USER MOD reduce.3.24.130724 H: found=0, std=0, add=357, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 357 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 49 HIS : no HE2:sc= 1.06 K(o=1.8,f=-6.4!) USER MOD Set 1.2: A 58 SER OG : rot -94:sc= 0.73 USER MOD Set 2.1: A 55 TYR OH : rot 107:sc= 2.08 USER MOD Set 2.2: A 70 HIS : no HD1:sc= 0.897 K(o=3,f=-4.8!) USER MOD Set 3.1: A 45 GLN : amide:sc= -0.781! K(o=-0.8!,f=-3.3) USER MOD Set 3.2: A 46 HIS : no HD1:sc= -0.0147 K(o=-0.8,f=-12!) USER MOD Set 4.1: A 33 SER OG : rot 88:sc= 1.25 USER MOD Set 4.2: A 43 GLN : amide:sc= 2.61 K(o=3.9,f=-1.8!) USER MOD Single : A 31 SER OG : rot -76:sc= 1.14 USER MOD Single : A 34 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0142) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 1.87 K(o=1.9,f=-9.5!) USER MOD Single : A 50 ASN : amide:sc= 1.63 K(o=1.6,f=-0.88) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 2.15 K(o=2.2,f=-0.068) USER MOD Single : A 71 SER OG : rot -47:sc= 0.758 USER MOD Single : A 73 GLN : amide:sc= 0.961 K(o=0.96,f=-0.027) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 23 -21.611 2.944 -1.415 1.00 0.00 N ATOM 2 CA ALA A 23 -21.659 3.578 -2.744 1.00 0.00 C ATOM 3 C ALA A 23 -20.230 3.946 -3.126 1.00 0.00 C ATOM 4 O ALA A 23 -19.325 3.461 -2.448 1.00 0.00 O ATOM 5 CB ALA A 23 -22.605 4.785 -2.746 1.00 0.00 C ATOM 0 HA ALA A 23 -22.064 2.893 -3.489 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -22.621 5.233 -3.739 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -23.610 4.460 -2.479 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -22.257 5.521 -2.021 1.00 0.00 H new ATOM 13 N VAL A 24 -20.020 4.746 -4.174 1.00 0.00 N ATOM 14 CA VAL A 24 -18.681 5.184 -4.546 1.00 0.00 C ATOM 15 C VAL A 24 -18.094 6.044 -3.420 1.00 0.00 C ATOM 16 O VAL A 24 -18.837 6.611 -2.620 1.00 0.00 O ATOM 17 CB VAL A 24 -18.702 5.932 -5.892 1.00 0.00 C ATOM 18 CG1 VAL A 24 -19.175 5.006 -7.020 1.00 0.00 C ATOM 19 CG2 VAL A 24 -19.573 7.196 -5.863 1.00 0.00 C ATOM 0 H VAL A 24 -20.762 5.101 -4.777 1.00 0.00 H new ATOM 0 HA VAL A 24 -18.039 4.313 -4.681 1.00 0.00 H new ATOM 0 HB VAL A 24 -17.676 6.249 -6.080 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -19.182 5.554 -7.962 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -18.498 4.156 -7.101 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -20.181 4.649 -6.800 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -19.547 7.678 -6.840 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -20.600 6.925 -5.620 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -19.191 7.884 -5.109 1.00 0.00 H new ATOM 29 N ASP A 25 -16.765 6.127 -3.354 1.00 0.00 N ATOM 30 CA ASP A 25 -16.030 6.891 -2.360 1.00 0.00 C ATOM 31 C ASP A 25 -14.611 7.062 -2.897 1.00 0.00 C ATOM 32 O ASP A 25 -14.214 6.333 -3.806 1.00 0.00 O ATOM 33 CB ASP A 25 -16.035 6.137 -1.020 1.00 0.00 C ATOM 34 CG ASP A 25 -15.200 6.829 0.055 1.00 0.00 C ATOM 35 OD1 ASP A 25 -15.214 8.080 0.073 1.00 0.00 O ATOM 36 OD2 ASP A 25 -14.543 6.096 0.824 1.00 0.00 O ATOM 0 H ASP A 25 -16.155 5.646 -4.015 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.483 7.866 -2.183 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -17.062 6.039 -0.668 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -15.654 5.128 -1.175 1.00 0.00 H new ATOM 41 N LEU A 26 -13.849 8.012 -2.354 1.00 0.00 N ATOM 42 CA LEU A 26 -12.470 8.250 -2.753 1.00 0.00 C ATOM 43 C LEU A 26 -11.609 7.171 -2.100 1.00 0.00 C ATOM 44 O LEU A 26 -10.830 7.451 -1.189 1.00 0.00 O ATOM 45 CB LEU A 26 -12.013 9.656 -2.326 1.00 0.00 C ATOM 46 CG LEU A 26 -12.586 10.827 -3.143 1.00 0.00 C ATOM 47 CD1 LEU A 26 -12.067 10.838 -4.586 1.00 0.00 C ATOM 48 CD2 LEU A 26 -14.116 10.864 -3.136 1.00 0.00 C ATOM 0 H LEU A 26 -14.178 8.640 -1.620 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.374 8.202 -3.838 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.282 9.802 -1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -10.925 9.696 -2.384 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.230 11.727 -2.643 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -12.500 11.683 -5.122 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.981 10.929 -4.581 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.351 9.910 -5.082 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -14.462 11.711 -3.728 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -14.504 9.939 -3.563 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -14.473 10.968 -2.111 1.00 0.00 H new ATOM 60 N ASP A 27 -11.751 5.924 -2.552 1.00 0.00 N ATOM 61 CA ASP A 27 -11.001 4.806 -2.031 1.00 0.00 C ATOM 62 C ASP A 27 -9.582 4.861 -2.598 1.00 0.00 C ATOM 63 O ASP A 27 -9.211 4.099 -3.491 1.00 0.00 O ATOM 64 CB ASP A 27 -11.766 3.498 -2.288 1.00 0.00 C ATOM 65 CG ASP A 27 -11.946 3.166 -3.767 1.00 0.00 C ATOM 66 OD1 ASP A 27 -12.469 4.043 -4.488 1.00 0.00 O ATOM 67 OD2 ASP A 27 -11.566 2.041 -4.157 1.00 0.00 O ATOM 0 H ASP A 27 -12.399 5.671 -3.298 1.00 0.00 H new ATOM 0 HA ASP A 27 -10.893 4.855 -0.947 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.236 2.678 -1.804 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -12.748 3.565 -1.819 1.00 0.00 H new ATOM 72 N GLU A 28 -8.805 5.829 -2.105 1.00 0.00 N ATOM 73 CA GLU A 28 -7.408 6.024 -2.410 1.00 0.00 C ATOM 74 C GLU A 28 -6.698 4.705 -2.172 1.00 0.00 C ATOM 75 O GLU A 28 -7.035 3.971 -1.245 1.00 0.00 O ATOM 76 CB GLU A 28 -6.789 7.063 -1.465 1.00 0.00 C ATOM 77 CG GLU A 28 -7.369 8.473 -1.619 1.00 0.00 C ATOM 78 CD GLU A 28 -6.766 9.456 -0.616 1.00 0.00 C ATOM 79 OE1 GLU A 28 -5.775 9.077 0.046 1.00 0.00 O ATOM 80 OE2 GLU A 28 -7.312 10.577 -0.529 1.00 0.00 O ATOM 0 H GLU A 28 -9.162 6.526 -1.451 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.307 6.367 -3.440 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.932 6.733 -0.436 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.714 7.103 -1.640 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.186 8.831 -2.632 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.450 8.436 -1.485 1.00 0.00 H new ATOM 87 N CYS A 29 -5.734 4.417 -3.032 1.00 0.00 N ATOM 88 CA CYS A 29 -4.871 3.236 -3.011 1.00 0.00 C ATOM 89 C CYS A 29 -5.629 2.033 -3.555 1.00 0.00 C ATOM 90 O CYS A 29 -5.139 1.344 -4.445 1.00 0.00 O ATOM 91 CB CYS A 29 -4.270 3.030 -1.612 1.00 0.00 C ATOM 92 SG CYS A 29 -3.117 1.675 -1.334 1.00 0.00 S ATOM 0 H CYS A 29 -5.516 5.036 -3.813 1.00 0.00 H new ATOM 0 HA CYS A 29 -4.016 3.379 -3.672 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -3.762 3.954 -1.336 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -5.099 2.902 -0.916 1.00 0.00 H new ATOM 97 N ALA A 30 -6.844 1.822 -3.048 1.00 0.00 N ATOM 98 CA ALA A 30 -7.744 0.779 -3.491 1.00 0.00 C ATOM 99 C ALA A 30 -8.014 0.919 -4.993 1.00 0.00 C ATOM 100 O ALA A 30 -7.488 0.149 -5.799 1.00 0.00 O ATOM 101 CB ALA A 30 -9.033 0.881 -2.668 1.00 0.00 C ATOM 0 H ALA A 30 -7.232 2.393 -2.297 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.301 -0.205 -3.338 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -9.729 0.104 -2.984 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.801 0.752 -1.611 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.487 1.860 -2.823 1.00 0.00 H new ATOM 107 N SER A 31 -8.800 1.939 -5.361 1.00 0.00 N ATOM 108 CA SER A 31 -9.207 2.225 -6.734 1.00 0.00 C ATOM 109 C SER A 31 -8.028 2.135 -7.696 1.00 0.00 C ATOM 110 O SER A 31 -8.106 1.473 -8.732 1.00 0.00 O ATOM 111 CB SER A 31 -9.811 3.632 -6.808 1.00 0.00 C ATOM 112 OG SER A 31 -8.950 4.572 -6.187 1.00 0.00 O ATOM 0 H SER A 31 -9.179 2.605 -4.688 1.00 0.00 H new ATOM 0 HA SER A 31 -9.947 1.480 -7.027 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.974 3.911 -7.849 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.785 3.643 -6.319 1.00 0.00 H new ATOM 0 HG SER A 31 -9.029 4.494 -5.213 1.00 0.00 H new ATOM 118 N ARG A 32 -6.938 2.800 -7.305 1.00 0.00 N ATOM 119 CA ARG A 32 -5.688 2.917 -8.041 1.00 0.00 C ATOM 120 C ARG A 32 -5.157 1.583 -8.588 1.00 0.00 C ATOM 121 O ARG A 32 -4.336 1.610 -9.505 1.00 0.00 O ATOM 122 CB ARG A 32 -4.657 3.699 -7.217 1.00 0.00 C ATOM 123 CG ARG A 32 -5.167 5.113 -6.890 1.00 0.00 C ATOM 124 CD ARG A 32 -4.052 6.063 -6.432 1.00 0.00 C ATOM 125 NE ARG A 32 -3.721 5.918 -5.007 1.00 0.00 N ATOM 126 CZ ARG A 32 -2.546 5.506 -4.506 1.00 0.00 C ATOM 127 NH1 ARG A 32 -1.593 4.971 -5.268 1.00 0.00 N ATOM 128 NH2 ARG A 32 -2.302 5.624 -3.201 1.00 0.00 N ATOM 0 H ARG A 32 -6.908 3.298 -6.415 1.00 0.00 H new ATOM 0 HA ARG A 32 -5.896 3.493 -8.943 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.444 3.163 -6.292 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.720 3.766 -7.770 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.653 5.531 -7.772 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.925 5.048 -6.109 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -3.158 5.878 -7.027 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.357 7.092 -6.625 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.453 6.152 -4.336 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.743 4.862 -6.271 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.713 4.670 -4.848 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -3.008 6.027 -2.585 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -1.410 5.311 -2.819 1.00 0.00 H new ATOM 142 N SER A 33 -5.602 0.443 -8.044 1.00 0.00 N ATOM 143 CA SER A 33 -5.401 -0.883 -8.621 1.00 0.00 C ATOM 144 C SER A 33 -6.529 -1.788 -8.128 1.00 0.00 C ATOM 145 O SER A 33 -6.278 -2.813 -7.485 1.00 0.00 O ATOM 146 CB SER A 33 -4.027 -1.476 -8.316 1.00 0.00 C ATOM 147 OG SER A 33 -3.001 -0.731 -8.935 1.00 0.00 O ATOM 0 H SER A 33 -6.124 0.422 -7.168 1.00 0.00 H new ATOM 0 HA SER A 33 -5.429 -0.797 -9.707 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.867 -1.494 -7.238 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.989 -2.509 -8.661 1.00 0.00 H new ATOM 0 HG SER A 33 -2.718 -0.006 -8.340 1.00 0.00 H new ATOM 153 N LYS A 34 -7.769 -1.377 -8.423 1.00 0.00 N ATOM 154 CA LYS A 34 -9.015 -2.063 -8.095 1.00 0.00 C ATOM 155 C LYS A 34 -9.241 -2.136 -6.585 1.00 0.00 C ATOM 156 O LYS A 34 -10.055 -1.403 -6.029 1.00 0.00 O ATOM 157 CB LYS A 34 -9.087 -3.445 -8.772 1.00 0.00 C ATOM 158 CG LYS A 34 -9.047 -3.338 -10.303 1.00 0.00 C ATOM 159 CD LYS A 34 -8.866 -4.711 -10.968 1.00 0.00 C ATOM 160 CE LYS A 34 -9.933 -5.743 -10.578 1.00 0.00 C ATOM 161 NZ LYS A 34 -11.297 -5.264 -10.864 1.00 0.00 N ATOM 0 H LYS A 34 -7.934 -0.505 -8.926 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.837 -1.471 -8.499 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.255 -4.060 -8.430 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.003 -3.951 -8.468 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.970 -2.881 -10.659 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.230 -2.680 -10.600 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.879 -4.583 -12.050 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.884 -5.103 -10.705 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.754 -6.672 -11.120 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.845 -5.972 -9.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.980 -6.022 -10.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.509 -4.441 -10.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.366 -4.990 -11.865 1.00 0.00 H new ATOM 175 N SER A 35 -8.523 -3.056 -5.948 1.00 0.00 N ATOM 176 CA SER A 35 -8.529 -3.293 -4.508 1.00 0.00 C ATOM 177 C SER A 35 -7.240 -2.793 -3.856 1.00 0.00 C ATOM 178 O SER A 35 -7.196 -2.623 -2.638 1.00 0.00 O ATOM 179 CB SER A 35 -8.707 -4.790 -4.240 1.00 0.00 C ATOM 180 OG SER A 35 -9.867 -5.262 -4.896 1.00 0.00 O ATOM 0 H SER A 35 -7.892 -3.685 -6.444 1.00 0.00 H new ATOM 0 HA SER A 35 -9.359 -2.739 -4.071 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.832 -5.338 -4.591 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.787 -4.969 -3.168 1.00 0.00 H new ATOM 0 HG SER A 35 -9.974 -6.220 -4.722 1.00 0.00 H new ATOM 186 N GLY A 36 -6.205 -2.570 -4.670 1.00 0.00 N ATOM 187 CA GLY A 36 -4.873 -2.142 -4.279 1.00 0.00 C ATOM 188 C GLY A 36 -3.838 -3.201 -4.651 1.00 0.00 C ATOM 189 O GLY A 36 -2.905 -3.443 -3.889 1.00 0.00 O ATOM 0 H GLY A 36 -6.287 -2.693 -5.679 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.629 -1.199 -4.769 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.844 -1.959 -3.205 1.00 0.00 H new ATOM 193 N GLU A 37 -4.013 -3.838 -5.815 1.00 0.00 N ATOM 194 CA GLU A 37 -3.120 -4.885 -6.295 1.00 0.00 C ATOM 195 C GLU A 37 -1.814 -4.264 -6.801 1.00 0.00 C ATOM 196 O GLU A 37 -1.853 -3.188 -7.391 1.00 0.00 O ATOM 197 CB GLU A 37 -3.827 -5.674 -7.404 1.00 0.00 C ATOM 198 CG GLU A 37 -5.128 -6.315 -6.894 1.00 0.00 C ATOM 199 CD GLU A 37 -5.873 -7.032 -8.014 1.00 0.00 C ATOM 200 OE1 GLU A 37 -5.368 -8.092 -8.444 1.00 0.00 O ATOM 201 OE2 GLU A 37 -6.929 -6.503 -8.425 1.00 0.00 O ATOM 0 H GLU A 37 -4.785 -3.636 -6.450 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.872 -5.568 -5.483 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.050 -5.010 -8.239 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.161 -6.450 -7.782 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.898 -7.022 -6.097 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.769 -5.546 -6.463 1.00 0.00 H new ATOM 208 N GLU A 38 -0.679 -4.937 -6.584 1.00 0.00 N ATOM 209 CA GLU A 38 0.654 -4.479 -6.950 1.00 0.00 C ATOM 210 C GLU A 38 0.674 -3.821 -8.329 1.00 0.00 C ATOM 211 O GLU A 38 0.180 -4.383 -9.305 1.00 0.00 O ATOM 212 CB GLU A 38 1.648 -5.651 -6.879 1.00 0.00 C ATOM 213 CG GLU A 38 3.105 -5.226 -7.124 1.00 0.00 C ATOM 214 CD GLU A 38 3.568 -4.130 -6.167 1.00 0.00 C ATOM 215 OE1 GLU A 38 4.019 -4.492 -5.059 1.00 0.00 O ATOM 216 OE2 GLU A 38 3.444 -2.949 -6.559 1.00 0.00 O ATOM 0 H GLU A 38 -0.670 -5.851 -6.131 1.00 0.00 H new ATOM 0 HA GLU A 38 0.957 -3.715 -6.234 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.574 -6.123 -5.899 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.367 -6.403 -7.617 1.00 0.00 H new ATOM 0 HG2 GLU A 38 3.755 -6.094 -7.017 1.00 0.00 H new ATOM 0 HG3 GLU A 38 3.209 -4.874 -8.150 1.00 0.00 H new ATOM 223 N ASP A 39 1.282 -2.638 -8.391 1.00 0.00 N ATOM 224 CA ASP A 39 1.403 -1.799 -9.558 1.00 0.00 C ATOM 225 C ASP A 39 2.392 -0.731 -9.096 1.00 0.00 C ATOM 226 O ASP A 39 2.273 -0.274 -7.957 1.00 0.00 O ATOM 227 CB ASP A 39 0.038 -1.211 -9.935 1.00 0.00 C ATOM 228 CG ASP A 39 0.108 -0.453 -11.252 1.00 0.00 C ATOM 229 OD1 ASP A 39 0.242 -1.131 -12.293 1.00 0.00 O ATOM 230 OD2 ASP A 39 0.046 0.794 -11.195 1.00 0.00 O ATOM 0 H ASP A 39 1.727 -2.224 -7.572 1.00 0.00 H new ATOM 0 HA ASP A 39 1.741 -2.318 -10.455 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.697 -2.012 -10.013 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.303 -0.542 -9.145 1.00 0.00 H new ATOM 235 N PRO A 40 3.399 -0.362 -9.892 1.00 0.00 N ATOM 236 CA PRO A 40 4.448 0.522 -9.421 1.00 0.00 C ATOM 237 C PRO A 40 3.982 1.977 -9.294 1.00 0.00 C ATOM 238 O PRO A 40 4.156 2.791 -10.197 1.00 0.00 O ATOM 239 CB PRO A 40 5.587 0.296 -10.406 1.00 0.00 C ATOM 240 CG PRO A 40 4.867 -0.010 -11.719 1.00 0.00 C ATOM 241 CD PRO A 40 3.675 -0.837 -11.238 1.00 0.00 C ATOM 0 HA PRO A 40 4.768 0.303 -8.402 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.223 1.177 -10.493 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.227 -0.530 -10.097 1.00 0.00 H new ATOM 0 HG2 PRO A 40 4.553 0.898 -12.234 1.00 0.00 H new ATOM 0 HG3 PRO A 40 5.498 -0.567 -12.411 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.812 -0.699 -11.889 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.908 -1.902 -11.240 1.00 0.00 H new ATOM 249 N GLN A 41 3.401 2.285 -8.135 1.00 0.00 N ATOM 250 CA GLN A 41 2.882 3.578 -7.713 1.00 0.00 C ATOM 251 C GLN A 41 2.874 3.552 -6.174 1.00 0.00 C ATOM 252 O GLN A 41 3.031 2.466 -5.614 1.00 0.00 O ATOM 253 CB GLN A 41 1.472 3.773 -8.306 1.00 0.00 C ATOM 254 CG GLN A 41 0.619 2.496 -8.261 1.00 0.00 C ATOM 255 CD GLN A 41 -0.871 2.792 -8.413 1.00 0.00 C ATOM 256 OE1 GLN A 41 -1.414 3.573 -7.640 1.00 0.00 O ATOM 257 NE2 GLN A 41 -1.540 2.177 -9.384 1.00 0.00 N ATOM 0 H GLN A 41 3.273 1.577 -7.412 1.00 0.00 H new ATOM 0 HA GLN A 41 3.487 4.415 -8.063 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.960 4.564 -7.759 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.562 4.107 -9.340 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.936 1.821 -9.056 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.791 1.980 -7.317 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.055 1.533 -10.009 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -2.538 2.349 -9.504 1.00 0.00 H new ATOM 266 N PRO A 42 2.725 4.692 -5.468 1.00 0.00 N ATOM 267 CA PRO A 42 2.662 4.726 -4.006 1.00 0.00 C ATOM 268 C PRO A 42 1.351 4.080 -3.539 1.00 0.00 C ATOM 269 O PRO A 42 0.391 4.755 -3.155 1.00 0.00 O ATOM 270 CB PRO A 42 2.782 6.206 -3.623 1.00 0.00 C ATOM 271 CG PRO A 42 2.230 6.930 -4.851 1.00 0.00 C ATOM 272 CD PRO A 42 2.706 6.046 -6.003 1.00 0.00 C ATOM 0 HA PRO A 42 3.459 4.160 -3.523 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.207 6.438 -2.726 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.815 6.487 -3.420 1.00 0.00 H new ATOM 0 HG2 PRO A 42 1.143 7.007 -4.822 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.619 7.945 -4.932 1.00 0.00 H new ATOM 0 HD2 PRO A 42 2.035 6.121 -6.859 1.00 0.00 H new ATOM 0 HD3 PRO A 42 3.696 6.347 -6.346 1.00 0.00 H new ATOM 280 N GLN A 43 1.326 2.750 -3.599 1.00 0.00 N ATOM 281 CA GLN A 43 0.192 1.890 -3.351 1.00 0.00 C ATOM 282 C GLN A 43 0.713 0.558 -2.814 1.00 0.00 C ATOM 283 O GLN A 43 1.894 0.250 -2.961 1.00 0.00 O ATOM 284 CB GLN A 43 -0.469 1.650 -4.706 1.00 0.00 C ATOM 285 CG GLN A 43 -1.895 1.111 -4.615 1.00 0.00 C ATOM 286 CD GLN A 43 -2.187 0.294 -5.851 1.00 0.00 C ATOM 287 OE1 GLN A 43 -2.804 0.791 -6.786 1.00 0.00 O ATOM 288 NE2 GLN A 43 -1.703 -0.946 -5.869 1.00 0.00 N ATOM 0 H GLN A 43 2.161 2.217 -3.840 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.507 2.327 -2.638 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -0.480 2.586 -5.264 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.139 0.947 -5.276 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.010 0.498 -3.721 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -2.605 1.934 -4.530 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -1.197 -1.308 -5.061 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -1.838 -1.534 -6.691 1.00 0.00 H new ATOM 297 N CYS A 44 -0.169 -0.234 -2.208 1.00 0.00 N ATOM 298 CA CYS A 44 0.169 -1.524 -1.633 1.00 0.00 C ATOM 299 C CYS A 44 0.231 -2.626 -2.688 1.00 0.00 C ATOM 300 O CYS A 44 -0.181 -2.430 -3.833 1.00 0.00 O ATOM 301 CB CYS A 44 -0.807 -1.843 -0.497 1.00 0.00 C ATOM 302 SG CYS A 44 -0.641 -0.656 0.852 1.00 0.00 S ATOM 0 H CYS A 44 -1.154 0.011 -2.104 1.00 0.00 H new ATOM 0 HA CYS A 44 1.174 -1.473 -1.215 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.829 -1.828 -0.876 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.620 -2.850 -0.125 1.00 0.00 H new ATOM 307 N GLN A 45 0.777 -3.777 -2.275 1.00 0.00 N ATOM 308 CA GLN A 45 1.013 -4.954 -3.065 1.00 0.00 C ATOM 309 C GLN A 45 -0.266 -5.798 -3.236 1.00 0.00 C ATOM 310 O GLN A 45 -0.462 -6.391 -4.295 1.00 0.00 O ATOM 311 CB GLN A 45 2.155 -5.692 -2.346 1.00 0.00 C ATOM 312 CG GLN A 45 2.601 -6.937 -3.096 1.00 0.00 C ATOM 313 CD GLN A 45 3.301 -7.945 -2.212 1.00 0.00 C ATOM 314 OE1 GLN A 45 2.772 -9.014 -1.924 1.00 0.00 O ATOM 315 NE2 GLN A 45 4.481 -7.602 -1.729 1.00 0.00 N ATOM 0 H GLN A 45 1.081 -3.901 -1.309 1.00 0.00 H new ATOM 0 HA GLN A 45 1.297 -4.718 -4.091 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.003 -5.018 -2.229 1.00 0.00 H new ATOM 0 HB3 GLN A 45 1.830 -5.971 -1.344 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.732 -7.408 -3.555 1.00 0.00 H new ATOM 0 HG3 GLN A 45 3.271 -6.646 -3.905 1.00 0.00 H new ATOM 0 HE21 GLN A 45 4.897 -6.707 -1.986 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.977 -8.232 -1.099 1.00 0.00 H new ATOM 324 N HIS A 46 -1.103 -5.915 -2.197 1.00 0.00 N ATOM 325 CA HIS A 46 -2.310 -6.751 -2.228 1.00 0.00 C ATOM 326 C HIS A 46 -3.587 -5.932 -2.313 1.00 0.00 C ATOM 327 O HIS A 46 -4.323 -6.022 -3.293 1.00 0.00 O ATOM 328 CB HIS A 46 -2.403 -7.620 -0.969 1.00 0.00 C ATOM 329 CG HIS A 46 -1.472 -8.791 -0.918 1.00 0.00 C ATOM 330 ND1 HIS A 46 -1.651 -9.801 0.023 1.00 0.00 N ATOM 331 CD2 HIS A 46 -0.357 -9.063 -1.660 1.00 0.00 C ATOM 332 CE1 HIS A 46 -0.576 -10.580 -0.126 1.00 0.00 C ATOM 333 NE2 HIS A 46 0.246 -10.166 -1.102 1.00 0.00 N ATOM 0 H HIS A 46 -0.962 -5.432 -1.310 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.220 -7.367 -3.123 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -2.213 -6.990 -0.100 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -3.425 -7.988 -0.878 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.013 -8.514 -2.524 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -0.388 -11.455 0.478 1.00 0.00 H new ATOM 0 HE2 HIS A 46 1.136 -10.584 -1.374 1.00 0.00 H new ATOM 341 N LEU A 47 -3.892 -5.211 -1.233 1.00 0.00 N ATOM 342 CA LEU A 47 -5.120 -4.457 -1.118 1.00 0.00 C ATOM 343 C LEU A 47 -4.923 -3.303 -0.153 1.00 0.00 C ATOM 344 O LEU A 47 -3.955 -3.313 0.607 1.00 0.00 O ATOM 345 CB LEU A 47 -6.262 -5.391 -0.688 1.00 0.00 C ATOM 346 CG LEU A 47 -6.057 -6.174 0.622 1.00 0.00 C ATOM 347 CD1 LEU A 47 -6.326 -5.314 1.858 1.00 0.00 C ATOM 348 CD2 LEU A 47 -7.021 -7.367 0.642 1.00 0.00 C ATOM 0 H LEU A 47 -3.286 -5.140 -0.416 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.393 -4.031 -2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -7.170 -4.796 -0.591 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.435 -6.108 -1.490 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.017 -6.499 0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.168 -5.910 2.757 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.646 -4.462 1.863 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.355 -4.956 1.835 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.885 -7.929 1.566 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -8.048 -7.006 0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.816 -8.015 -0.211 1.00 0.00 H new ATOM 360 N CYS A 48 -5.839 -2.333 -0.188 1.00 0.00 N ATOM 361 CA CYS A 48 -5.833 -1.163 0.679 1.00 0.00 C ATOM 362 C CYS A 48 -7.203 -1.013 1.332 1.00 0.00 C ATOM 363 O CYS A 48 -8.157 -1.696 0.966 1.00 0.00 O ATOM 364 CB CYS A 48 -5.476 0.112 -0.102 1.00 0.00 C ATOM 365 SG CYS A 48 -4.281 -0.035 -1.454 1.00 0.00 S ATOM 0 H CYS A 48 -6.624 -2.344 -0.839 1.00 0.00 H new ATOM 0 HA CYS A 48 -5.072 -1.304 1.446 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -6.398 0.523 -0.513 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.090 0.843 0.608 1.00 0.00 H new ATOM 370 N HIS A 49 -7.276 -0.097 2.293 1.00 0.00 N ATOM 371 CA HIS A 49 -8.432 0.282 3.083 1.00 0.00 C ATOM 372 C HIS A 49 -8.369 1.799 3.220 1.00 0.00 C ATOM 373 O HIS A 49 -7.317 2.386 2.957 1.00 0.00 O ATOM 374 CB HIS A 49 -8.325 -0.333 4.475 1.00 0.00 C ATOM 375 CG HIS A 49 -8.156 -1.829 4.497 1.00 0.00 C ATOM 376 ND1 HIS A 49 -9.157 -2.687 4.050 1.00 0.00 N ATOM 377 CD2 HIS A 49 -7.083 -2.574 4.907 1.00 0.00 C ATOM 378 CE1 HIS A 49 -8.635 -3.911 4.171 1.00 0.00 C ATOM 379 NE2 HIS A 49 -7.390 -3.898 4.673 1.00 0.00 N ATOM 0 H HIS A 49 -6.453 0.444 2.558 1.00 0.00 H new ATOM 0 HA HIS A 49 -9.358 -0.055 2.617 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -7.480 0.121 4.993 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -9.221 -0.075 5.040 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -10.084 -2.437 3.706 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -6.166 -2.195 5.334 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -9.159 -4.814 3.895 1.00 0.00 H new ATOM 387 N ASN A 50 -9.454 2.438 3.669 1.00 0.00 N ATOM 388 CA ASN A 50 -9.514 3.893 3.779 1.00 0.00 C ATOM 389 C ASN A 50 -10.102 4.348 5.099 1.00 0.00 C ATOM 390 O ASN A 50 -10.781 3.594 5.793 1.00 0.00 O ATOM 391 CB ASN A 50 -10.254 4.528 2.602 1.00 0.00 C ATOM 392 CG ASN A 50 -9.616 4.138 1.282 1.00 0.00 C ATOM 393 OD1 ASN A 50 -10.004 3.165 0.641 1.00 0.00 O ATOM 394 ND2 ASN A 50 -8.609 4.896 0.887 1.00 0.00 N ATOM 0 H ASN A 50 -10.307 1.963 3.963 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.482 4.241 3.747 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -11.298 4.214 2.612 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -10.247 5.613 2.706 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.120 4.682 0.018 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.320 5.695 1.451 1.00 0.00 H new ATOM 401 N TYR A 51 -9.798 5.603 5.416 1.00 0.00 N ATOM 402 CA TYR A 51 -10.137 6.330 6.626 1.00 0.00 C ATOM 403 C TYR A 51 -9.664 7.770 6.419 1.00 0.00 C ATOM 404 O TYR A 51 -9.172 8.100 5.340 1.00 0.00 O ATOM 405 CB TYR A 51 -9.485 5.691 7.868 1.00 0.00 C ATOM 406 CG TYR A 51 -7.994 5.926 8.083 1.00 0.00 C ATOM 407 CD1 TYR A 51 -7.073 5.857 7.019 1.00 0.00 C ATOM 408 CD2 TYR A 51 -7.519 6.159 9.389 1.00 0.00 C ATOM 409 CE1 TYR A 51 -5.698 5.995 7.263 1.00 0.00 C ATOM 410 CE2 TYR A 51 -6.144 6.326 9.626 1.00 0.00 C ATOM 411 CZ TYR A 51 -5.231 6.227 8.565 1.00 0.00 C ATOM 412 OH TYR A 51 -3.903 6.432 8.786 1.00 0.00 O ATOM 0 H TYR A 51 -9.261 6.185 4.773 1.00 0.00 H new ATOM 0 HA TYR A 51 -11.211 6.301 6.807 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -10.013 6.055 8.749 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -9.652 4.615 7.819 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -7.427 5.697 6.011 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -8.216 6.210 10.213 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.997 5.922 6.445 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.790 6.531 10.625 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.749 6.579 9.743 1.00 0.00 H new ATOM 422 N VAL A 52 -9.762 8.610 7.451 1.00 0.00 N ATOM 423 CA VAL A 52 -9.370 10.003 7.393 1.00 0.00 C ATOM 424 C VAL A 52 -7.932 10.205 6.928 1.00 0.00 C ATOM 425 O VAL A 52 -7.652 11.107 6.143 1.00 0.00 O ATOM 426 CB VAL A 52 -9.691 10.645 8.752 1.00 0.00 C ATOM 427 CG1 VAL A 52 -8.799 10.131 9.892 1.00 0.00 C ATOM 428 CG2 VAL A 52 -9.599 12.162 8.659 1.00 0.00 C ATOM 0 H VAL A 52 -10.123 8.328 8.362 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.947 10.515 6.623 1.00 0.00 H new ATOM 0 HB VAL A 52 -10.712 10.352 8.996 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.078 10.624 10.823 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.929 9.054 9.999 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -7.756 10.349 9.664 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -9.829 12.601 9.630 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.590 12.448 8.362 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -10.312 12.525 7.919 1.00 0.00 H new ATOM 438 N GLY A 53 -7.022 9.330 7.350 1.00 0.00 N ATOM 439 CA GLY A 53 -5.620 9.405 6.960 1.00 0.00 C ATOM 440 C GLY A 53 -5.389 8.873 5.542 1.00 0.00 C ATOM 441 O GLY A 53 -4.409 8.170 5.297 1.00 0.00 O ATOM 0 H GLY A 53 -7.238 8.550 7.971 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.282 10.440 7.018 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.017 8.833 7.665 1.00 0.00 H new ATOM 445 N GLY A 54 -6.283 9.193 4.602 1.00 0.00 N ATOM 446 CA GLY A 54 -6.169 8.779 3.214 1.00 0.00 C ATOM 447 C GLY A 54 -6.430 7.291 3.026 1.00 0.00 C ATOM 448 O GLY A 54 -7.499 6.881 2.567 1.00 0.00 O ATOM 0 H GLY A 54 -7.113 9.754 4.793 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.876 9.348 2.609 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.171 9.019 2.848 1.00 0.00 H new ATOM 452 N TYR A 55 -5.434 6.480 3.372 1.00 0.00 N ATOM 453 CA TYR A 55 -5.500 5.034 3.229 1.00 0.00 C ATOM 454 C TYR A 55 -4.532 4.291 4.136 1.00 0.00 C ATOM 455 O TYR A 55 -3.570 4.864 4.651 1.00 0.00 O ATOM 456 CB TYR A 55 -5.254 4.621 1.771 1.00 0.00 C ATOM 457 CG TYR A 55 -3.826 4.791 1.274 1.00 0.00 C ATOM 458 CD1 TYR A 55 -2.906 3.738 1.438 1.00 0.00 C ATOM 459 CD2 TYR A 55 -3.445 5.939 0.552 1.00 0.00 C ATOM 460 CE1 TYR A 55 -1.619 3.828 0.883 1.00 0.00 C ATOM 461 CE2 TYR A 55 -2.167 6.011 -0.036 1.00 0.00 C ATOM 462 CZ TYR A 55 -1.257 4.948 0.120 1.00 0.00 C ATOM 463 OH TYR A 55 -0.025 4.975 -0.468 1.00 0.00 O ATOM 0 H TYR A 55 -4.553 6.814 3.762 1.00 0.00 H new ATOM 0 HA TYR A 55 -6.508 4.751 3.534 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -5.538 3.575 1.655 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.915 5.204 1.130 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.191 2.857 1.993 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.133 6.765 0.449 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.906 3.033 1.044 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -1.885 6.883 -0.607 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.121 4.846 -1.435 1.00 0.00 H new ATOM 473 N PHE A 56 -4.796 2.996 4.301 1.00 0.00 N ATOM 474 CA PHE A 56 -3.943 2.035 4.980 1.00 0.00 C ATOM 475 C PHE A 56 -4.139 0.712 4.242 1.00 0.00 C ATOM 476 O PHE A 56 -4.853 0.684 3.243 1.00 0.00 O ATOM 477 CB PHE A 56 -4.253 1.970 6.480 1.00 0.00 C ATOM 478 CG PHE A 56 -5.639 1.471 6.827 1.00 0.00 C ATOM 479 CD1 PHE A 56 -6.744 2.330 6.701 1.00 0.00 C ATOM 480 CD2 PHE A 56 -5.824 0.162 7.312 1.00 0.00 C ATOM 481 CE1 PHE A 56 -8.021 1.902 7.094 1.00 0.00 C ATOM 482 CE2 PHE A 56 -7.106 -0.272 7.687 1.00 0.00 C ATOM 483 CZ PHE A 56 -8.201 0.606 7.606 1.00 0.00 C ATOM 0 H PHE A 56 -5.653 2.573 3.946 1.00 0.00 H new ATOM 0 HA PHE A 56 -2.891 2.319 4.948 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.520 1.322 6.959 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.125 2.965 6.905 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -6.610 3.324 6.300 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.981 -0.508 7.396 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -8.866 2.569 7.003 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.251 -1.283 8.039 1.00 0.00 H new ATOM 0 HZ PHE A 56 -9.178 0.285 7.936 1.00 0.00 H new ATOM 493 N CYS A 57 -3.512 -0.375 4.686 1.00 0.00 N ATOM 494 CA CYS A 57 -3.568 -1.677 4.038 1.00 0.00 C ATOM 495 C CYS A 57 -3.421 -2.738 5.116 1.00 0.00 C ATOM 496 O CYS A 57 -3.147 -2.398 6.267 1.00 0.00 O ATOM 497 CB CYS A 57 -2.446 -1.790 3.006 1.00 0.00 C ATOM 498 SG CYS A 57 -2.498 -0.534 1.711 1.00 0.00 S ATOM 0 H CYS A 57 -2.937 -0.371 5.528 1.00 0.00 H new ATOM 0 HA CYS A 57 -4.515 -1.810 3.515 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.487 -1.725 3.520 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.493 -2.775 2.542 1.00 0.00 H new ATOM 503 N SER A 58 -3.619 -4.007 4.756 1.00 0.00 N ATOM 504 CA SER A 58 -3.463 -5.125 5.691 1.00 0.00 C ATOM 505 C SER A 58 -2.613 -6.208 5.066 1.00 0.00 C ATOM 506 O SER A 58 -1.579 -6.632 5.580 1.00 0.00 O ATOM 507 CB SER A 58 -4.828 -5.659 6.148 1.00 0.00 C ATOM 508 OG SER A 58 -5.613 -6.096 5.048 1.00 0.00 O ATOM 0 H SER A 58 -3.890 -4.289 3.814 1.00 0.00 H new ATOM 0 HA SER A 58 -2.950 -4.768 6.584 1.00 0.00 H new ATOM 0 HB2 SER A 58 -4.682 -6.486 6.843 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.362 -4.878 6.690 1.00 0.00 H new ATOM 0 HG SER A 58 -6.197 -5.367 4.753 1.00 0.00 H new ATOM 514 N CYS A 59 -3.152 -6.576 3.920 1.00 0.00 N ATOM 515 CA CYS A 59 -2.789 -7.598 2.951 1.00 0.00 C ATOM 516 C CYS A 59 -3.771 -8.755 3.102 1.00 0.00 C ATOM 517 O CYS A 59 -4.653 -8.704 3.965 1.00 0.00 O ATOM 518 CB CYS A 59 -1.322 -8.032 3.059 1.00 0.00 C ATOM 519 SG CYS A 59 -0.160 -6.657 2.869 1.00 0.00 S ATOM 0 H CYS A 59 -3.987 -6.087 3.597 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.865 -7.189 1.943 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.160 -8.506 4.027 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.114 -8.783 2.297 1.00 0.00 H new ATOM 524 N ARG A 60 -3.667 -9.757 2.226 1.00 0.00 N ATOM 525 CA ARG A 60 -4.520 -10.939 2.278 1.00 0.00 C ATOM 526 C ARG A 60 -4.059 -11.846 3.427 1.00 0.00 C ATOM 527 O ARG A 60 -2.899 -11.765 3.830 1.00 0.00 O ATOM 528 CB ARG A 60 -4.438 -11.667 0.929 1.00 0.00 C ATOM 529 CG ARG A 60 -5.122 -10.834 -0.162 1.00 0.00 C ATOM 530 CD ARG A 60 -4.907 -11.440 -1.550 1.00 0.00 C ATOM 531 NE ARG A 60 -3.506 -11.313 -1.972 1.00 0.00 N ATOM 532 CZ ARG A 60 -3.037 -11.720 -3.159 1.00 0.00 C ATOM 533 NH1 ARG A 60 -3.849 -12.321 -4.035 1.00 0.00 N ATOM 534 NH2 ARG A 60 -1.753 -11.519 -3.467 1.00 0.00 N ATOM 0 H ARG A 60 -2.990 -9.769 1.464 1.00 0.00 H new ATOM 0 HA ARG A 60 -5.557 -10.657 2.461 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.395 -11.842 0.664 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.916 -12.644 1.005 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -6.190 -10.768 0.046 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -4.730 -9.817 -0.144 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.193 -12.492 -1.539 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.554 -10.942 -2.272 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.848 -10.888 -1.319 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -4.830 -12.471 -3.801 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -3.487 -12.629 -4.938 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.135 -11.058 -2.800 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.391 -11.827 -4.369 1.00 0.00 H new ATOM 548 N PRO A 61 -4.932 -12.705 3.979 1.00 0.00 N ATOM 549 CA PRO A 61 -4.539 -13.608 5.048 1.00 0.00 C ATOM 550 C PRO A 61 -3.368 -14.488 4.623 1.00 0.00 C ATOM 551 O PRO A 61 -3.196 -14.801 3.445 1.00 0.00 O ATOM 552 CB PRO A 61 -5.774 -14.427 5.418 1.00 0.00 C ATOM 553 CG PRO A 61 -6.724 -14.231 4.233 1.00 0.00 C ATOM 554 CD PRO A 61 -6.340 -12.865 3.664 1.00 0.00 C ATOM 0 HA PRO A 61 -4.188 -13.053 5.918 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -5.526 -15.479 5.560 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.220 -14.076 6.348 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -6.602 -15.020 3.491 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.766 -14.251 4.551 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -6.510 -12.824 2.588 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.937 -12.070 4.111 1.00 0.00 H new ATOM 562 N GLY A 62 -2.559 -14.874 5.609 1.00 0.00 N ATOM 563 CA GLY A 62 -1.321 -15.607 5.384 1.00 0.00 C ATOM 564 C GLY A 62 -0.199 -14.669 4.918 1.00 0.00 C ATOM 565 O GLY A 62 0.912 -15.122 4.636 1.00 0.00 O ATOM 0 H GLY A 62 -2.749 -14.684 6.593 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.020 -16.110 6.303 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.485 -16.382 4.636 1.00 0.00 H new ATOM 569 N TYR A 63 -0.488 -13.368 4.795 1.00 0.00 N ATOM 570 CA TYR A 63 0.452 -12.333 4.447 1.00 0.00 C ATOM 571 C TYR A 63 0.153 -11.133 5.332 1.00 0.00 C ATOM 572 O TYR A 63 -0.929 -11.037 5.909 1.00 0.00 O ATOM 573 CB TYR A 63 0.355 -11.966 2.963 1.00 0.00 C ATOM 574 CG TYR A 63 0.872 -13.020 2.003 1.00 0.00 C ATOM 575 CD1 TYR A 63 0.059 -14.118 1.663 1.00 0.00 C ATOM 576 CD2 TYR A 63 2.063 -12.791 1.288 1.00 0.00 C ATOM 577 CE1 TYR A 63 0.477 -15.027 0.676 1.00 0.00 C ATOM 578 CE2 TYR A 63 2.478 -13.697 0.299 1.00 0.00 C ATOM 579 CZ TYR A 63 1.694 -14.824 0.005 1.00 0.00 C ATOM 580 OH TYR A 63 2.103 -15.696 -0.958 1.00 0.00 O ATOM 0 H TYR A 63 -1.430 -13.007 4.945 1.00 0.00 H new ATOM 0 HA TYR A 63 1.472 -12.680 4.610 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -0.688 -11.759 2.724 1.00 0.00 H new ATOM 0 HB3 TYR A 63 0.909 -11.042 2.796 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.888 -14.262 2.162 1.00 0.00 H new ATOM 0 HD2 TYR A 63 2.659 -11.916 1.501 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -0.137 -15.881 0.434 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.401 -13.527 -0.236 1.00 0.00 H new ATOM 0 HH TYR A 63 2.966 -15.404 -1.319 1.00 0.00 H new ATOM 590 N GLU A 64 1.115 -10.218 5.437 1.00 0.00 N ATOM 591 CA GLU A 64 1.003 -9.035 6.267 1.00 0.00 C ATOM 592 C GLU A 64 1.815 -7.917 5.642 1.00 0.00 C ATOM 593 O GLU A 64 2.891 -8.156 5.081 1.00 0.00 O ATOM 594 CB GLU A 64 1.554 -9.305 7.676 1.00 0.00 C ATOM 595 CG GLU A 64 0.654 -10.197 8.542 1.00 0.00 C ATOM 596 CD GLU A 64 -0.713 -9.579 8.840 1.00 0.00 C ATOM 597 OE1 GLU A 64 -0.805 -8.332 8.804 1.00 0.00 O ATOM 598 OE2 GLU A 64 -1.642 -10.364 9.130 1.00 0.00 O ATOM 0 H GLU A 64 2.003 -10.284 4.939 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.049 -8.759 6.341 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.534 -9.774 7.587 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.701 -8.353 8.185 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.510 -11.152 8.038 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.162 -10.407 9.483 1.00 0.00 H new ATOM 605 N LEU A 65 1.294 -6.698 5.757 1.00 0.00 N ATOM 606 CA LEU A 65 1.971 -5.507 5.287 1.00 0.00 C ATOM 607 C LEU A 65 3.259 -5.308 6.085 1.00 0.00 C ATOM 608 O LEU A 65 3.356 -5.738 7.234 1.00 0.00 O ATOM 609 CB LEU A 65 1.036 -4.309 5.456 1.00 0.00 C ATOM 610 CG LEU A 65 1.432 -3.105 4.593 1.00 0.00 C ATOM 611 CD1 LEU A 65 0.996 -3.302 3.136 1.00 0.00 C ATOM 612 CD2 LEU A 65 0.756 -1.881 5.200 1.00 0.00 C ATOM 0 H LEU A 65 0.385 -6.515 6.182 1.00 0.00 H new ATOM 0 HA LEU A 65 2.231 -5.608 4.233 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.020 -4.611 5.202 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.027 -4.009 6.504 1.00 0.00 H new ATOM 0 HG LEU A 65 2.515 -2.983 4.581 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.290 -2.433 2.548 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.474 -4.193 2.730 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.087 -3.420 3.093 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.011 -0.997 4.615 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.325 -2.021 5.193 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.098 -1.748 6.226 1.00 0.00 H new ATOM 624 N GLN A 66 4.244 -4.661 5.469 1.00 0.00 N ATOM 625 CA GLN A 66 5.555 -4.422 6.054 1.00 0.00 C ATOM 626 C GLN A 66 5.729 -2.947 6.422 1.00 0.00 C ATOM 627 O GLN A 66 4.888 -2.110 6.097 1.00 0.00 O ATOM 628 CB GLN A 66 6.622 -4.883 5.058 1.00 0.00 C ATOM 629 CG GLN A 66 6.462 -6.357 4.658 1.00 0.00 C ATOM 630 CD GLN A 66 6.554 -7.308 5.849 1.00 0.00 C ATOM 631 OE1 GLN A 66 7.625 -7.465 6.425 1.00 0.00 O ATOM 632 NE2 GLN A 66 5.457 -7.959 6.229 1.00 0.00 N ATOM 0 H GLN A 66 4.148 -4.280 4.528 1.00 0.00 H new ATOM 0 HA GLN A 66 5.658 -4.990 6.979 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.572 -4.261 4.164 1.00 0.00 H new ATOM 0 HB3 GLN A 66 7.609 -4.734 5.495 1.00 0.00 H new ATOM 0 HG2 GLN A 66 5.499 -6.492 4.165 1.00 0.00 H new ATOM 0 HG3 GLN A 66 7.232 -6.617 3.931 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.578 -7.810 5.733 1.00 0.00 H new ATOM 0 HE22 GLN A 66 5.495 -8.606 7.016 1.00 0.00 H new ATOM 641 N GLU A 67 6.856 -2.624 7.064 1.00 0.00 N ATOM 642 CA GLU A 67 7.182 -1.289 7.563 1.00 0.00 C ATOM 643 C GLU A 67 7.137 -0.186 6.501 1.00 0.00 C ATOM 644 O GLU A 67 6.927 0.978 6.832 1.00 0.00 O ATOM 645 CB GLU A 67 8.552 -1.313 8.254 1.00 0.00 C ATOM 646 CG GLU A 67 8.581 -2.264 9.459 1.00 0.00 C ATOM 647 CD GLU A 67 9.931 -2.207 10.166 1.00 0.00 C ATOM 648 OE1 GLU A 67 10.873 -2.832 9.634 1.00 0.00 O ATOM 649 OE2 GLU A 67 9.998 -1.532 11.216 1.00 0.00 O ATOM 0 H GLU A 67 7.588 -3.308 7.256 1.00 0.00 H new ATOM 0 HA GLU A 67 6.399 -1.034 8.277 1.00 0.00 H new ATOM 0 HB2 GLU A 67 9.313 -1.617 7.536 1.00 0.00 H new ATOM 0 HB3 GLU A 67 8.808 -0.306 8.583 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.789 -1.996 10.158 1.00 0.00 H new ATOM 0 HG3 GLU A 67 8.382 -3.283 9.128 1.00 0.00 H new ATOM 656 N ASP A 68 7.337 -0.539 5.230 1.00 0.00 N ATOM 657 CA ASP A 68 7.277 0.421 4.129 1.00 0.00 C ATOM 658 C ASP A 68 5.835 0.870 3.870 1.00 0.00 C ATOM 659 O ASP A 68 5.606 1.848 3.166 1.00 0.00 O ATOM 660 CB ASP A 68 7.932 -0.145 2.860 1.00 0.00 C ATOM 661 CG ASP A 68 7.027 -1.086 2.071 1.00 0.00 C ATOM 662 OD1 ASP A 68 6.220 -1.803 2.706 1.00 0.00 O ATOM 663 OD2 ASP A 68 7.148 -1.093 0.829 1.00 0.00 O ATOM 0 H ASP A 68 7.544 -1.494 4.937 1.00 0.00 H new ATOM 0 HA ASP A 68 7.848 1.303 4.421 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.231 0.682 2.216 1.00 0.00 H new ATOM 0 HB3 ASP A 68 8.842 -0.678 3.138 1.00 0.00 H new ATOM 668 N ARG A 69 4.867 0.125 4.414 1.00 0.00 N ATOM 669 CA ARG A 69 3.445 0.393 4.348 1.00 0.00 C ATOM 670 C ARG A 69 2.850 0.161 2.968 1.00 0.00 C ATOM 671 O ARG A 69 1.794 0.705 2.653 1.00 0.00 O ATOM 672 CB ARG A 69 3.146 1.797 4.870 1.00 0.00 C ATOM 673 CG ARG A 69 1.887 1.745 5.737 1.00 0.00 C ATOM 674 CD ARG A 69 1.490 3.132 6.249 1.00 0.00 C ATOM 675 NE ARG A 69 0.882 3.921 5.164 1.00 0.00 N ATOM 676 CZ ARG A 69 -0.403 4.300 5.067 1.00 0.00 C ATOM 677 NH1 ARG A 69 -1.273 4.135 6.068 1.00 0.00 N ATOM 678 NH2 ARG A 69 -0.848 4.856 3.938 1.00 0.00 N ATOM 0 H ARG A 69 5.076 -0.725 4.938 1.00 0.00 H new ATOM 0 HA ARG A 69 2.953 -0.332 4.996 1.00 0.00 H new ATOM 0 HB2 ARG A 69 3.989 2.171 5.451 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.002 2.486 4.038 1.00 0.00 H new ATOM 0 HG2 ARG A 69 1.065 1.322 5.159 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.056 1.080 6.584 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.786 3.035 7.076 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.368 3.649 6.637 1.00 0.00 H new ATOM 0 HE ARG A 69 1.502 4.210 4.407 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -0.969 3.708 6.943 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -2.241 4.436 5.957 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -0.213 4.992 3.152 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -1.823 5.145 3.862 1.00 0.00 H new ATOM 692 N HIS A 70 3.506 -0.674 2.163 1.00 0.00 N ATOM 693 CA HIS A 70 3.037 -0.996 0.827 1.00 0.00 C ATOM 694 C HIS A 70 3.287 -2.466 0.510 1.00 0.00 C ATOM 695 O HIS A 70 2.411 -3.170 0.002 1.00 0.00 O ATOM 696 CB HIS A 70 3.737 -0.108 -0.215 1.00 0.00 C ATOM 697 CG HIS A 70 3.310 1.340 -0.233 1.00 0.00 C ATOM 698 ND1 HIS A 70 4.235 2.363 -0.442 1.00 0.00 N ATOM 699 CD2 HIS A 70 2.063 1.897 -0.122 1.00 0.00 C ATOM 700 CE1 HIS A 70 3.518 3.489 -0.418 1.00 0.00 C ATOM 701 NE2 HIS A 70 2.209 3.263 -0.232 1.00 0.00 N ATOM 0 H HIS A 70 4.374 -1.142 2.423 1.00 0.00 H new ATOM 0 HA HIS A 70 1.964 -0.808 0.788 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.812 -0.149 -0.037 1.00 0.00 H new ATOM 0 HB3 HIS A 70 3.561 -0.532 -1.204 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.136 1.363 0.025 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.945 4.474 -0.535 1.00 0.00 H new ATOM 0 HE2 HIS A 70 1.469 3.963 -0.182 1.00 0.00 H new ATOM 709 N SER A 71 4.501 -2.926 0.801 1.00 0.00 N ATOM 710 CA SER A 71 4.882 -4.295 0.500 1.00 0.00 C ATOM 711 C SER A 71 4.249 -5.256 1.503 1.00 0.00 C ATOM 712 O SER A 71 4.169 -4.941 2.692 1.00 0.00 O ATOM 713 CB SER A 71 6.411 -4.438 0.461 1.00 0.00 C ATOM 714 OG SER A 71 6.994 -4.250 1.732 1.00 0.00 O ATOM 0 H SER A 71 5.233 -2.370 1.243 1.00 0.00 H new ATOM 0 HA SER A 71 4.506 -4.554 -0.490 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.673 -5.427 0.085 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.825 -3.712 -0.238 1.00 0.00 H new ATOM 0 HG SER A 71 6.615 -3.449 2.151 1.00 0.00 H new ATOM 720 N CYS A 72 3.787 -6.411 1.015 1.00 0.00 N ATOM 721 CA CYS A 72 3.298 -7.504 1.847 1.00 0.00 C ATOM 722 C CYS A 72 4.324 -8.626 1.803 1.00 0.00 C ATOM 723 O CYS A 72 4.974 -8.826 0.773 1.00 0.00 O ATOM 724 CB CYS A 72 1.970 -8.091 1.359 1.00 0.00 C ATOM 725 SG CYS A 72 0.643 -6.932 0.993 1.00 0.00 S ATOM 0 H CYS A 72 3.743 -6.612 0.016 1.00 0.00 H new ATOM 0 HA CYS A 72 3.142 -7.100 2.847 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.168 -8.673 0.459 1.00 0.00 H new ATOM 0 HB3 CYS A 72 1.610 -8.788 2.116 1.00 0.00 H new ATOM 730 N GLN A 73 4.464 -9.356 2.909 1.00 0.00 N ATOM 731 CA GLN A 73 5.259 -10.580 2.976 1.00 0.00 C ATOM 732 C GLN A 73 4.385 -11.650 3.618 1.00 0.00 C ATOM 733 O GLN A 73 3.347 -11.328 4.191 1.00 0.00 O ATOM 734 CB GLN A 73 6.563 -10.397 3.758 1.00 0.00 C ATOM 735 CG GLN A 73 7.521 -9.388 3.110 1.00 0.00 C ATOM 736 CD GLN A 73 8.218 -9.961 1.879 1.00 0.00 C ATOM 737 OE1 GLN A 73 9.328 -10.472 1.971 1.00 0.00 O ATOM 738 NE2 GLN A 73 7.581 -9.887 0.715 1.00 0.00 N ATOM 0 H GLN A 73 4.022 -9.110 3.795 1.00 0.00 H new ATOM 0 HA GLN A 73 5.561 -10.869 1.970 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.329 -10.067 4.770 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.065 -11.361 3.845 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.966 -8.493 2.827 1.00 0.00 H new ATOM 0 HG3 GLN A 73 8.270 -9.081 3.840 1.00 0.00 H new ATOM 0 HE21 GLN A 73 6.658 -9.457 0.665 1.00 0.00 H new ATOM 0 HE22 GLN A 73 8.015 -10.261 -0.129 1.00 0.00 H new ATOM 747 N ALA A 74 4.793 -12.912 3.486 1.00 0.00 N ATOM 748 CA ALA A 74 4.054 -14.063 3.989 1.00 0.00 C ATOM 749 C ALA A 74 4.261 -14.184 5.497 1.00 0.00 C ATOM 750 O ALA A 74 5.407 -14.249 5.939 1.00 0.00 O ATOM 751 CB ALA A 74 4.507 -15.327 3.256 1.00 0.00 C ATOM 0 H ALA A 74 5.663 -13.164 3.017 1.00 0.00 H new ATOM 0 HA ALA A 74 2.988 -13.932 3.804 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.952 -16.186 3.635 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.319 -15.216 2.188 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.573 -15.482 3.422 1.00 0.00 H new ATOM 757 N GLU A 75 3.174 -14.191 6.271 1.00 0.00 N ATOM 758 CA GLU A 75 3.179 -14.281 7.722 1.00 0.00 C ATOM 759 C GLU A 75 1.835 -14.874 8.141 1.00 0.00 C ATOM 760 O GLU A 75 0.823 -14.406 7.572 1.00 0.00 O ATOM 761 CB GLU A 75 3.342 -12.891 8.358 1.00 0.00 C ATOM 762 CG GLU A 75 4.685 -12.211 8.049 1.00 0.00 C ATOM 763 CD GLU A 75 4.877 -10.920 8.838 1.00 0.00 C ATOM 764 OE1 GLU A 75 4.699 -10.969 10.074 1.00 0.00 O ATOM 765 OE2 GLU A 75 5.208 -9.901 8.192 1.00 0.00 O ATOM 766 OXT GLU A 75 1.840 -15.769 9.012 1.00 0.00 O ATOM 0 H GLU A 75 2.232 -14.132 5.884 1.00 0.00 H new ATOM 0 HA GLU A 75 4.012 -14.900 8.054 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.533 -12.248 8.011 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.234 -12.983 9.439 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.499 -12.899 8.279 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.743 -11.994 6.982 1.00 0.00 H new TER 773 GLU A 75