USER MOD reduce.3.24.130724 H: found=0, std=0, add=1099, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1099 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 54 THR OG1 : rot 180:sc= -1.88 USER MOD Set 1.2: A 95 HIS : no HD1:sc= -4.28 K(o=-6.2,f=-9.4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -153:sc= -0.17 (180deg=-0.947) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot -16:sc= 0.433 USER MOD Single : A 20 HIS : no HD1:sc= -2.09 K(o=-2.1,f=-4.3!) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 MET CE :methyl -133:sc= -0.989 (180deg=-1.65) USER MOD Single : A 37 MET CE :methyl 144:sc= -0.103 (180deg=-0.187) USER MOD Single : A 38 THR OG1 : rot 117:sc= -0.421 USER MOD Single : A 40 THR OG1 : rot 177:sc= -0.684 USER MOD Single : A 41 SER OG : rot 61:sc= 0.305 USER MOD Single : A 55 SER OG : rot -50:sc= -4.05! USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -3.33! K(o=-3.3!,f=-2.5) USER MOD Single : A 75 THR OG1 : rot 74:sc= 1.16 USER MOD Single : A 81 SER OG : rot -93:sc= 0.19 USER MOD Single : A 82 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0264) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -133:sc= -0.212 (180deg=-0.649) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= -1.1! USER MOD Single : A 99 THR OG1 : rot -150:sc= -0.763 USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ -163:sc= -0.026 (180deg=-0.226) USER MOD Single : A 109 HIS : no HD1:sc= -1.45 K(o=-1.4,f=-0.42) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HE2:sc= -1.85 K(o=-1.9,f=-3.4!) USER MOD Single : A 122 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl 149:sc= -2.39 (180deg=-3.7!) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.309 -2.359 16.623 1.00 0.00 N ATOM 2 CA MET A 1 -5.550 -1.060 15.945 1.00 0.00 C ATOM 3 C MET A 1 -4.235 -0.373 15.588 1.00 0.00 C ATOM 4 O MET A 1 -3.738 0.465 16.340 1.00 0.00 O ATOM 5 CB MET A 1 -6.374 -0.169 16.877 1.00 0.00 C ATOM 6 CG MET A 1 -7.735 -0.749 17.227 1.00 0.00 C ATOM 7 SD MET A 1 -8.460 0.015 18.691 1.00 0.00 S ATOM 8 CE MET A 1 -9.744 -1.168 19.089 1.00 0.00 C ATOM 0 H1 MET A 1 -6.114 -2.995 16.452 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.441 -2.791 16.247 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.203 -2.202 17.646 1.00 0.00 H new ATOM 0 HA MET A 1 -6.092 -1.236 15.016 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.812 -0.001 17.796 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.513 0.804 16.406 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.410 -0.618 16.381 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.637 -1.822 17.393 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.284 -0.835 19.975 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.437 -1.249 18.251 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.294 -2.142 19.283 1.00 0.00 H new ATOM 20 N LYS A 2 -3.678 -0.734 14.437 1.00 0.00 N ATOM 21 CA LYS A 2 -2.421 -0.151 13.981 1.00 0.00 C ATOM 22 C LYS A 2 -2.674 0.984 12.993 1.00 0.00 C ATOM 23 O LYS A 2 -1.929 1.158 12.029 1.00 0.00 O ATOM 24 CB LYS A 2 -1.544 -1.224 13.331 1.00 0.00 C ATOM 25 CG LYS A 2 -0.076 -0.842 13.250 1.00 0.00 C ATOM 26 CD LYS A 2 0.824 -2.062 13.368 1.00 0.00 C ATOM 27 CE LYS A 2 2.191 -1.694 13.922 1.00 0.00 C ATOM 28 NZ LYS A 2 2.983 -0.885 12.954 1.00 0.00 N ATOM 0 H LYS A 2 -4.076 -1.427 13.803 1.00 0.00 H new ATOM 0 HA LYS A 2 -1.902 0.257 14.848 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -1.639 -2.151 13.897 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -1.915 -1.425 12.326 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.118 -0.336 12.304 1.00 0.00 H new ATOM 0 HG3 LYS A 2 0.162 -0.135 14.045 1.00 0.00 H new ATOM 0 HD2 LYS A 2 0.354 -2.801 14.017 1.00 0.00 H new ATOM 0 HD3 LYS A 2 0.940 -2.526 12.389 1.00 0.00 H new ATOM 0 HE2 LYS A 2 2.068 -1.133 14.849 1.00 0.00 H new ATOM 0 HE3 LYS A 2 2.739 -2.603 14.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 3.908 -0.655 13.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 3.122 -1.429 12.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 2.472 -0.005 12.737 1.00 0.00 H new ATOM 42 N GLY A 3 -3.727 1.755 13.242 1.00 0.00 N ATOM 43 CA GLY A 3 -4.059 2.864 12.366 1.00 0.00 C ATOM 44 C GLY A 3 -4.806 2.425 11.121 1.00 0.00 C ATOM 45 O GLY A 3 -4.850 3.153 10.130 1.00 0.00 O ATOM 0 H GLY A 3 -4.357 1.632 14.035 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -4.666 3.585 12.914 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -3.143 3.377 12.073 1.00 0.00 H new ATOM 49 N PHE A 4 -5.397 1.234 11.171 1.00 0.00 N ATOM 50 CA PHE A 4 -6.146 0.707 10.037 1.00 0.00 C ATOM 51 C PHE A 4 -7.398 -0.039 10.512 1.00 0.00 C ATOM 52 O PHE A 4 -7.356 -0.757 11.512 1.00 0.00 O ATOM 53 CB PHE A 4 -5.245 -0.202 9.192 1.00 0.00 C ATOM 54 CG PHE A 4 -5.344 -1.666 9.527 1.00 0.00 C ATOM 55 CD1 PHE A 4 -4.783 -2.162 10.693 1.00 0.00 C ATOM 56 CD2 PHE A 4 -5.998 -2.544 8.677 1.00 0.00 C ATOM 57 CE1 PHE A 4 -4.871 -3.505 11.005 1.00 0.00 C ATOM 58 CE2 PHE A 4 -6.090 -3.888 8.983 1.00 0.00 C ATOM 59 CZ PHE A 4 -5.525 -4.370 10.149 1.00 0.00 C ATOM 0 H PHE A 4 -5.371 0.618 11.983 1.00 0.00 H new ATOM 0 HA PHE A 4 -6.476 1.539 9.415 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.497 -0.065 8.140 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.210 0.117 9.316 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -4.271 -1.490 11.366 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -6.441 -2.173 7.765 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -4.429 -3.878 11.917 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.603 -4.561 8.312 1.00 0.00 H new ATOM 0 HZ PHE A 4 -5.595 -5.420 10.390 1.00 0.00 H new ATOM 69 N GLU A 5 -8.510 0.137 9.798 1.00 0.00 N ATOM 70 CA GLU A 5 -9.764 -0.521 10.167 1.00 0.00 C ATOM 71 C GLU A 5 -10.603 -0.863 8.935 1.00 0.00 C ATOM 72 O GLU A 5 -10.797 -0.030 8.053 1.00 0.00 O ATOM 73 CB GLU A 5 -10.571 0.373 11.111 1.00 0.00 C ATOM 74 CG GLU A 5 -10.726 1.801 10.614 1.00 0.00 C ATOM 75 CD GLU A 5 -10.773 2.809 11.746 1.00 0.00 C ATOM 76 OE1 GLU A 5 -10.083 2.593 12.763 1.00 0.00 O ATOM 77 OE2 GLU A 5 -11.502 3.816 11.613 1.00 0.00 O ATOM 0 H GLU A 5 -8.569 0.725 8.967 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.512 -1.453 10.674 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.560 -0.063 11.253 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -10.086 0.388 12.087 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.896 2.043 9.951 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -11.639 1.880 10.024 1.00 0.00 H new ATOM 84 N PHE A 6 -11.107 -2.092 8.889 1.00 0.00 N ATOM 85 CA PHE A 6 -11.932 -2.548 7.772 1.00 0.00 C ATOM 86 C PHE A 6 -13.420 -2.424 8.104 1.00 0.00 C ATOM 87 O PHE A 6 -13.816 -2.562 9.262 1.00 0.00 O ATOM 88 CB PHE A 6 -11.595 -3.998 7.418 1.00 0.00 C ATOM 89 CG PHE A 6 -11.737 -4.949 8.572 1.00 0.00 C ATOM 90 CD1 PHE A 6 -12.988 -5.388 8.974 1.00 0.00 C ATOM 91 CD2 PHE A 6 -10.620 -5.405 9.253 1.00 0.00 C ATOM 92 CE1 PHE A 6 -13.123 -6.262 10.035 1.00 0.00 C ATOM 93 CE2 PHE A 6 -10.748 -6.280 10.315 1.00 0.00 C ATOM 94 CZ PHE A 6 -12.002 -6.710 10.706 1.00 0.00 C ATOM 0 H PHE A 6 -10.959 -2.794 9.614 1.00 0.00 H new ATOM 0 HA PHE A 6 -11.717 -1.913 6.913 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -12.245 -4.325 6.607 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -10.572 -4.043 7.045 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -13.868 -5.043 8.452 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -9.638 -5.073 8.950 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -14.104 -6.595 10.340 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -9.870 -6.627 10.839 1.00 0.00 H new ATOM 0 HZ PHE A 6 -12.105 -7.395 11.535 1.00 0.00 H new ATOM 104 N PHE A 7 -14.242 -2.164 7.086 1.00 0.00 N ATOM 105 CA PHE A 7 -15.682 -2.025 7.293 1.00 0.00 C ATOM 106 C PHE A 7 -16.437 -3.226 6.718 1.00 0.00 C ATOM 107 O PHE A 7 -16.091 -3.742 5.655 1.00 0.00 O ATOM 108 CB PHE A 7 -16.214 -0.719 6.675 1.00 0.00 C ATOM 109 CG PHE A 7 -15.342 -0.116 5.599 1.00 0.00 C ATOM 110 CD1 PHE A 7 -15.339 -0.637 4.314 1.00 0.00 C ATOM 111 CD2 PHE A 7 -14.544 0.988 5.870 1.00 0.00 C ATOM 112 CE1 PHE A 7 -14.554 -0.074 3.322 1.00 0.00 C ATOM 113 CE2 PHE A 7 -13.759 1.558 4.880 1.00 0.00 C ATOM 114 CZ PHE A 7 -13.763 1.027 3.606 1.00 0.00 C ATOM 0 H PHE A 7 -13.938 -2.047 6.119 1.00 0.00 H new ATOM 0 HA PHE A 7 -15.854 -1.988 8.369 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -17.202 -0.910 6.255 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -16.342 0.015 7.471 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -15.957 -1.493 4.084 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -14.535 1.408 6.865 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -14.558 -0.493 2.327 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -13.145 2.417 5.105 1.00 0.00 H new ATOM 0 HZ PHE A 7 -13.151 1.469 2.833 1.00 0.00 H new ATOM 124 N ASP A 8 -17.460 -3.676 7.448 1.00 0.00 N ATOM 125 CA ASP A 8 -18.263 -4.831 7.040 1.00 0.00 C ATOM 126 C ASP A 8 -18.923 -4.619 5.682 1.00 0.00 C ATOM 127 O ASP A 8 -19.935 -3.928 5.566 1.00 0.00 O ATOM 128 CB ASP A 8 -19.331 -5.134 8.089 1.00 0.00 C ATOM 129 CG ASP A 8 -20.064 -3.888 8.547 1.00 0.00 C ATOM 130 OD1 ASP A 8 -19.989 -2.860 7.840 1.00 0.00 O ATOM 131 OD2 ASP A 8 -20.713 -3.939 9.614 1.00 0.00 O ATOM 0 H ASP A 8 -17.753 -3.255 8.330 1.00 0.00 H new ATOM 0 HA ASP A 8 -17.584 -5.679 6.953 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -20.049 -5.844 7.678 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -18.865 -5.615 8.949 1.00 0.00 H new ATOM 136 N VAL A 9 -18.338 -5.229 4.660 1.00 0.00 N ATOM 137 CA VAL A 9 -18.848 -5.130 3.297 1.00 0.00 C ATOM 138 C VAL A 9 -19.512 -6.415 2.819 1.00 0.00 C ATOM 139 O VAL A 9 -19.177 -7.512 3.267 1.00 0.00 O ATOM 140 CB VAL A 9 -17.765 -4.765 2.278 1.00 0.00 C ATOM 141 CG1 VAL A 9 -17.003 -6.016 1.850 1.00 0.00 C ATOM 142 CG2 VAL A 9 -18.415 -4.066 1.089 1.00 0.00 C ATOM 0 H VAL A 9 -17.500 -5.804 4.750 1.00 0.00 H new ATOM 0 HA VAL A 9 -19.586 -4.330 3.350 1.00 0.00 H new ATOM 0 HB VAL A 9 -17.043 -4.083 2.727 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -16.235 -5.744 1.125 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -16.534 -6.472 2.722 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -17.695 -6.726 1.397 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -17.650 -3.803 0.359 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -19.143 -4.734 0.628 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -18.918 -3.161 1.429 1.00 0.00 H new ATOM 152 N THR A 10 -20.436 -6.264 1.884 1.00 0.00 N ATOM 153 CA THR A 10 -21.135 -7.396 1.302 1.00 0.00 C ATOM 154 C THR A 10 -20.640 -7.678 -0.119 1.00 0.00 C ATOM 155 O THR A 10 -21.440 -7.685 -1.056 1.00 0.00 O ATOM 156 CB THR A 10 -22.622 -7.095 1.250 1.00 0.00 C ATOM 157 OG1 THR A 10 -23.113 -6.743 2.530 1.00 0.00 O ATOM 158 CG2 THR A 10 -23.445 -8.251 0.730 1.00 0.00 C ATOM 0 H THR A 10 -20.721 -5.359 1.510 1.00 0.00 H new ATOM 0 HA THR A 10 -20.942 -8.272 1.922 1.00 0.00 H new ATOM 0 HB THR A 10 -22.725 -6.261 0.556 1.00 0.00 H new ATOM 0 HG1 THR A 10 -24.072 -6.552 2.471 1.00 0.00 H new ATOM 0 HG21 THR A 10 -24.498 -7.971 0.718 1.00 0.00 H new ATOM 0 HG22 THR A 10 -23.124 -8.500 -0.281 1.00 0.00 H new ATOM 0 HG23 THR A 10 -23.307 -9.116 1.378 1.00 0.00 H new ATOM 166 N ALA A 11 -19.332 -7.912 -0.288 1.00 0.00 N ATOM 167 CA ALA A 11 -18.761 -8.187 -1.606 1.00 0.00 C ATOM 168 C ALA A 11 -17.337 -7.679 -1.683 1.00 0.00 C ATOM 169 O ALA A 11 -16.407 -8.451 -1.883 1.00 0.00 O ATOM 170 CB ALA A 11 -19.587 -7.559 -2.723 1.00 0.00 C ATOM 0 H ALA A 11 -18.653 -7.916 0.473 1.00 0.00 H new ATOM 0 HA ALA A 11 -18.771 -9.268 -1.742 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -19.129 -7.786 -3.686 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -20.599 -7.962 -2.698 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -19.624 -6.478 -2.585 1.00 0.00 H new ATOM 176 N ASP A 12 -17.168 -6.375 -1.509 1.00 0.00 N ATOM 177 CA ASP A 12 -15.824 -5.778 -1.553 1.00 0.00 C ATOM 178 C ASP A 12 -15.511 -5.008 -0.287 1.00 0.00 C ATOM 179 O ASP A 12 -16.238 -4.106 0.100 1.00 0.00 O ATOM 180 CB ASP A 12 -15.620 -4.857 -2.746 1.00 0.00 C ATOM 181 CG ASP A 12 -16.824 -4.782 -3.669 1.00 0.00 C ATOM 182 OD1 ASP A 12 -17.933 -4.491 -3.175 1.00 0.00 O ATOM 183 OD2 ASP A 12 -16.654 -5.013 -4.884 1.00 0.00 O ATOM 0 H ASP A 12 -17.925 -5.713 -1.338 1.00 0.00 H new ATOM 0 HA ASP A 12 -15.141 -6.622 -1.650 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -15.386 -3.855 -2.385 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -14.757 -5.200 -3.316 1.00 0.00 H new ATOM 188 N ALA A 13 -14.430 -5.383 0.359 1.00 0.00 N ATOM 189 CA ALA A 13 -14.034 -4.754 1.606 1.00 0.00 C ATOM 190 C ALA A 13 -12.953 -3.702 1.444 1.00 0.00 C ATOM 191 O ALA A 13 -11.886 -3.961 0.885 1.00 0.00 O ATOM 192 CB ALA A 13 -13.577 -5.828 2.568 1.00 0.00 C ATOM 0 H ALA A 13 -13.804 -6.124 0.042 1.00 0.00 H new ATOM 0 HA ALA A 13 -14.905 -4.226 1.993 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -13.276 -5.369 3.510 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.394 -6.526 2.749 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -12.730 -6.364 2.139 1.00 0.00 H new ATOM 198 N GLY A 14 -13.226 -2.526 1.992 1.00 0.00 N ATOM 199 CA GLY A 14 -12.261 -1.451 1.964 1.00 0.00 C ATOM 200 C GLY A 14 -11.720 -1.205 3.348 1.00 0.00 C ATOM 201 O GLY A 14 -12.429 -1.390 4.338 1.00 0.00 O ATOM 0 H GLY A 14 -14.105 -2.299 2.458 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.445 -1.702 1.286 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.727 -0.543 1.581 1.00 0.00 H new ATOM 205 N PHE A 15 -10.463 -0.818 3.436 1.00 0.00 N ATOM 206 CA PHE A 15 -9.848 -0.586 4.730 1.00 0.00 C ATOM 207 C PHE A 15 -9.689 0.897 4.993 1.00 0.00 C ATOM 208 O PHE A 15 -9.577 1.694 4.068 1.00 0.00 O ATOM 209 CB PHE A 15 -8.485 -1.277 4.805 1.00 0.00 C ATOM 210 CG PHE A 15 -8.449 -2.612 4.118 1.00 0.00 C ATOM 211 CD1 PHE A 15 -8.116 -2.706 2.775 1.00 0.00 C ATOM 212 CD2 PHE A 15 -8.750 -3.773 4.811 1.00 0.00 C ATOM 213 CE1 PHE A 15 -8.084 -3.932 2.139 1.00 0.00 C ATOM 214 CE2 PHE A 15 -8.721 -5.001 4.181 1.00 0.00 C ATOM 215 CZ PHE A 15 -8.387 -5.081 2.842 1.00 0.00 C ATOM 0 H PHE A 15 -9.851 -0.658 2.636 1.00 0.00 H new ATOM 0 HA PHE A 15 -10.502 -1.006 5.494 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.733 -0.627 4.358 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -8.211 -1.409 5.852 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -7.879 -1.810 2.220 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -9.011 -3.717 5.858 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -7.822 -3.992 1.093 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -8.959 -5.898 4.733 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.363 -6.040 2.347 1.00 0.00 H new ATOM 225 N TRP A 16 -9.670 1.254 6.263 1.00 0.00 N ATOM 226 CA TRP A 16 -9.511 2.637 6.665 1.00 0.00 C ATOM 227 C TRP A 16 -8.156 2.803 7.318 1.00 0.00 C ATOM 228 O TRP A 16 -7.820 2.081 8.250 1.00 0.00 O ATOM 229 CB TRP A 16 -10.616 3.044 7.646 1.00 0.00 C ATOM 230 CG TRP A 16 -11.699 3.876 7.026 1.00 0.00 C ATOM 231 CD1 TRP A 16 -13.045 3.701 7.164 1.00 0.00 C ATOM 232 CD2 TRP A 16 -11.527 5.018 6.178 1.00 0.00 C ATOM 233 NE1 TRP A 16 -13.721 4.658 6.448 1.00 0.00 N ATOM 234 CE2 TRP A 16 -12.812 5.479 5.835 1.00 0.00 C ATOM 235 CE3 TRP A 16 -10.412 5.694 5.674 1.00 0.00 C ATOM 236 CZ2 TRP A 16 -13.011 6.584 5.012 1.00 0.00 C ATOM 237 CZ3 TRP A 16 -10.612 6.791 4.857 1.00 0.00 C ATOM 238 CH2 TRP A 16 -11.902 7.227 4.533 1.00 0.00 C ATOM 0 H TRP A 16 -9.764 0.599 7.039 1.00 0.00 H new ATOM 0 HA TRP A 16 -9.583 3.278 5.786 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -11.060 2.144 8.072 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -10.170 3.600 8.471 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -13.511 2.923 7.751 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -14.735 4.744 6.383 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -9.413 5.365 5.918 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -14.005 6.922 4.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -9.758 7.321 4.462 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -12.025 8.088 3.892 1.00 0.00 H new ATOM 249 N ALA A 17 -7.379 3.747 6.820 1.00 0.00 N ATOM 250 CA ALA A 17 -6.054 3.992 7.354 1.00 0.00 C ATOM 251 C ALA A 17 -5.947 5.387 7.882 1.00 0.00 C ATOM 252 O ALA A 17 -6.769 6.248 7.588 1.00 0.00 O ATOM 253 CB ALA A 17 -4.991 3.731 6.298 1.00 0.00 C ATOM 0 H ALA A 17 -7.644 4.356 6.046 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.887 3.302 8.181 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.004 3.921 6.720 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.051 2.693 5.970 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.154 4.391 5.446 1.00 0.00 H new ATOM 259 N TYR A 18 -4.950 5.576 8.710 1.00 0.00 N ATOM 260 CA TYR A 18 -4.729 6.843 9.350 1.00 0.00 C ATOM 261 C TYR A 18 -3.370 7.421 8.987 1.00 0.00 C ATOM 262 O TYR A 18 -2.474 6.707 8.540 1.00 0.00 O ATOM 263 CB TYR A 18 -4.845 6.638 10.842 1.00 0.00 C ATOM 264 CG TYR A 18 -6.269 6.561 11.334 1.00 0.00 C ATOM 265 CD1 TYR A 18 -6.977 5.371 11.256 1.00 0.00 C ATOM 266 CD2 TYR A 18 -6.904 7.672 11.871 1.00 0.00 C ATOM 267 CE1 TYR A 18 -8.280 5.287 11.700 1.00 0.00 C ATOM 268 CE2 TYR A 18 -8.210 7.598 12.319 1.00 0.00 C ATOM 269 CZ TYR A 18 -8.893 6.402 12.231 1.00 0.00 C ATOM 270 OH TYR A 18 -10.192 6.322 12.675 1.00 0.00 O ATOM 0 H TYR A 18 -4.271 4.856 8.957 1.00 0.00 H new ATOM 0 HA TYR A 18 -5.475 7.560 9.008 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.325 5.720 11.115 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.337 7.456 11.353 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -6.500 4.496 10.841 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.370 8.608 11.940 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -8.817 4.353 11.632 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -8.692 8.470 12.735 1.00 0.00 H new ATOM 0 HH TYR A 18 -10.610 5.511 12.318 1.00 0.00 H new ATOM 280 N GLY A 19 -3.236 8.728 9.165 1.00 0.00 N ATOM 281 CA GLY A 19 -2.000 9.396 8.834 1.00 0.00 C ATOM 282 C GLY A 19 -1.302 10.004 10.002 1.00 0.00 C ATOM 283 O GLY A 19 -1.767 9.964 11.142 1.00 0.00 O ATOM 0 H GLY A 19 -3.966 9.337 9.534 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.330 8.681 8.357 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.207 10.177 8.102 1.00 0.00 H new ATOM 287 N HIS A 20 -0.159 10.555 9.684 1.00 0.00 N ATOM 288 CA HIS A 20 0.697 11.189 10.642 1.00 0.00 C ATOM 289 C HIS A 20 1.437 12.362 9.995 1.00 0.00 C ATOM 290 O HIS A 20 2.276 13.008 10.625 1.00 0.00 O ATOM 291 CB HIS A 20 1.639 10.118 11.166 1.00 0.00 C ATOM 292 CG HIS A 20 3.097 10.469 11.156 1.00 0.00 C ATOM 293 ND1 HIS A 20 3.966 9.975 10.206 1.00 0.00 N ATOM 294 CD2 HIS A 20 3.840 11.253 11.971 1.00 0.00 C ATOM 295 CE1 HIS A 20 5.175 10.436 10.432 1.00 0.00 C ATOM 296 NE2 HIS A 20 5.131 11.217 11.498 1.00 0.00 N ATOM 0 H HIS A 20 0.206 10.574 8.732 1.00 0.00 H new ATOM 0 HA HIS A 20 0.134 11.613 11.473 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.350 9.876 12.189 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.498 9.215 10.572 1.00 0.00 H new ATOM 0 HD2 HIS A 20 3.486 11.803 12.830 1.00 0.00 H new ATOM 0 HE1 HIS A 20 6.055 10.215 9.847 1.00 0.00 H new ATOM 0 HE2 HIS A 20 5.925 11.712 11.904 1.00 0.00 H new ATOM 305 N ASP A 21 1.096 12.630 8.731 1.00 0.00 N ATOM 306 CA ASP A 21 1.697 13.720 7.959 1.00 0.00 C ATOM 307 C ASP A 21 1.538 13.460 6.464 1.00 0.00 C ATOM 308 O ASP A 21 2.419 13.787 5.668 1.00 0.00 O ATOM 309 CB ASP A 21 3.183 13.888 8.302 1.00 0.00 C ATOM 310 CG ASP A 21 3.432 15.056 9.237 1.00 0.00 C ATOM 311 OD1 ASP A 21 3.101 16.199 8.860 1.00 0.00 O ATOM 312 OD2 ASP A 21 3.958 14.826 10.346 1.00 0.00 O ATOM 0 H ASP A 21 0.396 12.097 8.215 1.00 0.00 H new ATOM 0 HA ASP A 21 1.177 14.642 8.221 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.553 12.972 8.763 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.751 14.034 7.383 1.00 0.00 H new ATOM 317 N LEU A 22 0.414 12.858 6.088 1.00 0.00 N ATOM 318 CA LEU A 22 0.133 12.533 4.692 1.00 0.00 C ATOM 319 C LEU A 22 0.999 11.371 4.227 1.00 0.00 C ATOM 320 O LEU A 22 0.498 10.403 3.661 1.00 0.00 O ATOM 321 CB LEU A 22 0.350 13.757 3.793 1.00 0.00 C ATOM 322 CG LEU A 22 -0.798 14.076 2.829 1.00 0.00 C ATOM 323 CD1 LEU A 22 -1.321 12.808 2.168 1.00 0.00 C ATOM 324 CD2 LEU A 22 -1.919 14.803 3.557 1.00 0.00 C ATOM 0 H LEU A 22 -0.324 12.583 6.737 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.913 12.235 4.618 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.522 14.627 4.427 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.259 13.603 3.211 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.413 14.730 2.047 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.135 13.061 1.489 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.516 12.331 1.608 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.687 12.123 2.933 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.726 15.022 2.857 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.298 14.174 4.362 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.538 15.735 3.974 1.00 0.00 H new ATOM 336 N GLU A 23 2.298 11.458 4.475 1.00 0.00 N ATOM 337 CA GLU A 23 3.206 10.395 4.088 1.00 0.00 C ATOM 338 C GLU A 23 2.797 9.089 4.762 1.00 0.00 C ATOM 339 O GLU A 23 2.802 8.032 4.141 1.00 0.00 O ATOM 340 CB GLU A 23 4.647 10.754 4.472 1.00 0.00 C ATOM 341 CG GLU A 23 5.020 12.198 4.180 1.00 0.00 C ATOM 342 CD GLU A 23 5.199 13.022 5.439 1.00 0.00 C ATOM 343 OE1 GLU A 23 5.683 12.468 6.448 1.00 0.00 O ATOM 344 OE2 GLU A 23 4.855 14.223 5.418 1.00 0.00 O ATOM 0 H GLU A 23 2.742 12.250 4.940 1.00 0.00 H new ATOM 0 HA GLU A 23 3.155 10.270 3.006 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.788 10.560 5.535 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.330 10.097 3.935 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.944 12.220 3.602 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.245 12.651 3.561 1.00 0.00 H new ATOM 351 N GLU A 24 2.448 9.176 6.040 1.00 0.00 N ATOM 352 CA GLU A 24 2.054 7.998 6.811 1.00 0.00 C ATOM 353 C GLU A 24 0.932 7.189 6.150 1.00 0.00 C ATOM 354 O GLU A 24 1.008 5.963 6.086 1.00 0.00 O ATOM 355 CB GLU A 24 1.604 8.401 8.211 1.00 0.00 C ATOM 356 CG GLU A 24 1.635 7.248 9.204 1.00 0.00 C ATOM 357 CD GLU A 24 3.007 7.039 9.816 1.00 0.00 C ATOM 358 OE1 GLU A 24 3.996 6.993 9.053 1.00 0.00 O ATOM 359 OE2 GLU A 24 3.092 6.920 11.056 1.00 0.00 O ATOM 0 H GLU A 24 2.429 10.049 6.567 1.00 0.00 H new ATOM 0 HA GLU A 24 2.939 7.364 6.858 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.245 9.203 8.575 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.591 8.801 8.159 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.913 7.438 9.998 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.323 6.333 8.701 1.00 0.00 H new ATOM 366 N VAL A 25 -0.129 7.864 5.700 1.00 0.00 N ATOM 367 CA VAL A 25 -1.270 7.160 5.100 1.00 0.00 C ATOM 368 C VAL A 25 -0.918 6.473 3.780 1.00 0.00 C ATOM 369 O VAL A 25 -1.492 5.436 3.448 1.00 0.00 O ATOM 370 CB VAL A 25 -2.495 8.081 4.871 1.00 0.00 C ATOM 371 CG1 VAL A 25 -3.449 8.006 6.052 1.00 0.00 C ATOM 372 CG2 VAL A 25 -2.075 9.518 4.616 1.00 0.00 C ATOM 0 H VAL A 25 -0.224 8.879 5.737 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.534 6.399 5.834 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.012 7.725 3.980 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.303 8.660 5.872 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.797 6.980 6.174 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.933 8.324 6.958 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.961 10.134 4.460 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.519 9.893 5.476 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.443 9.560 3.729 1.00 0.00 H new ATOM 382 N PHE A 26 0.008 7.047 3.024 1.00 0.00 N ATOM 383 CA PHE A 26 0.396 6.470 1.738 1.00 0.00 C ATOM 384 C PHE A 26 0.953 5.058 1.901 1.00 0.00 C ATOM 385 O PHE A 26 0.474 4.117 1.269 1.00 0.00 O ATOM 386 CB PHE A 26 1.417 7.366 1.043 1.00 0.00 C ATOM 387 CG PHE A 26 0.783 8.516 0.321 1.00 0.00 C ATOM 388 CD1 PHE A 26 0.045 8.301 -0.830 1.00 0.00 C ATOM 389 CD2 PHE A 26 0.916 9.809 0.797 1.00 0.00 C ATOM 390 CE1 PHE A 26 -0.548 9.354 -1.494 1.00 0.00 C ATOM 391 CE2 PHE A 26 0.325 10.868 0.138 1.00 0.00 C ATOM 392 CZ PHE A 26 -0.408 10.641 -1.011 1.00 0.00 C ATOM 0 H PHE A 26 0.502 7.904 3.273 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.499 6.404 1.120 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.120 7.750 1.782 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.993 6.771 0.334 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.068 7.297 -1.212 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.489 9.991 1.694 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.122 9.173 -2.391 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.435 11.872 0.520 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.870 11.467 -1.530 1.00 0.00 H new ATOM 402 N GLU A 27 1.959 4.915 2.754 1.00 0.00 N ATOM 403 CA GLU A 27 2.571 3.615 3.002 1.00 0.00 C ATOM 404 C GLU A 27 1.587 2.696 3.716 1.00 0.00 C ATOM 405 O GLU A 27 1.552 1.492 3.464 1.00 0.00 O ATOM 406 CB GLU A 27 3.847 3.790 3.820 1.00 0.00 C ATOM 407 CG GLU A 27 5.128 3.707 2.995 1.00 0.00 C ATOM 408 CD GLU A 27 5.135 2.571 1.983 1.00 0.00 C ATOM 409 OE1 GLU A 27 4.558 2.747 0.890 1.00 0.00 O ATOM 410 OE2 GLU A 27 5.726 1.513 2.278 1.00 0.00 O ATOM 0 H GLU A 27 2.369 5.683 3.286 1.00 0.00 H new ATOM 0 HA GLU A 27 2.833 3.155 2.049 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.814 4.756 4.325 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.877 3.026 4.596 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.272 4.651 2.469 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.976 3.586 3.669 1.00 0.00 H new ATOM 417 N ASN A 28 0.766 3.279 4.585 1.00 0.00 N ATOM 418 CA ASN A 28 -0.243 2.515 5.305 1.00 0.00 C ATOM 419 C ASN A 28 -1.264 1.955 4.319 1.00 0.00 C ATOM 420 O ASN A 28 -1.878 0.915 4.557 1.00 0.00 O ATOM 421 CB ASN A 28 -0.938 3.394 6.348 1.00 0.00 C ATOM 422 CG ASN A 28 -0.382 3.184 7.743 1.00 0.00 C ATOM 423 OD1 ASN A 28 0.827 3.277 7.962 1.00 0.00 O ATOM 424 ND2 ASN A 28 -1.262 2.899 8.696 1.00 0.00 N ATOM 0 H ASN A 28 0.781 4.275 4.806 1.00 0.00 H new ATOM 0 HA ASN A 28 0.243 1.689 5.824 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -0.826 4.442 6.069 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.006 3.177 6.349 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.945 2.747 9.654 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.254 2.832 8.470 1.00 0.00 H new ATOM 431 N ALA A 29 -1.420 2.656 3.198 1.00 0.00 N ATOM 432 CA ALA A 29 -2.338 2.254 2.143 1.00 0.00 C ATOM 433 C ALA A 29 -1.829 1.005 1.432 1.00 0.00 C ATOM 434 O ALA A 29 -2.575 0.340 0.715 1.00 0.00 O ATOM 435 CB ALA A 29 -2.521 3.419 1.187 1.00 0.00 C ATOM 0 H ALA A 29 -0.912 3.518 2.999 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.308 1.996 2.569 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.207 3.132 0.390 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.930 4.273 1.728 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.558 3.690 0.756 1.00 0.00 H new ATOM 441 N ALA A 30 -0.561 0.677 1.659 1.00 0.00 N ATOM 442 CA ALA A 30 0.041 -0.506 1.064 1.00 0.00 C ATOM 443 C ALA A 30 0.054 -1.664 2.061 1.00 0.00 C ATOM 444 O ALA A 30 0.292 -2.813 1.691 1.00 0.00 O ATOM 445 CB ALA A 30 1.455 -0.196 0.592 1.00 0.00 C ATOM 0 H ALA A 30 0.069 1.217 2.252 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.558 -0.803 0.203 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.895 -1.089 0.149 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.424 0.600 -0.152 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.060 0.123 1.441 1.00 0.00 H new ATOM 451 N LEU A 31 -0.199 -1.350 3.332 1.00 0.00 N ATOM 452 CA LEU A 31 -0.210 -2.359 4.386 1.00 0.00 C ATOM 453 C LEU A 31 -1.597 -2.979 4.555 1.00 0.00 C ATOM 454 O LEU A 31 -1.718 -4.156 4.889 1.00 0.00 O ATOM 455 CB LEU A 31 0.249 -1.745 5.710 1.00 0.00 C ATOM 456 CG LEU A 31 0.749 -2.748 6.752 1.00 0.00 C ATOM 457 CD1 LEU A 31 1.772 -2.096 7.670 1.00 0.00 C ATOM 458 CD2 LEU A 31 -0.416 -3.309 7.558 1.00 0.00 C ATOM 0 H LEU A 31 -0.399 -0.403 3.655 1.00 0.00 H new ATOM 0 HA LEU A 31 0.481 -3.150 4.094 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.046 -1.031 5.504 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.580 -1.182 6.139 1.00 0.00 H new ATOM 0 HG LEU A 31 1.233 -3.574 6.231 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.117 -2.823 8.405 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.619 -1.746 7.080 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.314 -1.251 8.184 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.040 -4.020 8.294 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.930 -2.495 8.070 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.112 -3.814 6.888 1.00 0.00 H new ATOM 470 N ALA A 32 -2.643 -2.185 4.331 1.00 0.00 N ATOM 471 CA ALA A 32 -4.016 -2.676 4.470 1.00 0.00 C ATOM 472 C ALA A 32 -4.203 -4.001 3.736 1.00 0.00 C ATOM 473 O ALA A 32 -4.789 -4.942 4.271 1.00 0.00 O ATOM 474 CB ALA A 32 -5.011 -1.638 3.961 1.00 0.00 C ATOM 0 H ALA A 32 -2.569 -1.206 4.054 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.205 -2.848 5.530 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.025 -2.021 4.073 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.905 -0.719 4.537 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.815 -1.431 2.909 1.00 0.00 H new ATOM 480 N MET A 33 -3.701 -4.065 2.507 1.00 0.00 N ATOM 481 CA MET A 33 -3.810 -5.272 1.696 1.00 0.00 C ATOM 482 C MET A 33 -2.891 -6.374 2.220 1.00 0.00 C ATOM 483 O MET A 33 -3.239 -7.555 2.183 1.00 0.00 O ATOM 484 CB MET A 33 -3.472 -4.958 0.237 1.00 0.00 C ATOM 485 CG MET A 33 -3.519 -6.172 -0.678 1.00 0.00 C ATOM 486 SD MET A 33 -5.090 -7.051 -0.591 1.00 0.00 S ATOM 487 CE MET A 33 -4.768 -8.425 -1.695 1.00 0.00 C ATOM 0 H MET A 33 -3.214 -3.294 2.050 1.00 0.00 H new ATOM 0 HA MET A 33 -4.838 -5.629 1.758 1.00 0.00 H new ATOM 0 HB2 MET A 33 -4.169 -4.207 -0.134 1.00 0.00 H new ATOM 0 HB3 MET A 33 -2.476 -4.518 0.191 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.342 -5.854 -1.705 1.00 0.00 H new ATOM 0 HG3 MET A 33 -2.711 -6.854 -0.412 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.607 -8.545 -2.381 1.00 0.00 H new ATOM 0 HE2 MET A 33 -3.859 -8.229 -2.264 1.00 0.00 H new ATOM 0 HE3 MET A 33 -4.642 -9.338 -1.113 1.00 0.00 H new ATOM 497 N PHE A 34 -1.714 -5.983 2.698 1.00 0.00 N ATOM 498 CA PHE A 34 -0.741 -6.939 3.218 1.00 0.00 C ATOM 499 C PHE A 34 -1.202 -7.529 4.548 1.00 0.00 C ATOM 500 O PHE A 34 -1.176 -8.744 4.743 1.00 0.00 O ATOM 501 CB PHE A 34 0.622 -6.264 3.397 1.00 0.00 C ATOM 502 CG PHE A 34 1.354 -6.011 2.106 1.00 0.00 C ATOM 503 CD1 PHE A 34 0.691 -5.506 0.997 1.00 0.00 C ATOM 504 CD2 PHE A 34 2.711 -6.277 2.004 1.00 0.00 C ATOM 505 CE1 PHE A 34 1.366 -5.272 -0.185 1.00 0.00 C ATOM 506 CE2 PHE A 34 3.390 -6.045 0.824 1.00 0.00 C ATOM 507 CZ PHE A 34 2.717 -5.542 -0.272 1.00 0.00 C ATOM 0 H PHE A 34 -1.410 -5.010 2.736 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.651 -7.750 2.495 1.00 0.00 H new ATOM 0 HB2 PHE A 34 0.481 -5.315 3.915 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.244 -6.888 4.039 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.366 -5.293 1.059 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.243 -6.670 2.857 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.837 -4.878 -1.040 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.447 -6.257 0.758 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.247 -5.360 -1.195 1.00 0.00 H new ATOM 517 N GLU A 35 -1.628 -6.665 5.461 1.00 0.00 N ATOM 518 CA GLU A 35 -2.097 -7.107 6.769 1.00 0.00 C ATOM 519 C GLU A 35 -3.184 -8.167 6.618 1.00 0.00 C ATOM 520 O GLU A 35 -3.333 -9.048 7.465 1.00 0.00 O ATOM 521 CB GLU A 35 -2.629 -5.919 7.573 1.00 0.00 C ATOM 522 CG GLU A 35 -2.155 -5.901 9.017 1.00 0.00 C ATOM 523 CD GLU A 35 -2.689 -7.070 9.821 1.00 0.00 C ATOM 524 OE1 GLU A 35 -3.922 -7.149 10.006 1.00 0.00 O ATOM 525 OE2 GLU A 35 -1.876 -7.907 10.265 1.00 0.00 O ATOM 0 H GLU A 35 -1.659 -5.655 5.320 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.255 -7.546 7.305 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.320 -4.994 7.086 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.719 -5.939 7.557 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.065 -5.918 9.038 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.468 -4.969 9.487 1.00 0.00 H new ATOM 532 N VAL A 36 -3.939 -8.072 5.529 1.00 0.00 N ATOM 533 CA VAL A 36 -5.014 -9.014 5.255 1.00 0.00 C ATOM 534 C VAL A 36 -4.512 -10.213 4.455 1.00 0.00 C ATOM 535 O VAL A 36 -4.803 -11.361 4.793 1.00 0.00 O ATOM 536 CB VAL A 36 -6.153 -8.344 4.469 1.00 0.00 C ATOM 537 CG1 VAL A 36 -7.347 -9.279 4.355 1.00 0.00 C ATOM 538 CG2 VAL A 36 -6.556 -7.027 5.118 1.00 0.00 C ATOM 0 H VAL A 36 -3.824 -7.348 4.820 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.387 -9.353 6.221 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.793 -8.128 3.463 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -8.142 -8.787 3.796 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -7.048 -10.189 3.836 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -7.708 -9.532 5.352 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -7.363 -6.571 4.545 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.895 -7.212 6.137 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.699 -6.354 5.137 1.00 0.00 H new ATOM 548 N MET A 37 -3.766 -9.940 3.386 1.00 0.00 N ATOM 549 CA MET A 37 -3.236 -11.001 2.531 1.00 0.00 C ATOM 550 C MET A 37 -2.579 -12.103 3.362 1.00 0.00 C ATOM 551 O MET A 37 -2.852 -13.287 3.163 1.00 0.00 O ATOM 552 CB MET A 37 -2.247 -10.426 1.507 1.00 0.00 C ATOM 553 CG MET A 37 -0.820 -10.287 2.018 1.00 0.00 C ATOM 554 SD MET A 37 0.301 -9.612 0.778 1.00 0.00 S ATOM 555 CE MET A 37 0.613 -11.064 -0.222 1.00 0.00 C ATOM 0 H MET A 37 -3.515 -8.996 3.092 1.00 0.00 H new ATOM 0 HA MET A 37 -4.071 -11.446 1.990 1.00 0.00 H new ATOM 0 HB2 MET A 37 -2.243 -11.067 0.625 1.00 0.00 H new ATOM 0 HB3 MET A 37 -2.602 -9.446 1.188 1.00 0.00 H new ATOM 0 HG2 MET A 37 -0.814 -9.642 2.896 1.00 0.00 H new ATOM 0 HG3 MET A 37 -0.456 -11.264 2.337 1.00 0.00 H new ATOM 0 HE1 MET A 37 0.703 -10.773 -1.268 1.00 0.00 H new ATOM 0 HE2 MET A 37 1.539 -11.538 0.104 1.00 0.00 H new ATOM 0 HE3 MET A 37 -0.213 -11.767 -0.111 1.00 0.00 H new ATOM 565 N THR A 38 -1.720 -11.701 4.296 1.00 0.00 N ATOM 566 CA THR A 38 -1.022 -12.646 5.173 1.00 0.00 C ATOM 567 C THR A 38 0.145 -11.966 5.883 1.00 0.00 C ATOM 568 O THR A 38 0.508 -10.836 5.559 1.00 0.00 O ATOM 569 CB THR A 38 -0.517 -13.864 4.388 1.00 0.00 C ATOM 570 OG1 THR A 38 0.453 -14.578 5.135 1.00 0.00 O ATOM 571 CG2 THR A 38 0.102 -13.508 3.052 1.00 0.00 C ATOM 0 H THR A 38 -1.488 -10.723 4.468 1.00 0.00 H new ATOM 0 HA THR A 38 -1.738 -12.990 5.920 1.00 0.00 H new ATOM 0 HB THR A 38 -1.403 -14.473 4.206 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.117 -15.478 5.332 1.00 0.00 H new ATOM 0 HG21 THR A 38 0.437 -14.417 2.552 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.638 -13.004 2.431 1.00 0.00 H new ATOM 0 HG23 THR A 38 0.954 -12.846 3.210 1.00 0.00 H new ATOM 579 N ASP A 39 0.727 -12.663 6.854 1.00 0.00 N ATOM 580 CA ASP A 39 1.852 -12.129 7.615 1.00 0.00 C ATOM 581 C ASP A 39 3.183 -12.596 7.027 1.00 0.00 C ATOM 582 O ASP A 39 3.240 -13.594 6.312 1.00 0.00 O ATOM 583 CB ASP A 39 1.746 -12.557 9.080 1.00 0.00 C ATOM 584 CG ASP A 39 2.068 -11.427 10.037 1.00 0.00 C ATOM 585 OD1 ASP A 39 1.167 -10.606 10.310 1.00 0.00 O ATOM 586 OD2 ASP A 39 3.221 -11.363 10.513 1.00 0.00 O ATOM 0 H ASP A 39 0.438 -13.600 7.133 1.00 0.00 H new ATOM 0 HA ASP A 39 1.817 -11.041 7.556 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.737 -12.920 9.277 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.426 -13.389 9.263 1.00 0.00 H new ATOM 591 N THR A 40 4.251 -11.864 7.338 1.00 0.00 N ATOM 592 CA THR A 40 5.583 -12.204 6.840 1.00 0.00 C ATOM 593 C THR A 40 5.989 -13.608 7.276 1.00 0.00 C ATOM 594 O THR A 40 6.783 -14.269 6.607 1.00 0.00 O ATOM 595 CB THR A 40 6.623 -11.186 7.328 1.00 0.00 C ATOM 596 OG1 THR A 40 7.928 -11.736 7.266 1.00 0.00 O ATOM 597 CG2 THR A 40 6.396 -10.719 8.750 1.00 0.00 C ATOM 0 H THR A 40 4.221 -11.034 7.930 1.00 0.00 H new ATOM 0 HA THR A 40 5.545 -12.175 5.751 1.00 0.00 H new ATOM 0 HB THR A 40 6.516 -10.330 6.662 1.00 0.00 H new ATOM 0 HG1 THR A 40 8.582 -11.057 7.535 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.169 -10.002 9.025 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.418 -10.245 8.825 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.438 -11.574 9.425 1.00 0.00 H new ATOM 605 N SER A 41 5.441 -14.057 8.402 1.00 0.00 N ATOM 606 CA SER A 41 5.743 -15.384 8.932 1.00 0.00 C ATOM 607 C SER A 41 7.177 -15.463 9.452 1.00 0.00 C ATOM 608 O SER A 41 7.398 -15.700 10.639 1.00 0.00 O ATOM 609 CB SER A 41 5.508 -16.461 7.870 1.00 0.00 C ATOM 610 OG SER A 41 4.159 -16.466 7.437 1.00 0.00 O ATOM 0 H SER A 41 4.783 -13.519 8.967 1.00 0.00 H new ATOM 0 HA SER A 41 5.067 -15.563 9.768 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.166 -16.286 7.019 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.766 -17.439 8.276 1.00 0.00 H new ATOM 0 HG SER A 41 3.938 -15.595 7.046 1.00 0.00 H new ATOM 616 N LEU A 42 8.150 -15.269 8.563 1.00 0.00 N ATOM 617 CA LEU A 42 9.554 -15.327 8.959 1.00 0.00 C ATOM 618 C LEU A 42 10.439 -14.494 8.034 1.00 0.00 C ATOM 619 O LEU A 42 11.600 -14.834 7.806 1.00 0.00 O ATOM 620 CB LEU A 42 10.047 -16.779 8.982 1.00 0.00 C ATOM 621 CG LEU A 42 9.607 -17.653 7.802 1.00 0.00 C ATOM 622 CD1 LEU A 42 8.163 -18.100 7.971 1.00 0.00 C ATOM 623 CD2 LEU A 42 9.789 -16.913 6.482 1.00 0.00 C ATOM 0 H LEU A 42 7.994 -15.072 7.574 1.00 0.00 H new ATOM 0 HA LEU A 42 9.625 -14.906 9.962 1.00 0.00 H new ATOM 0 HB2 LEU A 42 11.136 -16.772 9.018 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.701 -17.246 9.904 1.00 0.00 H new ATOM 0 HG LEU A 42 10.240 -18.541 7.785 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.872 -18.719 7.122 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.066 -18.677 8.891 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.515 -17.225 8.021 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.470 -17.553 5.659 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.188 -16.004 6.489 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.839 -16.652 6.353 1.00 0.00 H new ATOM 635 N VAL A 43 9.895 -13.401 7.511 1.00 0.00 N ATOM 636 CA VAL A 43 10.656 -12.527 6.621 1.00 0.00 C ATOM 637 C VAL A 43 11.035 -11.235 7.330 1.00 0.00 C ATOM 638 O VAL A 43 10.205 -10.342 7.501 1.00 0.00 O ATOM 639 CB VAL A 43 9.873 -12.184 5.336 1.00 0.00 C ATOM 640 CG1 VAL A 43 10.828 -11.745 4.236 1.00 0.00 C ATOM 641 CG2 VAL A 43 9.032 -13.369 4.880 1.00 0.00 C ATOM 0 H VAL A 43 8.936 -13.099 7.685 1.00 0.00 H new ATOM 0 HA VAL A 43 11.556 -13.074 6.341 1.00 0.00 H new ATOM 0 HB VAL A 43 9.197 -11.358 5.556 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.261 -11.506 3.336 1.00 0.00 H new ATOM 0 HG12 VAL A 43 11.378 -10.863 4.563 1.00 0.00 H new ATOM 0 HG13 VAL A 43 11.529 -12.551 4.020 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.490 -13.103 3.973 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.682 -14.220 4.677 1.00 0.00 H new ATOM 0 HG23 VAL A 43 8.321 -13.634 5.663 1.00 0.00 H new ATOM 651 N GLU A 44 12.293 -11.143 7.745 1.00 0.00 N ATOM 652 CA GLU A 44 12.778 -9.959 8.440 1.00 0.00 C ATOM 653 C GLU A 44 13.670 -9.119 7.541 1.00 0.00 C ATOM 654 O GLU A 44 14.883 -9.324 7.476 1.00 0.00 O ATOM 655 CB GLU A 44 13.548 -10.347 9.693 1.00 0.00 C ATOM 656 CG GLU A 44 12.839 -11.380 10.554 1.00 0.00 C ATOM 657 CD GLU A 44 13.533 -11.607 11.882 1.00 0.00 C ATOM 658 OE1 GLU A 44 14.738 -11.930 11.875 1.00 0.00 O ATOM 659 OE2 GLU A 44 12.868 -11.463 12.930 1.00 0.00 O ATOM 0 H GLU A 44 12.993 -11.873 7.612 1.00 0.00 H new ATOM 0 HA GLU A 44 11.906 -9.368 8.721 1.00 0.00 H new ATOM 0 HB2 GLU A 44 14.523 -10.738 9.402 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.728 -9.452 10.289 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.814 -11.055 10.735 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.784 -12.324 10.011 1.00 0.00 H new ATOM 666 N ALA A 45 13.055 -8.166 6.860 1.00 0.00 N ATOM 667 CA ALA A 45 13.769 -7.263 5.960 1.00 0.00 C ATOM 668 C ALA A 45 14.820 -7.999 5.132 1.00 0.00 C ATOM 669 O ALA A 45 16.011 -7.691 5.206 1.00 0.00 O ATOM 670 CB ALA A 45 14.415 -6.136 6.755 1.00 0.00 C ATOM 0 H ALA A 45 12.051 -7.993 6.912 1.00 0.00 H new ATOM 0 HA ALA A 45 13.042 -6.843 5.265 1.00 0.00 H new ATOM 0 HB1 ALA A 45 14.945 -5.468 6.075 1.00 0.00 H new ATOM 0 HB2 ALA A 45 13.644 -5.577 7.286 1.00 0.00 H new ATOM 0 HB3 ALA A 45 15.119 -6.555 7.474 1.00 0.00 H new ATOM 676 N ALA A 46 14.376 -8.965 4.336 1.00 0.00 N ATOM 677 CA ALA A 46 15.281 -9.730 3.491 1.00 0.00 C ATOM 678 C ALA A 46 15.733 -8.898 2.298 1.00 0.00 C ATOM 679 O ALA A 46 16.776 -9.164 1.700 1.00 0.00 O ATOM 680 CB ALA A 46 14.606 -11.010 3.018 1.00 0.00 C ATOM 0 H ALA A 46 13.396 -9.236 4.259 1.00 0.00 H new ATOM 0 HA ALA A 46 16.160 -9.994 4.078 1.00 0.00 H new ATOM 0 HB1 ALA A 46 15.294 -11.572 2.387 1.00 0.00 H new ATOM 0 HB2 ALA A 46 14.328 -11.615 3.881 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.712 -10.760 2.447 1.00 0.00 H new ATOM 686 N GLU A 47 14.935 -7.892 1.955 1.00 0.00 N ATOM 687 CA GLU A 47 15.240 -7.020 0.831 1.00 0.00 C ATOM 688 C GLU A 47 14.712 -5.621 1.062 1.00 0.00 C ATOM 689 O GLU A 47 13.951 -5.386 1.989 1.00 0.00 O ATOM 690 CB GLU A 47 14.631 -7.578 -0.453 1.00 0.00 C ATOM 691 CG GLU A 47 13.261 -7.020 -0.806 1.00 0.00 C ATOM 692 CD GLU A 47 13.337 -5.760 -1.646 1.00 0.00 C ATOM 693 OE1 GLU A 47 14.229 -5.678 -2.515 1.00 0.00 O ATOM 694 OE2 GLU A 47 12.502 -4.855 -1.433 1.00 0.00 O ATOM 0 H GLU A 47 14.069 -7.662 2.443 1.00 0.00 H new ATOM 0 HA GLU A 47 16.325 -6.974 0.736 1.00 0.00 H new ATOM 0 HB2 GLU A 47 15.313 -7.377 -1.279 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.553 -8.661 -0.360 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.694 -7.778 -1.347 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.713 -6.806 0.112 1.00 0.00 H new ATOM 701 N GLU A 48 15.100 -4.706 0.189 1.00 0.00 N ATOM 702 CA GLU A 48 14.630 -3.337 0.269 1.00 0.00 C ATOM 703 C GLU A 48 14.395 -2.778 -1.132 1.00 0.00 C ATOM 704 O GLU A 48 15.306 -2.751 -1.960 1.00 0.00 O ATOM 705 CB GLU A 48 15.626 -2.467 1.037 1.00 0.00 C ATOM 706 CG GLU A 48 15.190 -1.017 1.172 1.00 0.00 C ATOM 707 CD GLU A 48 16.361 -0.053 1.175 1.00 0.00 C ATOM 708 OE1 GLU A 48 16.776 0.380 0.080 1.00 0.00 O ATOM 709 OE2 GLU A 48 16.863 0.267 2.274 1.00 0.00 O ATOM 0 H GLU A 48 15.740 -4.889 -0.584 1.00 0.00 H new ATOM 0 HA GLU A 48 13.684 -3.326 0.811 1.00 0.00 H new ATOM 0 HB2 GLU A 48 15.772 -2.888 2.032 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.591 -2.502 0.532 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.519 -0.765 0.351 1.00 0.00 H new ATOM 0 HG3 GLU A 48 14.623 -0.897 2.095 1.00 0.00 H new ATOM 716 N ARG A 49 13.170 -2.337 -1.394 1.00 0.00 N ATOM 717 CA ARG A 49 12.819 -1.783 -2.699 1.00 0.00 C ATOM 718 C ARG A 49 12.318 -0.351 -2.559 1.00 0.00 C ATOM 719 O ARG A 49 11.621 -0.021 -1.602 1.00 0.00 O ATOM 720 CB ARG A 49 11.754 -2.648 -3.377 1.00 0.00 C ATOM 721 CG ARG A 49 10.579 -2.993 -2.472 1.00 0.00 C ATOM 722 CD ARG A 49 9.253 -2.590 -3.099 1.00 0.00 C ATOM 723 NE ARG A 49 8.202 -3.567 -2.826 1.00 0.00 N ATOM 724 CZ ARG A 49 8.215 -4.818 -3.280 1.00 0.00 C ATOM 725 NH1 ARG A 49 9.223 -5.249 -4.030 1.00 0.00 N ATOM 726 NH2 ARG A 49 7.220 -5.641 -2.984 1.00 0.00 N ATOM 0 H ARG A 49 12.403 -2.352 -0.722 1.00 0.00 H new ATOM 0 HA ARG A 49 13.716 -1.778 -3.319 1.00 0.00 H new ATOM 0 HB2 ARG A 49 11.381 -2.126 -4.258 1.00 0.00 H new ATOM 0 HB3 ARG A 49 12.216 -3.572 -3.725 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.576 -4.064 -2.270 1.00 0.00 H new ATOM 0 HG3 ARG A 49 10.697 -2.489 -1.513 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.951 -1.615 -2.715 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.378 -2.483 -4.176 1.00 0.00 H new ATOM 0 HE ARG A 49 7.411 -3.273 -2.253 1.00 0.00 H new ATOM 0 HH11 ARG A 49 9.992 -4.620 -4.261 1.00 0.00 H new ATOM 0 HH12 ARG A 49 9.228 -6.209 -4.375 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.444 -5.316 -2.408 1.00 0.00 H new ATOM 0 HH22 ARG A 49 7.230 -6.600 -3.332 1.00 0.00 H new ATOM 740 N ARG A 50 12.686 0.499 -3.514 1.00 0.00 N ATOM 741 CA ARG A 50 12.280 1.901 -3.486 1.00 0.00 C ATOM 742 C ARG A 50 11.349 2.237 -4.649 1.00 0.00 C ATOM 743 O ARG A 50 11.518 1.736 -5.761 1.00 0.00 O ATOM 744 CB ARG A 50 13.511 2.808 -3.526 1.00 0.00 C ATOM 745 CG ARG A 50 13.890 3.378 -2.168 1.00 0.00 C ATOM 746 CD ARG A 50 15.374 3.211 -1.883 1.00 0.00 C ATOM 747 NE ARG A 50 15.937 4.378 -1.209 1.00 0.00 N ATOM 748 CZ ARG A 50 16.072 5.571 -1.782 1.00 0.00 C ATOM 749 NH1 ARG A 50 15.687 5.760 -3.038 1.00 0.00 N ATOM 750 NH2 ARG A 50 16.594 6.580 -1.098 1.00 0.00 N ATOM 0 H ARG A 50 13.263 0.242 -4.315 1.00 0.00 H new ATOM 0 HA ARG A 50 11.735 2.071 -2.557 1.00 0.00 H new ATOM 0 HB2 ARG A 50 14.355 2.244 -3.923 1.00 0.00 H new ATOM 0 HB3 ARG A 50 13.324 3.630 -4.217 1.00 0.00 H new ATOM 0 HG2 ARG A 50 13.629 4.436 -2.132 1.00 0.00 H new ATOM 0 HG3 ARG A 50 13.312 2.880 -1.390 1.00 0.00 H new ATOM 0 HD2 ARG A 50 15.527 2.327 -1.265 1.00 0.00 H new ATOM 0 HD3 ARG A 50 15.906 3.041 -2.819 1.00 0.00 H new ATOM 0 HE ARG A 50 16.245 4.272 -0.242 1.00 0.00 H new ATOM 0 HH11 ARG A 50 15.285 4.988 -3.570 1.00 0.00 H new ATOM 0 HH12 ARG A 50 15.793 6.677 -3.471 1.00 0.00 H new ATOM 0 HH21 ARG A 50 16.892 6.441 -0.132 1.00 0.00 H new ATOM 0 HH22 ARG A 50 16.697 7.495 -1.537 1.00 0.00 H new ATOM 764 N VAL A 51 10.370 3.095 -4.378 1.00 0.00 N ATOM 765 CA VAL A 51 9.407 3.516 -5.390 1.00 0.00 C ATOM 766 C VAL A 51 9.278 5.035 -5.409 1.00 0.00 C ATOM 767 O VAL A 51 9.355 5.684 -4.366 1.00 0.00 O ATOM 768 CB VAL A 51 8.019 2.894 -5.141 1.00 0.00 C ATOM 769 CG1 VAL A 51 7.129 3.066 -6.364 1.00 0.00 C ATOM 770 CG2 VAL A 51 8.147 1.424 -4.772 1.00 0.00 C ATOM 0 H VAL A 51 10.222 3.514 -3.460 1.00 0.00 H new ATOM 0 HA VAL A 51 9.779 3.168 -6.354 1.00 0.00 H new ATOM 0 HB VAL A 51 7.555 3.416 -4.304 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.153 2.621 -6.169 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.007 4.128 -6.579 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.589 2.573 -7.221 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.156 1.004 -4.600 1.00 0.00 H new ATOM 0 HG22 VAL A 51 8.633 0.886 -5.586 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.744 1.327 -3.865 1.00 0.00 H new ATOM 780 N GLU A 52 9.079 5.599 -6.596 1.00 0.00 N ATOM 781 CA GLU A 52 8.940 7.042 -6.743 1.00 0.00 C ATOM 782 C GLU A 52 7.647 7.375 -7.473 1.00 0.00 C ATOM 783 O GLU A 52 7.271 6.697 -8.429 1.00 0.00 O ATOM 784 CB GLU A 52 10.141 7.618 -7.493 1.00 0.00 C ATOM 785 CG GLU A 52 11.142 8.320 -6.589 1.00 0.00 C ATOM 786 CD GLU A 52 12.337 8.860 -7.350 1.00 0.00 C ATOM 787 OE1 GLU A 52 12.144 9.753 -8.202 1.00 0.00 O ATOM 788 OE2 GLU A 52 13.465 8.390 -7.095 1.00 0.00 O ATOM 0 H GLU A 52 9.010 5.078 -7.470 1.00 0.00 H new ATOM 0 HA GLU A 52 8.904 7.492 -5.751 1.00 0.00 H new ATOM 0 HB2 GLU A 52 10.647 6.813 -8.025 1.00 0.00 H new ATOM 0 HB3 GLU A 52 9.786 8.323 -8.245 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.645 9.140 -6.071 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.487 7.623 -5.825 1.00 0.00 H new ATOM 795 N ILE A 53 6.958 8.410 -7.009 1.00 0.00 N ATOM 796 CA ILE A 53 5.696 8.804 -7.617 1.00 0.00 C ATOM 797 C ILE A 53 5.553 10.317 -7.711 1.00 0.00 C ATOM 798 O ILE A 53 5.971 11.040 -6.813 1.00 0.00 O ATOM 799 CB ILE A 53 4.497 8.248 -6.822 1.00 0.00 C ATOM 800 CG1 ILE A 53 4.941 7.179 -5.818 1.00 0.00 C ATOM 801 CG2 ILE A 53 3.478 7.681 -7.780 1.00 0.00 C ATOM 802 CD1 ILE A 53 3.800 6.569 -5.032 1.00 0.00 C ATOM 0 H ILE A 53 7.250 8.987 -6.220 1.00 0.00 H new ATOM 0 HA ILE A 53 5.701 8.385 -8.623 1.00 0.00 H new ATOM 0 HB ILE A 53 4.048 9.064 -6.255 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.466 6.387 -6.353 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.654 7.621 -5.122 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.630 7.288 -7.219 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.135 8.467 -8.453 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.932 6.878 -8.361 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.192 5.821 -4.342 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.288 7.349 -4.469 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.097 6.096 -5.718 1.00 0.00 H new ATOM 814 N THR A 54 4.938 10.795 -8.793 1.00 0.00 N ATOM 815 CA THR A 54 4.723 12.228 -8.957 1.00 0.00 C ATOM 816 C THR A 54 3.239 12.549 -9.127 1.00 0.00 C ATOM 817 O THR A 54 2.629 12.209 -10.140 1.00 0.00 O ATOM 818 CB THR A 54 5.503 12.746 -10.168 1.00 0.00 C ATOM 819 OG1 THR A 54 6.714 12.030 -10.330 1.00 0.00 O ATOM 820 CG2 THR A 54 5.846 14.216 -10.075 1.00 0.00 C ATOM 0 H THR A 54 4.585 10.219 -9.557 1.00 0.00 H new ATOM 0 HA THR A 54 5.082 12.724 -8.055 1.00 0.00 H new ATOM 0 HB THR A 54 4.841 12.598 -11.021 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.197 12.376 -11.110 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.398 14.518 -10.965 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.928 14.800 -10.002 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.459 14.391 -9.191 1.00 0.00 H new ATOM 828 N SER A 55 2.677 13.232 -8.136 1.00 0.00 N ATOM 829 CA SER A 55 1.277 13.642 -8.166 1.00 0.00 C ATOM 830 C SER A 55 1.163 15.151 -8.020 1.00 0.00 C ATOM 831 O SER A 55 2.110 15.808 -7.600 1.00 0.00 O ATOM 832 CB SER A 55 0.480 12.945 -7.070 1.00 0.00 C ATOM 833 OG SER A 55 -0.047 11.719 -7.538 1.00 0.00 O ATOM 0 H SER A 55 3.176 13.516 -7.293 1.00 0.00 H new ATOM 0 HA SER A 55 0.860 13.349 -9.130 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.120 12.765 -6.206 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.332 13.592 -6.736 1.00 0.00 H new ATOM 0 HG SER A 55 -0.508 11.865 -8.390 1.00 0.00 H new ATOM 839 N GLU A 56 0.003 15.700 -8.352 1.00 0.00 N ATOM 840 CA GLU A 56 -0.207 17.136 -8.230 1.00 0.00 C ATOM 841 C GLU A 56 -1.602 17.440 -7.702 1.00 0.00 C ATOM 842 O GLU A 56 -2.223 18.428 -8.093 1.00 0.00 O ATOM 843 CB GLU A 56 0.006 17.819 -9.579 1.00 0.00 C ATOM 844 CG GLU A 56 1.288 17.388 -10.268 1.00 0.00 C ATOM 845 CD GLU A 56 1.713 18.348 -11.363 1.00 0.00 C ATOM 846 OE1 GLU A 56 1.475 19.564 -11.211 1.00 0.00 O ATOM 847 OE2 GLU A 56 2.286 17.883 -12.371 1.00 0.00 O ATOM 0 H GLU A 56 -0.800 15.179 -8.705 1.00 0.00 H new ATOM 0 HA GLU A 56 0.520 17.525 -7.517 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.841 17.599 -10.229 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.024 18.899 -9.434 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.085 17.310 -9.529 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.151 16.394 -10.694 1.00 0.00 H new ATOM 854 N ASP A 57 -2.093 16.582 -6.813 1.00 0.00 N ATOM 855 CA ASP A 57 -3.420 16.766 -6.239 1.00 0.00 C ATOM 856 C ASP A 57 -3.648 15.878 -5.011 1.00 0.00 C ATOM 857 O ASP A 57 -4.782 15.724 -4.560 1.00 0.00 O ATOM 858 CB ASP A 57 -4.482 16.474 -7.297 1.00 0.00 C ATOM 859 CG ASP A 57 -5.720 17.335 -7.129 1.00 0.00 C ATOM 860 OD1 ASP A 57 -6.173 17.503 -5.977 1.00 0.00 O ATOM 861 OD2 ASP A 57 -6.235 17.840 -8.149 1.00 0.00 O ATOM 0 H ASP A 57 -1.595 15.758 -6.477 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.497 17.802 -5.909 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.059 16.641 -8.288 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.764 15.423 -7.244 1.00 0.00 H new ATOM 866 N ARG A 58 -2.573 15.302 -4.468 1.00 0.00 N ATOM 867 CA ARG A 58 -2.674 14.438 -3.290 1.00 0.00 C ATOM 868 C ARG A 58 -3.460 13.166 -3.602 1.00 0.00 C ATOM 869 O ARG A 58 -2.911 12.064 -3.576 1.00 0.00 O ATOM 870 CB ARG A 58 -3.342 15.188 -2.135 1.00 0.00 C ATOM 871 CG ARG A 58 -2.790 16.587 -1.915 1.00 0.00 C ATOM 872 CD ARG A 58 -3.761 17.450 -1.126 1.00 0.00 C ATOM 873 NE ARG A 58 -3.266 18.812 -0.947 1.00 0.00 N ATOM 874 CZ ARG A 58 -2.365 19.160 -0.030 1.00 0.00 C ATOM 875 NH1 ARG A 58 -1.858 18.250 0.791 1.00 0.00 N ATOM 876 NH2 ARG A 58 -1.971 20.422 0.065 1.00 0.00 N ATOM 0 H ARG A 58 -1.624 15.418 -4.825 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.663 14.154 -2.999 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.413 15.256 -2.328 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.219 14.610 -1.219 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -1.841 16.525 -1.383 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -2.586 17.055 -2.878 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.721 17.479 -1.642 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.937 16.998 -0.150 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.632 19.540 -1.561 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.158 17.277 0.722 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.168 18.523 1.491 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.358 21.126 -0.564 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -1.281 20.689 0.767 1.00 0.00 H new ATOM 890 N VAL A 59 -4.749 13.325 -3.890 1.00 0.00 N ATOM 891 CA VAL A 59 -5.615 12.193 -4.200 1.00 0.00 C ATOM 892 C VAL A 59 -5.044 11.344 -5.332 1.00 0.00 C ATOM 893 O VAL A 59 -5.122 10.118 -5.298 1.00 0.00 O ATOM 894 CB VAL A 59 -7.029 12.660 -4.590 1.00 0.00 C ATOM 895 CG1 VAL A 59 -7.724 13.314 -3.405 1.00 0.00 C ATOM 896 CG2 VAL A 59 -6.969 13.614 -5.774 1.00 0.00 C ATOM 0 H VAL A 59 -5.217 14.231 -3.915 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.672 11.588 -3.295 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.610 11.786 -4.885 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.722 13.637 -3.701 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.803 12.597 -2.588 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.146 14.177 -3.075 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -7.978 13.933 -6.035 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.370 14.485 -5.509 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.516 13.108 -6.627 1.00 0.00 H new ATOM 906 N SER A 60 -4.466 12.000 -6.332 1.00 0.00 N ATOM 907 CA SER A 60 -3.882 11.293 -7.464 1.00 0.00 C ATOM 908 C SER A 60 -2.727 10.416 -7.005 1.00 0.00 C ATOM 909 O SER A 60 -2.550 9.303 -7.503 1.00 0.00 O ATOM 910 CB SER A 60 -3.405 12.282 -8.529 1.00 0.00 C ATOM 911 OG SER A 60 -4.411 13.234 -8.829 1.00 0.00 O ATOM 0 H SER A 60 -4.390 13.016 -6.381 1.00 0.00 H new ATOM 0 HA SER A 60 -4.650 10.656 -7.903 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.509 12.794 -8.179 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.130 11.741 -9.435 1.00 0.00 H new ATOM 0 HG SER A 60 -4.080 13.855 -9.511 1.00 0.00 H new ATOM 917 N LEU A 61 -1.948 10.905 -6.042 1.00 0.00 N ATOM 918 CA LEU A 61 -0.829 10.132 -5.522 1.00 0.00 C ATOM 919 C LEU A 61 -1.329 8.767 -5.071 1.00 0.00 C ATOM 920 O LEU A 61 -0.650 7.756 -5.247 1.00 0.00 O ATOM 921 CB LEU A 61 -0.146 10.872 -4.366 1.00 0.00 C ATOM 922 CG LEU A 61 1.297 10.440 -4.056 1.00 0.00 C ATOM 923 CD1 LEU A 61 1.439 8.927 -4.089 1.00 0.00 C ATOM 924 CD2 LEU A 61 2.273 11.080 -5.029 1.00 0.00 C ATOM 0 H LEU A 61 -2.071 11.822 -5.612 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.088 9.999 -6.310 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.146 11.938 -4.592 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.747 10.737 -3.467 1.00 0.00 H new ATOM 0 HG LEU A 61 1.533 10.782 -3.048 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.470 8.653 -3.866 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.777 8.483 -3.346 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.172 8.558 -5.079 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.287 10.760 -4.790 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.026 10.775 -6.046 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.207 12.165 -4.950 1.00 0.00 H new ATOM 936 N LEU A 62 -2.541 8.733 -4.521 1.00 0.00 N ATOM 937 CA LEU A 62 -3.119 7.471 -4.092 1.00 0.00 C ATOM 938 C LEU A 62 -3.292 6.557 -5.299 1.00 0.00 C ATOM 939 O LEU A 62 -2.905 5.389 -5.277 1.00 0.00 O ATOM 940 CB LEU A 62 -4.474 7.667 -3.389 1.00 0.00 C ATOM 941 CG LEU A 62 -4.426 8.014 -1.891 1.00 0.00 C ATOM 942 CD1 LEU A 62 -3.295 7.271 -1.182 1.00 0.00 C ATOM 943 CD2 LEU A 62 -4.266 9.515 -1.714 1.00 0.00 C ATOM 0 H LEU A 62 -3.129 9.552 -4.366 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.438 7.018 -3.371 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.015 8.460 -3.906 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.056 6.753 -3.509 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.365 7.696 -1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.290 7.539 -0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.446 6.196 -1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.341 7.547 -1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.233 9.755 -0.651 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.340 9.841 -2.189 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.110 10.028 -2.175 1.00 0.00 H new ATOM 955 N TYR A 63 -3.851 7.099 -6.366 1.00 0.00 N ATOM 956 CA TYR A 63 -4.049 6.328 -7.580 1.00 0.00 C ATOM 957 C TYR A 63 -2.732 5.694 -8.011 1.00 0.00 C ATOM 958 O TYR A 63 -2.709 4.598 -8.570 1.00 0.00 O ATOM 959 CB TYR A 63 -4.600 7.216 -8.698 1.00 0.00 C ATOM 960 CG TYR A 63 -6.109 7.316 -8.705 1.00 0.00 C ATOM 961 CD1 TYR A 63 -6.795 7.835 -7.614 1.00 0.00 C ATOM 962 CD2 TYR A 63 -6.846 6.893 -9.804 1.00 0.00 C ATOM 963 CE1 TYR A 63 -8.174 7.928 -7.617 1.00 0.00 C ATOM 964 CE2 TYR A 63 -8.225 6.984 -9.815 1.00 0.00 C ATOM 965 CZ TYR A 63 -8.884 7.502 -8.719 1.00 0.00 C ATOM 966 OH TYR A 63 -10.257 7.593 -8.726 1.00 0.00 O ATOM 0 H TYR A 63 -4.174 8.065 -6.417 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.775 5.540 -7.379 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.179 8.216 -8.597 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -4.266 6.825 -9.659 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -6.242 8.171 -6.750 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -6.333 6.487 -10.663 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -8.693 8.332 -6.760 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -8.784 6.651 -10.677 1.00 0.00 H new ATOM 0 HH TYR A 63 -10.603 7.251 -9.577 1.00 0.00 H new ATOM 976 N ASP A 64 -1.639 6.403 -7.752 1.00 0.00 N ATOM 977 CA ASP A 64 -0.314 5.927 -8.119 1.00 0.00 C ATOM 978 C ASP A 64 0.376 5.168 -6.977 1.00 0.00 C ATOM 979 O ASP A 64 1.374 4.490 -7.211 1.00 0.00 O ATOM 980 CB ASP A 64 0.558 7.101 -8.563 1.00 0.00 C ATOM 981 CG ASP A 64 -0.105 7.939 -9.638 1.00 0.00 C ATOM 982 OD1 ASP A 64 -1.272 8.337 -9.446 1.00 0.00 O ATOM 983 OD2 ASP A 64 0.543 8.195 -10.674 1.00 0.00 O ATOM 0 H ASP A 64 -1.647 7.311 -7.288 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.442 5.225 -8.943 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.781 7.730 -7.702 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.510 6.723 -8.936 1.00 0.00 H new ATOM 988 N TRP A 65 -0.136 5.274 -5.744 1.00 0.00 N ATOM 989 CA TRP A 65 0.494 4.567 -4.623 1.00 0.00 C ATOM 990 C TRP A 65 0.232 3.066 -4.716 1.00 0.00 C ATOM 991 O TRP A 65 1.158 2.255 -4.708 1.00 0.00 O ATOM 992 CB TRP A 65 -0.040 5.073 -3.264 1.00 0.00 C ATOM 993 CG TRP A 65 -0.750 3.993 -2.482 1.00 0.00 C ATOM 994 CD1 TRP A 65 -0.181 2.961 -1.789 1.00 0.00 C ATOM 995 CD2 TRP A 65 -2.163 3.820 -2.356 1.00 0.00 C ATOM 996 NE1 TRP A 65 -1.158 2.149 -1.267 1.00 0.00 N ATOM 997 CE2 TRP A 65 -2.385 2.664 -1.595 1.00 0.00 C ATOM 998 CE3 TRP A 65 -3.258 4.533 -2.816 1.00 0.00 C ATOM 999 CZ2 TRP A 65 -3.669 2.212 -1.293 1.00 0.00 C ATOM 1000 CZ3 TRP A 65 -4.522 4.095 -2.518 1.00 0.00 C ATOM 1001 CH2 TRP A 65 -4.722 2.944 -1.763 1.00 0.00 C ATOM 0 H TRP A 65 -0.959 5.825 -5.502 1.00 0.00 H new ATOM 0 HA TRP A 65 1.564 4.764 -4.685 1.00 0.00 H new ATOM 0 HB2 TRP A 65 0.790 5.459 -2.672 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -0.725 5.904 -3.433 1.00 0.00 H new ATOM 0 HD1 TRP A 65 0.881 2.807 -1.670 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -0.997 1.301 -0.724 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -3.117 5.427 -3.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -3.825 1.317 -0.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -5.376 4.652 -2.875 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -5.730 2.623 -1.544 1.00 0.00 H new ATOM 1012 N LEU A 66 -1.046 2.717 -4.782 1.00 0.00 N ATOM 1013 CA LEU A 66 -1.466 1.328 -4.850 1.00 0.00 C ATOM 1014 C LEU A 66 -1.223 0.734 -6.230 1.00 0.00 C ATOM 1015 O LEU A 66 -0.735 -0.389 -6.350 1.00 0.00 O ATOM 1016 CB LEU A 66 -2.935 1.210 -4.433 1.00 0.00 C ATOM 1017 CG LEU A 66 -3.226 0.137 -3.370 1.00 0.00 C ATOM 1018 CD1 LEU A 66 -4.721 0.015 -3.131 1.00 0.00 C ATOM 1019 CD2 LEU A 66 -2.641 -1.203 -3.792 1.00 0.00 C ATOM 0 H LEU A 66 -1.815 3.387 -4.790 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.861 0.748 -4.153 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.268 2.176 -4.053 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.532 0.993 -5.319 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.753 0.440 -2.436 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.908 -0.749 -2.376 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.113 0.971 -2.785 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.216 -0.265 -4.061 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.856 -1.951 -3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.085 -1.512 -4.738 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.562 -1.107 -3.912 1.00 0.00 H new ATOM 1031 N ASP A 67 -1.553 1.492 -7.275 1.00 0.00 N ATOM 1032 CA ASP A 67 -1.350 1.022 -8.641 1.00 0.00 C ATOM 1033 C ASP A 67 0.074 0.509 -8.798 1.00 0.00 C ATOM 1034 O ASP A 67 0.326 -0.467 -9.506 1.00 0.00 O ATOM 1035 CB ASP A 67 -1.622 2.142 -9.645 1.00 0.00 C ATOM 1036 CG ASP A 67 -1.597 1.653 -11.080 1.00 0.00 C ATOM 1037 OD1 ASP A 67 -0.807 0.733 -11.381 1.00 0.00 O ATOM 1038 OD2 ASP A 67 -2.369 2.189 -11.904 1.00 0.00 O ATOM 0 H ASP A 67 -1.958 2.425 -7.202 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.050 0.210 -8.840 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.594 2.588 -9.433 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.877 2.928 -9.519 1.00 0.00 H new ATOM 1043 N GLU A 68 0.998 1.163 -8.103 1.00 0.00 N ATOM 1044 CA GLU A 68 2.395 0.770 -8.128 1.00 0.00 C ATOM 1045 C GLU A 68 2.563 -0.584 -7.451 1.00 0.00 C ATOM 1046 O GLU A 68 3.256 -1.467 -7.957 1.00 0.00 O ATOM 1047 CB GLU A 68 3.246 1.819 -7.411 1.00 0.00 C ATOM 1048 CG GLU A 68 4.470 2.256 -8.200 1.00 0.00 C ATOM 1049 CD GLU A 68 4.552 3.762 -8.363 1.00 0.00 C ATOM 1050 OE1 GLU A 68 4.727 4.460 -7.343 1.00 0.00 O ATOM 1051 OE2 GLU A 68 4.441 4.241 -9.511 1.00 0.00 O ATOM 0 H GLU A 68 0.799 1.971 -7.514 1.00 0.00 H new ATOM 0 HA GLU A 68 2.724 0.695 -9.164 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.629 2.693 -7.201 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.568 1.418 -6.450 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.369 1.899 -7.697 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.449 1.788 -9.184 1.00 0.00 H new ATOM 1058 N LEU A 69 1.911 -0.736 -6.303 1.00 0.00 N ATOM 1059 CA LEU A 69 1.968 -1.975 -5.542 1.00 0.00 C ATOM 1060 C LEU A 69 1.288 -3.111 -6.300 1.00 0.00 C ATOM 1061 O LEU A 69 1.678 -4.270 -6.181 1.00 0.00 O ATOM 1062 CB LEU A 69 1.313 -1.790 -4.171 1.00 0.00 C ATOM 1063 CG LEU A 69 2.291 -1.658 -3.001 1.00 0.00 C ATOM 1064 CD1 LEU A 69 2.539 -0.193 -2.677 1.00 0.00 C ATOM 1065 CD2 LEU A 69 1.765 -2.397 -1.780 1.00 0.00 C ATOM 0 H LEU A 69 1.334 -0.010 -5.879 1.00 0.00 H new ATOM 0 HA LEU A 69 3.017 -2.237 -5.399 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.685 -0.900 -4.202 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.655 -2.638 -3.982 1.00 0.00 H new ATOM 0 HG LEU A 69 3.240 -2.110 -3.291 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.237 -0.118 -1.843 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.961 0.306 -3.549 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.597 0.284 -2.406 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.473 -2.292 -0.958 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.803 -1.976 -1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.641 -3.453 -2.019 1.00 0.00 H new ATOM 1077 N LEU A 70 0.263 -2.767 -7.076 1.00 0.00 N ATOM 1078 CA LEU A 70 -0.478 -3.759 -7.849 1.00 0.00 C ATOM 1079 C LEU A 70 0.463 -4.593 -8.715 1.00 0.00 C ATOM 1080 O LEU A 70 0.437 -5.824 -8.669 1.00 0.00 O ATOM 1081 CB LEU A 70 -1.521 -3.070 -8.732 1.00 0.00 C ATOM 1082 CG LEU A 70 -2.760 -3.911 -9.046 1.00 0.00 C ATOM 1083 CD1 LEU A 70 -3.879 -3.599 -8.065 1.00 0.00 C ATOM 1084 CD2 LEU A 70 -3.220 -3.669 -10.476 1.00 0.00 C ATOM 0 H LEU A 70 -0.073 -1.810 -7.186 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.982 -4.424 -7.148 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.840 -2.150 -8.242 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.048 -2.783 -9.671 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.497 -4.964 -8.943 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.752 -4.206 -8.304 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.547 -3.823 -7.051 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.141 -2.543 -8.136 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.102 -4.275 -10.682 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.466 -2.615 -10.606 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.422 -3.943 -11.166 1.00 0.00 H new ATOM 1096 N PHE A 71 1.296 -3.917 -9.498 1.00 0.00 N ATOM 1097 CA PHE A 71 2.248 -4.598 -10.369 1.00 0.00 C ATOM 1098 C PHE A 71 3.369 -5.239 -9.555 1.00 0.00 C ATOM 1099 O PHE A 71 3.760 -6.378 -9.805 1.00 0.00 O ATOM 1100 CB PHE A 71 2.836 -3.615 -11.384 1.00 0.00 C ATOM 1101 CG PHE A 71 2.927 -4.172 -12.777 1.00 0.00 C ATOM 1102 CD1 PHE A 71 1.789 -4.322 -13.553 1.00 0.00 C ATOM 1103 CD2 PHE A 71 4.150 -4.545 -13.309 1.00 0.00 C ATOM 1104 CE1 PHE A 71 1.870 -4.834 -14.834 1.00 0.00 C ATOM 1105 CE2 PHE A 71 4.238 -5.058 -14.589 1.00 0.00 C ATOM 1106 CZ PHE A 71 3.096 -5.202 -15.353 1.00 0.00 C ATOM 0 H PHE A 71 1.332 -2.899 -9.548 1.00 0.00 H new ATOM 0 HA PHE A 71 1.716 -5.385 -10.903 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.223 -2.714 -11.401 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.832 -3.318 -11.055 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.828 -4.036 -13.152 1.00 0.00 H new ATOM 0 HD2 PHE A 71 5.046 -4.434 -12.716 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.976 -4.946 -15.429 1.00 0.00 H new ATOM 0 HE2 PHE A 71 5.198 -5.346 -14.992 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.162 -5.602 -16.354 1.00 0.00 H new ATOM 1116 N ILE A 72 3.878 -4.493 -8.580 1.00 0.00 N ATOM 1117 CA ILE A 72 4.954 -4.977 -7.723 1.00 0.00 C ATOM 1118 C ILE A 72 4.523 -6.208 -6.931 1.00 0.00 C ATOM 1119 O ILE A 72 5.332 -7.096 -6.659 1.00 0.00 O ATOM 1120 CB ILE A 72 5.429 -3.882 -6.743 1.00 0.00 C ATOM 1121 CG1 ILE A 72 5.843 -2.627 -7.512 1.00 0.00 C ATOM 1122 CG2 ILE A 72 6.584 -4.391 -5.888 1.00 0.00 C ATOM 1123 CD1 ILE A 72 5.809 -1.366 -6.676 1.00 0.00 C ATOM 0 H ILE A 72 3.561 -3.548 -8.363 1.00 0.00 H new ATOM 0 HA ILE A 72 5.781 -5.249 -8.379 1.00 0.00 H new ATOM 0 HB ILE A 72 4.601 -3.627 -6.081 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.851 -2.767 -7.903 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.182 -2.502 -8.370 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.904 -3.605 -5.204 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.258 -5.259 -5.316 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.417 -4.673 -6.532 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.114 -0.516 -7.287 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.797 -1.202 -6.306 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.491 -1.470 -5.832 1.00 0.00 H new ATOM 1135 N HIS A 73 3.250 -6.251 -6.549 1.00 0.00 N ATOM 1136 CA HIS A 73 2.721 -7.371 -5.773 1.00 0.00 C ATOM 1137 C HIS A 73 3.085 -8.707 -6.412 1.00 0.00 C ATOM 1138 O HIS A 73 3.650 -9.579 -5.758 1.00 0.00 O ATOM 1139 CB HIS A 73 1.200 -7.251 -5.641 1.00 0.00 C ATOM 1140 CG HIS A 73 0.726 -7.189 -4.222 1.00 0.00 C ATOM 1141 ND1 HIS A 73 1.425 -7.740 -3.169 1.00 0.00 N ATOM 1142 CD2 HIS A 73 -0.386 -6.633 -3.683 1.00 0.00 C ATOM 1143 CE1 HIS A 73 0.765 -7.528 -2.045 1.00 0.00 C ATOM 1144 NE2 HIS A 73 -0.336 -6.859 -2.330 1.00 0.00 N ATOM 0 H HIS A 73 2.566 -5.525 -6.763 1.00 0.00 H new ATOM 0 HA HIS A 73 3.172 -7.335 -4.781 1.00 0.00 H new ATOM 0 HB2 HIS A 73 0.867 -6.356 -6.166 1.00 0.00 H new ATOM 0 HB3 HIS A 73 0.732 -8.103 -6.135 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -1.165 -6.110 -4.218 1.00 0.00 H new ATOM 0 HE1 HIS A 73 1.074 -7.848 -1.061 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -1.037 -6.558 -1.653 1.00 0.00 H new ATOM 1153 N ASP A 74 2.771 -8.861 -7.693 1.00 0.00 N ATOM 1154 CA ASP A 74 3.087 -10.095 -8.401 1.00 0.00 C ATOM 1155 C ASP A 74 4.574 -10.177 -8.683 1.00 0.00 C ATOM 1156 O ASP A 74 5.156 -11.261 -8.680 1.00 0.00 O ATOM 1157 CB ASP A 74 2.289 -10.199 -9.701 1.00 0.00 C ATOM 1158 CG ASP A 74 1.896 -11.627 -10.026 1.00 0.00 C ATOM 1159 OD1 ASP A 74 0.992 -12.163 -9.350 1.00 0.00 O ATOM 1160 OD2 ASP A 74 2.492 -12.209 -10.957 1.00 0.00 O ATOM 0 H ASP A 74 2.302 -8.153 -8.258 1.00 0.00 H new ATOM 0 HA ASP A 74 2.807 -10.934 -7.764 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.391 -9.587 -9.622 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.881 -9.792 -10.521 1.00 0.00 H new ATOM 1165 N THR A 75 5.197 -9.025 -8.896 1.00 0.00 N ATOM 1166 CA THR A 75 6.627 -8.992 -9.140 1.00 0.00 C ATOM 1167 C THR A 75 7.354 -9.487 -7.901 1.00 0.00 C ATOM 1168 O THR A 75 8.513 -9.898 -7.964 1.00 0.00 O ATOM 1169 CB THR A 75 7.085 -7.578 -9.501 1.00 0.00 C ATOM 1170 OG1 THR A 75 6.340 -7.072 -10.595 1.00 0.00 O ATOM 1171 CG2 THR A 75 8.551 -7.500 -9.870 1.00 0.00 C ATOM 0 H THR A 75 4.739 -8.114 -8.904 1.00 0.00 H new ATOM 0 HA THR A 75 6.861 -9.642 -9.983 1.00 0.00 H new ATOM 0 HB THR A 75 6.920 -6.984 -8.602 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.437 -6.836 -10.295 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.810 -6.470 -10.115 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.156 -7.836 -9.028 1.00 0.00 H new ATOM 0 HG23 THR A 75 8.743 -8.138 -10.733 1.00 0.00 H new ATOM 1179 N GLU A 76 6.646 -9.466 -6.774 1.00 0.00 N ATOM 1180 CA GLU A 76 7.194 -9.935 -5.519 1.00 0.00 C ATOM 1181 C GLU A 76 6.094 -10.130 -4.493 1.00 0.00 C ATOM 1182 O GLU A 76 5.970 -9.366 -3.536 1.00 0.00 O ATOM 1183 CB GLU A 76 8.259 -8.969 -4.994 1.00 0.00 C ATOM 1184 CG GLU A 76 9.681 -9.448 -5.232 1.00 0.00 C ATOM 1185 CD GLU A 76 10.639 -8.308 -5.523 1.00 0.00 C ATOM 1186 OE1 GLU A 76 10.681 -7.350 -4.723 1.00 0.00 O ATOM 1187 OE2 GLU A 76 11.346 -8.375 -6.550 1.00 0.00 O ATOM 0 H GLU A 76 5.686 -9.126 -6.712 1.00 0.00 H new ATOM 0 HA GLU A 76 7.670 -10.899 -5.697 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.126 -7.999 -5.473 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.108 -8.820 -3.925 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.028 -9.995 -4.355 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.690 -10.148 -6.068 1.00 0.00 H new ATOM 1194 N PHE A 77 5.298 -11.172 -4.703 1.00 0.00 N ATOM 1195 CA PHE A 77 4.205 -11.493 -3.799 1.00 0.00 C ATOM 1196 C PHE A 77 4.733 -11.711 -2.390 1.00 0.00 C ATOM 1197 O PHE A 77 5.137 -12.812 -2.036 1.00 0.00 O ATOM 1198 CB PHE A 77 3.463 -12.740 -4.281 1.00 0.00 C ATOM 1199 CG PHE A 77 1.975 -12.666 -4.082 1.00 0.00 C ATOM 1200 CD1 PHE A 77 1.173 -11.996 -4.991 1.00 0.00 C ATOM 1201 CD2 PHE A 77 1.380 -13.268 -2.984 1.00 0.00 C ATOM 1202 CE1 PHE A 77 -0.195 -11.928 -4.811 1.00 0.00 C ATOM 1203 CE2 PHE A 77 0.012 -13.202 -2.798 1.00 0.00 C ATOM 1204 CZ PHE A 77 -0.776 -12.531 -3.712 1.00 0.00 C ATOM 0 H PHE A 77 5.391 -11.809 -5.494 1.00 0.00 H new ATOM 0 HA PHE A 77 3.508 -10.655 -3.788 1.00 0.00 H new ATOM 0 HB2 PHE A 77 3.673 -12.892 -5.340 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.850 -13.611 -3.751 1.00 0.00 H new ATOM 0 HD1 PHE A 77 1.622 -11.521 -5.851 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.992 -13.794 -2.266 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.809 -11.404 -5.528 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.440 -13.675 -1.939 1.00 0.00 H new ATOM 0 HZ PHE A 77 -1.845 -12.478 -3.568 1.00 0.00 H new ATOM 1214 N ILE A 78 4.735 -10.649 -1.596 1.00 0.00 N ATOM 1215 CA ILE A 78 5.226 -10.723 -0.226 1.00 0.00 C ATOM 1216 C ILE A 78 4.094 -10.536 0.778 1.00 0.00 C ATOM 1217 O ILE A 78 3.228 -9.678 0.602 1.00 0.00 O ATOM 1218 CB ILE A 78 6.316 -9.663 0.030 1.00 0.00 C ATOM 1219 CG1 ILE A 78 5.727 -8.254 -0.072 1.00 0.00 C ATOM 1220 CG2 ILE A 78 7.458 -9.835 -0.958 1.00 0.00 C ATOM 1221 CD1 ILE A 78 6.733 -7.158 0.203 1.00 0.00 C ATOM 0 H ILE A 78 4.402 -9.726 -1.876 1.00 0.00 H new ATOM 0 HA ILE A 78 5.656 -11.716 -0.093 1.00 0.00 H new ATOM 0 HB ILE A 78 6.705 -9.800 1.039 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.312 -8.114 -1.070 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.900 -8.163 0.632 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.221 -9.081 -0.767 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.892 -10.828 -0.843 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.081 -9.720 -1.974 1.00 0.00 H new ATOM 0 HD11 ILE A 78 6.247 -6.187 0.113 1.00 0.00 H new ATOM 0 HD12 ILE A 78 7.130 -7.273 1.212 1.00 0.00 H new ATOM 0 HD13 ILE A 78 7.548 -7.223 -0.517 1.00 0.00 H new ATOM 1233 N LEU A 79 4.102 -11.355 1.823 1.00 0.00 N ATOM 1234 CA LEU A 79 3.068 -11.295 2.853 1.00 0.00 C ATOM 1235 C LEU A 79 3.117 -9.970 3.612 1.00 0.00 C ATOM 1236 O LEU A 79 2.271 -9.099 3.408 1.00 0.00 O ATOM 1237 CB LEU A 79 3.211 -12.470 3.830 1.00 0.00 C ATOM 1238 CG LEU A 79 3.535 -13.834 3.201 1.00 0.00 C ATOM 1239 CD1 LEU A 79 2.984 -13.939 1.785 1.00 0.00 C ATOM 1240 CD2 LEU A 79 5.038 -14.079 3.210 1.00 0.00 C ATOM 0 H LEU A 79 4.813 -12.069 1.981 1.00 0.00 H new ATOM 0 HA LEU A 79 2.101 -11.365 2.356 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.996 -12.227 4.547 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.282 -12.563 4.393 1.00 0.00 H new ATOM 0 HG LEU A 79 3.051 -14.603 3.803 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.231 -14.916 1.370 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.901 -13.817 1.806 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.425 -13.159 1.164 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.251 -15.049 2.761 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.538 -13.297 2.638 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.403 -14.066 4.237 1.00 0.00 H new ATOM 1252 N PHE A 80 4.107 -9.821 4.490 1.00 0.00 N ATOM 1253 CA PHE A 80 4.251 -8.598 5.273 1.00 0.00 C ATOM 1254 C PHE A 80 5.606 -7.949 5.015 1.00 0.00 C ATOM 1255 O PHE A 80 6.605 -8.633 4.796 1.00 0.00 O ATOM 1256 CB PHE A 80 4.083 -8.893 6.763 1.00 0.00 C ATOM 1257 CG PHE A 80 3.685 -7.691 7.572 1.00 0.00 C ATOM 1258 CD1 PHE A 80 4.579 -6.655 7.786 1.00 0.00 C ATOM 1259 CD2 PHE A 80 2.413 -7.597 8.117 1.00 0.00 C ATOM 1260 CE1 PHE A 80 4.215 -5.549 8.531 1.00 0.00 C ATOM 1261 CE2 PHE A 80 2.044 -6.494 8.862 1.00 0.00 C ATOM 1262 CZ PHE A 80 2.946 -5.469 9.069 1.00 0.00 C ATOM 0 H PHE A 80 4.818 -10.529 4.676 1.00 0.00 H new ATOM 0 HA PHE A 80 3.470 -7.903 4.964 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.330 -9.671 6.888 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.020 -9.290 7.154 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.572 -6.712 7.366 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.703 -8.395 7.957 1.00 0.00 H new ATOM 0 HE1 PHE A 80 4.922 -4.749 8.692 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.051 -6.433 9.282 1.00 0.00 H new ATOM 0 HZ PHE A 80 2.659 -4.606 9.651 1.00 0.00 H new ATOM 1272 N SER A 81 5.627 -6.622 5.027 1.00 0.00 N ATOM 1273 CA SER A 81 6.851 -5.871 4.778 1.00 0.00 C ATOM 1274 C SER A 81 6.797 -4.498 5.442 1.00 0.00 C ATOM 1275 O SER A 81 5.725 -4.024 5.818 1.00 0.00 O ATOM 1276 CB SER A 81 7.077 -5.725 3.274 1.00 0.00 C ATOM 1277 OG SER A 81 5.979 -5.078 2.654 1.00 0.00 O ATOM 0 H SER A 81 4.807 -6.042 5.207 1.00 0.00 H new ATOM 0 HA SER A 81 7.685 -6.422 5.212 1.00 0.00 H new ATOM 0 HB2 SER A 81 7.988 -5.155 3.094 1.00 0.00 H new ATOM 0 HB3 SER A 81 7.223 -6.709 2.828 1.00 0.00 H new ATOM 0 HG SER A 81 5.343 -5.750 2.332 1.00 0.00 H new ATOM 1283 N LYS A 82 7.958 -3.864 5.587 1.00 0.00 N ATOM 1284 CA LYS A 82 8.030 -2.547 6.211 1.00 0.00 C ATOM 1285 C LYS A 82 7.654 -1.465 5.201 1.00 0.00 C ATOM 1286 O LYS A 82 7.936 -1.591 4.010 1.00 0.00 O ATOM 1287 CB LYS A 82 9.438 -2.294 6.757 1.00 0.00 C ATOM 1288 CG LYS A 82 9.483 -2.125 8.267 1.00 0.00 C ATOM 1289 CD LYS A 82 10.912 -2.132 8.785 1.00 0.00 C ATOM 1290 CE LYS A 82 11.085 -1.176 9.955 1.00 0.00 C ATOM 1291 NZ LYS A 82 11.106 0.245 9.514 1.00 0.00 N ATOM 0 H LYS A 82 8.856 -4.239 5.283 1.00 0.00 H new ATOM 0 HA LYS A 82 7.323 -2.514 7.040 1.00 0.00 H new ATOM 0 HB2 LYS A 82 10.084 -3.125 6.473 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.846 -1.399 6.287 1.00 0.00 H new ATOM 0 HG2 LYS A 82 8.999 -1.189 8.544 1.00 0.00 H new ATOM 0 HG3 LYS A 82 8.919 -2.928 8.741 1.00 0.00 H new ATOM 0 HD2 LYS A 82 11.183 -3.141 9.095 1.00 0.00 H new ATOM 0 HD3 LYS A 82 11.593 -1.852 7.981 1.00 0.00 H new ATOM 0 HE2 LYS A 82 10.273 -1.323 10.667 1.00 0.00 H new ATOM 0 HE3 LYS A 82 12.013 -1.407 10.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 11.409 0.849 10.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 11.770 0.353 8.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 10.153 0.528 9.208 1.00 0.00 H new ATOM 1305 N PHE A 83 6.988 -0.420 5.681 1.00 0.00 N ATOM 1306 CA PHE A 83 6.542 0.664 4.813 1.00 0.00 C ATOM 1307 C PHE A 83 7.137 2.009 5.212 1.00 0.00 C ATOM 1308 O PHE A 83 6.952 2.486 6.332 1.00 0.00 O ATOM 1309 CB PHE A 83 5.015 0.741 4.842 1.00 0.00 C ATOM 1310 CG PHE A 83 4.344 -0.565 4.523 1.00 0.00 C ATOM 1311 CD1 PHE A 83 4.041 -1.468 5.529 1.00 0.00 C ATOM 1312 CD2 PHE A 83 4.018 -0.890 3.216 1.00 0.00 C ATOM 1313 CE1 PHE A 83 3.425 -2.670 5.239 1.00 0.00 C ATOM 1314 CE2 PHE A 83 3.402 -2.091 2.918 1.00 0.00 C ATOM 1315 CZ PHE A 83 3.104 -2.982 3.931 1.00 0.00 C ATOM 0 H PHE A 83 6.745 -0.301 6.665 1.00 0.00 H new ATOM 0 HA PHE A 83 6.890 0.445 3.804 1.00 0.00 H new ATOM 0 HB2 PHE A 83 4.694 1.074 5.829 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.683 1.495 4.128 1.00 0.00 H new ATOM 0 HD1 PHE A 83 4.289 -1.229 6.553 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.248 -0.197 2.421 1.00 0.00 H new ATOM 0 HE1 PHE A 83 3.195 -3.365 6.033 1.00 0.00 H new ATOM 0 HE2 PHE A 83 3.154 -2.332 1.895 1.00 0.00 H new ATOM 0 HZ PHE A 83 2.621 -3.920 3.701 1.00 0.00 H new ATOM 1325 N LYS A 84 7.820 2.626 4.256 1.00 0.00 N ATOM 1326 CA LYS A 84 8.423 3.938 4.442 1.00 0.00 C ATOM 1327 C LYS A 84 8.044 4.810 3.248 1.00 0.00 C ATOM 1328 O LYS A 84 8.141 4.366 2.107 1.00 0.00 O ATOM 1329 CB LYS A 84 9.948 3.818 4.586 1.00 0.00 C ATOM 1330 CG LYS A 84 10.741 4.534 3.502 1.00 0.00 C ATOM 1331 CD LYS A 84 12.235 4.486 3.779 1.00 0.00 C ATOM 1332 CE LYS A 84 12.960 5.649 3.122 1.00 0.00 C ATOM 1333 NZ LYS A 84 14.414 5.374 2.958 1.00 0.00 N ATOM 0 H LYS A 84 7.971 2.229 3.329 1.00 0.00 H new ATOM 0 HA LYS A 84 8.052 4.396 5.359 1.00 0.00 H new ATOM 0 HB2 LYS A 84 10.241 4.217 5.557 1.00 0.00 H new ATOM 0 HB3 LYS A 84 10.219 2.762 4.580 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.534 4.074 2.535 1.00 0.00 H new ATOM 0 HG3 LYS A 84 10.415 5.572 3.437 1.00 0.00 H new ATOM 0 HD2 LYS A 84 12.408 4.509 4.855 1.00 0.00 H new ATOM 0 HD3 LYS A 84 12.645 3.545 3.411 1.00 0.00 H new ATOM 0 HE2 LYS A 84 12.516 5.850 2.147 1.00 0.00 H new ATOM 0 HE3 LYS A 84 12.826 6.548 3.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.873 6.191 2.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 14.843 5.207 3.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 14.543 4.531 2.362 1.00 0.00 H new ATOM 1347 N VAL A 85 7.580 6.027 3.506 1.00 0.00 N ATOM 1348 CA VAL A 85 7.156 6.910 2.422 1.00 0.00 C ATOM 1349 C VAL A 85 7.757 8.302 2.541 1.00 0.00 C ATOM 1350 O VAL A 85 8.049 8.789 3.632 1.00 0.00 O ATOM 1351 CB VAL A 85 5.617 6.987 2.333 1.00 0.00 C ATOM 1352 CG1 VAL A 85 4.986 6.705 3.682 1.00 0.00 C ATOM 1353 CG2 VAL A 85 5.126 8.317 1.802 1.00 0.00 C ATOM 0 H VAL A 85 7.488 6.422 4.442 1.00 0.00 H new ATOM 0 HA VAL A 85 7.534 6.473 1.498 1.00 0.00 H new ATOM 0 HB VAL A 85 5.311 6.220 1.621 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.901 6.765 3.596 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.269 5.706 4.015 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.333 7.441 4.407 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.037 8.313 1.762 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.462 9.118 2.461 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.526 8.479 0.801 1.00 0.00 H new ATOM 1363 N LYS A 86 7.963 8.910 1.383 1.00 0.00 N ATOM 1364 CA LYS A 86 8.559 10.225 1.284 1.00 0.00 C ATOM 1365 C LYS A 86 7.731 11.148 0.390 1.00 0.00 C ATOM 1366 O LYS A 86 7.580 10.880 -0.795 1.00 0.00 O ATOM 1367 CB LYS A 86 9.951 10.057 0.681 1.00 0.00 C ATOM 1368 CG LYS A 86 10.983 11.034 1.224 1.00 0.00 C ATOM 1369 CD LYS A 86 11.876 10.379 2.264 1.00 0.00 C ATOM 1370 CE LYS A 86 11.121 10.105 3.555 1.00 0.00 C ATOM 1371 NZ LYS A 86 10.555 11.350 4.142 1.00 0.00 N ATOM 0 H LYS A 86 7.718 8.499 0.482 1.00 0.00 H new ATOM 0 HA LYS A 86 8.604 10.676 2.275 1.00 0.00 H new ATOM 0 HB2 LYS A 86 10.296 9.040 0.867 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.884 10.178 -0.400 1.00 0.00 H new ATOM 0 HG2 LYS A 86 11.594 11.412 0.404 1.00 0.00 H new ATOM 0 HG3 LYS A 86 10.476 11.892 1.666 1.00 0.00 H new ATOM 0 HD2 LYS A 86 12.272 9.444 1.868 1.00 0.00 H new ATOM 0 HD3 LYS A 86 12.729 11.025 2.471 1.00 0.00 H new ATOM 0 HE2 LYS A 86 10.316 9.396 3.361 1.00 0.00 H new ATOM 0 HE3 LYS A 86 11.792 9.636 4.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 10.771 11.384 5.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 10.974 12.177 3.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 9.524 11.360 4.007 1.00 0.00 H new ATOM 1385 N ILE A 87 7.225 12.250 0.929 1.00 0.00 N ATOM 1386 CA ILE A 87 6.455 13.186 0.111 1.00 0.00 C ATOM 1387 C ILE A 87 7.223 14.488 -0.084 1.00 0.00 C ATOM 1388 O ILE A 87 7.638 15.124 0.885 1.00 0.00 O ATOM 1389 CB ILE A 87 5.070 13.512 0.706 1.00 0.00 C ATOM 1390 CG1 ILE A 87 4.277 12.233 0.991 1.00 0.00 C ATOM 1391 CG2 ILE A 87 4.303 14.401 -0.261 1.00 0.00 C ATOM 1392 CD1 ILE A 87 2.831 12.494 1.374 1.00 0.00 C ATOM 0 H ILE A 87 7.329 12.517 1.908 1.00 0.00 H new ATOM 0 HA ILE A 87 6.300 12.688 -0.846 1.00 0.00 H new ATOM 0 HB ILE A 87 5.210 14.035 1.652 1.00 0.00 H new ATOM 0 HG12 ILE A 87 4.302 11.594 0.108 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.765 11.683 1.796 1.00 0.00 H new ATOM 0 HG21 ILE A 87 3.323 14.633 0.157 1.00 0.00 H new ATOM 0 HG22 ILE A 87 4.857 15.326 -0.423 1.00 0.00 H new ATOM 0 HG23 ILE A 87 4.178 13.882 -1.211 1.00 0.00 H new ATOM 0 HD11 ILE A 87 2.328 11.546 1.562 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.798 13.107 2.275 1.00 0.00 H new ATOM 0 HD13 ILE A 87 2.328 13.017 0.561 1.00 0.00 H new ATOM 1404 N ASP A 88 7.416 14.881 -1.341 1.00 0.00 N ATOM 1405 CA ASP A 88 8.138 16.103 -1.646 1.00 0.00 C ATOM 1406 C ASP A 88 7.396 16.946 -2.676 1.00 0.00 C ATOM 1407 O ASP A 88 7.146 16.500 -3.795 1.00 0.00 O ATOM 1408 CB ASP A 88 9.530 15.762 -2.176 1.00 0.00 C ATOM 1409 CG ASP A 88 10.438 15.198 -1.101 1.00 0.00 C ATOM 1410 OD1 ASP A 88 10.706 15.917 -0.114 1.00 0.00 O ATOM 1411 OD2 ASP A 88 10.882 14.040 -1.244 1.00 0.00 O ATOM 0 H ASP A 88 7.082 14.370 -2.158 1.00 0.00 H new ATOM 0 HA ASP A 88 8.221 16.682 -0.726 1.00 0.00 H new ATOM 0 HB2 ASP A 88 9.440 15.039 -2.987 1.00 0.00 H new ATOM 0 HB3 ASP A 88 9.985 16.659 -2.597 1.00 0.00 H new ATOM 1416 N GLU A 89 7.082 18.181 -2.303 1.00 0.00 N ATOM 1417 CA GLU A 89 6.410 19.101 -3.209 1.00 0.00 C ATOM 1418 C GLU A 89 7.432 19.672 -4.169 1.00 0.00 C ATOM 1419 O GLU A 89 8.360 20.373 -3.765 1.00 0.00 O ATOM 1420 CB GLU A 89 5.711 20.221 -2.437 1.00 0.00 C ATOM 1421 CG GLU A 89 5.049 19.758 -1.148 1.00 0.00 C ATOM 1422 CD GLU A 89 4.440 20.903 -0.363 1.00 0.00 C ATOM 1423 OE1 GLU A 89 3.287 21.281 -0.662 1.00 0.00 O ATOM 1424 OE2 GLU A 89 5.115 21.421 0.550 1.00 0.00 O ATOM 0 H GLU A 89 7.282 18.567 -1.380 1.00 0.00 H new ATOM 0 HA GLU A 89 5.643 18.562 -3.765 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.439 20.997 -2.202 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.957 20.676 -3.079 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.273 19.030 -1.383 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.786 19.248 -0.528 1.00 0.00 H new ATOM 1431 N LYS A 90 7.272 19.341 -5.436 1.00 0.00 N ATOM 1432 CA LYS A 90 8.198 19.793 -6.452 1.00 0.00 C ATOM 1433 C LYS A 90 7.981 21.256 -6.769 1.00 0.00 C ATOM 1434 O LYS A 90 7.262 21.957 -6.056 1.00 0.00 O ATOM 1435 CB LYS A 90 8.060 18.939 -7.716 1.00 0.00 C ATOM 1436 CG LYS A 90 8.568 17.515 -7.546 1.00 0.00 C ATOM 1437 CD LYS A 90 9.841 17.473 -6.714 1.00 0.00 C ATOM 1438 CE LYS A 90 10.813 16.424 -7.231 1.00 0.00 C ATOM 1439 NZ LYS A 90 11.868 17.022 -8.096 1.00 0.00 N ATOM 0 H LYS A 90 6.509 18.761 -5.785 1.00 0.00 H new ATOM 0 HA LYS A 90 9.211 19.680 -6.066 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.011 18.909 -8.012 1.00 0.00 H new ATOM 0 HB3 LYS A 90 8.607 19.417 -8.529 1.00 0.00 H new ATOM 0 HG2 LYS A 90 7.799 16.908 -7.068 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.757 17.076 -8.525 1.00 0.00 H new ATOM 0 HD2 LYS A 90 10.319 18.452 -6.730 1.00 0.00 H new ATOM 0 HD3 LYS A 90 9.591 17.257 -5.675 1.00 0.00 H new ATOM 0 HE2 LYS A 90 11.280 15.915 -6.388 1.00 0.00 H new ATOM 0 HE3 LYS A 90 10.266 15.669 -7.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 12.510 16.274 -8.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 11.424 17.486 -8.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 12.407 17.724 -7.551 1.00 0.00 H new ATOM 1453 N ASP A 91 8.625 21.722 -7.826 1.00 0.00 N ATOM 1454 CA ASP A 91 8.524 23.113 -8.223 1.00 0.00 C ATOM 1455 C ASP A 91 7.079 23.541 -8.505 1.00 0.00 C ATOM 1456 O ASP A 91 6.844 24.650 -8.984 1.00 0.00 O ATOM 1457 CB ASP A 91 9.386 23.370 -9.458 1.00 0.00 C ATOM 1458 CG ASP A 91 10.067 24.723 -9.418 1.00 0.00 C ATOM 1459 OD1 ASP A 91 10.614 25.082 -8.355 1.00 0.00 O ATOM 1460 OD2 ASP A 91 10.052 25.425 -10.452 1.00 0.00 O ATOM 0 H ASP A 91 9.224 21.154 -8.425 1.00 0.00 H new ATOM 0 HA ASP A 91 8.884 23.710 -7.385 1.00 0.00 H new ATOM 0 HB2 ASP A 91 10.142 22.589 -9.539 1.00 0.00 H new ATOM 0 HB3 ASP A 91 8.764 23.306 -10.351 1.00 0.00 H new ATOM 1465 N ASP A 92 6.111 22.671 -8.211 1.00 0.00 N ATOM 1466 CA ASP A 92 4.704 22.980 -8.443 1.00 0.00 C ATOM 1467 C ASP A 92 3.851 21.754 -8.164 1.00 0.00 C ATOM 1468 O ASP A 92 2.744 21.856 -7.635 1.00 0.00 O ATOM 1469 CB ASP A 92 4.479 23.452 -9.883 1.00 0.00 C ATOM 1470 CG ASP A 92 5.112 22.524 -10.902 1.00 0.00 C ATOM 1471 OD1 ASP A 92 6.338 22.303 -10.825 1.00 0.00 O ATOM 1472 OD2 ASP A 92 4.379 22.018 -11.778 1.00 0.00 O ATOM 0 H ASP A 92 6.278 21.747 -7.812 1.00 0.00 H new ATOM 0 HA ASP A 92 4.414 23.784 -7.767 1.00 0.00 H new ATOM 0 HB2 ASP A 92 3.409 23.523 -10.076 1.00 0.00 H new ATOM 0 HB3 ASP A 92 4.891 24.454 -10.003 1.00 0.00 H new ATOM 1477 N GLY A 93 4.386 20.592 -8.517 1.00 0.00 N ATOM 1478 CA GLY A 93 3.677 19.350 -8.293 1.00 0.00 C ATOM 1479 C GLY A 93 4.069 18.703 -6.983 1.00 0.00 C ATOM 1480 O GLY A 93 4.632 19.355 -6.104 1.00 0.00 O ATOM 0 H GLY A 93 5.301 20.489 -8.956 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.604 19.539 -8.297 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.882 18.662 -9.113 1.00 0.00 H new ATOM 1484 N LEU A 94 3.770 17.419 -6.850 1.00 0.00 N ATOM 1485 CA LEU A 94 4.093 16.683 -5.638 1.00 0.00 C ATOM 1486 C LEU A 94 4.684 15.312 -5.977 1.00 0.00 C ATOM 1487 O LEU A 94 4.276 14.678 -6.945 1.00 0.00 O ATOM 1488 CB LEU A 94 2.839 16.556 -4.760 1.00 0.00 C ATOM 1489 CG LEU A 94 2.239 15.155 -4.642 1.00 0.00 C ATOM 1490 CD1 LEU A 94 2.945 14.376 -3.547 1.00 0.00 C ATOM 1491 CD2 LEU A 94 0.745 15.238 -4.363 1.00 0.00 C ATOM 0 H LEU A 94 3.303 16.865 -7.568 1.00 0.00 H new ATOM 0 HA LEU A 94 4.850 17.231 -5.077 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.084 16.909 -3.759 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.074 17.224 -5.156 1.00 0.00 H new ATOM 0 HG LEU A 94 2.381 14.632 -5.588 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.510 13.379 -3.471 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.005 14.292 -3.786 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.827 14.896 -2.597 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.334 14.232 -4.282 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.579 15.774 -3.429 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.251 15.767 -5.178 1.00 0.00 H new ATOM 1503 N HIS A 95 5.655 14.871 -5.183 1.00 0.00 N ATOM 1504 CA HIS A 95 6.309 13.582 -5.413 1.00 0.00 C ATOM 1505 C HIS A 95 6.296 12.712 -4.158 1.00 0.00 C ATOM 1506 O HIS A 95 6.442 13.211 -3.043 1.00 0.00 O ATOM 1507 CB HIS A 95 7.749 13.808 -5.872 1.00 0.00 C ATOM 1508 CG HIS A 95 8.295 12.701 -6.719 1.00 0.00 C ATOM 1509 ND1 HIS A 95 8.132 12.650 -8.086 1.00 0.00 N ATOM 1510 CD2 HIS A 95 9.015 11.605 -6.386 1.00 0.00 C ATOM 1511 CE1 HIS A 95 8.729 11.571 -8.558 1.00 0.00 C ATOM 1512 NE2 HIS A 95 9.274 10.919 -7.548 1.00 0.00 N ATOM 0 H HIS A 95 6.008 15.384 -4.375 1.00 0.00 H new ATOM 0 HA HIS A 95 5.752 13.057 -6.189 1.00 0.00 H new ATOM 0 HB2 HIS A 95 7.799 14.741 -6.434 1.00 0.00 H new ATOM 0 HB3 HIS A 95 8.385 13.929 -4.995 1.00 0.00 H new ATOM 0 HD2 HIS A 95 9.328 11.322 -5.392 1.00 0.00 H new ATOM 0 HE1 HIS A 95 8.765 11.272 -9.595 1.00 0.00 H new ATOM 0 HE2 HIS A 95 9.801 10.049 -7.619 1.00 0.00 H new ATOM 1521 N LEU A 96 6.140 11.405 -4.351 1.00 0.00 N ATOM 1522 CA LEU A 96 6.129 10.462 -3.241 1.00 0.00 C ATOM 1523 C LEU A 96 7.217 9.405 -3.420 1.00 0.00 C ATOM 1524 O LEU A 96 7.385 8.854 -4.508 1.00 0.00 O ATOM 1525 CB LEU A 96 4.767 9.782 -3.113 1.00 0.00 C ATOM 1526 CG LEU A 96 4.627 8.862 -1.897 1.00 0.00 C ATOM 1527 CD1 LEU A 96 3.185 8.819 -1.422 1.00 0.00 C ATOM 1528 CD2 LEU A 96 5.125 7.461 -2.224 1.00 0.00 C ATOM 0 H LEU A 96 6.019 10.976 -5.269 1.00 0.00 H new ATOM 0 HA LEU A 96 6.326 11.024 -2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.995 10.550 -3.062 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.579 9.201 -4.016 1.00 0.00 H new ATOM 0 HG LEU A 96 5.241 9.264 -1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.106 8.160 -0.557 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.863 9.823 -1.144 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.549 8.443 -2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.017 6.823 -1.347 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.540 7.050 -3.047 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.175 7.506 -2.513 1.00 0.00 H new ATOM 1540 N THR A 97 7.937 9.113 -2.344 1.00 0.00 N ATOM 1541 CA THR A 97 8.990 8.104 -2.378 1.00 0.00 C ATOM 1542 C THR A 97 8.738 7.065 -1.296 1.00 0.00 C ATOM 1543 O THR A 97 8.679 7.381 -0.116 1.00 0.00 O ATOM 1544 CB THR A 97 10.372 8.737 -2.211 1.00 0.00 C ATOM 1545 OG1 THR A 97 10.331 10.121 -2.511 1.00 0.00 O ATOM 1546 CG2 THR A 97 11.427 8.109 -3.097 1.00 0.00 C ATOM 0 H THR A 97 7.811 9.561 -1.436 1.00 0.00 H new ATOM 0 HA THR A 97 8.971 7.616 -3.352 1.00 0.00 H new ATOM 0 HB THR A 97 10.643 8.567 -1.169 1.00 0.00 H new ATOM 0 HG1 THR A 97 11.224 10.507 -2.396 1.00 0.00 H new ATOM 0 HG21 THR A 97 12.384 8.604 -2.930 1.00 0.00 H new ATOM 0 HG22 THR A 97 11.519 7.050 -2.858 1.00 0.00 H new ATOM 0 HG23 THR A 97 11.138 8.221 -4.142 1.00 0.00 H new ATOM 1554 N GLY A 98 8.570 5.832 -1.716 1.00 0.00 N ATOM 1555 CA GLY A 98 8.288 4.756 -0.782 1.00 0.00 C ATOM 1556 C GLY A 98 9.295 3.624 -0.830 1.00 0.00 C ATOM 1557 O GLY A 98 9.866 3.331 -1.879 1.00 0.00 O ATOM 0 H GLY A 98 8.623 5.546 -2.694 1.00 0.00 H new ATOM 0 HA2 GLY A 98 8.261 5.163 0.229 1.00 0.00 H new ATOM 0 HA3 GLY A 98 7.296 4.356 -0.992 1.00 0.00 H new ATOM 1561 N THR A 99 9.508 2.988 0.319 1.00 0.00 N ATOM 1562 CA THR A 99 10.449 1.879 0.424 1.00 0.00 C ATOM 1563 C THR A 99 9.795 0.658 1.066 1.00 0.00 C ATOM 1564 O THR A 99 9.003 0.792 1.999 1.00 0.00 O ATOM 1565 CB THR A 99 11.657 2.292 1.257 1.00 0.00 C ATOM 1566 OG1 THR A 99 12.059 3.614 0.940 1.00 0.00 O ATOM 1567 CG2 THR A 99 12.856 1.387 1.069 1.00 0.00 C ATOM 0 H THR A 99 9.039 3.224 1.193 1.00 0.00 H new ATOM 0 HA THR A 99 10.766 1.618 -0.586 1.00 0.00 H new ATOM 0 HB THR A 99 11.329 2.218 2.294 1.00 0.00 H new ATOM 0 HG1 THR A 99 13.025 3.704 1.077 1.00 0.00 H new ATOM 0 HG21 THR A 99 13.679 1.739 1.691 1.00 0.00 H new ATOM 0 HG22 THR A 99 12.593 0.369 1.358 1.00 0.00 H new ATOM 0 HG23 THR A 99 13.161 1.400 0.023 1.00 0.00 H new ATOM 1575 N ALA A 100 10.142 -0.531 0.579 1.00 0.00 N ATOM 1576 CA ALA A 100 9.592 -1.763 1.137 1.00 0.00 C ATOM 1577 C ALA A 100 10.686 -2.808 1.350 1.00 0.00 C ATOM 1578 O ALA A 100 11.488 -3.079 0.456 1.00 0.00 O ATOM 1579 CB ALA A 100 8.503 -2.312 0.227 1.00 0.00 C ATOM 0 H ALA A 100 10.795 -0.667 -0.193 1.00 0.00 H new ATOM 0 HA ALA A 100 9.156 -1.531 2.109 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.101 -3.231 0.654 1.00 0.00 H new ATOM 0 HB2 ALA A 100 7.704 -1.577 0.131 1.00 0.00 H new ATOM 0 HB3 ALA A 100 8.923 -2.523 -0.757 1.00 0.00 H new ATOM 1585 N MET A 101 10.699 -3.394 2.543 1.00 0.00 N ATOM 1586 CA MET A 101 11.676 -4.420 2.900 1.00 0.00 C ATOM 1587 C MET A 101 10.979 -5.616 3.535 1.00 0.00 C ATOM 1588 O MET A 101 9.893 -5.482 4.097 1.00 0.00 O ATOM 1589 CB MET A 101 12.713 -3.846 3.869 1.00 0.00 C ATOM 1590 CG MET A 101 13.223 -2.470 3.472 1.00 0.00 C ATOM 1591 SD MET A 101 12.301 -1.135 4.260 1.00 0.00 S ATOM 1592 CE MET A 101 13.479 -0.593 5.496 1.00 0.00 C ATOM 0 H MET A 101 10.037 -3.174 3.287 1.00 0.00 H new ATOM 0 HA MET A 101 12.182 -4.749 1.992 1.00 0.00 H new ATOM 0 HB2 MET A 101 12.274 -3.788 4.865 1.00 0.00 H new ATOM 0 HB3 MET A 101 13.557 -4.532 3.933 1.00 0.00 H new ATOM 0 HG2 MET A 101 14.276 -2.386 3.739 1.00 0.00 H new ATOM 0 HG3 MET A 101 13.159 -2.361 2.389 1.00 0.00 H new ATOM 0 HE1 MET A 101 13.053 0.232 6.068 1.00 0.00 H new ATOM 0 HE2 MET A 101 13.708 -1.420 6.168 1.00 0.00 H new ATOM 0 HE3 MET A 101 14.394 -0.260 5.006 1.00 0.00 H new ATOM 1602 N GLY A 102 11.604 -6.784 3.449 1.00 0.00 N ATOM 1603 CA GLY A 102 11.006 -7.974 4.030 1.00 0.00 C ATOM 1604 C GLY A 102 10.224 -8.753 3.002 1.00 0.00 C ATOM 1605 O GLY A 102 9.155 -9.291 3.288 1.00 0.00 O ATOM 0 H GLY A 102 12.505 -6.930 2.993 1.00 0.00 H new ATOM 0 HA2 GLY A 102 11.787 -8.607 4.452 1.00 0.00 H new ATOM 0 HA3 GLY A 102 10.348 -7.689 4.851 1.00 0.00 H new ATOM 1609 N GLU A 103 10.762 -8.789 1.795 1.00 0.00 N ATOM 1610 CA GLU A 103 10.128 -9.477 0.686 1.00 0.00 C ATOM 1611 C GLU A 103 10.719 -10.874 0.497 1.00 0.00 C ATOM 1612 O GLU A 103 11.913 -11.024 0.241 1.00 0.00 O ATOM 1613 CB GLU A 103 10.304 -8.628 -0.575 1.00 0.00 C ATOM 1614 CG GLU A 103 10.252 -9.411 -1.883 1.00 0.00 C ATOM 1615 CD GLU A 103 11.624 -9.644 -2.483 1.00 0.00 C ATOM 1616 OE1 GLU A 103 12.093 -8.775 -3.247 1.00 0.00 O ATOM 1617 OE2 GLU A 103 12.229 -10.698 -2.192 1.00 0.00 O ATOM 0 H GLU A 103 11.648 -8.343 1.558 1.00 0.00 H new ATOM 0 HA GLU A 103 9.066 -9.607 0.893 1.00 0.00 H new ATOM 0 HB2 GLU A 103 9.527 -7.864 -0.594 1.00 0.00 H new ATOM 0 HB3 GLU A 103 11.260 -8.108 -0.516 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.770 -10.372 -1.707 1.00 0.00 H new ATOM 0 HG3 GLU A 103 9.634 -8.871 -2.600 1.00 0.00 H new ATOM 1624 N GLU A 104 9.871 -11.892 0.624 1.00 0.00 N ATOM 1625 CA GLU A 104 10.304 -13.278 0.465 1.00 0.00 C ATOM 1626 C GLU A 104 9.188 -14.249 0.845 1.00 0.00 C ATOM 1627 O GLU A 104 9.141 -14.742 1.971 1.00 0.00 O ATOM 1628 CB GLU A 104 11.549 -13.552 1.317 1.00 0.00 C ATOM 1629 CG GLU A 104 12.780 -13.899 0.497 1.00 0.00 C ATOM 1630 CD GLU A 104 13.959 -14.304 1.360 1.00 0.00 C ATOM 1631 OE1 GLU A 104 13.731 -14.889 2.440 1.00 0.00 O ATOM 1632 OE2 GLU A 104 15.110 -14.037 0.956 1.00 0.00 O ATOM 0 H GLU A 104 8.879 -11.783 0.837 1.00 0.00 H new ATOM 0 HA GLU A 104 10.551 -13.433 -0.585 1.00 0.00 H new ATOM 0 HB2 GLU A 104 11.763 -12.674 1.926 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.337 -14.372 2.004 1.00 0.00 H new ATOM 0 HG2 GLU A 104 12.539 -14.712 -0.187 1.00 0.00 H new ATOM 0 HG3 GLU A 104 13.059 -13.041 -0.114 1.00 0.00 H new ATOM 1639 N ILE A 105 8.294 -14.523 -0.101 1.00 0.00 N ATOM 1640 CA ILE A 105 7.186 -15.439 0.143 1.00 0.00 C ATOM 1641 C ILE A 105 7.681 -16.882 0.209 1.00 0.00 C ATOM 1642 O ILE A 105 8.293 -17.384 -0.735 1.00 0.00 O ATOM 1643 CB ILE A 105 6.096 -15.317 -0.948 1.00 0.00 C ATOM 1644 CG1 ILE A 105 4.793 -15.960 -0.469 1.00 0.00 C ATOM 1645 CG2 ILE A 105 6.557 -15.951 -2.253 1.00 0.00 C ATOM 1646 CD1 ILE A 105 3.559 -15.399 -1.140 1.00 0.00 C ATOM 0 H ILE A 105 8.315 -14.125 -1.040 1.00 0.00 H new ATOM 0 HA ILE A 105 6.747 -15.164 1.102 1.00 0.00 H new ATOM 0 HB ILE A 105 5.916 -14.258 -1.134 1.00 0.00 H new ATOM 0 HG12 ILE A 105 4.839 -17.034 -0.651 1.00 0.00 H new ATOM 0 HG13 ILE A 105 4.705 -15.823 0.609 1.00 0.00 H new ATOM 0 HG21 ILE A 105 5.772 -15.852 -3.003 1.00 0.00 H new ATOM 0 HG22 ILE A 105 7.459 -15.449 -2.603 1.00 0.00 H new ATOM 0 HG23 ILE A 105 6.770 -17.007 -2.089 1.00 0.00 H new ATOM 0 HD11 ILE A 105 2.673 -15.902 -0.751 1.00 0.00 H new ATOM 0 HD12 ILE A 105 3.488 -14.330 -0.937 1.00 0.00 H new ATOM 0 HD13 ILE A 105 3.625 -15.560 -2.216 1.00 0.00 H new ATOM 1658 N LYS A 106 7.416 -17.545 1.331 1.00 0.00 N ATOM 1659 CA LYS A 106 7.841 -18.927 1.516 1.00 0.00 C ATOM 1660 C LYS A 106 6.652 -19.878 1.425 1.00 0.00 C ATOM 1661 O LYS A 106 5.554 -19.560 1.882 1.00 0.00 O ATOM 1662 CB LYS A 106 8.539 -19.093 2.867 1.00 0.00 C ATOM 1663 CG LYS A 106 9.090 -20.489 3.101 1.00 0.00 C ATOM 1664 CD LYS A 106 10.583 -20.554 2.819 1.00 0.00 C ATOM 1665 CE LYS A 106 11.196 -21.837 3.357 1.00 0.00 C ATOM 1666 NZ LYS A 106 11.232 -21.854 4.846 1.00 0.00 N ATOM 0 H LYS A 106 6.910 -17.148 2.123 1.00 0.00 H new ATOM 0 HA LYS A 106 8.544 -19.174 0.720 1.00 0.00 H new ATOM 0 HB2 LYS A 106 9.355 -18.374 2.935 1.00 0.00 H new ATOM 0 HB3 LYS A 106 7.834 -18.852 3.663 1.00 0.00 H new ATOM 0 HG2 LYS A 106 8.900 -20.788 4.132 1.00 0.00 H new ATOM 0 HG3 LYS A 106 8.567 -21.200 2.461 1.00 0.00 H new ATOM 0 HD2 LYS A 106 10.755 -20.490 1.744 1.00 0.00 H new ATOM 0 HD3 LYS A 106 11.078 -19.695 3.272 1.00 0.00 H new ATOM 0 HE2 LYS A 106 10.623 -22.692 2.998 1.00 0.00 H new ATOM 0 HE3 LYS A 106 12.208 -21.946 2.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 11.898 -22.584 5.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 11.541 -20.925 5.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 10.282 -22.065 5.214 1.00 0.00 H new ATOM 1680 N GLU A 107 6.880 -21.049 0.837 1.00 0.00 N ATOM 1681 CA GLU A 107 5.827 -22.047 0.690 1.00 0.00 C ATOM 1682 C GLU A 107 5.221 -22.393 2.046 1.00 0.00 C ATOM 1683 O GLU A 107 5.929 -22.792 2.970 1.00 0.00 O ATOM 1684 CB GLU A 107 6.380 -23.310 0.026 1.00 0.00 C ATOM 1685 CG GLU A 107 7.019 -23.056 -1.329 1.00 0.00 C ATOM 1686 CD GLU A 107 5.995 -22.889 -2.435 1.00 0.00 C ATOM 1687 OE1 GLU A 107 5.494 -21.759 -2.613 1.00 0.00 O ATOM 1688 OE2 GLU A 107 5.694 -23.887 -3.122 1.00 0.00 O ATOM 0 H GLU A 107 7.783 -21.329 0.455 1.00 0.00 H new ATOM 0 HA GLU A 107 5.045 -21.628 0.056 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.118 -23.764 0.687 1.00 0.00 H new ATOM 0 HB3 GLU A 107 5.572 -24.032 -0.093 1.00 0.00 H new ATOM 0 HG2 GLU A 107 7.637 -22.160 -1.273 1.00 0.00 H new ATOM 0 HG3 GLU A 107 7.682 -23.885 -1.575 1.00 0.00 H new ATOM 1695 N GLY A 108 3.907 -22.232 2.159 1.00 0.00 N ATOM 1696 CA GLY A 108 3.232 -22.525 3.409 1.00 0.00 C ATOM 1697 C GLY A 108 3.116 -21.301 4.296 1.00 0.00 C ATOM 1698 O GLY A 108 3.139 -21.408 5.522 1.00 0.00 O ATOM 0 H GLY A 108 3.299 -21.904 1.409 1.00 0.00 H new ATOM 0 HA2 GLY A 108 2.236 -22.916 3.200 1.00 0.00 H new ATOM 0 HA3 GLY A 108 3.776 -23.306 3.940 1.00 0.00 H new ATOM 1702 N HIS A 109 2.994 -20.135 3.671 1.00 0.00 N ATOM 1703 CA HIS A 109 2.877 -18.879 4.403 1.00 0.00 C ATOM 1704 C HIS A 109 1.660 -18.897 5.323 1.00 0.00 C ATOM 1705 O HIS A 109 0.716 -19.656 5.104 1.00 0.00 O ATOM 1706 CB HIS A 109 2.781 -17.703 3.427 1.00 0.00 C ATOM 1707 CG HIS A 109 1.642 -17.816 2.462 1.00 0.00 C ATOM 1708 ND1 HIS A 109 1.796 -17.693 1.097 1.00 0.00 N ATOM 1709 CD2 HIS A 109 0.323 -18.042 2.671 1.00 0.00 C ATOM 1710 CE1 HIS A 109 0.622 -17.836 0.509 1.00 0.00 C ATOM 1711 NE2 HIS A 109 -0.288 -18.050 1.441 1.00 0.00 N ATOM 0 H HIS A 109 2.974 -20.033 2.656 1.00 0.00 H new ATOM 0 HA HIS A 109 3.770 -18.759 5.017 1.00 0.00 H new ATOM 0 HB2 HIS A 109 2.675 -16.778 3.995 1.00 0.00 H new ATOM 0 HB3 HIS A 109 3.714 -17.629 2.868 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -0.158 -18.189 3.627 1.00 0.00 H new ATOM 0 HE1 HIS A 109 0.438 -17.786 -0.554 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -1.283 -18.197 1.275 1.00 0.00 H new ATOM 1720 N GLU A 110 1.694 -18.057 6.357 1.00 0.00 N ATOM 1721 CA GLU A 110 0.601 -17.970 7.325 1.00 0.00 C ATOM 1722 C GLU A 110 -0.760 -17.990 6.632 1.00 0.00 C ATOM 1723 O GLU A 110 -0.940 -17.383 5.576 1.00 0.00 O ATOM 1724 CB GLU A 110 0.740 -16.699 8.164 1.00 0.00 C ATOM 1725 CG GLU A 110 -0.150 -16.679 9.395 1.00 0.00 C ATOM 1726 CD GLU A 110 0.576 -16.189 10.633 1.00 0.00 C ATOM 1727 OE1 GLU A 110 0.727 -14.958 10.785 1.00 0.00 O ATOM 1728 OE2 GLU A 110 0.992 -17.035 11.452 1.00 0.00 O ATOM 0 H GLU A 110 2.471 -17.424 6.546 1.00 0.00 H new ATOM 0 HA GLU A 110 0.662 -18.842 7.977 1.00 0.00 H new ATOM 0 HB2 GLU A 110 1.779 -16.592 8.476 1.00 0.00 H new ATOM 0 HB3 GLU A 110 0.504 -15.836 7.542 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -1.011 -16.038 9.206 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -0.534 -17.683 9.577 1.00 0.00 H new ATOM 1735 N ARG A 111 -1.712 -18.697 7.232 1.00 0.00 N ATOM 1736 CA ARG A 111 -3.054 -18.803 6.670 1.00 0.00 C ATOM 1737 C ARG A 111 -3.964 -17.697 7.196 1.00 0.00 C ATOM 1738 O ARG A 111 -3.973 -17.396 8.389 1.00 0.00 O ATOM 1739 CB ARG A 111 -3.657 -20.172 6.993 1.00 0.00 C ATOM 1740 CG ARG A 111 -2.891 -21.336 6.384 1.00 0.00 C ATOM 1741 CD ARG A 111 -2.692 -21.155 4.886 1.00 0.00 C ATOM 1742 NE ARG A 111 -2.956 -22.386 4.145 1.00 0.00 N ATOM 1743 CZ ARG A 111 -4.175 -22.812 3.823 1.00 0.00 C ATOM 1744 NH1 ARG A 111 -5.246 -22.111 4.177 1.00 0.00 N ATOM 1745 NH2 ARG A 111 -4.325 -23.940 3.144 1.00 0.00 N ATOM 0 H ARG A 111 -1.579 -19.205 8.107 1.00 0.00 H new ATOM 0 HA ARG A 111 -2.973 -18.692 5.589 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -3.692 -20.298 8.075 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -4.686 -20.199 6.636 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -1.921 -21.428 6.872 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -3.431 -22.264 6.570 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -3.352 -20.366 4.525 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -1.670 -20.828 4.693 1.00 0.00 H new ATOM 0 HE ARG A 111 -2.158 -22.953 3.857 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -5.137 -21.241 4.698 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -6.178 -22.442 3.927 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -3.506 -24.482 2.868 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -5.259 -24.266 2.897 1.00 0.00 H new ATOM 1759 N ARG A 112 -4.729 -17.099 6.290 1.00 0.00 N ATOM 1760 CA ARG A 112 -5.652 -16.025 6.642 1.00 0.00 C ATOM 1761 C ARG A 112 -6.635 -15.781 5.501 1.00 0.00 C ATOM 1762 O ARG A 112 -6.560 -16.436 4.462 1.00 0.00 O ATOM 1763 CB ARG A 112 -4.878 -14.743 6.957 1.00 0.00 C ATOM 1764 CG ARG A 112 -5.383 -14.015 8.192 1.00 0.00 C ATOM 1765 CD ARG A 112 -4.520 -12.808 8.516 1.00 0.00 C ATOM 1766 NE ARG A 112 -4.288 -12.670 9.952 1.00 0.00 N ATOM 1767 CZ ARG A 112 -3.386 -13.377 10.629 1.00 0.00 C ATOM 1768 NH1 ARG A 112 -2.634 -14.277 10.007 1.00 0.00 N ATOM 1769 NH2 ARG A 112 -3.237 -13.186 11.932 1.00 0.00 N ATOM 0 H ARG A 112 -4.728 -17.342 5.299 1.00 0.00 H new ATOM 0 HA ARG A 112 -6.212 -16.321 7.529 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -3.825 -14.989 7.096 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -4.938 -14.072 6.100 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -6.413 -13.695 8.032 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -5.390 -14.698 9.041 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -3.563 -12.898 8.001 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -5.002 -11.906 8.138 1.00 0.00 H new ATOM 0 HE ARG A 112 -4.850 -11.992 10.466 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -2.746 -14.430 9.005 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -1.945 -14.816 10.531 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -3.813 -12.497 12.416 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -2.546 -13.728 12.451 1.00 0.00 H new ATOM 1783 N ASP A 113 -7.551 -14.837 5.691 1.00 0.00 N ATOM 1784 CA ASP A 113 -8.532 -14.526 4.657 1.00 0.00 C ATOM 1785 C ASP A 113 -8.000 -13.448 3.721 1.00 0.00 C ATOM 1786 O ASP A 113 -7.569 -12.383 4.163 1.00 0.00 O ATOM 1787 CB ASP A 113 -9.847 -14.067 5.291 1.00 0.00 C ATOM 1788 CG ASP A 113 -9.660 -12.883 6.219 1.00 0.00 C ATOM 1789 OD1 ASP A 113 -9.741 -11.733 5.737 1.00 0.00 O ATOM 1790 OD2 ASP A 113 -9.431 -13.105 7.426 1.00 0.00 O ATOM 0 H ASP A 113 -7.635 -14.280 6.541 1.00 0.00 H new ATOM 0 HA ASP A 113 -8.717 -15.431 4.078 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -10.553 -13.800 4.504 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -10.287 -14.895 5.847 1.00 0.00 H new ATOM 1795 N GLU A 114 -8.027 -13.737 2.425 1.00 0.00 N ATOM 1796 CA GLU A 114 -7.541 -12.799 1.419 1.00 0.00 C ATOM 1797 C GLU A 114 -8.627 -12.455 0.404 1.00 0.00 C ATOM 1798 O GLU A 114 -9.428 -13.308 0.024 1.00 0.00 O ATOM 1799 CB GLU A 114 -6.324 -13.381 0.698 1.00 0.00 C ATOM 1800 CG GLU A 114 -5.318 -14.038 1.629 1.00 0.00 C ATOM 1801 CD GLU A 114 -5.087 -15.501 1.303 1.00 0.00 C ATOM 1802 OE1 GLU A 114 -5.111 -15.853 0.105 1.00 0.00 O ATOM 1803 OE2 GLU A 114 -4.882 -16.293 2.246 1.00 0.00 O ATOM 0 H GLU A 114 -8.381 -14.615 2.045 1.00 0.00 H new ATOM 0 HA GLU A 114 -7.254 -11.881 1.933 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -6.663 -14.115 -0.033 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -5.827 -12.585 0.143 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -4.370 -13.503 1.569 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -5.669 -13.950 2.657 1.00 0.00 H new ATOM 1810 N VAL A 115 -8.632 -11.206 -0.051 1.00 0.00 N ATOM 1811 CA VAL A 115 -9.597 -10.760 -1.045 1.00 0.00 C ATOM 1812 C VAL A 115 -9.289 -11.413 -2.387 1.00 0.00 C ATOM 1813 O VAL A 115 -8.286 -11.098 -3.025 1.00 0.00 O ATOM 1814 CB VAL A 115 -9.559 -9.230 -1.211 1.00 0.00 C ATOM 1815 CG1 VAL A 115 -10.283 -8.546 -0.062 1.00 0.00 C ATOM 1816 CG2 VAL A 115 -8.123 -8.736 -1.316 1.00 0.00 C ATOM 0 H VAL A 115 -7.977 -10.486 0.254 1.00 0.00 H new ATOM 0 HA VAL A 115 -10.591 -11.049 -0.704 1.00 0.00 H new ATOM 0 HB VAL A 115 -10.075 -8.974 -2.137 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -10.244 -7.465 -0.199 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -11.323 -8.872 -0.042 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -9.802 -8.810 0.880 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -8.119 -7.652 -1.433 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -7.578 -9.006 -0.411 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -7.642 -9.196 -2.179 1.00 0.00 H new ATOM 1826 N LYS A 116 -10.151 -12.335 -2.801 1.00 0.00 N ATOM 1827 CA LYS A 116 -9.969 -13.053 -4.060 1.00 0.00 C ATOM 1828 C LYS A 116 -9.665 -12.106 -5.222 1.00 0.00 C ATOM 1829 O LYS A 116 -9.138 -12.532 -6.249 1.00 0.00 O ATOM 1830 CB LYS A 116 -11.212 -13.889 -4.378 1.00 0.00 C ATOM 1831 CG LYS A 116 -11.054 -15.363 -4.045 1.00 0.00 C ATOM 1832 CD LYS A 116 -10.107 -16.057 -5.011 1.00 0.00 C ATOM 1833 CE LYS A 116 -10.772 -16.317 -6.354 1.00 0.00 C ATOM 1834 NZ LYS A 116 -10.462 -17.679 -6.871 1.00 0.00 N ATOM 0 H LYS A 116 -10.986 -12.605 -2.282 1.00 0.00 H new ATOM 0 HA LYS A 116 -9.109 -13.711 -3.937 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -12.061 -13.489 -3.824 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -11.447 -13.787 -5.438 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -10.678 -15.468 -3.027 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -12.029 -15.850 -4.077 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -9.219 -15.442 -5.157 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -9.774 -17.001 -4.580 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -11.851 -16.204 -6.253 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -10.439 -15.570 -7.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -10.933 -17.818 -7.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -9.434 -17.779 -6.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -10.802 -18.393 -6.195 1.00 0.00 H new ATOM 1848 N ALA A 117 -9.997 -10.826 -5.065 1.00 0.00 N ATOM 1849 CA ALA A 117 -9.749 -9.853 -6.122 1.00 0.00 C ATOM 1850 C ALA A 117 -9.496 -8.460 -5.556 1.00 0.00 C ATOM 1851 O ALA A 117 -10.421 -7.791 -5.093 1.00 0.00 O ATOM 1852 CB ALA A 117 -10.919 -9.824 -7.092 1.00 0.00 C ATOM 0 H ALA A 117 -10.433 -10.444 -4.226 1.00 0.00 H new ATOM 0 HA ALA A 117 -8.849 -10.161 -6.655 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -10.723 -9.094 -7.877 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -11.047 -10.811 -7.538 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -11.828 -9.547 -6.558 1.00 0.00 H new ATOM 1858 N VAL A 118 -8.241 -8.019 -5.609 1.00 0.00 N ATOM 1859 CA VAL A 118 -7.881 -6.697 -5.114 1.00 0.00 C ATOM 1860 C VAL A 118 -8.206 -5.639 -6.161 1.00 0.00 C ATOM 1861 O VAL A 118 -7.526 -5.527 -7.181 1.00 0.00 O ATOM 1862 CB VAL A 118 -6.379 -6.622 -4.765 1.00 0.00 C ATOM 1863 CG1 VAL A 118 -5.535 -7.126 -5.928 1.00 0.00 C ATOM 1864 CG2 VAL A 118 -5.977 -5.203 -4.382 1.00 0.00 C ATOM 0 H VAL A 118 -7.461 -8.556 -5.988 1.00 0.00 H new ATOM 0 HA VAL A 118 -8.460 -6.511 -4.209 1.00 0.00 H new ATOM 0 HB VAL A 118 -6.198 -7.265 -3.904 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -4.479 -7.066 -5.664 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -5.796 -8.162 -6.145 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -5.725 -6.512 -6.808 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -4.914 -5.178 -4.141 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -6.175 -4.531 -5.217 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -6.553 -4.883 -3.514 1.00 0.00 H new ATOM 1874 N THR A 119 -9.249 -4.863 -5.898 1.00 0.00 N ATOM 1875 CA THR A 119 -9.667 -3.811 -6.812 1.00 0.00 C ATOM 1876 C THR A 119 -9.532 -2.438 -6.166 1.00 0.00 C ATOM 1877 O THR A 119 -10.135 -2.175 -5.128 1.00 0.00 O ATOM 1878 CB THR A 119 -11.112 -4.037 -7.256 1.00 0.00 C ATOM 1879 OG1 THR A 119 -11.264 -5.321 -7.834 1.00 0.00 O ATOM 1880 CG2 THR A 119 -11.594 -3.019 -8.267 1.00 0.00 C ATOM 0 H THR A 119 -9.821 -4.943 -5.057 1.00 0.00 H new ATOM 0 HA THR A 119 -9.015 -3.846 -7.685 1.00 0.00 H new ATOM 0 HB THR A 119 -11.711 -3.938 -6.351 1.00 0.00 H new ATOM 0 HG1 THR A 119 -12.196 -5.447 -8.110 1.00 0.00 H new ATOM 0 HG21 THR A 119 -12.627 -3.237 -8.539 1.00 0.00 H new ATOM 0 HG22 THR A 119 -11.536 -2.020 -7.834 1.00 0.00 H new ATOM 0 HG23 THR A 119 -10.967 -3.065 -9.157 1.00 0.00 H new ATOM 1888 N PHE A 120 -8.756 -1.563 -6.791 1.00 0.00 N ATOM 1889 CA PHE A 120 -8.571 -0.208 -6.275 1.00 0.00 C ATOM 1890 C PHE A 120 -9.889 0.558 -6.356 1.00 0.00 C ATOM 1891 O PHE A 120 -10.045 1.462 -7.178 1.00 0.00 O ATOM 1892 CB PHE A 120 -7.480 0.531 -7.064 1.00 0.00 C ATOM 1893 CG PHE A 120 -7.427 0.182 -8.529 1.00 0.00 C ATOM 1894 CD1 PHE A 120 -8.591 -0.027 -9.254 1.00 0.00 C ATOM 1895 CD2 PHE A 120 -6.209 0.067 -9.179 1.00 0.00 C ATOM 1896 CE1 PHE A 120 -8.539 -0.346 -10.598 1.00 0.00 C ATOM 1897 CE2 PHE A 120 -6.152 -0.252 -10.523 1.00 0.00 C ATOM 1898 CZ PHE A 120 -7.318 -0.459 -11.233 1.00 0.00 C ATOM 0 H PHE A 120 -8.246 -1.763 -7.651 1.00 0.00 H new ATOM 0 HA PHE A 120 -8.255 -0.271 -5.234 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -7.641 1.604 -6.964 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -6.512 0.310 -6.615 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -9.549 0.061 -8.763 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -5.293 0.228 -8.629 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -9.453 -0.507 -11.151 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -5.196 -0.339 -11.017 1.00 0.00 H new ATOM 0 HZ PHE A 120 -7.275 -0.709 -12.283 1.00 0.00 H new ATOM 1908 N HIS A 121 -10.850 0.165 -5.523 1.00 0.00 N ATOM 1909 CA HIS A 121 -12.167 0.790 -5.534 1.00 0.00 C ATOM 1910 C HIS A 121 -12.181 2.156 -4.847 1.00 0.00 C ATOM 1911 O HIS A 121 -12.776 3.103 -5.362 1.00 0.00 O ATOM 1912 CB HIS A 121 -13.190 -0.133 -4.878 1.00 0.00 C ATOM 1913 CG HIS A 121 -14.610 0.253 -5.154 1.00 0.00 C ATOM 1914 ND1 HIS A 121 -14.963 1.438 -5.763 1.00 0.00 N ATOM 1915 CD2 HIS A 121 -15.771 -0.399 -4.903 1.00 0.00 C ATOM 1916 CE1 HIS A 121 -16.278 1.500 -5.873 1.00 0.00 C ATOM 1917 NE2 HIS A 121 -16.791 0.398 -5.360 1.00 0.00 N ATOM 0 H HIS A 121 -10.741 -0.580 -4.835 1.00 0.00 H new ATOM 0 HA HIS A 121 -12.431 0.955 -6.579 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -13.025 -1.152 -5.228 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -13.026 -0.136 -3.800 1.00 0.00 H new ATOM 0 HD1 HIS A 121 -14.311 2.155 -6.079 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -15.875 -1.365 -4.432 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -16.838 2.314 -6.309 1.00 0.00 H new ATOM 1926 N MET A 122 -11.527 2.268 -3.694 1.00 0.00 N ATOM 1927 CA MET A 122 -11.482 3.534 -2.975 1.00 0.00 C ATOM 1928 C MET A 122 -10.166 4.245 -3.253 1.00 0.00 C ATOM 1929 O MET A 122 -10.142 5.289 -3.905 1.00 0.00 O ATOM 1930 CB MET A 122 -11.660 3.301 -1.474 1.00 0.00 C ATOM 1931 CG MET A 122 -13.108 3.088 -1.058 1.00 0.00 C ATOM 1932 SD MET A 122 -14.170 4.479 -1.491 1.00 0.00 S ATOM 1933 CE MET A 122 -15.608 4.138 -0.479 1.00 0.00 C ATOM 0 H MET A 122 -11.025 1.503 -3.242 1.00 0.00 H new ATOM 0 HA MET A 122 -12.300 4.165 -3.323 1.00 0.00 H new ATOM 0 HB2 MET A 122 -11.074 2.431 -1.178 1.00 0.00 H new ATOM 0 HB3 MET A 122 -11.257 4.156 -0.932 1.00 0.00 H new ATOM 0 HG2 MET A 122 -13.489 2.184 -1.533 1.00 0.00 H new ATOM 0 HG3 MET A 122 -13.152 2.925 0.019 1.00 0.00 H new ATOM 0 HE1 MET A 122 -16.357 4.914 -0.637 1.00 0.00 H new ATOM 0 HE2 MET A 122 -16.025 3.170 -0.755 1.00 0.00 H new ATOM 0 HE3 MET A 122 -15.318 4.122 0.572 1.00 0.00 H new ATOM 1943 N MET A 123 -9.074 3.659 -2.761 1.00 0.00 N ATOM 1944 CA MET A 123 -7.727 4.201 -2.950 1.00 0.00 C ATOM 1945 C MET A 123 -7.720 5.727 -3.013 1.00 0.00 C ATOM 1946 O MET A 123 -7.512 6.318 -4.072 1.00 0.00 O ATOM 1947 CB MET A 123 -7.089 3.621 -4.218 1.00 0.00 C ATOM 1948 CG MET A 123 -8.016 3.602 -5.420 1.00 0.00 C ATOM 1949 SD MET A 123 -7.215 4.193 -6.926 1.00 0.00 S ATOM 1950 CE MET A 123 -8.445 3.766 -8.156 1.00 0.00 C ATOM 0 H MET A 123 -9.098 2.795 -2.220 1.00 0.00 H new ATOM 0 HA MET A 123 -7.140 3.906 -2.080 1.00 0.00 H new ATOM 0 HB2 MET A 123 -6.201 4.203 -4.465 1.00 0.00 H new ATOM 0 HB3 MET A 123 -6.756 2.604 -4.012 1.00 0.00 H new ATOM 0 HG2 MET A 123 -8.376 2.586 -5.580 1.00 0.00 H new ATOM 0 HG3 MET A 123 -8.889 4.221 -5.211 1.00 0.00 H new ATOM 0 HE1 MET A 123 -8.408 4.487 -8.973 1.00 0.00 H new ATOM 0 HE2 MET A 123 -8.241 2.768 -8.543 1.00 0.00 H new ATOM 0 HE3 MET A 123 -9.436 3.783 -7.701 1.00 0.00 H new ATOM 1960 N GLU A 124 -7.945 6.354 -1.866 1.00 0.00 N ATOM 1961 CA GLU A 124 -7.962 7.807 -1.774 1.00 0.00 C ATOM 1962 C GLU A 124 -7.837 8.240 -0.319 1.00 0.00 C ATOM 1963 O GLU A 124 -8.504 7.695 0.556 1.00 0.00 O ATOM 1964 CB GLU A 124 -9.250 8.365 -2.383 1.00 0.00 C ATOM 1965 CG GLU A 124 -9.061 8.949 -3.775 1.00 0.00 C ATOM 1966 CD GLU A 124 -10.163 9.917 -4.155 1.00 0.00 C ATOM 1967 OE1 GLU A 124 -10.608 10.686 -3.278 1.00 0.00 O ATOM 1968 OE2 GLU A 124 -10.582 9.906 -5.332 1.00 0.00 O ATOM 0 H GLU A 124 -8.119 5.876 -0.982 1.00 0.00 H new ATOM 0 HA GLU A 124 -7.114 8.202 -2.334 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -9.994 7.570 -2.429 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -9.649 9.137 -1.725 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -8.100 9.461 -3.823 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -9.027 8.139 -4.503 1.00 0.00 H new ATOM 1975 N ILE A 125 -6.982 9.220 -0.062 1.00 0.00 N ATOM 1976 CA ILE A 125 -6.786 9.705 1.295 1.00 0.00 C ATOM 1977 C ILE A 125 -7.489 11.037 1.508 1.00 0.00 C ATOM 1978 O ILE A 125 -7.148 12.042 0.885 1.00 0.00 O ATOM 1979 CB ILE A 125 -5.289 9.856 1.645 1.00 0.00 C ATOM 1980 CG1 ILE A 125 -4.562 8.526 1.452 1.00 0.00 C ATOM 1981 CG2 ILE A 125 -5.114 10.344 3.078 1.00 0.00 C ATOM 1982 CD1 ILE A 125 -3.057 8.664 1.410 1.00 0.00 C ATOM 0 H ILE A 125 -6.418 9.691 -0.769 1.00 0.00 H new ATOM 0 HA ILE A 125 -7.221 8.957 1.957 1.00 0.00 H new ATOM 0 HB ILE A 125 -4.856 10.597 0.973 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -4.835 7.850 2.263 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -4.903 8.065 0.525 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -4.052 10.443 3.302 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -5.601 11.312 3.195 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -5.564 9.627 3.764 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -2.605 7.682 1.271 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -2.774 9.314 0.582 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -2.705 9.096 2.347 1.00 0.00 H new ATOM 1994 N LEU A 126 -8.464 11.035 2.406 1.00 0.00 N ATOM 1995 CA LEU A 126 -9.209 12.249 2.720 1.00 0.00 C ATOM 1996 C LEU A 126 -8.749 12.821 4.057 1.00 0.00 C ATOM 1997 O LEU A 126 -8.542 12.083 5.019 1.00 0.00 O ATOM 1998 CB LEU A 126 -10.724 11.993 2.740 1.00 0.00 C ATOM 1999 CG LEU A 126 -11.175 10.614 3.239 1.00 0.00 C ATOM 2000 CD1 LEU A 126 -10.841 9.533 2.220 1.00 0.00 C ATOM 2001 CD2 LEU A 126 -10.554 10.298 4.594 1.00 0.00 C ATOM 0 H LEU A 126 -8.758 10.210 2.929 1.00 0.00 H new ATOM 0 HA LEU A 126 -9.007 12.976 1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -11.191 12.753 3.367 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -11.108 12.133 1.730 1.00 0.00 H new ATOM 0 HG LEU A 126 -12.258 10.636 3.363 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -11.170 8.564 2.596 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -11.349 9.749 1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -9.764 9.510 2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -10.888 9.316 4.927 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -9.468 10.301 4.506 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -10.861 11.051 5.320 1.00 0.00 H new ATOM 2013 N ASP A 127 -8.575 14.137 4.107 1.00 0.00 N ATOM 2014 CA ASP A 127 -8.121 14.793 5.327 1.00 0.00 C ATOM 2015 C ASP A 127 -9.297 15.300 6.157 1.00 0.00 C ATOM 2016 O ASP A 127 -10.111 16.094 5.683 1.00 0.00 O ATOM 2017 CB ASP A 127 -7.186 15.955 4.986 1.00 0.00 C ATOM 2018 CG ASP A 127 -5.987 15.513 4.172 1.00 0.00 C ATOM 2019 OD1 ASP A 127 -6.148 14.617 3.317 1.00 0.00 O ATOM 2020 OD2 ASP A 127 -4.886 16.062 4.388 1.00 0.00 O ATOM 0 H ASP A 127 -8.740 14.767 3.322 1.00 0.00 H new ATOM 0 HA ASP A 127 -7.580 14.056 5.920 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -7.740 16.712 4.430 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -6.843 16.424 5.908 1.00 0.00 H new ATOM 2025 N GLU A 128 -9.371 14.844 7.403 1.00 0.00 N ATOM 2026 CA GLU A 128 -10.434 15.254 8.313 1.00 0.00 C ATOM 2027 C GLU A 128 -9.849 15.844 9.594 1.00 0.00 C ATOM 2028 O GLU A 128 -9.036 15.204 10.261 1.00 0.00 O ATOM 2029 CB GLU A 128 -11.336 14.062 8.648 1.00 0.00 C ATOM 2030 CG GLU A 128 -12.816 14.407 8.672 1.00 0.00 C ATOM 2031 CD GLU A 128 -13.696 13.182 8.822 1.00 0.00 C ATOM 2032 OE1 GLU A 128 -13.534 12.454 9.823 1.00 0.00 O ATOM 2033 OE2 GLU A 128 -14.549 12.953 7.938 1.00 0.00 O ATOM 0 H GLU A 128 -8.704 14.187 7.807 1.00 0.00 H new ATOM 0 HA GLU A 128 -11.030 16.021 7.819 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -11.167 13.272 7.916 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -11.049 13.662 9.620 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -13.012 15.094 9.495 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -13.079 14.929 7.752 1.00 0.00 H new ATOM 2040 N ASP A 129 -10.261 17.062 9.934 1.00 0.00 N ATOM 2041 CA ASP A 129 -9.762 17.719 11.141 1.00 0.00 C ATOM 2042 C ASP A 129 -8.245 17.859 11.099 1.00 0.00 C ATOM 2043 O ASP A 129 -7.595 18.001 12.135 1.00 0.00 O ATOM 2044 CB ASP A 129 -10.152 16.911 12.372 1.00 0.00 C ATOM 2045 CG ASP A 129 -11.650 16.890 12.606 1.00 0.00 C ATOM 2046 OD1 ASP A 129 -12.208 17.947 12.969 1.00 0.00 O ATOM 2047 OD2 ASP A 129 -12.264 15.817 12.427 1.00 0.00 O ATOM 0 H ASP A 129 -10.933 17.611 9.397 1.00 0.00 H new ATOM 0 HA ASP A 129 -10.207 18.713 11.191 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -9.791 15.889 12.260 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -9.657 17.329 13.248 1.00 0.00 H new ATOM 2052 N GLY A 130 -7.689 17.797 9.901 1.00 0.00 N ATOM 2053 CA GLY A 130 -6.252 17.894 9.743 1.00 0.00 C ATOM 2054 C GLY A 130 -5.586 16.530 9.780 1.00 0.00 C ATOM 2055 O GLY A 130 -4.365 16.423 9.667 1.00 0.00 O ATOM 0 H GLY A 130 -8.208 17.681 9.031 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -6.023 18.385 8.797 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -5.841 18.521 10.535 1.00 0.00 H new ATOM 2059 N LEU A 131 -6.398 15.485 9.932 1.00 0.00 N ATOM 2060 CA LEU A 131 -5.896 14.119 9.977 1.00 0.00 C ATOM 2061 C LEU A 131 -6.102 13.437 8.632 1.00 0.00 C ATOM 2062 O LEU A 131 -7.091 13.688 7.946 1.00 0.00 O ATOM 2063 CB LEU A 131 -6.605 13.329 11.079 1.00 0.00 C ATOM 2064 CG LEU A 131 -5.927 13.377 12.448 1.00 0.00 C ATOM 2065 CD1 LEU A 131 -6.715 12.561 13.464 1.00 0.00 C ATOM 2066 CD2 LEU A 131 -4.492 12.877 12.351 1.00 0.00 C ATOM 0 H LEU A 131 -7.411 15.563 10.026 1.00 0.00 H new ATOM 0 HA LEU A 131 -4.829 14.149 10.197 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -7.622 13.709 11.181 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -6.683 12.288 10.766 1.00 0.00 H new ATOM 0 HG LEU A 131 -5.905 14.413 12.786 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -6.217 12.607 14.433 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -7.722 12.967 13.554 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -6.770 11.524 13.133 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -4.025 12.918 13.335 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -4.489 11.848 11.991 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -3.934 13.506 11.658 1.00 0.00 H new ATOM 2078 N ILE A 132 -5.165 12.577 8.258 1.00 0.00 N ATOM 2079 CA ILE A 132 -5.249 11.864 6.985 1.00 0.00 C ATOM 2080 C ILE A 132 -5.709 10.427 7.170 1.00 0.00 C ATOM 2081 O ILE A 132 -5.222 9.717 8.047 1.00 0.00 O ATOM 2082 CB ILE A 132 -3.902 11.819 6.226 1.00 0.00 C ATOM 2083 CG1 ILE A 132 -2.722 12.205 7.131 1.00 0.00 C ATOM 2084 CG2 ILE A 132 -3.945 12.711 4.997 1.00 0.00 C ATOM 2085 CD1 ILE A 132 -2.404 13.687 7.144 1.00 0.00 C ATOM 0 H ILE A 132 -4.339 12.355 8.814 1.00 0.00 H new ATOM 0 HA ILE A 132 -5.976 12.429 6.402 1.00 0.00 H new ATOM 0 HB ILE A 132 -3.746 10.789 5.905 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -2.940 11.883 8.149 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -1.837 11.658 6.807 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -2.987 12.663 4.479 1.00 0.00 H new ATOM 0 HG22 ILE A 132 -4.736 12.371 4.328 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -4.143 13.739 5.300 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -1.559 13.872 7.807 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -2.152 14.014 6.135 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -3.272 14.242 7.499 1.00 0.00 H new ATOM 2097 N LYS A 133 -6.618 9.992 6.312 1.00 0.00 N ATOM 2098 CA LYS A 133 -7.102 8.623 6.355 1.00 0.00 C ATOM 2099 C LYS A 133 -7.140 8.040 4.942 1.00 0.00 C ATOM 2100 O LYS A 133 -7.562 8.711 4.002 1.00 0.00 O ATOM 2101 CB LYS A 133 -8.496 8.568 6.983 1.00 0.00 C ATOM 2102 CG LYS A 133 -8.479 8.441 8.498 1.00 0.00 C ATOM 2103 CD LYS A 133 -9.819 8.824 9.104 1.00 0.00 C ATOM 2104 CE LYS A 133 -9.815 10.261 9.602 1.00 0.00 C ATOM 2105 NZ LYS A 133 -10.640 10.426 10.830 1.00 0.00 N ATOM 0 H LYS A 133 -7.034 10.566 5.579 1.00 0.00 H new ATOM 0 HA LYS A 133 -6.422 8.031 6.968 1.00 0.00 H new ATOM 0 HB2 LYS A 133 -9.044 9.469 6.709 1.00 0.00 H new ATOM 0 HB3 LYS A 133 -9.041 7.723 6.562 1.00 0.00 H new ATOM 0 HG2 LYS A 133 -8.233 7.416 8.776 1.00 0.00 H new ATOM 0 HG3 LYS A 133 -7.697 9.079 8.909 1.00 0.00 H new ATOM 0 HD2 LYS A 133 -10.605 8.698 8.360 1.00 0.00 H new ATOM 0 HD3 LYS A 133 -10.051 8.152 9.930 1.00 0.00 H new ATOM 0 HE2 LYS A 133 -8.791 10.571 9.809 1.00 0.00 H new ATOM 0 HE3 LYS A 133 -10.194 10.917 8.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 -10.611 11.419 11.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 -11.623 10.155 10.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 -10.263 9.819 11.586 1.00 0.00 H new ATOM 2119 N ALA A 134 -6.702 6.795 4.799 1.00 0.00 N ATOM 2120 CA ALA A 134 -6.691 6.126 3.492 1.00 0.00 C ATOM 2121 C ALA A 134 -7.756 5.028 3.413 1.00 0.00 C ATOM 2122 O ALA A 134 -8.088 4.406 4.421 1.00 0.00 O ATOM 2123 CB ALA A 134 -5.311 5.551 3.213 1.00 0.00 C ATOM 0 H ALA A 134 -6.349 6.224 5.567 1.00 0.00 H new ATOM 0 HA ALA A 134 -6.929 6.869 2.731 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -5.312 5.057 2.242 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -4.575 6.355 3.210 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -5.055 4.828 3.987 1.00 0.00 H new ATOM 2129 N ARG A 135 -8.308 4.807 2.213 1.00 0.00 N ATOM 2130 CA ARG A 135 -9.359 3.791 2.039 1.00 0.00 C ATOM 2131 C ARG A 135 -9.224 2.970 0.763 1.00 0.00 C ATOM 2132 O ARG A 135 -9.219 3.519 -0.335 1.00 0.00 O ATOM 2133 CB ARG A 135 -10.736 4.449 2.024 1.00 0.00 C ATOM 2134 CG ARG A 135 -10.727 5.871 1.488 1.00 0.00 C ATOM 2135 CD ARG A 135 -11.846 6.101 0.484 1.00 0.00 C ATOM 2136 NE ARG A 135 -12.723 7.199 0.882 1.00 0.00 N ATOM 2137 CZ ARG A 135 -13.456 7.912 0.030 1.00 0.00 C ATOM 2138 NH1 ARG A 135 -13.435 7.639 -1.269 1.00 0.00 N ATOM 2139 NH2 ARG A 135 -14.219 8.900 0.479 1.00 0.00 N ATOM 0 H ARG A 135 -8.052 5.307 1.361 1.00 0.00 H new ATOM 0 HA ARG A 135 -9.243 3.115 2.886 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -11.411 3.845 1.417 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -11.138 4.454 3.037 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -10.831 6.573 2.316 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -9.766 6.076 1.015 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -11.416 6.317 -0.494 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -12.433 5.188 0.380 1.00 0.00 H new ATOM 0 HE ARG A 135 -12.777 7.434 1.873 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -12.854 6.878 -1.621 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -14.000 8.190 -1.915 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -14.244 9.113 1.476 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -14.781 9.447 -0.173 1.00 0.00 H new ATOM 2153 N VAL A 136 -9.181 1.642 0.911 1.00 0.00 N ATOM 2154 CA VAL A 136 -9.129 0.757 -0.248 1.00 0.00 C ATOM 2155 C VAL A 136 -10.185 -0.342 -0.158 1.00 0.00 C ATOM 2156 O VAL A 136 -10.076 -1.230 0.680 1.00 0.00 O ATOM 2157 CB VAL A 136 -7.757 0.082 -0.385 1.00 0.00 C ATOM 2158 CG1 VAL A 136 -7.646 -0.636 -1.724 1.00 0.00 C ATOM 2159 CG2 VAL A 136 -6.648 1.100 -0.216 1.00 0.00 C ATOM 0 H VAL A 136 -9.181 1.164 1.812 1.00 0.00 H new ATOM 0 HA VAL A 136 -9.318 1.386 -1.118 1.00 0.00 H new ATOM 0 HB VAL A 136 -7.654 -0.663 0.404 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -6.667 -1.108 -1.803 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -8.423 -1.397 -1.794 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -7.768 0.083 -2.534 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -5.682 0.605 -0.316 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -6.742 1.871 -0.981 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -6.721 1.557 0.771 1.00 0.00 H new ATOM 2169 N ILE A 137 -11.162 -0.304 -1.064 1.00 0.00 N ATOM 2170 CA ILE A 137 -12.219 -1.306 -1.139 1.00 0.00 C ATOM 2171 C ILE A 137 -11.860 -2.373 -2.165 1.00 0.00 C ATOM 2172 O ILE A 137 -11.777 -2.108 -3.362 1.00 0.00 O ATOM 2173 CB ILE A 137 -13.591 -0.663 -1.475 1.00 0.00 C ATOM 2174 CG1 ILE A 137 -14.323 -0.305 -0.177 1.00 0.00 C ATOM 2175 CG2 ILE A 137 -14.447 -1.593 -2.328 1.00 0.00 C ATOM 2176 CD1 ILE A 137 -15.796 -0.002 -0.356 1.00 0.00 C ATOM 0 H ILE A 137 -11.241 0.428 -1.770 1.00 0.00 H new ATOM 0 HA ILE A 137 -12.308 -1.774 -0.159 1.00 0.00 H new ATOM 0 HB ILE A 137 -13.413 0.244 -2.053 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -14.217 -1.131 0.526 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -13.838 0.561 0.273 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -15.401 -1.112 -2.545 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -13.929 -1.810 -3.262 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -14.624 -2.523 -1.787 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -16.237 0.241 0.610 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -15.914 0.845 -1.032 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -16.298 -0.874 -0.775 1.00 0.00 H new ATOM 2188 N LEU A 138 -11.631 -3.577 -1.665 1.00 0.00 N ATOM 2189 CA LEU A 138 -11.253 -4.713 -2.488 1.00 0.00 C ATOM 2190 C LEU A 138 -12.378 -5.723 -2.561 1.00 0.00 C ATOM 2191 O LEU A 138 -13.210 -5.793 -1.669 1.00 0.00 O ATOM 2192 CB LEU A 138 -9.979 -5.350 -1.951 1.00 0.00 C ATOM 2193 CG LEU A 138 -8.818 -4.373 -1.765 1.00 0.00 C ATOM 2194 CD1 LEU A 138 -7.492 -5.108 -1.832 1.00 0.00 C ATOM 2195 CD2 LEU A 138 -8.879 -3.262 -2.813 1.00 0.00 C ATOM 0 H LEU A 138 -11.703 -3.794 -0.671 1.00 0.00 H new ATOM 0 HA LEU A 138 -11.059 -4.360 -3.501 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -10.198 -5.822 -0.993 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -9.667 -6.141 -2.633 1.00 0.00 H new ATOM 0 HG LEU A 138 -8.904 -3.914 -0.780 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -6.676 -4.398 -1.698 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -7.453 -5.860 -1.044 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -7.394 -5.594 -2.803 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -8.045 -2.576 -2.665 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -8.817 -3.698 -3.810 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -9.818 -2.718 -2.712 1.00 0.00 H new ATOM 2207 N ASP A 139 -12.417 -6.479 -3.644 1.00 0.00 N ATOM 2208 CA ASP A 139 -13.483 -7.457 -3.845 1.00 0.00 C ATOM 2209 C ASP A 139 -13.207 -8.746 -3.082 1.00 0.00 C ATOM 2210 O ASP A 139 -12.065 -9.189 -2.970 1.00 0.00 O ATOM 2211 CB ASP A 139 -13.643 -7.760 -5.338 1.00 0.00 C ATOM 2212 CG ASP A 139 -14.988 -7.316 -5.879 1.00 0.00 C ATOM 2213 OD1 ASP A 139 -16.002 -7.969 -5.555 1.00 0.00 O ATOM 2214 OD2 ASP A 139 -15.027 -6.317 -6.625 1.00 0.00 O ATOM 0 H ASP A 139 -11.729 -6.439 -4.396 1.00 0.00 H new ATOM 0 HA ASP A 139 -14.408 -7.028 -3.460 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -12.849 -7.262 -5.894 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -13.524 -8.831 -5.503 1.00 0.00 H new ATOM 2219 N LEU A 140 -14.288 -9.316 -2.541 1.00 0.00 N ATOM 2220 CA LEU A 140 -14.246 -10.545 -1.747 1.00 0.00 C ATOM 2221 C LEU A 140 -13.070 -11.439 -2.130 1.00 0.00 C ATOM 2222 O LEU A 140 -12.741 -11.497 -3.334 1.00 0.00 O ATOM 2223 CB LEU A 140 -15.554 -11.323 -1.914 1.00 0.00 C ATOM 2224 CG LEU A 140 -16.055 -12.028 -0.652 1.00 0.00 C ATOM 2225 CD1 LEU A 140 -16.188 -11.038 0.495 1.00 0.00 C ATOM 2226 CD2 LEU A 140 -17.383 -12.718 -0.921 1.00 0.00 C ATOM 2227 OXT LEU A 140 -12.491 -12.075 -1.225 1.00 0.00 O ATOM 0 H LEU A 140 -15.227 -8.932 -2.644 1.00 0.00 H new ATOM 0 HA LEU A 140 -14.116 -10.251 -0.705 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -16.326 -10.635 -2.258 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -15.418 -12.068 -2.698 1.00 0.00 H new ATOM 0 HG LEU A 140 -15.325 -12.786 -0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -16.545 -11.557 1.384 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -15.217 -10.589 0.703 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -16.897 -10.257 0.221 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -17.725 -13.215 -0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -18.121 -11.978 -1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -17.256 -13.456 -1.713 1.00 0.00 H new TER 2239 LEU A 140