USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 691 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 TYR OH : rot -130:sc= -0.581 USER MOD Set 1.2: A 80 LYS NZ :NH3+ -128:sc= 1.26 (180deg=0.794) USER MOD Set 2.1: A 23 HIS : no HD1:sc= -2.08 K(o=-0.56,f=0.61) USER MOD Set 2.2: A 54 CYS SG : rot -20:sc= 0.287 USER MOD Set 2.3: A 55 THR OG1 : rot 82:sc= 1.23 USER MOD Set 3.1: A 37 LYS NZ :NH3+ -144:sc= 1.45 (180deg=0.787) USER MOD Set 3.2: A 71 GLN : amide:sc= -2.98! K(o=-1.5!,f=-3.9) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -179:sc= 0 (180deg=-0.00128) USER MOD Single : A 3 HIS : no HE2:sc= -0.266 K(o=-0.27,f=-1.7) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.689 X(o=-0.69,f=-0.55) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.0046) USER MOD Single : A 9 SER OG : rot 35:sc= 0.291 USER MOD Single : A 10 HIS : no HD1:sc= -0.0223 X(o=-0.022,f=-0.013) USER MOD Single : A 12 ASN : amide:sc= -0.463 K(o=-0.46,f=-4.5!) USER MOD Single : A 21 LYS NZ :NH3+ -147:sc= 1.26 (180deg=0.819) USER MOD Single : A 24 SER OG : rot -13:sc= 0.662 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -166:sc= -0.173 (180deg=-0.586) USER MOD Single : A 28 ASN : amide:sc= 0.319 X(o=0.32,f=-0.0023) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.0409 K(o=-0.041,f=-11!) USER MOD Single : A 42 MET CE :methyl -139:sc= -1.05 (180deg=-2.32!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 149:sc= -1.48 (180deg=-3.35!) USER MOD Single : A 68 HIS : no HD1:sc= -0.0301 X(o=-0.03,f=-0.0043) USER MOD Single : A 70 THR OG1 : rot -41:sc= 0.892 USER MOD Single : A 76 MET CE :methyl -162:sc= -0.179 (180deg=-0.745) USER MOD Single : A 82 MET CE :methyl -122:sc= -0.554 (180deg=-1.75!) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 139:sc= 1.25 (180deg=-0.31) USER MOD Single : A 86 SER OG : rot 35:sc= 0.572 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.670 -33.571 3.447 1.00 22.21 N ATOM 2 CA MET A 1 16.131 -33.126 4.763 1.00 45.13 C ATOM 3 C MET A 1 15.884 -31.606 4.793 1.00 23.10 C ATOM 4 O MET A 1 14.851 -31.146 5.283 1.00 52.13 O ATOM 5 CB MET A 1 17.093 -33.521 5.894 1.00 70.32 C ATOM 6 CG MET A 1 16.553 -33.234 7.292 1.00 21.22 C ATOM 7 SD MET A 1 17.698 -33.725 8.596 1.00 23.03 S ATOM 8 CE MET A 1 16.734 -33.353 10.061 1.00 24.44 C ATOM 0 H1 MET A 1 16.808 -34.602 3.459 1.00 22.21 H new ATOM 0 H2 MET A 1 15.998 -33.320 2.694 1.00 22.21 H new ATOM 0 H3 MET A 1 17.581 -33.102 3.269 1.00 22.21 H new ATOM 0 HA MET A 1 15.173 -33.625 4.911 1.00 45.13 H new ATOM 0 HB2 MET A 1 17.317 -34.585 5.813 1.00 70.32 H new ATOM 0 HB3 MET A 1 18.034 -32.986 5.761 1.00 70.32 H new ATOM 0 HG2 MET A 1 16.340 -32.169 7.383 1.00 21.22 H new ATOM 0 HG3 MET A 1 15.608 -33.760 7.427 1.00 21.22 H new ATOM 0 HE1 MET A 1 17.312 -33.605 10.950 1.00 24.44 H new ATOM 0 HE2 MET A 1 16.489 -32.291 10.076 1.00 24.44 H new ATOM 0 HE3 MET A 1 15.814 -33.937 10.049 1.00 24.44 H new ATOM 20 N GLY A 2 16.838 -30.833 4.273 1.00 32.00 N ATOM 21 CA GLY A 2 16.721 -29.375 4.285 1.00 45.23 C ATOM 22 C GLY A 2 15.554 -28.848 3.447 1.00 51.45 C ATOM 23 O GLY A 2 15.443 -29.153 2.258 1.00 50.02 O ATOM 0 H GLY A 2 17.692 -31.188 3.842 1.00 32.00 H new ATOM 0 HA2 GLY A 2 16.600 -29.037 5.314 1.00 45.23 H new ATOM 0 HA3 GLY A 2 17.649 -28.941 3.914 1.00 45.23 H new ATOM 27 N HIS A 3 14.685 -28.052 4.067 1.00 74.24 N ATOM 28 CA HIS A 3 13.523 -27.482 3.377 1.00 13.20 C ATOM 29 C HIS A 3 13.723 -25.994 3.053 1.00 51.13 C ATOM 30 O HIS A 3 14.270 -25.235 3.854 1.00 61.35 O ATOM 31 CB HIS A 3 12.256 -27.668 4.222 1.00 55.14 C ATOM 32 CG HIS A 3 11.789 -29.091 4.292 1.00 21.00 C ATOM 33 ND1 HIS A 3 12.372 -30.040 5.102 1.00 23.32 N ATOM 34 CD2 HIS A 3 10.790 -29.730 3.635 1.00 50.41 C ATOM 35 CE1 HIS A 3 11.759 -31.193 4.941 1.00 34.23 C ATOM 36 NE2 HIS A 3 10.796 -31.036 4.058 1.00 64.52 N ATOM 0 H HIS A 3 14.762 -27.785 5.048 1.00 74.24 H new ATOM 0 HA HIS A 3 13.410 -28.016 2.434 1.00 13.20 H new ATOM 0 HB2 HIS A 3 12.446 -27.306 5.232 1.00 55.14 H new ATOM 0 HB3 HIS A 3 11.458 -27.052 3.807 1.00 55.14 H new ATOM 0 HD1 HIS A 3 13.158 -29.874 5.730 1.00 23.32 H new ATOM 0 HD2 HIS A 3 10.115 -29.293 2.914 1.00 50.41 H new ATOM 0 HE1 HIS A 3 12.005 -32.114 5.449 1.00 34.23 H new ATOM 45 N HIS A 4 13.261 -25.588 1.872 1.00 41.51 N ATOM 46 CA HIS A 4 13.367 -24.198 1.421 1.00 3.52 C ATOM 47 C HIS A 4 12.016 -23.482 1.572 1.00 40.21 C ATOM 48 O HIS A 4 11.178 -23.502 0.666 1.00 45.42 O ATOM 49 CB HIS A 4 13.841 -24.155 -0.036 1.00 50.43 C ATOM 50 CG HIS A 4 15.098 -24.939 -0.273 1.00 32.54 C ATOM 51 ND1 HIS A 4 16.345 -24.508 0.125 1.00 64.01 N ATOM 52 CD2 HIS A 4 15.293 -26.150 -0.850 1.00 55.43 C ATOM 53 CE1 HIS A 4 17.247 -25.413 -0.195 1.00 14.03 C ATOM 54 NE2 HIS A 4 16.638 -26.419 -0.787 1.00 5.52 N ATOM 0 H HIS A 4 12.805 -26.208 1.203 1.00 41.51 H new ATOM 0 HA HIS A 4 14.099 -23.680 2.041 1.00 3.52 H new ATOM 0 HB2 HIS A 4 13.052 -24.543 -0.679 1.00 50.43 H new ATOM 0 HB3 HIS A 4 14.007 -23.118 -0.326 1.00 50.43 H new ATOM 0 HD2 HIS A 4 14.532 -26.785 -1.279 1.00 55.43 H new ATOM 0 HE1 HIS A 4 18.308 -25.342 -0.004 1.00 14.03 H new ATOM 0 HE2 HIS A 4 17.092 -27.261 -1.141 1.00 5.52 H new ATOM 63 N HIS A 5 11.805 -22.854 2.727 1.00 1.12 N ATOM 64 CA HIS A 5 10.501 -22.265 3.061 1.00 3.11 C ATOM 65 C HIS A 5 10.233 -20.950 2.301 1.00 75.21 C ATOM 66 O HIS A 5 10.341 -19.855 2.853 1.00 41.10 O ATOM 67 CB HIS A 5 10.361 -22.071 4.585 1.00 23.34 C ATOM 68 CG HIS A 5 11.510 -21.353 5.232 1.00 14.14 C ATOM 69 ND1 HIS A 5 11.499 -20.004 5.499 1.00 61.43 N ATOM 70 CD2 HIS A 5 12.706 -21.809 5.677 1.00 30.12 C ATOM 71 CE1 HIS A 5 12.633 -19.659 6.074 1.00 43.35 C ATOM 72 NE2 HIS A 5 13.384 -20.734 6.195 1.00 22.22 N ATOM 0 H HIS A 5 12.516 -22.738 3.449 1.00 1.12 H new ATOM 0 HA HIS A 5 9.739 -22.972 2.733 1.00 3.11 H new ATOM 0 HB2 HIS A 5 9.444 -21.516 4.785 1.00 23.34 H new ATOM 0 HB3 HIS A 5 10.250 -23.049 5.054 1.00 23.34 H new ATOM 0 HD2 HIS A 5 13.060 -22.828 5.632 1.00 30.12 H new ATOM 0 HE1 HIS A 5 12.901 -18.663 6.392 1.00 43.35 H new ATOM 0 HE2 HIS A 5 14.317 -20.763 6.606 1.00 22.22 H new ATOM 81 N HIS A 6 9.893 -21.082 1.017 1.00 34.42 N ATOM 82 CA HIS A 6 9.474 -19.950 0.179 1.00 21.33 C ATOM 83 C HIS A 6 8.190 -20.303 -0.591 1.00 75.51 C ATOM 84 O HIS A 6 7.935 -21.470 -0.890 1.00 20.52 O ATOM 85 CB HIS A 6 10.586 -19.554 -0.809 1.00 3.20 C ATOM 86 CG HIS A 6 11.772 -18.889 -0.170 1.00 54.44 C ATOM 87 ND1 HIS A 6 13.060 -19.374 -0.265 1.00 53.31 N ATOM 88 CD2 HIS A 6 11.862 -17.743 0.550 1.00 54.45 C ATOM 89 CE1 HIS A 6 13.884 -18.562 0.365 1.00 4.41 C ATOM 90 NE2 HIS A 6 13.186 -17.566 0.869 1.00 0.51 N ATOM 0 H HIS A 6 9.900 -21.976 0.526 1.00 34.42 H new ATOM 0 HA HIS A 6 9.276 -19.101 0.833 1.00 21.33 H new ATOM 0 HB2 HIS A 6 10.924 -20.447 -1.334 1.00 3.20 H new ATOM 0 HB3 HIS A 6 10.168 -18.882 -1.559 1.00 3.20 H new ATOM 0 HD2 HIS A 6 11.045 -17.091 0.822 1.00 54.45 H new ATOM 0 HE1 HIS A 6 14.953 -18.692 0.453 1.00 4.41 H new ATOM 0 HE2 HIS A 6 13.567 -16.789 1.409 1.00 0.51 H new ATOM 99 N HIS A 7 7.378 -19.295 -0.899 1.00 52.31 N ATOM 100 CA HIS A 7 6.107 -19.505 -1.610 1.00 1.32 C ATOM 101 C HIS A 7 5.772 -18.341 -2.552 1.00 1.23 C ATOM 102 O HIS A 7 5.548 -17.213 -2.110 1.00 30.05 O ATOM 103 CB HIS A 7 4.954 -19.701 -0.610 1.00 0.33 C ATOM 104 CG HIS A 7 4.864 -21.089 -0.051 1.00 30.20 C ATOM 105 ND1 HIS A 7 5.575 -21.512 1.050 1.00 64.11 N ATOM 106 CD2 HIS A 7 4.136 -22.158 -0.455 1.00 14.04 C ATOM 107 CE1 HIS A 7 5.295 -22.776 1.297 1.00 1.11 C ATOM 108 NE2 HIS A 7 4.424 -23.190 0.402 1.00 2.10 N ATOM 0 H HIS A 7 7.573 -18.320 -0.669 1.00 52.31 H new ATOM 0 HA HIS A 7 6.228 -20.405 -2.213 1.00 1.32 H new ATOM 0 HB2 HIS A 7 5.076 -18.996 0.212 1.00 0.33 H new ATOM 0 HB3 HIS A 7 4.013 -19.457 -1.103 1.00 0.33 H new ATOM 0 HD2 HIS A 7 3.457 -22.191 -1.294 1.00 14.04 H new ATOM 0 HE1 HIS A 7 5.710 -23.371 2.098 1.00 1.11 H new ATOM 0 HE2 HIS A 7 4.026 -24.128 0.353 1.00 2.10 H new ATOM 117 N HIS A 8 5.740 -18.628 -3.850 1.00 21.02 N ATOM 118 CA HIS A 8 5.274 -17.659 -4.843 1.00 14.11 C ATOM 119 C HIS A 8 3.737 -17.621 -4.840 1.00 53.51 C ATOM 120 O HIS A 8 3.121 -16.599 -5.137 1.00 41.01 O ATOM 121 CB HIS A 8 5.808 -18.031 -6.235 1.00 22.33 C ATOM 122 CG HIS A 8 5.522 -17.013 -7.299 1.00 4.43 C ATOM 123 ND1 HIS A 8 4.645 -17.233 -8.341 1.00 72.43 N ATOM 124 CD2 HIS A 8 6.017 -15.765 -7.489 1.00 23.44 C ATOM 125 CE1 HIS A 8 4.614 -16.170 -9.120 1.00 73.51 C ATOM 126 NE2 HIS A 8 5.435 -15.267 -8.628 1.00 15.43 N ATOM 0 H HIS A 8 6.031 -19.524 -4.241 1.00 21.02 H new ATOM 0 HA HIS A 8 5.650 -16.668 -4.589 1.00 14.11 H new ATOM 0 HB2 HIS A 8 6.886 -18.178 -6.170 1.00 22.33 H new ATOM 0 HB3 HIS A 8 5.373 -18.985 -6.535 1.00 22.33 H new ATOM 0 HD2 HIS A 8 6.735 -15.258 -6.862 1.00 23.44 H new ATOM 0 HE1 HIS A 8 4.015 -16.059 -10.012 1.00 73.51 H new ATOM 0 HE2 HIS A 8 5.611 -14.345 -9.028 1.00 15.43 H new ATOM 135 N SER A 9 3.132 -18.757 -4.498 1.00 72.22 N ATOM 136 CA SER A 9 1.678 -18.865 -4.316 1.00 65.00 C ATOM 137 C SER A 9 1.325 -18.836 -2.824 1.00 55.52 C ATOM 138 O SER A 9 1.850 -19.634 -2.046 1.00 14.12 O ATOM 139 CB SER A 9 1.160 -20.170 -4.940 1.00 25.33 C ATOM 140 OG SER A 9 1.768 -21.309 -4.339 1.00 61.44 O ATOM 0 H SER A 9 3.633 -19.631 -4.338 1.00 72.22 H new ATOM 0 HA SER A 9 1.205 -18.017 -4.812 1.00 65.00 H new ATOM 0 HB2 SER A 9 0.078 -20.228 -4.821 1.00 25.33 H new ATOM 0 HB3 SER A 9 1.364 -20.169 -6.011 1.00 25.33 H new ATOM 0 HG SER A 9 1.925 -21.132 -3.388 1.00 61.44 H new ATOM 146 N HIS A 10 0.422 -17.933 -2.434 1.00 1.34 N ATOM 147 CA HIS A 10 0.076 -17.724 -1.017 1.00 53.44 C ATOM 148 C HIS A 10 1.314 -17.319 -0.185 1.00 4.14 C ATOM 149 O HIS A 10 1.841 -18.114 0.599 1.00 43.34 O ATOM 150 CB HIS A 10 -0.584 -18.980 -0.417 1.00 63.31 C ATOM 151 CG HIS A 10 -1.925 -19.304 -1.008 1.00 32.13 C ATOM 152 ND1 HIS A 10 -3.090 -19.311 -0.272 1.00 31.54 N ATOM 153 CD2 HIS A 10 -2.285 -19.637 -2.272 1.00 63.32 C ATOM 154 CE1 HIS A 10 -4.102 -19.631 -1.050 1.00 15.33 C ATOM 155 NE2 HIS A 10 -3.644 -19.836 -2.267 1.00 22.33 N ATOM 0 H HIS A 10 -0.088 -17.330 -3.080 1.00 1.34 H new ATOM 0 HA HIS A 10 -0.641 -16.904 -0.977 1.00 53.44 H new ATOM 0 HB2 HIS A 10 0.081 -19.832 -0.561 1.00 63.31 H new ATOM 0 HB3 HIS A 10 -0.696 -18.841 0.658 1.00 63.31 H new ATOM 0 HD2 HIS A 10 -1.627 -19.729 -3.123 1.00 63.32 H new ATOM 0 HE1 HIS A 10 -5.134 -19.712 -0.742 1.00 15.33 H new ATOM 0 HE2 HIS A 10 -4.207 -20.100 -3.075 1.00 22.33 H new ATOM 164 N PRO A 11 1.802 -16.073 -0.359 1.00 43.43 N ATOM 165 CA PRO A 11 2.993 -15.580 0.348 1.00 13.15 C ATOM 166 C PRO A 11 2.693 -15.099 1.783 1.00 74.12 C ATOM 167 O PRO A 11 1.672 -14.459 2.037 1.00 71.44 O ATOM 168 CB PRO A 11 3.448 -14.416 -0.536 1.00 34.44 C ATOM 169 CG PRO A 11 2.185 -13.873 -1.120 1.00 72.54 C ATOM 170 CD PRO A 11 1.242 -15.049 -1.268 1.00 13.42 C ATOM 0 HA PRO A 11 3.742 -16.360 0.484 1.00 13.15 H new ATOM 0 HB2 PRO A 11 3.974 -13.659 0.045 1.00 34.44 H new ATOM 0 HB3 PRO A 11 4.132 -14.753 -1.315 1.00 34.44 H new ATOM 0 HG2 PRO A 11 1.755 -13.109 -0.472 1.00 72.54 H new ATOM 0 HG3 PRO A 11 2.374 -13.403 -2.085 1.00 72.54 H new ATOM 0 HD2 PRO A 11 0.223 -14.781 -0.988 1.00 13.42 H new ATOM 0 HD3 PRO A 11 1.207 -15.405 -2.297 1.00 13.42 H new ATOM 178 N ASN A 12 3.601 -15.407 2.710 1.00 4.11 N ATOM 179 CA ASN A 12 3.453 -15.028 4.127 1.00 5.54 C ATOM 180 C ASN A 12 3.407 -13.497 4.329 1.00 23.11 C ATOM 181 O ASN A 12 3.809 -12.725 3.452 1.00 75.12 O ATOM 182 CB ASN A 12 4.607 -15.648 4.941 1.00 44.23 C ATOM 183 CG ASN A 12 4.723 -15.085 6.349 1.00 2.35 C ATOM 184 OD1 ASN A 12 5.496 -14.168 6.602 1.00 42.33 O ATOM 185 ND2 ASN A 12 3.932 -15.602 7.264 1.00 13.52 N ATOM 0 H ASN A 12 4.457 -15.923 2.508 1.00 4.11 H new ATOM 0 HA ASN A 12 2.497 -15.415 4.480 1.00 5.54 H new ATOM 0 HB2 ASN A 12 4.462 -16.727 5.000 1.00 44.23 H new ATOM 0 HB3 ASN A 12 5.545 -15.481 4.412 1.00 44.23 H new ATOM 0 HD21 ASN A 12 3.950 -15.240 8.217 1.00 13.52 H new ATOM 0 HD22 ASN A 12 3.300 -16.365 7.020 1.00 13.52 H new ATOM 192 N GLU A 13 2.923 -13.079 5.505 1.00 41.13 N ATOM 193 CA GLU A 13 2.857 -11.659 5.889 1.00 64.34 C ATOM 194 C GLU A 13 4.188 -10.932 5.629 1.00 42.51 C ATOM 195 O GLU A 13 4.234 -9.948 4.894 1.00 24.34 O ATOM 196 CB GLU A 13 2.513 -11.552 7.380 1.00 1.52 C ATOM 197 CG GLU A 13 2.478 -10.122 7.910 1.00 50.43 C ATOM 198 CD GLU A 13 2.514 -10.066 9.427 1.00 43.22 C ATOM 199 OE1 GLU A 13 1.441 -10.141 10.061 1.00 4.23 O ATOM 200 OE2 GLU A 13 3.621 -9.955 9.997 1.00 23.44 O ATOM 0 H GLU A 13 2.565 -13.714 6.219 1.00 41.13 H new ATOM 0 HA GLU A 13 2.087 -11.185 5.280 1.00 64.34 H new ATOM 0 HB2 GLU A 13 1.542 -12.016 7.552 1.00 1.52 H new ATOM 0 HB3 GLU A 13 3.244 -12.122 7.952 1.00 1.52 H new ATOM 0 HG2 GLU A 13 3.326 -9.568 7.508 1.00 50.43 H new ATOM 0 HG3 GLU A 13 1.575 -9.627 7.552 1.00 50.43 H new ATOM 207 N GLU A 14 5.264 -11.431 6.234 1.00 72.44 N ATOM 208 CA GLU A 14 6.604 -10.847 6.081 1.00 63.54 C ATOM 209 C GLU A 14 7.017 -10.750 4.601 1.00 75.23 C ATOM 210 O GLU A 14 7.631 -9.766 4.175 1.00 32.35 O ATOM 211 CB GLU A 14 7.623 -11.697 6.856 1.00 61.55 C ATOM 212 CG GLU A 14 9.060 -11.196 6.765 1.00 0.05 C ATOM 213 CD GLU A 14 10.039 -12.110 7.482 1.00 44.04 C ATOM 214 OE1 GLU A 14 10.279 -11.907 8.693 1.00 72.12 O ATOM 215 OE2 GLU A 14 10.567 -13.042 6.839 1.00 24.43 O ATOM 0 H GLU A 14 5.237 -12.249 6.843 1.00 72.44 H new ATOM 0 HA GLU A 14 6.582 -9.834 6.484 1.00 63.54 H new ATOM 0 HB2 GLU A 14 7.328 -11.729 7.905 1.00 61.55 H new ATOM 0 HB3 GLU A 14 7.583 -12.720 6.482 1.00 61.55 H new ATOM 0 HG2 GLU A 14 9.347 -11.112 5.717 1.00 0.05 H new ATOM 0 HG3 GLU A 14 9.121 -10.196 7.193 1.00 0.05 H new ATOM 222 N ALA A 15 6.658 -11.771 3.821 1.00 15.14 N ATOM 223 CA ALA A 15 7.002 -11.827 2.394 1.00 40.42 C ATOM 224 C ALA A 15 6.276 -10.735 1.589 1.00 14.22 C ATOM 225 O ALA A 15 6.894 -10.008 0.808 1.00 50.10 O ATOM 226 CB ALA A 15 6.678 -13.208 1.829 1.00 22.43 C ATOM 0 H ALA A 15 6.126 -12.576 4.153 1.00 15.14 H new ATOM 0 HA ALA A 15 8.073 -11.644 2.303 1.00 40.42 H new ATOM 0 HB1 ALA A 15 6.937 -13.238 0.771 1.00 22.43 H new ATOM 0 HB2 ALA A 15 7.252 -13.964 2.365 1.00 22.43 H new ATOM 0 HB3 ALA A 15 5.613 -13.409 1.948 1.00 22.43 H new ATOM 232 N ARG A 16 4.961 -10.623 1.782 1.00 13.41 N ATOM 233 CA ARG A 16 4.164 -9.600 1.089 1.00 72.20 C ATOM 234 C ARG A 16 4.478 -8.195 1.635 1.00 2.14 C ATOM 235 O ARG A 16 4.429 -7.204 0.904 1.00 13.13 O ATOM 236 CB ARG A 16 2.665 -9.904 1.217 1.00 52.42 C ATOM 237 CG ARG A 16 2.142 -9.851 2.648 1.00 1.54 C ATOM 238 CD ARG A 16 0.674 -10.247 2.737 1.00 14.01 C ATOM 239 NE ARG A 16 0.458 -11.661 2.435 1.00 64.41 N ATOM 240 CZ ARG A 16 -0.624 -12.318 2.758 1.00 2.32 C ATOM 241 NH1 ARG A 16 -1.581 -11.735 3.402 1.00 75.41 N ATOM 242 NH2 ARG A 16 -0.735 -13.568 2.451 1.00 2.03 N ATOM 0 H ARG A 16 4.424 -11.223 2.408 1.00 13.41 H new ATOM 0 HA ARG A 16 4.432 -9.622 0.033 1.00 72.20 H new ATOM 0 HB2 ARG A 16 2.107 -9.191 0.610 1.00 52.42 H new ATOM 0 HB3 ARG A 16 2.469 -10.894 0.806 1.00 52.42 H new ATOM 0 HG2 ARG A 16 2.735 -10.517 3.275 1.00 1.54 H new ATOM 0 HG3 ARG A 16 2.270 -8.843 3.043 1.00 1.54 H new ATOM 0 HD2 ARG A 16 0.303 -10.032 3.739 1.00 14.01 H new ATOM 0 HD3 ARG A 16 0.094 -9.638 2.044 1.00 14.01 H new ATOM 0 HE ARG A 16 1.196 -12.165 1.943 1.00 64.41 H new ATOM 0 HH11 ARG A 16 -1.496 -10.753 3.663 1.00 75.41 H new ATOM 0 HH12 ARG A 16 -2.422 -12.257 3.649 1.00 75.41 H new ATOM 0 HH21 ARG A 16 0.022 -14.041 1.957 1.00 2.03 H new ATOM 0 HH22 ARG A 16 -1.579 -14.082 2.703 1.00 2.03 H new ATOM 256 N LEU A 17 4.790 -8.126 2.930 1.00 54.22 N ATOM 257 CA LEU A 17 5.219 -6.880 3.575 1.00 63.53 C ATOM 258 C LEU A 17 6.432 -6.280 2.857 1.00 24.30 C ATOM 259 O LEU A 17 6.491 -5.073 2.619 1.00 23.41 O ATOM 260 CB LEU A 17 5.563 -7.146 5.051 1.00 74.14 C ATOM 261 CG LEU A 17 6.267 -5.997 5.800 1.00 71.42 C ATOM 262 CD1 LEU A 17 5.380 -4.757 5.881 1.00 45.43 C ATOM 263 CD2 LEU A 17 6.699 -6.450 7.194 1.00 73.20 C ATOM 0 H LEU A 17 4.753 -8.927 3.560 1.00 54.22 H new ATOM 0 HA LEU A 17 4.399 -6.165 3.517 1.00 63.53 H new ATOM 0 HB2 LEU A 17 4.641 -7.387 5.580 1.00 74.14 H new ATOM 0 HB3 LEU A 17 6.200 -8.029 5.101 1.00 74.14 H new ATOM 0 HG LEU A 17 7.158 -5.726 5.234 1.00 71.42 H new ATOM 0 HD11 LEU A 17 5.907 -3.967 6.415 1.00 45.43 H new ATOM 0 HD12 LEU A 17 5.139 -4.416 4.874 1.00 45.43 H new ATOM 0 HD13 LEU A 17 4.460 -5.002 6.411 1.00 45.43 H new ATOM 0 HD21 LEU A 17 7.194 -5.626 7.707 1.00 73.20 H new ATOM 0 HD22 LEU A 17 5.823 -6.759 7.764 1.00 73.20 H new ATOM 0 HD23 LEU A 17 7.389 -7.289 7.106 1.00 73.20 H new ATOM 275 N ASP A 18 7.393 -7.133 2.508 1.00 71.21 N ATOM 276 CA ASP A 18 8.603 -6.691 1.817 1.00 4.43 C ATOM 277 C ASP A 18 8.260 -5.992 0.492 1.00 12.43 C ATOM 278 O ASP A 18 8.868 -4.987 0.132 1.00 55.04 O ATOM 279 CB ASP A 18 9.534 -7.881 1.573 1.00 22.55 C ATOM 280 CG ASP A 18 10.942 -7.440 1.218 1.00 72.33 C ATOM 281 OD1 ASP A 18 11.591 -6.788 2.066 1.00 43.23 O ATOM 282 OD2 ASP A 18 11.413 -7.755 0.106 1.00 50.11 O ATOM 0 H ASP A 18 7.357 -8.136 2.693 1.00 71.21 H new ATOM 0 HA ASP A 18 9.115 -5.968 2.452 1.00 4.43 H new ATOM 0 HB2 ASP A 18 9.564 -8.506 2.465 1.00 22.55 H new ATOM 0 HB3 ASP A 18 9.133 -8.495 0.767 1.00 22.55 H new ATOM 287 N ILE A 19 7.263 -6.521 -0.213 1.00 41.13 N ATOM 288 CA ILE A 19 6.787 -5.923 -1.465 1.00 24.32 C ATOM 289 C ILE A 19 6.263 -4.495 -1.224 1.00 70.51 C ATOM 290 O ILE A 19 6.618 -3.550 -1.940 1.00 71.20 O ATOM 291 CB ILE A 19 5.660 -6.781 -2.092 1.00 71.34 C ATOM 292 CG1 ILE A 19 6.082 -8.258 -2.157 1.00 35.11 C ATOM 293 CG2 ILE A 19 5.302 -6.264 -3.485 1.00 1.11 C ATOM 294 CD1 ILE A 19 4.966 -9.191 -2.580 1.00 62.41 C ATOM 0 H ILE A 19 6.764 -7.368 0.061 1.00 41.13 H new ATOM 0 HA ILE A 19 7.632 -5.884 -2.153 1.00 24.32 H new ATOM 0 HB ILE A 19 4.776 -6.702 -1.460 1.00 71.34 H new ATOM 0 HG12 ILE A 19 6.913 -8.359 -2.855 1.00 35.11 H new ATOM 0 HG13 ILE A 19 6.449 -8.565 -1.178 1.00 35.11 H new ATOM 0 HG21 ILE A 19 4.509 -6.880 -3.909 1.00 1.11 H new ATOM 0 HG22 ILE A 19 4.961 -5.231 -3.413 1.00 1.11 H new ATOM 0 HG23 ILE A 19 6.181 -6.312 -4.128 1.00 1.11 H new ATOM 0 HD11 ILE A 19 5.337 -10.215 -2.603 1.00 62.41 H new ATOM 0 HD12 ILE A 19 4.143 -9.120 -1.869 1.00 62.41 H new ATOM 0 HD13 ILE A 19 4.614 -8.910 -3.572 1.00 62.41 H new ATOM 306 N LEU A 20 5.418 -4.349 -0.205 1.00 20.00 N ATOM 307 CA LEU A 20 4.899 -3.039 0.208 1.00 52.42 C ATOM 308 C LEU A 20 6.047 -2.080 0.569 1.00 41.33 C ATOM 309 O LEU A 20 6.027 -0.899 0.206 1.00 75.04 O ATOM 310 CB LEU A 20 3.952 -3.212 1.406 1.00 64.01 C ATOM 311 CG LEU A 20 2.633 -3.940 1.091 1.00 53.54 C ATOM 312 CD1 LEU A 20 1.959 -4.432 2.369 1.00 31.23 C ATOM 313 CD2 LEU A 20 1.691 -3.027 0.304 1.00 44.32 C ATOM 0 H LEU A 20 5.073 -5.128 0.357 1.00 20.00 H new ATOM 0 HA LEU A 20 4.349 -2.605 -0.627 1.00 52.42 H new ATOM 0 HB2 LEU A 20 4.476 -3.762 2.188 1.00 64.01 H new ATOM 0 HB3 LEU A 20 3.719 -2.227 1.811 1.00 64.01 H new ATOM 0 HG LEU A 20 2.866 -4.810 0.477 1.00 53.54 H new ATOM 0 HD11 LEU A 20 1.030 -4.942 2.117 1.00 31.23 H new ATOM 0 HD12 LEU A 20 2.623 -5.123 2.888 1.00 31.23 H new ATOM 0 HD13 LEU A 20 1.742 -3.582 3.016 1.00 31.23 H new ATOM 0 HD21 LEU A 20 0.764 -3.558 0.090 1.00 44.32 H new ATOM 0 HD22 LEU A 20 1.471 -2.136 0.893 1.00 44.32 H new ATOM 0 HD23 LEU A 20 2.166 -2.735 -0.633 1.00 44.32 H new ATOM 325 N LYS A 21 7.043 -2.600 1.281 1.00 13.44 N ATOM 326 CA LYS A 21 8.249 -1.837 1.618 1.00 3.11 C ATOM 327 C LYS A 21 8.970 -1.343 0.348 1.00 52.30 C ATOM 328 O LYS A 21 9.233 -0.153 0.199 1.00 14.53 O ATOM 329 CB LYS A 21 9.193 -2.711 2.463 1.00 53.42 C ATOM 330 CG LYS A 21 8.647 -3.053 3.853 1.00 13.40 C ATOM 331 CD LYS A 21 9.219 -4.369 4.387 1.00 72.01 C ATOM 332 CE LYS A 21 10.740 -4.366 4.465 1.00 12.15 C ATOM 333 NZ LYS A 21 11.291 -5.743 4.623 1.00 31.14 N ATOM 0 H LYS A 21 7.041 -3.555 1.640 1.00 13.44 H new ATOM 0 HA LYS A 21 7.954 -0.960 2.194 1.00 3.11 H new ATOM 0 HB2 LYS A 21 9.393 -3.637 1.924 1.00 53.42 H new ATOM 0 HB3 LYS A 21 10.146 -2.195 2.575 1.00 53.42 H new ATOM 0 HG2 LYS A 21 8.887 -2.246 4.545 1.00 13.40 H new ATOM 0 HG3 LYS A 21 7.560 -3.122 3.809 1.00 13.40 H new ATOM 0 HD2 LYS A 21 8.810 -4.561 5.379 1.00 72.01 H new ATOM 0 HD3 LYS A 21 8.895 -5.188 3.744 1.00 72.01 H new ATOM 0 HE2 LYS A 21 11.149 -3.913 3.562 1.00 12.15 H new ATOM 0 HE3 LYS A 21 11.059 -3.749 5.305 1.00 12.15 H new ATOM 0 HZ1 LYS A 21 12.155 -5.707 5.201 1.00 31.14 H new ATOM 0 HZ2 LYS A 21 10.586 -6.347 5.091 1.00 31.14 H new ATOM 0 HZ3 LYS A 21 11.517 -6.136 3.687 1.00 31.14 H new ATOM 347 N ILE A 22 9.256 -2.264 -0.569 1.00 20.32 N ATOM 348 CA ILE A 22 9.972 -1.947 -1.814 1.00 15.43 C ATOM 349 C ILE A 22 9.277 -0.839 -2.631 1.00 4.05 C ATOM 350 O ILE A 22 9.925 0.101 -3.098 1.00 55.23 O ATOM 351 CB ILE A 22 10.128 -3.216 -2.694 1.00 22.14 C ATOM 352 CG1 ILE A 22 11.000 -4.261 -1.977 1.00 72.45 C ATOM 353 CG2 ILE A 22 10.714 -2.870 -4.064 1.00 45.34 C ATOM 354 CD1 ILE A 22 11.113 -5.575 -2.721 1.00 0.12 C ATOM 0 H ILE A 22 9.002 -3.248 -0.476 1.00 20.32 H new ATOM 0 HA ILE A 22 10.955 -1.578 -1.520 1.00 15.43 H new ATOM 0 HB ILE A 22 9.137 -3.641 -2.854 1.00 22.14 H new ATOM 0 HG12 ILE A 22 11.999 -3.849 -1.831 1.00 72.45 H new ATOM 0 HG13 ILE A 22 10.585 -4.449 -0.987 1.00 72.45 H new ATOM 0 HG21 ILE A 22 10.812 -3.779 -4.658 1.00 45.34 H new ATOM 0 HG22 ILE A 22 10.053 -2.171 -4.576 1.00 45.34 H new ATOM 0 HG23 ILE A 22 11.695 -2.414 -3.935 1.00 45.34 H new ATOM 0 HD11 ILE A 22 11.743 -6.261 -2.154 1.00 0.12 H new ATOM 0 HD12 ILE A 22 10.121 -6.010 -2.844 1.00 0.12 H new ATOM 0 HD13 ILE A 22 11.557 -5.401 -3.701 1.00 0.12 H new ATOM 366 N HIS A 23 7.961 -0.947 -2.802 1.00 73.35 N ATOM 367 CA HIS A 23 7.207 0.044 -3.586 1.00 13.14 C ATOM 368 C HIS A 23 7.121 1.405 -2.870 1.00 53.13 C ATOM 369 O HIS A 23 7.249 2.459 -3.499 1.00 63.22 O ATOM 370 CB HIS A 23 5.793 -0.468 -3.891 1.00 34.34 C ATOM 371 CG HIS A 23 5.747 -1.611 -4.866 1.00 72.51 C ATOM 372 ND1 HIS A 23 5.844 -1.441 -6.230 1.00 51.31 N ATOM 373 CD2 HIS A 23 5.588 -2.944 -4.674 1.00 12.44 C ATOM 374 CE1 HIS A 23 5.747 -2.608 -6.830 1.00 61.13 C ATOM 375 NE2 HIS A 23 5.592 -3.536 -5.911 1.00 12.52 N ATOM 0 H HIS A 23 7.394 -1.701 -2.415 1.00 73.35 H new ATOM 0 HA HIS A 23 7.750 0.188 -4.520 1.00 13.14 H new ATOM 0 HB2 HIS A 23 5.324 -0.782 -2.959 1.00 34.34 H new ATOM 0 HB3 HIS A 23 5.198 0.356 -4.286 1.00 34.34 H new ATOM 0 HD2 HIS A 23 5.479 -3.446 -3.724 1.00 12.44 H new ATOM 0 HE1 HIS A 23 5.788 -2.775 -7.896 1.00 61.13 H new ATOM 0 HE2 HIS A 23 5.491 -4.535 -6.090 1.00 12.52 H new ATOM 384 N SER A 24 6.920 1.379 -1.554 1.00 30.40 N ATOM 385 CA SER A 24 6.715 2.612 -0.773 1.00 23.05 C ATOM 386 C SER A 24 7.979 3.486 -0.717 1.00 0.15 C ATOM 387 O SER A 24 7.889 4.707 -0.588 1.00 24.44 O ATOM 388 CB SER A 24 6.253 2.273 0.650 1.00 54.34 C ATOM 389 OG SER A 24 7.209 1.473 1.327 1.00 23.32 O ATOM 0 H SER A 24 6.894 0.523 -1.001 1.00 30.40 H new ATOM 0 HA SER A 24 5.941 3.186 -1.282 1.00 23.05 H new ATOM 0 HB2 SER A 24 6.085 3.194 1.209 1.00 54.34 H new ATOM 0 HB3 SER A 24 5.299 1.747 0.609 1.00 54.34 H new ATOM 0 HG SER A 24 7.868 1.136 0.684 1.00 23.32 H new ATOM 395 N ARG A 25 9.154 2.862 -0.832 1.00 52.23 N ATOM 396 CA ARG A 25 10.440 3.587 -0.778 1.00 15.34 C ATOM 397 C ARG A 25 10.554 4.680 -1.856 1.00 4.40 C ATOM 398 O ARG A 25 11.341 5.617 -1.719 1.00 65.34 O ATOM 399 CB ARG A 25 11.608 2.602 -0.929 1.00 33.23 C ATOM 400 CG ARG A 25 11.703 1.582 0.198 1.00 61.21 C ATOM 401 CD ARG A 25 12.819 0.572 -0.033 1.00 62.01 C ATOM 402 NE ARG A 25 12.818 -0.467 0.991 1.00 53.25 N ATOM 403 CZ ARG A 25 13.632 -1.485 1.011 1.00 5.34 C ATOM 404 NH1 ARG A 25 14.568 -1.600 0.122 1.00 71.24 N ATOM 405 NH2 ARG A 25 13.519 -2.368 1.948 1.00 44.24 N ATOM 0 H ARG A 25 9.248 1.855 -0.963 1.00 52.23 H new ATOM 0 HA ARG A 25 10.482 4.078 0.194 1.00 15.34 H new ATOM 0 HB2 ARG A 25 11.505 2.074 -1.877 1.00 33.23 H new ATOM 0 HB3 ARG A 25 12.541 3.164 -0.977 1.00 33.23 H new ATOM 0 HG2 ARG A 25 11.874 2.100 1.141 1.00 61.21 H new ATOM 0 HG3 ARG A 25 10.753 1.056 0.291 1.00 61.21 H new ATOM 0 HD2 ARG A 25 12.701 0.116 -1.016 1.00 62.01 H new ATOM 0 HD3 ARG A 25 13.781 1.084 -0.033 1.00 62.01 H new ATOM 0 HE ARG A 25 12.133 -0.392 1.743 1.00 53.25 H new ATOM 0 HH11 ARG A 25 14.673 -0.890 -0.603 1.00 71.24 H new ATOM 0 HH12 ARG A 25 15.199 -2.401 0.147 1.00 71.24 H new ATOM 0 HH21 ARG A 25 12.798 -2.264 2.662 1.00 44.24 H new ATOM 0 HH22 ARG A 25 14.151 -3.169 1.973 1.00 44.24 H new ATOM 419 N LYS A 26 9.777 4.556 -2.928 1.00 61.55 N ATOM 420 CA LYS A 26 9.823 5.527 -4.031 1.00 4.44 C ATOM 421 C LYS A 26 8.989 6.786 -3.732 1.00 3.32 C ATOM 422 O LYS A 26 9.011 7.752 -4.496 1.00 12.21 O ATOM 423 CB LYS A 26 9.340 4.871 -5.336 1.00 11.43 C ATOM 424 CG LYS A 26 10.209 3.704 -5.829 1.00 34.42 C ATOM 425 CD LYS A 26 11.419 4.155 -6.664 1.00 73.14 C ATOM 426 CE LYS A 26 12.476 4.893 -5.844 1.00 60.24 C ATOM 427 NZ LYS A 26 13.666 5.249 -6.662 1.00 52.04 N ATOM 0 H LYS A 26 9.108 3.798 -3.062 1.00 61.55 H new ATOM 0 HA LYS A 26 10.860 5.842 -4.143 1.00 4.44 H new ATOM 0 HB2 LYS A 26 8.321 4.511 -5.190 1.00 11.43 H new ATOM 0 HB3 LYS A 26 9.301 5.631 -6.116 1.00 11.43 H new ATOM 0 HG2 LYS A 26 10.562 3.135 -4.969 1.00 34.42 H new ATOM 0 HG3 LYS A 26 9.595 3.030 -6.427 1.00 34.42 H new ATOM 0 HD2 LYS A 26 11.875 3.282 -7.131 1.00 73.14 H new ATOM 0 HD3 LYS A 26 11.075 4.804 -7.469 1.00 73.14 H new ATOM 0 HE2 LYS A 26 12.041 5.799 -5.423 1.00 60.24 H new ATOM 0 HE3 LYS A 26 12.786 4.269 -5.006 1.00 60.24 H new ATOM 0 HZ1 LYS A 26 14.359 5.748 -6.068 1.00 52.04 H new ATOM 0 HZ2 LYS A 26 14.097 4.383 -7.043 1.00 52.04 H new ATOM 0 HZ3 LYS A 26 13.375 5.866 -7.448 1.00 52.04 H new ATOM 441 N MET A 27 8.263 6.775 -2.615 1.00 21.23 N ATOM 442 CA MET A 27 7.410 7.907 -2.226 1.00 52.43 C ATOM 443 C MET A 27 7.713 8.364 -0.790 1.00 44.14 C ATOM 444 O MET A 27 8.407 7.676 -0.042 1.00 12.21 O ATOM 445 CB MET A 27 5.927 7.513 -2.342 1.00 0.54 C ATOM 446 CG MET A 27 5.503 7.101 -3.747 1.00 53.52 C ATOM 447 SD MET A 27 3.758 6.647 -3.840 1.00 51.43 S ATOM 448 CE MET A 27 3.718 5.202 -2.779 1.00 45.15 C ATOM 0 H MET A 27 8.246 5.994 -1.959 1.00 21.23 H new ATOM 0 HA MET A 27 7.622 8.736 -2.902 1.00 52.43 H new ATOM 0 HB2 MET A 27 5.726 6.690 -1.657 1.00 0.54 H new ATOM 0 HB3 MET A 27 5.312 8.353 -2.020 1.00 0.54 H new ATOM 0 HG2 MET A 27 5.698 7.922 -4.437 1.00 53.52 H new ATOM 0 HG3 MET A 27 6.112 6.258 -4.074 1.00 53.52 H new ATOM 0 HE1 MET A 27 2.780 4.667 -2.929 1.00 45.15 H new ATOM 0 HE2 MET A 27 4.553 4.547 -3.025 1.00 45.15 H new ATOM 0 HE3 MET A 27 3.796 5.513 -1.737 1.00 45.15 H new ATOM 458 N ASN A 28 7.203 9.537 -0.415 1.00 55.41 N ATOM 459 CA ASN A 28 7.305 9.999 0.973 1.00 51.04 C ATOM 460 C ASN A 28 6.311 9.225 1.847 1.00 61.14 C ATOM 461 O ASN A 28 5.166 9.009 1.451 1.00 62.21 O ATOM 462 CB ASN A 28 7.017 11.503 1.082 1.00 51.33 C ATOM 463 CG ASN A 28 7.788 12.330 0.073 1.00 43.44 C ATOM 464 OD1 ASN A 28 8.943 12.681 0.287 1.00 4.21 O ATOM 465 ND2 ASN A 28 7.140 12.688 -1.014 1.00 71.44 N ATOM 0 H ASN A 28 6.720 10.180 -1.043 1.00 55.41 H new ATOM 0 HA ASN A 28 8.324 9.819 1.317 1.00 51.04 H new ATOM 0 HB2 ASN A 28 5.949 11.674 0.943 1.00 51.33 H new ATOM 0 HB3 ASN A 28 7.266 11.843 2.087 1.00 51.33 H new ATOM 0 HD21 ASN A 28 7.598 13.276 -1.711 1.00 71.44 H new ATOM 0 HD22 ASN A 28 6.179 12.378 -1.160 1.00 71.44 H new ATOM 472 N LEU A 29 6.738 8.807 3.031 1.00 53.55 N ATOM 473 CA LEU A 29 5.874 8.029 3.928 1.00 42.33 C ATOM 474 C LEU A 29 5.695 8.730 5.277 1.00 22.02 C ATOM 475 O LEU A 29 6.595 9.428 5.748 1.00 32.55 O ATOM 476 CB LEU A 29 6.467 6.633 4.158 1.00 21.21 C ATOM 477 CG LEU A 29 6.688 5.790 2.893 1.00 51.32 C ATOM 478 CD1 LEU A 29 7.303 4.439 3.252 1.00 54.31 C ATOM 479 CD2 LEU A 29 5.377 5.606 2.127 1.00 71.13 C ATOM 0 H LEU A 29 7.672 8.989 3.397 1.00 53.55 H new ATOM 0 HA LEU A 29 4.898 7.941 3.450 1.00 42.33 H new ATOM 0 HB2 LEU A 29 7.422 6.744 4.671 1.00 21.21 H new ATOM 0 HB3 LEU A 29 5.807 6.083 4.829 1.00 21.21 H new ATOM 0 HG LEU A 29 7.384 6.321 2.244 1.00 51.32 H new ATOM 0 HD11 LEU A 29 7.453 3.855 2.344 1.00 54.31 H new ATOM 0 HD12 LEU A 29 8.262 4.595 3.745 1.00 54.31 H new ATOM 0 HD13 LEU A 29 6.633 3.901 3.923 1.00 54.31 H new ATOM 0 HD21 LEU A 29 5.558 5.006 1.235 1.00 71.13 H new ATOM 0 HD22 LEU A 29 4.651 5.100 2.764 1.00 71.13 H new ATOM 0 HD23 LEU A 29 4.986 6.581 1.835 1.00 71.13 H new ATOM 491 N THR A 30 4.525 8.552 5.892 1.00 10.13 N ATOM 492 CA THR A 30 4.313 9.032 7.263 1.00 55.01 C ATOM 493 C THR A 30 5.197 8.244 8.238 1.00 65.14 C ATOM 494 O THR A 30 5.471 7.063 8.024 1.00 15.35 O ATOM 495 CB THR A 30 2.830 8.931 7.706 1.00 33.34 C ATOM 496 OG1 THR A 30 2.679 9.427 9.045 1.00 51.30 O ATOM 497 CG2 THR A 30 2.319 7.496 7.633 1.00 55.23 C ATOM 0 H THR A 30 3.720 8.087 5.473 1.00 10.13 H new ATOM 0 HA THR A 30 4.587 10.087 7.278 1.00 55.01 H new ATOM 0 HB THR A 30 2.239 9.538 7.020 1.00 33.34 H new ATOM 0 HG1 THR A 30 1.739 9.360 9.314 1.00 51.30 H new ATOM 0 HG21 THR A 30 1.277 7.464 7.951 1.00 55.23 H new ATOM 0 HG22 THR A 30 2.397 7.134 6.608 1.00 55.23 H new ATOM 0 HG23 THR A 30 2.917 6.863 8.288 1.00 55.23 H new ATOM 505 N ARG A 31 5.641 8.902 9.303 1.00 11.40 N ATOM 506 CA ARG A 31 6.625 8.317 10.224 1.00 52.53 C ATOM 507 C ARG A 31 6.190 6.931 10.740 1.00 22.11 C ATOM 508 O ARG A 31 6.972 5.974 10.722 1.00 11.21 O ATOM 509 CB ARG A 31 6.866 9.275 11.397 1.00 25.02 C ATOM 510 CG ARG A 31 7.256 10.692 10.968 1.00 45.51 C ATOM 511 CD ARG A 31 8.531 10.715 10.129 1.00 43.24 C ATOM 512 NE ARG A 31 8.893 12.070 9.716 1.00 72.14 N ATOM 513 CZ ARG A 31 9.615 12.351 8.665 1.00 72.45 C ATOM 514 NH1 ARG A 31 10.098 11.413 7.916 1.00 61.41 N ATOM 515 NH2 ARG A 31 9.865 13.582 8.372 1.00 2.52 N ATOM 0 H ARG A 31 5.338 9.843 9.555 1.00 11.40 H new ATOM 0 HA ARG A 31 7.554 8.172 9.672 1.00 52.53 H new ATOM 0 HB2 ARG A 31 5.962 9.325 12.004 1.00 25.02 H new ATOM 0 HB3 ARG A 31 7.654 8.868 12.031 1.00 25.02 H new ATOM 0 HG2 ARG A 31 6.440 11.133 10.396 1.00 45.51 H new ATOM 0 HG3 ARG A 31 7.396 11.312 11.854 1.00 45.51 H new ATOM 0 HD2 ARG A 31 9.350 10.280 10.702 1.00 43.24 H new ATOM 0 HD3 ARG A 31 8.394 10.091 9.245 1.00 43.24 H new ATOM 0 HE ARG A 31 8.560 12.847 10.287 1.00 72.14 H new ATOM 0 HH11 ARG A 31 9.917 10.435 8.143 1.00 61.41 H new ATOM 0 HH12 ARG A 31 10.660 11.651 7.099 1.00 61.41 H new ATOM 0 HH21 ARG A 31 9.499 14.331 8.960 1.00 2.52 H new ATOM 0 HH22 ARG A 31 10.429 13.807 7.552 1.00 2.52 H new ATOM 529 N GLY A 32 4.943 6.828 11.187 1.00 61.43 N ATOM 530 CA GLY A 32 4.427 5.562 11.701 1.00 42.33 C ATOM 531 C GLY A 32 3.480 4.858 10.732 1.00 33.33 C ATOM 532 O GLY A 32 2.347 4.518 11.090 1.00 51.20 O ATOM 0 H GLY A 32 4.275 7.598 11.205 1.00 61.43 H new ATOM 0 HA2 GLY A 32 5.264 4.901 11.925 1.00 42.33 H new ATOM 0 HA3 GLY A 32 3.905 5.745 12.640 1.00 42.33 H new ATOM 536 N ILE A 33 3.935 4.641 9.500 1.00 55.34 N ATOM 537 CA ILE A 33 3.130 3.935 8.500 1.00 60.54 C ATOM 538 C ILE A 33 3.142 2.413 8.750 1.00 62.33 C ATOM 539 O ILE A 33 4.172 1.749 8.623 1.00 25.13 O ATOM 540 CB ILE A 33 3.607 4.252 7.054 1.00 63.43 C ATOM 541 CG1 ILE A 33 2.726 3.524 6.023 1.00 32.03 C ATOM 542 CG2 ILE A 33 5.085 3.899 6.861 1.00 42.13 C ATOM 543 CD1 ILE A 33 3.046 3.877 4.585 1.00 31.32 C ATOM 0 H ILE A 33 4.852 4.941 9.169 1.00 55.34 H new ATOM 0 HA ILE A 33 2.105 4.292 8.601 1.00 60.54 H new ATOM 0 HB ILE A 33 3.505 5.326 6.896 1.00 63.43 H new ATOM 0 HG12 ILE A 33 2.840 2.448 6.157 1.00 32.03 H new ATOM 0 HG13 ILE A 33 1.681 3.761 6.221 1.00 32.03 H new ATOM 0 HG21 ILE A 33 5.385 4.133 5.840 1.00 42.13 H new ATOM 0 HG22 ILE A 33 5.691 4.477 7.559 1.00 42.13 H new ATOM 0 HG23 ILE A 33 5.232 2.835 7.047 1.00 42.13 H new ATOM 0 HD11 ILE A 33 2.384 3.324 3.919 1.00 31.32 H new ATOM 0 HD12 ILE A 33 2.904 4.947 4.433 1.00 31.32 H new ATOM 0 HD13 ILE A 33 4.081 3.614 4.368 1.00 31.32 H new ATOM 555 N ASN A 34 1.991 1.868 9.132 1.00 11.41 N ATOM 556 CA ASN A 34 1.878 0.439 9.439 1.00 40.03 C ATOM 557 C ASN A 34 1.452 -0.365 8.196 1.00 23.41 C ATOM 558 O ASN A 34 0.269 -0.432 7.858 1.00 64.41 O ATOM 559 CB ASN A 34 0.879 0.229 10.589 1.00 52.53 C ATOM 560 CG ASN A 34 0.795 -1.217 11.057 1.00 74.05 C ATOM 561 OD1 ASN A 34 1.027 -2.150 10.296 1.00 1.25 O ATOM 562 ND2 ASN A 34 0.448 -1.416 12.310 1.00 34.14 N ATOM 0 H ASN A 34 1.122 2.391 9.237 1.00 11.41 H new ATOM 0 HA ASN A 34 2.857 0.074 9.749 1.00 40.03 H new ATOM 0 HB2 ASN A 34 1.166 0.860 11.430 1.00 52.53 H new ATOM 0 HB3 ASN A 34 -0.109 0.557 10.267 1.00 52.53 H new ATOM 0 HD21 ASN A 34 0.366 -2.366 12.672 1.00 34.14 H new ATOM 0 HD22 ASN A 34 0.261 -0.620 12.920 1.00 34.14 H new ATOM 569 N LEU A 35 2.426 -0.966 7.517 1.00 60.32 N ATOM 570 CA LEU A 35 2.152 -1.800 6.339 1.00 53.22 C ATOM 571 C LEU A 35 1.740 -3.231 6.736 1.00 52.12 C ATOM 572 O LEU A 35 1.181 -3.971 5.926 1.00 73.43 O ATOM 573 CB LEU A 35 3.383 -1.834 5.421 1.00 3.04 C ATOM 574 CG LEU A 35 3.798 -0.478 4.824 1.00 42.12 C ATOM 575 CD1 LEU A 35 5.088 -0.611 4.015 1.00 0.43 C ATOM 576 CD2 LEU A 35 2.673 0.095 3.960 1.00 32.11 C ATOM 0 H LEU A 35 3.414 -0.894 7.759 1.00 60.32 H new ATOM 0 HA LEU A 35 1.314 -1.355 5.802 1.00 53.22 H new ATOM 0 HB2 LEU A 35 4.225 -2.237 5.985 1.00 3.04 H new ATOM 0 HB3 LEU A 35 3.186 -2.527 4.603 1.00 3.04 H new ATOM 0 HG LEU A 35 3.986 0.213 5.646 1.00 42.12 H new ATOM 0 HD11 LEU A 35 5.361 0.361 3.603 1.00 0.43 H new ATOM 0 HD12 LEU A 35 5.888 -0.968 4.663 1.00 0.43 H new ATOM 0 HD13 LEU A 35 4.936 -1.320 3.201 1.00 0.43 H new ATOM 0 HD21 LEU A 35 2.984 1.054 3.546 1.00 32.11 H new ATOM 0 HD22 LEU A 35 2.451 -0.596 3.147 1.00 32.11 H new ATOM 0 HD23 LEU A 35 1.781 0.236 4.571 1.00 32.11 H new ATOM 588 N ARG A 36 2.001 -3.610 7.987 1.00 54.10 N ATOM 589 CA ARG A 36 1.650 -4.952 8.474 1.00 72.40 C ATOM 590 C ARG A 36 0.126 -5.150 8.494 1.00 62.13 C ATOM 591 O ARG A 36 -0.387 -6.162 8.013 1.00 41.44 O ATOM 592 CB ARG A 36 2.225 -5.182 9.878 1.00 14.33 C ATOM 593 CG ARG A 36 2.092 -6.625 10.358 1.00 43.55 C ATOM 594 CD ARG A 36 2.607 -6.809 11.782 1.00 4.21 C ATOM 595 NE ARG A 36 2.733 -8.220 12.131 1.00 11.24 N ATOM 596 CZ ARG A 36 2.794 -8.681 13.348 1.00 63.32 C ATOM 597 NH1 ARG A 36 2.636 -7.895 14.365 1.00 34.22 N ATOM 598 NH2 ARG A 36 2.990 -9.942 13.548 1.00 51.14 N ATOM 0 H ARG A 36 2.451 -3.014 8.681 1.00 54.10 H new ATOM 0 HA ARG A 36 2.084 -5.680 7.789 1.00 72.40 H new ATOM 0 HB2 ARG A 36 3.278 -4.901 9.882 1.00 14.33 H new ATOM 0 HB3 ARG A 36 1.717 -4.524 10.583 1.00 14.33 H new ATOM 0 HG2 ARG A 36 1.046 -6.927 10.310 1.00 43.55 H new ATOM 0 HG3 ARG A 36 2.644 -7.282 9.686 1.00 43.55 H new ATOM 0 HD2 ARG A 36 3.576 -6.321 11.885 1.00 4.21 H new ATOM 0 HD3 ARG A 36 1.928 -6.320 12.481 1.00 4.21 H new ATOM 0 HE ARG A 36 2.776 -8.894 11.367 1.00 11.24 H new ATOM 0 HH11 ARG A 36 2.461 -6.901 14.219 1.00 34.22 H new ATOM 0 HH12 ARG A 36 2.686 -8.270 15.312 1.00 34.22 H new ATOM 0 HH21 ARG A 36 3.097 -10.574 12.754 1.00 51.14 H new ATOM 0 HH22 ARG A 36 3.038 -10.306 14.500 1.00 51.14 H new ATOM 612 N LYS A 37 -0.588 -4.173 9.056 1.00 5.32 N ATOM 613 CA LYS A 37 -2.057 -4.182 9.059 1.00 3.45 C ATOM 614 C LYS A 37 -2.589 -4.364 7.626 1.00 74.13 C ATOM 615 O LYS A 37 -3.537 -5.111 7.385 1.00 44.41 O ATOM 616 CB LYS A 37 -2.585 -2.869 9.688 1.00 14.00 C ATOM 617 CG LYS A 37 -4.063 -2.892 10.101 1.00 74.34 C ATOM 618 CD LYS A 37 -5.027 -2.741 8.922 1.00 63.45 C ATOM 619 CE LYS A 37 -5.072 -1.321 8.363 1.00 33.42 C ATOM 620 NZ LYS A 37 -5.678 -0.352 9.317 1.00 43.13 N ATOM 0 H LYS A 37 -0.174 -3.363 9.517 1.00 5.32 H new ATOM 0 HA LYS A 37 -2.414 -5.019 9.659 1.00 3.45 H new ATOM 0 HB2 LYS A 37 -1.982 -2.637 10.566 1.00 14.00 H new ATOM 0 HB3 LYS A 37 -2.436 -2.058 8.976 1.00 14.00 H new ATOM 0 HG2 LYS A 37 -4.274 -3.830 10.615 1.00 74.34 H new ATOM 0 HG3 LYS A 37 -4.245 -2.089 10.815 1.00 74.34 H new ATOM 0 HD2 LYS A 37 -4.732 -3.428 8.129 1.00 63.45 H new ATOM 0 HD3 LYS A 37 -6.028 -3.032 9.240 1.00 63.45 H new ATOM 0 HE2 LYS A 37 -4.060 -0.999 8.116 1.00 33.42 H new ATOM 0 HE3 LYS A 37 -5.643 -1.317 7.435 1.00 33.42 H new ATOM 0 HZ1 LYS A 37 -6.231 0.354 8.790 1.00 43.13 H new ATOM 0 HZ2 LYS A 37 -6.302 -0.859 9.977 1.00 43.13 H new ATOM 0 HZ3 LYS A 37 -4.925 0.127 9.851 1.00 43.13 H new ATOM 634 N ILE A 38 -1.943 -3.692 6.674 1.00 50.55 N ATOM 635 CA ILE A 38 -2.304 -3.803 5.258 1.00 21.33 C ATOM 636 C ILE A 38 -2.123 -5.248 4.763 1.00 23.14 C ATOM 637 O ILE A 38 -2.987 -5.800 4.081 1.00 52.34 O ATOM 638 CB ILE A 38 -1.450 -2.842 4.390 1.00 21.44 C ATOM 639 CG1 ILE A 38 -1.554 -1.400 4.922 1.00 11.20 C ATOM 640 CG2 ILE A 38 -1.871 -2.909 2.920 1.00 22.02 C ATOM 641 CD1 ILE A 38 -2.973 -0.871 4.986 1.00 65.45 C ATOM 0 H ILE A 38 -1.163 -3.061 6.857 1.00 50.55 H new ATOM 0 HA ILE A 38 -3.353 -3.523 5.161 1.00 21.33 H new ATOM 0 HB ILE A 38 -0.409 -3.160 4.455 1.00 21.44 H new ATOM 0 HG12 ILE A 38 -1.116 -1.358 5.919 1.00 11.20 H new ATOM 0 HG13 ILE A 38 -0.960 -0.744 4.285 1.00 11.20 H new ATOM 0 HG21 ILE A 38 -1.256 -2.226 2.334 1.00 22.02 H new ATOM 0 HG22 ILE A 38 -1.738 -3.925 2.549 1.00 22.02 H new ATOM 0 HG23 ILE A 38 -2.919 -2.624 2.828 1.00 22.02 H new ATOM 0 HD11 ILE A 38 -2.964 0.149 5.370 1.00 65.45 H new ATOM 0 HD12 ILE A 38 -3.410 -0.879 3.987 1.00 65.45 H new ATOM 0 HD13 ILE A 38 -3.567 -1.502 5.647 1.00 65.45 H new ATOM 653 N ALA A 39 -0.998 -5.858 5.136 1.00 2.34 N ATOM 654 CA ALA A 39 -0.703 -7.250 4.776 1.00 32.02 C ATOM 655 C ALA A 39 -1.752 -8.227 5.339 1.00 31.32 C ATOM 656 O ALA A 39 -2.035 -9.266 4.736 1.00 61.33 O ATOM 657 CB ALA A 39 0.692 -7.630 5.263 1.00 51.41 C ATOM 0 H ALA A 39 -0.270 -5.409 5.691 1.00 2.34 H new ATOM 0 HA ALA A 39 -0.741 -7.326 3.689 1.00 32.02 H new ATOM 0 HB1 ALA A 39 0.903 -8.664 4.992 1.00 51.41 H new ATOM 0 HB2 ALA A 39 1.430 -6.976 4.799 1.00 51.41 H new ATOM 0 HB3 ALA A 39 0.741 -7.522 6.347 1.00 51.41 H new ATOM 663 N GLU A 40 -2.313 -7.893 6.499 1.00 35.14 N ATOM 664 CA GLU A 40 -3.381 -8.695 7.113 1.00 75.34 C ATOM 665 C GLU A 40 -4.714 -8.540 6.367 1.00 33.41 C ATOM 666 O GLU A 40 -5.512 -9.478 6.305 1.00 61.42 O ATOM 667 CB GLU A 40 -3.552 -8.312 8.592 1.00 23.31 C ATOM 668 CG GLU A 40 -2.576 -9.022 9.525 1.00 51.01 C ATOM 669 CD GLU A 40 -2.845 -10.519 9.608 1.00 10.51 C ATOM 670 OE1 GLU A 40 -3.703 -10.929 10.419 1.00 65.03 O ATOM 671 OE2 GLU A 40 -2.224 -11.290 8.843 1.00 3.53 O ATOM 0 H GLU A 40 -2.047 -7.069 7.039 1.00 35.14 H new ATOM 0 HA GLU A 40 -3.085 -9.742 7.045 1.00 75.34 H new ATOM 0 HB2 GLU A 40 -3.423 -7.235 8.697 1.00 23.31 H new ATOM 0 HB3 GLU A 40 -4.571 -8.543 8.903 1.00 23.31 H new ATOM 0 HG2 GLU A 40 -1.557 -8.857 9.176 1.00 51.01 H new ATOM 0 HG3 GLU A 40 -2.646 -8.586 10.522 1.00 51.01 H new ATOM 678 N LEU A 41 -4.951 -7.362 5.799 1.00 51.53 N ATOM 679 CA LEU A 41 -6.172 -7.112 5.023 1.00 5.32 C ATOM 680 C LEU A 41 -6.146 -7.829 3.663 1.00 23.34 C ATOM 681 O LEU A 41 -7.148 -7.846 2.946 1.00 74.35 O ATOM 682 CB LEU A 41 -6.371 -5.605 4.804 1.00 42.41 C ATOM 683 CG LEU A 41 -6.486 -4.757 6.082 1.00 0.10 C ATOM 684 CD1 LEU A 41 -6.739 -3.291 5.735 1.00 61.03 C ATOM 685 CD2 LEU A 41 -7.588 -5.295 6.993 1.00 11.44 C ATOM 0 H LEU A 41 -4.319 -6.564 5.858 1.00 51.53 H new ATOM 0 HA LEU A 41 -7.005 -7.512 5.601 1.00 5.32 H new ATOM 0 HB2 LEU A 41 -5.536 -5.228 4.214 1.00 42.41 H new ATOM 0 HB3 LEU A 41 -7.273 -5.458 4.210 1.00 42.41 H new ATOM 0 HG LEU A 41 -5.540 -4.822 6.620 1.00 0.10 H new ATOM 0 HD11 LEU A 41 -6.817 -2.708 6.653 1.00 61.03 H new ATOM 0 HD12 LEU A 41 -5.913 -2.912 5.134 1.00 61.03 H new ATOM 0 HD13 LEU A 41 -7.668 -3.206 5.171 1.00 61.03 H new ATOM 0 HD21 LEU A 41 -7.651 -4.680 7.890 1.00 11.44 H new ATOM 0 HD22 LEU A 41 -8.542 -5.267 6.466 1.00 11.44 H new ATOM 0 HD23 LEU A 41 -7.359 -6.323 7.273 1.00 11.44 H new ATOM 697 N MET A 42 -5.000 -8.410 3.321 1.00 42.41 N ATOM 698 CA MET A 42 -4.813 -9.103 2.040 1.00 40.55 C ATOM 699 C MET A 42 -4.893 -10.639 2.209 1.00 35.34 C ATOM 700 O MET A 42 -3.897 -11.285 2.526 1.00 34.51 O ATOM 701 CB MET A 42 -3.446 -8.712 1.453 1.00 24.33 C ATOM 702 CG MET A 42 -3.252 -7.209 1.288 1.00 13.12 C ATOM 703 SD MET A 42 -4.263 -6.508 -0.030 1.00 52.42 S ATOM 704 CE MET A 42 -3.426 -7.142 -1.479 1.00 61.14 C ATOM 0 H MET A 42 -4.174 -8.417 3.919 1.00 42.41 H new ATOM 0 HA MET A 42 -5.613 -8.802 1.364 1.00 40.55 H new ATOM 0 HB2 MET A 42 -2.659 -9.101 2.099 1.00 24.33 H new ATOM 0 HB3 MET A 42 -3.328 -9.193 0.482 1.00 24.33 H new ATOM 0 HG2 MET A 42 -3.494 -6.712 2.227 1.00 13.12 H new ATOM 0 HG3 MET A 42 -2.202 -7.005 1.080 1.00 13.12 H new ATOM 0 HE1 MET A 42 -3.376 -6.363 -2.240 1.00 61.14 H new ATOM 0 HE2 MET A 42 -2.416 -7.452 -1.210 1.00 61.14 H new ATOM 0 HE3 MET A 42 -3.976 -7.998 -1.871 1.00 61.14 H new ATOM 714 N PRO A 43 -6.082 -11.245 2.009 1.00 11.30 N ATOM 715 CA PRO A 43 -6.256 -12.708 2.134 1.00 14.35 C ATOM 716 C PRO A 43 -5.583 -13.498 0.993 1.00 52.12 C ATOM 717 O PRO A 43 -6.033 -13.454 -0.156 1.00 1.22 O ATOM 718 CB PRO A 43 -7.781 -12.881 2.090 1.00 30.44 C ATOM 719 CG PRO A 43 -8.268 -11.707 1.309 1.00 54.50 C ATOM 720 CD PRO A 43 -7.349 -10.569 1.667 1.00 1.24 C ATOM 0 HA PRO A 43 -5.790 -13.095 3.040 1.00 14.35 H new ATOM 0 HB2 PRO A 43 -8.060 -13.820 1.611 1.00 30.44 H new ATOM 0 HB3 PRO A 43 -8.208 -12.895 3.093 1.00 30.44 H new ATOM 0 HG2 PRO A 43 -8.240 -11.910 0.238 1.00 54.50 H new ATOM 0 HG3 PRO A 43 -9.301 -11.470 1.562 1.00 54.50 H new ATOM 0 HD2 PRO A 43 -7.223 -9.877 0.834 1.00 1.24 H new ATOM 0 HD3 PRO A 43 -7.735 -9.990 2.506 1.00 1.24 H new ATOM 728 N GLY A 44 -4.491 -14.200 1.319 1.00 63.43 N ATOM 729 CA GLY A 44 -3.780 -15.015 0.332 1.00 43.30 C ATOM 730 C GLY A 44 -3.367 -14.249 -0.926 1.00 62.51 C ATOM 731 O GLY A 44 -3.166 -14.843 -1.990 1.00 43.22 O ATOM 0 H GLY A 44 -4.084 -14.219 2.254 1.00 63.43 H new ATOM 0 HA2 GLY A 44 -2.889 -15.436 0.798 1.00 43.30 H new ATOM 0 HA3 GLY A 44 -4.414 -15.853 0.043 1.00 43.30 H new ATOM 735 N ALA A 45 -3.224 -12.932 -0.806 1.00 35.03 N ATOM 736 CA ALA A 45 -2.911 -12.077 -1.956 1.00 51.41 C ATOM 737 C ALA A 45 -1.413 -12.094 -2.301 1.00 44.12 C ATOM 738 O ALA A 45 -0.558 -11.970 -1.423 1.00 3.11 O ATOM 739 CB ALA A 45 -3.376 -10.655 -1.691 1.00 70.55 C ATOM 0 H ALA A 45 -3.319 -12.429 0.076 1.00 35.03 H new ATOM 0 HA ALA A 45 -3.445 -12.478 -2.817 1.00 51.41 H new ATOM 0 HB1 ALA A 45 -3.139 -10.028 -2.551 1.00 70.55 H new ATOM 0 HB2 ALA A 45 -4.453 -10.650 -1.524 1.00 70.55 H new ATOM 0 HB3 ALA A 45 -2.870 -10.265 -0.808 1.00 70.55 H new ATOM 745 N SER A 46 -1.108 -12.241 -3.587 1.00 31.21 N ATOM 746 CA SER A 46 0.282 -12.303 -4.063 1.00 11.41 C ATOM 747 C SER A 46 0.817 -10.918 -4.461 1.00 14.52 C ATOM 748 O SER A 46 0.104 -9.911 -4.388 1.00 43.45 O ATOM 749 CB SER A 46 0.382 -13.248 -5.266 1.00 22.25 C ATOM 750 OG SER A 46 -0.336 -12.740 -6.386 1.00 74.32 O ATOM 0 H SER A 46 -1.805 -12.320 -4.327 1.00 31.21 H new ATOM 0 HA SER A 46 0.890 -12.677 -3.239 1.00 11.41 H new ATOM 0 HB2 SER A 46 1.429 -13.387 -5.536 1.00 22.25 H new ATOM 0 HB3 SER A 46 -0.010 -14.228 -4.994 1.00 22.25 H new ATOM 0 HG SER A 46 -0.253 -13.363 -7.138 1.00 74.32 H new ATOM 756 N GLY A 47 2.080 -10.880 -4.898 1.00 24.20 N ATOM 757 CA GLY A 47 2.707 -9.633 -5.332 1.00 13.34 C ATOM 758 C GLY A 47 1.936 -8.907 -6.430 1.00 31.24 C ATOM 759 O GLY A 47 2.052 -7.686 -6.576 1.00 32.14 O ATOM 0 H GLY A 47 2.685 -11.699 -4.960 1.00 24.20 H new ATOM 0 HA2 GLY A 47 2.809 -8.970 -4.473 1.00 13.34 H new ATOM 0 HA3 GLY A 47 3.714 -9.848 -5.689 1.00 13.34 H new ATOM 763 N ALA A 48 1.149 -9.655 -7.204 1.00 53.34 N ATOM 764 CA ALA A 48 0.314 -9.072 -8.258 1.00 2.20 C ATOM 765 C ALA A 48 -0.745 -8.129 -7.667 1.00 31.45 C ATOM 766 O ALA A 48 -0.949 -7.016 -8.156 1.00 41.24 O ATOM 767 CB ALA A 48 -0.353 -10.176 -9.071 1.00 74.41 C ATOM 0 H ALA A 48 1.071 -10.669 -7.121 1.00 53.34 H new ATOM 0 HA ALA A 48 0.956 -8.486 -8.916 1.00 2.20 H new ATOM 0 HB1 ALA A 48 -0.971 -9.731 -9.851 1.00 74.41 H new ATOM 0 HB2 ALA A 48 0.412 -10.804 -9.528 1.00 74.41 H new ATOM 0 HB3 ALA A 48 -0.978 -10.783 -8.416 1.00 74.41 H new ATOM 773 N GLU A 49 -1.406 -8.583 -6.602 1.00 71.32 N ATOM 774 CA GLU A 49 -2.430 -7.779 -5.927 1.00 32.43 C ATOM 775 C GLU A 49 -1.787 -6.627 -5.141 1.00 44.51 C ATOM 776 O GLU A 49 -2.266 -5.491 -5.167 1.00 45.14 O ATOM 777 CB GLU A 49 -3.263 -8.656 -4.975 1.00 70.01 C ATOM 778 CG GLU A 49 -3.764 -9.959 -5.595 1.00 3.01 C ATOM 779 CD GLU A 49 -4.486 -9.755 -6.918 1.00 63.42 C ATOM 780 OE1 GLU A 49 -5.569 -9.133 -6.928 1.00 2.02 O ATOM 781 OE2 GLU A 49 -3.980 -10.228 -7.957 1.00 75.31 O ATOM 0 H GLU A 49 -1.252 -9.502 -6.187 1.00 71.32 H new ATOM 0 HA GLU A 49 -3.086 -7.360 -6.690 1.00 32.43 H new ATOM 0 HB2 GLU A 49 -2.661 -8.893 -4.098 1.00 70.01 H new ATOM 0 HB3 GLU A 49 -4.120 -8.080 -4.627 1.00 70.01 H new ATOM 0 HG2 GLU A 49 -2.918 -10.629 -5.750 1.00 3.01 H new ATOM 0 HG3 GLU A 49 -4.437 -10.452 -4.894 1.00 3.01 H new ATOM 788 N VAL A 50 -0.693 -6.935 -4.443 1.00 42.34 N ATOM 789 CA VAL A 50 0.057 -5.933 -3.679 1.00 22.21 C ATOM 790 C VAL A 50 0.516 -4.770 -4.579 1.00 40.43 C ATOM 791 O VAL A 50 0.543 -3.611 -4.154 1.00 55.12 O ATOM 792 CB VAL A 50 1.288 -6.569 -2.982 1.00 12.43 C ATOM 793 CG1 VAL A 50 2.080 -5.523 -2.202 1.00 11.42 C ATOM 794 CG2 VAL A 50 0.857 -7.717 -2.069 1.00 44.11 C ATOM 0 H VAL A 50 -0.303 -7.876 -4.390 1.00 42.34 H new ATOM 0 HA VAL A 50 -0.617 -5.540 -2.917 1.00 22.21 H new ATOM 0 HB VAL A 50 1.941 -6.973 -3.755 1.00 12.43 H new ATOM 0 HG11 VAL A 50 2.937 -5.997 -1.724 1.00 11.42 H new ATOM 0 HG12 VAL A 50 2.428 -4.747 -2.884 1.00 11.42 H new ATOM 0 HG13 VAL A 50 1.441 -5.076 -1.440 1.00 11.42 H new ATOM 0 HG21 VAL A 50 1.735 -8.150 -1.589 1.00 44.11 H new ATOM 0 HG22 VAL A 50 0.176 -7.339 -1.306 1.00 44.11 H new ATOM 0 HG23 VAL A 50 0.352 -8.482 -2.659 1.00 44.11 H new ATOM 804 N LYS A 51 0.867 -5.094 -5.826 1.00 52.02 N ATOM 805 CA LYS A 51 1.229 -4.080 -6.823 1.00 71.13 C ATOM 806 C LYS A 51 0.080 -3.078 -7.030 1.00 0.24 C ATOM 807 O LYS A 51 0.295 -1.864 -7.049 1.00 13.13 O ATOM 808 CB LYS A 51 1.583 -4.757 -8.156 1.00 72.01 C ATOM 809 CG LYS A 51 1.885 -3.776 -9.287 1.00 31.55 C ATOM 810 CD LYS A 51 2.201 -4.490 -10.602 1.00 13.22 C ATOM 811 CE LYS A 51 1.057 -5.389 -11.061 1.00 15.15 C ATOM 812 NZ LYS A 51 1.304 -5.954 -12.413 1.00 33.22 N ATOM 0 H LYS A 51 0.909 -6.053 -6.171 1.00 52.02 H new ATOM 0 HA LYS A 51 2.097 -3.533 -6.456 1.00 71.13 H new ATOM 0 HB2 LYS A 51 2.449 -5.401 -8.006 1.00 72.01 H new ATOM 0 HB3 LYS A 51 0.756 -5.400 -8.457 1.00 72.01 H new ATOM 0 HG2 LYS A 51 1.030 -3.115 -9.431 1.00 31.55 H new ATOM 0 HG3 LYS A 51 2.730 -3.147 -9.005 1.00 31.55 H new ATOM 0 HD2 LYS A 51 2.411 -3.749 -11.374 1.00 13.22 H new ATOM 0 HD3 LYS A 51 3.104 -5.088 -10.480 1.00 13.22 H new ATOM 0 HE2 LYS A 51 0.925 -6.202 -10.347 1.00 15.15 H new ATOM 0 HE3 LYS A 51 0.128 -4.818 -11.070 1.00 15.15 H new ATOM 0 HZ1 LYS A 51 0.504 -6.559 -12.688 1.00 33.22 H new ATOM 0 HZ2 LYS A 51 1.405 -5.180 -13.100 1.00 33.22 H new ATOM 0 HZ3 LYS A 51 2.177 -6.520 -12.399 1.00 33.22 H new ATOM 826 N GLY A 52 -1.137 -3.597 -7.188 1.00 0.22 N ATOM 827 CA GLY A 52 -2.308 -2.739 -7.332 1.00 34.33 C ATOM 828 C GLY A 52 -2.527 -1.841 -6.116 1.00 43.24 C ATOM 829 O GLY A 52 -2.857 -0.662 -6.252 1.00 23.45 O ATOM 0 H GLY A 52 -1.335 -4.597 -7.219 1.00 0.22 H new ATOM 0 HA2 GLY A 52 -2.194 -2.119 -8.221 1.00 34.33 H new ATOM 0 HA3 GLY A 52 -3.192 -3.358 -7.486 1.00 34.33 H new ATOM 833 N VAL A 53 -2.328 -2.405 -4.927 1.00 12.52 N ATOM 834 CA VAL A 53 -2.488 -1.664 -3.670 1.00 21.21 C ATOM 835 C VAL A 53 -1.516 -0.473 -3.579 1.00 52.44 C ATOM 836 O VAL A 53 -1.934 0.663 -3.351 1.00 12.24 O ATOM 837 CB VAL A 53 -2.280 -2.590 -2.446 1.00 41.00 C ATOM 838 CG1 VAL A 53 -2.374 -1.803 -1.138 1.00 22.24 C ATOM 839 CG2 VAL A 53 -3.290 -3.737 -2.466 1.00 12.15 C ATOM 0 H VAL A 53 -2.054 -3.380 -4.804 1.00 12.52 H new ATOM 0 HA VAL A 53 -3.508 -1.280 -3.662 1.00 21.21 H new ATOM 0 HB VAL A 53 -1.278 -3.014 -2.507 1.00 41.00 H new ATOM 0 HG11 VAL A 53 -2.224 -2.478 -0.296 1.00 22.24 H new ATOM 0 HG12 VAL A 53 -1.607 -1.029 -1.123 1.00 22.24 H new ATOM 0 HG13 VAL A 53 -3.358 -1.340 -1.062 1.00 22.24 H new ATOM 0 HG21 VAL A 53 -3.130 -4.378 -1.599 1.00 12.15 H new ATOM 0 HG22 VAL A 53 -4.301 -3.332 -2.436 1.00 12.15 H new ATOM 0 HG23 VAL A 53 -3.160 -4.320 -3.378 1.00 12.15 H new ATOM 849 N CYS A 54 -0.221 -0.734 -3.762 1.00 34.14 N ATOM 850 CA CYS A 54 0.795 0.327 -3.686 1.00 4.32 C ATOM 851 C CYS A 54 0.564 1.396 -4.763 1.00 24.12 C ATOM 852 O CYS A 54 0.796 2.585 -4.534 1.00 64.11 O ATOM 853 CB CYS A 54 2.205 -0.257 -3.829 1.00 32.42 C ATOM 854 SG CYS A 54 2.583 -0.908 -5.473 1.00 30.12 S ATOM 0 H CYS A 54 0.151 -1.662 -3.963 1.00 34.14 H new ATOM 0 HA CYS A 54 0.704 0.797 -2.707 1.00 4.32 H new ATOM 0 HB2 CYS A 54 2.932 0.517 -3.582 1.00 32.42 H new ATOM 0 HB3 CYS A 54 2.330 -1.056 -3.098 1.00 32.42 H new ATOM 0 HG CYS A 54 1.475 -1.154 -6.107 1.00 30.12 H new ATOM 860 N THR A 55 0.091 0.968 -5.935 1.00 62.32 N ATOM 861 CA THR A 55 -0.207 1.894 -7.037 1.00 75.34 C ATOM 862 C THR A 55 -1.378 2.825 -6.679 1.00 73.03 C ATOM 863 O THR A 55 -1.266 4.048 -6.782 1.00 33.02 O ATOM 864 CB THR A 55 -0.546 1.137 -8.345 1.00 61.10 C ATOM 865 OG1 THR A 55 0.534 0.257 -8.710 1.00 13.33 O ATOM 866 CG2 THR A 55 -0.812 2.110 -9.491 1.00 44.11 C ATOM 0 H THR A 55 -0.095 -0.012 -6.148 1.00 62.32 H new ATOM 0 HA THR A 55 0.693 2.488 -7.197 1.00 75.34 H new ATOM 0 HB THR A 55 -1.448 0.552 -8.164 1.00 61.10 H new ATOM 0 HG1 THR A 55 0.465 -0.576 -8.198 1.00 13.33 H new ATOM 0 HG21 THR A 55 -1.047 1.550 -10.396 1.00 44.11 H new ATOM 0 HG22 THR A 55 -1.653 2.754 -9.234 1.00 44.11 H new ATOM 0 HG23 THR A 55 0.074 2.721 -9.662 1.00 44.11 H new ATOM 874 N GLU A 56 -2.496 2.234 -6.250 1.00 12.42 N ATOM 875 CA GLU A 56 -3.685 3.008 -5.863 1.00 14.21 C ATOM 876 C GLU A 56 -3.386 3.950 -4.688 1.00 62.14 C ATOM 877 O GLU A 56 -3.832 5.097 -4.680 1.00 11.20 O ATOM 878 CB GLU A 56 -4.849 2.073 -5.503 1.00 23.32 C ATOM 879 CG GLU A 56 -5.404 1.288 -6.685 1.00 23.32 C ATOM 880 CD GLU A 56 -5.934 2.190 -7.791 1.00 11.00 C ATOM 881 OE1 GLU A 56 -6.859 2.985 -7.522 1.00 45.31 O ATOM 882 OE2 GLU A 56 -5.441 2.098 -8.934 1.00 14.02 O ATOM 0 H GLU A 56 -2.606 1.224 -6.161 1.00 12.42 H new ATOM 0 HA GLU A 56 -3.971 3.616 -6.721 1.00 14.21 H new ATOM 0 HB2 GLU A 56 -4.514 1.371 -4.739 1.00 23.32 H new ATOM 0 HB3 GLU A 56 -5.653 2.663 -5.063 1.00 23.32 H new ATOM 0 HG2 GLU A 56 -4.622 0.646 -7.089 1.00 23.32 H new ATOM 0 HG3 GLU A 56 -6.205 0.635 -6.339 1.00 23.32 H new ATOM 889 N ALA A 57 -2.627 3.464 -3.703 1.00 40.42 N ATOM 890 CA ALA A 57 -2.210 4.292 -2.562 1.00 55.03 C ATOM 891 C ALA A 57 -1.509 5.577 -3.035 1.00 4.43 C ATOM 892 O ALA A 57 -1.796 6.674 -2.550 1.00 4.23 O ATOM 893 CB ALA A 57 -1.294 3.494 -1.640 1.00 10.42 C ATOM 0 H ALA A 57 -2.287 2.503 -3.670 1.00 40.42 H new ATOM 0 HA ALA A 57 -3.103 4.582 -2.008 1.00 55.03 H new ATOM 0 HB1 ALA A 57 -0.992 4.118 -0.799 1.00 10.42 H new ATOM 0 HB2 ALA A 57 -1.825 2.617 -1.269 1.00 10.42 H new ATOM 0 HB3 ALA A 57 -0.410 3.176 -2.192 1.00 10.42 H new ATOM 899 N GLY A 58 -0.592 5.428 -3.994 1.00 32.03 N ATOM 900 CA GLY A 58 0.061 6.584 -4.595 1.00 31.12 C ATOM 901 C GLY A 58 -0.922 7.499 -5.325 1.00 1.20 C ATOM 902 O GLY A 58 -0.828 8.725 -5.235 1.00 34.10 O ATOM 0 H GLY A 58 -0.290 4.527 -4.365 1.00 32.03 H new ATOM 0 HA2 GLY A 58 0.573 7.152 -3.818 1.00 31.12 H new ATOM 0 HA3 GLY A 58 0.823 6.243 -5.295 1.00 31.12 H new ATOM 906 N MET A 59 -1.880 6.902 -6.038 1.00 43.34 N ATOM 907 CA MET A 59 -2.919 7.667 -6.741 1.00 74.23 C ATOM 908 C MET A 59 -3.760 8.496 -5.755 1.00 21.45 C ATOM 909 O MET A 59 -4.142 9.629 -6.051 1.00 22.11 O ATOM 910 CB MET A 59 -3.835 6.729 -7.544 1.00 1.21 C ATOM 911 CG MET A 59 -3.128 5.881 -8.605 1.00 10.21 C ATOM 912 SD MET A 59 -2.957 6.716 -10.204 1.00 23.32 S ATOM 913 CE MET A 59 -1.800 8.033 -9.832 1.00 3.20 C ATOM 0 H MET A 59 -1.960 5.891 -6.145 1.00 43.34 H new ATOM 0 HA MET A 59 -2.418 8.348 -7.428 1.00 74.23 H new ATOM 0 HB2 MET A 59 -4.345 6.062 -6.849 1.00 1.21 H new ATOM 0 HB3 MET A 59 -4.603 7.328 -8.033 1.00 1.21 H new ATOM 0 HG2 MET A 59 -2.138 5.608 -8.239 1.00 10.21 H new ATOM 0 HG3 MET A 59 -3.683 4.954 -8.746 1.00 10.21 H new ATOM 0 HE1 MET A 59 -1.203 8.253 -10.717 1.00 3.20 H new ATOM 0 HE2 MET A 59 -2.349 8.926 -9.533 1.00 3.20 H new ATOM 0 HE3 MET A 59 -1.144 7.722 -9.019 1.00 3.20 H new ATOM 923 N TYR A 60 -4.043 7.925 -4.584 1.00 1.32 N ATOM 924 CA TYR A 60 -4.783 8.635 -3.535 1.00 73.33 C ATOM 925 C TYR A 60 -3.992 9.850 -3.031 1.00 13.30 C ATOM 926 O TYR A 60 -4.516 10.966 -2.965 1.00 60.21 O ATOM 927 CB TYR A 60 -5.104 7.696 -2.364 1.00 25.22 C ATOM 928 CG TYR A 60 -5.950 6.493 -2.747 1.00 33.41 C ATOM 929 CD1 TYR A 60 -6.941 6.590 -3.721 1.00 32.35 C ATOM 930 CD2 TYR A 60 -5.755 5.256 -2.140 1.00 42.35 C ATOM 931 CE1 TYR A 60 -7.708 5.497 -4.072 1.00 44.42 C ATOM 932 CE2 TYR A 60 -6.521 4.161 -2.489 1.00 40.44 C ATOM 933 CZ TYR A 60 -7.493 4.286 -3.454 1.00 62.20 C ATOM 934 OH TYR A 60 -8.262 3.194 -3.798 1.00 22.33 O ATOM 0 H TYR A 60 -3.772 6.973 -4.336 1.00 1.32 H new ATOM 0 HA TYR A 60 -5.719 8.986 -3.969 1.00 73.33 H new ATOM 0 HB2 TYR A 60 -4.169 7.345 -1.927 1.00 25.22 H new ATOM 0 HB3 TYR A 60 -5.625 8.261 -1.591 1.00 25.22 H new ATOM 0 HD1 TYR A 60 -7.112 7.537 -4.210 1.00 32.35 H new ATOM 0 HD2 TYR A 60 -4.992 5.150 -1.383 1.00 42.35 H new ATOM 0 HE1 TYR A 60 -8.473 5.592 -4.828 1.00 44.42 H new ATOM 0 HE2 TYR A 60 -6.357 3.209 -2.005 1.00 40.44 H new ATOM 0 HH TYR A 60 -8.616 2.774 -2.986 1.00 22.33 H new ATOM 944 N ALA A 61 -2.724 9.630 -2.693 1.00 61.23 N ATOM 945 CA ALA A 61 -1.843 10.713 -2.247 1.00 34.24 C ATOM 946 C ALA A 61 -1.794 11.860 -3.270 1.00 72.01 C ATOM 947 O ALA A 61 -1.993 13.026 -2.923 1.00 23.55 O ATOM 948 CB ALA A 61 -0.441 10.175 -1.983 1.00 44.12 C ATOM 0 H ALA A 61 -2.281 8.712 -2.719 1.00 61.23 H new ATOM 0 HA ALA A 61 -2.251 11.116 -1.320 1.00 34.24 H new ATOM 0 HB1 ALA A 61 0.205 10.989 -1.652 1.00 44.12 H new ATOM 0 HB2 ALA A 61 -0.485 9.409 -1.209 1.00 44.12 H new ATOM 0 HB3 ALA A 61 -0.039 9.742 -2.899 1.00 44.12 H new ATOM 954 N LEU A 62 -1.548 11.518 -4.536 1.00 3.54 N ATOM 955 CA LEU A 62 -1.451 12.519 -5.609 1.00 52.50 C ATOM 956 C LEU A 62 -2.767 13.298 -5.800 1.00 13.23 C ATOM 957 O LEU A 62 -2.764 14.530 -5.846 1.00 62.22 O ATOM 958 CB LEU A 62 -1.041 11.850 -6.930 1.00 45.02 C ATOM 959 CG LEU A 62 0.345 11.179 -6.925 1.00 53.35 C ATOM 960 CD1 LEU A 62 0.629 10.519 -8.274 1.00 41.11 C ATOM 961 CD2 LEU A 62 1.439 12.189 -6.571 1.00 34.13 C ATOM 0 H LEU A 62 -1.412 10.556 -4.847 1.00 3.54 H new ATOM 0 HA LEU A 62 -0.685 13.235 -5.311 1.00 52.50 H new ATOM 0 HB2 LEU A 62 -1.789 11.099 -7.186 1.00 45.02 H new ATOM 0 HB3 LEU A 62 -1.060 12.601 -7.720 1.00 45.02 H new ATOM 0 HG LEU A 62 0.344 10.403 -6.160 1.00 53.35 H new ATOM 0 HD11 LEU A 62 1.613 10.051 -8.250 1.00 41.11 H new ATOM 0 HD12 LEU A 62 -0.129 9.762 -8.475 1.00 41.11 H new ATOM 0 HD13 LEU A 62 0.605 11.273 -9.060 1.00 41.11 H new ATOM 0 HD21 LEU A 62 2.409 11.691 -6.574 1.00 34.13 H new ATOM 0 HD22 LEU A 62 1.442 12.994 -7.306 1.00 34.13 H new ATOM 0 HD23 LEU A 62 1.246 12.602 -5.581 1.00 34.13 H new ATOM 973 N ARG A 63 -3.891 12.582 -5.901 1.00 2.53 N ATOM 974 CA ARG A 63 -5.199 13.228 -6.114 1.00 33.24 C ATOM 975 C ARG A 63 -5.592 14.122 -4.922 1.00 62.42 C ATOM 976 O ARG A 63 -6.337 15.091 -5.077 1.00 3.31 O ATOM 977 CB ARG A 63 -6.294 12.181 -6.377 1.00 61.21 C ATOM 978 CG ARG A 63 -6.614 11.292 -5.178 1.00 72.52 C ATOM 979 CD ARG A 63 -7.698 10.263 -5.493 1.00 23.42 C ATOM 980 NE ARG A 63 -7.314 9.363 -6.582 1.00 30.40 N ATOM 981 CZ ARG A 63 -8.023 8.337 -6.974 1.00 35.01 C ATOM 982 NH1 ARG A 63 -9.144 8.040 -6.397 1.00 23.10 N ATOM 983 NH2 ARG A 63 -7.607 7.608 -7.956 1.00 43.44 N ATOM 0 H ARG A 63 -3.927 11.564 -5.840 1.00 2.53 H new ATOM 0 HA ARG A 63 -5.105 13.863 -6.995 1.00 33.24 H new ATOM 0 HB2 ARG A 63 -7.204 12.694 -6.687 1.00 61.21 H new ATOM 0 HB3 ARG A 63 -5.984 11.550 -7.210 1.00 61.21 H new ATOM 0 HG2 ARG A 63 -5.708 10.776 -4.859 1.00 72.52 H new ATOM 0 HG3 ARG A 63 -6.938 11.914 -4.343 1.00 72.52 H new ATOM 0 HD2 ARG A 63 -7.910 9.677 -4.599 1.00 23.42 H new ATOM 0 HD3 ARG A 63 -8.619 10.780 -5.761 1.00 23.42 H new ATOM 0 HE ARG A 63 -6.436 9.549 -7.067 1.00 30.40 H new ATOM 0 HH11 ARG A 63 -9.486 8.610 -5.624 1.00 23.10 H new ATOM 0 HH12 ARG A 63 -9.684 7.236 -6.716 1.00 23.10 H new ATOM 0 HH21 ARG A 63 -6.728 7.834 -8.422 1.00 43.44 H new ATOM 0 HH22 ARG A 63 -8.157 6.807 -8.265 1.00 43.44 H new ATOM 997 N GLU A 64 -5.092 13.790 -3.732 1.00 13.54 N ATOM 998 CA GLU A 64 -5.344 14.602 -2.532 1.00 31.15 C ATOM 999 C GLU A 64 -4.187 15.578 -2.254 1.00 24.35 C ATOM 1000 O GLU A 64 -4.132 16.209 -1.194 1.00 21.23 O ATOM 1001 CB GLU A 64 -5.578 13.692 -1.319 1.00 41.15 C ATOM 1002 CG GLU A 64 -6.803 12.793 -1.459 1.00 52.33 C ATOM 1003 CD GLU A 64 -7.115 12.017 -0.192 1.00 61.53 C ATOM 1004 OE1 GLU A 64 -7.344 12.660 0.857 1.00 32.30 O ATOM 1005 OE2 GLU A 64 -7.159 10.772 -0.239 1.00 1.42 O ATOM 0 H GLU A 64 -4.511 12.968 -3.569 1.00 13.54 H new ATOM 0 HA GLU A 64 -6.240 15.196 -2.712 1.00 31.15 H new ATOM 0 HB2 GLU A 64 -4.696 13.070 -1.166 1.00 41.15 H new ATOM 0 HB3 GLU A 64 -5.690 14.310 -0.428 1.00 41.15 H new ATOM 0 HG2 GLU A 64 -7.666 13.403 -1.727 1.00 52.33 H new ATOM 0 HG3 GLU A 64 -6.641 12.092 -2.278 1.00 52.33 H new ATOM 1012 N ARG A 65 -3.264 15.692 -3.214 1.00 51.41 N ATOM 1013 CA ARG A 65 -2.145 16.645 -3.138 1.00 15.53 C ATOM 1014 C ARG A 65 -1.276 16.420 -1.887 1.00 65.30 C ATOM 1015 O ARG A 65 -0.610 17.339 -1.402 1.00 30.51 O ATOM 1016 CB ARG A 65 -2.678 18.087 -3.170 1.00 53.55 C ATOM 1017 CG ARG A 65 -3.652 18.362 -4.318 1.00 42.15 C ATOM 1018 CD ARG A 65 -3.063 17.993 -5.677 1.00 62.33 C ATOM 1019 NE ARG A 65 -1.885 18.796 -6.003 1.00 32.04 N ATOM 1020 CZ ARG A 65 -0.910 18.392 -6.773 1.00 73.31 C ATOM 1021 NH1 ARG A 65 -0.920 17.201 -7.283 1.00 15.14 N ATOM 1022 NH2 ARG A 65 0.072 19.188 -7.039 1.00 72.21 N ATOM 0 H ARG A 65 -3.269 15.129 -4.065 1.00 51.41 H new ATOM 0 HA ARG A 65 -1.508 16.476 -4.006 1.00 15.53 H new ATOM 0 HB2 ARG A 65 -3.176 18.301 -2.224 1.00 53.55 H new ATOM 0 HB3 ARG A 65 -1.835 18.774 -3.249 1.00 53.55 H new ATOM 0 HG2 ARG A 65 -4.570 17.797 -4.156 1.00 42.15 H new ATOM 0 HG3 ARG A 65 -3.924 19.418 -4.316 1.00 42.15 H new ATOM 0 HD2 ARG A 65 -2.793 16.937 -5.680 1.00 62.33 H new ATOM 0 HD3 ARG A 65 -3.820 18.131 -6.449 1.00 62.33 H new ATOM 0 HE ARG A 65 -1.820 19.732 -5.603 1.00 32.04 H new ATOM 0 HH11 ARG A 65 -1.695 16.568 -7.085 1.00 15.14 H new ATOM 0 HH12 ARG A 65 -0.153 16.897 -7.883 1.00 15.14 H new ATOM 0 HH21 ARG A 65 0.085 20.130 -6.648 1.00 72.21 H new ATOM 0 HH22 ARG A 65 0.834 18.874 -7.640 1.00 72.21 H new ATOM 1036 N ARG A 66 -1.286 15.194 -1.373 1.00 42.24 N ATOM 1037 CA ARG A 66 -0.499 14.836 -0.189 1.00 2.34 C ATOM 1038 C ARG A 66 0.996 14.713 -0.521 1.00 70.32 C ATOM 1039 O ARG A 66 1.369 14.291 -1.617 1.00 54.53 O ATOM 1040 CB ARG A 66 -0.998 13.509 0.406 1.00 11.02 C ATOM 1041 CG ARG A 66 -2.420 13.560 0.959 1.00 2.21 C ATOM 1042 CD ARG A 66 -2.852 12.209 1.524 1.00 31.51 C ATOM 1043 NE ARG A 66 -4.137 12.287 2.216 1.00 24.43 N ATOM 1044 CZ ARG A 66 -4.774 11.253 2.698 1.00 15.11 C ATOM 1045 NH1 ARG A 66 -4.328 10.050 2.524 1.00 20.53 N ATOM 1046 NH2 ARG A 66 -5.875 11.423 3.350 1.00 35.24 N ATOM 0 H ARG A 66 -1.833 14.424 -1.758 1.00 42.24 H new ATOM 0 HA ARG A 66 -0.627 15.636 0.540 1.00 2.34 H new ATOM 0 HB2 ARG A 66 -0.948 12.739 -0.363 1.00 11.02 H new ATOM 0 HB3 ARG A 66 -0.321 13.206 1.205 1.00 11.02 H new ATOM 0 HG2 ARG A 66 -2.480 14.318 1.740 1.00 2.21 H new ATOM 0 HG3 ARG A 66 -3.108 13.861 0.169 1.00 2.21 H new ATOM 0 HD2 ARG A 66 -2.921 11.483 0.714 1.00 31.51 H new ATOM 0 HD3 ARG A 66 -2.091 11.845 2.214 1.00 31.51 H new ATOM 0 HE ARG A 66 -4.563 13.207 2.330 1.00 24.43 H new ATOM 0 HH11 ARG A 66 -3.465 9.897 2.003 1.00 20.53 H new ATOM 0 HH12 ARG A 66 -4.840 9.256 2.908 1.00 20.53 H new ATOM 0 HH21 ARG A 66 -6.246 12.363 3.488 1.00 35.24 H new ATOM 0 HH22 ARG A 66 -6.374 10.617 3.727 1.00 35.24 H new ATOM 1060 N VAL A 67 1.844 15.077 0.434 1.00 45.52 N ATOM 1061 CA VAL A 67 3.290 14.917 0.275 1.00 14.32 C ATOM 1062 C VAL A 67 3.720 13.486 0.629 1.00 33.12 C ATOM 1063 O VAL A 67 4.510 12.867 -0.087 1.00 54.13 O ATOM 1064 CB VAL A 67 4.069 15.921 1.165 1.00 51.23 C ATOM 1065 CG1 VAL A 67 5.578 15.785 0.955 1.00 52.45 C ATOM 1066 CG2 VAL A 67 3.608 17.353 0.893 1.00 63.53 C ATOM 0 H VAL A 67 1.559 15.484 1.325 1.00 45.52 H new ATOM 0 HA VAL A 67 3.526 15.118 -0.770 1.00 14.32 H new ATOM 0 HB VAL A 67 3.855 15.686 2.207 1.00 51.23 H new ATOM 0 HG11 VAL A 67 6.100 16.500 1.591 1.00 52.45 H new ATOM 0 HG12 VAL A 67 5.892 14.774 1.213 1.00 52.45 H new ATOM 0 HG13 VAL A 67 5.819 15.984 -0.089 1.00 52.45 H new ATOM 0 HG21 VAL A 67 4.166 18.042 1.527 1.00 63.53 H new ATOM 0 HG22 VAL A 67 3.785 17.599 -0.154 1.00 63.53 H new ATOM 0 HG23 VAL A 67 2.544 17.440 1.112 1.00 63.53 H new ATOM 1076 N HIS A 68 3.177 12.961 1.728 1.00 34.54 N ATOM 1077 CA HIS A 68 3.531 11.619 2.205 1.00 32.44 C ATOM 1078 C HIS A 68 2.301 10.705 2.312 1.00 4.45 C ATOM 1079 O HIS A 68 1.231 11.126 2.754 1.00 50.43 O ATOM 1080 CB HIS A 68 4.247 11.704 3.564 1.00 0.42 C ATOM 1081 CG HIS A 68 3.459 12.389 4.643 1.00 44.42 C ATOM 1082 ND1 HIS A 68 3.681 13.693 5.021 1.00 31.01 N ATOM 1083 CD2 HIS A 68 2.466 11.935 5.446 1.00 55.40 C ATOM 1084 CE1 HIS A 68 2.864 14.013 6.003 1.00 75.32 C ATOM 1085 NE2 HIS A 68 2.116 12.966 6.280 1.00 41.43 N ATOM 0 H HIS A 68 2.489 13.443 2.307 1.00 34.54 H new ATOM 0 HA HIS A 68 4.206 11.180 1.470 1.00 32.44 H new ATOM 0 HB2 HIS A 68 4.491 10.695 3.895 1.00 0.42 H new ATOM 0 HB3 HIS A 68 5.191 12.232 3.430 1.00 0.42 H new ATOM 0 HD2 HIS A 68 2.032 10.946 5.432 1.00 55.40 H new ATOM 0 HE1 HIS A 68 2.816 14.972 6.497 1.00 75.32 H new ATOM 0 HE2 HIS A 68 1.393 12.928 6.999 1.00 41.43 H new ATOM 1094 N VAL A 69 2.474 9.446 1.919 1.00 50.33 N ATOM 1095 CA VAL A 69 1.397 8.453 1.964 1.00 75.15 C ATOM 1096 C VAL A 69 1.230 7.871 3.382 1.00 63.42 C ATOM 1097 O VAL A 69 2.197 7.784 4.150 1.00 22.31 O ATOM 1098 CB VAL A 69 1.676 7.301 0.963 1.00 41.23 C ATOM 1099 CG1 VAL A 69 0.480 6.356 0.859 1.00 65.32 C ATOM 1100 CG2 VAL A 69 2.050 7.857 -0.412 1.00 3.24 C ATOM 0 H VAL A 69 3.358 9.084 1.562 1.00 50.33 H new ATOM 0 HA VAL A 69 0.473 8.960 1.685 1.00 75.15 H new ATOM 0 HB VAL A 69 2.522 6.727 1.342 1.00 41.23 H new ATOM 0 HG11 VAL A 69 0.706 5.559 0.150 1.00 65.32 H new ATOM 0 HG12 VAL A 69 0.272 5.923 1.837 1.00 65.32 H new ATOM 0 HG13 VAL A 69 -0.393 6.911 0.515 1.00 65.32 H new ATOM 0 HG21 VAL A 69 2.241 7.032 -1.098 1.00 3.24 H new ATOM 0 HG22 VAL A 69 1.230 8.464 -0.794 1.00 3.24 H new ATOM 0 HG23 VAL A 69 2.946 8.472 -0.325 1.00 3.24 H new ATOM 1110 N THR A 70 0.003 7.481 3.724 1.00 51.24 N ATOM 1111 CA THR A 70 -0.301 6.904 5.043 1.00 10.33 C ATOM 1112 C THR A 70 -0.884 5.493 4.907 1.00 71.12 C ATOM 1113 O THR A 70 -1.093 5.001 3.796 1.00 74.24 O ATOM 1114 CB THR A 70 -1.326 7.767 5.821 1.00 62.11 C ATOM 1115 OG1 THR A 70 -2.620 7.664 5.209 1.00 53.45 O ATOM 1116 CG2 THR A 70 -0.898 9.233 5.869 1.00 75.42 C ATOM 0 H THR A 70 -0.805 7.553 3.105 1.00 51.24 H new ATOM 0 HA THR A 70 0.642 6.872 5.588 1.00 10.33 H new ATOM 0 HB THR A 70 -1.372 7.390 6.843 1.00 62.11 H new ATOM 0 HG1 THR A 70 -2.523 7.678 4.234 1.00 53.45 H new ATOM 0 HG21 THR A 70 -1.639 9.810 6.422 1.00 75.42 H new ATOM 0 HG22 THR A 70 0.069 9.314 6.365 1.00 75.42 H new ATOM 0 HG23 THR A 70 -0.818 9.622 4.854 1.00 75.42 H new ATOM 1124 N GLN A 71 -1.154 4.842 6.042 1.00 12.11 N ATOM 1125 CA GLN A 71 -1.814 3.532 6.035 1.00 73.31 C ATOM 1126 C GLN A 71 -3.233 3.638 5.452 1.00 63.03 C ATOM 1127 O GLN A 71 -3.723 2.710 4.805 1.00 33.03 O ATOM 1128 CB GLN A 71 -1.878 2.946 7.457 1.00 73.42 C ATOM 1129 CG GLN A 71 -2.774 1.716 7.570 1.00 64.24 C ATOM 1130 CD GLN A 71 -2.851 1.154 8.978 1.00 71.35 C ATOM 1131 OE1 GLN A 71 -3.673 1.565 9.789 1.00 21.00 O ATOM 1132 NE2 GLN A 71 -2.025 0.174 9.270 1.00 21.32 N ATOM 0 H GLN A 71 -0.928 5.197 6.971 1.00 12.11 H new ATOM 0 HA GLN A 71 -1.224 2.866 5.405 1.00 73.31 H new ATOM 0 HB2 GLN A 71 -0.870 2.682 7.778 1.00 73.42 H new ATOM 0 HB3 GLN A 71 -2.240 3.713 8.141 1.00 73.42 H new ATOM 0 HG2 GLN A 71 -3.778 1.975 7.235 1.00 64.24 H new ATOM 0 HG3 GLN A 71 -2.403 0.942 6.898 1.00 64.24 H new ATOM 0 HE21 GLN A 71 -1.351 -0.148 8.576 1.00 21.32 H new ATOM 0 HE22 GLN A 71 -2.058 -0.264 10.191 1.00 21.32 H new ATOM 1141 N GLU A 72 -3.871 4.789 5.682 1.00 52.43 N ATOM 1142 CA GLU A 72 -5.242 5.047 5.222 1.00 63.53 C ATOM 1143 C GLU A 72 -5.374 4.830 3.705 1.00 31.51 C ATOM 1144 O GLU A 72 -6.335 4.218 3.231 1.00 60.10 O ATOM 1145 CB GLU A 72 -5.640 6.488 5.581 1.00 23.42 C ATOM 1146 CG GLU A 72 -5.508 6.812 7.069 1.00 54.11 C ATOM 1147 CD GLU A 72 -5.774 8.280 7.385 1.00 12.13 C ATOM 1148 OE1 GLU A 72 -6.946 8.644 7.631 1.00 24.02 O ATOM 1149 OE2 GLU A 72 -4.813 9.076 7.392 1.00 13.22 O ATOM 0 H GLU A 72 -3.454 5.568 6.191 1.00 52.43 H new ATOM 0 HA GLU A 72 -5.909 4.344 5.720 1.00 63.53 H new ATOM 0 HB2 GLU A 72 -5.019 7.179 5.012 1.00 23.42 H new ATOM 0 HB3 GLU A 72 -6.671 6.658 5.272 1.00 23.42 H new ATOM 0 HG2 GLU A 72 -6.205 6.192 7.633 1.00 54.11 H new ATOM 0 HG3 GLU A 72 -4.505 6.550 7.405 1.00 54.11 H new ATOM 1156 N ASP A 73 -4.394 5.331 2.954 1.00 74.41 N ATOM 1157 CA ASP A 73 -4.364 5.176 1.496 1.00 72.23 C ATOM 1158 C ASP A 73 -4.271 3.694 1.092 1.00 61.34 C ATOM 1159 O ASP A 73 -5.044 3.210 0.261 1.00 71.00 O ATOM 1160 CB ASP A 73 -3.173 5.948 0.915 1.00 24.54 C ATOM 1161 CG ASP A 73 -3.174 7.407 1.342 1.00 4.14 C ATOM 1162 OD1 ASP A 73 -2.579 7.724 2.394 1.00 72.41 O ATOM 1163 OD2 ASP A 73 -3.777 8.239 0.636 1.00 71.12 O ATOM 0 H ASP A 73 -3.603 5.852 3.333 1.00 74.41 H new ATOM 0 HA ASP A 73 -5.294 5.579 1.094 1.00 72.23 H new ATOM 0 HB2 ASP A 73 -2.244 5.477 1.237 1.00 24.54 H new ATOM 0 HB3 ASP A 73 -3.199 5.889 -0.173 1.00 24.54 H new ATOM 1168 N PHE A 74 -3.324 2.977 1.700 1.00 3.43 N ATOM 1169 CA PHE A 74 -3.088 1.564 1.377 1.00 53.42 C ATOM 1170 C PHE A 74 -4.321 0.679 1.639 1.00 52.22 C ATOM 1171 O PHE A 74 -4.698 -0.120 0.785 1.00 31.12 O ATOM 1172 CB PHE A 74 -1.882 1.021 2.160 1.00 3.24 C ATOM 1173 CG PHE A 74 -0.547 1.472 1.622 1.00 72.52 C ATOM 1174 CD1 PHE A 74 0.106 0.735 0.640 1.00 51.11 C ATOM 1175 CD2 PHE A 74 0.058 2.625 2.095 1.00 30.10 C ATOM 1176 CE1 PHE A 74 1.328 1.143 0.142 1.00 3.24 C ATOM 1177 CE2 PHE A 74 1.281 3.038 1.599 1.00 62.15 C ATOM 1178 CZ PHE A 74 1.918 2.295 0.623 1.00 33.15 C ATOM 0 H PHE A 74 -2.706 3.350 2.420 1.00 3.43 H new ATOM 0 HA PHE A 74 -2.878 1.523 0.308 1.00 53.42 H new ATOM 0 HB2 PHE A 74 -1.967 1.334 3.201 1.00 3.24 H new ATOM 0 HB3 PHE A 74 -1.917 -0.068 2.151 1.00 3.24 H new ATOM 0 HD1 PHE A 74 -0.349 -0.169 0.262 1.00 51.11 H new ATOM 0 HD2 PHE A 74 -0.432 3.209 2.861 1.00 30.10 H new ATOM 0 HE1 PHE A 74 1.821 0.562 -0.623 1.00 3.24 H new ATOM 0 HE2 PHE A 74 1.739 3.941 1.974 1.00 62.15 H new ATOM 0 HZ PHE A 74 2.875 2.615 0.238 1.00 33.15 H new ATOM 1188 N GLU A 75 -4.946 0.815 2.810 1.00 12.31 N ATOM 1189 CA GLU A 75 -6.116 -0.018 3.140 1.00 20.10 C ATOM 1190 C GLU A 75 -7.314 0.301 2.229 1.00 54.43 C ATOM 1191 O GLU A 75 -8.092 -0.587 1.878 1.00 72.32 O ATOM 1192 CB GLU A 75 -6.496 0.110 4.626 1.00 55.23 C ATOM 1193 CG GLU A 75 -6.804 1.526 5.102 1.00 72.23 C ATOM 1194 CD GLU A 75 -7.136 1.569 6.589 1.00 1.14 C ATOM 1195 OE1 GLU A 75 -6.198 1.636 7.416 1.00 43.51 O ATOM 1196 OE2 GLU A 75 -8.334 1.509 6.938 1.00 0.45 O ATOM 0 H GLU A 75 -4.673 1.478 3.536 1.00 12.31 H new ATOM 0 HA GLU A 75 -5.835 -1.056 2.959 1.00 20.10 H new ATOM 0 HB2 GLU A 75 -7.367 -0.517 4.816 1.00 55.23 H new ATOM 0 HB3 GLU A 75 -5.679 -0.288 5.228 1.00 55.23 H new ATOM 0 HG2 GLU A 75 -5.947 2.170 4.903 1.00 72.23 H new ATOM 0 HG3 GLU A 75 -7.642 1.926 4.532 1.00 72.23 H new ATOM 1203 N MET A 76 -7.449 1.567 1.835 1.00 15.04 N ATOM 1204 CA MET A 76 -8.454 1.958 0.838 1.00 54.14 C ATOM 1205 C MET A 76 -8.147 1.332 -0.530 1.00 35.44 C ATOM 1206 O MET A 76 -9.052 1.003 -1.299 1.00 52.54 O ATOM 1207 CB MET A 76 -8.527 3.483 0.710 1.00 64.42 C ATOM 1208 CG MET A 76 -9.228 4.161 1.878 1.00 72.23 C ATOM 1209 SD MET A 76 -10.936 3.600 2.080 1.00 71.35 S ATOM 1210 CE MET A 76 -11.617 3.950 0.459 1.00 42.45 C ATOM 0 H MET A 76 -6.881 2.338 2.186 1.00 15.04 H new ATOM 0 HA MET A 76 -9.420 1.587 1.179 1.00 54.14 H new ATOM 0 HB2 MET A 76 -7.516 3.881 0.624 1.00 64.42 H new ATOM 0 HB3 MET A 76 -9.049 3.737 -0.213 1.00 64.42 H new ATOM 0 HG2 MET A 76 -8.673 3.963 2.795 1.00 72.23 H new ATOM 0 HG3 MET A 76 -9.219 5.240 1.726 1.00 72.23 H new ATOM 0 HE1 MET A 76 -12.705 3.964 0.517 1.00 42.45 H new ATOM 0 HE2 MET A 76 -11.259 4.921 0.116 1.00 42.45 H new ATOM 0 HE3 MET A 76 -11.301 3.178 -0.243 1.00 42.45 H new ATOM 1220 N ALA A 77 -6.861 1.190 -0.835 1.00 4.13 N ATOM 1221 CA ALA A 77 -6.425 0.496 -2.047 1.00 51.13 C ATOM 1222 C ALA A 77 -6.781 -0.998 -1.985 1.00 4.30 C ATOM 1223 O ALA A 77 -7.286 -1.567 -2.953 1.00 15.02 O ATOM 1224 CB ALA A 77 -4.927 0.688 -2.243 1.00 35.44 C ATOM 0 H ALA A 77 -6.099 1.547 -0.259 1.00 4.13 H new ATOM 0 HA ALA A 77 -6.949 0.925 -2.901 1.00 51.13 H new ATOM 0 HB1 ALA A 77 -4.609 0.169 -3.147 1.00 35.44 H new ATOM 0 HB2 ALA A 77 -4.706 1.751 -2.338 1.00 35.44 H new ATOM 0 HB3 ALA A 77 -4.393 0.282 -1.384 1.00 35.44 H new ATOM 1230 N VAL A 78 -6.532 -1.622 -0.832 1.00 11.21 N ATOM 1231 CA VAL A 78 -6.877 -3.034 -0.612 1.00 34.01 C ATOM 1232 C VAL A 78 -8.384 -3.277 -0.819 1.00 3.52 C ATOM 1233 O VAL A 78 -8.788 -4.247 -1.466 1.00 62.05 O ATOM 1234 CB VAL A 78 -6.474 -3.500 0.813 1.00 50.33 C ATOM 1235 CG1 VAL A 78 -6.859 -4.961 1.047 1.00 62.21 C ATOM 1236 CG2 VAL A 78 -4.978 -3.293 1.044 1.00 3.24 C ATOM 0 H VAL A 78 -6.090 -1.172 -0.030 1.00 11.21 H new ATOM 0 HA VAL A 78 -6.317 -3.615 -1.345 1.00 34.01 H new ATOM 0 HB VAL A 78 -7.022 -2.891 1.532 1.00 50.33 H new ATOM 0 HG11 VAL A 78 -6.564 -5.258 2.053 1.00 62.21 H new ATOM 0 HG12 VAL A 78 -7.937 -5.075 0.936 1.00 62.21 H new ATOM 0 HG13 VAL A 78 -6.350 -5.592 0.318 1.00 62.21 H new ATOM 0 HG21 VAL A 78 -4.715 -3.626 2.048 1.00 3.24 H new ATOM 0 HG22 VAL A 78 -4.413 -3.870 0.311 1.00 3.24 H new ATOM 0 HG23 VAL A 78 -4.736 -2.236 0.937 1.00 3.24 H new ATOM 1246 N ALA A 79 -9.205 -2.383 -0.269 1.00 32.30 N ATOM 1247 CA ALA A 79 -10.663 -2.464 -0.425 1.00 14.32 C ATOM 1248 C ALA A 79 -11.080 -2.449 -1.905 1.00 51.04 C ATOM 1249 O ALA A 79 -12.019 -3.144 -2.305 1.00 42.14 O ATOM 1250 CB ALA A 79 -11.334 -1.318 0.325 1.00 41.22 C ATOM 0 H ALA A 79 -8.888 -1.591 0.290 1.00 32.30 H new ATOM 0 HA ALA A 79 -10.991 -3.413 -0.001 1.00 14.32 H new ATOM 0 HB1 ALA A 79 -12.415 -1.387 0.203 1.00 41.22 H new ATOM 0 HB2 ALA A 79 -11.084 -1.380 1.384 1.00 41.22 H new ATOM 0 HB3 ALA A 79 -10.984 -0.367 -0.075 1.00 41.22 H new ATOM 1256 N LYS A 80 -10.376 -1.655 -2.713 1.00 32.10 N ATOM 1257 CA LYS A 80 -10.656 -1.566 -4.152 1.00 45.22 C ATOM 1258 C LYS A 80 -10.131 -2.800 -4.909 1.00 71.03 C ATOM 1259 O LYS A 80 -10.898 -3.512 -5.557 1.00 63.04 O ATOM 1260 CB LYS A 80 -10.029 -0.290 -4.741 1.00 61.30 C ATOM 1261 CG LYS A 80 -10.299 -0.109 -6.234 1.00 24.14 C ATOM 1262 CD LYS A 80 -9.563 1.098 -6.817 1.00 72.23 C ATOM 1263 CE LYS A 80 -10.058 2.418 -6.232 1.00 54.40 C ATOM 1264 NZ LYS A 80 -9.297 3.578 -6.767 1.00 41.45 N ATOM 0 H LYS A 80 -9.607 -1.063 -2.398 1.00 32.10 H new ATOM 0 HA LYS A 80 -11.739 -1.528 -4.274 1.00 45.22 H new ATOM 0 HB2 LYS A 80 -10.415 0.576 -4.203 1.00 61.30 H new ATOM 0 HB3 LYS A 80 -8.952 -0.315 -4.575 1.00 61.30 H new ATOM 0 HG2 LYS A 80 -9.994 -1.009 -6.767 1.00 24.14 H new ATOM 0 HG3 LYS A 80 -11.370 0.010 -6.395 1.00 24.14 H new ATOM 0 HD2 LYS A 80 -8.495 0.996 -6.625 1.00 72.23 H new ATOM 0 HD3 LYS A 80 -9.693 1.112 -7.899 1.00 72.23 H new ATOM 0 HE2 LYS A 80 -11.117 2.542 -6.459 1.00 54.40 H new ATOM 0 HE3 LYS A 80 -9.966 2.392 -5.146 1.00 54.40 H new ATOM 0 HZ1 LYS A 80 -8.946 4.157 -5.977 1.00 41.45 H new ATOM 0 HZ2 LYS A 80 -8.492 3.236 -7.330 1.00 41.45 H new ATOM 0 HZ3 LYS A 80 -9.920 4.154 -7.368 1.00 41.45 H new ATOM 1278 N VAL A 81 -8.824 -3.050 -4.808 1.00 72.15 N ATOM 1279 CA VAL A 81 -8.173 -4.148 -5.540 1.00 4.34 C ATOM 1280 C VAL A 81 -8.788 -5.518 -5.213 1.00 40.22 C ATOM 1281 O VAL A 81 -9.095 -6.303 -6.113 1.00 43.10 O ATOM 1282 CB VAL A 81 -6.649 -4.196 -5.242 1.00 12.04 C ATOM 1283 CG1 VAL A 81 -5.972 -5.341 -6.003 1.00 43.33 C ATOM 1284 CG2 VAL A 81 -5.990 -2.859 -5.578 1.00 70.32 C ATOM 0 H VAL A 81 -8.189 -2.506 -4.224 1.00 72.15 H new ATOM 0 HA VAL A 81 -8.335 -3.941 -6.598 1.00 4.34 H new ATOM 0 HB VAL A 81 -6.522 -4.382 -4.176 1.00 12.04 H new ATOM 0 HG11 VAL A 81 -4.906 -5.350 -5.775 1.00 43.33 H new ATOM 0 HG12 VAL A 81 -6.415 -6.290 -5.702 1.00 43.33 H new ATOM 0 HG13 VAL A 81 -6.112 -5.199 -7.075 1.00 43.33 H new ATOM 0 HG21 VAL A 81 -4.923 -2.915 -5.362 1.00 70.32 H new ATOM 0 HG22 VAL A 81 -6.135 -2.637 -6.635 1.00 70.32 H new ATOM 0 HG23 VAL A 81 -6.441 -2.070 -4.977 1.00 70.32 H new ATOM 1294 N MET A 82 -8.975 -5.796 -3.924 1.00 11.51 N ATOM 1295 CA MET A 82 -9.489 -7.097 -3.477 1.00 13.11 C ATOM 1296 C MET A 82 -11.029 -7.149 -3.482 1.00 31.54 C ATOM 1297 O MET A 82 -11.613 -8.216 -3.285 1.00 10.13 O ATOM 1298 CB MET A 82 -8.953 -7.415 -2.073 1.00 44.42 C ATOM 1299 CG MET A 82 -7.433 -7.534 -2.004 1.00 72.02 C ATOM 1300 SD MET A 82 -6.797 -8.917 -2.974 1.00 1.23 S ATOM 1301 CE MET A 82 -7.455 -10.320 -2.066 1.00 50.13 C ATOM 0 H MET A 82 -8.779 -5.140 -3.168 1.00 11.51 H new ATOM 0 HA MET A 82 -9.139 -7.849 -4.184 1.00 13.11 H new ATOM 0 HB2 MET A 82 -9.278 -6.634 -1.385 1.00 44.42 H new ATOM 0 HB3 MET A 82 -9.397 -8.349 -1.728 1.00 44.42 H new ATOM 0 HG2 MET A 82 -6.984 -6.608 -2.362 1.00 72.02 H new ATOM 0 HG3 MET A 82 -7.129 -7.655 -0.964 1.00 72.02 H new ATOM 0 HE1 MET A 82 -6.635 -10.961 -1.742 1.00 50.13 H new ATOM 0 HE2 MET A 82 -8.004 -9.964 -1.194 1.00 50.13 H new ATOM 0 HE3 MET A 82 -8.126 -10.888 -2.710 1.00 50.13 H new ATOM 1311 N GLN A 83 -11.678 -5.996 -3.700 1.00 31.52 N ATOM 1312 CA GLN A 83 -13.150 -5.915 -3.729 1.00 53.11 C ATOM 1313 C GLN A 83 -13.771 -6.558 -2.475 1.00 22.14 C ATOM 1314 O GLN A 83 -14.707 -7.359 -2.562 1.00 13.00 O ATOM 1315 CB GLN A 83 -13.691 -6.589 -5.002 1.00 21.25 C ATOM 1316 CG GLN A 83 -13.240 -5.913 -6.289 1.00 74.35 C ATOM 1317 CD GLN A 83 -13.676 -6.666 -7.534 1.00 33.32 C ATOM 1318 OE1 GLN A 83 -12.961 -7.529 -8.038 1.00 32.12 O ATOM 1319 NE2 GLN A 83 -14.857 -6.360 -8.029 1.00 13.04 N ATOM 0 H GLN A 83 -11.208 -5.105 -3.859 1.00 31.52 H new ATOM 0 HA GLN A 83 -13.432 -4.862 -3.737 1.00 53.11 H new ATOM 0 HB2 GLN A 83 -13.369 -7.630 -5.016 1.00 21.25 H new ATOM 0 HB3 GLN A 83 -14.780 -6.593 -4.966 1.00 21.25 H new ATOM 0 HG2 GLN A 83 -13.643 -4.901 -6.323 1.00 74.35 H new ATOM 0 HG3 GLN A 83 -12.154 -5.824 -6.286 1.00 74.35 H new ATOM 0 HE21 GLN A 83 -15.425 -5.638 -7.585 1.00 13.04 H new ATOM 0 HE22 GLN A 83 -15.204 -6.845 -8.856 1.00 13.04 H new ATOM 1328 N LYS A 84 -13.257 -6.177 -1.308 1.00 54.41 N ATOM 1329 CA LYS A 84 -13.611 -6.840 -0.047 1.00 5.52 C ATOM 1330 C LYS A 84 -14.237 -5.881 0.977 1.00 4.04 C ATOM 1331 O LYS A 84 -14.202 -4.661 0.808 1.00 0.00 O ATOM 1332 CB LYS A 84 -12.359 -7.475 0.566 1.00 61.54 C ATOM 1333 CG LYS A 84 -11.199 -6.493 0.733 1.00 54.23 C ATOM 1334 CD LYS A 84 -10.113 -7.045 1.647 1.00 12.53 C ATOM 1335 CE LYS A 84 -10.606 -7.171 3.083 1.00 63.25 C ATOM 1336 NZ LYS A 84 -9.568 -7.731 3.983 1.00 21.53 N ATOM 0 H LYS A 84 -12.592 -5.411 -1.205 1.00 54.41 H new ATOM 0 HA LYS A 84 -14.357 -7.598 -0.285 1.00 5.52 H new ATOM 0 HB2 LYS A 84 -12.613 -7.894 1.539 1.00 61.54 H new ATOM 0 HB3 LYS A 84 -12.036 -8.304 -0.064 1.00 61.54 H new ATOM 0 HG2 LYS A 84 -10.771 -6.268 -0.244 1.00 54.23 H new ATOM 0 HG3 LYS A 84 -11.574 -5.554 1.141 1.00 54.23 H new ATOM 0 HD2 LYS A 84 -9.791 -8.021 1.284 1.00 12.53 H new ATOM 0 HD3 LYS A 84 -9.242 -6.391 1.616 1.00 12.53 H new ATOM 0 HE2 LYS A 84 -10.911 -6.190 3.448 1.00 63.25 H new ATOM 0 HE3 LYS A 84 -11.489 -7.809 3.108 1.00 63.25 H new ATOM 0 HZ1 LYS A 84 -9.582 -7.220 4.889 1.00 21.53 H new ATOM 0 HZ2 LYS A 84 -9.761 -8.739 4.151 1.00 21.53 H new ATOM 0 HZ3 LYS A 84 -8.632 -7.627 3.541 1.00 21.53 H new ATOM 1350 N ASP A 85 -14.797 -6.463 2.041 1.00 25.21 N ATOM 1351 CA ASP A 85 -15.339 -5.713 3.186 1.00 12.25 C ATOM 1352 C ASP A 85 -16.589 -4.890 2.813 1.00 11.02 C ATOM 1353 O ASP A 85 -17.704 -5.227 3.218 1.00 72.20 O ATOM 1354 CB ASP A 85 -14.257 -4.812 3.798 1.00 20.22 C ATOM 1355 CG ASP A 85 -14.673 -4.238 5.139 1.00 14.23 C ATOM 1356 OD1 ASP A 85 -14.754 -5.012 6.115 1.00 22.52 O ATOM 1357 OD2 ASP A 85 -14.907 -3.014 5.231 1.00 13.12 O ATOM 0 H ASP A 85 -14.889 -7.474 2.136 1.00 25.21 H new ATOM 0 HA ASP A 85 -15.653 -6.445 3.930 1.00 12.25 H new ATOM 0 HB2 ASP A 85 -13.338 -5.385 3.920 1.00 20.22 H new ATOM 0 HB3 ASP A 85 -14.035 -3.996 3.110 1.00 20.22 H new ATOM 1362 N SER A 86 -16.402 -3.815 2.054 1.00 74.41 N ATOM 1363 CA SER A 86 -17.522 -2.961 1.621 1.00 3.32 C ATOM 1364 C SER A 86 -18.368 -3.644 0.530 1.00 42.15 C ATOM 1365 O SER A 86 -17.867 -3.803 -0.607 1.00 37.41 O ATOM 1366 CB SER A 86 -17.004 -1.603 1.119 1.00 24.15 C ATOM 1367 OG SER A 86 -16.090 -1.755 0.040 1.00 21.04 O ATOM 1368 OXT SER A 86 -19.530 -4.014 0.812 1.00 37.41 O ATOM 0 H SER A 86 -15.488 -3.508 1.722 1.00 74.41 H new ATOM 0 HA SER A 86 -18.163 -2.797 2.488 1.00 3.32 H new ATOM 0 HB2 SER A 86 -17.845 -0.988 0.799 1.00 24.15 H new ATOM 0 HB3 SER A 86 -16.516 -1.074 1.938 1.00 24.15 H new ATOM 0 HG SER A 86 -16.364 -2.514 -0.516 1.00 21.04 H new TER 1374 SER A 86