USER MOD reduce.3.24.130724 H: found=0, std=0, add=1138, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1135 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 52 THR OG1 : rot 180:sc= -0.173 USER MOD Set 1.2: A 53 ASN : amide:sc= -0.0381 X(o=-0.21,f=-0.25) USER MOD Set 2.1: A 9 GLN : amide:sc= -1.42 X(o=-1.4,f=-1.2) USER MOD Set 2.2: A 11 THR OG1 : rot 180:sc= 0.0183 USER MOD Set 3.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 51 LYS NZ :NH3+ 140:sc= -0.967 (180deg=-2.48!) USER MOD Single : A 1 MET N :NH3+ -159:sc= -0.116 (180deg=-0.85) USER MOD Single : A 2 ASN : amide:sc= -0.319 X(o=-0.32,f=-0.77) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -103:sc= 1.13 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.0802 K(o=-0.08,f=-3!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl -141:sc= -4.1! (180deg=-7.99!) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl -119:sc= -1.66 (180deg=-4.7!) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -139:sc= -0.956 (180deg=-3.5!) USER MOD Single : A 45 LYS NZ :NH3+ -121:sc= 0.273 (180deg=0) USER MOD Single : A 46 SER OG : rot -22:sc= 0.13 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.339 X(o=-0.34,f=-0.52) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.302 K(o=-0.3,f=-1) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00331) USER MOD Single : A 80 THR OG1 : rot 154:sc= 0.192 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.099 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -1.15 K(o=-1.1,f=-1.9!) USER MOD Single : A 100 SER OG : rot -162:sc= 1.01 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 CYS SG : rot 73:sc= -0.698 USER MOD Single : A 110 HIS : no HD1:sc= -0.0424 X(o=-0.042,f=-0.042) USER MOD Single : A 119 CYS SG : rot -140:sc= -1.81! USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.14 USER MOD Single : A 125 TYR OH : rot 0:sc= -0.466 USER MOD Single : A 126 TYR OH : rot -43:sc= 0.587 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.969 2.948 -4.881 1.00 10.43 N ATOM 2 CA MET A 1 3.907 2.055 -5.550 1.00 24.10 C ATOM 3 C MET A 1 3.573 0.596 -5.256 1.00 1.03 C ATOM 4 O MET A 1 3.544 -0.238 -6.160 1.00 13.05 O ATOM 5 CB MET A 1 5.340 2.361 -5.108 1.00 53.22 C ATOM 6 CG MET A 1 5.728 3.821 -5.276 1.00 3.21 C ATOM 7 SD MET A 1 5.944 4.288 -7.004 1.00 1.41 S ATOM 8 CE MET A 1 7.725 4.186 -7.162 1.00 43.14 C ATOM 0 H1 MET A 1 2.975 3.875 -5.353 1.00 10.43 H new ATOM 0 H2 MET A 1 2.012 2.543 -4.926 1.00 10.43 H new ATOM 0 H3 MET A 1 3.249 3.064 -3.886 1.00 10.43 H new ATOM 0 HA MET A 1 3.823 2.219 -6.624 1.00 24.10 H new ATOM 0 HB2 MET A 1 5.457 2.081 -4.061 1.00 53.22 H new ATOM 0 HB3 MET A 1 6.029 1.742 -5.682 1.00 53.22 H new ATOM 0 HG2 MET A 1 4.960 4.451 -4.827 1.00 3.21 H new ATOM 0 HG3 MET A 1 6.654 4.011 -4.734 1.00 3.21 H new ATOM 0 HE1 MET A 1 8.016 4.448 -8.179 1.00 43.14 H new ATOM 0 HE2 MET A 1 8.193 4.878 -6.462 1.00 43.14 H new ATOM 0 HE3 MET A 1 8.052 3.170 -6.941 1.00 43.14 H new ATOM 18 N ASN A 2 3.322 0.296 -3.986 1.00 21.44 N ATOM 19 CA ASN A 2 2.991 -1.063 -3.573 1.00 32.43 C ATOM 20 C ASN A 2 4.142 -2.019 -3.872 1.00 1.34 C ATOM 21 O ASN A 2 3.925 -3.173 -4.241 1.00 13.13 O ATOM 22 CB ASN A 2 1.721 -1.539 -4.282 1.00 43.01 C ATOM 23 CG ASN A 2 0.706 -0.426 -4.459 1.00 23.23 C ATOM 24 OD1 ASN A 2 0.549 0.430 -3.588 1.00 31.53 O ATOM 25 ND2 ASN A 2 0.011 -0.434 -5.590 1.00 44.43 N ATOM 0 H ASN A 2 3.341 0.975 -3.225 1.00 21.44 H new ATOM 0 HA ASN A 2 2.818 -1.056 -2.497 1.00 32.43 H new ATOM 0 HB2 ASN A 2 1.984 -1.946 -5.258 1.00 43.01 H new ATOM 0 HB3 ASN A 2 1.271 -2.350 -3.710 1.00 43.01 H new ATOM 0 HD21 ASN A 2 -0.687 0.289 -5.765 1.00 44.43 H new ATOM 0 HD22 ASN A 2 0.175 -1.163 -6.284 1.00 44.43 H new ATOM 32 N ASP A 3 5.367 -1.530 -3.709 1.00 55.31 N ATOM 33 CA ASP A 3 6.553 -2.340 -3.960 1.00 11.03 C ATOM 34 C ASP A 3 7.450 -2.386 -2.726 1.00 74.34 C ATOM 35 O ASP A 3 8.156 -1.424 -2.424 1.00 60.13 O ATOM 36 CB ASP A 3 7.333 -1.785 -5.152 1.00 41.13 C ATOM 37 CG ASP A 3 6.429 -1.401 -6.307 1.00 63.14 C ATOM 38 OD1 ASP A 3 5.451 -2.134 -6.565 1.00 1.13 O ATOM 39 OD2 ASP A 3 6.700 -0.367 -6.954 1.00 34.54 O ATOM 0 H ASP A 3 5.564 -0.577 -3.404 1.00 55.31 H new ATOM 0 HA ASP A 3 6.228 -3.355 -4.190 1.00 11.03 H new ATOM 0 HB2 ASP A 3 7.903 -0.912 -4.835 1.00 41.13 H new ATOM 0 HB3 ASP A 3 8.053 -2.530 -5.490 1.00 41.13 H new ATOM 44 N ILE A 4 7.415 -3.510 -2.018 1.00 40.10 N ATOM 45 CA ILE A 4 8.225 -3.681 -0.818 1.00 15.00 C ATOM 46 C ILE A 4 9.184 -4.857 -0.965 1.00 33.30 C ATOM 47 O ILE A 4 8.948 -5.768 -1.759 1.00 31.21 O ATOM 48 CB ILE A 4 7.346 -3.902 0.427 1.00 34.32 C ATOM 49 CG1 ILE A 4 6.080 -4.678 0.054 1.00 44.40 C ATOM 50 CG2 ILE A 4 6.987 -2.569 1.066 1.00 2.02 C ATOM 51 CD1 ILE A 4 6.360 -6.040 -0.540 1.00 20.41 C ATOM 0 H ILE A 4 6.835 -4.315 -2.254 1.00 40.10 H new ATOM 0 HA ILE A 4 8.798 -2.762 -0.690 1.00 15.00 H new ATOM 0 HB ILE A 4 7.910 -4.490 1.151 1.00 34.32 H new ATOM 0 HG12 ILE A 4 5.462 -4.799 0.944 1.00 44.40 H new ATOM 0 HG13 ILE A 4 5.501 -4.091 -0.659 1.00 44.40 H new ATOM 0 HG21 ILE A 4 6.366 -2.742 1.945 1.00 2.02 H new ATOM 0 HG22 ILE A 4 7.899 -2.051 1.363 1.00 2.02 H new ATOM 0 HG23 ILE A 4 6.439 -1.958 0.349 1.00 2.02 H new ATOM 0 HD11 ILE A 4 5.418 -6.533 -0.780 1.00 20.41 H new ATOM 0 HD12 ILE A 4 6.952 -5.926 -1.448 1.00 20.41 H new ATOM 0 HD13 ILE A 4 6.912 -6.644 0.180 1.00 20.41 H new ATOM 63 N ARG A 5 10.265 -4.832 -0.193 1.00 43.22 N ATOM 64 CA ARG A 5 11.260 -5.896 -0.237 1.00 23.52 C ATOM 65 C ARG A 5 10.622 -7.250 0.061 1.00 12.10 C ATOM 66 O ARG A 5 9.497 -7.321 0.557 1.00 1.34 O ATOM 67 CB ARG A 5 12.381 -5.618 0.766 1.00 1.53 C ATOM 68 CG ARG A 5 13.379 -4.575 0.290 1.00 1.31 C ATOM 69 CD ARG A 5 12.759 -3.187 0.253 1.00 3.51 C ATOM 70 NE ARG A 5 12.126 -2.836 1.522 1.00 42.25 N ATOM 71 CZ ARG A 5 11.315 -1.795 1.675 1.00 71.20 C ATOM 72 NH1 ARG A 5 11.039 -1.008 0.645 1.00 44.44 N ATOM 73 NH2 ARG A 5 10.777 -1.541 2.861 1.00 0.00 N ATOM 0 H ARG A 5 10.474 -4.086 0.471 1.00 43.22 H new ATOM 0 HA ARG A 5 11.680 -5.924 -1.243 1.00 23.52 H new ATOM 0 HB2 ARG A 5 11.941 -5.286 1.706 1.00 1.53 H new ATOM 0 HB3 ARG A 5 12.911 -6.548 0.973 1.00 1.53 H new ATOM 0 HG2 ARG A 5 14.245 -4.570 0.951 1.00 1.31 H new ATOM 0 HG3 ARG A 5 13.738 -4.841 -0.704 1.00 1.31 H new ATOM 0 HD2 ARG A 5 13.529 -2.452 0.016 1.00 3.51 H new ATOM 0 HD3 ARG A 5 12.019 -3.142 -0.546 1.00 3.51 H new ATOM 0 HE ARG A 5 12.317 -3.422 2.335 1.00 42.25 H new ATOM 0 HH11 ARG A 5 11.450 -1.201 -0.269 1.00 44.44 H new ATOM 0 HH12 ARG A 5 10.416 -0.210 0.766 1.00 44.44 H new ATOM 0 HH21 ARG A 5 10.986 -2.145 3.656 1.00 0.00 H new ATOM 0 HH22 ARG A 5 10.154 -0.742 2.978 1.00 0.00 H new ATOM 87 N ILE A 6 11.346 -8.320 -0.246 1.00 25.53 N ATOM 88 CA ILE A 6 10.851 -9.671 -0.010 1.00 51.13 C ATOM 89 C ILE A 6 11.719 -10.406 1.006 1.00 54.41 C ATOM 90 O ILE A 6 11.272 -11.356 1.648 1.00 72.32 O ATOM 91 CB ILE A 6 10.804 -10.489 -1.315 1.00 14.44 C ATOM 92 CG1 ILE A 6 11.943 -10.071 -2.246 1.00 5.42 C ATOM 93 CG2 ILE A 6 9.458 -10.311 -2.003 1.00 23.15 C ATOM 94 CD1 ILE A 6 11.591 -8.909 -3.149 1.00 20.51 C ATOM 0 H ILE A 6 12.278 -8.278 -0.659 1.00 25.53 H new ATOM 0 HA ILE A 6 9.840 -9.572 0.385 1.00 51.13 H new ATOM 0 HB ILE A 6 10.929 -11.544 -1.070 1.00 14.44 H new ATOM 0 HG12 ILE A 6 12.812 -9.803 -1.646 1.00 5.42 H new ATOM 0 HG13 ILE A 6 12.230 -10.924 -2.861 1.00 5.42 H new ATOM 0 HG21 ILE A 6 9.440 -10.895 -2.923 1.00 23.15 H new ATOM 0 HG22 ILE A 6 8.663 -10.653 -1.341 1.00 23.15 H new ATOM 0 HG23 ILE A 6 9.306 -9.258 -2.238 1.00 23.15 H new ATOM 0 HD11 ILE A 6 12.446 -8.667 -3.781 1.00 20.51 H new ATOM 0 HD12 ILE A 6 10.741 -9.180 -3.776 1.00 20.51 H new ATOM 0 HD13 ILE A 6 11.332 -8.042 -2.542 1.00 20.51 H new ATOM 106 N VAL A 7 12.962 -9.957 1.148 1.00 32.14 N ATOM 107 CA VAL A 7 13.892 -10.570 2.089 1.00 3.31 C ATOM 108 C VAL A 7 14.942 -9.567 2.555 1.00 65.43 C ATOM 109 O VAL A 7 15.935 -9.310 1.874 1.00 45.30 O ATOM 110 CB VAL A 7 14.601 -11.787 1.465 1.00 10.35 C ATOM 111 CG1 VAL A 7 13.629 -12.945 1.302 1.00 32.12 C ATOM 112 CG2 VAL A 7 15.226 -11.412 0.130 1.00 20.31 C ATOM 0 H VAL A 7 13.348 -9.172 0.624 1.00 32.14 H new ATOM 0 HA VAL A 7 13.305 -10.901 2.945 1.00 3.31 H new ATOM 0 HB VAL A 7 15.398 -12.105 2.136 1.00 10.35 H new ATOM 0 HG11 VAL A 7 14.147 -13.796 0.860 1.00 32.12 H new ATOM 0 HG12 VAL A 7 13.234 -13.228 2.277 1.00 32.12 H new ATOM 0 HG13 VAL A 7 12.808 -12.642 0.652 1.00 32.12 H new ATOM 0 HG21 VAL A 7 15.723 -12.283 -0.297 1.00 20.31 H new ATOM 0 HG22 VAL A 7 14.448 -11.067 -0.552 1.00 20.31 H new ATOM 0 HG23 VAL A 7 15.955 -10.616 0.281 1.00 20.31 H new ATOM 122 N PRO A 8 14.721 -8.987 3.744 1.00 73.44 N ATOM 123 CA PRO A 8 15.638 -8.004 4.328 1.00 34.31 C ATOM 124 C PRO A 8 16.955 -8.632 4.770 1.00 44.41 C ATOM 125 O PRO A 8 17.027 -9.835 5.018 1.00 43.13 O ATOM 126 CB PRO A 8 14.865 -7.475 5.539 1.00 41.32 C ATOM 127 CG PRO A 8 13.929 -8.575 5.902 1.00 24.52 C ATOM 128 CD PRO A 8 13.558 -9.247 4.609 1.00 30.00 C ATOM 0 HA PRO A 8 15.918 -7.231 3.612 1.00 34.31 H new ATOM 0 HB2 PRO A 8 15.536 -7.238 6.364 1.00 41.32 H new ATOM 0 HB3 PRO A 8 14.325 -6.560 5.295 1.00 41.32 H new ATOM 0 HG2 PRO A 8 14.402 -9.280 6.586 1.00 24.52 H new ATOM 0 HG3 PRO A 8 13.045 -8.185 6.407 1.00 24.52 H new ATOM 0 HD2 PRO A 8 13.389 -10.315 4.745 1.00 30.00 H new ATOM 0 HD3 PRO A 8 12.643 -8.831 4.188 1.00 30.00 H new ATOM 136 N GLN A 9 17.994 -7.808 4.866 1.00 24.54 N ATOM 137 CA GLN A 9 19.310 -8.284 5.278 1.00 33.34 C ATOM 138 C GLN A 9 19.232 -9.008 6.618 1.00 35.25 C ATOM 139 O GLN A 9 18.193 -8.998 7.281 1.00 63.05 O ATOM 140 CB GLN A 9 20.292 -7.115 5.373 1.00 34.33 C ATOM 141 CG GLN A 9 19.835 -6.012 6.314 1.00 20.13 C ATOM 142 CD GLN A 9 20.116 -6.333 7.769 1.00 1.41 C ATOM 143 OE1 GLN A 9 19.210 -6.330 8.603 1.00 25.45 O ATOM 144 NE2 GLN A 9 21.376 -6.611 8.082 1.00 44.25 N ATOM 0 H GLN A 9 17.950 -6.809 4.664 1.00 24.54 H new ATOM 0 HA GLN A 9 19.666 -8.988 4.526 1.00 33.34 H new ATOM 0 HB2 GLN A 9 21.259 -7.490 5.708 1.00 34.33 H new ATOM 0 HB3 GLN A 9 20.441 -6.694 4.378 1.00 34.33 H new ATOM 0 HG2 GLN A 9 20.336 -5.082 6.048 1.00 20.13 H new ATOM 0 HG3 GLN A 9 18.766 -5.847 6.182 1.00 20.13 H new ATOM 0 HE21 GLN A 9 22.095 -6.602 7.359 1.00 44.25 H new ATOM 0 HE22 GLN A 9 21.625 -6.834 9.046 1.00 44.25 H new ATOM 153 N ILE A 10 20.335 -9.636 7.012 1.00 52.54 N ATOM 154 CA ILE A 10 20.391 -10.364 8.273 1.00 13.30 C ATOM 155 C ILE A 10 21.482 -9.808 9.181 1.00 43.40 C ATOM 156 O ILE A 10 22.657 -9.775 8.811 1.00 14.14 O ATOM 157 CB ILE A 10 20.644 -11.866 8.045 1.00 12.33 C ATOM 158 CG1 ILE A 10 21.903 -12.071 7.200 1.00 13.40 C ATOM 159 CG2 ILE A 10 19.439 -12.510 7.376 1.00 22.41 C ATOM 160 CD1 ILE A 10 22.109 -13.503 6.761 1.00 61.31 C ATOM 0 H ILE A 10 21.202 -9.655 6.475 1.00 52.54 H new ATOM 0 HA ILE A 10 19.421 -10.236 8.754 1.00 13.30 H new ATOM 0 HB ILE A 10 20.797 -12.345 9.012 1.00 12.33 H new ATOM 0 HG12 ILE A 10 21.846 -11.434 6.318 1.00 13.40 H new ATOM 0 HG13 ILE A 10 22.772 -11.746 7.772 1.00 13.40 H new ATOM 0 HG21 ILE A 10 19.633 -13.571 7.221 1.00 22.41 H new ATOM 0 HG22 ILE A 10 18.562 -12.390 8.012 1.00 22.41 H new ATOM 0 HG23 ILE A 10 19.257 -12.030 6.414 1.00 22.41 H new ATOM 0 HD11 ILE A 10 23.020 -13.574 6.166 1.00 61.31 H new ATOM 0 HD12 ILE A 10 22.198 -14.143 7.639 1.00 61.31 H new ATOM 0 HD13 ILE A 10 21.258 -13.826 6.161 1.00 61.31 H new ATOM 172 N THR A 11 21.088 -9.372 10.373 1.00 13.24 N ATOM 173 CA THR A 11 22.032 -8.818 11.335 1.00 12.55 C ATOM 174 C THR A 11 22.617 -9.910 12.223 1.00 0.23 C ATOM 175 O THR A 11 22.481 -11.098 11.933 1.00 72.41 O ATOM 176 CB THR A 11 21.366 -7.750 12.225 1.00 62.51 C ATOM 177 OG1 THR A 11 20.099 -7.375 11.674 1.00 11.33 O ATOM 178 CG2 THR A 11 22.254 -6.522 12.352 1.00 10.32 C ATOM 0 H THR A 11 20.121 -9.392 10.695 1.00 13.24 H new ATOM 0 HA THR A 11 22.833 -8.353 10.760 1.00 12.55 H new ATOM 0 HB THR A 11 21.218 -8.175 13.218 1.00 62.51 H new ATOM 0 HG1 THR A 11 19.681 -6.697 12.246 1.00 11.33 H new ATOM 0 HG21 THR A 11 21.763 -5.782 12.984 1.00 10.32 H new ATOM 0 HG22 THR A 11 23.207 -6.807 12.799 1.00 10.32 H new ATOM 0 HG23 THR A 11 22.429 -6.096 11.364 1.00 10.32 H new ATOM 186 N ASP A 12 23.268 -9.500 13.306 1.00 12.33 N ATOM 187 CA ASP A 12 23.873 -10.444 14.238 1.00 33.33 C ATOM 188 C ASP A 12 22.805 -11.297 14.917 1.00 64.54 C ATOM 189 O ASP A 12 23.098 -12.370 15.444 1.00 1.24 O ATOM 190 CB ASP A 12 24.693 -9.699 15.292 1.00 24.21 C ATOM 191 CG ASP A 12 25.835 -10.536 15.835 1.00 30.11 C ATOM 192 OD1 ASP A 12 25.591 -11.348 16.752 1.00 61.14 O ATOM 193 OD2 ASP A 12 26.973 -10.378 15.344 1.00 74.40 O ATOM 0 H ASP A 12 23.390 -8.520 13.560 1.00 12.33 H new ATOM 0 HA ASP A 12 24.534 -11.101 13.673 1.00 33.33 H new ATOM 0 HB2 ASP A 12 25.093 -8.783 14.857 1.00 24.21 H new ATOM 0 HB3 ASP A 12 24.041 -9.403 16.114 1.00 24.21 H new ATOM 198 N GLU A 13 21.568 -10.813 14.899 1.00 53.52 N ATOM 199 CA GLU A 13 20.458 -11.531 15.514 1.00 12.42 C ATOM 200 C GLU A 13 19.914 -12.601 14.573 1.00 74.23 C ATOM 201 O GLU A 13 19.410 -13.633 15.015 1.00 10.13 O ATOM 202 CB GLU A 13 19.341 -10.557 15.897 1.00 61.11 C ATOM 203 CG GLU A 13 19.838 -9.312 16.611 1.00 12.54 C ATOM 204 CD GLU A 13 18.707 -8.406 17.059 1.00 1.22 C ATOM 205 OE1 GLU A 13 17.665 -8.933 17.501 1.00 31.33 O ATOM 206 OE2 GLU A 13 18.864 -7.170 16.968 1.00 71.44 O ATOM 0 H GLU A 13 21.309 -9.927 14.465 1.00 53.52 H new ATOM 0 HA GLU A 13 20.829 -12.019 16.415 1.00 12.42 H new ATOM 0 HB2 GLU A 13 18.805 -10.259 14.996 1.00 61.11 H new ATOM 0 HB3 GLU A 13 18.625 -11.072 16.538 1.00 61.11 H new ATOM 0 HG2 GLU A 13 20.428 -9.607 17.479 1.00 12.54 H new ATOM 0 HG3 GLU A 13 20.502 -8.758 15.947 1.00 12.54 H new ATOM 213 N GLU A 14 20.019 -12.346 13.272 1.00 20.32 N ATOM 214 CA GLU A 14 19.536 -13.287 12.268 1.00 22.55 C ATOM 215 C GLU A 14 20.653 -14.226 11.821 1.00 20.20 C ATOM 216 O GLU A 14 20.412 -15.394 11.515 1.00 22.21 O ATOM 217 CB GLU A 14 18.973 -12.535 11.061 1.00 71.20 C ATOM 218 CG GLU A 14 17.816 -11.612 11.404 1.00 33.44 C ATOM 219 CD GLU A 14 16.608 -12.363 11.933 1.00 5.51 C ATOM 220 OE1 GLU A 14 16.430 -13.539 11.555 1.00 74.33 O ATOM 221 OE2 GLU A 14 15.843 -11.773 12.724 1.00 31.42 O ATOM 0 H GLU A 14 20.434 -11.496 12.889 1.00 20.32 H new ATOM 0 HA GLU A 14 18.742 -13.883 12.718 1.00 22.55 H new ATOM 0 HB2 GLU A 14 19.771 -11.949 10.604 1.00 71.20 H new ATOM 0 HB3 GLU A 14 18.641 -13.258 10.316 1.00 71.20 H new ATOM 0 HG2 GLU A 14 18.143 -10.887 12.149 1.00 33.44 H new ATOM 0 HG3 GLU A 14 17.529 -11.049 10.516 1.00 33.44 H new ATOM 228 N PHE A 15 21.876 -13.707 11.785 1.00 54.42 N ATOM 229 CA PHE A 15 23.030 -14.497 11.373 1.00 2.34 C ATOM 230 C PHE A 15 23.399 -15.519 12.445 1.00 45.43 C ATOM 231 O PHE A 15 23.822 -16.633 12.137 1.00 62.33 O ATOM 232 CB PHE A 15 24.225 -13.584 11.090 1.00 11.41 C ATOM 233 CG PHE A 15 25.534 -14.316 11.013 1.00 51.04 C ATOM 234 CD1 PHE A 15 26.283 -14.546 12.155 1.00 1.54 C ATOM 235 CD2 PHE A 15 26.015 -14.775 9.797 1.00 30.32 C ATOM 236 CE1 PHE A 15 27.488 -15.218 12.087 1.00 64.45 C ATOM 237 CE2 PHE A 15 27.219 -15.449 9.722 1.00 24.32 C ATOM 238 CZ PHE A 15 27.957 -15.672 10.869 1.00 55.03 C ATOM 0 H PHE A 15 22.093 -12.743 12.036 1.00 54.42 H new ATOM 0 HA PHE A 15 22.766 -15.032 10.461 1.00 2.34 H new ATOM 0 HB2 PHE A 15 24.056 -13.059 10.150 1.00 11.41 H new ATOM 0 HB3 PHE A 15 24.287 -12.827 11.872 1.00 11.41 H new ATOM 0 HD1 PHE A 15 25.921 -14.196 13.110 1.00 1.54 H new ATOM 0 HD2 PHE A 15 25.442 -14.604 8.898 1.00 30.32 H new ATOM 0 HE1 PHE A 15 28.063 -15.388 12.985 1.00 64.45 H new ATOM 0 HE2 PHE A 15 27.583 -15.801 8.768 1.00 24.32 H new ATOM 0 HZ PHE A 15 28.898 -16.200 10.814 1.00 55.03 H new ATOM 248 N LYS A 16 23.237 -15.130 13.705 1.00 64.40 N ATOM 249 CA LYS A 16 23.552 -16.011 14.824 1.00 43.22 C ATOM 250 C LYS A 16 22.594 -17.197 14.869 1.00 3.01 C ATOM 251 O LYS A 16 22.814 -18.158 15.607 1.00 72.43 O ATOM 252 CB LYS A 16 23.486 -15.237 16.143 1.00 72.34 C ATOM 253 CG LYS A 16 22.075 -14.847 16.548 1.00 21.24 C ATOM 254 CD LYS A 16 22.036 -14.283 17.959 1.00 64.41 C ATOM 255 CE LYS A 16 20.609 -14.034 18.420 1.00 13.43 C ATOM 256 NZ LYS A 16 19.950 -15.284 18.889 1.00 63.53 N ATOM 0 H LYS A 16 22.889 -14.210 13.977 1.00 64.40 H new ATOM 0 HA LYS A 16 24.564 -16.390 14.683 1.00 43.22 H new ATOM 0 HB2 LYS A 16 23.927 -15.844 16.933 1.00 72.34 H new ATOM 0 HB3 LYS A 16 24.093 -14.336 16.057 1.00 72.34 H new ATOM 0 HG2 LYS A 16 21.686 -14.107 15.848 1.00 21.24 H new ATOM 0 HG3 LYS A 16 21.423 -15.719 16.485 1.00 21.24 H new ATOM 0 HD2 LYS A 16 22.525 -14.977 18.643 1.00 64.41 H new ATOM 0 HD3 LYS A 16 22.599 -13.350 17.995 1.00 64.41 H new ATOM 0 HE2 LYS A 16 20.611 -13.300 19.226 1.00 13.43 H new ATOM 0 HE3 LYS A 16 20.032 -13.605 17.600 1.00 13.43 H new ATOM 0 HZ1 LYS A 16 18.979 -15.071 19.195 1.00 63.53 H new ATOM 0 HZ2 LYS A 16 19.925 -15.976 18.113 1.00 63.53 H new ATOM 0 HZ3 LYS A 16 20.485 -15.680 19.688 1.00 63.53 H new ATOM 270 N THR A 17 21.531 -17.124 14.074 1.00 11.15 N ATOM 271 CA THR A 17 20.540 -18.191 14.024 1.00 71.22 C ATOM 272 C THR A 17 21.051 -19.378 13.215 1.00 51.01 C ATOM 273 O THR A 17 20.424 -20.437 13.186 1.00 72.30 O ATOM 274 CB THR A 17 19.215 -17.699 13.411 1.00 21.20 C ATOM 275 OG1 THR A 17 19.312 -17.685 11.982 1.00 15.14 O ATOM 276 CG2 THR A 17 18.870 -16.306 13.915 1.00 3.10 C ATOM 0 H THR A 17 21.335 -16.337 13.456 1.00 11.15 H new ATOM 0 HA THR A 17 20.361 -18.505 15.052 1.00 71.22 H new ATOM 0 HB THR A 17 18.423 -18.384 13.714 1.00 21.20 H new ATOM 0 HG1 THR A 17 19.445 -16.765 11.672 1.00 15.14 H new ATOM 0 HG21 THR A 17 17.931 -15.980 13.469 1.00 3.10 H new ATOM 0 HG22 THR A 17 18.768 -16.327 15.000 1.00 3.10 H new ATOM 0 HG23 THR A 17 19.664 -15.612 13.638 1.00 3.10 H new ATOM 284 N ILE A 18 22.192 -19.194 12.560 1.00 22.10 N ATOM 285 CA ILE A 18 22.788 -20.251 11.752 1.00 33.22 C ATOM 286 C ILE A 18 24.028 -20.826 12.427 1.00 22.32 C ATOM 287 O ILE A 18 24.929 -20.100 12.848 1.00 65.54 O ATOM 288 CB ILE A 18 23.170 -19.741 10.350 1.00 11.13 C ATOM 289 CG1 ILE A 18 21.925 -19.258 9.603 1.00 44.23 C ATOM 290 CG2 ILE A 18 23.876 -20.834 9.563 1.00 62.41 C ATOM 291 CD1 ILE A 18 21.861 -17.755 9.444 1.00 0.24 C ATOM 0 H ILE A 18 22.722 -18.323 12.573 1.00 22.10 H new ATOM 0 HA ILE A 18 22.036 -21.034 11.652 1.00 33.22 H new ATOM 0 HB ILE A 18 23.854 -18.900 10.459 1.00 11.13 H new ATOM 0 HG12 ILE A 18 21.901 -19.721 8.617 1.00 44.23 H new ATOM 0 HG13 ILE A 18 21.037 -19.597 10.136 1.00 44.23 H new ATOM 0 HG21 ILE A 18 24.140 -20.458 8.574 1.00 62.41 H new ATOM 0 HG22 ILE A 18 24.781 -21.135 10.090 1.00 62.41 H new ATOM 0 HG23 ILE A 18 23.214 -21.694 9.460 1.00 62.41 H new ATOM 0 HD11 ILE A 18 20.953 -17.484 8.906 1.00 0.24 H new ATOM 0 HD12 ILE A 18 21.854 -17.285 10.427 1.00 0.24 H new ATOM 0 HD13 ILE A 18 22.731 -17.411 8.884 1.00 0.24 H new ATOM 303 N PRO A 19 24.079 -22.163 12.533 1.00 54.50 N ATOM 304 CA PRO A 19 25.205 -22.866 13.154 1.00 40.40 C ATOM 305 C PRO A 19 26.473 -22.787 12.311 1.00 4.52 C ATOM 306 O PRO A 19 26.413 -22.739 11.082 1.00 30.34 O ATOM 307 CB PRO A 19 24.713 -24.312 13.246 1.00 62.24 C ATOM 308 CG PRO A 19 23.699 -24.437 12.161 1.00 23.03 C ATOM 309 CD PRO A 19 23.040 -23.090 12.054 1.00 51.11 C ATOM 0 HA PRO A 19 25.476 -22.432 14.116 1.00 40.40 H new ATOM 0 HB2 PRO A 19 25.531 -25.018 13.106 1.00 62.24 H new ATOM 0 HB3 PRO A 19 24.276 -24.520 14.222 1.00 62.24 H new ATOM 0 HG2 PRO A 19 24.169 -24.718 11.218 1.00 23.03 H new ATOM 0 HG3 PRO A 19 22.969 -25.211 12.396 1.00 23.03 H new ATOM 0 HD2 PRO A 19 22.745 -22.867 11.029 1.00 51.11 H new ATOM 0 HD3 PRO A 19 22.139 -23.034 12.665 1.00 51.11 H new ATOM 317 N LYS A 20 27.622 -22.773 12.979 1.00 10.20 N ATOM 318 CA LYS A 20 28.906 -22.701 12.292 1.00 21.41 C ATOM 319 C LYS A 20 29.055 -23.847 11.296 1.00 52.11 C ATOM 320 O LYS A 20 29.811 -23.748 10.330 1.00 42.45 O ATOM 321 CB LYS A 20 30.053 -22.740 13.305 1.00 35.41 C ATOM 322 CG LYS A 20 29.999 -23.938 14.238 1.00 10.44 C ATOM 323 CD LYS A 20 30.962 -23.780 15.403 1.00 11.03 C ATOM 324 CE LYS A 20 30.794 -24.898 16.421 1.00 73.14 C ATOM 325 NZ LYS A 20 31.592 -24.651 17.653 1.00 33.04 N ATOM 0 H LYS A 20 27.690 -22.811 13.996 1.00 10.20 H new ATOM 0 HA LYS A 20 28.944 -21.759 11.745 1.00 21.41 H new ATOM 0 HB2 LYS A 20 31.001 -22.751 12.768 1.00 35.41 H new ATOM 0 HB3 LYS A 20 30.034 -21.826 13.899 1.00 35.41 H new ATOM 0 HG2 LYS A 20 28.984 -24.060 14.617 1.00 10.44 H new ATOM 0 HG3 LYS A 20 30.243 -24.844 13.683 1.00 10.44 H new ATOM 0 HD2 LYS A 20 31.987 -23.776 15.031 1.00 11.03 H new ATOM 0 HD3 LYS A 20 30.795 -22.818 15.887 1.00 11.03 H new ATOM 0 HE2 LYS A 20 29.741 -24.994 16.684 1.00 73.14 H new ATOM 0 HE3 LYS A 20 31.099 -25.844 15.975 1.00 73.14 H new ATOM 0 HZ1 LYS A 20 31.450 -25.435 18.321 1.00 33.04 H new ATOM 0 HZ2 LYS A 20 32.600 -24.584 17.406 1.00 33.04 H new ATOM 0 HZ3 LYS A 20 31.284 -23.761 18.094 1.00 33.04 H new ATOM 339 N TYR A 21 28.328 -24.932 11.537 1.00 72.23 N ATOM 340 CA TYR A 21 28.380 -26.097 10.661 1.00 52.20 C ATOM 341 C TYR A 21 27.884 -25.748 9.261 1.00 72.20 C ATOM 342 O TYR A 21 28.210 -26.428 8.289 1.00 61.24 O ATOM 343 CB TYR A 21 27.541 -27.236 11.242 1.00 21.13 C ATOM 344 CG TYR A 21 28.115 -27.823 12.512 1.00 34.41 C ATOM 345 CD1 TYR A 21 27.903 -27.211 13.741 1.00 0.23 C ATOM 346 CD2 TYR A 21 28.869 -28.990 12.483 1.00 52.21 C ATOM 347 CE1 TYR A 21 28.426 -27.743 14.904 1.00 34.21 C ATOM 348 CE2 TYR A 21 29.394 -29.530 13.641 1.00 71.13 C ATOM 349 CZ TYR A 21 29.170 -28.903 14.849 1.00 72.14 C ATOM 350 OH TYR A 21 29.692 -29.437 16.004 1.00 25.41 O ATOM 0 H TYR A 21 27.696 -25.029 12.331 1.00 72.23 H new ATOM 0 HA TYR A 21 29.419 -26.420 10.589 1.00 52.20 H new ATOM 0 HB2 TYR A 21 26.535 -26.869 11.444 1.00 21.13 H new ATOM 0 HB3 TYR A 21 27.449 -28.025 10.496 1.00 21.13 H new ATOM 0 HD1 TYR A 21 27.319 -26.304 13.788 1.00 0.23 H new ATOM 0 HD2 TYR A 21 29.048 -29.483 11.539 1.00 52.21 H new ATOM 0 HE1 TYR A 21 28.253 -27.253 15.851 1.00 34.21 H new ATOM 0 HE2 TYR A 21 29.977 -30.438 13.601 1.00 71.13 H new ATOM 0 HH TYR A 21 30.189 -30.255 15.791 1.00 25.41 H new ATOM 360 N GLN A 22 27.094 -24.683 9.168 1.00 32.43 N ATOM 361 CA GLN A 22 26.552 -24.244 7.888 1.00 42.31 C ATOM 362 C GLN A 22 27.354 -23.072 7.331 1.00 22.11 C ATOM 363 O GLN A 22 27.584 -22.981 6.124 1.00 22.14 O ATOM 364 CB GLN A 22 25.084 -23.845 8.042 1.00 55.55 C ATOM 365 CG GLN A 22 24.217 -24.935 8.651 1.00 62.15 C ATOM 366 CD GLN A 22 23.783 -25.972 7.633 1.00 14.41 C ATOM 367 OE1 GLN A 22 24.578 -26.418 6.806 1.00 40.43 O ATOM 368 NE2 GLN A 22 22.514 -26.361 7.689 1.00 24.22 N ATOM 0 H GLN A 22 26.815 -24.109 9.964 1.00 32.43 H new ATOM 0 HA GLN A 22 26.623 -25.076 7.187 1.00 42.31 H new ATOM 0 HB2 GLN A 22 25.022 -22.953 8.665 1.00 55.55 H new ATOM 0 HB3 GLN A 22 24.684 -23.579 7.064 1.00 55.55 H new ATOM 0 HG2 GLN A 22 24.768 -25.427 9.453 1.00 62.15 H new ATOM 0 HG3 GLN A 22 23.334 -24.482 9.102 1.00 62.15 H new ATOM 0 HE21 GLN A 22 21.890 -25.965 8.391 1.00 24.22 H new ATOM 0 HE22 GLN A 22 22.164 -27.056 7.030 1.00 24.22 H new ATOM 377 N LEU A 23 27.777 -22.177 8.217 1.00 64.21 N ATOM 378 CA LEU A 23 28.554 -21.010 7.814 1.00 2.00 C ATOM 379 C LEU A 23 29.954 -21.416 7.364 1.00 20.24 C ATOM 380 O LEU A 23 30.384 -21.083 6.261 1.00 51.30 O ATOM 381 CB LEU A 23 28.647 -20.011 8.969 1.00 70.21 C ATOM 382 CG LEU A 23 27.352 -19.754 9.740 1.00 73.32 C ATOM 383 CD1 LEU A 23 27.641 -19.020 11.040 1.00 52.34 C ATOM 384 CD2 LEU A 23 26.370 -18.965 8.886 1.00 44.23 C ATOM 0 H LEU A 23 27.595 -22.237 9.219 1.00 64.21 H new ATOM 0 HA LEU A 23 28.045 -20.538 6.973 1.00 2.00 H new ATOM 0 HB2 LEU A 23 29.400 -20.368 9.672 1.00 70.21 H new ATOM 0 HB3 LEU A 23 29.005 -19.061 8.573 1.00 70.21 H new ATOM 0 HG LEU A 23 26.900 -20.716 9.983 1.00 73.32 H new ATOM 0 HD11 LEU A 23 26.707 -18.846 11.575 1.00 52.34 H new ATOM 0 HD12 LEU A 23 28.306 -19.623 11.658 1.00 52.34 H new ATOM 0 HD13 LEU A 23 28.117 -18.064 10.820 1.00 52.34 H new ATOM 0 HD21 LEU A 23 25.454 -18.791 9.451 1.00 44.23 H new ATOM 0 HD22 LEU A 23 26.814 -18.008 8.611 1.00 44.23 H new ATOM 0 HD23 LEU A 23 26.138 -19.530 7.983 1.00 44.23 H new ATOM 396 N GLY A 24 30.660 -22.141 8.227 1.00 44.20 N ATOM 397 CA GLY A 24 32.003 -22.583 7.900 1.00 43.34 C ATOM 398 C GLY A 24 32.970 -21.427 7.735 1.00 40.21 C ATOM 399 O GLY A 24 33.604 -20.997 8.699 1.00 61.13 O ATOM 0 H GLY A 24 30.326 -22.430 9.146 1.00 44.20 H new ATOM 0 HA2 GLY A 24 32.365 -23.246 8.685 1.00 43.34 H new ATOM 0 HA3 GLY A 24 31.976 -23.165 6.979 1.00 43.34 H new ATOM 403 N ARG A 25 33.085 -20.923 6.510 1.00 35.14 N ATOM 404 CA ARG A 25 33.983 -19.812 6.222 1.00 3.13 C ATOM 405 C ARG A 25 33.198 -18.571 5.807 1.00 62.22 C ATOM 406 O ARG A 25 33.726 -17.687 5.131 1.00 10.32 O ATOM 407 CB ARG A 25 34.969 -20.198 5.118 1.00 71.40 C ATOM 408 CG ARG A 25 36.018 -21.204 5.563 1.00 61.23 C ATOM 409 CD ARG A 25 37.056 -20.562 6.470 1.00 61.12 C ATOM 410 NE ARG A 25 38.021 -21.536 6.973 1.00 71.31 N ATOM 411 CZ ARG A 25 39.121 -21.204 7.640 1.00 72.43 C ATOM 412 NH1 ARG A 25 39.394 -19.930 7.882 1.00 14.25 N ATOM 413 NH2 ARG A 25 39.950 -22.148 8.066 1.00 63.55 N ATOM 0 H ARG A 25 32.567 -21.267 5.701 1.00 35.14 H new ATOM 0 HA ARG A 25 34.538 -19.582 7.131 1.00 3.13 H new ATOM 0 HB2 ARG A 25 34.415 -20.612 4.276 1.00 71.40 H new ATOM 0 HB3 ARG A 25 35.469 -19.299 4.759 1.00 71.40 H new ATOM 0 HG2 ARG A 25 35.534 -22.028 6.088 1.00 61.23 H new ATOM 0 HG3 ARG A 25 36.510 -21.629 4.688 1.00 61.23 H new ATOM 0 HD2 ARG A 25 37.582 -19.780 5.922 1.00 61.12 H new ATOM 0 HD3 ARG A 25 36.555 -20.081 7.310 1.00 61.12 H new ATOM 0 HE ARG A 25 37.841 -22.525 6.803 1.00 71.31 H new ATOM 0 HH11 ARG A 25 38.759 -19.201 7.556 1.00 14.25 H new ATOM 0 HH12 ARG A 25 40.239 -19.678 8.394 1.00 14.25 H new ATOM 0 HH21 ARG A 25 39.743 -23.130 7.882 1.00 63.55 H new ATOM 0 HH22 ARG A 25 40.794 -21.892 8.578 1.00 63.55 H new ATOM 427 N LEU A 26 31.935 -18.513 6.214 1.00 2.03 N ATOM 428 CA LEU A 26 31.076 -17.381 5.884 1.00 2.12 C ATOM 429 C LEU A 26 31.017 -16.387 7.040 1.00 70.21 C ATOM 430 O LEU A 26 31.251 -16.746 8.195 1.00 52.23 O ATOM 431 CB LEU A 26 29.667 -17.867 5.542 1.00 31.52 C ATOM 432 CG LEU A 26 29.331 -17.957 4.053 1.00 32.22 C ATOM 433 CD1 LEU A 26 28.586 -19.248 3.751 1.00 73.00 C ATOM 434 CD2 LEU A 26 28.511 -16.751 3.618 1.00 73.40 C ATOM 0 H LEU A 26 31.483 -19.236 6.773 1.00 2.03 H new ATOM 0 HA LEU A 26 31.500 -16.876 5.016 1.00 2.12 H new ATOM 0 HB2 LEU A 26 29.527 -18.853 5.986 1.00 31.52 H new ATOM 0 HB3 LEU A 26 28.949 -17.198 6.016 1.00 31.52 H new ATOM 0 HG LEU A 26 30.264 -17.960 3.489 1.00 32.22 H new ATOM 0 HD11 LEU A 26 28.355 -19.295 2.687 1.00 73.00 H new ATOM 0 HD12 LEU A 26 29.208 -20.100 4.025 1.00 73.00 H new ATOM 0 HD13 LEU A 26 27.660 -19.276 4.325 1.00 73.00 H new ATOM 0 HD21 LEU A 26 28.281 -16.832 2.556 1.00 73.40 H new ATOM 0 HD22 LEU A 26 27.583 -16.717 4.189 1.00 73.40 H new ATOM 0 HD23 LEU A 26 29.081 -15.839 3.798 1.00 73.40 H new ATOM 446 N THR A 27 30.700 -15.136 6.722 1.00 4.31 N ATOM 447 CA THR A 27 30.609 -14.090 7.733 1.00 30.12 C ATOM 448 C THR A 27 29.359 -13.240 7.534 1.00 21.40 C ATOM 449 O THR A 27 28.785 -13.208 6.445 1.00 41.13 O ATOM 450 CB THR A 27 31.848 -13.175 7.708 1.00 14.24 C ATOM 451 OG1 THR A 27 33.035 -13.961 7.563 1.00 23.43 O ATOM 452 CG2 THR A 27 31.934 -12.347 8.982 1.00 41.34 C ATOM 0 H THR A 27 30.502 -14.822 5.772 1.00 4.31 H new ATOM 0 HA THR A 27 30.555 -14.589 8.700 1.00 30.12 H new ATOM 0 HB THR A 27 31.756 -12.498 6.859 1.00 14.24 H new ATOM 0 HG1 THR A 27 33.818 -13.372 7.546 1.00 23.43 H new ATOM 0 HG21 THR A 27 32.817 -11.709 8.942 1.00 41.34 H new ATOM 0 HG22 THR A 27 31.042 -11.728 9.074 1.00 41.34 H new ATOM 0 HG23 THR A 27 32.005 -13.011 9.843 1.00 41.34 H new ATOM 460 N LEU A 28 28.942 -12.553 8.592 1.00 61.14 N ATOM 461 CA LEU A 28 27.759 -11.701 8.533 1.00 62.34 C ATOM 462 C LEU A 28 27.812 -10.779 7.319 1.00 64.02 C ATOM 463 O LEU A 28 26.821 -10.615 6.609 1.00 60.34 O ATOM 464 CB LEU A 28 27.639 -10.872 9.812 1.00 23.35 C ATOM 465 CG LEU A 28 26.260 -10.852 10.472 1.00 10.12 C ATOM 466 CD1 LEU A 28 26.386 -11.019 11.978 1.00 21.44 C ATOM 467 CD2 LEU A 28 25.527 -9.561 10.137 1.00 44.02 C ATOM 0 H LEU A 28 29.405 -12.569 9.501 1.00 61.14 H new ATOM 0 HA LEU A 28 26.883 -12.343 8.440 1.00 62.34 H new ATOM 0 HB2 LEU A 28 28.361 -11.251 10.536 1.00 23.35 H new ATOM 0 HB3 LEU A 28 27.925 -9.845 9.584 1.00 23.35 H new ATOM 0 HG LEU A 28 25.680 -11.688 10.082 1.00 10.12 H new ATOM 0 HD11 LEU A 28 25.394 -11.002 12.430 1.00 21.44 H new ATOM 0 HD12 LEU A 28 26.870 -11.970 12.199 1.00 21.44 H new ATOM 0 HD13 LEU A 28 26.984 -10.204 12.386 1.00 21.44 H new ATOM 0 HD21 LEU A 28 24.547 -9.564 10.615 1.00 44.02 H new ATOM 0 HD22 LEU A 28 26.105 -8.710 10.499 1.00 44.02 H new ATOM 0 HD23 LEU A 28 25.403 -9.483 9.057 1.00 44.02 H new ATOM 479 N GLU A 29 28.977 -10.181 7.087 1.00 72.02 N ATOM 480 CA GLU A 29 29.159 -9.276 5.958 1.00 74.53 C ATOM 481 C GLU A 29 28.924 -10.002 4.636 1.00 60.21 C ATOM 482 O GLU A 29 28.382 -9.431 3.690 1.00 30.31 O ATOM 483 CB GLU A 29 30.565 -8.675 5.979 1.00 2.30 C ATOM 484 CG GLU A 29 30.821 -7.686 4.854 1.00 4.12 C ATOM 485 CD GLU A 29 31.084 -6.281 5.361 1.00 60.01 C ATOM 486 OE1 GLU A 29 30.391 -5.851 6.307 1.00 61.54 O ATOM 487 OE2 GLU A 29 31.984 -5.611 4.811 1.00 35.31 O ATOM 0 H GLU A 29 29.808 -10.307 7.665 1.00 72.02 H new ATOM 0 HA GLU A 29 28.427 -8.473 6.047 1.00 74.53 H new ATOM 0 HB2 GLU A 29 30.723 -8.175 6.934 1.00 2.30 H new ATOM 0 HB3 GLU A 29 31.296 -9.481 5.917 1.00 2.30 H new ATOM 0 HG2 GLU A 29 31.676 -8.022 4.267 1.00 4.12 H new ATOM 0 HG3 GLU A 29 29.961 -7.672 4.185 1.00 4.12 H new ATOM 494 N MET A 30 29.337 -11.264 4.579 1.00 21.12 N ATOM 495 CA MET A 30 29.172 -12.068 3.374 1.00 34.51 C ATOM 496 C MET A 30 27.694 -12.290 3.067 1.00 50.32 C ATOM 497 O MET A 30 27.252 -12.105 1.933 1.00 20.02 O ATOM 498 CB MET A 30 29.879 -13.416 3.533 1.00 13.23 C ATOM 499 CG MET A 30 31.380 -13.294 3.741 1.00 54.44 C ATOM 500 SD MET A 30 32.323 -13.763 2.278 1.00 63.23 S ATOM 501 CE MET A 30 33.670 -14.679 3.023 1.00 31.22 C ATOM 0 H MET A 30 29.788 -11.752 5.353 1.00 21.12 H new ATOM 0 HA MET A 30 29.621 -11.526 2.542 1.00 34.51 H new ATOM 0 HB2 MET A 30 29.445 -13.947 4.380 1.00 13.23 H new ATOM 0 HB3 MET A 30 29.691 -14.022 2.647 1.00 13.23 H new ATOM 0 HG2 MET A 30 31.623 -12.266 4.012 1.00 54.44 H new ATOM 0 HG3 MET A 30 31.679 -13.924 4.579 1.00 54.44 H new ATOM 0 HE1 MET A 30 34.342 -15.036 2.243 1.00 31.22 H new ATOM 0 HE2 MET A 30 34.218 -14.029 3.705 1.00 31.22 H new ATOM 0 HE3 MET A 30 33.270 -15.530 3.575 1.00 31.22 H new ATOM 511 N MET A 31 26.936 -12.686 4.084 1.00 74.55 N ATOM 512 CA MET A 31 25.507 -12.932 3.921 1.00 43.21 C ATOM 513 C MET A 31 24.738 -11.618 3.818 1.00 64.43 C ATOM 514 O MET A 31 23.710 -11.542 3.147 1.00 43.33 O ATOM 515 CB MET A 31 24.973 -13.758 5.092 1.00 24.24 C ATOM 516 CG MET A 31 25.606 -15.136 5.202 1.00 31.13 C ATOM 517 SD MET A 31 24.985 -16.075 6.611 1.00 70.02 S ATOM 518 CE MET A 31 23.298 -16.383 6.095 1.00 15.22 C ATOM 0 H MET A 31 27.286 -12.843 5.029 1.00 74.55 H new ATOM 0 HA MET A 31 25.363 -13.491 2.996 1.00 43.21 H new ATOM 0 HB2 MET A 31 25.146 -13.212 6.020 1.00 24.24 H new ATOM 0 HB3 MET A 31 23.894 -13.870 4.985 1.00 24.24 H new ATOM 0 HG2 MET A 31 25.414 -15.694 4.285 1.00 31.13 H new ATOM 0 HG3 MET A 31 26.687 -15.029 5.290 1.00 31.13 H new ATOM 0 HE1 MET A 31 22.633 -16.293 6.954 1.00 15.22 H new ATOM 0 HE2 MET A 31 23.011 -15.656 5.335 1.00 15.22 H new ATOM 0 HE3 MET A 31 23.222 -17.389 5.681 1.00 15.22 H new ATOM 528 N ASN A 32 25.244 -10.588 4.487 1.00 0.34 N ATOM 529 CA ASN A 32 24.604 -9.278 4.471 1.00 14.52 C ATOM 530 C ASN A 32 24.520 -8.730 3.050 1.00 61.35 C ATOM 531 O ASN A 32 23.467 -8.267 2.614 1.00 51.32 O ATOM 532 CB ASN A 32 25.373 -8.300 5.362 1.00 51.33 C ATOM 533 CG ASN A 32 25.025 -6.853 5.067 1.00 24.20 C ATOM 534 OD1 ASN A 32 23.880 -6.432 5.233 1.00 65.13 O ATOM 535 ND2 ASN A 32 26.015 -6.085 4.627 1.00 2.12 N ATOM 0 H ASN A 32 26.095 -10.635 5.047 1.00 0.34 H new ATOM 0 HA ASN A 32 23.591 -9.392 4.858 1.00 14.52 H new ATOM 0 HB2 ASN A 32 25.155 -8.517 6.408 1.00 51.33 H new ATOM 0 HB3 ASN A 32 26.444 -8.449 5.221 1.00 51.33 H new ATOM 0 HD21 ASN A 32 25.842 -5.103 4.412 1.00 2.12 H new ATOM 0 HD22 ASN A 32 26.949 -6.477 4.504 1.00 2.12 H new ATOM 542 N GLU A 33 25.638 -8.789 2.332 1.00 12.31 N ATOM 543 CA GLU A 33 25.690 -8.299 0.960 1.00 43.42 C ATOM 544 C GLU A 33 25.013 -9.279 0.006 1.00 41.52 C ATOM 545 O GLU A 33 24.524 -8.890 -1.055 1.00 73.02 O ATOM 546 CB GLU A 33 27.141 -8.072 0.531 1.00 64.43 C ATOM 547 CG GLU A 33 27.884 -9.355 0.194 1.00 54.20 C ATOM 548 CD GLU A 33 28.013 -9.579 -1.300 1.00 51.11 C ATOM 549 OE1 GLU A 33 28.842 -8.892 -1.933 1.00 11.31 O ATOM 550 OE2 GLU A 33 27.286 -10.441 -1.837 1.00 13.44 O ATOM 0 H GLU A 33 26.518 -9.171 2.678 1.00 12.31 H new ATOM 0 HA GLU A 33 25.154 -7.351 0.919 1.00 43.42 H new ATOM 0 HB2 GLU A 33 27.155 -7.415 -0.338 1.00 64.43 H new ATOM 0 HB3 GLU A 33 27.671 -7.555 1.331 1.00 64.43 H new ATOM 0 HG2 GLU A 33 28.878 -9.323 0.640 1.00 54.20 H new ATOM 0 HG3 GLU A 33 27.362 -10.201 0.641 1.00 54.20 H new ATOM 557 N ILE A 34 24.990 -10.550 0.391 1.00 1.13 N ATOM 558 CA ILE A 34 24.373 -11.585 -0.429 1.00 21.13 C ATOM 559 C ILE A 34 22.853 -11.474 -0.403 1.00 15.53 C ATOM 560 O ILE A 34 22.205 -11.427 -1.448 1.00 74.35 O ATOM 561 CB ILE A 34 24.781 -12.994 0.042 1.00 44.42 C ATOM 562 CG1 ILE A 34 26.189 -13.332 -0.454 1.00 31.55 C ATOM 563 CG2 ILE A 34 23.778 -14.027 -0.448 1.00 63.24 C ATOM 564 CD1 ILE A 34 26.791 -14.545 0.221 1.00 71.44 C ATOM 0 H ILE A 34 25.391 -10.888 1.266 1.00 1.13 H new ATOM 0 HA ILE A 34 24.729 -11.434 -1.448 1.00 21.13 H new ATOM 0 HB ILE A 34 24.786 -13.011 1.132 1.00 44.42 H new ATOM 0 HG12 ILE A 34 26.155 -13.504 -1.530 1.00 31.55 H new ATOM 0 HG13 ILE A 34 26.840 -12.473 -0.289 1.00 31.55 H new ATOM 0 HG21 ILE A 34 24.080 -15.017 -0.107 1.00 63.24 H new ATOM 0 HG22 ILE A 34 22.790 -13.792 -0.051 1.00 63.24 H new ATOM 0 HG23 ILE A 34 23.744 -14.013 -1.537 1.00 63.24 H new ATOM 0 HD11 ILE A 34 27.789 -14.726 -0.179 1.00 71.44 H new ATOM 0 HD12 ILE A 34 26.857 -14.369 1.295 1.00 71.44 H new ATOM 0 HD13 ILE A 34 26.162 -15.415 0.034 1.00 71.44 H new ATOM 576 N VAL A 35 22.288 -11.429 0.800 1.00 3.21 N ATOM 577 CA VAL A 35 20.844 -11.319 0.963 1.00 34.33 C ATOM 578 C VAL A 35 20.334 -9.973 0.461 1.00 62.24 C ATOM 579 O VAL A 35 19.188 -9.854 0.028 1.00 41.12 O ATOM 580 CB VAL A 35 20.430 -11.495 2.437 1.00 43.54 C ATOM 581 CG1 VAL A 35 18.922 -11.658 2.553 1.00 45.53 C ATOM 582 CG2 VAL A 35 21.152 -12.682 3.054 1.00 24.44 C ATOM 0 H VAL A 35 22.809 -11.467 1.676 1.00 3.21 H new ATOM 0 HA VAL A 35 20.398 -12.117 0.370 1.00 34.33 H new ATOM 0 HB VAL A 35 20.717 -10.598 2.987 1.00 43.54 H new ATOM 0 HG11 VAL A 35 18.649 -11.781 3.601 1.00 45.53 H new ATOM 0 HG12 VAL A 35 18.428 -10.773 2.151 1.00 45.53 H new ATOM 0 HG13 VAL A 35 18.607 -12.537 1.990 1.00 45.53 H new ATOM 0 HG21 VAL A 35 20.848 -12.792 4.095 1.00 24.44 H new ATOM 0 HG22 VAL A 35 20.898 -13.588 2.504 1.00 24.44 H new ATOM 0 HG23 VAL A 35 22.229 -12.518 3.006 1.00 24.44 H new ATOM 592 N SER A 36 21.194 -8.961 0.520 1.00 22.44 N ATOM 593 CA SER A 36 20.830 -7.622 0.074 1.00 4.31 C ATOM 594 C SER A 36 20.742 -7.561 -1.448 1.00 21.32 C ATOM 595 O SER A 36 19.825 -6.958 -2.005 1.00 72.22 O ATOM 596 CB SER A 36 21.850 -6.599 0.578 1.00 5.11 C ATOM 597 OG SER A 36 22.075 -5.585 -0.386 1.00 41.02 O ATOM 0 H SER A 36 22.148 -9.043 0.872 1.00 22.44 H new ATOM 0 HA SER A 36 19.850 -7.382 0.487 1.00 4.31 H new ATOM 0 HB2 SER A 36 21.492 -6.151 1.505 1.00 5.11 H new ATOM 0 HB3 SER A 36 22.790 -7.101 0.808 1.00 5.11 H new ATOM 0 HG SER A 36 22.729 -4.943 -0.039 1.00 41.02 H new ATOM 603 N LYS A 37 21.703 -8.191 -2.115 1.00 60.22 N ATOM 604 CA LYS A 37 21.736 -8.212 -3.573 1.00 13.12 C ATOM 605 C LYS A 37 20.538 -8.972 -4.133 1.00 71.11 C ATOM 606 O LYS A 37 19.750 -8.426 -4.905 1.00 2.22 O ATOM 607 CB LYS A 37 23.035 -8.852 -4.065 1.00 65.22 C ATOM 608 CG LYS A 37 23.996 -7.865 -4.705 1.00 54.44 C ATOM 609 CD LYS A 37 23.378 -7.195 -5.922 1.00 24.51 C ATOM 610 CE LYS A 37 24.043 -5.860 -6.221 1.00 33.24 C ATOM 611 NZ LYS A 37 23.197 -4.712 -5.791 1.00 43.23 N ATOM 0 H LYS A 37 22.470 -8.694 -1.669 1.00 60.22 H new ATOM 0 HA LYS A 37 21.689 -7.182 -3.928 1.00 13.12 H new ATOM 0 HB2 LYS A 37 23.532 -9.337 -3.225 1.00 65.22 H new ATOM 0 HB3 LYS A 37 22.795 -9.632 -4.787 1.00 65.22 H new ATOM 0 HG2 LYS A 37 24.280 -7.106 -3.975 1.00 54.44 H new ATOM 0 HG3 LYS A 37 24.909 -8.383 -4.998 1.00 54.44 H new ATOM 0 HD2 LYS A 37 23.472 -7.851 -6.787 1.00 24.51 H new ATOM 0 HD3 LYS A 37 22.312 -7.042 -5.752 1.00 24.51 H new ATOM 0 HE2 LYS A 37 25.006 -5.812 -5.713 1.00 33.24 H new ATOM 0 HE3 LYS A 37 24.242 -5.784 -7.290 1.00 33.24 H new ATOM 0 HZ1 LYS A 37 23.684 -3.820 -6.012 1.00 43.23 H new ATOM 0 HZ2 LYS A 37 22.287 -4.743 -6.294 1.00 43.23 H new ATOM 0 HZ3 LYS A 37 23.028 -4.770 -4.766 1.00 43.23 H new ATOM 625 N MET A 38 20.407 -10.234 -3.738 1.00 73.45 N ATOM 626 CA MET A 38 19.303 -11.068 -4.200 1.00 33.11 C ATOM 627 C MET A 38 17.963 -10.386 -3.944 1.00 55.24 C ATOM 628 O MET A 38 17.068 -10.417 -4.790 1.00 45.42 O ATOM 629 CB MET A 38 19.337 -12.429 -3.502 1.00 13.13 C ATOM 630 CG MET A 38 19.548 -12.336 -1.999 1.00 51.03 C ATOM 631 SD MET A 38 18.215 -13.107 -1.061 1.00 60.45 S ATOM 632 CE MET A 38 18.248 -14.769 -1.731 1.00 14.54 C ATOM 0 H MET A 38 21.051 -10.701 -3.100 1.00 73.45 H new ATOM 0 HA MET A 38 19.417 -11.216 -5.274 1.00 33.11 H new ATOM 0 HB2 MET A 38 18.401 -12.952 -3.698 1.00 13.13 H new ATOM 0 HB3 MET A 38 20.135 -13.031 -3.936 1.00 13.13 H new ATOM 0 HG2 MET A 38 20.493 -12.813 -1.739 1.00 51.03 H new ATOM 0 HG3 MET A 38 19.630 -11.288 -1.712 1.00 51.03 H new ATOM 0 HE1 MET A 38 17.290 -14.990 -2.202 1.00 14.54 H new ATOM 0 HE2 MET A 38 19.043 -14.847 -2.472 1.00 14.54 H new ATOM 0 HE3 MET A 38 18.430 -15.482 -0.927 1.00 14.54 H new ATOM 642 N ASP A 39 17.830 -9.771 -2.774 1.00 63.31 N ATOM 643 CA ASP A 39 16.599 -9.081 -2.408 1.00 2.31 C ATOM 644 C ASP A 39 16.344 -7.897 -3.335 1.00 52.42 C ATOM 645 O ASP A 39 15.196 -7.538 -3.599 1.00 31.13 O ATOM 646 CB ASP A 39 16.670 -8.602 -0.957 1.00 32.31 C ATOM 647 CG ASP A 39 15.384 -7.939 -0.503 1.00 24.02 C ATOM 648 OD1 ASP A 39 14.337 -8.177 -1.140 1.00 14.33 O ATOM 649 OD2 ASP A 39 15.426 -7.183 0.490 1.00 21.01 O ATOM 0 H ASP A 39 18.560 -9.736 -2.063 1.00 63.31 H new ATOM 0 HA ASP A 39 15.773 -9.785 -2.510 1.00 2.31 H new ATOM 0 HB2 ASP A 39 16.887 -9.450 -0.308 1.00 32.31 H new ATOM 0 HB3 ASP A 39 17.496 -7.899 -0.850 1.00 32.31 H new ATOM 654 N ASP A 40 17.421 -7.293 -3.826 1.00 32.13 N ATOM 655 CA ASP A 40 17.314 -6.149 -4.724 1.00 12.04 C ATOM 656 C ASP A 40 16.688 -6.558 -6.053 1.00 71.42 C ATOM 657 O ASP A 40 15.752 -5.919 -6.534 1.00 44.51 O ATOM 658 CB ASP A 40 18.692 -5.531 -4.963 1.00 62.14 C ATOM 659 CG ASP A 40 18.627 -4.290 -5.832 1.00 2.03 C ATOM 660 OD1 ASP A 40 18.462 -3.185 -5.275 1.00 13.23 O ATOM 661 OD2 ASP A 40 18.741 -4.424 -7.068 1.00 51.13 O ATOM 0 H ASP A 40 18.378 -7.577 -3.617 1.00 32.13 H new ATOM 0 HA ASP A 40 16.669 -5.407 -4.253 1.00 12.04 H new ATOM 0 HB2 ASP A 40 19.144 -5.277 -4.004 1.00 62.14 H new ATOM 0 HB3 ASP A 40 19.341 -6.268 -5.436 1.00 62.14 H new ATOM 666 N PHE A 41 17.211 -7.628 -6.643 1.00 60.12 N ATOM 667 CA PHE A 41 16.705 -8.122 -7.919 1.00 1.14 C ATOM 668 C PHE A 41 15.249 -8.562 -7.793 1.00 5.14 C ATOM 669 O PHE A 41 14.397 -8.162 -8.587 1.00 30.12 O ATOM 670 CB PHE A 41 17.562 -9.289 -8.414 1.00 35.24 C ATOM 671 CG PHE A 41 17.844 -9.242 -9.888 1.00 61.31 C ATOM 672 CD1 PHE A 41 16.845 -8.908 -10.788 1.00 71.00 C ATOM 673 CD2 PHE A 41 19.109 -9.532 -10.374 1.00 52.01 C ATOM 674 CE1 PHE A 41 17.102 -8.865 -12.145 1.00 42.02 C ATOM 675 CE2 PHE A 41 19.372 -9.490 -11.730 1.00 61.24 C ATOM 676 CZ PHE A 41 18.368 -9.155 -12.617 1.00 34.21 C ATOM 0 H PHE A 41 17.985 -8.170 -6.258 1.00 60.12 H new ATOM 0 HA PHE A 41 16.759 -7.309 -8.643 1.00 1.14 H new ATOM 0 HB2 PHE A 41 18.507 -9.291 -7.871 1.00 35.24 H new ATOM 0 HB3 PHE A 41 17.057 -10.226 -8.178 1.00 35.24 H new ATOM 0 HD1 PHE A 41 15.854 -8.679 -10.425 1.00 71.00 H new ATOM 0 HD2 PHE A 41 19.898 -9.794 -9.685 1.00 52.01 H new ATOM 0 HE1 PHE A 41 16.314 -8.605 -12.836 1.00 42.02 H new ATOM 0 HE2 PHE A 41 20.362 -9.719 -12.096 1.00 61.24 H new ATOM 0 HZ PHE A 41 18.572 -9.120 -13.677 1.00 34.21 H new ATOM 686 N LEU A 42 14.972 -9.388 -6.790 1.00 2.01 N ATOM 687 CA LEU A 42 13.620 -9.884 -6.559 1.00 11.02 C ATOM 688 C LEU A 42 12.669 -8.739 -6.225 1.00 44.43 C ATOM 689 O LEU A 42 11.474 -8.808 -6.510 1.00 21.44 O ATOM 690 CB LEU A 42 13.619 -10.910 -5.424 1.00 13.31 C ATOM 691 CG LEU A 42 12.960 -12.254 -5.735 1.00 64.21 C ATOM 692 CD1 LEU A 42 11.446 -12.114 -5.761 1.00 44.01 C ATOM 693 CD2 LEU A 42 13.470 -12.804 -7.060 1.00 12.44 C ATOM 0 H LEU A 42 15.666 -9.728 -6.124 1.00 2.01 H new ATOM 0 HA LEU A 42 13.274 -10.363 -7.475 1.00 11.02 H new ATOM 0 HB2 LEU A 42 14.651 -11.094 -5.127 1.00 13.31 H new ATOM 0 HB3 LEU A 42 13.113 -10.470 -4.564 1.00 13.31 H new ATOM 0 HG LEU A 42 13.225 -12.958 -4.946 1.00 64.21 H new ATOM 0 HD11 LEU A 42 10.995 -13.081 -5.984 1.00 44.01 H new ATOM 0 HD12 LEU A 42 11.096 -11.766 -4.789 1.00 44.01 H new ATOM 0 HD13 LEU A 42 11.160 -11.395 -6.529 1.00 44.01 H new ATOM 0 HD21 LEU A 42 12.990 -13.761 -7.265 1.00 12.44 H new ATOM 0 HD22 LEU A 42 13.236 -12.102 -7.860 1.00 12.44 H new ATOM 0 HD23 LEU A 42 14.550 -12.944 -7.005 1.00 12.44 H new ATOM 705 N MET A 43 13.210 -7.684 -5.623 1.00 33.53 N ATOM 706 CA MET A 43 12.410 -6.522 -5.254 1.00 33.31 C ATOM 707 C MET A 43 11.913 -5.788 -6.495 1.00 43.03 C ATOM 708 O MET A 43 10.770 -5.335 -6.546 1.00 14.25 O ATOM 709 CB MET A 43 13.227 -5.571 -4.377 1.00 71.33 C ATOM 710 CG MET A 43 12.507 -4.272 -4.056 1.00 2.42 C ATOM 711 SD MET A 43 13.503 -3.157 -3.047 1.00 62.31 S ATOM 712 CE MET A 43 14.339 -2.208 -4.316 1.00 33.04 C ATOM 0 H MET A 43 14.198 -7.610 -5.381 1.00 33.53 H new ATOM 0 HA MET A 43 11.545 -6.872 -4.690 1.00 33.31 H new ATOM 0 HB2 MET A 43 13.480 -6.076 -3.445 1.00 71.33 H new ATOM 0 HB3 MET A 43 14.166 -5.342 -4.881 1.00 71.33 H new ATOM 0 HG2 MET A 43 12.237 -3.771 -4.986 1.00 2.42 H new ATOM 0 HG3 MET A 43 11.577 -4.496 -3.533 1.00 2.42 H new ATOM 0 HE1 MET A 43 14.994 -1.473 -3.848 1.00 33.04 H new ATOM 0 HE2 MET A 43 14.931 -2.877 -4.940 1.00 33.04 H new ATOM 0 HE3 MET A 43 13.601 -1.695 -4.933 1.00 33.04 H new ATOM 722 N LYS A 44 12.780 -5.673 -7.496 1.00 22.33 N ATOM 723 CA LYS A 44 12.430 -4.995 -8.738 1.00 43.10 C ATOM 724 C LYS A 44 11.425 -5.814 -9.541 1.00 32.22 C ATOM 725 O LYS A 44 10.545 -5.262 -10.202 1.00 61.21 O ATOM 726 CB LYS A 44 13.685 -4.744 -9.577 1.00 3.30 C ATOM 727 CG LYS A 44 13.940 -5.813 -10.625 1.00 42.02 C ATOM 728 CD LYS A 44 15.371 -5.765 -11.134 1.00 61.11 C ATOM 729 CE LYS A 44 15.677 -4.440 -11.815 1.00 14.43 C ATOM 730 NZ LYS A 44 14.644 -4.085 -12.827 1.00 52.02 N ATOM 0 H LYS A 44 13.731 -6.041 -7.471 1.00 22.33 H new ATOM 0 HA LYS A 44 11.972 -4.039 -8.484 1.00 43.10 H new ATOM 0 HB2 LYS A 44 13.594 -3.777 -10.071 1.00 3.30 H new ATOM 0 HB3 LYS A 44 14.548 -4.683 -8.915 1.00 3.30 H new ATOM 0 HG2 LYS A 44 13.737 -6.796 -10.200 1.00 42.02 H new ATOM 0 HG3 LYS A 44 13.251 -5.678 -11.459 1.00 42.02 H new ATOM 0 HD2 LYS A 44 16.059 -5.915 -10.302 1.00 61.11 H new ATOM 0 HD3 LYS A 44 15.536 -6.583 -11.836 1.00 61.11 H new ATOM 0 HE2 LYS A 44 15.737 -3.651 -11.065 1.00 14.43 H new ATOM 0 HE3 LYS A 44 16.653 -4.496 -12.297 1.00 14.43 H new ATOM 0 HZ1 LYS A 44 15.106 -3.689 -13.670 1.00 52.02 H new ATOM 0 HZ2 LYS A 44 14.111 -4.938 -13.093 1.00 52.02 H new ATOM 0 HZ3 LYS A 44 13.993 -3.381 -12.426 1.00 52.02 H new ATOM 744 N LYS A 45 11.560 -7.135 -9.478 1.00 13.42 N ATOM 745 CA LYS A 45 10.662 -8.031 -10.196 1.00 71.12 C ATOM 746 C LYS A 45 9.235 -7.908 -9.671 1.00 40.54 C ATOM 747 O LYS A 45 8.299 -7.682 -10.438 1.00 71.43 O ATOM 748 CB LYS A 45 11.141 -9.479 -10.066 1.00 2.45 C ATOM 749 CG LYS A 45 10.141 -10.499 -10.580 1.00 61.24 C ATOM 750 CD LYS A 45 10.142 -10.564 -12.098 1.00 63.45 C ATOM 751 CE LYS A 45 9.107 -11.552 -12.615 1.00 12.33 C ATOM 752 NZ LYS A 45 9.720 -12.859 -12.980 1.00 1.42 N ATOM 0 H LYS A 45 12.283 -7.608 -8.937 1.00 13.42 H new ATOM 0 HA LYS A 45 10.669 -7.745 -11.248 1.00 71.12 H new ATOM 0 HB2 LYS A 45 12.077 -9.593 -10.612 1.00 2.45 H new ATOM 0 HB3 LYS A 45 11.356 -9.689 -9.018 1.00 2.45 H new ATOM 0 HG2 LYS A 45 10.380 -11.481 -10.173 1.00 61.24 H new ATOM 0 HG3 LYS A 45 9.143 -10.241 -10.226 1.00 61.24 H new ATOM 0 HD2 LYS A 45 9.937 -9.574 -12.506 1.00 63.45 H new ATOM 0 HD3 LYS A 45 11.132 -10.855 -12.450 1.00 63.45 H new ATOM 0 HE2 LYS A 45 8.343 -11.709 -11.853 1.00 12.33 H new ATOM 0 HE3 LYS A 45 8.606 -11.130 -13.486 1.00 12.33 H new ATOM 0 HZ1 LYS A 45 9.535 -13.061 -13.983 1.00 1.42 H new ATOM 0 HZ2 LYS A 45 10.747 -12.818 -12.819 1.00 1.42 H new ATOM 0 HZ3 LYS A 45 9.307 -13.612 -12.393 1.00 1.42 H new ATOM 766 N SER A 46 9.077 -8.055 -8.360 1.00 12.11 N ATOM 767 CA SER A 46 7.763 -7.962 -7.733 1.00 64.02 C ATOM 768 C SER A 46 7.160 -6.576 -7.939 1.00 71.14 C ATOM 769 O SER A 46 5.940 -6.413 -7.953 1.00 54.25 O ATOM 770 CB SER A 46 7.866 -8.269 -6.238 1.00 14.11 C ATOM 771 OG SER A 46 8.630 -7.283 -5.566 1.00 10.20 O ATOM 0 H SER A 46 9.842 -8.239 -7.711 1.00 12.11 H new ATOM 0 HA SER A 46 7.110 -8.697 -8.204 1.00 64.02 H new ATOM 0 HB2 SER A 46 6.867 -8.318 -5.804 1.00 14.11 H new ATOM 0 HB3 SER A 46 8.324 -9.248 -6.095 1.00 14.11 H new ATOM 0 HG SER A 46 9.206 -6.821 -6.210 1.00 10.20 H new ATOM 777 N LYS A 47 8.024 -5.579 -8.099 1.00 71.41 N ATOM 778 CA LYS A 47 7.579 -4.206 -8.306 1.00 21.30 C ATOM 779 C LYS A 47 7.004 -4.026 -9.707 1.00 43.13 C ATOM 780 O LYS A 47 6.131 -3.186 -9.926 1.00 51.14 O ATOM 781 CB LYS A 47 8.741 -3.234 -8.091 1.00 22.02 C ATOM 782 CG LYS A 47 9.270 -2.624 -9.377 1.00 63.44 C ATOM 783 CD LYS A 47 8.436 -1.432 -9.814 1.00 2.45 C ATOM 784 CE LYS A 47 9.291 -0.184 -9.977 1.00 15.21 C ATOM 785 NZ LYS A 47 9.834 -0.060 -11.358 1.00 75.30 N ATOM 0 H LYS A 47 9.037 -5.697 -8.089 1.00 71.41 H new ATOM 0 HA LYS A 47 6.795 -3.991 -7.580 1.00 21.30 H new ATOM 0 HB2 LYS A 47 8.416 -2.434 -7.426 1.00 22.02 H new ATOM 0 HB3 LYS A 47 9.553 -3.758 -7.586 1.00 22.02 H new ATOM 0 HG2 LYS A 47 10.305 -2.312 -9.234 1.00 63.44 H new ATOM 0 HG3 LYS A 47 9.270 -3.377 -10.165 1.00 63.44 H new ATOM 0 HD2 LYS A 47 7.939 -1.660 -10.757 1.00 2.45 H new ATOM 0 HD3 LYS A 47 7.653 -1.245 -9.079 1.00 2.45 H new ATOM 0 HE2 LYS A 47 8.695 0.698 -9.741 1.00 15.21 H new ATOM 0 HE3 LYS A 47 10.115 -0.213 -9.264 1.00 15.21 H new ATOM 0 HZ1 LYS A 47 10.411 0.803 -11.428 1.00 75.30 H new ATOM 0 HZ2 LYS A 47 10.423 -0.889 -11.575 1.00 75.30 H new ATOM 0 HZ3 LYS A 47 9.048 -0.007 -12.037 1.00 75.30 H new ATOM 799 N ILE A 48 7.499 -4.820 -10.651 1.00 55.33 N ATOM 800 CA ILE A 48 7.032 -4.748 -12.030 1.00 75.52 C ATOM 801 C ILE A 48 5.706 -5.482 -12.200 1.00 74.21 C ATOM 802 O ILE A 48 4.872 -5.098 -13.021 1.00 73.34 O ATOM 803 CB ILE A 48 8.064 -5.344 -13.006 1.00 32.34 C ATOM 804 CG1 ILE A 48 9.319 -4.470 -13.051 1.00 73.11 C ATOM 805 CG2 ILE A 48 7.460 -5.486 -14.395 1.00 14.13 C ATOM 806 CD1 ILE A 48 10.608 -5.261 -13.021 1.00 74.31 C ATOM 0 H ILE A 48 8.223 -5.520 -10.486 1.00 55.33 H new ATOM 0 HA ILE A 48 6.893 -3.692 -12.261 1.00 75.52 H new ATOM 0 HB ILE A 48 8.347 -6.335 -12.652 1.00 32.34 H new ATOM 0 HG12 ILE A 48 9.296 -3.862 -13.955 1.00 73.11 H new ATOM 0 HG13 ILE A 48 9.304 -3.783 -12.205 1.00 73.11 H new ATOM 0 HG21 ILE A 48 8.202 -5.908 -15.073 1.00 14.13 H new ATOM 0 HG22 ILE A 48 6.593 -6.145 -14.349 1.00 14.13 H new ATOM 0 HG23 ILE A 48 7.152 -4.506 -14.760 1.00 14.13 H new ATOM 0 HD11 ILE A 48 11.456 -4.577 -13.056 1.00 74.31 H new ATOM 0 HD12 ILE A 48 10.653 -5.848 -12.104 1.00 74.31 H new ATOM 0 HD13 ILE A 48 10.645 -5.929 -13.882 1.00 74.31 H new ATOM 818 N LEU A 49 5.516 -6.539 -11.418 1.00 1.14 N ATOM 819 CA LEU A 49 4.290 -7.327 -11.479 1.00 52.44 C ATOM 820 C LEU A 49 3.085 -6.492 -11.057 1.00 72.14 C ATOM 821 O LEU A 49 1.943 -6.834 -11.362 1.00 51.54 O ATOM 822 CB LEU A 49 4.408 -8.562 -10.584 1.00 50.55 C ATOM 823 CG LEU A 49 5.736 -9.316 -10.653 1.00 44.42 C ATOM 824 CD1 LEU A 49 5.583 -10.719 -10.088 1.00 63.21 C ATOM 825 CD2 LEU A 49 6.246 -9.368 -12.086 1.00 63.20 C ATOM 0 H LEU A 49 6.196 -6.870 -10.734 1.00 1.14 H new ATOM 0 HA LEU A 49 4.144 -7.647 -12.511 1.00 52.44 H new ATOM 0 HB2 LEU A 49 4.241 -8.255 -9.552 1.00 50.55 H new ATOM 0 HB3 LEU A 49 3.607 -9.253 -10.845 1.00 50.55 H new ATOM 0 HG LEU A 49 6.468 -8.781 -10.048 1.00 44.42 H new ATOM 0 HD11 LEU A 49 6.538 -11.241 -10.145 1.00 63.21 H new ATOM 0 HD12 LEU A 49 5.264 -10.659 -9.047 1.00 63.21 H new ATOM 0 HD13 LEU A 49 4.837 -11.264 -10.666 1.00 63.21 H new ATOM 0 HD21 LEU A 49 7.192 -9.908 -12.116 1.00 63.20 H new ATOM 0 HD22 LEU A 49 5.516 -9.879 -12.714 1.00 63.20 H new ATOM 0 HD23 LEU A 49 6.396 -8.354 -12.456 1.00 63.20 H new ATOM 837 N GLY A 50 3.348 -5.394 -10.355 1.00 22.20 N ATOM 838 CA GLY A 50 2.276 -4.527 -9.904 1.00 54.34 C ATOM 839 C GLY A 50 2.209 -3.232 -10.689 1.00 52.33 C ATOM 840 O GLY A 50 1.124 -2.714 -10.957 1.00 43.01 O ATOM 0 H GLY A 50 4.285 -5.090 -10.091 1.00 22.20 H new ATOM 0 HA2 GLY A 50 1.325 -5.053 -9.994 1.00 54.34 H new ATOM 0 HA3 GLY A 50 2.416 -4.301 -8.847 1.00 54.34 H new ATOM 844 N LYS A 51 3.371 -2.705 -11.058 1.00 44.14 N ATOM 845 CA LYS A 51 3.442 -1.462 -11.817 1.00 3.30 C ATOM 846 C LYS A 51 2.672 -1.580 -13.128 1.00 53.31 C ATOM 847 O LYS A 51 2.070 -2.615 -13.416 1.00 42.03 O ATOM 848 CB LYS A 51 4.901 -1.096 -12.101 1.00 71.25 C ATOM 849 CG LYS A 51 5.321 0.237 -11.507 1.00 31.11 C ATOM 850 CD LYS A 51 5.176 0.243 -9.994 1.00 43.23 C ATOM 851 CE LYS A 51 5.332 1.645 -9.425 1.00 51.13 C ATOM 852 NZ LYS A 51 6.660 2.233 -9.754 1.00 22.21 N ATOM 0 H LYS A 51 4.278 -3.120 -10.844 1.00 44.14 H new ATOM 0 HA LYS A 51 2.986 -0.674 -11.218 1.00 3.30 H new ATOM 0 HB2 LYS A 51 5.547 -1.880 -11.706 1.00 71.25 H new ATOM 0 HB3 LYS A 51 5.057 -1.069 -13.180 1.00 71.25 H new ATOM 0 HG2 LYS A 51 6.357 0.446 -11.775 1.00 31.11 H new ATOM 0 HG3 LYS A 51 4.714 1.035 -11.935 1.00 31.11 H new ATOM 0 HD2 LYS A 51 4.199 -0.156 -9.719 1.00 43.23 H new ATOM 0 HD3 LYS A 51 5.925 -0.415 -9.553 1.00 43.23 H new ATOM 0 HE2 LYS A 51 4.543 2.286 -9.819 1.00 51.13 H new ATOM 0 HE3 LYS A 51 5.207 1.614 -8.343 1.00 51.13 H new ATOM 0 HZ1 LYS A 51 6.545 3.239 -9.992 1.00 22.21 H new ATOM 0 HZ2 LYS A 51 7.293 2.141 -8.934 1.00 22.21 H new ATOM 0 HZ3 LYS A 51 7.071 1.730 -10.566 1.00 22.21 H new ATOM 866 N THR A 52 2.695 -0.513 -13.921 1.00 53.21 N ATOM 867 CA THR A 52 1.999 -0.497 -15.202 1.00 31.15 C ATOM 868 C THR A 52 2.944 -0.121 -16.337 1.00 25.14 C ATOM 869 O THR A 52 4.099 0.234 -16.103 1.00 60.52 O ATOM 870 CB THR A 52 0.816 0.489 -15.186 1.00 10.40 C ATOM 871 OG1 THR A 52 0.034 0.336 -16.376 1.00 24.00 O ATOM 872 CG2 THR A 52 1.309 1.924 -15.079 1.00 4.42 C ATOM 0 H THR A 52 3.188 0.352 -13.698 1.00 53.21 H new ATOM 0 HA THR A 52 1.620 -1.505 -15.368 1.00 31.15 H new ATOM 0 HB THR A 52 0.199 0.267 -14.315 1.00 10.40 H new ATOM 0 HG1 THR A 52 -0.717 0.965 -16.357 1.00 24.00 H new ATOM 0 HG21 THR A 52 0.456 2.602 -15.070 1.00 4.42 H new ATOM 0 HG22 THR A 52 1.879 2.045 -14.158 1.00 4.42 H new ATOM 0 HG23 THR A 52 1.946 2.154 -15.933 1.00 4.42 H new ATOM 880 N ASN A 53 2.446 -0.201 -17.566 1.00 45.43 N ATOM 881 CA ASN A 53 3.248 0.132 -18.738 1.00 61.14 C ATOM 882 C ASN A 53 3.799 1.551 -18.636 1.00 54.12 C ATOM 883 O ASN A 53 4.833 1.872 -19.223 1.00 35.13 O ATOM 884 CB ASN A 53 2.412 -0.012 -20.012 1.00 32.35 C ATOM 885 CG ASN A 53 1.368 1.080 -20.144 1.00 73.52 C ATOM 886 OD1 ASN A 53 1.606 2.108 -20.777 1.00 4.54 O ATOM 887 ND2 ASN A 53 0.203 0.859 -19.546 1.00 54.53 N ATOM 0 H ASN A 53 1.492 -0.493 -17.777 1.00 45.43 H new ATOM 0 HA ASN A 53 4.087 -0.562 -18.781 1.00 61.14 H new ATOM 0 HB2 ASN A 53 3.071 0.012 -20.880 1.00 32.35 H new ATOM 0 HB3 ASN A 53 1.919 -0.984 -20.012 1.00 32.35 H new ATOM 0 HD21 ASN A 53 -0.539 1.557 -19.601 1.00 54.53 H new ATOM 0 HD22 ASN A 53 0.050 -0.009 -19.032 1.00 54.53 H new ATOM 894 N LYS A 54 3.101 2.398 -17.887 1.00 31.23 N ATOM 895 CA LYS A 54 3.519 3.783 -17.705 1.00 22.33 C ATOM 896 C LYS A 54 4.842 3.857 -16.948 1.00 74.32 C ATOM 897 O LYS A 54 5.722 4.644 -17.295 1.00 74.14 O ATOM 898 CB LYS A 54 2.443 4.567 -16.950 1.00 42.02 C ATOM 899 CG LYS A 54 1.074 4.507 -17.606 1.00 24.43 C ATOM 900 CD LYS A 54 0.025 5.221 -16.771 1.00 54.24 C ATOM 901 CE LYS A 54 0.247 6.726 -16.765 1.00 24.24 C ATOM 902 NZ LYS A 54 -0.977 7.466 -16.350 1.00 64.14 N ATOM 0 H LYS A 54 2.242 2.149 -17.396 1.00 31.23 H new ATOM 0 HA LYS A 54 3.659 4.227 -18.691 1.00 22.33 H new ATOM 0 HB2 LYS A 54 2.367 4.178 -15.934 1.00 42.02 H new ATOM 0 HB3 LYS A 54 2.753 5.609 -16.870 1.00 42.02 H new ATOM 0 HG2 LYS A 54 1.123 4.961 -18.596 1.00 24.43 H new ATOM 0 HG3 LYS A 54 0.782 3.466 -17.747 1.00 24.43 H new ATOM 0 HD2 LYS A 54 -0.967 5.000 -17.165 1.00 54.24 H new ATOM 0 HD3 LYS A 54 0.054 4.844 -15.749 1.00 54.24 H new ATOM 0 HE2 LYS A 54 1.066 6.970 -16.088 1.00 24.24 H new ATOM 0 HE3 LYS A 54 0.549 7.052 -17.760 1.00 24.24 H new ATOM 0 HZ1 LYS A 54 -0.785 8.488 -16.359 1.00 64.14 H new ATOM 0 HZ2 LYS A 54 -1.752 7.254 -17.011 1.00 64.14 H new ATOM 0 HZ3 LYS A 54 -1.251 7.174 -15.390 1.00 64.14 H new ATOM 916 N GLN A 55 4.974 3.031 -15.915 1.00 1.31 N ATOM 917 CA GLN A 55 6.190 3.004 -15.111 1.00 21.12 C ATOM 918 C GLN A 55 7.259 2.139 -15.770 1.00 45.34 C ATOM 919 O GLN A 55 8.451 2.446 -15.701 1.00 75.21 O ATOM 920 CB GLN A 55 5.887 2.478 -13.707 1.00 34.11 C ATOM 921 CG GLN A 55 5.457 3.561 -12.731 1.00 10.30 C ATOM 922 CD GLN A 55 6.511 4.636 -12.551 1.00 52.23 C ATOM 923 OE1 GLN A 55 7.703 4.343 -12.456 1.00 10.25 O ATOM 924 NE2 GLN A 55 6.076 5.890 -12.505 1.00 10.01 N ATOM 0 H GLN A 55 4.255 2.373 -15.616 1.00 1.31 H new ATOM 0 HA GLN A 55 6.568 4.024 -15.036 1.00 21.12 H new ATOM 0 HB2 GLN A 55 5.101 1.726 -13.772 1.00 34.11 H new ATOM 0 HB3 GLN A 55 6.774 1.979 -13.316 1.00 34.11 H new ATOM 0 HG2 GLN A 55 4.534 4.019 -13.086 1.00 10.30 H new ATOM 0 HG3 GLN A 55 5.237 3.107 -11.765 1.00 10.30 H new ATOM 0 HE21 GLN A 55 5.079 6.087 -12.588 1.00 10.01 H new ATOM 0 HE22 GLN A 55 6.739 6.656 -12.387 1.00 10.01 H new ATOM 933 N LEU A 56 6.827 1.058 -16.410 1.00 25.14 N ATOM 934 CA LEU A 56 7.748 0.148 -17.082 1.00 61.21 C ATOM 935 C LEU A 56 8.704 0.914 -17.992 1.00 33.45 C ATOM 936 O LEU A 56 8.280 1.738 -18.802 1.00 44.24 O ATOM 937 CB LEU A 56 6.970 -0.887 -17.897 1.00 14.42 C ATOM 938 CG LEU A 56 7.753 -1.602 -18.998 1.00 3.21 C ATOM 939 CD1 LEU A 56 7.258 -3.030 -19.164 1.00 22.11 C ATOM 940 CD2 LEU A 56 7.643 -0.841 -20.311 1.00 73.13 C ATOM 0 H LEU A 56 5.845 0.790 -16.478 1.00 25.14 H new ATOM 0 HA LEU A 56 8.334 -0.365 -16.319 1.00 61.21 H new ATOM 0 HB2 LEU A 56 6.577 -1.638 -17.212 1.00 14.42 H new ATOM 0 HB3 LEU A 56 6.113 -0.391 -18.352 1.00 14.42 H new ATOM 0 HG LEU A 56 8.803 -1.635 -18.707 1.00 3.21 H new ATOM 0 HD11 LEU A 56 7.827 -3.523 -19.952 1.00 22.11 H new ATOM 0 HD12 LEU A 56 7.390 -3.572 -18.228 1.00 22.11 H new ATOM 0 HD13 LEU A 56 6.201 -3.020 -19.431 1.00 22.11 H new ATOM 0 HD21 LEU A 56 8.207 -1.365 -21.083 1.00 73.13 H new ATOM 0 HD22 LEU A 56 6.596 -0.776 -20.607 1.00 73.13 H new ATOM 0 HD23 LEU A 56 8.048 0.163 -20.185 1.00 73.13 H new ATOM 952 N THR A 57 9.996 0.634 -17.853 1.00 1.10 N ATOM 953 CA THR A 57 11.012 1.295 -18.662 1.00 41.21 C ATOM 954 C THR A 57 11.922 0.278 -19.341 1.00 40.01 C ATOM 955 O THR A 57 11.683 -0.928 -19.270 1.00 1.44 O ATOM 956 CB THR A 57 11.872 2.251 -17.813 1.00 62.45 C ATOM 957 OG1 THR A 57 11.368 2.305 -16.474 1.00 62.52 O ATOM 958 CG2 THR A 57 11.881 3.648 -18.414 1.00 4.20 C ATOM 0 H THR A 57 10.363 -0.046 -17.188 1.00 1.10 H new ATOM 0 HA THR A 57 10.485 1.871 -19.423 1.00 41.21 H new ATOM 0 HB THR A 57 12.894 1.871 -17.801 1.00 62.45 H new ATOM 0 HG1 THR A 57 11.921 2.913 -15.941 1.00 62.52 H new ATOM 0 HG21 THR A 57 12.494 4.305 -17.798 1.00 4.20 H new ATOM 0 HG22 THR A 57 12.293 3.608 -19.422 1.00 4.20 H new ATOM 0 HG23 THR A 57 10.862 4.034 -18.453 1.00 4.20 H new ATOM 966 N ARG A 58 12.966 0.771 -19.999 1.00 1.31 N ATOM 967 CA ARG A 58 13.912 -0.096 -20.691 1.00 51.33 C ATOM 968 C ARG A 58 14.406 -1.207 -19.770 1.00 2.23 C ATOM 969 O ARG A 58 14.342 -2.387 -20.114 1.00 3.11 O ATOM 970 CB ARG A 58 15.099 0.719 -21.208 1.00 22.10 C ATOM 971 CG ARG A 58 15.938 -0.016 -22.241 1.00 4.53 C ATOM 972 CD ARG A 58 15.286 0.017 -23.614 1.00 41.50 C ATOM 973 NE ARG A 58 15.842 -0.995 -24.508 1.00 55.12 N ATOM 974 CZ ARG A 58 15.506 -1.109 -25.788 1.00 53.54 C ATOM 975 NH1 ARG A 58 14.622 -0.277 -26.322 1.00 12.53 N ATOM 976 NH2 ARG A 58 16.055 -2.056 -26.538 1.00 52.20 N ATOM 0 H ARG A 58 13.178 1.766 -20.067 1.00 1.31 H new ATOM 0 HA ARG A 58 13.397 -0.552 -21.537 1.00 51.33 H new ATOM 0 HB2 ARG A 58 14.729 1.646 -21.646 1.00 22.10 H new ATOM 0 HB3 ARG A 58 15.734 0.995 -20.366 1.00 22.10 H new ATOM 0 HG2 ARG A 58 16.928 0.437 -22.296 1.00 4.53 H new ATOM 0 HG3 ARG A 58 16.078 -1.051 -21.928 1.00 4.53 H new ATOM 0 HD2 ARG A 58 14.213 -0.142 -23.510 1.00 41.50 H new ATOM 0 HD3 ARG A 58 15.421 1.004 -24.056 1.00 41.50 H new ATOM 0 HE ARG A 58 16.526 -1.650 -24.129 1.00 55.12 H new ATOM 0 HH11 ARG A 58 14.198 0.453 -25.749 1.00 12.53 H new ATOM 0 HH12 ARG A 58 14.366 -0.367 -27.305 1.00 12.53 H new ATOM 0 HH21 ARG A 58 16.736 -2.698 -26.132 1.00 52.20 H new ATOM 0 HH22 ARG A 58 15.796 -2.142 -27.521 1.00 52.20 H new ATOM 990 N SER A 59 14.899 -0.821 -18.597 1.00 42.42 N ATOM 991 CA SER A 59 15.408 -1.783 -17.628 1.00 25.43 C ATOM 992 C SER A 59 14.346 -2.824 -17.286 1.00 2.33 C ATOM 993 O SER A 59 14.663 -3.975 -16.986 1.00 11.04 O ATOM 994 CB SER A 59 15.864 -1.066 -16.356 1.00 10.24 C ATOM 995 OG SER A 59 17.169 -0.534 -16.509 1.00 75.23 O ATOM 0 H SER A 59 14.956 0.152 -18.295 1.00 42.42 H new ATOM 0 HA SER A 59 16.262 -2.293 -18.074 1.00 25.43 H new ATOM 0 HB2 SER A 59 15.166 -0.263 -16.118 1.00 10.24 H new ATOM 0 HB3 SER A 59 15.848 -1.762 -15.517 1.00 10.24 H new ATOM 0 HG SER A 59 17.436 -0.080 -15.683 1.00 75.23 H new ATOM 1001 N ASP A 60 13.085 -2.410 -17.333 1.00 51.53 N ATOM 1002 CA ASP A 60 11.974 -3.305 -17.030 1.00 3.52 C ATOM 1003 C ASP A 60 11.735 -4.282 -18.176 1.00 65.41 C ATOM 1004 O ASP A 60 11.344 -5.429 -17.956 1.00 4.32 O ATOM 1005 CB ASP A 60 10.703 -2.500 -16.756 1.00 52.44 C ATOM 1006 CG ASP A 60 9.529 -3.382 -16.379 1.00 50.22 C ATOM 1007 OD1 ASP A 60 9.748 -4.585 -16.124 1.00 3.42 O ATOM 1008 OD2 ASP A 60 8.391 -2.869 -16.338 1.00 62.35 O ATOM 0 H ASP A 60 12.806 -1.460 -17.578 1.00 51.53 H new ATOM 0 HA ASP A 60 12.233 -3.876 -16.138 1.00 3.52 H new ATOM 0 HB2 ASP A 60 10.893 -1.789 -15.952 1.00 52.44 H new ATOM 0 HB3 ASP A 60 10.447 -1.918 -17.641 1.00 52.44 H new ATOM 1013 N ARG A 61 11.972 -3.821 -19.400 1.00 24.03 N ATOM 1014 CA ARG A 61 11.781 -4.654 -20.581 1.00 32.13 C ATOM 1015 C ARG A 61 12.921 -5.658 -20.729 1.00 13.32 C ATOM 1016 O ARG A 61 12.710 -6.790 -21.161 1.00 63.30 O ATOM 1017 CB ARG A 61 11.687 -3.784 -21.835 1.00 42.23 C ATOM 1018 CG ARG A 61 10.394 -3.971 -22.611 1.00 53.12 C ATOM 1019 CD ARG A 61 9.676 -2.647 -22.826 1.00 25.20 C ATOM 1020 NE ARG A 61 8.640 -2.746 -23.850 1.00 35.45 N ATOM 1021 CZ ARG A 61 8.139 -1.697 -24.492 1.00 75.32 C ATOM 1022 NH1 ARG A 61 8.578 -0.477 -24.219 1.00 15.54 N ATOM 1023 NH2 ARG A 61 7.197 -1.868 -25.411 1.00 74.40 N ATOM 0 H ARG A 61 12.297 -2.875 -19.599 1.00 24.03 H new ATOM 0 HA ARG A 61 10.849 -5.205 -20.459 1.00 32.13 H new ATOM 0 HB2 ARG A 61 11.780 -2.737 -21.548 1.00 42.23 H new ATOM 0 HB3 ARG A 61 12.529 -4.011 -22.489 1.00 42.23 H new ATOM 0 HG2 ARG A 61 10.611 -4.429 -23.576 1.00 53.12 H new ATOM 0 HG3 ARG A 61 9.741 -4.657 -22.072 1.00 53.12 H new ATOM 0 HD2 ARG A 61 9.228 -2.321 -21.887 1.00 25.20 H new ATOM 0 HD3 ARG A 61 10.400 -1.885 -23.115 1.00 25.20 H new ATOM 0 HE ARG A 61 8.281 -3.671 -24.085 1.00 35.45 H new ATOM 0 HH11 ARG A 61 9.303 -0.342 -23.514 1.00 15.54 H new ATOM 0 HH12 ARG A 61 8.191 0.327 -24.714 1.00 15.54 H new ATOM 0 HH21 ARG A 61 6.857 -2.806 -25.625 1.00 74.40 H new ATOM 0 HH22 ARG A 61 6.813 -1.062 -25.904 1.00 74.40 H new ATOM 1037 N GLU A 62 14.127 -5.233 -20.367 1.00 44.44 N ATOM 1038 CA GLU A 62 15.300 -6.094 -20.462 1.00 20.22 C ATOM 1039 C GLU A 62 15.254 -7.194 -19.405 1.00 14.22 C ATOM 1040 O GLU A 62 15.683 -8.322 -19.647 1.00 4.20 O ATOM 1041 CB GLU A 62 16.580 -5.271 -20.301 1.00 54.21 C ATOM 1042 CG GLU A 62 17.033 -5.126 -18.858 1.00 62.21 C ATOM 1043 CD GLU A 62 17.855 -6.309 -18.384 1.00 12.04 C ATOM 1044 OE1 GLU A 62 18.107 -7.221 -19.199 1.00 13.10 O ATOM 1045 OE2 GLU A 62 18.246 -6.323 -17.198 1.00 34.12 O ATOM 0 H GLU A 62 14.317 -4.298 -20.005 1.00 44.44 H new ATOM 0 HA GLU A 62 15.298 -6.559 -21.448 1.00 20.22 H new ATOM 0 HB2 GLU A 62 17.378 -5.739 -20.878 1.00 54.21 H new ATOM 0 HB3 GLU A 62 16.420 -4.279 -20.724 1.00 54.21 H new ATOM 0 HG2 GLU A 62 17.622 -4.215 -18.756 1.00 62.21 H new ATOM 0 HG3 GLU A 62 16.159 -5.015 -18.216 1.00 62.21 H new ATOM 1052 N VAL A 63 14.729 -6.856 -18.231 1.00 23.42 N ATOM 1053 CA VAL A 63 14.626 -7.814 -17.136 1.00 52.12 C ATOM 1054 C VAL A 63 13.496 -8.808 -17.381 1.00 25.40 C ATOM 1055 O VAL A 63 13.625 -9.997 -17.083 1.00 43.32 O ATOM 1056 CB VAL A 63 14.387 -7.104 -15.790 1.00 63.12 C ATOM 1057 CG1 VAL A 63 15.571 -6.217 -15.437 1.00 41.42 C ATOM 1058 CG2 VAL A 63 13.099 -6.296 -15.835 1.00 43.05 C ATOM 0 H VAL A 63 14.369 -5.927 -18.014 1.00 23.42 H new ATOM 0 HA VAL A 63 15.575 -8.349 -17.093 1.00 52.12 H new ATOM 0 HB VAL A 63 14.286 -7.861 -15.012 1.00 63.12 H new ATOM 0 HG11 VAL A 63 15.384 -5.724 -14.483 1.00 41.42 H new ATOM 0 HG12 VAL A 63 16.472 -6.826 -15.360 1.00 41.42 H new ATOM 0 HG13 VAL A 63 15.707 -5.465 -16.214 1.00 41.42 H new ATOM 0 HG21 VAL A 63 12.946 -5.801 -14.876 1.00 43.05 H new ATOM 0 HG22 VAL A 63 13.167 -5.546 -16.623 1.00 43.05 H new ATOM 0 HG23 VAL A 63 12.259 -6.961 -16.038 1.00 43.05 H new ATOM 1068 N LEU A 64 12.390 -8.316 -17.926 1.00 14.44 N ATOM 1069 CA LEU A 64 11.236 -9.161 -18.212 1.00 32.21 C ATOM 1070 C LEU A 64 11.570 -10.195 -19.283 1.00 3.43 C ATOM 1071 O LEU A 64 11.244 -11.374 -19.145 1.00 4.21 O ATOM 1072 CB LEU A 64 10.051 -8.306 -18.665 1.00 5.41 C ATOM 1073 CG LEU A 64 8.841 -8.286 -17.730 1.00 43.24 C ATOM 1074 CD1 LEU A 64 9.289 -8.263 -16.277 1.00 63.53 C ATOM 1075 CD2 LEU A 64 7.952 -7.089 -18.035 1.00 20.03 C ATOM 0 H LEU A 64 12.267 -7.336 -18.179 1.00 14.44 H new ATOM 0 HA LEU A 64 10.967 -9.687 -17.296 1.00 32.21 H new ATOM 0 HB2 LEU A 64 10.398 -7.282 -18.799 1.00 5.41 H new ATOM 0 HB3 LEU A 64 9.724 -8.662 -19.642 1.00 5.41 H new ATOM 0 HG LEU A 64 8.263 -9.195 -17.896 1.00 43.24 H new ATOM 0 HD11 LEU A 64 8.414 -8.249 -15.627 1.00 63.53 H new ATOM 0 HD12 LEU A 64 9.884 -9.151 -16.066 1.00 63.53 H new ATOM 0 HD13 LEU A 64 9.890 -7.372 -16.096 1.00 63.53 H new ATOM 0 HD21 LEU A 64 7.096 -7.090 -17.360 1.00 20.03 H new ATOM 0 HD22 LEU A 64 8.521 -6.169 -17.898 1.00 20.03 H new ATOM 0 HD23 LEU A 64 7.602 -7.149 -19.066 1.00 20.03 H new ATOM 1087 N ASP A 65 12.224 -9.745 -20.348 1.00 10.40 N ATOM 1088 CA ASP A 65 12.606 -10.631 -21.441 1.00 41.33 C ATOM 1089 C ASP A 65 13.661 -11.634 -20.985 1.00 13.15 C ATOM 1090 O ASP A 65 13.665 -12.785 -21.418 1.00 63.11 O ATOM 1091 CB ASP A 65 13.136 -9.818 -22.624 1.00 12.24 C ATOM 1092 CG ASP A 65 12.421 -10.148 -23.919 1.00 43.44 C ATOM 1093 OD1 ASP A 65 12.280 -11.349 -24.231 1.00 25.04 O ATOM 1094 OD2 ASP A 65 12.002 -9.204 -24.622 1.00 22.30 O ATOM 0 H ASP A 65 12.501 -8.772 -20.478 1.00 10.40 H new ATOM 0 HA ASP A 65 11.719 -11.181 -21.756 1.00 41.33 H new ATOM 0 HB2 ASP A 65 13.023 -8.755 -22.410 1.00 12.24 H new ATOM 0 HB3 ASP A 65 14.203 -10.008 -22.743 1.00 12.24 H new ATOM 1099 N ASN A 66 14.554 -11.188 -20.107 1.00 53.31 N ATOM 1100 CA ASN A 66 15.615 -12.046 -19.593 1.00 13.03 C ATOM 1101 C ASN A 66 15.060 -13.056 -18.592 1.00 45.23 C ATOM 1102 O ASN A 66 15.442 -14.226 -18.601 1.00 33.32 O ATOM 1103 CB ASN A 66 16.706 -11.202 -18.931 1.00 61.20 C ATOM 1104 CG ASN A 66 17.875 -12.041 -18.452 1.00 32.33 C ATOM 1105 OD1 ASN A 66 17.903 -12.488 -17.305 1.00 24.30 O ATOM 1106 ND2 ASN A 66 18.847 -12.259 -19.330 1.00 55.23 N ATOM 0 H ASN A 66 14.564 -10.238 -19.737 1.00 53.31 H new ATOM 0 HA ASN A 66 16.046 -12.592 -20.432 1.00 13.03 H new ATOM 0 HB2 ASN A 66 17.064 -10.456 -19.640 1.00 61.20 H new ATOM 0 HB3 ASN A 66 16.280 -10.661 -18.086 1.00 61.20 H new ATOM 0 HD21 ASN A 66 19.659 -12.817 -19.064 1.00 55.23 H new ATOM 0 HD22 ASN A 66 18.782 -11.869 -20.270 1.00 55.23 H new ATOM 1113 N TRP A 67 14.159 -12.595 -17.733 1.00 2.33 N ATOM 1114 CA TRP A 67 13.552 -13.458 -16.726 1.00 52.11 C ATOM 1115 C TRP A 67 12.809 -14.618 -17.380 1.00 53.51 C ATOM 1116 O TRP A 67 12.892 -15.757 -16.922 1.00 34.13 O ATOM 1117 CB TRP A 67 12.594 -12.654 -15.846 1.00 54.40 C ATOM 1118 CG TRP A 67 13.291 -11.836 -14.802 1.00 3.43 C ATOM 1119 CD1 TRP A 67 14.427 -12.171 -14.122 1.00 44.31 C ATOM 1120 CD2 TRP A 67 12.897 -10.547 -14.317 1.00 73.42 C ATOM 1121 NE1 TRP A 67 14.763 -11.168 -13.244 1.00 71.31 N ATOM 1122 CE2 TRP A 67 13.840 -10.161 -13.345 1.00 43.13 C ATOM 1123 CE3 TRP A 67 11.840 -9.682 -14.611 1.00 53.12 C ATOM 1124 CZ2 TRP A 67 13.756 -8.948 -12.667 1.00 35.00 C ATOM 1125 CZ3 TRP A 67 11.757 -8.479 -13.937 1.00 12.32 C ATOM 1126 CH2 TRP A 67 12.710 -8.120 -12.975 1.00 22.24 C ATOM 0 H TRP A 67 13.832 -11.629 -17.713 1.00 2.33 H new ATOM 0 HA TRP A 67 14.349 -13.866 -16.104 1.00 52.11 H new ATOM 0 HB2 TRP A 67 12.000 -11.994 -16.478 1.00 54.40 H new ATOM 0 HB3 TRP A 67 11.900 -13.338 -15.358 1.00 54.40 H new ATOM 0 HD1 TRP A 67 14.980 -13.089 -14.255 1.00 44.31 H new ATOM 0 HE1 TRP A 67 15.569 -11.173 -12.619 1.00 71.31 H new ATOM 0 HE3 TRP A 67 11.101 -9.949 -15.352 1.00 53.12 H new ATOM 0 HZ2 TRP A 67 14.490 -8.670 -11.925 1.00 35.00 H new ATOM 0 HZ3 TRP A 67 10.943 -7.803 -14.156 1.00 12.32 H new ATOM 0 HH2 TRP A 67 12.618 -7.172 -12.466 1.00 22.24 H new ATOM 1137 N ARG A 68 12.083 -14.320 -18.453 1.00 44.02 N ATOM 1138 CA ARG A 68 11.325 -15.339 -19.169 1.00 50.43 C ATOM 1139 C ARG A 68 12.251 -16.221 -20.002 1.00 12.13 C ATOM 1140 O ARG A 68 11.916 -17.361 -20.320 1.00 75.13 O ATOM 1141 CB ARG A 68 10.278 -14.684 -20.073 1.00 30.54 C ATOM 1142 CG ARG A 68 8.941 -14.454 -19.387 1.00 41.53 C ATOM 1143 CD ARG A 68 9.098 -13.613 -18.130 1.00 34.13 C ATOM 1144 NE ARG A 68 7.996 -12.669 -17.962 1.00 3.31 N ATOM 1145 CZ ARG A 68 6.810 -13.004 -17.467 1.00 51.41 C ATOM 1146 NH1 ARG A 68 6.573 -14.253 -17.093 1.00 32.21 N ATOM 1147 NH2 ARG A 68 5.858 -12.087 -17.345 1.00 71.32 N ATOM 0 H ARG A 68 12.004 -13.382 -18.845 1.00 44.02 H new ATOM 0 HA ARG A 68 10.820 -15.965 -18.433 1.00 50.43 H new ATOM 0 HB2 ARG A 68 10.664 -13.729 -20.429 1.00 30.54 H new ATOM 0 HB3 ARG A 68 10.124 -15.312 -20.950 1.00 30.54 H new ATOM 0 HG2 ARG A 68 8.258 -13.957 -20.076 1.00 41.53 H new ATOM 0 HG3 ARG A 68 8.492 -15.414 -19.130 1.00 41.53 H new ATOM 0 HD2 ARG A 68 9.150 -14.268 -17.260 1.00 34.13 H new ATOM 0 HD3 ARG A 68 10.040 -13.066 -18.175 1.00 34.13 H new ATOM 0 HE ARG A 68 8.146 -11.699 -18.240 1.00 3.31 H new ATOM 0 HH11 ARG A 68 7.302 -14.960 -17.185 1.00 32.21 H new ATOM 0 HH12 ARG A 68 5.661 -14.507 -16.713 1.00 32.21 H new ATOM 0 HH21 ARG A 68 6.037 -11.125 -17.632 1.00 71.32 H new ATOM 0 HH22 ARG A 68 4.947 -12.345 -16.965 1.00 71.32 H new ATOM 1161 N GLU A 69 13.416 -15.684 -20.350 1.00 51.04 N ATOM 1162 CA GLU A 69 14.389 -16.423 -21.147 1.00 14.41 C ATOM 1163 C GLU A 69 15.073 -17.499 -20.309 1.00 3.40 C ATOM 1164 O GLU A 69 15.269 -18.626 -20.765 1.00 45.22 O ATOM 1165 CB GLU A 69 15.436 -15.469 -21.727 1.00 35.22 C ATOM 1166 CG GLU A 69 16.622 -16.179 -22.357 1.00 41.41 C ATOM 1167 CD GLU A 69 16.224 -17.048 -23.534 1.00 21.43 C ATOM 1168 OE1 GLU A 69 15.510 -18.049 -23.317 1.00 71.45 O ATOM 1169 OE2 GLU A 69 16.627 -16.727 -24.671 1.00 62.03 O ATOM 0 H GLU A 69 13.709 -14.741 -20.093 1.00 51.04 H new ATOM 0 HA GLU A 69 13.857 -16.908 -21.966 1.00 14.41 H new ATOM 0 HB2 GLU A 69 14.962 -14.835 -22.477 1.00 35.22 H new ATOM 0 HB3 GLU A 69 15.795 -14.812 -20.935 1.00 35.22 H new ATOM 0 HG2 GLU A 69 17.351 -15.438 -22.687 1.00 41.41 H new ATOM 0 HG3 GLU A 69 17.113 -16.796 -21.604 1.00 41.41 H new ATOM 1176 N LEU A 70 15.435 -17.143 -19.081 1.00 44.44 N ATOM 1177 CA LEU A 70 16.099 -18.077 -18.178 1.00 40.54 C ATOM 1178 C LEU A 70 15.114 -19.112 -17.645 1.00 53.32 C ATOM 1179 O LEU A 70 15.455 -20.284 -17.489 1.00 13.40 O ATOM 1180 CB LEU A 70 16.742 -17.321 -17.014 1.00 64.03 C ATOM 1181 CG LEU A 70 15.850 -16.308 -16.297 1.00 11.14 C ATOM 1182 CD1 LEU A 70 15.084 -16.978 -15.166 1.00 50.43 C ATOM 1183 CD2 LEU A 70 16.680 -15.147 -15.767 1.00 35.42 C ATOM 0 H LEU A 70 15.280 -16.215 -18.688 1.00 44.44 H new ATOM 0 HA LEU A 70 16.876 -18.597 -18.739 1.00 40.54 H new ATOM 0 HB2 LEU A 70 17.091 -18.050 -16.282 1.00 64.03 H new ATOM 0 HB3 LEU A 70 17.622 -16.799 -17.388 1.00 64.03 H new ATOM 0 HG LEU A 70 15.129 -15.915 -17.014 1.00 11.14 H new ATOM 0 HD11 LEU A 70 14.454 -16.242 -14.667 1.00 50.43 H new ATOM 0 HD12 LEU A 70 14.460 -17.774 -15.571 1.00 50.43 H new ATOM 0 HD13 LEU A 70 15.789 -17.399 -14.449 1.00 50.43 H new ATOM 0 HD21 LEU A 70 16.028 -14.436 -15.260 1.00 35.42 H new ATOM 0 HD22 LEU A 70 17.424 -15.523 -15.065 1.00 35.42 H new ATOM 0 HD23 LEU A 70 17.183 -14.650 -16.597 1.00 35.42 H new ATOM 1195 N GLU A 71 13.890 -18.670 -17.370 1.00 24.11 N ATOM 1196 CA GLU A 71 12.856 -19.560 -16.856 1.00 14.53 C ATOM 1197 C GLU A 71 12.459 -20.595 -17.904 1.00 35.33 C ATOM 1198 O GLU A 71 12.134 -21.735 -17.573 1.00 33.22 O ATOM 1199 CB GLU A 71 11.627 -18.755 -16.427 1.00 50.40 C ATOM 1200 CG GLU A 71 10.399 -19.611 -16.168 1.00 13.33 C ATOM 1201 CD GLU A 71 9.585 -19.859 -17.423 1.00 11.21 C ATOM 1202 OE1 GLU A 71 9.171 -18.871 -18.066 1.00 30.23 O ATOM 1203 OE2 GLU A 71 9.362 -21.040 -17.762 1.00 52.54 O ATOM 0 H GLU A 71 13.591 -17.703 -17.495 1.00 24.11 H new ATOM 0 HA GLU A 71 13.260 -20.083 -15.989 1.00 14.53 H new ATOM 0 HB2 GLU A 71 11.867 -18.196 -15.523 1.00 50.40 H new ATOM 0 HB3 GLU A 71 11.393 -18.024 -17.201 1.00 50.40 H new ATOM 0 HG2 GLU A 71 10.710 -20.567 -15.746 1.00 13.33 H new ATOM 0 HG3 GLU A 71 9.771 -19.123 -15.423 1.00 13.33 H new ATOM 1210 N MET A 72 12.487 -20.189 -19.169 1.00 32.22 N ATOM 1211 CA MET A 72 12.130 -21.082 -20.266 1.00 5.24 C ATOM 1212 C MET A 72 13.350 -21.858 -20.753 1.00 32.23 C ATOM 1213 O MET A 72 13.224 -22.820 -21.512 1.00 1.45 O ATOM 1214 CB MET A 72 11.523 -20.286 -21.422 1.00 53.12 C ATOM 1215 CG MET A 72 12.557 -19.580 -22.284 1.00 61.42 C ATOM 1216 SD MET A 72 11.811 -18.553 -23.564 1.00 74.33 S ATOM 1217 CE MET A 72 11.825 -19.682 -24.955 1.00 44.43 C ATOM 0 H MET A 72 12.753 -19.248 -19.460 1.00 32.22 H new ATOM 0 HA MET A 72 11.391 -21.794 -19.897 1.00 5.24 H new ATOM 0 HB2 MET A 72 10.939 -20.960 -22.049 1.00 53.12 H new ATOM 0 HB3 MET A 72 10.832 -19.546 -21.019 1.00 53.12 H new ATOM 0 HG2 MET A 72 13.191 -18.960 -21.650 1.00 61.42 H new ATOM 0 HG3 MET A 72 13.203 -20.323 -22.751 1.00 61.42 H new ATOM 0 HE1 MET A 72 11.393 -19.191 -25.827 1.00 44.43 H new ATOM 0 HE2 MET A 72 12.851 -19.976 -25.175 1.00 44.43 H new ATOM 0 HE3 MET A 72 11.239 -20.568 -24.711 1.00 44.43 H new ATOM 1227 N LYS A 73 14.530 -21.435 -20.312 1.00 72.20 N ATOM 1228 CA LYS A 73 15.772 -22.091 -20.702 1.00 4.22 C ATOM 1229 C LYS A 73 16.095 -23.248 -19.762 1.00 4.34 C ATOM 1230 O LYS A 73 16.864 -24.145 -20.107 1.00 51.51 O ATOM 1231 CB LYS A 73 16.925 -21.084 -20.704 1.00 22.41 C ATOM 1232 CG LYS A 73 17.201 -20.478 -22.069 1.00 61.30 C ATOM 1233 CD LYS A 73 18.650 -20.673 -22.483 1.00 1.20 C ATOM 1234 CE LYS A 73 19.095 -19.608 -23.474 1.00 14.34 C ATOM 1235 NZ LYS A 73 18.682 -19.938 -24.866 1.00 34.13 N ATOM 0 H LYS A 73 14.652 -20.641 -19.684 1.00 72.20 H new ATOM 0 HA LYS A 73 15.643 -22.489 -21.708 1.00 4.22 H new ATOM 0 HB2 LYS A 73 16.698 -20.284 -20.000 1.00 22.41 H new ATOM 0 HB3 LYS A 73 17.828 -21.578 -20.346 1.00 22.41 H new ATOM 0 HG2 LYS A 73 16.545 -20.935 -22.810 1.00 61.30 H new ATOM 0 HG3 LYS A 73 16.967 -19.414 -22.050 1.00 61.30 H new ATOM 0 HD2 LYS A 73 19.289 -20.640 -21.601 1.00 1.20 H new ATOM 0 HD3 LYS A 73 18.772 -21.660 -22.929 1.00 1.20 H new ATOM 0 HE2 LYS A 73 18.671 -18.646 -23.188 1.00 14.34 H new ATOM 0 HE3 LYS A 73 20.179 -19.503 -23.432 1.00 14.34 H new ATOM 0 HZ1 LYS A 73 19.004 -19.188 -25.511 1.00 34.13 H new ATOM 0 HZ2 LYS A 73 19.107 -20.844 -25.149 1.00 34.13 H new ATOM 0 HZ3 LYS A 73 17.646 -20.013 -24.912 1.00 34.13 H new ATOM 1249 N ALA A 74 15.502 -23.221 -18.573 1.00 22.24 N ATOM 1250 CA ALA A 74 15.724 -24.270 -17.585 1.00 3.45 C ATOM 1251 C ALA A 74 15.004 -25.555 -17.976 1.00 55.15 C ATOM 1252 O ALA A 74 15.077 -26.559 -17.268 1.00 74.33 O ATOM 1253 CB ALA A 74 15.268 -23.804 -16.210 1.00 32.43 C ATOM 0 H ALA A 74 14.864 -22.485 -18.271 1.00 22.24 H new ATOM 0 HA ALA A 74 16.793 -24.481 -17.550 1.00 3.45 H new ATOM 0 HB1 ALA A 74 15.439 -24.597 -15.482 1.00 32.43 H new ATOM 0 HB2 ALA A 74 15.832 -22.917 -15.921 1.00 32.43 H new ATOM 0 HB3 ALA A 74 14.205 -23.564 -16.241 1.00 32.43 H new ATOM 1259 N ARG A 75 14.307 -25.516 -19.108 1.00 23.12 N ATOM 1260 CA ARG A 75 13.572 -26.678 -19.592 1.00 54.34 C ATOM 1261 C ARG A 75 12.731 -27.293 -18.477 1.00 54.55 C ATOM 1262 O ARG A 75 12.853 -28.480 -18.175 1.00 4.44 O ATOM 1263 CB ARG A 75 14.538 -27.723 -20.152 1.00 40.04 C ATOM 1264 CG ARG A 75 15.198 -27.306 -21.456 1.00 50.54 C ATOM 1265 CD ARG A 75 16.368 -28.212 -21.804 1.00 23.23 C ATOM 1266 NE ARG A 75 17.362 -27.531 -22.629 1.00 62.21 N ATOM 1267 CZ ARG A 75 18.420 -28.138 -23.157 1.00 15.11 C ATOM 1268 NH1 ARG A 75 18.619 -29.432 -22.947 1.00 0.33 N ATOM 1269 NH2 ARG A 75 19.280 -27.450 -23.897 1.00 73.31 N ATOM 0 H ARG A 75 14.236 -24.693 -19.706 1.00 23.12 H new ATOM 0 HA ARG A 75 12.904 -26.348 -20.388 1.00 54.34 H new ATOM 0 HB2 ARG A 75 15.312 -27.924 -19.411 1.00 40.04 H new ATOM 0 HB3 ARG A 75 13.998 -28.657 -20.310 1.00 40.04 H new ATOM 0 HG2 ARG A 75 14.464 -27.333 -22.261 1.00 50.54 H new ATOM 0 HG3 ARG A 75 15.546 -26.276 -21.376 1.00 50.54 H new ATOM 0 HD2 ARG A 75 16.839 -28.564 -20.886 1.00 23.23 H new ATOM 0 HD3 ARG A 75 16.000 -29.092 -22.332 1.00 23.23 H new ATOM 0 HE ARG A 75 17.238 -26.535 -22.810 1.00 62.21 H new ATOM 0 HH11 ARG A 75 17.959 -29.964 -22.379 1.00 0.33 H new ATOM 0 HH12 ARG A 75 19.432 -29.896 -23.353 1.00 0.33 H new ATOM 0 HH21 ARG A 75 19.129 -26.455 -24.061 1.00 73.31 H new ATOM 0 HH22 ARG A 75 20.092 -27.917 -24.302 1.00 73.31 H new ATOM 1283 N LYS A 76 11.876 -26.477 -17.869 1.00 43.43 N ATOM 1284 CA LYS A 76 11.014 -26.939 -16.788 1.00 52.43 C ATOM 1285 C LYS A 76 10.177 -25.791 -16.232 1.00 21.25 C ATOM 1286 O LYS A 76 10.705 -24.730 -15.900 1.00 41.41 O ATOM 1287 CB LYS A 76 11.852 -27.562 -15.670 1.00 44.20 C ATOM 1288 CG LYS A 76 11.529 -29.023 -15.409 1.00 41.33 C ATOM 1289 CD LYS A 76 11.421 -29.313 -13.922 1.00 24.13 C ATOM 1290 CE LYS A 76 10.985 -30.747 -13.664 1.00 21.30 C ATOM 1291 NZ LYS A 76 12.057 -31.723 -14.005 1.00 3.14 N ATOM 0 H LYS A 76 11.762 -25.492 -18.107 1.00 43.43 H new ATOM 0 HA LYS A 76 10.340 -27.695 -17.192 1.00 52.43 H new ATOM 0 HB2 LYS A 76 12.908 -27.472 -15.926 1.00 44.20 H new ATOM 0 HB3 LYS A 76 11.697 -26.995 -14.752 1.00 44.20 H new ATOM 0 HG2 LYS A 76 10.591 -29.283 -15.900 1.00 41.33 H new ATOM 0 HG3 LYS A 76 12.304 -29.652 -15.848 1.00 41.33 H new ATOM 0 HD2 LYS A 76 12.384 -29.133 -13.444 1.00 24.13 H new ATOM 0 HD3 LYS A 76 10.706 -28.627 -13.467 1.00 24.13 H new ATOM 0 HE2 LYS A 76 10.711 -30.860 -12.615 1.00 21.30 H new ATOM 0 HE3 LYS A 76 10.094 -30.967 -14.252 1.00 21.30 H new ATOM 0 HZ1 LYS A 76 11.733 -32.686 -13.783 1.00 3.14 H new ATOM 0 HZ2 LYS A 76 12.277 -31.657 -15.019 1.00 3.14 H new ATOM 0 HZ3 LYS A 76 12.911 -31.509 -13.451 1.00 3.14 H new ATOM 1305 N ARG A 77 8.871 -26.012 -16.130 1.00 74.52 N ATOM 1306 CA ARG A 77 7.962 -24.997 -15.613 1.00 55.31 C ATOM 1307 C ARG A 77 7.964 -24.991 -14.087 1.00 74.42 C ATOM 1308 O ARG A 77 7.188 -25.707 -13.452 1.00 52.11 O ATOM 1309 CB ARG A 77 6.543 -25.240 -16.131 1.00 32.30 C ATOM 1310 CG ARG A 77 6.354 -24.860 -17.590 1.00 74.24 C ATOM 1311 CD ARG A 77 4.892 -24.939 -18.002 1.00 32.43 C ATOM 1312 NE ARG A 77 4.187 -23.683 -17.762 1.00 51.01 N ATOM 1313 CZ ARG A 77 2.864 -23.566 -17.786 1.00 31.43 C ATOM 1314 NH1 ARG A 77 2.106 -24.625 -18.036 1.00 62.14 N ATOM 1315 NH2 ARG A 77 2.296 -22.389 -17.558 1.00 2.13 N ATOM 0 H ARG A 77 8.418 -26.886 -16.399 1.00 74.52 H new ATOM 0 HA ARG A 77 8.307 -24.024 -15.963 1.00 55.31 H new ATOM 0 HB2 ARG A 77 6.294 -26.294 -16.004 1.00 32.30 H new ATOM 0 HB3 ARG A 77 5.841 -24.671 -15.522 1.00 32.30 H new ATOM 0 HG2 ARG A 77 6.725 -23.848 -17.755 1.00 74.24 H new ATOM 0 HG3 ARG A 77 6.947 -25.524 -18.220 1.00 74.24 H new ATOM 0 HD2 ARG A 77 4.827 -25.195 -19.060 1.00 32.43 H new ATOM 0 HD3 ARG A 77 4.402 -25.741 -17.449 1.00 32.43 H new ATOM 0 HE ARG A 77 4.741 -22.849 -17.565 1.00 51.01 H new ATOM 0 HH11 ARG A 77 2.539 -25.532 -18.210 1.00 62.14 H new ATOM 0 HH12 ARG A 77 1.090 -24.532 -18.054 1.00 62.14 H new ATOM 0 HH21 ARG A 77 2.875 -21.572 -17.364 1.00 2.13 H new ATOM 0 HH22 ARG A 77 1.280 -22.301 -17.577 1.00 2.13 H new ATOM 1329 N LEU A 78 8.840 -24.181 -13.505 1.00 2.31 N ATOM 1330 CA LEU A 78 8.944 -24.082 -12.053 1.00 60.11 C ATOM 1331 C LEU A 78 7.600 -23.712 -11.435 1.00 13.41 C ATOM 1332 O LEU A 78 6.713 -23.169 -12.095 1.00 65.12 O ATOM 1333 CB LEU A 78 9.999 -23.044 -11.667 1.00 23.21 C ATOM 1334 CG LEU A 78 11.436 -23.556 -11.558 1.00 31.24 C ATOM 1335 CD1 LEU A 78 11.769 -24.466 -12.730 1.00 41.30 C ATOM 1336 CD2 LEU A 78 12.413 -22.392 -11.489 1.00 3.13 C ATOM 0 H LEU A 78 9.489 -23.583 -14.016 1.00 2.31 H new ATOM 0 HA LEU A 78 9.244 -25.056 -11.668 1.00 60.11 H new ATOM 0 HB2 LEU A 78 9.976 -22.241 -12.403 1.00 23.21 H new ATOM 0 HB3 LEU A 78 9.717 -22.607 -10.709 1.00 23.21 H new ATOM 0 HG LEU A 78 11.526 -24.135 -10.639 1.00 31.24 H new ATOM 0 HD11 LEU A 78 12.795 -24.820 -12.635 1.00 41.30 H new ATOM 0 HD12 LEU A 78 11.090 -25.318 -12.733 1.00 41.30 H new ATOM 0 HD13 LEU A 78 11.661 -23.912 -13.663 1.00 41.30 H new ATOM 0 HD21 LEU A 78 13.431 -22.775 -11.412 1.00 3.13 H new ATOM 0 HD22 LEU A 78 12.321 -21.786 -12.390 1.00 3.13 H new ATOM 0 HD23 LEU A 78 12.189 -21.780 -10.616 1.00 3.13 H new ATOM 1348 N PRO A 79 7.443 -24.009 -10.136 1.00 43.33 N ATOM 1349 CA PRO A 79 6.211 -23.713 -9.400 1.00 30.15 C ATOM 1350 C PRO A 79 6.010 -22.217 -9.182 1.00 61.33 C ATOM 1351 O PRO A 79 4.931 -21.681 -9.436 1.00 34.42 O ATOM 1352 CB PRO A 79 6.419 -24.425 -8.060 1.00 41.23 C ATOM 1353 CG PRO A 79 7.898 -24.505 -7.900 1.00 10.23 C ATOM 1354 CD PRO A 79 8.458 -24.656 -9.287 1.00 53.42 C ATOM 0 HA PRO A 79 5.324 -24.043 -9.941 1.00 30.15 H new ATOM 0 HB2 PRO A 79 5.962 -23.870 -7.241 1.00 41.23 H new ATOM 0 HB3 PRO A 79 5.967 -25.417 -8.064 1.00 41.23 H new ATOM 0 HG2 PRO A 79 8.287 -23.608 -7.418 1.00 10.23 H new ATOM 0 HG3 PRO A 79 8.177 -25.351 -7.272 1.00 10.23 H new ATOM 0 HD2 PRO A 79 9.430 -24.172 -9.383 1.00 53.42 H new ATOM 0 HD3 PRO A 79 8.596 -25.704 -9.553 1.00 53.42 H new ATOM 1362 N THR A 80 7.057 -21.546 -8.711 1.00 72.34 N ATOM 1363 CA THR A 80 6.995 -20.112 -8.459 1.00 60.24 C ATOM 1364 C THR A 80 7.393 -19.319 -9.699 1.00 12.43 C ATOM 1365 O THR A 80 8.042 -19.844 -10.604 1.00 11.11 O ATOM 1366 CB THR A 80 7.911 -19.708 -7.289 1.00 13.52 C ATOM 1367 OG1 THR A 80 8.163 -20.840 -6.450 1.00 62.31 O ATOM 1368 CG2 THR A 80 7.279 -18.593 -6.468 1.00 63.11 C ATOM 0 H THR A 80 7.958 -21.973 -8.496 1.00 72.34 H new ATOM 0 HA THR A 80 5.962 -19.880 -8.199 1.00 60.24 H new ATOM 0 HB THR A 80 8.853 -19.346 -7.702 1.00 13.52 H new ATOM 0 HG1 THR A 80 9.022 -20.723 -5.992 1.00 62.31 H new ATOM 0 HG21 THR A 80 7.944 -18.324 -5.647 1.00 63.11 H new ATOM 0 HG22 THR A 80 7.115 -17.722 -7.103 1.00 63.11 H new ATOM 0 HG23 THR A 80 6.325 -18.933 -6.066 1.00 63.11 H new ATOM 1376 N THR A 81 7.000 -18.049 -9.734 1.00 42.10 N ATOM 1377 CA THR A 81 7.315 -17.183 -10.863 1.00 5.53 C ATOM 1378 C THR A 81 8.156 -15.989 -10.422 1.00 73.31 C ATOM 1379 O THR A 81 8.686 -15.250 -11.252 1.00 50.14 O ATOM 1380 CB THR A 81 6.037 -16.669 -11.551 1.00 72.23 C ATOM 1381 OG1 THR A 81 5.155 -17.764 -11.825 1.00 14.51 O ATOM 1382 CG2 THR A 81 6.373 -15.946 -12.847 1.00 32.12 C ATOM 0 H THR A 81 6.463 -17.598 -8.993 1.00 42.10 H new ATOM 0 HA THR A 81 7.884 -17.784 -11.573 1.00 5.53 H new ATOM 0 HB THR A 81 5.546 -15.966 -10.878 1.00 72.23 H new ATOM 0 HG1 THR A 81 4.344 -17.429 -12.261 1.00 14.51 H new ATOM 0 HG21 THR A 81 5.454 -15.592 -13.315 1.00 32.12 H new ATOM 0 HG22 THR A 81 7.021 -15.097 -12.632 1.00 32.12 H new ATOM 0 HG23 THR A 81 6.884 -16.631 -13.524 1.00 32.12 H new ATOM 1390 N LEU A 82 8.274 -15.807 -9.112 1.00 1.13 N ATOM 1391 CA LEU A 82 9.052 -14.703 -8.560 1.00 54.41 C ATOM 1392 C LEU A 82 10.422 -15.182 -8.092 1.00 41.25 C ATOM 1393 O LEU A 82 10.669 -15.314 -6.894 1.00 5.04 O ATOM 1394 CB LEU A 82 8.300 -14.056 -7.395 1.00 41.33 C ATOM 1395 CG LEU A 82 7.386 -12.884 -7.755 1.00 12.14 C ATOM 1396 CD1 LEU A 82 6.662 -12.373 -6.518 1.00 42.04 C ATOM 1397 CD2 LEU A 82 8.184 -11.765 -8.408 1.00 23.30 C ATOM 0 H LEU A 82 7.841 -16.409 -8.412 1.00 1.13 H new ATOM 0 HA LEU A 82 9.196 -13.963 -9.348 1.00 54.41 H new ATOM 0 HB2 LEU A 82 7.699 -14.823 -6.906 1.00 41.33 H new ATOM 0 HB3 LEU A 82 9.031 -13.710 -6.664 1.00 41.33 H new ATOM 0 HG LEU A 82 6.641 -13.235 -8.469 1.00 12.14 H new ATOM 0 HD11 LEU A 82 6.016 -11.539 -6.793 1.00 42.04 H new ATOM 0 HD12 LEU A 82 6.058 -13.175 -6.093 1.00 42.04 H new ATOM 0 HD13 LEU A 82 7.392 -12.039 -5.781 1.00 42.04 H new ATOM 0 HD21 LEU A 82 7.517 -10.940 -8.657 1.00 23.30 H new ATOM 0 HD22 LEU A 82 8.952 -11.415 -7.718 1.00 23.30 H new ATOM 0 HD23 LEU A 82 8.656 -12.137 -9.317 1.00 23.30 H new ATOM 1409 N PHE A 83 11.311 -15.439 -9.047 1.00 13.33 N ATOM 1410 CA PHE A 83 12.657 -15.902 -8.733 1.00 3.13 C ATOM 1411 C PHE A 83 13.697 -15.152 -9.560 1.00 61.24 C ATOM 1412 O PHE A 83 13.368 -14.221 -10.296 1.00 71.52 O ATOM 1413 CB PHE A 83 12.774 -17.406 -8.987 1.00 63.13 C ATOM 1414 CG PHE A 83 12.151 -17.845 -10.281 1.00 71.43 C ATOM 1415 CD1 PHE A 83 12.395 -17.149 -11.454 1.00 73.44 C ATOM 1416 CD2 PHE A 83 11.322 -18.955 -10.325 1.00 13.53 C ATOM 1417 CE1 PHE A 83 11.822 -17.551 -12.646 1.00 75.21 C ATOM 1418 CE2 PHE A 83 10.746 -19.361 -11.514 1.00 20.33 C ATOM 1419 CZ PHE A 83 10.997 -18.659 -12.676 1.00 63.11 C ATOM 0 H PHE A 83 11.123 -15.334 -10.044 1.00 13.33 H new ATOM 0 HA PHE A 83 12.846 -15.703 -7.678 1.00 3.13 H new ATOM 0 HB2 PHE A 83 13.828 -17.686 -8.987 1.00 63.13 H new ATOM 0 HB3 PHE A 83 12.301 -17.943 -8.165 1.00 63.13 H new ATOM 0 HD1 PHE A 83 13.040 -16.283 -11.437 1.00 73.44 H new ATOM 0 HD2 PHE A 83 11.124 -19.509 -9.419 1.00 13.53 H new ATOM 0 HE1 PHE A 83 12.019 -16.999 -13.553 1.00 75.21 H new ATOM 0 HE2 PHE A 83 10.100 -20.226 -11.534 1.00 20.33 H new ATOM 0 HZ PHE A 83 10.549 -18.975 -13.607 1.00 63.11 H new ATOM 1429 N PHE A 84 14.954 -15.564 -9.434 1.00 22.11 N ATOM 1430 CA PHE A 84 16.044 -14.931 -10.168 1.00 74.33 C ATOM 1431 C PHE A 84 17.201 -15.905 -10.369 1.00 44.44 C ATOM 1432 O PHE A 84 17.314 -16.906 -9.662 1.00 70.30 O ATOM 1433 CB PHE A 84 16.532 -13.686 -9.425 1.00 63.33 C ATOM 1434 CG PHE A 84 17.383 -13.998 -8.228 1.00 23.44 C ATOM 1435 CD1 PHE A 84 18.681 -14.458 -8.384 1.00 32.30 C ATOM 1436 CD2 PHE A 84 16.885 -13.832 -6.945 1.00 63.42 C ATOM 1437 CE1 PHE A 84 19.467 -14.746 -7.284 1.00 33.21 C ATOM 1438 CE2 PHE A 84 17.667 -14.118 -5.842 1.00 35.24 C ATOM 1439 CZ PHE A 84 18.958 -14.577 -6.011 1.00 43.21 C ATOM 0 H PHE A 84 15.243 -16.334 -8.830 1.00 22.11 H new ATOM 0 HA PHE A 84 15.667 -14.636 -11.147 1.00 74.33 H new ATOM 0 HB2 PHE A 84 17.102 -13.062 -10.113 1.00 63.33 H new ATOM 0 HB3 PHE A 84 15.669 -13.102 -9.105 1.00 63.33 H new ATOM 0 HD1 PHE A 84 19.083 -14.593 -9.377 1.00 32.30 H new ATOM 0 HD2 PHE A 84 15.875 -13.475 -6.806 1.00 63.42 H new ATOM 0 HE1 PHE A 84 20.477 -15.103 -7.420 1.00 33.21 H new ATOM 0 HE2 PHE A 84 17.268 -13.982 -4.848 1.00 35.24 H new ATOM 0 HZ PHE A 84 19.569 -14.804 -5.150 1.00 43.21 H new ATOM 1449 N ILE A 85 18.059 -15.603 -11.339 1.00 13.33 N ATOM 1450 CA ILE A 85 19.208 -16.450 -11.633 1.00 12.22 C ATOM 1451 C ILE A 85 20.481 -15.884 -11.013 1.00 32.25 C ATOM 1452 O ILE A 85 20.679 -14.670 -10.978 1.00 64.34 O ATOM 1453 CB ILE A 85 19.416 -16.609 -13.150 1.00 43.24 C ATOM 1454 CG1 ILE A 85 19.862 -15.282 -13.768 1.00 5.23 C ATOM 1455 CG2 ILE A 85 18.139 -17.104 -13.812 1.00 14.34 C ATOM 1456 CD1 ILE A 85 20.194 -15.382 -15.240 1.00 44.51 C ATOM 0 H ILE A 85 17.980 -14.778 -11.934 1.00 13.33 H new ATOM 0 HA ILE A 85 18.999 -17.428 -11.199 1.00 12.22 H new ATOM 0 HB ILE A 85 20.199 -17.348 -13.318 1.00 43.24 H new ATOM 0 HG12 ILE A 85 19.072 -14.543 -13.631 1.00 5.23 H new ATOM 0 HG13 ILE A 85 20.737 -14.916 -13.231 1.00 5.23 H new ATOM 0 HG21 ILE A 85 18.303 -17.211 -14.884 1.00 14.34 H new ATOM 0 HG22 ILE A 85 17.861 -18.069 -13.389 1.00 14.34 H new ATOM 0 HG23 ILE A 85 17.337 -16.387 -13.637 1.00 14.34 H new ATOM 0 HD11 ILE A 85 20.502 -14.404 -15.611 1.00 44.51 H new ATOM 0 HD12 ILE A 85 21.005 -16.096 -15.382 1.00 44.51 H new ATOM 0 HD13 ILE A 85 19.314 -15.718 -15.789 1.00 44.51 H new ATOM 1468 N GLU A 86 21.341 -16.773 -10.525 1.00 33.11 N ATOM 1469 CA GLU A 86 22.596 -16.362 -9.907 1.00 14.52 C ATOM 1470 C GLU A 86 23.536 -15.748 -10.940 1.00 55.43 C ATOM 1471 O GLU A 86 24.455 -15.004 -10.597 1.00 11.42 O ATOM 1472 CB GLU A 86 23.273 -17.556 -9.231 1.00 52.22 C ATOM 1473 CG GLU A 86 24.539 -17.190 -8.475 1.00 41.13 C ATOM 1474 CD GLU A 86 24.471 -17.565 -7.008 1.00 25.23 C ATOM 1475 OE1 GLU A 86 23.488 -17.179 -6.342 1.00 74.31 O ATOM 1476 OE2 GLU A 86 25.402 -18.244 -6.525 1.00 14.13 O ATOM 0 H GLU A 86 21.191 -17.782 -10.546 1.00 33.11 H new ATOM 0 HA GLU A 86 22.370 -15.608 -9.153 1.00 14.52 H new ATOM 0 HB2 GLU A 86 22.568 -18.019 -8.540 1.00 52.22 H new ATOM 0 HB3 GLU A 86 23.515 -18.302 -9.988 1.00 52.22 H new ATOM 0 HG2 GLU A 86 25.390 -17.691 -8.935 1.00 41.13 H new ATOM 0 HG3 GLU A 86 24.714 -16.118 -8.564 1.00 41.13 H new ATOM 1483 N THR A 87 23.299 -16.065 -12.209 1.00 73.05 N ATOM 1484 CA THR A 87 24.124 -15.547 -13.294 1.00 33.24 C ATOM 1485 C THR A 87 23.875 -14.059 -13.511 1.00 62.10 C ATOM 1486 O THR A 87 24.584 -13.407 -14.278 1.00 72.45 O ATOM 1487 CB THR A 87 23.856 -16.299 -14.611 1.00 42.33 C ATOM 1488 OG1 THR A 87 22.928 -17.365 -14.387 1.00 74.41 O ATOM 1489 CG2 THR A 87 25.149 -16.857 -15.188 1.00 35.44 C ATOM 0 H THR A 87 22.542 -16.678 -12.511 1.00 73.05 H new ATOM 0 HA THR A 87 25.163 -15.700 -13.002 1.00 33.24 H new ATOM 0 HB THR A 87 23.432 -15.594 -15.326 1.00 42.33 H new ATOM 0 HG1 THR A 87 22.762 -17.837 -15.230 1.00 74.41 H new ATOM 0 HG21 THR A 87 24.935 -17.384 -16.118 1.00 35.44 H new ATOM 0 HG22 THR A 87 25.842 -16.039 -15.386 1.00 35.44 H new ATOM 0 HG23 THR A 87 25.597 -17.548 -14.474 1.00 35.44 H new ATOM 1497 N ASP A 88 22.866 -13.527 -12.831 1.00 31.12 N ATOM 1498 CA ASP A 88 22.525 -12.114 -12.948 1.00 60.04 C ATOM 1499 C ASP A 88 22.763 -11.386 -11.629 1.00 72.01 C ATOM 1500 O ASP A 88 22.526 -10.182 -11.522 1.00 21.42 O ATOM 1501 CB ASP A 88 21.066 -11.953 -13.378 1.00 70.51 C ATOM 1502 CG ASP A 88 20.862 -10.770 -14.304 1.00 32.24 C ATOM 1503 OD1 ASP A 88 21.623 -9.787 -14.186 1.00 34.13 O ATOM 1504 OD2 ASP A 88 19.941 -10.827 -15.145 1.00 52.23 O ATOM 0 H ASP A 88 22.269 -14.053 -12.192 1.00 31.12 H new ATOM 0 HA ASP A 88 23.170 -11.672 -13.707 1.00 60.04 H new ATOM 0 HB2 ASP A 88 20.735 -12.863 -13.878 1.00 70.51 H new ATOM 0 HB3 ASP A 88 20.441 -11.830 -12.493 1.00 70.51 H new ATOM 1509 N ILE A 89 23.231 -12.124 -10.628 1.00 53.11 N ATOM 1510 CA ILE A 89 23.500 -11.548 -9.316 1.00 62.24 C ATOM 1511 C ILE A 89 24.948 -11.783 -8.900 1.00 21.12 C ATOM 1512 O ILE A 89 25.564 -10.935 -8.254 1.00 22.43 O ATOM 1513 CB ILE A 89 22.567 -12.135 -8.241 1.00 73.53 C ATOM 1514 CG1 ILE A 89 21.151 -12.298 -8.798 1.00 31.41 C ATOM 1515 CG2 ILE A 89 22.557 -11.248 -7.006 1.00 1.31 C ATOM 1516 CD1 ILE A 89 20.082 -11.691 -7.917 1.00 53.53 C ATOM 0 H ILE A 89 23.432 -13.121 -10.700 1.00 53.11 H new ATOM 0 HA ILE A 89 23.317 -10.477 -9.398 1.00 62.24 H new ATOM 0 HB ILE A 89 22.940 -13.118 -7.955 1.00 73.53 H new ATOM 0 HG12 ILE A 89 21.102 -11.837 -9.785 1.00 31.41 H new ATOM 0 HG13 ILE A 89 20.941 -13.359 -8.931 1.00 31.41 H new ATOM 0 HG21 ILE A 89 21.893 -11.677 -6.256 1.00 1.31 H new ATOM 0 HG22 ILE A 89 23.566 -11.178 -6.600 1.00 1.31 H new ATOM 0 HG23 ILE A 89 22.205 -10.252 -7.276 1.00 1.31 H new ATOM 0 HD11 ILE A 89 19.104 -11.844 -8.374 1.00 53.53 H new ATOM 0 HD12 ILE A 89 20.104 -12.168 -6.937 1.00 53.53 H new ATOM 0 HD13 ILE A 89 20.267 -10.623 -7.804 1.00 53.53 H new ATOM 1528 N ARG A 90 25.486 -12.939 -9.276 1.00 1.24 N ATOM 1529 CA ARG A 90 26.862 -13.285 -8.942 1.00 23.33 C ATOM 1530 C ARG A 90 27.810 -12.140 -9.286 1.00 62.44 C ATOM 1531 O ARG A 90 28.523 -11.613 -8.432 1.00 33.00 O ATOM 1532 CB ARG A 90 27.286 -14.554 -9.685 1.00 0.34 C ATOM 1533 CG ARG A 90 28.764 -14.589 -10.036 1.00 4.32 C ATOM 1534 CD ARG A 90 29.210 -15.988 -10.432 1.00 52.44 C ATOM 1535 NE ARG A 90 29.542 -16.807 -9.270 1.00 13.43 N ATOM 1536 CZ ARG A 90 29.631 -18.131 -9.305 1.00 71.54 C ATOM 1537 NH1 ARG A 90 29.414 -18.784 -10.439 1.00 44.53 N ATOM 1538 NH2 ARG A 90 29.938 -18.807 -8.205 1.00 53.22 N ATOM 0 H ARG A 90 24.990 -13.651 -9.812 1.00 1.24 H new ATOM 0 HA ARG A 90 26.914 -13.466 -7.868 1.00 23.33 H new ATOM 0 HB2 ARG A 90 27.047 -15.422 -9.070 1.00 0.34 H new ATOM 0 HB3 ARG A 90 26.702 -14.641 -10.601 1.00 0.34 H new ATOM 0 HG2 ARG A 90 28.961 -13.898 -10.855 1.00 4.32 H new ATOM 0 HG3 ARG A 90 29.350 -14.247 -9.183 1.00 4.32 H new ATOM 0 HD2 ARG A 90 28.418 -16.473 -11.003 1.00 52.44 H new ATOM 0 HD3 ARG A 90 30.079 -15.920 -11.087 1.00 52.44 H new ATOM 0 HE ARG A 90 29.715 -16.336 -8.382 1.00 13.43 H new ATOM 0 HH11 ARG A 90 29.178 -18.269 -11.287 1.00 44.53 H new ATOM 0 HH12 ARG A 90 29.483 -19.801 -10.463 1.00 44.53 H new ATOM 0 HH21 ARG A 90 30.106 -18.309 -7.331 1.00 53.22 H new ATOM 0 HH22 ARG A 90 30.006 -19.824 -8.234 1.00 53.22 H new ATOM 1552 N PRO A 91 27.821 -11.746 -10.568 1.00 73.14 N ATOM 1553 CA PRO A 91 28.676 -10.660 -11.056 1.00 23.13 C ATOM 1554 C PRO A 91 28.233 -9.296 -10.538 1.00 21.13 C ATOM 1555 O PRO A 91 28.771 -8.265 -10.939 1.00 5.32 O ATOM 1556 CB PRO A 91 28.512 -10.734 -12.576 1.00 1.12 C ATOM 1557 CG PRO A 91 27.180 -11.368 -12.783 1.00 20.25 C ATOM 1558 CD PRO A 91 26.998 -12.330 -11.641 1.00 14.31 C ATOM 0 HA PRO A 91 29.707 -10.771 -10.719 1.00 23.13 H new ATOM 0 HB2 PRO A 91 28.553 -9.743 -13.027 1.00 1.12 H new ATOM 0 HB3 PRO A 91 29.307 -11.325 -13.032 1.00 1.12 H new ATOM 0 HG2 PRO A 91 26.388 -10.619 -12.792 1.00 20.25 H new ATOM 0 HG3 PRO A 91 27.139 -11.887 -13.741 1.00 20.25 H new ATOM 0 HD2 PRO A 91 25.952 -12.410 -11.346 1.00 14.31 H new ATOM 0 HD3 PRO A 91 27.333 -13.333 -11.904 1.00 14.31 H new ATOM 1566 N MET A 92 27.249 -9.299 -9.644 1.00 43.42 N ATOM 1567 CA MET A 92 26.735 -8.060 -9.070 1.00 65.33 C ATOM 1568 C MET A 92 27.161 -7.919 -7.612 1.00 73.51 C ATOM 1569 O MET A 92 27.286 -6.808 -7.096 1.00 65.12 O ATOM 1570 CB MET A 92 25.210 -8.019 -9.175 1.00 73.10 C ATOM 1571 CG MET A 92 24.703 -7.183 -10.339 1.00 11.33 C ATOM 1572 SD MET A 92 23.264 -6.187 -9.904 1.00 32.24 S ATOM 1573 CE MET A 92 23.801 -4.564 -10.438 1.00 31.22 C ATOM 0 H MET A 92 26.792 -10.144 -9.302 1.00 43.42 H new ATOM 0 HA MET A 92 27.153 -7.226 -9.634 1.00 65.33 H new ATOM 0 HB2 MET A 92 24.834 -9.037 -9.278 1.00 73.10 H new ATOM 0 HB3 MET A 92 24.801 -7.620 -8.247 1.00 73.10 H new ATOM 0 HG2 MET A 92 25.502 -6.528 -10.686 1.00 11.33 H new ATOM 0 HG3 MET A 92 24.447 -7.841 -11.170 1.00 11.33 H new ATOM 0 HE1 MET A 92 23.016 -3.836 -10.235 1.00 31.22 H new ATOM 0 HE2 MET A 92 24.705 -4.283 -9.897 1.00 31.22 H new ATOM 0 HE3 MET A 92 24.010 -4.584 -11.508 1.00 31.22 H new ATOM 1583 N LEU A 93 27.380 -9.052 -6.953 1.00 4.53 N ATOM 1584 CA LEU A 93 27.791 -9.054 -5.553 1.00 64.20 C ATOM 1585 C LEU A 93 29.160 -8.401 -5.386 1.00 71.51 C ATOM 1586 O LEU A 93 29.311 -7.196 -5.583 1.00 34.11 O ATOM 1587 CB LEU A 93 27.827 -10.485 -5.014 1.00 63.53 C ATOM 1588 CG LEU A 93 26.516 -11.267 -5.098 1.00 32.13 C ATOM 1589 CD1 LEU A 93 26.775 -12.760 -4.973 1.00 24.40 C ATOM 1590 CD2 LEU A 93 25.547 -10.800 -4.021 1.00 24.54 C ATOM 0 H LEU A 93 27.280 -9.980 -7.365 1.00 4.53 H new ATOM 0 HA LEU A 93 27.062 -8.476 -4.985 1.00 64.20 H new ATOM 0 HB2 LEU A 93 28.592 -11.038 -5.559 1.00 63.53 H new ATOM 0 HB3 LEU A 93 28.140 -10.451 -3.971 1.00 63.53 H new ATOM 0 HG LEU A 93 26.065 -11.078 -6.072 1.00 32.13 H new ATOM 0 HD11 LEU A 93 25.830 -13.300 -5.035 1.00 24.40 H new ATOM 0 HD12 LEU A 93 27.432 -13.084 -5.780 1.00 24.40 H new ATOM 0 HD13 LEU A 93 27.249 -12.968 -4.014 1.00 24.40 H new ATOM 0 HD21 LEU A 93 24.619 -11.367 -4.096 1.00 24.54 H new ATOM 0 HD22 LEU A 93 25.991 -10.958 -3.038 1.00 24.54 H new ATOM 0 HD23 LEU A 93 25.336 -9.739 -4.157 1.00 24.54 H new ATOM 1602 N GLN A 94 30.154 -9.207 -5.024 1.00 54.53 N ATOM 1603 CA GLN A 94 31.510 -8.707 -4.833 1.00 11.42 C ATOM 1604 C GLN A 94 32.538 -9.721 -5.323 1.00 1.22 C ATOM 1605 O GLN A 94 32.527 -10.880 -4.909 1.00 22.13 O ATOM 1606 CB GLN A 94 31.755 -8.387 -3.357 1.00 54.11 C ATOM 1607 CG GLN A 94 31.713 -6.900 -3.042 1.00 34.45 C ATOM 1608 CD GLN A 94 32.775 -6.486 -2.042 1.00 53.34 C ATOM 1609 OE1 GLN A 94 33.135 -7.252 -1.148 1.00 40.41 O ATOM 1610 NE2 GLN A 94 33.283 -5.268 -2.189 1.00 53.44 N ATOM 0 H GLN A 94 30.045 -10.207 -4.857 1.00 54.53 H new ATOM 0 HA GLN A 94 31.620 -7.794 -5.418 1.00 11.42 H new ATOM 0 HB2 GLN A 94 31.006 -8.899 -2.753 1.00 54.11 H new ATOM 0 HB3 GLN A 94 32.727 -8.785 -3.064 1.00 54.11 H new ATOM 0 HG2 GLN A 94 31.846 -6.333 -3.963 1.00 34.45 H new ATOM 0 HG3 GLN A 94 30.729 -6.643 -2.649 1.00 34.45 H new ATOM 0 HE21 GLN A 94 32.955 -4.666 -2.945 1.00 53.44 H new ATOM 0 HE22 GLN A 94 34.001 -4.934 -1.546 1.00 53.44 H new ATOM 1619 N ASP A 95 33.425 -9.277 -6.207 1.00 12.33 N ATOM 1620 CA ASP A 95 34.461 -10.146 -6.753 1.00 52.41 C ATOM 1621 C ASP A 95 35.414 -10.611 -5.656 1.00 74.14 C ATOM 1622 O ASP A 95 36.153 -11.580 -5.833 1.00 11.42 O ATOM 1623 CB ASP A 95 35.241 -9.418 -7.849 1.00 2.22 C ATOM 1624 CG ASP A 95 34.342 -8.905 -8.957 1.00 22.32 C ATOM 1625 OD1 ASP A 95 33.640 -9.729 -9.580 1.00 52.22 O ATOM 1626 OD2 ASP A 95 34.340 -7.681 -9.200 1.00 3.41 O ATOM 0 H ASP A 95 33.447 -8.321 -6.561 1.00 12.33 H new ATOM 0 HA ASP A 95 33.976 -11.022 -7.184 1.00 52.41 H new ATOM 0 HB2 ASP A 95 35.784 -8.582 -7.410 1.00 2.22 H new ATOM 0 HB3 ASP A 95 35.984 -10.094 -8.272 1.00 2.22 H new ATOM 1631 N ARG A 96 35.391 -9.914 -4.525 1.00 62.20 N ATOM 1632 CA ARG A 96 36.255 -10.255 -3.401 1.00 14.33 C ATOM 1633 C ARG A 96 35.480 -11.023 -2.334 1.00 2.34 C ATOM 1634 O ARG A 96 36.059 -11.511 -1.362 1.00 72.10 O ATOM 1635 CB ARG A 96 36.861 -8.988 -2.794 1.00 33.13 C ATOM 1636 CG ARG A 96 35.850 -7.875 -2.572 1.00 52.13 C ATOM 1637 CD ARG A 96 36.451 -6.726 -1.779 1.00 5.33 C ATOM 1638 NE ARG A 96 37.588 -6.120 -2.468 1.00 75.02 N ATOM 1639 CZ ARG A 96 37.469 -5.353 -3.546 1.00 60.03 C ATOM 1640 NH1 ARG A 96 36.271 -5.099 -4.055 1.00 22.11 N ATOM 1641 NH2 ARG A 96 38.550 -4.838 -4.118 1.00 2.25 N ATOM 0 H ARG A 96 34.784 -9.110 -4.363 1.00 62.20 H new ATOM 0 HA ARG A 96 37.058 -10.892 -3.772 1.00 14.33 H new ATOM 0 HB2 ARG A 96 37.327 -9.239 -1.841 1.00 33.13 H new ATOM 0 HB3 ARG A 96 37.652 -8.624 -3.450 1.00 33.13 H new ATOM 0 HG2 ARG A 96 35.495 -7.507 -3.535 1.00 52.13 H new ATOM 0 HG3 ARG A 96 34.983 -8.270 -2.042 1.00 52.13 H new ATOM 0 HD2 ARG A 96 35.687 -5.968 -1.604 1.00 5.33 H new ATOM 0 HD3 ARG A 96 36.771 -7.088 -0.802 1.00 5.33 H new ATOM 0 HE ARG A 96 38.524 -6.295 -2.101 1.00 75.02 H new ATOM 0 HH11 ARG A 96 35.437 -5.493 -3.619 1.00 22.11 H new ATOM 0 HH12 ARG A 96 36.183 -4.510 -4.883 1.00 22.11 H new ATOM 0 HH21 ARG A 96 39.473 -5.031 -3.730 1.00 2.25 H new ATOM 0 HH22 ARG A 96 38.458 -4.249 -4.946 1.00 2.25 H new ATOM 1655 N LEU A 97 34.169 -11.125 -2.521 1.00 20.34 N ATOM 1656 CA LEU A 97 33.314 -11.834 -1.574 1.00 43.51 C ATOM 1657 C LEU A 97 33.577 -13.335 -1.622 1.00 34.34 C ATOM 1658 O LEU A 97 33.221 -14.067 -0.698 1.00 22.14 O ATOM 1659 CB LEU A 97 31.842 -11.552 -1.877 1.00 14.32 C ATOM 1660 CG LEU A 97 30.836 -12.043 -0.835 1.00 21.21 C ATOM 1661 CD1 LEU A 97 30.745 -11.062 0.323 1.00 11.14 C ATOM 1662 CD2 LEU A 97 29.469 -12.251 -1.470 1.00 13.54 C ATOM 0 H LEU A 97 33.674 -10.726 -3.319 1.00 20.34 H new ATOM 0 HA LEU A 97 33.547 -11.475 -0.572 1.00 43.51 H new ATOM 0 HB2 LEU A 97 31.716 -10.476 -1.996 1.00 14.32 H new ATOM 0 HB3 LEU A 97 31.595 -12.009 -2.835 1.00 14.32 H new ATOM 0 HG LEU A 97 31.183 -13.000 -0.446 1.00 21.21 H new ATOM 0 HD11 LEU A 97 30.024 -11.428 1.054 1.00 11.14 H new ATOM 0 HD12 LEU A 97 31.723 -10.964 0.795 1.00 11.14 H new ATOM 0 HD13 LEU A 97 30.422 -10.089 -0.049 1.00 11.14 H new ATOM 0 HD21 LEU A 97 28.766 -12.600 -0.714 1.00 13.54 H new ATOM 0 HD22 LEU A 97 29.114 -11.309 -1.887 1.00 13.54 H new ATOM 0 HD23 LEU A 97 29.546 -12.993 -2.264 1.00 13.54 H new ATOM 1674 N ARG A 98 34.203 -13.788 -2.703 1.00 54.53 N ATOM 1675 CA ARG A 98 34.514 -15.202 -2.871 1.00 13.03 C ATOM 1676 C ARG A 98 33.237 -16.030 -2.986 1.00 12.45 C ATOM 1677 O ARG A 98 32.141 -15.573 -2.660 1.00 74.15 O ATOM 1678 CB ARG A 98 35.355 -15.703 -1.696 1.00 22.53 C ATOM 1679 CG ARG A 98 36.824 -15.893 -2.036 1.00 64.30 C ATOM 1680 CD ARG A 98 37.413 -17.095 -1.313 1.00 51.31 C ATOM 1681 NE ARG A 98 38.873 -17.086 -1.336 1.00 61.24 N ATOM 1682 CZ ARG A 98 39.617 -16.355 -0.514 1.00 40.53 C ATOM 1683 NH1 ARG A 98 39.041 -15.577 0.391 1.00 15.44 N ATOM 1684 NH2 ARG A 98 40.941 -16.401 -0.597 1.00 15.50 N ATOM 0 H ARG A 98 34.505 -13.195 -3.476 1.00 54.53 H new ATOM 0 HA ARG A 98 35.084 -15.316 -3.793 1.00 13.03 H new ATOM 0 HB2 ARG A 98 35.270 -14.995 -0.872 1.00 22.53 H new ATOM 0 HB3 ARG A 98 34.946 -16.651 -1.346 1.00 22.53 H new ATOM 0 HG2 ARG A 98 36.935 -16.024 -3.112 1.00 64.30 H new ATOM 0 HG3 ARG A 98 37.380 -14.996 -1.765 1.00 64.30 H new ATOM 0 HD2 ARG A 98 37.067 -17.102 -0.279 1.00 51.31 H new ATOM 0 HD3 ARG A 98 37.049 -18.011 -1.777 1.00 51.31 H new ATOM 0 HE ARG A 98 39.348 -17.674 -2.021 1.00 61.24 H new ATOM 0 HH11 ARG A 98 38.024 -15.539 0.457 1.00 15.44 H new ATOM 0 HH12 ARG A 98 39.615 -15.017 1.021 1.00 15.44 H new ATOM 0 HH21 ARG A 98 41.388 -16.998 -1.293 1.00 15.50 H new ATOM 0 HH22 ARG A 98 41.511 -15.839 0.035 1.00 15.50 H new ATOM 1698 N PRO A 99 33.380 -17.276 -3.459 1.00 60.25 N ATOM 1699 CA PRO A 99 32.249 -18.194 -3.628 1.00 42.42 C ATOM 1700 C PRO A 99 31.678 -18.661 -2.294 1.00 61.40 C ATOM 1701 O PRO A 99 31.825 -19.824 -1.919 1.00 23.54 O ATOM 1702 CB PRO A 99 32.859 -19.372 -4.391 1.00 43.14 C ATOM 1703 CG PRO A 99 34.308 -19.338 -4.046 1.00 10.23 C ATOM 1704 CD PRO A 99 34.657 -17.886 -3.867 1.00 31.24 C ATOM 0 HA PRO A 99 31.414 -17.721 -4.145 1.00 42.42 H new ATOM 0 HB2 PRO A 99 32.403 -20.316 -4.092 1.00 43.14 H new ATOM 0 HB3 PRO A 99 32.705 -19.270 -5.465 1.00 43.14 H new ATOM 0 HG2 PRO A 99 34.505 -19.902 -3.134 1.00 10.23 H new ATOM 0 HG3 PRO A 99 34.908 -19.789 -4.836 1.00 10.23 H new ATOM 0 HD2 PRO A 99 35.428 -17.749 -3.109 1.00 31.24 H new ATOM 0 HD3 PRO A 99 35.035 -17.447 -4.790 1.00 31.24 H new ATOM 1712 N SER A 100 31.026 -17.748 -1.582 1.00 32.21 N ATOM 1713 CA SER A 100 30.435 -18.067 -0.287 1.00 42.03 C ATOM 1714 C SER A 100 28.948 -18.375 -0.430 1.00 31.22 C ATOM 1715 O SER A 100 28.361 -19.060 0.409 1.00 52.35 O ATOM 1716 CB SER A 100 30.636 -16.906 0.688 1.00 12.34 C ATOM 1717 OG SER A 100 31.047 -15.733 0.008 1.00 42.14 O ATOM 0 H SER A 100 30.893 -16.781 -1.880 1.00 32.21 H new ATOM 0 HA SER A 100 30.935 -18.952 0.105 1.00 42.03 H new ATOM 0 HB2 SER A 100 29.707 -16.712 1.224 1.00 12.34 H new ATOM 0 HB3 SER A 100 31.383 -17.178 1.433 1.00 12.34 H new ATOM 0 HG SER A 100 31.439 -15.104 0.649 1.00 42.14 H new ATOM 1723 N PHE A 101 28.344 -17.865 -1.498 1.00 10.32 N ATOM 1724 CA PHE A 101 26.925 -18.084 -1.751 1.00 53.32 C ATOM 1725 C PHE A 101 26.583 -19.569 -1.684 1.00 61.42 C ATOM 1726 O PHE A 101 25.651 -19.972 -0.989 1.00 72.12 O ATOM 1727 CB PHE A 101 26.537 -17.521 -3.120 1.00 55.10 C ATOM 1728 CG PHE A 101 25.206 -16.824 -3.126 1.00 71.34 C ATOM 1729 CD1 PHE A 101 24.125 -17.362 -2.447 1.00 15.52 C ATOM 1730 CD2 PHE A 101 25.036 -15.632 -3.812 1.00 63.44 C ATOM 1731 CE1 PHE A 101 22.899 -16.723 -2.450 1.00 53.23 C ATOM 1732 CE2 PHE A 101 23.813 -14.989 -3.819 1.00 61.10 C ATOM 1733 CZ PHE A 101 22.743 -15.536 -3.138 1.00 53.52 C ATOM 0 H PHE A 101 28.815 -17.297 -2.202 1.00 10.32 H new ATOM 0 HA PHE A 101 26.359 -17.564 -0.978 1.00 53.32 H new ATOM 0 HB2 PHE A 101 27.306 -16.821 -3.448 1.00 55.10 H new ATOM 0 HB3 PHE A 101 26.516 -18.334 -3.846 1.00 55.10 H new ATOM 0 HD1 PHE A 101 24.241 -18.291 -1.909 1.00 15.52 H new ATOM 0 HD2 PHE A 101 25.869 -15.201 -4.347 1.00 63.44 H new ATOM 0 HE1 PHE A 101 22.064 -17.152 -1.915 1.00 53.23 H new ATOM 0 HE2 PHE A 101 23.694 -14.060 -4.356 1.00 61.10 H new ATOM 0 HZ PHE A 101 21.786 -15.036 -3.144 1.00 53.52 H new ATOM 1743 N ALA A 102 27.345 -20.379 -2.412 1.00 50.05 N ATOM 1744 CA ALA A 102 27.125 -21.820 -2.435 1.00 51.32 C ATOM 1745 C ALA A 102 27.137 -22.399 -1.025 1.00 30.22 C ATOM 1746 O ALA A 102 26.592 -23.475 -0.780 1.00 35.53 O ATOM 1747 CB ALA A 102 28.178 -22.501 -3.297 1.00 13.11 C ATOM 0 H ALA A 102 28.120 -20.062 -2.994 1.00 50.05 H new ATOM 0 HA ALA A 102 26.142 -22.006 -2.868 1.00 51.32 H new ATOM 0 HB1 ALA A 102 28.002 -23.577 -3.305 1.00 13.11 H new ATOM 0 HB2 ALA A 102 28.119 -22.116 -4.315 1.00 13.11 H new ATOM 0 HB3 ALA A 102 29.168 -22.299 -2.889 1.00 13.11 H new ATOM 1753 N LYS A 103 27.763 -21.680 -0.100 1.00 1.51 N ATOM 1754 CA LYS A 103 27.846 -22.121 1.287 1.00 24.22 C ATOM 1755 C LYS A 103 26.773 -21.449 2.138 1.00 60.44 C ATOM 1756 O LYS A 103 26.425 -21.937 3.213 1.00 55.45 O ATOM 1757 CB LYS A 103 29.232 -21.814 1.860 1.00 40.25 C ATOM 1758 CG LYS A 103 30.235 -22.937 1.661 1.00 40.00 C ATOM 1759 CD LYS A 103 30.532 -23.166 0.188 1.00 1.54 C ATOM 1760 CE LYS A 103 31.835 -23.926 -0.006 1.00 2.51 C ATOM 1761 NZ LYS A 103 31.683 -25.375 0.299 1.00 74.21 N ATOM 0 H LYS A 103 28.221 -20.788 -0.286 1.00 1.51 H new ATOM 0 HA LYS A 103 27.680 -23.198 1.309 1.00 24.22 H new ATOM 0 HB2 LYS A 103 29.617 -20.908 1.392 1.00 40.25 H new ATOM 0 HB3 LYS A 103 29.138 -21.607 2.926 1.00 40.25 H new ATOM 0 HG2 LYS A 103 31.159 -22.698 2.186 1.00 40.00 H new ATOM 0 HG3 LYS A 103 29.847 -23.855 2.102 1.00 40.00 H new ATOM 0 HD2 LYS A 103 29.713 -23.723 -0.267 1.00 1.54 H new ATOM 0 HD3 LYS A 103 30.589 -22.207 -0.326 1.00 1.54 H new ATOM 0 HE2 LYS A 103 32.176 -23.805 -1.034 1.00 2.51 H new ATOM 0 HE3 LYS A 103 32.604 -23.498 0.637 1.00 2.51 H new ATOM 0 HZ1 LYS A 103 32.593 -25.857 0.155 1.00 74.21 H new ATOM 0 HZ2 LYS A 103 31.382 -25.492 1.288 1.00 74.21 H new ATOM 0 HZ3 LYS A 103 30.968 -25.789 -0.332 1.00 74.21 H new ATOM 1775 N ALA A 104 26.252 -20.329 1.648 1.00 30.11 N ATOM 1776 CA ALA A 104 25.216 -19.593 2.362 1.00 51.03 C ATOM 1777 C ALA A 104 23.827 -20.102 1.991 1.00 11.14 C ATOM 1778 O ALA A 104 22.852 -19.840 2.696 1.00 33.42 O ATOM 1779 CB ALA A 104 25.330 -18.104 2.069 1.00 32.14 C ATOM 0 H ALA A 104 26.530 -19.912 0.760 1.00 30.11 H new ATOM 0 HA ALA A 104 25.360 -19.754 3.430 1.00 51.03 H new ATOM 0 HB1 ALA A 104 24.550 -17.566 2.609 1.00 32.14 H new ATOM 0 HB2 ALA A 104 26.308 -17.744 2.390 1.00 32.14 H new ATOM 0 HB3 ALA A 104 25.214 -17.934 0.999 1.00 32.14 H new ATOM 1785 N ILE A 105 23.745 -20.829 0.882 1.00 14.31 N ATOM 1786 CA ILE A 105 22.475 -21.374 0.419 1.00 35.13 C ATOM 1787 C ILE A 105 21.708 -22.029 1.563 1.00 12.45 C ATOM 1788 O ILE A 105 20.539 -21.730 1.812 1.00 45.21 O ATOM 1789 CB ILE A 105 22.681 -22.408 -0.703 1.00 25.41 C ATOM 1790 CG1 ILE A 105 23.123 -21.713 -1.992 1.00 44.11 C ATOM 1791 CG2 ILE A 105 21.404 -23.202 -0.934 1.00 2.02 C ATOM 1792 CD1 ILE A 105 22.274 -20.515 -2.354 1.00 51.22 C ATOM 0 H ILE A 105 24.543 -21.054 0.288 1.00 14.31 H new ATOM 0 HA ILE A 105 21.897 -20.537 0.029 1.00 35.13 H new ATOM 0 HB ILE A 105 23.466 -23.101 -0.398 1.00 25.41 H new ATOM 0 HG12 ILE A 105 24.160 -21.395 -1.886 1.00 44.11 H new ATOM 0 HG13 ILE A 105 23.092 -22.431 -2.811 1.00 44.11 H new ATOM 0 HG21 ILE A 105 21.566 -23.929 -1.730 1.00 2.02 H new ATOM 0 HG22 ILE A 105 21.129 -23.724 -0.017 1.00 2.02 H new ATOM 0 HG23 ILE A 105 20.600 -22.523 -1.220 1.00 2.02 H new ATOM 0 HD11 ILE A 105 22.645 -20.072 -3.278 1.00 51.22 H new ATOM 0 HD12 ILE A 105 21.240 -20.830 -2.492 1.00 51.22 H new ATOM 0 HD13 ILE A 105 22.325 -19.778 -1.553 1.00 51.22 H new ATOM 1804 N PRO A 106 22.380 -22.942 2.279 1.00 34.45 N ATOM 1805 CA PRO A 106 21.782 -23.657 3.411 1.00 12.14 C ATOM 1806 C PRO A 106 21.545 -22.747 4.612 1.00 45.22 C ATOM 1807 O PRO A 106 20.632 -22.976 5.406 1.00 43.30 O ATOM 1808 CB PRO A 106 22.825 -24.725 3.747 1.00 23.25 C ATOM 1809 CG PRO A 106 24.115 -24.163 3.257 1.00 54.02 C ATOM 1810 CD PRO A 106 23.775 -23.348 2.040 1.00 74.24 C ATOM 0 HA PRO A 106 20.801 -24.063 3.164 1.00 12.14 H new ATOM 0 HB2 PRO A 106 22.860 -24.921 4.819 1.00 23.25 H new ATOM 0 HB3 PRO A 106 22.594 -25.671 3.258 1.00 23.25 H new ATOM 0 HG2 PRO A 106 24.587 -23.545 4.021 1.00 54.02 H new ATOM 0 HG3 PRO A 106 24.819 -24.958 3.010 1.00 54.02 H new ATOM 0 HD2 PRO A 106 24.433 -22.485 1.938 1.00 74.24 H new ATOM 0 HD3 PRO A 106 23.872 -23.933 1.125 1.00 74.24 H new ATOM 1818 N CYS A 107 22.373 -21.715 4.738 1.00 74.11 N ATOM 1819 CA CYS A 107 22.253 -20.770 5.843 1.00 63.14 C ATOM 1820 C CYS A 107 21.087 -19.814 5.617 1.00 74.12 C ATOM 1821 O CYS A 107 20.608 -19.169 6.551 1.00 23.51 O ATOM 1822 CB CYS A 107 23.552 -19.979 6.007 1.00 70.30 C ATOM 1823 SG CYS A 107 25.048 -20.993 5.935 1.00 54.35 S ATOM 0 H CYS A 107 23.134 -21.512 4.089 1.00 74.11 H new ATOM 0 HA CYS A 107 22.063 -21.337 6.754 1.00 63.14 H new ATOM 0 HB2 CYS A 107 23.603 -19.219 5.227 1.00 70.30 H new ATOM 0 HB3 CYS A 107 23.527 -19.454 6.962 1.00 70.30 H new ATOM 0 HG CYS A 107 25.256 -21.373 4.709 1.00 54.35 H new ATOM 1829 N LEU A 108 20.634 -19.726 4.371 1.00 14.22 N ATOM 1830 CA LEU A 108 19.523 -18.847 4.021 1.00 2.23 C ATOM 1831 C LEU A 108 18.193 -19.587 4.114 1.00 13.11 C ATOM 1832 O LEU A 108 17.178 -19.012 4.509 1.00 72.53 O ATOM 1833 CB LEU A 108 19.713 -18.290 2.609 1.00 31.22 C ATOM 1834 CG LEU A 108 20.385 -16.920 2.512 1.00 24.43 C ATOM 1835 CD1 LEU A 108 19.441 -15.827 2.988 1.00 61.30 C ATOM 1836 CD2 LEU A 108 21.676 -16.901 3.319 1.00 74.51 C ATOM 0 H LEU A 108 21.019 -20.252 3.586 1.00 14.22 H new ATOM 0 HA LEU A 108 19.508 -18.021 4.732 1.00 2.23 H new ATOM 0 HB2 LEU A 108 20.304 -19.004 2.035 1.00 31.22 H new ATOM 0 HB3 LEU A 108 18.736 -18.228 2.130 1.00 31.22 H new ATOM 0 HG LEU A 108 20.630 -16.730 1.467 1.00 24.43 H new ATOM 0 HD11 LEU A 108 19.937 -14.859 2.912 1.00 61.30 H new ATOM 0 HD12 LEU A 108 18.544 -15.825 2.368 1.00 61.30 H new ATOM 0 HD13 LEU A 108 19.164 -16.012 4.026 1.00 61.30 H new ATOM 0 HD21 LEU A 108 22.141 -15.918 3.239 1.00 74.51 H new ATOM 0 HD22 LEU A 108 21.454 -17.113 4.365 1.00 74.51 H new ATOM 0 HD23 LEU A 108 22.358 -17.658 2.932 1.00 74.51 H new ATOM 1848 N ARG A 109 18.206 -20.865 3.750 1.00 52.11 N ATOM 1849 CA ARG A 109 17.000 -21.684 3.793 1.00 25.00 C ATOM 1850 C ARG A 109 16.770 -22.239 5.196 1.00 63.24 C ATOM 1851 O ARG A 109 15.632 -22.475 5.602 1.00 1.24 O ATOM 1852 CB ARG A 109 17.103 -22.833 2.789 1.00 60.34 C ATOM 1853 CG ARG A 109 18.280 -23.760 3.042 1.00 24.50 C ATOM 1854 CD ARG A 109 18.667 -24.526 1.786 1.00 4.31 C ATOM 1855 NE ARG A 109 19.208 -25.847 2.095 1.00 41.31 N ATOM 1856 CZ ARG A 109 19.363 -26.807 1.190 1.00 4.03 C ATOM 1857 NH1 ARG A 109 19.021 -26.594 -0.073 1.00 22.12 N ATOM 1858 NH2 ARG A 109 19.862 -27.983 1.548 1.00 24.25 N ATOM 0 H ARG A 109 19.038 -21.356 3.422 1.00 52.11 H new ATOM 0 HA ARG A 109 16.152 -21.053 3.527 1.00 25.00 H new ATOM 0 HB2 ARG A 109 16.181 -23.414 2.819 1.00 60.34 H new ATOM 0 HB3 ARG A 109 17.187 -22.419 1.784 1.00 60.34 H new ATOM 0 HG2 ARG A 109 19.133 -23.179 3.392 1.00 24.50 H new ATOM 0 HG3 ARG A 109 18.026 -24.464 3.835 1.00 24.50 H new ATOM 0 HD2 ARG A 109 17.793 -24.633 1.143 1.00 4.31 H new ATOM 0 HD3 ARG A 109 19.406 -23.954 1.226 1.00 4.31 H new ATOM 0 HE ARG A 109 19.482 -26.043 3.058 1.00 41.31 H new ATOM 0 HH11 ARG A 109 18.638 -25.691 -0.352 1.00 22.12 H new ATOM 0 HH12 ARG A 109 19.141 -27.333 -0.766 1.00 22.12 H new ATOM 0 HH21 ARG A 109 20.127 -28.150 2.519 1.00 24.25 H new ATOM 0 HH22 ARG A 109 19.981 -28.720 0.853 1.00 24.25 H new ATOM 1872 N HIS A 110 17.858 -22.446 5.930 1.00 25.44 N ATOM 1873 CA HIS A 110 17.775 -22.974 7.288 1.00 43.12 C ATOM 1874 C HIS A 110 16.886 -22.092 8.160 1.00 63.33 C ATOM 1875 O HIS A 110 16.374 -22.536 9.188 1.00 1.41 O ATOM 1876 CB HIS A 110 19.171 -23.078 7.903 1.00 31.34 C ATOM 1877 CG HIS A 110 19.160 -23.477 9.347 1.00 5.41 C ATOM 1878 ND1 HIS A 110 18.601 -24.653 9.799 1.00 23.12 N ATOM 1879 CD2 HIS A 110 19.647 -22.848 10.443 1.00 53.54 C ATOM 1880 CE1 HIS A 110 18.742 -24.730 11.110 1.00 5.25 C ATOM 1881 NE2 HIS A 110 19.374 -23.647 11.526 1.00 42.44 N ATOM 0 H HIS A 110 18.807 -22.257 5.608 1.00 25.44 H new ATOM 0 HA HIS A 110 17.333 -23.969 7.239 1.00 43.12 H new ATOM 0 HB2 HIS A 110 19.755 -23.805 7.338 1.00 31.34 H new ATOM 0 HB3 HIS A 110 19.676 -22.117 7.804 1.00 31.34 H new ATOM 0 HD2 HIS A 110 20.155 -21.895 10.462 1.00 53.54 H new ATOM 0 HE1 HIS A 110 18.399 -25.541 11.736 1.00 5.25 H new ATOM 0 HE2 HIS A 110 19.619 -23.438 12.494 1.00 42.44 H new ATOM 1889 N ILE A 111 16.709 -20.843 7.743 1.00 73.44 N ATOM 1890 CA ILE A 111 15.882 -19.901 8.486 1.00 53.34 C ATOM 1891 C ILE A 111 14.520 -19.722 7.822 1.00 22.33 C ATOM 1892 O ILE A 111 13.628 -19.080 8.376 1.00 32.35 O ATOM 1893 CB ILE A 111 16.565 -18.526 8.607 1.00 43.14 C ATOM 1894 CG1 ILE A 111 17.066 -18.059 7.238 1.00 1.13 C ATOM 1895 CG2 ILE A 111 17.713 -18.591 9.603 1.00 62.11 C ATOM 1896 CD1 ILE A 111 17.335 -16.572 7.169 1.00 44.03 C ATOM 0 H ILE A 111 17.127 -20.460 6.895 1.00 73.44 H new ATOM 0 HA ILE A 111 15.746 -20.320 9.483 1.00 53.34 H new ATOM 0 HB ILE A 111 15.834 -17.804 8.971 1.00 43.14 H new ATOM 0 HG12 ILE A 111 17.981 -18.598 6.992 1.00 1.13 H new ATOM 0 HG13 ILE A 111 16.328 -18.322 6.481 1.00 1.13 H new ATOM 0 HG21 ILE A 111 18.186 -17.612 9.678 1.00 62.11 H new ATOM 0 HG22 ILE A 111 17.330 -18.885 10.580 1.00 62.11 H new ATOM 0 HG23 ILE A 111 18.446 -19.323 9.266 1.00 62.11 H new ATOM 0 HD11 ILE A 111 17.687 -16.312 6.171 1.00 44.03 H new ATOM 0 HD12 ILE A 111 16.417 -16.026 7.384 1.00 44.03 H new ATOM 0 HD13 ILE A 111 18.096 -16.305 7.903 1.00 44.03 H new ATOM 1908 N ARG A 112 14.368 -20.296 6.633 1.00 34.34 N ATOM 1909 CA ARG A 112 13.114 -20.201 5.894 1.00 24.35 C ATOM 1910 C ARG A 112 12.882 -18.777 5.399 1.00 12.11 C ATOM 1911 O ARG A 112 11.860 -18.162 5.704 1.00 32.23 O ATOM 1912 CB ARG A 112 11.944 -20.644 6.774 1.00 30.14 C ATOM 1913 CG ARG A 112 11.264 -21.914 6.289 1.00 14.25 C ATOM 1914 CD ARG A 112 11.986 -23.157 6.785 1.00 13.13 C ATOM 1915 NE ARG A 112 11.885 -23.307 8.234 1.00 32.15 N ATOM 1916 CZ ARG A 112 10.831 -23.836 8.847 1.00 44.01 C ATOM 1917 NH1 ARG A 112 9.795 -24.263 8.140 1.00 75.34 N ATOM 1918 NH2 ARG A 112 10.814 -23.939 10.170 1.00 51.32 N ATOM 0 H ARG A 112 15.097 -20.831 6.161 1.00 34.34 H new ATOM 0 HA ARG A 112 13.179 -20.862 5.029 1.00 24.35 H new ATOM 0 HB2 ARG A 112 12.304 -20.800 7.791 1.00 30.14 H new ATOM 0 HB3 ARG A 112 11.208 -19.841 6.816 1.00 30.14 H new ATOM 0 HG2 ARG A 112 10.231 -21.930 6.635 1.00 14.25 H new ATOM 0 HG3 ARG A 112 11.235 -21.919 5.199 1.00 14.25 H new ATOM 0 HD2 ARG A 112 11.566 -24.038 6.299 1.00 13.13 H new ATOM 0 HD3 ARG A 112 13.036 -23.105 6.498 1.00 13.13 H new ATOM 0 HE ARG A 112 12.666 -22.988 8.807 1.00 32.15 H new ATOM 0 HH11 ARG A 112 9.805 -24.186 7.123 1.00 75.34 H new ATOM 0 HH12 ARG A 112 8.987 -24.669 8.613 1.00 75.34 H new ATOM 0 HH21 ARG A 112 11.610 -23.612 10.717 1.00 51.32 H new ATOM 0 HH22 ARG A 112 10.005 -24.345 10.640 1.00 51.32 H new ATOM 1932 N ARG A 113 13.837 -18.259 4.634 1.00 0.31 N ATOM 1933 CA ARG A 113 13.737 -16.907 4.098 1.00 2.52 C ATOM 1934 C ARG A 113 13.726 -16.926 2.572 1.00 12.14 C ATOM 1935 O ARG A 113 13.099 -16.079 1.936 1.00 52.41 O ATOM 1936 CB ARG A 113 14.901 -16.049 4.599 1.00 32.23 C ATOM 1937 CG ARG A 113 14.882 -14.626 4.067 1.00 51.40 C ATOM 1938 CD ARG A 113 14.736 -13.612 5.191 1.00 35.33 C ATOM 1939 NE ARG A 113 13.614 -13.929 6.071 1.00 75.00 N ATOM 1940 CZ ARG A 113 12.352 -13.620 5.793 1.00 32.10 C ATOM 1941 NH1 ARG A 113 12.053 -12.990 4.665 1.00 21.23 N ATOM 1942 NH2 ARG A 113 11.386 -13.942 6.644 1.00 52.01 N ATOM 0 H ARG A 113 14.689 -18.755 4.371 1.00 0.31 H new ATOM 0 HA ARG A 113 12.799 -16.474 4.446 1.00 2.52 H new ATOM 0 HB2 ARG A 113 14.878 -16.021 5.688 1.00 32.23 H new ATOM 0 HB3 ARG A 113 15.840 -16.523 4.312 1.00 32.23 H new ATOM 0 HG2 ARG A 113 15.802 -14.430 3.516 1.00 51.40 H new ATOM 0 HG3 ARG A 113 14.058 -14.511 3.363 1.00 51.40 H new ATOM 0 HD2 ARG A 113 15.657 -13.582 5.774 1.00 35.33 H new ATOM 0 HD3 ARG A 113 14.594 -12.618 4.767 1.00 35.33 H new ATOM 0 HE ARG A 113 13.810 -14.414 6.947 1.00 75.00 H new ATOM 0 HH11 ARG A 113 12.793 -12.741 4.008 1.00 21.23 H new ATOM 0 HH12 ARG A 113 11.083 -12.754 4.454 1.00 21.23 H new ATOM 0 HH21 ARG A 113 11.612 -14.427 7.512 1.00 52.01 H new ATOM 0 HH22 ARG A 113 10.417 -13.704 6.430 1.00 52.01 H new ATOM 1956 N ILE A 114 14.423 -17.897 1.993 1.00 24.21 N ATOM 1957 CA ILE A 114 14.493 -18.027 0.543 1.00 52.31 C ATOM 1958 C ILE A 114 14.583 -19.491 0.125 1.00 11.54 C ATOM 1959 O ILE A 114 14.596 -20.387 0.969 1.00 63.43 O ATOM 1960 CB ILE A 114 15.701 -17.265 -0.033 1.00 50.11 C ATOM 1961 CG1 ILE A 114 16.999 -18.013 0.279 1.00 50.50 C ATOM 1962 CG2 ILE A 114 15.751 -15.851 0.525 1.00 14.52 C ATOM 1963 CD1 ILE A 114 17.524 -18.823 -0.885 1.00 61.40 C ATOM 0 H ILE A 114 14.948 -18.606 2.506 1.00 24.21 H new ATOM 0 HA ILE A 114 13.576 -17.594 0.143 1.00 52.31 H new ATOM 0 HB ILE A 114 15.590 -17.203 -1.116 1.00 50.11 H new ATOM 0 HG12 ILE A 114 17.759 -17.294 0.583 1.00 50.50 H new ATOM 0 HG13 ILE A 114 16.831 -18.677 1.127 1.00 50.50 H new ATOM 0 HG21 ILE A 114 16.610 -15.326 0.108 1.00 14.52 H new ATOM 0 HG22 ILE A 114 14.837 -15.321 0.257 1.00 14.52 H new ATOM 0 HG23 ILE A 114 15.842 -15.891 1.610 1.00 14.52 H new ATOM 0 HD11 ILE A 114 18.446 -19.326 -0.592 1.00 61.40 H new ATOM 0 HD12 ILE A 114 16.781 -19.566 -1.175 1.00 61.40 H new ATOM 0 HD13 ILE A 114 17.724 -18.161 -1.728 1.00 61.40 H new ATOM 1975 N ARG A 115 14.646 -19.725 -1.181 1.00 42.33 N ATOM 1976 CA ARG A 115 14.736 -21.080 -1.711 1.00 50.11 C ATOM 1977 C ARG A 115 15.638 -21.124 -2.941 1.00 22.21 C ATOM 1978 O ARG A 115 16.070 -20.087 -3.443 1.00 12.01 O ATOM 1979 CB ARG A 115 13.344 -21.604 -2.068 1.00 33.23 C ATOM 1980 CG ARG A 115 12.649 -22.318 -0.919 1.00 42.24 C ATOM 1981 CD ARG A 115 11.978 -23.600 -1.385 1.00 74.12 C ATOM 1982 NE ARG A 115 12.195 -24.702 -0.452 1.00 33.04 N ATOM 1983 CZ ARG A 115 11.787 -25.946 -0.675 1.00 75.14 C ATOM 1984 NH1 ARG A 115 11.144 -26.245 -1.796 1.00 14.02 N ATOM 1985 NH2 ARG A 115 12.022 -26.894 0.222 1.00 33.54 N ATOM 0 H ARG A 115 14.636 -18.994 -1.892 1.00 42.33 H new ATOM 0 HA ARG A 115 15.170 -21.717 -0.940 1.00 50.11 H new ATOM 0 HB2 ARG A 115 12.724 -20.769 -2.395 1.00 33.23 H new ATOM 0 HB3 ARG A 115 13.428 -22.288 -2.912 1.00 33.23 H new ATOM 0 HG2 ARG A 115 13.375 -22.549 -0.140 1.00 42.24 H new ATOM 0 HG3 ARG A 115 11.905 -21.657 -0.475 1.00 42.24 H new ATOM 0 HD2 ARG A 115 10.908 -23.428 -1.500 1.00 74.12 H new ATOM 0 HD3 ARG A 115 12.364 -23.875 -2.367 1.00 74.12 H new ATOM 0 HE ARG A 115 12.687 -24.505 0.419 1.00 33.04 H new ATOM 0 HH11 ARG A 115 10.962 -25.519 -2.489 1.00 14.02 H new ATOM 0 HH12 ARG A 115 10.832 -27.201 -1.965 1.00 14.02 H new ATOM 0 HH21 ARG A 115 12.517 -26.668 1.085 1.00 33.54 H new ATOM 0 HH22 ARG A 115 11.708 -27.849 0.049 1.00 33.54 H new ATOM 1999 N GLU A 116 15.919 -22.332 -3.420 1.00 33.23 N ATOM 2000 CA GLU A 116 16.771 -22.511 -4.590 1.00 13.35 C ATOM 2001 C GLU A 116 16.307 -23.701 -5.424 1.00 32.21 C ATOM 2002 O GLU A 116 16.150 -24.808 -4.910 1.00 72.11 O ATOM 2003 CB GLU A 116 18.226 -22.710 -4.162 1.00 44.43 C ATOM 2004 CG GLU A 116 18.377 -23.273 -2.759 1.00 64.34 C ATOM 2005 CD GLU A 116 17.660 -24.597 -2.582 1.00 73.22 C ATOM 2006 OE1 GLU A 116 18.106 -25.599 -3.178 1.00 63.33 O ATOM 2007 OE2 GLU A 116 16.651 -24.631 -1.847 1.00 11.44 O ATOM 0 H GLU A 116 15.569 -23.201 -3.016 1.00 33.23 H new ATOM 0 HA GLU A 116 16.699 -21.612 -5.201 1.00 13.35 H new ATOM 0 HB2 GLU A 116 18.715 -23.381 -4.868 1.00 44.43 H new ATOM 0 HB3 GLU A 116 18.746 -21.754 -4.219 1.00 44.43 H new ATOM 0 HG2 GLU A 116 19.436 -23.405 -2.536 1.00 64.34 H new ATOM 0 HG3 GLU A 116 17.987 -22.554 -2.039 1.00 64.34 H new ATOM 2014 N GLU A 117 16.089 -23.463 -6.714 1.00 30.53 N ATOM 2015 CA GLU A 117 15.642 -24.516 -7.619 1.00 13.43 C ATOM 2016 C GLU A 117 16.716 -24.836 -8.654 1.00 51.53 C ATOM 2017 O GLU A 117 16.948 -24.061 -9.583 1.00 31.40 O ATOM 2018 CB GLU A 117 14.348 -24.099 -8.322 1.00 2.43 C ATOM 2019 CG GLU A 117 13.824 -25.138 -9.298 1.00 51.24 C ATOM 2020 CD GLU A 117 12.521 -25.763 -8.841 1.00 33.43 C ATOM 2021 OE1 GLU A 117 12.274 -25.790 -7.617 1.00 32.03 O ATOM 2022 OE2 GLU A 117 11.748 -26.226 -9.706 1.00 22.34 O ATOM 0 H GLU A 117 16.214 -22.552 -7.155 1.00 30.53 H new ATOM 0 HA GLU A 117 15.453 -25.412 -7.028 1.00 13.43 H new ATOM 0 HB2 GLU A 117 13.584 -23.901 -7.570 1.00 2.43 H new ATOM 0 HB3 GLU A 117 14.520 -23.165 -8.856 1.00 2.43 H new ATOM 0 HG2 GLU A 117 13.677 -24.674 -10.273 1.00 51.24 H new ATOM 0 HG3 GLU A 117 14.572 -25.920 -9.427 1.00 51.24 H new ATOM 2029 N ARG A 118 17.368 -25.981 -8.487 1.00 25.12 N ATOM 2030 CA ARG A 118 18.419 -26.403 -9.405 1.00 62.21 C ATOM 2031 C ARG A 118 17.824 -27.041 -10.657 1.00 34.34 C ATOM 2032 O ARG A 118 17.394 -28.196 -10.633 1.00 4.53 O ATOM 2033 CB ARG A 118 19.362 -27.391 -8.715 1.00 42.15 C ATOM 2034 CG ARG A 118 18.674 -28.661 -8.242 1.00 11.42 C ATOM 2035 CD ARG A 118 19.184 -29.883 -8.989 1.00 3.22 C ATOM 2036 NE ARG A 118 19.859 -30.825 -8.100 1.00 74.40 N ATOM 2037 CZ ARG A 118 21.108 -30.671 -7.677 1.00 23.11 C ATOM 2038 NH1 ARG A 118 21.816 -29.617 -8.059 1.00 72.03 N ATOM 2039 NH2 ARG A 118 21.653 -31.572 -6.869 1.00 75.21 N ATOM 0 H ARG A 118 17.187 -26.634 -7.724 1.00 25.12 H new ATOM 0 HA ARG A 118 18.984 -25.519 -9.702 1.00 62.21 H new ATOM 0 HB2 ARG A 118 20.163 -27.657 -9.404 1.00 42.15 H new ATOM 0 HB3 ARG A 118 19.827 -26.900 -7.860 1.00 42.15 H new ATOM 0 HG2 ARG A 118 18.842 -28.791 -7.173 1.00 11.42 H new ATOM 0 HG3 ARG A 118 17.598 -28.568 -8.386 1.00 11.42 H new ATOM 0 HD2 ARG A 118 18.349 -30.383 -9.480 1.00 3.22 H new ATOM 0 HD3 ARG A 118 19.872 -29.568 -9.773 1.00 3.22 H new ATOM 0 HE ARG A 118 19.342 -31.647 -7.787 1.00 74.40 H new ATOM 0 HH11 ARG A 118 21.401 -28.922 -8.680 1.00 72.03 H new ATOM 0 HH12 ARG A 118 22.775 -29.501 -7.732 1.00 72.03 H new ATOM 0 HH21 ARG A 118 21.112 -32.384 -6.572 1.00 75.21 H new ATOM 0 HH22 ARG A 118 22.613 -31.452 -6.545 1.00 75.21 H new ATOM 2053 N CYS A 119 17.800 -26.283 -11.747 1.00 23.11 N ATOM 2054 CA CYS A 119 17.256 -26.774 -13.008 1.00 40.21 C ATOM 2055 C CYS A 119 18.276 -26.630 -14.133 1.00 71.10 C ATOM 2056 O CYS A 119 18.420 -25.559 -14.721 1.00 4.04 O ATOM 2057 CB CYS A 119 15.976 -26.017 -13.364 1.00 51.40 C ATOM 2058 SG CYS A 119 14.477 -26.714 -12.631 1.00 65.20 S ATOM 0 H CYS A 119 18.151 -25.326 -11.783 1.00 23.11 H new ATOM 0 HA CYS A 119 17.022 -27.832 -12.887 1.00 40.21 H new ATOM 0 HB2 CYS A 119 16.078 -24.981 -13.041 1.00 51.40 H new ATOM 0 HB3 CYS A 119 15.865 -26.003 -14.448 1.00 51.40 H new ATOM 0 HG CYS A 119 13.508 -26.667 -13.497 1.00 65.20 H new ATOM 2064 N GLY A 120 18.983 -27.717 -14.427 1.00 32.43 N ATOM 2065 CA GLY A 120 19.982 -27.691 -15.479 1.00 12.20 C ATOM 2066 C GLY A 120 21.045 -26.637 -15.242 1.00 64.12 C ATOM 2067 O GLY A 120 21.376 -26.303 -14.104 1.00 63.14 O ATOM 0 H GLY A 120 18.881 -28.615 -13.955 1.00 32.43 H new ATOM 0 HA2 GLY A 120 20.455 -28.670 -15.551 1.00 12.20 H new ATOM 0 HA3 GLY A 120 19.494 -27.502 -16.435 1.00 12.20 H new ATOM 2071 N PRO A 121 21.601 -26.096 -16.336 1.00 44.33 N ATOM 2072 CA PRO A 121 22.643 -25.067 -16.268 1.00 41.41 C ATOM 2073 C PRO A 121 22.107 -23.732 -15.760 1.00 64.23 C ATOM 2074 O PRO A 121 22.470 -22.671 -16.270 1.00 62.34 O ATOM 2075 CB PRO A 121 23.110 -24.938 -17.720 1.00 51.32 C ATOM 2076 CG PRO A 121 21.944 -25.382 -18.534 1.00 31.42 C ATOM 2077 CD PRO A 121 21.255 -26.446 -17.724 1.00 64.10 C ATOM 0 HA PRO A 121 23.438 -25.337 -15.573 1.00 41.41 H new ATOM 0 HB2 PRO A 121 23.390 -23.911 -17.956 1.00 51.32 H new ATOM 0 HB3 PRO A 121 23.985 -25.559 -17.911 1.00 51.32 H new ATOM 0 HG2 PRO A 121 21.271 -24.549 -18.738 1.00 31.42 H new ATOM 0 HG3 PRO A 121 22.268 -25.774 -19.498 1.00 31.42 H new ATOM 0 HD2 PRO A 121 20.177 -26.437 -17.884 1.00 64.10 H new ATOM 0 HD3 PRO A 121 21.608 -27.443 -17.987 1.00 64.10 H new ATOM 2085 N LEU A 122 21.243 -23.792 -14.753 1.00 41.33 N ATOM 2086 CA LEU A 122 20.657 -22.587 -14.176 1.00 24.04 C ATOM 2087 C LEU A 122 20.318 -22.799 -12.704 1.00 0.54 C ATOM 2088 O LEU A 122 20.357 -23.922 -12.201 1.00 23.12 O ATOM 2089 CB LEU A 122 19.399 -22.187 -14.948 1.00 43.23 C ATOM 2090 CG LEU A 122 19.610 -21.768 -16.404 1.00 4.13 C ATOM 2091 CD1 LEU A 122 18.289 -21.771 -17.157 1.00 64.41 C ATOM 2092 CD2 LEU A 122 20.263 -20.395 -16.474 1.00 61.02 C ATOM 0 H LEU A 122 20.933 -24.661 -14.319 1.00 41.33 H new ATOM 0 HA LEU A 122 21.391 -21.784 -14.250 1.00 24.04 H new ATOM 0 HB2 LEU A 122 18.703 -23.026 -14.929 1.00 43.23 H new ATOM 0 HB3 LEU A 122 18.919 -21.363 -14.420 1.00 43.23 H new ATOM 0 HG LEU A 122 20.276 -22.490 -16.877 1.00 4.13 H new ATOM 0 HD11 LEU A 122 18.459 -21.470 -18.191 1.00 64.41 H new ATOM 0 HD12 LEU A 122 17.861 -22.773 -17.136 1.00 64.41 H new ATOM 0 HD13 LEU A 122 17.599 -21.072 -16.684 1.00 64.41 H new ATOM 0 HD21 LEU A 122 20.406 -20.113 -17.517 1.00 61.02 H new ATOM 0 HD22 LEU A 122 19.622 -19.662 -15.984 1.00 61.02 H new ATOM 0 HD23 LEU A 122 21.230 -20.426 -15.971 1.00 61.02 H new ATOM 2104 N THR A 123 19.982 -21.711 -12.017 1.00 4.14 N ATOM 2105 CA THR A 123 19.635 -21.777 -10.603 1.00 11.22 C ATOM 2106 C THR A 123 18.694 -20.642 -10.214 1.00 45.22 C ATOM 2107 O THR A 123 19.078 -19.472 -10.229 1.00 51.11 O ATOM 2108 CB THR A 123 20.890 -21.716 -9.712 1.00 43.23 C ATOM 2109 OG1 THR A 123 22.062 -21.955 -10.500 1.00 51.32 O ATOM 2110 CG2 THR A 123 20.809 -22.741 -8.591 1.00 70.14 C ATOM 0 H THR A 123 19.943 -20.774 -12.417 1.00 4.14 H new ATOM 0 HA THR A 123 19.133 -22.732 -10.446 1.00 11.22 H new ATOM 0 HB THR A 123 20.946 -20.721 -9.270 1.00 43.23 H new ATOM 0 HG1 THR A 123 22.856 -21.913 -9.927 1.00 51.32 H new ATOM 0 HG21 THR A 123 21.706 -22.679 -7.975 1.00 70.14 H new ATOM 0 HG22 THR A 123 19.932 -22.539 -7.976 1.00 70.14 H new ATOM 0 HG23 THR A 123 20.730 -23.741 -9.017 1.00 70.14 H new ATOM 2118 N PHE A 124 17.461 -20.994 -9.866 1.00 24.22 N ATOM 2119 CA PHE A 124 16.465 -20.004 -9.473 1.00 65.11 C ATOM 2120 C PHE A 124 16.412 -19.859 -7.955 1.00 75.51 C ATOM 2121 O PHE A 124 16.905 -20.716 -7.221 1.00 35.20 O ATOM 2122 CB PHE A 124 15.087 -20.396 -10.009 1.00 32.23 C ATOM 2123 CG PHE A 124 15.076 -20.685 -11.483 1.00 23.45 C ATOM 2124 CD1 PHE A 124 15.553 -21.892 -11.969 1.00 21.25 C ATOM 2125 CD2 PHE A 124 14.589 -19.751 -12.382 1.00 2.21 C ATOM 2126 CE1 PHE A 124 15.545 -22.160 -13.324 1.00 62.43 C ATOM 2127 CE2 PHE A 124 14.578 -20.014 -13.739 1.00 4.51 C ATOM 2128 CZ PHE A 124 15.056 -21.220 -14.210 1.00 62.45 C ATOM 0 H PHE A 124 17.127 -21.958 -9.848 1.00 24.22 H new ATOM 0 HA PHE A 124 16.754 -19.044 -9.901 1.00 65.11 H new ATOM 0 HB2 PHE A 124 14.734 -21.276 -9.472 1.00 32.23 H new ATOM 0 HB3 PHE A 124 14.382 -19.591 -9.800 1.00 32.23 H new ATOM 0 HD1 PHE A 124 15.935 -22.631 -11.281 1.00 21.25 H new ATOM 0 HD2 PHE A 124 14.213 -18.806 -12.019 1.00 2.21 H new ATOM 0 HE1 PHE A 124 15.921 -23.104 -13.690 1.00 62.43 H new ATOM 0 HE2 PHE A 124 14.196 -19.277 -14.430 1.00 4.51 H new ATOM 0 HZ PHE A 124 15.048 -21.428 -15.270 1.00 62.45 H new ATOM 2138 N TYR A 125 15.810 -18.770 -7.492 1.00 10.51 N ATOM 2139 CA TYR A 125 15.694 -18.510 -6.062 1.00 13.02 C ATOM 2140 C TYR A 125 14.437 -17.701 -5.755 1.00 43.44 C ATOM 2141 O TYR A 125 14.286 -16.569 -6.216 1.00 61.04 O ATOM 2142 CB TYR A 125 16.930 -17.765 -5.555 1.00 71.03 C ATOM 2143 CG TYR A 125 18.235 -18.388 -5.996 1.00 42.22 C ATOM 2144 CD1 TYR A 125 18.803 -19.436 -5.282 1.00 45.24 C ATOM 2145 CD2 TYR A 125 18.901 -17.928 -7.126 1.00 13.02 C ATOM 2146 CE1 TYR A 125 19.996 -20.008 -5.681 1.00 3.40 C ATOM 2147 CE2 TYR A 125 20.093 -18.495 -7.533 1.00 10.34 C ATOM 2148 CZ TYR A 125 20.637 -19.534 -6.807 1.00 11.11 C ATOM 2149 OH TYR A 125 21.825 -20.100 -7.208 1.00 61.21 O ATOM 0 H TYR A 125 15.394 -18.053 -8.086 1.00 10.51 H new ATOM 0 HA TYR A 125 15.621 -19.469 -5.550 1.00 13.02 H new ATOM 0 HB2 TYR A 125 16.892 -16.734 -5.907 1.00 71.03 H new ATOM 0 HB3 TYR A 125 16.903 -17.732 -4.466 1.00 71.03 H new ATOM 0 HD1 TYR A 125 18.304 -19.810 -4.400 1.00 45.24 H new ATOM 0 HD2 TYR A 125 18.479 -17.113 -7.696 1.00 13.02 H new ATOM 0 HE1 TYR A 125 20.424 -20.822 -5.114 1.00 3.40 H new ATOM 0 HE2 TYR A 125 20.596 -18.127 -8.415 1.00 10.34 H new ATOM 0 HH TYR A 125 22.071 -20.818 -6.588 1.00 61.21 H new ATOM 2159 N TYR A 126 13.539 -18.289 -4.974 1.00 11.14 N ATOM 2160 CA TYR A 126 12.294 -17.625 -4.606 1.00 0.22 C ATOM 2161 C TYR A 126 12.173 -17.495 -3.091 1.00 10.15 C ATOM 2162 O TYR A 126 12.671 -18.324 -2.329 1.00 34.23 O ATOM 2163 CB TYR A 126 11.096 -18.398 -5.160 1.00 1.11 C ATOM 2164 CG TYR A 126 11.346 -19.882 -5.301 1.00 30.44 C ATOM 2165 CD1 TYR A 126 11.937 -20.402 -6.446 1.00 1.31 C ATOM 2166 CD2 TYR A 126 10.990 -20.766 -4.289 1.00 43.10 C ATOM 2167 CE1 TYR A 126 12.167 -21.757 -6.579 1.00 72.44 C ATOM 2168 CE2 TYR A 126 11.218 -22.123 -4.413 1.00 54.22 C ATOM 2169 CZ TYR A 126 11.806 -22.614 -5.560 1.00 52.31 C ATOM 2170 OH TYR A 126 12.033 -23.965 -5.688 1.00 55.12 O ATOM 0 H TYR A 126 13.649 -19.225 -4.583 1.00 11.14 H new ATOM 0 HA TYR A 126 12.304 -16.625 -5.039 1.00 0.22 H new ATOM 0 HB2 TYR A 126 10.239 -18.243 -4.504 1.00 1.11 H new ATOM 0 HB3 TYR A 126 10.829 -17.989 -6.134 1.00 1.11 H new ATOM 0 HD1 TYR A 126 12.221 -19.735 -7.246 1.00 1.31 H new ATOM 0 HD2 TYR A 126 10.527 -20.386 -3.390 1.00 43.10 H new ATOM 0 HE1 TYR A 126 12.627 -22.144 -7.476 1.00 72.44 H new ATOM 0 HE2 TYR A 126 10.937 -22.796 -3.616 1.00 54.22 H new ATOM 0 HH TYR A 126 11.789 -24.253 -6.592 1.00 55.12 H new ATOM 2180 N PRO A 127 11.495 -16.428 -2.642 1.00 33.44 N ATOM 2181 CA PRO A 127 11.290 -16.164 -1.214 1.00 42.44 C ATOM 2182 C PRO A 127 10.337 -17.164 -0.570 1.00 33.10 C ATOM 2183 O PRO A 127 9.127 -16.944 -0.525 1.00 42.44 O ATOM 2184 CB PRO A 127 10.683 -14.759 -1.198 1.00 14.23 C ATOM 2185 CG PRO A 127 10.030 -14.612 -2.529 1.00 20.51 C ATOM 2186 CD PRO A 127 10.875 -15.399 -3.493 1.00 34.12 C ATOM 0 HA PRO A 127 12.216 -16.250 -0.646 1.00 42.44 H new ATOM 0 HB2 PRO A 127 9.961 -14.649 -0.389 1.00 14.23 H new ATOM 0 HB3 PRO A 127 11.449 -13.999 -1.047 1.00 14.23 H new ATOM 0 HG2 PRO A 127 9.008 -14.991 -2.506 1.00 20.51 H new ATOM 0 HG3 PRO A 127 9.975 -13.564 -2.823 1.00 20.51 H new ATOM 0 HD2 PRO A 127 10.273 -15.843 -4.286 1.00 34.12 H new ATOM 0 HD3 PRO A 127 11.624 -14.771 -3.975 1.00 34.12 H new ATOM 2194 N GLY A 128 10.890 -18.265 -0.071 1.00 21.32 N ATOM 2195 CA GLY A 128 10.074 -19.283 0.565 1.00 52.01 C ATOM 2196 C GLY A 128 8.868 -19.665 -0.271 1.00 24.11 C ATOM 2197 O GLY A 128 7.785 -19.107 -0.101 1.00 54.31 O ATOM 0 H GLY A 128 11.889 -18.470 -0.096 1.00 21.32 H new ATOM 0 HA2 GLY A 128 10.681 -20.170 0.747 1.00 52.01 H new ATOM 0 HA3 GLY A 128 9.739 -18.921 1.537 1.00 52.01 H new ATOM 2201 N SER A 129 9.057 -20.618 -1.178 1.00 21.54 N ATOM 2202 CA SER A 129 7.977 -21.071 -2.047 1.00 45.23 C ATOM 2203 C SER A 129 6.738 -21.429 -1.233 1.00 61.30 C ATOM 2204 O SER A 129 5.609 -21.231 -1.681 1.00 72.42 O ATOM 2205 CB SER A 129 8.429 -22.280 -2.869 1.00 52.53 C ATOM 2206 OG SER A 129 7.422 -23.277 -2.905 1.00 4.41 O ATOM 0 H SER A 129 9.948 -21.091 -1.330 1.00 21.54 H new ATOM 0 HA SER A 129 7.722 -20.255 -2.724 1.00 45.23 H new ATOM 0 HB2 SER A 129 8.669 -21.964 -3.884 1.00 52.53 H new ATOM 0 HB3 SER A 129 9.341 -22.695 -2.440 1.00 52.53 H new ATOM 0 HG SER A 129 7.734 -24.038 -3.437 1.00 4.41 H new ATOM 2212 N SER A 130 6.958 -21.958 -0.034 1.00 23.14 N ATOM 2213 CA SER A 130 5.860 -22.348 0.843 1.00 63.40 C ATOM 2214 C SER A 130 5.162 -21.120 1.419 1.00 72.34 C ATOM 2215 O SER A 130 3.935 -21.063 1.477 1.00 13.43 O ATOM 2216 CB SER A 130 6.376 -23.235 1.978 1.00 4.43 C ATOM 2217 OG SER A 130 6.737 -24.519 1.499 1.00 15.24 O ATOM 0 H SER A 130 7.887 -22.127 0.353 1.00 23.14 H new ATOM 0 HA SER A 130 5.138 -22.911 0.252 1.00 63.40 H new ATOM 0 HB2 SER A 130 7.239 -22.763 2.449 1.00 4.43 H new ATOM 0 HB3 SER A 130 5.608 -23.332 2.745 1.00 4.43 H new ATOM 0 HG SER A 130 7.065 -25.066 2.243 1.00 15.24 H new TER 2223 SER A 130