USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 732 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 20 SER OG : rot 180:sc= -0.694 USER MOD Set 1.2: A 33 THR OG1 : rot 133:sc= 0.272 USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -109:sc=-0.00671 (180deg=-0.18) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -170:sc= -2.01 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -6.9! C(o=-6.9!,f=-6.9!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 66:sc= -1.03 USER MOD Single : A 26 HIS : no HD1:sc= -0.0364 X(o=-0.036,f=0) USER MOD Single : A 27 HIS : no HD1:sc= -2.55 K(o=-2.5,f=-5.5!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HE2:sc= 0.329 K(o=0.33,f=-7.1!) USER MOD Single : A 49 GLN : amide:sc= -2.64 K(o=-2.6,f=-1.1) USER MOD Single : A 55 THR OG1 : rot -160:sc= -0.0144 USER MOD Single : A 57 ASN : amide:sc= -0.162 K(o=-0.16,f=-2.7!) USER MOD Single : A 63 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-0.24) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0999 USER MOD Single : A 71 SER OG : rot 73:sc= 0.299 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.0887 K(o=-0.089,f=-3.3!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 166:sc= -1.02 (180deg=-1.29) USER MOD Single : A 89 LYS NZ :NH3+ -115:sc= -0.0104 (180deg=-0.278) USER MOD Single : A 91 SER OG : rot 180:sc= 0.394 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -10.862 4.768 17.695 1.00 0.00 N ATOM 2 CA ASP A 1 -10.322 3.640 16.882 1.00 0.00 C ATOM 3 C ASP A 1 -8.807 3.784 16.719 1.00 0.00 C ATOM 4 O ASP A 1 -8.289 4.879 16.596 1.00 0.00 O ATOM 5 CB ASP A 1 -11.021 3.758 15.528 1.00 0.00 C ATOM 6 CG ASP A 1 -11.129 2.374 14.886 1.00 0.00 C ATOM 7 OD1 ASP A 1 -10.124 1.684 14.840 1.00 0.00 O ATOM 8 OD2 ASP A 1 -12.215 2.027 14.451 1.00 0.00 O ATOM 0 H1 ASP A 1 -11.891 4.660 17.799 1.00 0.00 H new ATOM 0 H2 ASP A 1 -10.417 4.763 18.635 1.00 0.00 H new ATOM 0 H3 ASP A 1 -10.655 5.669 17.219 1.00 0.00 H new ATOM 0 HA ASP A 1 -10.500 2.671 17.349 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -12.014 4.189 15.656 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -10.463 4.430 14.876 1.00 0.00 H new ATOM 13 N LYS A 2 -8.099 2.683 16.678 1.00 0.00 N ATOM 14 CA LYS A 2 -6.621 2.743 16.477 1.00 0.00 C ATOM 15 C LYS A 2 -6.128 1.467 15.789 1.00 0.00 C ATOM 16 O LYS A 2 -4.991 1.065 15.950 1.00 0.00 O ATOM 17 CB LYS A 2 -6.034 2.855 17.884 1.00 0.00 C ATOM 18 CG LYS A 2 -4.822 3.788 17.861 1.00 0.00 C ATOM 19 CD LYS A 2 -4.668 4.460 19.227 1.00 0.00 C ATOM 20 CE LYS A 2 -3.464 5.404 19.200 1.00 0.00 C ATOM 21 NZ LYS A 2 -4.038 6.750 18.922 1.00 0.00 N ATOM 0 H LYS A 2 -8.483 1.743 16.775 1.00 0.00 H new ATOM 0 HA LYS A 2 -6.324 3.579 15.844 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -6.787 3.237 18.574 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -5.740 1.870 18.246 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -3.921 3.225 17.617 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -4.946 4.543 17.085 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -5.573 5.015 19.475 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -4.534 3.705 20.002 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -2.930 5.391 20.150 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -2.750 5.112 18.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -3.273 7.453 18.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -4.534 6.734 18.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -4.708 7.004 19.675 1.00 0.00 H new ATOM 35 N ASP A 3 -6.966 0.851 14.993 1.00 0.00 N ATOM 36 CA ASP A 3 -6.542 -0.375 14.254 1.00 0.00 C ATOM 37 C ASP A 3 -7.008 -0.302 12.798 1.00 0.00 C ATOM 38 O ASP A 3 -8.134 -0.635 12.480 1.00 0.00 O ATOM 39 CB ASP A 3 -7.229 -1.532 14.980 1.00 0.00 C ATOM 40 CG ASP A 3 -6.300 -2.747 14.999 1.00 0.00 C ATOM 41 OD1 ASP A 3 -6.153 -3.372 13.962 1.00 0.00 O ATOM 42 OD2 ASP A 3 -5.751 -3.032 16.051 1.00 0.00 O ATOM 0 H ASP A 3 -7.928 1.146 14.824 1.00 0.00 H new ATOM 0 HA ASP A 3 -5.458 -0.492 14.235 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -7.481 -1.238 15.999 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -8.165 -1.784 14.481 1.00 0.00 H new ATOM 47 N VAL A 4 -6.134 0.096 11.903 1.00 0.00 N ATOM 48 CA VAL A 4 -6.494 0.156 10.447 1.00 0.00 C ATOM 49 C VAL A 4 -7.768 0.989 10.238 1.00 0.00 C ATOM 50 O VAL A 4 -8.872 0.500 10.392 1.00 0.00 O ATOM 51 CB VAL A 4 -6.706 -1.307 10.021 1.00 0.00 C ATOM 52 CG1 VAL A 4 -7.221 -1.373 8.579 1.00 0.00 C ATOM 53 CG2 VAL A 4 -5.374 -2.054 10.106 1.00 0.00 C ATOM 0 H VAL A 4 -5.180 0.384 12.119 1.00 0.00 H new ATOM 0 HA VAL A 4 -5.717 0.636 9.852 1.00 0.00 H new ATOM 0 HB VAL A 4 -7.440 -1.765 10.685 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -7.366 -2.414 8.292 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -8.170 -0.841 8.507 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -6.494 -0.911 7.911 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -5.519 -3.092 9.805 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.649 -1.582 9.443 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -5.004 -2.022 11.131 1.00 0.00 H new ATOM 63 N LYS A 5 -7.617 2.214 9.802 1.00 0.00 N ATOM 64 CA LYS A 5 -8.808 3.051 9.477 1.00 0.00 C ATOM 65 C LYS A 5 -9.199 2.848 8.011 1.00 0.00 C ATOM 66 O LYS A 5 -8.361 2.574 7.172 1.00 0.00 O ATOM 67 CB LYS A 5 -8.359 4.493 9.719 1.00 0.00 C ATOM 68 CG LYS A 5 -9.586 5.381 9.935 1.00 0.00 C ATOM 69 CD LYS A 5 -9.283 6.799 9.446 1.00 0.00 C ATOM 70 CE LYS A 5 -8.677 7.616 10.589 1.00 0.00 C ATOM 71 NZ LYS A 5 -9.839 8.036 11.420 1.00 0.00 N ATOM 0 H LYS A 5 -6.716 2.671 9.657 1.00 0.00 H new ATOM 0 HA LYS A 5 -9.677 2.792 10.081 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.705 4.540 10.590 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.782 4.853 8.867 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -10.442 4.974 9.396 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.854 5.399 10.991 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.592 6.764 8.604 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.197 7.275 9.090 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.972 7.021 11.169 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.130 8.479 10.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.996 9.058 11.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.688 7.519 11.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.645 7.825 12.420 1.00 0.00 H new ATOM 85 N TYR A 6 -10.460 3.000 7.695 1.00 0.00 N ATOM 86 CA TYR A 6 -10.903 2.839 6.277 1.00 0.00 C ATOM 87 C TYR A 6 -10.601 4.109 5.479 1.00 0.00 C ATOM 88 O TYR A 6 -11.458 4.951 5.287 1.00 0.00 O ATOM 89 CB TYR A 6 -12.411 2.598 6.355 1.00 0.00 C ATOM 90 CG TYR A 6 -12.675 1.116 6.466 1.00 0.00 C ATOM 91 CD1 TYR A 6 -12.181 0.242 5.489 1.00 0.00 C ATOM 92 CD2 TYR A 6 -13.412 0.615 7.545 1.00 0.00 C ATOM 93 CE1 TYR A 6 -12.425 -1.132 5.592 1.00 0.00 C ATOM 94 CE2 TYR A 6 -13.656 -0.760 7.648 1.00 0.00 C ATOM 95 CZ TYR A 6 -13.162 -1.634 6.671 1.00 0.00 C ATOM 96 OH TYR A 6 -13.403 -2.989 6.773 1.00 0.00 O ATOM 0 H TYR A 6 -11.201 3.228 8.357 1.00 0.00 H new ATOM 0 HA TYR A 6 -10.387 2.021 5.775 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -12.830 3.119 7.216 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -12.901 3.001 5.469 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -11.612 0.629 4.656 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -13.793 1.289 8.298 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -12.044 -1.806 4.838 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -14.225 -1.147 8.481 1.00 0.00 H new ATOM 0 HH TYR A 6 -13.928 -3.168 7.581 1.00 0.00 H new ATOM 106 N TYR A 7 -9.401 4.223 4.967 1.00 0.00 N ATOM 107 CA TYR A 7 -9.049 5.406 4.123 1.00 0.00 C ATOM 108 C TYR A 7 -9.938 5.442 2.876 1.00 0.00 C ATOM 109 O TYR A 7 -10.892 4.696 2.767 1.00 0.00 O ATOM 110 CB TYR A 7 -7.583 5.203 3.734 1.00 0.00 C ATOM 111 CG TYR A 7 -6.698 5.522 4.916 1.00 0.00 C ATOM 112 CD1 TYR A 7 -6.785 6.774 5.536 1.00 0.00 C ATOM 113 CD2 TYR A 7 -5.790 4.567 5.392 1.00 0.00 C ATOM 114 CE1 TYR A 7 -5.965 7.072 6.631 1.00 0.00 C ATOM 115 CE2 TYR A 7 -4.970 4.866 6.486 1.00 0.00 C ATOM 116 CZ TYR A 7 -5.058 6.119 7.106 1.00 0.00 C ATOM 117 OH TYR A 7 -4.249 6.413 8.185 1.00 0.00 O ATOM 0 H TYR A 7 -8.649 3.547 5.097 1.00 0.00 H new ATOM 0 HA TYR A 7 -9.198 6.348 4.650 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.420 4.174 3.412 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -7.327 5.845 2.891 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -7.485 7.510 5.170 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.723 3.600 4.915 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -6.033 8.038 7.109 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.269 4.130 6.852 1.00 0.00 H new ATOM 0 HH TYR A 7 -3.679 5.642 8.386 1.00 0.00 H new ATOM 127 N THR A 8 -9.611 6.279 1.924 1.00 0.00 N ATOM 128 CA THR A 8 -10.413 6.337 0.665 1.00 0.00 C ATOM 129 C THR A 8 -9.506 6.150 -0.554 1.00 0.00 C ATOM 130 O THR A 8 -8.296 6.228 -0.455 1.00 0.00 O ATOM 131 CB THR A 8 -11.041 7.732 0.658 1.00 0.00 C ATOM 132 OG1 THR A 8 -10.029 8.706 0.874 1.00 0.00 O ATOM 133 CG2 THR A 8 -12.090 7.828 1.766 1.00 0.00 C ATOM 0 H THR A 8 -8.823 6.925 1.965 1.00 0.00 H new ATOM 0 HA THR A 8 -11.166 5.550 0.621 1.00 0.00 H new ATOM 0 HB THR A 8 -11.518 7.911 -0.306 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.444 9.580 1.027 1.00 0.00 H new ATOM 0 HG21 THR A 8 -12.536 8.822 1.759 1.00 0.00 H new ATOM 0 HG22 THR A 8 -12.866 7.081 1.598 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.617 7.649 2.732 1.00 0.00 H new ATOM 141 N LEU A 9 -10.088 5.931 -1.705 1.00 0.00 N ATOM 142 CA LEU A 9 -9.270 5.770 -2.946 1.00 0.00 C ATOM 143 C LEU A 9 -8.763 7.132 -3.428 1.00 0.00 C ATOM 144 O LEU A 9 -7.656 7.252 -3.919 1.00 0.00 O ATOM 145 CB LEU A 9 -10.225 5.157 -3.976 1.00 0.00 C ATOM 146 CG LEU A 9 -9.498 4.067 -4.767 1.00 0.00 C ATOM 147 CD1 LEU A 9 -9.191 2.882 -3.847 1.00 0.00 C ATOM 148 CD2 LEU A 9 -10.387 3.599 -5.923 1.00 0.00 C ATOM 0 H LEU A 9 -11.096 5.856 -1.840 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.392 5.145 -2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.096 4.736 -3.474 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.590 5.929 -4.653 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.565 4.468 -5.163 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.673 2.107 -4.412 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.558 3.215 -3.024 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.122 2.480 -3.449 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.871 2.823 -6.488 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -11.320 3.199 -5.526 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.604 4.442 -6.580 1.00 0.00 H new ATOM 160 N GLU A 10 -9.554 8.162 -3.264 1.00 0.00 N ATOM 161 CA GLU A 10 -9.110 9.528 -3.683 1.00 0.00 C ATOM 162 C GLU A 10 -7.994 10.029 -2.762 1.00 0.00 C ATOM 163 O GLU A 10 -7.117 10.761 -3.180 1.00 0.00 O ATOM 164 CB GLU A 10 -10.351 10.413 -3.551 1.00 0.00 C ATOM 165 CG GLU A 10 -11.204 10.287 -4.815 1.00 0.00 C ATOM 166 CD GLU A 10 -11.805 8.882 -4.888 1.00 0.00 C ATOM 167 OE1 GLU A 10 -12.295 8.415 -3.872 1.00 0.00 O ATOM 168 OE2 GLU A 10 -11.766 8.297 -5.957 1.00 0.00 O ATOM 0 H GLU A 10 -10.489 8.117 -2.858 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.712 9.536 -4.698 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.931 10.117 -2.677 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.056 11.451 -3.401 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.998 11.034 -4.806 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.595 10.480 -5.698 1.00 0.00 H new ATOM 175 N GLU A 11 -7.999 9.605 -1.523 1.00 0.00 N ATOM 176 CA GLU A 11 -6.914 10.016 -0.581 1.00 0.00 C ATOM 177 C GLU A 11 -5.644 9.205 -0.853 1.00 0.00 C ATOM 178 O GLU A 11 -4.541 9.681 -0.658 1.00 0.00 O ATOM 179 CB GLU A 11 -7.459 9.710 0.815 1.00 0.00 C ATOM 180 CG GLU A 11 -6.448 10.163 1.870 1.00 0.00 C ATOM 181 CD GLU A 11 -6.493 11.687 2.000 1.00 0.00 C ATOM 182 OE1 GLU A 11 -7.361 12.176 2.705 1.00 0.00 O ATOM 183 OE2 GLU A 11 -5.660 12.338 1.393 1.00 0.00 O ATOM 0 H GLU A 11 -8.709 8.991 -1.123 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.649 11.068 -0.691 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.410 10.221 0.965 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.651 8.642 0.916 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.675 9.699 2.830 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.445 9.841 1.590 1.00 0.00 H new ATOM 190 N ILE A 12 -5.793 8.000 -1.342 1.00 0.00 N ATOM 191 CA ILE A 12 -4.597 7.168 -1.678 1.00 0.00 C ATOM 192 C ILE A 12 -4.161 7.438 -3.122 1.00 0.00 C ATOM 193 O ILE A 12 -2.984 7.455 -3.429 1.00 0.00 O ATOM 194 CB ILE A 12 -5.060 5.716 -1.511 1.00 0.00 C ATOM 195 CG1 ILE A 12 -5.516 5.486 -0.067 1.00 0.00 C ATOM 196 CG2 ILE A 12 -3.904 4.764 -1.831 1.00 0.00 C ATOM 197 CD1 ILE A 12 -6.276 4.162 0.026 1.00 0.00 C ATOM 0 H ILE A 12 -6.693 7.555 -1.523 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.742 7.392 -1.041 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.889 5.525 -2.193 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.653 5.469 0.599 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.155 6.307 0.259 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.238 3.733 -1.711 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.576 4.922 -2.858 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.074 4.958 -1.152 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -6.600 4.000 1.054 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -7.147 4.196 -0.628 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.623 3.345 -0.282 1.00 0.00 H new ATOM 209 N GLN A 13 -5.101 7.693 -3.997 1.00 0.00 N ATOM 210 CA GLN A 13 -4.747 8.015 -5.413 1.00 0.00 C ATOM 211 C GLN A 13 -4.562 9.525 -5.585 1.00 0.00 C ATOM 212 O GLN A 13 -5.073 10.118 -6.516 1.00 0.00 O ATOM 213 CB GLN A 13 -5.937 7.525 -6.240 1.00 0.00 C ATOM 214 CG GLN A 13 -6.057 6.004 -6.115 1.00 0.00 C ATOM 215 CD GLN A 13 -6.551 5.418 -7.439 1.00 0.00 C ATOM 216 OE1 GLN A 13 -7.381 6.006 -8.104 1.00 0.00 O ATOM 217 NE2 GLN A 13 -6.074 4.276 -7.853 1.00 0.00 N ATOM 0 H GLN A 13 -6.100 7.692 -3.791 1.00 0.00 H new ATOM 0 HA GLN A 13 -3.813 7.544 -5.721 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -6.854 8.002 -5.894 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -5.806 7.805 -7.285 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.091 5.573 -5.853 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.748 5.748 -5.312 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.377 3.782 -7.295 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.398 3.877 -8.734 1.00 0.00 H new ATOM 226 N LYS A 14 -3.801 10.142 -4.716 1.00 0.00 N ATOM 227 CA LYS A 14 -3.539 11.607 -4.847 1.00 0.00 C ATOM 228 C LYS A 14 -2.163 11.952 -4.270 1.00 0.00 C ATOM 229 O LYS A 14 -1.929 13.059 -3.824 1.00 0.00 O ATOM 230 CB LYS A 14 -4.645 12.282 -4.034 1.00 0.00 C ATOM 231 CG LYS A 14 -5.787 12.698 -4.964 1.00 0.00 C ATOM 232 CD LYS A 14 -5.296 13.786 -5.921 1.00 0.00 C ATOM 233 CE LYS A 14 -6.486 14.622 -6.397 1.00 0.00 C ATOM 234 NZ LYS A 14 -6.200 14.919 -7.829 1.00 0.00 N ATOM 0 H LYS A 14 -3.349 9.693 -3.920 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.539 11.935 -5.887 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.016 11.599 -3.269 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.248 13.155 -3.516 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.143 11.836 -5.528 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.630 13.066 -4.380 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.567 14.423 -5.421 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.791 13.334 -6.775 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.422 14.075 -6.287 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.582 15.539 -5.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.973 15.490 -8.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.307 15.446 -7.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.121 14.028 -8.359 1.00 0.00 H new ATOM 248 N HIS A 15 -1.244 11.021 -4.311 1.00 0.00 N ATOM 249 CA HIS A 15 0.133 11.298 -3.804 1.00 0.00 C ATOM 250 C HIS A 15 1.085 11.561 -4.973 1.00 0.00 C ATOM 251 O HIS A 15 2.182 11.035 -5.021 1.00 0.00 O ATOM 252 CB HIS A 15 0.541 10.030 -3.054 1.00 0.00 C ATOM 253 CG HIS A 15 -0.171 9.978 -1.730 1.00 0.00 C ATOM 254 ND1 HIS A 15 0.376 10.513 -0.575 1.00 0.00 N ATOM 255 CD2 HIS A 15 -1.388 9.459 -1.364 1.00 0.00 C ATOM 256 CE1 HIS A 15 -0.503 10.305 0.423 1.00 0.00 C ATOM 257 NE2 HIS A 15 -1.595 9.666 -0.003 1.00 0.00 N ATOM 0 H HIS A 15 -1.389 10.079 -4.675 1.00 0.00 H new ATOM 0 HA HIS A 15 0.168 12.179 -3.164 1.00 0.00 H new ATOM 0 HB2 HIS A 15 0.294 9.149 -3.646 1.00 0.00 H new ATOM 0 HB3 HIS A 15 1.620 10.018 -2.899 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -2.080 8.965 -2.030 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -0.344 10.617 1.445 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -2.406 9.389 0.550 1.00 0.00 H new ATOM 266 N LYS A 16 0.690 12.404 -5.892 1.00 0.00 N ATOM 267 CA LYS A 16 1.585 12.748 -7.038 1.00 0.00 C ATOM 268 C LYS A 16 2.612 13.798 -6.608 1.00 0.00 C ATOM 269 O LYS A 16 3.725 13.826 -7.098 1.00 0.00 O ATOM 270 CB LYS A 16 0.656 13.314 -8.112 1.00 0.00 C ATOM 271 CG LYS A 16 -0.171 12.181 -8.723 1.00 0.00 C ATOM 272 CD LYS A 16 -1.535 12.719 -9.156 1.00 0.00 C ATOM 273 CE LYS A 16 -2.000 11.983 -10.415 1.00 0.00 C ATOM 274 NZ LYS A 16 -2.709 13.014 -11.223 1.00 0.00 N ATOM 0 H LYS A 16 -0.217 12.871 -5.898 1.00 0.00 H new ATOM 0 HA LYS A 16 2.145 11.885 -7.399 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.003 14.066 -7.678 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.240 13.811 -8.887 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.352 11.756 -9.579 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.299 11.378 -7.997 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.261 12.585 -8.355 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.470 13.789 -9.351 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.155 11.564 -10.962 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.661 11.153 -10.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.058 12.585 -12.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.512 13.390 -10.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.053 13.788 -11.451 1.00 0.00 H new ATOM 288 N ASP A 17 2.257 14.635 -5.666 1.00 0.00 N ATOM 289 CA ASP A 17 3.221 15.658 -5.161 1.00 0.00 C ATOM 290 C ASP A 17 3.636 15.328 -3.724 1.00 0.00 C ATOM 291 O ASP A 17 3.504 14.207 -3.273 1.00 0.00 O ATOM 292 CB ASP A 17 2.454 16.980 -5.210 1.00 0.00 C ATOM 293 CG ASP A 17 3.414 18.113 -5.579 1.00 0.00 C ATOM 294 OD1 ASP A 17 4.556 18.058 -5.154 1.00 0.00 O ATOM 295 OD2 ASP A 17 2.990 19.017 -6.280 1.00 0.00 O ATOM 0 H ASP A 17 1.338 14.653 -5.224 1.00 0.00 H new ATOM 0 HA ASP A 17 4.135 15.695 -5.754 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.649 16.919 -5.942 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.992 17.181 -4.243 1.00 0.00 H new ATOM 300 N SER A 18 4.102 16.311 -2.989 1.00 0.00 N ATOM 301 CA SER A 18 4.492 16.084 -1.557 1.00 0.00 C ATOM 302 C SER A 18 5.476 14.913 -1.440 1.00 0.00 C ATOM 303 O SER A 18 6.105 14.523 -2.405 1.00 0.00 O ATOM 304 CB SER A 18 3.186 15.763 -0.825 1.00 0.00 C ATOM 305 OG SER A 18 3.281 16.207 0.522 1.00 0.00 O ATOM 0 H SER A 18 4.230 17.267 -3.321 1.00 0.00 H new ATOM 0 HA SER A 18 4.992 16.955 -1.134 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.348 16.251 -1.322 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.994 14.690 -0.854 1.00 0.00 H new ATOM 0 HG SER A 18 2.446 16.004 0.993 1.00 0.00 H new ATOM 311 N LYS A 19 5.585 14.333 -0.271 1.00 0.00 N ATOM 312 CA LYS A 19 6.495 13.163 -0.091 1.00 0.00 C ATOM 313 C LYS A 19 5.692 11.956 0.413 1.00 0.00 C ATOM 314 O LYS A 19 4.494 11.881 0.221 1.00 0.00 O ATOM 315 CB LYS A 19 7.515 13.623 0.956 1.00 0.00 C ATOM 316 CG LYS A 19 8.868 12.945 0.700 1.00 0.00 C ATOM 317 CD LYS A 19 9.998 13.961 0.889 1.00 0.00 C ATOM 318 CE LYS A 19 11.314 13.222 1.138 1.00 0.00 C ATOM 319 NZ LYS A 19 12.090 14.114 2.043 1.00 0.00 N ATOM 0 H LYS A 19 5.081 14.621 0.568 1.00 0.00 H new ATOM 0 HA LYS A 19 6.980 12.854 -1.017 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.628 14.706 0.915 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.159 13.377 1.956 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.001 12.107 1.384 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.897 12.539 -0.311 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.085 14.592 0.005 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.773 14.618 1.729 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.140 12.249 1.597 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.849 13.043 0.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 13.007 13.675 2.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.246 15.030 1.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.559 14.260 2.925 1.00 0.00 H new ATOM 333 N SER A 20 6.334 11.028 1.086 1.00 0.00 N ATOM 334 CA SER A 20 5.607 9.838 1.643 1.00 0.00 C ATOM 335 C SER A 20 4.797 9.133 0.548 1.00 0.00 C ATOM 336 O SER A 20 3.689 9.524 0.235 1.00 0.00 O ATOM 337 CB SER A 20 4.678 10.397 2.724 1.00 0.00 C ATOM 338 OG SER A 20 5.439 10.702 3.885 1.00 0.00 O ATOM 0 H SER A 20 7.336 11.043 1.275 1.00 0.00 H new ATOM 0 HA SER A 20 6.298 9.097 2.045 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.174 11.292 2.360 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.902 9.670 2.964 1.00 0.00 H new ATOM 0 HG SER A 20 4.848 11.062 4.579 1.00 0.00 H new ATOM 344 N THR A 21 5.333 8.074 -0.006 1.00 0.00 N ATOM 345 CA THR A 21 4.586 7.310 -1.051 1.00 0.00 C ATOM 346 C THR A 21 3.484 6.463 -0.406 1.00 0.00 C ATOM 347 O THR A 21 3.705 5.796 0.588 1.00 0.00 O ATOM 348 CB THR A 21 5.634 6.416 -1.727 1.00 0.00 C ATOM 349 OG1 THR A 21 5.006 5.641 -2.738 1.00 0.00 O ATOM 350 CG2 THR A 21 6.280 5.481 -0.696 1.00 0.00 C ATOM 0 H THR A 21 6.257 7.706 0.221 1.00 0.00 H new ATOM 0 HA THR A 21 4.097 7.969 -1.768 1.00 0.00 H new ATOM 0 HB THR A 21 6.408 7.045 -2.167 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.686 6.232 -3.451 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.021 4.852 -1.189 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.765 6.074 0.079 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.513 4.851 -0.245 1.00 0.00 H new ATOM 358 N TRP A 22 2.315 6.448 -0.996 1.00 0.00 N ATOM 359 CA TRP A 22 1.208 5.603 -0.457 1.00 0.00 C ATOM 360 C TRP A 22 0.973 4.396 -1.371 1.00 0.00 C ATOM 361 O TRP A 22 0.011 4.348 -2.114 1.00 0.00 O ATOM 362 CB TRP A 22 -0.018 6.518 -0.443 1.00 0.00 C ATOM 363 CG TRP A 22 -0.092 7.240 0.865 1.00 0.00 C ATOM 364 CD1 TRP A 22 0.939 7.886 1.458 1.00 0.00 C ATOM 365 CD2 TRP A 22 -1.239 7.401 1.750 1.00 0.00 C ATOM 366 NE1 TRP A 22 0.498 8.432 2.650 1.00 0.00 N ATOM 367 CE2 TRP A 22 -0.837 8.161 2.874 1.00 0.00 C ATOM 368 CE3 TRP A 22 -2.574 6.966 1.687 1.00 0.00 C ATOM 369 CZ2 TRP A 22 -1.729 8.478 3.899 1.00 0.00 C ATOM 370 CZ3 TRP A 22 -3.475 7.284 2.717 1.00 0.00 C ATOM 371 CH2 TRP A 22 -3.053 8.038 3.821 1.00 0.00 C ATOM 0 H TRP A 22 2.080 6.986 -1.830 1.00 0.00 H new ATOM 0 HA TRP A 22 1.431 5.210 0.535 1.00 0.00 H new ATOM 0 HB2 TRP A 22 0.041 7.235 -1.262 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -0.924 5.931 -0.598 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.942 7.963 1.065 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.087 8.969 3.286 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.909 6.384 0.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -1.398 9.059 4.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -4.499 6.946 2.658 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -3.750 8.278 4.610 1.00 0.00 H new ATOM 382 N VAL A 23 1.828 3.407 -1.292 1.00 0.00 N ATOM 383 CA VAL A 23 1.639 2.179 -2.122 1.00 0.00 C ATOM 384 C VAL A 23 0.592 1.267 -1.474 1.00 0.00 C ATOM 385 O VAL A 23 0.249 1.428 -0.319 1.00 0.00 O ATOM 386 CB VAL A 23 3.011 1.494 -2.147 1.00 0.00 C ATOM 387 CG1 VAL A 23 2.935 0.216 -2.988 1.00 0.00 C ATOM 388 CG2 VAL A 23 4.048 2.441 -2.762 1.00 0.00 C ATOM 0 H VAL A 23 2.650 3.398 -0.688 1.00 0.00 H new ATOM 0 HA VAL A 23 1.286 2.409 -3.127 1.00 0.00 H new ATOM 0 HB VAL A 23 3.303 1.243 -1.127 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.912 -0.268 -3.004 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.201 -0.462 -2.554 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.639 0.468 -4.006 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.022 1.952 -2.779 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.751 2.694 -3.780 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.109 3.351 -2.165 1.00 0.00 H new ATOM 398 N ILE A 24 0.119 0.285 -2.199 1.00 0.00 N ATOM 399 CA ILE A 24 -0.867 -0.675 -1.618 1.00 0.00 C ATOM 400 C ILE A 24 -0.469 -2.111 -1.975 1.00 0.00 C ATOM 401 O ILE A 24 -0.102 -2.399 -3.099 1.00 0.00 O ATOM 402 CB ILE A 24 -2.211 -0.310 -2.261 1.00 0.00 C ATOM 403 CG1 ILE A 24 -2.564 1.144 -1.926 1.00 0.00 C ATOM 404 CG2 ILE A 24 -3.307 -1.233 -1.722 1.00 0.00 C ATOM 405 CD1 ILE A 24 -2.107 2.058 -3.065 1.00 0.00 C ATOM 0 H ILE A 24 0.374 0.107 -3.170 1.00 0.00 H new ATOM 0 HA ILE A 24 -0.913 -0.616 -0.531 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.135 -0.427 -3.342 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.639 1.243 -1.776 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.084 1.440 -0.993 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.261 -0.972 -2.180 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.061 -2.268 -1.961 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.380 -1.118 -0.641 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -2.359 3.091 -2.826 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -1.028 1.968 -3.194 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.608 1.767 -3.988 1.00 0.00 H new ATOM 417 N LEU A 25 -0.578 -3.017 -1.036 1.00 0.00 N ATOM 418 CA LEU A 25 -0.249 -4.446 -1.328 1.00 0.00 C ATOM 419 C LEU A 25 -1.477 -5.159 -1.907 1.00 0.00 C ATOM 420 O LEU A 25 -1.586 -5.347 -3.104 1.00 0.00 O ATOM 421 CB LEU A 25 0.145 -5.050 0.029 1.00 0.00 C ATOM 422 CG LEU A 25 1.667 -5.259 0.102 1.00 0.00 C ATOM 423 CD1 LEU A 25 2.116 -6.236 -0.993 1.00 0.00 C ATOM 424 CD2 LEU A 25 2.385 -3.915 -0.077 1.00 0.00 C ATOM 0 H LEU A 25 -0.880 -2.829 -0.080 1.00 0.00 H new ATOM 0 HA LEU A 25 0.551 -4.548 -2.061 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.177 -4.390 0.835 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.366 -6.002 0.173 1.00 0.00 H new ATOM 0 HG LEU A 25 1.921 -5.676 1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.195 -6.378 -0.934 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.616 -7.194 -0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.857 -5.831 -1.971 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.463 -4.068 -0.024 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.126 -3.490 -1.047 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.077 -3.230 0.713 1.00 0.00 H new ATOM 436 N HIS A 26 -2.430 -5.492 -1.073 1.00 0.00 N ATOM 437 CA HIS A 26 -3.690 -6.118 -1.573 1.00 0.00 C ATOM 438 C HIS A 26 -4.894 -5.307 -1.089 1.00 0.00 C ATOM 439 O HIS A 26 -5.693 -4.836 -1.876 1.00 0.00 O ATOM 440 CB HIS A 26 -3.706 -7.521 -0.965 1.00 0.00 C ATOM 441 CG HIS A 26 -2.762 -8.409 -1.727 1.00 0.00 C ATOM 442 ND1 HIS A 26 -3.209 -9.366 -2.625 1.00 0.00 N ATOM 443 CD2 HIS A 26 -1.392 -8.498 -1.737 1.00 0.00 C ATOM 444 CE1 HIS A 26 -2.127 -9.983 -3.133 1.00 0.00 C ATOM 445 NE2 HIS A 26 -0.993 -9.493 -2.625 1.00 0.00 N ATOM 0 H HIS A 26 -2.388 -5.356 -0.063 1.00 0.00 H new ATOM 0 HA HIS A 26 -3.738 -6.151 -2.661 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -3.414 -7.477 0.084 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -4.715 -7.932 -0.998 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -0.725 -7.888 -1.146 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.170 -10.778 -3.863 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -0.040 -9.785 -2.841 1.00 0.00 H new ATOM 453 N HIS A 27 -4.974 -5.072 0.195 1.00 0.00 N ATOM 454 CA HIS A 27 -6.062 -4.209 0.741 1.00 0.00 C ATOM 455 C HIS A 27 -5.521 -3.326 1.874 1.00 0.00 C ATOM 456 O HIS A 27 -6.275 -2.806 2.676 1.00 0.00 O ATOM 457 CB HIS A 27 -7.110 -5.185 1.275 1.00 0.00 C ATOM 458 CG HIS A 27 -8.334 -4.422 1.702 1.00 0.00 C ATOM 459 ND1 HIS A 27 -9.000 -4.696 2.886 1.00 0.00 N ATOM 460 CD2 HIS A 27 -9.026 -3.393 1.112 1.00 0.00 C ATOM 461 CE1 HIS A 27 -10.041 -3.848 2.972 1.00 0.00 C ATOM 462 NE2 HIS A 27 -10.103 -3.032 1.916 1.00 0.00 N ATOM 0 H HIS A 27 -4.328 -5.443 0.892 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.475 -3.539 -0.013 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.371 -5.912 0.506 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.705 -5.745 2.118 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.773 -2.934 0.168 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -10.741 -3.829 3.794 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -10.792 -2.301 1.737 1.00 0.00 H new ATOM 470 N LYS A 28 -4.225 -3.124 1.923 1.00 0.00 N ATOM 471 CA LYS A 28 -3.637 -2.243 2.976 1.00 0.00 C ATOM 472 C LYS A 28 -2.918 -1.056 2.330 1.00 0.00 C ATOM 473 O LYS A 28 -2.226 -1.206 1.340 1.00 0.00 O ATOM 474 CB LYS A 28 -2.641 -3.131 3.723 1.00 0.00 C ATOM 475 CG LYS A 28 -3.362 -3.870 4.853 1.00 0.00 C ATOM 476 CD LYS A 28 -2.338 -4.613 5.712 1.00 0.00 C ATOM 477 CE LYS A 28 -1.981 -5.943 5.046 1.00 0.00 C ATOM 478 NZ LYS A 28 -1.313 -6.740 6.113 1.00 0.00 N ATOM 0 H LYS A 28 -3.550 -3.533 1.277 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.395 -1.831 3.642 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.190 -3.847 3.036 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.831 -2.525 4.129 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.921 -3.163 5.465 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.084 -4.574 4.439 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.442 -4.005 5.836 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.744 -4.790 6.708 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.871 -6.450 4.674 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.319 -5.792 4.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.038 -7.668 5.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.465 -6.236 6.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.969 -6.873 6.909 1.00 0.00 H new ATOM 492 N VAL A 29 -3.045 0.112 2.908 1.00 0.00 N ATOM 493 CA VAL A 29 -2.336 1.307 2.359 1.00 0.00 C ATOM 494 C VAL A 29 -0.973 1.456 3.037 1.00 0.00 C ATOM 495 O VAL A 29 -0.874 1.476 4.249 1.00 0.00 O ATOM 496 CB VAL A 29 -3.239 2.500 2.689 1.00 0.00 C ATOM 497 CG1 VAL A 29 -2.621 3.781 2.123 1.00 0.00 C ATOM 498 CG2 VAL A 29 -4.624 2.290 2.067 1.00 0.00 C ATOM 0 H VAL A 29 -3.610 0.289 3.738 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.155 1.227 1.287 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.337 2.586 3.771 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.264 4.630 2.358 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.637 3.937 2.566 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.521 3.690 1.041 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.262 3.141 2.305 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.527 2.200 0.985 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.069 1.380 2.468 1.00 0.00 H new ATOM 508 N TYR A 30 0.078 1.542 2.263 1.00 0.00 N ATOM 509 CA TYR A 30 1.442 1.666 2.857 1.00 0.00 C ATOM 510 C TYR A 30 1.984 3.089 2.693 1.00 0.00 C ATOM 511 O TYR A 30 2.311 3.508 1.598 1.00 0.00 O ATOM 512 CB TYR A 30 2.310 0.691 2.062 1.00 0.00 C ATOM 513 CG TYR A 30 1.995 -0.725 2.468 1.00 0.00 C ATOM 514 CD1 TYR A 30 0.756 -1.288 2.145 1.00 0.00 C ATOM 515 CD2 TYR A 30 2.947 -1.477 3.165 1.00 0.00 C ATOM 516 CE1 TYR A 30 0.468 -2.604 2.520 1.00 0.00 C ATOM 517 CE2 TYR A 30 2.661 -2.793 3.539 1.00 0.00 C ATOM 518 CZ TYR A 30 1.420 -3.358 3.218 1.00 0.00 C ATOM 519 OH TYR A 30 1.137 -4.657 3.587 1.00 0.00 O ATOM 0 H TYR A 30 0.050 1.532 1.243 1.00 0.00 H new ATOM 0 HA TYR A 30 1.434 1.449 3.925 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.133 0.820 0.994 1.00 0.00 H new ATOM 0 HB3 TYR A 30 3.365 0.903 2.238 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.022 -0.707 1.606 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.903 -1.041 3.414 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -0.489 -3.039 2.271 1.00 0.00 H new ATOM 0 HE2 TYR A 30 3.397 -3.374 4.075 1.00 0.00 H new ATOM 0 HH TYR A 30 1.905 -5.037 4.062 1.00 0.00 H new ATOM 529 N ASP A 31 2.240 3.762 3.786 1.00 0.00 N ATOM 530 CA ASP A 31 2.949 5.074 3.708 1.00 0.00 C ATOM 531 C ASP A 31 4.443 4.839 3.930 1.00 0.00 C ATOM 532 O ASP A 31 4.968 5.077 5.001 1.00 0.00 O ATOM 533 CB ASP A 31 2.361 5.922 4.835 1.00 0.00 C ATOM 534 CG ASP A 31 2.919 7.343 4.750 1.00 0.00 C ATOM 535 OD1 ASP A 31 4.130 7.481 4.699 1.00 0.00 O ATOM 536 OD2 ASP A 31 2.126 8.270 4.738 1.00 0.00 O ATOM 0 H ASP A 31 1.989 3.460 4.727 1.00 0.00 H new ATOM 0 HA ASP A 31 2.827 5.567 2.743 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.274 5.942 4.760 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.606 5.481 5.801 1.00 0.00 H new ATOM 541 N LEU A 32 5.107 4.286 2.948 1.00 0.00 N ATOM 542 CA LEU A 32 6.550 3.923 3.115 1.00 0.00 C ATOM 543 C LEU A 32 7.434 5.157 2.898 1.00 0.00 C ATOM 544 O LEU A 32 8.327 5.154 2.071 1.00 0.00 O ATOM 545 CB LEU A 32 6.846 2.854 2.043 1.00 0.00 C ATOM 546 CG LEU A 32 5.724 1.792 1.995 1.00 0.00 C ATOM 547 CD1 LEU A 32 4.969 1.901 0.667 1.00 0.00 C ATOM 548 CD2 LEU A 32 6.322 0.387 2.117 1.00 0.00 C ATOM 0 H LEU A 32 4.712 4.069 2.033 1.00 0.00 H new ATOM 0 HA LEU A 32 6.757 3.548 4.118 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.943 3.330 1.067 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.799 2.372 2.259 1.00 0.00 H new ATOM 0 HG LEU A 32 5.040 1.966 2.825 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.178 1.151 0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.530 2.895 0.578 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.660 1.734 -0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.522 -0.353 2.082 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.014 0.213 1.293 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.856 0.300 3.063 1.00 0.00 H new ATOM 560 N THR A 33 7.214 6.199 3.661 1.00 0.00 N ATOM 561 CA THR A 33 8.063 7.424 3.531 1.00 0.00 C ATOM 562 C THR A 33 9.486 7.149 4.035 1.00 0.00 C ATOM 563 O THR A 33 10.436 7.769 3.595 1.00 0.00 O ATOM 564 CB THR A 33 7.377 8.489 4.397 1.00 0.00 C ATOM 565 OG1 THR A 33 8.127 9.694 4.341 1.00 0.00 O ATOM 566 CG2 THR A 33 7.286 8.013 5.852 1.00 0.00 C ATOM 0 H THR A 33 6.482 6.254 4.369 1.00 0.00 H new ATOM 0 HA THR A 33 8.155 7.746 2.494 1.00 0.00 H new ATOM 0 HB THR A 33 6.370 8.661 4.018 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.523 10.447 4.172 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.797 8.778 6.455 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.707 7.090 5.897 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.289 7.832 6.239 1.00 0.00 H new ATOM 574 N LYS A 34 9.640 6.201 4.925 1.00 0.00 N ATOM 575 CA LYS A 34 11.004 5.854 5.428 1.00 0.00 C ATOM 576 C LYS A 34 11.726 4.945 4.429 1.00 0.00 C ATOM 577 O LYS A 34 12.940 4.941 4.349 1.00 0.00 O ATOM 578 CB LYS A 34 10.765 5.118 6.747 1.00 0.00 C ATOM 579 CG LYS A 34 10.516 6.134 7.863 1.00 0.00 C ATOM 580 CD LYS A 34 11.850 6.724 8.325 1.00 0.00 C ATOM 581 CE LYS A 34 11.645 8.179 8.752 1.00 0.00 C ATOM 582 NZ LYS A 34 12.502 8.350 9.958 1.00 0.00 N ATOM 0 H LYS A 34 8.879 5.652 5.325 1.00 0.00 H new ATOM 0 HA LYS A 34 11.630 6.737 5.560 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.909 4.449 6.652 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.628 4.499 6.991 1.00 0.00 H new ATOM 0 HG2 LYS A 34 9.859 6.928 7.506 1.00 0.00 H new ATOM 0 HG3 LYS A 34 10.010 5.653 8.700 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.248 6.143 9.157 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.582 6.670 7.519 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.937 8.868 7.959 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.598 8.380 8.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.415 9.325 10.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.197 7.686 10.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.494 8.159 9.709 1.00 0.00 H new ATOM 596 N PHE A 35 10.986 4.203 3.642 1.00 0.00 N ATOM 597 CA PHE A 35 11.622 3.324 2.616 1.00 0.00 C ATOM 598 C PHE A 35 11.909 4.122 1.341 1.00 0.00 C ATOM 599 O PHE A 35 12.853 3.844 0.625 1.00 0.00 O ATOM 600 CB PHE A 35 10.590 2.230 2.342 1.00 0.00 C ATOM 601 CG PHE A 35 11.160 1.225 1.370 1.00 0.00 C ATOM 602 CD1 PHE A 35 12.202 0.379 1.766 1.00 0.00 C ATOM 603 CD2 PHE A 35 10.644 1.141 0.072 1.00 0.00 C ATOM 604 CE1 PHE A 35 12.729 -0.552 0.862 1.00 0.00 C ATOM 605 CE2 PHE A 35 11.171 0.211 -0.832 1.00 0.00 C ATOM 606 CZ PHE A 35 12.214 -0.636 -0.437 1.00 0.00 C ATOM 0 H PHE A 35 9.967 4.169 3.667 1.00 0.00 H new ATOM 0 HA PHE A 35 12.573 2.914 2.954 1.00 0.00 H new ATOM 0 HB2 PHE A 35 10.315 1.734 3.273 1.00 0.00 H new ATOM 0 HB3 PHE A 35 9.680 2.669 1.934 1.00 0.00 H new ATOM 0 HD1 PHE A 35 12.600 0.444 2.768 1.00 0.00 H new ATOM 0 HD2 PHE A 35 9.839 1.794 -0.232 1.00 0.00 H new ATOM 0 HE1 PHE A 35 13.533 -1.205 1.167 1.00 0.00 H new ATOM 0 HE2 PHE A 35 10.773 0.147 -1.834 1.00 0.00 H new ATOM 0 HZ PHE A 35 12.621 -1.354 -1.134 1.00 0.00 H new ATOM 616 N LEU A 36 11.121 5.133 1.074 1.00 0.00 N ATOM 617 CA LEU A 36 11.364 5.982 -0.134 1.00 0.00 C ATOM 618 C LEU A 36 12.749 6.632 -0.055 1.00 0.00 C ATOM 619 O LEU A 36 13.426 6.791 -1.053 1.00 0.00 O ATOM 620 CB LEU A 36 10.270 7.051 -0.103 1.00 0.00 C ATOM 621 CG LEU A 36 10.133 7.684 -1.489 1.00 0.00 C ATOM 622 CD1 LEU A 36 8.808 8.444 -1.575 1.00 0.00 C ATOM 623 CD2 LEU A 36 11.294 8.654 -1.724 1.00 0.00 C ATOM 0 H LEU A 36 10.319 5.408 1.641 1.00 0.00 H new ATOM 0 HA LEU A 36 11.336 5.400 -1.055 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.322 6.607 0.201 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.515 7.815 0.635 1.00 0.00 H new ATOM 0 HG LEU A 36 10.153 6.902 -2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.711 8.895 -2.563 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.981 7.754 -1.408 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.787 9.226 -0.816 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.197 9.105 -2.711 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.275 9.435 -0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 36 12.238 8.113 -1.664 1.00 0.00 H new ATOM 635 N GLU A 37 13.188 6.968 1.132 1.00 0.00 N ATOM 636 CA GLU A 37 14.548 7.563 1.293 1.00 0.00 C ATOM 637 C GLU A 37 15.518 6.522 1.859 1.00 0.00 C ATOM 638 O GLU A 37 16.492 6.858 2.506 1.00 0.00 O ATOM 639 CB GLU A 37 14.361 8.715 2.281 1.00 0.00 C ATOM 640 CG GLU A 37 15.520 9.704 2.137 1.00 0.00 C ATOM 641 CD GLU A 37 15.251 10.637 0.955 1.00 0.00 C ATOM 642 OE1 GLU A 37 14.793 10.151 -0.066 1.00 0.00 O ATOM 643 OE2 GLU A 37 15.508 11.822 1.091 1.00 0.00 O ATOM 0 H GLU A 37 12.661 6.855 1.998 1.00 0.00 H new ATOM 0 HA GLU A 37 14.965 7.902 0.345 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.413 9.219 2.093 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.321 8.331 3.300 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.633 10.284 3.053 1.00 0.00 H new ATOM 0 HG3 GLU A 37 16.455 9.165 1.983 1.00 0.00 H new ATOM 650 N GLU A 38 15.278 5.265 1.584 1.00 0.00 N ATOM 651 CA GLU A 38 16.206 4.197 2.063 1.00 0.00 C ATOM 652 C GLU A 38 16.966 3.589 0.881 1.00 0.00 C ATOM 653 O GLU A 38 18.178 3.485 0.900 1.00 0.00 O ATOM 654 CB GLU A 38 15.303 3.151 2.715 1.00 0.00 C ATOM 655 CG GLU A 38 16.163 2.056 3.348 1.00 0.00 C ATOM 656 CD GLU A 38 15.292 1.177 4.247 1.00 0.00 C ATOM 657 OE1 GLU A 38 14.619 1.724 5.105 1.00 0.00 O ATOM 658 OE2 GLU A 38 15.313 -0.029 4.063 1.00 0.00 O ATOM 0 H GLU A 38 14.477 4.932 1.047 1.00 0.00 H new ATOM 0 HA GLU A 38 16.953 4.580 2.758 1.00 0.00 H new ATOM 0 HB2 GLU A 38 14.676 3.619 3.474 1.00 0.00 H new ATOM 0 HB3 GLU A 38 14.634 2.718 1.971 1.00 0.00 H new ATOM 0 HG2 GLU A 38 16.629 1.450 2.571 1.00 0.00 H new ATOM 0 HG3 GLU A 38 16.969 2.503 3.930 1.00 0.00 H new ATOM 665 N HIS A 39 16.263 3.227 -0.162 1.00 0.00 N ATOM 666 CA HIS A 39 16.940 2.671 -1.372 1.00 0.00 C ATOM 667 C HIS A 39 16.733 3.609 -2.572 1.00 0.00 C ATOM 668 O HIS A 39 15.830 3.404 -3.359 1.00 0.00 O ATOM 669 CB HIS A 39 16.261 1.323 -1.622 1.00 0.00 C ATOM 670 CG HIS A 39 16.517 0.407 -0.457 1.00 0.00 C ATOM 671 ND1 HIS A 39 15.490 -0.112 0.315 1.00 0.00 N ATOM 672 CD2 HIS A 39 17.678 -0.092 0.080 1.00 0.00 C ATOM 673 CE1 HIS A 39 16.047 -0.885 1.265 1.00 0.00 C ATOM 674 NE2 HIS A 39 17.379 -0.907 1.168 1.00 0.00 N ATOM 0 H HIS A 39 15.247 3.293 -0.228 1.00 0.00 H new ATOM 0 HA HIS A 39 18.016 2.565 -1.232 1.00 0.00 H new ATOM 0 HB2 HIS A 39 15.189 1.464 -1.758 1.00 0.00 H new ATOM 0 HB3 HIS A 39 16.643 0.876 -2.540 1.00 0.00 H new ATOM 0 HD1 HIS A 39 14.493 0.061 0.186 1.00 0.00 H new ATOM 0 HD2 HIS A 39 18.672 0.116 -0.286 1.00 0.00 H new ATOM 0 HE1 HIS A 39 15.485 -1.422 2.015 1.00 0.00 H new ATOM 682 N PRO A 40 17.577 4.618 -2.681 1.00 0.00 N ATOM 683 CA PRO A 40 17.464 5.589 -3.807 1.00 0.00 C ATOM 684 C PRO A 40 17.440 4.864 -5.160 1.00 0.00 C ATOM 685 O PRO A 40 18.468 4.637 -5.769 1.00 0.00 O ATOM 686 CB PRO A 40 18.728 6.437 -3.679 1.00 0.00 C ATOM 687 CG PRO A 40 19.121 6.326 -2.242 1.00 0.00 C ATOM 688 CD PRO A 40 18.696 4.958 -1.783 1.00 0.00 C ATOM 0 HA PRO A 40 16.547 6.176 -3.763 1.00 0.00 H new ATOM 0 HB2 PRO A 40 19.518 6.070 -4.334 1.00 0.00 H new ATOM 0 HB3 PRO A 40 18.538 7.474 -3.958 1.00 0.00 H new ATOM 0 HG2 PRO A 40 20.197 6.457 -2.124 1.00 0.00 H new ATOM 0 HG3 PRO A 40 18.638 7.101 -1.647 1.00 0.00 H new ATOM 0 HD2 PRO A 40 19.509 4.237 -1.867 1.00 0.00 H new ATOM 0 HD3 PRO A 40 18.383 4.966 -0.739 1.00 0.00 H new ATOM 696 N GLY A 41 16.268 4.542 -5.647 1.00 0.00 N ATOM 697 CA GLY A 41 16.162 3.879 -6.980 1.00 0.00 C ATOM 698 C GLY A 41 14.997 4.490 -7.761 1.00 0.00 C ATOM 699 O GLY A 41 15.134 4.850 -8.915 1.00 0.00 O ATOM 0 H GLY A 41 15.379 4.711 -5.177 1.00 0.00 H new ATOM 0 HA2 GLY A 41 17.092 4.004 -7.535 1.00 0.00 H new ATOM 0 HA3 GLY A 41 16.007 2.807 -6.854 1.00 0.00 H new ATOM 703 N GLY A 42 13.864 4.647 -7.124 1.00 0.00 N ATOM 704 CA GLY A 42 12.696 5.280 -7.804 1.00 0.00 C ATOM 705 C GLY A 42 11.634 5.637 -6.764 1.00 0.00 C ATOM 706 O GLY A 42 10.451 5.567 -7.028 1.00 0.00 O ATOM 0 H GLY A 42 13.698 4.362 -6.159 1.00 0.00 H new ATOM 0 HA2 GLY A 42 13.014 6.176 -8.338 1.00 0.00 H new ATOM 0 HA3 GLY A 42 12.280 4.598 -8.546 1.00 0.00 H new ATOM 710 N GLU A 43 12.055 6.053 -5.594 1.00 0.00 N ATOM 711 CA GLU A 43 11.089 6.461 -4.520 1.00 0.00 C ATOM 712 C GLU A 43 10.092 5.326 -4.221 1.00 0.00 C ATOM 713 O GLU A 43 10.338 4.499 -3.362 1.00 0.00 O ATOM 714 CB GLU A 43 10.378 7.713 -5.056 1.00 0.00 C ATOM 715 CG GLU A 43 11.384 8.860 -5.173 1.00 0.00 C ATOM 716 CD GLU A 43 11.026 9.733 -6.377 1.00 0.00 C ATOM 717 OE1 GLU A 43 11.272 9.301 -7.491 1.00 0.00 O ATOM 718 OE2 GLU A 43 10.512 10.819 -6.164 1.00 0.00 O ATOM 0 H GLU A 43 13.038 6.129 -5.333 1.00 0.00 H new ATOM 0 HA GLU A 43 11.594 6.671 -3.577 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.934 7.504 -6.029 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.564 7.996 -4.389 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.377 9.458 -4.262 1.00 0.00 H new ATOM 0 HG3 GLU A 43 12.393 8.463 -5.286 1.00 0.00 H new ATOM 725 N GLU A 44 8.997 5.249 -4.943 1.00 0.00 N ATOM 726 CA GLU A 44 8.026 4.133 -4.720 1.00 0.00 C ATOM 727 C GLU A 44 8.395 2.924 -5.587 1.00 0.00 C ATOM 728 O GLU A 44 8.186 2.915 -6.786 1.00 0.00 O ATOM 729 CB GLU A 44 6.653 4.700 -5.112 1.00 0.00 C ATOM 730 CG GLU A 44 6.655 5.154 -6.581 1.00 0.00 C ATOM 731 CD GLU A 44 6.188 6.610 -6.678 1.00 0.00 C ATOM 732 OE1 GLU A 44 6.953 7.483 -6.303 1.00 0.00 O ATOM 733 OE2 GLU A 44 5.074 6.825 -7.126 1.00 0.00 O ATOM 0 H GLU A 44 8.736 5.910 -5.675 1.00 0.00 H new ATOM 0 HA GLU A 44 8.030 3.785 -3.687 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.884 3.942 -4.961 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.403 5.541 -4.466 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.657 5.056 -7.000 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.999 4.513 -7.170 1.00 0.00 H new ATOM 740 N VAL A 45 8.923 1.892 -4.980 1.00 0.00 N ATOM 741 CA VAL A 45 9.286 0.665 -5.754 1.00 0.00 C ATOM 742 C VAL A 45 8.662 -0.579 -5.111 1.00 0.00 C ATOM 743 O VAL A 45 9.151 -1.681 -5.277 1.00 0.00 O ATOM 744 CB VAL A 45 10.817 0.593 -5.704 1.00 0.00 C ATOM 745 CG1 VAL A 45 11.408 1.836 -6.371 1.00 0.00 C ATOM 746 CG2 VAL A 45 11.292 0.526 -4.248 1.00 0.00 C ATOM 0 H VAL A 45 9.119 1.845 -3.980 1.00 0.00 H new ATOM 0 HA VAL A 45 8.917 0.705 -6.779 1.00 0.00 H new ATOM 0 HB VAL A 45 11.148 -0.302 -6.231 1.00 0.00 H new ATOM 0 HG11 VAL A 45 12.496 1.785 -6.336 1.00 0.00 H new ATOM 0 HG12 VAL A 45 11.080 1.882 -7.410 1.00 0.00 H new ATOM 0 HG13 VAL A 45 11.069 2.728 -5.844 1.00 0.00 H new ATOM 0 HG21 VAL A 45 12.381 0.475 -4.222 1.00 0.00 H new ATOM 0 HG22 VAL A 45 10.958 1.416 -3.715 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.876 -0.361 -3.770 1.00 0.00 H new ATOM 756 N LEU A 46 7.564 -0.416 -4.415 1.00 0.00 N ATOM 757 CA LEU A 46 6.880 -1.594 -3.802 1.00 0.00 C ATOM 758 C LEU A 46 5.897 -2.216 -4.799 1.00 0.00 C ATOM 759 O LEU A 46 4.744 -2.445 -4.487 1.00 0.00 O ATOM 760 CB LEU A 46 6.135 -1.035 -2.589 1.00 0.00 C ATOM 761 CG LEU A 46 6.999 -1.203 -1.335 1.00 0.00 C ATOM 762 CD1 LEU A 46 7.733 0.107 -1.037 1.00 0.00 C ATOM 763 CD2 LEU A 46 6.108 -1.567 -0.145 1.00 0.00 C ATOM 0 H LEU A 46 7.112 0.483 -4.245 1.00 0.00 H new ATOM 0 HA LEU A 46 7.583 -2.378 -3.521 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.903 0.019 -2.745 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.185 -1.555 -2.461 1.00 0.00 H new ATOM 0 HG LEU A 46 7.727 -1.997 -1.503 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.347 -0.015 -0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.369 0.368 -1.883 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.006 0.902 -0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.723 -1.686 0.747 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.379 -0.773 0.020 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.586 -2.501 -0.354 1.00 0.00 H new ATOM 775 N ARG A 47 6.361 -2.536 -5.985 1.00 0.00 N ATOM 776 CA ARG A 47 5.481 -3.200 -7.003 1.00 0.00 C ATOM 777 C ARG A 47 4.180 -2.410 -7.203 1.00 0.00 C ATOM 778 O ARG A 47 3.121 -2.820 -6.765 1.00 0.00 O ATOM 779 CB ARG A 47 5.183 -4.592 -6.436 1.00 0.00 C ATOM 780 CG ARG A 47 6.222 -5.588 -6.956 1.00 0.00 C ATOM 781 CD ARG A 47 7.434 -5.597 -6.022 1.00 0.00 C ATOM 782 NE ARG A 47 8.537 -6.206 -6.827 1.00 0.00 N ATOM 783 CZ ARG A 47 9.122 -5.541 -7.804 1.00 0.00 C ATOM 784 NH1 ARG A 47 8.795 -4.300 -8.085 1.00 0.00 N ATOM 785 NH2 ARG A 47 10.051 -6.130 -8.508 1.00 0.00 N ATOM 0 H ARG A 47 7.318 -2.365 -6.294 1.00 0.00 H new ATOM 0 HA ARG A 47 5.965 -3.252 -7.978 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.203 -4.565 -5.347 1.00 0.00 H new ATOM 0 HB3 ARG A 47 4.182 -4.909 -6.728 1.00 0.00 H new ATOM 0 HG2 ARG A 47 5.787 -6.586 -7.014 1.00 0.00 H new ATOM 0 HG3 ARG A 47 6.530 -5.315 -7.965 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.691 -4.588 -5.699 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.235 -6.178 -5.122 1.00 0.00 H new ATOM 0 HE ARG A 47 8.843 -7.156 -6.616 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.072 -3.828 -7.542 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.264 -3.809 -8.846 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.316 -7.093 -8.299 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.512 -5.627 -9.267 1.00 0.00 H new ATOM 799 N GLU A 48 4.251 -1.303 -7.898 1.00 0.00 N ATOM 800 CA GLU A 48 3.017 -0.504 -8.176 1.00 0.00 C ATOM 801 C GLU A 48 3.310 0.580 -9.217 1.00 0.00 C ATOM 802 O GLU A 48 2.812 1.687 -9.127 1.00 0.00 O ATOM 803 CB GLU A 48 2.630 0.126 -6.832 1.00 0.00 C ATOM 804 CG GLU A 48 3.786 0.986 -6.299 1.00 0.00 C ATOM 805 CD GLU A 48 3.238 2.302 -5.742 1.00 0.00 C ATOM 806 OE1 GLU A 48 2.137 2.288 -5.216 1.00 0.00 O ATOM 807 OE2 GLU A 48 3.929 3.302 -5.850 1.00 0.00 O ATOM 0 H GLU A 48 5.112 -0.917 -8.286 1.00 0.00 H new ATOM 0 HA GLU A 48 2.213 -1.120 -8.578 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.737 0.739 -6.953 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.386 -0.655 -6.112 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.324 0.446 -5.519 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.500 1.188 -7.098 1.00 0.00 H new ATOM 814 N GLN A 49 4.086 0.258 -10.220 1.00 0.00 N ATOM 815 CA GLN A 49 4.384 1.255 -11.293 1.00 0.00 C ATOM 816 C GLN A 49 4.121 0.642 -12.671 1.00 0.00 C ATOM 817 O GLN A 49 3.505 1.254 -13.524 1.00 0.00 O ATOM 818 CB GLN A 49 5.870 1.588 -11.129 1.00 0.00 C ATOM 819 CG GLN A 49 6.117 2.180 -9.739 1.00 0.00 C ATOM 820 CD GLN A 49 5.386 3.518 -9.611 1.00 0.00 C ATOM 821 OE1 GLN A 49 5.662 4.448 -10.344 1.00 0.00 O ATOM 822 NE2 GLN A 49 4.457 3.656 -8.705 1.00 0.00 N ATOM 0 H GLN A 49 4.527 -0.654 -10.343 1.00 0.00 H new ATOM 0 HA GLN A 49 3.758 2.144 -11.214 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.471 0.689 -11.264 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.180 2.297 -11.897 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.768 1.489 -8.972 1.00 0.00 H new ATOM 0 HG3 GLN A 49 7.186 2.322 -9.578 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.225 2.876 -8.090 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.963 4.544 -8.612 1.00 0.00 H new ATOM 831 N ALA A 50 4.550 -0.577 -12.879 1.00 0.00 N ATOM 832 CA ALA A 50 4.291 -1.256 -14.184 1.00 0.00 C ATOM 833 C ALA A 50 3.331 -2.433 -13.987 1.00 0.00 C ATOM 834 O ALA A 50 3.344 -3.387 -14.742 1.00 0.00 O ATOM 835 CB ALA A 50 5.659 -1.753 -14.650 1.00 0.00 C ATOM 0 H ALA A 50 5.070 -1.132 -12.199 1.00 0.00 H new ATOM 0 HA ALA A 50 3.830 -0.589 -14.912 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.554 -2.265 -15.606 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.334 -0.905 -14.765 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.066 -2.444 -13.911 1.00 0.00 H new ATOM 841 N GLY A 51 2.473 -2.351 -13.001 1.00 0.00 N ATOM 842 CA GLY A 51 1.476 -3.440 -12.775 1.00 0.00 C ATOM 843 C GLY A 51 2.207 -4.740 -12.437 1.00 0.00 C ATOM 844 O GLY A 51 3.251 -4.730 -11.813 1.00 0.00 O ATOM 0 H GLY A 51 2.421 -1.575 -12.342 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.802 -3.168 -11.963 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.863 -3.576 -13.666 1.00 0.00 H new ATOM 848 N GLY A 52 1.683 -5.856 -12.880 1.00 0.00 N ATOM 849 CA GLY A 52 2.363 -7.161 -12.627 1.00 0.00 C ATOM 850 C GLY A 52 1.522 -7.998 -11.662 1.00 0.00 C ATOM 851 O GLY A 52 2.039 -8.815 -10.924 1.00 0.00 O ATOM 0 H GLY A 52 0.812 -5.918 -13.407 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.501 -7.699 -13.565 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.355 -6.991 -12.208 1.00 0.00 H new ATOM 855 N ASP A 53 0.220 -7.828 -11.690 1.00 0.00 N ATOM 856 CA ASP A 53 -0.682 -8.641 -10.807 1.00 0.00 C ATOM 857 C ASP A 53 -0.232 -8.556 -9.343 1.00 0.00 C ATOM 858 O ASP A 53 0.386 -9.464 -8.821 1.00 0.00 O ATOM 859 CB ASP A 53 -0.567 -10.079 -11.322 1.00 0.00 C ATOM 860 CG ASP A 53 -1.727 -10.912 -10.774 1.00 0.00 C ATOM 861 OD1 ASP A 53 -2.863 -10.561 -11.047 1.00 0.00 O ATOM 862 OD2 ASP A 53 -1.460 -11.886 -10.090 1.00 0.00 O ATOM 0 H ASP A 53 -0.260 -7.157 -12.290 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.709 -8.279 -10.839 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.582 -10.088 -12.412 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.384 -10.512 -11.012 1.00 0.00 H new ATOM 867 N ALA A 54 -0.575 -7.484 -8.667 1.00 0.00 N ATOM 868 CA ALA A 54 -0.214 -7.339 -7.217 1.00 0.00 C ATOM 869 C ALA A 54 1.289 -7.564 -7.005 1.00 0.00 C ATOM 870 O ALA A 54 2.055 -7.620 -7.948 1.00 0.00 O ATOM 871 CB ALA A 54 -1.026 -8.412 -6.485 1.00 0.00 C ATOM 0 H ALA A 54 -1.093 -6.698 -9.059 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.436 -6.338 -6.846 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.812 -8.365 -5.417 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.089 -8.239 -6.650 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.755 -9.397 -6.866 1.00 0.00 H new ATOM 877 N THR A 55 1.704 -7.730 -5.774 1.00 0.00 N ATOM 878 CA THR A 55 3.147 -7.997 -5.494 1.00 0.00 C ATOM 879 C THR A 55 3.370 -9.491 -5.251 1.00 0.00 C ATOM 880 O THR A 55 4.043 -9.882 -4.316 1.00 0.00 O ATOM 881 CB THR A 55 3.462 -7.197 -4.227 1.00 0.00 C ATOM 882 OG1 THR A 55 2.834 -5.925 -4.302 1.00 0.00 O ATOM 883 CG2 THR A 55 4.975 -7.014 -4.101 1.00 0.00 C ATOM 0 H THR A 55 1.104 -7.692 -4.950 1.00 0.00 H new ATOM 0 HA THR A 55 3.788 -7.710 -6.327 1.00 0.00 H new ATOM 0 HB THR A 55 3.089 -7.735 -3.356 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.271 -5.307 -3.679 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.199 -6.444 -3.199 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.456 -7.990 -4.042 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.350 -6.477 -4.972 1.00 0.00 H new ATOM 891 N GLU A 56 2.832 -10.333 -6.105 1.00 0.00 N ATOM 892 CA GLU A 56 3.032 -11.813 -5.954 1.00 0.00 C ATOM 893 C GLU A 56 2.648 -12.266 -4.537 1.00 0.00 C ATOM 894 O GLU A 56 1.876 -11.612 -3.862 1.00 0.00 O ATOM 895 CB GLU A 56 4.525 -12.048 -6.218 1.00 0.00 C ATOM 896 CG GLU A 56 4.708 -13.351 -6.998 1.00 0.00 C ATOM 897 CD GLU A 56 5.904 -13.217 -7.943 1.00 0.00 C ATOM 898 OE1 GLU A 56 5.936 -12.256 -8.694 1.00 0.00 O ATOM 899 OE2 GLU A 56 6.767 -14.078 -7.900 1.00 0.00 O ATOM 0 H GLU A 56 2.260 -10.057 -6.904 1.00 0.00 H new ATOM 0 HA GLU A 56 2.407 -12.383 -6.642 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.941 -11.213 -6.782 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.068 -12.098 -5.274 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.867 -14.180 -6.309 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.806 -13.577 -7.566 1.00 0.00 H new ATOM 906 N ASN A 57 3.222 -13.347 -4.064 1.00 0.00 N ATOM 907 CA ASN A 57 2.934 -13.804 -2.666 1.00 0.00 C ATOM 908 C ASN A 57 3.307 -12.705 -1.665 1.00 0.00 C ATOM 909 O ASN A 57 2.612 -12.478 -0.693 1.00 0.00 O ATOM 910 CB ASN A 57 3.812 -15.040 -2.455 1.00 0.00 C ATOM 911 CG ASN A 57 3.226 -16.221 -3.231 1.00 0.00 C ATOM 912 OD1 ASN A 57 2.593 -16.038 -4.252 1.00 0.00 O ATOM 913 ND2 ASN A 57 3.411 -17.434 -2.787 1.00 0.00 N ATOM 0 H ASN A 57 3.876 -13.932 -4.584 1.00 0.00 H new ATOM 0 HA ASN A 57 1.878 -14.029 -2.518 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.829 -14.839 -2.792 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.870 -15.281 -1.394 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.024 -18.228 -3.297 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.942 -17.588 -1.930 1.00 0.00 H new ATOM 920 N PHE A 58 4.367 -11.984 -1.933 1.00 0.00 N ATOM 921 CA PHE A 58 4.758 -10.849 -1.042 1.00 0.00 C ATOM 922 C PHE A 58 5.874 -10.029 -1.698 1.00 0.00 C ATOM 923 O PHE A 58 6.079 -10.095 -2.896 1.00 0.00 O ATOM 924 CB PHE A 58 5.256 -11.504 0.257 1.00 0.00 C ATOM 925 CG PHE A 58 4.417 -11.033 1.424 1.00 0.00 C ATOM 926 CD1 PHE A 58 4.260 -9.663 1.666 1.00 0.00 C ATOM 927 CD2 PHE A 58 3.799 -11.967 2.262 1.00 0.00 C ATOM 928 CE1 PHE A 58 3.484 -9.228 2.747 1.00 0.00 C ATOM 929 CE2 PHE A 58 3.023 -11.532 3.343 1.00 0.00 C ATOM 930 CZ PHE A 58 2.865 -10.163 3.585 1.00 0.00 C ATOM 0 H PHE A 58 4.981 -12.134 -2.734 1.00 0.00 H new ATOM 0 HA PHE A 58 3.929 -10.167 -0.854 1.00 0.00 H new ATOM 0 HB2 PHE A 58 5.200 -12.589 0.172 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.303 -11.251 0.424 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.737 -8.942 1.019 1.00 0.00 H new ATOM 0 HD2 PHE A 58 3.920 -13.024 2.075 1.00 0.00 H new ATOM 0 HE1 PHE A 58 3.363 -8.171 2.934 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.546 -12.253 3.990 1.00 0.00 H new ATOM 0 HZ PHE A 58 2.265 -9.828 4.418 1.00 0.00 H new ATOM 940 N GLU A 59 6.619 -9.291 -0.915 1.00 0.00 N ATOM 941 CA GLU A 59 7.755 -8.500 -1.480 1.00 0.00 C ATOM 942 C GLU A 59 8.948 -9.417 -1.762 1.00 0.00 C ATOM 943 O GLU A 59 9.320 -10.234 -0.941 1.00 0.00 O ATOM 944 CB GLU A 59 8.107 -7.478 -0.398 1.00 0.00 C ATOM 945 CG GLU A 59 7.356 -6.172 -0.665 1.00 0.00 C ATOM 946 CD GLU A 59 7.393 -5.296 0.588 1.00 0.00 C ATOM 947 OE1 GLU A 59 8.432 -5.251 1.226 1.00 0.00 O ATOM 948 OE2 GLU A 59 6.381 -4.686 0.890 1.00 0.00 O ATOM 0 H GLU A 59 6.490 -9.202 0.093 1.00 0.00 H new ATOM 0 HA GLU A 59 7.494 -8.019 -2.423 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.842 -7.868 0.585 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.182 -7.297 -0.390 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.810 -5.644 -1.504 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.324 -6.384 -0.943 1.00 0.00 H new ATOM 955 N ASP A 60 9.572 -9.257 -2.902 1.00 0.00 N ATOM 956 CA ASP A 60 10.771 -10.086 -3.229 1.00 0.00 C ATOM 957 C ASP A 60 12.020 -9.490 -2.572 1.00 0.00 C ATOM 958 O ASP A 60 12.133 -8.290 -2.411 1.00 0.00 O ATOM 959 CB ASP A 60 10.888 -10.030 -4.752 1.00 0.00 C ATOM 960 CG ASP A 60 11.524 -11.324 -5.263 1.00 0.00 C ATOM 961 OD1 ASP A 60 10.897 -12.363 -5.127 1.00 0.00 O ATOM 962 OD2 ASP A 60 12.626 -11.256 -5.782 1.00 0.00 O ATOM 0 H ASP A 60 9.302 -8.586 -3.621 1.00 0.00 H new ATOM 0 HA ASP A 60 10.678 -11.109 -2.865 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.903 -9.896 -5.198 1.00 0.00 H new ATOM 0 HB3 ASP A 60 11.492 -9.173 -5.050 1.00 0.00 H new ATOM 967 N VAL A 61 12.971 -10.321 -2.228 1.00 0.00 N ATOM 968 CA VAL A 61 14.238 -9.808 -1.621 1.00 0.00 C ATOM 969 C VAL A 61 15.346 -9.744 -2.677 1.00 0.00 C ATOM 970 O VAL A 61 16.507 -9.959 -2.383 1.00 0.00 O ATOM 971 CB VAL A 61 14.594 -10.808 -0.514 1.00 0.00 C ATOM 972 CG1 VAL A 61 13.471 -10.838 0.524 1.00 0.00 C ATOM 973 CG2 VAL A 61 14.771 -12.212 -1.106 1.00 0.00 C ATOM 0 H VAL A 61 12.925 -11.334 -2.341 1.00 0.00 H new ATOM 0 HA VAL A 61 14.123 -8.799 -1.226 1.00 0.00 H new ATOM 0 HB VAL A 61 15.527 -10.498 -0.044 1.00 0.00 H new ATOM 0 HG11 VAL A 61 13.722 -11.548 1.312 1.00 0.00 H new ATOM 0 HG12 VAL A 61 13.349 -9.845 0.956 1.00 0.00 H new ATOM 0 HG13 VAL A 61 12.540 -11.142 0.045 1.00 0.00 H new ATOM 0 HG21 VAL A 61 15.024 -12.913 -0.311 1.00 0.00 H new ATOM 0 HG22 VAL A 61 13.843 -12.525 -1.584 1.00 0.00 H new ATOM 0 HG23 VAL A 61 15.573 -12.197 -1.844 1.00 0.00 H new ATOM 983 N GLY A 62 14.998 -9.412 -3.895 1.00 0.00 N ATOM 984 CA GLY A 62 16.029 -9.287 -4.967 1.00 0.00 C ATOM 985 C GLY A 62 16.999 -8.158 -4.615 1.00 0.00 C ATOM 986 O GLY A 62 18.185 -8.377 -4.457 1.00 0.00 O ATOM 0 H GLY A 62 14.041 -9.222 -4.193 1.00 0.00 H new ATOM 0 HA2 GLY A 62 16.572 -10.226 -5.075 1.00 0.00 H new ATOM 0 HA3 GLY A 62 15.550 -9.083 -5.925 1.00 0.00 H new ATOM 990 N HIS A 63 16.495 -6.961 -4.454 1.00 0.00 N ATOM 991 CA HIS A 63 17.375 -5.817 -4.067 1.00 0.00 C ATOM 992 C HIS A 63 17.053 -5.357 -2.640 1.00 0.00 C ATOM 993 O HIS A 63 17.167 -4.190 -2.316 1.00 0.00 O ATOM 994 CB HIS A 63 17.069 -4.706 -5.082 1.00 0.00 C ATOM 995 CG HIS A 63 15.605 -4.346 -5.034 1.00 0.00 C ATOM 996 ND1 HIS A 63 14.744 -4.612 -6.086 1.00 0.00 N ATOM 997 CD2 HIS A 63 14.840 -3.741 -4.067 1.00 0.00 C ATOM 998 CE1 HIS A 63 13.522 -4.172 -5.732 1.00 0.00 C ATOM 999 NE2 HIS A 63 13.525 -3.632 -4.510 1.00 0.00 N ATOM 0 H HIS A 63 15.510 -6.726 -4.574 1.00 0.00 H new ATOM 0 HA HIS A 63 18.430 -6.090 -4.078 1.00 0.00 H new ATOM 0 HB2 HIS A 63 17.675 -3.827 -4.863 1.00 0.00 H new ATOM 0 HB3 HIS A 63 17.337 -5.036 -6.086 1.00 0.00 H new ATOM 0 HD2 HIS A 63 15.204 -3.401 -3.108 1.00 0.00 H new ATOM 0 HE1 HIS A 63 12.646 -4.246 -6.359 1.00 0.00 H new ATOM 0 HE2 HIS A 63 12.734 -3.227 -4.009 1.00 0.00 H new ATOM 1007 N SER A 64 16.688 -6.275 -1.781 1.00 0.00 N ATOM 1008 CA SER A 64 16.400 -5.909 -0.362 1.00 0.00 C ATOM 1009 C SER A 64 17.368 -6.632 0.578 1.00 0.00 C ATOM 1010 O SER A 64 17.803 -7.735 0.304 1.00 0.00 O ATOM 1011 CB SER A 64 14.966 -6.375 -0.117 1.00 0.00 C ATOM 1012 OG SER A 64 14.162 -6.028 -1.237 1.00 0.00 O ATOM 0 H SER A 64 16.577 -7.264 -2.002 1.00 0.00 H new ATOM 0 HA SER A 64 16.519 -4.841 -0.178 1.00 0.00 H new ATOM 0 HB2 SER A 64 14.944 -7.453 0.041 1.00 0.00 H new ATOM 0 HB3 SER A 64 14.570 -5.912 0.787 1.00 0.00 H new ATOM 0 HG SER A 64 13.241 -6.327 -1.084 1.00 0.00 H new ATOM 1018 N THR A 65 17.675 -6.034 1.701 1.00 0.00 N ATOM 1019 CA THR A 65 18.578 -6.698 2.688 1.00 0.00 C ATOM 1020 C THR A 65 17.890 -6.796 4.052 1.00 0.00 C ATOM 1021 O THR A 65 17.943 -7.818 4.710 1.00 0.00 O ATOM 1022 CB THR A 65 19.808 -5.791 2.771 1.00 0.00 C ATOM 1023 OG1 THR A 65 19.406 -4.486 3.161 1.00 0.00 O ATOM 1024 CG2 THR A 65 20.493 -5.730 1.405 1.00 0.00 C ATOM 0 H THR A 65 17.338 -5.112 1.977 1.00 0.00 H new ATOM 0 HA THR A 65 18.839 -7.714 2.391 1.00 0.00 H new ATOM 0 HB THR A 65 20.506 -6.191 3.506 1.00 0.00 H new ATOM 0 HG1 THR A 65 20.193 -3.904 3.216 1.00 0.00 H new ATOM 0 HG21 THR A 65 21.369 -5.084 1.466 1.00 0.00 H new ATOM 0 HG22 THR A 65 20.802 -6.732 1.108 1.00 0.00 H new ATOM 0 HG23 THR A 65 19.798 -5.330 0.667 1.00 0.00 H new ATOM 1032 N ASP A 66 17.213 -5.753 4.460 1.00 0.00 N ATOM 1033 CA ASP A 66 16.479 -5.790 5.760 1.00 0.00 C ATOM 1034 C ASP A 66 15.019 -6.191 5.532 1.00 0.00 C ATOM 1035 O ASP A 66 14.109 -5.562 6.038 1.00 0.00 O ATOM 1036 CB ASP A 66 16.565 -4.364 6.305 1.00 0.00 C ATOM 1037 CG ASP A 66 16.531 -4.398 7.834 1.00 0.00 C ATOM 1038 OD1 ASP A 66 15.816 -5.227 8.372 1.00 0.00 O ATOM 1039 OD2 ASP A 66 17.221 -3.595 8.440 1.00 0.00 O ATOM 0 H ASP A 66 17.137 -4.875 3.947 1.00 0.00 H new ATOM 0 HA ASP A 66 16.903 -6.517 6.453 1.00 0.00 H new ATOM 0 HB2 ASP A 66 17.483 -3.887 5.962 1.00 0.00 H new ATOM 0 HB3 ASP A 66 15.735 -3.768 5.926 1.00 0.00 H new ATOM 1044 N ALA A 67 14.795 -7.257 4.806 1.00 0.00 N ATOM 1045 CA ALA A 67 13.399 -7.735 4.576 1.00 0.00 C ATOM 1046 C ALA A 67 12.919 -8.561 5.773 1.00 0.00 C ATOM 1047 O ALA A 67 12.943 -9.777 5.746 1.00 0.00 O ATOM 1048 CB ALA A 67 13.478 -8.604 3.321 1.00 0.00 C ATOM 0 H ALA A 67 15.522 -7.818 4.362 1.00 0.00 H new ATOM 0 HA ALA A 67 12.695 -6.911 4.456 1.00 0.00 H new ATOM 0 HB1 ALA A 67 12.488 -8.994 3.086 1.00 0.00 H new ATOM 0 HB2 ALA A 67 13.840 -8.005 2.486 1.00 0.00 H new ATOM 0 HB3 ALA A 67 14.163 -9.434 3.496 1.00 0.00 H new ATOM 1054 N ARG A 68 12.449 -7.907 6.805 1.00 0.00 N ATOM 1055 CA ARG A 68 11.923 -8.647 7.991 1.00 0.00 C ATOM 1056 C ARG A 68 10.604 -8.026 8.459 1.00 0.00 C ATOM 1057 O ARG A 68 9.609 -8.708 8.613 1.00 0.00 O ATOM 1058 CB ARG A 68 13.000 -8.490 9.065 1.00 0.00 C ATOM 1059 CG ARG A 68 14.192 -9.389 8.728 1.00 0.00 C ATOM 1060 CD ARG A 68 15.483 -8.734 9.225 1.00 0.00 C ATOM 1061 NE ARG A 68 16.587 -9.520 8.591 1.00 0.00 N ATOM 1062 CZ ARG A 68 17.809 -9.511 9.087 1.00 0.00 C ATOM 1063 NH1 ARG A 68 18.124 -8.779 10.131 1.00 0.00 N ATOM 1064 NH2 ARG A 68 18.730 -10.247 8.525 1.00 0.00 N ATOM 0 H ARG A 68 12.407 -6.890 6.877 1.00 0.00 H new ATOM 0 HA ARG A 68 11.719 -9.694 7.768 1.00 0.00 H new ATOM 0 HB2 ARG A 68 13.321 -7.450 9.124 1.00 0.00 H new ATOM 0 HB3 ARG A 68 12.596 -8.755 10.042 1.00 0.00 H new ATOM 0 HG2 ARG A 68 14.066 -10.367 9.192 1.00 0.00 H new ATOM 0 HG3 ARG A 68 14.245 -9.552 7.652 1.00 0.00 H new ATOM 0 HD2 ARG A 68 15.530 -7.684 8.935 1.00 0.00 H new ATOM 0 HD3 ARG A 68 15.549 -8.768 10.312 1.00 0.00 H new ATOM 0 HE ARG A 68 16.390 -10.074 7.758 1.00 0.00 H new ATOM 0 HH11 ARG A 68 17.415 -8.198 10.579 1.00 0.00 H new ATOM 0 HH12 ARG A 68 19.077 -8.791 10.494 1.00 0.00 H new ATOM 0 HH21 ARG A 68 18.500 -10.819 7.713 1.00 0.00 H new ATOM 0 HH22 ARG A 68 19.679 -10.249 8.898 1.00 0.00 H new ATOM 1078 N GLU A 69 10.583 -6.731 8.648 1.00 0.00 N ATOM 1079 CA GLU A 69 9.321 -6.049 9.062 1.00 0.00 C ATOM 1080 C GLU A 69 9.163 -4.725 8.309 1.00 0.00 C ATOM 1081 O GLU A 69 8.708 -3.740 8.859 1.00 0.00 O ATOM 1082 CB GLU A 69 9.481 -5.797 10.562 1.00 0.00 C ATOM 1083 CG GLU A 69 9.307 -7.113 11.323 1.00 0.00 C ATOM 1084 CD GLU A 69 7.864 -7.600 11.177 1.00 0.00 C ATOM 1085 OE1 GLU A 69 7.585 -8.280 10.203 1.00 0.00 O ATOM 1086 OE2 GLU A 69 7.063 -7.284 12.041 1.00 0.00 O ATOM 0 H GLU A 69 11.388 -6.116 8.533 1.00 0.00 H new ATOM 0 HA GLU A 69 8.437 -6.647 8.841 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.464 -5.373 10.767 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.743 -5.069 10.900 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.996 -7.863 10.936 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.549 -6.971 12.376 1.00 0.00 H new ATOM 1093 N LEU A 70 9.498 -4.710 7.044 1.00 0.00 N ATOM 1094 CA LEU A 70 9.329 -3.467 6.233 1.00 0.00 C ATOM 1095 C LEU A 70 7.877 -3.331 5.765 1.00 0.00 C ATOM 1096 O LEU A 70 7.379 -2.237 5.577 1.00 0.00 O ATOM 1097 CB LEU A 70 10.264 -3.644 5.036 1.00 0.00 C ATOM 1098 CG LEU A 70 10.724 -2.272 4.539 1.00 0.00 C ATOM 1099 CD1 LEU A 70 12.161 -2.370 4.025 1.00 0.00 C ATOM 1100 CD2 LEU A 70 9.809 -1.806 3.404 1.00 0.00 C ATOM 0 H LEU A 70 9.882 -5.507 6.537 1.00 0.00 H new ATOM 0 HA LEU A 70 9.563 -2.568 6.804 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.126 -4.247 5.321 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.751 -4.179 4.237 1.00 0.00 H new ATOM 0 HG LEU A 70 10.679 -1.556 5.360 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.488 -1.392 3.671 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.814 -2.701 4.832 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.206 -3.087 3.205 1.00 0.00 H new ATOM 0 HD21 LEU A 70 10.137 -0.829 3.050 1.00 0.00 H new ATOM 0 HD22 LEU A 70 9.853 -2.522 2.584 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.784 -1.735 3.769 1.00 0.00 H new ATOM 1112 N SER A 71 7.185 -4.433 5.617 1.00 0.00 N ATOM 1113 CA SER A 71 5.750 -4.373 5.209 1.00 0.00 C ATOM 1114 C SER A 71 4.847 -4.406 6.445 1.00 0.00 C ATOM 1115 O SER A 71 3.824 -5.065 6.457 1.00 0.00 O ATOM 1116 CB SER A 71 5.529 -5.616 4.349 1.00 0.00 C ATOM 1117 OG SER A 71 5.479 -6.764 5.187 1.00 0.00 O ATOM 0 H SER A 71 7.554 -5.373 5.762 1.00 0.00 H new ATOM 0 HA SER A 71 5.513 -3.457 4.668 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.601 -5.522 3.785 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.335 -5.717 3.622 1.00 0.00 H new ATOM 0 HG SER A 71 4.634 -6.770 5.684 1.00 0.00 H new ATOM 1123 N LYS A 72 5.197 -3.665 7.466 1.00 0.00 N ATOM 1124 CA LYS A 72 4.338 -3.608 8.687 1.00 0.00 C ATOM 1125 C LYS A 72 4.404 -2.212 9.314 1.00 0.00 C ATOM 1126 O LYS A 72 3.441 -1.468 9.289 1.00 0.00 O ATOM 1127 CB LYS A 72 4.924 -4.658 9.636 1.00 0.00 C ATOM 1128 CG LYS A 72 3.791 -5.457 10.285 1.00 0.00 C ATOM 1129 CD LYS A 72 4.376 -6.452 11.288 1.00 0.00 C ATOM 1130 CE LYS A 72 3.311 -6.820 12.324 1.00 0.00 C ATOM 1131 NZ LYS A 72 4.071 -7.095 13.575 1.00 0.00 N ATOM 0 H LYS A 72 6.043 -3.096 7.506 1.00 0.00 H new ATOM 0 HA LYS A 72 3.289 -3.805 8.465 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.587 -5.328 9.088 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.526 -4.172 10.404 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.098 -4.782 10.788 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.222 -5.987 9.521 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.719 -7.348 10.770 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.245 -6.018 11.783 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.599 -6.006 12.465 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.739 -7.693 12.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.409 -7.355 14.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.736 -7.878 13.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.600 -6.244 13.854 1.00 0.00 H new ATOM 1145 N THR A 73 5.543 -1.840 9.844 1.00 0.00 N ATOM 1146 CA THR A 73 5.687 -0.474 10.437 1.00 0.00 C ATOM 1147 C THR A 73 5.601 0.612 9.349 1.00 0.00 C ATOM 1148 O THR A 73 5.425 1.778 9.649 1.00 0.00 O ATOM 1149 CB THR A 73 7.064 -0.465 11.121 1.00 0.00 C ATOM 1150 OG1 THR A 73 7.240 0.770 11.801 1.00 0.00 O ATOM 1151 CG2 THR A 73 8.181 -0.639 10.086 1.00 0.00 C ATOM 0 H THR A 73 6.379 -2.423 9.892 1.00 0.00 H new ATOM 0 HA THR A 73 4.887 -0.257 11.145 1.00 0.00 H new ATOM 0 HB THR A 73 7.111 -1.292 11.829 1.00 0.00 H new ATOM 0 HG1 THR A 73 8.116 0.780 12.240 1.00 0.00 H new ATOM 0 HG21 THR A 73 9.148 -0.630 10.589 1.00 0.00 H new ATOM 0 HG22 THR A 73 8.051 -1.588 9.567 1.00 0.00 H new ATOM 0 HG23 THR A 73 8.140 0.178 9.365 1.00 0.00 H new ATOM 1159 N TYR A 74 5.676 0.236 8.092 1.00 0.00 N ATOM 1160 CA TYR A 74 5.543 1.243 6.995 1.00 0.00 C ATOM 1161 C TYR A 74 4.092 1.312 6.504 1.00 0.00 C ATOM 1162 O TYR A 74 3.832 1.691 5.376 1.00 0.00 O ATOM 1163 CB TYR A 74 6.453 0.735 5.874 1.00 0.00 C ATOM 1164 CG TYR A 74 7.895 0.794 6.318 1.00 0.00 C ATOM 1165 CD1 TYR A 74 8.419 -0.222 7.125 1.00 0.00 C ATOM 1166 CD2 TYR A 74 8.708 1.862 5.920 1.00 0.00 C ATOM 1167 CE1 TYR A 74 9.757 -0.171 7.535 1.00 0.00 C ATOM 1168 CE2 TYR A 74 10.046 1.913 6.329 1.00 0.00 C ATOM 1169 CZ TYR A 74 10.570 0.897 7.137 1.00 0.00 C ATOM 1170 OH TYR A 74 11.889 0.948 7.541 1.00 0.00 O ATOM 0 H TYR A 74 5.823 -0.724 7.782 1.00 0.00 H new ATOM 0 HA TYR A 74 5.817 2.244 7.327 1.00 0.00 H new ATOM 0 HB2 TYR A 74 6.185 -0.289 5.612 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.314 1.340 4.978 1.00 0.00 H new ATOM 0 HD1 TYR A 74 7.791 -1.046 7.432 1.00 0.00 H new ATOM 0 HD2 TYR A 74 8.303 2.646 5.298 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.162 -0.955 8.158 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.674 2.736 6.021 1.00 0.00 H new ATOM 0 HH TYR A 74 12.312 1.753 7.177 1.00 0.00 H new ATOM 1180 N ILE A 75 3.146 0.955 7.339 1.00 0.00 N ATOM 1181 CA ILE A 75 1.713 1.008 6.915 1.00 0.00 C ATOM 1182 C ILE A 75 0.955 2.065 7.725 1.00 0.00 C ATOM 1183 O ILE A 75 1.418 2.524 8.752 1.00 0.00 O ATOM 1184 CB ILE A 75 1.148 -0.389 7.198 1.00 0.00 C ATOM 1185 CG1 ILE A 75 1.985 -1.449 6.473 1.00 0.00 C ATOM 1186 CG2 ILE A 75 -0.292 -0.462 6.692 1.00 0.00 C ATOM 1187 CD1 ILE A 75 1.520 -2.844 6.895 1.00 0.00 C ATOM 0 H ILE A 75 3.304 0.630 8.293 1.00 0.00 H new ATOM 0 HA ILE A 75 1.613 1.279 5.864 1.00 0.00 H new ATOM 0 HB ILE A 75 1.178 -0.576 8.271 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.884 -1.332 5.394 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.041 -1.319 6.711 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.698 -1.454 6.891 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.896 0.287 7.204 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.311 -0.271 5.619 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.115 -3.597 6.379 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.644 -2.958 7.972 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.469 -2.971 6.635 1.00 0.00 H new ATOM 1199 N ILE A 76 -0.214 2.441 7.271 1.00 0.00 N ATOM 1200 CA ILE A 76 -1.024 3.459 8.012 1.00 0.00 C ATOM 1201 C ILE A 76 -2.446 2.943 8.271 1.00 0.00 C ATOM 1202 O ILE A 76 -3.022 3.195 9.313 1.00 0.00 O ATOM 1203 CB ILE A 76 -1.052 4.696 7.105 1.00 0.00 C ATOM 1204 CG1 ILE A 76 -1.597 4.323 5.715 1.00 0.00 C ATOM 1205 CG2 ILE A 76 0.369 5.246 6.969 1.00 0.00 C ATOM 1206 CD1 ILE A 76 -1.679 5.571 4.833 1.00 0.00 C ATOM 0 H ILE A 76 -0.644 2.087 6.417 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.594 3.682 8.988 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.702 5.452 7.545 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.950 3.580 5.249 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.584 3.870 5.812 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.359 6.126 6.326 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.749 5.521 7.953 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.014 4.484 6.531 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.066 5.298 3.851 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.345 6.300 5.295 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.685 6.005 4.724 1.00 0.00 H new ATOM 1218 N GLY A 77 -3.010 2.215 7.340 1.00 0.00 N ATOM 1219 CA GLY A 77 -4.385 1.669 7.537 1.00 0.00 C ATOM 1220 C GLY A 77 -4.764 0.805 6.335 1.00 0.00 C ATOM 1221 O GLY A 77 -3.910 0.261 5.660 1.00 0.00 O ATOM 0 H GLY A 77 -2.575 1.975 6.449 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.426 1.077 8.452 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.099 2.484 7.653 1.00 0.00 H new ATOM 1225 N GLU A 78 -6.035 0.718 6.031 1.00 0.00 N ATOM 1226 CA GLU A 78 -6.467 -0.062 4.835 1.00 0.00 C ATOM 1227 C GLU A 78 -7.219 0.841 3.855 1.00 0.00 C ATOM 1228 O GLU A 78 -7.367 2.028 4.081 1.00 0.00 O ATOM 1229 CB GLU A 78 -7.395 -1.148 5.375 1.00 0.00 C ATOM 1230 CG GLU A 78 -6.576 -2.391 5.729 1.00 0.00 C ATOM 1231 CD GLU A 78 -7.521 -3.549 6.055 1.00 0.00 C ATOM 1232 OE1 GLU A 78 -8.557 -3.294 6.647 1.00 0.00 O ATOM 1233 OE2 GLU A 78 -7.193 -4.672 5.707 1.00 0.00 O ATOM 0 H GLU A 78 -6.790 1.154 6.560 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.619 -0.483 4.295 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -7.923 -0.784 6.257 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.151 -1.398 4.631 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.927 -2.661 4.896 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.930 -2.183 6.582 1.00 0.00 H new ATOM 1240 N LEU A 79 -7.741 0.274 2.797 1.00 0.00 N ATOM 1241 CA LEU A 79 -8.541 1.079 1.827 1.00 0.00 C ATOM 1242 C LEU A 79 -10.019 0.692 1.913 1.00 0.00 C ATOM 1243 O LEU A 79 -10.355 -0.457 2.129 1.00 0.00 O ATOM 1244 CB LEU A 79 -7.974 0.723 0.452 1.00 0.00 C ATOM 1245 CG LEU A 79 -8.455 1.746 -0.579 1.00 0.00 C ATOM 1246 CD1 LEU A 79 -7.380 1.934 -1.652 1.00 0.00 C ATOM 1247 CD2 LEU A 79 -9.746 1.245 -1.234 1.00 0.00 C ATOM 0 H LEU A 79 -7.647 -0.714 2.563 1.00 0.00 H new ATOM 0 HA LEU A 79 -8.479 2.148 2.029 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.885 0.712 0.488 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -8.294 -0.278 0.163 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.645 2.698 -0.083 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.723 2.663 -2.387 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.461 2.291 -1.188 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.190 0.982 -2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.088 1.974 -1.968 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.557 0.293 -1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.513 1.111 -0.471 1.00 0.00 H new ATOM 1259 N HIS A 80 -10.902 1.634 1.692 1.00 0.00 N ATOM 1260 CA HIS A 80 -12.363 1.314 1.701 1.00 0.00 C ATOM 1261 C HIS A 80 -12.683 0.286 0.600 1.00 0.00 C ATOM 1262 O HIS A 80 -12.587 0.601 -0.569 1.00 0.00 O ATOM 1263 CB HIS A 80 -13.067 2.641 1.406 1.00 0.00 C ATOM 1264 CG HIS A 80 -14.475 2.591 1.935 1.00 0.00 C ATOM 1265 ND1 HIS A 80 -15.193 1.408 2.016 1.00 0.00 N ATOM 1266 CD2 HIS A 80 -15.310 3.570 2.414 1.00 0.00 C ATOM 1267 CE1 HIS A 80 -16.403 1.702 2.526 1.00 0.00 C ATOM 1268 NE2 HIS A 80 -16.527 3.006 2.786 1.00 0.00 N ATOM 0 H HIS A 80 -10.674 2.611 1.506 1.00 0.00 H new ATOM 0 HA HIS A 80 -12.684 0.885 2.650 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -12.523 3.464 1.868 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -13.077 2.829 0.332 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -15.061 4.618 2.491 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -17.179 0.972 2.703 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -17.339 3.486 3.174 1.00 0.00 H new ATOM 1276 N PRO A 81 -13.054 -0.921 0.995 1.00 0.00 N ATOM 1277 CA PRO A 81 -13.381 -1.979 -0.005 1.00 0.00 C ATOM 1278 C PRO A 81 -14.409 -1.474 -1.028 1.00 0.00 C ATOM 1279 O PRO A 81 -14.443 -1.924 -2.157 1.00 0.00 O ATOM 1280 CB PRO A 81 -13.973 -3.104 0.840 1.00 0.00 C ATOM 1281 CG PRO A 81 -13.405 -2.899 2.206 1.00 0.00 C ATOM 1282 CD PRO A 81 -13.202 -1.418 2.375 1.00 0.00 C ATOM 0 HA PRO A 81 -12.512 -2.291 -0.584 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -15.062 -3.057 0.854 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -13.702 -4.082 0.442 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.082 -3.286 2.968 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -12.462 -3.434 2.317 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -14.050 -0.953 2.878 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.318 -1.202 2.975 1.00 0.00 H new ATOM 1290 N ASP A 82 -15.216 -0.516 -0.647 1.00 0.00 N ATOM 1291 CA ASP A 82 -16.214 0.057 -1.605 1.00 0.00 C ATOM 1292 C ASP A 82 -15.506 0.648 -2.829 1.00 0.00 C ATOM 1293 O ASP A 82 -16.068 0.716 -3.906 1.00 0.00 O ATOM 1294 CB ASP A 82 -16.937 1.157 -0.824 1.00 0.00 C ATOM 1295 CG ASP A 82 -18.088 1.710 -1.666 1.00 0.00 C ATOM 1296 OD1 ASP A 82 -19.148 1.105 -1.655 1.00 0.00 O ATOM 1297 OD2 ASP A 82 -17.891 2.728 -2.309 1.00 0.00 O ATOM 0 H ASP A 82 -15.228 -0.105 0.286 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.904 -0.702 -1.974 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -17.319 0.759 0.116 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -16.240 1.956 -0.572 1.00 0.00 H new ATOM 1302 N ASP A 83 -14.269 1.053 -2.676 1.00 0.00 N ATOM 1303 CA ASP A 83 -13.510 1.614 -3.834 1.00 0.00 C ATOM 1304 C ASP A 83 -12.577 0.556 -4.435 1.00 0.00 C ATOM 1305 O ASP A 83 -12.205 0.636 -5.591 1.00 0.00 O ATOM 1306 CB ASP A 83 -12.702 2.773 -3.250 1.00 0.00 C ATOM 1307 CG ASP A 83 -13.522 4.061 -3.332 1.00 0.00 C ATOM 1308 OD1 ASP A 83 -14.439 4.207 -2.541 1.00 0.00 O ATOM 1309 OD2 ASP A 83 -13.219 4.880 -4.184 1.00 0.00 O ATOM 0 H ASP A 83 -13.752 1.019 -1.797 1.00 0.00 H new ATOM 0 HA ASP A 83 -14.171 1.937 -4.638 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.441 2.562 -2.213 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.767 2.890 -3.797 1.00 0.00 H new ATOM 1314 N ARG A 84 -12.214 -0.446 -3.669 1.00 0.00 N ATOM 1315 CA ARG A 84 -11.324 -1.527 -4.205 1.00 0.00 C ATOM 1316 C ARG A 84 -11.939 -2.162 -5.458 1.00 0.00 C ATOM 1317 O ARG A 84 -12.953 -1.712 -5.957 1.00 0.00 O ATOM 1318 CB ARG A 84 -11.223 -2.561 -3.080 1.00 0.00 C ATOM 1319 CG ARG A 84 -9.972 -2.286 -2.243 1.00 0.00 C ATOM 1320 CD ARG A 84 -8.809 -3.131 -2.768 1.00 0.00 C ATOM 1321 NE ARG A 84 -9.175 -4.544 -2.441 1.00 0.00 N ATOM 1322 CZ ARG A 84 -8.632 -5.560 -3.083 1.00 0.00 C ATOM 1323 NH1 ARG A 84 -7.715 -5.381 -4.006 1.00 0.00 N ATOM 1324 NH2 ARG A 84 -9.015 -6.774 -2.793 1.00 0.00 N ATOM 0 H ARG A 84 -12.495 -0.562 -2.696 1.00 0.00 H new ATOM 0 HA ARG A 84 -10.347 -1.140 -4.494 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -12.112 -2.516 -2.450 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -11.179 -3.566 -3.499 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.716 -1.227 -2.290 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -10.163 -2.522 -1.196 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.677 -2.996 -3.842 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -7.870 -2.847 -2.293 1.00 0.00 H new ATOM 0 HE ARG A 84 -9.859 -4.726 -1.706 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -7.406 -4.438 -4.242 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -7.312 -6.185 -4.487 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -9.726 -6.927 -2.078 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -8.603 -7.569 -3.282 1.00 0.00 H new ATOM 1338 N SER A 85 -11.344 -3.220 -5.949 1.00 0.00 N ATOM 1339 CA SER A 85 -11.903 -3.911 -7.151 1.00 0.00 C ATOM 1340 C SER A 85 -13.159 -4.703 -6.773 1.00 0.00 C ATOM 1341 O SER A 85 -13.134 -5.916 -6.680 1.00 0.00 O ATOM 1342 CB SER A 85 -10.795 -4.852 -7.624 1.00 0.00 C ATOM 1343 OG SER A 85 -9.816 -4.105 -8.334 1.00 0.00 O ATOM 0 H SER A 85 -10.494 -3.636 -5.569 1.00 0.00 H new ATOM 0 HA SER A 85 -12.196 -3.207 -7.930 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.338 -5.353 -6.770 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.211 -5.629 -8.265 1.00 0.00 H new ATOM 0 HG SER A 85 -9.103 -4.705 -8.637 1.00 0.00 H new ATOM 1349 N LYS A 86 -14.265 -4.026 -6.599 1.00 0.00 N ATOM 1350 CA LYS A 86 -15.544 -4.733 -6.278 1.00 0.00 C ATOM 1351 C LYS A 86 -16.724 -3.761 -6.378 1.00 0.00 C ATOM 1352 O LYS A 86 -17.282 -3.343 -5.381 1.00 0.00 O ATOM 1353 CB LYS A 86 -15.381 -5.244 -4.841 1.00 0.00 C ATOM 1354 CG LYS A 86 -15.067 -4.075 -3.894 1.00 0.00 C ATOM 1355 CD LYS A 86 -15.906 -4.198 -2.614 1.00 0.00 C ATOM 1356 CE LYS A 86 -17.059 -3.191 -2.653 1.00 0.00 C ATOM 1357 NZ LYS A 86 -17.408 -2.951 -1.225 1.00 0.00 N ATOM 0 H LYS A 86 -14.339 -3.011 -6.665 1.00 0.00 H new ATOM 0 HA LYS A 86 -15.745 -5.550 -6.971 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -16.294 -5.746 -4.520 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -14.579 -5.981 -4.798 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -14.006 -4.073 -3.645 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -15.280 -3.128 -4.389 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -16.298 -5.211 -2.521 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -15.281 -4.016 -1.739 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -16.759 -2.267 -3.147 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -17.910 -3.587 -3.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -18.015 -2.110 -1.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -17.915 -3.777 -0.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -16.538 -2.798 -0.676 1.00 0.00 H new ATOM 1371 N ILE A 87 -17.132 -3.434 -7.578 1.00 0.00 N ATOM 1372 CA ILE A 87 -18.307 -2.526 -7.756 1.00 0.00 C ATOM 1373 C ILE A 87 -19.576 -3.350 -8.005 1.00 0.00 C ATOM 1374 O ILE A 87 -20.519 -2.885 -8.619 1.00 0.00 O ATOM 1375 CB ILE A 87 -17.967 -1.663 -8.980 1.00 0.00 C ATOM 1376 CG1 ILE A 87 -16.640 -0.918 -8.751 1.00 0.00 C ATOM 1377 CG2 ILE A 87 -19.088 -0.647 -9.224 1.00 0.00 C ATOM 1378 CD1 ILE A 87 -16.741 -0.013 -7.516 1.00 0.00 C ATOM 0 H ILE A 87 -16.701 -3.757 -8.444 1.00 0.00 H new ATOM 0 HA ILE A 87 -18.495 -1.914 -6.874 1.00 0.00 H new ATOM 0 HB ILE A 87 -17.867 -2.311 -9.851 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -15.831 -1.636 -8.618 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -16.395 -0.320 -9.629 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -18.843 -0.037 -10.093 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -20.025 -1.175 -9.404 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -19.195 -0.006 -8.349 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -15.795 0.507 -7.368 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -17.537 0.717 -7.664 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -16.964 -0.619 -6.638 1.00 0.00 H new ATOM 1390 N ALA A 88 -19.625 -4.552 -7.487 1.00 0.00 N ATOM 1391 CA ALA A 88 -20.852 -5.390 -7.640 1.00 0.00 C ATOM 1392 C ALA A 88 -21.915 -4.956 -6.626 1.00 0.00 C ATOM 1393 O ALA A 88 -21.716 -4.026 -5.868 1.00 0.00 O ATOM 1394 CB ALA A 88 -20.394 -6.821 -7.359 1.00 0.00 C ATOM 0 H ALA A 88 -18.866 -4.989 -6.964 1.00 0.00 H new ATOM 0 HA ALA A 88 -21.298 -5.294 -8.630 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -21.242 -7.499 -7.452 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -19.623 -7.104 -8.076 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -19.990 -6.882 -6.349 1.00 0.00 H new ATOM 1400 N LYS A 89 -23.024 -5.649 -6.584 1.00 0.00 N ATOM 1401 CA LYS A 89 -24.088 -5.310 -5.591 1.00 0.00 C ATOM 1402 C LYS A 89 -24.662 -6.595 -4.968 1.00 0.00 C ATOM 1403 O LYS A 89 -25.832 -6.887 -5.130 1.00 0.00 O ATOM 1404 CB LYS A 89 -25.157 -4.570 -6.398 1.00 0.00 C ATOM 1405 CG LYS A 89 -24.685 -3.143 -6.684 1.00 0.00 C ATOM 1406 CD LYS A 89 -25.216 -2.202 -5.602 1.00 0.00 C ATOM 1407 CE LYS A 89 -24.650 -0.797 -5.823 1.00 0.00 C ATOM 1408 NZ LYS A 89 -23.260 -0.855 -5.292 1.00 0.00 N ATOM 0 H LYS A 89 -23.239 -6.436 -7.196 1.00 0.00 H new ATOM 0 HA LYS A 89 -23.711 -4.704 -4.767 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -25.350 -5.095 -7.334 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -26.096 -4.550 -5.845 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -23.596 -3.107 -6.709 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -25.037 -2.822 -7.664 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -26.305 -2.175 -5.631 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -24.932 -2.569 -4.615 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -24.658 -0.530 -6.880 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -25.242 -0.046 -5.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -23.176 -0.226 -4.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -23.038 -1.830 -5.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -22.594 -0.550 -6.030 1.00 0.00 H new ATOM 1422 N PRO A 90 -23.822 -7.333 -4.267 1.00 0.00 N ATOM 1423 CA PRO A 90 -24.275 -8.598 -3.620 1.00 0.00 C ATOM 1424 C PRO A 90 -25.512 -8.355 -2.745 1.00 0.00 C ATOM 1425 O PRO A 90 -25.765 -7.249 -2.307 1.00 0.00 O ATOM 1426 CB PRO A 90 -23.083 -9.007 -2.757 1.00 0.00 C ATOM 1427 CG PRO A 90 -21.901 -8.362 -3.402 1.00 0.00 C ATOM 1428 CD PRO A 90 -22.392 -7.077 -4.014 1.00 0.00 C ATOM 0 HA PRO A 90 -24.562 -9.361 -4.344 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -23.205 -8.668 -1.728 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -22.973 -10.091 -2.724 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -21.118 -8.168 -2.669 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -21.471 -9.014 -4.163 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -22.250 -6.233 -3.340 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -21.858 -6.843 -4.935 1.00 0.00 H new ATOM 1436 N SER A 91 -26.262 -9.393 -2.456 1.00 0.00 N ATOM 1437 CA SER A 91 -27.465 -9.251 -1.570 1.00 0.00 C ATOM 1438 C SER A 91 -28.389 -8.137 -2.080 1.00 0.00 C ATOM 1439 O SER A 91 -28.314 -7.733 -3.224 1.00 0.00 O ATOM 1440 CB SER A 91 -26.913 -8.900 -0.186 1.00 0.00 C ATOM 1441 OG SER A 91 -27.984 -8.850 0.747 1.00 0.00 O ATOM 0 H SER A 91 -26.092 -10.339 -2.798 1.00 0.00 H new ATOM 0 HA SER A 91 -28.059 -10.164 -1.550 1.00 0.00 H new ATOM 0 HB2 SER A 91 -26.179 -9.643 0.125 1.00 0.00 H new ATOM 0 HB3 SER A 91 -26.399 -7.939 -0.219 1.00 0.00 H new ATOM 0 HG SER A 91 -27.634 -8.627 1.635 1.00 0.00 H new ATOM 1447 N GLU A 92 -29.235 -7.614 -1.223 1.00 0.00 N ATOM 1448 CA GLU A 92 -30.145 -6.490 -1.627 1.00 0.00 C ATOM 1449 C GLU A 92 -30.933 -6.856 -2.891 1.00 0.00 C ATOM 1450 O GLU A 92 -31.288 -6.000 -3.679 1.00 0.00 O ATOM 1451 CB GLU A 92 -29.224 -5.296 -1.895 1.00 0.00 C ATOM 1452 CG GLU A 92 -28.541 -4.875 -0.592 1.00 0.00 C ATOM 1453 CD GLU A 92 -27.593 -3.706 -0.867 1.00 0.00 C ATOM 1454 OE1 GLU A 92 -28.045 -2.575 -0.800 1.00 0.00 O ATOM 1455 OE2 GLU A 92 -26.432 -3.962 -1.139 1.00 0.00 O ATOM 0 H GLU A 92 -29.336 -7.919 -0.255 1.00 0.00 H new ATOM 0 HA GLU A 92 -30.880 -6.270 -0.853 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -28.475 -5.561 -2.641 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -29.799 -4.464 -2.302 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -29.289 -4.585 0.146 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -27.988 -5.715 -0.171 1.00 0.00 H new ATOM 1462 N THR A 93 -31.239 -8.117 -3.065 1.00 0.00 N ATOM 1463 CA THR A 93 -32.042 -8.542 -4.250 1.00 0.00 C ATOM 1464 C THR A 93 -33.045 -9.627 -3.847 1.00 0.00 C ATOM 1465 O THR A 93 -34.210 -9.563 -4.191 1.00 0.00 O ATOM 1466 CB THR A 93 -31.019 -9.099 -5.242 1.00 0.00 C ATOM 1467 OG1 THR A 93 -30.078 -9.905 -4.547 1.00 0.00 O ATOM 1468 CG2 THR A 93 -30.294 -7.943 -5.932 1.00 0.00 C ATOM 0 H THR A 93 -30.966 -8.872 -2.435 1.00 0.00 H new ATOM 0 HA THR A 93 -32.617 -7.720 -4.676 1.00 0.00 H new ATOM 0 HB THR A 93 -31.530 -9.703 -5.992 1.00 0.00 H new ATOM 0 HG1 THR A 93 -29.423 -10.264 -5.181 1.00 0.00 H new ATOM 0 HG21 THR A 93 -29.565 -8.340 -6.639 1.00 0.00 H new ATOM 0 HG22 THR A 93 -31.017 -7.326 -6.465 1.00 0.00 H new ATOM 0 HG23 THR A 93 -29.782 -7.337 -5.185 1.00 0.00 H new ATOM 1476 N LEU A 94 -32.606 -10.599 -3.089 1.00 0.00 N ATOM 1477 CA LEU A 94 -33.536 -11.669 -2.620 1.00 0.00 C ATOM 1478 C LEU A 94 -34.305 -11.198 -1.383 1.00 0.00 C ATOM 1479 O LEU A 94 -33.661 -10.851 -0.406 1.00 0.00 O ATOM 1480 CB LEU A 94 -32.634 -12.853 -2.271 1.00 0.00 C ATOM 1481 CG LEU A 94 -32.241 -13.591 -3.552 1.00 0.00 C ATOM 1482 CD1 LEU A 94 -30.967 -14.401 -3.306 1.00 0.00 C ATOM 1483 CD2 LEU A 94 -33.373 -14.535 -3.963 1.00 0.00 C ATOM 1484 OXT LEU A 94 -35.524 -11.191 -1.434 1.00 0.00 O ATOM 0 H LEU A 94 -31.641 -10.698 -2.774 1.00 0.00 H new ATOM 0 HA LEU A 94 -34.278 -11.930 -3.374 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -31.742 -12.503 -1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -33.152 -13.531 -1.593 1.00 0.00 H new ATOM 0 HG LEU A 94 -32.062 -12.867 -4.347 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -30.688 -14.926 -4.219 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -30.160 -13.730 -3.013 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -31.144 -15.125 -2.511 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -33.094 -15.062 -4.876 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -33.551 -15.258 -3.167 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -34.281 -13.959 -4.139 1.00 0.00 H new TER 1496 LEU A 94