USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 652 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 60 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 61 GLN :FLIP amide:sc= -0.0615 F(o=-0.61,f=-0.061) USER MOD Set 2.1: A 56 ASN : amide:sc= -0.282 K(o=-6.7,f=-8.1!) USER MOD Set 2.2: A 58 ASN : amide:sc= -6.42! C(o=-6.7!,f=-8.1!) USER MOD Set 3.1: A 28 MET CE :methyl 174:sc= -1.42 (180deg=-0.00485) USER MOD Set 3.2: A 70 HIS : no HD1:sc= -2.76! C(o=-4.2!,f=-10!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.101) USER MOD Single : A 6 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0953) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 11 ASN :FLIP amide:sc= -2.06 F(o=-6.9!,f=-2.1) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -10:sc= 0.693 USER MOD Single : A 17 CYS SG : rot 50:sc= 0.136 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 13:sc= 0.363 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.466 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot 180:sc= -7.04! USER MOD Single : A 57 ASN :FLIP amide:sc= -1.04 F(o=-2.9!,f=-1) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.00354 USER MOD Single : A 64 LYS NZ :NH3+ -140:sc= -4.72! (180deg=-5.25!) USER MOD Single : A 67 ASN : amide:sc= -0.295 X(o=-0.3,f=0) USER MOD Single : A 69 THR OG1 : rot 120:sc= -0.355 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot -99:sc= 0.838 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.241 -1.955 -3.144 1.00 0.00 N ATOM 2 CA MET A 1 15.310 -0.953 -2.551 1.00 0.00 C ATOM 3 C MET A 1 14.025 -0.898 -3.381 1.00 0.00 C ATOM 4 O MET A 1 13.734 0.090 -4.027 1.00 0.00 O ATOM 5 CB MET A 1 15.975 0.424 -2.548 1.00 0.00 C ATOM 6 CG MET A 1 17.067 0.462 -1.477 1.00 0.00 C ATOM 7 SD MET A 1 17.800 2.115 -1.421 1.00 0.00 S ATOM 8 CE MET A 1 19.172 1.718 -0.309 1.00 0.00 C ATOM 0 H1 MET A 1 17.036 -2.118 -2.494 1.00 0.00 H new ATOM 0 H2 MET A 1 15.734 -2.849 -3.302 1.00 0.00 H new ATOM 0 H3 MET A 1 16.603 -1.598 -4.051 1.00 0.00 H new ATOM 0 HA MET A 1 15.070 -1.241 -1.528 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.404 0.634 -3.528 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.232 1.198 -2.353 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.646 0.206 -0.505 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.834 -0.280 -1.698 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.769 2.613 -0.133 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.778 1.353 0.639 1.00 0.00 H new ATOM 0 HE3 MET A 1 19.797 0.949 -0.762 1.00 0.00 H new ATOM 20 N GLU A 2 13.255 -1.951 -3.370 1.00 0.00 N ATOM 21 CA GLU A 2 11.991 -1.957 -4.159 1.00 0.00 C ATOM 22 C GLU A 2 11.090 -3.093 -3.668 1.00 0.00 C ATOM 23 O GLU A 2 11.476 -4.244 -3.659 1.00 0.00 O ATOM 24 CB GLU A 2 12.315 -2.167 -5.640 1.00 0.00 C ATOM 25 CG GLU A 2 11.039 -2.013 -6.470 1.00 0.00 C ATOM 26 CD GLU A 2 11.357 -2.264 -7.945 1.00 0.00 C ATOM 27 OE1 GLU A 2 12.176 -1.540 -8.485 1.00 0.00 O ATOM 28 OE2 GLU A 2 10.773 -3.176 -8.509 1.00 0.00 O ATOM 0 H GLU A 2 13.446 -2.807 -2.849 1.00 0.00 H new ATOM 0 HA GLU A 2 11.478 -1.004 -4.031 1.00 0.00 H new ATOM 0 HB2 GLU A 2 13.062 -1.443 -5.966 1.00 0.00 H new ATOM 0 HB3 GLU A 2 12.743 -3.158 -5.792 1.00 0.00 H new ATOM 0 HG2 GLU A 2 10.281 -2.717 -6.125 1.00 0.00 H new ATOM 0 HG3 GLU A 2 10.627 -1.012 -6.341 1.00 0.00 H new ATOM 35 N TRP A 3 9.887 -2.777 -3.260 1.00 0.00 N ATOM 36 CA TRP A 3 8.953 -3.835 -2.770 1.00 0.00 C ATOM 37 C TRP A 3 8.010 -4.243 -3.903 1.00 0.00 C ATOM 38 O TRP A 3 8.087 -3.730 -5.002 1.00 0.00 O ATOM 39 CB TRP A 3 8.132 -3.285 -1.601 1.00 0.00 C ATOM 40 CG TRP A 3 9.036 -3.010 -0.443 1.00 0.00 C ATOM 41 CD1 TRP A 3 10.041 -2.105 -0.440 1.00 0.00 C ATOM 42 CD2 TRP A 3 9.036 -3.627 0.877 1.00 0.00 C ATOM 43 NE1 TRP A 3 10.658 -2.126 0.798 1.00 0.00 N ATOM 44 CE2 TRP A 3 10.075 -3.048 1.644 1.00 0.00 C ATOM 45 CE3 TRP A 3 8.244 -4.622 1.478 1.00 0.00 C ATOM 46 CZ2 TRP A 3 10.319 -3.442 2.960 1.00 0.00 C ATOM 47 CZ3 TRP A 3 8.487 -5.022 2.802 1.00 0.00 C ATOM 48 CH2 TRP A 3 9.522 -4.433 3.541 1.00 0.00 C ATOM 0 H TRP A 3 9.511 -1.829 -3.245 1.00 0.00 H new ATOM 0 HA TRP A 3 9.525 -4.702 -2.440 1.00 0.00 H new ATOM 0 HB2 TRP A 3 7.619 -2.371 -1.901 1.00 0.00 H new ATOM 0 HB3 TRP A 3 7.363 -4.002 -1.314 1.00 0.00 H new ATOM 0 HD1 TRP A 3 10.317 -1.470 -1.269 1.00 0.00 H new ATOM 0 HE1 TRP A 3 11.447 -1.533 1.054 1.00 0.00 H new ATOM 0 HE3 TRP A 3 7.443 -5.082 0.917 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 11.117 -2.985 3.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 7.873 -5.788 3.253 1.00 0.00 H new ATOM 0 HH2 TRP A 3 9.704 -4.745 4.559 1.00 0.00 H new ATOM 59 N TRP A 4 7.117 -5.162 -3.646 1.00 0.00 N ATOM 60 CA TRP A 4 6.163 -5.604 -4.707 1.00 0.00 C ATOM 61 C TRP A 4 4.829 -5.976 -4.059 1.00 0.00 C ATOM 62 O TRP A 4 4.776 -6.764 -3.137 1.00 0.00 O ATOM 63 CB TRP A 4 6.736 -6.825 -5.431 1.00 0.00 C ATOM 64 CG TRP A 4 8.099 -6.502 -5.951 1.00 0.00 C ATOM 65 CD1 TRP A 4 8.361 -5.658 -6.975 1.00 0.00 C ATOM 66 CD2 TRP A 4 9.390 -7.000 -5.491 1.00 0.00 C ATOM 67 NE1 TRP A 4 9.729 -5.605 -7.174 1.00 0.00 N ATOM 68 CE2 TRP A 4 10.405 -6.415 -6.283 1.00 0.00 C ATOM 69 CE3 TRP A 4 9.773 -7.892 -4.473 1.00 0.00 C ATOM 70 CZ2 TRP A 4 11.754 -6.705 -6.074 1.00 0.00 C ATOM 71 CZ3 TRP A 4 11.130 -8.187 -4.260 1.00 0.00 C ATOM 72 CH2 TRP A 4 12.118 -7.594 -5.059 1.00 0.00 C ATOM 0 H TRP A 4 7.006 -5.627 -2.745 1.00 0.00 H new ATOM 0 HA TRP A 4 6.011 -4.797 -5.423 1.00 0.00 H new ATOM 0 HB2 TRP A 4 6.787 -7.674 -4.750 1.00 0.00 H new ATOM 0 HB3 TRP A 4 6.081 -7.114 -6.253 1.00 0.00 H new ATOM 0 HD1 TRP A 4 7.622 -5.114 -7.545 1.00 0.00 H new ATOM 0 HE1 TRP A 4 10.182 -5.038 -7.890 1.00 0.00 H new ATOM 0 HE3 TRP A 4 9.019 -8.353 -3.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 12.511 -6.246 -6.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 11.414 -8.874 -3.477 1.00 0.00 H new ATOM 0 HH2 TRP A 4 13.160 -7.824 -4.890 1.00 0.00 H new ATOM 83 N VAL A 5 3.749 -5.410 -4.527 1.00 0.00 N ATOM 84 CA VAL A 5 2.426 -5.734 -3.924 1.00 0.00 C ATOM 85 C VAL A 5 1.956 -7.107 -4.410 1.00 0.00 C ATOM 86 O VAL A 5 2.027 -7.421 -5.581 1.00 0.00 O ATOM 87 CB VAL A 5 1.405 -4.672 -4.331 1.00 0.00 C ATOM 88 CG1 VAL A 5 1.917 -3.287 -3.934 1.00 0.00 C ATOM 89 CG2 VAL A 5 1.192 -4.719 -5.844 1.00 0.00 C ATOM 0 H VAL A 5 3.726 -4.741 -5.297 1.00 0.00 H new ATOM 0 HA VAL A 5 2.522 -5.751 -2.838 1.00 0.00 H new ATOM 0 HB VAL A 5 0.461 -4.869 -3.824 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.187 -2.532 -4.225 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.066 -3.250 -2.855 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.863 -3.091 -4.438 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.464 -3.961 -6.133 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.137 -4.525 -6.351 1.00 0.00 H new ATOM 0 HG23 VAL A 5 0.823 -5.704 -6.129 1.00 0.00 H new ATOM 99 N LYS A 6 1.469 -7.927 -3.514 1.00 0.00 N ATOM 100 CA LYS A 6 0.981 -9.282 -3.912 1.00 0.00 C ATOM 101 C LYS A 6 -0.533 -9.226 -4.117 1.00 0.00 C ATOM 102 O LYS A 6 -1.090 -9.948 -4.919 1.00 0.00 O ATOM 103 CB LYS A 6 1.308 -10.284 -2.802 1.00 0.00 C ATOM 104 CG LYS A 6 0.942 -11.696 -3.262 1.00 0.00 C ATOM 105 CD LYS A 6 1.236 -12.693 -2.139 1.00 0.00 C ATOM 106 CE LYS A 6 0.785 -14.091 -2.564 1.00 0.00 C ATOM 107 NZ LYS A 6 1.718 -14.621 -3.599 1.00 0.00 N ATOM 0 H LYS A 6 1.388 -7.715 -2.520 1.00 0.00 H new ATOM 0 HA LYS A 6 1.466 -9.594 -4.837 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.368 -10.235 -2.554 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.757 -10.031 -1.896 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.113 -11.739 -3.534 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.512 -11.958 -4.153 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.302 -12.697 -1.912 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.718 -12.394 -1.228 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.766 -14.757 -1.701 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.230 -14.053 -2.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.516 -15.628 -3.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.591 -14.091 -4.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.699 -14.514 -3.270 1.00 0.00 H new ATOM 121 N LYS A 7 -1.202 -8.367 -3.394 1.00 0.00 N ATOM 122 CA LYS A 7 -2.681 -8.250 -3.536 1.00 0.00 C ATOM 123 C LYS A 7 -3.110 -6.834 -3.146 1.00 0.00 C ATOM 124 O LYS A 7 -2.355 -6.092 -2.549 1.00 0.00 O ATOM 125 CB LYS A 7 -3.361 -9.263 -2.611 1.00 0.00 C ATOM 126 CG LYS A 7 -4.873 -9.251 -2.854 1.00 0.00 C ATOM 127 CD LYS A 7 -5.500 -10.493 -2.217 1.00 0.00 C ATOM 128 CE LYS A 7 -7.015 -10.463 -2.425 1.00 0.00 C ATOM 129 NZ LYS A 7 -7.640 -11.594 -1.681 1.00 0.00 N ATOM 0 H LYS A 7 -0.784 -7.739 -2.708 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.971 -8.450 -4.568 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.962 -10.261 -2.793 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.148 -9.019 -1.570 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.314 -8.349 -2.429 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.080 -9.233 -3.924 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.079 -11.395 -2.662 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.269 -10.525 -1.152 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.422 -9.514 -2.076 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.249 -10.539 -3.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.670 -11.575 -1.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.259 -12.495 -2.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.427 -11.502 -0.667 1.00 0.00 H new ATOM 143 N VAL A 8 -4.311 -6.450 -3.479 1.00 0.00 N ATOM 144 CA VAL A 8 -4.776 -5.079 -3.124 1.00 0.00 C ATOM 145 C VAL A 8 -6.305 -5.026 -3.170 1.00 0.00 C ATOM 146 O VAL A 8 -6.943 -5.776 -3.882 1.00 0.00 O ATOM 147 CB VAL A 8 -4.195 -4.070 -4.120 1.00 0.00 C ATOM 148 CG1 VAL A 8 -4.493 -4.532 -5.548 1.00 0.00 C ATOM 149 CG2 VAL A 8 -4.825 -2.689 -3.888 1.00 0.00 C ATOM 0 H VAL A 8 -4.989 -7.024 -3.980 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.439 -4.831 -2.118 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.117 -4.003 -3.975 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.080 -3.814 -6.256 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.041 -5.509 -5.716 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.571 -4.602 -5.690 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.409 -1.975 -4.599 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.904 -2.753 -4.028 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.610 -2.357 -2.872 1.00 0.00 H new ATOM 159 N GLN A 9 -6.893 -4.135 -2.412 1.00 0.00 N ATOM 160 CA GLN A 9 -8.384 -4.006 -2.392 1.00 0.00 C ATOM 161 C GLN A 9 -8.757 -2.524 -2.459 1.00 0.00 C ATOM 162 O GLN A 9 -8.287 -1.720 -1.680 1.00 0.00 O ATOM 163 CB GLN A 9 -8.930 -4.611 -1.097 1.00 0.00 C ATOM 164 CG GLN A 9 -8.268 -5.969 -0.849 1.00 0.00 C ATOM 165 CD GLN A 9 -8.940 -6.653 0.344 1.00 0.00 C ATOM 166 OE1 GLN A 9 -9.817 -5.994 1.050 1.00 0.00 O flip ATOM 167 NE2 GLN A 9 -8.662 -7.800 0.636 1.00 0.00 N flip ATOM 0 H GLN A 9 -6.400 -3.485 -1.800 1.00 0.00 H new ATOM 0 HA GLN A 9 -8.812 -4.533 -3.245 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.735 -3.941 -0.260 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.011 -4.729 -1.166 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.354 -6.595 -1.737 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.204 -5.837 -0.654 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.976 -8.315 0.084 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -9.115 -8.247 1.433 1.00 0.00 H new ATOM 176 N ASP A 10 -9.596 -2.154 -3.388 1.00 0.00 N ATOM 177 CA ASP A 10 -9.992 -0.722 -3.507 1.00 0.00 C ATOM 178 C ASP A 10 -10.558 -0.234 -2.172 1.00 0.00 C ATOM 179 O ASP A 10 -10.758 -1.001 -1.251 1.00 0.00 O ATOM 180 CB ASP A 10 -11.053 -0.576 -4.599 1.00 0.00 C ATOM 181 CG ASP A 10 -12.098 -1.682 -4.449 1.00 0.00 C ATOM 182 OD1 ASP A 10 -11.795 -2.809 -4.807 1.00 0.00 O ATOM 183 OD2 ASP A 10 -13.184 -1.385 -3.979 1.00 0.00 O ATOM 0 H ASP A 10 -10.024 -2.781 -4.069 1.00 0.00 H new ATOM 0 HA ASP A 10 -9.119 -0.124 -3.768 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.530 0.401 -4.528 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -10.587 -0.633 -5.583 1.00 0.00 H new ATOM 188 N ASN A 11 -10.815 1.041 -2.059 1.00 0.00 N ATOM 189 CA ASN A 11 -11.366 1.584 -0.786 1.00 0.00 C ATOM 190 C ASN A 11 -12.858 1.261 -0.698 1.00 0.00 C ATOM 191 O ASN A 11 -13.696 2.141 -0.702 1.00 0.00 O ATOM 192 CB ASN A 11 -11.169 3.101 -0.751 1.00 0.00 C ATOM 193 CG ASN A 11 -11.940 3.743 -1.906 1.00 0.00 C ATOM 194 OD1 ASN A 11 -12.525 2.980 -2.789 1.00 0.00 O flip ATOM 195 ND2 ASN A 11 -12.011 4.953 -2.006 1.00 0.00 N flip ATOM 0 H ASN A 11 -10.667 1.731 -2.795 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.846 1.131 0.058 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.518 3.502 0.201 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.109 3.343 -0.829 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -11.554 5.549 -1.316 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -12.528 5.371 -2.780 1.00 0.00 H new ATOM 202 N ALA A 12 -13.195 0.005 -0.619 1.00 0.00 N ATOM 203 CA ALA A 12 -14.632 -0.376 -0.530 1.00 0.00 C ATOM 204 C ALA A 12 -15.172 -0.016 0.855 1.00 0.00 C ATOM 205 O ALA A 12 -16.355 -0.106 1.114 1.00 0.00 O ATOM 206 CB ALA A 12 -14.771 -1.881 -0.761 1.00 0.00 C ATOM 0 H ALA A 12 -12.538 -0.775 -0.612 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.201 0.162 -1.288 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -15.822 -2.163 -0.697 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -14.387 -2.134 -1.749 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -14.203 -2.420 -0.002 1.00 0.00 H new ATOM 212 N SER A 13 -14.314 0.394 1.750 1.00 0.00 N ATOM 213 CA SER A 13 -14.779 0.761 3.118 1.00 0.00 C ATOM 214 C SER A 13 -15.329 2.188 3.103 1.00 0.00 C ATOM 215 O SER A 13 -16.392 2.459 3.625 1.00 0.00 O ATOM 216 CB SER A 13 -13.604 0.678 4.095 1.00 0.00 C ATOM 217 OG SER A 13 -14.100 0.666 5.426 1.00 0.00 O ATOM 0 H SER A 13 -13.311 0.491 1.593 1.00 0.00 H new ATOM 0 HA SER A 13 -15.563 0.072 3.433 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.020 -0.223 3.904 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.936 1.527 3.951 1.00 0.00 H new ATOM 0 HG SER A 13 -13.350 0.611 6.054 1.00 0.00 H new ATOM 223 N ALA A 14 -14.610 3.100 2.505 1.00 0.00 N ATOM 224 CA ALA A 14 -15.076 4.516 2.446 1.00 0.00 C ATOM 225 C ALA A 14 -13.941 5.384 1.891 1.00 0.00 C ATOM 226 O ALA A 14 -14.150 6.240 1.055 1.00 0.00 O ATOM 227 CB ALA A 14 -15.458 4.993 3.857 1.00 0.00 C ATOM 0 H ALA A 14 -13.713 2.923 2.052 1.00 0.00 H new ATOM 0 HA ALA A 14 -15.950 4.595 1.799 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -15.798 6.028 3.812 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -16.258 4.365 4.249 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -14.589 4.925 4.512 1.00 0.00 H new ATOM 233 N SER A 15 -12.742 5.164 2.355 1.00 0.00 N ATOM 234 CA SER A 15 -11.590 5.968 1.862 1.00 0.00 C ATOM 235 C SER A 15 -10.287 5.322 2.336 1.00 0.00 C ATOM 236 O SER A 15 -9.318 5.995 2.624 1.00 0.00 O ATOM 237 CB SER A 15 -11.685 7.391 2.414 1.00 0.00 C ATOM 238 OG SER A 15 -12.824 8.034 1.858 1.00 0.00 O ATOM 0 H SER A 15 -12.510 4.460 3.056 1.00 0.00 H new ATOM 0 HA SER A 15 -11.607 6.003 0.773 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.761 7.368 3.501 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.782 7.950 2.169 1.00 0.00 H new ATOM 0 HG SER A 15 -13.194 7.480 1.139 1.00 0.00 H new ATOM 244 N LEU A 16 -10.261 4.016 2.422 1.00 0.00 N ATOM 245 CA LEU A 16 -9.027 3.304 2.881 1.00 0.00 C ATOM 246 C LEU A 16 -8.805 2.065 2.014 1.00 0.00 C ATOM 247 O LEU A 16 -9.586 1.135 2.038 1.00 0.00 O ATOM 248 CB LEU A 16 -9.204 2.862 4.340 1.00 0.00 C ATOM 249 CG LEU A 16 -9.136 4.078 5.285 1.00 0.00 C ATOM 250 CD1 LEU A 16 -9.848 3.745 6.599 1.00 0.00 C ATOM 251 CD2 LEU A 16 -7.674 4.438 5.589 1.00 0.00 C ATOM 0 H LEU A 16 -11.047 3.407 2.193 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.172 3.975 2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -10.161 2.355 4.459 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.428 2.144 4.605 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.621 4.924 4.799 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.800 4.605 7.267 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -10.891 3.501 6.396 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.361 2.891 7.071 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.643 5.298 6.257 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.182 3.590 6.066 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.158 4.681 4.660 1.00 0.00 H new ATOM 263 N CYS A 17 -7.738 2.035 1.259 1.00 0.00 N ATOM 264 CA CYS A 17 -7.456 0.846 0.403 1.00 0.00 C ATOM 265 C CYS A 17 -6.481 -0.058 1.152 1.00 0.00 C ATOM 266 O CYS A 17 -5.676 0.409 1.927 1.00 0.00 O ATOM 267 CB CYS A 17 -6.824 1.305 -0.914 1.00 0.00 C ATOM 268 SG CYS A 17 -6.113 -0.119 -1.777 1.00 0.00 S ATOM 0 H CYS A 17 -7.049 2.784 1.199 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.378 0.307 0.185 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.575 1.785 -1.541 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.050 2.047 -0.718 1.00 0.00 H new ATOM 0 HG CYS A 17 -6.995 -1.072 -1.841 1.00 0.00 H new ATOM 274 N ARG A 18 -6.549 -1.346 0.936 1.00 0.00 N ATOM 275 CA ARG A 18 -5.619 -2.282 1.644 1.00 0.00 C ATOM 276 C ARG A 18 -4.593 -2.815 0.649 1.00 0.00 C ATOM 277 O ARG A 18 -4.900 -3.052 -0.503 1.00 0.00 O ATOM 278 CB ARG A 18 -6.419 -3.451 2.224 1.00 0.00 C ATOM 279 CG ARG A 18 -7.332 -2.940 3.340 1.00 0.00 C ATOM 280 CD ARG A 18 -8.037 -4.124 4.006 1.00 0.00 C ATOM 281 NE ARG A 18 -9.014 -3.619 5.010 1.00 0.00 N ATOM 282 CZ ARG A 18 -10.146 -3.103 4.616 1.00 0.00 C ATOM 283 NH1 ARG A 18 -10.423 -3.032 3.342 1.00 0.00 N ATOM 284 NH2 ARG A 18 -11.002 -2.658 5.495 1.00 0.00 N ATOM 0 H ARG A 18 -7.209 -1.793 0.299 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.110 -1.754 2.451 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.013 -3.923 1.441 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.742 -4.212 2.613 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.749 -2.389 4.078 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.068 -2.247 2.933 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.549 -4.725 3.255 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.305 -4.772 4.489 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.798 -3.676 6.005 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.755 -3.380 2.655 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.308 -2.629 3.034 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.786 -2.713 6.490 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -11.887 -2.255 5.187 1.00 0.00 H new ATOM 298 N VAL A 19 -3.370 -3.000 1.079 1.00 0.00 N ATOM 299 CA VAL A 19 -2.317 -3.513 0.148 1.00 0.00 C ATOM 300 C VAL A 19 -1.398 -4.497 0.871 1.00 0.00 C ATOM 301 O VAL A 19 -0.961 -4.256 1.979 1.00 0.00 O ATOM 302 CB VAL A 19 -1.473 -2.342 -0.366 1.00 0.00 C ATOM 303 CG1 VAL A 19 -2.386 -1.266 -0.951 1.00 0.00 C ATOM 304 CG2 VAL A 19 -0.659 -1.746 0.788 1.00 0.00 C ATOM 0 H VAL A 19 -3.055 -2.819 2.032 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.807 -4.020 -0.683 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.796 -2.703 -1.140 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.782 -0.435 -1.315 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.961 -1.686 -1.776 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.067 -0.908 -0.179 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.060 -0.914 0.419 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.336 -1.390 1.565 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.002 -2.510 1.202 1.00 0.00 H new ATOM 314 N VAL A 20 -1.077 -5.589 0.233 1.00 0.00 N ATOM 315 CA VAL A 20 -0.153 -6.587 0.849 1.00 0.00 C ATOM 316 C VAL A 20 1.227 -6.400 0.218 1.00 0.00 C ATOM 317 O VAL A 20 1.409 -6.614 -0.964 1.00 0.00 O ATOM 318 CB VAL A 20 -0.657 -8.004 0.565 1.00 0.00 C ATOM 319 CG1 VAL A 20 0.145 -9.006 1.397 1.00 0.00 C ATOM 320 CG2 VAL A 20 -2.137 -8.103 0.939 1.00 0.00 C ATOM 0 H VAL A 20 -1.417 -5.836 -0.696 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.104 -6.443 1.928 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.533 -8.228 -0.495 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.213 -10.016 1.195 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.200 -8.936 1.133 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.020 -8.782 2.456 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.497 -9.112 0.737 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.260 -7.879 1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.710 -7.388 0.348 1.00 0.00 H new ATOM 330 N LEU A 21 2.199 -5.979 0.984 1.00 0.00 N ATOM 331 CA LEU A 21 3.562 -5.754 0.410 1.00 0.00 C ATOM 332 C LEU A 21 4.437 -6.988 0.635 1.00 0.00 C ATOM 333 O LEU A 21 4.629 -7.434 1.749 1.00 0.00 O ATOM 334 CB LEU A 21 4.206 -4.549 1.101 1.00 0.00 C ATOM 335 CG LEU A 21 3.189 -3.412 1.204 1.00 0.00 C ATOM 336 CD1 LEU A 21 3.876 -2.166 1.768 1.00 0.00 C ATOM 337 CD2 LEU A 21 2.622 -3.101 -0.186 1.00 0.00 C ATOM 0 H LEU A 21 2.110 -5.781 1.981 1.00 0.00 H new ATOM 0 HA LEU A 21 3.473 -5.568 -0.660 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.554 -4.830 2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.080 -4.219 0.539 1.00 0.00 H new ATOM 0 HG LEU A 21 2.376 -3.711 1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.153 -1.354 1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.276 -2.387 2.758 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.689 -1.868 1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.897 -2.290 -0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.432 -2.802 -0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.133 -3.989 -0.586 1.00 0.00 H new ATOM 349 N GLN A 22 4.968 -7.540 -0.429 1.00 0.00 N ATOM 350 CA GLN A 22 5.840 -8.750 -0.313 1.00 0.00 C ATOM 351 C GLN A 22 7.302 -8.344 -0.508 1.00 0.00 C ATOM 352 O GLN A 22 7.613 -7.446 -1.267 1.00 0.00 O ATOM 353 CB GLN A 22 5.448 -9.759 -1.395 1.00 0.00 C ATOM 354 CG GLN A 22 6.367 -10.979 -1.310 1.00 0.00 C ATOM 355 CD GLN A 22 5.807 -12.103 -2.185 1.00 0.00 C ATOM 356 OE1 GLN A 22 5.164 -13.008 -1.692 1.00 0.00 O ATOM 357 NE2 GLN A 22 6.024 -12.081 -3.471 1.00 0.00 N ATOM 0 H GLN A 22 4.833 -7.200 -1.381 1.00 0.00 H new ATOM 0 HA GLN A 22 5.714 -9.198 0.672 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.409 -10.063 -1.265 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.525 -9.300 -2.381 1.00 0.00 H new ATOM 0 HG2 GLN A 22 7.372 -10.714 -1.639 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.448 -11.315 -0.276 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.564 -11.321 -3.884 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.654 -12.824 -4.063 1.00 0.00 H new ATOM 366 N SER A 23 8.202 -9.002 0.174 1.00 0.00 N ATOM 367 CA SER A 23 9.648 -8.662 0.033 1.00 0.00 C ATOM 368 C SER A 23 10.491 -9.903 0.334 1.00 0.00 C ATOM 369 O SER A 23 10.210 -10.648 1.252 1.00 0.00 O ATOM 370 CB SER A 23 10.009 -7.551 1.019 1.00 0.00 C ATOM 371 OG SER A 23 11.412 -7.562 1.247 1.00 0.00 O ATOM 0 H SER A 23 7.998 -9.761 0.824 1.00 0.00 H new ATOM 0 HA SER A 23 9.846 -8.323 -0.984 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.701 -6.583 0.623 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.475 -7.695 1.958 1.00 0.00 H new ATOM 0 HG SER A 23 11.647 -6.850 1.878 1.00 0.00 H new ATOM 377 N GLY A 24 11.522 -10.134 -0.433 1.00 0.00 N ATOM 378 CA GLY A 24 12.378 -11.329 -0.189 1.00 0.00 C ATOM 379 C GLY A 24 11.506 -12.586 -0.178 1.00 0.00 C ATOM 380 O GLY A 24 11.322 -13.234 -1.189 1.00 0.00 O ATOM 0 H GLY A 24 11.808 -9.547 -1.217 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.140 -11.409 -0.964 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.901 -11.227 0.762 1.00 0.00 H new ATOM 384 N ALA A 25 10.966 -12.936 0.958 1.00 0.00 N ATOM 385 CA ALA A 25 10.102 -14.151 1.040 1.00 0.00 C ATOM 386 C ALA A 25 9.064 -13.968 2.149 1.00 0.00 C ATOM 387 O ALA A 25 8.402 -14.904 2.550 1.00 0.00 O ATOM 388 CB ALA A 25 10.971 -15.372 1.353 1.00 0.00 C ATOM 0 H ALA A 25 11.086 -12.432 1.836 1.00 0.00 H new ATOM 0 HA ALA A 25 9.593 -14.299 0.088 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.342 -16.260 1.413 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.711 -15.504 0.563 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.480 -15.222 2.305 1.00 0.00 H new ATOM 394 N LEU A 26 8.918 -12.764 2.646 1.00 0.00 N ATOM 395 CA LEU A 26 7.924 -12.496 3.734 1.00 0.00 C ATOM 396 C LEU A 26 6.760 -11.681 3.165 1.00 0.00 C ATOM 397 O LEU A 26 6.803 -11.223 2.041 1.00 0.00 O ATOM 398 CB LEU A 26 8.602 -11.700 4.854 1.00 0.00 C ATOM 399 CG LEU A 26 9.970 -12.311 5.165 1.00 0.00 C ATOM 400 CD1 LEU A 26 10.617 -11.548 6.322 1.00 0.00 C ATOM 401 CD2 LEU A 26 9.799 -13.783 5.557 1.00 0.00 C ATOM 0 H LEU A 26 9.449 -11.948 2.342 1.00 0.00 H new ATOM 0 HA LEU A 26 7.550 -13.440 4.131 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.718 -10.658 4.554 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.978 -11.707 5.748 1.00 0.00 H new ATOM 0 HG LEU A 26 10.606 -12.243 4.282 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.592 -11.982 6.544 1.00 0.00 H new ATOM 0 HD12 LEU A 26 10.741 -10.502 6.043 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.980 -11.616 7.204 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.774 -14.216 5.778 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.162 -13.853 6.439 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.338 -14.328 4.733 1.00 0.00 H new ATOM 413 N GLU A 27 5.720 -11.494 3.939 1.00 0.00 N ATOM 414 CA GLU A 27 4.542 -10.706 3.456 1.00 0.00 C ATOM 415 C GLU A 27 4.068 -9.773 4.571 1.00 0.00 C ATOM 416 O GLU A 27 4.225 -10.059 5.741 1.00 0.00 O ATOM 417 CB GLU A 27 3.409 -11.662 3.071 1.00 0.00 C ATOM 418 CG GLU A 27 3.980 -12.833 2.270 1.00 0.00 C ATOM 419 CD GLU A 27 2.834 -13.638 1.655 1.00 0.00 C ATOM 420 OE1 GLU A 27 1.731 -13.548 2.168 1.00 0.00 O ATOM 421 OE2 GLU A 27 3.079 -14.332 0.682 1.00 0.00 O ATOM 0 H GLU A 27 5.635 -11.855 4.889 1.00 0.00 H new ATOM 0 HA GLU A 27 4.828 -10.118 2.584 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.909 -12.030 3.967 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.659 -11.135 2.481 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.640 -12.463 1.486 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.581 -13.472 2.918 1.00 0.00 H new ATOM 428 N MET A 28 3.489 -8.655 4.217 1.00 0.00 N ATOM 429 CA MET A 28 3.003 -7.694 5.254 1.00 0.00 C ATOM 430 C MET A 28 1.702 -7.048 4.775 1.00 0.00 C ATOM 431 O MET A 28 1.489 -6.871 3.594 1.00 0.00 O ATOM 432 CB MET A 28 4.060 -6.608 5.471 1.00 0.00 C ATOM 433 CG MET A 28 5.423 -7.261 5.711 1.00 0.00 C ATOM 434 SD MET A 28 6.620 -5.995 6.202 1.00 0.00 S ATOM 435 CE MET A 28 6.298 -6.053 7.981 1.00 0.00 C ATOM 0 H MET A 28 3.331 -8.365 3.252 1.00 0.00 H new ATOM 0 HA MET A 28 2.825 -8.223 6.190 1.00 0.00 H new ATOM 0 HB2 MET A 28 4.107 -5.953 4.601 1.00 0.00 H new ATOM 0 HB3 MET A 28 3.788 -5.986 6.324 1.00 0.00 H new ATOM 0 HG2 MET A 28 5.342 -8.021 6.488 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.761 -7.765 4.806 1.00 0.00 H new ATOM 0 HE1 MET A 28 7.013 -5.416 8.501 1.00 0.00 H new ATOM 0 HE2 MET A 28 5.286 -5.700 8.179 1.00 0.00 H new ATOM 0 HE3 MET A 28 6.401 -7.078 8.336 1.00 0.00 H new ATOM 445 N ILE A 29 0.838 -6.685 5.691 1.00 0.00 N ATOM 446 CA ILE A 29 -0.460 -6.035 5.315 1.00 0.00 C ATOM 447 C ILE A 29 -0.455 -4.608 5.861 1.00 0.00 C ATOM 448 O ILE A 29 0.044 -4.353 6.938 1.00 0.00 O ATOM 449 CB ILE A 29 -1.624 -6.818 5.933 1.00 0.00 C ATOM 450 CG1 ILE A 29 -1.733 -8.184 5.250 1.00 0.00 C ATOM 451 CG2 ILE A 29 -2.929 -6.043 5.732 1.00 0.00 C ATOM 452 CD1 ILE A 29 -2.718 -9.065 6.023 1.00 0.00 C ATOM 0 H ILE A 29 0.977 -6.812 6.694 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.577 -6.024 4.231 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.445 -6.954 7.000 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.069 -8.062 4.220 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.754 -8.662 5.211 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.755 -6.601 6.172 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.852 -5.069 6.215 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.111 -5.906 4.666 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.795 -10.037 5.537 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.363 -9.198 7.045 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.698 -8.588 6.039 1.00 0.00 H new ATOM 464 N ALA A 30 -0.993 -3.667 5.128 1.00 0.00 N ATOM 465 CA ALA A 30 -0.993 -2.259 5.621 1.00 0.00 C ATOM 466 C ALA A 30 -2.239 -1.519 5.137 1.00 0.00 C ATOM 467 O ALA A 30 -2.698 -1.710 4.028 1.00 0.00 O ATOM 468 CB ALA A 30 0.257 -1.552 5.094 1.00 0.00 C ATOM 0 H ALA A 30 -1.429 -3.812 4.217 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.995 -2.262 6.711 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.268 -0.521 5.448 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.146 -2.069 5.454 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.248 -1.561 4.004 1.00 0.00 H new ATOM 474 N GLU A 31 -2.778 -0.659 5.962 1.00 0.00 N ATOM 475 CA GLU A 31 -3.984 0.119 5.555 1.00 0.00 C ATOM 476 C GLU A 31 -3.520 1.372 4.808 1.00 0.00 C ATOM 477 O GLU A 31 -2.725 2.145 5.307 1.00 0.00 O ATOM 478 CB GLU A 31 -4.780 0.522 6.802 1.00 0.00 C ATOM 479 CG GLU A 31 -5.655 -0.650 7.261 1.00 0.00 C ATOM 480 CD GLU A 31 -6.125 -0.409 8.697 1.00 0.00 C ATOM 481 OE1 GLU A 31 -5.345 0.116 9.475 1.00 0.00 O ATOM 482 OE2 GLU A 31 -7.257 -0.753 8.995 1.00 0.00 O ATOM 0 H GLU A 31 -2.434 -0.462 6.902 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.623 -0.485 4.910 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.098 0.814 7.601 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.403 1.389 6.582 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.515 -0.756 6.599 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.092 -1.582 7.204 1.00 0.00 H new ATOM 489 N ILE A 32 -3.993 1.559 3.605 1.00 0.00 N ATOM 490 CA ILE A 32 -3.576 2.739 2.781 1.00 0.00 C ATOM 491 C ILE A 32 -4.756 3.707 2.628 1.00 0.00 C ATOM 492 O ILE A 32 -5.903 3.308 2.570 1.00 0.00 O ATOM 493 CB ILE A 32 -3.114 2.221 1.399 1.00 0.00 C ATOM 494 CG1 ILE A 32 -1.633 1.805 1.453 1.00 0.00 C ATOM 495 CG2 ILE A 32 -3.278 3.302 0.323 1.00 0.00 C ATOM 496 CD1 ILE A 32 -1.360 0.919 2.673 1.00 0.00 C ATOM 0 H ILE A 32 -4.660 0.937 3.149 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.759 3.275 3.265 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.735 1.362 1.145 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.368 1.269 0.542 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.003 2.693 1.495 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.946 2.911 -0.639 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.327 3.591 0.255 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.678 4.173 0.588 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.307 0.638 2.690 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.604 1.468 3.583 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.975 0.021 2.615 1.00 0.00 H new ATOM 508 N GLU A 33 -4.463 4.982 2.550 1.00 0.00 N ATOM 509 CA GLU A 33 -5.531 6.017 2.386 1.00 0.00 C ATOM 510 C GLU A 33 -5.300 6.758 1.066 1.00 0.00 C ATOM 511 O GLU A 33 -4.482 7.652 0.983 1.00 0.00 O ATOM 512 CB GLU A 33 -5.446 7.012 3.546 1.00 0.00 C ATOM 513 CG GLU A 33 -6.723 7.856 3.591 1.00 0.00 C ATOM 514 CD GLU A 33 -6.596 8.914 4.689 1.00 0.00 C ATOM 515 OE1 GLU A 33 -5.942 9.915 4.447 1.00 0.00 O ATOM 516 OE2 GLU A 33 -7.155 8.705 5.753 1.00 0.00 O ATOM 0 H GLU A 33 -3.515 5.355 2.594 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.513 5.545 2.380 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.317 6.479 4.488 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.576 7.657 3.423 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.889 8.336 2.626 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.586 7.219 3.783 1.00 0.00 H new ATOM 523 N ALA A 34 -6.008 6.392 0.028 1.00 0.00 N ATOM 524 CA ALA A 34 -5.818 7.075 -1.288 1.00 0.00 C ATOM 525 C ALA A 34 -7.148 7.134 -2.039 1.00 0.00 C ATOM 526 O ALA A 34 -8.188 6.789 -1.516 1.00 0.00 O ATOM 527 CB ALA A 34 -4.806 6.291 -2.128 1.00 0.00 C ATOM 0 H ALA A 34 -6.709 5.651 0.034 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.452 8.087 -1.114 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.667 6.788 -3.088 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.853 6.246 -1.601 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.177 5.280 -2.294 1.00 0.00 H new ATOM 533 N CYS A 35 -7.113 7.566 -3.271 1.00 0.00 N ATOM 534 CA CYS A 35 -8.360 7.653 -4.087 1.00 0.00 C ATOM 535 C CYS A 35 -8.026 7.283 -5.531 1.00 0.00 C ATOM 536 O CYS A 35 -8.899 7.054 -6.344 1.00 0.00 O ATOM 537 CB CYS A 35 -8.903 9.082 -4.039 1.00 0.00 C ATOM 538 SG CYS A 35 -9.652 9.390 -2.420 1.00 0.00 S ATOM 0 H CYS A 35 -6.265 7.866 -3.752 1.00 0.00 H new ATOM 0 HA CYS A 35 -9.112 6.971 -3.692 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -8.098 9.794 -4.221 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -9.642 9.228 -4.827 1.00 0.00 H new ATOM 0 HG CYS A 35 -9.313 8.442 -1.597 1.00 0.00 H new ATOM 544 N ARG A 36 -6.762 7.219 -5.852 1.00 0.00 N ATOM 545 CA ARG A 36 -6.358 6.858 -7.239 1.00 0.00 C ATOM 546 C ARG A 36 -6.693 5.388 -7.488 1.00 0.00 C ATOM 547 O ARG A 36 -7.152 5.014 -8.549 1.00 0.00 O ATOM 548 CB ARG A 36 -4.850 7.066 -7.405 1.00 0.00 C ATOM 549 CG ARG A 36 -4.483 8.513 -7.057 1.00 0.00 C ATOM 550 CD ARG A 36 -2.975 8.613 -6.818 1.00 0.00 C ATOM 551 NE ARG A 36 -2.645 8.034 -5.485 1.00 0.00 N ATOM 552 CZ ARG A 36 -2.843 8.734 -4.402 1.00 0.00 C ATOM 553 NH1 ARG A 36 -3.332 9.941 -4.485 1.00 0.00 N ATOM 554 NH2 ARG A 36 -2.553 8.227 -3.235 1.00 0.00 N ATOM 0 H ARG A 36 -5.990 7.402 -5.211 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.891 7.488 -7.951 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.306 6.378 -6.758 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.554 6.843 -8.430 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.779 9.179 -7.867 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.025 8.833 -6.167 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.436 8.081 -7.601 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.657 9.655 -6.863 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.264 7.090 -5.419 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.560 10.337 -5.397 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.487 10.488 -3.638 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.171 7.283 -3.169 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.708 8.774 -2.388 1.00 0.00 H new ATOM 568 N LEU A 37 -6.462 4.550 -6.513 1.00 0.00 N ATOM 569 CA LEU A 37 -6.763 3.102 -6.683 1.00 0.00 C ATOM 570 C LEU A 37 -6.203 2.622 -8.024 1.00 0.00 C ATOM 571 O LEU A 37 -6.736 1.726 -8.648 1.00 0.00 O ATOM 572 CB LEU A 37 -8.277 2.899 -6.649 1.00 0.00 C ATOM 573 CG LEU A 37 -8.880 3.731 -5.516 1.00 0.00 C ATOM 574 CD1 LEU A 37 -10.374 3.426 -5.398 1.00 0.00 C ATOM 575 CD2 LEU A 37 -8.183 3.386 -4.195 1.00 0.00 C ATOM 0 H LEU A 37 -6.077 4.808 -5.604 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.303 2.529 -5.878 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -8.715 3.193 -7.603 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -8.510 1.844 -6.503 1.00 0.00 H new ATOM 0 HG LEU A 37 -8.740 4.790 -5.733 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.804 4.019 -4.591 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.871 3.675 -6.335 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.513 2.366 -5.184 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.615 3.980 -3.390 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.319 2.327 -3.977 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.118 3.605 -4.277 1.00 0.00 H new ATOM 587 N ARG A 38 -5.131 3.218 -8.470 1.00 0.00 N ATOM 588 CA ARG A 38 -4.526 2.811 -9.775 1.00 0.00 C ATOM 589 C ARG A 38 -3.509 1.691 -9.538 1.00 0.00 C ATOM 590 O ARG A 38 -2.926 1.161 -10.463 1.00 0.00 O ATOM 591 CB ARG A 38 -3.823 4.022 -10.400 1.00 0.00 C ATOM 592 CG ARG A 38 -3.592 3.776 -11.894 1.00 0.00 C ATOM 593 CD ARG A 38 -2.913 5.000 -12.510 1.00 0.00 C ATOM 594 NE ARG A 38 -2.987 4.915 -13.995 1.00 0.00 N ATOM 595 CZ ARG A 38 -2.264 4.037 -14.636 1.00 0.00 C ATOM 596 NH1 ARG A 38 -1.477 3.233 -13.974 1.00 0.00 N ATOM 597 NH2 ARG A 38 -2.328 3.963 -15.937 1.00 0.00 N ATOM 0 H ARG A 38 -4.645 3.973 -7.986 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.305 2.452 -10.448 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.428 4.918 -10.259 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.871 4.199 -9.900 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.971 2.891 -12.037 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.541 3.583 -12.393 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.399 5.912 -12.163 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.872 5.052 -12.190 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.603 5.543 -14.512 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.427 3.291 -12.957 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.912 2.547 -14.474 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.943 4.591 -16.454 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.763 3.277 -16.437 1.00 0.00 H new ATOM 611 N LEU A 39 -3.291 1.325 -8.307 1.00 0.00 N ATOM 612 CA LEU A 39 -2.314 0.242 -8.012 1.00 0.00 C ATOM 613 C LEU A 39 -2.827 -1.075 -8.599 1.00 0.00 C ATOM 614 O LEU A 39 -3.982 -1.197 -8.957 1.00 0.00 O ATOM 615 CB LEU A 39 -2.149 0.101 -6.494 1.00 0.00 C ATOM 616 CG LEU A 39 -1.238 1.214 -5.966 1.00 0.00 C ATOM 617 CD1 LEU A 39 -1.775 2.577 -6.411 1.00 0.00 C ATOM 618 CD2 LEU A 39 -1.198 1.155 -4.438 1.00 0.00 C ATOM 0 H LEU A 39 -3.748 1.730 -7.490 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.350 0.487 -8.457 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.123 0.153 -6.007 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.724 -0.874 -6.254 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.232 1.077 -6.364 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.124 3.365 -6.033 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.802 2.619 -7.500 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.782 2.718 -6.017 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.550 1.946 -4.060 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.205 1.290 -4.042 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.811 0.187 -4.121 1.00 0.00 H new ATOM 630 N ARG A 40 -1.978 -2.060 -8.701 1.00 0.00 N ATOM 631 CA ARG A 40 -2.421 -3.367 -9.265 1.00 0.00 C ATOM 632 C ARG A 40 -1.462 -4.469 -8.811 1.00 0.00 C ATOM 633 O ARG A 40 -0.437 -4.208 -8.216 1.00 0.00 O ATOM 634 CB ARG A 40 -2.422 -3.288 -10.794 1.00 0.00 C ATOM 635 CG ARG A 40 -1.106 -2.673 -11.276 1.00 0.00 C ATOM 636 CD ARG A 40 -1.097 -2.619 -12.804 1.00 0.00 C ATOM 637 NE ARG A 40 0.194 -2.041 -13.273 1.00 0.00 N ATOM 638 CZ ARG A 40 0.478 -2.030 -14.546 1.00 0.00 C ATOM 639 NH1 ARG A 40 -0.367 -2.526 -15.408 1.00 0.00 N ATOM 640 NH2 ARG A 40 1.609 -1.523 -14.958 1.00 0.00 N ATOM 0 H ARG A 40 -0.999 -2.017 -8.419 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.427 -3.594 -8.912 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.548 -4.284 -11.220 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.264 -2.686 -11.137 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.989 -1.670 -10.866 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.263 -3.264 -10.918 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.230 -3.620 -13.215 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.930 -2.014 -13.162 1.00 0.00 H new ATOM 0 HE ARG A 40 0.855 -1.654 -12.599 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.250 -2.922 -15.086 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.144 -2.517 -16.403 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.270 -1.136 -14.284 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.831 -1.514 -15.953 1.00 0.00 H new ATOM 654 N GLU A 41 -1.790 -5.702 -9.085 1.00 0.00 N ATOM 655 CA GLU A 41 -0.899 -6.821 -8.668 1.00 0.00 C ATOM 656 C GLU A 41 0.437 -6.721 -9.407 1.00 0.00 C ATOM 657 O GLU A 41 0.482 -6.549 -10.608 1.00 0.00 O ATOM 658 CB GLU A 41 -1.569 -8.155 -9.005 1.00 0.00 C ATOM 659 CG GLU A 41 -2.885 -8.276 -8.235 1.00 0.00 C ATOM 660 CD GLU A 41 -3.504 -9.651 -8.493 1.00 0.00 C ATOM 661 OE1 GLU A 41 -4.105 -9.821 -9.540 1.00 0.00 O ATOM 662 OE2 GLU A 41 -3.366 -10.510 -7.637 1.00 0.00 O ATOM 0 H GLU A 41 -2.637 -5.983 -9.580 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.721 -6.761 -7.594 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.756 -8.219 -10.077 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.907 -8.982 -8.747 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.708 -8.140 -7.168 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.574 -7.491 -8.547 1.00 0.00 H new ATOM 669 N GLY A 42 1.530 -6.835 -8.697 1.00 0.00 N ATOM 670 CA GLY A 42 2.869 -6.753 -9.355 1.00 0.00 C ATOM 671 C GLY A 42 3.342 -5.298 -9.401 1.00 0.00 C ATOM 672 O GLY A 42 4.286 -4.967 -10.088 1.00 0.00 O ATOM 0 H GLY A 42 1.553 -6.982 -7.688 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.590 -7.361 -8.808 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.812 -7.158 -10.366 1.00 0.00 H new ATOM 676 N ASP A 43 2.698 -4.426 -8.675 1.00 0.00 N ATOM 677 CA ASP A 43 3.121 -2.996 -8.684 1.00 0.00 C ATOM 678 C ASP A 43 4.518 -2.871 -8.072 1.00 0.00 C ATOM 679 O ASP A 43 4.798 -3.419 -7.022 1.00 0.00 O ATOM 680 CB ASP A 43 2.131 -2.160 -7.868 1.00 0.00 C ATOM 681 CG ASP A 43 2.329 -0.677 -8.186 1.00 0.00 C ATOM 682 OD1 ASP A 43 3.392 -0.334 -8.677 1.00 0.00 O ATOM 683 OD2 ASP A 43 1.416 0.091 -7.932 1.00 0.00 O ATOM 0 H ASP A 43 1.900 -4.640 -8.078 1.00 0.00 H new ATOM 0 HA ASP A 43 3.140 -2.633 -9.712 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.109 -2.459 -8.100 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.281 -2.337 -6.803 1.00 0.00 H new ATOM 688 N LYS A 44 5.397 -2.150 -8.721 1.00 0.00 N ATOM 689 CA LYS A 44 6.781 -1.977 -8.188 1.00 0.00 C ATOM 690 C LYS A 44 6.839 -0.713 -7.326 1.00 0.00 C ATOM 691 O LYS A 44 6.742 0.393 -7.822 1.00 0.00 O ATOM 692 CB LYS A 44 7.761 -1.840 -9.354 1.00 0.00 C ATOM 693 CG LYS A 44 7.650 -3.065 -10.263 1.00 0.00 C ATOM 694 CD LYS A 44 8.691 -2.969 -11.380 1.00 0.00 C ATOM 695 CE LYS A 44 8.538 -4.163 -12.325 1.00 0.00 C ATOM 696 NZ LYS A 44 9.659 -4.165 -13.306 1.00 0.00 N ATOM 0 H LYS A 44 5.213 -1.671 -9.603 1.00 0.00 H new ATOM 0 HA LYS A 44 7.050 -2.844 -7.585 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.545 -0.934 -9.920 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.779 -1.745 -8.977 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.805 -3.976 -9.684 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.649 -3.125 -10.689 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.564 -2.037 -11.931 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.695 -2.954 -10.956 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.536 -5.093 -11.756 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.583 -4.107 -12.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.556 -4.976 -13.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.640 -3.283 -13.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.564 -4.238 -12.799 1.00 0.00 H new ATOM 710 N LEU A 45 6.994 -0.875 -6.035 1.00 0.00 N ATOM 711 CA LEU A 45 7.058 0.305 -5.115 1.00 0.00 C ATOM 712 C LEU A 45 8.506 0.543 -4.679 1.00 0.00 C ATOM 713 O LEU A 45 9.249 -0.386 -4.435 1.00 0.00 O ATOM 714 CB LEU A 45 6.204 0.026 -3.875 1.00 0.00 C ATOM 715 CG LEU A 45 4.860 -0.573 -4.295 1.00 0.00 C ATOM 716 CD1 LEU A 45 3.999 -0.807 -3.051 1.00 0.00 C ATOM 717 CD2 LEU A 45 4.139 0.393 -5.241 1.00 0.00 C ATOM 0 H LEU A 45 7.080 -1.781 -5.575 1.00 0.00 H new ATOM 0 HA LEU A 45 6.684 1.187 -5.635 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.727 -0.661 -3.209 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.043 0.949 -3.318 1.00 0.00 H new ATOM 0 HG LEU A 45 5.029 -1.520 -4.807 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.041 -1.234 -3.347 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.511 -1.496 -2.379 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.832 0.141 -2.541 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.182 -0.036 -5.539 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.969 1.342 -4.732 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.752 0.561 -6.126 1.00 0.00 H new ATOM 729 N THR A 46 8.905 1.788 -4.571 1.00 0.00 N ATOM 730 CA THR A 46 10.303 2.116 -4.139 1.00 0.00 C ATOM 731 C THR A 46 10.238 3.151 -3.006 1.00 0.00 C ATOM 732 O THR A 46 9.311 3.933 -2.937 1.00 0.00 O ATOM 733 CB THR A 46 11.075 2.708 -5.325 1.00 0.00 C ATOM 734 OG1 THR A 46 12.106 3.558 -4.843 1.00 0.00 O ATOM 735 CG2 THR A 46 10.122 3.518 -6.207 1.00 0.00 C ATOM 0 H THR A 46 8.317 2.599 -4.765 1.00 0.00 H new ATOM 0 HA THR A 46 10.808 1.215 -3.792 1.00 0.00 H new ATOM 0 HB THR A 46 11.512 1.899 -5.910 1.00 0.00 H new ATOM 0 HG1 THR A 46 12.600 3.935 -5.601 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.673 3.937 -7.049 1.00 0.00 H new ATOM 0 HG22 THR A 46 9.330 2.868 -6.579 1.00 0.00 H new ATOM 0 HG23 THR A 46 9.683 4.326 -5.622 1.00 0.00 H new ATOM 743 N PRO A 47 11.207 3.163 -2.119 1.00 0.00 N ATOM 744 CA PRO A 47 11.232 4.128 -0.979 1.00 0.00 C ATOM 745 C PRO A 47 11.512 5.561 -1.449 1.00 0.00 C ATOM 746 O PRO A 47 12.519 5.836 -2.073 1.00 0.00 O ATOM 747 CB PRO A 47 12.370 3.608 -0.087 1.00 0.00 C ATOM 748 CG PRO A 47 13.282 2.877 -1.021 1.00 0.00 C ATOM 749 CD PRO A 47 12.381 2.267 -2.097 1.00 0.00 C ATOM 0 HA PRO A 47 10.274 4.181 -0.462 1.00 0.00 H new ATOM 0 HB2 PRO A 47 12.888 4.427 0.412 1.00 0.00 H new ATOM 0 HB3 PRO A 47 11.991 2.948 0.694 1.00 0.00 H new ATOM 0 HG2 PRO A 47 14.013 3.554 -1.462 1.00 0.00 H new ATOM 0 HG3 PRO A 47 13.841 2.103 -0.495 1.00 0.00 H new ATOM 0 HD2 PRO A 47 12.879 2.236 -3.066 1.00 0.00 H new ATOM 0 HD3 PRO A 47 12.099 1.243 -1.850 1.00 0.00 H new ATOM 757 N LEU A 48 10.627 6.475 -1.155 1.00 0.00 N ATOM 758 CA LEU A 48 10.844 7.886 -1.586 1.00 0.00 C ATOM 759 C LEU A 48 11.870 8.544 -0.661 1.00 0.00 C ATOM 760 O LEU A 48 12.888 9.040 -1.104 1.00 0.00 O ATOM 761 CB LEU A 48 9.514 8.649 -1.521 1.00 0.00 C ATOM 762 CG LEU A 48 9.748 10.155 -1.728 1.00 0.00 C ATOM 763 CD1 LEU A 48 10.606 10.388 -2.977 1.00 0.00 C ATOM 764 CD2 LEU A 48 8.396 10.857 -1.901 1.00 0.00 C ATOM 0 H LEU A 48 9.765 6.306 -0.636 1.00 0.00 H new ATOM 0 HA LEU A 48 11.218 7.907 -2.610 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.834 8.272 -2.285 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.036 8.478 -0.556 1.00 0.00 H new ATOM 0 HG LEU A 48 10.268 10.560 -0.859 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.766 11.457 -3.114 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.568 9.890 -2.856 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.095 9.982 -3.850 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.557 11.925 -2.048 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.880 10.445 -2.768 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.788 10.701 -1.010 1.00 0.00 H new ATOM 776 N ALA A 49 11.615 8.556 0.619 1.00 0.00 N ATOM 777 CA ALA A 49 12.582 9.186 1.561 1.00 0.00 C ATOM 778 C ALA A 49 12.131 8.958 3.006 1.00 0.00 C ATOM 779 O ALA A 49 12.694 8.152 3.720 1.00 0.00 O ATOM 780 CB ALA A 49 12.654 10.689 1.282 1.00 0.00 C ATOM 0 H ALA A 49 10.781 8.158 1.052 1.00 0.00 H new ATOM 0 HA ALA A 49 13.565 8.736 1.419 1.00 0.00 H new ATOM 0 HB1 ALA A 49 13.361 11.153 1.970 1.00 0.00 H new ATOM 0 HB2 ALA A 49 12.984 10.853 0.256 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.668 11.132 1.421 1.00 0.00 H new ATOM 786 N ASP A 50 11.130 9.669 3.448 1.00 0.00 N ATOM 787 CA ASP A 50 10.657 9.497 4.852 1.00 0.00 C ATOM 788 C ASP A 50 9.914 8.167 4.997 1.00 0.00 C ATOM 789 O ASP A 50 10.149 7.416 5.922 1.00 0.00 O ATOM 790 CB ASP A 50 9.714 10.647 5.214 1.00 0.00 C ATOM 791 CG ASP A 50 8.633 10.778 4.140 1.00 0.00 C ATOM 792 OD1 ASP A 50 8.985 11.030 2.999 1.00 0.00 O ATOM 793 OD2 ASP A 50 7.470 10.624 4.475 1.00 0.00 O ATOM 0 H ASP A 50 10.620 10.361 2.899 1.00 0.00 H new ATOM 0 HA ASP A 50 11.517 9.500 5.521 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.256 10.463 6.186 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.274 11.578 5.297 1.00 0.00 H new ATOM 798 N ALA A 51 9.019 7.869 4.094 1.00 0.00 N ATOM 799 CA ALA A 51 8.264 6.585 4.188 1.00 0.00 C ATOM 800 C ALA A 51 7.320 6.458 2.991 1.00 0.00 C ATOM 801 O ALA A 51 7.001 5.370 2.553 1.00 0.00 O ATOM 802 CB ALA A 51 7.448 6.564 5.485 1.00 0.00 C ATOM 0 H ALA A 51 8.778 8.457 3.297 1.00 0.00 H new ATOM 0 HA ALA A 51 8.967 5.752 4.187 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.897 5.626 5.553 1.00 0.00 H new ATOM 0 HB2 ALA A 51 8.120 6.653 6.339 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.746 7.398 5.487 1.00 0.00 H new ATOM 808 N ARG A 52 6.864 7.559 2.457 1.00 0.00 N ATOM 809 CA ARG A 52 5.938 7.494 1.292 1.00 0.00 C ATOM 810 C ARG A 52 6.506 6.542 0.241 1.00 0.00 C ATOM 811 O ARG A 52 7.702 6.467 0.041 1.00 0.00 O ATOM 812 CB ARG A 52 5.780 8.887 0.681 1.00 0.00 C ATOM 813 CG ARG A 52 5.302 9.869 1.754 1.00 0.00 C ATOM 814 CD ARG A 52 3.896 9.490 2.234 1.00 0.00 C ATOM 815 NE ARG A 52 3.232 10.692 2.814 1.00 0.00 N ATOM 816 CZ ARG A 52 3.641 11.177 3.953 1.00 0.00 C ATOM 817 NH1 ARG A 52 4.631 10.610 4.587 1.00 0.00 N ATOM 818 NH2 ARG A 52 3.061 12.230 4.461 1.00 0.00 N ATOM 0 H ARG A 52 7.093 8.500 2.778 1.00 0.00 H new ATOM 0 HA ARG A 52 4.966 7.132 1.626 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.730 9.222 0.265 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.065 8.855 -0.141 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.995 9.864 2.596 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.296 10.882 1.352 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.308 9.101 1.403 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.955 8.698 2.980 1.00 0.00 H new ATOM 0 HE ARG A 52 2.458 11.135 2.320 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.085 9.787 4.191 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.950 10.990 5.478 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.287 12.674 3.967 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.382 12.609 5.352 1.00 0.00 H new ATOM 832 N TYR A 53 5.651 5.814 -0.428 1.00 0.00 N ATOM 833 CA TYR A 53 6.118 4.850 -1.474 1.00 0.00 C ATOM 834 C TYR A 53 5.763 5.390 -2.860 1.00 0.00 C ATOM 835 O TYR A 53 4.655 5.827 -3.098 1.00 0.00 O ATOM 836 CB TYR A 53 5.421 3.505 -1.263 1.00 0.00 C ATOM 837 CG TYR A 53 6.017 2.809 -0.063 1.00 0.00 C ATOM 838 CD1 TYR A 53 5.574 3.132 1.226 1.00 0.00 C ATOM 839 CD2 TYR A 53 7.014 1.841 -0.239 1.00 0.00 C ATOM 840 CE1 TYR A 53 6.128 2.488 2.338 1.00 0.00 C ATOM 841 CE2 TYR A 53 7.567 1.196 0.874 1.00 0.00 C ATOM 842 CZ TYR A 53 7.124 1.519 2.163 1.00 0.00 C ATOM 843 OH TYR A 53 7.669 0.884 3.259 1.00 0.00 O ATOM 0 H TYR A 53 4.640 5.845 -0.295 1.00 0.00 H new ATOM 0 HA TYR A 53 7.198 4.723 -1.399 1.00 0.00 H new ATOM 0 HB2 TYR A 53 4.352 3.657 -1.114 1.00 0.00 H new ATOM 0 HB3 TYR A 53 5.534 2.882 -2.150 1.00 0.00 H new ATOM 0 HD1 TYR A 53 4.805 3.878 1.362 1.00 0.00 H new ATOM 0 HD2 TYR A 53 7.356 1.592 -1.233 1.00 0.00 H new ATOM 0 HE1 TYR A 53 5.787 2.738 3.332 1.00 0.00 H new ATOM 0 HE2 TYR A 53 8.335 0.449 0.739 1.00 0.00 H new ATOM 0 HH TYR A 53 8.345 0.240 2.961 1.00 0.00 H new ATOM 853 N CYS A 54 6.699 5.359 -3.778 1.00 0.00 N ATOM 854 CA CYS A 54 6.434 5.863 -5.164 1.00 0.00 C ATOM 855 C CYS A 54 6.407 4.679 -6.130 1.00 0.00 C ATOM 856 O CYS A 54 7.360 3.934 -6.240 1.00 0.00 O ATOM 857 CB CYS A 54 7.547 6.829 -5.574 1.00 0.00 C ATOM 858 SG CYS A 54 7.207 7.472 -7.230 1.00 0.00 S ATOM 0 H CYS A 54 7.643 5.003 -3.626 1.00 0.00 H new ATOM 0 HA CYS A 54 5.476 6.381 -5.191 1.00 0.00 H new ATOM 0 HB2 CYS A 54 7.612 7.650 -4.860 1.00 0.00 H new ATOM 0 HB3 CYS A 54 8.510 6.318 -5.561 1.00 0.00 H new ATOM 0 HG CYS A 54 8.151 8.295 -7.578 1.00 0.00 H new ATOM 864 N LEU A 55 5.321 4.494 -6.832 1.00 0.00 N ATOM 865 CA LEU A 55 5.232 3.350 -7.790 1.00 0.00 C ATOM 866 C LEU A 55 5.654 3.817 -9.183 1.00 0.00 C ATOM 867 O LEU A 55 5.433 4.950 -9.560 1.00 0.00 O ATOM 868 CB LEU A 55 3.787 2.825 -7.830 1.00 0.00 C ATOM 869 CG LEU A 55 2.793 3.972 -8.171 1.00 0.00 C ATOM 870 CD1 LEU A 55 2.436 3.950 -9.664 1.00 0.00 C ATOM 871 CD2 LEU A 55 1.503 3.806 -7.352 1.00 0.00 C ATOM 0 H LEU A 55 4.491 5.085 -6.785 1.00 0.00 H new ATOM 0 HA LEU A 55 5.895 2.549 -7.464 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.704 2.032 -8.573 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.527 2.387 -6.866 1.00 0.00 H new ATOM 0 HG LEU A 55 3.271 4.921 -7.928 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.740 4.759 -9.884 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.342 4.080 -10.257 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.973 2.995 -9.913 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.811 4.612 -7.595 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.042 2.848 -7.590 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.740 3.840 -6.289 1.00 0.00 H new ATOM 883 N ASN A 56 6.265 2.952 -9.945 1.00 0.00 N ATOM 884 CA ASN A 56 6.707 3.340 -11.317 1.00 0.00 C ATOM 885 C ASN A 56 7.686 4.514 -11.229 1.00 0.00 C ATOM 886 O ASN A 56 8.009 5.141 -12.218 1.00 0.00 O ATOM 887 CB ASN A 56 5.490 3.743 -12.156 1.00 0.00 C ATOM 888 CG ASN A 56 5.869 3.747 -13.641 1.00 0.00 C ATOM 889 OD1 ASN A 56 6.954 3.337 -14.003 1.00 0.00 O ATOM 890 ND2 ASN A 56 5.014 4.194 -14.518 1.00 0.00 N ATOM 0 H ASN A 56 6.478 1.991 -9.677 1.00 0.00 H new ATOM 0 HA ASN A 56 7.204 2.492 -11.789 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.669 3.048 -11.982 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.140 4.731 -11.857 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.256 4.200 -15.509 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.103 4.538 -14.213 1.00 0.00 H new ATOM 897 N ASN A 57 8.166 4.809 -10.052 1.00 0.00 N ATOM 898 CA ASN A 57 9.134 5.933 -9.891 1.00 0.00 C ATOM 899 C ASN A 57 8.496 7.254 -10.338 1.00 0.00 C ATOM 900 O ASN A 57 9.126 8.064 -10.988 1.00 0.00 O ATOM 901 CB ASN A 57 10.385 5.655 -10.733 1.00 0.00 C ATOM 902 CG ASN A 57 10.761 4.177 -10.613 1.00 0.00 C ATOM 903 OD1 ASN A 57 10.305 3.479 -9.610 1.00 0.00 O flip ATOM 904 ND2 ASN A 57 11.480 3.653 -11.440 1.00 0.00 N flip ATOM 0 H ASN A 57 7.929 4.318 -9.190 1.00 0.00 H new ATOM 0 HA ASN A 57 9.410 6.014 -8.840 1.00 0.00 H new ATOM 0 HB2 ASN A 57 10.199 5.911 -11.776 1.00 0.00 H new ATOM 0 HB3 ASN A 57 11.211 6.280 -10.394 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.837 4.199 -12.225 1.00 0.00 H new ATOM 0 HD22 ASN A 57 11.727 2.667 -11.350 1.00 0.00 H new ATOM 911 N ASN A 58 7.253 7.478 -9.987 1.00 0.00 N ATOM 912 CA ASN A 58 6.558 8.747 -10.374 1.00 0.00 C ATOM 913 C ASN A 58 5.975 9.400 -9.107 1.00 0.00 C ATOM 914 O ASN A 58 4.865 9.099 -8.715 1.00 0.00 O ATOM 915 CB ASN A 58 5.418 8.419 -11.343 1.00 0.00 C ATOM 916 CG ASN A 58 5.923 7.459 -12.423 1.00 0.00 C ATOM 917 OD1 ASN A 58 5.144 6.766 -13.047 1.00 0.00 O ATOM 918 ND2 ASN A 58 7.201 7.393 -12.675 1.00 0.00 N ATOM 0 H ASN A 58 6.684 6.829 -9.443 1.00 0.00 H new ATOM 0 HA ASN A 58 7.262 9.428 -10.853 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.586 7.969 -10.802 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.043 9.334 -11.802 1.00 0.00 H new ATOM 0 HD21 ASN A 58 7.547 6.760 -13.396 1.00 0.00 H new ATOM 0 HD22 ASN A 58 7.855 7.975 -12.151 1.00 0.00 H new ATOM 925 N PRO A 59 6.715 10.274 -8.458 1.00 0.00 N ATOM 926 CA PRO A 59 6.250 10.952 -7.207 1.00 0.00 C ATOM 927 C PRO A 59 4.808 11.466 -7.307 1.00 0.00 C ATOM 928 O PRO A 59 4.223 11.892 -6.332 1.00 0.00 O ATOM 929 CB PRO A 59 7.238 12.111 -7.046 1.00 0.00 C ATOM 930 CG PRO A 59 8.502 11.610 -7.662 1.00 0.00 C ATOM 931 CD PRO A 59 8.074 10.718 -8.832 1.00 0.00 C ATOM 0 HA PRO A 59 6.233 10.270 -6.357 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.881 13.010 -7.548 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.382 12.367 -5.996 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.122 12.437 -8.008 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.093 11.049 -6.939 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.070 11.267 -9.773 1.00 0.00 H new ATOM 0 HD3 PRO A 59 8.750 9.873 -8.959 1.00 0.00 H new ATOM 939 N THR A 60 4.229 11.419 -8.474 1.00 0.00 N ATOM 940 CA THR A 60 2.825 11.895 -8.629 1.00 0.00 C ATOM 941 C THR A 60 1.871 10.810 -8.124 1.00 0.00 C ATOM 942 O THR A 60 0.818 11.091 -7.587 1.00 0.00 O ATOM 943 CB THR A 60 2.544 12.172 -10.112 1.00 0.00 C ATOM 944 OG1 THR A 60 1.160 11.989 -10.371 1.00 0.00 O ATOM 945 CG2 THR A 60 3.359 11.206 -10.979 1.00 0.00 C ATOM 0 H THR A 60 4.667 11.072 -9.327 1.00 0.00 H new ATOM 0 HA THR A 60 2.679 12.810 -8.055 1.00 0.00 H new ATOM 0 HB THR A 60 2.828 13.197 -10.350 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.978 12.167 -11.317 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.158 11.404 -12.032 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.421 11.346 -10.780 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.078 10.180 -10.743 1.00 0.00 H new ATOM 953 N GLN A 61 2.244 9.567 -8.293 1.00 0.00 N ATOM 954 CA GLN A 61 1.390 8.428 -7.831 1.00 0.00 C ATOM 955 C GLN A 61 2.017 7.814 -6.582 1.00 0.00 C ATOM 956 O GLN A 61 2.472 6.688 -6.599 1.00 0.00 O ATOM 957 CB GLN A 61 1.304 7.362 -8.926 1.00 0.00 C ATOM 958 CG GLN A 61 0.845 8.001 -10.237 1.00 0.00 C ATOM 959 CD GLN A 61 -0.608 8.461 -10.101 1.00 0.00 C ATOM 960 OE1 GLN A 61 -0.860 9.678 -9.706 1.00 0.00 O flip ATOM 961 NE2 GLN A 61 -1.523 7.703 -10.356 1.00 0.00 N flip ATOM 0 H GLN A 61 3.118 9.288 -8.739 1.00 0.00 H new ATOM 0 HA GLN A 61 0.388 8.794 -7.608 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.276 6.889 -9.063 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.607 6.578 -8.629 1.00 0.00 H new ATOM 0 HG2 GLN A 61 1.484 8.849 -10.484 1.00 0.00 H new ATOM 0 HG3 GLN A 61 0.936 7.285 -11.054 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.326 6.751 -10.665 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -2.488 8.019 -10.261 1.00 0.00 H new ATOM 970 N THR A 62 2.073 8.547 -5.500 1.00 0.00 N ATOM 971 CA THR A 62 2.707 7.999 -4.262 1.00 0.00 C ATOM 972 C THR A 62 1.636 7.381 -3.367 1.00 0.00 C ATOM 973 O THR A 62 0.475 7.324 -3.717 1.00 0.00 O ATOM 974 CB THR A 62 3.405 9.132 -3.507 1.00 0.00 C ATOM 975 OG1 THR A 62 2.489 10.197 -3.303 1.00 0.00 O ATOM 976 CG2 THR A 62 4.599 9.631 -4.323 1.00 0.00 C ATOM 0 H THR A 62 1.709 9.497 -5.419 1.00 0.00 H new ATOM 0 HA THR A 62 3.435 7.235 -4.536 1.00 0.00 H new ATOM 0 HB THR A 62 3.756 8.765 -2.542 1.00 0.00 H new ATOM 0 HG1 THR A 62 2.934 10.923 -2.818 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.096 10.438 -3.785 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.301 8.812 -4.478 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.252 9.999 -5.288 1.00 0.00 H new ATOM 984 N LEU A 63 2.031 6.876 -2.225 1.00 0.00 N ATOM 985 CA LEU A 63 1.051 6.211 -1.315 1.00 0.00 C ATOM 986 C LEU A 63 1.376 6.559 0.145 1.00 0.00 C ATOM 987 O LEU A 63 2.519 6.773 0.501 1.00 0.00 O ATOM 988 CB LEU A 63 1.169 4.690 -1.541 1.00 0.00 C ATOM 989 CG LEU A 63 -0.180 3.984 -1.338 1.00 0.00 C ATOM 990 CD1 LEU A 63 -1.200 4.429 -2.413 1.00 0.00 C ATOM 991 CD2 LEU A 63 0.046 2.466 -1.429 1.00 0.00 C ATOM 0 H LEU A 63 2.992 6.896 -1.884 1.00 0.00 H new ATOM 0 HA LEU A 63 0.036 6.549 -1.524 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.533 4.498 -2.550 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.905 4.275 -0.853 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.584 4.249 -0.361 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.148 3.916 -2.250 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.354 5.506 -2.345 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.818 4.179 -3.403 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.902 1.948 -1.287 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.453 2.217 -2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.748 2.156 -0.655 1.00 0.00 H new ATOM 1003 N LYS A 64 0.373 6.611 0.992 1.00 0.00 N ATOM 1004 CA LYS A 64 0.601 6.938 2.437 1.00 0.00 C ATOM 1005 C LYS A 64 0.287 5.706 3.289 1.00 0.00 C ATOM 1006 O LYS A 64 -0.710 5.040 3.088 1.00 0.00 O ATOM 1007 CB LYS A 64 -0.329 8.081 2.850 1.00 0.00 C ATOM 1008 CG LYS A 64 0.116 9.379 2.173 1.00 0.00 C ATOM 1009 CD LYS A 64 -0.621 10.562 2.803 1.00 0.00 C ATOM 1010 CE LYS A 64 -0.449 11.801 1.923 1.00 0.00 C ATOM 1011 NZ LYS A 64 0.994 12.165 1.854 1.00 0.00 N ATOM 0 H LYS A 64 -0.601 6.439 0.741 1.00 0.00 H new ATOM 0 HA LYS A 64 1.639 7.235 2.585 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.356 7.847 2.569 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.314 8.201 3.933 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.193 9.508 2.282 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.093 9.334 1.104 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.679 10.327 2.914 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.231 10.756 3.802 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.834 11.606 0.922 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.026 12.632 2.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.094 13.199 1.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.499 11.734 2.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.398 11.816 0.961 1.00 0.00 H new ATOM 1025 N ILE A 65 1.128 5.397 4.241 1.00 0.00 N ATOM 1026 CA ILE A 65 0.874 4.206 5.110 1.00 0.00 C ATOM 1027 C ILE A 65 0.112 4.639 6.361 1.00 0.00 C ATOM 1028 O ILE A 65 0.416 5.647 6.968 1.00 0.00 O ATOM 1029 CB ILE A 65 2.204 3.569 5.531 1.00 0.00 C ATOM 1030 CG1 ILE A 65 3.157 4.650 6.048 1.00 0.00 C ATOM 1031 CG2 ILE A 65 2.840 2.863 4.335 1.00 0.00 C ATOM 1032 CD1 ILE A 65 4.465 4.001 6.504 1.00 0.00 C ATOM 0 H ILE A 65 1.979 5.916 4.456 1.00 0.00 H new ATOM 0 HA ILE A 65 0.286 3.480 4.549 1.00 0.00 H new ATOM 0 HB ILE A 65 2.015 2.844 6.323 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.355 5.381 5.264 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.698 5.189 6.877 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.785 2.412 4.639 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.167 2.086 3.971 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.022 3.586 3.540 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.144 4.770 6.872 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.258 3.287 7.302 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.926 3.482 5.664 1.00 0.00 H new ATOM 1044 N ARG A 66 -0.875 3.877 6.755 1.00 0.00 N ATOM 1045 CA ARG A 66 -1.666 4.220 7.977 1.00 0.00 C ATOM 1046 C ARG A 66 -1.253 3.279 9.108 1.00 0.00 C ATOM 1047 O ARG A 66 -1.248 3.645 10.266 1.00 0.00 O ATOM 1048 CB ARG A 66 -3.157 4.041 7.683 1.00 0.00 C ATOM 1049 CG ARG A 66 -3.973 4.447 8.912 1.00 0.00 C ATOM 1050 CD ARG A 66 -5.449 4.563 8.531 1.00 0.00 C ATOM 1051 NE ARG A 66 -6.219 5.109 9.684 1.00 0.00 N ATOM 1052 CZ ARG A 66 -6.559 4.326 10.671 1.00 0.00 C ATOM 1053 NH1 ARG A 66 -6.224 3.066 10.650 1.00 0.00 N ATOM 1054 NH2 ARG A 66 -7.235 4.805 11.681 1.00 0.00 N ATOM 0 H ARG A 66 -1.170 3.024 6.279 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.478 5.254 8.266 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.445 4.649 6.825 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.365 3.003 7.422 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.848 3.709 9.704 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.612 5.398 9.303 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.562 5.214 7.664 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.841 3.586 8.249 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.480 6.095 9.702 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -5.696 2.692 9.862 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.490 2.455 11.422 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.497 5.791 11.698 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.501 4.193 12.453 1.00 0.00 H new ATOM 1068 N ASN A 67 -0.902 2.065 8.772 1.00 0.00 N ATOM 1069 CA ASN A 67 -0.481 1.083 9.813 1.00 0.00 C ATOM 1070 C ASN A 67 -0.035 -0.215 9.131 1.00 0.00 C ATOM 1071 O ASN A 67 -0.849 -0.997 8.680 1.00 0.00 O ATOM 1072 CB ASN A 67 -1.660 0.784 10.747 1.00 0.00 C ATOM 1073 CG ASN A 67 -1.275 -0.337 11.716 1.00 0.00 C ATOM 1074 OD1 ASN A 67 -0.749 -0.083 12.781 1.00 0.00 O ATOM 1075 ND2 ASN A 67 -1.516 -1.578 11.388 1.00 0.00 N ATOM 0 H ASN A 67 -0.889 1.710 7.816 1.00 0.00 H new ATOM 0 HA ASN A 67 0.343 1.499 10.392 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.934 1.681 11.303 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -2.533 0.491 10.164 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -1.263 -2.333 12.026 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -1.958 -1.793 10.494 1.00 0.00 H new ATOM 1082 N ALA A 68 1.248 -0.450 9.052 1.00 0.00 N ATOM 1083 CA ALA A 68 1.738 -1.699 8.401 1.00 0.00 C ATOM 1084 C ALA A 68 1.609 -2.873 9.376 1.00 0.00 C ATOM 1085 O ALA A 68 1.601 -2.697 10.577 1.00 0.00 O ATOM 1086 CB ALA A 68 3.204 -1.534 8.002 1.00 0.00 C ATOM 0 H ALA A 68 1.976 0.168 9.410 1.00 0.00 H new ATOM 0 HA ALA A 68 1.139 -1.895 7.511 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.557 -2.449 7.527 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.300 -0.703 7.304 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.802 -1.332 8.890 1.00 0.00 H new ATOM 1092 N THR A 69 1.514 -4.073 8.862 1.00 0.00 N ATOM 1093 CA THR A 69 1.392 -5.272 9.747 1.00 0.00 C ATOM 1094 C THR A 69 2.195 -6.424 9.143 1.00 0.00 C ATOM 1095 O THR A 69 2.200 -6.628 7.946 1.00 0.00 O ATOM 1096 CB THR A 69 -0.080 -5.679 9.856 1.00 0.00 C ATOM 1097 OG1 THR A 69 -0.865 -4.537 10.167 1.00 0.00 O ATOM 1098 CG2 THR A 69 -0.243 -6.728 10.960 1.00 0.00 C ATOM 0 H THR A 69 1.516 -4.275 7.862 1.00 0.00 H new ATOM 0 HA THR A 69 1.776 -5.036 10.739 1.00 0.00 H new ATOM 0 HB THR A 69 -0.410 -6.100 8.906 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.524 -4.389 9.456 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.291 -7.016 11.036 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.358 -7.605 10.720 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.088 -6.310 11.911 1.00 0.00 H new ATOM 1106 N HIS A 70 2.878 -7.177 9.960 1.00 0.00 N ATOM 1107 CA HIS A 70 3.685 -8.312 9.430 1.00 0.00 C ATOM 1108 C HIS A 70 2.756 -9.442 8.981 1.00 0.00 C ATOM 1109 O HIS A 70 2.947 -10.590 9.332 1.00 0.00 O ATOM 1110 CB HIS A 70 4.621 -8.827 10.526 1.00 0.00 C ATOM 1111 CG HIS A 70 5.416 -7.679 11.086 1.00 0.00 C ATOM 1112 ND1 HIS A 70 5.221 -6.369 10.667 1.00 0.00 N ATOM 1113 CD2 HIS A 70 6.412 -7.628 12.030 1.00 0.00 C ATOM 1114 CE1 HIS A 70 6.079 -5.593 11.354 1.00 0.00 C ATOM 1115 NE2 HIS A 70 6.826 -6.310 12.195 1.00 0.00 N ATOM 0 H HIS A 70 2.912 -7.056 10.972 1.00 0.00 H new ATOM 0 HA HIS A 70 4.273 -7.969 8.578 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.044 -9.304 11.318 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.292 -9.584 10.120 1.00 0.00 H new ATOM 0 HD2 HIS A 70 6.812 -8.479 12.562 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.154 -4.522 11.239 1.00 0.00 H new ATOM 0 HE2 HIS A 70 7.549 -5.965 12.826 1.00 0.00 H new ATOM 1124 N TYR A 71 1.752 -9.131 8.207 1.00 0.00 N ATOM 1125 CA TYR A 71 0.817 -10.194 7.737 1.00 0.00 C ATOM 1126 C TYR A 71 0.361 -11.031 8.935 1.00 0.00 C ATOM 1127 O TYR A 71 0.504 -12.237 8.955 1.00 0.00 O ATOM 1128 CB TYR A 71 1.535 -11.089 6.722 1.00 0.00 C ATOM 1129 CG TYR A 71 0.638 -12.245 6.337 1.00 0.00 C ATOM 1130 CD1 TYR A 71 -0.515 -12.011 5.578 1.00 0.00 C ATOM 1131 CD2 TYR A 71 0.958 -13.550 6.737 1.00 0.00 C ATOM 1132 CE1 TYR A 71 -1.347 -13.078 5.219 1.00 0.00 C ATOM 1133 CE2 TYR A 71 0.126 -14.617 6.378 1.00 0.00 C ATOM 1134 CZ TYR A 71 -1.027 -14.381 5.619 1.00 0.00 C ATOM 1135 OH TYR A 71 -1.847 -15.432 5.266 1.00 0.00 O ATOM 0 H TYR A 71 1.539 -8.189 7.880 1.00 0.00 H new ATOM 0 HA TYR A 71 -0.052 -9.738 7.263 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.800 -10.511 5.837 1.00 0.00 H new ATOM 0 HB3 TYR A 71 2.466 -11.464 7.148 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.763 -11.006 5.269 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.847 -13.732 7.323 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.236 -12.896 4.633 1.00 0.00 H new ATOM 0 HE2 TYR A 71 0.373 -15.622 6.686 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.480 -16.268 5.623 1.00 0.00 H new ATOM 1145 N SER A 72 -0.186 -10.398 9.936 1.00 0.00 N ATOM 1146 CA SER A 72 -0.651 -11.154 11.133 1.00 0.00 C ATOM 1147 C SER A 72 -2.026 -11.763 10.848 1.00 0.00 C ATOM 1148 O SER A 72 -2.879 -11.139 10.250 1.00 0.00 O ATOM 1149 CB SER A 72 -0.753 -10.206 12.328 1.00 0.00 C ATOM 1150 OG SER A 72 0.536 -9.683 12.623 1.00 0.00 O ATOM 0 H SER A 72 -0.331 -9.389 9.977 1.00 0.00 H new ATOM 0 HA SER A 72 0.060 -11.948 11.359 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.445 -9.394 12.105 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.151 -10.735 13.194 1.00 0.00 H new ATOM 0 HG SER A 72 0.474 -9.073 13.388 1.00 0.00 H new ATOM 1156 N SER A 73 -2.245 -12.978 11.271 1.00 0.00 N ATOM 1157 CA SER A 73 -3.564 -13.625 11.024 1.00 0.00 C ATOM 1158 C SER A 73 -4.683 -12.717 11.541 1.00 0.00 C ATOM 1159 O SER A 73 -5.844 -12.925 11.252 1.00 0.00 O ATOM 1160 CB SER A 73 -3.618 -14.966 11.755 1.00 0.00 C ATOM 1161 OG SER A 73 -4.788 -15.670 11.358 1.00 0.00 O ATOM 0 H SER A 73 -1.568 -13.550 11.776 1.00 0.00 H new ATOM 0 HA SER A 73 -3.694 -13.788 9.954 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.730 -15.555 11.525 1.00 0.00 H new ATOM 0 HB3 SER A 73 -3.624 -14.806 12.833 1.00 0.00 H new ATOM 0 HG SER A 73 -4.825 -16.531 11.824 1.00 0.00 H new ATOM 1167 N GLU A 74 -4.344 -11.714 12.303 1.00 0.00 N ATOM 1168 CA GLU A 74 -5.390 -10.798 12.838 1.00 0.00 C ATOM 1169 C GLU A 74 -5.822 -9.815 11.747 1.00 0.00 C ATOM 1170 O GLU A 74 -6.986 -9.712 11.416 1.00 0.00 O ATOM 1171 CB GLU A 74 -4.828 -10.021 14.030 1.00 0.00 C ATOM 1172 CG GLU A 74 -4.660 -10.964 15.223 1.00 0.00 C ATOM 1173 CD GLU A 74 -4.225 -10.163 16.450 1.00 0.00 C ATOM 1174 OE1 GLU A 74 -3.193 -9.515 16.375 1.00 0.00 O ATOM 1175 OE2 GLU A 74 -4.929 -10.209 17.445 1.00 0.00 O ATOM 0 H GLU A 74 -3.388 -11.489 12.578 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.252 -11.384 13.158 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.868 -9.576 13.767 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -5.498 -9.202 14.292 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -5.598 -11.480 15.427 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.918 -11.729 14.994 1.00 0.00 H new ATOM 1182 N ARG A 75 -4.892 -9.088 11.189 1.00 0.00 N ATOM 1183 CA ARG A 75 -5.250 -8.108 10.124 1.00 0.00 C ATOM 1184 C ARG A 75 -5.716 -8.858 8.872 1.00 0.00 C ATOM 1185 O ARG A 75 -6.480 -8.344 8.080 1.00 0.00 O ATOM 1186 CB ARG A 75 -4.024 -7.253 9.786 1.00 0.00 C ATOM 1187 CG ARG A 75 -3.822 -6.190 10.872 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.702 -6.865 12.241 1.00 0.00 C ATOM 1189 NE ARG A 75 -3.080 -5.919 13.208 1.00 0.00 N ATOM 1190 CZ ARG A 75 -3.176 -6.142 14.491 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -3.816 -7.193 14.925 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -2.629 -5.315 15.340 1.00 0.00 N ATOM 0 H ARG A 75 -3.900 -9.130 11.424 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.055 -7.464 10.478 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.138 -7.884 9.711 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.158 -6.775 8.816 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.924 -5.609 10.663 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.660 -5.493 10.872 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.687 -7.169 12.596 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.098 -7.769 12.161 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.579 -5.098 12.869 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -4.242 -7.841 14.262 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.891 -7.367 15.927 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.127 -4.495 15.001 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.704 -5.489 16.342 1.00 0.00 H new ATOM 1206 N TRP A 76 -5.262 -10.066 8.687 1.00 0.00 N ATOM 1207 CA TRP A 76 -5.680 -10.842 7.485 1.00 0.00 C ATOM 1208 C TRP A 76 -7.092 -11.395 7.700 1.00 0.00 C ATOM 1209 O TRP A 76 -7.978 -11.187 6.895 1.00 0.00 O ATOM 1210 CB TRP A 76 -4.695 -11.996 7.262 1.00 0.00 C ATOM 1211 CG TRP A 76 -5.203 -12.901 6.181 1.00 0.00 C ATOM 1212 CD1 TRP A 76 -5.550 -14.197 6.358 1.00 0.00 C ATOM 1213 CD2 TRP A 76 -5.425 -12.606 4.771 1.00 0.00 C ATOM 1214 NE1 TRP A 76 -5.971 -14.716 5.146 1.00 0.00 N ATOM 1215 CE2 TRP A 76 -5.912 -13.774 4.138 1.00 0.00 C ATOM 1216 CE3 TRP A 76 -5.253 -11.451 3.987 1.00 0.00 C ATOM 1217 CZ2 TRP A 76 -6.217 -13.796 2.777 1.00 0.00 C ATOM 1218 CZ3 TRP A 76 -5.560 -11.469 2.616 1.00 0.00 C ATOM 1219 CH2 TRP A 76 -6.041 -12.639 2.013 1.00 0.00 C ATOM 0 H TRP A 76 -4.620 -10.550 9.315 1.00 0.00 H new ATOM 0 HA TRP A 76 -5.681 -10.194 6.609 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -3.716 -11.602 6.988 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -4.565 -12.558 8.187 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -5.506 -14.738 7.292 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -6.286 -15.677 5.014 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -4.882 -10.544 4.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -6.586 -14.701 2.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -5.425 -10.576 2.024 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -6.275 -12.647 0.959 1.00 0.00 H new ATOM 1230 N THR A 77 -7.310 -12.097 8.777 1.00 0.00 N ATOM 1231 CA THR A 77 -8.664 -12.659 9.036 1.00 0.00 C ATOM 1232 C THR A 77 -9.637 -11.520 9.349 1.00 0.00 C ATOM 1233 O THR A 77 -10.833 -11.649 9.180 1.00 0.00 O ATOM 1234 CB THR A 77 -8.598 -13.618 10.227 1.00 0.00 C ATOM 1235 OG1 THR A 77 -8.206 -12.901 11.389 1.00 0.00 O ATOM 1236 CG2 THR A 77 -7.585 -14.726 9.937 1.00 0.00 C ATOM 0 H THR A 77 -6.609 -12.306 9.488 1.00 0.00 H new ATOM 0 HA THR A 77 -9.009 -13.199 8.154 1.00 0.00 H new ATOM 0 HB THR A 77 -9.579 -14.064 10.391 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.246 -13.027 11.543 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.539 -15.408 10.786 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.891 -15.275 9.046 1.00 0.00 H new ATOM 0 HG23 THR A 77 -6.602 -14.286 9.772 1.00 0.00 H new ATOM 1244 N ASN A 78 -9.133 -10.402 9.799 1.00 0.00 N ATOM 1245 CA ASN A 78 -10.025 -9.250 10.118 1.00 0.00 C ATOM 1246 C ASN A 78 -10.247 -8.421 8.853 1.00 0.00 C ATOM 1247 O ASN A 78 -11.265 -7.777 8.692 1.00 0.00 O ATOM 1248 CB ASN A 78 -9.368 -8.379 11.191 1.00 0.00 C ATOM 1249 CG ASN A 78 -10.324 -7.252 11.589 1.00 0.00 C ATOM 1250 OD1 ASN A 78 -11.388 -7.501 12.118 1.00 0.00 O ATOM 1251 ND2 ASN A 78 -9.985 -6.013 11.354 1.00 0.00 N ATOM 0 H ASN A 78 -8.139 -10.237 9.960 1.00 0.00 H new ATOM 0 HA ASN A 78 -10.982 -9.618 10.487 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -9.119 -8.984 12.063 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -8.434 -7.962 10.814 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -10.614 -5.254 11.615 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.091 -5.804 10.910 1.00 0.00 H new ATOM 1258 N ALA A 79 -9.301 -8.433 7.954 1.00 0.00 N ATOM 1259 CA ALA A 79 -9.456 -7.646 6.698 1.00 0.00 C ATOM 1260 C ALA A 79 -10.323 -8.431 5.710 1.00 0.00 C ATOM 1261 O ALA A 79 -11.288 -7.921 5.175 1.00 0.00 O ATOM 1262 CB ALA A 79 -8.079 -7.395 6.078 1.00 0.00 C ATOM 0 H ALA A 79 -8.428 -8.954 8.035 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.932 -6.692 6.924 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -8.193 -6.819 5.159 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.460 -6.838 6.781 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.603 -8.349 5.852 1.00 0.00 H new ATOM 1268 N ASP A 80 -9.987 -9.668 5.465 1.00 0.00 N ATOM 1269 CA ASP A 80 -10.791 -10.485 4.513 1.00 0.00 C ATOM 1270 C ASP A 80 -12.271 -10.400 4.892 1.00 0.00 C ATOM 1271 O ASP A 80 -13.128 -10.223 4.050 1.00 0.00 O ATOM 1272 CB ASP A 80 -10.330 -11.943 4.578 1.00 0.00 C ATOM 1273 CG ASP A 80 -11.210 -12.797 3.664 1.00 0.00 C ATOM 1274 OD1 ASP A 80 -11.467 -12.369 2.551 1.00 0.00 O ATOM 1275 OD2 ASP A 80 -11.613 -13.866 4.094 1.00 0.00 O ATOM 0 H ASP A 80 -9.190 -10.148 5.883 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.653 -10.105 3.501 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -9.287 -12.020 4.272 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -10.389 -12.309 5.603 1.00 0.00 H new ATOM 1280 N LYS A 81 -12.579 -10.525 6.155 1.00 0.00 N ATOM 1281 CA LYS A 81 -14.004 -10.452 6.585 1.00 0.00 C ATOM 1282 C LYS A 81 -14.592 -9.102 6.172 1.00 0.00 C ATOM 1283 O LYS A 81 -15.513 -9.099 5.371 1.00 0.00 O ATOM 1284 CB LYS A 81 -14.085 -10.602 8.106 1.00 0.00 C ATOM 1285 CG LYS A 81 -15.553 -10.641 8.537 1.00 0.00 C ATOM 1286 CD LYS A 81 -15.636 -10.855 10.049 1.00 0.00 C ATOM 1287 CE LYS A 81 -17.102 -10.850 10.486 1.00 0.00 C ATOM 1288 NZ LYS A 81 -17.176 -10.860 11.975 1.00 0.00 N ATOM 0 H LYS A 81 -11.906 -10.674 6.906 1.00 0.00 H new ATOM 0 HA LYS A 81 -14.570 -11.254 6.111 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.578 -11.515 8.420 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.574 -9.771 8.592 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -16.048 -9.709 8.263 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -16.075 -11.444 8.016 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -15.168 -11.802 10.319 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -15.088 -10.069 10.569 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -17.607 -9.968 10.092 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -17.617 -11.721 10.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -18.172 -10.857 12.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -16.708 -11.714 12.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -16.699 -10.016 12.352 1.00 0.00 H new TER 1302 LYS A 81