USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 632 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 NoAdj : A 21 ASNHD21 : A 21 ASN OD1 : A1085 CACA :(metal ligand) USER MOD NoAdj : A 21 ASNHD22 : A 21 ASN OD1 : A1085 CACA :(metal ligand) USER MOD Single : A 1 ALA N :NH3+ -126:sc= 0.0735 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.371 X(o=-0.37,f=-0.16) USER MOD Single : A 6 GLN : amide:sc= -0.292 X(o=-0.29,f=-0.035) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 146:sc= 0.088 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0.00953 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 145:sc= -0.327 USER MOD Single : A 40 SER OG : rot 39:sc= 0.0599 USER MOD Single : A 42 THR OG1 : rot -170:sc= 0.0599 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -6.52! C(o=-6.5!,f=-12!) USER MOD Single : A 49 MET CE :methyl -166:sc= -5.4! (180deg=-5.91) USER MOD Single : A 50 MET CE :methyl 148:sc= -8.78! (180deg=-9.44!) USER MOD Single : A 55 THR OG1 : rot -30:sc= -1.83! USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.281 X(o=-0.28,f=-0.3) USER MOD Single : A 67 THR OG1 : rot 86:sc= 1.22 USER MOD Single : A 73 ASN : amide:sc= -2.66! C(o=-2.7!,f=-3.9!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 172:sc= 0.0312 (180deg=0.0198) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 6.738 -13.521 4.743 1.00 0.00 N ATOM 2 CA ALA A 1 7.541 -14.614 4.126 1.00 0.00 C ATOM 3 C ALA A 1 7.710 -14.341 2.630 1.00 0.00 C ATOM 4 O ALA A 1 7.554 -13.227 2.171 1.00 0.00 O ATOM 5 CB ALA A 1 6.821 -15.949 4.323 1.00 0.00 C ATOM 0 H1 ALA A 1 7.259 -13.120 5.549 1.00 0.00 H new ATOM 0 H2 ALA A 1 6.565 -12.777 4.038 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.829 -13.902 5.074 1.00 0.00 H new ATOM 0 HA ALA A 1 8.522 -14.657 4.600 1.00 0.00 H new ATOM 0 HB1 ALA A 1 7.408 -16.749 3.872 1.00 0.00 H new ATOM 0 HB2 ALA A 1 6.701 -16.144 5.389 1.00 0.00 H new ATOM 0 HB3 ALA A 1 5.840 -15.907 3.849 1.00 0.00 H new ATOM 13 N ASP A 2 8.030 -15.350 1.866 1.00 0.00 N ATOM 14 CA ASP A 2 8.208 -15.148 0.400 1.00 0.00 C ATOM 15 C ASP A 2 6.962 -14.475 -0.178 1.00 0.00 C ATOM 16 O ASP A 2 7.023 -13.791 -1.180 1.00 0.00 O ATOM 17 CB ASP A 2 8.418 -16.503 -0.280 1.00 0.00 C ATOM 18 CG ASP A 2 9.664 -17.175 0.297 1.00 0.00 C ATOM 19 OD1 ASP A 2 10.479 -16.474 0.874 1.00 0.00 O ATOM 20 OD2 ASP A 2 9.783 -18.381 0.153 1.00 0.00 O ATOM 0 H ASP A 2 8.176 -16.305 2.194 1.00 0.00 H new ATOM 0 HA ASP A 2 9.077 -14.514 0.224 1.00 0.00 H new ATOM 0 HB2 ASP A 2 7.545 -17.138 -0.127 1.00 0.00 H new ATOM 0 HB3 ASP A 2 8.529 -16.369 -1.356 1.00 0.00 H new ATOM 25 N ASP A 3 5.831 -14.662 0.446 1.00 25.00 N ATOM 26 CA ASP A 3 4.582 -14.032 -0.069 1.00 25.00 C ATOM 27 C ASP A 3 4.510 -12.580 0.404 1.00 25.00 C ATOM 28 O ASP A 3 5.212 -12.177 1.310 1.00 25.00 O ATOM 29 CB ASP A 3 3.369 -14.803 0.458 1.00 25.00 C ATOM 30 CG ASP A 3 3.372 -14.773 1.988 1.00 25.00 C ATOM 31 OD1 ASP A 3 4.128 -13.994 2.545 1.00 25.00 O ATOM 32 OD2 ASP A 3 2.619 -15.531 2.576 1.00 25.00 O ATOM 0 H ASP A 3 5.718 -15.224 1.290 1.00 25.00 H new ATOM 0 HA ASP A 3 4.584 -14.058 -1.159 1.00 25.00 H new ATOM 0 HB2 ASP A 3 2.449 -14.360 0.077 1.00 25.00 H new ATOM 0 HB3 ASP A 3 3.397 -15.833 0.104 1.00 25.00 H new ATOM 37 N HIS A 4 3.667 -11.789 -0.201 1.00 25.00 N ATOM 38 CA HIS A 4 3.551 -10.361 0.215 1.00 25.00 C ATOM 39 C HIS A 4 2.273 -10.179 1.036 1.00 25.00 C ATOM 40 O HIS A 4 1.474 -11.084 1.163 1.00 25.00 O ATOM 41 CB HIS A 4 3.488 -9.443 -1.018 1.00 50.00 C ATOM 42 CG HIS A 4 3.717 -10.233 -2.281 1.00 50.00 C ATOM 43 ND1 HIS A 4 2.711 -10.445 -3.209 1.00 50.00 N ATOM 44 CD2 HIS A 4 4.829 -10.864 -2.781 1.00 50.00 C ATOM 45 CE1 HIS A 4 3.231 -11.177 -4.211 1.00 50.00 C ATOM 46 NE2 HIS A 4 4.520 -11.459 -4.000 1.00 50.00 N ATOM 0 H HIS A 4 3.053 -12.069 -0.966 1.00 25.00 H new ATOM 0 HA HIS A 4 4.425 -10.097 0.810 1.00 25.00 H new ATOM 0 HB2 HIS A 4 2.517 -8.951 -1.062 1.00 50.00 H new ATOM 0 HB3 HIS A 4 4.240 -8.658 -0.932 1.00 50.00 H new ATOM 0 HD2 HIS A 4 5.796 -10.894 -2.301 1.00 50.00 H new ATOM 0 HE1 HIS A 4 2.675 -11.497 -5.079 1.00 50.00 H new ATOM 0 HE2 HIS A 4 5.144 -11.995 -4.603 1.00 50.00 H new ATOM 54 N PRO A 5 2.077 -8.975 1.594 1.00 25.00 N ATOM 55 CA PRO A 5 0.889 -8.663 2.398 1.00 25.00 C ATOM 56 C PRO A 5 -0.370 -8.611 1.529 1.00 25.00 C ATOM 57 O PRO A 5 -1.475 -8.779 2.003 1.00 25.00 O ATOM 58 CB PRO A 5 1.193 -7.278 2.966 1.00 50.00 C ATOM 59 CG PRO A 5 2.164 -6.683 2.002 1.00 50.00 C ATOM 60 CD PRO A 5 2.993 -7.826 1.487 1.00 50.00 C ATOM 0 HA PRO A 5 0.697 -9.414 3.165 1.00 25.00 H new ATOM 0 HB2 PRO A 5 0.289 -6.674 3.043 1.00 50.00 H new ATOM 0 HB3 PRO A 5 1.618 -7.344 3.967 1.00 50.00 H new ATOM 0 HG2 PRO A 5 1.645 -6.180 1.186 1.00 50.00 H new ATOM 0 HG3 PRO A 5 2.790 -5.936 2.490 1.00 50.00 H new ATOM 0 HD2 PRO A 5 3.314 -7.660 0.459 1.00 50.00 H new ATOM 0 HD3 PRO A 5 3.894 -7.971 2.083 1.00 50.00 H new ATOM 68 N GLN A 6 -0.203 -8.383 0.254 1.00 25.00 N ATOM 69 CA GLN A 6 -1.380 -8.323 -0.656 1.00 25.00 C ATOM 70 C GLN A 6 -2.088 -9.678 -0.659 1.00 25.00 C ATOM 71 O GLN A 6 -3.298 -9.759 -0.716 1.00 25.00 O ATOM 72 CB GLN A 6 -0.909 -7.994 -2.074 1.00 25.00 C ATOM 73 CG GLN A 6 -1.030 -6.488 -2.318 1.00 25.00 C ATOM 74 CD GLN A 6 -0.138 -6.090 -3.494 1.00 25.00 C ATOM 75 OE1 GLN A 6 -0.586 -5.443 -4.420 1.00 25.00 O ATOM 76 NE2 GLN A 6 1.116 -6.450 -3.499 1.00 25.00 N ATOM 0 H GLN A 6 0.700 -8.236 -0.196 1.00 25.00 H new ATOM 0 HA GLN A 6 -2.069 -7.552 -0.312 1.00 25.00 H new ATOM 0 HB2 GLN A 6 0.125 -8.313 -2.208 1.00 25.00 H new ATOM 0 HB3 GLN A 6 -1.508 -8.540 -2.803 1.00 25.00 H new ATOM 0 HG2 GLN A 6 -2.067 -6.225 -2.528 1.00 25.00 H new ATOM 0 HG3 GLN A 6 -0.737 -5.939 -1.423 1.00 25.00 H new ATOM 0 HE21 GLN A 6 1.494 -6.993 -2.723 1.00 25.00 H new ATOM 0 HE22 GLN A 6 1.719 -6.188 -4.279 1.00 25.00 H new ATOM 85 N ASP A 7 -1.338 -10.743 -0.600 1.00 16.66 N ATOM 86 CA ASP A 7 -1.963 -12.096 -0.602 1.00 16.66 C ATOM 87 C ASP A 7 -2.942 -12.211 0.566 1.00 16.66 C ATOM 88 O ASP A 7 -4.104 -12.519 0.390 1.00 16.66 O ATOM 89 CB ASP A 7 -0.874 -13.162 -0.461 1.00 16.66 C ATOM 90 CG ASP A 7 -0.027 -13.197 -1.735 1.00 16.66 C ATOM 91 OD1 ASP A 7 -0.374 -12.500 -2.674 1.00 50.00 O ATOM 92 OD2 ASP A 7 0.954 -13.923 -1.750 1.00 50.00 O ATOM 0 H ASP A 7 -0.319 -10.735 -0.550 1.00 16.66 H new ATOM 0 HA ASP A 7 -2.499 -12.245 -1.539 1.00 16.66 H new ATOM 0 HB2 ASP A 7 -0.244 -12.942 0.401 1.00 16.66 H new ATOM 0 HB3 ASP A 7 -1.326 -14.138 -0.285 1.00 16.66 H new ATOM 97 N LYS A 8 -2.477 -11.968 1.757 1.00 16.66 N ATOM 98 CA LYS A 8 -3.372 -12.064 2.944 1.00 16.66 C ATOM 99 C LYS A 8 -4.716 -11.410 2.632 1.00 16.66 C ATOM 100 O LYS A 8 -5.754 -11.860 3.073 1.00 16.66 O ATOM 101 CB LYS A 8 -2.721 -11.349 4.128 1.00 16.66 C ATOM 102 CG LYS A 8 -1.735 -12.295 4.811 1.00 16.66 C ATOM 103 CD LYS A 8 -1.336 -11.720 6.172 1.00 16.66 C ATOM 104 CE LYS A 8 -0.326 -12.653 6.844 1.00 50.00 C ATOM 105 NZ LYS A 8 0.898 -11.883 7.203 1.00 50.00 N ATOM 0 H LYS A 8 -1.513 -11.706 1.962 1.00 16.66 H new ATOM 0 HA LYS A 8 -3.532 -13.113 3.192 1.00 16.66 H new ATOM 0 HB2 LYS A 8 -2.204 -10.452 3.786 1.00 16.66 H new ATOM 0 HB3 LYS A 8 -3.484 -11.027 4.837 1.00 16.66 H new ATOM 0 HG2 LYS A 8 -2.187 -13.279 4.938 1.00 16.66 H new ATOM 0 HG3 LYS A 8 -0.851 -12.429 4.187 1.00 16.66 H new ATOM 0 HD2 LYS A 8 -0.903 -10.728 6.047 1.00 16.66 H new ATOM 0 HD3 LYS A 8 -2.217 -11.606 6.803 1.00 16.66 H new ATOM 0 HE2 LYS A 8 -0.764 -13.098 7.738 1.00 50.00 H new ATOM 0 HE3 LYS A 8 -0.069 -13.473 6.173 1.00 50.00 H new ATOM 0 HZ1 LYS A 8 1.585 -12.516 7.660 1.00 50.00 H new ATOM 0 HZ2 LYS A 8 1.319 -11.479 6.342 1.00 50.00 H new ATOM 0 HZ3 LYS A 8 0.646 -11.116 7.858 1.00 50.00 H new ATOM 119 N ALA A 9 -4.706 -10.351 1.874 1.00 16.66 N ATOM 120 CA ALA A 9 -5.987 -9.669 1.535 1.00 16.66 C ATOM 121 C ALA A 9 -6.886 -10.644 0.780 1.00 16.66 C ATOM 122 O ALA A 9 -8.061 -10.773 1.065 1.00 16.66 O ATOM 123 CB ALA A 9 -5.704 -8.447 0.658 1.00 16.66 C ATOM 0 H ALA A 9 -3.868 -9.928 1.474 1.00 16.66 H new ATOM 0 HA ALA A 9 -6.483 -9.344 2.450 1.00 16.66 H new ATOM 0 HB1 ALA A 9 -6.643 -7.951 0.412 1.00 16.66 H new ATOM 0 HB2 ALA A 9 -5.058 -7.754 1.197 1.00 16.66 H new ATOM 0 HB3 ALA A 9 -5.210 -8.765 -0.260 1.00 16.66 H new ATOM 129 N GLU A 10 -6.342 -11.335 -0.176 1.00 16.66 N ATOM 130 CA GLU A 10 -7.163 -12.310 -0.946 1.00 16.66 C ATOM 131 C GLU A 10 -7.492 -13.498 -0.044 1.00 16.66 C ATOM 132 O GLU A 10 -8.556 -14.078 -0.125 1.00 16.66 O ATOM 133 CB GLU A 10 -6.375 -12.794 -2.164 1.00 16.66 C ATOM 134 CG GLU A 10 -5.847 -11.588 -2.943 1.00 16.66 C ATOM 135 CD GLU A 10 -5.162 -12.068 -4.224 1.00 16.66 C ATOM 136 OE1 GLU A 10 -4.952 -13.263 -4.349 1.00 16.66 O ATOM 137 OE2 GLU A 10 -4.859 -11.231 -5.059 1.00 16.66 O ATOM 0 H GLU A 10 -5.365 -11.269 -0.460 1.00 16.66 H new ATOM 0 HA GLU A 10 -8.084 -11.834 -1.283 1.00 16.66 H new ATOM 0 HB2 GLU A 10 -5.546 -13.426 -1.846 1.00 16.66 H new ATOM 0 HB3 GLU A 10 -7.013 -13.403 -2.804 1.00 16.66 H new ATOM 0 HG2 GLU A 10 -6.667 -10.912 -3.188 1.00 16.66 H new ATOM 0 HG3 GLU A 10 -5.143 -11.026 -2.330 1.00 16.66 H new ATOM 144 N ARG A 11 -6.585 -13.862 0.818 1.00 16.66 N ATOM 145 CA ARG A 11 -6.840 -15.011 1.729 1.00 16.66 C ATOM 146 C ARG A 11 -7.861 -14.604 2.789 1.00 16.66 C ATOM 147 O ARG A 11 -8.743 -15.364 3.141 1.00 16.66 O ATOM 148 CB ARG A 11 -5.534 -15.416 2.412 1.00 16.66 C ATOM 149 CG ARG A 11 -4.620 -16.103 1.398 1.00 16.66 C ATOM 150 CD ARG A 11 -3.466 -16.784 2.131 1.00 50.00 C ATOM 151 NE ARG A 11 -2.555 -15.743 2.675 1.00 50.00 N ATOM 152 CZ ARG A 11 -1.451 -16.085 3.282 1.00 50.00 C ATOM 153 NH1 ARG A 11 -1.191 -17.344 3.509 1.00 50.00 N ATOM 154 NH2 ARG A 11 -0.605 -15.166 3.660 1.00 50.00 N ATOM 0 H ARG A 11 -5.676 -13.412 0.931 1.00 16.66 H new ATOM 0 HA ARG A 11 -7.228 -15.852 1.154 1.00 16.66 H new ATOM 0 HB2 ARG A 11 -5.040 -14.537 2.826 1.00 16.66 H new ATOM 0 HB3 ARG A 11 -5.740 -16.088 3.245 1.00 16.66 H new ATOM 0 HG2 ARG A 11 -5.184 -16.838 0.824 1.00 16.66 H new ATOM 0 HG3 ARG A 11 -4.233 -15.372 0.688 1.00 16.66 H new ATOM 0 HD2 ARG A 11 -3.849 -17.408 2.938 1.00 50.00 H new ATOM 0 HD3 ARG A 11 -2.923 -17.441 1.451 1.00 50.00 H new ATOM 0 HE ARG A 11 -2.794 -14.757 2.574 1.00 50.00 H new ATOM 0 HH11 ARG A 11 -1.851 -18.063 3.212 1.00 50.00 H new ATOM 0 HH12 ARG A 11 -0.328 -17.609 3.983 1.00 50.00 H new ATOM 0 HH21 ARG A 11 -0.807 -14.182 3.481 1.00 50.00 H new ATOM 0 HH22 ARG A 11 0.258 -15.431 4.134 1.00 50.00 H new ATOM 168 N GLU A 12 -7.752 -13.412 3.300 1.00 16.66 N ATOM 169 CA GLU A 12 -8.714 -12.956 4.333 1.00 16.66 C ATOM 170 C GLU A 12 -10.089 -12.771 3.692 1.00 16.66 C ATOM 171 O GLU A 12 -11.105 -13.081 4.280 1.00 16.66 O ATOM 172 CB GLU A 12 -8.231 -11.632 4.927 1.00 16.66 C ATOM 173 CG GLU A 12 -8.266 -10.540 3.856 1.00 16.66 C ATOM 174 CD GLU A 12 -7.924 -9.191 4.493 1.00 16.66 C ATOM 175 OE1 GLU A 12 -7.334 -9.196 5.560 1.00 50.00 O ATOM 176 OE2 GLU A 12 -8.259 -8.178 3.901 1.00 50.00 O ATOM 0 H GLU A 12 -7.035 -12.733 3.045 1.00 16.66 H new ATOM 0 HA GLU A 12 -8.785 -13.698 5.128 1.00 16.66 H new ATOM 0 HB2 GLU A 12 -8.863 -11.349 5.769 1.00 16.66 H new ATOM 0 HB3 GLU A 12 -7.218 -11.744 5.312 1.00 16.66 H new ATOM 0 HG2 GLU A 12 -7.555 -10.771 3.063 1.00 16.66 H new ATOM 0 HG3 GLU A 12 -9.254 -10.498 3.397 1.00 16.66 H new ATOM 183 N ARG A 13 -10.129 -12.273 2.489 1.00 16.66 N ATOM 184 CA ARG A 13 -11.439 -12.075 1.813 1.00 16.66 C ATOM 185 C ARG A 13 -12.073 -13.436 1.532 1.00 16.66 C ATOM 186 O ARG A 13 -13.257 -13.631 1.718 1.00 16.66 O ATOM 187 CB ARG A 13 -11.231 -11.325 0.495 1.00 16.66 C ATOM 188 CG ARG A 13 -11.076 -9.829 0.777 1.00 16.66 C ATOM 189 CD ARG A 13 -10.193 -9.196 -0.300 1.00 16.66 C ATOM 190 NE ARG A 13 -11.034 -8.358 -1.203 1.00 50.00 N ATOM 191 CZ ARG A 13 -10.776 -8.316 -2.480 1.00 50.00 C ATOM 192 NH1 ARG A 13 -11.514 -8.993 -3.318 1.00 50.00 N ATOM 193 NH2 ARG A 13 -9.780 -7.597 -2.921 1.00 50.00 N ATOM 0 H ARG A 13 -9.312 -11.995 1.945 1.00 16.66 H new ATOM 0 HA ARG A 13 -12.096 -11.492 2.458 1.00 16.66 H new ATOM 0 HB2 ARG A 13 -10.345 -11.703 -0.015 1.00 16.66 H new ATOM 0 HB3 ARG A 13 -12.078 -11.495 -0.170 1.00 16.66 H new ATOM 0 HG2 ARG A 13 -12.054 -9.347 0.790 1.00 16.66 H new ATOM 0 HG3 ARG A 13 -10.633 -9.678 1.761 1.00 16.66 H new ATOM 0 HD2 ARG A 13 -9.418 -8.585 0.163 1.00 16.66 H new ATOM 0 HD3 ARG A 13 -9.687 -9.973 -0.874 1.00 16.66 H new ATOM 0 HE ARG A 13 -11.811 -7.818 -0.821 1.00 50.00 H new ATOM 0 HH11 ARG A 13 -12.292 -9.555 -2.973 1.00 50.00 H new ATOM 0 HH12 ARG A 13 -11.312 -8.960 -4.317 1.00 50.00 H new ATOM 0 HH21 ARG A 13 -9.204 -7.068 -2.266 1.00 50.00 H new ATOM 0 HH22 ARG A 13 -9.578 -7.564 -3.920 1.00 50.00 H new ATOM 207 N ILE A 14 -11.291 -14.384 1.094 1.00 16.66 N ATOM 208 CA ILE A 14 -11.849 -15.733 0.813 1.00 16.66 C ATOM 209 C ILE A 14 -12.223 -16.403 2.135 1.00 16.66 C ATOM 210 O ILE A 14 -13.291 -16.965 2.278 1.00 16.66 O ATOM 211 CB ILE A 14 -10.800 -16.578 0.090 1.00 50.00 C ATOM 212 CG1 ILE A 14 -10.348 -15.850 -1.177 1.00 50.00 C ATOM 213 CG2 ILE A 14 -11.406 -17.931 -0.285 1.00 50.00 C ATOM 214 CD1 ILE A 14 -8.951 -16.335 -1.573 1.00 50.00 C ATOM 0 H ILE A 14 -10.291 -14.281 0.919 1.00 16.66 H new ATOM 0 HA ILE A 14 -12.734 -15.642 0.183 1.00 16.66 H new ATOM 0 HB ILE A 14 -9.943 -16.735 0.744 1.00 50.00 H new ATOM 0 HG12 ILE A 14 -11.053 -16.036 -1.987 1.00 50.00 H new ATOM 0 HG13 ILE A 14 -10.336 -14.774 -1.006 1.00 50.00 H new ATOM 0 HG21 ILE A 14 -10.659 -18.534 -0.801 1.00 50.00 H new ATOM 0 HG22 ILE A 14 -11.729 -18.448 0.619 1.00 50.00 H new ATOM 0 HG23 ILE A 14 -12.263 -17.777 -0.941 1.00 50.00 H new ATOM 0 HD11 ILE A 14 -8.628 -15.817 -2.476 1.00 50.00 H new ATOM 0 HD12 ILE A 14 -8.251 -16.126 -0.764 1.00 50.00 H new ATOM 0 HD13 ILE A 14 -8.978 -17.408 -1.761 1.00 50.00 H new ATOM 226 N PHE A 15 -11.353 -16.342 3.105 1.00 16.66 N ATOM 227 CA PHE A 15 -11.664 -16.969 4.416 1.00 16.66 C ATOM 228 C PHE A 15 -12.852 -16.246 5.050 1.00 16.66 C ATOM 229 O PHE A 15 -13.678 -16.846 5.708 1.00 16.66 O ATOM 230 CB PHE A 15 -10.451 -16.866 5.343 1.00 16.66 C ATOM 231 CG PHE A 15 -10.779 -17.544 6.653 1.00 16.66 C ATOM 232 CD1 PHE A 15 -11.385 -16.822 7.687 1.00 16.66 C ATOM 233 CD2 PHE A 15 -10.483 -18.902 6.828 1.00 16.66 C ATOM 234 CE1 PHE A 15 -11.699 -17.458 8.896 1.00 16.66 C ATOM 235 CE2 PHE A 15 -10.794 -19.537 8.036 1.00 16.66 C ATOM 236 CZ PHE A 15 -11.402 -18.816 9.071 1.00 16.66 C ATOM 0 H PHE A 15 -10.443 -15.886 3.045 1.00 16.66 H new ATOM 0 HA PHE A 15 -11.909 -18.020 4.265 1.00 16.66 H new ATOM 0 HB2 PHE A 15 -9.583 -17.337 4.882 1.00 16.66 H new ATOM 0 HB3 PHE A 15 -10.194 -15.820 5.513 1.00 16.66 H new ATOM 0 HD1 PHE A 15 -11.611 -15.774 7.554 1.00 16.66 H new ATOM 0 HD2 PHE A 15 -10.015 -19.459 6.030 1.00 16.66 H new ATOM 0 HE1 PHE A 15 -12.170 -16.901 9.693 1.00 16.66 H new ATOM 0 HE2 PHE A 15 -10.565 -20.584 8.170 1.00 16.66 H new ATOM 0 HZ PHE A 15 -11.642 -19.306 10.003 1.00 16.66 H new ATOM 246 N LYS A 16 -12.945 -14.961 4.852 1.00 16.66 N ATOM 247 CA LYS A 16 -14.082 -14.199 5.440 1.00 16.66 C ATOM 248 C LYS A 16 -15.389 -14.657 4.792 1.00 16.66 C ATOM 249 O LYS A 16 -16.432 -14.664 5.415 1.00 16.66 O ATOM 250 CB LYS A 16 -13.883 -12.702 5.187 1.00 50.00 C ATOM 251 CG LYS A 16 -12.958 -12.124 6.258 1.00 50.00 C ATOM 252 CD LYS A 16 -12.947 -10.598 6.153 1.00 50.00 C ATOM 253 CE LYS A 16 -11.837 -10.034 7.042 1.00 50.00 C ATOM 254 NZ LYS A 16 -12.183 -8.643 7.445 1.00 50.00 N ATOM 0 H LYS A 16 -12.284 -14.406 4.309 1.00 16.66 H new ATOM 0 HA LYS A 16 -14.124 -14.381 6.514 1.00 16.66 H new ATOM 0 HB2 LYS A 16 -13.455 -12.543 4.197 1.00 50.00 H new ATOM 0 HB3 LYS A 16 -14.844 -12.188 5.205 1.00 50.00 H new ATOM 0 HG2 LYS A 16 -13.296 -12.429 7.248 1.00 50.00 H new ATOM 0 HG3 LYS A 16 -11.949 -12.515 6.131 1.00 50.00 H new ATOM 0 HD2 LYS A 16 -12.788 -10.295 5.118 1.00 50.00 H new ATOM 0 HD3 LYS A 16 -13.913 -10.195 6.458 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -11.711 -10.659 7.926 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -10.887 -10.044 6.507 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -11.429 -8.259 8.049 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 -12.282 -8.050 6.596 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 -13.080 -8.647 7.971 1.00 50.00 H new ATOM 268 N ARG A 17 -15.341 -15.049 3.548 1.00 16.66 N ATOM 269 CA ARG A 17 -16.581 -15.516 2.869 1.00 16.66 C ATOM 270 C ARG A 17 -16.993 -16.867 3.451 1.00 16.66 C ATOM 271 O ARG A 17 -18.163 -17.161 3.601 1.00 16.66 O ATOM 272 CB ARG A 17 -16.316 -15.668 1.370 1.00 16.66 C ATOM 273 CG ARG A 17 -16.159 -14.285 0.736 1.00 16.66 C ATOM 274 CD ARG A 17 -16.126 -14.427 -0.786 1.00 50.00 C ATOM 275 NE ARG A 17 -15.430 -13.251 -1.382 1.00 50.00 N ATOM 276 CZ ARG A 17 -14.968 -13.316 -2.601 1.00 50.00 C ATOM 277 NH1 ARG A 17 -15.620 -12.746 -3.577 1.00 50.00 N ATOM 278 NH2 ARG A 17 -13.854 -13.950 -2.843 1.00 50.00 N ATOM 0 H ARG A 17 -14.498 -15.066 2.974 1.00 16.66 H new ATOM 0 HA ARG A 17 -17.379 -14.790 3.024 1.00 16.66 H new ATOM 0 HB2 ARG A 17 -15.414 -16.259 1.208 1.00 16.66 H new ATOM 0 HB3 ARG A 17 -17.138 -16.205 0.897 1.00 16.66 H new ATOM 0 HG2 ARG A 17 -16.985 -13.640 1.035 1.00 16.66 H new ATOM 0 HG3 ARG A 17 -15.242 -13.813 1.089 1.00 16.66 H new ATOM 0 HD2 ARG A 17 -15.612 -15.347 -1.065 1.00 50.00 H new ATOM 0 HD3 ARG A 17 -17.141 -14.498 -1.177 1.00 50.00 H new ATOM 0 HE ARG A 17 -15.315 -12.396 -0.838 1.00 50.00 H new ATOM 0 HH11 ARG A 17 -16.491 -12.250 -3.387 1.00 50.00 H new ATOM 0 HH12 ARG A 17 -15.259 -12.797 -4.530 1.00 50.00 H new ATOM 0 HH21 ARG A 17 -13.344 -14.395 -2.080 1.00 50.00 H new ATOM 0 HH22 ARG A 17 -13.493 -14.001 -3.796 1.00 50.00 H new ATOM 292 N PHE A 18 -16.038 -17.690 3.783 1.00 16.66 N ATOM 293 CA PHE A 18 -16.369 -19.024 4.359 1.00 16.66 C ATOM 294 C PHE A 18 -17.028 -18.837 5.725 1.00 16.66 C ATOM 295 O PHE A 18 -18.047 -19.430 6.019 1.00 16.66 O ATOM 296 CB PHE A 18 -15.089 -19.845 4.515 1.00 16.66 C ATOM 297 CG PHE A 18 -14.686 -20.413 3.175 1.00 16.66 C ATOM 298 CD1 PHE A 18 -15.406 -21.477 2.619 1.00 16.66 C ATOM 299 CD2 PHE A 18 -13.590 -19.875 2.489 1.00 16.66 C ATOM 300 CE1 PHE A 18 -15.030 -22.004 1.376 1.00 16.66 C ATOM 301 CE2 PHE A 18 -13.214 -20.401 1.248 1.00 16.66 C ATOM 302 CZ PHE A 18 -13.935 -21.465 0.691 1.00 16.66 C ATOM 0 H PHE A 18 -15.042 -17.497 3.680 1.00 16.66 H new ATOM 0 HA PHE A 18 -17.055 -19.548 3.694 1.00 16.66 H new ATOM 0 HB2 PHE A 18 -14.289 -19.219 4.912 1.00 16.66 H new ATOM 0 HB3 PHE A 18 -15.247 -20.652 5.231 1.00 16.66 H new ATOM 0 HD1 PHE A 18 -16.251 -21.892 3.148 1.00 16.66 H new ATOM 0 HD2 PHE A 18 -13.035 -19.054 2.918 1.00 16.66 H new ATOM 0 HE1 PHE A 18 -15.585 -22.825 0.947 1.00 16.66 H new ATOM 0 HE2 PHE A 18 -12.368 -19.987 0.720 1.00 16.66 H new ATOM 0 HZ PHE A 18 -13.646 -21.870 -0.268 1.00 16.66 H new ATOM 312 N ASP A 19 -16.459 -18.015 6.560 1.00 16.66 N ATOM 313 CA ASP A 19 -17.061 -17.789 7.902 1.00 16.66 C ATOM 314 C ASP A 19 -18.478 -17.238 7.722 1.00 16.66 C ATOM 315 O ASP A 19 -18.669 -16.085 7.388 1.00 16.66 O ATOM 316 CB ASP A 19 -16.207 -16.790 8.689 1.00 16.66 C ATOM 317 CG ASP A 19 -16.457 -16.990 10.179 1.00 16.66 C ATOM 318 OD1 ASP A 19 -17.204 -17.890 10.508 1.00 16.66 O ATOM 319 OD2 ASP A 19 -15.892 -16.246 10.964 1.00 16.66 O ATOM 0 H ASP A 19 -15.605 -17.491 6.372 1.00 16.66 H new ATOM 0 HA ASP A 19 -17.101 -18.728 8.454 1.00 16.66 H new ATOM 0 HB2 ASP A 19 -15.151 -16.936 8.461 1.00 16.66 H new ATOM 0 HB3 ASP A 19 -16.458 -15.770 8.399 1.00 16.66 H new ATOM 324 N ALA A 20 -19.476 -18.062 7.913 1.00 16.66 N ATOM 325 CA ALA A 20 -20.884 -17.601 7.726 1.00 16.66 C ATOM 326 C ALA A 20 -21.271 -16.561 8.782 1.00 16.66 C ATOM 327 O ALA A 20 -21.770 -15.502 8.457 1.00 16.66 O ATOM 328 CB ALA A 20 -21.824 -18.803 7.834 1.00 50.00 C ATOM 0 H ALA A 20 -19.376 -19.038 8.192 1.00 16.66 H new ATOM 0 HA ALA A 20 -20.968 -17.139 6.742 1.00 16.66 H new ATOM 0 HB1 ALA A 20 -22.854 -18.473 7.698 1.00 50.00 H new ATOM 0 HB2 ALA A 20 -21.572 -19.532 7.064 1.00 50.00 H new ATOM 0 HB3 ALA A 20 -21.717 -19.262 8.817 1.00 50.00 H new ATOM 334 N ASN A 21 -21.066 -16.844 10.042 1.00 16.66 N ATOM 335 CA ASN A 21 -21.451 -15.848 11.084 1.00 16.66 C ATOM 336 C ASN A 21 -20.303 -14.861 11.302 1.00 16.66 C ATOM 337 O ASN A 21 -20.516 -13.717 11.651 1.00 16.66 O ATOM 338 CB ASN A 21 -21.810 -16.564 12.393 1.00 16.66 C ATOM 339 CG ASN A 21 -20.579 -17.232 13.010 1.00 16.66 C ATOM 340 OD1 ASN A 21 -19.681 -17.645 12.304 1.00 16.66 O ATOM 341 ND2 ASN A 21 -20.531 -17.353 14.308 1.00 16.66 N ATOM 0 H ASN A 21 -20.654 -17.710 10.391 1.00 16.66 H new ATOM 0 HA ASN A 21 -22.328 -15.295 10.748 1.00 16.66 H new ATOM 0 HB2 ASN A 21 -22.232 -15.848 13.099 1.00 16.66 H new ATOM 0 HB3 ASN A 21 -22.578 -17.314 12.202 1.00 16.66 H new ATOM 0 HD21 ASN A 21 -19.728 -17.802 14.749 1.00 16.66 H new ATOM 0 HD22 ASN A 21 -21.296 -16.999 14.882 1.00 16.66 H new ATOM 348 N GLY A 22 -19.092 -15.283 11.076 1.00 16.66 N ATOM 349 CA GLY A 22 -17.937 -14.355 11.249 1.00 16.66 C ATOM 350 C GLY A 22 -17.400 -14.434 12.679 1.00 16.66 C ATOM 351 O GLY A 22 -17.017 -13.438 13.260 1.00 16.66 O ATOM 0 H GLY A 22 -18.850 -16.228 10.779 1.00 16.66 H new ATOM 0 HA2 GLY A 22 -17.147 -14.611 10.542 1.00 16.66 H new ATOM 0 HA3 GLY A 22 -18.246 -13.334 11.026 1.00 16.66 H new ATOM 355 N ASP A 23 -17.352 -15.605 13.247 1.00 16.66 N ATOM 356 CA ASP A 23 -16.817 -15.726 14.634 1.00 16.66 C ATOM 357 C ASP A 23 -15.331 -16.094 14.573 1.00 16.66 C ATOM 358 O ASP A 23 -14.698 -16.330 15.582 1.00 16.66 O ATOM 359 CB ASP A 23 -17.595 -16.789 15.420 1.00 16.66 C ATOM 360 CG ASP A 23 -17.478 -18.152 14.735 1.00 16.66 C ATOM 361 OD1 ASP A 23 -17.098 -18.186 13.580 1.00 16.66 O ATOM 362 OD2 ASP A 23 -17.784 -19.142 15.381 1.00 16.66 O ATOM 0 H ASP A 23 -17.657 -16.478 12.817 1.00 16.66 H new ATOM 0 HA ASP A 23 -16.934 -14.771 15.147 1.00 16.66 H new ATOM 0 HB2 ASP A 23 -17.210 -16.852 16.438 1.00 16.66 H new ATOM 0 HB3 ASP A 23 -18.644 -16.501 15.494 1.00 16.66 H new ATOM 367 N GLY A 24 -14.766 -16.126 13.394 1.00 16.66 N ATOM 368 CA GLY A 24 -13.317 -16.457 13.265 1.00 16.66 C ATOM 369 C GLY A 24 -13.129 -17.958 13.035 1.00 16.66 C ATOM 370 O GLY A 24 -12.036 -18.417 12.771 1.00 16.66 O ATOM 0 H GLY A 24 -15.247 -15.937 12.514 1.00 16.66 H new ATOM 0 HA2 GLY A 24 -12.883 -15.899 12.436 1.00 16.66 H new ATOM 0 HA3 GLY A 24 -12.786 -16.152 14.167 1.00 16.66 H new ATOM 374 N LYS A 25 -14.173 -18.732 13.144 1.00 16.66 N ATOM 375 CA LYS A 25 -14.025 -20.201 12.940 1.00 16.66 C ATOM 376 C LYS A 25 -15.061 -20.694 11.927 1.00 16.66 C ATOM 377 O LYS A 25 -16.200 -20.256 11.914 1.00 16.66 O ATOM 378 CB LYS A 25 -14.224 -20.930 14.275 1.00 50.00 C ATOM 379 CG LYS A 25 -15.674 -20.783 14.734 1.00 50.00 C ATOM 380 CD LYS A 25 -15.980 -21.843 15.797 1.00 50.00 C ATOM 381 CE LYS A 25 -17.479 -22.148 15.793 1.00 50.00 C ATOM 382 NZ LYS A 25 -17.902 -22.585 17.155 1.00 50.00 N ATOM 0 H LYS A 25 -15.117 -18.414 13.364 1.00 16.66 H new ATOM 0 HA LYS A 25 -13.025 -20.409 12.559 1.00 16.66 H new ATOM 0 HB2 LYS A 25 -13.973 -21.985 14.165 1.00 50.00 H new ATOM 0 HB3 LYS A 25 -13.551 -20.519 15.028 1.00 50.00 H new ATOM 0 HG2 LYS A 25 -15.839 -19.785 15.141 1.00 50.00 H new ATOM 0 HG3 LYS A 25 -16.349 -20.897 13.886 1.00 50.00 H new ATOM 0 HD2 LYS A 25 -15.412 -22.751 15.595 1.00 50.00 H new ATOM 0 HD3 LYS A 25 -15.673 -21.487 16.780 1.00 50.00 H new ATOM 0 HE2 LYS A 25 -18.040 -21.263 15.493 1.00 50.00 H new ATOM 0 HE3 LYS A 25 -17.700 -22.928 15.064 1.00 50.00 H new ATOM 0 HZ1 LYS A 25 -18.870 -22.253 17.341 1.00 50.00 H new ATOM 0 HZ2 LYS A 25 -17.875 -23.623 17.211 1.00 50.00 H new ATOM 0 HZ3 LYS A 25 -17.256 -22.183 17.865 1.00 50.00 H new ATOM 396 N ILE A 26 -14.669 -21.609 11.082 1.00 16.66 N ATOM 397 CA ILE A 26 -15.614 -22.149 10.067 1.00 16.66 C ATOM 398 C ILE A 26 -15.915 -23.615 10.378 1.00 16.66 C ATOM 399 O ILE A 26 -15.027 -24.402 10.632 1.00 16.66 O ATOM 400 CB ILE A 26 -14.984 -22.043 8.679 1.00 16.66 C ATOM 401 CG1 ILE A 26 -14.271 -20.698 8.543 1.00 16.66 C ATOM 402 CG2 ILE A 26 -16.078 -22.148 7.613 1.00 16.66 C ATOM 403 CD1 ILE A 26 -13.776 -20.532 7.108 1.00 16.66 C ATOM 0 H ILE A 26 -13.730 -22.006 11.052 1.00 16.66 H new ATOM 0 HA ILE A 26 -16.540 -21.575 10.092 1.00 16.66 H new ATOM 0 HB ILE A 26 -14.265 -22.851 8.545 1.00 16.66 H new ATOM 0 HG12 ILE A 26 -14.950 -19.886 8.802 1.00 16.66 H new ATOM 0 HG13 ILE A 26 -13.432 -20.646 9.237 1.00 16.66 H new ATOM 0 HG21 ILE A 26 -15.629 -22.072 6.623 1.00 16.66 H new ATOM 0 HG22 ILE A 26 -16.588 -23.107 7.708 1.00 16.66 H new ATOM 0 HG23 ILE A 26 -16.797 -21.340 7.748 1.00 16.66 H new ATOM 0 HD11 ILE A 26 -13.267 -19.573 7.007 1.00 16.66 H new ATOM 0 HD12 ILE A 26 -13.083 -21.338 6.867 1.00 16.66 H new ATOM 0 HD13 ILE A 26 -14.624 -20.566 6.424 1.00 16.66 H new ATOM 415 N SER A 27 -17.163 -23.986 10.350 1.00 16.66 N ATOM 416 CA SER A 27 -17.534 -25.398 10.633 1.00 16.66 C ATOM 417 C SER A 27 -17.862 -26.090 9.312 1.00 16.66 C ATOM 418 O SER A 27 -18.044 -25.448 8.298 1.00 16.66 O ATOM 419 CB SER A 27 -18.763 -25.430 11.544 1.00 50.00 C ATOM 420 OG SER A 27 -19.938 -25.308 10.757 1.00 50.00 O ATOM 0 H SER A 27 -17.947 -23.367 10.142 1.00 16.66 H new ATOM 0 HA SER A 27 -16.708 -25.909 11.128 1.00 16.66 H new ATOM 0 HB2 SER A 27 -18.786 -26.362 12.109 1.00 50.00 H new ATOM 0 HB3 SER A 27 -18.712 -24.618 12.270 1.00 50.00 H new ATOM 0 HG SER A 27 -20.726 -25.330 11.340 1.00 50.00 H new ATOM 426 N ALA A 28 -17.943 -27.389 9.308 1.00 16.66 N ATOM 427 CA ALA A 28 -18.262 -28.094 8.038 1.00 16.66 C ATOM 428 C ALA A 28 -19.495 -27.448 7.413 1.00 16.66 C ATOM 429 O ALA A 28 -19.543 -27.194 6.226 1.00 16.66 O ATOM 430 CB ALA A 28 -18.537 -29.572 8.321 1.00 50.00 C ATOM 0 H ALA A 28 -17.804 -27.989 10.121 1.00 16.66 H new ATOM 0 HA ALA A 28 -17.419 -28.019 7.352 1.00 16.66 H new ATOM 0 HB1 ALA A 28 -18.770 -30.084 7.387 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -17.655 -30.026 8.773 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -19.382 -29.661 9.004 1.00 50.00 H new ATOM 436 N ALA A 29 -20.493 -27.177 8.205 1.00 16.66 N ATOM 437 CA ALA A 29 -21.723 -26.544 7.657 1.00 16.66 C ATOM 438 C ALA A 29 -21.362 -25.207 7.012 1.00 16.66 C ATOM 439 O ALA A 29 -21.877 -24.850 5.971 1.00 16.66 O ATOM 440 CB ALA A 29 -22.726 -26.311 8.789 1.00 50.00 C ATOM 0 H ALA A 29 -20.510 -27.366 9.207 1.00 16.66 H new ATOM 0 HA ALA A 29 -22.167 -27.201 6.909 1.00 16.66 H new ATOM 0 HB1 ALA A 29 -23.627 -25.847 8.387 1.00 50.00 H new ATOM 0 HB2 ALA A 29 -22.983 -27.265 9.249 1.00 50.00 H new ATOM 0 HB3 ALA A 29 -22.283 -25.655 9.538 1.00 50.00 H new ATOM 446 N GLU A 30 -20.475 -24.466 7.616 1.00 16.66 N ATOM 447 CA GLU A 30 -20.083 -23.157 7.027 1.00 16.66 C ATOM 448 C GLU A 30 -19.188 -23.398 5.814 1.00 16.66 C ATOM 449 O GLU A 30 -19.460 -22.927 4.727 1.00 16.66 O ATOM 450 CB GLU A 30 -19.328 -22.325 8.068 1.00 16.66 C ATOM 451 CG GLU A 30 -20.271 -21.965 9.220 1.00 16.66 C ATOM 452 CD GLU A 30 -19.537 -21.070 10.224 1.00 16.66 C ATOM 453 OE1 GLU A 30 -18.515 -21.487 10.716 1.00 16.66 O ATOM 454 OE2 GLU A 30 -20.011 -19.985 10.486 1.00 16.66 O ATOM 0 H GLU A 30 -20.007 -24.710 8.489 1.00 16.66 H new ATOM 0 HA GLU A 30 -20.977 -22.615 6.719 1.00 16.66 H new ATOM 0 HB2 GLU A 30 -18.473 -22.886 8.446 1.00 16.66 H new ATOM 0 HB3 GLU A 30 -18.936 -21.418 7.608 1.00 16.66 H new ATOM 0 HG2 GLU A 30 -21.152 -21.451 8.835 1.00 16.66 H new ATOM 0 HG3 GLU A 30 -20.621 -22.872 9.714 1.00 16.66 H new ATOM 461 N LEU A 31 -18.124 -24.128 5.985 1.00 16.66 N ATOM 462 CA LEU A 31 -17.219 -24.397 4.835 1.00 16.66 C ATOM 463 C LEU A 31 -17.993 -25.163 3.764 1.00 16.66 C ATOM 464 O LEU A 31 -17.904 -24.871 2.588 1.00 16.66 O ATOM 465 CB LEU A 31 -16.027 -25.233 5.304 1.00 16.66 C ATOM 466 CG LEU A 31 -15.186 -25.649 4.094 1.00 16.66 C ATOM 467 CD1 LEU A 31 -14.488 -24.419 3.512 1.00 16.66 C ATOM 468 CD2 LEU A 31 -14.136 -26.673 4.531 1.00 16.66 C ATOM 0 H LEU A 31 -17.842 -24.550 6.870 1.00 16.66 H new ATOM 0 HA LEU A 31 -16.855 -23.455 4.424 1.00 16.66 H new ATOM 0 HB2 LEU A 31 -15.419 -24.658 6.002 1.00 16.66 H new ATOM 0 HB3 LEU A 31 -16.377 -26.117 5.838 1.00 16.66 H new ATOM 0 HG LEU A 31 -15.832 -26.092 3.337 1.00 16.66 H new ATOM 0 HD11 LEU A 31 -13.889 -24.714 2.651 1.00 16.66 H new ATOM 0 HD12 LEU A 31 -15.236 -23.689 3.201 1.00 16.66 H new ATOM 0 HD13 LEU A 31 -13.841 -23.976 4.269 1.00 16.66 H new ATOM 0 HD21 LEU A 31 -13.537 -26.970 3.670 1.00 16.66 H new ATOM 0 HD22 LEU A 31 -13.489 -26.230 5.288 1.00 16.66 H new ATOM 0 HD23 LEU A 31 -14.633 -27.549 4.946 1.00 16.66 H new ATOM 480 N GLY A 32 -18.759 -26.137 4.167 1.00 16.66 N ATOM 481 CA GLY A 32 -19.548 -26.919 3.178 1.00 16.66 C ATOM 482 C GLY A 32 -20.538 -25.989 2.482 1.00 16.66 C ATOM 483 O GLY A 32 -20.710 -26.035 1.279 1.00 16.66 O ATOM 0 H GLY A 32 -18.872 -26.425 5.139 1.00 16.66 H new ATOM 0 HA2 GLY A 32 -18.884 -27.378 2.445 1.00 16.66 H new ATOM 0 HA3 GLY A 32 -20.080 -27.729 3.677 1.00 16.66 H new ATOM 487 N GLU A 33 -21.193 -25.143 3.228 1.00 16.66 N ATOM 488 CA GLU A 33 -22.173 -24.209 2.610 1.00 16.66 C ATOM 489 C GLU A 33 -21.481 -23.386 1.529 1.00 16.66 C ATOM 490 O GLU A 33 -22.001 -23.203 0.446 1.00 16.66 O ATOM 491 CB GLU A 33 -22.737 -23.275 3.682 1.00 50.00 C ATOM 492 CG GLU A 33 -24.073 -23.822 4.187 1.00 50.00 C ATOM 493 CD GLU A 33 -24.780 -22.752 5.021 1.00 50.00 C ATOM 494 OE1 GLU A 33 -24.325 -21.620 5.005 1.00 50.00 O ATOM 495 OE2 GLU A 33 -25.764 -23.082 5.661 1.00 50.00 O ATOM 0 H GLU A 33 -21.091 -25.059 4.239 1.00 16.66 H new ATOM 0 HA GLU A 33 -22.987 -24.781 2.164 1.00 16.66 H new ATOM 0 HB2 GLU A 33 -22.033 -23.187 4.509 1.00 50.00 H new ATOM 0 HB3 GLU A 33 -22.874 -22.274 3.272 1.00 50.00 H new ATOM 0 HG2 GLU A 33 -24.700 -24.115 3.345 1.00 50.00 H new ATOM 0 HG3 GLU A 33 -23.908 -24.716 4.788 1.00 50.00 H new ATOM 502 N ALA A 34 -20.307 -22.898 1.804 1.00 16.66 N ATOM 503 CA ALA A 34 -19.584 -22.101 0.779 1.00 16.66 C ATOM 504 C ALA A 34 -19.086 -23.051 -0.305 1.00 16.66 C ATOM 505 O ALA A 34 -19.117 -22.748 -1.481 1.00 16.66 O ATOM 506 CB ALA A 34 -18.394 -21.389 1.427 1.00 50.00 C ATOM 0 H ALA A 34 -19.818 -23.016 2.691 1.00 16.66 H new ATOM 0 HA ALA A 34 -20.249 -21.354 0.346 1.00 16.66 H new ATOM 0 HB1 ALA A 34 -17.865 -20.805 0.674 1.00 50.00 H new ATOM 0 HB2 ALA A 34 -18.752 -20.726 2.215 1.00 50.00 H new ATOM 0 HB3 ALA A 34 -17.717 -22.128 1.855 1.00 50.00 H new ATOM 512 N LEU A 35 -18.626 -24.206 0.090 1.00 99.99 N ATOM 513 CA LEU A 35 -18.124 -25.191 -0.904 1.00 99.99 C ATOM 514 C LEU A 35 -19.246 -25.551 -1.878 1.00 99.99 C ATOM 515 O LEU A 35 -19.006 -25.824 -3.038 1.00 99.99 O ATOM 516 CB LEU A 35 -17.654 -26.451 -0.176 1.00 99.99 C ATOM 517 CG LEU A 35 -16.160 -26.332 0.135 1.00 99.99 C ATOM 518 CD1 LEU A 35 -15.791 -27.320 1.243 1.00 99.99 C ATOM 519 CD2 LEU A 35 -15.351 -26.653 -1.124 1.00 99.99 C ATOM 0 H LEU A 35 -18.577 -24.509 1.063 1.00 99.99 H new ATOM 0 HA LEU A 35 -17.291 -24.758 -1.457 1.00 99.99 H new ATOM 0 HB2 LEU A 35 -18.219 -26.583 0.747 1.00 99.99 H new ATOM 0 HB3 LEU A 35 -17.839 -27.331 -0.792 1.00 99.99 H new ATOM 0 HG LEU A 35 -15.936 -25.317 0.463 1.00 99.99 H new ATOM 0 HD11 LEU A 35 -14.727 -27.236 1.466 1.00 99.99 H new ATOM 0 HD12 LEU A 35 -16.368 -27.094 2.139 1.00 99.99 H new ATOM 0 HD13 LEU A 35 -16.014 -28.335 0.915 1.00 99.99 H new ATOM 0 HD21 LEU A 35 -14.287 -26.569 -0.904 1.00 99.99 H new ATOM 0 HD22 LEU A 35 -15.575 -27.668 -1.451 1.00 99.99 H new ATOM 0 HD23 LEU A 35 -15.615 -25.951 -1.915 1.00 99.99 H new ATOM 531 N LYS A 36 -20.469 -25.558 -1.423 1.00 99.99 N ATOM 532 CA LYS A 36 -21.596 -25.905 -2.334 1.00 99.99 C ATOM 533 C LYS A 36 -21.444 -25.140 -3.650 1.00 99.99 C ATOM 534 O LYS A 36 -21.943 -25.551 -4.679 1.00 99.99 O ATOM 535 CB LYS A 36 -22.923 -25.524 -1.673 1.00 99.99 C ATOM 536 CG LYS A 36 -23.778 -26.779 -1.486 1.00 99.99 C ATOM 537 CD LYS A 36 -25.065 -26.414 -0.742 1.00 99.99 C ATOM 538 CE LYS A 36 -25.088 -27.123 0.614 1.00 99.99 C ATOM 539 NZ LYS A 36 -26.320 -27.955 0.720 1.00 99.99 N ATOM 0 H LYS A 36 -20.736 -25.339 -0.463 1.00 99.99 H new ATOM 0 HA LYS A 36 -21.584 -26.976 -2.534 1.00 99.99 H new ATOM 0 HB2 LYS A 36 -22.739 -25.050 -0.709 1.00 99.99 H new ATOM 0 HB3 LYS A 36 -23.453 -24.798 -2.289 1.00 99.99 H new ATOM 0 HG2 LYS A 36 -24.017 -27.217 -2.455 1.00 99.99 H new ATOM 0 HG3 LYS A 36 -23.222 -27.531 -0.925 1.00 99.99 H new ATOM 0 HD2 LYS A 36 -25.123 -25.335 -0.601 1.00 99.99 H new ATOM 0 HD3 LYS A 36 -25.934 -26.706 -1.332 1.00 99.99 H new ATOM 0 HE2 LYS A 36 -24.203 -27.750 0.724 1.00 99.99 H new ATOM 0 HE3 LYS A 36 -25.061 -26.390 1.420 1.00 99.99 H new ATOM 0 HZ1 LYS A 36 -26.335 -28.437 1.642 1.00 99.99 H new ATOM 0 HZ2 LYS A 36 -27.159 -27.346 0.634 1.00 99.99 H new ATOM 0 HZ3 LYS A 36 -26.327 -28.664 -0.041 1.00 99.99 H new ATOM 553 N THR A 37 -20.758 -24.030 -3.628 1.00 99.99 N ATOM 554 CA THR A 37 -20.577 -23.243 -4.878 1.00 99.99 C ATOM 555 C THR A 37 -20.021 -24.157 -5.970 1.00 99.99 C ATOM 556 O THR A 37 -20.182 -23.904 -7.147 1.00 99.99 O ATOM 557 CB THR A 37 -19.596 -22.096 -4.621 1.00 99.99 C ATOM 558 OG1 THR A 37 -19.639 -21.184 -5.710 1.00 99.99 O ATOM 559 CG2 THR A 37 -18.179 -22.654 -4.475 1.00 99.99 C ATOM 0 H THR A 37 -20.316 -23.635 -2.798 1.00 99.99 H new ATOM 0 HA THR A 37 -21.535 -22.833 -5.197 1.00 99.99 H new ATOM 0 HB THR A 37 -19.875 -21.579 -3.703 1.00 99.99 H new ATOM 0 HG1 THR A 37 -19.511 -20.271 -5.377 1.00 99.99 H new ATOM 0 HG21 THR A 37 -17.483 -21.836 -4.292 1.00 99.99 H new ATOM 0 HG22 THR A 37 -18.147 -23.351 -3.638 1.00 99.99 H new ATOM 0 HG23 THR A 37 -17.896 -23.173 -5.391 1.00 99.99 H new ATOM 567 N LEU A 38 -19.371 -25.220 -5.586 1.00 16.66 N ATOM 568 CA LEU A 38 -18.808 -26.154 -6.600 1.00 16.66 C ATOM 569 C LEU A 38 -19.947 -26.756 -7.421 1.00 16.66 C ATOM 570 O LEU A 38 -19.796 -27.056 -8.589 1.00 16.66 O ATOM 571 CB LEU A 38 -18.040 -27.274 -5.893 1.00 50.00 C ATOM 572 CG LEU A 38 -16.773 -26.701 -5.257 1.00 50.00 C ATOM 573 CD1 LEU A 38 -15.885 -27.847 -4.768 1.00 50.00 C ATOM 574 CD2 LEU A 38 -16.010 -25.873 -6.294 1.00 50.00 C ATOM 0 H LEU A 38 -19.205 -25.482 -4.614 1.00 16.66 H new ATOM 0 HA LEU A 38 -18.131 -25.611 -7.259 1.00 16.66 H new ATOM 0 HB2 LEU A 38 -18.667 -27.734 -5.129 1.00 50.00 H new ATOM 0 HB3 LEU A 38 -17.780 -28.057 -6.605 1.00 50.00 H new ATOM 0 HG LEU A 38 -17.046 -26.066 -4.414 1.00 50.00 H new ATOM 0 HD11 LEU A 38 -14.982 -27.439 -4.315 1.00 50.00 H new ATOM 0 HD12 LEU A 38 -16.427 -28.438 -4.029 1.00 50.00 H new ATOM 0 HD13 LEU A 38 -15.613 -28.482 -5.611 1.00 50.00 H new ATOM 0 HD21 LEU A 38 -15.107 -25.465 -5.840 1.00 50.00 H new ATOM 0 HD22 LEU A 38 -15.738 -26.508 -7.137 1.00 50.00 H new ATOM 0 HD23 LEU A 38 -16.642 -25.056 -6.644 1.00 50.00 H new ATOM 586 N GLY A 39 -21.091 -26.934 -6.819 1.00 16.66 N ATOM 587 CA GLY A 39 -22.245 -27.515 -7.562 1.00 16.66 C ATOM 588 C GLY A 39 -21.961 -28.985 -7.882 1.00 16.66 C ATOM 589 O GLY A 39 -22.710 -29.630 -8.589 1.00 16.66 O ATOM 0 H GLY A 39 -21.277 -26.702 -5.843 1.00 16.66 H new ATOM 0 HA2 GLY A 39 -23.154 -27.431 -6.966 1.00 16.66 H new ATOM 0 HA3 GLY A 39 -22.415 -26.958 -8.483 1.00 16.66 H new ATOM 593 N SER A 40 -20.885 -29.520 -7.372 1.00 16.66 N ATOM 594 CA SER A 40 -20.559 -30.945 -7.653 1.00 16.66 C ATOM 595 C SER A 40 -19.681 -31.500 -6.529 1.00 16.66 C ATOM 596 O SER A 40 -18.606 -32.013 -6.767 1.00 16.66 O ATOM 597 CB SER A 40 -19.805 -31.039 -8.980 1.00 16.66 C ATOM 598 OG SER A 40 -20.682 -31.512 -9.992 1.00 16.66 O ATOM 0 H SER A 40 -20.219 -29.031 -6.774 1.00 16.66 H new ATOM 0 HA SER A 40 -21.480 -31.524 -7.713 1.00 16.66 H new ATOM 0 HB2 SER A 40 -19.409 -30.061 -9.255 1.00 16.66 H new ATOM 0 HB3 SER A 40 -18.953 -31.711 -8.879 1.00 16.66 H new ATOM 0 HG SER A 40 -21.567 -31.107 -9.874 1.00 16.66 H new ATOM 604 N ILE A 41 -20.130 -31.404 -5.308 1.00 16.66 N ATOM 605 CA ILE A 41 -19.316 -31.928 -4.177 1.00 16.66 C ATOM 606 C ILE A 41 -20.235 -32.607 -3.156 1.00 16.66 C ATOM 607 O ILE A 41 -21.444 -32.525 -3.241 1.00 16.66 O ATOM 608 CB ILE A 41 -18.555 -30.770 -3.511 1.00 16.66 C ATOM 609 CG1 ILE A 41 -17.345 -31.323 -2.756 1.00 16.66 C ATOM 610 CG2 ILE A 41 -19.470 -30.032 -2.529 1.00 50.00 C ATOM 611 CD1 ILE A 41 -16.384 -30.179 -2.428 1.00 16.66 C ATOM 0 H ILE A 41 -21.023 -30.986 -5.046 1.00 16.66 H new ATOM 0 HA ILE A 41 -18.598 -32.658 -4.551 1.00 16.66 H new ATOM 0 HB ILE A 41 -18.224 -30.074 -4.282 1.00 16.66 H new ATOM 0 HG12 ILE A 41 -17.669 -31.815 -1.839 1.00 16.66 H new ATOM 0 HG13 ILE A 41 -16.839 -32.076 -3.360 1.00 16.66 H new ATOM 0 HG21 ILE A 41 -18.920 -29.214 -2.064 1.00 50.00 H new ATOM 0 HG22 ILE A 41 -20.331 -29.632 -3.064 1.00 50.00 H new ATOM 0 HG23 ILE A 41 -19.811 -30.724 -1.759 1.00 50.00 H new ATOM 0 HD11 ILE A 41 -15.521 -30.572 -1.890 1.00 16.66 H new ATOM 0 HD12 ILE A 41 -16.051 -29.707 -3.352 1.00 16.66 H new ATOM 0 HD13 ILE A 41 -16.894 -29.442 -1.808 1.00 16.66 H new ATOM 623 N THR A 42 -19.666 -33.271 -2.190 1.00 16.66 N ATOM 624 CA THR A 42 -20.496 -33.951 -1.159 1.00 16.66 C ATOM 625 C THR A 42 -20.053 -33.472 0.220 1.00 16.66 C ATOM 626 O THR A 42 -18.992 -32.900 0.373 1.00 16.66 O ATOM 627 CB THR A 42 -20.312 -35.477 -1.247 1.00 16.66 C ATOM 628 OG1 THR A 42 -19.506 -35.922 -0.163 1.00 16.66 O ATOM 629 CG2 THR A 42 -19.634 -35.852 -2.566 1.00 16.66 C ATOM 0 H THR A 42 -18.658 -33.372 -2.070 1.00 16.66 H new ATOM 0 HA THR A 42 -21.546 -33.712 -1.326 1.00 16.66 H new ATOM 0 HB THR A 42 -21.291 -35.953 -1.200 1.00 16.66 H new ATOM 0 HG1 THR A 42 -19.258 -36.860 -0.303 1.00 16.66 H new ATOM 0 HG21 THR A 42 -19.509 -36.934 -2.616 1.00 16.66 H new ATOM 0 HG22 THR A 42 -20.251 -35.519 -3.400 1.00 16.66 H new ATOM 0 HG23 THR A 42 -18.657 -35.371 -2.623 1.00 16.66 H new ATOM 637 N PRO A 43 -20.869 -33.732 1.245 1.00 16.66 N ATOM 638 CA PRO A 43 -20.541 -33.344 2.615 1.00 16.66 C ATOM 639 C PRO A 43 -19.368 -34.173 3.132 1.00 16.66 C ATOM 640 O PRO A 43 -18.557 -33.713 3.909 1.00 16.66 O ATOM 641 CB PRO A 43 -21.814 -33.673 3.397 1.00 50.00 C ATOM 642 CG PRO A 43 -22.482 -34.734 2.591 1.00 50.00 C ATOM 643 CD PRO A 43 -22.167 -34.422 1.155 1.00 50.00 C ATOM 0 HA PRO A 43 -20.247 -32.298 2.705 1.00 16.66 H new ATOM 0 HB2 PRO A 43 -21.583 -34.025 4.402 1.00 50.00 H new ATOM 0 HB3 PRO A 43 -22.452 -32.796 3.505 1.00 50.00 H new ATOM 0 HG2 PRO A 43 -22.114 -35.723 2.865 1.00 50.00 H new ATOM 0 HG3 PRO A 43 -23.558 -34.735 2.763 1.00 50.00 H new ATOM 0 HD2 PRO A 43 -22.103 -35.326 0.550 1.00 50.00 H new ATOM 0 HD3 PRO A 43 -22.930 -33.789 0.702 1.00 50.00 H new ATOM 651 N ASP A 44 -19.286 -35.403 2.703 1.00 16.66 N ATOM 652 CA ASP A 44 -18.179 -36.285 3.162 1.00 16.66 C ATOM 653 C ASP A 44 -16.836 -35.747 2.665 1.00 16.66 C ATOM 654 O ASP A 44 -15.807 -35.996 3.260 1.00 16.66 O ATOM 655 CB ASP A 44 -18.395 -37.697 2.615 1.00 50.00 C ATOM 656 CG ASP A 44 -19.693 -38.273 3.184 1.00 50.00 C ATOM 657 OD1 ASP A 44 -20.150 -37.765 4.196 1.00 50.00 O ATOM 658 OD2 ASP A 44 -20.208 -39.213 2.600 1.00 50.00 O ATOM 0 H ASP A 44 -19.941 -35.835 2.052 1.00 16.66 H new ATOM 0 HA ASP A 44 -18.171 -36.308 4.252 1.00 16.66 H new ATOM 0 HB2 ASP A 44 -18.442 -37.673 1.526 1.00 50.00 H new ATOM 0 HB3 ASP A 44 -17.553 -38.335 2.884 1.00 50.00 H new ATOM 663 N GLU A 45 -16.826 -35.007 1.589 1.00 16.66 N ATOM 664 CA GLU A 45 -15.536 -34.463 1.086 1.00 16.66 C ATOM 665 C GLU A 45 -15.211 -33.197 1.870 1.00 16.66 C ATOM 666 O GLU A 45 -14.077 -32.939 2.220 1.00 16.66 O ATOM 667 CB GLU A 45 -15.663 -34.130 -0.402 1.00 16.66 C ATOM 668 CG GLU A 45 -15.990 -35.405 -1.182 1.00 16.66 C ATOM 669 CD GLU A 45 -15.991 -35.099 -2.682 1.00 16.66 C ATOM 670 OE1 GLU A 45 -15.863 -33.937 -3.030 1.00 16.66 O ATOM 671 OE2 GLU A 45 -16.120 -36.033 -3.457 1.00 16.66 O ATOM 0 H GLU A 45 -17.650 -34.758 1.041 1.00 16.66 H new ATOM 0 HA GLU A 45 -14.742 -35.198 1.215 1.00 16.66 H new ATOM 0 HB2 GLU A 45 -16.446 -33.387 -0.554 1.00 16.66 H new ATOM 0 HB3 GLU A 45 -14.734 -33.694 -0.769 1.00 16.66 H new ATOM 0 HG2 GLU A 45 -15.256 -36.179 -0.958 1.00 16.66 H new ATOM 0 HG3 GLU A 45 -16.963 -35.791 -0.878 1.00 16.66 H new ATOM 678 N VAL A 46 -16.210 -32.414 2.159 1.00 16.66 N ATOM 679 CA VAL A 46 -15.977 -31.167 2.936 1.00 16.66 C ATOM 680 C VAL A 46 -15.515 -31.542 4.343 1.00 16.66 C ATOM 681 O VAL A 46 -14.684 -30.883 4.934 1.00 16.66 O ATOM 682 CB VAL A 46 -17.280 -30.371 3.018 1.00 50.00 C ATOM 683 CG1 VAL A 46 -17.144 -29.269 4.072 1.00 50.00 C ATOM 684 CG2 VAL A 46 -17.571 -29.741 1.656 1.00 50.00 C ATOM 0 H VAL A 46 -17.179 -32.584 1.890 1.00 16.66 H new ATOM 0 HA VAL A 46 -15.215 -30.559 2.448 1.00 16.66 H new ATOM 0 HB VAL A 46 -18.097 -31.036 3.297 1.00 50.00 H new ATOM 0 HG11 VAL A 46 -18.074 -28.703 4.129 1.00 50.00 H new ATOM 0 HG12 VAL A 46 -16.933 -29.718 5.043 1.00 50.00 H new ATOM 0 HG13 VAL A 46 -16.329 -28.600 3.796 1.00 50.00 H new ATOM 0 HG21 VAL A 46 -18.499 -29.172 1.709 1.00 50.00 H new ATOM 0 HG22 VAL A 46 -16.753 -29.075 1.381 1.00 50.00 H new ATOM 0 HG23 VAL A 46 -17.669 -30.526 0.906 1.00 50.00 H new ATOM 694 N LYS A 47 -16.046 -32.607 4.876 1.00 16.66 N ATOM 695 CA LYS A 47 -15.638 -33.041 6.241 1.00 16.66 C ATOM 696 C LYS A 47 -14.174 -33.476 6.207 1.00 16.66 C ATOM 697 O LYS A 47 -13.413 -33.208 7.116 1.00 16.66 O ATOM 698 CB LYS A 47 -16.511 -34.215 6.690 1.00 16.66 C ATOM 699 CG LYS A 47 -17.937 -33.722 6.949 1.00 16.66 C ATOM 700 CD LYS A 47 -18.803 -34.891 7.423 1.00 16.66 C ATOM 701 CE LYS A 47 -20.258 -34.431 7.543 1.00 50.00 C ATOM 702 NZ LYS A 47 -21.167 -35.574 7.246 1.00 50.00 N ATOM 0 H LYS A 47 -16.746 -33.196 4.425 1.00 16.66 H new ATOM 0 HA LYS A 47 -15.762 -32.215 6.942 1.00 16.66 H new ATOM 0 HB2 LYS A 47 -16.517 -34.991 5.925 1.00 16.66 H new ATOM 0 HB3 LYS A 47 -16.100 -34.663 7.595 1.00 16.66 H new ATOM 0 HG2 LYS A 47 -17.929 -32.933 7.701 1.00 16.66 H new ATOM 0 HG3 LYS A 47 -18.355 -33.291 6.039 1.00 16.66 H new ATOM 0 HD2 LYS A 47 -18.729 -35.721 6.720 1.00 16.66 H new ATOM 0 HD3 LYS A 47 -18.445 -35.256 8.386 1.00 16.66 H new ATOM 0 HE2 LYS A 47 -20.449 -34.052 8.547 1.00 50.00 H new ATOM 0 HE3 LYS A 47 -20.450 -33.611 6.851 1.00 50.00 H new ATOM 0 HZ1 LYS A 47 -22.156 -35.262 7.327 1.00 50.00 H new ATOM 0 HZ2 LYS A 47 -20.990 -35.916 6.280 1.00 50.00 H new ATOM 0 HZ3 LYS A 47 -20.990 -36.343 7.923 1.00 50.00 H new ATOM 716 N HIS A 48 -13.774 -34.141 5.160 1.00 16.66 N ATOM 717 CA HIS A 48 -12.359 -34.591 5.057 1.00 16.66 C ATOM 718 C HIS A 48 -11.453 -33.368 4.923 1.00 16.66 C ATOM 719 O HIS A 48 -10.395 -33.297 5.520 1.00 16.66 O ATOM 720 CB HIS A 48 -12.195 -35.484 3.827 1.00 16.66 C ATOM 721 CG HIS A 48 -10.746 -35.853 3.665 1.00 16.66 C ATOM 722 ND1 HIS A 48 -10.327 -37.168 3.539 1.00 16.66 N ATOM 723 CD2 HIS A 48 -9.606 -35.088 3.608 1.00 16.66 C ATOM 724 CE1 HIS A 48 -8.987 -37.156 3.414 1.00 50.00 C ATOM 725 NE2 HIS A 48 -8.496 -35.914 3.449 1.00 50.00 N ATOM 0 H HIS A 48 -14.367 -34.393 4.370 1.00 16.66 H new ATOM 0 HA HIS A 48 -12.087 -35.154 5.950 1.00 16.66 H new ATOM 0 HB2 HIS A 48 -12.801 -36.384 3.934 1.00 16.66 H new ATOM 0 HB3 HIS A 48 -12.551 -34.965 2.937 1.00 16.66 H new ATOM 0 HD2 HIS A 48 -9.575 -34.011 3.676 1.00 16.66 H new ATOM 0 HE1 HIS A 48 -8.382 -38.043 3.299 1.00 50.00 H new ATOM 0 HE2 HIS A 48 -7.519 -35.632 3.375 1.00 50.00 H new ATOM 733 N MET A 49 -11.859 -32.400 4.148 1.00 16.66 N ATOM 734 CA MET A 49 -11.025 -31.183 3.984 1.00 16.66 C ATOM 735 C MET A 49 -10.842 -30.521 5.347 1.00 16.66 C ATOM 736 O MET A 49 -9.757 -30.119 5.717 1.00 16.66 O ATOM 737 CB MET A 49 -11.729 -30.216 3.034 1.00 16.66 C ATOM 738 CG MET A 49 -11.466 -30.641 1.587 1.00 16.66 C ATOM 739 SD MET A 49 -11.781 -29.244 0.481 1.00 16.66 S ATOM 740 CE MET A 49 -13.585 -29.254 0.611 1.00 16.66 C ATOM 0 H MET A 49 -12.733 -32.402 3.622 1.00 16.66 H new ATOM 0 HA MET A 49 -10.051 -31.449 3.573 1.00 16.66 H new ATOM 0 HB2 MET A 49 -12.801 -30.209 3.233 1.00 16.66 H new ATOM 0 HB3 MET A 49 -11.368 -29.201 3.198 1.00 16.66 H new ATOM 0 HG2 MET A 49 -10.436 -30.980 1.478 1.00 16.66 H new ATOM 0 HG3 MET A 49 -12.108 -31.481 1.321 1.00 16.66 H new ATOM 0 HE1 MET A 49 -14.010 -28.635 -0.179 1.00 16.66 H new ATOM 0 HE2 MET A 49 -13.951 -30.275 0.509 1.00 16.66 H new ATOM 0 HE3 MET A 49 -13.882 -28.857 1.582 1.00 16.66 H new ATOM 750 N MET A 50 -11.900 -30.409 6.095 1.00 16.66 N ATOM 751 CA MET A 50 -11.800 -29.778 7.439 1.00 16.66 C ATOM 752 C MET A 50 -10.859 -30.603 8.313 1.00 16.66 C ATOM 753 O MET A 50 -9.977 -30.081 8.963 1.00 16.66 O ATOM 754 CB MET A 50 -13.186 -29.731 8.081 1.00 16.66 C ATOM 755 CG MET A 50 -13.844 -28.387 7.765 1.00 16.66 C ATOM 756 SD MET A 50 -15.239 -28.123 8.886 1.00 16.66 S ATOM 757 CE MET A 50 -14.288 -27.465 10.278 1.00 50.00 C ATOM 0 H MET A 50 -12.833 -30.728 5.834 1.00 16.66 H new ATOM 0 HA MET A 50 -11.412 -28.764 7.342 1.00 16.66 H new ATOM 0 HB2 MET A 50 -13.802 -30.548 7.704 1.00 16.66 H new ATOM 0 HB3 MET A 50 -13.104 -29.864 9.160 1.00 16.66 H new ATOM 0 HG2 MET A 50 -13.119 -27.580 7.873 1.00 16.66 H new ATOM 0 HG3 MET A 50 -14.187 -28.372 6.730 1.00 16.66 H new ATOM 0 HE1 MET A 50 -14.894 -26.740 10.822 1.00 50.00 H new ATOM 0 HE2 MET A 50 -14.010 -28.280 10.946 1.00 50.00 H new ATOM 0 HE3 MET A 50 -13.387 -26.978 9.905 1.00 50.00 H new ATOM 767 N ALA A 51 -11.036 -31.892 8.326 1.00 16.66 N ATOM 768 CA ALA A 51 -10.148 -32.758 9.152 1.00 16.66 C ATOM 769 C ALA A 51 -8.704 -32.588 8.679 1.00 16.66 C ATOM 770 O ALA A 51 -7.765 -32.897 9.386 1.00 16.66 O ATOM 771 CB ALA A 51 -10.569 -34.221 8.996 1.00 50.00 C ATOM 0 H ALA A 51 -11.757 -32.386 7.800 1.00 16.66 H new ATOM 0 HA ALA A 51 -10.228 -32.472 10.201 1.00 16.66 H new ATOM 0 HB1 ALA A 51 -9.919 -34.853 9.601 1.00 50.00 H new ATOM 0 HB2 ALA A 51 -11.601 -34.340 9.327 1.00 50.00 H new ATOM 0 HB3 ALA A 51 -10.488 -34.513 7.949 1.00 50.00 H new ATOM 777 N GLU A 52 -8.522 -32.090 7.486 1.00 16.66 N ATOM 778 CA GLU A 52 -7.143 -31.889 6.962 1.00 16.66 C ATOM 779 C GLU A 52 -6.721 -30.443 7.216 1.00 16.66 C ATOM 780 O GLU A 52 -5.579 -30.159 7.516 1.00 16.66 O ATOM 781 CB GLU A 52 -7.118 -32.172 5.459 1.00 16.66 C ATOM 782 CG GLU A 52 -6.957 -33.675 5.224 1.00 16.66 C ATOM 783 CD GLU A 52 -6.462 -33.917 3.797 1.00 16.66 C ATOM 784 OE1 GLU A 52 -6.386 -32.958 3.047 1.00 16.66 O ATOM 785 OE2 GLU A 52 -6.168 -35.057 3.478 1.00 16.66 O ATOM 0 H GLU A 52 -9.271 -31.814 6.851 1.00 16.66 H new ATOM 0 HA GLU A 52 -6.456 -32.569 7.466 1.00 16.66 H new ATOM 0 HB2 GLU A 52 -8.039 -31.818 4.996 1.00 16.66 H new ATOM 0 HB3 GLU A 52 -6.297 -31.630 4.990 1.00 16.66 H new ATOM 0 HG2 GLU A 52 -6.250 -34.093 5.941 1.00 16.66 H new ATOM 0 HG3 GLU A 52 -7.909 -34.183 5.381 1.00 16.66 H new ATOM 792 N ILE A 53 -7.641 -29.528 7.098 1.00 16.66 N ATOM 793 CA ILE A 53 -7.311 -28.099 7.333 1.00 16.66 C ATOM 794 C ILE A 53 -7.319 -27.814 8.836 1.00 16.66 C ATOM 795 O ILE A 53 -6.571 -26.994 9.329 1.00 16.66 O ATOM 796 CB ILE A 53 -8.359 -27.230 6.647 1.00 16.66 C ATOM 797 CG1 ILE A 53 -8.340 -27.508 5.144 1.00 16.66 C ATOM 798 CG2 ILE A 53 -8.046 -25.759 6.908 1.00 16.66 C ATOM 799 CD1 ILE A 53 -9.463 -26.726 4.464 1.00 50.00 C ATOM 0 H ILE A 53 -8.613 -29.711 6.847 1.00 16.66 H new ATOM 0 HA ILE A 53 -6.323 -27.877 6.929 1.00 16.66 H new ATOM 0 HB ILE A 53 -9.348 -27.461 7.043 1.00 16.66 H new ATOM 0 HG12 ILE A 53 -7.377 -27.221 4.723 1.00 16.66 H new ATOM 0 HG13 ILE A 53 -8.463 -28.575 4.960 1.00 16.66 H new ATOM 0 HG21 ILE A 53 -8.794 -25.135 6.418 1.00 16.66 H new ATOM 0 HG22 ILE A 53 -8.061 -25.569 7.981 1.00 16.66 H new ATOM 0 HG23 ILE A 53 -7.059 -25.521 6.511 1.00 16.66 H new ATOM 0 HD11 ILE A 53 -9.448 -26.925 3.392 1.00 50.00 H new ATOM 0 HD12 ILE A 53 -10.423 -27.035 4.877 1.00 50.00 H new ATOM 0 HD13 ILE A 53 -9.320 -25.659 4.637 1.00 50.00 H new ATOM 811 N ASP A 54 -8.158 -28.493 9.566 1.00 16.66 N ATOM 812 CA ASP A 54 -8.228 -28.282 11.036 1.00 16.66 C ATOM 813 C ASP A 54 -6.866 -28.618 11.651 1.00 16.66 C ATOM 814 O ASP A 54 -6.523 -29.768 11.839 1.00 16.66 O ATOM 815 CB ASP A 54 -9.305 -29.210 11.601 1.00 16.66 C ATOM 816 CG ASP A 54 -9.844 -28.652 12.921 1.00 16.66 C ATOM 817 OD1 ASP A 54 -9.357 -27.623 13.351 1.00 16.66 O ATOM 818 OD2 ASP A 54 -10.744 -29.261 13.474 1.00 16.66 O ATOM 0 H ASP A 54 -8.805 -29.193 9.202 1.00 16.66 H new ATOM 0 HA ASP A 54 -8.476 -27.247 11.269 1.00 16.66 H new ATOM 0 HB2 ASP A 54 -10.118 -29.315 10.883 1.00 16.66 H new ATOM 0 HB3 ASP A 54 -8.891 -30.205 11.761 1.00 16.66 H new ATOM 823 N THR A 55 -6.079 -27.619 11.943 1.00 16.66 N ATOM 824 CA THR A 55 -4.726 -27.868 12.523 1.00 16.66 C ATOM 825 C THR A 55 -4.839 -28.465 13.926 1.00 16.66 C ATOM 826 O THR A 55 -4.172 -29.427 14.255 1.00 16.66 O ATOM 827 CB THR A 55 -3.964 -26.545 12.596 1.00 50.00 C ATOM 828 OG1 THR A 55 -4.704 -25.617 13.376 1.00 50.00 O ATOM 829 CG2 THR A 55 -3.771 -25.991 11.185 1.00 50.00 C ATOM 0 H THR A 55 -6.315 -26.636 11.805 1.00 16.66 H new ATOM 0 HA THR A 55 -4.195 -28.576 11.887 1.00 16.66 H new ATOM 0 HB THR A 55 -2.990 -26.709 13.056 1.00 50.00 H new ATOM 0 HG1 THR A 55 -5.662 -25.802 13.283 1.00 50.00 H new ATOM 0 HG21 THR A 55 -3.228 -25.047 11.236 1.00 50.00 H new ATOM 0 HG22 THR A 55 -3.203 -26.705 10.588 1.00 50.00 H new ATOM 0 HG23 THR A 55 -4.744 -25.825 10.723 1.00 50.00 H new ATOM 837 N ASP A 56 -5.667 -27.904 14.757 1.00 16.66 N ATOM 838 CA ASP A 56 -5.806 -28.443 16.141 1.00 16.66 C ATOM 839 C ASP A 56 -6.866 -29.546 16.157 1.00 16.66 C ATOM 840 O ASP A 56 -6.706 -30.568 16.794 1.00 16.66 O ATOM 841 CB ASP A 56 -6.210 -27.314 17.095 1.00 16.66 C ATOM 842 CG ASP A 56 -7.705 -27.024 16.956 1.00 16.66 C ATOM 843 OD1 ASP A 56 -8.097 -26.503 15.924 1.00 16.66 O ATOM 844 OD2 ASP A 56 -8.433 -27.331 17.883 1.00 16.66 O ATOM 0 H ASP A 56 -6.254 -27.098 14.542 1.00 16.66 H new ATOM 0 HA ASP A 56 -4.853 -28.859 16.466 1.00 16.66 H new ATOM 0 HB2 ASP A 56 -5.979 -27.595 18.123 1.00 16.66 H new ATOM 0 HB3 ASP A 56 -5.634 -26.415 16.873 1.00 16.66 H new ATOM 849 N GLY A 57 -7.941 -29.348 15.451 1.00 16.66 N ATOM 850 CA GLY A 57 -9.006 -30.387 15.413 1.00 16.66 C ATOM 851 C GLY A 57 -10.183 -29.975 16.303 1.00 16.66 C ATOM 852 O GLY A 57 -10.890 -30.813 16.827 1.00 16.66 O ATOM 0 H GLY A 57 -8.129 -28.512 14.898 1.00 16.66 H new ATOM 0 HA2 GLY A 57 -9.349 -30.529 14.388 1.00 16.66 H new ATOM 0 HA3 GLY A 57 -8.604 -31.342 15.750 1.00 16.66 H new ATOM 856 N ASP A 58 -10.415 -28.700 16.474 1.00 16.66 N ATOM 857 CA ASP A 58 -11.564 -28.273 17.323 1.00 16.66 C ATOM 858 C ASP A 58 -12.855 -28.375 16.508 1.00 16.66 C ATOM 859 O ASP A 58 -13.936 -28.132 17.007 1.00 16.66 O ATOM 860 CB ASP A 58 -11.369 -26.827 17.792 1.00 50.00 C ATOM 861 CG ASP A 58 -11.520 -25.876 16.606 1.00 50.00 C ATOM 862 OD1 ASP A 58 -10.973 -26.175 15.559 1.00 50.00 O ATOM 863 OD2 ASP A 58 -12.180 -24.863 16.765 1.00 50.00 O ATOM 0 H ASP A 58 -9.865 -27.944 16.067 1.00 16.66 H new ATOM 0 HA ASP A 58 -11.623 -28.921 18.197 1.00 16.66 H new ATOM 0 HB2 ASP A 58 -12.101 -26.582 18.562 1.00 50.00 H new ATOM 0 HB3 ASP A 58 -10.383 -26.710 18.241 1.00 50.00 H new ATOM 868 N GLY A 59 -12.751 -28.740 15.257 1.00 16.66 N ATOM 869 CA GLY A 59 -13.973 -28.865 14.415 1.00 16.66 C ATOM 870 C GLY A 59 -14.134 -27.615 13.547 1.00 16.66 C ATOM 871 O GLY A 59 -15.035 -27.530 12.736 1.00 16.66 O ATOM 0 H GLY A 59 -11.873 -28.956 14.784 1.00 16.66 H new ATOM 0 HA2 GLY A 59 -13.902 -29.751 13.784 1.00 16.66 H new ATOM 0 HA3 GLY A 59 -14.851 -28.995 15.048 1.00 16.66 H new ATOM 875 N PHE A 60 -13.282 -26.639 13.713 1.00 16.66 N ATOM 876 CA PHE A 60 -13.417 -25.402 12.894 1.00 16.66 C ATOM 877 C PHE A 60 -12.058 -24.937 12.361 1.00 16.66 C ATOM 878 O PHE A 60 -11.000 -25.221 12.919 1.00 16.66 O ATOM 879 CB PHE A 60 -14.018 -24.286 13.747 1.00 50.00 C ATOM 880 CG PHE A 60 -15.240 -24.799 14.463 1.00 50.00 C ATOM 881 CD1 PHE A 60 -16.491 -24.731 13.841 1.00 50.00 C ATOM 882 CD2 PHE A 60 -15.124 -25.343 15.746 1.00 50.00 C ATOM 883 CE1 PHE A 60 -17.628 -25.205 14.503 1.00 50.00 C ATOM 884 CE2 PHE A 60 -16.260 -25.818 16.409 1.00 50.00 C ATOM 885 CZ PHE A 60 -17.513 -25.750 15.788 1.00 50.00 C ATOM 0 H PHE A 60 -12.505 -26.645 14.374 1.00 16.66 H new ATOM 0 HA PHE A 60 -14.067 -25.628 12.049 1.00 16.66 H new ATOM 0 HB2 PHE A 60 -13.283 -23.931 14.470 1.00 50.00 H new ATOM 0 HB3 PHE A 60 -14.283 -23.436 13.118 1.00 50.00 H new ATOM 0 HD1 PHE A 60 -16.579 -24.312 12.849 1.00 50.00 H new ATOM 0 HD2 PHE A 60 -14.157 -25.396 16.225 1.00 50.00 H new ATOM 0 HE1 PHE A 60 -18.594 -25.151 14.024 1.00 50.00 H new ATOM 0 HE2 PHE A 60 -16.171 -26.237 17.400 1.00 50.00 H new ATOM 0 HZ PHE A 60 -18.390 -26.118 16.300 1.00 50.00 H new ATOM 895 N ILE A 61 -12.089 -24.198 11.283 1.00 16.66 N ATOM 896 CA ILE A 61 -10.840 -23.670 10.688 1.00 16.66 C ATOM 897 C ILE A 61 -10.788 -22.160 10.931 1.00 16.66 C ATOM 898 O ILE A 61 -11.739 -21.450 10.674 1.00 16.66 O ATOM 899 CB ILE A 61 -10.842 -23.940 9.183 1.00 16.66 C ATOM 900 CG1 ILE A 61 -11.210 -25.404 8.925 1.00 16.66 C ATOM 901 CG2 ILE A 61 -9.451 -23.653 8.611 1.00 16.66 C ATOM 902 CD1 ILE A 61 -10.206 -26.317 9.634 1.00 16.66 C ATOM 0 H ILE A 61 -12.942 -23.938 10.788 1.00 16.66 H new ATOM 0 HA ILE A 61 -9.974 -24.154 11.140 1.00 16.66 H new ATOM 0 HB ILE A 61 -11.574 -23.293 8.700 1.00 16.66 H new ATOM 0 HG12 ILE A 61 -12.219 -25.605 9.286 1.00 16.66 H new ATOM 0 HG13 ILE A 61 -11.209 -25.607 7.854 1.00 16.66 H new ATOM 0 HG21 ILE A 61 -9.452 -23.845 7.538 1.00 16.66 H new ATOM 0 HG22 ILE A 61 -9.191 -22.610 8.792 1.00 16.66 H new ATOM 0 HG23 ILE A 61 -8.718 -24.299 9.095 1.00 16.66 H new ATOM 0 HD11 ILE A 61 -10.469 -27.359 9.450 1.00 16.66 H new ATOM 0 HD12 ILE A 61 -9.204 -26.122 9.252 1.00 16.66 H new ATOM 0 HD13 ILE A 61 -10.230 -26.121 10.706 1.00 16.66 H new ATOM 914 N SER A 62 -9.690 -21.659 11.419 1.00 16.66 N ATOM 915 CA SER A 62 -9.585 -20.199 11.670 1.00 16.66 C ATOM 916 C SER A 62 -8.826 -19.555 10.513 1.00 16.66 C ATOM 917 O SER A 62 -8.232 -20.233 9.698 1.00 16.66 O ATOM 918 CB SER A 62 -8.829 -19.955 12.978 1.00 16.66 C ATOM 919 OG SER A 62 -9.403 -20.744 14.011 1.00 16.66 O ATOM 0 H SER A 62 -8.859 -22.200 11.655 1.00 16.66 H new ATOM 0 HA SER A 62 -10.581 -19.764 11.748 1.00 16.66 H new ATOM 0 HB2 SER A 62 -7.776 -20.208 12.855 1.00 16.66 H new ATOM 0 HB3 SER A 62 -8.874 -18.899 13.245 1.00 16.66 H new ATOM 0 HG SER A 62 -8.918 -20.589 14.848 1.00 16.66 H new ATOM 925 N PHE A 63 -8.837 -18.257 10.429 1.00 16.66 N ATOM 926 CA PHE A 63 -8.109 -17.596 9.317 1.00 16.66 C ATOM 927 C PHE A 63 -6.661 -18.070 9.332 1.00 16.66 C ATOM 928 O PHE A 63 -6.083 -18.384 8.310 1.00 16.66 O ATOM 929 CB PHE A 63 -8.148 -16.080 9.489 1.00 16.66 C ATOM 930 CG PHE A 63 -7.429 -15.452 8.324 1.00 16.66 C ATOM 931 CD1 PHE A 63 -7.827 -15.758 7.019 1.00 16.66 C ATOM 932 CD2 PHE A 63 -6.360 -14.578 8.545 1.00 16.66 C ATOM 933 CE1 PHE A 63 -7.160 -15.187 5.933 1.00 16.66 C ATOM 934 CE2 PHE A 63 -5.690 -14.007 7.459 1.00 16.66 C ATOM 935 CZ PHE A 63 -6.091 -14.312 6.151 1.00 16.66 C ATOM 0 H PHE A 63 -9.314 -17.630 11.077 1.00 16.66 H new ATOM 0 HA PHE A 63 -8.581 -17.854 8.369 1.00 16.66 H new ATOM 0 HB2 PHE A 63 -9.179 -15.729 9.532 1.00 16.66 H new ATOM 0 HB3 PHE A 63 -7.674 -15.792 10.427 1.00 16.66 H new ATOM 0 HD1 PHE A 63 -8.651 -16.436 6.851 1.00 16.66 H new ATOM 0 HD2 PHE A 63 -6.052 -14.344 9.554 1.00 16.66 H new ATOM 0 HE1 PHE A 63 -7.470 -15.421 4.925 1.00 16.66 H new ATOM 0 HE2 PHE A 63 -4.864 -13.332 7.628 1.00 16.66 H new ATOM 0 HZ PHE A 63 -5.574 -13.871 5.311 1.00 16.66 H new ATOM 945 N GLN A 64 -6.074 -18.128 10.492 1.00 16.66 N ATOM 946 CA GLN A 64 -4.667 -18.587 10.595 1.00 16.66 C ATOM 947 C GLN A 64 -4.564 -20.014 10.050 1.00 16.66 C ATOM 948 O GLN A 64 -3.722 -20.315 9.227 1.00 16.66 O ATOM 949 CB GLN A 64 -4.245 -18.566 12.064 1.00 16.66 C ATOM 950 CG GLN A 64 -2.742 -18.830 12.171 1.00 16.66 C ATOM 951 CD GLN A 64 -1.974 -17.670 11.533 1.00 50.00 C ATOM 952 OE1 GLN A 64 -2.133 -16.531 11.929 1.00 50.00 O ATOM 953 NE2 GLN A 64 -1.142 -17.911 10.559 1.00 50.00 N ATOM 0 H GLN A 64 -6.512 -17.875 11.378 1.00 16.66 H new ATOM 0 HA GLN A 64 -4.015 -17.931 10.018 1.00 16.66 H new ATOM 0 HB2 GLN A 64 -4.487 -17.601 12.508 1.00 16.66 H new ATOM 0 HB3 GLN A 64 -4.798 -19.322 12.622 1.00 16.66 H new ATOM 0 HG2 GLN A 64 -2.455 -18.939 13.217 1.00 16.66 H new ATOM 0 HG3 GLN A 64 -2.490 -19.766 11.672 1.00 16.66 H new ATOM 0 HE21 GLN A 64 -1.009 -18.866 10.227 1.00 50.00 H new ATOM 0 HE22 GLN A 64 -0.624 -17.144 10.129 1.00 50.00 H new ATOM 962 N GLU A 65 -5.421 -20.894 10.497 1.00 16.66 N ATOM 963 CA GLU A 65 -5.380 -22.295 10.000 1.00 16.66 C ATOM 964 C GLU A 65 -5.569 -22.290 8.485 1.00 16.66 C ATOM 965 O GLU A 65 -4.841 -22.932 7.753 1.00 16.66 O ATOM 966 CB GLU A 65 -6.509 -23.094 10.653 1.00 16.66 C ATOM 967 CG GLU A 65 -6.149 -23.407 12.109 1.00 16.66 C ATOM 968 CD GLU A 65 -7.268 -24.239 12.748 1.00 16.66 C ATOM 969 OE1 GLU A 65 -8.409 -24.027 12.406 1.00 16.66 O ATOM 970 OE2 GLU A 65 -6.964 -25.074 13.570 1.00 16.66 O ATOM 0 H GLU A 65 -6.148 -20.700 11.186 1.00 16.66 H new ATOM 0 HA GLU A 65 -4.422 -22.751 10.249 1.00 16.66 H new ATOM 0 HB2 GLU A 65 -7.439 -22.527 10.613 1.00 16.66 H new ATOM 0 HB3 GLU A 65 -6.677 -24.020 10.103 1.00 16.66 H new ATOM 0 HG2 GLU A 65 -5.206 -23.953 12.152 1.00 16.66 H new ATOM 0 HG3 GLU A 65 -6.007 -22.481 12.666 1.00 16.66 H new ATOM 977 N PHE A 66 -6.543 -21.565 8.009 1.00 16.66 N ATOM 978 CA PHE A 66 -6.784 -21.507 6.542 1.00 16.66 C ATOM 979 C PHE A 66 -5.568 -20.885 5.856 1.00 16.66 C ATOM 980 O PHE A 66 -5.221 -21.232 4.745 1.00 16.66 O ATOM 981 CB PHE A 66 -8.022 -20.653 6.263 1.00 16.66 C ATOM 982 CG PHE A 66 -8.253 -20.568 4.773 1.00 16.66 C ATOM 983 CD1 PHE A 66 -7.633 -19.560 4.025 1.00 16.66 C ATOM 984 CD2 PHE A 66 -9.086 -21.498 4.140 1.00 16.66 C ATOM 985 CE1 PHE A 66 -7.849 -19.480 2.644 1.00 16.66 C ATOM 986 CE2 PHE A 66 -9.302 -21.418 2.758 1.00 16.66 C ATOM 987 CZ PHE A 66 -8.683 -20.409 2.011 1.00 16.66 C ATOM 0 H PHE A 66 -7.184 -21.009 8.575 1.00 16.66 H new ATOM 0 HA PHE A 66 -6.945 -22.514 6.156 1.00 16.66 H new ATOM 0 HB2 PHE A 66 -8.894 -21.087 6.752 1.00 16.66 H new ATOM 0 HB3 PHE A 66 -7.888 -19.654 6.678 1.00 16.66 H new ATOM 0 HD1 PHE A 66 -6.988 -18.844 4.513 1.00 16.66 H new ATOM 0 HD2 PHE A 66 -9.562 -22.277 4.717 1.00 16.66 H new ATOM 0 HE1 PHE A 66 -7.372 -18.701 2.067 1.00 16.66 H new ATOM 0 HE2 PHE A 66 -9.946 -22.134 2.269 1.00 16.66 H new ATOM 0 HZ PHE A 66 -8.849 -20.347 0.946 1.00 16.66 H new ATOM 997 N THR A 67 -4.916 -19.968 6.515 1.00 16.66 N ATOM 998 CA THR A 67 -3.719 -19.323 5.907 1.00 16.66 C ATOM 999 C THR A 67 -2.601 -20.360 5.781 1.00 16.66 C ATOM 1000 O THR A 67 -1.998 -20.514 4.738 1.00 16.66 O ATOM 1001 CB THR A 67 -3.253 -18.170 6.800 1.00 50.00 C ATOM 1002 OG1 THR A 67 -4.274 -17.185 6.867 1.00 50.00 O ATOM 1003 CG2 THR A 67 -1.982 -17.550 6.216 1.00 50.00 C ATOM 0 H THR A 67 -5.160 -19.637 7.448 1.00 16.66 H new ATOM 0 HA THR A 67 -3.970 -18.935 4.920 1.00 16.66 H new ATOM 0 HB THR A 67 -3.043 -18.547 7.801 1.00 50.00 H new ATOM 0 HG1 THR A 67 -4.909 -17.419 7.576 1.00 50.00 H new ATOM 0 HG21 THR A 67 -1.652 -16.729 6.853 1.00 50.00 H new ATOM 0 HG22 THR A 67 -1.199 -18.307 6.164 1.00 50.00 H new ATOM 0 HG23 THR A 67 -2.189 -17.172 5.215 1.00 50.00 H new ATOM 1011 N ASP A 68 -2.325 -21.077 6.837 1.00 25.00 N ATOM 1012 CA ASP A 68 -1.251 -22.108 6.777 1.00 25.00 C ATOM 1013 C ASP A 68 -1.593 -23.131 5.694 1.00 25.00 C ATOM 1014 O ASP A 68 -0.730 -23.621 4.992 1.00 25.00 O ATOM 1015 CB ASP A 68 -1.144 -22.811 8.131 1.00 25.00 C ATOM 1016 CG ASP A 68 -0.880 -21.774 9.224 1.00 25.00 C ATOM 1017 OD1 ASP A 68 -0.287 -20.754 8.914 1.00 50.00 O ATOM 1018 OD2 ASP A 68 -1.276 -22.017 10.352 1.00 50.00 O ATOM 0 H ASP A 68 -2.797 -20.993 7.737 1.00 25.00 H new ATOM 0 HA ASP A 68 -0.299 -21.632 6.541 1.00 25.00 H new ATOM 0 HB2 ASP A 68 -2.065 -23.354 8.345 1.00 25.00 H new ATOM 0 HB3 ASP A 68 -0.339 -23.545 8.109 1.00 25.00 H new ATOM 1023 N PHE A 69 -2.848 -23.453 5.550 1.00 25.00 N ATOM 1024 CA PHE A 69 -3.255 -24.438 4.517 1.00 25.00 C ATOM 1025 C PHE A 69 -3.297 -23.727 3.160 1.00 25.00 C ATOM 1026 O PHE A 69 -2.929 -24.283 2.143 1.00 25.00 O ATOM 1027 CB PHE A 69 -4.637 -25.002 4.902 1.00 25.00 C ATOM 1028 CG PHE A 69 -5.461 -25.298 3.672 1.00 25.00 C ATOM 1029 CD1 PHE A 69 -6.014 -24.244 2.942 1.00 25.00 C ATOM 1030 CD2 PHE A 69 -5.663 -26.619 3.265 1.00 25.00 C ATOM 1031 CE1 PHE A 69 -6.775 -24.510 1.799 1.00 50.00 C ATOM 1032 CE2 PHE A 69 -6.424 -26.888 2.122 1.00 50.00 C ATOM 1033 CZ PHE A 69 -6.980 -25.833 1.387 1.00 50.00 C ATOM 0 H PHE A 69 -3.612 -23.072 6.108 1.00 25.00 H new ATOM 0 HA PHE A 69 -2.549 -25.266 4.451 1.00 25.00 H new ATOM 0 HB2 PHE A 69 -4.512 -25.912 5.488 1.00 25.00 H new ATOM 0 HB3 PHE A 69 -5.163 -24.286 5.533 1.00 25.00 H new ATOM 0 HD1 PHE A 69 -5.854 -23.224 3.260 1.00 25.00 H new ATOM 0 HD2 PHE A 69 -5.232 -27.431 3.832 1.00 25.00 H new ATOM 0 HE1 PHE A 69 -7.204 -23.696 1.234 1.00 50.00 H new ATOM 0 HE2 PHE A 69 -6.583 -27.909 1.807 1.00 50.00 H new ATOM 0 HZ PHE A 69 -7.566 -26.039 0.504 1.00 50.00 H new ATOM 1043 N GLY A 70 -3.738 -22.501 3.140 1.00 16.66 N ATOM 1044 CA GLY A 70 -3.801 -21.749 1.856 1.00 16.66 C ATOM 1045 C GLY A 70 -2.393 -21.641 1.270 1.00 16.66 C ATOM 1046 O GLY A 70 -2.207 -21.635 0.069 1.00 16.66 O ATOM 0 H GLY A 70 -4.059 -21.986 3.960 1.00 16.66 H new ATOM 0 HA2 GLY A 70 -4.462 -22.258 1.154 1.00 16.66 H new ATOM 0 HA3 GLY A 70 -4.216 -20.755 2.022 1.00 16.66 H new ATOM 1050 N ARG A 71 -1.398 -21.563 2.111 1.00 25.00 N ATOM 1051 CA ARG A 71 -0.002 -21.464 1.604 1.00 25.00 C ATOM 1052 C ARG A 71 0.361 -22.768 0.894 1.00 25.00 C ATOM 1053 O ARG A 71 1.049 -22.775 -0.107 1.00 25.00 O ATOM 1054 CB ARG A 71 0.954 -21.233 2.777 1.00 50.00 C ATOM 1055 CG ARG A 71 0.757 -19.818 3.323 1.00 50.00 C ATOM 1056 CD ARG A 71 1.841 -19.519 4.360 1.00 50.00 C ATOM 1057 NE ARG A 71 1.727 -20.486 5.488 1.00 50.00 N ATOM 1058 CZ ARG A 71 2.357 -20.260 6.608 1.00 50.00 C ATOM 1059 NH1 ARG A 71 3.397 -19.473 6.625 1.00 50.00 N ATOM 1060 NH2 ARG A 71 1.947 -20.822 7.712 1.00 50.00 N ATOM 0 H ARG A 71 -1.492 -21.564 3.127 1.00 25.00 H new ATOM 0 HA ARG A 71 0.080 -20.630 0.907 1.00 25.00 H new ATOM 0 HB2 ARG A 71 0.768 -21.966 3.562 1.00 50.00 H new ATOM 0 HB3 ARG A 71 1.985 -21.369 2.452 1.00 50.00 H new ATOM 0 HG2 ARG A 71 0.805 -19.093 2.511 1.00 50.00 H new ATOM 0 HG3 ARG A 71 -0.230 -19.725 3.775 1.00 50.00 H new ATOM 0 HD2 ARG A 71 2.828 -19.592 3.902 1.00 50.00 H new ATOM 0 HD3 ARG A 71 1.735 -18.499 4.729 1.00 50.00 H new ATOM 0 HE ARG A 71 1.156 -21.325 5.385 1.00 50.00 H new ATOM 0 HH11 ARG A 71 3.718 -19.034 5.762 1.00 50.00 H new ATOM 0 HH12 ARG A 71 3.889 -19.297 7.501 1.00 50.00 H new ATOM 0 HH21 ARG A 71 1.134 -21.438 7.699 1.00 50.00 H new ATOM 0 HH22 ARG A 71 2.439 -20.645 8.588 1.00 50.00 H new ATOM 1074 N ALA A 72 -0.106 -23.872 1.407 1.00 25.00 N ATOM 1075 CA ALA A 72 0.198 -25.182 0.765 1.00 25.00 C ATOM 1076 C ALA A 72 -0.472 -25.235 -0.609 1.00 25.00 C ATOM 1077 O ALA A 72 -0.102 -26.017 -1.463 1.00 25.00 O ATOM 1078 CB ALA A 72 -0.341 -26.313 1.643 1.00 50.00 C ATOM 0 H ALA A 72 -0.686 -23.924 2.244 1.00 25.00 H new ATOM 0 HA ALA A 72 1.276 -25.296 0.650 1.00 25.00 H new ATOM 0 HB1 ALA A 72 -0.120 -27.273 1.176 1.00 50.00 H new ATOM 0 HB2 ALA A 72 0.132 -26.269 2.624 1.00 50.00 H new ATOM 0 HB3 ALA A 72 -1.420 -26.204 1.755 1.00 50.00 H new ATOM 1084 N ASN A 73 -1.456 -24.406 -0.827 1.00 25.00 N ATOM 1085 CA ASN A 73 -2.153 -24.400 -2.142 1.00 25.00 C ATOM 1086 C ASN A 73 -2.579 -22.970 -2.480 1.00 25.00 C ATOM 1087 O ASN A 73 -3.735 -22.699 -2.732 1.00 25.00 O ATOM 1088 CB ASN A 73 -3.390 -25.297 -2.069 1.00 25.00 C ATOM 1089 CG ASN A 73 -3.090 -26.508 -1.182 1.00 25.00 C ATOM 1090 OD1 ASN A 73 -2.256 -27.326 -1.512 1.00 50.00 O ATOM 1091 ND2 ASN A 73 -3.742 -26.655 -0.062 1.00 50.00 N ATOM 0 H ASN A 73 -1.807 -23.731 -0.148 1.00 25.00 H new ATOM 0 HA ASN A 73 -1.481 -24.774 -2.914 1.00 25.00 H new ATOM 0 HB2 ASN A 73 -4.235 -24.738 -1.666 1.00 25.00 H new ATOM 0 HB3 ASN A 73 -3.673 -25.626 -3.069 1.00 25.00 H new ATOM 0 HD21 ASN A 73 -3.551 -27.458 0.538 1.00 50.00 H new ATOM 0 HD22 ASN A 73 -4.443 -25.967 0.214 1.00 50.00 H new ATOM 1098 N ARG A 74 -1.650 -22.053 -2.485 1.00 25.00 N ATOM 1099 CA ARG A 74 -1.999 -20.641 -2.803 1.00 25.00 C ATOM 1100 C ARG A 74 -2.818 -20.617 -4.089 1.00 25.00 C ATOM 1101 O ARG A 74 -3.720 -19.820 -4.254 1.00 25.00 O ATOM 1102 CB ARG A 74 -0.719 -19.826 -2.992 1.00 25.00 C ATOM 1103 CG ARG A 74 0.130 -20.457 -4.096 1.00 25.00 C ATOM 1104 CD ARG A 74 1.550 -19.893 -4.033 1.00 25.00 C ATOM 1105 NE ARG A 74 2.246 -20.431 -2.829 1.00 25.00 N ATOM 1106 CZ ARG A 74 3.165 -21.346 -2.962 1.00 50.00 C ATOM 1107 NH1 ARG A 74 4.181 -21.143 -3.756 1.00 50.00 N ATOM 1108 NH2 ARG A 74 3.070 -22.467 -2.299 1.00 50.00 N ATOM 0 H ARG A 74 -0.665 -22.222 -2.282 1.00 25.00 H new ATOM 0 HA ARG A 74 -2.578 -20.208 -1.987 1.00 25.00 H new ATOM 0 HB2 ARG A 74 -0.966 -18.797 -3.252 1.00 25.00 H new ATOM 0 HB3 ARG A 74 -0.156 -19.793 -2.060 1.00 25.00 H new ATOM 0 HG2 ARG A 74 0.152 -21.540 -3.978 1.00 25.00 H new ATOM 0 HG3 ARG A 74 -0.311 -20.251 -5.071 1.00 25.00 H new ATOM 0 HD2 ARG A 74 2.100 -20.162 -4.935 1.00 25.00 H new ATOM 0 HD3 ARG A 74 1.519 -18.804 -3.992 1.00 25.00 H new ATOM 0 HE ARG A 74 2.003 -20.083 -1.901 1.00 25.00 H new ATOM 0 HH11 ARG A 74 4.257 -20.267 -4.274 1.00 50.00 H new ATOM 0 HH12 ARG A 74 4.899 -21.860 -3.859 1.00 50.00 H new ATOM 0 HH21 ARG A 74 2.277 -22.626 -1.678 1.00 50.00 H new ATOM 0 HH22 ARG A 74 3.789 -23.183 -2.403 1.00 50.00 H new ATOM 1122 N GLY A 75 -2.507 -21.492 -5.001 1.00 25.00 N ATOM 1123 CA GLY A 75 -3.257 -21.537 -6.281 1.00 25.00 C ATOM 1124 C GLY A 75 -4.703 -21.959 -6.011 1.00 25.00 C ATOM 1125 O GLY A 75 -5.608 -21.616 -6.746 1.00 25.00 O ATOM 0 H GLY A 75 -1.761 -22.182 -4.913 1.00 25.00 H new ATOM 0 HA2 GLY A 75 -3.236 -20.559 -6.762 1.00 25.00 H new ATOM 0 HA3 GLY A 75 -2.784 -22.239 -6.967 1.00 25.00 H new ATOM 1129 N LEU A 76 -4.926 -22.702 -4.962 1.00 25.00 N ATOM 1130 CA LEU A 76 -6.313 -23.148 -4.645 1.00 25.00 C ATOM 1131 C LEU A 76 -7.156 -21.941 -4.235 1.00 25.00 C ATOM 1132 O LEU A 76 -8.266 -21.759 -4.694 1.00 25.00 O ATOM 1133 CB LEU A 76 -6.274 -24.156 -3.494 1.00 25.00 C ATOM 1134 CG LEU A 76 -5.982 -25.553 -4.048 1.00 25.00 C ATOM 1135 CD1 LEU A 76 -5.989 -26.566 -2.902 1.00 50.00 C ATOM 1136 CD2 LEU A 76 -7.055 -25.930 -5.070 1.00 50.00 C ATOM 0 H LEU A 76 -4.208 -23.020 -4.311 1.00 25.00 H new ATOM 0 HA LEU A 76 -6.753 -23.617 -5.525 1.00 25.00 H new ATOM 0 HB2 LEU A 76 -5.507 -23.872 -2.773 1.00 25.00 H new ATOM 0 HB3 LEU A 76 -7.226 -24.155 -2.964 1.00 25.00 H new ATOM 0 HG LEU A 76 -5.005 -25.557 -4.530 1.00 25.00 H new ATOM 0 HD11 LEU A 76 -5.781 -27.561 -3.295 1.00 50.00 H new ATOM 0 HD12 LEU A 76 -5.224 -26.297 -2.174 1.00 50.00 H new ATOM 0 HD13 LEU A 76 -6.967 -26.563 -2.420 1.00 50.00 H new ATOM 0 HD21 LEU A 76 -6.848 -26.925 -5.465 1.00 50.00 H new ATOM 0 HD22 LEU A 76 -8.033 -25.927 -4.589 1.00 50.00 H new ATOM 0 HD23 LEU A 76 -7.050 -25.207 -5.886 1.00 50.00 H new ATOM 1148 N LEU A 77 -6.636 -21.116 -3.372 1.00 25.00 N ATOM 1149 CA LEU A 77 -7.398 -19.922 -2.926 1.00 25.00 C ATOM 1150 C LEU A 77 -7.653 -19.000 -4.117 1.00 25.00 C ATOM 1151 O LEU A 77 -8.733 -18.471 -4.285 1.00 25.00 O ATOM 1152 CB LEU A 77 -6.589 -19.174 -1.859 1.00 25.00 C ATOM 1153 CG LEU A 77 -6.185 -20.124 -0.717 1.00 25.00 C ATOM 1154 CD1 LEU A 77 -7.223 -21.240 -0.544 1.00 50.00 C ATOM 1155 CD2 LEU A 77 -4.814 -20.740 -1.009 1.00 50.00 C ATOM 0 H LEU A 77 -5.711 -21.219 -2.955 1.00 25.00 H new ATOM 0 HA LEU A 77 -8.353 -20.236 -2.506 1.00 25.00 H new ATOM 0 HB2 LEU A 77 -5.697 -18.740 -2.310 1.00 25.00 H new ATOM 0 HB3 LEU A 77 -7.179 -18.349 -1.461 1.00 25.00 H new ATOM 0 HG LEU A 77 -6.136 -19.547 0.206 1.00 25.00 H new ATOM 0 HD11 LEU A 77 -6.917 -21.899 0.268 1.00 50.00 H new ATOM 0 HD12 LEU A 77 -8.193 -20.802 -0.309 1.00 50.00 H new ATOM 0 HD13 LEU A 77 -7.298 -21.814 -1.468 1.00 50.00 H new ATOM 0 HD21 LEU A 77 -4.536 -21.411 -0.196 1.00 50.00 H new ATOM 0 HD22 LEU A 77 -4.858 -21.300 -1.943 1.00 50.00 H new ATOM 0 HD23 LEU A 77 -4.070 -19.948 -1.096 1.00 50.00 H new ATOM 1167 N LYS A 78 -6.669 -18.804 -4.947 1.00 25.00 N ATOM 1168 CA LYS A 78 -6.858 -17.917 -6.128 1.00 25.00 C ATOM 1169 C LYS A 78 -7.947 -18.498 -7.030 1.00 25.00 C ATOM 1170 O LYS A 78 -8.672 -17.779 -7.687 1.00 25.00 O ATOM 1171 CB LYS A 78 -5.546 -17.821 -6.910 1.00 25.00 C ATOM 1172 CG LYS A 78 -4.495 -17.106 -6.059 1.00 25.00 C ATOM 1173 CD LYS A 78 -3.274 -16.783 -6.923 1.00 50.00 C ATOM 1174 CE LYS A 78 -2.495 -18.068 -7.208 1.00 50.00 C ATOM 1175 NZ LYS A 78 -1.041 -17.757 -7.302 1.00 50.00 N ATOM 0 H LYS A 78 -5.742 -19.219 -4.859 1.00 25.00 H new ATOM 0 HA LYS A 78 -7.154 -16.923 -5.793 1.00 25.00 H new ATOM 0 HB2 LYS A 78 -5.196 -18.818 -7.177 1.00 25.00 H new ATOM 0 HB3 LYS A 78 -5.705 -17.279 -7.842 1.00 25.00 H new ATOM 0 HG2 LYS A 78 -4.912 -16.189 -5.642 1.00 25.00 H new ATOM 0 HG3 LYS A 78 -4.203 -17.735 -5.218 1.00 25.00 H new ATOM 0 HD2 LYS A 78 -3.589 -16.322 -7.859 1.00 50.00 H new ATOM 0 HD3 LYS A 78 -2.634 -16.063 -6.412 1.00 50.00 H new ATOM 0 HE2 LYS A 78 -2.672 -18.796 -6.416 1.00 50.00 H new ATOM 0 HE3 LYS A 78 -2.842 -18.518 -8.138 1.00 50.00 H new ATOM 0 HZ1 LYS A 78 -0.511 -18.631 -7.496 1.00 50.00 H new ATOM 0 HZ2 LYS A 78 -0.881 -17.077 -8.072 1.00 50.00 H new ATOM 0 HZ3 LYS A 78 -0.715 -17.346 -6.404 1.00 50.00 H new ATOM 1189 N ASP A 79 -8.066 -19.796 -7.067 1.00 25.00 N ATOM 1190 CA ASP A 79 -9.107 -20.426 -7.925 1.00 25.00 C ATOM 1191 C ASP A 79 -10.474 -20.273 -7.259 1.00 25.00 C ATOM 1192 O ASP A 79 -11.475 -20.052 -7.912 1.00 25.00 O ATOM 1193 CB ASP A 79 -8.789 -21.912 -8.103 1.00 25.00 C ATOM 1194 CG ASP A 79 -9.780 -22.530 -9.092 1.00 25.00 C ATOM 1195 OD1 ASP A 79 -10.203 -21.828 -9.995 1.00 50.00 O ATOM 1196 OD2 ASP A 79 -10.098 -23.697 -8.929 1.00 50.00 O ATOM 0 H ASP A 79 -7.486 -20.448 -6.539 1.00 25.00 H new ATOM 0 HA ASP A 79 -9.121 -19.938 -8.900 1.00 25.00 H new ATOM 0 HB2 ASP A 79 -7.769 -22.036 -8.468 1.00 25.00 H new ATOM 0 HB3 ASP A 79 -8.848 -22.425 -7.143 1.00 25.00 H new ATOM 1201 N VAL A 80 -10.523 -20.388 -5.962 1.00 25.00 N ATOM 1202 CA VAL A 80 -11.822 -20.250 -5.247 1.00 25.00 C ATOM 1203 C VAL A 80 -12.242 -18.780 -5.236 1.00 25.00 C ATOM 1204 O VAL A 80 -13.403 -18.453 -5.382 1.00 25.00 O ATOM 1205 CB VAL A 80 -11.667 -20.745 -3.808 1.00 50.00 C ATOM 1206 CG1 VAL A 80 -13.021 -20.686 -3.099 1.00 50.00 C ATOM 1207 CG2 VAL A 80 -11.157 -22.188 -3.818 1.00 50.00 C ATOM 0 H VAL A 80 -9.717 -20.572 -5.364 1.00 25.00 H new ATOM 0 HA VAL A 80 -12.582 -20.843 -5.756 1.00 25.00 H new ATOM 0 HB VAL A 80 -10.954 -20.111 -3.280 1.00 50.00 H new ATOM 0 HG11 VAL A 80 -12.910 -21.039 -2.074 1.00 50.00 H new ATOM 0 HG12 VAL A 80 -13.384 -19.658 -3.092 1.00 50.00 H new ATOM 0 HG13 VAL A 80 -13.735 -21.319 -3.625 1.00 50.00 H new ATOM 0 HG21 VAL A 80 -11.046 -22.542 -2.793 1.00 50.00 H new ATOM 0 HG22 VAL A 80 -11.869 -22.822 -4.346 1.00 50.00 H new ATOM 0 HG23 VAL A 80 -10.192 -22.229 -4.322 1.00 50.00 H new ATOM 1217 N ALA A 81 -11.304 -17.893 -5.057 1.00 25.00 N ATOM 1218 CA ALA A 81 -11.642 -16.441 -5.029 1.00 25.00 C ATOM 1219 C ALA A 81 -12.480 -16.078 -6.256 1.00 25.00 C ATOM 1220 O ALA A 81 -13.459 -15.367 -6.161 1.00 25.00 O ATOM 1221 CB ALA A 81 -10.351 -15.619 -5.032 1.00 50.00 C ATOM 0 H ALA A 81 -10.316 -18.110 -4.929 1.00 25.00 H new ATOM 0 HA ALA A 81 -12.214 -16.223 -4.127 1.00 25.00 H new ATOM 0 HB1 ALA A 81 -10.596 -14.557 -5.012 1.00 50.00 H new ATOM 0 HB2 ALA A 81 -9.757 -15.871 -4.154 1.00 50.00 H new ATOM 0 HB3 ALA A 81 -9.780 -15.842 -5.933 1.00 50.00 H new ATOM 1227 N LYS A 82 -12.101 -16.556 -7.407 1.00 25.00 N ATOM 1228 CA LYS A 82 -12.873 -16.233 -8.640 1.00 25.00 C ATOM 1229 C LYS A 82 -14.267 -16.855 -8.546 1.00 25.00 C ATOM 1230 O LYS A 82 -15.212 -16.377 -9.142 1.00 25.00 O ATOM 1231 CB LYS A 82 -12.144 -16.797 -9.861 1.00 25.00 C ATOM 1232 CG LYS A 82 -10.764 -16.148 -9.977 1.00 25.00 C ATOM 1233 CD LYS A 82 -10.084 -16.622 -11.263 1.00 25.00 C ATOM 1234 CE LYS A 82 -8.609 -16.219 -11.239 1.00 50.00 C ATOM 1235 NZ LYS A 82 -7.776 -17.397 -10.867 1.00 50.00 N ATOM 0 H LYS A 82 -11.289 -17.157 -7.548 1.00 25.00 H new ATOM 0 HA LYS A 82 -12.964 -15.151 -8.739 1.00 25.00 H new ATOM 0 HB2 LYS A 82 -12.042 -17.878 -9.770 1.00 25.00 H new ATOM 0 HB3 LYS A 82 -12.724 -16.607 -10.764 1.00 25.00 H new ATOM 0 HG2 LYS A 82 -10.860 -15.062 -9.983 1.00 25.00 H new ATOM 0 HG3 LYS A 82 -10.154 -16.409 -9.113 1.00 25.00 H new ATOM 0 HD2 LYS A 82 -10.175 -17.704 -11.357 1.00 25.00 H new ATOM 0 HD3 LYS A 82 -10.578 -16.184 -12.131 1.00 25.00 H new ATOM 0 HE2 LYS A 82 -8.308 -15.842 -12.217 1.00 50.00 H new ATOM 0 HE3 LYS A 82 -8.454 -15.411 -10.524 1.00 50.00 H new ATOM 0 HZ1 LYS A 82 -6.770 -17.161 -10.982 1.00 50.00 H new ATOM 0 HZ2 LYS A 82 -7.960 -17.654 -9.876 1.00 50.00 H new ATOM 0 HZ3 LYS A 82 -8.016 -18.200 -11.483 1.00 50.00 H new ATOM 1249 N ILE A 83 -14.400 -17.919 -7.805 1.00 25.00 N ATOM 1250 CA ILE A 83 -15.730 -18.573 -7.672 1.00 25.00 C ATOM 1251 C ILE A 83 -16.695 -17.632 -6.954 1.00 25.00 C ATOM 1252 O ILE A 83 -17.809 -17.415 -7.388 1.00 25.00 O ATOM 1253 CB ILE A 83 -15.578 -19.863 -6.865 1.00 50.00 C ATOM 1254 CG1 ILE A 83 -14.466 -20.717 -7.477 1.00 50.00 C ATOM 1255 CG2 ILE A 83 -16.897 -20.638 -6.893 1.00 50.00 C ATOM 1256 CD1 ILE A 83 -14.520 -22.129 -6.890 1.00 50.00 C ATOM 0 H ILE A 83 -13.644 -18.364 -7.285 1.00 25.00 H new ATOM 0 HA ILE A 83 -16.124 -18.804 -8.662 1.00 25.00 H new ATOM 0 HB ILE A 83 -15.322 -19.622 -5.833 1.00 50.00 H new ATOM 0 HG12 ILE A 83 -14.580 -20.758 -8.560 1.00 50.00 H new ATOM 0 HG13 ILE A 83 -13.495 -20.266 -7.276 1.00 50.00 H new ATOM 0 HG21 ILE A 83 -16.791 -21.558 -6.318 1.00 50.00 H new ATOM 0 HG22 ILE A 83 -17.687 -20.027 -6.457 1.00 50.00 H new ATOM 0 HG23 ILE A 83 -17.154 -20.882 -7.924 1.00 50.00 H new ATOM 0 HD11 ILE A 83 -13.727 -22.735 -7.327 1.00 50.00 H new ATOM 0 HD12 ILE A 83 -14.385 -22.079 -5.810 1.00 50.00 H new ATOM 0 HD13 ILE A 83 -15.487 -22.580 -7.114 1.00 50.00 H new ATOM 1268 N PHE A 84 -16.272 -17.070 -5.860 1.00 25.00 N ATOM 1269 CA PHE A 84 -17.159 -16.139 -5.107 1.00 25.00 C ATOM 1270 C PHE A 84 -17.102 -14.751 -5.749 1.00 25.00 C ATOM 1271 O PHE A 84 -16.070 -14.421 -6.310 1.00 99.99 O ATOM 1272 CB PHE A 84 -16.687 -16.049 -3.654 1.00 50.00 C ATOM 1273 CG PHE A 84 -16.951 -17.363 -2.958 1.00 50.00 C ATOM 1274 CD1 PHE A 84 -16.040 -18.419 -3.087 1.00 50.00 C ATOM 1275 CD2 PHE A 84 -18.106 -17.526 -2.184 1.00 50.00 C ATOM 1276 CE1 PHE A 84 -16.284 -19.636 -2.442 1.00 50.00 C ATOM 1277 CE2 PHE A 84 -18.350 -18.744 -1.540 1.00 50.00 C ATOM 1278 CZ PHE A 84 -17.439 -19.799 -1.668 1.00 50.00 C ATOM 1279 OXT PHE A 84 -18.091 -14.042 -5.667 1.00 25.00 O ATOM 0 H PHE A 84 -15.348 -17.214 -5.452 1.00 25.00 H new ATOM 0 HA PHE A 84 -18.183 -16.510 -5.134 1.00 25.00 H new ATOM 0 HB2 PHE A 84 -15.623 -15.814 -3.620 1.00 50.00 H new ATOM 0 HB3 PHE A 84 -17.209 -15.242 -3.140 1.00 50.00 H new ATOM 0 HD1 PHE A 84 -15.149 -18.294 -3.684 1.00 50.00 H new ATOM 0 HD2 PHE A 84 -18.809 -16.712 -2.084 1.00 50.00 H new ATOM 0 HE1 PHE A 84 -15.581 -20.450 -2.541 1.00 50.00 H new ATOM 0 HE2 PHE A 84 -19.242 -18.870 -0.944 1.00 50.00 H new ATOM 0 HZ PHE A 84 -17.627 -20.739 -1.170 1.00 50.00 H new TER 1289 PHE A 84 HETATM 1290 CA CA A1085 -18.138 -19.416 11.983 1.00 14.39 CA HETATM 1291 CA CA A1086 -9.319 -25.455 14.188 1.00 13.26 CA