USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 485 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 52 CYS SG : rot -45:sc= -0.148 USER MOD Set 1.2: A 56 ASN : amide:sc= -0.0986 X(o=-0.25,f=-0.24) USER MOD Set 2.1: A 5 THR OG1 : rot 180:sc= 0.924 USER MOD Set 2.2: A 12 ASN : amide:sc= -0.397 K(o=1.6,f=0.86) USER MOD Set 2.3: A 14 THR OG1 : rot -101:sc= 1.06 USER MOD Single : A 6 TYR OH : rot 30:sc= -0.681 USER MOD Single : A 8 ASN : amide:sc= -2.43 X(o=-2.4,f=-2.7) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.0038) USER MOD Single : A 18 LYS NZ :NH3+ 159:sc= 0.292 (180deg=0.00736) USER MOD Single : A 20 HIS : no HD1:sc= -5.16! C(o=-5.2!,f=-5!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 180:sc= -0.971 USER MOD Single : A 29 CYS SG : rot 180:sc= -3.16! USER MOD Single : A 30 HIS : no HD1:sc= -1.71! C(o=-1.7!,f=-1.9!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 117:sc= 0.298 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0821 USER MOD Single : A 53 HIS : no HD1:sc= -4.02! C(o=-4!,f=-3.9!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc=-0.00184 X(o=-0.0018,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.0403 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 CYS SG : rot 180:sc= 0.0755 USER MOD Single : A 66 HIS : no HE2:sc= -0.768 K(o=-0.77,f=-5.2!) USER MOD Single : A 68 LYS NZ :NH3+ 146:sc= 0 (180deg=-0.0823) USER MOD ----------------------------------------------------------------- ATOM 11 N ASP A 2 6.121 -7.327 10.107 1.00 10.00 N ATOM 12 CA ASP A 2 6.854 -6.121 9.765 1.00 10.00 C ATOM 13 C ASP A 2 6.743 -5.870 8.260 1.00 10.00 C ATOM 14 O ASP A 2 6.330 -4.792 7.836 1.00 10.00 O ATOM 15 CB ASP A 2 8.338 -6.262 10.112 1.00 10.00 C ATOM 16 CG ASP A 2 8.646 -6.360 11.607 1.00 10.00 C ATOM 17 OD1 ASP A 2 7.685 -6.225 12.394 1.00 10.00 O ATOM 18 OD2 ASP A 2 9.836 -6.568 11.929 1.00 10.00 O ATOM 0 HA ASP A 2 6.427 -5.295 10.333 1.00 10.00 H new ATOM 0 HB2 ASP A 2 8.729 -7.151 9.617 1.00 10.00 H new ATOM 0 HB3 ASP A 2 8.875 -5.407 9.701 1.00 10.00 H new ATOM 23 N VAL A 3 7.118 -6.884 7.494 1.00 10.00 N ATOM 24 CA VAL A 3 7.064 -6.788 6.045 1.00 10.00 C ATOM 25 C VAL A 3 5.960 -7.704 5.517 1.00 10.00 C ATOM 26 O VAL A 3 5.579 -8.669 6.179 1.00 10.00 O ATOM 27 CB VAL A 3 8.438 -7.101 5.449 1.00 10.00 C ATOM 28 CG1 VAL A 3 8.349 -7.278 3.932 1.00 10.00 C ATOM 29 CG2 VAL A 3 9.455 -6.019 5.816 1.00 10.00 C ATOM 0 H VAL A 3 7.461 -7.776 7.850 1.00 10.00 H new ATOM 0 HA VAL A 3 6.815 -5.772 5.739 1.00 10.00 H new ATOM 0 HB VAL A 3 8.782 -8.042 5.877 1.00 10.00 H new ATOM 0 HG11 VAL A 3 9.339 -7.500 3.533 1.00 10.00 H new ATOM 0 HG12 VAL A 3 7.672 -8.100 3.701 1.00 10.00 H new ATOM 0 HG13 VAL A 3 7.973 -6.360 3.480 1.00 10.00 H new ATOM 0 HG21 VAL A 3 10.423 -6.266 5.380 1.00 10.00 H new ATOM 0 HG22 VAL A 3 9.118 -5.057 5.430 1.00 10.00 H new ATOM 0 HG23 VAL A 3 9.550 -5.962 6.900 1.00 10.00 H new ATOM 39 N VAL A 4 5.475 -7.371 4.330 1.00 10.00 N ATOM 40 CA VAL A 4 4.422 -8.153 3.705 1.00 10.00 C ATOM 41 C VAL A 4 4.773 -8.392 2.235 1.00 10.00 C ATOM 42 O VAL A 4 5.396 -7.546 1.597 1.00 10.00 O ATOM 43 CB VAL A 4 3.072 -7.457 3.891 1.00 10.00 C ATOM 44 CG1 VAL A 4 1.968 -8.188 3.127 1.00 10.00 C ATOM 45 CG2 VAL A 4 2.722 -7.330 5.375 1.00 10.00 C ATOM 0 H VAL A 4 5.792 -6.570 3.784 1.00 10.00 H new ATOM 0 HA VAL A 4 4.338 -9.129 4.182 1.00 10.00 H new ATOM 0 HB VAL A 4 3.153 -6.451 3.479 1.00 10.00 H new ATOM 0 HG11 VAL A 4 1.019 -7.672 3.276 1.00 10.00 H new ATOM 0 HG12 VAL A 4 2.209 -8.203 2.064 1.00 10.00 H new ATOM 0 HG13 VAL A 4 1.887 -9.211 3.495 1.00 10.00 H new ATOM 0 HG21 VAL A 4 1.758 -6.832 5.480 1.00 10.00 H new ATOM 0 HG22 VAL A 4 2.668 -8.322 5.822 1.00 10.00 H new ATOM 0 HG23 VAL A 4 3.490 -6.745 5.881 1.00 10.00 H new ATOM 55 N THR A 5 4.359 -9.550 1.742 1.00 10.00 N ATOM 56 CA THR A 5 4.622 -9.911 0.359 1.00 10.00 C ATOM 57 C THR A 5 3.490 -10.782 -0.189 1.00 10.00 C ATOM 58 O THR A 5 3.171 -11.824 0.382 1.00 10.00 O ATOM 59 CB THR A 5 5.994 -10.588 0.300 1.00 10.00 C ATOM 60 OG1 THR A 5 6.889 -9.532 -0.034 1.00 10.00 O ATOM 61 CG2 THR A 5 6.115 -11.564 -0.873 1.00 10.00 C ATOM 0 H THR A 5 3.844 -10.250 2.275 1.00 10.00 H new ATOM 0 HA THR A 5 4.651 -9.030 -0.282 1.00 10.00 H new ATOM 0 HB THR A 5 6.177 -11.118 1.235 1.00 10.00 H new ATOM 0 HG1 THR A 5 7.802 -9.883 -0.092 1.00 10.00 H new ATOM 0 HG21 THR A 5 7.107 -12.017 -0.869 1.00 10.00 H new ATOM 0 HG22 THR A 5 5.360 -12.344 -0.777 1.00 10.00 H new ATOM 0 HG23 THR A 5 5.965 -11.027 -1.810 1.00 10.00 H new ATOM 69 N TYR A 6 2.915 -10.324 -1.291 1.00 10.00 N ATOM 70 CA TYR A 6 1.826 -11.048 -1.924 1.00 10.00 C ATOM 71 C TYR A 6 2.206 -11.484 -3.340 1.00 10.00 C ATOM 72 O TYR A 6 2.745 -10.694 -4.113 1.00 10.00 O ATOM 73 CB TYR A 6 0.656 -10.066 -2.002 1.00 10.00 C ATOM 74 CG TYR A 6 0.176 -9.560 -0.640 1.00 10.00 C ATOM 75 CD1 TYR A 6 -0.356 -10.443 0.276 1.00 10.00 C ATOM 76 CD2 TYR A 6 0.275 -8.219 -0.329 1.00 10.00 C ATOM 77 CE1 TYR A 6 -0.807 -9.967 1.558 1.00 10.00 C ATOM 78 CE2 TYR A 6 -0.177 -7.742 0.953 1.00 10.00 C ATOM 79 CZ TYR A 6 -0.696 -8.640 1.833 1.00 10.00 C ATOM 80 OH TYR A 6 -1.122 -8.190 3.043 1.00 10.00 O ATOM 0 H TYR A 6 3.183 -9.460 -1.762 1.00 10.00 H new ATOM 0 HA TYR A 6 1.581 -11.946 -1.356 1.00 10.00 H new ATOM 0 HB2 TYR A 6 0.952 -9.212 -2.612 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -0.177 -10.549 -2.513 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -0.434 -11.492 0.032 1.00 10.00 H new ATOM 0 HD2 TYR A 6 0.691 -7.527 -1.047 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -1.224 -10.649 2.285 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -0.105 -6.695 1.210 1.00 10.00 H new ATOM 0 HH TYR A 6 -1.015 -8.898 3.712 1.00 10.00 H new ATOM 90 N GLU A 7 1.910 -12.741 -3.638 1.00 10.00 N ATOM 91 CA GLU A 7 2.214 -13.292 -4.948 1.00 10.00 C ATOM 92 C GLU A 7 1.057 -13.033 -5.913 1.00 10.00 C ATOM 93 O GLU A 7 -0.108 -13.073 -5.519 1.00 10.00 O ATOM 94 CB GLU A 7 2.528 -14.786 -4.855 1.00 10.00 C ATOM 95 CG GLU A 7 3.902 -15.021 -4.225 1.00 10.00 C ATOM 96 CD GLU A 7 4.048 -16.468 -3.752 1.00 10.00 C ATOM 97 OE1 GLU A 7 4.418 -17.308 -4.601 1.00 10.00 O ATOM 98 OE2 GLU A 7 3.788 -16.702 -2.552 1.00 10.00 O ATOM 0 H GLU A 7 1.463 -13.394 -2.994 1.00 10.00 H new ATOM 0 HA GLU A 7 3.102 -12.792 -5.334 1.00 10.00 H new ATOM 0 HB2 GLU A 7 1.762 -15.286 -4.262 1.00 10.00 H new ATOM 0 HB3 GLU A 7 2.500 -15.229 -5.850 1.00 10.00 H new ATOM 0 HG2 GLU A 7 4.683 -14.791 -4.950 1.00 10.00 H new ATOM 0 HG3 GLU A 7 4.040 -14.344 -3.382 1.00 10.00 H new ATOM 105 N ASN A 8 1.417 -12.773 -7.162 1.00 10.00 N ATOM 106 CA ASN A 8 0.423 -12.507 -8.188 1.00 10.00 C ATOM 107 C ASN A 8 1.003 -12.863 -9.558 1.00 10.00 C ATOM 108 O ASN A 8 2.198 -13.126 -9.681 1.00 10.00 O ATOM 109 CB ASN A 8 0.035 -11.028 -8.209 1.00 10.00 C ATOM 110 CG ASN A 8 -0.468 -10.573 -6.837 1.00 10.00 C ATOM 111 OD1 ASN A 8 -1.459 -11.059 -6.318 1.00 10.00 O ATOM 112 ND2 ASN A 8 0.270 -9.616 -6.280 1.00 10.00 N ATOM 0 H ASN A 8 2.384 -12.741 -7.486 1.00 10.00 H new ATOM 0 HA ASN A 8 -0.459 -13.108 -7.967 1.00 10.00 H new ATOM 0 HB2 ASN A 8 0.896 -10.427 -8.502 1.00 10.00 H new ATOM 0 HB3 ASN A 8 -0.740 -10.862 -8.958 1.00 10.00 H new ATOM 0 HD21 ASN A 8 0.018 -9.245 -5.364 1.00 10.00 H new ATOM 0 HD22 ASN A 8 1.088 -9.253 -6.769 1.00 10.00 H new ATOM 119 N LYS A 9 0.129 -12.861 -10.554 1.00 10.00 N ATOM 120 CA LYS A 9 0.538 -13.180 -11.911 1.00 10.00 C ATOM 121 C LYS A 9 0.668 -11.886 -12.717 1.00 10.00 C ATOM 122 O LYS A 9 0.526 -11.897 -13.940 1.00 10.00 O ATOM 123 CB LYS A 9 -0.417 -14.200 -12.533 1.00 10.00 C ATOM 124 CG LYS A 9 0.289 -15.025 -13.613 1.00 10.00 C ATOM 125 CD LYS A 9 -0.657 -16.068 -14.212 1.00 10.00 C ATOM 126 CE LYS A 9 0.110 -17.075 -15.069 1.00 10.00 C ATOM 127 NZ LYS A 9 -0.816 -18.067 -15.659 1.00 10.00 N ATOM 0 H LYS A 9 -0.862 -12.643 -10.448 1.00 10.00 H new ATOM 0 HA LYS A 9 1.519 -13.656 -11.912 1.00 10.00 H new ATOM 0 HB2 LYS A 9 -0.802 -14.863 -11.758 1.00 10.00 H new ATOM 0 HB3 LYS A 9 -1.274 -13.684 -12.966 1.00 10.00 H new ATOM 0 HG2 LYS A 9 0.653 -14.365 -14.400 1.00 10.00 H new ATOM 0 HG3 LYS A 9 1.160 -15.522 -13.185 1.00 10.00 H new ATOM 0 HD2 LYS A 9 -1.181 -16.591 -13.412 1.00 10.00 H new ATOM 0 HD3 LYS A 9 -1.415 -15.571 -14.818 1.00 10.00 H new ATOM 0 HE2 LYS A 9 0.646 -16.553 -15.862 1.00 10.00 H new ATOM 0 HE3 LYS A 9 0.858 -17.584 -14.461 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 -0.278 -18.743 -16.238 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 -1.308 -18.578 -14.898 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 -1.514 -17.579 -16.256 1.00 10.00 H new ATOM 141 N LYS A 10 0.935 -10.804 -12.002 1.00 10.00 N ATOM 142 CA LYS A 10 1.084 -9.505 -12.636 1.00 10.00 C ATOM 143 C LYS A 10 1.970 -8.615 -11.762 1.00 10.00 C ATOM 144 O LYS A 10 1.538 -7.555 -11.312 1.00 10.00 O ATOM 145 CB LYS A 10 -0.286 -8.898 -12.943 1.00 10.00 C ATOM 146 CG LYS A 10 -0.147 -7.628 -13.785 1.00 10.00 C ATOM 147 CD LYS A 10 -0.782 -7.812 -15.164 1.00 10.00 C ATOM 148 CE LYS A 10 0.270 -8.196 -16.206 1.00 10.00 C ATOM 149 NZ LYS A 10 -0.270 -8.029 -17.574 1.00 10.00 N ATOM 0 H LYS A 10 1.052 -10.800 -10.989 1.00 10.00 H new ATOM 0 HA LYS A 10 1.584 -9.606 -13.599 1.00 10.00 H new ATOM 0 HB2 LYS A 10 -0.899 -9.626 -13.475 1.00 10.00 H new ATOM 0 HB3 LYS A 10 -0.802 -8.666 -12.011 1.00 10.00 H new ATOM 0 HG2 LYS A 10 -0.622 -6.793 -13.271 1.00 10.00 H new ATOM 0 HG3 LYS A 10 0.907 -7.375 -13.897 1.00 10.00 H new ATOM 0 HD2 LYS A 10 -1.549 -8.585 -15.115 1.00 10.00 H new ATOM 0 HD3 LYS A 10 -1.278 -6.889 -15.466 1.00 10.00 H new ATOM 0 HE2 LYS A 10 1.158 -7.576 -16.081 1.00 10.00 H new ATOM 0 HE3 LYS A 10 0.580 -9.230 -16.055 1.00 10.00 H new ATOM 0 HZ1 LYS A 10 0.457 -8.294 -18.269 1.00 10.00 H new ATOM 0 HZ2 LYS A 10 -1.103 -8.639 -17.695 1.00 10.00 H new ATOM 0 HZ3 LYS A 10 -0.543 -7.036 -17.720 1.00 10.00 H new ATOM 163 N GLY A 11 3.192 -9.078 -11.548 1.00 10.00 N ATOM 164 CA GLY A 11 4.142 -8.336 -10.735 1.00 10.00 C ATOM 165 C GLY A 11 3.797 -8.450 -9.249 1.00 10.00 C ATOM 166 O GLY A 11 2.628 -8.390 -8.873 1.00 10.00 O ATOM 0 H GLY A 11 3.547 -9.958 -11.923 1.00 10.00 H new ATOM 0 HA2 GLY A 11 5.149 -8.715 -10.908 1.00 10.00 H new ATOM 0 HA3 GLY A 11 4.141 -7.288 -11.033 1.00 10.00 H new ATOM 170 N ASN A 12 4.837 -8.610 -8.444 1.00 10.00 N ATOM 171 CA ASN A 12 4.659 -8.731 -7.008 1.00 10.00 C ATOM 172 C ASN A 12 4.423 -7.344 -6.409 1.00 10.00 C ATOM 173 O ASN A 12 5.080 -6.377 -6.791 1.00 10.00 O ATOM 174 CB ASN A 12 5.905 -9.325 -6.346 1.00 10.00 C ATOM 175 CG ASN A 12 5.533 -10.477 -5.411 1.00 10.00 C ATOM 176 OD1 ASN A 12 5.460 -10.330 -4.202 1.00 10.00 O ATOM 177 ND2 ASN A 12 5.303 -11.628 -6.035 1.00 10.00 N ATOM 0 H ASN A 12 5.806 -8.659 -8.759 1.00 10.00 H new ATOM 0 HA ASN A 12 3.807 -9.387 -6.829 1.00 10.00 H new ATOM 0 HB2 ASN A 12 6.593 -9.682 -7.112 1.00 10.00 H new ATOM 0 HB3 ASN A 12 6.427 -8.550 -5.784 1.00 10.00 H new ATOM 0 HD21 ASN A 12 5.048 -12.457 -5.498 1.00 10.00 H new ATOM 0 HD22 ASN A 12 5.382 -11.682 -7.051 1.00 10.00 H new ATOM 184 N VAL A 13 3.481 -7.289 -5.478 1.00 10.00 N ATOM 185 CA VAL A 13 3.149 -6.036 -4.822 1.00 10.00 C ATOM 186 C VAL A 13 3.542 -6.117 -3.346 1.00 10.00 C ATOM 187 O VAL A 13 2.694 -5.991 -2.465 1.00 10.00 O ATOM 188 CB VAL A 13 1.667 -5.713 -5.028 1.00 10.00 C ATOM 189 CG1 VAL A 13 0.780 -6.719 -4.292 1.00 10.00 C ATOM 190 CG2 VAL A 13 1.353 -4.281 -4.594 1.00 10.00 C ATOM 0 H VAL A 13 2.937 -8.092 -5.163 1.00 10.00 H new ATOM 0 HA VAL A 13 3.712 -5.214 -5.264 1.00 10.00 H new ATOM 0 HB VAL A 13 1.450 -5.794 -6.093 1.00 10.00 H new ATOM 0 HG11 VAL A 13 -0.268 -6.467 -4.454 1.00 10.00 H new ATOM 0 HG12 VAL A 13 0.975 -7.722 -4.671 1.00 10.00 H new ATOM 0 HG13 VAL A 13 1.000 -6.686 -3.225 1.00 10.00 H new ATOM 0 HG21 VAL A 13 0.294 -4.077 -4.751 1.00 10.00 H new ATOM 0 HG22 VAL A 13 1.593 -4.160 -3.538 1.00 10.00 H new ATOM 0 HG23 VAL A 13 1.948 -3.583 -5.184 1.00 10.00 H new ATOM 200 N THR A 14 4.831 -6.329 -3.121 1.00 10.00 N ATOM 201 CA THR A 14 5.348 -6.429 -1.766 1.00 10.00 C ATOM 202 C THR A 14 4.978 -5.183 -0.961 1.00 10.00 C ATOM 203 O THR A 14 5.240 -4.060 -1.391 1.00 10.00 O ATOM 204 CB THR A 14 6.856 -6.672 -1.853 1.00 10.00 C ATOM 205 OG1 THR A 14 6.972 -8.085 -2.003 1.00 10.00 O ATOM 206 CG2 THR A 14 7.573 -6.378 -0.533 1.00 10.00 C ATOM 0 H THR A 14 5.532 -6.434 -3.854 1.00 10.00 H new ATOM 0 HA THR A 14 4.900 -7.267 -1.232 1.00 10.00 H new ATOM 0 HB THR A 14 7.279 -6.051 -2.643 1.00 10.00 H new ATOM 0 HG1 THR A 14 7.207 -8.487 -1.141 1.00 10.00 H new ATOM 0 HG21 THR A 14 8.640 -6.566 -0.649 1.00 10.00 H new ATOM 0 HG22 THR A 14 7.416 -5.335 -0.258 1.00 10.00 H new ATOM 0 HG23 THR A 14 7.174 -7.023 0.250 1.00 10.00 H new ATOM 214 N PHE A 15 4.375 -5.420 0.195 1.00 10.00 N ATOM 215 CA PHE A 15 3.967 -4.331 1.064 1.00 10.00 C ATOM 216 C PHE A 15 4.949 -4.158 2.225 1.00 10.00 C ATOM 217 O PHE A 15 5.933 -4.890 2.324 1.00 10.00 O ATOM 218 CB PHE A 15 2.592 -4.697 1.626 1.00 10.00 C ATOM 219 CG PHE A 15 1.420 -4.152 0.808 1.00 10.00 C ATOM 220 CD1 PHE A 15 1.608 -3.783 -0.486 1.00 10.00 C ATOM 221 CD2 PHE A 15 0.189 -4.038 1.376 1.00 10.00 C ATOM 222 CE1 PHE A 15 0.520 -3.276 -1.246 1.00 10.00 C ATOM 223 CE2 PHE A 15 -0.898 -3.532 0.617 1.00 10.00 C ATOM 224 CZ PHE A 15 -0.710 -3.161 -0.679 1.00 10.00 C ATOM 0 H PHE A 15 4.159 -6.352 0.550 1.00 10.00 H new ATOM 0 HA PHE A 15 3.942 -3.397 0.502 1.00 10.00 H new ATOM 0 HB2 PHE A 15 2.510 -5.783 1.680 1.00 10.00 H new ATOM 0 HB3 PHE A 15 2.516 -4.320 2.646 1.00 10.00 H new ATOM 0 HD1 PHE A 15 2.585 -3.875 -0.937 1.00 10.00 H new ATOM 0 HD2 PHE A 15 0.039 -4.333 2.404 1.00 10.00 H new ATOM 0 HE1 PHE A 15 0.670 -2.982 -2.274 1.00 10.00 H new ATOM 0 HE2 PHE A 15 -1.875 -3.441 1.068 1.00 10.00 H new ATOM 0 HZ PHE A 15 -1.537 -2.776 -1.256 1.00 10.00 H new ATOM 234 N ASP A 16 4.648 -3.185 3.074 1.00 10.00 N ATOM 235 CA ASP A 16 5.492 -2.907 4.223 1.00 10.00 C ATOM 236 C ASP A 16 4.613 -2.512 5.412 1.00 10.00 C ATOM 237 O ASP A 16 3.701 -1.701 5.271 1.00 10.00 O ATOM 238 CB ASP A 16 6.448 -1.748 3.936 1.00 10.00 C ATOM 239 CG ASP A 16 7.685 -2.116 3.114 1.00 10.00 C ATOM 240 OD1 ASP A 16 7.776 -3.302 2.727 1.00 10.00 O ATOM 241 OD2 ASP A 16 8.512 -1.206 2.892 1.00 10.00 O ATOM 0 H ASP A 16 3.831 -2.580 2.988 1.00 10.00 H new ATOM 0 HA ASP A 16 6.070 -3.805 4.443 1.00 10.00 H new ATOM 0 HB2 ASP A 16 5.900 -0.967 3.409 1.00 10.00 H new ATOM 0 HB3 ASP A 16 6.775 -1.323 4.885 1.00 10.00 H new ATOM 246 N HIS A 17 4.920 -3.106 6.556 1.00 10.00 N ATOM 247 CA HIS A 17 4.170 -2.828 7.768 1.00 10.00 C ATOM 248 C HIS A 17 5.025 -1.989 8.719 1.00 10.00 C ATOM 249 O HIS A 17 4.638 -0.884 9.098 1.00 10.00 O ATOM 250 CB HIS A 17 3.670 -4.124 8.409 1.00 10.00 C ATOM 251 CG HIS A 17 2.186 -4.140 8.685 1.00 10.00 C ATOM 252 ND1 HIS A 17 1.320 -5.033 8.081 1.00 10.00 N ATOM 253 CD2 HIS A 17 1.425 -3.363 9.508 1.00 10.00 C ATOM 254 CE1 HIS A 17 0.095 -4.796 8.525 1.00 10.00 C ATOM 255 NE2 HIS A 17 0.162 -3.760 9.410 1.00 10.00 N ATOM 0 H HIS A 17 5.678 -3.779 6.669 1.00 10.00 H new ATOM 0 HA HIS A 17 3.281 -2.246 7.523 1.00 10.00 H new ATOM 0 HB2 HIS A 17 3.916 -4.960 7.754 1.00 10.00 H new ATOM 0 HB3 HIS A 17 4.205 -4.284 9.345 1.00 10.00 H new ATOM 0 HD2 HIS A 17 1.788 -2.561 10.133 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -0.799 -5.329 8.237 1.00 10.00 H new ATOM 0 HE2 HIS A 17 -0.628 -3.357 9.913 1.00 10.00 H new ATOM 263 N LYS A 18 6.174 -2.545 9.078 1.00 10.00 N ATOM 264 CA LYS A 18 7.086 -1.862 9.979 1.00 10.00 C ATOM 265 C LYS A 18 8.042 -0.988 9.163 1.00 10.00 C ATOM 266 O LYS A 18 8.449 0.082 9.613 1.00 10.00 O ATOM 267 CB LYS A 18 7.797 -2.868 10.887 1.00 10.00 C ATOM 268 CG LYS A 18 8.699 -2.154 11.895 1.00 10.00 C ATOM 269 CD LYS A 18 10.169 -2.508 11.663 1.00 10.00 C ATOM 270 CE LYS A 18 10.891 -2.754 12.989 1.00 10.00 C ATOM 271 NZ LYS A 18 10.434 -4.023 13.600 1.00 10.00 N ATOM 0 H LYS A 18 6.493 -3.460 8.761 1.00 10.00 H new ATOM 0 HA LYS A 18 6.536 -1.198 10.646 1.00 10.00 H new ATOM 0 HB2 LYS A 18 7.059 -3.470 11.417 1.00 10.00 H new ATOM 0 HB3 LYS A 18 8.392 -3.552 10.282 1.00 10.00 H new ATOM 0 HG2 LYS A 18 8.563 -1.076 11.810 1.00 10.00 H new ATOM 0 HG3 LYS A 18 8.410 -2.433 12.908 1.00 10.00 H new ATOM 0 HD2 LYS A 18 10.238 -3.398 11.037 1.00 10.00 H new ATOM 0 HD3 LYS A 18 10.660 -1.699 11.122 1.00 10.00 H new ATOM 0 HE2 LYS A 18 11.968 -2.791 12.822 1.00 10.00 H new ATOM 0 HE3 LYS A 18 10.702 -1.926 13.672 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 11.147 -4.358 14.279 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 9.533 -3.865 14.094 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 10.301 -4.738 12.857 1.00 10.00 H new ATOM 285 N ALA A 19 8.372 -1.477 7.977 1.00 10.00 N ATOM 286 CA ALA A 19 9.272 -0.755 7.093 1.00 10.00 C ATOM 287 C ALA A 19 8.564 0.491 6.558 1.00 10.00 C ATOM 288 O ALA A 19 9.207 1.496 6.262 1.00 10.00 O ATOM 289 CB ALA A 19 9.743 -1.685 5.973 1.00 10.00 C ATOM 0 H ALA A 19 8.032 -2.365 7.607 1.00 10.00 H new ATOM 0 HA ALA A 19 10.158 -0.423 7.635 1.00 10.00 H new ATOM 0 HB1 ALA A 19 10.418 -1.144 5.310 1.00 10.00 H new ATOM 0 HB2 ALA A 19 10.266 -2.539 6.405 1.00 10.00 H new ATOM 0 HB3 ALA A 19 8.881 -2.036 5.405 1.00 10.00 H new ATOM 295 N HIS A 20 7.248 0.384 6.451 1.00 10.00 N ATOM 296 CA HIS A 20 6.445 1.489 5.957 1.00 10.00 C ATOM 297 C HIS A 20 6.050 2.399 7.122 1.00 10.00 C ATOM 298 O HIS A 20 6.268 3.608 7.072 1.00 10.00 O ATOM 299 CB HIS A 20 5.237 0.975 5.171 1.00 10.00 C ATOM 300 CG HIS A 20 5.243 1.363 3.712 1.00 10.00 C ATOM 301 ND1 HIS A 20 6.359 1.225 2.905 1.00 10.00 N ATOM 302 CD2 HIS A 20 4.259 1.884 2.923 1.00 10.00 C ATOM 303 CE1 HIS A 20 6.050 1.648 1.688 1.00 10.00 C ATOM 304 NE2 HIS A 20 4.748 2.057 1.701 1.00 10.00 N ATOM 0 H HIS A 20 6.718 -0.451 6.698 1.00 10.00 H new ATOM 0 HA HIS A 20 7.033 2.085 5.259 1.00 10.00 H new ATOM 0 HB2 HIS A 20 5.203 -0.112 5.247 1.00 10.00 H new ATOM 0 HB3 HIS A 20 4.327 1.356 5.634 1.00 10.00 H new ATOM 0 HD2 HIS A 20 3.253 2.116 3.239 1.00 10.00 H new ATOM 0 HE1 HIS A 20 6.712 1.666 0.835 1.00 10.00 H new ATOM 0 HE2 HIS A 20 4.235 2.433 0.904 1.00 10.00 H new ATOM 312 N ALA A 21 5.476 1.781 8.145 1.00 10.00 N ATOM 313 CA ALA A 21 5.048 2.519 9.321 1.00 10.00 C ATOM 314 C ALA A 21 6.109 3.565 9.674 1.00 10.00 C ATOM 315 O ALA A 21 5.789 4.613 10.232 1.00 10.00 O ATOM 316 CB ALA A 21 4.786 1.543 10.470 1.00 10.00 C ATOM 0 H ALA A 21 5.298 0.777 8.183 1.00 10.00 H new ATOM 0 HA ALA A 21 4.115 3.048 9.124 1.00 10.00 H new ATOM 0 HB1 ALA A 21 4.465 2.097 11.352 1.00 10.00 H new ATOM 0 HB2 ALA A 21 4.006 0.840 10.179 1.00 10.00 H new ATOM 0 HB3 ALA A 21 5.701 0.996 10.698 1.00 10.00 H new ATOM 322 N GLU A 22 7.348 3.242 9.335 1.00 10.00 N ATOM 323 CA GLU A 22 8.457 4.140 9.610 1.00 10.00 C ATOM 324 C GLU A 22 8.128 5.554 9.126 1.00 10.00 C ATOM 325 O GLU A 22 8.258 6.517 9.879 1.00 10.00 O ATOM 326 CB GLU A 22 9.749 3.628 8.968 1.00 10.00 C ATOM 327 CG GLU A 22 10.152 2.273 9.553 1.00 10.00 C ATOM 328 CD GLU A 22 11.602 2.298 10.044 1.00 10.00 C ATOM 329 OE1 GLU A 22 12.463 2.727 9.247 1.00 10.00 O ATOM 330 OE2 GLU A 22 11.814 1.887 11.205 1.00 10.00 O ATOM 0 H GLU A 22 7.609 2.371 8.872 1.00 10.00 H new ATOM 0 HA GLU A 22 8.613 4.173 10.688 1.00 10.00 H new ATOM 0 HB2 GLU A 22 9.613 3.537 7.890 1.00 10.00 H new ATOM 0 HB3 GLU A 22 10.550 4.350 9.128 1.00 10.00 H new ATOM 0 HG2 GLU A 22 9.489 2.018 10.379 1.00 10.00 H new ATOM 0 HG3 GLU A 22 10.033 1.497 8.797 1.00 10.00 H new ATOM 337 N LYS A 23 7.705 5.633 7.873 1.00 10.00 N ATOM 338 CA LYS A 23 7.356 6.913 7.281 1.00 10.00 C ATOM 339 C LYS A 23 5.860 7.169 7.476 1.00 10.00 C ATOM 340 O LYS A 23 5.452 8.291 7.772 1.00 10.00 O ATOM 341 CB LYS A 23 7.803 6.967 5.818 1.00 10.00 C ATOM 342 CG LYS A 23 9.293 7.298 5.712 1.00 10.00 C ATOM 343 CD LYS A 23 9.535 8.410 4.690 1.00 10.00 C ATOM 344 CE LYS A 23 10.680 8.044 3.742 1.00 10.00 C ATOM 345 NZ LYS A 23 11.768 9.044 3.834 1.00 10.00 N ATOM 0 H LYS A 23 7.596 4.832 7.252 1.00 10.00 H new ATOM 0 HA LYS A 23 7.887 7.722 7.783 1.00 10.00 H new ATOM 0 HB2 LYS A 23 7.605 6.009 5.338 1.00 10.00 H new ATOM 0 HB3 LYS A 23 7.221 7.718 5.284 1.00 10.00 H new ATOM 0 HG2 LYS A 23 9.671 7.606 6.687 1.00 10.00 H new ATOM 0 HG3 LYS A 23 9.848 6.406 5.422 1.00 10.00 H new ATOM 0 HD2 LYS A 23 8.625 8.586 4.116 1.00 10.00 H new ATOM 0 HD3 LYS A 23 9.770 9.340 5.208 1.00 10.00 H new ATOM 0 HE2 LYS A 23 11.065 7.055 3.991 1.00 10.00 H new ATOM 0 HE3 LYS A 23 10.310 7.993 2.718 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 12.537 8.781 3.185 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 11.401 9.982 3.574 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 12.132 9.073 4.808 1.00 10.00 H new ATOM 359 N LEU A 24 5.083 6.110 7.304 1.00 10.00 N ATOM 360 CA LEU A 24 3.642 6.206 7.458 1.00 10.00 C ATOM 361 C LEU A 24 3.306 6.450 8.931 1.00 10.00 C ATOM 362 O LEU A 24 3.492 7.555 9.439 1.00 10.00 O ATOM 363 CB LEU A 24 2.956 4.973 6.868 1.00 10.00 C ATOM 364 CG LEU A 24 3.055 4.812 5.349 1.00 10.00 C ATOM 365 CD1 LEU A 24 4.412 4.232 4.947 1.00 10.00 C ATOM 366 CD2 LEU A 24 1.892 3.978 4.809 1.00 10.00 C ATOM 0 H LEU A 24 5.425 5.181 7.059 1.00 10.00 H new ATOM 0 HA LEU A 24 3.255 7.056 6.896 1.00 10.00 H new ATOM 0 HB2 LEU A 24 3.383 4.086 7.336 1.00 10.00 H new ATOM 0 HB3 LEU A 24 1.901 5.002 7.142 1.00 10.00 H new ATOM 0 HG LEU A 24 2.980 5.800 4.895 1.00 10.00 H new ATOM 0 HD11 LEU A 24 4.456 4.128 3.863 1.00 10.00 H new ATOM 0 HD12 LEU A 24 5.206 4.900 5.280 1.00 10.00 H new ATOM 0 HD13 LEU A 24 4.542 3.254 5.411 1.00 10.00 H new ATOM 0 HD21 LEU A 24 1.987 3.879 3.728 1.00 10.00 H new ATOM 0 HD22 LEU A 24 1.910 2.989 5.267 1.00 10.00 H new ATOM 0 HD23 LEU A 24 0.949 4.471 5.047 1.00 10.00 H new ATOM 378 N GLY A 25 2.817 5.402 9.575 1.00 10.00 N ATOM 379 CA GLY A 25 2.453 5.489 10.979 1.00 10.00 C ATOM 380 C GLY A 25 1.083 4.855 11.231 1.00 10.00 C ATOM 381 O GLY A 25 0.285 5.380 12.005 1.00 10.00 O ATOM 0 H GLY A 25 2.664 4.487 9.151 1.00 10.00 H new ATOM 0 HA2 GLY A 25 3.207 4.987 11.586 1.00 10.00 H new ATOM 0 HA3 GLY A 25 2.437 6.534 11.290 1.00 10.00 H new ATOM 385 N CYS A 26 0.853 3.734 10.562 1.00 10.00 N ATOM 386 CA CYS A 26 -0.407 3.023 10.703 1.00 10.00 C ATOM 387 C CYS A 26 -1.533 3.942 10.225 1.00 10.00 C ATOM 388 O CYS A 26 -2.038 3.784 9.114 1.00 10.00 O ATOM 389 CB CYS A 26 -0.630 2.549 12.141 1.00 10.00 C ATOM 390 SG CYS A 26 0.882 2.480 13.170 1.00 10.00 S ATOM 0 H CYS A 26 1.518 3.301 9.921 1.00 10.00 H new ATOM 0 HA CYS A 26 -0.390 2.122 10.090 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -1.349 3.214 12.620 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -1.081 1.557 12.116 1.00 10.00 H new ATOM 0 HG CYS A 26 0.575 2.069 14.365 1.00 10.00 H new ATOM 395 N ASP A 27 -1.893 4.883 11.086 1.00 10.00 N ATOM 396 CA ASP A 27 -2.951 5.826 10.764 1.00 10.00 C ATOM 397 C ASP A 27 -2.850 6.214 9.288 1.00 10.00 C ATOM 398 O ASP A 27 -3.865 6.305 8.597 1.00 10.00 O ATOM 399 CB ASP A 27 -2.821 7.103 11.598 1.00 10.00 C ATOM 400 CG ASP A 27 -3.003 6.912 13.105 1.00 10.00 C ATOM 401 OD1 ASP A 27 -2.883 5.750 13.549 1.00 10.00 O ATOM 402 OD2 ASP A 27 -3.258 7.933 13.780 1.00 10.00 O ATOM 0 H ASP A 27 -1.471 5.013 12.006 1.00 10.00 H new ATOM 0 HA ASP A 27 -3.907 5.349 10.980 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -1.838 7.538 11.418 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -3.558 7.825 11.247 1.00 10.00 H new ATOM 407 N ALA A 28 -1.620 6.430 8.847 1.00 10.00 N ATOM 408 CA ALA A 28 -1.375 6.806 7.465 1.00 10.00 C ATOM 409 C ALA A 28 -2.313 6.013 6.553 1.00 10.00 C ATOM 410 O ALA A 28 -2.816 6.543 5.563 1.00 10.00 O ATOM 411 CB ALA A 28 0.100 6.576 7.128 1.00 10.00 C ATOM 0 H ALA A 28 -0.782 6.352 9.423 1.00 10.00 H new ATOM 0 HA ALA A 28 -1.583 7.865 7.311 1.00 10.00 H new ATOM 0 HB1 ALA A 28 0.285 6.858 6.091 1.00 10.00 H new ATOM 0 HB2 ALA A 28 0.722 7.183 7.785 1.00 10.00 H new ATOM 0 HB3 ALA A 28 0.345 5.523 7.267 1.00 10.00 H new ATOM 417 N CYS A 29 -2.519 4.756 6.918 1.00 10.00 N ATOM 418 CA CYS A 29 -3.387 3.885 6.143 1.00 10.00 C ATOM 419 C CYS A 29 -4.634 3.584 6.979 1.00 10.00 C ATOM 420 O CYS A 29 -5.751 3.885 6.563 1.00 10.00 O ATOM 421 CB CYS A 29 -2.667 2.606 5.711 1.00 10.00 C ATOM 422 SG CYS A 29 -0.848 2.759 5.575 1.00 10.00 S ATOM 0 H CYS A 29 -2.100 4.320 7.739 1.00 10.00 H new ATOM 0 HA CYS A 29 -3.680 4.387 5.221 1.00 10.00 H new ATOM 0 HB2 CYS A 29 -2.899 1.816 6.425 1.00 10.00 H new ATOM 0 HB3 CYS A 29 -3.064 2.290 4.746 1.00 10.00 H new ATOM 0 HG CYS A 29 -0.343 1.619 5.206 1.00 10.00 H new ATOM 427 N HIS A 30 -4.399 2.993 8.141 1.00 10.00 N ATOM 428 CA HIS A 30 -5.488 2.647 9.037 1.00 10.00 C ATOM 429 C HIS A 30 -6.124 3.924 9.589 1.00 10.00 C ATOM 430 O HIS A 30 -5.935 5.006 9.035 1.00 10.00 O ATOM 431 CB HIS A 30 -5.006 1.702 10.140 1.00 10.00 C ATOM 432 CG HIS A 30 -4.248 0.500 9.629 1.00 10.00 C ATOM 433 ND1 HIS A 30 -4.877 -0.630 9.136 1.00 10.00 N ATOM 434 CD2 HIS A 30 -2.908 0.264 9.539 1.00 10.00 C ATOM 435 CE1 HIS A 30 -3.947 -1.501 8.771 1.00 10.00 C ATOM 436 NE2 HIS A 30 -2.727 -0.945 9.021 1.00 10.00 N ATOM 0 H HIS A 30 -3.470 2.745 8.482 1.00 10.00 H new ATOM 0 HA HIS A 30 -6.258 2.107 8.486 1.00 10.00 H new ATOM 0 HB2 HIS A 30 -4.367 2.257 10.827 1.00 10.00 H new ATOM 0 HB3 HIS A 30 -5.867 1.359 10.713 1.00 10.00 H new ATOM 0 HD2 HIS A 30 -2.126 0.946 9.839 1.00 10.00 H new ATOM 0 HE1 HIS A 30 -4.124 -2.479 8.350 1.00 10.00 H new ATOM 0 HE2 HIS A 30 -1.825 -1.385 8.840 1.00 10.00 H new ATOM 444 N GLU A 31 -6.867 3.757 10.673 1.00 10.00 N ATOM 445 CA GLU A 31 -7.532 4.883 11.306 1.00 10.00 C ATOM 446 C GLU A 31 -8.039 4.490 12.695 1.00 10.00 C ATOM 447 O GLU A 31 -9.121 3.920 12.826 1.00 10.00 O ATOM 448 CB GLU A 31 -8.676 5.406 10.434 1.00 10.00 C ATOM 449 CG GLU A 31 -9.011 6.857 10.781 1.00 10.00 C ATOM 450 CD GLU A 31 -9.802 7.522 9.653 1.00 10.00 C ATOM 451 OE1 GLU A 31 -10.576 6.793 8.996 1.00 10.00 O ATOM 452 OE2 GLU A 31 -9.616 8.745 9.473 1.00 10.00 O ATOM 0 H GLU A 31 -7.023 2.858 11.129 1.00 10.00 H new ATOM 0 HA GLU A 31 -6.807 5.689 11.420 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -8.398 5.335 9.382 1.00 10.00 H new ATOM 0 HB3 GLU A 31 -9.559 4.782 10.573 1.00 10.00 H new ATOM 0 HG2 GLU A 31 -9.590 6.890 11.704 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -8.091 7.413 10.962 1.00 10.00 H new ATOM 459 N GLY A 32 -7.231 4.807 13.696 1.00 10.00 N ATOM 460 CA GLY A 32 -7.584 4.493 15.070 1.00 10.00 C ATOM 461 C GLY A 32 -7.903 3.006 15.228 1.00 10.00 C ATOM 462 O GLY A 32 -9.025 2.576 14.967 1.00 10.00 O ATOM 0 H GLY A 32 -6.333 5.278 13.583 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -6.761 4.764 15.732 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -8.446 5.088 15.373 1.00 10.00 H new ATOM 466 N THR A 33 -6.895 2.260 15.657 1.00 10.00 N ATOM 467 CA THR A 33 -7.054 0.829 15.853 1.00 10.00 C ATOM 468 C THR A 33 -7.238 0.123 14.507 1.00 10.00 C ATOM 469 O THR A 33 -8.309 0.197 13.906 1.00 10.00 O ATOM 470 CB THR A 33 -8.220 0.611 16.819 1.00 10.00 C ATOM 471 OG1 THR A 33 -7.862 1.366 17.972 1.00 10.00 O ATOM 472 CG2 THR A 33 -8.297 -0.831 17.327 1.00 10.00 C ATOM 0 H THR A 33 -5.966 2.620 15.874 1.00 10.00 H new ATOM 0 HA THR A 33 -6.160 0.388 16.295 1.00 10.00 H new ATOM 0 HB THR A 33 -9.155 0.872 16.324 1.00 10.00 H new ATOM 0 HG1 THR A 33 -8.565 1.282 18.649 1.00 10.00 H new ATOM 0 HG21 THR A 33 -9.141 -0.932 18.009 1.00 10.00 H new ATOM 0 HG22 THR A 33 -8.429 -1.508 16.483 1.00 10.00 H new ATOM 0 HG23 THR A 33 -7.375 -1.082 17.852 1.00 10.00 H new ATOM 480 N PRO A 34 -6.150 -0.562 14.064 1.00 10.00 N ATOM 481 CA PRO A 34 -6.182 -1.280 12.802 1.00 10.00 C ATOM 482 C PRO A 34 -6.989 -2.574 12.927 1.00 10.00 C ATOM 483 O PRO A 34 -7.614 -2.823 13.956 1.00 10.00 O ATOM 484 CB PRO A 34 -4.723 -1.521 12.449 1.00 10.00 C ATOM 485 CG PRO A 34 -3.947 -1.345 13.745 1.00 10.00 C ATOM 486 CD PRO A 34 -4.866 -0.672 14.751 1.00 10.00 C ATOM 0 HA PRO A 34 -6.682 -0.719 12.012 1.00 10.00 H new ATOM 0 HB2 PRO A 34 -4.580 -2.521 12.041 1.00 10.00 H new ATOM 0 HB3 PRO A 34 -4.383 -0.816 11.691 1.00 10.00 H new ATOM 0 HG2 PRO A 34 -3.610 -2.311 14.122 1.00 10.00 H new ATOM 0 HG3 PRO A 34 -3.056 -0.740 13.577 1.00 10.00 H new ATOM 0 HD2 PRO A 34 -4.954 -1.262 15.663 1.00 10.00 H new ATOM 0 HD3 PRO A 34 -4.486 0.308 15.040 1.00 10.00 H new ATOM 494 N ALA A 35 -6.949 -3.364 11.863 1.00 10.00 N ATOM 495 CA ALA A 35 -7.669 -4.626 11.841 1.00 10.00 C ATOM 496 C ALA A 35 -7.362 -5.360 10.534 1.00 10.00 C ATOM 497 O ALA A 35 -6.963 -6.523 10.551 1.00 10.00 O ATOM 498 CB ALA A 35 -9.165 -4.363 12.025 1.00 10.00 C ATOM 0 H ALA A 35 -6.429 -3.154 11.011 1.00 10.00 H new ATOM 0 HA ALA A 35 -7.347 -5.267 12.662 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -9.706 -5.309 12.009 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -9.332 -3.866 12.981 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -9.524 -3.726 11.217 1.00 10.00 H new ATOM 504 N LYS A 36 -7.560 -4.650 9.433 1.00 10.00 N ATOM 505 CA LYS A 36 -7.310 -5.220 8.120 1.00 10.00 C ATOM 506 C LYS A 36 -7.621 -4.175 7.047 1.00 10.00 C ATOM 507 O LYS A 36 -7.970 -3.039 7.366 1.00 10.00 O ATOM 508 CB LYS A 36 -8.085 -6.528 7.947 1.00 10.00 C ATOM 509 CG LYS A 36 -9.511 -6.260 7.461 1.00 10.00 C ATOM 510 CD LYS A 36 -9.710 -6.776 6.034 1.00 10.00 C ATOM 511 CE LYS A 36 -10.130 -8.248 6.037 1.00 10.00 C ATOM 512 NZ LYS A 36 -11.029 -8.533 4.898 1.00 10.00 N ATOM 0 H LYS A 36 -7.891 -3.685 9.423 1.00 10.00 H new ATOM 0 HA LYS A 36 -6.258 -5.483 8.014 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -7.568 -7.169 7.233 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -8.115 -7.065 8.895 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -10.224 -6.744 8.129 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -9.716 -5.190 7.497 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -10.469 -6.178 5.530 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -8.785 -6.659 5.469 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -9.247 -8.884 5.979 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -10.634 -8.487 6.974 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -11.304 -9.536 4.915 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -11.880 -7.939 4.970 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -10.536 -8.325 4.006 1.00 10.00 H new ATOM 526 N ILE A 37 -7.482 -4.595 5.799 1.00 10.00 N ATOM 527 CA ILE A 37 -7.743 -3.709 4.677 1.00 10.00 C ATOM 528 C ILE A 37 -8.132 -4.543 3.454 1.00 10.00 C ATOM 529 O ILE A 37 -7.587 -5.624 3.237 1.00 10.00 O ATOM 530 CB ILE A 37 -6.550 -2.782 4.436 1.00 10.00 C ATOM 531 CG1 ILE A 37 -6.209 -1.989 5.699 1.00 10.00 C ATOM 532 CG2 ILE A 37 -6.799 -1.869 3.234 1.00 10.00 C ATOM 533 CD1 ILE A 37 -5.134 -0.938 5.413 1.00 10.00 C ATOM 0 H ILE A 37 -7.192 -5.538 5.539 1.00 10.00 H new ATOM 0 HA ILE A 37 -8.586 -3.054 4.897 1.00 10.00 H new ATOM 0 HB ILE A 37 -5.682 -3.396 4.198 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -7.106 -1.502 6.080 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -5.860 -2.669 6.477 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -5.936 -1.220 3.085 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -6.955 -2.476 2.342 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -7.684 -1.259 3.417 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -4.910 -0.388 6.327 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -4.230 -1.430 5.055 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -5.495 -0.246 4.653 1.00 10.00 H new ATOM 545 N ALA A 38 -9.069 -4.008 2.686 1.00 10.00 N ATOM 546 CA ALA A 38 -9.536 -4.688 1.490 1.00 10.00 C ATOM 547 C ALA A 38 -8.439 -4.648 0.425 1.00 10.00 C ATOM 548 O ALA A 38 -8.333 -3.679 -0.325 1.00 10.00 O ATOM 549 CB ALA A 38 -10.838 -4.044 1.011 1.00 10.00 C ATOM 0 H ALA A 38 -9.518 -3.111 2.869 1.00 10.00 H new ATOM 0 HA ALA A 38 -9.750 -5.735 1.703 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -11.188 -4.555 0.114 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -11.593 -4.125 1.793 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -10.662 -2.992 0.785 1.00 10.00 H new ATOM 555 N ILE A 39 -7.651 -5.713 0.391 1.00 10.00 N ATOM 556 CA ILE A 39 -6.566 -5.811 -0.570 1.00 10.00 C ATOM 557 C ILE A 39 -6.826 -6.993 -1.506 1.00 10.00 C ATOM 558 O ILE A 39 -6.755 -8.148 -1.088 1.00 10.00 O ATOM 559 CB ILE A 39 -5.217 -5.881 0.149 1.00 10.00 C ATOM 560 CG1 ILE A 39 -5.070 -4.735 1.152 1.00 10.00 C ATOM 561 CG2 ILE A 39 -4.063 -5.917 -0.853 1.00 10.00 C ATOM 562 CD1 ILE A 39 -5.050 -3.382 0.438 1.00 10.00 C ATOM 0 H ILE A 39 -7.743 -6.516 1.014 1.00 10.00 H new ATOM 0 HA ILE A 39 -6.524 -4.915 -1.190 1.00 10.00 H new ATOM 0 HB ILE A 39 -5.180 -6.811 0.716 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -5.894 -4.762 1.864 1.00 10.00 H new ATOM 0 HG13 ILE A 39 -4.151 -4.863 1.723 1.00 10.00 H new ATOM 0 HG21 ILE A 39 -3.116 -5.967 -0.316 1.00 10.00 H new ATOM 0 HG22 ILE A 39 -4.164 -6.794 -1.493 1.00 10.00 H new ATOM 0 HG23 ILE A 39 -4.085 -5.016 -1.466 1.00 10.00 H new ATOM 0 HD11 ILE A 39 -4.945 -2.584 1.173 1.00 10.00 H new ATOM 0 HD12 ILE A 39 -4.210 -3.349 -0.256 1.00 10.00 H new ATOM 0 HD13 ILE A 39 -5.981 -3.247 -0.113 1.00 10.00 H new ATOM 574 N ASP A 40 -7.120 -6.663 -2.755 1.00 10.00 N ATOM 575 CA ASP A 40 -7.391 -7.683 -3.754 1.00 10.00 C ATOM 576 C ASP A 40 -7.514 -7.024 -5.129 1.00 10.00 C ATOM 577 O ASP A 40 -6.648 -7.198 -5.985 1.00 10.00 O ATOM 578 CB ASP A 40 -8.704 -8.410 -3.459 1.00 10.00 C ATOM 579 CG ASP A 40 -9.177 -9.365 -4.555 1.00 10.00 C ATOM 580 OD1 ASP A 40 -8.566 -10.452 -4.663 1.00 10.00 O ATOM 581 OD2 ASP A 40 -10.136 -8.989 -5.262 1.00 10.00 O ATOM 0 H ASP A 40 -7.176 -5.704 -3.098 1.00 10.00 H new ATOM 0 HA ASP A 40 -6.570 -8.400 -3.734 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -8.589 -8.973 -2.533 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -9.482 -7.666 -3.286 1.00 10.00 H new ATOM 586 N LYS A 41 -8.598 -6.282 -5.299 1.00 10.00 N ATOM 587 CA LYS A 41 -8.846 -5.596 -6.556 1.00 10.00 C ATOM 588 C LYS A 41 -9.976 -4.582 -6.364 1.00 10.00 C ATOM 589 O LYS A 41 -11.046 -4.721 -6.954 1.00 10.00 O ATOM 590 CB LYS A 41 -9.110 -6.606 -7.675 1.00 10.00 C ATOM 591 CG LYS A 41 -8.616 -6.073 -9.022 1.00 10.00 C ATOM 592 CD LYS A 41 -8.031 -7.200 -9.876 1.00 10.00 C ATOM 593 CE LYS A 41 -8.502 -7.088 -11.327 1.00 10.00 C ATOM 594 NZ LYS A 41 -7.975 -8.213 -12.131 1.00 10.00 N ATOM 0 H LYS A 41 -9.315 -6.141 -4.587 1.00 10.00 H new ATOM 0 HA LYS A 41 -7.963 -5.036 -6.865 1.00 10.00 H new ATOM 0 HB2 LYS A 41 -8.609 -7.547 -7.446 1.00 10.00 H new ATOM 0 HB3 LYS A 41 -10.177 -6.819 -7.733 1.00 10.00 H new ATOM 0 HG2 LYS A 41 -9.441 -5.599 -9.554 1.00 10.00 H new ATOM 0 HG3 LYS A 41 -7.859 -5.306 -8.858 1.00 10.00 H new ATOM 0 HD2 LYS A 41 -6.942 -7.162 -9.839 1.00 10.00 H new ATOM 0 HD3 LYS A 41 -8.330 -8.165 -9.466 1.00 10.00 H new ATOM 0 HE2 LYS A 41 -9.591 -7.087 -11.363 1.00 10.00 H new ATOM 0 HE3 LYS A 41 -8.168 -6.142 -11.752 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 -8.304 -8.122 -13.113 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 -6.935 -8.197 -12.111 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 -8.315 -9.112 -11.734 1.00 10.00 H new ATOM 608 N LYS A 42 -9.699 -3.585 -5.536 1.00 10.00 N ATOM 609 CA LYS A 42 -10.680 -2.549 -5.259 1.00 10.00 C ATOM 610 C LYS A 42 -10.033 -1.457 -4.405 1.00 10.00 C ATOM 611 O LYS A 42 -9.764 -0.361 -4.892 1.00 10.00 O ATOM 612 CB LYS A 42 -11.938 -3.155 -4.635 1.00 10.00 C ATOM 613 CG LYS A 42 -13.167 -2.293 -4.931 1.00 10.00 C ATOM 614 CD LYS A 42 -14.139 -3.025 -5.860 1.00 10.00 C ATOM 615 CE LYS A 42 -15.385 -2.180 -6.125 1.00 10.00 C ATOM 616 NZ LYS A 42 -16.610 -2.939 -5.784 1.00 10.00 N ATOM 0 H LYS A 42 -8.810 -3.473 -5.048 1.00 10.00 H new ATOM 0 HA LYS A 42 -11.009 -2.077 -6.185 1.00 10.00 H new ATOM 0 HB2 LYS A 42 -12.093 -4.161 -5.024 1.00 10.00 H new ATOM 0 HB3 LYS A 42 -11.805 -3.247 -3.557 1.00 10.00 H new ATOM 0 HG2 LYS A 42 -13.671 -2.039 -3.998 1.00 10.00 H new ATOM 0 HG3 LYS A 42 -12.856 -1.355 -5.391 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -13.643 -3.254 -6.803 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -14.429 -3.976 -5.413 1.00 10.00 H new ATOM 0 HE2 LYS A 42 -15.342 -1.264 -5.536 1.00 10.00 H new ATOM 0 HE3 LYS A 42 -15.414 -1.884 -7.174 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 -17.447 -2.350 -5.970 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -16.657 -3.801 -6.364 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -16.588 -3.200 -4.778 1.00 10.00 H new ATOM 630 N SER A 43 -9.803 -1.795 -3.144 1.00 10.00 N ATOM 631 CA SER A 43 -9.194 -0.857 -2.218 1.00 10.00 C ATOM 632 C SER A 43 -7.687 -0.778 -2.469 1.00 10.00 C ATOM 633 O SER A 43 -7.086 0.288 -2.331 1.00 10.00 O ATOM 634 CB SER A 43 -9.469 -1.259 -0.766 1.00 10.00 C ATOM 635 OG SER A 43 -10.153 -0.235 -0.050 1.00 10.00 O ATOM 0 H SER A 43 -10.028 -2.705 -2.743 1.00 10.00 H new ATOM 0 HA SER A 43 -9.636 0.125 -2.386 1.00 10.00 H new ATOM 0 HB2 SER A 43 -10.063 -2.172 -0.749 1.00 10.00 H new ATOM 0 HB3 SER A 43 -8.526 -1.483 -0.267 1.00 10.00 H new ATOM 0 HG SER A 43 -10.312 -0.530 0.871 1.00 10.00 H new ATOM 641 N ALA A 44 -7.119 -1.918 -2.835 1.00 10.00 N ATOM 642 CA ALA A 44 -5.693 -1.990 -3.106 1.00 10.00 C ATOM 643 C ALA A 44 -5.358 -1.079 -4.289 1.00 10.00 C ATOM 644 O ALA A 44 -4.187 -0.815 -4.561 1.00 10.00 O ATOM 645 CB ALA A 44 -5.296 -3.445 -3.360 1.00 10.00 C ATOM 0 H ALA A 44 -7.620 -2.799 -2.950 1.00 10.00 H new ATOM 0 HA ALA A 44 -5.120 -1.640 -2.247 1.00 10.00 H new ATOM 0 HB1 ALA A 44 -4.227 -3.500 -3.563 1.00 10.00 H new ATOM 0 HB2 ALA A 44 -5.529 -4.045 -2.480 1.00 10.00 H new ATOM 0 HB3 ALA A 44 -5.849 -3.829 -4.218 1.00 10.00 H new ATOM 651 N HIS A 45 -6.406 -0.625 -4.962 1.00 10.00 N ATOM 652 CA HIS A 45 -6.236 0.250 -6.109 1.00 10.00 C ATOM 653 C HIS A 45 -6.989 1.561 -5.870 1.00 10.00 C ATOM 654 O HIS A 45 -7.096 2.392 -6.770 1.00 10.00 O ATOM 655 CB HIS A 45 -6.666 -0.453 -7.397 1.00 10.00 C ATOM 656 CG HIS A 45 -5.548 -1.186 -8.099 1.00 10.00 C ATOM 657 ND1 HIS A 45 -5.189 -0.926 -9.411 1.00 10.00 N ATOM 658 CD2 HIS A 45 -4.712 -2.170 -7.659 1.00 10.00 C ATOM 659 CE1 HIS A 45 -4.183 -1.726 -9.735 1.00 10.00 C ATOM 660 NE2 HIS A 45 -3.889 -2.496 -8.648 1.00 10.00 N ATOM 0 H HIS A 45 -7.375 -0.847 -4.735 1.00 10.00 H new ATOM 0 HA HIS A 45 -5.181 0.494 -6.232 1.00 10.00 H new ATOM 0 HB2 HIS A 45 -7.461 -1.161 -7.164 1.00 10.00 H new ATOM 0 HB3 HIS A 45 -7.087 0.286 -8.079 1.00 10.00 H new ATOM 0 HD2 HIS A 45 -4.719 -2.610 -6.673 1.00 10.00 H new ATOM 0 HE1 HIS A 45 -3.684 -1.762 -10.692 1.00 10.00 H new ATOM 0 HE2 HIS A 45 -3.157 -3.205 -8.603 1.00 10.00 H new ATOM 668 N LYS A 46 -7.490 1.704 -4.651 1.00 10.00 N ATOM 669 CA LYS A 46 -8.230 2.900 -4.283 1.00 10.00 C ATOM 670 C LYS A 46 -7.796 3.352 -2.888 1.00 10.00 C ATOM 671 O LYS A 46 -6.624 3.653 -2.665 1.00 10.00 O ATOM 672 CB LYS A 46 -9.735 2.659 -4.410 1.00 10.00 C ATOM 673 CG LYS A 46 -10.137 2.461 -5.873 1.00 10.00 C ATOM 674 CD LYS A 46 -11.658 2.383 -6.018 1.00 10.00 C ATOM 675 CE LYS A 46 -12.248 3.758 -6.343 1.00 10.00 C ATOM 676 NZ LYS A 46 -13.648 3.846 -5.868 1.00 10.00 N ATOM 0 H LYS A 46 -7.398 1.013 -3.907 1.00 10.00 H new ATOM 0 HA LYS A 46 -8.002 3.716 -4.969 1.00 10.00 H new ATOM 0 HB2 LYS A 46 -10.016 1.780 -3.830 1.00 10.00 H new ATOM 0 HB3 LYS A 46 -10.279 3.505 -3.991 1.00 10.00 H new ATOM 0 HG2 LYS A 46 -9.753 3.285 -6.474 1.00 10.00 H new ATOM 0 HG3 LYS A 46 -9.684 1.547 -6.258 1.00 10.00 H new ATOM 0 HD2 LYS A 46 -11.916 1.677 -6.807 1.00 10.00 H new ATOM 0 HD3 LYS A 46 -12.096 2.004 -5.095 1.00 10.00 H new ATOM 0 HE2 LYS A 46 -11.649 4.538 -5.873 1.00 10.00 H new ATOM 0 HE3 LYS A 46 -12.211 3.931 -7.418 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 -14.034 4.785 -6.096 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -14.220 3.114 -6.335 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -13.675 3.702 -4.838 1.00 10.00 H new ATOM 690 N ASP A 47 -8.763 3.387 -1.983 1.00 10.00 N ATOM 691 CA ASP A 47 -8.496 3.799 -0.616 1.00 10.00 C ATOM 692 C ASP A 47 -7.123 3.275 -0.190 1.00 10.00 C ATOM 693 O ASP A 47 -6.177 4.048 -0.047 1.00 10.00 O ATOM 694 CB ASP A 47 -9.540 3.226 0.345 1.00 10.00 C ATOM 695 CG ASP A 47 -10.173 4.247 1.294 1.00 10.00 C ATOM 696 OD1 ASP A 47 -9.570 4.480 2.362 1.00 10.00 O ATOM 697 OD2 ASP A 47 -11.248 4.770 0.927 1.00 10.00 O ATOM 0 H ASP A 47 -9.734 3.136 -2.170 1.00 10.00 H new ATOM 0 HA ASP A 47 -8.530 4.888 -0.578 1.00 10.00 H new ATOM 0 HB2 ASP A 47 -10.331 2.756 -0.239 1.00 10.00 H new ATOM 0 HB3 ASP A 47 -9.073 2.440 0.939 1.00 10.00 H new ATOM 702 N ALA A 48 -7.058 1.966 0.001 1.00 10.00 N ATOM 703 CA ALA A 48 -5.816 1.330 0.408 1.00 10.00 C ATOM 704 C ALA A 48 -4.635 2.103 -0.181 1.00 10.00 C ATOM 705 O ALA A 48 -3.963 2.851 0.528 1.00 10.00 O ATOM 706 CB ALA A 48 -5.827 -0.137 -0.028 1.00 10.00 C ATOM 0 H ALA A 48 -7.845 1.328 -0.118 1.00 10.00 H new ATOM 0 HA ALA A 48 -5.714 1.348 1.493 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -4.896 -0.614 0.277 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -6.668 -0.649 0.440 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -5.926 -0.194 -1.112 1.00 10.00 H new ATOM 712 N CYS A 49 -4.417 1.897 -1.471 1.00 10.00 N ATOM 713 CA CYS A 49 -3.328 2.566 -2.164 1.00 10.00 C ATOM 714 C CYS A 49 -3.862 3.876 -2.746 1.00 10.00 C ATOM 715 O CYS A 49 -4.538 4.636 -2.055 1.00 10.00 O ATOM 716 CB CYS A 49 -2.709 1.673 -3.240 1.00 10.00 C ATOM 717 SG CYS A 49 -2.089 0.060 -2.637 1.00 10.00 S ATOM 0 H CYS A 49 -4.976 1.276 -2.056 1.00 10.00 H new ATOM 0 HA CYS A 49 -2.525 2.784 -1.460 1.00 10.00 H new ATOM 0 HB2 CYS A 49 -3.454 1.493 -4.015 1.00 10.00 H new ATOM 0 HB3 CYS A 49 -1.885 2.211 -3.708 1.00 10.00 H new ATOM 0 HG CYS A 49 -2.756 -0.901 -3.204 1.00 10.00 H new ATOM 722 N LYS A 50 -3.540 4.099 -4.011 1.00 10.00 N ATOM 723 CA LYS A 50 -3.979 5.304 -4.694 1.00 10.00 C ATOM 724 C LYS A 50 -3.938 6.482 -3.719 1.00 10.00 C ATOM 725 O LYS A 50 -4.752 7.399 -3.814 1.00 10.00 O ATOM 726 CB LYS A 50 -5.349 5.085 -5.339 1.00 10.00 C ATOM 727 CG LYS A 50 -5.207 4.509 -6.749 1.00 10.00 C ATOM 728 CD LYS A 50 -4.420 5.461 -7.653 1.00 10.00 C ATOM 729 CE LYS A 50 -5.255 5.883 -8.863 1.00 10.00 C ATOM 730 NZ LYS A 50 -4.921 7.267 -9.267 1.00 10.00 N ATOM 0 H LYS A 50 -2.980 3.465 -4.581 1.00 10.00 H new ATOM 0 HA LYS A 50 -3.302 5.546 -5.513 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -5.940 4.407 -4.723 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -5.890 6.030 -5.382 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -4.701 3.544 -6.703 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -6.195 4.331 -7.174 1.00 10.00 H new ATOM 0 HD2 LYS A 50 -4.122 6.343 -7.086 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -3.505 4.975 -7.990 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -5.072 5.201 -9.694 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -6.316 5.814 -8.622 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -5.497 7.537 -10.090 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -5.118 7.916 -8.478 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -3.913 7.322 -9.517 1.00 10.00 H new ATOM 744 N THR A 51 -2.982 6.418 -2.804 1.00 10.00 N ATOM 745 CA THR A 51 -2.825 7.468 -1.812 1.00 10.00 C ATOM 746 C THR A 51 -1.369 7.552 -1.351 1.00 10.00 C ATOM 747 O THR A 51 -0.577 6.647 -1.614 1.00 10.00 O ATOM 748 CB THR A 51 -3.808 7.193 -0.672 1.00 10.00 C ATOM 749 OG1 THR A 51 -3.799 8.395 0.092 1.00 10.00 O ATOM 750 CG2 THR A 51 -3.295 6.129 0.300 1.00 10.00 C ATOM 0 H THR A 51 -2.309 5.656 -2.729 1.00 10.00 H new ATOM 0 HA THR A 51 -3.058 8.447 -2.232 1.00 10.00 H new ATOM 0 HB THR A 51 -4.764 6.874 -1.087 1.00 10.00 H new ATOM 0 HG1 THR A 51 -4.412 8.304 0.852 1.00 10.00 H new ATOM 0 HG21 THR A 51 -4.030 5.972 1.089 1.00 10.00 H new ATOM 0 HG22 THR A 51 -3.133 5.194 -0.236 1.00 10.00 H new ATOM 0 HG23 THR A 51 -2.355 6.462 0.741 1.00 10.00 H new ATOM 758 N CYS A 52 -1.059 8.646 -0.672 1.00 10.00 N ATOM 759 CA CYS A 52 0.288 8.861 -0.171 1.00 10.00 C ATOM 760 C CYS A 52 1.276 8.270 -1.180 1.00 10.00 C ATOM 761 O CYS A 52 1.891 7.237 -0.921 1.00 10.00 O ATOM 762 CB CYS A 52 0.475 8.264 1.225 1.00 10.00 C ATOM 763 SG CYS A 52 2.211 8.182 1.799 1.00 10.00 S ATOM 0 H CYS A 52 -1.718 9.394 -0.457 1.00 10.00 H new ATOM 0 HA CYS A 52 0.472 9.930 -0.065 1.00 10.00 H new ATOM 0 HB2 CYS A 52 -0.101 8.855 1.937 1.00 10.00 H new ATOM 0 HB3 CYS A 52 0.056 7.258 1.233 1.00 10.00 H new ATOM 0 HG CYS A 52 2.963 7.725 0.842 1.00 10.00 H new ATOM 768 N HIS A 53 1.395 8.951 -2.311 1.00 10.00 N ATOM 769 CA HIS A 53 2.295 8.506 -3.361 1.00 10.00 C ATOM 770 C HIS A 53 2.204 9.459 -4.554 1.00 10.00 C ATOM 771 O HIS A 53 3.206 9.738 -5.209 1.00 10.00 O ATOM 772 CB HIS A 53 2.012 7.052 -3.741 1.00 10.00 C ATOM 773 CG HIS A 53 2.938 6.054 -3.086 1.00 10.00 C ATOM 774 ND1 HIS A 53 4.268 5.919 -3.445 1.00 10.00 N ATOM 775 CD2 HIS A 53 2.712 5.147 -2.093 1.00 10.00 C ATOM 776 CE1 HIS A 53 4.808 4.969 -2.695 1.00 10.00 C ATOM 777 NE2 HIS A 53 3.844 4.492 -1.858 1.00 10.00 N ATOM 0 H HIS A 53 0.883 9.807 -2.523 1.00 10.00 H new ATOM 0 HA HIS A 53 3.322 8.532 -2.998 1.00 10.00 H new ATOM 0 HB2 HIS A 53 0.984 6.810 -3.471 1.00 10.00 H new ATOM 0 HB3 HIS A 53 2.090 6.948 -4.823 1.00 10.00 H new ATOM 0 HD2 HIS A 53 1.773 4.988 -1.584 1.00 10.00 H new ATOM 0 HE1 HIS A 53 5.833 4.632 -2.739 1.00 10.00 H new ATOM 0 HE2 HIS A 53 3.971 3.754 -1.165 1.00 10.00 H new ATOM 785 N LYS A 54 0.991 9.933 -4.799 1.00 10.00 N ATOM 786 CA LYS A 54 0.754 10.849 -5.902 1.00 10.00 C ATOM 787 C LYS A 54 1.910 11.847 -5.987 1.00 10.00 C ATOM 788 O LYS A 54 2.256 12.312 -7.072 1.00 10.00 O ATOM 789 CB LYS A 54 -0.619 11.509 -5.766 1.00 10.00 C ATOM 790 CG LYS A 54 -1.738 10.470 -5.857 1.00 10.00 C ATOM 791 CD LYS A 54 -3.097 11.098 -5.540 1.00 10.00 C ATOM 792 CE LYS A 54 -3.397 11.027 -4.041 1.00 10.00 C ATOM 793 NZ LYS A 54 -4.852 10.883 -3.810 1.00 10.00 N ATOM 0 H LYS A 54 0.162 9.700 -4.253 1.00 10.00 H new ATOM 0 HA LYS A 54 0.729 10.308 -6.848 1.00 10.00 H new ATOM 0 HB2 LYS A 54 -0.682 12.033 -4.813 1.00 10.00 H new ATOM 0 HB3 LYS A 54 -0.747 12.256 -6.550 1.00 10.00 H new ATOM 0 HG2 LYS A 54 -1.758 10.038 -6.858 1.00 10.00 H new ATOM 0 HG3 LYS A 54 -1.539 9.654 -5.162 1.00 10.00 H new ATOM 0 HD2 LYS A 54 -3.107 12.138 -5.868 1.00 10.00 H new ATOM 0 HD3 LYS A 54 -3.879 10.581 -6.096 1.00 10.00 H new ATOM 0 HE2 LYS A 54 -2.867 10.184 -3.598 1.00 10.00 H new ATOM 0 HE3 LYS A 54 -3.032 11.928 -3.548 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 -5.038 10.836 -2.788 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 -5.351 11.701 -4.216 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 -5.191 10.011 -4.264 1.00 10.00 H new ATOM 807 N SER A 55 2.477 12.149 -4.827 1.00 10.00 N ATOM 808 CA SER A 55 3.587 13.084 -4.758 1.00 10.00 C ATOM 809 C SER A 55 4.868 12.346 -4.362 1.00 10.00 C ATOM 810 O SER A 55 5.801 12.245 -5.157 1.00 10.00 O ATOM 811 CB SER A 55 3.296 14.211 -3.764 1.00 10.00 C ATOM 812 OG SER A 55 3.532 15.496 -4.332 1.00 10.00 O ATOM 0 H SER A 55 2.188 11.763 -3.928 1.00 10.00 H new ATOM 0 HA SER A 55 3.721 13.530 -5.744 1.00 10.00 H new ATOM 0 HB2 SER A 55 2.259 14.145 -3.434 1.00 10.00 H new ATOM 0 HB3 SER A 55 3.921 14.085 -2.880 1.00 10.00 H new ATOM 0 HG SER A 55 3.334 16.189 -3.668 1.00 10.00 H new ATOM 818 N ASN A 56 4.872 11.848 -3.134 1.00 10.00 N ATOM 819 CA ASN A 56 6.023 11.123 -2.624 1.00 10.00 C ATOM 820 C ASN A 56 6.378 9.993 -3.593 1.00 10.00 C ATOM 821 O ASN A 56 5.536 9.548 -4.369 1.00 10.00 O ATOM 822 CB ASN A 56 5.720 10.498 -1.261 1.00 10.00 C ATOM 823 CG ASN A 56 5.284 11.563 -0.254 1.00 10.00 C ATOM 824 OD1 ASN A 56 5.930 12.581 -0.068 1.00 10.00 O ATOM 825 ND2 ASN A 56 4.153 11.275 0.384 1.00 10.00 N ATOM 0 H ASN A 56 4.096 11.932 -2.477 1.00 10.00 H new ATOM 0 HA ASN A 56 6.848 11.828 -2.523 1.00 10.00 H new ATOM 0 HB2 ASN A 56 4.935 9.749 -1.367 1.00 10.00 H new ATOM 0 HB3 ASN A 56 6.605 9.981 -0.889 1.00 10.00 H new ATOM 0 HD21 ASN A 56 3.778 11.924 1.076 1.00 10.00 H new ATOM 0 HD22 ASN A 56 3.661 10.405 0.182 1.00 10.00 H new ATOM 832 N ASN A 57 7.629 9.563 -3.516 1.00 10.00 N ATOM 833 CA ASN A 57 8.108 8.494 -4.377 1.00 10.00 C ATOM 834 C ASN A 57 8.230 9.016 -5.810 1.00 10.00 C ATOM 835 O ASN A 57 9.336 9.209 -6.312 1.00 10.00 O ATOM 836 CB ASN A 57 7.133 7.315 -4.384 1.00 10.00 C ATOM 837 CG ASN A 57 7.852 6.007 -4.051 1.00 10.00 C ATOM 838 OD1 ASN A 57 8.036 5.140 -4.890 1.00 10.00 O ATOM 839 ND2 ASN A 57 8.248 5.913 -2.785 1.00 10.00 N ATOM 0 H ASN A 57 8.326 9.935 -2.871 1.00 10.00 H new ATOM 0 HA ASN A 57 9.074 8.161 -3.997 1.00 10.00 H new ATOM 0 HB2 ASN A 57 6.338 7.492 -3.660 1.00 10.00 H new ATOM 0 HB3 ASN A 57 6.660 7.235 -5.363 1.00 10.00 H new ATOM 0 HD21 ASN A 57 8.738 5.078 -2.465 1.00 10.00 H new ATOM 0 HD22 ASN A 57 8.062 6.676 -2.134 1.00 10.00 H new ATOM 846 N GLY A 58 7.077 9.229 -6.429 1.00 10.00 N ATOM 847 CA GLY A 58 7.042 9.725 -7.794 1.00 10.00 C ATOM 848 C GLY A 58 6.077 8.901 -8.650 1.00 10.00 C ATOM 849 O GLY A 58 5.027 9.396 -9.058 1.00 10.00 O ATOM 0 H GLY A 58 6.161 9.067 -6.010 1.00 10.00 H new ATOM 0 HA2 GLY A 58 6.735 10.771 -7.797 1.00 10.00 H new ATOM 0 HA3 GLY A 58 8.042 9.685 -8.225 1.00 10.00 H new ATOM 853 N PRO A 59 6.478 7.627 -8.904 1.00 10.00 N ATOM 854 CA PRO A 59 5.661 6.731 -9.704 1.00 10.00 C ATOM 855 C PRO A 59 4.455 6.229 -8.907 1.00 10.00 C ATOM 856 O PRO A 59 4.614 5.610 -7.857 1.00 10.00 O ATOM 857 CB PRO A 59 6.601 5.613 -10.125 1.00 10.00 C ATOM 858 CG PRO A 59 7.781 5.677 -9.168 1.00 10.00 C ATOM 859 CD PRO A 59 7.715 7.008 -8.436 1.00 10.00 C ATOM 0 HA PRO A 59 5.230 7.222 -10.577 1.00 10.00 H new ATOM 0 HB2 PRO A 59 6.105 4.644 -10.069 1.00 10.00 H new ATOM 0 HB3 PRO A 59 6.927 5.745 -11.157 1.00 10.00 H new ATOM 0 HG2 PRO A 59 7.743 4.849 -8.460 1.00 10.00 H new ATOM 0 HG3 PRO A 59 8.720 5.587 -9.714 1.00 10.00 H new ATOM 0 HD2 PRO A 59 7.702 6.866 -7.355 1.00 10.00 H new ATOM 0 HD3 PRO A 59 8.580 7.630 -8.666 1.00 10.00 H new ATOM 867 N THR A 60 3.275 6.517 -9.438 1.00 10.00 N ATOM 868 CA THR A 60 2.043 6.103 -8.790 1.00 10.00 C ATOM 869 C THR A 60 1.290 5.100 -9.667 1.00 10.00 C ATOM 870 O THR A 60 0.724 4.132 -9.163 1.00 10.00 O ATOM 871 CB THR A 60 1.232 7.360 -8.470 1.00 10.00 C ATOM 872 OG1 THR A 60 0.982 7.946 -9.744 1.00 10.00 O ATOM 873 CG2 THR A 60 2.056 8.416 -7.729 1.00 10.00 C ATOM 0 H THR A 60 3.147 7.032 -10.309 1.00 10.00 H new ATOM 0 HA THR A 60 2.244 5.582 -7.854 1.00 10.00 H new ATOM 0 HB THR A 60 0.365 7.088 -7.868 1.00 10.00 H new ATOM 0 HG1 THR A 60 0.459 8.767 -9.630 1.00 10.00 H new ATOM 0 HG21 THR A 60 1.433 9.287 -7.526 1.00 10.00 H new ATOM 0 HG22 THR A 60 2.417 8.001 -6.788 1.00 10.00 H new ATOM 0 HG23 THR A 60 2.905 8.713 -8.344 1.00 10.00 H new ATOM 881 N LYS A 61 1.306 5.369 -10.965 1.00 10.00 N ATOM 882 CA LYS A 61 0.631 4.503 -11.916 1.00 10.00 C ATOM 883 C LYS A 61 1.428 3.207 -12.073 1.00 10.00 C ATOM 884 O LYS A 61 2.085 2.759 -11.134 1.00 10.00 O ATOM 885 CB LYS A 61 0.391 5.241 -13.234 1.00 10.00 C ATOM 886 CG LYS A 61 1.701 5.433 -14.002 1.00 10.00 C ATOM 887 CD LYS A 61 1.573 6.558 -15.031 1.00 10.00 C ATOM 888 CE LYS A 61 2.461 6.292 -16.248 1.00 10.00 C ATOM 889 NZ LYS A 61 2.791 7.560 -16.937 1.00 10.00 N ATOM 0 H LYS A 61 1.776 6.174 -11.379 1.00 10.00 H new ATOM 0 HA LYS A 61 -0.357 4.227 -11.547 1.00 10.00 H new ATOM 0 HB2 LYS A 61 -0.315 4.679 -13.846 1.00 10.00 H new ATOM 0 HB3 LYS A 61 -0.063 6.212 -13.034 1.00 10.00 H new ATOM 0 HG2 LYS A 61 2.506 5.664 -13.304 1.00 10.00 H new ATOM 0 HG3 LYS A 61 1.972 4.504 -14.505 1.00 10.00 H new ATOM 0 HD2 LYS A 61 0.534 6.649 -15.348 1.00 10.00 H new ATOM 0 HD3 LYS A 61 1.852 7.507 -14.574 1.00 10.00 H new ATOM 0 HE2 LYS A 61 3.378 5.793 -15.934 1.00 10.00 H new ATOM 0 HE3 LYS A 61 1.951 5.619 -16.937 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 3.394 7.361 -17.760 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 1.914 8.021 -17.253 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 3.297 8.190 -16.282 1.00 10.00 H new ATOM 903 N CYS A 62 1.345 2.640 -13.268 1.00 10.00 N ATOM 904 CA CYS A 62 2.051 1.403 -13.560 1.00 10.00 C ATOM 905 C CYS A 62 3.529 1.603 -13.224 1.00 10.00 C ATOM 906 O CYS A 62 3.971 2.727 -12.993 1.00 10.00 O ATOM 907 CB CYS A 62 1.850 0.967 -15.013 1.00 10.00 C ATOM 908 SG CYS A 62 0.763 -0.489 -15.233 1.00 10.00 S ATOM 0 H CYS A 62 0.800 3.014 -14.045 1.00 10.00 H new ATOM 0 HA CYS A 62 1.646 0.597 -12.948 1.00 10.00 H new ATOM 0 HB2 CYS A 62 1.432 1.803 -15.574 1.00 10.00 H new ATOM 0 HB3 CYS A 62 2.824 0.745 -15.449 1.00 10.00 H new ATOM 0 HG CYS A 62 0.662 -0.768 -16.499 1.00 10.00 H new ATOM 913 N GLY A 63 4.255 0.494 -13.207 1.00 10.00 N ATOM 914 CA GLY A 63 5.675 0.533 -12.903 1.00 10.00 C ATOM 915 C GLY A 63 5.940 1.332 -11.625 1.00 10.00 C ATOM 916 O GLY A 63 6.988 1.962 -11.490 1.00 10.00 O ATOM 0 H GLY A 63 3.886 -0.437 -13.399 1.00 10.00 H new ATOM 0 HA2 GLY A 63 6.054 -0.482 -12.786 1.00 10.00 H new ATOM 0 HA3 GLY A 63 6.217 0.982 -13.736 1.00 10.00 H new ATOM 920 N GLY A 64 4.974 1.280 -10.721 1.00 10.00 N ATOM 921 CA GLY A 64 5.089 1.992 -9.460 1.00 10.00 C ATOM 922 C GLY A 64 5.399 1.027 -8.314 1.00 10.00 C ATOM 923 O GLY A 64 6.447 1.130 -7.678 1.00 10.00 O ATOM 0 H GLY A 64 4.107 0.755 -10.837 1.00 10.00 H new ATOM 0 HA2 GLY A 64 5.876 2.742 -9.532 1.00 10.00 H new ATOM 0 HA3 GLY A 64 4.160 2.524 -9.252 1.00 10.00 H new ATOM 927 N CYS A 65 4.470 0.111 -8.084 1.00 10.00 N ATOM 928 CA CYS A 65 4.632 -0.870 -7.025 1.00 10.00 C ATOM 929 C CYS A 65 4.896 -2.233 -7.670 1.00 10.00 C ATOM 930 O CYS A 65 5.862 -2.911 -7.324 1.00 10.00 O ATOM 931 CB CYS A 65 3.418 -0.904 -6.095 1.00 10.00 C ATOM 932 SG CYS A 65 1.808 -0.638 -6.924 1.00 10.00 S ATOM 0 H CYS A 65 3.602 0.028 -8.613 1.00 10.00 H new ATOM 0 HA CYS A 65 5.480 -0.595 -6.397 1.00 10.00 H new ATOM 0 HB2 CYS A 65 3.394 -1.868 -5.587 1.00 10.00 H new ATOM 0 HB3 CYS A 65 3.545 -0.142 -5.326 1.00 10.00 H new ATOM 0 HG CYS A 65 0.853 -0.690 -6.044 1.00 10.00 H new ATOM 937 N HIS A 66 4.018 -2.593 -8.595 1.00 10.00 N ATOM 938 CA HIS A 66 4.144 -3.863 -9.291 1.00 10.00 C ATOM 939 C HIS A 66 5.557 -3.995 -9.865 1.00 10.00 C ATOM 940 O HIS A 66 6.082 -3.051 -10.455 1.00 10.00 O ATOM 941 CB HIS A 66 3.055 -4.010 -10.355 1.00 10.00 C ATOM 942 CG HIS A 66 1.755 -4.571 -9.830 1.00 10.00 C ATOM 943 ND1 HIS A 66 1.652 -5.838 -9.284 1.00 10.00 N ATOM 944 CD2 HIS A 66 0.507 -4.025 -9.772 1.00 10.00 C ATOM 945 CE1 HIS A 66 0.394 -6.036 -8.919 1.00 10.00 C ATOM 946 NE2 HIS A 66 -0.315 -4.911 -9.223 1.00 10.00 N ATOM 0 H HIS A 66 3.217 -2.028 -8.879 1.00 10.00 H new ATOM 0 HA HIS A 66 3.996 -4.683 -8.589 1.00 10.00 H new ATOM 0 HB2 HIS A 66 2.864 -3.034 -10.802 1.00 10.00 H new ATOM 0 HB3 HIS A 66 3.424 -4.658 -11.150 1.00 10.00 H new ATOM 0 HD1 HIS A 66 2.415 -6.506 -9.180 1.00 10.00 H new ATOM 0 HD2 HIS A 66 0.233 -3.038 -10.115 1.00 10.00 H new ATOM 0 HE1 HIS A 66 -0.001 -6.931 -8.461 1.00 10.00 H new ATOM 954 N ILE A 67 6.130 -5.174 -9.675 1.00 10.00 N ATOM 955 CA ILE A 67 7.471 -5.442 -10.167 1.00 10.00 C ATOM 956 C ILE A 67 7.386 -5.987 -11.594 1.00 10.00 C ATOM 957 O ILE A 67 7.205 -7.187 -11.794 1.00 10.00 O ATOM 958 CB ILE A 67 8.222 -6.360 -9.202 1.00 10.00 C ATOM 959 CG1 ILE A 67 8.603 -5.615 -7.921 1.00 10.00 C ATOM 960 CG2 ILE A 67 9.439 -6.991 -9.880 1.00 10.00 C ATOM 961 CD1 ILE A 67 8.954 -6.595 -6.800 1.00 10.00 C ATOM 0 H ILE A 67 5.691 -5.955 -9.187 1.00 10.00 H new ATOM 0 HA ILE A 67 8.052 -4.521 -10.211 1.00 10.00 H new ATOM 0 HB ILE A 67 7.555 -7.173 -8.916 1.00 10.00 H new ATOM 0 HG12 ILE A 67 9.453 -4.961 -8.116 1.00 10.00 H new ATOM 0 HG13 ILE A 67 7.776 -4.979 -7.607 1.00 10.00 H new ATOM 0 HG21 ILE A 67 9.955 -7.639 -9.172 1.00 10.00 H new ATOM 0 HG22 ILE A 67 9.113 -7.578 -10.738 1.00 10.00 H new ATOM 0 HG23 ILE A 67 10.117 -6.206 -10.214 1.00 10.00 H new ATOM 0 HD11 ILE A 67 9.221 -6.039 -5.901 1.00 10.00 H new ATOM 0 HD12 ILE A 67 8.094 -7.232 -6.591 1.00 10.00 H new ATOM 0 HD13 ILE A 67 9.797 -7.213 -7.108 1.00 10.00 H new ATOM 973 N LYS A 68 7.521 -5.079 -12.549 1.00 10.00 N ATOM 974 CA LYS A 68 7.462 -5.454 -13.952 1.00 10.00 C ATOM 975 C LYS A 68 8.852 -5.893 -14.417 1.00 10.00 C ATOM 976 O LYS A 68 9.640 -6.410 -13.627 1.00 10.00 O ATOM 977 CB LYS A 68 6.864 -4.318 -14.785 1.00 10.00 C ATOM 978 CG LYS A 68 7.864 -3.172 -14.946 1.00 10.00 C ATOM 979 CD LYS A 68 7.200 -1.822 -14.669 1.00 10.00 C ATOM 980 CE LYS A 68 7.512 -0.818 -15.781 1.00 10.00 C ATOM 981 NZ LYS A 68 8.501 0.181 -15.314 1.00 10.00 N ATOM 0 H LYS A 68 7.671 -4.084 -12.379 1.00 10.00 H new ATOM 0 HA LYS A 68 6.796 -6.305 -14.092 1.00 10.00 H new ATOM 0 HB2 LYS A 68 6.576 -4.695 -15.766 1.00 10.00 H new ATOM 0 HB3 LYS A 68 5.957 -3.949 -14.306 1.00 10.00 H new ATOM 0 HG2 LYS A 68 8.701 -3.316 -14.263 1.00 10.00 H new ATOM 0 HG3 LYS A 68 8.272 -3.180 -15.957 1.00 10.00 H new ATOM 0 HD2 LYS A 68 6.121 -1.954 -14.586 1.00 10.00 H new ATOM 0 HD3 LYS A 68 7.548 -1.431 -13.713 1.00 10.00 H new ATOM 0 HE2 LYS A 68 7.900 -1.342 -16.654 1.00 10.00 H new ATOM 0 HE3 LYS A 68 6.597 -0.315 -16.092 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 9.115 0.458 -16.106 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 8.003 1.019 -14.952 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 9.080 -0.232 -14.555 1.00 10.00 H new