USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 842 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 32 GLN : amide:sc= -1.19 K(o=-1.4,f=-5.9!) USER MOD Set 1.2: A 37 LYS NZ :NH3+ -116:sc= -0.251 (180deg=-1.2) USER MOD Set 2.1: A 1 MET N :NH3+ 169:sc= 1.13 (180deg=1.09) USER MOD Set 2.2: A 3 MET CE :methyl 176:sc= -0.833 (180deg=-0.864) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -82:sc= 0.184 USER MOD Single : A 4 THR OG1 : rot 35:sc= 1.23 USER MOD Single : A 8 ASN : amide:sc= 1.15 K(o=1.1,f=-0.084) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -161:sc= 1.21 (180deg=0.578) USER MOD Single : A 20 SER OG : rot 99:sc= 1.26 USER MOD Single : A 22 THR OG1 : rot 125:sc= 0.85 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -3.04 K(o=-3,f=-6!) USER MOD Single : A 28 LYS NZ :NH3+ 163:sc= 1.24 (180deg=1.21) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -139:sc= 1.23 (180deg=0.534) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 144:sc= 0.637 (180deg=0.0511) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -176:sc= -0.237 (180deg=-0.283) USER MOD Single : A 72 SER OG : rot 67:sc= 1.1 USER MOD Single : A 79 SER OG : rot 165:sc= 1.44 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc=-0.00767 USER MOD Single : A 84 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00195) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -166:sc= 1.21 (180deg=0.996) USER MOD Single : A 97 LYS NZ :NH3+ -179:sc= 1.24 (180deg=1.18) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot -110:sc= 1.21 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.364 -2.811 11.428 1.00 4.35 N ATOM 2 CA MET A 1 3.969 -1.800 12.314 1.00 3.09 C ATOM 3 C MET A 1 5.367 -2.258 12.737 1.00 1.92 C ATOM 4 O MET A 1 5.564 -2.594 13.897 1.00 2.57 O ATOM 5 CB MET A 1 3.017 -1.479 13.483 1.00 3.11 C ATOM 6 CG MET A 1 3.574 -0.400 14.419 1.00 3.44 C ATOM 7 SD MET A 1 2.310 0.665 15.171 1.00 4.80 S ATOM 8 CE MET A 1 3.365 1.620 16.294 1.00 5.82 C ATOM 0 H1 MET A 1 2.356 -2.595 11.292 1.00 4.35 H new ATOM 0 H2 MET A 1 3.848 -2.800 10.507 1.00 4.35 H new ATOM 0 H3 MET A 1 3.461 -3.753 11.859 1.00 4.35 H new ATOM 0 HA MET A 1 4.108 -0.856 11.787 1.00 3.09 H new ATOM 0 HB2 MET A 1 2.057 -1.149 13.085 1.00 3.11 H new ATOM 0 HB3 MET A 1 2.830 -2.388 14.054 1.00 3.11 H new ATOM 0 HG2 MET A 1 4.144 -0.883 15.213 1.00 3.44 H new ATOM 0 HG3 MET A 1 4.272 0.224 13.860 1.00 3.44 H new ATOM 0 HE1 MET A 1 2.755 2.334 16.847 1.00 5.82 H new ATOM 0 HE2 MET A 1 3.857 0.944 16.994 1.00 5.82 H new ATOM 0 HE3 MET A 1 4.118 2.156 15.717 1.00 5.82 H new ATOM 20 N SER A 2 6.287 -2.276 11.752 1.00 1.43 N ATOM 21 CA SER A 2 7.654 -2.853 11.706 1.00 1.26 C ATOM 22 C SER A 2 7.895 -3.569 10.359 1.00 0.99 C ATOM 23 O SER A 2 8.112 -4.783 10.287 1.00 0.99 O ATOM 24 CB SER A 2 8.030 -3.738 12.914 1.00 2.28 C ATOM 25 OG SER A 2 7.157 -4.840 13.059 1.00 3.83 O ATOM 0 H SER A 2 6.066 -1.834 10.860 1.00 1.43 H new ATOM 0 HA SER A 2 8.335 -2.006 11.783 1.00 1.26 H new ATOM 0 HB2 SER A 2 9.052 -4.099 12.794 1.00 2.28 H new ATOM 0 HB3 SER A 2 8.009 -3.137 13.823 1.00 2.28 H new ATOM 0 HG SER A 2 6.344 -4.554 13.526 1.00 3.83 H new ATOM 31 N MET A 3 7.825 -2.805 9.255 1.00 0.95 N ATOM 32 CA MET A 3 7.895 -3.316 7.876 1.00 0.95 C ATOM 33 C MET A 3 9.332 -3.722 7.488 1.00 1.10 C ATOM 34 O MET A 3 10.057 -3.042 6.761 1.00 2.29 O ATOM 35 CB MET A 3 7.243 -2.316 6.898 1.00 0.88 C ATOM 36 CG MET A 3 6.209 -3.000 5.991 1.00 1.61 C ATOM 37 SD MET A 3 4.480 -2.754 6.496 1.00 2.04 S ATOM 38 CE MET A 3 4.441 -3.619 8.086 1.00 2.81 C ATOM 0 H MET A 3 7.716 -1.792 9.298 1.00 0.95 H new ATOM 0 HA MET A 3 7.315 -4.236 7.811 1.00 0.95 H new ATOM 0 HB2 MET A 3 6.761 -1.517 7.462 1.00 0.88 H new ATOM 0 HB3 MET A 3 8.015 -1.852 6.284 1.00 0.88 H new ATOM 0 HG2 MET A 3 6.334 -2.627 4.974 1.00 1.61 H new ATOM 0 HG3 MET A 3 6.418 -4.069 5.966 1.00 1.61 H new ATOM 0 HE1 MET A 3 3.461 -3.491 8.546 1.00 2.81 H new ATOM 0 HE2 MET A 3 4.631 -4.680 7.927 1.00 2.81 H new ATOM 0 HE3 MET A 3 5.207 -3.207 8.743 1.00 2.81 H new ATOM 48 N THR A 4 9.765 -4.837 8.069 1.00 0.68 N ATOM 49 CA THR A 4 11.121 -5.401 8.061 1.00 0.60 C ATOM 50 C THR A 4 11.111 -6.673 8.901 1.00 0.54 C ATOM 51 O THR A 4 11.550 -7.718 8.433 1.00 0.71 O ATOM 52 CB THR A 4 12.132 -4.386 8.634 1.00 0.74 C ATOM 53 OG1 THR A 4 12.460 -3.480 7.609 1.00 0.99 O ATOM 54 CG2 THR A 4 13.432 -4.994 9.162 1.00 0.85 C ATOM 0 H THR A 4 9.125 -5.423 8.605 1.00 0.68 H new ATOM 0 HA THR A 4 11.423 -5.629 7.039 1.00 0.60 H new ATOM 0 HB THR A 4 11.646 -3.919 9.491 1.00 0.74 H new ATOM 0 HG1 THR A 4 11.674 -3.327 7.044 1.00 0.99 H new ATOM 0 HG21 THR A 4 14.076 -4.201 9.543 1.00 0.85 H new ATOM 0 HG22 THR A 4 13.206 -5.695 9.965 1.00 0.85 H new ATOM 0 HG23 THR A 4 13.942 -5.519 8.355 1.00 0.85 H new ATOM 62 N ASP A 5 10.583 -6.553 10.126 1.00 0.51 N ATOM 63 CA ASP A 5 10.476 -7.602 11.134 1.00 0.57 C ATOM 64 C ASP A 5 9.366 -8.599 10.767 1.00 0.63 C ATOM 65 O ASP A 5 9.609 -9.795 10.636 1.00 0.93 O ATOM 66 CB ASP A 5 10.198 -6.907 12.479 1.00 0.72 C ATOM 67 CG ASP A 5 10.466 -7.827 13.665 1.00 1.06 C ATOM 68 OD1 ASP A 5 11.648 -7.905 14.061 1.00 2.00 O ATOM 69 OD2 ASP A 5 9.478 -8.407 14.163 1.00 2.39 O ATOM 0 H ASP A 5 10.198 -5.667 10.454 1.00 0.51 H new ATOM 0 HA ASP A 5 11.397 -8.181 11.196 1.00 0.57 H new ATOM 0 HB2 ASP A 5 10.822 -6.017 12.563 1.00 0.72 H new ATOM 0 HB3 ASP A 5 9.161 -6.573 12.507 1.00 0.72 H new ATOM 74 N LEU A 6 8.153 -8.076 10.543 1.00 0.55 N ATOM 75 CA LEU A 6 6.957 -8.841 10.188 1.00 0.68 C ATOM 76 C LEU A 6 7.079 -9.515 8.810 1.00 0.66 C ATOM 77 O LEU A 6 6.729 -10.683 8.645 1.00 0.68 O ATOM 78 CB LEU A 6 5.755 -7.877 10.231 1.00 0.82 C ATOM 79 CG LEU A 6 5.387 -7.379 11.640 1.00 0.97 C ATOM 80 CD1 LEU A 6 4.346 -6.257 11.540 1.00 1.81 C ATOM 81 CD2 LEU A 6 4.836 -8.483 12.547 1.00 1.76 C ATOM 0 H LEU A 6 7.975 -7.074 10.607 1.00 0.55 H new ATOM 0 HA LEU A 6 6.824 -9.653 10.903 1.00 0.68 H new ATOM 0 HB2 LEU A 6 5.974 -7.015 9.600 1.00 0.82 H new ATOM 0 HB3 LEU A 6 4.889 -8.377 9.798 1.00 0.82 H new ATOM 0 HG LEU A 6 6.312 -7.017 12.089 1.00 0.97 H new ATOM 0 HD11 LEU A 6 4.089 -5.909 12.540 1.00 1.81 H new ATOM 0 HD12 LEU A 6 4.757 -5.430 10.962 1.00 1.81 H new ATOM 0 HD13 LEU A 6 3.450 -6.635 11.047 1.00 1.81 H new ATOM 0 HD21 LEU A 6 4.597 -8.065 13.525 1.00 1.76 H new ATOM 0 HD22 LEU A 6 3.934 -8.904 12.102 1.00 1.76 H new ATOM 0 HD23 LEU A 6 5.584 -9.267 12.661 1.00 1.76 H new ATOM 93 N LEU A 7 7.578 -8.769 7.816 1.00 0.73 N ATOM 94 CA LEU A 7 7.606 -9.185 6.413 1.00 0.69 C ATOM 95 C LEU A 7 8.944 -9.816 6.038 1.00 0.78 C ATOM 96 O LEU A 7 9.030 -11.042 5.946 1.00 1.44 O ATOM 97 CB LEU A 7 7.221 -8.003 5.493 1.00 0.75 C ATOM 98 CG LEU A 7 5.713 -7.813 5.250 1.00 0.89 C ATOM 99 CD1 LEU A 7 5.133 -8.966 4.419 1.00 2.53 C ATOM 100 CD2 LEU A 7 4.927 -7.618 6.546 1.00 1.56 C ATOM 0 H LEU A 7 7.980 -7.844 7.970 1.00 0.73 H new ATOM 0 HA LEU A 7 6.858 -9.965 6.268 1.00 0.69 H new ATOM 0 HB2 LEU A 7 7.620 -7.085 5.925 1.00 0.75 H new ATOM 0 HB3 LEU A 7 7.711 -8.141 4.529 1.00 0.75 H new ATOM 0 HG LEU A 7 5.605 -6.892 4.677 1.00 0.89 H new ATOM 0 HD11 LEU A 7 4.066 -8.803 4.265 1.00 2.53 H new ATOM 0 HD12 LEU A 7 5.637 -9.008 3.454 1.00 2.53 H new ATOM 0 HD13 LEU A 7 5.283 -9.907 4.948 1.00 2.53 H new ATOM 0 HD21 LEU A 7 3.870 -7.489 6.314 1.00 1.56 H new ATOM 0 HD22 LEU A 7 5.055 -8.493 7.184 1.00 1.56 H new ATOM 0 HD23 LEU A 7 5.295 -6.733 7.065 1.00 1.56 H new ATOM 112 N ASN A 8 9.939 -8.949 5.822 1.00 0.60 N ATOM 113 CA ASN A 8 11.323 -9.140 5.387 1.00 0.57 C ATOM 114 C ASN A 8 11.808 -7.842 4.724 1.00 0.48 C ATOM 115 O ASN A 8 11.257 -7.437 3.698 1.00 0.46 O ATOM 116 CB ASN A 8 11.519 -10.327 4.414 1.00 0.71 C ATOM 117 CG ASN A 8 12.163 -11.527 5.085 1.00 1.23 C ATOM 118 OD1 ASN A 8 13.371 -11.687 5.081 1.00 2.38 O ATOM 119 ND2 ASN A 8 11.377 -12.376 5.711 1.00 1.59 N ATOM 0 H ASN A 8 9.763 -7.955 5.971 1.00 0.60 H new ATOM 0 HA ASN A 8 11.908 -9.382 6.274 1.00 0.57 H new ATOM 0 HB2 ASN A 8 10.553 -10.619 4.003 1.00 0.71 H new ATOM 0 HB3 ASN A 8 12.138 -10.007 3.576 1.00 0.71 H new ATOM 0 HD21 ASN A 8 11.777 -13.177 6.199 1.00 1.59 H new ATOM 0 HD22 ASN A 8 10.367 -12.233 5.708 1.00 1.59 H new ATOM 126 N ALA A 9 12.854 -7.204 5.263 1.00 0.47 N ATOM 127 CA ALA A 9 13.492 -6.057 4.604 1.00 0.43 C ATOM 128 C ALA A 9 13.920 -6.378 3.161 1.00 0.38 C ATOM 129 O ALA A 9 13.760 -5.547 2.269 1.00 0.38 O ATOM 130 CB ALA A 9 14.693 -5.591 5.429 1.00 0.51 C ATOM 0 H ALA A 9 13.277 -7.463 6.154 1.00 0.47 H new ATOM 0 HA ALA A 9 12.756 -5.255 4.545 1.00 0.43 H new ATOM 0 HB1 ALA A 9 15.164 -4.740 4.937 1.00 0.51 H new ATOM 0 HB2 ALA A 9 14.359 -5.296 6.424 1.00 0.51 H new ATOM 0 HB3 ALA A 9 15.413 -6.405 5.515 1.00 0.51 H new ATOM 136 N GLU A 10 14.412 -7.600 2.919 1.00 0.41 N ATOM 137 CA GLU A 10 14.809 -8.060 1.588 1.00 0.43 C ATOM 138 C GLU A 10 13.640 -8.109 0.590 1.00 0.45 C ATOM 139 O GLU A 10 13.845 -7.890 -0.601 1.00 0.71 O ATOM 140 CB GLU A 10 15.467 -9.451 1.682 1.00 0.57 C ATOM 141 CG GLU A 10 16.819 -9.476 0.958 1.00 1.73 C ATOM 142 CD GLU A 10 17.122 -10.871 0.393 1.00 2.67 C ATOM 143 OE1 GLU A 10 16.668 -11.125 -0.749 1.00 4.10 O ATOM 144 OE2 GLU A 10 17.795 -11.655 1.093 1.00 2.93 O ATOM 0 H GLU A 10 14.545 -8.300 3.649 1.00 0.41 H new ATOM 0 HA GLU A 10 15.523 -7.329 1.208 1.00 0.43 H new ATOM 0 HB2 GLU A 10 15.607 -9.720 2.729 1.00 0.57 H new ATOM 0 HB3 GLU A 10 14.805 -10.199 1.247 1.00 0.57 H new ATOM 0 HG2 GLU A 10 16.814 -8.746 0.148 1.00 1.73 H new ATOM 0 HG3 GLU A 10 17.609 -9.181 1.648 1.00 1.73 H new ATOM 151 N ASP A 11 12.427 -8.384 1.067 1.00 0.36 N ATOM 152 CA ASP A 11 11.193 -8.458 0.284 1.00 0.37 C ATOM 153 C ASP A 11 10.692 -7.026 0.031 1.00 0.35 C ATOM 154 O ASP A 11 10.497 -6.627 -1.121 1.00 0.48 O ATOM 155 CB ASP A 11 10.145 -9.328 1.010 1.00 0.42 C ATOM 156 CG ASP A 11 10.437 -10.834 1.116 1.00 0.73 C ATOM 157 OD1 ASP A 11 11.621 -11.228 1.162 1.00 1.98 O ATOM 158 OD2 ASP A 11 9.450 -11.608 1.198 1.00 1.62 O ATOM 0 H ASP A 11 12.270 -8.570 2.057 1.00 0.36 H new ATOM 0 HA ASP A 11 11.378 -8.936 -0.678 1.00 0.37 H new ATOM 0 HB2 ASP A 11 10.020 -8.936 2.019 1.00 0.42 H new ATOM 0 HB3 ASP A 11 9.190 -9.204 0.500 1.00 0.42 H new ATOM 163 N ILE A 12 10.589 -6.219 1.100 1.00 0.26 N ATOM 164 CA ILE A 12 10.305 -4.776 1.051 1.00 0.26 C ATOM 165 C ILE A 12 11.198 -4.050 0.037 1.00 0.27 C ATOM 166 O ILE A 12 10.700 -3.248 -0.754 1.00 0.35 O ATOM 167 CB ILE A 12 10.376 -4.169 2.478 1.00 0.29 C ATOM 168 CG1 ILE A 12 8.979 -4.096 3.136 1.00 0.42 C ATOM 169 CG2 ILE A 12 10.962 -2.759 2.542 1.00 0.35 C ATOM 170 CD1 ILE A 12 8.627 -5.396 3.846 1.00 0.56 C ATOM 0 H ILE A 12 10.705 -6.565 2.053 1.00 0.26 H new ATOM 0 HA ILE A 12 9.287 -4.632 0.690 1.00 0.26 H new ATOM 0 HB ILE A 12 11.041 -4.850 3.009 1.00 0.29 H new ATOM 0 HG12 ILE A 12 8.955 -3.272 3.850 1.00 0.42 H new ATOM 0 HG13 ILE A 12 8.228 -3.881 2.375 1.00 0.42 H new ATOM 0 HG21 ILE A 12 10.973 -2.416 3.577 1.00 0.35 H new ATOM 0 HG22 ILE A 12 11.980 -2.770 2.153 1.00 0.35 H new ATOM 0 HG23 ILE A 12 10.352 -2.084 1.942 1.00 0.35 H new ATOM 0 HD11 ILE A 12 7.638 -5.308 4.297 1.00 0.56 H new ATOM 0 HD12 ILE A 12 8.626 -6.215 3.127 1.00 0.56 H new ATOM 0 HD13 ILE A 12 9.364 -5.597 4.624 1.00 0.56 H new ATOM 182 N LYS A 13 12.503 -4.350 0.020 1.00 0.27 N ATOM 183 CA LYS A 13 13.482 -3.746 -0.875 1.00 0.37 C ATOM 184 C LYS A 13 13.128 -3.925 -2.357 1.00 0.50 C ATOM 185 O LYS A 13 13.190 -2.950 -3.106 1.00 0.61 O ATOM 186 CB LYS A 13 14.856 -4.318 -0.490 1.00 0.51 C ATOM 187 CG LYS A 13 15.961 -4.081 -1.518 1.00 1.18 C ATOM 188 CD LYS A 13 16.248 -2.589 -1.800 1.00 1.88 C ATOM 189 CE LYS A 13 16.240 -2.246 -3.297 1.00 2.92 C ATOM 190 NZ LYS A 13 17.481 -2.680 -3.981 1.00 3.32 N ATOM 0 H LYS A 13 12.913 -5.040 0.649 1.00 0.27 H new ATOM 0 HA LYS A 13 13.492 -2.663 -0.753 1.00 0.37 H new ATOM 0 HB2 LYS A 13 15.163 -3.880 0.460 1.00 0.51 H new ATOM 0 HB3 LYS A 13 14.754 -5.391 -0.328 1.00 0.51 H new ATOM 0 HG2 LYS A 13 16.877 -4.557 -1.168 1.00 1.18 H new ATOM 0 HG3 LYS A 13 15.685 -4.570 -2.452 1.00 1.18 H new ATOM 0 HD2 LYS A 13 15.503 -1.979 -1.290 1.00 1.88 H new ATOM 0 HD3 LYS A 13 17.218 -2.326 -1.378 1.00 1.88 H new ATOM 0 HE2 LYS A 13 15.381 -2.721 -3.772 1.00 2.92 H new ATOM 0 HE3 LYS A 13 16.117 -1.170 -3.420 1.00 2.92 H new ATOM 0 HZ1 LYS A 13 17.429 -2.427 -4.988 1.00 3.32 H new ATOM 0 HZ2 LYS A 13 18.300 -2.208 -3.547 1.00 3.32 H new ATOM 0 HZ3 LYS A 13 17.586 -3.710 -3.888 1.00 3.32 H new ATOM 204 N LYS A 14 12.773 -5.142 -2.797 1.00 0.58 N ATOM 205 CA LYS A 14 12.321 -5.378 -4.181 1.00 0.77 C ATOM 206 C LYS A 14 10.940 -4.766 -4.423 1.00 0.79 C ATOM 207 O LYS A 14 10.694 -4.236 -5.503 1.00 0.90 O ATOM 208 CB LYS A 14 12.336 -6.881 -4.540 1.00 0.91 C ATOM 209 CG LYS A 14 13.722 -7.390 -4.989 1.00 1.22 C ATOM 210 CD LYS A 14 14.675 -7.777 -3.847 1.00 2.31 C ATOM 211 CE LYS A 14 14.618 -9.275 -3.503 1.00 2.82 C ATOM 212 NZ LYS A 14 15.281 -9.526 -2.209 1.00 4.20 N ATOM 0 H LYS A 14 12.790 -5.980 -2.215 1.00 0.58 H new ATOM 0 HA LYS A 14 13.029 -4.880 -4.843 1.00 0.77 H new ATOM 0 HB2 LYS A 14 12.009 -7.457 -3.674 1.00 0.91 H new ATOM 0 HB3 LYS A 14 11.614 -7.064 -5.336 1.00 0.91 H new ATOM 0 HG2 LYS A 14 13.582 -8.257 -5.634 1.00 1.22 H new ATOM 0 HG3 LYS A 14 14.198 -6.617 -5.593 1.00 1.22 H new ATOM 0 HD2 LYS A 14 15.695 -7.512 -4.126 1.00 2.31 H new ATOM 0 HD3 LYS A 14 14.426 -7.196 -2.959 1.00 2.31 H new ATOM 0 HE2 LYS A 14 13.580 -9.606 -3.459 1.00 2.82 H new ATOM 0 HE3 LYS A 14 15.104 -9.855 -4.288 1.00 2.82 H new ATOM 0 HZ1 LYS A 14 15.525 -10.534 -2.134 1.00 4.20 H new ATOM 0 HZ2 LYS A 14 16.148 -8.955 -2.146 1.00 4.20 H new ATOM 0 HZ3 LYS A 14 14.638 -9.266 -1.434 1.00 4.20 H new ATOM 226 N ALA A 15 10.070 -4.792 -3.413 1.00 0.73 N ATOM 227 CA ALA A 15 8.722 -4.260 -3.492 1.00 0.83 C ATOM 228 C ALA A 15 8.676 -2.746 -3.727 1.00 0.66 C ATOM 229 O ALA A 15 8.033 -2.311 -4.680 1.00 0.68 O ATOM 230 CB ALA A 15 7.988 -4.657 -2.223 1.00 0.94 C ATOM 0 H ALA A 15 10.293 -5.193 -2.502 1.00 0.73 H new ATOM 0 HA ALA A 15 8.229 -4.687 -4.366 1.00 0.83 H new ATOM 0 HB1 ALA A 15 6.970 -4.269 -2.255 1.00 0.94 H new ATOM 0 HB2 ALA A 15 7.960 -5.744 -2.144 1.00 0.94 H new ATOM 0 HB3 ALA A 15 8.506 -4.243 -1.358 1.00 0.94 H new ATOM 236 N VAL A 16 9.363 -1.931 -2.907 1.00 0.51 N ATOM 237 CA VAL A 16 9.373 -0.464 -3.073 1.00 0.39 C ATOM 238 C VAL A 16 9.849 -0.072 -4.485 1.00 0.29 C ATOM 239 O VAL A 16 9.329 0.879 -5.074 1.00 0.32 O ATOM 240 CB VAL A 16 10.195 0.228 -1.958 1.00 0.35 C ATOM 241 CG1 VAL A 16 10.329 1.748 -2.139 1.00 0.55 C ATOM 242 CG2 VAL A 16 9.536 0.003 -0.590 1.00 0.73 C ATOM 0 H VAL A 16 9.920 -2.263 -2.120 1.00 0.51 H new ATOM 0 HA VAL A 16 8.349 -0.105 -2.970 1.00 0.39 H new ATOM 0 HB VAL A 16 11.186 -0.221 -2.019 1.00 0.35 H new ATOM 0 HG11 VAL A 16 10.917 2.161 -1.320 1.00 0.55 H new ATOM 0 HG12 VAL A 16 10.826 1.959 -3.086 1.00 0.55 H new ATOM 0 HG13 VAL A 16 9.339 2.203 -2.140 1.00 0.55 H new ATOM 0 HG21 VAL A 16 10.126 0.495 0.183 1.00 0.73 H new ATOM 0 HG22 VAL A 16 8.529 0.419 -0.599 1.00 0.73 H new ATOM 0 HG23 VAL A 16 9.485 -1.066 -0.382 1.00 0.73 H new ATOM 252 N GLY A 17 10.756 -0.861 -5.079 1.00 0.33 N ATOM 253 CA GLY A 17 11.218 -0.690 -6.457 1.00 0.40 C ATOM 254 C GLY A 17 10.128 -0.844 -7.530 1.00 0.49 C ATOM 255 O GLY A 17 10.329 -0.382 -8.648 1.00 0.67 O ATOM 0 H GLY A 17 11.195 -1.649 -4.603 1.00 0.33 H new ATOM 0 HA2 GLY A 17 11.666 0.299 -6.554 1.00 0.40 H new ATOM 0 HA3 GLY A 17 12.006 -1.417 -6.653 1.00 0.40 H new ATOM 259 N ALA A 18 8.978 -1.456 -7.211 1.00 0.50 N ATOM 260 CA ALA A 18 7.865 -1.673 -8.141 1.00 0.57 C ATOM 261 C ALA A 18 6.885 -0.482 -8.243 1.00 0.50 C ATOM 262 O ALA A 18 6.514 -0.094 -9.351 1.00 0.74 O ATOM 263 CB ALA A 18 7.150 -2.965 -7.733 1.00 0.70 C ATOM 0 H ALA A 18 8.794 -1.822 -6.277 1.00 0.50 H new ATOM 0 HA ALA A 18 8.277 -1.763 -9.146 1.00 0.57 H new ATOM 0 HB1 ALA A 18 6.316 -3.149 -8.411 1.00 0.70 H new ATOM 0 HB2 ALA A 18 7.850 -3.799 -7.783 1.00 0.70 H new ATOM 0 HB3 ALA A 18 6.775 -2.867 -6.714 1.00 0.70 H new ATOM 269 N PHE A 19 6.494 0.133 -7.112 1.00 0.41 N ATOM 270 CA PHE A 19 5.755 1.414 -7.098 1.00 0.42 C ATOM 271 C PHE A 19 6.651 2.598 -7.515 1.00 0.52 C ATOM 272 O PHE A 19 6.110 3.637 -7.884 1.00 0.69 O ATOM 273 CB PHE A 19 5.233 1.728 -5.688 1.00 0.43 C ATOM 274 CG PHE A 19 3.886 1.146 -5.298 1.00 0.59 C ATOM 275 CD1 PHE A 19 3.825 -0.160 -4.791 1.00 1.49 C ATOM 276 CD2 PHE A 19 2.723 1.950 -5.286 1.00 2.09 C ATOM 277 CE1 PHE A 19 2.622 -0.650 -4.263 1.00 1.52 C ATOM 278 CE2 PHE A 19 1.527 1.460 -4.725 1.00 2.25 C ATOM 279 CZ PHE A 19 1.470 0.138 -4.267 1.00 1.04 C ATOM 0 H PHE A 19 6.680 -0.242 -6.182 1.00 0.41 H new ATOM 0 HA PHE A 19 4.934 1.297 -7.805 1.00 0.42 H new ATOM 0 HB2 PHE A 19 5.973 1.377 -4.969 1.00 0.43 H new ATOM 0 HB3 PHE A 19 5.175 2.811 -5.583 1.00 0.43 H new ATOM 0 HD1 PHE A 19 4.704 -0.788 -4.807 1.00 1.49 H new ATOM 0 HD2 PHE A 19 2.752 2.944 -5.708 1.00 2.09 H new ATOM 0 HE1 PHE A 19 2.586 -1.647 -3.849 1.00 1.52 H new ATOM 0 HE2 PHE A 19 0.660 2.100 -4.649 1.00 2.25 H new ATOM 0 HZ PHE A 19 0.534 -0.272 -3.917 1.00 1.04 H new ATOM 289 N SER A 20 7.990 2.474 -7.419 1.00 0.51 N ATOM 290 CA SER A 20 8.982 3.540 -7.673 1.00 0.57 C ATOM 291 C SER A 20 9.015 3.995 -9.144 1.00 0.55 C ATOM 292 O SER A 20 9.960 3.741 -9.889 1.00 0.67 O ATOM 293 CB SER A 20 10.390 3.124 -7.214 1.00 0.70 C ATOM 294 OG SER A 20 10.492 3.056 -5.806 1.00 1.81 O ATOM 0 H SER A 20 8.428 1.593 -7.152 1.00 0.51 H new ATOM 0 HA SER A 20 8.656 4.394 -7.078 1.00 0.57 H new ATOM 0 HB2 SER A 20 10.638 2.153 -7.642 1.00 0.70 H new ATOM 0 HB3 SER A 20 11.121 3.837 -7.596 1.00 0.70 H new ATOM 0 HG SER A 20 10.406 2.124 -5.516 1.00 1.81 H new ATOM 300 N ALA A 21 7.955 4.696 -9.539 1.00 0.55 N ATOM 301 CA ALA A 21 7.636 5.237 -10.849 1.00 0.66 C ATOM 302 C ALA A 21 6.644 6.405 -10.673 1.00 0.73 C ATOM 303 O ALA A 21 6.283 6.760 -9.551 1.00 1.30 O ATOM 304 CB ALA A 21 7.016 4.101 -11.671 1.00 0.76 C ATOM 0 H ALA A 21 7.219 4.921 -8.870 1.00 0.55 H new ATOM 0 HA ALA A 21 8.520 5.617 -11.361 1.00 0.66 H new ATOM 0 HB1 ALA A 21 6.762 4.468 -12.665 1.00 0.76 H new ATOM 0 HB2 ALA A 21 7.731 3.283 -11.758 1.00 0.76 H new ATOM 0 HB3 ALA A 21 6.114 3.743 -11.175 1.00 0.76 H new ATOM 310 N THR A 22 6.187 7.004 -11.775 1.00 0.68 N ATOM 311 CA THR A 22 5.132 8.027 -11.748 1.00 0.71 C ATOM 312 C THR A 22 3.755 7.394 -11.521 1.00 1.05 C ATOM 313 O THR A 22 3.128 7.653 -10.498 1.00 2.59 O ATOM 314 CB THR A 22 5.163 8.878 -13.030 1.00 0.74 C ATOM 315 OG1 THR A 22 5.133 8.046 -14.170 1.00 0.98 O ATOM 316 CG2 THR A 22 6.434 9.728 -13.088 1.00 1.21 C ATOM 0 H THR A 22 6.535 6.796 -12.711 1.00 0.68 H new ATOM 0 HA THR A 22 5.324 8.693 -10.906 1.00 0.71 H new ATOM 0 HB THR A 22 4.288 9.528 -13.016 1.00 0.74 H new ATOM 0 HG1 THR A 22 4.386 8.309 -14.747 1.00 0.98 H new ATOM 0 HG21 THR A 22 6.434 10.321 -14.003 1.00 1.21 H new ATOM 0 HG22 THR A 22 6.467 10.393 -12.225 1.00 1.21 H new ATOM 0 HG23 THR A 22 7.308 9.077 -13.078 1.00 1.21 H new ATOM 324 N ASP A 23 3.289 6.579 -12.477 1.00 0.67 N ATOM 325 CA ASP A 23 1.898 6.118 -12.617 1.00 0.59 C ATOM 326 C ASP A 23 1.759 4.577 -12.620 1.00 0.54 C ATOM 327 O ASP A 23 0.665 4.062 -12.838 1.00 0.78 O ATOM 328 CB ASP A 23 1.250 6.750 -13.870 1.00 0.76 C ATOM 329 CG ASP A 23 1.823 8.119 -14.240 1.00 1.78 C ATOM 330 OD1 ASP A 23 2.876 8.136 -14.916 1.00 3.00 O ATOM 331 OD2 ASP A 23 1.264 9.140 -13.777 1.00 2.68 O ATOM 0 H ASP A 23 3.896 6.206 -13.206 1.00 0.67 H new ATOM 0 HA ASP A 23 1.360 6.456 -11.731 1.00 0.59 H new ATOM 0 HB2 ASP A 23 1.379 6.073 -14.714 1.00 0.76 H new ATOM 0 HB3 ASP A 23 0.178 6.849 -13.702 1.00 0.76 H new ATOM 336 N SER A 24 2.857 3.839 -12.393 1.00 0.51 N ATOM 337 CA SER A 24 2.926 2.368 -12.507 1.00 0.63 C ATOM 338 C SER A 24 1.995 1.627 -11.539 1.00 0.88 C ATOM 339 O SER A 24 1.347 0.651 -11.927 1.00 2.26 O ATOM 340 CB SER A 24 4.364 1.893 -12.257 1.00 1.21 C ATOM 341 OG SER A 24 4.488 0.510 -12.511 1.00 2.37 O ATOM 0 H SER A 24 3.746 4.257 -12.118 1.00 0.51 H new ATOM 0 HA SER A 24 2.597 2.132 -13.519 1.00 0.63 H new ATOM 0 HB2 SER A 24 5.051 2.447 -12.896 1.00 1.21 H new ATOM 0 HB3 SER A 24 4.647 2.104 -11.226 1.00 1.21 H new ATOM 0 HG SER A 24 5.412 0.229 -12.347 1.00 2.37 H new ATOM 347 N PHE A 25 1.939 2.084 -10.281 1.00 0.89 N ATOM 348 CA PHE A 25 1.261 1.461 -9.142 1.00 0.77 C ATOM 349 C PHE A 25 1.730 0.046 -8.816 1.00 1.44 C ATOM 350 O PHE A 25 2.368 -0.162 -7.789 1.00 3.55 O ATOM 351 CB PHE A 25 -0.268 1.587 -9.331 1.00 0.79 C ATOM 352 CG PHE A 25 -1.127 1.099 -8.181 1.00 1.30 C ATOM 353 CD1 PHE A 25 -0.917 1.614 -6.894 1.00 1.74 C ATOM 354 CD2 PHE A 25 -2.166 0.169 -8.396 1.00 2.59 C ATOM 355 CE1 PHE A 25 -1.709 1.180 -5.820 1.00 2.10 C ATOM 356 CE2 PHE A 25 -2.984 -0.240 -7.325 1.00 3.08 C ATOM 357 CZ PHE A 25 -2.749 0.265 -6.034 1.00 2.43 C ATOM 0 H PHE A 25 2.397 2.956 -10.017 1.00 0.89 H new ATOM 0 HA PHE A 25 1.547 2.010 -8.245 1.00 0.77 H new ATOM 0 HB2 PHE A 25 -0.505 2.635 -9.515 1.00 0.79 H new ATOM 0 HB3 PHE A 25 -0.549 1.034 -10.227 1.00 0.79 H new ATOM 0 HD1 PHE A 25 -0.142 2.348 -6.728 1.00 1.74 H new ATOM 0 HD2 PHE A 25 -2.335 -0.231 -9.385 1.00 2.59 H new ATOM 0 HE1 PHE A 25 -1.516 1.552 -4.825 1.00 2.10 H new ATOM 0 HE2 PHE A 25 -3.789 -0.939 -7.495 1.00 3.08 H new ATOM 0 HZ PHE A 25 -3.369 -0.052 -5.208 1.00 2.43 H new ATOM 367 N ASP A 26 1.416 -0.932 -9.668 1.00 0.62 N ATOM 368 CA ASP A 26 1.863 -2.322 -9.558 1.00 0.88 C ATOM 369 C ASP A 26 1.640 -2.959 -8.161 1.00 0.87 C ATOM 370 O ASP A 26 2.341 -3.893 -7.778 1.00 0.82 O ATOM 371 CB ASP A 26 3.322 -2.423 -10.085 1.00 1.38 C ATOM 372 CG ASP A 26 3.521 -3.424 -11.234 1.00 1.88 C ATOM 373 OD1 ASP A 26 2.597 -4.225 -11.506 1.00 1.97 O ATOM 374 OD2 ASP A 26 4.633 -3.418 -11.811 1.00 3.39 O ATOM 0 H ASP A 26 0.823 -0.772 -10.482 1.00 0.62 H new ATOM 0 HA ASP A 26 1.225 -2.939 -10.191 1.00 0.88 H new ATOM 0 HB2 ASP A 26 3.642 -1.437 -10.421 1.00 1.38 H new ATOM 0 HB3 ASP A 26 3.974 -2.705 -9.258 1.00 1.38 H new ATOM 379 N HIS A 27 0.643 -2.502 -7.383 1.00 1.00 N ATOM 380 CA HIS A 27 0.391 -2.953 -6.003 1.00 1.10 C ATOM 381 C HIS A 27 0.195 -4.466 -5.870 1.00 0.86 C ATOM 382 O HIS A 27 0.669 -5.094 -4.926 1.00 0.72 O ATOM 383 CB HIS A 27 -0.842 -2.240 -5.454 1.00 1.35 C ATOM 384 CG HIS A 27 -1.154 -2.518 -4.002 1.00 3.07 C ATOM 385 ND1 HIS A 27 -2.409 -2.707 -3.477 1.00 3.84 N ATOM 386 CD2 HIS A 27 -0.262 -2.618 -2.968 1.00 5.17 C ATOM 387 CE1 HIS A 27 -2.272 -2.956 -2.164 1.00 5.84 C ATOM 388 NE2 HIS A 27 -0.985 -2.871 -1.807 1.00 6.69 N ATOM 0 H HIS A 27 -0.022 -1.797 -7.701 1.00 1.00 H new ATOM 0 HA HIS A 27 1.284 -2.702 -5.431 1.00 1.10 H new ATOM 0 HB2 HIS A 27 -0.707 -1.166 -5.581 1.00 1.35 H new ATOM 0 HB3 HIS A 27 -1.705 -2.526 -6.055 1.00 1.35 H new ATOM 0 HD2 HIS A 27 0.811 -2.518 -3.041 1.00 5.17 H new ATOM 0 HE1 HIS A 27 -3.084 -3.191 -1.492 1.00 5.84 H new ATOM 0 HE2 HIS A 27 -0.607 -2.972 -0.865 1.00 6.69 H new ATOM 396 N LYS A 28 -0.473 -5.050 -6.868 1.00 0.86 N ATOM 397 CA LYS A 28 -0.662 -6.487 -7.060 1.00 0.78 C ATOM 398 C LYS A 28 0.674 -7.223 -7.194 1.00 0.51 C ATOM 399 O LYS A 28 0.774 -8.379 -6.804 1.00 0.67 O ATOM 400 CB LYS A 28 -1.500 -6.746 -8.321 1.00 0.98 C ATOM 401 CG LYS A 28 -2.773 -5.882 -8.480 1.00 1.71 C ATOM 402 CD LYS A 28 -2.581 -4.642 -9.381 1.00 2.51 C ATOM 403 CE LYS A 28 -2.303 -4.966 -10.858 1.00 2.32 C ATOM 404 NZ LYS A 28 -3.536 -5.294 -11.605 1.00 3.03 N ATOM 0 H LYS A 28 -0.920 -4.502 -7.603 1.00 0.86 H new ATOM 0 HA LYS A 28 -1.180 -6.865 -6.178 1.00 0.78 H new ATOM 0 HB2 LYS A 28 -0.866 -6.587 -9.193 1.00 0.98 H new ATOM 0 HB3 LYS A 28 -1.794 -7.795 -8.328 1.00 0.98 H new ATOM 0 HG2 LYS A 28 -3.570 -6.500 -8.894 1.00 1.71 H new ATOM 0 HG3 LYS A 28 -3.103 -5.555 -7.494 1.00 1.71 H new ATOM 0 HD2 LYS A 28 -3.475 -4.022 -9.320 1.00 2.51 H new ATOM 0 HD3 LYS A 28 -1.754 -4.049 -8.990 1.00 2.51 H new ATOM 0 HE2 LYS A 28 -1.813 -4.114 -11.328 1.00 2.32 H new ATOM 0 HE3 LYS A 28 -1.610 -5.805 -10.919 1.00 2.32 H new ATOM 0 HZ1 LYS A 28 -3.353 -5.222 -12.626 1.00 3.03 H new ATOM 0 HZ2 LYS A 28 -3.834 -6.263 -11.374 1.00 3.03 H new ATOM 0 HZ3 LYS A 28 -4.290 -4.628 -11.341 1.00 3.03 H new ATOM 418 N LYS A 29 1.697 -6.557 -7.743 1.00 0.63 N ATOM 419 CA LYS A 29 3.056 -7.071 -7.864 1.00 0.49 C ATOM 420 C LYS A 29 3.797 -6.849 -6.559 1.00 0.38 C ATOM 421 O LYS A 29 4.333 -7.803 -6.011 1.00 0.40 O ATOM 422 CB LYS A 29 3.766 -6.363 -9.022 1.00 0.67 C ATOM 423 CG LYS A 29 4.482 -7.372 -9.914 1.00 0.78 C ATOM 424 CD LYS A 29 5.319 -6.600 -10.928 1.00 1.49 C ATOM 425 CE LYS A 29 5.628 -7.482 -12.119 1.00 1.67 C ATOM 426 NZ LYS A 29 6.462 -6.742 -13.093 1.00 2.71 N ATOM 0 H LYS A 29 1.593 -5.617 -8.125 1.00 0.63 H new ATOM 0 HA LYS A 29 3.034 -8.141 -8.072 1.00 0.49 H new ATOM 0 HB2 LYS A 29 3.041 -5.801 -9.610 1.00 0.67 H new ATOM 0 HB3 LYS A 29 4.484 -5.644 -8.629 1.00 0.67 H new ATOM 0 HG2 LYS A 29 5.117 -8.025 -9.316 1.00 0.78 H new ATOM 0 HG3 LYS A 29 3.759 -8.009 -10.424 1.00 0.78 H new ATOM 0 HD2 LYS A 29 4.781 -5.709 -11.254 1.00 1.49 H new ATOM 0 HD3 LYS A 29 6.246 -6.261 -10.465 1.00 1.49 H new ATOM 0 HE2 LYS A 29 6.149 -8.381 -11.791 1.00 1.67 H new ATOM 0 HE3 LYS A 29 4.701 -7.806 -12.593 1.00 1.67 H new ATOM 0 HZ1 LYS A 29 6.670 -7.354 -13.908 1.00 2.71 H new ATOM 0 HZ2 LYS A 29 5.950 -5.897 -13.417 1.00 2.71 H new ATOM 0 HZ3 LYS A 29 7.353 -6.455 -12.640 1.00 2.71 H new ATOM 440 N PHE A 30 3.743 -5.620 -6.029 1.00 0.50 N ATOM 441 CA PHE A 30 4.268 -5.248 -4.721 1.00 0.50 C ATOM 442 C PHE A 30 3.887 -6.280 -3.658 1.00 0.42 C ATOM 443 O PHE A 30 4.793 -6.858 -3.080 1.00 0.44 O ATOM 444 CB PHE A 30 3.802 -3.838 -4.345 1.00 0.64 C ATOM 445 CG PHE A 30 4.233 -3.387 -2.961 1.00 0.69 C ATOM 446 CD1 PHE A 30 3.499 -3.782 -1.827 1.00 1.95 C ATOM 447 CD2 PHE A 30 5.363 -2.569 -2.798 1.00 2.13 C ATOM 448 CE1 PHE A 30 3.969 -3.463 -0.544 1.00 2.14 C ATOM 449 CE2 PHE A 30 5.827 -2.235 -1.514 1.00 2.16 C ATOM 450 CZ PHE A 30 5.151 -2.726 -0.388 1.00 1.18 C ATOM 0 H PHE A 30 3.317 -4.835 -6.521 1.00 0.50 H new ATOM 0 HA PHE A 30 5.357 -5.237 -4.772 1.00 0.50 H new ATOM 0 HB2 PHE A 30 4.187 -3.132 -5.081 1.00 0.64 H new ATOM 0 HB3 PHE A 30 2.714 -3.799 -4.405 1.00 0.64 H new ATOM 0 HD1 PHE A 30 2.576 -4.330 -1.944 1.00 1.95 H new ATOM 0 HD2 PHE A 30 5.881 -2.193 -3.668 1.00 2.13 H new ATOM 0 HE1 PHE A 30 3.418 -3.787 0.327 1.00 2.14 H new ATOM 0 HE2 PHE A 30 6.697 -1.606 -1.396 1.00 2.16 H new ATOM 0 HZ PHE A 30 5.542 -2.536 0.601 1.00 1.18 H new ATOM 460 N PHE A 31 2.591 -6.560 -3.436 1.00 0.40 N ATOM 461 CA PHE A 31 2.112 -7.505 -2.412 1.00 0.35 C ATOM 462 C PHE A 31 2.679 -8.922 -2.560 1.00 0.34 C ATOM 463 O PHE A 31 2.890 -9.607 -1.557 1.00 0.40 O ATOM 464 CB PHE A 31 0.584 -7.600 -2.434 1.00 0.37 C ATOM 465 CG PHE A 31 -0.116 -7.140 -1.170 1.00 0.65 C ATOM 466 CD1 PHE A 31 -0.187 -5.775 -0.860 1.00 1.49 C ATOM 467 CD2 PHE A 31 -0.774 -8.071 -0.345 1.00 2.14 C ATOM 468 CE1 PHE A 31 -0.920 -5.337 0.257 1.00 1.50 C ATOM 469 CE2 PHE A 31 -1.500 -7.640 0.779 1.00 2.55 C ATOM 470 CZ PHE A 31 -1.572 -6.268 1.081 1.00 1.54 C ATOM 0 H PHE A 31 1.836 -6.130 -3.970 1.00 0.40 H new ATOM 0 HA PHE A 31 2.468 -7.100 -1.465 1.00 0.35 H new ATOM 0 HB2 PHE A 31 0.212 -7.008 -3.270 1.00 0.37 H new ATOM 0 HB3 PHE A 31 0.304 -8.636 -2.627 1.00 0.37 H new ATOM 0 HD1 PHE A 31 0.324 -5.056 -1.483 1.00 1.49 H new ATOM 0 HD2 PHE A 31 -0.721 -9.124 -0.577 1.00 2.14 H new ATOM 0 HE1 PHE A 31 -0.982 -4.282 0.482 1.00 1.50 H new ATOM 0 HE2 PHE A 31 -2.001 -8.360 1.409 1.00 2.55 H new ATOM 0 HZ PHE A 31 -2.127 -5.932 1.944 1.00 1.54 H new ATOM 480 N GLN A 32 2.918 -9.352 -3.802 1.00 0.32 N ATOM 481 CA GLN A 32 3.515 -10.637 -4.136 1.00 0.30 C ATOM 482 C GLN A 32 5.030 -10.587 -3.855 1.00 0.30 C ATOM 483 O GLN A 32 5.545 -11.424 -3.117 1.00 0.33 O ATOM 484 CB GLN A 32 3.179 -10.981 -5.606 1.00 0.34 C ATOM 485 CG GLN A 32 1.861 -11.756 -5.824 1.00 0.52 C ATOM 486 CD GLN A 32 0.553 -11.025 -5.484 1.00 2.08 C ATOM 487 OE1 GLN A 32 0.350 -10.520 -4.393 1.00 4.23 O ATOM 488 NE2 GLN A 32 -0.451 -11.066 -6.351 1.00 1.76 N ATOM 0 H GLN A 32 2.692 -8.794 -4.625 1.00 0.32 H new ATOM 0 HA GLN A 32 3.106 -11.435 -3.516 1.00 0.30 H new ATOM 0 HB2 GLN A 32 3.133 -10.053 -6.176 1.00 0.34 H new ATOM 0 HB3 GLN A 32 3.998 -11.569 -6.019 1.00 0.34 H new ATOM 0 HG2 GLN A 32 1.816 -12.060 -6.870 1.00 0.52 H new ATOM 0 HG3 GLN A 32 1.903 -12.668 -5.229 1.00 0.52 H new ATOM 0 HE21 GLN A 32 -0.313 -11.482 -7.272 1.00 1.76 H new ATOM 0 HE22 GLN A 32 -1.361 -10.681 -6.096 1.00 1.76 H new ATOM 497 N MET A 33 5.726 -9.576 -4.387 1.00 0.33 N ATOM 498 CA MET A 33 7.176 -9.338 -4.260 1.00 0.36 C ATOM 499 C MET A 33 7.626 -9.093 -2.808 1.00 0.38 C ATOM 500 O MET A 33 8.671 -9.591 -2.400 1.00 0.43 O ATOM 501 CB MET A 33 7.579 -8.139 -5.141 1.00 0.41 C ATOM 502 CG MET A 33 7.415 -8.427 -6.641 1.00 0.57 C ATOM 503 SD MET A 33 7.486 -6.959 -7.709 1.00 1.80 S ATOM 504 CE MET A 33 9.271 -6.820 -7.980 1.00 1.82 C ATOM 0 H MET A 33 5.270 -8.859 -4.951 1.00 0.33 H new ATOM 0 HA MET A 33 7.679 -10.246 -4.594 1.00 0.36 H new ATOM 0 HB2 MET A 33 6.972 -7.275 -4.872 1.00 0.41 H new ATOM 0 HB3 MET A 33 8.617 -7.875 -4.937 1.00 0.41 H new ATOM 0 HG2 MET A 33 8.195 -9.123 -6.951 1.00 0.57 H new ATOM 0 HG3 MET A 33 6.460 -8.928 -6.798 1.00 0.57 H new ATOM 0 HE1 MET A 33 9.476 -5.962 -8.620 1.00 1.82 H new ATOM 0 HE2 MET A 33 9.775 -6.688 -7.023 1.00 1.82 H new ATOM 0 HE3 MET A 33 9.638 -7.727 -8.461 1.00 1.82 H new ATOM 514 N VAL A 34 6.835 -8.346 -2.029 1.00 0.37 N ATOM 515 CA VAL A 34 7.026 -8.085 -0.595 1.00 0.38 C ATOM 516 C VAL A 34 6.601 -9.275 0.289 1.00 0.38 C ATOM 517 O VAL A 34 6.876 -9.285 1.488 1.00 0.47 O ATOM 518 CB VAL A 34 6.223 -6.833 -0.185 1.00 0.40 C ATOM 519 CG1 VAL A 34 4.748 -7.137 -0.026 1.00 0.45 C ATOM 520 CG2 VAL A 34 6.714 -6.185 1.108 1.00 0.41 C ATOM 0 H VAL A 34 6.004 -7.884 -2.398 1.00 0.37 H new ATOM 0 HA VAL A 34 8.093 -7.926 -0.438 1.00 0.38 H new ATOM 0 HB VAL A 34 6.381 -6.131 -1.004 1.00 0.40 H new ATOM 0 HG11 VAL A 34 4.219 -6.229 0.263 1.00 0.45 H new ATOM 0 HG12 VAL A 34 4.348 -7.505 -0.971 1.00 0.45 H new ATOM 0 HG13 VAL A 34 4.614 -7.896 0.745 1.00 0.45 H new ATOM 0 HG21 VAL A 34 6.102 -5.311 1.332 1.00 0.41 H new ATOM 0 HG22 VAL A 34 6.637 -6.901 1.926 1.00 0.41 H new ATOM 0 HG23 VAL A 34 7.753 -5.879 0.990 1.00 0.41 H new ATOM 530 N GLY A 35 5.861 -10.241 -0.270 1.00 0.36 N ATOM 531 CA GLY A 35 5.311 -11.369 0.472 1.00 0.42 C ATOM 532 C GLY A 35 4.151 -11.041 1.422 1.00 0.41 C ATOM 533 O GLY A 35 3.943 -11.784 2.375 1.00 0.57 O ATOM 0 H GLY A 35 5.628 -10.256 -1.263 1.00 0.36 H new ATOM 0 HA2 GLY A 35 4.970 -12.118 -0.243 1.00 0.42 H new ATOM 0 HA3 GLY A 35 6.114 -11.824 1.052 1.00 0.42 H new ATOM 537 N LEU A 36 3.373 -9.975 1.200 1.00 0.32 N ATOM 538 CA LEU A 36 2.310 -9.543 2.121 1.00 0.35 C ATOM 539 C LEU A 36 1.166 -10.549 2.164 1.00 0.34 C ATOM 540 O LEU A 36 0.801 -11.059 3.215 1.00 0.38 O ATOM 541 CB LEU A 36 1.780 -8.159 1.718 1.00 0.44 C ATOM 542 CG LEU A 36 2.461 -6.999 2.441 1.00 0.65 C ATOM 543 CD1 LEU A 36 2.048 -5.652 1.856 1.00 0.59 C ATOM 544 CD2 LEU A 36 2.086 -6.997 3.905 1.00 1.12 C ATOM 0 H LEU A 36 3.462 -9.384 0.373 1.00 0.32 H new ATOM 0 HA LEU A 36 2.743 -9.482 3.119 1.00 0.35 H new ATOM 0 HB2 LEU A 36 1.910 -8.030 0.643 1.00 0.44 H new ATOM 0 HB3 LEU A 36 0.709 -8.119 1.917 1.00 0.44 H new ATOM 0 HG LEU A 36 3.535 -7.138 2.317 1.00 0.65 H new ATOM 0 HD11 LEU A 36 2.553 -4.851 2.396 1.00 0.59 H new ATOM 0 HD12 LEU A 36 2.327 -5.612 0.803 1.00 0.59 H new ATOM 0 HD13 LEU A 36 0.969 -5.530 1.950 1.00 0.59 H new ATOM 0 HD21 LEU A 36 2.580 -6.164 4.406 1.00 1.12 H new ATOM 0 HD22 LEU A 36 1.006 -6.891 4.004 1.00 1.12 H new ATOM 0 HD23 LEU A 36 2.402 -7.934 4.363 1.00 1.12 H new ATOM 556 N LYS A 37 0.666 -10.891 0.982 1.00 0.34 N ATOM 557 CA LYS A 37 -0.234 -12.032 0.737 1.00 0.38 C ATOM 558 C LYS A 37 0.328 -13.394 1.204 1.00 0.36 C ATOM 559 O LYS A 37 -0.445 -14.332 1.365 1.00 0.40 O ATOM 560 CB LYS A 37 -0.590 -12.114 -0.760 1.00 0.53 C ATOM 561 CG LYS A 37 -2.092 -11.895 -1.013 1.00 0.77 C ATOM 562 CD LYS A 37 -2.564 -12.639 -2.267 1.00 0.90 C ATOM 563 CE LYS A 37 -1.823 -12.126 -3.500 1.00 0.69 C ATOM 564 NZ LYS A 37 -2.087 -12.934 -4.710 1.00 0.93 N ATOM 0 H LYS A 37 0.879 -10.368 0.132 1.00 0.34 H new ATOM 0 HA LYS A 37 -1.123 -11.840 1.338 1.00 0.38 H new ATOM 0 HB2 LYS A 37 -0.018 -11.366 -1.309 1.00 0.53 H new ATOM 0 HB3 LYS A 37 -0.296 -13.089 -1.149 1.00 0.53 H new ATOM 0 HG2 LYS A 37 -2.661 -12.238 -0.149 1.00 0.77 H new ATOM 0 HG3 LYS A 37 -2.292 -10.829 -1.124 1.00 0.77 H new ATOM 0 HD2 LYS A 37 -2.391 -13.709 -2.150 1.00 0.90 H new ATOM 0 HD3 LYS A 37 -3.638 -12.502 -2.397 1.00 0.90 H new ATOM 0 HE2 LYS A 37 -2.115 -11.093 -3.689 1.00 0.69 H new ATOM 0 HE3 LYS A 37 -0.752 -12.123 -3.298 1.00 0.69 H new ATOM 0 HZ1 LYS A 37 -1.205 -13.385 -5.025 1.00 0.93 H new ATOM 0 HZ2 LYS A 37 -2.792 -13.667 -4.491 1.00 0.93 H new ATOM 0 HZ3 LYS A 37 -2.451 -12.319 -5.466 1.00 0.93 H new ATOM 578 N LYS A 38 1.651 -13.514 1.412 1.00 0.36 N ATOM 579 CA LYS A 38 2.332 -14.680 2.015 1.00 0.40 C ATOM 580 C LYS A 38 2.363 -14.595 3.557 1.00 0.35 C ATOM 581 O LYS A 38 2.754 -15.555 4.219 1.00 0.49 O ATOM 582 CB LYS A 38 3.726 -14.872 1.347 1.00 0.51 C ATOM 583 CG LYS A 38 4.976 -14.848 2.257 1.00 1.28 C ATOM 584 CD LYS A 38 6.293 -14.749 1.463 1.00 1.33 C ATOM 585 CE LYS A 38 7.464 -14.455 2.413 1.00 1.90 C ATOM 586 NZ LYS A 38 8.711 -14.075 1.699 1.00 2.73 N ATOM 0 H LYS A 38 2.304 -12.773 1.155 1.00 0.36 H new ATOM 0 HA LYS A 38 1.761 -15.586 1.812 1.00 0.40 H new ATOM 0 HB2 LYS A 38 3.715 -15.826 0.820 1.00 0.51 H new ATOM 0 HB3 LYS A 38 3.846 -14.093 0.594 1.00 0.51 H new ATOM 0 HG2 LYS A 38 4.905 -14.002 2.941 1.00 1.28 H new ATOM 0 HG3 LYS A 38 4.992 -15.751 2.867 1.00 1.28 H new ATOM 0 HD2 LYS A 38 6.474 -15.681 0.928 1.00 1.33 H new ATOM 0 HD3 LYS A 38 6.216 -13.961 0.714 1.00 1.33 H new ATOM 0 HE2 LYS A 38 7.181 -13.650 3.091 1.00 1.90 H new ATOM 0 HE3 LYS A 38 7.657 -15.335 3.026 1.00 1.90 H new ATOM 0 HZ1 LYS A 38 9.526 -14.531 2.157 1.00 2.73 H new ATOM 0 HZ2 LYS A 38 8.652 -14.385 0.708 1.00 2.73 H new ATOM 0 HZ3 LYS A 38 8.829 -13.042 1.732 1.00 2.73 H new ATOM 600 N LYS A 39 1.943 -13.459 4.126 1.00 0.42 N ATOM 601 CA LYS A 39 1.879 -13.156 5.554 1.00 0.43 C ATOM 602 C LYS A 39 0.451 -13.318 6.097 1.00 0.41 C ATOM 603 O LYS A 39 -0.513 -13.450 5.344 1.00 0.45 O ATOM 604 CB LYS A 39 2.428 -11.724 5.756 1.00 0.48 C ATOM 605 CG LYS A 39 3.465 -11.657 6.876 1.00 1.39 C ATOM 606 CD LYS A 39 4.756 -12.415 6.535 1.00 0.93 C ATOM 607 CE LYS A 39 5.219 -13.190 7.768 1.00 2.01 C ATOM 608 NZ LYS A 39 6.488 -13.901 7.507 1.00 1.97 N ATOM 0 H LYS A 39 1.617 -12.676 3.559 1.00 0.42 H new ATOM 0 HA LYS A 39 2.489 -13.860 6.121 1.00 0.43 H new ATOM 0 HB2 LYS A 39 2.877 -11.374 4.826 1.00 0.48 H new ATOM 0 HB3 LYS A 39 1.603 -11.049 5.986 1.00 0.48 H new ATOM 0 HG2 LYS A 39 3.705 -10.614 7.082 1.00 1.39 H new ATOM 0 HG3 LYS A 39 3.036 -12.071 7.788 1.00 1.39 H new ATOM 0 HD2 LYS A 39 4.583 -13.099 5.704 1.00 0.93 H new ATOM 0 HD3 LYS A 39 5.530 -11.716 6.217 1.00 0.93 H new ATOM 0 HE2 LYS A 39 5.349 -12.503 8.605 1.00 2.01 H new ATOM 0 HE3 LYS A 39 4.451 -13.906 8.060 1.00 2.01 H new ATOM 0 HZ1 LYS A 39 6.778 -14.418 8.361 1.00 1.97 H new ATOM 0 HZ2 LYS A 39 6.355 -14.572 6.724 1.00 1.97 H new ATOM 0 HZ3 LYS A 39 7.225 -13.213 7.252 1.00 1.97 H new ATOM 622 N SER A 40 0.327 -13.346 7.425 1.00 0.39 N ATOM 623 CA SER A 40 -0.934 -13.621 8.123 1.00 0.39 C ATOM 624 C SER A 40 -1.936 -12.462 8.012 1.00 0.42 C ATOM 625 O SER A 40 -1.555 -11.310 7.809 1.00 0.42 O ATOM 626 CB SER A 40 -0.639 -13.907 9.602 1.00 0.41 C ATOM 627 OG SER A 40 0.341 -14.920 9.721 1.00 1.68 O ATOM 0 H SER A 40 1.110 -13.176 8.057 1.00 0.39 H new ATOM 0 HA SER A 40 -1.392 -14.488 7.646 1.00 0.39 H new ATOM 0 HB2 SER A 40 -0.293 -12.998 10.093 1.00 0.41 H new ATOM 0 HB3 SER A 40 -1.553 -14.215 10.109 1.00 0.41 H new ATOM 0 HG SER A 40 0.521 -15.091 10.669 1.00 1.68 H new ATOM 633 N ALA A 41 -3.224 -12.743 8.251 1.00 0.48 N ATOM 634 CA ALA A 41 -4.276 -11.723 8.314 1.00 0.51 C ATOM 635 C ALA A 41 -3.963 -10.634 9.355 1.00 0.48 C ATOM 636 O ALA A 41 -4.019 -9.440 9.062 1.00 0.42 O ATOM 637 CB ALA A 41 -5.606 -12.411 8.636 1.00 0.62 C ATOM 0 H ALA A 41 -3.566 -13.691 8.407 1.00 0.48 H new ATOM 0 HA ALA A 41 -4.336 -11.223 7.348 1.00 0.51 H new ATOM 0 HB1 ALA A 41 -6.399 -11.665 8.686 1.00 0.62 H new ATOM 0 HB2 ALA A 41 -5.839 -13.136 7.856 1.00 0.62 H new ATOM 0 HB3 ALA A 41 -5.528 -12.923 9.595 1.00 0.62 H new ATOM 643 N ASP A 42 -3.588 -11.053 10.567 1.00 0.59 N ATOM 644 CA ASP A 42 -3.206 -10.174 11.671 1.00 0.62 C ATOM 645 C ASP A 42 -1.932 -9.361 11.381 1.00 0.53 C ATOM 646 O ASP A 42 -1.760 -8.252 11.895 1.00 0.60 O ATOM 647 CB ASP A 42 -3.023 -11.030 12.929 1.00 0.77 C ATOM 648 CG ASP A 42 -4.291 -11.839 13.196 1.00 1.87 C ATOM 649 OD1 ASP A 42 -4.408 -12.908 12.551 1.00 3.05 O ATOM 650 OD2 ASP A 42 -5.144 -11.337 13.962 1.00 2.96 O ATOM 0 H ASP A 42 -3.541 -12.042 10.812 1.00 0.59 H new ATOM 0 HA ASP A 42 -4.001 -9.442 11.813 1.00 0.62 H new ATOM 0 HB2 ASP A 42 -2.173 -11.701 12.803 1.00 0.77 H new ATOM 0 HB3 ASP A 42 -2.801 -10.392 13.785 1.00 0.77 H new ATOM 655 N ASP A 43 -1.066 -9.890 10.507 1.00 0.48 N ATOM 656 CA ASP A 43 0.064 -9.166 9.942 1.00 0.42 C ATOM 657 C ASP A 43 -0.454 -8.078 8.995 1.00 0.37 C ATOM 658 O ASP A 43 -0.219 -6.903 9.252 1.00 0.41 O ATOM 659 CB ASP A 43 1.032 -10.141 9.258 1.00 0.45 C ATOM 660 CG ASP A 43 2.450 -9.585 9.244 1.00 0.83 C ATOM 661 OD1 ASP A 43 2.628 -8.474 8.698 1.00 1.97 O ATOM 662 OD2 ASP A 43 3.334 -10.290 9.775 1.00 1.79 O ATOM 0 H ASP A 43 -1.138 -10.850 10.171 1.00 0.48 H new ATOM 0 HA ASP A 43 0.629 -8.672 10.732 1.00 0.42 H new ATOM 0 HB2 ASP A 43 1.018 -11.098 9.780 1.00 0.45 H new ATOM 0 HB3 ASP A 43 0.702 -10.330 8.237 1.00 0.45 H new ATOM 667 N VAL A 44 -1.255 -8.437 7.979 1.00 0.34 N ATOM 668 CA VAL A 44 -1.957 -7.505 7.081 1.00 0.37 C ATOM 669 C VAL A 44 -2.706 -6.381 7.839 1.00 0.37 C ATOM 670 O VAL A 44 -2.648 -5.224 7.415 1.00 0.39 O ATOM 671 CB VAL A 44 -2.815 -8.311 6.070 1.00 0.41 C ATOM 672 CG1 VAL A 44 -4.238 -7.803 5.846 1.00 0.79 C ATOM 673 CG2 VAL A 44 -2.119 -8.361 4.698 1.00 0.73 C ATOM 0 H VAL A 44 -1.438 -9.415 7.753 1.00 0.34 H new ATOM 0 HA VAL A 44 -1.226 -6.947 6.496 1.00 0.37 H new ATOM 0 HB VAL A 44 -2.903 -9.294 6.533 1.00 0.41 H new ATOM 0 HG11 VAL A 44 -4.743 -8.442 5.121 1.00 0.79 H new ATOM 0 HG12 VAL A 44 -4.784 -7.822 6.789 1.00 0.79 H new ATOM 0 HG13 VAL A 44 -4.204 -6.781 5.467 1.00 0.79 H new ATOM 0 HG21 VAL A 44 -2.733 -8.930 3.999 1.00 0.73 H new ATOM 0 HG22 VAL A 44 -1.985 -7.347 4.321 1.00 0.73 H new ATOM 0 HG23 VAL A 44 -1.146 -8.842 4.801 1.00 0.73 H new ATOM 683 N LYS A 45 -3.311 -6.673 9.004 1.00 0.39 N ATOM 684 CA LYS A 45 -3.800 -5.679 9.987 1.00 0.42 C ATOM 685 C LYS A 45 -2.722 -4.669 10.396 1.00 0.43 C ATOM 686 O LYS A 45 -2.890 -3.463 10.187 1.00 0.55 O ATOM 687 CB LYS A 45 -4.439 -6.379 11.200 1.00 0.48 C ATOM 688 CG LYS A 45 -5.970 -6.398 11.086 1.00 1.34 C ATOM 689 CD LYS A 45 -6.603 -7.042 12.326 1.00 1.67 C ATOM 690 CE LYS A 45 -8.131 -6.974 12.233 1.00 2.03 C ATOM 691 NZ LYS A 45 -8.769 -7.522 13.453 1.00 2.79 N ATOM 0 H LYS A 45 -3.480 -7.634 9.300 1.00 0.39 H new ATOM 0 HA LYS A 45 -4.577 -5.093 9.496 1.00 0.42 H new ATOM 0 HB2 LYS A 45 -4.064 -7.400 11.273 1.00 0.48 H new ATOM 0 HB3 LYS A 45 -4.146 -5.865 12.116 1.00 0.48 H new ATOM 0 HG2 LYS A 45 -6.343 -5.380 10.969 1.00 1.34 H new ATOM 0 HG3 LYS A 45 -6.265 -6.950 10.194 1.00 1.34 H new ATOM 0 HD2 LYS A 45 -6.282 -8.080 12.410 1.00 1.67 H new ATOM 0 HD3 LYS A 45 -6.263 -6.529 13.226 1.00 1.67 H new ATOM 0 HE2 LYS A 45 -8.443 -5.939 12.090 1.00 2.03 H new ATOM 0 HE3 LYS A 45 -8.470 -7.533 11.360 1.00 2.03 H new ATOM 0 HZ1 LYS A 45 -9.803 -7.462 13.361 1.00 2.79 H new ATOM 0 HZ2 LYS A 45 -8.489 -8.516 13.575 1.00 2.79 H new ATOM 0 HZ3 LYS A 45 -8.463 -6.972 14.281 1.00 2.79 H new ATOM 705 N LYS A 46 -1.609 -5.147 10.965 1.00 0.48 N ATOM 706 CA LYS A 46 -0.444 -4.319 11.307 1.00 0.47 C ATOM 707 C LYS A 46 0.227 -3.653 10.095 1.00 0.47 C ATOM 708 O LYS A 46 0.882 -2.626 10.285 1.00 0.57 O ATOM 709 CB LYS A 46 0.569 -5.152 12.115 1.00 0.56 C ATOM 710 CG LYS A 46 0.297 -5.003 13.618 1.00 0.97 C ATOM 711 CD LYS A 46 1.353 -5.717 14.474 1.00 2.15 C ATOM 712 CE LYS A 46 1.214 -5.361 15.961 1.00 2.77 C ATOM 713 NZ LYS A 46 -0.043 -5.880 16.552 1.00 3.05 N ATOM 0 H LYS A 46 -1.490 -6.131 11.204 1.00 0.48 H new ATOM 0 HA LYS A 46 -0.814 -3.495 11.917 1.00 0.47 H new ATOM 0 HB2 LYS A 46 0.500 -6.201 11.828 1.00 0.56 H new ATOM 0 HB3 LYS A 46 1.584 -4.825 11.887 1.00 0.56 H new ATOM 0 HG2 LYS A 46 0.276 -3.945 13.878 1.00 0.97 H new ATOM 0 HG3 LYS A 46 -0.689 -5.407 13.849 1.00 0.97 H new ATOM 0 HD2 LYS A 46 1.256 -6.795 14.347 1.00 2.15 H new ATOM 0 HD3 LYS A 46 2.349 -5.444 14.126 1.00 2.15 H new ATOM 0 HE2 LYS A 46 2.064 -5.766 16.510 1.00 2.77 H new ATOM 0 HE3 LYS A 46 1.246 -4.278 16.077 1.00 2.77 H new ATOM 0 HZ1 LYS A 46 -0.090 -5.614 17.556 1.00 3.05 H new ATOM 0 HZ2 LYS A 46 -0.857 -5.474 16.048 1.00 3.05 H new ATOM 0 HZ3 LYS A 46 -0.065 -6.916 16.467 1.00 3.05 H new ATOM 727 N VAL A 47 0.084 -4.202 8.887 1.00 0.43 N ATOM 728 CA VAL A 47 0.552 -3.614 7.624 1.00 0.42 C ATOM 729 C VAL A 47 -0.250 -2.360 7.314 1.00 0.40 C ATOM 730 O VAL A 47 0.332 -1.282 7.346 1.00 0.44 O ATOM 731 CB VAL A 47 0.518 -4.633 6.472 1.00 0.42 C ATOM 732 CG1 VAL A 47 0.840 -4.011 5.106 1.00 0.46 C ATOM 733 CG2 VAL A 47 1.498 -5.779 6.759 1.00 0.50 C ATOM 0 H VAL A 47 -0.378 -5.102 8.753 1.00 0.43 H new ATOM 0 HA VAL A 47 1.598 -3.328 7.736 1.00 0.42 H new ATOM 0 HB VAL A 47 -0.503 -5.010 6.418 1.00 0.42 H new ATOM 0 HG11 VAL A 47 0.799 -4.782 4.337 1.00 0.46 H new ATOM 0 HG12 VAL A 47 0.111 -3.233 4.879 1.00 0.46 H new ATOM 0 HG13 VAL A 47 1.839 -3.575 5.131 1.00 0.46 H new ATOM 0 HG21 VAL A 47 1.469 -6.497 5.939 1.00 0.50 H new ATOM 0 HG22 VAL A 47 2.507 -5.379 6.855 1.00 0.50 H new ATOM 0 HG23 VAL A 47 1.215 -6.276 7.687 1.00 0.50 H new ATOM 743 N PHE A 48 -1.566 -2.458 7.070 1.00 0.37 N ATOM 744 CA PHE A 48 -2.435 -1.308 6.841 1.00 0.35 C ATOM 745 C PHE A 48 -2.266 -0.181 7.876 1.00 0.34 C ATOM 746 O PHE A 48 -2.161 0.984 7.491 1.00 0.32 O ATOM 747 CB PHE A 48 -3.866 -1.825 6.786 1.00 0.42 C ATOM 748 CG PHE A 48 -4.886 -0.719 6.705 1.00 0.41 C ATOM 749 CD1 PHE A 48 -5.069 -0.023 5.498 1.00 1.76 C ATOM 750 CD2 PHE A 48 -5.627 -0.372 7.850 1.00 1.60 C ATOM 751 CE1 PHE A 48 -5.999 1.022 5.444 1.00 1.85 C ATOM 752 CE2 PHE A 48 -6.570 0.663 7.784 1.00 1.58 C ATOM 753 CZ PHE A 48 -6.752 1.354 6.579 1.00 0.67 C ATOM 0 H PHE A 48 -2.056 -3.351 7.027 1.00 0.37 H new ATOM 0 HA PHE A 48 -2.156 -0.838 5.898 1.00 0.35 H new ATOM 0 HB2 PHE A 48 -3.978 -2.479 5.921 1.00 0.42 H new ATOM 0 HB3 PHE A 48 -4.063 -2.430 7.671 1.00 0.42 H new ATOM 0 HD1 PHE A 48 -4.498 -0.291 4.621 1.00 1.76 H new ATOM 0 HD2 PHE A 48 -5.469 -0.902 8.778 1.00 1.60 H new ATOM 0 HE1 PHE A 48 -6.137 1.574 4.526 1.00 1.85 H new ATOM 0 HE2 PHE A 48 -7.152 0.926 8.655 1.00 1.58 H new ATOM 0 HZ PHE A 48 -7.480 2.150 6.524 1.00 0.67 H new ATOM 763 N HIS A 49 -2.144 -0.524 9.167 1.00 0.38 N ATOM 764 CA HIS A 49 -1.828 0.430 10.241 1.00 0.37 C ATOM 765 C HIS A 49 -0.525 1.227 10.026 1.00 0.37 C ATOM 766 O HIS A 49 -0.356 2.275 10.640 1.00 0.58 O ATOM 767 CB HIS A 49 -1.761 -0.320 11.583 1.00 0.45 C ATOM 768 CG HIS A 49 -3.079 -0.399 12.312 1.00 1.40 C ATOM 769 ND1 HIS A 49 -3.310 0.027 13.601 1.00 2.02 N ATOM 770 CD2 HIS A 49 -4.259 -0.894 11.822 1.00 2.89 C ATOM 771 CE1 HIS A 49 -4.607 -0.196 13.876 1.00 2.95 C ATOM 772 NE2 HIS A 49 -5.221 -0.760 12.827 1.00 3.60 N ATOM 0 H HIS A 49 -2.263 -1.481 9.498 1.00 0.38 H new ATOM 0 HA HIS A 49 -2.630 1.168 10.238 1.00 0.37 H new ATOM 0 HB2 HIS A 49 -1.396 -1.331 11.404 1.00 0.45 H new ATOM 0 HB3 HIS A 49 -1.032 0.173 12.226 1.00 0.45 H new ATOM 0 HD2 HIS A 49 -4.417 -1.312 10.839 1.00 2.89 H new ATOM 0 HE1 HIS A 49 -5.087 0.046 14.813 1.00 2.95 H new ATOM 0 HE2 HIS A 49 -6.201 -1.038 12.772 1.00 3.60 H new ATOM 780 N MET A 50 0.406 0.755 9.191 1.00 0.30 N ATOM 781 CA MET A 50 1.643 1.457 8.846 1.00 0.38 C ATOM 782 C MET A 50 1.444 2.466 7.699 1.00 0.40 C ATOM 783 O MET A 50 2.100 3.505 7.686 1.00 0.47 O ATOM 784 CB MET A 50 2.708 0.405 8.488 1.00 0.48 C ATOM 785 CG MET A 50 4.127 0.918 8.727 1.00 0.64 C ATOM 786 SD MET A 50 4.600 1.130 10.462 1.00 1.19 S ATOM 787 CE MET A 50 6.163 2.010 10.213 1.00 1.52 C ATOM 0 H MET A 50 0.317 -0.148 8.726 1.00 0.30 H new ATOM 0 HA MET A 50 1.970 2.045 9.704 1.00 0.38 H new ATOM 0 HB2 MET A 50 2.543 -0.494 9.082 1.00 0.48 H new ATOM 0 HB3 MET A 50 2.598 0.120 7.442 1.00 0.48 H new ATOM 0 HG2 MET A 50 4.828 0.226 8.260 1.00 0.64 H new ATOM 0 HG3 MET A 50 4.238 1.876 8.219 1.00 0.64 H new ATOM 0 HE1 MET A 50 6.613 2.232 11.180 1.00 1.52 H new ATOM 0 HE2 MET A 50 6.842 1.387 9.631 1.00 1.52 H new ATOM 0 HE3 MET A 50 5.975 2.941 9.678 1.00 1.52 H new ATOM 797 N LEU A 51 0.544 2.170 6.749 1.00 0.41 N ATOM 798 CA LEU A 51 0.138 3.049 5.649 1.00 0.44 C ATOM 799 C LEU A 51 -0.815 4.150 6.125 1.00 0.47 C ATOM 800 O LEU A 51 -0.610 5.309 5.768 1.00 0.49 O ATOM 801 CB LEU A 51 -0.563 2.201 4.582 1.00 0.50 C ATOM 802 CG LEU A 51 0.263 1.158 3.804 1.00 0.66 C ATOM 803 CD1 LEU A 51 1.784 1.242 3.960 1.00 2.23 C ATOM 804 CD2 LEU A 51 -0.189 -0.263 4.114 1.00 1.89 C ATOM 0 H LEU A 51 0.060 1.272 6.728 1.00 0.41 H new ATOM 0 HA LEU A 51 1.028 3.531 5.244 1.00 0.44 H new ATOM 0 HB2 LEU A 51 -1.387 1.676 5.066 1.00 0.50 H new ATOM 0 HB3 LEU A 51 -1.003 2.883 3.855 1.00 0.50 H new ATOM 0 HG LEU A 51 0.057 1.416 2.765 1.00 0.66 H new ATOM 0 HD11 LEU A 51 2.254 0.458 3.366 1.00 2.23 H new ATOM 0 HD12 LEU A 51 2.132 2.216 3.616 1.00 2.23 H new ATOM 0 HD13 LEU A 51 2.050 1.112 5.009 1.00 2.23 H new ATOM 0 HD21 LEU A 51 0.417 -0.969 3.547 1.00 1.89 H new ATOM 0 HD22 LEU A 51 -0.071 -0.458 5.180 1.00 1.89 H new ATOM 0 HD23 LEU A 51 -1.237 -0.380 3.838 1.00 1.89 H new ATOM 816 N ASP A 52 -1.828 3.814 6.940 1.00 0.53 N ATOM 817 CA ASP A 52 -2.659 4.785 7.662 1.00 0.52 C ATOM 818 C ASP A 52 -1.831 5.477 8.759 1.00 0.62 C ATOM 819 O ASP A 52 -2.002 5.250 9.960 1.00 0.89 O ATOM 820 CB ASP A 52 -3.934 4.111 8.197 1.00 0.68 C ATOM 821 CG ASP A 52 -4.781 5.000 9.123 1.00 0.76 C ATOM 822 OD1 ASP A 52 -4.835 6.245 8.960 1.00 1.48 O ATOM 823 OD2 ASP A 52 -5.395 4.417 10.040 1.00 1.88 O ATOM 0 H ASP A 52 -2.095 2.846 7.117 1.00 0.53 H new ATOM 0 HA ASP A 52 -2.990 5.566 6.978 1.00 0.52 H new ATOM 0 HB2 ASP A 52 -4.548 3.799 7.352 1.00 0.68 H new ATOM 0 HB3 ASP A 52 -3.653 3.207 8.738 1.00 0.68 H new ATOM 828 N LYS A 53 -0.924 6.360 8.326 1.00 0.70 N ATOM 829 CA LYS A 53 -0.099 7.218 9.188 1.00 0.80 C ATOM 830 C LYS A 53 -0.906 8.074 10.168 1.00 0.91 C ATOM 831 O LYS A 53 -0.384 8.435 11.219 1.00 1.51 O ATOM 832 CB LYS A 53 0.852 8.097 8.373 1.00 0.89 C ATOM 833 CG LYS A 53 0.135 8.809 7.225 1.00 1.80 C ATOM 834 CD LYS A 53 0.470 10.295 7.087 1.00 3.16 C ATOM 835 CE LYS A 53 1.965 10.559 6.909 1.00 2.98 C ATOM 836 NZ LYS A 53 2.242 12.011 7.016 1.00 4.51 N ATOM 0 H LYS A 53 -0.737 6.503 7.333 1.00 0.70 H new ATOM 0 HA LYS A 53 0.489 6.526 9.791 1.00 0.80 H new ATOM 0 HB2 LYS A 53 1.311 8.837 9.028 1.00 0.89 H new ATOM 0 HB3 LYS A 53 1.658 7.483 7.971 1.00 0.89 H new ATOM 0 HG2 LYS A 53 0.385 8.306 6.291 1.00 1.80 H new ATOM 0 HG3 LYS A 53 -0.941 8.704 7.366 1.00 1.80 H new ATOM 0 HD2 LYS A 53 -0.069 10.705 6.233 1.00 3.16 H new ATOM 0 HD3 LYS A 53 0.116 10.825 7.972 1.00 3.16 H new ATOM 0 HE2 LYS A 53 2.531 10.016 7.666 1.00 2.98 H new ATOM 0 HE3 LYS A 53 2.295 10.189 5.938 1.00 2.98 H new ATOM 0 HZ1 LYS A 53 3.261 12.180 6.894 1.00 4.51 H new ATOM 0 HZ2 LYS A 53 1.715 12.520 6.278 1.00 4.51 H new ATOM 0 HZ3 LYS A 53 1.944 12.353 7.952 1.00 4.51 H new ATOM 850 N ASP A 54 -2.164 8.377 9.840 1.00 0.76 N ATOM 851 CA ASP A 54 -3.069 9.128 10.710 1.00 0.84 C ATOM 852 C ASP A 54 -3.628 8.267 11.852 1.00 0.84 C ATOM 853 O ASP A 54 -4.179 8.813 12.807 1.00 1.06 O ATOM 854 CB ASP A 54 -4.270 9.656 9.913 1.00 1.04 C ATOM 855 CG ASP A 54 -3.951 10.301 8.568 1.00 1.92 C ATOM 856 OD1 ASP A 54 -2.896 10.954 8.426 1.00 3.62 O ATOM 857 OD2 ASP A 54 -4.805 10.067 7.677 1.00 2.41 O ATOM 0 H ASP A 54 -2.587 8.104 8.953 1.00 0.76 H new ATOM 0 HA ASP A 54 -2.478 9.945 11.124 1.00 0.84 H new ATOM 0 HB2 ASP A 54 -4.959 8.829 9.742 1.00 1.04 H new ATOM 0 HB3 ASP A 54 -4.796 10.387 10.528 1.00 1.04 H new ATOM 862 N LYS A 55 -3.522 6.931 11.741 1.00 0.78 N ATOM 863 CA LYS A 55 -4.174 5.938 12.605 1.00 0.88 C ATOM 864 C LYS A 55 -5.687 6.180 12.751 1.00 0.88 C ATOM 865 O LYS A 55 -6.249 5.974 13.826 1.00 1.39 O ATOM 866 CB LYS A 55 -3.407 5.835 13.941 1.00 1.13 C ATOM 867 CG LYS A 55 -1.968 5.309 13.790 1.00 1.51 C ATOM 868 CD LYS A 55 -1.946 3.814 13.427 1.00 1.92 C ATOM 869 CE LYS A 55 -0.528 3.256 13.306 1.00 2.16 C ATOM 870 NZ LYS A 55 0.235 3.321 14.573 1.00 2.64 N ATOM 0 H LYS A 55 -2.954 6.497 11.013 1.00 0.78 H new ATOM 0 HA LYS A 55 -4.120 4.959 12.130 1.00 0.88 H new ATOM 0 HB2 LYS A 55 -3.377 6.819 14.409 1.00 1.13 H new ATOM 0 HB3 LYS A 55 -3.956 5.177 14.615 1.00 1.13 H new ATOM 0 HG2 LYS A 55 -1.451 5.879 13.018 1.00 1.51 H new ATOM 0 HG3 LYS A 55 -1.423 5.466 14.721 1.00 1.51 H new ATOM 0 HD2 LYS A 55 -2.489 3.252 14.187 1.00 1.92 H new ATOM 0 HD3 LYS A 55 -2.472 3.666 12.484 1.00 1.92 H new ATOM 0 HE2 LYS A 55 -0.580 2.219 12.973 1.00 2.16 H new ATOM 0 HE3 LYS A 55 0.009 3.811 12.537 1.00 2.16 H new ATOM 0 HZ1 LYS A 55 0.845 2.483 14.654 1.00 2.64 H new ATOM 0 HZ2 LYS A 55 0.822 4.179 14.581 1.00 2.64 H new ATOM 0 HZ3 LYS A 55 -0.426 3.347 15.375 1.00 2.64 H new ATOM 884 N SER A 56 -6.356 6.593 11.664 1.00 0.49 N ATOM 885 CA SER A 56 -7.811 6.809 11.635 1.00 0.51 C ATOM 886 C SER A 56 -8.627 5.563 11.249 1.00 0.53 C ATOM 887 O SER A 56 -9.851 5.589 11.351 1.00 0.73 O ATOM 888 CB SER A 56 -8.169 7.998 10.733 1.00 0.66 C ATOM 889 OG SER A 56 -8.106 7.693 9.349 1.00 0.67 O ATOM 0 H SER A 56 -5.899 6.788 10.773 1.00 0.49 H new ATOM 0 HA SER A 56 -8.094 7.037 12.663 1.00 0.51 H new ATOM 0 HB2 SER A 56 -9.175 8.340 10.977 1.00 0.66 H new ATOM 0 HB3 SER A 56 -7.491 8.824 10.947 1.00 0.66 H new ATOM 0 HG SER A 56 -8.346 8.488 8.828 1.00 0.67 H new ATOM 895 N GLY A 57 -7.971 4.480 10.814 1.00 0.52 N ATOM 896 CA GLY A 57 -8.569 3.226 10.351 1.00 0.62 C ATOM 897 C GLY A 57 -8.877 3.195 8.847 1.00 0.45 C ATOM 898 O GLY A 57 -9.469 2.231 8.366 1.00 0.45 O ATOM 0 H GLY A 57 -6.952 4.456 10.774 1.00 0.52 H new ATOM 0 HA2 GLY A 57 -7.894 2.404 10.589 1.00 0.62 H new ATOM 0 HA3 GLY A 57 -9.492 3.051 10.904 1.00 0.62 H new ATOM 902 N PHE A 58 -8.480 4.233 8.102 1.00 0.39 N ATOM 903 CA PHE A 58 -8.776 4.461 6.682 1.00 0.36 C ATOM 904 C PHE A 58 -7.564 5.123 6.014 1.00 0.46 C ATOM 905 O PHE A 58 -6.820 5.831 6.692 1.00 0.99 O ATOM 906 CB PHE A 58 -10.015 5.363 6.587 1.00 0.42 C ATOM 907 CG PHE A 58 -11.224 4.852 7.349 1.00 0.47 C ATOM 908 CD1 PHE A 58 -11.996 3.793 6.831 1.00 1.90 C ATOM 909 CD2 PHE A 58 -11.531 5.383 8.616 1.00 1.90 C ATOM 910 CE1 PHE A 58 -13.061 3.263 7.584 1.00 2.01 C ATOM 911 CE2 PHE A 58 -12.588 4.847 9.372 1.00 1.95 C ATOM 912 CZ PHE A 58 -13.353 3.787 8.856 1.00 0.92 C ATOM 0 H PHE A 58 -7.910 4.981 8.497 1.00 0.39 H new ATOM 0 HA PHE A 58 -8.977 3.520 6.170 1.00 0.36 H new ATOM 0 HB2 PHE A 58 -9.757 6.354 6.961 1.00 0.42 H new ATOM 0 HB3 PHE A 58 -10.285 5.479 5.537 1.00 0.42 H new ATOM 0 HD1 PHE A 58 -11.771 3.388 5.856 1.00 1.90 H new ATOM 0 HD2 PHE A 58 -10.952 6.206 9.009 1.00 1.90 H new ATOM 0 HE1 PHE A 58 -13.654 2.454 7.185 1.00 2.01 H new ATOM 0 HE2 PHE A 58 -12.812 5.250 10.349 1.00 1.95 H new ATOM 0 HZ PHE A 58 -14.165 3.375 9.436 1.00 0.92 H new ATOM 922 N ILE A 59 -7.391 4.936 4.701 1.00 0.31 N ATOM 923 CA ILE A 59 -6.429 5.688 3.875 1.00 0.29 C ATOM 924 C ILE A 59 -7.186 6.604 2.905 1.00 0.36 C ATOM 925 O ILE A 59 -8.120 6.155 2.242 1.00 0.48 O ATOM 926 CB ILE A 59 -5.503 4.705 3.135 1.00 0.39 C ATOM 927 CG1 ILE A 59 -4.483 4.064 4.092 1.00 0.59 C ATOM 928 CG2 ILE A 59 -4.815 5.337 1.924 1.00 0.74 C ATOM 929 CD1 ILE A 59 -3.803 2.839 3.469 1.00 0.78 C ATOM 0 H ILE A 59 -7.923 4.247 4.170 1.00 0.31 H new ATOM 0 HA ILE A 59 -5.805 6.319 4.508 1.00 0.29 H new ATOM 0 HB ILE A 59 -6.142 3.912 2.747 1.00 0.39 H new ATOM 0 HG12 ILE A 59 -3.726 4.801 4.362 1.00 0.59 H new ATOM 0 HG13 ILE A 59 -4.985 3.770 5.014 1.00 0.59 H new ATOM 0 HG21 ILE A 59 -4.175 4.598 1.442 1.00 0.74 H new ATOM 0 HG22 ILE A 59 -5.569 5.681 1.216 1.00 0.74 H new ATOM 0 HG23 ILE A 59 -4.210 6.183 2.250 1.00 0.74 H new ATOM 0 HD11 ILE A 59 -3.091 2.418 4.179 1.00 0.78 H new ATOM 0 HD12 ILE A 59 -4.556 2.090 3.223 1.00 0.78 H new ATOM 0 HD13 ILE A 59 -3.278 3.137 2.561 1.00 0.78 H new ATOM 941 N GLU A 60 -6.730 7.852 2.784 1.00 0.38 N ATOM 942 CA GLU A 60 -7.291 8.972 2.032 1.00 0.46 C ATOM 943 C GLU A 60 -6.205 9.612 1.141 1.00 0.36 C ATOM 944 O GLU A 60 -5.046 9.192 1.178 1.00 0.38 O ATOM 945 CB GLU A 60 -7.870 10.043 2.993 1.00 0.72 C ATOM 946 CG GLU A 60 -8.955 9.586 3.988 1.00 1.25 C ATOM 947 CD GLU A 60 -8.422 9.196 5.379 1.00 1.07 C ATOM 948 OE1 GLU A 60 -7.573 8.288 5.491 1.00 2.74 O ATOM 949 OE2 GLU A 60 -8.822 9.756 6.419 1.00 1.61 O ATOM 0 H GLU A 60 -5.871 8.130 3.259 1.00 0.38 H new ATOM 0 HA GLU A 60 -8.096 8.590 1.404 1.00 0.46 H new ATOM 0 HB2 GLU A 60 -7.044 10.465 3.565 1.00 0.72 H new ATOM 0 HB3 GLU A 60 -8.285 10.850 2.389 1.00 0.72 H new ATOM 0 HG2 GLU A 60 -9.685 10.388 4.104 1.00 1.25 H new ATOM 0 HG3 GLU A 60 -9.484 8.733 3.563 1.00 1.25 H new ATOM 956 N GLU A 61 -6.563 10.635 0.343 1.00 0.58 N ATOM 957 CA GLU A 61 -5.643 11.368 -0.549 1.00 0.70 C ATOM 958 C GLU A 61 -4.351 11.839 0.149 1.00 0.65 C ATOM 959 O GLU A 61 -3.272 11.775 -0.446 1.00 0.64 O ATOM 960 CB GLU A 61 -6.368 12.495 -1.299 1.00 1.04 C ATOM 961 CG GLU A 61 -6.990 13.590 -0.427 1.00 1.83 C ATOM 962 CD GLU A 61 -7.776 14.567 -1.309 1.00 2.16 C ATOM 963 OE1 GLU A 61 -8.938 14.233 -1.636 1.00 2.68 O ATOM 964 OE2 GLU A 61 -7.198 15.614 -1.680 1.00 2.93 O ATOM 0 H GLU A 61 -7.521 10.983 0.299 1.00 0.58 H new ATOM 0 HA GLU A 61 -5.304 10.653 -1.298 1.00 0.70 H new ATOM 0 HB2 GLU A 61 -5.661 12.962 -1.984 1.00 1.04 H new ATOM 0 HB3 GLU A 61 -7.156 12.051 -1.907 1.00 1.04 H new ATOM 0 HG2 GLU A 61 -7.650 13.145 0.317 1.00 1.83 H new ATOM 0 HG3 GLU A 61 -6.210 14.123 0.117 1.00 1.83 H new ATOM 971 N ASP A 62 -4.462 12.212 1.429 1.00 0.72 N ATOM 972 CA ASP A 62 -3.398 12.598 2.354 1.00 0.89 C ATOM 973 C ASP A 62 -2.255 11.580 2.435 1.00 0.76 C ATOM 974 O ASP A 62 -1.093 11.958 2.282 1.00 0.90 O ATOM 975 CB ASP A 62 -4.014 12.819 3.746 1.00 1.10 C ATOM 976 CG ASP A 62 -5.202 13.781 3.705 1.00 1.80 C ATOM 977 OD1 ASP A 62 -6.272 13.328 3.229 1.00 3.42 O ATOM 978 OD2 ASP A 62 -5.019 14.947 4.119 1.00 2.36 O ATOM 0 H ASP A 62 -5.376 12.254 1.879 1.00 0.72 H new ATOM 0 HA ASP A 62 -2.950 13.516 1.974 1.00 0.89 H new ATOM 0 HB2 ASP A 62 -4.338 11.862 4.155 1.00 1.10 H new ATOM 0 HB3 ASP A 62 -3.253 13.212 4.420 1.00 1.10 H new ATOM 983 N GLU A 63 -2.554 10.295 2.668 1.00 0.65 N ATOM 984 CA GLU A 63 -1.535 9.247 2.585 1.00 0.69 C ATOM 985 C GLU A 63 -1.290 8.809 1.150 1.00 0.52 C ATOM 986 O GLU A 63 -0.153 8.504 0.813 1.00 0.61 O ATOM 987 CB GLU A 63 -1.939 7.997 3.357 1.00 1.00 C ATOM 988 CG GLU A 63 -2.252 8.287 4.823 1.00 1.17 C ATOM 989 CD GLU A 63 -3.745 8.172 5.072 1.00 1.26 C ATOM 990 OE1 GLU A 63 -4.548 8.714 4.281 1.00 2.75 O ATOM 991 OE2 GLU A 63 -4.112 7.496 6.057 1.00 1.36 O ATOM 0 H GLU A 63 -3.486 9.961 2.913 1.00 0.65 H new ATOM 0 HA GLU A 63 -0.635 9.689 3.013 1.00 0.69 H new ATOM 0 HB2 GLU A 63 -2.813 7.550 2.884 1.00 1.00 H new ATOM 0 HB3 GLU A 63 -1.135 7.263 3.299 1.00 1.00 H new ATOM 0 HG2 GLU A 63 -1.714 7.587 5.463 1.00 1.17 H new ATOM 0 HG3 GLU A 63 -1.908 9.288 5.085 1.00 1.17 H new ATOM 998 N LEU A 64 -2.335 8.761 0.315 1.00 0.43 N ATOM 999 CA LEU A 64 -2.304 8.221 -1.045 1.00 0.55 C ATOM 1000 C LEU A 64 -1.138 8.744 -1.874 1.00 0.48 C ATOM 1001 O LEU A 64 -0.537 7.979 -2.620 1.00 0.60 O ATOM 1002 CB LEU A 64 -3.619 8.566 -1.755 1.00 0.81 C ATOM 1003 CG LEU A 64 -4.372 7.350 -2.272 1.00 0.84 C ATOM 1004 CD1 LEU A 64 -5.044 6.583 -1.146 1.00 0.96 C ATOM 1005 CD2 LEU A 64 -5.450 7.812 -3.253 1.00 1.50 C ATOM 0 H LEU A 64 -3.256 9.110 0.579 1.00 0.43 H new ATOM 0 HA LEU A 64 -2.174 7.143 -0.955 1.00 0.55 H new ATOM 0 HB2 LEU A 64 -4.261 9.114 -1.065 1.00 0.81 H new ATOM 0 HB3 LEU A 64 -3.406 9.233 -2.591 1.00 0.81 H new ATOM 0 HG LEU A 64 -3.652 6.691 -2.757 1.00 0.84 H new ATOM 0 HD11 LEU A 64 -5.571 5.722 -1.556 1.00 0.96 H new ATOM 0 HD12 LEU A 64 -4.290 6.242 -0.437 1.00 0.96 H new ATOM 0 HD13 LEU A 64 -5.754 7.234 -0.636 1.00 0.96 H new ATOM 0 HD21 LEU A 64 -5.995 6.946 -3.629 1.00 1.50 H new ATOM 0 HD22 LEU A 64 -6.142 8.483 -2.744 1.00 1.50 H new ATOM 0 HD23 LEU A 64 -4.983 8.336 -4.087 1.00 1.50 H new ATOM 1017 N GLY A 65 -0.804 10.029 -1.717 1.00 0.38 N ATOM 1018 CA GLY A 65 0.377 10.626 -2.329 1.00 0.40 C ATOM 1019 C GLY A 65 1.681 9.860 -2.065 1.00 0.39 C ATOM 1020 O GLY A 65 2.498 9.760 -2.970 1.00 0.52 O ATOM 0 H GLY A 65 -1.351 10.684 -1.158 1.00 0.38 H new ATOM 0 HA2 GLY A 65 0.220 10.692 -3.406 1.00 0.40 H new ATOM 0 HA3 GLY A 65 0.487 11.646 -1.960 1.00 0.40 H new ATOM 1024 N PHE A 66 1.905 9.330 -0.855 1.00 0.37 N ATOM 1025 CA PHE A 66 3.202 8.790 -0.416 1.00 0.39 C ATOM 1026 C PHE A 66 3.070 7.634 0.605 1.00 0.34 C ATOM 1027 O PHE A 66 3.922 7.448 1.472 1.00 0.42 O ATOM 1028 CB PHE A 66 4.089 9.949 0.077 1.00 0.46 C ATOM 1029 CG PHE A 66 3.522 10.796 1.204 1.00 0.48 C ATOM 1030 CD1 PHE A 66 2.636 11.852 0.919 1.00 1.68 C ATOM 1031 CD2 PHE A 66 3.914 10.559 2.534 1.00 1.33 C ATOM 1032 CE1 PHE A 66 2.131 12.651 1.958 1.00 1.79 C ATOM 1033 CE2 PHE A 66 3.430 11.374 3.572 1.00 1.35 C ATOM 1034 CZ PHE A 66 2.531 12.418 3.283 1.00 0.82 C ATOM 0 H PHE A 66 1.179 9.263 -0.141 1.00 0.37 H new ATOM 0 HA PHE A 66 3.692 8.323 -1.270 1.00 0.39 H new ATOM 0 HB2 PHE A 66 5.042 9.535 0.406 1.00 0.46 H new ATOM 0 HB3 PHE A 66 4.301 10.602 -0.769 1.00 0.46 H new ATOM 0 HD1 PHE A 66 2.344 12.049 -0.102 1.00 1.68 H new ATOM 0 HD2 PHE A 66 4.590 9.747 2.759 1.00 1.33 H new ATOM 0 HE1 PHE A 66 1.434 13.446 1.737 1.00 1.79 H new ATOM 0 HE2 PHE A 66 3.747 11.200 4.589 1.00 1.35 H new ATOM 0 HZ PHE A 66 2.149 13.039 4.080 1.00 0.82 H new ATOM 1044 N ILE A 67 2.019 6.821 0.462 1.00 0.34 N ATOM 1045 CA ILE A 67 1.599 5.620 1.198 1.00 0.32 C ATOM 1046 C ILE A 67 2.780 4.711 1.521 1.00 0.34 C ATOM 1047 O ILE A 67 2.914 4.240 2.651 1.00 0.39 O ATOM 1048 CB ILE A 67 0.443 4.982 0.375 1.00 0.45 C ATOM 1049 CG1 ILE A 67 -0.028 3.592 0.822 1.00 0.96 C ATOM 1050 CG2 ILE A 67 0.662 4.953 -1.146 1.00 1.15 C ATOM 1051 CD1 ILE A 67 0.879 2.414 0.447 1.00 0.56 C ATOM 0 H ILE A 67 1.346 7.018 -0.279 1.00 0.34 H new ATOM 0 HA ILE A 67 1.214 5.850 2.191 1.00 0.32 H new ATOM 0 HB ILE A 67 -0.352 5.690 0.608 1.00 0.45 H new ATOM 0 HG12 ILE A 67 -0.145 3.602 1.906 1.00 0.96 H new ATOM 0 HG13 ILE A 67 -1.015 3.412 0.397 1.00 0.96 H new ATOM 0 HG21 ILE A 67 -0.198 4.490 -1.629 1.00 1.15 H new ATOM 0 HG22 ILE A 67 0.781 5.971 -1.516 1.00 1.15 H new ATOM 0 HG23 ILE A 67 1.559 4.377 -1.374 1.00 1.15 H new ATOM 0 HD11 ILE A 67 0.442 1.486 0.816 1.00 0.56 H new ATOM 0 HD12 ILE A 67 0.978 2.362 -0.637 1.00 0.56 H new ATOM 0 HD13 ILE A 67 1.863 2.555 0.895 1.00 0.56 H new ATOM 1063 N LEU A 68 3.695 4.541 0.567 1.00 0.40 N ATOM 1064 CA LEU A 68 4.895 3.734 0.734 1.00 0.53 C ATOM 1065 C LEU A 68 5.809 4.195 1.869 1.00 0.47 C ATOM 1066 O LEU A 68 6.609 3.382 2.314 1.00 0.46 O ATOM 1067 CB LEU A 68 5.649 3.654 -0.597 1.00 0.73 C ATOM 1068 CG LEU A 68 4.831 2.889 -1.644 1.00 1.17 C ATOM 1069 CD1 LEU A 68 4.522 3.805 -2.820 1.00 1.42 C ATOM 1070 CD2 LEU A 68 5.587 1.641 -2.108 1.00 1.83 C ATOM 0 H LEU A 68 3.619 4.968 -0.356 1.00 0.40 H new ATOM 0 HA LEU A 68 4.566 2.739 1.032 1.00 0.53 H new ATOM 0 HB2 LEU A 68 5.862 4.660 -0.960 1.00 0.73 H new ATOM 0 HB3 LEU A 68 6.609 3.159 -0.447 1.00 0.73 H new ATOM 0 HG LEU A 68 3.892 2.564 -1.197 1.00 1.17 H new ATOM 0 HD11 LEU A 68 3.941 3.259 -3.563 1.00 1.42 H new ATOM 0 HD12 LEU A 68 3.950 4.665 -2.471 1.00 1.42 H new ATOM 0 HD13 LEU A 68 5.454 4.148 -3.269 1.00 1.42 H new ATOM 0 HD21 LEU A 68 4.992 1.110 -2.851 1.00 1.83 H new ATOM 0 HD22 LEU A 68 6.539 1.935 -2.549 1.00 1.83 H new ATOM 0 HD23 LEU A 68 5.769 0.988 -1.255 1.00 1.83 H new ATOM 1082 N LYS A 69 5.666 5.421 2.404 1.00 0.50 N ATOM 1083 CA LYS A 69 6.367 5.846 3.625 1.00 0.63 C ATOM 1084 C LYS A 69 6.027 5.001 4.850 1.00 0.64 C ATOM 1085 O LYS A 69 6.788 5.062 5.816 1.00 0.75 O ATOM 1086 CB LYS A 69 6.134 7.336 3.923 1.00 0.85 C ATOM 1087 CG LYS A 69 7.144 8.234 3.186 1.00 0.77 C ATOM 1088 CD LYS A 69 7.577 9.450 4.019 1.00 1.38 C ATOM 1089 CE LYS A 69 8.774 9.152 4.944 1.00 1.56 C ATOM 1090 NZ LYS A 69 8.492 8.128 5.986 1.00 3.12 N ATOM 0 H LYS A 69 5.064 6.140 2.003 1.00 0.50 H new ATOM 0 HA LYS A 69 7.426 5.688 3.418 1.00 0.63 H new ATOM 0 HB2 LYS A 69 5.121 7.611 3.628 1.00 0.85 H new ATOM 0 HB3 LYS A 69 6.211 7.508 4.997 1.00 0.85 H new ATOM 0 HG2 LYS A 69 8.024 7.646 2.925 1.00 0.77 H new ATOM 0 HG3 LYS A 69 6.702 8.578 2.251 1.00 0.77 H new ATOM 0 HD2 LYS A 69 7.838 10.268 3.348 1.00 1.38 H new ATOM 0 HD3 LYS A 69 6.735 9.789 4.622 1.00 1.38 H new ATOM 0 HE2 LYS A 69 9.615 8.816 4.337 1.00 1.56 H new ATOM 0 HE3 LYS A 69 9.082 10.077 5.432 1.00 1.56 H new ATOM 0 HZ1 LYS A 69 9.319 8.031 6.610 1.00 3.12 H new ATOM 0 HZ2 LYS A 69 7.667 8.422 6.547 1.00 3.12 H new ATOM 0 HZ3 LYS A 69 8.293 7.215 5.530 1.00 3.12 H new ATOM 1104 N GLY A 70 4.946 4.214 4.797 1.00 0.57 N ATOM 1105 CA GLY A 70 4.695 3.139 5.753 1.00 0.61 C ATOM 1106 C GLY A 70 5.427 1.840 5.421 1.00 0.59 C ATOM 1107 O GLY A 70 5.946 1.184 6.321 1.00 0.81 O ATOM 0 H GLY A 70 4.221 4.308 4.086 1.00 0.57 H new ATOM 0 HA2 GLY A 70 4.995 3.471 6.747 1.00 0.61 H new ATOM 0 HA3 GLY A 70 3.624 2.942 5.792 1.00 0.61 H new ATOM 1111 N PHE A 71 5.503 1.470 4.140 1.00 0.46 N ATOM 1112 CA PHE A 71 6.282 0.313 3.709 1.00 0.44 C ATOM 1113 C PHE A 71 7.794 0.511 3.919 1.00 0.44 C ATOM 1114 O PHE A 71 8.468 -0.462 4.266 1.00 0.59 O ATOM 1115 CB PHE A 71 5.954 -0.043 2.249 1.00 0.45 C ATOM 1116 CG PHE A 71 4.525 -0.498 1.959 1.00 0.54 C ATOM 1117 CD1 PHE A 71 3.907 -1.504 2.732 1.00 1.47 C ATOM 1118 CD2 PHE A 71 3.845 0.001 0.831 1.00 1.68 C ATOM 1119 CE1 PHE A 71 2.630 -1.983 2.381 1.00 1.45 C ATOM 1120 CE2 PHE A 71 2.578 -0.489 0.470 1.00 1.85 C ATOM 1121 CZ PHE A 71 1.966 -1.484 1.247 1.00 0.91 C ATOM 0 H PHE A 71 5.030 1.961 3.381 1.00 0.46 H new ATOM 0 HA PHE A 71 5.995 -0.528 4.340 1.00 0.44 H new ATOM 0 HB2 PHE A 71 6.166 0.829 1.630 1.00 0.45 H new ATOM 0 HB3 PHE A 71 6.634 -0.833 1.930 1.00 0.45 H new ATOM 0 HD1 PHE A 71 4.415 -1.908 3.595 1.00 1.47 H new ATOM 0 HD2 PHE A 71 4.305 0.774 0.233 1.00 1.68 H new ATOM 0 HE1 PHE A 71 2.157 -2.740 2.988 1.00 1.45 H new ATOM 0 HE2 PHE A 71 2.077 -0.100 -0.404 1.00 1.85 H new ATOM 0 HZ PHE A 71 0.992 -1.864 0.976 1.00 0.91 H new ATOM 1131 N SER A 72 8.349 1.725 3.735 1.00 0.40 N ATOM 1132 CA SER A 72 9.774 2.027 3.933 1.00 0.39 C ATOM 1133 C SER A 72 10.138 3.483 3.603 1.00 0.49 C ATOM 1134 O SER A 72 9.308 4.228 3.083 1.00 0.60 O ATOM 1135 CB SER A 72 10.584 1.093 3.031 1.00 0.40 C ATOM 1136 OG SER A 72 11.018 0.028 3.836 1.00 0.89 O ATOM 0 H SER A 72 7.806 2.536 3.439 1.00 0.40 H new ATOM 0 HA SER A 72 10.002 1.879 4.988 1.00 0.39 H new ATOM 0 HB2 SER A 72 9.974 0.729 2.204 1.00 0.40 H new ATOM 0 HB3 SER A 72 11.433 1.618 2.594 1.00 0.40 H new ATOM 0 HG SER A 72 10.245 -0.504 4.120 1.00 0.89 H new ATOM 1142 N PRO A 73 11.388 3.912 3.858 1.00 0.48 N ATOM 1143 CA PRO A 73 11.930 5.110 3.232 1.00 0.52 C ATOM 1144 C PRO A 73 12.131 4.913 1.714 1.00 0.53 C ATOM 1145 O PRO A 73 12.008 3.813 1.180 1.00 0.50 O ATOM 1146 CB PRO A 73 13.239 5.386 3.979 1.00 0.53 C ATOM 1147 CG PRO A 73 13.711 3.993 4.390 1.00 0.50 C ATOM 1148 CD PRO A 73 12.407 3.246 4.663 1.00 0.48 C ATOM 0 HA PRO A 73 11.253 5.961 3.305 1.00 0.52 H new ATOM 0 HB2 PRO A 73 13.968 5.886 3.341 1.00 0.53 H new ATOM 0 HB3 PRO A 73 13.080 6.028 4.845 1.00 0.53 H new ATOM 0 HG2 PRO A 73 14.290 3.515 3.600 1.00 0.50 H new ATOM 0 HG3 PRO A 73 14.347 4.029 5.275 1.00 0.50 H new ATOM 0 HD2 PRO A 73 12.495 2.194 4.390 1.00 0.48 H new ATOM 0 HD3 PRO A 73 12.152 3.280 5.722 1.00 0.48 H new ATOM 1156 N ASP A 74 12.423 6.021 1.027 1.00 0.59 N ATOM 1157 CA ASP A 74 12.558 6.155 -0.442 1.00 0.62 C ATOM 1158 C ASP A 74 11.265 5.812 -1.218 1.00 0.60 C ATOM 1159 O ASP A 74 11.274 5.501 -2.402 1.00 0.84 O ATOM 1160 CB ASP A 74 13.818 5.428 -0.956 1.00 0.77 C ATOM 1161 CG ASP A 74 14.312 5.940 -2.318 1.00 1.48 C ATOM 1162 OD1 ASP A 74 13.963 7.084 -2.704 1.00 2.48 O ATOM 1163 OD2 ASP A 74 15.110 5.223 -2.954 1.00 2.46 O ATOM 0 H ASP A 74 12.583 6.909 1.503 1.00 0.59 H new ATOM 0 HA ASP A 74 12.707 7.214 -0.654 1.00 0.62 H new ATOM 0 HB2 ASP A 74 14.617 5.542 -0.223 1.00 0.77 H new ATOM 0 HB3 ASP A 74 13.606 4.362 -1.033 1.00 0.77 H new ATOM 1168 N ALA A 75 10.138 5.918 -0.514 1.00 0.60 N ATOM 1169 CA ALA A 75 8.756 5.742 -0.941 1.00 0.65 C ATOM 1170 C ALA A 75 8.296 6.640 -2.101 1.00 0.89 C ATOM 1171 O ALA A 75 7.644 6.163 -3.027 1.00 1.86 O ATOM 1172 CB ALA A 75 7.954 6.068 0.313 1.00 0.62 C ATOM 0 H ALA A 75 10.180 6.155 0.477 1.00 0.60 H new ATOM 0 HA ALA A 75 8.621 4.735 -1.337 1.00 0.65 H new ATOM 0 HB1 ALA A 75 6.890 5.966 0.101 1.00 0.62 H new ATOM 0 HB2 ALA A 75 8.233 5.381 1.112 1.00 0.62 H new ATOM 0 HB3 ALA A 75 8.165 7.091 0.624 1.00 0.62 H new ATOM 1178 N ARG A 76 8.638 7.935 -2.009 1.00 0.57 N ATOM 1179 CA ARG A 76 8.322 9.038 -2.938 1.00 0.59 C ATOM 1180 C ARG A 76 6.826 9.338 -3.104 1.00 0.58 C ATOM 1181 O ARG A 76 5.959 8.713 -2.495 1.00 0.65 O ATOM 1182 CB ARG A 76 9.031 8.842 -4.298 1.00 0.77 C ATOM 1183 CG ARG A 76 10.474 8.374 -4.094 1.00 0.66 C ATOM 1184 CD ARG A 76 11.409 8.625 -5.273 1.00 0.86 C ATOM 1185 NE ARG A 76 12.795 8.393 -4.827 1.00 1.63 N ATOM 1186 CZ ARG A 76 13.879 9.108 -5.079 1.00 1.93 C ATOM 1187 NH1 ARG A 76 13.893 10.094 -5.946 1.00 2.17 N ATOM 1188 NH2 ARG A 76 14.969 8.828 -4.414 1.00 2.72 N ATOM 0 H ARG A 76 9.189 8.268 -1.218 1.00 0.57 H new ATOM 0 HA ARG A 76 8.721 9.935 -2.464 1.00 0.59 H new ATOM 0 HB2 ARG A 76 8.487 8.110 -4.895 1.00 0.77 H new ATOM 0 HB3 ARG A 76 9.023 9.778 -4.856 1.00 0.77 H new ATOM 0 HG2 ARG A 76 10.881 8.874 -3.215 1.00 0.66 H new ATOM 0 HG3 ARG A 76 10.466 7.306 -3.878 1.00 0.66 H new ATOM 0 HD2 ARG A 76 11.161 7.961 -6.101 1.00 0.86 H new ATOM 0 HD3 ARG A 76 11.294 9.646 -5.637 1.00 0.86 H new ATOM 0 HE ARG A 76 12.938 7.568 -4.244 1.00 1.63 H new ATOM 0 HH11 ARG A 76 13.044 10.336 -6.457 1.00 2.17 H new ATOM 0 HH12 ARG A 76 14.753 10.618 -6.108 1.00 2.17 H new ATOM 0 HH21 ARG A 76 14.967 8.077 -3.724 1.00 2.72 H new ATOM 0 HH22 ARG A 76 15.822 9.361 -4.585 1.00 2.72 H new ATOM 1202 N ASP A 77 6.557 10.375 -3.893 1.00 0.69 N ATOM 1203 CA ASP A 77 5.254 10.900 -4.266 1.00 0.63 C ATOM 1204 C ASP A 77 4.732 10.255 -5.565 1.00 0.65 C ATOM 1205 O ASP A 77 5.229 10.523 -6.658 1.00 0.75 O ATOM 1206 CB ASP A 77 5.316 12.439 -4.337 1.00 0.64 C ATOM 1207 CG ASP A 77 6.461 13.025 -5.185 1.00 2.13 C ATOM 1208 OD1 ASP A 77 7.622 12.580 -4.994 1.00 3.39 O ATOM 1209 OD2 ASP A 77 6.179 13.967 -5.958 1.00 3.16 O ATOM 0 H ASP A 77 7.311 10.912 -4.322 1.00 0.69 H new ATOM 0 HA ASP A 77 4.527 10.635 -3.498 1.00 0.63 H new ATOM 0 HB2 ASP A 77 4.370 12.804 -4.736 1.00 0.64 H new ATOM 0 HB3 ASP A 77 5.405 12.828 -3.322 1.00 0.64 H new ATOM 1214 N LEU A 78 3.724 9.387 -5.432 1.00 0.61 N ATOM 1215 CA LEU A 78 2.950 8.801 -6.536 1.00 0.65 C ATOM 1216 C LEU A 78 2.246 9.895 -7.363 1.00 0.60 C ATOM 1217 O LEU A 78 1.786 10.895 -6.802 1.00 0.70 O ATOM 1218 CB LEU A 78 1.905 7.809 -5.974 1.00 0.70 C ATOM 1219 CG LEU A 78 2.443 6.744 -4.998 1.00 0.73 C ATOM 1220 CD1 LEU A 78 1.348 5.764 -4.571 1.00 1.13 C ATOM 1221 CD2 LEU A 78 3.609 5.968 -5.624 1.00 1.32 C ATOM 0 H LEU A 78 3.411 9.059 -4.518 1.00 0.61 H new ATOM 0 HA LEU A 78 3.639 8.270 -7.193 1.00 0.65 H new ATOM 0 HB2 LEU A 78 1.128 8.380 -5.466 1.00 0.70 H new ATOM 0 HB3 LEU A 78 1.430 7.299 -6.812 1.00 0.70 H new ATOM 0 HG LEU A 78 2.797 7.273 -4.113 1.00 0.73 H new ATOM 0 HD11 LEU A 78 1.766 5.029 -3.883 1.00 1.13 H new ATOM 0 HD12 LEU A 78 0.545 6.309 -4.075 1.00 1.13 H new ATOM 0 HD13 LEU A 78 0.952 5.255 -5.450 1.00 1.13 H new ATOM 0 HD21 LEU A 78 3.971 5.222 -4.916 1.00 1.32 H new ATOM 0 HD22 LEU A 78 3.269 5.471 -6.533 1.00 1.32 H new ATOM 0 HD23 LEU A 78 4.416 6.659 -5.869 1.00 1.32 H new ATOM 1233 N SER A 79 2.123 9.719 -8.689 1.00 0.55 N ATOM 1234 CA SER A 79 1.498 10.749 -9.534 1.00 0.48 C ATOM 1235 C SER A 79 0.001 10.928 -9.260 1.00 0.48 C ATOM 1236 O SER A 79 -0.676 10.054 -8.721 1.00 0.46 O ATOM 1237 CB SER A 79 1.717 10.484 -11.033 1.00 0.62 C ATOM 1238 OG SER A 79 0.639 9.769 -11.612 1.00 1.69 O ATOM 0 H SER A 79 2.441 8.890 -9.191 1.00 0.55 H new ATOM 0 HA SER A 79 2.001 11.677 -9.262 1.00 0.48 H new ATOM 0 HB2 SER A 79 1.843 11.433 -11.554 1.00 0.62 H new ATOM 0 HB3 SER A 79 2.640 9.921 -11.170 1.00 0.62 H new ATOM 0 HG SER A 79 0.695 9.827 -12.589 1.00 1.69 H new ATOM 1244 N ALA A 80 -0.545 12.038 -9.768 1.00 0.58 N ATOM 1245 CA ALA A 80 -1.977 12.310 -9.798 1.00 0.69 C ATOM 1246 C ALA A 80 -2.802 11.252 -10.556 1.00 0.67 C ATOM 1247 O ALA A 80 -3.990 11.086 -10.281 1.00 0.84 O ATOM 1248 CB ALA A 80 -2.164 13.677 -10.457 1.00 0.83 C ATOM 0 H ALA A 80 0.014 12.786 -10.178 1.00 0.58 H new ATOM 0 HA ALA A 80 -2.346 12.286 -8.773 1.00 0.69 H new ATOM 0 HB1 ALA A 80 -3.226 13.919 -10.499 1.00 0.83 H new ATOM 0 HB2 ALA A 80 -1.642 14.436 -9.875 1.00 0.83 H new ATOM 0 HB3 ALA A 80 -1.757 13.652 -11.468 1.00 0.83 H new ATOM 1254 N LYS A 81 -2.199 10.553 -11.531 1.00 0.58 N ATOM 1255 CA LYS A 81 -2.859 9.476 -12.283 1.00 0.60 C ATOM 1256 C LYS A 81 -2.842 8.188 -11.469 1.00 0.55 C ATOM 1257 O LYS A 81 -3.863 7.505 -11.385 1.00 0.56 O ATOM 1258 CB LYS A 81 -2.187 9.250 -13.650 1.00 0.62 C ATOM 1259 CG LYS A 81 -1.885 10.524 -14.456 1.00 0.62 C ATOM 1260 CD LYS A 81 -3.123 11.419 -14.640 1.00 1.75 C ATOM 1261 CE LYS A 81 -2.795 12.626 -15.522 1.00 1.95 C ATOM 1262 NZ LYS A 81 -3.933 13.575 -15.578 1.00 3.11 N ATOM 0 H LYS A 81 -1.235 10.721 -11.820 1.00 0.58 H new ATOM 0 HA LYS A 81 -3.891 9.775 -12.465 1.00 0.60 H new ATOM 0 HB2 LYS A 81 -1.253 8.711 -13.492 1.00 0.62 H new ATOM 0 HB3 LYS A 81 -2.830 8.605 -14.249 1.00 0.62 H new ATOM 0 HG2 LYS A 81 -1.104 11.092 -13.951 1.00 0.62 H new ATOM 0 HG3 LYS A 81 -1.495 10.246 -15.435 1.00 0.62 H new ATOM 0 HD2 LYS A 81 -3.930 10.842 -15.091 1.00 1.75 H new ATOM 0 HD3 LYS A 81 -3.479 11.759 -13.668 1.00 1.75 H new ATOM 0 HE2 LYS A 81 -1.913 13.135 -15.133 1.00 1.95 H new ATOM 0 HE3 LYS A 81 -2.550 12.288 -16.529 1.00 1.95 H new ATOM 0 HZ1 LYS A 81 -3.682 14.383 -16.183 1.00 3.11 H new ATOM 0 HZ2 LYS A 81 -4.767 13.094 -15.971 1.00 3.11 H new ATOM 0 HZ3 LYS A 81 -4.149 13.915 -14.619 1.00 3.11 H new ATOM 1276 N GLU A 82 -1.696 7.916 -10.835 1.00 0.54 N ATOM 1277 CA GLU A 82 -1.489 6.839 -9.881 1.00 0.47 C ATOM 1278 C GLU A 82 -2.528 6.949 -8.759 1.00 0.44 C ATOM 1279 O GLU A 82 -3.407 6.100 -8.677 1.00 0.46 O ATOM 1280 CB GLU A 82 -0.034 6.903 -9.382 1.00 0.51 C ATOM 1281 CG GLU A 82 0.658 5.535 -9.338 1.00 0.82 C ATOM 1282 CD GLU A 82 0.431 4.791 -8.029 1.00 1.60 C ATOM 1283 OE1 GLU A 82 -0.706 4.833 -7.515 1.00 3.02 O ATOM 1284 OE2 GLU A 82 1.405 4.166 -7.561 1.00 2.18 O ATOM 0 H GLU A 82 -0.853 8.471 -10.985 1.00 0.54 H new ATOM 0 HA GLU A 82 -1.632 5.860 -10.339 1.00 0.47 H new ATOM 0 HB2 GLU A 82 0.535 7.569 -10.031 1.00 0.51 H new ATOM 0 HB3 GLU A 82 -0.019 7.341 -8.384 1.00 0.51 H new ATOM 0 HG2 GLU A 82 0.294 4.924 -10.164 1.00 0.82 H new ATOM 0 HG3 GLU A 82 1.729 5.671 -9.490 1.00 0.82 H new ATOM 1291 N THR A 83 -2.523 8.047 -7.987 1.00 0.44 N ATOM 1292 CA THR A 83 -3.459 8.275 -6.875 1.00 0.46 C ATOM 1293 C THR A 83 -4.927 8.171 -7.299 1.00 0.45 C ATOM 1294 O THR A 83 -5.704 7.526 -6.595 1.00 0.44 O ATOM 1295 CB THR A 83 -3.210 9.613 -6.162 1.00 0.54 C ATOM 1296 OG1 THR A 83 -3.324 10.696 -7.052 1.00 2.26 O ATOM 1297 CG2 THR A 83 -1.839 9.678 -5.490 1.00 2.22 C ATOM 0 H THR A 83 -1.860 8.811 -8.119 1.00 0.44 H new ATOM 0 HA THR A 83 -3.260 7.470 -6.168 1.00 0.46 H new ATOM 0 HB THR A 83 -3.977 9.681 -5.391 1.00 0.54 H new ATOM 0 HG1 THR A 83 -3.162 11.534 -6.570 1.00 2.26 H new ATOM 0 HG21 THR A 83 -1.718 10.645 -5.002 1.00 2.22 H new ATOM 0 HG22 THR A 83 -1.760 8.885 -4.747 1.00 2.22 H new ATOM 0 HG23 THR A 83 -1.059 9.550 -6.241 1.00 2.22 H new ATOM 1305 N LYS A 84 -5.315 8.733 -8.456 1.00 0.48 N ATOM 1306 CA LYS A 84 -6.664 8.584 -9.028 1.00 0.53 C ATOM 1307 C LYS A 84 -7.043 7.110 -9.228 1.00 0.52 C ATOM 1308 O LYS A 84 -8.090 6.675 -8.743 1.00 0.58 O ATOM 1309 CB LYS A 84 -6.757 9.391 -10.335 1.00 0.58 C ATOM 1310 CG LYS A 84 -8.170 9.396 -10.937 1.00 1.67 C ATOM 1311 CD LYS A 84 -8.181 10.106 -12.299 1.00 1.82 C ATOM 1312 CE LYS A 84 -9.586 10.145 -12.914 1.00 2.72 C ATOM 1313 NZ LYS A 84 -10.487 11.078 -12.191 1.00 2.82 N ATOM 0 H LYS A 84 -4.695 9.309 -9.026 1.00 0.48 H new ATOM 0 HA LYS A 84 -7.391 8.984 -8.321 1.00 0.53 H new ATOM 0 HB2 LYS A 84 -6.445 10.418 -10.145 1.00 0.58 H new ATOM 0 HB3 LYS A 84 -6.059 8.976 -11.062 1.00 0.58 H new ATOM 0 HG2 LYS A 84 -8.524 8.372 -11.053 1.00 1.67 H new ATOM 0 HG3 LYS A 84 -8.858 9.896 -10.256 1.00 1.67 H new ATOM 0 HD2 LYS A 84 -7.808 11.123 -12.181 1.00 1.82 H new ATOM 0 HD3 LYS A 84 -7.501 9.595 -12.980 1.00 1.82 H new ATOM 0 HE2 LYS A 84 -9.515 10.447 -13.959 1.00 2.72 H new ATOM 0 HE3 LYS A 84 -10.015 9.143 -12.900 1.00 2.72 H new ATOM 0 HZ1 LYS A 84 -11.420 11.085 -12.650 1.00 2.82 H new ATOM 0 HZ2 LYS A 84 -10.590 10.767 -11.204 1.00 2.82 H new ATOM 0 HZ3 LYS A 84 -10.083 12.036 -12.212 1.00 2.82 H new ATOM 1327 N MET A 85 -6.213 6.346 -9.949 1.00 0.48 N ATOM 1328 CA MET A 85 -6.454 4.921 -10.196 1.00 0.52 C ATOM 1329 C MET A 85 -6.395 4.095 -8.907 1.00 0.50 C ATOM 1330 O MET A 85 -7.278 3.273 -8.680 1.00 0.55 O ATOM 1331 CB MET A 85 -5.457 4.380 -11.229 1.00 0.55 C ATOM 1332 CG MET A 85 -5.784 4.893 -12.634 1.00 1.50 C ATOM 1333 SD MET A 85 -4.707 4.224 -13.927 1.00 2.08 S ATOM 1334 CE MET A 85 -5.572 4.848 -15.389 1.00 2.71 C ATOM 0 H MET A 85 -5.357 6.699 -10.377 1.00 0.48 H new ATOM 0 HA MET A 85 -7.464 4.826 -10.595 1.00 0.52 H new ATOM 0 HB2 MET A 85 -4.446 4.681 -10.955 1.00 0.55 H new ATOM 0 HB3 MET A 85 -5.478 3.290 -11.223 1.00 0.55 H new ATOM 0 HG2 MET A 85 -6.818 4.642 -12.870 1.00 1.50 H new ATOM 0 HG3 MET A 85 -5.710 5.980 -12.640 1.00 1.50 H new ATOM 0 HE1 MET A 85 -5.044 4.529 -16.288 1.00 2.71 H new ATOM 0 HE2 MET A 85 -6.588 4.454 -15.406 1.00 2.71 H new ATOM 0 HE3 MET A 85 -5.605 5.937 -15.355 1.00 2.71 H new ATOM 1344 N LEU A 86 -5.401 4.343 -8.050 1.00 0.44 N ATOM 1345 CA LEU A 86 -5.227 3.751 -6.728 1.00 0.44 C ATOM 1346 C LEU A 86 -6.497 3.926 -5.891 1.00 0.50 C ATOM 1347 O LEU A 86 -7.010 2.931 -5.387 1.00 0.63 O ATOM 1348 CB LEU A 86 -3.971 4.377 -6.090 1.00 0.47 C ATOM 1349 CG LEU A 86 -3.513 3.807 -4.736 1.00 0.65 C ATOM 1350 CD1 LEU A 86 -2.146 4.394 -4.368 1.00 2.33 C ATOM 1351 CD2 LEU A 86 -4.474 4.109 -3.596 1.00 2.35 C ATOM 0 H LEU A 86 -4.655 5.001 -8.277 1.00 0.44 H new ATOM 0 HA LEU A 86 -5.071 2.674 -6.791 1.00 0.44 H new ATOM 0 HB2 LEU A 86 -3.147 4.275 -6.796 1.00 0.47 H new ATOM 0 HB3 LEU A 86 -4.152 5.444 -5.964 1.00 0.47 H new ATOM 0 HG LEU A 86 -3.471 2.725 -4.861 1.00 0.65 H new ATOM 0 HD11 LEU A 86 -1.823 3.990 -3.409 1.00 2.33 H new ATOM 0 HD12 LEU A 86 -1.419 4.132 -5.136 1.00 2.33 H new ATOM 0 HD13 LEU A 86 -2.223 5.479 -4.297 1.00 2.33 H new ATOM 0 HD21 LEU A 86 -4.089 3.678 -2.672 1.00 2.35 H new ATOM 0 HD22 LEU A 86 -4.573 5.188 -3.480 1.00 2.35 H new ATOM 0 HD23 LEU A 86 -5.450 3.677 -3.819 1.00 2.35 H new ATOM 1363 N MET A 87 -7.027 5.153 -5.774 1.00 0.49 N ATOM 1364 CA MET A 87 -8.283 5.436 -5.072 1.00 0.59 C ATOM 1365 C MET A 87 -9.416 4.549 -5.602 1.00 0.62 C ATOM 1366 O MET A 87 -9.996 3.774 -4.843 1.00 0.69 O ATOM 1367 CB MET A 87 -8.639 6.930 -5.199 1.00 0.75 C ATOM 1368 CG MET A 87 -9.792 7.319 -4.267 1.00 1.15 C ATOM 1369 SD MET A 87 -10.397 9.005 -4.536 1.00 1.60 S ATOM 1370 CE MET A 87 -11.533 9.148 -3.132 1.00 2.57 C ATOM 0 H MET A 87 -6.588 5.985 -6.170 1.00 0.49 H new ATOM 0 HA MET A 87 -8.151 5.205 -4.015 1.00 0.59 H new ATOM 0 HB2 MET A 87 -7.762 7.534 -4.965 1.00 0.75 H new ATOM 0 HB3 MET A 87 -8.914 7.152 -6.230 1.00 0.75 H new ATOM 0 HG2 MET A 87 -10.615 6.619 -4.408 1.00 1.15 H new ATOM 0 HG3 MET A 87 -9.463 7.220 -3.233 1.00 1.15 H new ATOM 0 HE1 MET A 87 -12.000 10.133 -3.140 1.00 2.57 H new ATOM 0 HE2 MET A 87 -12.304 8.381 -3.208 1.00 2.57 H new ATOM 0 HE3 MET A 87 -10.980 9.016 -2.202 1.00 2.57 H new ATOM 1380 N ALA A 88 -9.709 4.654 -6.906 1.00 0.61 N ATOM 1381 CA ALA A 88 -10.815 3.951 -7.556 1.00 0.67 C ATOM 1382 C ALA A 88 -10.674 2.419 -7.540 1.00 0.68 C ATOM 1383 O ALA A 88 -11.681 1.719 -7.460 1.00 0.91 O ATOM 1384 CB ALA A 88 -10.933 4.474 -8.992 1.00 0.72 C ATOM 0 H ALA A 88 -9.173 5.240 -7.546 1.00 0.61 H new ATOM 0 HA ALA A 88 -11.723 4.156 -6.988 1.00 0.67 H new ATOM 0 HB1 ALA A 88 -11.752 3.964 -9.499 1.00 0.72 H new ATOM 0 HB2 ALA A 88 -11.129 5.546 -8.974 1.00 0.72 H new ATOM 0 HB3 ALA A 88 -10.002 4.284 -9.526 1.00 0.72 H new ATOM 1390 N ALA A 89 -9.448 1.889 -7.625 1.00 0.52 N ATOM 1391 CA ALA A 89 -9.179 0.456 -7.561 1.00 0.51 C ATOM 1392 C ALA A 89 -9.172 -0.074 -6.121 1.00 0.56 C ATOM 1393 O ALA A 89 -9.778 -1.108 -5.858 1.00 0.75 O ATOM 1394 CB ALA A 89 -7.841 0.168 -8.253 1.00 0.59 C ATOM 0 H ALA A 89 -8.607 2.455 -7.742 1.00 0.52 H new ATOM 0 HA ALA A 89 -9.985 -0.066 -8.077 1.00 0.51 H new ATOM 0 HB1 ALA A 89 -7.632 -0.901 -8.210 1.00 0.59 H new ATOM 0 HB2 ALA A 89 -7.894 0.486 -9.294 1.00 0.59 H new ATOM 0 HB3 ALA A 89 -7.045 0.714 -7.747 1.00 0.59 H new ATOM 1400 N GLY A 90 -8.460 0.601 -5.208 1.00 0.52 N ATOM 1401 CA GLY A 90 -8.167 0.141 -3.852 1.00 0.55 C ATOM 1402 C GLY A 90 -9.367 0.184 -2.910 1.00 0.46 C ATOM 1403 O GLY A 90 -9.506 -0.697 -2.063 1.00 0.57 O ATOM 0 H GLY A 90 -8.059 1.518 -5.406 1.00 0.52 H new ATOM 0 HA2 GLY A 90 -7.791 -0.881 -3.899 1.00 0.55 H new ATOM 0 HA3 GLY A 90 -7.369 0.755 -3.435 1.00 0.55 H new ATOM 1407 N ASP A 91 -10.244 1.182 -3.064 1.00 0.41 N ATOM 1408 CA ASP A 91 -11.560 1.209 -2.429 1.00 0.46 C ATOM 1409 C ASP A 91 -12.543 0.275 -3.173 1.00 0.48 C ATOM 1410 O ASP A 91 -13.482 0.716 -3.835 1.00 0.52 O ATOM 1411 CB ASP A 91 -12.044 2.655 -2.358 1.00 0.56 C ATOM 1412 CG ASP A 91 -13.439 2.737 -1.754 1.00 0.79 C ATOM 1413 OD1 ASP A 91 -13.692 2.151 -0.669 1.00 0.80 O ATOM 1414 OD2 ASP A 91 -14.268 3.440 -2.360 1.00 1.30 O ATOM 0 H ASP A 91 -10.055 2.002 -3.640 1.00 0.41 H new ATOM 0 HA ASP A 91 -11.499 0.828 -1.410 1.00 0.46 H new ATOM 0 HB2 ASP A 91 -11.350 3.245 -1.759 1.00 0.56 H new ATOM 0 HB3 ASP A 91 -12.051 3.089 -3.358 1.00 0.56 H new ATOM 1419 N LYS A 92 -12.338 -1.040 -3.048 1.00 0.60 N ATOM 1420 CA LYS A 92 -13.241 -2.083 -3.553 1.00 0.74 C ATOM 1421 C LYS A 92 -14.652 -2.019 -2.954 1.00 0.76 C ATOM 1422 O LYS A 92 -15.595 -2.437 -3.620 1.00 0.94 O ATOM 1423 CB LYS A 92 -12.611 -3.469 -3.306 1.00 1.03 C ATOM 1424 CG LYS A 92 -11.485 -3.767 -4.304 1.00 1.56 C ATOM 1425 CD LYS A 92 -12.046 -4.158 -5.679 1.00 2.52 C ATOM 1426 CE LYS A 92 -11.013 -3.904 -6.777 1.00 3.46 C ATOM 1427 NZ LYS A 92 -11.425 -4.558 -8.036 1.00 4.16 N ATOM 0 H LYS A 92 -11.516 -1.421 -2.579 1.00 0.60 H new ATOM 0 HA LYS A 92 -13.365 -1.907 -4.622 1.00 0.74 H new ATOM 0 HB2 LYS A 92 -12.218 -3.514 -2.290 1.00 1.03 H new ATOM 0 HB3 LYS A 92 -13.380 -4.237 -3.385 1.00 1.03 H new ATOM 0 HG2 LYS A 92 -10.845 -2.890 -4.406 1.00 1.56 H new ATOM 0 HG3 LYS A 92 -10.861 -4.574 -3.921 1.00 1.56 H new ATOM 0 HD2 LYS A 92 -12.329 -5.211 -5.676 1.00 2.52 H new ATOM 0 HD3 LYS A 92 -12.950 -3.585 -5.884 1.00 2.52 H new ATOM 0 HE2 LYS A 92 -10.900 -2.832 -6.937 1.00 3.46 H new ATOM 0 HE3 LYS A 92 -10.040 -4.284 -6.464 1.00 3.46 H new ATOM 0 HZ1 LYS A 92 -10.620 -4.582 -8.694 1.00 4.16 H new ATOM 0 HZ2 LYS A 92 -11.738 -5.529 -7.836 1.00 4.16 H new ATOM 0 HZ3 LYS A 92 -12.207 -4.023 -8.465 1.00 4.16 H new ATOM 1441 N ASP A 93 -14.808 -1.486 -1.738 1.00 0.70 N ATOM 1442 CA ASP A 93 -16.106 -1.369 -1.062 1.00 0.77 C ATOM 1443 C ASP A 93 -16.933 -0.148 -1.511 1.00 0.72 C ATOM 1444 O ASP A 93 -18.152 -0.161 -1.350 1.00 0.85 O ATOM 1445 CB ASP A 93 -15.897 -1.256 0.453 1.00 0.99 C ATOM 1446 CG ASP A 93 -15.305 -2.497 1.124 1.00 1.01 C ATOM 1447 OD1 ASP A 93 -15.618 -3.626 0.695 1.00 1.44 O ATOM 1448 OD2 ASP A 93 -14.543 -2.266 2.093 1.00 1.77 O ATOM 0 H ASP A 93 -14.030 -1.120 -1.189 1.00 0.70 H new ATOM 0 HA ASP A 93 -16.660 -2.268 -1.332 1.00 0.77 H new ATOM 0 HB2 ASP A 93 -15.241 -0.408 0.651 1.00 0.99 H new ATOM 0 HB3 ASP A 93 -16.856 -1.033 0.920 1.00 0.99 H new ATOM 1453 N GLY A 94 -16.300 0.909 -2.041 1.00 0.66 N ATOM 1454 CA GLY A 94 -16.983 2.158 -2.399 1.00 0.77 C ATOM 1455 C GLY A 94 -17.095 3.201 -1.269 1.00 0.81 C ATOM 1456 O GLY A 94 -17.966 4.066 -1.344 1.00 1.01 O ATOM 0 H GLY A 94 -15.298 0.920 -2.233 1.00 0.66 H new ATOM 0 HA2 GLY A 94 -16.456 2.612 -3.238 1.00 0.77 H new ATOM 0 HA3 GLY A 94 -17.987 1.916 -2.747 1.00 0.77 H new ATOM 1460 N ASP A 95 -16.250 3.152 -0.225 1.00 0.70 N ATOM 1461 CA ASP A 95 -16.226 4.165 0.856 1.00 0.78 C ATOM 1462 C ASP A 95 -15.381 5.417 0.536 1.00 0.83 C ATOM 1463 O ASP A 95 -15.313 6.345 1.350 1.00 1.16 O ATOM 1464 CB ASP A 95 -15.635 3.584 2.148 1.00 0.81 C ATOM 1465 CG ASP A 95 -16.227 2.257 2.591 1.00 0.95 C ATOM 1466 OD1 ASP A 95 -17.425 2.209 2.925 1.00 1.85 O ATOM 1467 OD2 ASP A 95 -15.400 1.313 2.646 1.00 0.98 O ATOM 0 H ASP A 95 -15.561 2.410 -0.102 1.00 0.70 H new ATOM 0 HA ASP A 95 -17.272 4.452 0.965 1.00 0.78 H new ATOM 0 HB2 ASP A 95 -14.561 3.457 2.012 1.00 0.81 H new ATOM 0 HB3 ASP A 95 -15.771 4.310 2.950 1.00 0.81 H new ATOM 1472 N GLY A 96 -14.657 5.393 -0.585 1.00 0.73 N ATOM 1473 CA GLY A 96 -13.592 6.288 -1.032 1.00 0.75 C ATOM 1474 C GLY A 96 -12.280 6.222 -0.243 1.00 0.63 C ATOM 1475 O GLY A 96 -11.460 7.126 -0.373 1.00 0.91 O ATOM 0 H GLY A 96 -14.823 4.663 -1.278 1.00 0.73 H new ATOM 0 HA2 GLY A 96 -13.375 6.068 -2.077 1.00 0.75 H new ATOM 0 HA3 GLY A 96 -13.965 7.311 -0.993 1.00 0.75 H new ATOM 1479 N LYS A 97 -12.073 5.173 0.566 1.00 0.35 N ATOM 1480 CA LYS A 97 -10.850 4.912 1.339 1.00 0.32 C ATOM 1481 C LYS A 97 -10.468 3.437 1.250 1.00 0.33 C ATOM 1482 O LYS A 97 -11.347 2.575 1.260 1.00 0.43 O ATOM 1483 CB LYS A 97 -11.070 5.247 2.818 1.00 0.39 C ATOM 1484 CG LYS A 97 -11.182 6.755 3.091 1.00 0.50 C ATOM 1485 CD LYS A 97 -12.593 7.341 3.107 1.00 0.89 C ATOM 1486 CE LYS A 97 -13.470 6.735 4.209 1.00 1.90 C ATOM 1487 NZ LYS A 97 -14.894 7.071 3.985 1.00 2.78 N ATOM 0 H LYS A 97 -12.782 4.453 0.705 1.00 0.35 H new ATOM 0 HA LYS A 97 -10.058 5.535 0.923 1.00 0.32 H new ATOM 0 HB2 LYS A 97 -11.979 4.754 3.163 1.00 0.39 H new ATOM 0 HB3 LYS A 97 -10.245 4.840 3.402 1.00 0.39 H new ATOM 0 HG2 LYS A 97 -10.715 6.963 4.054 1.00 0.50 H new ATOM 0 HG3 LYS A 97 -10.602 7.283 2.334 1.00 0.50 H new ATOM 0 HD2 LYS A 97 -12.533 8.420 3.248 1.00 0.89 H new ATOM 0 HD3 LYS A 97 -13.064 7.172 2.139 1.00 0.89 H new ATOM 0 HE2 LYS A 97 -13.345 5.652 4.227 1.00 1.90 H new ATOM 0 HE3 LYS A 97 -13.151 7.109 5.182 1.00 1.90 H new ATOM 0 HZ1 LYS A 97 -15.471 6.667 4.750 1.00 2.78 H new ATOM 0 HZ2 LYS A 97 -15.009 8.105 3.974 1.00 2.78 H new ATOM 0 HZ3 LYS A 97 -15.204 6.678 3.073 1.00 2.78 H new ATOM 1501 N ILE A 98 -9.166 3.147 1.289 1.00 0.27 N ATOM 1502 CA ILE A 98 -8.653 1.774 1.415 1.00 0.29 C ATOM 1503 C ILE A 98 -8.870 1.322 2.859 1.00 0.29 C ATOM 1504 O ILE A 98 -8.456 2.012 3.794 1.00 0.29 O ATOM 1505 CB ILE A 98 -7.169 1.705 0.966 1.00 0.31 C ATOM 1506 CG1 ILE A 98 -7.116 1.644 -0.572 1.00 0.46 C ATOM 1507 CG2 ILE A 98 -6.331 0.532 1.532 1.00 0.35 C ATOM 1508 CD1 ILE A 98 -5.816 2.226 -1.126 1.00 0.40 C ATOM 0 H ILE A 98 -8.434 3.855 1.234 1.00 0.27 H new ATOM 0 HA ILE A 98 -9.190 1.090 0.758 1.00 0.29 H new ATOM 0 HB ILE A 98 -6.713 2.606 1.378 1.00 0.31 H new ATOM 0 HG12 ILE A 98 -7.217 0.608 -0.897 1.00 0.46 H new ATOM 0 HG13 ILE A 98 -7.963 2.191 -0.985 1.00 0.46 H new ATOM 0 HG21 ILE A 98 -5.313 0.592 1.146 1.00 0.35 H new ATOM 0 HG22 ILE A 98 -6.311 0.591 2.620 1.00 0.35 H new ATOM 0 HG23 ILE A 98 -6.778 -0.414 1.229 1.00 0.35 H new ATOM 0 HD11 ILE A 98 -5.823 2.162 -2.214 1.00 0.40 H new ATOM 0 HD12 ILE A 98 -5.727 3.270 -0.825 1.00 0.40 H new ATOM 0 HD13 ILE A 98 -4.969 1.662 -0.735 1.00 0.40 H new ATOM 1520 N GLY A 99 -9.534 0.175 3.019 1.00 0.34 N ATOM 1521 CA GLY A 99 -9.529 -0.645 4.229 1.00 0.33 C ATOM 1522 C GLY A 99 -8.617 -1.864 4.066 1.00 0.32 C ATOM 1523 O GLY A 99 -8.473 -2.408 2.973 1.00 0.37 O ATOM 0 H GLY A 99 -10.112 -0.222 2.279 1.00 0.34 H new ATOM 0 HA2 GLY A 99 -9.193 -0.047 5.076 1.00 0.33 H new ATOM 0 HA3 GLY A 99 -10.544 -0.974 4.453 1.00 0.33 H new ATOM 1527 N VAL A 100 -8.030 -2.319 5.174 1.00 0.33 N ATOM 1528 CA VAL A 100 -7.107 -3.460 5.243 1.00 0.37 C ATOM 1529 C VAL A 100 -7.560 -4.725 4.507 1.00 0.38 C ATOM 1530 O VAL A 100 -6.804 -5.276 3.706 1.00 0.47 O ATOM 1531 CB VAL A 100 -6.769 -3.765 6.711 1.00 0.44 C ATOM 1532 CG1 VAL A 100 -7.934 -4.159 7.632 1.00 0.48 C ATOM 1533 CG2 VAL A 100 -5.700 -4.846 6.749 1.00 0.61 C ATOM 0 H VAL A 100 -8.189 -1.888 6.085 1.00 0.33 H new ATOM 0 HA VAL A 100 -6.215 -3.146 4.701 1.00 0.37 H new ATOM 0 HB VAL A 100 -6.428 -2.814 7.120 1.00 0.44 H new ATOM 0 HG11 VAL A 100 -7.556 -4.346 8.637 1.00 0.48 H new ATOM 0 HG12 VAL A 100 -8.663 -3.349 7.663 1.00 0.48 H new ATOM 0 HG13 VAL A 100 -8.411 -5.062 7.250 1.00 0.48 H new ATOM 0 HG21 VAL A 100 -5.449 -5.074 7.785 1.00 0.61 H new ATOM 0 HG22 VAL A 100 -6.075 -5.745 6.260 1.00 0.61 H new ATOM 0 HG23 VAL A 100 -4.809 -4.495 6.229 1.00 0.61 H new ATOM 1543 N ASP A 101 -8.784 -5.181 4.773 1.00 0.39 N ATOM 1544 CA ASP A 101 -9.386 -6.382 4.193 1.00 0.52 C ATOM 1545 C ASP A 101 -9.497 -6.292 2.662 1.00 0.54 C ATOM 1546 O ASP A 101 -9.247 -7.268 1.945 1.00 0.58 O ATOM 1547 CB ASP A 101 -10.757 -6.573 4.860 1.00 0.63 C ATOM 1548 CG ASP A 101 -10.689 -7.639 5.957 1.00 1.19 C ATOM 1549 OD1 ASP A 101 -10.069 -7.338 7.002 1.00 2.64 O ATOM 1550 OD2 ASP A 101 -11.232 -8.741 5.726 1.00 1.71 O ATOM 0 H ASP A 101 -9.408 -4.705 5.424 1.00 0.39 H new ATOM 0 HA ASP A 101 -8.752 -7.248 4.382 1.00 0.52 H new ATOM 0 HB2 ASP A 101 -11.093 -5.628 5.287 1.00 0.63 H new ATOM 0 HB3 ASP A 101 -11.493 -6.864 4.110 1.00 0.63 H new ATOM 1555 N GLU A 102 -9.788 -5.088 2.155 1.00 0.56 N ATOM 1556 CA GLU A 102 -9.698 -4.764 0.736 1.00 0.64 C ATOM 1557 C GLU A 102 -8.242 -4.848 0.293 1.00 0.64 C ATOM 1558 O GLU A 102 -7.927 -5.606 -0.609 1.00 0.75 O ATOM 1559 CB GLU A 102 -10.230 -3.359 0.419 1.00 0.74 C ATOM 1560 CG GLU A 102 -11.545 -3.021 1.114 1.00 0.83 C ATOM 1561 CD GLU A 102 -11.938 -1.598 0.755 1.00 1.38 C ATOM 1562 OE1 GLU A 102 -12.411 -1.373 -0.375 1.00 3.29 O ATOM 1563 OE2 GLU A 102 -11.833 -0.684 1.619 1.00 1.08 O ATOM 0 H GLU A 102 -10.096 -4.305 2.731 1.00 0.56 H new ATOM 0 HA GLU A 102 -10.315 -5.484 0.199 1.00 0.64 H new ATOM 0 HB2 GLU A 102 -9.479 -2.624 0.708 1.00 0.74 H new ATOM 0 HB3 GLU A 102 -10.367 -3.268 -0.659 1.00 0.74 H new ATOM 0 HG2 GLU A 102 -12.325 -3.717 0.805 1.00 0.83 H new ATOM 0 HG3 GLU A 102 -11.438 -3.122 2.194 1.00 0.83 H new ATOM 1570 N PHE A 103 -7.338 -4.102 0.936 1.00 0.57 N ATOM 1571 CA PHE A 103 -5.931 -4.001 0.542 1.00 0.66 C ATOM 1572 C PHE A 103 -5.231 -5.366 0.442 1.00 0.59 C ATOM 1573 O PHE A 103 -4.444 -5.585 -0.477 1.00 0.67 O ATOM 1574 CB PHE A 103 -5.213 -3.050 1.517 1.00 0.80 C ATOM 1575 CG PHE A 103 -4.202 -2.104 0.896 1.00 0.63 C ATOM 1576 CD1 PHE A 103 -4.507 -1.393 -0.286 1.00 2.08 C ATOM 1577 CD2 PHE A 103 -2.991 -1.845 1.564 1.00 2.15 C ATOM 1578 CE1 PHE A 103 -3.605 -0.445 -0.796 1.00 2.62 C ATOM 1579 CE2 PHE A 103 -2.096 -0.888 1.054 1.00 2.31 C ATOM 1580 CZ PHE A 103 -2.397 -0.191 -0.127 1.00 1.92 C ATOM 0 H PHE A 103 -7.568 -3.543 1.758 1.00 0.57 H new ATOM 0 HA PHE A 103 -5.884 -3.592 -0.467 1.00 0.66 H new ATOM 0 HB2 PHE A 103 -5.966 -2.457 2.036 1.00 0.80 H new ATOM 0 HB3 PHE A 103 -4.704 -3.650 2.271 1.00 0.80 H new ATOM 0 HD1 PHE A 103 -5.438 -1.579 -0.800 1.00 2.08 H new ATOM 0 HD2 PHE A 103 -2.749 -2.382 2.469 1.00 2.15 H new ATOM 0 HE1 PHE A 103 -3.841 0.090 -1.704 1.00 2.62 H new ATOM 0 HE2 PHE A 103 -1.171 -0.688 1.574 1.00 2.31 H new ATOM 0 HZ PHE A 103 -1.702 0.537 -0.519 1.00 1.92 H new ATOM 1590 N SER A 104 -5.593 -6.294 1.336 1.00 0.50 N ATOM 1591 CA SER A 104 -5.186 -7.702 1.354 1.00 0.50 C ATOM 1592 C SER A 104 -5.609 -8.508 0.115 1.00 0.51 C ATOM 1593 O SER A 104 -4.924 -9.452 -0.280 1.00 0.73 O ATOM 1594 CB SER A 104 -5.812 -8.340 2.595 1.00 0.53 C ATOM 1595 OG SER A 104 -5.265 -9.620 2.829 1.00 0.93 O ATOM 0 H SER A 104 -6.215 -6.067 2.112 1.00 0.50 H new ATOM 0 HA SER A 104 -4.096 -7.724 1.362 1.00 0.50 H new ATOM 0 HB2 SER A 104 -5.642 -7.702 3.463 1.00 0.53 H new ATOM 0 HB3 SER A 104 -6.891 -8.419 2.464 1.00 0.53 H new ATOM 0 HG SER A 104 -5.677 -10.011 3.628 1.00 0.93 H new ATOM 1601 N THR A 105 -6.740 -8.153 -0.506 1.00 0.64 N ATOM 1602 CA THR A 105 -7.470 -8.980 -1.476 1.00 0.68 C ATOM 1603 C THR A 105 -7.577 -8.329 -2.863 1.00 0.71 C ATOM 1604 O THR A 105 -7.536 -9.022 -3.878 1.00 0.76 O ATOM 1605 CB THR A 105 -8.850 -9.330 -0.901 1.00 0.74 C ATOM 1606 OG1 THR A 105 -9.570 -8.177 -0.517 1.00 0.76 O ATOM 1607 CG2 THR A 105 -8.713 -10.248 0.316 1.00 0.70 C ATOM 0 H THR A 105 -7.188 -7.251 -0.342 1.00 0.64 H new ATOM 0 HA THR A 105 -6.901 -9.896 -1.635 1.00 0.68 H new ATOM 0 HB THR A 105 -9.398 -9.839 -1.694 1.00 0.74 H new ATOM 0 HG1 THR A 105 -9.633 -8.141 0.460 1.00 0.76 H new ATOM 0 HG21 THR A 105 -9.703 -10.483 0.707 1.00 0.70 H new ATOM 0 HG22 THR A 105 -8.211 -11.169 0.022 1.00 0.70 H new ATOM 0 HG23 THR A 105 -8.128 -9.746 1.087 1.00 0.70 H new ATOM 1615 N LEU A 106 -7.516 -6.998 -2.909 1.00 0.72 N ATOM 1616 CA LEU A 106 -7.227 -6.117 -4.045 1.00 0.79 C ATOM 1617 C LEU A 106 -6.103 -6.677 -4.934 1.00 0.74 C ATOM 1618 O LEU A 106 -6.173 -6.680 -6.160 1.00 0.82 O ATOM 1619 CB LEU A 106 -6.860 -4.755 -3.407 1.00 0.81 C ATOM 1620 CG LEU A 106 -6.489 -3.563 -4.299 1.00 1.24 C ATOM 1621 CD1 LEU A 106 -5.124 -3.703 -4.966 1.00 2.34 C ATOM 1622 CD2 LEU A 106 -7.572 -3.286 -5.328 1.00 2.21 C ATOM 0 H LEU A 106 -7.685 -6.452 -2.064 1.00 0.72 H new ATOM 0 HA LEU A 106 -8.079 -6.023 -4.718 1.00 0.79 H new ATOM 0 HB2 LEU A 106 -7.705 -4.448 -2.791 1.00 0.81 H new ATOM 0 HB3 LEU A 106 -6.021 -4.929 -2.733 1.00 0.81 H new ATOM 0 HG LEU A 106 -6.414 -2.704 -3.632 1.00 1.24 H new ATOM 0 HD11 LEU A 106 -4.928 -2.825 -5.581 1.00 2.34 H new ATOM 0 HD12 LEU A 106 -4.352 -3.790 -4.201 1.00 2.34 H new ATOM 0 HD13 LEU A 106 -5.115 -4.594 -5.593 1.00 2.34 H new ATOM 0 HD21 LEU A 106 -7.279 -2.436 -5.944 1.00 2.21 H new ATOM 0 HD22 LEU A 106 -7.706 -4.164 -5.960 1.00 2.21 H new ATOM 0 HD23 LEU A 106 -8.509 -3.059 -4.819 1.00 2.21 H new ATOM 1634 N VAL A 107 -5.045 -7.167 -4.291 1.00 0.67 N ATOM 1635 CA VAL A 107 -3.833 -7.727 -4.905 1.00 0.64 C ATOM 1636 C VAL A 107 -3.919 -9.220 -5.248 1.00 0.62 C ATOM 1637 O VAL A 107 -3.045 -9.770 -5.925 1.00 0.66 O ATOM 1638 CB VAL A 107 -2.674 -7.513 -3.937 1.00 0.56 C ATOM 1639 CG1 VAL A 107 -2.462 -6.008 -3.716 1.00 0.65 C ATOM 1640 CG2 VAL A 107 -2.912 -8.241 -2.605 1.00 0.54 C ATOM 0 H VAL A 107 -5.004 -7.187 -3.272 1.00 0.67 H new ATOM 0 HA VAL A 107 -3.695 -7.210 -5.854 1.00 0.64 H new ATOM 0 HB VAL A 107 -1.771 -7.938 -4.374 1.00 0.56 H new ATOM 0 HG11 VAL A 107 -1.634 -5.855 -3.024 1.00 0.65 H new ATOM 0 HG12 VAL A 107 -2.233 -5.529 -4.668 1.00 0.65 H new ATOM 0 HG13 VAL A 107 -3.369 -5.570 -3.299 1.00 0.65 H new ATOM 0 HG21 VAL A 107 -2.067 -8.067 -1.939 1.00 0.54 H new ATOM 0 HG22 VAL A 107 -3.823 -7.863 -2.141 1.00 0.54 H new ATOM 0 HG23 VAL A 107 -3.015 -9.311 -2.788 1.00 0.54 H new ATOM 1650 N ALA A 108 -4.976 -9.872 -4.764 1.00 0.62 N ATOM 1651 CA ALA A 108 -5.359 -11.249 -5.038 1.00 0.64 C ATOM 1652 C ALA A 108 -6.252 -11.346 -6.280 1.00 0.74 C ATOM 1653 O ALA A 108 -6.078 -12.272 -7.070 1.00 0.80 O ATOM 1654 CB ALA A 108 -6.039 -11.822 -3.795 1.00 0.67 C ATOM 0 H ALA A 108 -5.630 -9.417 -4.127 1.00 0.62 H new ATOM 0 HA ALA A 108 -4.470 -11.840 -5.260 1.00 0.64 H new ATOM 0 HB1 ALA A 108 -6.332 -12.855 -3.984 1.00 0.67 H new ATOM 0 HB2 ALA A 108 -5.346 -11.790 -2.954 1.00 0.67 H new ATOM 0 HB3 ALA A 108 -6.924 -11.231 -3.559 1.00 0.67 H new ATOM 1660 N GLU A 109 -7.071 -10.316 -6.536 1.00 0.91 N ATOM 1661 CA GLU A 109 -7.624 -10.040 -7.871 1.00 1.11 C ATOM 1662 C GLU A 109 -6.520 -9.884 -8.934 1.00 1.27 C ATOM 1663 O GLU A 109 -6.797 -10.043 -10.120 1.00 1.47 O ATOM 1664 CB GLU A 109 -8.475 -8.761 -7.856 1.00 1.54 C ATOM 1665 CG GLU A 109 -9.702 -8.815 -6.940 1.00 1.46 C ATOM 1666 CD GLU A 109 -10.389 -7.450 -6.951 1.00 2.69 C ATOM 1667 OE1 GLU A 109 -9.993 -6.579 -6.150 1.00 4.47 O ATOM 1668 OE2 GLU A 109 -11.267 -7.216 -7.816 1.00 2.82 O ATOM 0 H GLU A 109 -7.369 -9.650 -5.823 1.00 0.91 H new ATOM 0 HA GLU A 109 -8.243 -10.898 -8.132 1.00 1.11 H new ATOM 0 HB2 GLU A 109 -7.845 -7.926 -7.547 1.00 1.54 H new ATOM 0 HB3 GLU A 109 -8.807 -8.551 -8.873 1.00 1.54 H new ATOM 0 HG2 GLU A 109 -10.392 -9.587 -7.280 1.00 1.46 H new ATOM 0 HG3 GLU A 109 -9.404 -9.079 -5.925 1.00 1.46 H new ATOM 1675 N SER A 110 -5.268 -9.623 -8.515 1.00 1.29 N ATOM 1676 CA SER A 110 -4.056 -9.541 -9.333 1.00 1.58 C ATOM 1677 C SER A 110 -4.285 -9.068 -10.772 1.00 2.10 C ATOM 1678 O SER A 110 -3.991 -7.911 -11.090 1.00 2.13 O ATOM 1679 CB SER A 110 -3.282 -10.861 -9.297 1.00 1.57 C ATOM 1680 OG SER A 110 -3.895 -11.840 -10.102 1.00 1.84 O ATOM 0 H SER A 110 -5.069 -9.453 -7.529 1.00 1.29 H new ATOM 0 HA SER A 110 -3.451 -8.759 -8.875 1.00 1.58 H new ATOM 0 HB2 SER A 110 -2.260 -10.695 -9.639 1.00 1.57 H new ATOM 0 HB3 SER A 110 -3.220 -11.220 -8.270 1.00 1.57 H new ATOM 0 HG SER A 110 -3.376 -12.670 -10.059 1.00 1.84 H new TER 1686 SER A 110 HETATM 1687 CA CA A 111 -13.547 0.564 1.928 1.00 0.41 CA HETATM 1688 CA CA A 112 -6.143 8.242 7.080 1.00 0.67 CA