOM 829 O ASP A 55 -15.537 0.596 15.514 1.00 0.00 O ATOM 830 CB ASP A 55 -14.512 1.667 17.875 1.00 0.00 C ATOM 831 CG ASP A 55 -13.668 1.323 19.087 1.00 0.00 C ATOM 832 OD1 ASP A 55 -12.433 1.496 19.019 1.00 0.00 O ATOM 833 OD2 ASP A 55 -14.243 0.882 20.104 1.00 0.00 O ATOM 0 H ASP A 55 -12.053 2.993 16.372 1.00 0.00 H new ATOM 0 HA ASP A 55 -12.899 0.958 16.644 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -14.985 2.637 18.029 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -15.313 0.934 17.773 1.00 0.00 H new ATOM 838 N THR A 56 -14.265 1.947 14.240 1.00 0.00 N ATOM 839 CA THR A 56 -15.037 1.710 13.026 1.00 0.00 C ATOM 840 C THR A 56 -14.131 1.302 11.870 1.00 0.00 C ATOM 841 O THR A 56 -13.395 2.125 11.327 1.00 0.00 O ATOM 842 CB THR A 56 -15.840 2.960 12.619 1.00 0.00 C ATOM 843 OG1 THR A 56 -16.543 3.481 13.751 1.00 0.00 O ATOM 844 CG2 THR A 56 -16.828 2.630 11.510 1.00 0.00 C ATOM 0 H THR A 56 -13.478 2.585 14.121 1.00 0.00 H new ATOM 0 HA THR A 56 -15.730 0.898 13.244 1.00 0.00 H new ATOM 0 HB THR A 56 -15.140 3.710 12.250 1.00 0.00 H new ATOM 0 HG1 THR A 56 -15.908 3.913 14.360 1.00 0.00 H new ATOM 0 HG21 THR A 56 -17.384 3.528 11.239 1.00 0.00 H new ATOM 0 HG22 THR A 56 -16.287 2.261 10.639 1.00 0.00 H new ATOM 0 HG23 THR A 56 -17.522 1.864 11.857 1.00 0.00 H new ATOM 852 N GLU A 57 -14.192 0.027 11.498 1.00 0.00 N ATOM 853 CA GLU A 57 -13.376 -0.489 10.405 1.00 0.00 C ATOM 854 C GLU A 57 -14.254 -1.028 9.279 1.00 0.00 C ATOM 855 O GLU A 57 -15.281 -1.661 9.527 1.00 0.00 O ATOM 856 CB GLU A 57 -12.443 -1.590 10.912 1.00 0.00 C ATOM 857 CG GLU A 57 -13.036 -2.421 12.037 1.00 0.00 C ATOM 858 CD GLU A 57 -12.053 -3.431 12.597 1.00 0.00 C ATOM 859 OE1 GLU A 57 -11.112 -3.810 11.870 1.00 0.00 O ATOM 860 OE2 GLU A 57 -12.226 -3.841 13.764 1.00 0.00 O ATOM 0 H GLU A 57 -14.797 -0.667 11.937 1.00 0.00 H new ATOM 0 HA GLU A 57 -12.776 0.333 10.013 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.187 -2.248 10.082 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -11.514 -1.137 11.258 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -13.367 -1.759 12.837 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.919 -2.944 11.671 1.00 0.00 H new ATOM 867 N ARG A 58 -13.841 -0.774 8.042 1.00 0.00 N ATOM 868 CA ARG A 58 -14.590 -1.232 6.877 1.00 0.00 C ATOM 869 C ARG A 58 -13.645 -1.681 5.766 1.00 0.00 C ATOM 870 O ARG A 58 -12.704 -0.970 5.412 1.00 0.00 O ATOM 871 CB ARG A 58 -15.506 -0.120 6.364 1.00 0.00 C ATOM 872 CG ARG A 58 -16.310 -0.513 5.135 1.00 0.00 C ATOM 873 CD ARG A 58 -17.563 0.338 4.994 1.00 0.00 C ATOM 874 NE ARG A 58 -18.158 0.220 3.666 1.00 0.00 N ATOM 875 CZ ARG A 58 -17.597 0.704 2.563 1.00 0.00 C ATOM 876 NH1 ARG A 58 -16.434 1.336 2.631 1.00 0.00 N ATOM 877 NH2 ARG A 58 -18.200 0.557 1.391 1.00 0.00 N ATOM 0 H ARG A 58 -12.992 -0.254 7.820 1.00 0.00 H new ATOM 0 HA ARG A 58 -15.199 -2.084 7.179 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -16.192 0.170 7.160 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -14.903 0.757 6.128 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -15.692 -0.403 4.244 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -16.589 -1.565 5.202 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -18.292 0.037 5.746 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -17.316 1.382 5.189 1.00 0.00 H new ATOM 0 HE ARG A 58 -19.054 -0.260 3.580 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -15.968 1.451 3.531 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -16.005 1.707 1.783 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -19.096 0.072 1.336 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -17.768 0.929 0.545 1.00 0.00 H new ATOM 891 N HIS A 59 -13.902 -2.866 5.221 1.00 0.00 N ATOM 892 CA HIS A 59 -13.075 -3.410 4.150 1.00 0.00 C ATOM 893 C HIS A 59 -13.098 -2.497 2.928 1.00 0.00 C ATOM 894 O HIS A 59 -14.118 -1.878 2.622 1.00 0.00 O ATOM 895 CB HIS A 59 -13.558 -4.809 3.765 1.00 0.00 C ATOM 896 CG HIS A 59 -13.095 -5.882 4.701 1.00 0.00 C ATOM 897 ND1 HIS A 59 -12.553 -7.074 4.270 1.00 0.00 N ATOM 898 CD2 HIS A 59 -13.094 -5.937 6.053 1.00 0.00 C ATOM 899 CE1 HIS A 59 -12.239 -7.817 5.317 1.00 0.00 C ATOM 900 NE2 HIS A 59 -12.557 -7.149 6.411 1.00 0.00 N ATOM 0 H HIS A 59 -14.676 -3.467 5.503 1.00 0.00 H new ATOM 0 HA HIS A 59 -12.049 -3.475 4.514 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -14.648 -4.812 3.733 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -13.209 -5.041 2.759 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -13.449 -5.170 6.725 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -11.798 -8.802 5.284 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -12.425 -7.480 7.367 1.00 0.00 H new ATOM 909 N LEU A 60 -11.967 -2.416 2.235 1.00 0.00 N ATOM 910 CA LEU A 60 -11.857 -1.577 1.047 1.00 0.00 C ATOM 911 C LEU A 60 -11.775 -2.429 -0.215 1.00 0.00 C ATOM 912 O LEU A 60 -11.364 -3.588 -0.169 1.00 0.00 O ATOM 913 CB LEU A 60 -10.626 -0.675 1.148 1.00 0.00 C ATOM 914 CG LEU A 60 -10.783 0.584 2.002 1.00 0.00 C ATOM 915 CD1 LEU A 60 -9.447 0.992 2.603 1.00 0.00 C ATOM 916 CD2 LEU A 60 -11.368 1.719 1.174 1.00 0.00 C ATOM 0 H LEU A 60 -11.114 -2.921 2.475 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.751 -0.956 0.987 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.802 -1.263 1.552 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.338 -0.373 0.141 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.471 0.364 2.818 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.579 1.890 3.207 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -9.068 0.185 3.230 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.735 1.194 1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.473 2.607 1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.704 1.939 0.338 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -12.346 1.425 0.793 1.00 0.00 H new ATOM 928 N ALA A 61 -12.168 -1.846 -1.343 1.00 0.00 N ATOM 929 CA ALA A 61 -12.136 -2.550 -2.619 1.00 0.00 C ATOM 930 C ALA A 61 -10.810 -2.322 -3.338 1.00 0.00 C ATOM 931 O ALA A 61 -10.102 -1.346 -3.090 1.00 0.00 O ATOM 932 CB ALA A 61 -13.297 -2.107 -3.496 1.00 0.00 C ATOM 0 H ALA A 61 -12.512 -0.888 -1.399 1.00 0.00 H new ATOM 0 HA ALA A 61 -12.233 -3.617 -2.420 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.260 -2.641 -4.446 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.238 -2.327 -2.992 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -13.226 -1.035 -3.680 1.00 0.00 H new ATOM 938 N PRO A 62 -10.465 -3.243 -4.250 1.00 0.00 N ATOM 939 CA PRO A 62 -9.222 -3.164 -5.024 1.00 0.00 C ATOM 940 C PRO A 62 -9.242 -2.025 -6.037 1.00 0.00 C ATOM 941 O PRO A 62 -8.207 -1.428 -6.337 1.00 0.00 O ATOM 942 CB PRO A 62 -9.163 -4.515 -5.739 1.00 0.00 C ATOM 943 CG PRO A 62 -10.583 -4.958 -5.831 1.00 0.00 C ATOM 944 CD PRO A 62 -11.261 -4.432 -4.597 1.00 0.00 C ATOM 0 HA PRO A 62 -8.358 -2.965 -4.390 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.713 -4.420 -6.727 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.560 -5.232 -5.182 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -11.056 -4.568 -6.732 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -10.650 -6.045 -5.880 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -12.303 -4.176 -4.789 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -11.257 -5.167 -3.792 1.00 0.00 H new ATOM 952 N HIS A 63 -10.426 -1.727 -6.563 1.00 0.00 N ATOM 953 CA HIS A 63 -10.580 -0.658 -7.543 1.00 0.00 C ATOM 954 C HIS A 63 -10.546 0.709 -6.866 1.00 0.00 C ATOM 955 O HIS A 63 -10.056 1.682 -7.438 1.00 0.00 O ATOM 956 CB HIS A 63 -11.892 -0.827 -8.311 1.00 0.00 C ATOM 957 CG HIS A 63 -13.085 -1.013 -7.426 1.00 0.00 C ATOM 958 ND1 HIS A 63 -13.413 -2.222 -6.849 1.00 0.00 N ATOM 959 CD2 HIS A 63 -14.030 -0.134 -7.017 1.00 0.00 C ATOM 960 CE1 HIS A 63 -14.509 -2.079 -6.126 1.00 0.00 C ATOM 961 NE2 HIS A 63 -14.903 -0.821 -6.210 1.00 0.00 N ATOM 0 H HIS A 63 -11.292 -2.211 -6.327 1.00 0.00 H new ATOM 0 HA HIS A 63 -9.747 -0.718 -8.243 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -12.050 0.049 -8.941 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -11.806 -1.686 -8.976 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -14.087 0.913 -7.277 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -15.000 -2.858 -5.562 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -15.723 -0.424 -5.750 1.00 0.00 H new ATOM 970 N GLU A 64 -11.071 0.773 -5.646 1.00 0.00 N ATOM 971 CA GLU A 64 -11.101 2.022 -4.894 1.00 0.00 C ATOM 972 C GLU A 64 -9.688 2.542 -4.645 1.00 0.00 C ATOM 973 O GLU A 64 -8.707 1.833 -4.866 1.00 0.00 O ATOM 974 CB GLU A 64 -11.824 1.822 -3.560 1.00 0.00 C ATOM 975 CG GLU A 64 -13.335 1.942 -3.663 1.00 0.00 C ATOM 976 CD GLU A 64 -13.790 3.363 -3.933 1.00 0.00 C ATOM 977 OE1 GLU A 64 -13.873 4.152 -2.969 1.00 0.00 O ATOM 978 OE2 GLU A 64 -14.064 3.685 -5.108 1.00 0.00 O ATOM 0 H GLU A 64 -11.480 -0.024 -5.158 1.00 0.00 H new ATOM 0 HA GLU A 64 -11.642 2.760 -5.486 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.572 0.838 -3.164 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.457 2.557 -2.844 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -13.694 1.292 -4.461 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -13.788 1.589 -2.736 1.00 0.00 H new ATOM 985 N ASN A 65 -9.593 3.785 -4.186 1.00 0.00 N ATOM 986 CA ASN A 65 -8.301 4.401 -3.908 1.00 0.00 C ATOM 987 C ASN A 65 -8.216 4.856 -2.454 1.00 0.00 C ATOM 988 O ASN A 65 -9.164 5.404 -1.893 1.00 0.00 O ATOM 989 CB ASN A 65 -8.069 5.592 -4.841 1.00 0.00 C ATOM 990 CG ASN A 65 -7.773 5.162 -6.265 1.00 0.00 C ATOM 991 OD1 ASN A 65 -8.218 4.104 -6.711 1.00 0.00 O ATOM 992 ND2 ASN A 65 -7.018 5.983 -6.985 1.00 0.00 N ATOM 0 H ASN A 65 -10.396 4.386 -3.999 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.526 3.655 -4.082 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.951 6.233 -4.834 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -7.238 6.189 -4.464 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -6.785 5.747 -7.950 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -6.671 6.850 -6.574 1.00 0.00 H new ATOM 999 N PRO A 66 -7.052 4.624 -1.829 1.00 0.00 N ATOM 1000 CA PRO A 66 -6.814 5.002 -0.433 1.00 0.00 C ATOM 1001 C PRO A 66 -6.724 6.513 -0.249 1.00 0.00 C ATOM 1002 O PRO A 66 -7.331 7.074 0.663 1.00 0.00 O ATOM 1003 CB PRO A 66 -5.471 4.344 -0.111 1.00 0.00 C ATOM 1004 CG PRO A 66 -4.788 4.210 -1.428 1.00 0.00 C ATOM 1005 CD PRO A 66 -5.878 3.975 -2.437 1.00 0.00 C ATOM 0 HA PRO A 66 -7.627 4.684 0.219 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.886 4.954 0.578 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -5.610 3.372 0.363 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.222 5.110 -1.667 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.080 3.381 -1.418 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.632 4.414 -3.404 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.048 2.911 -2.604 1.00 0.00 H new ATOM 1013 N ILE A 67 -5.964 7.166 -1.122 1.00 0.00 N ATOM 1014 CA ILE A 67 -5.796 8.613 -1.056 1.00 0.00 C ATOM 1015 C ILE A 67 -7.146 9.323 -1.044 1.00 0.00 C ATOM 1016 O ILE A 67 -7.346 10.285 -0.302 1.00 0.00 O ATOM 1017 CB ILE A 67 -4.963 9.138 -2.240 1.00 0.00 C ATOM 1018 CG1 ILE A 67 -3.556 8.538 -2.207 1.00 0.00 C ATOM 1019 CG2 ILE A 67 -4.898 10.657 -2.210 1.00 0.00 C ATOM 1020 CD1 ILE A 67 -2.850 8.726 -0.882 1.00 0.00 C ATOM 0 H ILE A 67 -5.455 6.716 -1.883 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.267 8.827 -0.127 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.446 8.833 -3.168 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.619 7.473 -2.428 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.957 8.993 -2.996 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.306 11.013 -3.053 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.906 11.066 -2.277 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.435 10.983 -1.279 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.858 8.276 -0.931 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.755 9.791 -0.668 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.427 8.247 -0.091 1.00 0.00 H new ATOM 1032 N ILE A 68 -8.069 8.840 -1.870 1.00 0.00 N ATOM 1033 CA ILE A 68 -9.401 9.427 -1.952 1.00 0.00 C ATOM 1034 C ILE A 68 -10.234 9.073 -0.725 1.00 0.00 C ATOM 1035 O ILE A 68 -10.651 9.952 0.029 1.00 0.00 O ATOM 1036 CB ILE A 68 -10.145 8.959 -3.217 1.00 0.00 C ATOM 1037 CG1 ILE A 68 -9.498 9.558 -4.467 1.00 0.00 C ATOM 1038 CG2 ILE A 68 -11.615 9.342 -3.139 1.00 0.00 C ATOM 1039 CD1 ILE A 68 -8.230 8.850 -4.890 1.00 0.00 C ATOM 0 H ILE A 68 -7.919 8.045 -2.491 1.00 0.00 H new ATOM 0 HA ILE A 68 -9.268 10.508 -1.998 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.076 7.873 -3.280 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -10.214 9.525 -5.288 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -9.273 10.608 -4.282 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -12.127 9.005 -4.040 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.068 8.871 -2.266 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -11.705 10.425 -3.055 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.827 9.328 -5.782 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -7.497 8.905 -4.086 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.452 7.805 -5.107 1.00 0.00 H new ATOM 1051 N SER A 69 -10.471 7.780 -0.531 1.00 0.00 N ATOM 1052 CA SER A 69 -11.257 7.309 0.604 1.00 0.00 C ATOM 1053 C SER A 69 -10.811 7.992 1.894 1.00 0.00 C ATOM 1054 O SER A 69 -11.633 8.506 2.654 1.00 0.00 O ATOM 1055 CB SER A 69 -11.127 5.791 0.747 1.00 0.00 C ATOM 1056 OG SER A 69 -9.767 5.393 0.742 1.00 0.00 O ATOM 0 H SER A 69 -10.130 7.040 -1.145 1.00 0.00 H new ATOM 0 HA SER A 69 -12.301 7.562 0.421 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.600 5.468 1.674 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.656 5.299 -0.069 1.00 0.00 H new ATOM 0 HG SER A 69 -9.439 5.361 -0.181 1.00 0.00 H new ATOM 1062 N LEU A 70 -9.505 7.994 2.134 1.00 0.00 N ATOM 1063 CA LEU A 70 -8.948 8.613 3.332 1.00 0.00 C ATOM 1064 C LEU A 70 -9.157 10.124 3.310 1.00 0.00 C ATOM 1065 O LEU A 70 -9.479 10.730 4.331 1.00 0.00 O ATOM 1066 CB LEU A 70 -7.456 8.295 3.448 1.00 0.00 C ATOM 1067 CG LEU A 70 -6.894 8.221 4.868 1.00 0.00 C ATOM 1068 CD1 LEU A 70 -5.602 7.420 4.890 1.00 0.00 C ATOM 1069 CD2 LEU A 70 -6.667 9.619 5.425 1.00 0.00 C ATOM 0 H LEU A 70 -8.811 7.574 1.515 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.468 8.204 4.198 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.269 7.341 2.954 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.899 9.053 2.897 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.622 7.713 5.500 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.217 7.378 5.909 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.795 6.408 4.533 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.866 7.898 4.243 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.267 9.547 6.436 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.958 10.152 4.791 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.613 10.160 5.447 1.00 0.00 H new ATOM 1081 N ASN A 71 -8.973 10.725 2.139 1.00 0.00 N ATOM 1082 CA ASN A 71 -9.143 12.166 1.985 1.00 0.00 C ATOM 1083 C ASN A 71 -10.505 12.612 2.508 1.00 0.00 C ATOM 1084 O ASN A 71 -10.645 13.706 3.055 1.00 0.00 O ATOM 1085 CB ASN A 71 -8.994 12.563 0.515 1.00 0.00 C ATOM 1086 CG ASN A 71 -7.549 12.812 0.127 1.00 0.00 C ATOM 1087 OD1 ASN A 71 -6.630 12.513 0.889 1.00 0.00 O ATOM 1088 ND2 ASN A 71 -7.343 13.363 -1.063 1.00 0.00 N ATOM 0 H ASN A 71 -8.706 10.238 1.284 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.369 12.663 2.569 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.406 11.775 -0.115 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.579 13.462 0.323 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.392 13.555 -1.378 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -8.136 13.594 -1.662 1.00 0.00 H new ATOM 1095 N LYS A 72 -11.508 11.757 2.336 1.00 0.00 N ATOM 1096 CA LYS A 72 -12.859 12.060 2.792 1.00 0.00 C ATOM 1097 C LYS A 72 -12.838 12.671 4.190 1.00 0.00 C ATOM 1098 O LYS A 72 -13.315 13.787 4.397 1.00 0.00 O ATOM 1099 CB LYS A 72 -13.716 10.792 2.791 1.00 0.00 C ATOM 1100 CG LYS A 72 -13.973 10.233 1.403 1.00 0.00 C ATOM 1101 CD LYS A 72 -14.895 9.026 1.450 1.00 0.00 C ATOM 1102 CE LYS A 72 -15.126 8.447 0.062 1.00 0.00 C ATOM 1103 NZ LYS A 72 -16.138 9.227 -0.702 1.00 0.00 N ATOM 0 H LYS A 72 -11.410 10.848 1.884 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.293 12.786 2.104 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.223 10.030 3.395 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.671 11.009 3.269 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -14.416 11.006 0.775 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.026 9.951 0.942 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -14.464 8.262 2.097 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.850 9.313 1.889 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -14.185 8.436 -0.488 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -15.456 7.412 0.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -16.267 8.801 -1.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -17.043 9.217 -0.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -15.812 10.209 -0.809 1.00 0.00 H new ATOM 1117 N TRP A 73 -12.281 11.934 5.144 1.00 0.00 N ATOM 1118 CA TRP A 73 -12.196 12.405 6.522 1.00 0.00 C ATOM 1119 C TRP A 73 -11.521 13.770 6.590 1.00 0.00 C ATOM 1120 O TRP A 73 -12.024 14.690 7.234 1.00 0.00 O ATOM 1121 CB TRP A 73 -11.427 11.399 7.380 1.00 0.00 C ATOM 1122 CG TRP A 73 -11.897 9.986 7.203 1.00 0.00 C ATOM 1123 CD1 TRP A 73 -11.415 9.067 6.316 1.00 0.00 C ATOM 1124 CD2 TRP A 73 -12.943 9.334 7.932 1.00 0.00 C ATOM 1125 NE1 TRP A 73 -12.098 7.882 6.448 1.00 0.00 N ATOM 1126 CE2 TRP A 73 -13.040 8.020 7.434 1.00 0.00 C ATOM 1127 CE3 TRP A 73 -13.805 9.730 8.958 1.00 0.00 C ATOM 1128 CZ2 TRP A 73 -13.965 7.104 7.927 1.00 0.00 C ATOM 1129 CZ3 TRP A 73 -14.723 8.820 9.446 1.00 0.00 C ATOM 1130 CH2 TRP A 73 -14.797 7.519 8.931 1.00 0.00 C ATOM 0 H TRP A 73 -11.882 11.008 4.989 1.00 0.00 H new ATOM 0 HA TRP A 73 -13.210 12.502 6.910 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -10.367 11.456 7.132 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -11.524 11.678 8.429 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.614 9.245 5.614 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -11.931 7.037 5.901 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -13.755 10.730 9.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -14.024 6.101 7.531 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -15.395 9.116 10.238 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -15.525 6.830 9.334 1.00 0.00 H new ATOM 1141 N GLY A 74 -10.379 13.895 5.921 1.00 0.00 N ATOM 1142 CA GLY A 74 -9.654 15.152 5.919 1.00 0.00 C ATOM 1143 C GLY A 74 -9.235 15.582 7.311 1.00 0.00 C ATOM 1144 O GLY A 74 -8.118 15.300 7.744 1.00 0.00 O ATOM 0 H GLY A 74 -9.943 13.148 5.380 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.769 15.056 5.290 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -10.278 15.927 5.475 1.00 0.00 H new ATOM 1148 N GLN A 75 -10.132 16.268 8.012 1.00 0.00 N ATOM 1149 CA GLN A 75 -9.848 16.739 9.363 1.00 0.00 C ATOM 1150 C GLN A 75 -9.417 15.585 10.262 1.00 0.00 C ATOM 1151 O GLN A 75 -8.543 15.743 11.115 1.00 0.00 O ATOM 1152 CB GLN A 75 -11.077 17.430 9.954 1.00 0.00 C ATOM 1153 CG GLN A 75 -12.326 16.563 9.946 1.00 0.00 C ATOM 1154 CD GLN A 75 -13.528 17.266 10.545 1.00 0.00 C ATOM 1155 OE1 GLN A 75 -13.387 18.182 11.354 1.00 0.00 O ATOM 1156 NE2 GLN A 75 -14.722 16.839 10.148 1.00 0.00 N ATOM 0 H GLN A 75 -11.061 16.510 7.667 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.029 17.457 9.306 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -10.858 17.728 10.979 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -11.275 18.343 9.393 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -12.554 16.271 8.921 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.131 15.646 10.503 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -14.793 16.076 9.475 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -15.568 17.274 10.516 1.00 0.00 H new ATOM 1165 N TYR A 76 -10.035 14.426 10.067 1.00 0.00 N ATOM 1166 CA TYR A 76 -9.718 13.246 10.863 1.00 0.00 C ATOM 1167 C TYR A 76 -8.987 12.203 10.023 1.00 0.00 C ATOM 1168 O TYR A 76 -8.829 11.056 10.438 1.00 0.00 O ATOM 1169 CB TYR A 76 -10.995 12.642 11.449 1.00 0.00 C ATOM 1170 CG TYR A 76 -11.555 13.424 12.615 1.00 0.00 C ATOM 1171 CD1 TYR A 76 -10.863 13.507 13.817 1.00 0.00 C ATOM 1172 CD2 TYR A 76 -12.776 14.079 12.516 1.00 0.00 C ATOM 1173 CE1 TYR A 76 -11.370 14.220 14.886 1.00 0.00 C ATOM 1174 CE2 TYR A 76 -13.291 14.795 13.579 1.00 0.00 C ATOM 1175 CZ TYR A 76 -12.584 14.862 14.762 1.00 0.00 C ATOM 1176 OH TYR A 76 -13.095 15.573 15.824 1.00 0.00 O ATOM 0 H TYR A 76 -10.759 14.278 9.364 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.063 13.554 11.678 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.751 12.582 10.666 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -10.789 11.622 11.772 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.912 13.005 13.917 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -13.332 14.028 11.592 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -10.819 14.274 15.813 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -14.241 15.299 13.485 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.957 15.965 15.571 1.00 0.00 H new ATOM 1186 N ALA A 77 -8.542 12.612 8.839 1.00 0.00 N ATOM 1187 CA ALA A 77 -7.825 11.716 7.941 1.00 0.00 C ATOM 1188 C ALA A 77 -6.633 11.074 8.642 1.00 0.00 C ATOM 1189 O ALA A 77 -6.198 9.982 8.275 1.00 0.00 O ATOM 1190 CB ALA A 77 -7.368 12.467 6.699 1.00 0.00 C ATOM 0 H ALA A 77 -8.666 13.559 8.480 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.508 10.921 7.640 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.834 11.785 6.037 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.236 12.872 6.179 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.706 13.283 6.990 1.00 0.00 H new ATOM 1196 N SER A 78 -6.107 11.760 9.652 1.00 0.00 N ATOM 1197 CA SER A 78 -4.961 11.258 10.402 1.00 0.00 C ATOM 1198 C SER A 78 -5.391 10.188 11.400 1.00 0.00 C ATOM 1199 O SER A 78 -4.700 9.187 11.591 1.00 0.00 O ATOM 1200 CB SER A 78 -4.264 12.405 11.136 1.00 0.00 C ATOM 1201 OG SER A 78 -5.098 12.947 12.145 1.00 0.00 O ATOM 0 H SER A 78 -6.456 12.664 9.970 1.00 0.00 H new ATOM 0 HA SER A 78 -4.263 10.810 9.695 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.336 12.045 11.581 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.995 13.186 10.425 1.00 0.00 H new ATOM 0 HG SER A 78 -4.629 13.677 12.600 1.00 0.00 H new ATOM 1207 N ASP A 79 -6.538 10.407 12.035 1.00 0.00 N ATOM 1208 CA ASP A 79 -7.062 9.462 13.014 1.00 0.00 C ATOM 1209 C ASP A 79 -7.381 8.122 12.358 1.00 0.00 C ATOM 1210 O ASP A 79 -7.464 7.094 13.031 1.00 0.00 O ATOM 1211 CB ASP A 79 -8.316 10.029 13.681 1.00 0.00 C ATOM 1212 CG ASP A 79 -7.994 11.106 14.698 1.00 0.00 C ATOM 1213 OD1 ASP A 79 -7.196 12.009 14.372 1.00 0.00 O ATOM 1214 OD2 ASP A 79 -8.540 11.046 15.820 1.00 0.00 O ATOM 0 H ASP A 79 -7.122 11.230 11.889 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.297 9.301 13.774 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -8.976 10.440 12.917 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -8.860 9.222 14.171 1.00 0.00 H new ATOM 1219 N VAL A 80 -7.561 8.141 11.041 1.00 0.00 N ATOM 1220 CA VAL A 80 -7.871 6.928 10.295 1.00 0.00 C ATOM 1221 C VAL A 80 -6.619 6.089 10.064 1.00 0.00 C ATOM 1222 O VAL A 80 -5.694 6.515 9.373 1.00 0.00 O ATOM 1223 CB VAL A 80 -8.514 7.255 8.934 1.00 0.00 C ATOM 1224 CG1 VAL A 80 -8.732 5.985 8.126 1.00 0.00 C ATOM 1225 CG2 VAL A 80 -9.824 8.004 9.130 1.00 0.00 C ATOM 0 H VAL A 80 -7.497 8.983 10.469 1.00 0.00 H new ATOM 0 HA VAL A 80 -8.580 6.359 10.897 1.00 0.00 H new ATOM 0 HB VAL A 80 -7.834 7.899 8.376 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.187 6.237 7.168 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.774 5.494 7.955 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -9.391 5.313 8.675 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.265 8.227 8.158 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -10.513 7.388 9.708 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.634 8.935 9.665 1.00 0.00 H new ATOM 1235 N GLN A 81 -6.598 4.895 10.647 1.00 0.00 N ATOM 1236 CA GLN A 81 -5.459 3.996 10.505 1.00 0.00 C ATOM 1237 C GLN A 81 -5.813 2.803 9.622 1.00 0.00 C ATOM 1238 O GLN A 81 -6.938 2.303 9.658 1.00 0.00 O ATOM 1239 CB GLN A 81 -4.992 3.509 11.878 1.00 0.00 C ATOM 1240 CG GLN A 81 -4.382 4.604 12.737 1.00 0.00 C ATOM 1241 CD GLN A 81 -3.385 5.456 11.976 1.00 0.00 C ATOM 1242 OE1 GLN A 81 -2.504 4.937 11.289 1.00 0.00 O ATOM 1243 NE2 GLN A 81 -3.519 6.771 12.093 1.00 0.00 N ATOM 0 H GLN A 81 -7.356 4.528 11.222 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.649 4.549 10.029 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -5.839 3.073 12.407 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -4.258 2.714 11.742 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -5.177 5.241 13.125 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.887 4.153 13.597 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.263 7.158 12.673 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.878 7.395 11.603 1.00 0.00 H new ATOM 1252 N LEU A 82 -4.846 2.352 8.830 1.00 0.00 N ATOM 1253 CA LEU A 82 -5.056 1.218 7.937 1.00 0.00 C ATOM 1254 C LEU A 82 -4.526 -0.070 8.559 1.00 0.00 C ATOM 1255 O LEU A 82 -3.625 -0.040 9.399 1.00 0.00 O ATOM 1256 CB LEU A 82 -4.370 1.468 6.593 1.00 0.00 C ATOM 1257 CG LEU A 82 -5.021 2.519 5.693 1.00 0.00 C ATOM 1258 CD1 LEU A 82 -3.980 3.179 4.803 1.00 0.00 C ATOM 1259 CD2 LEU A 82 -6.123 1.890 4.851 1.00 0.00 C ATOM 0 H LEU A 82 -3.910 2.754 8.788 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.128 1.108 7.776 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.340 1.770 6.784 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.330 0.525 6.047 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.466 3.286 6.326 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.462 3.924 4.170 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.226 3.663 5.423 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.505 2.424 4.177 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.576 2.652 4.216 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.700 1.103 4.227 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.883 1.465 5.506 1.00 0.00 H new ATOM 1271 N ILE A 83 -5.088 -1.198 8.140 1.00 0.00 N ATOM 1272 CA ILE A 83 -4.669 -2.497 8.654 1.00 0.00 C ATOM 1273 C ILE A 83 -4.620 -3.538 7.542 1.00 0.00 C ATOM 1274 O ILE A 83 -5.624 -3.803 6.879 1.00 0.00 O ATOM 1275 CB ILE A 83 -5.613 -2.993 9.765 1.00 0.00 C ATOM 1276 CG1 ILE A 83 -5.680 -1.972 10.902 1.00 0.00 C ATOM 1277 CG2 ILE A 83 -5.151 -4.346 10.287 1.00 0.00 C ATOM 1278 CD1 ILE A 83 -6.917 -2.106 11.763 1.00 0.00 C ATOM 0 H ILE A 83 -5.835 -1.240 7.446 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.670 -2.365 9.069 1.00 0.00 H new ATOM 0 HB ILE A 83 -6.613 -3.108 9.347 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.796 -2.082 11.530 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.648 -0.968 10.480 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -5.828 -4.684 11.072 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -5.151 -5.070 9.472 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -4.143 -4.255 10.692 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.897 -1.350 12.548 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -7.806 -1.966 11.147 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -6.940 -3.098 12.214 1.00 0.00 H new ATOM 1290 N LEU A 84 -3.446 -4.128 7.343 1.00 0.00 N ATOM 1291 CA LEU A 84 -3.265 -5.143 6.311 1.00 0.00 C ATOM 1292 C LEU A 84 -3.591 -6.532 6.851 1.00 0.00 C ATOM 1293 O LEU A 84 -2.849 -7.082 7.665 1.00 0.00 O ATOM 1294 CB LEU A 84 -1.829 -5.112 5.784 1.00 0.00 C ATOM 1295 CG LEU A 84 -1.558 -5.941 4.528 1.00 0.00 C ATOM 1296 CD1 LEU A 84 -2.101 -5.237 3.295 1.00 0.00 C ATOM 1297 CD2 LEU A 84 -0.067 -6.209 4.378 1.00 0.00 C ATOM 0 H LEU A 84 -2.606 -3.921 7.883 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.950 -4.921 5.493 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.562 -4.076 5.576 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.165 -5.460 6.575 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.071 -6.897 4.630 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.898 -5.842 2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.177 -5.097 3.400 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.618 -4.266 3.188 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.108 -6.800 3.479 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.467 -5.262 4.299 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.294 -6.757 5.248 1.00 0.00 H new ATOM 1309 N ARG A 85 -4.703 -7.094 6.390 1.00 0.00 N ATOM 1310 CA ARG A 85 -5.126 -8.420 6.826 1.00 0.00 C ATOM 1311 C ARG A 85 -4.942 -9.444 5.710 1.00 0.00 C ATOM 1312 O ARG A 85 -4.826 -9.085 4.538 1.00 0.00 O ATOM 1313 CB ARG A 85 -6.590 -8.391 7.269 1.00 0.00 C ATOM 1314 CG ARG A 85 -6.981 -9.560 8.158 1.00 0.00 C ATOM 1315 CD ARG A 85 -8.335 -9.334 8.812 1.00 0.00 C ATOM 1316 NE ARG A 85 -8.251 -8.407 9.937 1.00 0.00 N ATOM 1317 CZ ARG A 85 -7.662 -8.701 11.090 1.00 0.00 C ATOM 1318 NH1 ARG A 85 -7.106 -9.892 11.270 1.00 0.00 N ATOM 1319 NH2 ARG A 85 -7.626 -7.804 12.067 1.00 0.00 N ATOM 0 H ARG A 85 -5.327 -6.653 5.715 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.503 -8.713 7.671 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.781 -7.460 7.803 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -7.228 -8.388 6.385 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -7.010 -10.475 7.566 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -6.223 -9.702 8.928 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -9.034 -8.944 8.072 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.735 -10.288 9.157 1.00 0.00 H new ATOM 0 HE ARG A 85 -8.668 -7.482 9.831 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -7.130 -10.585 10.522 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -6.654 -10.115 12.157 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -8.051 -6.887 11.933 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -7.173 -8.032 12.952 1.00 0.00 H new ATOM 1333 N ARG A 86 -4.914 -10.719 6.082 1.00 0.00 N ATOM 1334 CA ARG A 86 -4.742 -11.795 5.114 1.00 0.00 C ATOM 1335 C ARG A 86 -6.049 -12.554 4.906 1.00 0.00 C ATOM 1336 O ARG A 86 -6.772 -12.842 5.860 1.00 0.00 O ATOM 1337 CB ARG A 86 -3.648 -12.758 5.579 1.00 0.00 C ATOM 1338 CG ARG A 86 -3.910 -13.360 6.950 1.00 0.00 C ATOM 1339 CD ARG A 86 -3.198 -14.694 7.117 1.00 0.00 C ATOM 1340 NE ARG A 86 -3.936 -15.789 6.494 1.00 0.00 N ATOM 1341 CZ ARG A 86 -4.926 -16.442 7.091 1.00 0.00 C ATOM 1342 NH1 ARG A 86 -5.297 -16.110 8.321 1.00 0.00 N ATOM 1343 NH2 ARG A 86 -5.549 -17.428 6.459 1.00 0.00 N ATOM 0 H ARG A 86 -5.008 -11.032 7.048 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.445 -11.351 4.164 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.550 -13.563 4.851 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.695 -12.229 5.600 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.575 -12.668 7.723 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.982 -13.498 7.089 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.203 -14.631 6.677 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.065 -14.904 8.178 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.677 -16.068 5.548 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.821 -15.352 8.810 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -6.058 -16.613 8.778 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -5.268 -17.686 5.513 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -6.309 -17.929 6.919 1.00 0.00 H new ATOM 1357 N THR A 87 -6.348 -12.876 3.651 1.00 0.00 N ATOM 1358 CA THR A 87 -7.568 -13.600 3.317 1.00 0.00 C ATOM 1359 C THR A 87 -7.556 -14.056 1.862 1.00 0.00 C ATOM 1360 O THR A 87 -7.501 -13.237 0.945 1.00 0.00 O ATOM 1361 CB THR A 87 -8.819 -12.735 3.562 1.00 0.00 C ATOM 1362 OG1 THR A 87 -9.998 -13.543 3.471 1.00 0.00 O ATOM 1363 CG2 THR A 87 -8.897 -11.599 2.553 1.00 0.00 C ATOM 0 H THR A 87 -5.761 -12.646 2.849 1.00 0.00 H new ATOM 0 HA THR A 87 -7.606 -14.473 3.968 1.00 0.00 H new ATOM 0 HB THR A 87 -8.749 -12.307 4.562 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.789 -12.987 3.630 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.788 -11.002 2.746 1.00 0.00 H new ATOM 0 HG22 THR A 87 -8.012 -10.970 2.645 1.00 0.00 H new ATOM 0 HG23 THR A 87 -8.947 -12.011 1.545 1.00 0.00 H new ATOM 1371 N GLY A 88 -7.609 -15.368 1.658 1.00 0.00 N ATOM 1372 CA GLY A 88 -7.603 -15.910 0.312 1.00 0.00 C ATOM 1373 C GLY A 88 -6.754 -17.160 0.193 1.00 0.00 C ATOM 1374 O GLY A 88 -6.477 -17.845 1.178 1.00 0.00 O ATOM 0 H GLY A 88 -7.656 -16.066 2.401 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -8.625 -16.139 0.012 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.230 -15.154 -0.379 1.00 0.00 H new ATOM 1378 N PRO A 89 -6.326 -17.475 -1.039 1.00 0.00 N ATOM 1379 CA PRO A 89 -5.498 -18.653 -1.312 1.00 0.00 C ATOM 1380 C PRO A 89 -4.087 -18.512 -0.752 1.00 0.00 C ATOM 1381 O PRO A 89 -3.422 -17.498 -0.965 1.00 0.00 O ATOM 1382 CB PRO A 89 -5.462 -18.714 -2.841 1.00 0.00 C ATOM 1383 CG PRO A 89 -5.697 -17.311 -3.282 1.00 0.00 C ATOM 1384 CD PRO A 89 -6.617 -16.704 -2.259 1.00 0.00 C ATOM 0 HA PRO A 89 -5.901 -19.552 -0.845 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -4.502 -19.086 -3.200 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.229 -19.384 -3.229 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -4.759 -16.758 -3.341 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -6.146 -17.284 -4.275 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.418 -15.641 -2.120 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.662 -16.797 -2.553 1.00 0.00 H new ATOM 1392 N SER A 90 -3.635 -19.536 -0.035 1.00 0.00 N ATOM 1393 CA SER A 90 -2.303 -19.525 0.559 1.00 0.00 C ATOM 1394 C SER A 90 -1.226 -19.530 -0.521 1.00 0.00 C ATOM 1395 O SER A 90 -0.302 -18.718 -0.496 1.00 0.00 O ATOM 1396 CB SER A 90 -2.122 -20.733 1.481 1.00 0.00 C ATOM 1397 OG SER A 90 -0.849 -20.715 2.102 1.00 0.00 O ATOM 0 H SER A 90 -4.172 -20.384 0.149 1.00 0.00 H new ATOM 0 HA SER A 90 -2.202 -18.611 1.145 1.00 0.00 H new ATOM 0 HB2 SER A 90 -2.902 -20.733 2.243 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.237 -21.653 0.907 1.00 0.00 H new ATOM 0 HG SER A 90 -0.759 -21.496 2.687 1.00 0.00 H new ATOM 1403 N GLY A 91 -1.353 -20.452 -1.471 1.00 0.00 N ATOM 1404 CA GLY A 91 -0.385 -20.546 -2.548 1.00 0.00 C ATOM 1405 C GLY A 91 -1.006 -20.306 -3.909 1.00 0.00 C ATOM 1406 O GLY A 91 -1.296 -21.241 -4.656 1.00 0.00 O ATOM 0 H GLY A 91 -2.109 -21.135 -1.514 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.410 -19.819 -2.382 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.077 -21.533 -2.532 1.00 0.00 H new ATOM 1410 N PRO A 92 -1.222 -19.027 -4.248 1.00 0.00 N ATOM 1411 CA PRO A 92 -1.816 -18.637 -5.530 1.00 0.00 C ATOM 1412 C PRO A 92 -0.879 -18.893 -6.706 1.00 0.00 C ATOM 1413 O PRO A 92 -1.318 -18.991 -7.852 1.00 0.00 O ATOM 1414 CB PRO A 92 -2.067 -17.136 -5.364 1.00 0.00 C ATOM 1415 CG PRO A 92 -1.075 -16.697 -4.343 1.00 0.00 C ATOM 1416 CD PRO A 92 -0.901 -17.862 -3.407 1.00 0.00 C ATOM 0 HA PRO A 92 -2.715 -19.211 -5.753 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -1.928 -16.605 -6.306 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -3.087 -16.939 -5.035 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -0.128 -16.427 -4.810 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -1.429 -15.816 -3.808 1.00 0.00 H new ATOM 0 HD2 PRO A 92 0.116 -17.916 -3.017 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -1.568 -17.790 -2.548 1.00 0.00 H new ATOM 1424 N SER A 93 0.413 -19.001 -6.414 1.00 0.00 N ATOM 1425 CA SER A 93 1.413 -19.242 -7.448 1.00 0.00 C ATOM 1426 C SER A 93 0.909 -20.264 -8.462 1.00 0.00 C ATOM 1427 O SER A 93 0.413 -21.329 -8.093 1.00 0.00 O ATOM 1428 CB SER A 93 2.719 -19.731 -6.819 1.00 0.00 C ATOM 1429 OG SER A 93 3.700 -19.981 -7.811 1.00 0.00 O ATOM 0 H SER A 93 0.792 -18.925 -5.470 1.00 0.00 H new ATOM 0 HA SER A 93 1.598 -18.302 -7.967 1.00 0.00 H new ATOM 0 HB2 SER A 93 3.090 -18.985 -6.116 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.533 -20.641 -6.249 1.00 0.00 H new ATOM 0 HG SER A 93 4.526 -20.291 -7.384 1.00 0.00 H new ATOM 1435 N SER A 94 1.040 -19.932 -9.742 1.00 0.00 N ATOM 1436 CA SER A 94 0.595 -20.818 -10.812 1.00 0.00 C ATOM 1437 C SER A 94 1.044 -22.253 -10.550 1.00 0.00 C ATOM 1438 O SER A 94 2.216 -22.588 -10.715 1.00 0.00 O ATOM 1439 CB SER A 94 1.138 -20.339 -12.159 1.00 0.00 C ATOM 1440 OG SER A 94 0.817 -18.977 -12.383 1.00 0.00 O ATOM 0 H SER A 94 1.451 -19.056 -10.064 1.00 0.00 H new ATOM 0 HA SER A 94 -0.494 -20.796 -10.840 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.220 -20.470 -12.186 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.723 -20.950 -12.960 1.00 0.00 H new ATOM 0 HG SER A 94 1.177 -18.694 -13.250 1.00 0.00 H new ATOM 1446 N GLY A 95 0.101 -23.096 -10.141 1.00 0.00 N ATOM 1447 CA GLY A 95 0.418 -24.485 -9.862 1.00 0.00 C ATOM 1448 C GLY A 95 0.696 -25.280 -11.123 1.00 0.00 C ATOM 1449 O GLY A 95 -0.229 -25.686 -11.825 1.00 0.00 O ATOM 0 H GLY A 95 -0.877 -22.842 -9.998 1.00 0.00 H new ATOM 0 HA2 GLY A 95 1.288 -24.532 -9.207 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -0.411 -24.943 -9.323 1.00 0.00 H new TER 1453 GLY A 95