USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 803 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 ASN : amide:sc= 0.158 K(o=-0.15,f=-0.73) USER MOD Set 1.2: A 63 GLN : amide:sc= -0.312 K(o=-0.15,f=-0.73) USER MOD Set 2.1: A 46 CYS SG : rot 50:sc= -3.53! USER MOD Set 2.2: A 47 THR OG1 : rot 180:sc= 0.274 USER MOD Set 3.1: A 20 CYS SG : rot 18:sc= 0.942 USER MOD Set 3.2: A 51 ASN : amide:sc= -1.08 K(o=-0.13,f=-7.4!) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -162:sc= -0.115 (180deg=-0.545) USER MOD Single : A 7 LYS NZ :NH3+ -167:sc= -0.013 (180deg=-0.204) USER MOD Single : A 8 THR OG1 : rot 73:sc= 1.26 USER MOD Single : A 9 TYR OH : rot -93:sc= 0.0449 USER MOD Single : A -1 GLY N :NH3+ -148:sc= 1.36 (180deg=1.04) USER MOD Single : A 10 LYS NZ :NH3+ 163:sc= 1.23 (180deg=1.13) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 92:sc= 0.26 USER MOD Single : A 15 ASN :FLIP amide:sc= -2.83 F(o=-4.8!,f=-2.8) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.252 X(o=-0.25,f=-0.3) USER MOD Single : A 21 ASN : amide:sc= 0.0136 X(o=0.014,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot -150:sc= -0.832 USER MOD Single : A 35 THR OG1 : rot 106:sc= 1.33 USER MOD Single : A 39 GLN :FLIP amide:sc= -0.177 F(o=-0.89,f=-0.18) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 122:sc= 1.25 USER MOD Single : A 54 THR OG1 : rot 157:sc= 0.991 USER MOD Single : A 57 HIS : no HE2:sc= 0.902 K(o=0.9,f=-2.8!) USER MOD Single : A 61 THR OG1 : rot -81:sc= 1.24 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot -67:sc= 0.61 USER MOD Single : A 90 SER OG : rot 72:sc= 1.22 USER MOD Single : A 92 TYR OH : rot 149:sc= 0.0693 USER MOD Single : A 93 GLN : amide:sc= 0.411 K(o=0.41,f=-4.3!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN :FLIP amide:sc= 0 F(o=-1.7,f=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 -8.563 -10.134 6.099 1.00 0.00 N ATOM 2 CA GLY A -1 -9.831 -10.725 5.672 1.00 0.00 C ATOM 3 C GLY A -1 -9.622 -11.612 4.475 1.00 0.00 C ATOM 4 O GLY A -1 -8.482 -11.874 4.093 1.00 0.00 O ATOM 0 H1 GLY A -1 -8.572 -10.001 7.130 1.00 0.00 H new ATOM 0 H2 GLY A -1 -7.780 -10.767 5.838 1.00 0.00 H new ATOM 0 H3 GLY A -1 -8.434 -9.213 5.632 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -10.263 -11.303 6.489 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -10.543 -9.936 5.428 1.00 0.00 H new ATOM 10 N SER A 0 -10.690 -12.082 3.889 1.00 0.00 N ATOM 11 CA SER A 0 -10.628 -12.928 2.722 1.00 0.00 C ATOM 12 C SER A 0 -11.357 -12.266 1.563 1.00 0.00 C ATOM 13 O SER A 0 -12.251 -11.436 1.790 1.00 0.00 O ATOM 14 CB SER A 0 -11.255 -14.283 3.038 1.00 0.00 C ATOM 15 OG SER A 0 -10.545 -14.939 4.083 1.00 0.00 O ATOM 0 H SER A 0 -11.639 -11.888 4.210 1.00 0.00 H new ATOM 0 HA SER A 0 -9.586 -13.077 2.439 1.00 0.00 H new ATOM 0 HB2 SER A 0 -12.296 -14.147 3.330 1.00 0.00 H new ATOM 0 HB3 SER A 0 -11.253 -14.907 2.144 1.00 0.00 H new ATOM 0 HG SER A 0 -10.965 -15.804 4.270 1.00 0.00 H new ATOM 21 N MET A 1 -10.960 -12.618 0.343 1.00 0.00 N ATOM 22 CA MET A 1 -11.537 -12.124 -0.891 1.00 0.00 C ATOM 23 C MET A 1 -11.399 -10.631 -1.051 1.00 0.00 C ATOM 24 O MET A 1 -12.246 -9.851 -0.599 1.00 0.00 O ATOM 25 CB MET A 1 -12.963 -12.603 -1.089 1.00 0.00 C ATOM 26 CG MET A 1 -13.043 -14.100 -1.246 1.00 0.00 C ATOM 27 SD MET A 1 -12.127 -14.702 -2.683 1.00 0.00 S ATOM 28 CE MET A 1 -12.965 -13.843 -4.022 1.00 0.00 C ATOM 0 H MET A 1 -10.199 -13.280 0.188 1.00 0.00 H new ATOM 0 HA MET A 1 -10.947 -12.561 -1.697 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.570 -12.296 -0.237 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.387 -12.123 -1.971 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.653 -14.577 -0.346 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.088 -14.396 -1.337 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.741 -14.337 -4.967 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.041 -13.861 -3.849 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.621 -12.809 -4.063 1.00 0.00 H new ATOM 38 N PRO A 2 -10.307 -10.206 -1.674 1.00 0.00 N ATOM 39 CA PRO A 2 -10.041 -8.810 -1.881 1.00 0.00 C ATOM 40 C PRO A 2 -10.870 -8.265 -3.043 1.00 0.00 C ATOM 41 O PRO A 2 -10.772 -8.739 -4.189 1.00 0.00 O ATOM 42 CB PRO A 2 -8.538 -8.789 -2.170 1.00 0.00 C ATOM 43 CG PRO A 2 -8.265 -10.089 -2.843 1.00 0.00 C ATOM 44 CD PRO A 2 -9.243 -11.071 -2.256 1.00 0.00 C ATOM 0 HA PRO A 2 -10.308 -8.177 -1.034 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -8.269 -7.948 -2.809 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -7.959 -8.689 -1.252 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -8.396 -10.005 -3.922 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -7.238 -10.410 -2.670 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -9.643 -11.741 -3.017 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -8.775 -11.696 -1.496 1.00 0.00 H new ATOM 52 N PHE A 3 -11.709 -7.310 -2.746 1.00 0.00 N ATOM 53 CA PHE A 3 -12.572 -6.736 -3.744 1.00 0.00 C ATOM 54 C PHE A 3 -12.357 -5.242 -3.774 1.00 0.00 C ATOM 55 O PHE A 3 -11.840 -4.695 -4.737 1.00 0.00 O ATOM 56 CB PHE A 3 -14.039 -7.077 -3.440 1.00 0.00 C ATOM 57 CG PHE A 3 -15.005 -6.611 -4.489 1.00 0.00 C ATOM 58 CD1 PHE A 3 -15.108 -7.283 -5.697 1.00 0.00 C ATOM 59 CD2 PHE A 3 -15.800 -5.497 -4.276 1.00 0.00 C ATOM 60 CE1 PHE A 3 -15.988 -6.854 -6.667 1.00 0.00 C ATOM 61 CE2 PHE A 3 -16.679 -5.065 -5.243 1.00 0.00 C ATOM 62 CZ PHE A 3 -16.772 -5.743 -6.438 1.00 0.00 C ATOM 0 H PHE A 3 -11.814 -6.910 -1.814 1.00 0.00 H new ATOM 0 HA PHE A 3 -12.333 -7.150 -4.723 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -14.134 -8.157 -3.327 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -14.314 -6.631 -2.484 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -14.493 -8.151 -5.880 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -15.729 -4.961 -3.341 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -16.063 -7.386 -7.604 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -17.295 -4.196 -5.065 1.00 0.00 H new ATOM 0 HZ PHE A 3 -17.461 -5.404 -7.198 1.00 0.00 H new ATOM 72 N ALA A 4 -12.672 -4.597 -2.677 1.00 0.00 N ATOM 73 CA ALA A 4 -12.483 -3.168 -2.555 1.00 0.00 C ATOM 74 C ALA A 4 -11.010 -2.924 -2.349 1.00 0.00 C ATOM 75 O ALA A 4 -10.436 -1.962 -2.849 1.00 0.00 O ATOM 76 CB ALA A 4 -13.282 -2.635 -1.379 1.00 0.00 C ATOM 0 H ALA A 4 -13.064 -5.042 -1.847 1.00 0.00 H new ATOM 0 HA ALA A 4 -12.830 -2.653 -3.451 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -13.133 -1.558 -1.296 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -14.341 -2.844 -1.534 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -12.947 -3.120 -0.462 1.00 0.00 H new ATOM 82 N GLU A 5 -10.396 -3.870 -1.668 1.00 0.00 N ATOM 83 CA GLU A 5 -8.989 -3.848 -1.367 1.00 0.00 C ATOM 84 C GLU A 5 -8.189 -4.129 -2.643 1.00 0.00 C ATOM 85 O GLU A 5 -7.024 -3.765 -2.752 1.00 0.00 O ATOM 86 CB GLU A 5 -8.651 -4.899 -0.287 1.00 0.00 C ATOM 87 CG GLU A 5 -9.713 -5.050 0.812 1.00 0.00 C ATOM 88 CD GLU A 5 -10.766 -6.097 0.455 1.00 0.00 C ATOM 89 OE1 GLU A 5 -11.696 -5.810 -0.344 1.00 0.00 O ATOM 90 OE2 GLU A 5 -10.657 -7.219 0.915 1.00 0.00 O ATOM 0 H GLU A 5 -10.877 -4.692 -1.303 1.00 0.00 H new ATOM 0 HA GLU A 5 -8.724 -2.863 -0.983 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.508 -5.865 -0.771 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.702 -4.631 0.177 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.228 -5.329 1.748 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -10.200 -4.089 0.979 1.00 0.00 H new ATOM 97 N ASP A 6 -8.834 -4.775 -3.601 1.00 0.00 N ATOM 98 CA ASP A 6 -8.218 -5.071 -4.894 1.00 0.00 C ATOM 99 C ASP A 6 -8.314 -3.832 -5.760 1.00 0.00 C ATOM 100 O ASP A 6 -7.337 -3.410 -6.392 1.00 0.00 O ATOM 101 CB ASP A 6 -8.936 -6.241 -5.581 1.00 0.00 C ATOM 102 CG ASP A 6 -8.312 -6.640 -6.909 1.00 0.00 C ATOM 103 OD1 ASP A 6 -8.581 -5.980 -7.944 1.00 0.00 O ATOM 104 OD2 ASP A 6 -7.561 -7.651 -6.947 1.00 0.00 O ATOM 0 H ASP A 6 -9.793 -5.109 -3.510 1.00 0.00 H new ATOM 0 HA ASP A 6 -7.176 -5.354 -4.746 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.931 -7.102 -4.913 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.979 -5.971 -5.745 1.00 0.00 H new ATOM 109 N LYS A 7 -9.499 -3.224 -5.750 1.00 0.00 N ATOM 110 CA LYS A 7 -9.751 -1.999 -6.489 1.00 0.00 C ATOM 111 C LYS A 7 -8.877 -0.856 -5.993 1.00 0.00 C ATOM 112 O LYS A 7 -8.476 -0.005 -6.777 1.00 0.00 O ATOM 113 CB LYS A 7 -11.225 -1.603 -6.437 1.00 0.00 C ATOM 114 CG LYS A 7 -12.146 -2.582 -7.139 1.00 0.00 C ATOM 115 CD LYS A 7 -13.567 -2.069 -7.153 1.00 0.00 C ATOM 116 CE LYS A 7 -14.516 -2.998 -7.903 1.00 0.00 C ATOM 117 NZ LYS A 7 -14.117 -3.192 -9.319 1.00 0.00 N ATOM 0 H LYS A 7 -10.306 -3.569 -5.230 1.00 0.00 H new ATOM 0 HA LYS A 7 -9.491 -2.199 -7.528 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -11.531 -1.514 -5.395 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -11.343 -0.618 -6.889 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -11.803 -2.742 -8.161 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -12.109 -3.548 -6.635 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -13.917 -1.949 -6.128 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -13.589 -1.082 -7.615 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -14.545 -3.965 -7.401 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -15.526 -2.589 -7.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -14.896 -3.642 -9.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -13.900 -2.270 -9.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -13.275 -3.800 -9.362 1.00 0.00 H new ATOM 131 N THR A 8 -8.562 -0.858 -4.698 1.00 0.00 N ATOM 132 CA THR A 8 -7.699 0.161 -4.122 1.00 0.00 C ATOM 133 C THR A 8 -6.317 0.146 -4.805 1.00 0.00 C ATOM 134 O THR A 8 -5.784 1.194 -5.151 1.00 0.00 O ATOM 135 CB THR A 8 -7.552 -0.008 -2.584 1.00 0.00 C ATOM 136 OG1 THR A 8 -8.851 0.003 -1.971 1.00 0.00 O ATOM 137 CG2 THR A 8 -6.727 1.128 -1.986 1.00 0.00 C ATOM 0 H THR A 8 -8.894 -1.556 -4.032 1.00 0.00 H new ATOM 0 HA THR A 8 -8.169 1.128 -4.300 1.00 0.00 H new ATOM 0 HB THR A 8 -7.047 -0.956 -2.396 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.312 -0.840 -2.166 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.639 0.986 -0.909 1.00 0.00 H new ATOM 0 HG22 THR A 8 -5.733 1.131 -2.434 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.218 2.080 -2.188 1.00 0.00 H new ATOM 145 N TYR A 9 -5.790 -1.055 -5.059 1.00 0.00 N ATOM 146 CA TYR A 9 -4.510 -1.220 -5.747 1.00 0.00 C ATOM 147 C TYR A 9 -4.566 -0.574 -7.121 1.00 0.00 C ATOM 148 O TYR A 9 -3.708 0.220 -7.478 1.00 0.00 O ATOM 149 CB TYR A 9 -4.168 -2.716 -5.883 1.00 0.00 C ATOM 150 CG TYR A 9 -2.932 -3.023 -6.726 1.00 0.00 C ATOM 151 CD1 TYR A 9 -1.657 -2.910 -6.198 1.00 0.00 C ATOM 152 CD2 TYR A 9 -3.052 -3.442 -8.052 1.00 0.00 C ATOM 153 CE1 TYR A 9 -0.537 -3.203 -6.962 1.00 0.00 C ATOM 154 CE2 TYR A 9 -1.938 -3.741 -8.814 1.00 0.00 C ATOM 155 CZ TYR A 9 -0.684 -3.618 -8.263 1.00 0.00 C ATOM 156 OH TYR A 9 0.429 -3.928 -9.013 1.00 0.00 O ATOM 0 H TYR A 9 -6.236 -1.933 -4.795 1.00 0.00 H new ATOM 0 HA TYR A 9 -3.733 -0.732 -5.159 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.021 -3.132 -4.886 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -5.024 -3.230 -6.320 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.533 -2.588 -5.175 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.034 -3.534 -8.491 1.00 0.00 H new ATOM 0 HE1 TYR A 9 0.450 -3.105 -6.534 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -2.052 -4.069 -9.837 1.00 0.00 H new ATOM 0 HH TYR A 9 0.717 -3.136 -9.514 1.00 0.00 H new ATOM 166 N LYS A 10 -5.609 -0.887 -7.857 1.00 0.00 N ATOM 167 CA LYS A 10 -5.783 -0.387 -9.206 1.00 0.00 C ATOM 168 C LYS A 10 -6.026 1.127 -9.218 1.00 0.00 C ATOM 169 O LYS A 10 -5.573 1.832 -10.128 1.00 0.00 O ATOM 170 CB LYS A 10 -6.909 -1.151 -9.901 1.00 0.00 C ATOM 171 CG LYS A 10 -6.585 -2.629 -10.116 1.00 0.00 C ATOM 172 CD LYS A 10 -7.769 -3.383 -10.690 1.00 0.00 C ATOM 173 CE LYS A 10 -7.410 -4.827 -11.059 1.00 0.00 C ATOM 174 NZ LYS A 10 -6.873 -5.611 -9.920 1.00 0.00 N ATOM 0 H LYS A 10 -6.363 -1.496 -7.538 1.00 0.00 H new ATOM 0 HA LYS A 10 -4.861 -0.556 -9.763 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.818 -1.067 -9.306 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.115 -0.686 -10.865 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.733 -2.721 -10.790 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.291 -3.079 -9.168 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.582 -3.386 -9.964 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.134 -2.863 -11.576 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.298 -5.326 -11.447 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.673 -4.816 -11.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.921 -6.626 -10.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.884 -5.341 -9.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.438 -5.417 -9.068 1.00 0.00 H new ATOM 188 N TYR A 11 -6.689 1.615 -8.185 1.00 0.00 N ATOM 189 CA TYR A 11 -6.991 3.029 -8.028 1.00 0.00 C ATOM 190 C TYR A 11 -5.701 3.791 -7.746 1.00 0.00 C ATOM 191 O TYR A 11 -5.396 4.791 -8.388 1.00 0.00 O ATOM 192 CB TYR A 11 -7.934 3.220 -6.834 1.00 0.00 C ATOM 193 CG TYR A 11 -8.730 4.516 -6.826 1.00 0.00 C ATOM 194 CD1 TYR A 11 -8.130 5.741 -6.553 1.00 0.00 C ATOM 195 CD2 TYR A 11 -10.095 4.501 -7.065 1.00 0.00 C ATOM 196 CE1 TYR A 11 -8.870 6.905 -6.517 1.00 0.00 C ATOM 197 CE2 TYR A 11 -10.840 5.662 -7.037 1.00 0.00 C ATOM 198 CZ TYR A 11 -10.223 6.861 -6.762 1.00 0.00 C ATOM 199 OH TYR A 11 -10.968 8.019 -6.713 1.00 0.00 O ATOM 0 H TYR A 11 -7.038 1.035 -7.422 1.00 0.00 H new ATOM 0 HA TYR A 11 -7.459 3.400 -8.940 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -8.634 2.385 -6.809 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -7.346 3.170 -5.918 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -7.067 5.782 -6.366 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -10.585 3.562 -7.277 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -8.389 7.847 -6.297 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -11.902 5.630 -7.230 1.00 0.00 H new ATOM 0 HH TYR A 11 -11.905 7.813 -6.911 1.00 0.00 H new ATOM 209 N ILE A 12 -4.950 3.298 -6.783 1.00 0.00 N ATOM 210 CA ILE A 12 -3.714 3.929 -6.345 1.00 0.00 C ATOM 211 C ILE A 12 -2.622 3.789 -7.398 1.00 0.00 C ATOM 212 O ILE A 12 -1.773 4.642 -7.516 1.00 0.00 O ATOM 213 CB ILE A 12 -3.262 3.386 -4.953 1.00 0.00 C ATOM 214 CG1 ILE A 12 -4.359 3.653 -3.895 1.00 0.00 C ATOM 215 CG2 ILE A 12 -1.930 3.995 -4.507 1.00 0.00 C ATOM 216 CD1 ILE A 12 -4.643 5.126 -3.631 1.00 0.00 C ATOM 0 H ILE A 12 -5.178 2.443 -6.276 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.906 4.995 -6.222 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.111 2.311 -5.051 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.282 3.171 -4.219 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.064 3.180 -2.958 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.652 3.590 -3.534 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.157 3.751 -5.235 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.031 5.078 -4.434 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.425 5.216 -2.877 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.736 5.613 -3.274 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.972 5.604 -4.554 1.00 0.00 H new ATOM 228 N CYS A 13 -2.707 2.752 -8.208 1.00 0.00 N ATOM 229 CA CYS A 13 -1.771 2.535 -9.316 1.00 0.00 C ATOM 230 C CYS A 13 -1.842 3.719 -10.307 1.00 0.00 C ATOM 231 O CYS A 13 -0.870 4.048 -10.988 1.00 0.00 O ATOM 232 CB CYS A 13 -2.123 1.218 -10.022 1.00 0.00 C ATOM 233 SG CYS A 13 -1.008 0.720 -11.347 1.00 0.00 S ATOM 0 H CYS A 13 -3.424 2.031 -8.124 1.00 0.00 H new ATOM 0 HA CYS A 13 -0.753 2.472 -8.931 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -2.150 0.423 -9.276 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -3.129 1.304 -10.432 1.00 0.00 H new ATOM 0 HG CYS A 13 -0.073 -0.043 -10.864 1.00 0.00 H new ATOM 239 N ARG A 14 -2.994 4.374 -10.329 1.00 0.00 N ATOM 240 CA ARG A 14 -3.238 5.534 -11.185 1.00 0.00 C ATOM 241 C ARG A 14 -2.526 6.766 -10.639 1.00 0.00 C ATOM 242 O ARG A 14 -2.218 7.686 -11.369 1.00 0.00 O ATOM 243 CB ARG A 14 -4.725 5.841 -11.234 1.00 0.00 C ATOM 244 CG ARG A 14 -5.594 4.719 -11.754 1.00 0.00 C ATOM 245 CD ARG A 14 -7.057 5.077 -11.621 1.00 0.00 C ATOM 246 NE ARG A 14 -7.350 6.384 -12.210 1.00 0.00 N ATOM 247 CZ ARG A 14 -8.332 7.196 -11.814 1.00 0.00 C ATOM 248 NH1 ARG A 14 -9.238 6.779 -10.928 1.00 0.00 N ATOM 249 NH2 ARG A 14 -8.422 8.411 -12.332 1.00 0.00 N ATOM 0 H ARG A 14 -3.794 4.116 -9.750 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.862 5.297 -12.180 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.059 6.104 -10.230 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -4.879 6.719 -11.861 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.356 4.521 -12.799 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -5.386 3.803 -11.200 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -7.664 4.314 -12.108 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.336 5.082 -10.567 1.00 0.00 H new ATOM 0 HE ARG A 14 -6.760 6.698 -12.980 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -9.183 5.834 -10.549 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -9.986 7.405 -10.630 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -7.744 8.720 -13.028 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -9.170 9.038 -12.035 1.00 0.00 H new ATOM 263 N ASN A 15 -2.272 6.773 -9.348 1.00 0.00 N ATOM 264 CA ASN A 15 -1.671 7.932 -8.689 1.00 0.00 C ATOM 265 C ASN A 15 -0.408 7.522 -7.966 1.00 0.00 C ATOM 266 O ASN A 15 0.064 8.196 -7.060 1.00 0.00 O ATOM 267 CB ASN A 15 -2.688 8.635 -7.753 1.00 0.00 C ATOM 268 CG ASN A 15 -3.182 7.792 -6.612 1.00 0.00 C ATOM 269 OD1 ASN A 15 -4.209 7.034 -6.854 1.00 0.00 O flip ATOM 270 ND2 ASN A 15 -2.657 7.830 -5.519 1.00 0.00 N flip ATOM 0 H ASN A 15 -2.470 5.990 -8.725 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.393 8.665 -9.447 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.225 9.535 -7.348 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.544 8.956 -8.346 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -1.852 8.436 -5.361 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.021 7.256 -4.758 1.00 0.00 H new ATOM 277 N PHE A 16 0.157 6.424 -8.442 1.00 0.00 N ATOM 278 CA PHE A 16 1.446 5.862 -7.979 1.00 0.00 C ATOM 279 C PHE A 16 2.544 6.941 -7.955 1.00 0.00 C ATOM 280 O PHE A 16 3.399 6.950 -7.082 1.00 0.00 O ATOM 281 CB PHE A 16 1.849 4.688 -8.911 1.00 0.00 C ATOM 282 CG PHE A 16 3.210 4.068 -8.654 1.00 0.00 C ATOM 283 CD1 PHE A 16 3.401 3.155 -7.627 1.00 0.00 C ATOM 284 CD2 PHE A 16 4.294 4.395 -9.461 1.00 0.00 C ATOM 285 CE1 PHE A 16 4.648 2.582 -7.414 1.00 0.00 C ATOM 286 CE2 PHE A 16 5.536 3.829 -9.246 1.00 0.00 C ATOM 287 CZ PHE A 16 5.712 2.922 -8.224 1.00 0.00 C ATOM 0 H PHE A 16 -0.271 5.871 -9.185 1.00 0.00 H new ATOM 0 HA PHE A 16 1.330 5.494 -6.960 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.094 3.906 -8.824 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.823 5.043 -9.941 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.573 2.888 -6.988 1.00 0.00 H new ATOM 0 HD2 PHE A 16 4.163 5.101 -10.267 1.00 0.00 H new ATOM 0 HE1 PHE A 16 4.785 1.870 -6.614 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.369 4.098 -9.879 1.00 0.00 H new ATOM 0 HZ PHE A 16 6.682 2.477 -8.057 1.00 0.00 H new ATOM 297 N SER A 17 2.465 7.866 -8.894 1.00 0.00 N ATOM 298 CA SER A 17 3.400 8.968 -9.008 1.00 0.00 C ATOM 299 C SER A 17 3.347 9.900 -7.760 1.00 0.00 C ATOM 300 O SER A 17 4.336 10.538 -7.409 1.00 0.00 O ATOM 301 CB SER A 17 3.070 9.737 -10.282 1.00 0.00 C ATOM 302 OG SER A 17 2.997 8.836 -11.389 1.00 0.00 O ATOM 0 H SER A 17 1.738 7.872 -9.609 1.00 0.00 H new ATOM 0 HA SER A 17 4.417 8.579 -9.058 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.121 10.261 -10.165 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.832 10.494 -10.468 1.00 0.00 H new ATOM 0 HG SER A 17 2.783 9.336 -12.204 1.00 0.00 H new ATOM 308 N ASN A 18 2.208 9.928 -7.079 1.00 0.00 N ATOM 309 CA ASN A 18 2.023 10.750 -5.869 1.00 0.00 C ATOM 310 C ASN A 18 2.684 10.051 -4.692 1.00 0.00 C ATOM 311 O ASN A 18 3.294 10.676 -3.824 1.00 0.00 O ATOM 312 CB ASN A 18 0.515 10.954 -5.602 1.00 0.00 C ATOM 313 CG ASN A 18 0.184 11.830 -4.395 1.00 0.00 C ATOM 314 OD1 ASN A 18 0.963 12.694 -3.979 1.00 0.00 O ATOM 315 ND2 ASN A 18 -0.999 11.650 -3.862 1.00 0.00 N ATOM 0 H ASN A 18 1.384 9.387 -7.341 1.00 0.00 H new ATOM 0 HA ASN A 18 2.483 11.728 -6.009 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.061 11.397 -6.489 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.051 9.978 -5.461 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.300 12.232 -3.080 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.619 10.928 -4.229 1.00 0.00 H new ATOM 322 N PHE A 19 2.625 8.737 -4.716 1.00 0.00 N ATOM 323 CA PHE A 19 3.224 7.920 -3.684 1.00 0.00 C ATOM 324 C PHE A 19 4.689 7.675 -3.964 1.00 0.00 C ATOM 325 O PHE A 19 5.386 7.097 -3.159 1.00 0.00 O ATOM 326 CB PHE A 19 2.478 6.594 -3.522 1.00 0.00 C ATOM 327 CG PHE A 19 1.150 6.722 -2.838 1.00 0.00 C ATOM 328 CD1 PHE A 19 0.037 7.182 -3.518 1.00 0.00 C ATOM 329 CD2 PHE A 19 1.017 6.375 -1.504 1.00 0.00 C ATOM 330 CE1 PHE A 19 -1.178 7.296 -2.879 1.00 0.00 C ATOM 331 CE2 PHE A 19 -0.196 6.486 -0.864 1.00 0.00 C ATOM 332 CZ PHE A 19 -1.294 6.949 -1.555 1.00 0.00 C ATOM 0 H PHE A 19 2.160 8.205 -5.452 1.00 0.00 H new ATOM 0 HA PHE A 19 3.144 8.469 -2.746 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.327 6.151 -4.506 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.103 5.904 -2.954 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.121 7.454 -4.560 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.876 6.013 -0.959 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -2.040 7.658 -3.419 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.287 6.211 0.176 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.247 7.039 -1.055 1.00 0.00 H new ATOM 342 N CYS A 20 5.174 8.163 -5.093 1.00 0.00 N ATOM 343 CA CYS A 20 6.567 7.984 -5.445 1.00 0.00 C ATOM 344 C CYS A 20 7.439 8.983 -4.656 1.00 0.00 C ATOM 345 O CYS A 20 8.661 9.053 -4.808 1.00 0.00 O ATOM 346 CB CYS A 20 6.777 8.109 -6.960 1.00 0.00 C ATOM 347 SG CYS A 20 8.383 7.504 -7.525 1.00 0.00 S ATOM 0 H CYS A 20 4.625 8.683 -5.777 1.00 0.00 H new ATOM 0 HA CYS A 20 6.875 6.975 -5.170 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.990 7.557 -7.473 1.00 0.00 H new ATOM 0 HB3 CYS A 20 6.672 9.155 -7.247 1.00 0.00 H new ATOM 0 HG CYS A 20 8.901 6.733 -6.615 1.00 0.00 H new ATOM 353 N ASN A 21 6.787 9.737 -3.814 1.00 0.00 N ATOM 354 CA ASN A 21 7.434 10.614 -2.910 1.00 0.00 C ATOM 355 C ASN A 21 7.009 10.192 -1.519 1.00 0.00 C ATOM 356 O ASN A 21 6.118 10.775 -0.922 1.00 0.00 O ATOM 357 CB ASN A 21 7.070 12.080 -3.183 1.00 0.00 C ATOM 358 CG ASN A 21 7.963 13.034 -2.417 1.00 0.00 C ATOM 359 OD1 ASN A 21 9.014 13.443 -2.905 1.00 0.00 O ATOM 360 ND2 ASN A 21 7.577 13.392 -1.239 1.00 0.00 N ATOM 0 H ASN A 21 5.769 9.750 -3.745 1.00 0.00 H new ATOM 0 HA ASN A 21 8.516 10.551 -3.023 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.153 12.282 -4.251 1.00 0.00 H new ATOM 0 HB3 ASN A 21 6.030 12.254 -2.906 1.00 0.00 H new ATOM 0 HD21 ASN A 21 8.149 14.031 -0.687 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.700 13.036 -0.860 1.00 0.00 H new ATOM 367 N VAL A 22 7.538 9.074 -1.093 1.00 0.00 N ATOM 368 CA VAL A 22 7.274 8.529 0.223 1.00 0.00 C ATOM 369 C VAL A 22 8.508 7.740 0.623 1.00 0.00 C ATOM 370 O VAL A 22 9.372 7.471 -0.234 1.00 0.00 O ATOM 371 CB VAL A 22 6.028 7.554 0.210 1.00 0.00 C ATOM 372 CG1 VAL A 22 6.353 6.222 -0.400 1.00 0.00 C ATOM 373 CG2 VAL A 22 5.434 7.365 1.580 1.00 0.00 C ATOM 0 H VAL A 22 8.173 8.506 -1.654 1.00 0.00 H new ATOM 0 HA VAL A 22 7.053 9.338 0.919 1.00 0.00 H new ATOM 0 HB VAL A 22 5.281 8.040 -0.417 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.466 5.589 -0.386 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.681 6.364 -1.430 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.149 5.744 0.172 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.582 6.688 1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 22 6.185 6.942 2.247 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.104 8.328 1.969 1.00 0.00 H new ATOM 383 N ASP A 23 8.622 7.385 1.863 1.00 0.00 N ATOM 384 CA ASP A 23 9.694 6.528 2.270 1.00 0.00 C ATOM 385 C ASP A 23 9.112 5.157 2.495 1.00 0.00 C ATOM 386 O ASP A 23 8.272 4.977 3.376 1.00 0.00 O ATOM 387 CB ASP A 23 10.363 6.986 3.539 1.00 0.00 C ATOM 388 CG ASP A 23 11.639 6.233 3.726 1.00 0.00 C ATOM 389 OD1 ASP A 23 11.592 5.092 4.152 1.00 0.00 O ATOM 390 OD2 ASP A 23 12.717 6.780 3.403 1.00 0.00 O ATOM 0 H ASP A 23 7.990 7.673 2.610 1.00 0.00 H new ATOM 0 HA ASP A 23 10.455 6.536 1.490 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.563 8.056 3.492 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.703 6.822 4.391 1.00 0.00 H new ATOM 395 N VAL A 24 9.542 4.205 1.721 1.00 0.00 N ATOM 396 CA VAL A 24 8.960 2.881 1.768 1.00 0.00 C ATOM 397 C VAL A 24 9.489 2.075 2.975 1.00 0.00 C ATOM 398 O VAL A 24 8.782 1.222 3.516 1.00 0.00 O ATOM 399 CB VAL A 24 9.206 2.113 0.433 1.00 0.00 C ATOM 400 CG1 VAL A 24 8.376 0.836 0.365 1.00 0.00 C ATOM 401 CG2 VAL A 24 8.877 2.987 -0.764 1.00 0.00 C ATOM 0 H VAL A 24 10.297 4.314 1.044 1.00 0.00 H new ATOM 0 HA VAL A 24 7.884 2.999 1.896 1.00 0.00 H new ATOM 0 HB VAL A 24 10.263 1.848 0.407 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.571 0.325 -0.578 1.00 0.00 H new ATOM 0 HG12 VAL A 24 8.645 0.182 1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.317 1.086 0.430 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.057 2.429 -1.683 1.00 0.00 H new ATOM 0 HG22 VAL A 24 7.830 3.285 -0.720 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.508 3.876 -0.750 1.00 0.00 H new ATOM 411 N VAL A 25 10.695 2.387 3.441 1.00 0.00 N ATOM 412 CA VAL A 25 11.261 1.630 4.560 1.00 0.00 C ATOM 413 C VAL A 25 10.702 2.075 5.892 1.00 0.00 C ATOM 414 O VAL A 25 10.526 1.258 6.797 1.00 0.00 O ATOM 415 CB VAL A 25 12.818 1.550 4.609 1.00 0.00 C ATOM 416 CG1 VAL A 25 13.352 0.846 3.392 1.00 0.00 C ATOM 417 CG2 VAL A 25 13.491 2.901 4.780 1.00 0.00 C ATOM 0 H VAL A 25 11.286 3.134 3.077 1.00 0.00 H new ATOM 0 HA VAL A 25 10.936 0.609 4.360 1.00 0.00 H new ATOM 0 HB VAL A 25 13.063 0.972 5.500 1.00 0.00 H new ATOM 0 HG11 VAL A 25 14.440 0.801 3.446 1.00 0.00 H new ATOM 0 HG12 VAL A 25 12.948 -0.166 3.351 1.00 0.00 H new ATOM 0 HG13 VAL A 25 13.055 1.392 2.496 1.00 0.00 H new ATOM 0 HG21 VAL A 25 14.573 2.768 4.806 1.00 0.00 H new ATOM 0 HG22 VAL A 25 13.225 3.548 3.945 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.159 3.357 5.713 1.00 0.00 H new ATOM 427 N GLU A 26 10.412 3.355 6.003 1.00 0.00 N ATOM 428 CA GLU A 26 9.781 3.920 7.164 1.00 0.00 C ATOM 429 C GLU A 26 8.368 3.353 7.351 1.00 0.00 C ATOM 430 O GLU A 26 7.899 3.201 8.464 1.00 0.00 O ATOM 431 CB GLU A 26 9.746 5.431 7.015 1.00 0.00 C ATOM 432 CG GLU A 26 11.110 6.098 7.084 1.00 0.00 C ATOM 433 CD GLU A 26 11.835 5.839 8.374 1.00 0.00 C ATOM 434 OE1 GLU A 26 11.561 6.533 9.370 1.00 0.00 O ATOM 435 OE2 GLU A 26 12.711 4.968 8.416 1.00 0.00 O ATOM 0 H GLU A 26 10.614 4.038 5.273 1.00 0.00 H new ATOM 0 HA GLU A 26 10.354 3.657 8.053 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.281 5.680 6.061 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.111 5.847 7.797 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.722 5.744 6.254 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.988 7.173 6.954 1.00 0.00 H new ATOM 442 N ILE A 27 7.731 3.023 6.247 1.00 0.00 N ATOM 443 CA ILE A 27 6.388 2.423 6.223 1.00 0.00 C ATOM 444 C ILE A 27 6.387 1.001 6.794 1.00 0.00 C ATOM 445 O ILE A 27 5.464 0.631 7.504 1.00 0.00 O ATOM 446 CB ILE A 27 5.843 2.420 4.756 1.00 0.00 C ATOM 447 CG1 ILE A 27 5.370 3.815 4.359 1.00 0.00 C ATOM 448 CG2 ILE A 27 4.759 1.364 4.505 1.00 0.00 C ATOM 449 CD1 ILE A 27 5.000 3.931 2.895 1.00 0.00 C ATOM 0 H ILE A 27 8.128 3.162 5.318 1.00 0.00 H new ATOM 0 HA ILE A 27 5.737 3.026 6.856 1.00 0.00 H new ATOM 0 HB ILE A 27 6.677 2.135 4.115 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.506 4.084 4.967 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.156 4.535 4.586 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.429 1.421 3.468 1.00 0.00 H new ATOM 0 HG22 ILE A 27 5.165 0.372 4.703 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.912 1.548 5.166 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.673 4.949 2.682 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.868 3.693 2.280 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.193 3.235 2.668 1.00 0.00 H new ATOM 461 N LEU A 28 7.445 0.249 6.524 1.00 0.00 N ATOM 462 CA LEU A 28 7.538 -1.178 6.909 1.00 0.00 C ATOM 463 C LEU A 28 7.154 -1.478 8.396 1.00 0.00 C ATOM 464 O LEU A 28 6.300 -2.325 8.641 1.00 0.00 O ATOM 465 CB LEU A 28 8.919 -1.758 6.563 1.00 0.00 C ATOM 466 CG LEU A 28 9.352 -1.644 5.097 1.00 0.00 C ATOM 467 CD1 LEU A 28 10.745 -2.214 4.901 1.00 0.00 C ATOM 468 CD2 LEU A 28 8.363 -2.337 4.180 1.00 0.00 C ATOM 0 H LEU A 28 8.269 0.597 6.033 1.00 0.00 H new ATOM 0 HA LEU A 28 6.780 -1.685 6.312 1.00 0.00 H new ATOM 0 HB2 LEU A 28 9.665 -1.258 7.181 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.928 -2.812 6.842 1.00 0.00 H new ATOM 0 HG LEU A 28 9.372 -0.586 4.837 1.00 0.00 H new ATOM 0 HD11 LEU A 28 11.031 -2.122 3.853 1.00 0.00 H new ATOM 0 HD12 LEU A 28 11.454 -1.664 5.520 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.752 -3.265 5.188 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.696 -2.240 3.146 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.301 -3.393 4.444 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.381 -1.877 4.290 1.00 0.00 H new ATOM 480 N PRO A 29 7.743 -0.791 9.419 1.00 0.00 N ATOM 481 CA PRO A 29 7.382 -1.040 10.829 1.00 0.00 C ATOM 482 C PRO A 29 5.989 -0.482 11.201 1.00 0.00 C ATOM 483 O PRO A 29 5.455 -0.763 12.284 1.00 0.00 O ATOM 484 CB PRO A 29 8.476 -0.305 11.603 1.00 0.00 C ATOM 485 CG PRO A 29 8.904 0.787 10.695 1.00 0.00 C ATOM 486 CD PRO A 29 8.813 0.228 9.312 1.00 0.00 C ATOM 0 HA PRO A 29 7.320 -2.106 11.048 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.098 0.089 12.547 1.00 0.00 H new ATOM 0 HB3 PRO A 29 9.306 -0.969 11.844 1.00 0.00 H new ATOM 0 HG2 PRO A 29 8.263 1.661 10.806 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.921 1.107 10.921 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.561 0.999 8.584 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.758 -0.214 8.995 1.00 0.00 H new ATOM 494 N TYR A 30 5.407 0.273 10.301 1.00 0.00 N ATOM 495 CA TYR A 30 4.120 0.887 10.504 1.00 0.00 C ATOM 496 C TYR A 30 3.022 0.148 9.737 1.00 0.00 C ATOM 497 O TYR A 30 1.841 0.506 9.820 1.00 0.00 O ATOM 498 CB TYR A 30 4.178 2.361 10.074 1.00 0.00 C ATOM 499 CG TYR A 30 4.886 3.276 11.052 1.00 0.00 C ATOM 500 CD1 TYR A 30 4.388 3.470 12.331 1.00 0.00 C ATOM 501 CD2 TYR A 30 6.045 3.938 10.700 1.00 0.00 C ATOM 502 CE1 TYR A 30 5.029 4.300 13.229 1.00 0.00 C ATOM 503 CE2 TYR A 30 6.694 4.769 11.589 1.00 0.00 C ATOM 504 CZ TYR A 30 6.182 4.948 12.851 1.00 0.00 C ATOM 505 OH TYR A 30 6.837 5.775 13.750 1.00 0.00 O ATOM 0 H TYR A 30 5.822 0.481 9.393 1.00 0.00 H new ATOM 0 HA TYR A 30 3.874 0.830 11.564 1.00 0.00 H new ATOM 0 HB2 TYR A 30 4.680 2.425 9.109 1.00 0.00 H new ATOM 0 HB3 TYR A 30 3.160 2.724 9.929 1.00 0.00 H new ATOM 0 HD1 TYR A 30 3.483 2.963 12.630 1.00 0.00 H new ATOM 0 HD2 TYR A 30 6.452 3.803 9.709 1.00 0.00 H new ATOM 0 HE1 TYR A 30 4.628 4.440 14.222 1.00 0.00 H new ATOM 0 HE2 TYR A 30 7.601 5.277 11.294 1.00 0.00 H new ATOM 0 HH TYR A 30 7.634 6.154 13.325 1.00 0.00 H new ATOM 515 N LEU A 31 3.401 -0.885 9.015 1.00 0.00 N ATOM 516 CA LEU A 31 2.486 -1.625 8.201 1.00 0.00 C ATOM 517 C LEU A 31 2.631 -3.149 8.482 1.00 0.00 C ATOM 518 O LEU A 31 3.462 -3.827 7.890 1.00 0.00 O ATOM 519 CB LEU A 31 2.803 -1.302 6.748 1.00 0.00 C ATOM 520 CG LEU A 31 1.903 -1.910 5.724 1.00 0.00 C ATOM 521 CD1 LEU A 31 0.510 -1.343 5.807 1.00 0.00 C ATOM 522 CD2 LEU A 31 2.484 -1.789 4.339 1.00 0.00 C ATOM 0 H LEU A 31 4.360 -1.230 8.982 1.00 0.00 H new ATOM 0 HA LEU A 31 1.455 -1.351 8.426 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.779 -0.219 6.625 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.824 -1.624 6.541 1.00 0.00 H new ATOM 0 HG LEU A 31 1.824 -2.975 5.943 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.118 -1.808 5.047 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.094 -1.543 6.794 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.545 -0.266 5.640 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.803 -2.242 3.618 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.624 -0.736 4.094 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.445 -2.301 4.302 1.00 0.00 H new ATOM 534 N PRO A 32 1.846 -3.694 9.423 1.00 0.00 N ATOM 535 CA PRO A 32 1.969 -5.084 9.862 1.00 0.00 C ATOM 536 C PRO A 32 0.907 -6.044 9.265 1.00 0.00 C ATOM 537 O PRO A 32 0.446 -6.970 9.945 1.00 0.00 O ATOM 538 CB PRO A 32 1.727 -4.909 11.352 1.00 0.00 C ATOM 539 CG PRO A 32 0.659 -3.856 11.433 1.00 0.00 C ATOM 540 CD PRO A 32 0.802 -2.998 10.191 1.00 0.00 C ATOM 0 HA PRO A 32 2.913 -5.538 9.561 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.403 -5.841 11.815 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.634 -4.596 11.868 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -0.331 -4.311 11.478 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.775 -3.255 12.335 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -0.133 -2.935 9.635 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.096 -1.978 10.438 1.00 0.00 H new ATOM 548 N CYS A 33 0.544 -5.857 8.015 1.00 0.00 N ATOM 549 CA CYS A 33 -0.463 -6.721 7.390 1.00 0.00 C ATOM 550 C CYS A 33 0.157 -7.772 6.473 1.00 0.00 C ATOM 551 O CYS A 33 -0.541 -8.578 5.848 1.00 0.00 O ATOM 552 CB CYS A 33 -1.494 -5.873 6.664 1.00 0.00 C ATOM 553 SG CYS A 33 -0.785 -4.616 5.582 1.00 0.00 S ATOM 0 H CYS A 33 0.919 -5.127 7.409 1.00 0.00 H new ATOM 0 HA CYS A 33 -0.966 -7.277 8.181 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.135 -6.527 6.072 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.131 -5.385 7.401 1.00 0.00 H new ATOM 0 HG CYS A 33 -1.590 -3.598 5.514 1.00 0.00 H new ATOM 559 N LEU A 34 1.458 -7.779 6.418 1.00 0.00 N ATOM 560 CA LEU A 34 2.172 -8.712 5.574 1.00 0.00 C ATOM 561 C LEU A 34 3.062 -9.601 6.380 1.00 0.00 C ATOM 562 O LEU A 34 3.240 -9.390 7.585 1.00 0.00 O ATOM 563 CB LEU A 34 3.016 -8.005 4.529 1.00 0.00 C ATOM 564 CG LEU A 34 2.269 -7.147 3.544 1.00 0.00 C ATOM 565 CD1 LEU A 34 2.117 -5.724 4.045 1.00 0.00 C ATOM 566 CD2 LEU A 34 2.924 -7.225 2.199 1.00 0.00 C ATOM 0 H LEU A 34 2.056 -7.146 6.950 1.00 0.00 H new ATOM 0 HA LEU A 34 1.411 -9.309 5.071 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.746 -7.380 5.043 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.575 -8.758 3.973 1.00 0.00 H new ATOM 0 HG LEU A 34 1.255 -7.532 3.438 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.573 -5.135 3.307 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.566 -5.726 4.986 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.103 -5.287 4.203 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.378 -6.601 1.491 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.953 -6.873 2.274 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.919 -8.258 1.851 1.00 0.00 H new ATOM 578 N THR A 35 3.622 -10.579 5.721 1.00 0.00 N ATOM 579 CA THR A 35 4.547 -11.477 6.311 1.00 0.00 C ATOM 580 C THR A 35 5.886 -10.745 6.441 1.00 0.00 C ATOM 581 O THR A 35 6.164 -9.816 5.649 1.00 0.00 O ATOM 582 CB THR A 35 4.730 -12.658 5.360 1.00 0.00 C ATOM 583 OG1 THR A 35 3.597 -12.706 4.458 1.00 0.00 O ATOM 584 CG2 THR A 35 4.796 -13.956 6.124 1.00 0.00 C ATOM 0 H THR A 35 3.436 -10.769 4.736 1.00 0.00 H new ATOM 0 HA THR A 35 4.198 -11.822 7.284 1.00 0.00 H new ATOM 0 HB THR A 35 5.662 -12.527 4.810 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.871 -12.392 3.571 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.927 -14.783 5.426 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.638 -13.929 6.816 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.871 -14.096 6.684 1.00 0.00 H new ATOM 592 N ALA A 36 6.709 -11.151 7.391 1.00 0.00 N ATOM 593 CA ALA A 36 8.002 -10.520 7.614 1.00 0.00 C ATOM 594 C ALA A 36 8.859 -10.583 6.364 1.00 0.00 C ATOM 595 O ALA A 36 9.506 -9.617 6.014 1.00 0.00 O ATOM 596 CB ALA A 36 8.724 -11.162 8.780 1.00 0.00 C ATOM 0 H ALA A 36 6.504 -11.922 8.027 1.00 0.00 H new ATOM 0 HA ALA A 36 7.823 -9.472 7.856 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.687 -10.673 8.926 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.123 -11.056 9.683 1.00 0.00 H new ATOM 0 HB3 ALA A 36 8.883 -12.220 8.572 1.00 0.00 H new ATOM 602 N ARG A 37 8.807 -11.719 5.677 1.00 0.00 N ATOM 603 CA ARG A 37 9.559 -11.948 4.443 1.00 0.00 C ATOM 604 C ARG A 37 9.171 -10.925 3.361 1.00 0.00 C ATOM 605 O ARG A 37 10.028 -10.421 2.640 1.00 0.00 O ATOM 606 CB ARG A 37 9.312 -13.373 3.939 1.00 0.00 C ATOM 607 CG ARG A 37 10.171 -13.778 2.756 1.00 0.00 C ATOM 608 CD ARG A 37 9.841 -15.183 2.303 1.00 0.00 C ATOM 609 NE ARG A 37 10.742 -15.650 1.248 1.00 0.00 N ATOM 610 CZ ARG A 37 10.594 -16.789 0.566 1.00 0.00 C ATOM 611 NH1 ARG A 37 9.524 -17.564 0.759 1.00 0.00 N ATOM 612 NH2 ARG A 37 11.509 -17.139 -0.318 1.00 0.00 N ATOM 0 H ARG A 37 8.237 -12.516 5.962 1.00 0.00 H new ATOM 0 HA ARG A 37 10.620 -11.823 4.659 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.490 -14.071 4.757 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.263 -13.470 3.660 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.015 -13.081 1.933 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.224 -13.718 3.029 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.900 -15.861 3.155 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.813 -15.214 1.941 1.00 0.00 H new ATOM 0 HE ARG A 37 11.542 -15.062 1.016 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.809 -17.288 1.433 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.421 -18.432 0.233 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.321 -16.542 -0.476 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.405 -18.007 -0.844 1.00 0.00 H new ATOM 626 N ASP A 38 7.881 -10.600 3.286 1.00 0.00 N ATOM 627 CA ASP A 38 7.374 -9.622 2.307 1.00 0.00 C ATOM 628 C ASP A 38 7.962 -8.257 2.589 1.00 0.00 C ATOM 629 O ASP A 38 8.432 -7.569 1.688 1.00 0.00 O ATOM 630 CB ASP A 38 5.832 -9.523 2.336 1.00 0.00 C ATOM 631 CG ASP A 38 5.108 -10.699 1.720 1.00 0.00 C ATOM 632 OD1 ASP A 38 4.845 -11.686 2.430 1.00 0.00 O ATOM 633 OD2 ASP A 38 4.736 -10.640 0.529 1.00 0.00 O ATOM 0 H ASP A 38 7.162 -10.997 3.890 1.00 0.00 H new ATOM 0 HA ASP A 38 7.676 -9.966 1.318 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.508 -9.417 3.371 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.531 -8.615 1.814 1.00 0.00 H new ATOM 638 N GLN A 39 7.965 -7.885 3.854 1.00 0.00 N ATOM 639 CA GLN A 39 8.492 -6.598 4.280 1.00 0.00 C ATOM 640 C GLN A 39 10.011 -6.567 4.168 1.00 0.00 C ATOM 641 O GLN A 39 10.607 -5.561 3.782 1.00 0.00 O ATOM 642 CB GLN A 39 8.052 -6.306 5.702 1.00 0.00 C ATOM 643 CG GLN A 39 6.546 -6.226 5.850 1.00 0.00 C ATOM 644 CD GLN A 39 5.926 -5.126 5.008 1.00 0.00 C ATOM 645 OE1 GLN A 39 5.561 -5.441 3.789 1.00 0.00 O flip ATOM 646 NE2 GLN A 39 5.780 -4.006 5.454 1.00 0.00 N flip ATOM 0 H GLN A 39 7.605 -8.461 4.614 1.00 0.00 H new ATOM 0 HA GLN A 39 8.095 -5.824 3.623 1.00 0.00 H new ATOM 0 HB2 GLN A 39 8.436 -7.084 6.362 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.494 -5.364 6.027 1.00 0.00 H new ATOM 0 HG2 GLN A 39 6.107 -7.183 5.568 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.298 -6.058 6.898 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.075 -3.794 6.407 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.362 -3.277 4.875 1.00 0.00 H new ATOM 655 N ASP A 40 10.623 -7.688 4.480 1.00 0.00 N ATOM 656 CA ASP A 40 12.074 -7.858 4.417 1.00 0.00 C ATOM 657 C ASP A 40 12.555 -7.717 2.981 1.00 0.00 C ATOM 658 O ASP A 40 13.601 -7.132 2.720 1.00 0.00 O ATOM 659 CB ASP A 40 12.454 -9.230 4.956 1.00 0.00 C ATOM 660 CG ASP A 40 13.940 -9.431 5.084 1.00 0.00 C ATOM 661 OD1 ASP A 40 14.505 -9.107 6.145 1.00 0.00 O ATOM 662 OD2 ASP A 40 14.569 -9.943 4.142 1.00 0.00 O ATOM 0 H ASP A 40 10.128 -8.524 4.790 1.00 0.00 H new ATOM 0 HA ASP A 40 12.548 -7.088 5.025 1.00 0.00 H new ATOM 0 HB2 ASP A 40 11.990 -9.370 5.933 1.00 0.00 H new ATOM 0 HB3 ASP A 40 12.046 -9.997 4.297 1.00 0.00 H new ATOM 667 N ARG A 41 11.766 -8.250 2.059 1.00 0.00 N ATOM 668 CA ARG A 41 12.025 -8.142 0.623 1.00 0.00 C ATOM 669 C ARG A 41 12.047 -6.679 0.190 1.00 0.00 C ATOM 670 O ARG A 41 12.899 -6.256 -0.599 1.00 0.00 O ATOM 671 CB ARG A 41 10.954 -8.899 -0.163 1.00 0.00 C ATOM 672 CG ARG A 41 11.070 -8.743 -1.662 1.00 0.00 C ATOM 673 CD ARG A 41 9.999 -9.522 -2.379 1.00 0.00 C ATOM 674 NE ARG A 41 10.030 -9.303 -3.827 1.00 0.00 N ATOM 675 CZ ARG A 41 9.215 -9.899 -4.696 1.00 0.00 C ATOM 676 NH1 ARG A 41 8.364 -10.842 -4.285 1.00 0.00 N ATOM 677 NH2 ARG A 41 9.262 -9.567 -5.977 1.00 0.00 N ATOM 0 H ARG A 41 10.921 -8.774 2.284 1.00 0.00 H new ATOM 0 HA ARG A 41 13.000 -8.583 0.416 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.014 -9.958 0.088 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.971 -8.551 0.154 1.00 0.00 H new ATOM 0 HG2 ARG A 41 10.994 -7.688 -1.927 1.00 0.00 H new ATOM 0 HG3 ARG A 41 12.052 -9.084 -1.990 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.125 -10.585 -2.171 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.022 -9.235 -1.991 1.00 0.00 H new ATOM 0 HE ARG A 41 10.722 -8.650 -4.195 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.336 -11.109 -3.301 1.00 0.00 H new ATOM 0 HH12 ARG A 41 7.742 -11.295 -4.955 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.921 -8.857 -6.296 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.639 -10.022 -6.645 1.00 0.00 H new ATOM 691 N LEU A 42 11.128 -5.908 0.726 1.00 0.00 N ATOM 692 CA LEU A 42 11.055 -4.490 0.429 1.00 0.00 C ATOM 693 C LEU A 42 12.285 -3.779 0.984 1.00 0.00 C ATOM 694 O LEU A 42 12.818 -2.869 0.370 1.00 0.00 O ATOM 695 CB LEU A 42 9.762 -3.909 0.986 1.00 0.00 C ATOM 696 CG LEU A 42 8.482 -4.521 0.403 1.00 0.00 C ATOM 697 CD1 LEU A 42 7.267 -4.015 1.135 1.00 0.00 C ATOM 698 CD2 LEU A 42 8.364 -4.203 -1.078 1.00 0.00 C ATOM 0 H LEU A 42 10.414 -6.240 1.375 1.00 0.00 H new ATOM 0 HA LEU A 42 11.046 -4.340 -0.651 1.00 0.00 H new ATOM 0 HB2 LEU A 42 9.754 -4.046 2.067 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.752 -2.835 0.800 1.00 0.00 H new ATOM 0 HG LEU A 42 8.539 -5.602 0.527 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.371 -4.462 0.705 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.338 -4.286 2.188 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.212 -2.930 1.042 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.450 -4.646 -1.473 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.333 -3.122 -1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.224 -4.613 -1.608 1.00 0.00 H new ATOM 710 N ARG A 43 12.780 -4.283 2.102 1.00 0.00 N ATOM 711 CA ARG A 43 13.999 -3.778 2.737 1.00 0.00 C ATOM 712 C ARG A 43 15.262 -4.315 1.986 1.00 0.00 C ATOM 713 O ARG A 43 16.398 -4.134 2.417 1.00 0.00 O ATOM 714 CB ARG A 43 14.025 -4.202 4.217 1.00 0.00 C ATOM 715 CG ARG A 43 15.170 -3.609 5.024 1.00 0.00 C ATOM 716 CD ARG A 43 15.222 -4.175 6.425 1.00 0.00 C ATOM 717 NE ARG A 43 15.422 -5.643 6.436 1.00 0.00 N ATOM 718 CZ ARG A 43 16.465 -6.284 6.999 1.00 0.00 C ATOM 719 NH1 ARG A 43 17.428 -5.601 7.609 1.00 0.00 N ATOM 720 NH2 ARG A 43 16.521 -7.603 6.977 1.00 0.00 N ATOM 0 H ARG A 43 12.349 -5.060 2.603 1.00 0.00 H new ATOM 0 HA ARG A 43 14.008 -2.689 2.683 1.00 0.00 H new ATOM 0 HB2 ARG A 43 13.082 -3.913 4.681 1.00 0.00 H new ATOM 0 HB3 ARG A 43 14.085 -5.289 4.269 1.00 0.00 H new ATOM 0 HG2 ARG A 43 16.114 -3.808 4.516 1.00 0.00 H new ATOM 0 HG3 ARG A 43 15.057 -2.526 5.074 1.00 0.00 H new ATOM 0 HD2 ARG A 43 16.031 -3.697 6.977 1.00 0.00 H new ATOM 0 HD3 ARG A 43 14.295 -3.934 6.946 1.00 0.00 H new ATOM 0 HE ARG A 43 14.712 -6.216 5.980 1.00 0.00 H new ATOM 0 HH11 ARG A 43 17.381 -4.583 7.654 1.00 0.00 H new ATOM 0 HH12 ARG A 43 18.214 -6.095 8.032 1.00 0.00 H new ATOM 0 HH21 ARG A 43 15.774 -8.138 6.533 1.00 0.00 H new ATOM 0 HH22 ARG A 43 17.311 -8.087 7.403 1.00 0.00 H new ATOM 734 N ALA A 44 15.048 -4.984 0.885 1.00 0.00 N ATOM 735 CA ALA A 44 16.138 -5.409 0.038 1.00 0.00 C ATOM 736 C ALA A 44 16.139 -4.539 -1.211 1.00 0.00 C ATOM 737 O ALA A 44 17.148 -3.921 -1.570 1.00 0.00 O ATOM 738 CB ALA A 44 15.998 -6.886 -0.321 1.00 0.00 C ATOM 0 H ALA A 44 14.122 -5.250 0.549 1.00 0.00 H new ATOM 0 HA ALA A 44 17.086 -5.295 0.564 1.00 0.00 H new ATOM 0 HB1 ALA A 44 16.829 -7.186 -0.959 1.00 0.00 H new ATOM 0 HB2 ALA A 44 16.006 -7.484 0.590 1.00 0.00 H new ATOM 0 HB3 ALA A 44 15.058 -7.044 -0.850 1.00 0.00 H new ATOM 744 N THR A 45 14.967 -4.425 -1.818 1.00 0.00 N ATOM 745 CA THR A 45 14.778 -3.651 -3.029 1.00 0.00 C ATOM 746 C THR A 45 14.980 -2.131 -2.762 1.00 0.00 C ATOM 747 O THR A 45 15.337 -1.371 -3.676 1.00 0.00 O ATOM 748 CB THR A 45 13.361 -3.920 -3.584 1.00 0.00 C ATOM 749 OG1 THR A 45 13.139 -5.347 -3.616 1.00 0.00 O ATOM 750 CG2 THR A 45 13.207 -3.370 -4.997 1.00 0.00 C ATOM 0 H THR A 45 14.115 -4.872 -1.479 1.00 0.00 H new ATOM 0 HA THR A 45 15.523 -3.956 -3.764 1.00 0.00 H new ATOM 0 HB THR A 45 12.636 -3.424 -2.938 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.242 -5.531 -3.965 1.00 0.00 H new ATOM 0 HG21 THR A 45 12.200 -3.575 -5.359 1.00 0.00 H new ATOM 0 HG22 THR A 45 13.378 -2.293 -4.989 1.00 0.00 H new ATOM 0 HG23 THR A 45 13.933 -3.848 -5.655 1.00 0.00 H new ATOM 758 N CYS A 46 14.801 -1.712 -1.513 1.00 0.00 N ATOM 759 CA CYS A 46 14.965 -0.339 -1.119 1.00 0.00 C ATOM 760 C CYS A 46 16.401 0.136 -1.367 1.00 0.00 C ATOM 761 O CYS A 46 16.630 1.229 -1.857 1.00 0.00 O ATOM 762 CB CYS A 46 14.614 -0.216 0.350 1.00 0.00 C ATOM 763 SG CYS A 46 15.642 -1.191 1.454 1.00 0.00 S ATOM 0 H CYS A 46 14.536 -2.331 -0.747 1.00 0.00 H new ATOM 0 HA CYS A 46 14.305 0.291 -1.715 1.00 0.00 H new ATOM 0 HB2 CYS A 46 14.686 0.832 0.640 1.00 0.00 H new ATOM 0 HB3 CYS A 46 13.574 -0.513 0.487 1.00 0.00 H new ATOM 0 HG CYS A 46 16.895 -0.970 1.189 1.00 0.00 H new ATOM 769 N THR A 47 17.343 -0.709 -1.058 1.00 0.00 N ATOM 770 CA THR A 47 18.738 -0.399 -1.221 1.00 0.00 C ATOM 771 C THR A 47 19.146 -0.512 -2.697 1.00 0.00 C ATOM 772 O THR A 47 20.115 0.086 -3.138 1.00 0.00 O ATOM 773 CB THR A 47 19.555 -1.366 -0.357 1.00 0.00 C ATOM 774 OG1 THR A 47 18.934 -1.430 0.942 1.00 0.00 O ATOM 775 CG2 THR A 47 20.983 -0.874 -0.194 1.00 0.00 C ATOM 0 H THR A 47 17.165 -1.641 -0.683 1.00 0.00 H new ATOM 0 HA THR A 47 18.929 0.626 -0.904 1.00 0.00 H new ATOM 0 HB THR A 47 19.581 -2.345 -0.835 1.00 0.00 H new ATOM 0 HG1 THR A 47 19.437 -2.045 1.515 1.00 0.00 H new ATOM 0 HG21 THR A 47 21.542 -1.577 0.423 1.00 0.00 H new ATOM 0 HG22 THR A 47 21.455 -0.796 -1.173 1.00 0.00 H new ATOM 0 HG23 THR A 47 20.978 0.105 0.286 1.00 0.00 H new ATOM 783 N LEU A 48 18.379 -1.254 -3.448 1.00 0.00 N ATOM 784 CA LEU A 48 18.663 -1.470 -4.849 1.00 0.00 C ATOM 785 C LEU A 48 18.108 -0.339 -5.714 1.00 0.00 C ATOM 786 O LEU A 48 18.778 0.154 -6.623 1.00 0.00 O ATOM 787 CB LEU A 48 18.099 -2.820 -5.291 1.00 0.00 C ATOM 788 CG LEU A 48 18.685 -4.051 -4.591 1.00 0.00 C ATOM 789 CD1 LEU A 48 18.054 -5.308 -5.130 1.00 0.00 C ATOM 790 CD2 LEU A 48 20.198 -4.110 -4.750 1.00 0.00 C ATOM 0 H LEU A 48 17.540 -1.727 -3.112 1.00 0.00 H new ATOM 0 HA LEU A 48 19.745 -1.477 -4.982 1.00 0.00 H new ATOM 0 HB2 LEU A 48 17.021 -2.812 -5.129 1.00 0.00 H new ATOM 0 HB3 LEU A 48 18.259 -2.925 -6.364 1.00 0.00 H new ATOM 0 HG LEU A 48 18.462 -3.970 -3.527 1.00 0.00 H new ATOM 0 HD11 LEU A 48 18.480 -6.175 -4.624 1.00 0.00 H new ATOM 0 HD12 LEU A 48 16.978 -5.278 -4.956 1.00 0.00 H new ATOM 0 HD13 LEU A 48 18.247 -5.382 -6.200 1.00 0.00 H new ATOM 0 HD21 LEU A 48 20.583 -4.994 -4.242 1.00 0.00 H new ATOM 0 HD22 LEU A 48 20.451 -4.161 -5.809 1.00 0.00 H new ATOM 0 HD23 LEU A 48 20.645 -3.217 -4.313 1.00 0.00 H new ATOM 802 N SER A 49 16.911 0.070 -5.430 1.00 0.00 N ATOM 803 CA SER A 49 16.270 1.101 -6.196 1.00 0.00 C ATOM 804 C SER A 49 16.068 2.336 -5.333 1.00 0.00 C ATOM 805 O SER A 49 16.687 3.377 -5.557 1.00 0.00 O ATOM 806 CB SER A 49 14.935 0.570 -6.727 1.00 0.00 C ATOM 807 OG SER A 49 14.256 1.508 -7.555 1.00 0.00 O ATOM 0 H SER A 49 16.349 -0.298 -4.663 1.00 0.00 H new ATOM 0 HA SER A 49 16.896 1.384 -7.042 1.00 0.00 H new ATOM 0 HB2 SER A 49 15.113 -0.345 -7.293 1.00 0.00 H new ATOM 0 HB3 SER A 49 14.295 0.305 -5.886 1.00 0.00 H new ATOM 0 HG SER A 49 14.097 1.111 -8.437 1.00 0.00 H new ATOM 813 N GLY A 50 15.241 2.204 -4.328 1.00 0.00 N ATOM 814 CA GLY A 50 14.951 3.306 -3.467 1.00 0.00 C ATOM 815 C GLY A 50 13.492 3.382 -3.186 1.00 0.00 C ATOM 816 O GLY A 50 12.994 2.743 -2.251 1.00 0.00 O ATOM 0 H GLY A 50 14.758 1.338 -4.091 1.00 0.00 H new ATOM 0 HA2 GLY A 50 15.502 3.199 -2.532 1.00 0.00 H new ATOM 0 HA3 GLY A 50 15.286 4.234 -3.930 1.00 0.00 H new ATOM 820 N ASN A 51 12.793 4.101 -4.007 1.00 0.00 N ATOM 821 CA ASN A 51 11.363 4.266 -3.854 1.00 0.00 C ATOM 822 C ASN A 51 10.611 3.453 -4.884 1.00 0.00 C ATOM 823 O ASN A 51 9.985 2.483 -4.542 1.00 0.00 O ATOM 824 CB ASN A 51 10.951 5.745 -3.956 1.00 0.00 C ATOM 825 CG ASN A 51 9.456 5.943 -3.925 1.00 0.00 C ATOM 826 OD1 ASN A 51 8.802 5.909 -4.961 1.00 0.00 O ATOM 827 ND2 ASN A 51 8.907 6.201 -2.788 1.00 0.00 N ATOM 0 H ASN A 51 13.189 4.595 -4.807 1.00 0.00 H new ATOM 0 HA ASN A 51 11.103 3.905 -2.859 1.00 0.00 H new ATOM 0 HB2 ASN A 51 11.403 6.300 -3.134 1.00 0.00 H new ATOM 0 HB3 ASN A 51 11.349 6.164 -4.880 1.00 0.00 H new ATOM 0 HD21 ASN A 51 7.905 6.383 -2.735 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.475 6.223 -1.941 1.00 0.00 H new ATOM 834 N ARG A 52 10.773 3.828 -6.145 1.00 0.00 N ATOM 835 CA ARG A 52 10.008 3.301 -7.301 1.00 0.00 C ATOM 836 C ARG A 52 9.783 1.776 -7.287 1.00 0.00 C ATOM 837 O ARG A 52 8.650 1.321 -7.115 1.00 0.00 O ATOM 838 CB ARG A 52 10.663 3.747 -8.615 1.00 0.00 C ATOM 839 CG ARG A 52 9.932 3.299 -9.872 1.00 0.00 C ATOM 840 CD ARG A 52 10.607 3.853 -11.110 1.00 0.00 C ATOM 841 NE ARG A 52 9.937 3.437 -12.347 1.00 0.00 N ATOM 842 CZ ARG A 52 9.926 4.151 -13.484 1.00 0.00 C ATOM 843 NH1 ARG A 52 10.554 5.331 -13.546 1.00 0.00 N ATOM 844 NH2 ARG A 52 9.301 3.677 -14.558 1.00 0.00 N ATOM 0 H ARG A 52 11.461 4.531 -6.416 1.00 0.00 H new ATOM 0 HA ARG A 52 9.010 3.731 -7.216 1.00 0.00 H new ATOM 0 HB2 ARG A 52 10.733 4.835 -8.620 1.00 0.00 H new ATOM 0 HB3 ARG A 52 11.682 3.362 -8.647 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.912 2.210 -9.919 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.896 3.635 -9.835 1.00 0.00 H new ATOM 0 HD2 ARG A 52 10.621 4.942 -11.056 1.00 0.00 H new ATOM 0 HD3 ARG A 52 11.645 3.522 -11.133 1.00 0.00 H new ATOM 0 HE ARG A 52 9.445 2.543 -12.343 1.00 0.00 H new ATOM 0 HH11 ARG A 52 11.044 5.692 -12.727 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.543 5.870 -14.412 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.831 2.773 -14.517 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.291 4.218 -15.423 1.00 0.00 H new ATOM 858 N ASP A 53 10.850 0.997 -7.432 1.00 0.00 N ATOM 859 CA ASP A 53 10.740 -0.456 -7.485 1.00 0.00 C ATOM 860 C ASP A 53 10.219 -1.023 -6.190 1.00 0.00 C ATOM 861 O ASP A 53 9.456 -1.997 -6.184 1.00 0.00 O ATOM 862 CB ASP A 53 12.085 -1.089 -7.787 1.00 0.00 C ATOM 863 CG ASP A 53 12.552 -0.921 -9.206 1.00 0.00 C ATOM 864 OD1 ASP A 53 12.204 -1.759 -10.058 1.00 0.00 O ATOM 865 OD2 ASP A 53 13.297 0.041 -9.491 1.00 0.00 O ATOM 0 H ASP A 53 11.804 1.349 -7.515 1.00 0.00 H new ATOM 0 HA ASP A 53 10.034 -0.688 -8.283 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.832 -0.659 -7.119 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.030 -2.154 -7.560 1.00 0.00 H new ATOM 870 N THR A 54 10.620 -0.409 -5.105 1.00 0.00 N ATOM 871 CA THR A 54 10.261 -0.842 -3.786 1.00 0.00 C ATOM 872 C THR A 54 8.756 -0.639 -3.560 1.00 0.00 C ATOM 873 O THR A 54 8.060 -1.537 -3.123 1.00 0.00 O ATOM 874 CB THR A 54 11.024 -0.004 -2.757 1.00 0.00 C ATOM 875 OG1 THR A 54 12.359 0.253 -3.241 1.00 0.00 O ATOM 876 CG2 THR A 54 11.114 -0.741 -1.434 1.00 0.00 C ATOM 0 H THR A 54 11.215 0.419 -5.118 1.00 0.00 H new ATOM 0 HA THR A 54 10.510 -1.898 -3.678 1.00 0.00 H new ATOM 0 HB THR A 54 10.490 0.935 -2.608 1.00 0.00 H new ATOM 0 HG1 THR A 54 12.718 1.052 -2.802 1.00 0.00 H new ATOM 0 HG21 THR A 54 11.660 -0.131 -0.714 1.00 0.00 H new ATOM 0 HG22 THR A 54 10.110 -0.936 -1.057 1.00 0.00 H new ATOM 0 HG23 THR A 54 11.637 -1.686 -1.579 1.00 0.00 H new ATOM 884 N LEU A 55 8.280 0.539 -3.916 1.00 0.00 N ATOM 885 CA LEU A 55 6.940 0.955 -3.738 1.00 0.00 C ATOM 886 C LEU A 55 6.013 0.121 -4.620 1.00 0.00 C ATOM 887 O LEU A 55 4.916 -0.252 -4.209 1.00 0.00 O ATOM 888 CB LEU A 55 6.854 2.415 -4.132 1.00 0.00 C ATOM 889 CG LEU A 55 5.594 3.109 -3.742 1.00 0.00 C ATOM 890 CD1 LEU A 55 5.568 3.454 -2.262 1.00 0.00 C ATOM 891 CD2 LEU A 55 5.322 4.304 -4.604 1.00 0.00 C ATOM 0 H LEU A 55 8.862 1.252 -4.357 1.00 0.00 H new ATOM 0 HA LEU A 55 6.634 0.822 -2.700 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.694 2.945 -3.684 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.970 2.490 -5.213 1.00 0.00 H new ATOM 0 HG LEU A 55 4.780 2.405 -3.914 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.632 3.958 -2.022 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.649 2.540 -1.674 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.405 4.112 -2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.394 4.779 -4.285 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.144 5.014 -4.512 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.229 3.989 -5.643 1.00 0.00 H new ATOM 903 N TRP A 56 6.474 -0.184 -5.823 1.00 0.00 N ATOM 904 CA TRP A 56 5.715 -1.010 -6.740 1.00 0.00 C ATOM 905 C TRP A 56 5.514 -2.407 -6.148 1.00 0.00 C ATOM 906 O TRP A 56 4.403 -2.947 -6.148 1.00 0.00 O ATOM 907 CB TRP A 56 6.408 -1.084 -8.107 1.00 0.00 C ATOM 908 CG TRP A 56 5.647 -1.885 -9.116 1.00 0.00 C ATOM 909 CD1 TRP A 56 6.004 -3.090 -9.649 1.00 0.00 C ATOM 910 CD2 TRP A 56 4.376 -1.551 -9.692 1.00 0.00 C ATOM 911 NE1 TRP A 56 5.045 -3.515 -10.530 1.00 0.00 N ATOM 912 CE2 TRP A 56 4.034 -2.591 -10.572 1.00 0.00 C ATOM 913 CE3 TRP A 56 3.499 -0.471 -9.552 1.00 0.00 C ATOM 914 CZ2 TRP A 56 2.855 -2.588 -11.306 1.00 0.00 C ATOM 915 CZ3 TRP A 56 2.329 -0.470 -10.280 1.00 0.00 C ATOM 916 CH2 TRP A 56 2.015 -1.522 -11.147 1.00 0.00 C ATOM 0 H TRP A 56 7.374 0.131 -6.185 1.00 0.00 H new ATOM 0 HA TRP A 56 4.735 -0.556 -6.889 1.00 0.00 H new ATOM 0 HB2 TRP A 56 6.551 -0.073 -8.489 1.00 0.00 H new ATOM 0 HB3 TRP A 56 7.399 -1.520 -7.981 1.00 0.00 H new ATOM 0 HD1 TRP A 56 6.909 -3.629 -9.411 1.00 0.00 H new ATOM 0 HE1 TRP A 56 5.078 -4.381 -11.068 1.00 0.00 H new ATOM 0 HE3 TRP A 56 3.734 0.346 -8.886 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 2.611 -3.398 -11.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 1.642 0.358 -10.179 1.00 0.00 H new ATOM 0 HH2 TRP A 56 1.089 -1.491 -11.702 1.00 0.00 H new ATOM 927 N HIS A 57 6.577 -2.964 -5.597 1.00 0.00 N ATOM 928 CA HIS A 57 6.504 -4.275 -4.971 1.00 0.00 C ATOM 929 C HIS A 57 5.754 -4.219 -3.655 1.00 0.00 C ATOM 930 O HIS A 57 5.171 -5.212 -3.229 1.00 0.00 O ATOM 931 CB HIS A 57 7.881 -4.923 -4.824 1.00 0.00 C ATOM 932 CG HIS A 57 8.430 -5.429 -6.125 1.00 0.00 C ATOM 933 ND1 HIS A 57 9.253 -4.708 -6.955 1.00 0.00 N ATOM 934 CD2 HIS A 57 8.243 -6.625 -6.733 1.00 0.00 C ATOM 935 CE1 HIS A 57 9.535 -5.466 -8.019 1.00 0.00 C ATOM 936 NE2 HIS A 57 8.944 -6.648 -7.932 1.00 0.00 N ATOM 0 H HIS A 57 7.500 -2.531 -5.569 1.00 0.00 H new ATOM 0 HA HIS A 57 5.933 -4.919 -5.640 1.00 0.00 H new ATOM 0 HB2 HIS A 57 8.575 -4.197 -4.400 1.00 0.00 H new ATOM 0 HB3 HIS A 57 7.814 -5.750 -4.117 1.00 0.00 H new ATOM 0 HD1 HIS A 57 9.590 -3.760 -6.789 1.00 0.00 H new ATOM 0 HD2 HIS A 57 7.642 -7.435 -6.346 1.00 0.00 H new ATOM 0 HE1 HIS A 57 10.162 -5.156 -8.842 1.00 0.00 H new ATOM 944 N LEU A 58 5.775 -3.057 -3.023 1.00 0.00 N ATOM 945 CA LEU A 58 4.996 -2.784 -1.828 1.00 0.00 C ATOM 946 C LEU A 58 3.531 -2.996 -2.163 1.00 0.00 C ATOM 947 O LEU A 58 2.911 -3.904 -1.661 1.00 0.00 O ATOM 948 CB LEU A 58 5.235 -1.333 -1.369 1.00 0.00 C ATOM 949 CG LEU A 58 4.420 -0.811 -0.174 1.00 0.00 C ATOM 950 CD1 LEU A 58 4.885 -1.418 1.136 1.00 0.00 C ATOM 951 CD2 LEU A 58 4.461 0.706 -0.116 1.00 0.00 C ATOM 0 H LEU A 58 6.342 -2.267 -3.330 1.00 0.00 H new ATOM 0 HA LEU A 58 5.293 -3.451 -1.019 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.292 -1.230 -1.123 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.040 -0.678 -2.218 1.00 0.00 H new ATOM 0 HG LEU A 58 3.386 -1.121 -0.323 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.283 -1.022 1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.774 -2.502 1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.933 -1.167 1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.878 1.053 0.737 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.494 1.038 -0.009 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.041 1.117 -1.034 1.00 0.00 H new ATOM 963 N PHE A 59 3.019 -2.211 -3.091 1.00 0.00 N ATOM 964 CA PHE A 59 1.620 -2.331 -3.499 1.00 0.00 C ATOM 965 C PHE A 59 1.294 -3.736 -4.020 1.00 0.00 C ATOM 966 O PHE A 59 0.230 -4.289 -3.718 1.00 0.00 O ATOM 967 CB PHE A 59 1.233 -1.260 -4.528 1.00 0.00 C ATOM 968 CG PHE A 59 1.200 0.134 -3.973 1.00 0.00 C ATOM 969 CD1 PHE A 59 0.235 0.491 -3.048 1.00 0.00 C ATOM 970 CD2 PHE A 59 2.116 1.089 -4.381 1.00 0.00 C ATOM 971 CE1 PHE A 59 0.185 1.769 -2.538 1.00 0.00 C ATOM 972 CE2 PHE A 59 2.071 2.371 -3.872 1.00 0.00 C ATOM 973 CZ PHE A 59 1.105 2.712 -2.949 1.00 0.00 C ATOM 0 H PHE A 59 3.543 -1.484 -3.579 1.00 0.00 H new ATOM 0 HA PHE A 59 1.019 -2.164 -2.605 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.941 -1.294 -5.356 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.252 -1.501 -4.937 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.488 -0.242 -2.722 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.874 0.828 -5.105 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.574 2.033 -1.817 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.792 3.107 -4.196 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.068 3.714 -2.549 1.00 0.00 H new ATOM 983 N ASN A 60 2.230 -4.324 -4.749 1.00 0.00 N ATOM 984 CA ASN A 60 2.057 -5.668 -5.310 1.00 0.00 C ATOM 985 C ASN A 60 1.913 -6.736 -4.211 1.00 0.00 C ATOM 986 O ASN A 60 1.146 -7.693 -4.360 1.00 0.00 O ATOM 987 CB ASN A 60 3.221 -6.031 -6.248 1.00 0.00 C ATOM 988 CG ASN A 60 3.045 -7.391 -6.923 1.00 0.00 C ATOM 989 OD1 ASN A 60 1.922 -7.840 -7.182 1.00 0.00 O ATOM 990 ND2 ASN A 60 4.142 -8.052 -7.214 1.00 0.00 N ATOM 0 H ASN A 60 3.127 -3.892 -4.971 1.00 0.00 H new ATOM 0 HA ASN A 60 1.132 -5.652 -5.886 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.316 -5.261 -7.014 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.151 -6.032 -5.680 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.083 -8.964 -7.667 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.053 -7.653 -6.987 1.00 0.00 H new ATOM 997 N THR A 61 2.627 -6.573 -3.119 1.00 0.00 N ATOM 998 CA THR A 61 2.554 -7.522 -2.028 1.00 0.00 C ATOM 999 C THR A 61 1.351 -7.226 -1.118 1.00 0.00 C ATOM 1000 O THR A 61 0.667 -8.151 -0.643 1.00 0.00 O ATOM 1001 CB THR A 61 3.880 -7.571 -1.216 1.00 0.00 C ATOM 1002 OG1 THR A 61 4.292 -6.246 -0.855 1.00 0.00 O ATOM 1003 CG2 THR A 61 4.983 -8.231 -2.021 1.00 0.00 C ATOM 0 H THR A 61 3.265 -5.793 -2.962 1.00 0.00 H new ATOM 0 HA THR A 61 2.409 -8.510 -2.464 1.00 0.00 H new ATOM 0 HB THR A 61 3.697 -8.157 -0.315 1.00 0.00 H new ATOM 0 HG1 THR A 61 4.747 -5.826 -1.615 1.00 0.00 H new ATOM 0 HG21 THR A 61 5.900 -8.253 -1.432 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.689 -9.250 -2.274 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.154 -7.665 -2.937 1.00 0.00 H new ATOM 1011 N LEU A 62 1.095 -5.937 -0.901 1.00 0.00 N ATOM 1012 CA LEU A 62 -0.032 -5.453 -0.110 1.00 0.00 C ATOM 1013 C LEU A 62 -1.362 -5.929 -0.643 1.00 0.00 C ATOM 1014 O LEU A 62 -2.164 -6.463 0.105 1.00 0.00 O ATOM 1015 CB LEU A 62 -0.034 -3.921 -0.056 1.00 0.00 C ATOM 1016 CG LEU A 62 0.728 -3.247 1.094 1.00 0.00 C ATOM 1017 CD1 LEU A 62 2.143 -3.734 1.202 1.00 0.00 C ATOM 1018 CD2 LEU A 62 0.711 -1.752 0.911 1.00 0.00 C ATOM 0 H LEU A 62 1.676 -5.188 -1.277 1.00 0.00 H new ATOM 0 HA LEU A 62 0.096 -5.864 0.892 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.380 -3.552 -0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.071 -3.588 -0.012 1.00 0.00 H new ATOM 0 HG LEU A 62 0.222 -3.513 2.022 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.640 -3.228 2.030 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.145 -4.809 1.381 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.674 -3.519 0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.253 -1.279 1.730 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.187 -1.496 -0.035 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.320 -1.398 0.906 1.00 0.00 H new ATOM 1030 N GLN A 63 -1.572 -5.783 -1.947 1.00 0.00 N ATOM 1031 CA GLN A 63 -2.862 -6.098 -2.587 1.00 0.00 C ATOM 1032 C GLN A 63 -3.332 -7.541 -2.362 1.00 0.00 C ATOM 1033 O GLN A 63 -4.500 -7.853 -2.583 1.00 0.00 O ATOM 1034 CB GLN A 63 -2.816 -5.847 -4.086 1.00 0.00 C ATOM 1035 CG GLN A 63 -1.836 -6.743 -4.814 1.00 0.00 C ATOM 1036 CD GLN A 63 -1.971 -6.673 -6.301 1.00 0.00 C ATOM 1037 OE1 GLN A 63 -3.053 -6.435 -6.827 1.00 0.00 O ATOM 1038 NE2 GLN A 63 -0.893 -6.891 -6.992 1.00 0.00 N ATOM 0 H GLN A 63 -0.861 -5.445 -2.595 1.00 0.00 H new ATOM 0 HA GLN A 63 -3.575 -5.429 -2.105 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.812 -5.996 -4.503 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.548 -4.806 -4.265 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.820 -6.464 -4.534 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.984 -7.773 -4.490 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -0.012 -7.085 -6.515 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.927 -6.868 -8.011 1.00 0.00 H new ATOM 1047 N ARG A 64 -2.431 -8.430 -1.982 1.00 0.00 N ATOM 1048 CA ARG A 64 -2.799 -9.819 -1.774 1.00 0.00 C ATOM 1049 C ARG A 64 -3.104 -10.094 -0.319 1.00 0.00 C ATOM 1050 O ARG A 64 -3.312 -11.231 0.084 1.00 0.00 O ATOM 1051 CB ARG A 64 -1.737 -10.775 -2.323 1.00 0.00 C ATOM 1052 CG ARG A 64 -1.479 -10.671 -3.842 1.00 0.00 C ATOM 1053 CD ARG A 64 -2.739 -10.927 -4.707 1.00 0.00 C ATOM 1054 NE ARG A 64 -3.744 -9.839 -4.618 1.00 0.00 N ATOM 1055 CZ ARG A 64 -4.769 -9.633 -5.467 1.00 0.00 C ATOM 1056 NH1 ARG A 64 -5.010 -10.489 -6.444 1.00 0.00 N ATOM 1057 NH2 ARG A 64 -5.561 -8.570 -5.299 1.00 0.00 N ATOM 0 H ARG A 64 -1.448 -8.218 -1.812 1.00 0.00 H new ATOM 0 HA ARG A 64 -3.713 -10.003 -2.339 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.800 -10.591 -1.798 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -2.037 -11.797 -2.091 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.089 -9.678 -4.068 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -0.706 -11.388 -4.120 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.438 -11.050 -5.747 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.200 -11.864 -4.396 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.650 -9.186 -3.841 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -4.418 -11.312 -6.559 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -5.788 -10.327 -7.084 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.387 -7.921 -4.532 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -6.339 -8.408 -5.938 1.00 0.00 H new ATOM 1071 N ARG A 65 -3.127 -9.054 0.463 1.00 0.00 N ATOM 1072 CA ARG A 65 -3.504 -9.148 1.846 1.00 0.00 C ATOM 1073 C ARG A 65 -4.825 -8.400 1.974 1.00 0.00 C ATOM 1074 O ARG A 65 -4.836 -7.174 2.082 1.00 0.00 O ATOM 1075 CB ARG A 65 -2.436 -8.496 2.740 1.00 0.00 C ATOM 1076 CG ARG A 65 -1.006 -8.921 2.416 1.00 0.00 C ATOM 1077 CD ARG A 65 -0.759 -10.407 2.635 1.00 0.00 C ATOM 1078 NE ARG A 65 -0.769 -10.766 4.056 1.00 0.00 N ATOM 1079 CZ ARG A 65 -0.489 -11.982 4.541 1.00 0.00 C ATOM 1080 NH1 ARG A 65 -0.238 -13.003 3.715 1.00 0.00 N ATOM 1081 NH2 ARG A 65 -0.475 -12.176 5.850 1.00 0.00 N ATOM 0 H ARG A 65 -2.884 -8.111 0.159 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.599 -10.187 2.161 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.511 -7.413 2.646 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.649 -8.742 3.780 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.786 -8.672 1.378 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.315 -8.349 3.035 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.523 -10.982 2.111 1.00 0.00 H new ATOM 0 HD3 ARG A 65 0.201 -10.682 2.199 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.007 -10.034 4.726 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -0.259 -12.859 2.705 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.026 -13.926 4.094 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.677 -11.402 6.483 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.262 -13.100 6.226 1.00 0.00 H new ATOM 1095 N PRO A 66 -5.962 -9.107 1.865 1.00 0.00 N ATOM 1096 CA PRO A 66 -7.286 -8.479 1.878 1.00 0.00 C ATOM 1097 C PRO A 66 -7.571 -7.757 3.194 1.00 0.00 C ATOM 1098 O PRO A 66 -7.921 -8.372 4.198 1.00 0.00 O ATOM 1099 CB PRO A 66 -8.254 -9.650 1.657 1.00 0.00 C ATOM 1100 CG PRO A 66 -7.406 -10.751 1.115 1.00 0.00 C ATOM 1101 CD PRO A 66 -6.062 -10.569 1.743 1.00 0.00 C ATOM 0 HA PRO A 66 -7.379 -7.706 1.116 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -8.737 -9.945 2.589 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -9.047 -9.381 0.959 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -7.825 -11.726 1.362 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -7.341 -10.697 0.028 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.997 -11.062 2.713 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.265 -10.980 1.123 1.00 0.00 H new ATOM 1109 N GLY A 67 -7.379 -6.462 3.178 1.00 0.00 N ATOM 1110 CA GLY A 67 -7.549 -5.665 4.364 1.00 0.00 C ATOM 1111 C GLY A 67 -6.368 -4.740 4.577 1.00 0.00 C ATOM 1112 O GLY A 67 -6.390 -3.894 5.476 1.00 0.00 O ATOM 0 H GLY A 67 -7.103 -5.935 2.349 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.464 -5.078 4.283 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.664 -6.317 5.230 1.00 0.00 H new ATOM 1116 N TRP A 68 -5.330 -4.890 3.713 1.00 0.00 N ATOM 1117 CA TRP A 68 -4.092 -4.080 3.762 1.00 0.00 C ATOM 1118 C TRP A 68 -4.374 -2.600 3.897 1.00 0.00 C ATOM 1119 O TRP A 68 -3.688 -1.907 4.629 1.00 0.00 O ATOM 1120 CB TRP A 68 -3.196 -4.302 2.504 1.00 0.00 C ATOM 1121 CG TRP A 68 -3.821 -3.917 1.158 1.00 0.00 C ATOM 1122 CD1 TRP A 68 -4.698 -4.650 0.404 1.00 0.00 C ATOM 1123 CD2 TRP A 68 -3.575 -2.714 0.408 1.00 0.00 C ATOM 1124 NE1 TRP A 68 -5.006 -3.976 -0.752 1.00 0.00 N ATOM 1125 CE2 TRP A 68 -4.330 -2.792 -0.774 1.00 0.00 C ATOM 1126 CE3 TRP A 68 -2.791 -1.583 0.626 1.00 0.00 C ATOM 1127 CZ2 TRP A 68 -4.319 -1.784 -1.734 1.00 0.00 C ATOM 1128 CZ3 TRP A 68 -2.783 -0.582 -0.326 1.00 0.00 C ATOM 1129 CH2 TRP A 68 -3.540 -0.690 -1.492 1.00 0.00 C ATOM 0 H TRP A 68 -5.332 -5.580 2.962 1.00 0.00 H new ATOM 0 HA TRP A 68 -3.561 -4.422 4.650 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -2.276 -3.731 2.632 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -2.915 -5.354 2.464 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -5.091 -5.618 0.679 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -5.640 -4.308 -1.479 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -2.199 -1.490 1.525 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -4.906 -1.865 -2.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -2.180 0.299 -0.164 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -3.509 0.109 -2.218 1.00 0.00 H new ATOM 1140 N VAL A 69 -5.425 -2.164 3.223 1.00 0.00 N ATOM 1141 CA VAL A 69 -5.813 -0.770 3.107 1.00 0.00 C ATOM 1142 C VAL A 69 -5.922 -0.080 4.468 1.00 0.00 C ATOM 1143 O VAL A 69 -5.369 0.996 4.660 1.00 0.00 O ATOM 1144 CB VAL A 69 -7.166 -0.639 2.368 1.00 0.00 C ATOM 1145 CG1 VAL A 69 -7.490 0.807 2.090 1.00 0.00 C ATOM 1146 CG2 VAL A 69 -7.179 -1.443 1.078 1.00 0.00 C ATOM 0 H VAL A 69 -6.053 -2.794 2.724 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.026 -0.277 2.536 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.935 -1.047 3.024 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.446 0.872 1.570 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.551 1.354 3.031 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.708 1.242 1.468 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.145 -1.327 0.587 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -6.390 -1.084 0.417 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.011 -2.496 1.304 1.00 0.00 H new ATOM 1156 N GLU A 70 -6.580 -0.734 5.416 1.00 0.00 N ATOM 1157 CA GLU A 70 -6.838 -0.165 6.716 1.00 0.00 C ATOM 1158 C GLU A 70 -5.542 0.100 7.470 1.00 0.00 C ATOM 1159 O GLU A 70 -5.339 1.190 8.024 1.00 0.00 O ATOM 1160 CB GLU A 70 -7.707 -1.107 7.508 1.00 0.00 C ATOM 1161 CG GLU A 70 -9.001 -1.486 6.816 1.00 0.00 C ATOM 1162 CD GLU A 70 -9.861 -2.360 7.680 1.00 0.00 C ATOM 1163 OE1 GLU A 70 -9.468 -3.501 7.969 1.00 0.00 O ATOM 1164 OE2 GLU A 70 -10.936 -1.922 8.099 1.00 0.00 O ATOM 0 H GLU A 70 -6.948 -1.678 5.296 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.349 0.788 6.581 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.142 -2.015 7.720 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.942 -0.647 8.468 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.550 -0.582 6.553 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.776 -2.005 5.884 1.00 0.00 H new ATOM 1171 N TYR A 71 -4.647 -0.876 7.438 1.00 0.00 N ATOM 1172 CA TYR A 71 -3.383 -0.775 8.113 1.00 0.00 C ATOM 1173 C TYR A 71 -2.470 0.163 7.349 1.00 0.00 C ATOM 1174 O TYR A 71 -1.584 0.786 7.925 1.00 0.00 O ATOM 1175 CB TYR A 71 -2.727 -2.146 8.205 1.00 0.00 C ATOM 1176 CG TYR A 71 -3.593 -3.219 8.823 1.00 0.00 C ATOM 1177 CD1 TYR A 71 -3.701 -3.351 10.201 1.00 0.00 C ATOM 1178 CD2 TYR A 71 -4.301 -4.102 8.025 1.00 0.00 C ATOM 1179 CE1 TYR A 71 -4.494 -4.336 10.762 1.00 0.00 C ATOM 1180 CE2 TYR A 71 -5.090 -5.086 8.574 1.00 0.00 C ATOM 1181 CZ TYR A 71 -5.184 -5.202 9.942 1.00 0.00 C ATOM 1182 OH TYR A 71 -5.975 -6.196 10.495 1.00 0.00 O ATOM 0 H TYR A 71 -4.786 -1.756 6.941 1.00 0.00 H new ATOM 0 HA TYR A 71 -3.552 -0.388 9.118 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -2.438 -2.464 7.203 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -1.810 -2.057 8.788 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -3.158 -2.675 10.844 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.232 -4.016 6.951 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -4.572 -4.426 11.835 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.634 -5.765 7.934 1.00 0.00 H new ATOM 0 HH TYR A 71 -6.393 -6.718 9.779 1.00 0.00 H new ATOM 1192 N PHE A 72 -2.708 0.263 6.049 1.00 0.00 N ATOM 1193 CA PHE A 72 -1.920 1.099 5.176 1.00 0.00 C ATOM 1194 C PHE A 72 -2.202 2.555 5.459 1.00 0.00 C ATOM 1195 O PHE A 72 -1.310 3.377 5.374 1.00 0.00 O ATOM 1196 CB PHE A 72 -2.152 0.731 3.701 1.00 0.00 C ATOM 1197 CG PHE A 72 -1.186 1.360 2.729 1.00 0.00 C ATOM 1198 CD1 PHE A 72 0.182 1.167 2.869 1.00 0.00 C ATOM 1199 CD2 PHE A 72 -1.640 2.130 1.679 1.00 0.00 C ATOM 1200 CE1 PHE A 72 1.072 1.731 1.979 1.00 0.00 C ATOM 1201 CE2 PHE A 72 -0.756 2.696 0.782 1.00 0.00 C ATOM 1202 CZ PHE A 72 0.603 2.496 0.932 1.00 0.00 C ATOM 0 H PHE A 72 -3.459 -0.239 5.575 1.00 0.00 H new ATOM 0 HA PHE A 72 -0.863 0.925 5.375 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -2.093 -0.353 3.599 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.165 1.023 3.424 1.00 0.00 H new ATOM 0 HD1 PHE A 72 0.554 0.567 3.686 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -2.701 2.292 1.557 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.133 1.574 2.102 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.127 3.295 -0.037 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.296 2.938 0.231 1.00 0.00 H new ATOM 1212 N ILE A 73 -3.433 2.863 5.861 1.00 0.00 N ATOM 1213 CA ILE A 73 -3.785 4.225 6.273 1.00 0.00 C ATOM 1214 C ILE A 73 -2.871 4.620 7.428 1.00 0.00 C ATOM 1215 O ILE A 73 -2.250 5.686 7.429 1.00 0.00 O ATOM 1216 CB ILE A 73 -5.261 4.332 6.776 1.00 0.00 C ATOM 1217 CG1 ILE A 73 -6.259 3.795 5.740 1.00 0.00 C ATOM 1218 CG2 ILE A 73 -5.601 5.777 7.142 1.00 0.00 C ATOM 1219 CD1 ILE A 73 -6.198 4.481 4.400 1.00 0.00 C ATOM 0 H ILE A 73 -4.201 2.194 5.911 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.671 4.878 5.407 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.346 3.711 7.668 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.077 2.730 5.597 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.268 3.896 6.140 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.633 5.831 7.490 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.933 6.119 7.933 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.480 6.413 6.265 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.936 4.039 3.731 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.411 5.543 4.525 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.202 4.359 3.974 1.00 0.00 H new ATOM 1231 N ALA A 74 -2.727 3.690 8.355 1.00 0.00 N ATOM 1232 CA ALA A 74 -1.924 3.877 9.536 1.00 0.00 C ATOM 1233 C ALA A 74 -0.425 3.819 9.216 1.00 0.00 C ATOM 1234 O ALA A 74 0.398 4.215 10.033 1.00 0.00 O ATOM 1235 CB ALA A 74 -2.296 2.848 10.592 1.00 0.00 C ATOM 0 H ALA A 74 -3.173 2.774 8.302 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.130 4.872 9.930 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.682 3.000 11.480 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.348 2.960 10.855 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.125 1.846 10.199 1.00 0.00 H new ATOM 1241 N ALA A 75 -0.085 3.340 8.033 1.00 0.00 N ATOM 1242 CA ALA A 75 1.298 3.261 7.602 1.00 0.00 C ATOM 1243 C ALA A 75 1.801 4.642 7.154 1.00 0.00 C ATOM 1244 O ALA A 75 2.833 5.119 7.645 1.00 0.00 O ATOM 1245 CB ALA A 75 1.489 2.188 6.520 1.00 0.00 C ATOM 0 H ALA A 75 -0.757 2.996 7.347 1.00 0.00 H new ATOM 0 HA ALA A 75 1.907 2.952 8.451 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.536 2.156 6.220 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.195 1.216 6.916 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.871 2.430 5.655 1.00 0.00 H new ATOM 1251 N LEU A 76 1.064 5.307 6.253 1.00 0.00 N ATOM 1252 CA LEU A 76 1.427 6.648 5.823 1.00 0.00 C ATOM 1253 C LEU A 76 1.255 7.634 6.961 1.00 0.00 C ATOM 1254 O LEU A 76 2.120 8.460 7.227 1.00 0.00 O ATOM 1255 CB LEU A 76 0.563 7.112 4.656 1.00 0.00 C ATOM 1256 CG LEU A 76 0.697 6.394 3.318 1.00 0.00 C ATOM 1257 CD1 LEU A 76 2.122 6.379 2.814 1.00 0.00 C ATOM 1258 CD2 LEU A 76 0.105 5.020 3.334 1.00 0.00 C ATOM 0 H LEU A 76 0.221 4.935 5.816 1.00 0.00 H new ATOM 0 HA LEU A 76 2.470 6.611 5.508 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.479 7.041 4.967 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.774 8.168 4.487 1.00 0.00 H new ATOM 0 HG LEU A 76 0.110 6.978 2.609 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.164 5.856 1.858 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.473 7.403 2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.758 5.867 3.536 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.230 4.558 2.355 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.610 4.415 4.087 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.957 5.084 3.572 1.00 0.00 H new ATOM 1270 N ARG A 77 0.148 7.517 7.653 1.00 0.00 N ATOM 1271 CA ARG A 77 -0.177 8.423 8.738 1.00 0.00 C ATOM 1272 C ARG A 77 0.785 8.210 9.910 1.00 0.00 C ATOM 1273 O ARG A 77 1.054 9.126 10.677 1.00 0.00 O ATOM 1274 CB ARG A 77 -1.610 8.182 9.164 1.00 0.00 C ATOM 1275 CG ARG A 77 -2.177 9.160 10.173 1.00 0.00 C ATOM 1276 CD ARG A 77 -3.557 8.708 10.589 1.00 0.00 C ATOM 1277 NE ARG A 77 -3.495 7.363 11.152 1.00 0.00 N ATOM 1278 CZ ARG A 77 -4.532 6.565 11.410 1.00 0.00 C ATOM 1279 NH1 ARG A 77 -5.763 6.907 11.042 1.00 0.00 N ATOM 1280 NH2 ARG A 77 -4.319 5.404 12.008 1.00 0.00 N ATOM 0 H ARG A 77 -0.553 6.796 7.484 1.00 0.00 H new ATOM 0 HA ARG A 77 -0.072 9.455 8.404 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.240 8.201 8.275 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -1.680 7.178 9.582 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.524 9.220 11.044 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -2.225 10.159 9.740 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -3.969 9.400 11.324 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.227 8.720 9.729 1.00 0.00 H new ATOM 0 HE ARG A 77 -2.568 6.998 11.369 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -5.923 7.789 10.556 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.547 6.287 11.246 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.371 5.129 12.266 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -5.103 4.784 12.211 1.00 0.00 H new ATOM 1294 N GLY A 78 1.321 7.003 10.003 1.00 0.00 N ATOM 1295 CA GLY A 78 2.269 6.664 11.042 1.00 0.00 C ATOM 1296 C GLY A 78 3.609 7.330 10.829 1.00 0.00 C ATOM 1297 O GLY A 78 4.349 7.555 11.770 1.00 0.00 O ATOM 0 H GLY A 78 1.110 6.238 9.362 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.867 6.962 12.010 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.403 5.583 11.071 1.00 0.00 H new ATOM 1301 N CYS A 79 3.917 7.653 9.591 1.00 0.00 N ATOM 1302 CA CYS A 79 5.156 8.327 9.263 1.00 0.00 C ATOM 1303 C CYS A 79 4.895 9.806 8.935 1.00 0.00 C ATOM 1304 O CYS A 79 5.634 10.431 8.182 1.00 0.00 O ATOM 1305 CB CYS A 79 5.892 7.590 8.118 1.00 0.00 C ATOM 1306 SG CYS A 79 4.882 7.199 6.669 1.00 0.00 S ATOM 0 H CYS A 79 3.320 7.457 8.788 1.00 0.00 H new ATOM 0 HA CYS A 79 5.814 8.302 10.132 1.00 0.00 H new ATOM 0 HB2 CYS A 79 6.735 8.203 7.797 1.00 0.00 H new ATOM 0 HB3 CYS A 79 6.305 6.662 8.513 1.00 0.00 H new ATOM 0 HG CYS A 79 3.982 6.318 6.992 1.00 0.00 H new ATOM 1312 N GLU A 80 3.842 10.363 9.564 1.00 0.00 N ATOM 1313 CA GLU A 80 3.433 11.772 9.423 1.00 0.00 C ATOM 1314 C GLU A 80 3.013 12.173 8.010 1.00 0.00 C ATOM 1315 O GLU A 80 2.839 13.356 7.722 1.00 0.00 O ATOM 1316 CB GLU A 80 4.490 12.737 9.981 1.00 0.00 C ATOM 1317 CG GLU A 80 4.547 12.825 11.506 1.00 0.00 C ATOM 1318 CD GLU A 80 4.835 11.527 12.213 1.00 0.00 C ATOM 1319 OE1 GLU A 80 6.018 11.205 12.430 1.00 0.00 O ATOM 1320 OE2 GLU A 80 3.879 10.824 12.602 1.00 0.00 O ATOM 0 H GLU A 80 3.241 9.835 10.196 1.00 0.00 H new ATOM 0 HA GLU A 80 2.532 11.857 10.031 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.469 12.431 9.613 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.297 13.733 9.582 1.00 0.00 H new ATOM 0 HG2 GLU A 80 5.313 13.549 11.784 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.595 13.214 11.867 1.00 0.00 H new ATOM 1327 N LEU A 81 2.798 11.216 7.151 1.00 0.00 N ATOM 1328 CA LEU A 81 2.359 11.510 5.816 1.00 0.00 C ATOM 1329 C LEU A 81 0.859 11.307 5.738 1.00 0.00 C ATOM 1330 O LEU A 81 0.355 10.320 5.191 1.00 0.00 O ATOM 1331 CB LEU A 81 3.126 10.681 4.779 1.00 0.00 C ATOM 1332 CG LEU A 81 4.653 10.885 4.784 1.00 0.00 C ATOM 1333 CD1 LEU A 81 5.328 9.979 3.779 1.00 0.00 C ATOM 1334 CD2 LEU A 81 5.006 12.340 4.498 1.00 0.00 C ATOM 0 H LEU A 81 2.920 10.224 7.352 1.00 0.00 H new ATOM 0 HA LEU A 81 2.576 12.551 5.577 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.915 9.626 4.951 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.745 10.925 3.787 1.00 0.00 H new ATOM 0 HG LEU A 81 5.017 10.626 5.778 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.405 10.145 3.805 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.115 8.939 4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.951 10.199 2.780 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.089 12.460 4.507 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.617 12.623 3.520 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.564 12.979 5.263 1.00 0.00 H new ATOM 1346 N VAL A 82 0.156 12.243 6.334 1.00 0.00 N ATOM 1347 CA VAL A 82 -1.285 12.191 6.477 1.00 0.00 C ATOM 1348 C VAL A 82 -1.960 12.336 5.122 1.00 0.00 C ATOM 1349 O VAL A 82 -2.987 11.722 4.868 1.00 0.00 O ATOM 1350 CB VAL A 82 -1.794 13.298 7.452 1.00 0.00 C ATOM 1351 CG1 VAL A 82 -3.298 13.195 7.682 1.00 0.00 C ATOM 1352 CG2 VAL A 82 -1.050 13.225 8.782 1.00 0.00 C ATOM 0 H VAL A 82 0.576 13.079 6.741 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.544 11.220 6.899 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.592 14.263 6.987 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.616 13.982 8.366 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.820 13.307 6.732 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.534 12.222 8.113 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -1.419 14.005 9.448 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.216 12.249 9.238 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.017 13.369 8.611 1.00 0.00 H new ATOM 1362 N ASP A 83 -1.341 13.100 4.241 1.00 0.00 N ATOM 1363 CA ASP A 83 -1.882 13.331 2.897 1.00 0.00 C ATOM 1364 C ASP A 83 -1.954 12.058 2.102 1.00 0.00 C ATOM 1365 O ASP A 83 -2.935 11.799 1.424 1.00 0.00 O ATOM 1366 CB ASP A 83 -1.094 14.386 2.121 1.00 0.00 C ATOM 1367 CG ASP A 83 -1.253 15.764 2.689 1.00 0.00 C ATOM 1368 OD1 ASP A 83 -2.243 16.451 2.346 1.00 0.00 O ATOM 1369 OD2 ASP A 83 -0.410 16.177 3.487 1.00 0.00 O ATOM 0 H ASP A 83 -0.458 13.577 4.425 1.00 0.00 H new ATOM 0 HA ASP A 83 -2.893 13.711 3.043 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -0.038 14.117 2.122 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -1.422 14.386 1.082 1.00 0.00 H new ATOM 1374 N LEU A 84 -0.934 11.243 2.214 1.00 0.00 N ATOM 1375 CA LEU A 84 -0.914 9.983 1.507 1.00 0.00 C ATOM 1376 C LEU A 84 -1.886 8.993 2.137 1.00 0.00 C ATOM 1377 O LEU A 84 -2.447 8.141 1.453 1.00 0.00 O ATOM 1378 CB LEU A 84 0.501 9.425 1.412 1.00 0.00 C ATOM 1379 CG LEU A 84 1.475 10.231 0.544 1.00 0.00 C ATOM 1380 CD1 LEU A 84 2.859 9.638 0.616 1.00 0.00 C ATOM 1381 CD2 LEU A 84 1.003 10.257 -0.903 1.00 0.00 C ATOM 0 H LEU A 84 -0.109 11.427 2.785 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.250 10.158 0.485 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.913 9.355 2.419 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.446 8.410 1.018 1.00 0.00 H new ATOM 0 HG LEU A 84 1.506 11.252 0.925 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.538 10.222 -0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.208 9.654 1.648 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.833 8.609 0.257 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.706 10.833 -1.505 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.948 9.238 -1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.017 10.718 -0.956 1.00 0.00 H new ATOM 1393 N ALA A 85 -2.109 9.134 3.439 1.00 0.00 N ATOM 1394 CA ALA A 85 -3.104 8.328 4.124 1.00 0.00 C ATOM 1395 C ALA A 85 -4.492 8.732 3.621 1.00 0.00 C ATOM 1396 O ALA A 85 -5.324 7.881 3.323 1.00 0.00 O ATOM 1397 CB ALA A 85 -3.001 8.499 5.647 1.00 0.00 C ATOM 0 H ALA A 85 -1.615 9.797 4.036 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.929 7.274 3.907 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.758 7.884 6.134 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.011 8.189 5.982 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.161 9.545 5.907 1.00 0.00 H new ATOM 1403 N ASP A 86 -4.695 10.050 3.480 1.00 0.00 N ATOM 1404 CA ASP A 86 -5.951 10.639 2.975 1.00 0.00 C ATOM 1405 C ASP A 86 -6.278 10.129 1.587 1.00 0.00 C ATOM 1406 O ASP A 86 -7.432 9.827 1.290 1.00 0.00 O ATOM 1407 CB ASP A 86 -5.876 12.173 2.951 1.00 0.00 C ATOM 1408 CG ASP A 86 -7.132 12.826 2.378 1.00 0.00 C ATOM 1409 OD1 ASP A 86 -8.175 12.856 3.069 1.00 0.00 O ATOM 1410 OD2 ASP A 86 -7.100 13.320 1.222 1.00 0.00 O ATOM 0 H ASP A 86 -3.988 10.746 3.715 1.00 0.00 H new ATOM 0 HA ASP A 86 -6.743 10.334 3.659 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -5.714 12.539 3.965 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.013 12.479 2.360 1.00 0.00 H new ATOM 1415 N GLU A 87 -5.260 10.031 0.744 1.00 0.00 N ATOM 1416 CA GLU A 87 -5.394 9.518 -0.589 1.00 0.00 C ATOM 1417 C GLU A 87 -6.033 8.136 -0.588 1.00 0.00 C ATOM 1418 O GLU A 87 -7.060 7.917 -1.242 1.00 0.00 O ATOM 1419 CB GLU A 87 -4.029 9.469 -1.247 1.00 0.00 C ATOM 1420 CG GLU A 87 -3.439 10.826 -1.572 1.00 0.00 C ATOM 1421 CD GLU A 87 -4.277 11.598 -2.563 1.00 0.00 C ATOM 1422 OE1 GLU A 87 -4.072 11.440 -3.791 1.00 0.00 O ATOM 1423 OE2 GLU A 87 -5.151 12.373 -2.143 1.00 0.00 O ATOM 0 H GLU A 87 -4.309 10.313 0.982 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.048 10.182 -1.154 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.342 8.936 -0.590 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.104 8.890 -2.167 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.342 11.406 -0.654 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -2.435 10.695 -1.974 1.00 0.00 H new ATOM 1430 N VAL A 88 -5.468 7.237 0.190 1.00 0.00 N ATOM 1431 CA VAL A 88 -5.960 5.872 0.262 1.00 0.00 C ATOM 1432 C VAL A 88 -7.313 5.833 0.985 1.00 0.00 C ATOM 1433 O VAL A 88 -8.237 5.124 0.566 1.00 0.00 O ATOM 1434 CB VAL A 88 -4.956 4.936 0.987 1.00 0.00 C ATOM 1435 CG1 VAL A 88 -5.406 3.488 0.909 1.00 0.00 C ATOM 1436 CG2 VAL A 88 -3.563 5.089 0.415 1.00 0.00 C ATOM 0 H VAL A 88 -4.662 7.426 0.786 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.079 5.514 -0.761 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.929 5.228 2.037 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.684 2.854 1.425 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.383 3.385 1.382 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.474 3.184 -0.136 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.879 4.423 0.940 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.575 4.835 -0.645 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.231 6.120 0.537 1.00 0.00 H new ATOM 1446 N ALA A 89 -7.436 6.637 2.036 1.00 0.00 N ATOM 1447 CA ALA A 89 -8.655 6.710 2.838 1.00 0.00 C ATOM 1448 C ALA A 89 -9.843 7.123 1.999 1.00 0.00 C ATOM 1449 O ALA A 89 -10.922 6.600 2.165 1.00 0.00 O ATOM 1450 CB ALA A 89 -8.483 7.665 4.014 1.00 0.00 C ATOM 0 H ALA A 89 -6.693 7.258 2.357 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.845 5.711 3.229 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -9.406 7.699 4.593 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -7.669 7.317 4.649 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.251 8.663 3.642 1.00 0.00 H new ATOM 1456 N SER A 90 -9.622 8.024 1.064 1.00 0.00 N ATOM 1457 CA SER A 90 -10.680 8.502 0.198 1.00 0.00 C ATOM 1458 C SER A 90 -11.128 7.423 -0.805 1.00 0.00 C ATOM 1459 O SER A 90 -12.240 7.472 -1.330 1.00 0.00 O ATOM 1460 CB SER A 90 -10.222 9.763 -0.514 1.00 0.00 C ATOM 1461 OG SER A 90 -9.791 10.728 0.438 1.00 0.00 O ATOM 0 H SER A 90 -8.710 8.443 0.884 1.00 0.00 H new ATOM 0 HA SER A 90 -11.550 8.737 0.811 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.408 9.528 -1.200 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.037 10.169 -1.113 1.00 0.00 H new ATOM 0 HG SER A 90 -8.936 10.446 0.825 1.00 0.00 H new ATOM 1467 N VAL A 91 -10.269 6.449 -1.048 1.00 0.00 N ATOM 1468 CA VAL A 91 -10.593 5.339 -1.937 1.00 0.00 C ATOM 1469 C VAL A 91 -11.470 4.361 -1.174 1.00 0.00 C ATOM 1470 O VAL A 91 -12.584 4.020 -1.590 1.00 0.00 O ATOM 1471 CB VAL A 91 -9.307 4.601 -2.403 1.00 0.00 C ATOM 1472 CG1 VAL A 91 -9.627 3.452 -3.340 1.00 0.00 C ATOM 1473 CG2 VAL A 91 -8.340 5.560 -3.056 1.00 0.00 C ATOM 0 H VAL A 91 -9.335 6.401 -0.641 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.105 5.727 -2.818 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.835 4.183 -1.514 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.702 2.961 -3.643 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.268 2.734 -2.829 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -10.141 3.834 -4.222 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -7.449 5.018 -3.373 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -8.813 6.019 -3.924 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.059 6.335 -2.343 1.00 0.00 H new ATOM 1483 N TYR A 92 -10.992 4.003 -0.009 1.00 0.00 N ATOM 1484 CA TYR A 92 -11.638 3.039 0.862 1.00 0.00 C ATOM 1485 C TYR A 92 -12.866 3.666 1.552 1.00 0.00 C ATOM 1486 O TYR A 92 -13.608 3.008 2.262 1.00 0.00 O ATOM 1487 CB TYR A 92 -10.603 2.552 1.872 1.00 0.00 C ATOM 1488 CG TYR A 92 -11.023 1.379 2.730 1.00 0.00 C ATOM 1489 CD1 TYR A 92 -11.090 0.088 2.207 1.00 0.00 C ATOM 1490 CD2 TYR A 92 -11.324 1.559 4.059 1.00 0.00 C ATOM 1491 CE1 TYR A 92 -11.454 -0.984 3.001 1.00 0.00 C ATOM 1492 CE2 TYR A 92 -11.688 0.505 4.854 1.00 0.00 C ATOM 1493 CZ TYR A 92 -11.757 -0.760 4.328 1.00 0.00 C ATOM 1494 OH TYR A 92 -12.119 -1.804 5.143 1.00 0.00 O ATOM 0 H TYR A 92 -10.124 4.379 0.374 1.00 0.00 H new ATOM 0 HA TYR A 92 -12.007 2.190 0.287 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -9.697 2.277 1.332 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -10.343 3.383 2.528 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.854 -0.077 1.166 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -11.272 2.550 4.484 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.500 -1.981 2.589 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -11.921 0.670 5.896 1.00 0.00 H new ATOM 0 HH TYR A 92 -11.827 -1.620 6.060 1.00 0.00 H new ATOM 1504 N GLN A 93 -13.048 4.954 1.358 1.00 0.00 N ATOM 1505 CA GLN A 93 -14.225 5.635 1.846 1.00 0.00 C ATOM 1506 C GLN A 93 -15.389 5.310 0.905 1.00 0.00 C ATOM 1507 O GLN A 93 -16.551 5.392 1.274 1.00 0.00 O ATOM 1508 CB GLN A 93 -14.005 7.156 1.884 1.00 0.00 C ATOM 1509 CG GLN A 93 -15.053 7.912 2.689 1.00 0.00 C ATOM 1510 CD GLN A 93 -14.955 7.618 4.178 1.00 0.00 C ATOM 1511 OE1 GLN A 93 -15.557 6.680 4.687 1.00 0.00 O ATOM 1512 NE2 GLN A 93 -14.223 8.428 4.886 1.00 0.00 N ATOM 0 H GLN A 93 -12.389 5.554 0.861 1.00 0.00 H new ATOM 0 HA GLN A 93 -14.441 5.300 2.861 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -13.021 7.360 2.305 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -14.000 7.538 0.863 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -14.934 8.983 2.523 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -16.047 7.643 2.332 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -13.734 9.200 4.434 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -14.139 8.291 5.893 1.00 0.00 H new ATOM 1521 N SER A 94 -15.056 4.933 -0.309 1.00 0.00 N ATOM 1522 CA SER A 94 -16.049 4.608 -1.287 1.00 0.00 C ATOM 1523 C SER A 94 -16.161 3.088 -1.418 1.00 0.00 C ATOM 1524 O SER A 94 -17.257 2.529 -1.373 1.00 0.00 O ATOM 1525 CB SER A 94 -15.700 5.265 -2.634 1.00 0.00 C ATOM 1526 OG SER A 94 -16.742 5.102 -3.596 1.00 0.00 O ATOM 0 H SER A 94 -14.094 4.846 -0.637 1.00 0.00 H new ATOM 0 HA SER A 94 -17.017 4.996 -0.970 1.00 0.00 H new ATOM 0 HB2 SER A 94 -15.511 6.328 -2.481 1.00 0.00 H new ATOM 0 HB3 SER A 94 -14.778 4.830 -3.021 1.00 0.00 H new ATOM 0 HG SER A 94 -16.482 5.534 -4.436 1.00 0.00 H new ATOM 1532 N TYR A 95 -15.030 2.421 -1.548 1.00 0.00 N ATOM 1533 CA TYR A 95 -15.005 0.979 -1.677 1.00 0.00 C ATOM 1534 C TYR A 95 -14.988 0.329 -0.303 1.00 0.00 C ATOM 1535 O TYR A 95 -13.939 0.203 0.312 1.00 0.00 O ATOM 1536 CB TYR A 95 -13.807 0.522 -2.521 1.00 0.00 C ATOM 1537 CG TYR A 95 -13.744 1.127 -3.907 1.00 0.00 C ATOM 1538 CD1 TYR A 95 -14.549 0.654 -4.933 1.00 0.00 C ATOM 1539 CD2 TYR A 95 -12.870 2.160 -4.189 1.00 0.00 C ATOM 1540 CE1 TYR A 95 -14.481 1.202 -6.200 1.00 0.00 C ATOM 1541 CE2 TYR A 95 -12.793 2.708 -5.447 1.00 0.00 C ATOM 1542 CZ TYR A 95 -13.598 2.227 -6.449 1.00 0.00 C ATOM 1543 OH TYR A 95 -13.514 2.771 -7.712 1.00 0.00 O ATOM 0 H TYR A 95 -14.110 2.861 -1.567 1.00 0.00 H new ATOM 0 HA TYR A 95 -15.910 0.663 -2.195 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -12.889 0.770 -1.989 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -13.838 -0.564 -2.614 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -15.239 -0.154 -4.739 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -12.235 2.544 -3.405 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -15.117 0.828 -6.989 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.102 3.514 -5.646 1.00 0.00 H new ATOM 0 HH TYR A 95 -12.843 3.485 -7.717 1.00 0.00 H new ATOM 1553 N GLN A 96 -16.185 -0.038 0.163 1.00 0.00 N ATOM 1554 CA GLN A 96 -16.427 -0.666 1.476 1.00 0.00 C ATOM 1555 C GLN A 96 -15.818 0.124 2.644 1.00 0.00 C ATOM 1556 O GLN A 96 -14.828 -0.304 3.239 1.00 0.00 O ATOM 1557 CB GLN A 96 -15.969 -2.130 1.527 1.00 0.00 C ATOM 1558 CG GLN A 96 -16.689 -3.052 0.564 1.00 0.00 C ATOM 1559 CD GLN A 96 -16.272 -4.498 0.745 1.00 0.00 C ATOM 1560 OE1 GLN A 96 -15.246 -4.916 0.050 1.00 0.00 O flip ATOM 1561 NE2 GLN A 96 -16.862 -5.228 1.522 1.00 0.00 N flip ATOM 0 H GLN A 96 -17.041 0.095 -0.375 1.00 0.00 H new ATOM 0 HA GLN A 96 -17.510 -0.648 1.597 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -14.900 -2.170 1.317 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -16.108 -2.505 2.541 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -17.765 -2.963 0.713 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -16.482 -2.740 -0.460 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -17.659 -4.873 2.050 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -16.559 -6.194 1.644 1.00 0.00 H new ATOM 1570 N PRO A 97 -16.396 1.283 2.994 1.00 0.00 N ATOM 1571 CA PRO A 97 -15.855 2.117 4.068 1.00 0.00 C ATOM 1572 C PRO A 97 -16.131 1.540 5.449 1.00 0.00 C ATOM 1573 O PRO A 97 -15.251 1.464 6.308 1.00 0.00 O ATOM 1574 CB PRO A 97 -16.609 3.442 3.895 1.00 0.00 C ATOM 1575 CG PRO A 97 -17.906 3.061 3.261 1.00 0.00 C ATOM 1576 CD PRO A 97 -17.597 1.891 2.363 1.00 0.00 C ATOM 0 HA PRO A 97 -14.770 2.206 4.005 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -16.767 3.936 4.854 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -16.050 4.136 3.267 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -18.645 2.790 4.015 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -18.322 3.892 2.691 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -18.428 1.187 2.319 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -17.396 2.211 1.341 1.00 0.00 H new ATOM 1584 N ARG A 98 -17.351 1.115 5.625 1.00 0.00 N ATOM 1585 CA ARG A 98 -17.867 0.645 6.864 1.00 0.00 C ATOM 1586 C ARG A 98 -19.119 -0.145 6.571 1.00 0.00 C ATOM 1587 O ARG A 98 -20.132 0.403 6.120 1.00 0.00 O ATOM 1588 CB ARG A 98 -18.127 1.842 7.814 1.00 0.00 C ATOM 1589 CG ARG A 98 -18.924 2.994 7.195 1.00 0.00 C ATOM 1590 CD ARG A 98 -18.940 4.213 8.104 1.00 0.00 C ATOM 1591 NE ARG A 98 -17.576 4.643 8.445 1.00 0.00 N ATOM 1592 CZ ARG A 98 -16.833 5.511 7.744 1.00 0.00 C ATOM 1593 NH1 ARG A 98 -17.342 6.131 6.688 1.00 0.00 N ATOM 1594 NH2 ARG A 98 -15.590 5.771 8.123 1.00 0.00 N ATOM 0 H ARG A 98 -18.037 1.089 4.870 1.00 0.00 H new ATOM 0 HA ARG A 98 -17.155 -0.005 7.372 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -18.661 1.481 8.693 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -17.168 2.227 8.160 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -18.489 3.263 6.232 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -19.946 2.669 7.003 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -19.469 5.029 7.612 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -19.490 3.982 9.016 1.00 0.00 H new ATOM 0 HE ARG A 98 -17.159 4.247 9.287 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -18.305 5.949 6.405 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -16.771 6.790 6.159 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -15.201 5.311 8.946 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -15.022 6.431 7.592 1.00 0.00 H new ATOM 1608 N THR A 99 -19.031 -1.425 6.738 1.00 0.00 N ATOM 1609 CA THR A 99 -20.132 -2.281 6.445 1.00 0.00 C ATOM 1610 C THR A 99 -20.316 -3.286 7.568 1.00 0.00 C ATOM 1611 O THR A 99 -19.742 -4.374 7.560 1.00 0.00 O ATOM 1612 CB THR A 99 -19.947 -3.000 5.085 1.00 0.00 C ATOM 1613 OG1 THR A 99 -19.600 -2.019 4.082 1.00 0.00 O ATOM 1614 CG2 THR A 99 -21.243 -3.683 4.660 1.00 0.00 C ATOM 0 H THR A 99 -18.198 -1.904 7.080 1.00 0.00 H new ATOM 0 HA THR A 99 -21.030 -1.669 6.366 1.00 0.00 H new ATOM 0 HB THR A 99 -19.162 -3.749 5.187 1.00 0.00 H new ATOM 0 HG1 THR A 99 -19.479 -2.464 3.217 1.00 0.00 H new ATOM 0 HG21 THR A 99 -21.094 -4.183 3.703 1.00 0.00 H new ATOM 0 HG22 THR A 99 -21.531 -4.418 5.412 1.00 0.00 H new ATOM 0 HG23 THR A 99 -22.032 -2.937 4.561 1.00 0.00 H new ATOM 1622 N SER A 100 -21.014 -2.850 8.568 1.00 0.00 N ATOM 1623 CA SER A 100 -21.368 -3.638 9.691 1.00 0.00 C ATOM 1624 C SER A 100 -22.556 -2.934 10.304 1.00 0.00 C ATOM 1625 O SER A 100 -22.371 -1.859 10.896 1.00 0.00 O ATOM 1626 CB SER A 100 -20.191 -3.768 10.694 1.00 0.00 C ATOM 1627 OG SER A 100 -20.483 -4.697 11.747 1.00 0.00 O ATOM 1628 OXT SER A 100 -23.701 -3.407 10.105 1.00 0.00 O ATOM 0 H SER A 100 -21.365 -1.894 8.620 1.00 0.00 H new ATOM 0 HA SER A 100 -21.610 -4.662 9.408 1.00 0.00 H new ATOM 0 HB2 SER A 100 -19.296 -4.092 10.163 1.00 0.00 H new ATOM 0 HB3 SER A 100 -19.971 -2.791 11.123 1.00 0.00 H new ATOM 0 HG SER A 100 -19.717 -4.752 12.356 1.00 0.00 H new TER 1634 SER A 100