USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 880 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 89 THR OG1 : rot 123:sc= 0.301 USER MOD Set 1.2: A 91 ASN : amide:sc= 0.461 X(o=0.76,f=1.2) USER MOD Set 2.1: A 6 ASN : amide:sc= 0 X(o=1.3,f=0.96) USER MOD Set 2.2: A 36 THR OG1 : rot 49:sc= 1.27 USER MOD Set 3.1: A 11 CYS SG : rot 145:sc= 1.1 USER MOD Set 3.2: A 87 TYR OH : rot 43:sc= 1.24 USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.07 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl -177:sc= -1.14 (180deg=-1.19) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0454 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.0959 K(o=-0.096,f=-1.2!) USER MOD Single : A 34 ASN : amide:sc= -0.223 K(o=-0.22,f=-2.3!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 61 SER OG : rot 170:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.206 X(o=-0.21,f=-0.21) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 1:sc= -0.862 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.106 USER MOD Single : A 90 MET CE :methyl -135:sc= -2.57 (180deg=-5.31!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.0112 X(o=-0.011,f=0) USER MOD Single : A 101 ASN : amide:sc= -0.167 K(o=-0.17,f=-0.82) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 105 ASN : amide:sc= -0.0005 X(o=-0.0005,f=-0.02) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 63:sc= 0.0103 USER MOD Single : A 108 SER OG : rot -107:sc= 0.385 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.986 -16.148 -6.455 1.00 64.11 N ATOM 2 CA GLY A 1 13.814 -16.533 -7.217 1.00 54.41 C ATOM 3 C GLY A 1 12.585 -15.732 -6.834 1.00 74.12 C ATOM 4 O GLY A 1 12.570 -15.020 -5.829 1.00 73.12 O ATOM 0 H1 GLY A 1 15.680 -15.701 -7.088 1.00 64.11 H new ATOM 0 H2 GLY A 1 14.711 -15.474 -5.712 1.00 64.11 H new ATOM 0 H3 GLY A 1 15.409 -16.992 -6.018 1.00 64.11 H new ATOM 0 HA2 GLY A 1 14.015 -16.398 -8.280 1.00 54.41 H new ATOM 0 HA3 GLY A 1 13.616 -17.594 -7.062 1.00 54.41 H new ATOM 8 N PRO A 2 11.525 -15.841 -7.648 1.00 52.22 N ATOM 9 CA PRO A 2 10.266 -15.128 -7.409 1.00 42.42 C ATOM 10 C PRO A 2 9.514 -15.666 -6.197 1.00 5.52 C ATOM 11 O PRO A 2 10.036 -16.492 -5.448 1.00 75.11 O ATOM 12 CB PRO A 2 9.467 -15.380 -8.690 1.00 13.12 C ATOM 13 CG PRO A 2 10.014 -16.655 -9.233 1.00 21.43 C ATOM 14 CD PRO A 2 11.471 -16.671 -8.864 1.00 4.03 C ATOM 0 HA PRO A 2 10.431 -14.072 -7.194 1.00 42.42 H new ATOM 0 HB2 PRO A 2 8.400 -15.464 -8.481 1.00 13.12 H new ATOM 0 HB3 PRO A 2 9.589 -14.562 -9.400 1.00 13.12 H new ATOM 0 HG2 PRO A 2 9.495 -17.514 -8.809 1.00 21.43 H new ATOM 0 HG3 PRO A 2 9.885 -16.706 -10.314 1.00 21.43 H new ATOM 0 HD2 PRO A 2 11.826 -17.684 -8.675 1.00 4.03 H new ATOM 0 HD3 PRO A 2 12.091 -16.259 -9.660 1.00 4.03 H new ATOM 22 N GLY A 3 8.286 -15.193 -6.009 1.00 23.22 N ATOM 23 CA GLY A 3 7.483 -15.638 -4.886 1.00 22.42 C ATOM 24 C GLY A 3 7.361 -14.583 -3.805 1.00 53.53 C ATOM 25 O GLY A 3 7.216 -14.906 -2.626 1.00 51.10 O ATOM 0 H GLY A 3 7.833 -14.509 -6.615 1.00 23.22 H new ATOM 0 HA2 GLY A 3 6.488 -15.908 -5.240 1.00 22.42 H new ATOM 0 HA3 GLY A 3 7.926 -16.539 -4.461 1.00 22.42 H new ATOM 29 N SER A 4 7.421 -13.317 -4.207 1.00 3.10 N ATOM 30 CA SER A 4 7.322 -12.210 -3.263 1.00 21.41 C ATOM 31 C SER A 4 6.258 -11.211 -3.708 1.00 71.33 C ATOM 32 O SER A 4 6.114 -10.930 -4.897 1.00 41.01 O ATOM 33 CB SER A 4 8.674 -11.507 -3.126 1.00 14.53 C ATOM 34 OG SER A 4 8.865 -10.562 -4.166 1.00 35.31 O ATOM 0 H SER A 4 7.538 -13.033 -5.180 1.00 3.10 H new ATOM 0 HA SER A 4 7.032 -12.615 -2.294 1.00 21.41 H new ATOM 0 HB2 SER A 4 8.731 -11.006 -2.160 1.00 14.53 H new ATOM 0 HB3 SER A 4 9.475 -12.245 -3.149 1.00 14.53 H new ATOM 0 HG SER A 4 9.735 -10.125 -4.055 1.00 35.31 H new ATOM 40 N MET A 5 5.515 -10.679 -2.743 1.00 3.21 N ATOM 41 CA MET A 5 4.465 -9.710 -3.034 1.00 62.41 C ATOM 42 C MET A 5 5.022 -8.290 -3.045 1.00 24.43 C ATOM 43 O MET A 5 5.968 -7.980 -2.323 1.00 30.23 O ATOM 44 CB MET A 5 3.340 -9.820 -2.004 1.00 71.32 C ATOM 45 CG MET A 5 1.968 -9.478 -2.563 1.00 41.24 C ATOM 46 SD MET A 5 1.267 -7.993 -1.820 1.00 2.44 S ATOM 47 CE MET A 5 1.091 -8.516 -0.117 1.00 33.13 C ATOM 0 H MET A 5 5.621 -10.902 -1.753 1.00 3.21 H new ATOM 0 HA MET A 5 4.065 -9.932 -4.024 1.00 62.41 H new ATOM 0 HB2 MET A 5 3.319 -10.835 -1.608 1.00 71.32 H new ATOM 0 HB3 MET A 5 3.558 -9.156 -1.168 1.00 71.32 H new ATOM 0 HG2 MET A 5 2.044 -9.339 -3.641 1.00 41.24 H new ATOM 0 HG3 MET A 5 1.292 -10.317 -2.396 1.00 41.24 H new ATOM 0 HE1 MET A 5 0.619 -7.721 0.461 1.00 33.13 H new ATOM 0 HE2 MET A 5 0.473 -9.413 -0.074 1.00 33.13 H new ATOM 0 HE3 MET A 5 2.074 -8.733 0.301 1.00 33.13 H new ATOM 57 N ASN A 6 4.430 -7.433 -3.870 1.00 50.31 N ATOM 58 CA ASN A 6 4.869 -6.046 -3.975 1.00 62.00 C ATOM 59 C ASN A 6 3.750 -5.089 -3.574 1.00 70.05 C ATOM 60 O ASN A 6 2.745 -4.966 -4.274 1.00 75.34 O ATOM 61 CB ASN A 6 5.330 -5.742 -5.402 1.00 0.33 C ATOM 62 CG ASN A 6 6.532 -6.570 -5.811 1.00 72.41 C ATOM 63 OD1 ASN A 6 6.394 -7.596 -6.478 1.00 45.21 O ATOM 64 ND2 ASN A 6 7.718 -6.128 -5.411 1.00 62.23 N ATOM 0 H ASN A 6 3.645 -7.674 -4.475 1.00 50.31 H new ATOM 0 HA ASN A 6 5.706 -5.903 -3.292 1.00 62.00 H new ATOM 0 HB2 ASN A 6 4.509 -5.932 -6.094 1.00 0.33 H new ATOM 0 HB3 ASN A 6 5.577 -4.683 -5.483 1.00 0.33 H new ATOM 0 HD21 ASN A 6 8.563 -6.644 -5.655 1.00 62.23 H new ATOM 0 HD22 ASN A 6 7.784 -5.272 -4.860 1.00 62.23 H new ATOM 71 N ILE A 7 3.932 -4.414 -2.445 1.00 70.23 N ATOM 72 CA ILE A 7 2.939 -3.467 -1.953 1.00 44.00 C ATOM 73 C ILE A 7 3.257 -2.048 -2.413 1.00 34.03 C ATOM 74 O ILE A 7 4.370 -1.558 -2.223 1.00 4.50 O ATOM 75 CB ILE A 7 2.853 -3.490 -0.416 1.00 11.34 C ATOM 76 CG1 ILE A 7 2.522 -4.900 0.079 1.00 64.13 C ATOM 77 CG2 ILE A 7 1.811 -2.494 0.072 1.00 71.10 C ATOM 78 CD1 ILE A 7 3.704 -5.617 0.695 1.00 15.51 C ATOM 0 H ILE A 7 4.758 -4.505 -1.853 1.00 70.23 H new ATOM 0 HA ILE A 7 1.978 -3.773 -2.367 1.00 44.00 H new ATOM 0 HB ILE A 7 3.822 -3.201 -0.010 1.00 11.34 H new ATOM 0 HG12 ILE A 7 1.720 -4.839 0.815 1.00 64.13 H new ATOM 0 HG13 ILE A 7 2.144 -5.490 -0.756 1.00 64.13 H new ATOM 0 HG21 ILE A 7 1.762 -2.522 1.161 1.00 71.10 H new ATOM 0 HG22 ILE A 7 2.086 -1.491 -0.253 1.00 71.10 H new ATOM 0 HG23 ILE A 7 0.837 -2.755 -0.342 1.00 71.10 H new ATOM 0 HD11 ILE A 7 3.396 -6.610 1.023 1.00 15.51 H new ATOM 0 HD12 ILE A 7 4.499 -5.710 -0.045 1.00 15.51 H new ATOM 0 HD13 ILE A 7 4.069 -5.049 1.551 1.00 15.51 H new ATOM 90 N LEU A 8 2.271 -1.393 -3.015 1.00 74.21 N ATOM 91 CA LEU A 8 2.444 -0.028 -3.501 1.00 31.23 C ATOM 92 C LEU A 8 1.835 0.977 -2.528 1.00 23.41 C ATOM 93 O LEU A 8 0.700 0.814 -2.080 1.00 34.12 O ATOM 94 CB LEU A 8 1.803 0.128 -4.881 1.00 4.51 C ATOM 95 CG LEU A 8 2.326 1.283 -5.736 1.00 71.33 C ATOM 96 CD1 LEU A 8 1.944 2.619 -5.121 1.00 11.32 C ATOM 97 CD2 LEU A 8 3.835 1.182 -5.903 1.00 10.24 C ATOM 0 H LEU A 8 1.343 -1.784 -3.179 1.00 74.21 H new ATOM 0 HA LEU A 8 3.513 0.171 -3.579 1.00 31.23 H new ATOM 0 HB2 LEU A 8 1.946 -0.801 -5.433 1.00 4.51 H new ATOM 0 HB3 LEU A 8 0.729 0.258 -4.748 1.00 4.51 H new ATOM 0 HG LEU A 8 1.866 1.217 -6.722 1.00 71.33 H new ATOM 0 HD11 LEU A 8 2.325 3.428 -5.744 1.00 11.32 H new ATOM 0 HD12 LEU A 8 0.858 2.692 -5.055 1.00 11.32 H new ATOM 0 HD13 LEU A 8 2.374 2.696 -4.122 1.00 11.32 H new ATOM 0 HD21 LEU A 8 4.190 2.012 -6.514 1.00 10.24 H new ATOM 0 HD22 LEU A 8 4.313 1.222 -4.924 1.00 10.24 H new ATOM 0 HD23 LEU A 8 4.085 0.240 -6.391 1.00 10.24 H new ATOM 109 N LEU A 9 2.598 2.016 -2.206 1.00 53.11 N ATOM 110 CA LEU A 9 2.133 3.050 -1.288 1.00 51.23 C ATOM 111 C LEU A 9 2.099 4.412 -1.974 1.00 2.30 C ATOM 112 O LEU A 9 2.996 4.753 -2.745 1.00 51.24 O ATOM 113 CB LEU A 9 3.037 3.109 -0.056 1.00 0.41 C ATOM 114 CG LEU A 9 2.545 3.987 1.096 1.00 71.01 C ATOM 115 CD1 LEU A 9 2.796 5.456 0.793 1.00 23.54 C ATOM 116 CD2 LEU A 9 1.067 3.740 1.361 1.00 74.25 C ATOM 0 H LEU A 9 3.540 2.165 -2.567 1.00 53.11 H new ATOM 0 HA LEU A 9 1.120 2.796 -0.976 1.00 51.23 H new ATOM 0 HB2 LEU A 9 3.173 2.095 0.319 1.00 0.41 H new ATOM 0 HB3 LEU A 9 4.018 3.468 -0.367 1.00 0.41 H new ATOM 0 HG LEU A 9 3.104 3.722 1.994 1.00 71.01 H new ATOM 0 HD11 LEU A 9 2.439 6.065 1.624 1.00 23.54 H new ATOM 0 HD12 LEU A 9 3.864 5.621 0.654 1.00 23.54 H new ATOM 0 HD13 LEU A 9 2.264 5.736 -0.116 1.00 23.54 H new ATOM 0 HD21 LEU A 9 0.734 4.373 2.184 1.00 74.25 H new ATOM 0 HD22 LEU A 9 0.492 3.977 0.466 1.00 74.25 H new ATOM 0 HD23 LEU A 9 0.914 2.693 1.624 1.00 74.25 H new ATOM 128 N VAL A 10 1.060 5.189 -1.686 1.00 20.31 N ATOM 129 CA VAL A 10 0.911 6.516 -2.272 1.00 22.42 C ATOM 130 C VAL A 10 0.741 7.578 -1.191 1.00 41.23 C ATOM 131 O VAL A 10 -0.202 7.528 -0.400 1.00 64.15 O ATOM 132 CB VAL A 10 -0.295 6.574 -3.228 1.00 50.44 C ATOM 133 CG1 VAL A 10 -0.358 7.925 -3.927 1.00 23.44 C ATOM 134 CG2 VAL A 10 -0.225 5.444 -4.242 1.00 70.22 C ATOM 0 H VAL A 10 0.308 4.922 -1.050 1.00 20.31 H new ATOM 0 HA VAL A 10 1.822 6.718 -2.835 1.00 22.42 H new ATOM 0 HB VAL A 10 -1.206 6.451 -2.643 1.00 50.44 H new ATOM 0 HG11 VAL A 10 -1.216 7.948 -4.598 1.00 23.44 H new ATOM 0 HG12 VAL A 10 -0.458 8.715 -3.183 1.00 23.44 H new ATOM 0 HG13 VAL A 10 0.556 8.081 -4.501 1.00 23.44 H new ATOM 0 HG21 VAL A 10 -1.085 5.500 -4.909 1.00 70.22 H new ATOM 0 HG22 VAL A 10 0.692 5.534 -4.824 1.00 70.22 H new ATOM 0 HG23 VAL A 10 -0.232 4.487 -3.721 1.00 70.22 H new ATOM 144 N CYS A 11 1.658 8.538 -1.164 1.00 43.11 N ATOM 145 CA CYS A 11 1.611 9.613 -0.179 1.00 51.14 C ATOM 146 C CYS A 11 2.553 10.748 -0.567 1.00 73.23 C ATOM 147 O CYS A 11 3.601 10.520 -1.171 1.00 74.01 O ATOM 148 CB CYS A 11 1.977 9.081 1.206 1.00 31.25 C ATOM 149 SG CYS A 11 1.786 10.291 2.537 1.00 73.24 S ATOM 0 H CYS A 11 2.443 8.594 -1.813 1.00 43.11 H new ATOM 0 HA CYS A 11 0.594 10.003 -0.152 1.00 51.14 H new ATOM 0 HB2 CYS A 11 1.355 8.214 1.426 1.00 31.25 H new ATOM 0 HB3 CYS A 11 3.011 8.736 1.189 1.00 31.25 H new ATOM 0 HG CYS A 11 1.386 9.688 3.617 1.00 73.24 H new ATOM 155 N GLY A 12 2.172 11.973 -0.219 1.00 1.14 N ATOM 156 CA GLY A 12 2.993 13.125 -0.540 1.00 50.30 C ATOM 157 C GLY A 12 4.314 13.122 0.204 1.00 1.23 C ATOM 158 O GLY A 12 4.412 13.655 1.309 1.00 51.31 O ATOM 0 H GLY A 12 1.309 12.188 0.280 1.00 1.14 H new ATOM 0 HA2 GLY A 12 3.184 13.143 -1.613 1.00 50.30 H new ATOM 0 HA3 GLY A 12 2.446 14.036 -0.298 1.00 50.30 H new ATOM 162 N ALA A 13 5.332 12.519 -0.401 1.00 34.43 N ATOM 163 CA ALA A 13 6.652 12.448 0.212 1.00 1.30 C ATOM 164 C ALA A 13 7.387 13.779 0.085 1.00 22.55 C ATOM 165 O ALA A 13 7.011 14.633 -0.716 1.00 31.04 O ATOM 166 CB ALA A 13 7.467 11.330 -0.420 1.00 25.14 C ATOM 0 H ALA A 13 5.267 12.072 -1.316 1.00 34.43 H new ATOM 0 HA ALA A 13 6.523 12.233 1.273 1.00 1.30 H new ATOM 0 HB1 ALA A 13 8.451 11.288 0.047 1.00 25.14 H new ATOM 0 HB2 ALA A 13 6.955 10.379 -0.274 1.00 25.14 H new ATOM 0 HB3 ALA A 13 7.580 11.521 -1.487 1.00 25.14 H new ATOM 172 N GLY A 14 8.438 13.947 0.883 1.00 13.33 N ATOM 173 CA GLY A 14 9.208 15.177 0.845 1.00 33.13 C ATOM 174 C GLY A 14 10.669 14.956 1.182 1.00 14.45 C ATOM 175 O GLY A 14 11.169 15.481 2.177 1.00 53.42 O ATOM 0 H GLY A 14 8.769 13.254 1.554 1.00 13.33 H new ATOM 0 HA2 GLY A 14 9.130 15.620 -0.148 1.00 33.13 H new ATOM 0 HA3 GLY A 14 8.780 15.892 1.548 1.00 33.13 H new ATOM 179 N MET A 15 11.354 14.175 0.354 1.00 1.22 N ATOM 180 CA MET A 15 12.767 13.886 0.571 1.00 24.41 C ATOM 181 C MET A 15 12.973 13.137 1.884 1.00 25.35 C ATOM 182 O MET A 15 12.058 13.031 2.700 1.00 34.42 O ATOM 183 CB MET A 15 13.580 15.181 0.577 1.00 44.03 C ATOM 184 CG MET A 15 14.588 15.271 -0.558 1.00 34.41 C ATOM 185 SD MET A 15 13.938 16.142 -1.997 1.00 34.40 S ATOM 186 CE MET A 15 14.851 15.347 -3.316 1.00 24.33 C ATOM 0 H MET A 15 10.954 13.731 -0.473 1.00 1.22 H new ATOM 0 HA MET A 15 13.112 13.253 -0.247 1.00 24.41 H new ATOM 0 HB2 MET A 15 12.898 16.029 0.514 1.00 44.03 H new ATOM 0 HB3 MET A 15 14.107 15.265 1.527 1.00 44.03 H new ATOM 0 HG2 MET A 15 15.484 15.781 -0.204 1.00 34.41 H new ATOM 0 HG3 MET A 15 14.889 14.265 -0.852 1.00 34.41 H new ATOM 0 HE1 MET A 15 14.558 15.779 -4.273 1.00 24.33 H new ATOM 0 HE2 MET A 15 15.919 15.498 -3.161 1.00 24.33 H new ATOM 0 HE3 MET A 15 14.632 14.279 -3.318 1.00 24.33 H new ATOM 196 N SER A 16 14.182 12.619 2.082 1.00 32.31 N ATOM 197 CA SER A 16 14.507 11.877 3.294 1.00 33.04 C ATOM 198 C SER A 16 13.656 10.614 3.403 1.00 51.43 C ATOM 199 O SER A 16 12.674 10.448 2.679 1.00 64.05 O ATOM 200 CB SER A 16 14.294 12.756 4.528 1.00 34.30 C ATOM 201 OG SER A 16 15.504 12.934 5.242 1.00 41.42 O ATOM 0 H SER A 16 14.952 12.700 1.418 1.00 32.31 H new ATOM 0 HA SER A 16 15.556 11.585 3.241 1.00 33.04 H new ATOM 0 HB2 SER A 16 13.902 13.726 4.224 1.00 34.30 H new ATOM 0 HB3 SER A 16 13.548 12.300 5.179 1.00 34.30 H new ATOM 0 HG SER A 16 15.342 13.501 6.025 1.00 41.42 H new ATOM 207 N THR A 17 14.042 9.725 4.312 1.00 34.13 N ATOM 208 CA THR A 17 13.317 8.477 4.515 1.00 24.35 C ATOM 209 C THR A 17 11.953 8.730 5.148 1.00 23.51 C ATOM 210 O THR A 17 11.722 9.779 5.749 1.00 74.14 O ATOM 211 CB THR A 17 14.112 7.505 5.408 1.00 22.41 C ATOM 212 OG1 THR A 17 13.460 6.231 5.447 1.00 20.31 O ATOM 213 CG2 THR A 17 14.248 8.054 6.820 1.00 30.02 C ATOM 0 H THR A 17 14.852 9.846 4.919 1.00 34.13 H new ATOM 0 HA THR A 17 13.180 8.027 3.532 1.00 24.35 H new ATOM 0 HB THR A 17 15.109 7.390 4.983 1.00 22.41 H new ATOM 0 HG1 THR A 17 13.972 5.619 6.015 1.00 20.31 H new ATOM 0 HG21 THR A 17 14.813 7.350 7.431 1.00 30.02 H new ATOM 0 HG22 THR A 17 14.771 9.010 6.790 1.00 30.02 H new ATOM 0 HG23 THR A 17 13.257 8.196 7.252 1.00 30.02 H new ATOM 221 N SER A 18 11.054 7.761 5.011 1.00 34.41 N ATOM 222 CA SER A 18 9.711 7.880 5.567 1.00 71.53 C ATOM 223 C SER A 18 9.521 6.921 6.738 1.00 63.52 C ATOM 224 O SER A 18 9.870 5.743 6.654 1.00 40.44 O ATOM 225 CB SER A 18 8.663 7.599 4.488 1.00 21.00 C ATOM 226 OG SER A 18 8.202 8.802 3.900 1.00 53.53 O ATOM 0 H SER A 18 11.231 6.885 4.520 1.00 34.41 H new ATOM 0 HA SER A 18 9.584 8.900 5.931 1.00 71.53 H new ATOM 0 HB2 SER A 18 9.091 6.956 3.719 1.00 21.00 H new ATOM 0 HB3 SER A 18 7.823 7.059 4.924 1.00 21.00 H new ATOM 0 HG SER A 18 7.535 8.595 3.213 1.00 53.53 H new ATOM 232 N MET A 19 8.965 7.434 7.831 1.00 55.24 N ATOM 233 CA MET A 19 8.727 6.624 9.019 1.00 64.50 C ATOM 234 C MET A 19 7.914 5.380 8.676 1.00 72.12 C ATOM 235 O MET A 19 8.202 4.284 9.159 1.00 61.30 O ATOM 236 CB MET A 19 7.998 7.444 10.085 1.00 3.42 C ATOM 237 CG MET A 19 8.710 8.737 10.448 1.00 2.52 C ATOM 238 SD MET A 19 7.823 10.202 9.880 1.00 3.24 S ATOM 239 CE MET A 19 8.720 11.494 10.738 1.00 74.15 C ATOM 0 H MET A 19 8.671 8.407 7.918 1.00 55.24 H new ATOM 0 HA MET A 19 9.694 6.308 9.411 1.00 64.50 H new ATOM 0 HB2 MET A 19 6.995 7.679 9.729 1.00 3.42 H new ATOM 0 HB3 MET A 19 7.883 6.837 10.983 1.00 3.42 H new ATOM 0 HG2 MET A 19 8.833 8.788 11.530 1.00 2.52 H new ATOM 0 HG3 MET A 19 9.710 8.731 10.014 1.00 2.52 H new ATOM 0 HE1 MET A 19 8.289 12.464 10.488 1.00 74.15 H new ATOM 0 HE2 MET A 19 8.651 11.332 11.814 1.00 74.15 H new ATOM 0 HE3 MET A 19 9.767 11.473 10.435 1.00 74.15 H new ATOM 249 N LEU A 20 6.897 5.556 7.839 1.00 64.54 N ATOM 250 CA LEU A 20 6.042 4.446 7.431 1.00 51.31 C ATOM 251 C LEU A 20 6.872 3.298 6.864 1.00 11.42 C ATOM 252 O LEU A 20 6.977 2.234 7.475 1.00 73.21 O ATOM 253 CB LEU A 20 5.026 4.918 6.389 1.00 35.51 C ATOM 254 CG LEU A 20 3.704 5.455 6.937 1.00 13.22 C ATOM 255 CD1 LEU A 20 2.893 4.336 7.572 1.00 4.02 C ATOM 256 CD2 LEU A 20 3.957 6.569 7.944 1.00 52.12 C ATOM 0 H LEU A 20 6.644 6.456 7.430 1.00 64.54 H new ATOM 0 HA LEU A 20 5.511 4.085 8.312 1.00 51.31 H new ATOM 0 HB2 LEU A 20 5.490 5.698 5.786 1.00 35.51 H new ATOM 0 HB3 LEU A 20 4.808 4.085 5.720 1.00 35.51 H new ATOM 0 HG LEU A 20 3.130 5.865 6.106 1.00 13.22 H new ATOM 0 HD11 LEU A 20 1.956 4.739 7.956 1.00 4.02 H new ATOM 0 HD12 LEU A 20 2.680 3.572 6.825 1.00 4.02 H new ATOM 0 HD13 LEU A 20 3.461 3.895 8.391 1.00 4.02 H new ATOM 0 HD21 LEU A 20 3.005 6.939 8.324 1.00 52.12 H new ATOM 0 HD22 LEU A 20 4.552 6.183 8.772 1.00 52.12 H new ATOM 0 HD23 LEU A 20 4.495 7.383 7.458 1.00 52.12 H new ATOM 268 N VAL A 21 7.463 3.522 5.695 1.00 12.31 N ATOM 269 CA VAL A 21 8.286 2.508 5.048 1.00 64.20 C ATOM 270 C VAL A 21 9.347 1.971 6.003 1.00 51.24 C ATOM 271 O VAL A 21 9.686 0.788 5.967 1.00 13.32 O ATOM 272 CB VAL A 21 8.979 3.066 3.790 1.00 34.31 C ATOM 273 CG1 VAL A 21 9.796 4.303 4.134 1.00 32.43 C ATOM 274 CG2 VAL A 21 9.854 2.000 3.148 1.00 51.53 C ATOM 0 H VAL A 21 7.387 4.397 5.177 1.00 12.31 H new ATOM 0 HA VAL A 21 7.619 1.697 4.757 1.00 64.20 H new ATOM 0 HB VAL A 21 8.212 3.356 3.072 1.00 34.31 H new ATOM 0 HG11 VAL A 21 10.278 4.683 3.233 1.00 32.43 H new ATOM 0 HG12 VAL A 21 9.140 5.070 4.545 1.00 32.43 H new ATOM 0 HG13 VAL A 21 10.557 4.044 4.870 1.00 32.43 H new ATOM 0 HG21 VAL A 21 10.336 2.411 2.261 1.00 51.53 H new ATOM 0 HG22 VAL A 21 10.615 1.678 3.858 1.00 51.53 H new ATOM 0 HG23 VAL A 21 9.238 1.146 2.864 1.00 51.53 H new ATOM 284 N GLN A 22 9.868 2.848 6.854 1.00 1.33 N ATOM 285 CA GLN A 22 10.891 2.462 7.819 1.00 73.41 C ATOM 286 C GLN A 22 10.392 1.336 8.719 1.00 0.11 C ATOM 287 O GLN A 22 11.004 0.271 8.796 1.00 24.31 O ATOM 288 CB GLN A 22 11.302 3.665 8.667 1.00 5.52 C ATOM 289 CG GLN A 22 12.639 4.266 8.263 1.00 52.23 C ATOM 290 CD GLN A 22 13.732 3.997 9.278 1.00 0.43 C ATOM 291 OE1 GLN A 22 13.693 4.505 10.399 1.00 52.33 O ATOM 292 NE2 GLN A 22 14.716 3.195 8.890 1.00 74.52 N ATOM 0 H GLN A 22 9.599 3.831 6.895 1.00 1.33 H new ATOM 0 HA GLN A 22 11.759 2.103 7.267 1.00 73.41 H new ATOM 0 HB2 GLN A 22 10.531 4.432 8.593 1.00 5.52 H new ATOM 0 HB3 GLN A 22 11.350 3.362 9.713 1.00 5.52 H new ATOM 0 HG2 GLN A 22 12.938 3.860 7.297 1.00 52.23 H new ATOM 0 HG3 GLN A 22 12.525 5.342 8.135 1.00 52.23 H new ATOM 0 HE21 GLN A 22 14.708 2.796 7.951 1.00 74.52 H new ATOM 0 HE22 GLN A 22 15.480 2.978 9.530 1.00 74.52 H new ATOM 301 N ARG A 23 9.277 1.580 9.400 1.00 13.33 N ATOM 302 CA ARG A 23 8.696 0.587 10.297 1.00 4.43 C ATOM 303 C ARG A 23 8.327 -0.682 9.537 1.00 60.52 C ATOM 304 O ARG A 23 8.606 -1.793 9.990 1.00 2.32 O ATOM 305 CB ARG A 23 7.459 1.158 10.990 1.00 32.15 C ATOM 306 CG ARG A 23 7.728 2.440 11.761 1.00 42.54 C ATOM 307 CD ARG A 23 7.475 2.260 13.250 1.00 44.24 C ATOM 308 NE ARG A 23 8.458 1.374 13.868 1.00 41.12 N ATOM 309 CZ ARG A 23 8.591 1.228 15.181 1.00 0.34 C ATOM 310 NH1 ARG A 23 7.808 1.906 16.010 1.00 21.34 N ATOM 311 NH2 ARG A 23 9.508 0.403 15.669 1.00 23.12 N ATOM 0 H ARG A 23 8.758 2.456 9.348 1.00 13.33 H new ATOM 0 HA ARG A 23 9.442 0.334 11.051 1.00 4.43 H new ATOM 0 HB2 ARG A 23 6.690 1.349 10.242 1.00 32.15 H new ATOM 0 HB3 ARG A 23 7.059 0.410 11.674 1.00 32.15 H new ATOM 0 HG2 ARG A 23 8.760 2.752 11.602 1.00 42.54 H new ATOM 0 HG3 ARG A 23 7.091 3.237 11.377 1.00 42.54 H new ATOM 0 HD2 ARG A 23 7.502 3.232 13.743 1.00 44.24 H new ATOM 0 HD3 ARG A 23 6.475 1.854 13.401 1.00 44.24 H new ATOM 0 HE ARG A 23 9.076 0.838 13.258 1.00 41.12 H new ATOM 0 HH11 ARG A 23 7.102 2.541 15.639 1.00 21.34 H new ATOM 0 HH12 ARG A 23 7.912 1.792 17.018 1.00 21.34 H new ATOM 0 HH21 ARG A 23 10.112 -0.120 15.035 1.00 23.12 H new ATOM 0 HH22 ARG A 23 9.609 0.292 16.678 1.00 23.12 H new ATOM 325 N ILE A 24 7.697 -0.511 8.379 1.00 0.41 N ATOM 326 CA ILE A 24 7.291 -1.642 7.556 1.00 33.14 C ATOM 327 C ILE A 24 8.482 -2.529 7.213 1.00 73.54 C ATOM 328 O ILE A 24 8.462 -3.735 7.459 1.00 60.21 O ATOM 329 CB ILE A 24 6.619 -1.177 6.250 1.00 11.52 C ATOM 330 CG1 ILE A 24 5.397 -0.310 6.561 1.00 33.04 C ATOM 331 CG2 ILE A 24 6.223 -2.375 5.402 1.00 74.42 C ATOM 332 CD1 ILE A 24 4.943 0.536 5.392 1.00 10.54 C ATOM 0 H ILE A 24 7.457 0.401 7.990 1.00 0.41 H new ATOM 0 HA ILE A 24 6.571 -2.214 8.141 1.00 33.14 H new ATOM 0 HB ILE A 24 7.333 -0.577 5.685 1.00 11.52 H new ATOM 0 HG12 ILE A 24 4.575 -0.954 6.874 1.00 33.04 H new ATOM 0 HG13 ILE A 24 5.629 0.342 7.403 1.00 33.04 H new ATOM 0 HG21 ILE A 24 5.750 -2.030 4.483 1.00 74.42 H new ATOM 0 HG22 ILE A 24 7.112 -2.956 5.156 1.00 74.42 H new ATOM 0 HG23 ILE A 24 5.523 -2.999 5.958 1.00 74.42 H new ATOM 0 HD11 ILE A 24 4.073 1.124 5.685 1.00 10.54 H new ATOM 0 HD12 ILE A 24 5.749 1.205 5.092 1.00 10.54 H new ATOM 0 HD13 ILE A 24 4.679 -0.111 4.556 1.00 10.54 H new ATOM 344 N GLU A 25 9.520 -1.923 6.644 1.00 21.04 N ATOM 345 CA GLU A 25 10.722 -2.659 6.269 1.00 51.34 C ATOM 346 C GLU A 25 11.343 -3.343 7.483 1.00 62.30 C ATOM 347 O GLU A 25 11.781 -4.491 7.408 1.00 63.42 O ATOM 348 CB GLU A 25 11.741 -1.718 5.623 1.00 75.43 C ATOM 349 CG GLU A 25 11.490 -1.472 4.144 1.00 22.52 C ATOM 350 CD GLU A 25 12.750 -1.594 3.311 1.00 64.53 C ATOM 351 OE1 GLU A 25 13.599 -0.680 3.381 1.00 14.44 O ATOM 352 OE2 GLU A 25 12.889 -2.603 2.587 1.00 44.31 O ATOM 0 H GLU A 25 9.553 -0.926 6.433 1.00 21.04 H new ATOM 0 HA GLU A 25 10.438 -3.426 5.548 1.00 51.34 H new ATOM 0 HB2 GLU A 25 11.726 -0.764 6.149 1.00 75.43 H new ATOM 0 HB3 GLU A 25 12.740 -2.136 5.749 1.00 75.43 H new ATOM 0 HG2 GLU A 25 10.749 -2.184 3.782 1.00 22.52 H new ATOM 0 HG3 GLU A 25 11.066 -0.476 4.012 1.00 22.52 H new ATOM 359 N LYS A 26 11.377 -2.630 8.604 1.00 43.50 N ATOM 360 CA LYS A 26 11.944 -3.165 9.836 1.00 60.23 C ATOM 361 C LYS A 26 11.196 -4.419 10.278 1.00 5.11 C ATOM 362 O LYS A 26 11.791 -5.486 10.428 1.00 25.45 O ATOM 363 CB LYS A 26 11.895 -2.111 10.944 1.00 13.04 C ATOM 364 CG LYS A 26 13.243 -1.478 11.242 1.00 12.45 C ATOM 365 CD LYS A 26 14.110 -2.388 12.096 1.00 45.54 C ATOM 366 CE LYS A 26 15.515 -1.828 12.257 1.00 73.03 C ATOM 367 NZ LYS A 26 15.750 -1.306 13.631 1.00 5.32 N ATOM 0 H LYS A 26 11.018 -1.679 8.684 1.00 43.50 H new ATOM 0 HA LYS A 26 12.983 -3.432 9.643 1.00 60.23 H new ATOM 0 HB2 LYS A 26 11.191 -1.329 10.659 1.00 13.04 H new ATOM 0 HB3 LYS A 26 11.510 -2.571 11.854 1.00 13.04 H new ATOM 0 HG2 LYS A 26 13.757 -1.257 10.307 1.00 12.45 H new ATOM 0 HG3 LYS A 26 13.094 -0.528 11.756 1.00 12.45 H new ATOM 0 HD2 LYS A 26 13.652 -2.513 13.077 1.00 45.54 H new ATOM 0 HD3 LYS A 26 14.161 -3.377 11.640 1.00 45.54 H new ATOM 0 HE2 LYS A 26 16.244 -2.607 12.035 1.00 73.03 H new ATOM 0 HE3 LYS A 26 15.672 -1.029 11.533 1.00 73.03 H new ATOM 0 HZ1 LYS A 26 16.719 -0.933 13.700 1.00 5.32 H new ATOM 0 HZ2 LYS A 26 15.071 -0.545 13.834 1.00 5.32 H new ATOM 0 HZ3 LYS A 26 15.625 -2.075 14.320 1.00 5.32 H new ATOM 381 N TYR A 27 9.891 -4.284 10.481 1.00 1.55 N ATOM 382 CA TYR A 27 9.064 -5.406 10.907 1.00 14.30 C ATOM 383 C TYR A 27 9.248 -6.602 9.979 1.00 61.10 C ATOM 384 O TYR A 27 9.554 -7.707 10.426 1.00 40.31 O ATOM 385 CB TYR A 27 7.590 -4.995 10.941 1.00 31.32 C ATOM 386 CG TYR A 27 6.645 -6.152 11.175 1.00 3.02 C ATOM 387 CD1 TYR A 27 6.154 -6.899 10.113 1.00 73.34 C ATOM 388 CD2 TYR A 27 6.244 -6.498 12.460 1.00 0.20 C ATOM 389 CE1 TYR A 27 5.289 -7.957 10.321 1.00 3.43 C ATOM 390 CE2 TYR A 27 5.381 -7.554 12.678 1.00 21.43 C ATOM 391 CZ TYR A 27 4.906 -8.280 11.606 1.00 22.43 C ATOM 392 OH TYR A 27 4.046 -9.333 11.818 1.00 5.14 O ATOM 0 H TYR A 27 9.383 -3.408 10.357 1.00 1.55 H new ATOM 0 HA TYR A 27 9.378 -5.696 11.910 1.00 14.30 H new ATOM 0 HB2 TYR A 27 7.446 -4.254 11.727 1.00 31.32 H new ATOM 0 HB3 TYR A 27 7.334 -4.512 9.998 1.00 31.32 H new ATOM 0 HD1 TYR A 27 6.453 -6.649 9.106 1.00 73.34 H new ATOM 0 HD2 TYR A 27 6.613 -5.932 13.302 1.00 0.20 H new ATOM 0 HE1 TYR A 27 4.916 -8.527 9.483 1.00 3.43 H new ATOM 0 HE2 TYR A 27 5.080 -7.810 13.683 1.00 21.43 H new ATOM 0 HH TYR A 27 3.877 -9.429 12.779 1.00 5.14 H new ATOM 402 N ALA A 28 9.061 -6.371 8.683 1.00 32.43 N ATOM 403 CA ALA A 28 9.210 -7.428 7.691 1.00 43.11 C ATOM 404 C ALA A 28 10.597 -8.057 7.761 1.00 4.12 C ATOM 405 O ALA A 28 10.735 -9.280 7.816 1.00 12.55 O ATOM 406 CB ALA A 28 8.947 -6.882 6.295 1.00 73.12 C ATOM 0 H ALA A 28 8.806 -5.462 8.297 1.00 32.43 H new ATOM 0 HA ALA A 28 8.477 -8.204 7.911 1.00 43.11 H new ATOM 0 HB1 ALA A 28 9.062 -7.682 5.564 1.00 73.12 H new ATOM 0 HB2 ALA A 28 7.933 -6.487 6.244 1.00 73.12 H new ATOM 0 HB3 ALA A 28 9.658 -6.086 6.076 1.00 73.12 H new ATOM 412 N LYS A 29 11.624 -7.214 7.759 1.00 42.04 N ATOM 413 CA LYS A 29 13.003 -7.687 7.823 1.00 54.52 C ATOM 414 C LYS A 29 13.256 -8.450 9.119 1.00 71.51 C ATOM 415 O LYS A 29 14.139 -9.305 9.184 1.00 60.45 O ATOM 416 CB LYS A 29 13.973 -6.508 7.715 1.00 72.13 C ATOM 417 CG LYS A 29 14.224 -6.056 6.287 1.00 45.14 C ATOM 418 CD LYS A 29 15.187 -6.986 5.569 1.00 53.14 C ATOM 419 CE LYS A 29 15.765 -6.336 4.321 1.00 0.31 C ATOM 420 NZ LYS A 29 17.119 -5.768 4.569 1.00 23.22 N ATOM 0 H LYS A 29 11.528 -6.200 7.714 1.00 42.04 H new ATOM 0 HA LYS A 29 13.169 -8.364 6.985 1.00 54.52 H new ATOM 0 HB2 LYS A 29 13.578 -5.670 8.288 1.00 72.13 H new ATOM 0 HB3 LYS A 29 14.923 -6.787 8.171 1.00 72.13 H new ATOM 0 HG2 LYS A 29 13.279 -6.020 5.745 1.00 45.14 H new ATOM 0 HG3 LYS A 29 14.629 -5.044 6.291 1.00 45.14 H new ATOM 0 HD2 LYS A 29 15.997 -7.264 6.244 1.00 53.14 H new ATOM 0 HD3 LYS A 29 14.670 -7.906 5.295 1.00 53.14 H new ATOM 0 HE2 LYS A 29 15.821 -7.073 3.520 1.00 0.31 H new ATOM 0 HE3 LYS A 29 15.096 -5.546 3.980 1.00 0.31 H new ATOM 0 HZ1 LYS A 29 17.479 -5.334 3.695 1.00 23.22 H new ATOM 0 HZ2 LYS A 29 17.061 -5.046 5.316 1.00 23.22 H new ATOM 0 HZ3 LYS A 29 17.764 -6.526 4.870 1.00 23.22 H new ATOM 434 N SER A 30 12.475 -8.136 10.148 1.00 60.35 N ATOM 435 CA SER A 30 12.617 -8.792 11.442 1.00 11.33 C ATOM 436 C SER A 30 11.924 -10.152 11.442 1.00 53.02 C ATOM 437 O SER A 30 12.504 -11.157 11.854 1.00 54.34 O ATOM 438 CB SER A 30 12.035 -7.911 12.550 1.00 61.24 C ATOM 439 OG SER A 30 11.450 -8.698 13.573 1.00 60.51 O ATOM 0 H SER A 30 11.738 -7.432 10.110 1.00 60.35 H new ATOM 0 HA SER A 30 13.680 -8.946 11.629 1.00 11.33 H new ATOM 0 HB2 SER A 30 12.822 -7.286 12.973 1.00 61.24 H new ATOM 0 HB3 SER A 30 11.286 -7.240 12.130 1.00 61.24 H new ATOM 0 HG SER A 30 11.087 -8.112 14.269 1.00 60.51 H new ATOM 445 N LYS A 31 10.680 -10.175 10.976 1.00 14.31 N ATOM 446 CA LYS A 31 9.906 -11.409 10.919 1.00 23.13 C ATOM 447 C LYS A 31 10.417 -12.321 9.808 1.00 51.31 C ATOM 448 O LYS A 31 10.112 -13.512 9.781 1.00 31.05 O ATOM 449 CB LYS A 31 8.425 -11.096 10.698 1.00 55.12 C ATOM 450 CG LYS A 31 7.637 -10.935 11.986 1.00 40.31 C ATOM 451 CD LYS A 31 7.349 -12.278 12.636 1.00 0.30 C ATOM 452 CE LYS A 31 6.019 -12.850 12.169 1.00 43.35 C ATOM 453 NZ LYS A 31 6.156 -14.254 11.695 1.00 32.43 N ATOM 0 H LYS A 31 10.186 -9.352 10.632 1.00 14.31 H new ATOM 0 HA LYS A 31 10.023 -11.927 11.871 1.00 23.13 H new ATOM 0 HB2 LYS A 31 8.340 -10.180 10.113 1.00 55.12 H new ATOM 0 HB3 LYS A 31 7.978 -11.895 10.106 1.00 55.12 H new ATOM 0 HG2 LYS A 31 8.196 -10.307 12.679 1.00 40.31 H new ATOM 0 HG3 LYS A 31 6.698 -10.422 11.777 1.00 40.31 H new ATOM 0 HD2 LYS A 31 8.150 -12.978 12.399 1.00 0.30 H new ATOM 0 HD3 LYS A 31 7.336 -12.164 13.720 1.00 0.30 H new ATOM 0 HE2 LYS A 31 5.300 -12.811 12.987 1.00 43.35 H new ATOM 0 HE3 LYS A 31 5.620 -12.232 11.364 1.00 43.35 H new ATOM 0 HZ1 LYS A 31 5.228 -14.608 11.385 1.00 32.43 H new ATOM 0 HZ2 LYS A 31 6.823 -14.288 10.898 1.00 32.43 H new ATOM 0 HZ3 LYS A 31 6.512 -14.849 12.470 1.00 32.43 H new ATOM 467 N ASN A 32 11.196 -11.752 8.893 1.00 34.13 N ATOM 468 CA ASN A 32 11.749 -12.514 7.781 1.00 60.10 C ATOM 469 C ASN A 32 10.639 -13.035 6.872 1.00 2.22 C ATOM 470 O ASN A 32 10.483 -14.244 6.695 1.00 1.45 O ATOM 471 CB ASN A 32 12.587 -13.683 8.302 1.00 21.33 C ATOM 472 CG ASN A 32 13.693 -14.077 7.342 1.00 50.42 C ATOM 473 OD1 ASN A 32 14.284 -13.225 6.677 1.00 75.41 O ATOM 474 ND2 ASN A 32 13.977 -15.372 7.266 1.00 45.33 N ATOM 0 H ASN A 32 11.458 -10.766 8.901 1.00 34.13 H new ATOM 0 HA ASN A 32 12.388 -11.848 7.200 1.00 60.10 H new ATOM 0 HB2 ASN A 32 13.024 -13.413 9.263 1.00 21.33 H new ATOM 0 HB3 ASN A 32 11.939 -14.542 8.476 1.00 21.33 H new ATOM 0 HD21 ASN A 32 14.712 -15.697 6.637 1.00 45.33 H new ATOM 0 HD22 ASN A 32 13.461 -16.042 7.836 1.00 45.33 H new ATOM 481 N ILE A 33 9.870 -12.115 6.299 1.00 65.13 N ATOM 482 CA ILE A 33 8.777 -12.481 5.409 1.00 63.24 C ATOM 483 C ILE A 33 9.103 -12.126 3.962 1.00 65.54 C ATOM 484 O ILE A 33 9.726 -11.100 3.689 1.00 53.24 O ATOM 485 CB ILE A 33 7.465 -11.783 5.812 1.00 52.15 C ATOM 486 CG1 ILE A 33 7.085 -12.155 7.246 1.00 14.24 C ATOM 487 CG2 ILE A 33 6.348 -12.157 4.849 1.00 13.01 C ATOM 488 CD1 ILE A 33 6.604 -10.979 8.068 1.00 51.52 C ATOM 0 H ILE A 33 9.984 -11.111 6.436 1.00 65.13 H new ATOM 0 HA ILE A 33 8.648 -13.560 5.496 1.00 63.24 H new ATOM 0 HB ILE A 33 7.614 -10.704 5.763 1.00 52.15 H new ATOM 0 HG12 ILE A 33 6.303 -12.914 7.221 1.00 14.24 H new ATOM 0 HG13 ILE A 33 7.949 -12.603 7.738 1.00 14.24 H new ATOM 0 HG21 ILE A 33 5.427 -11.656 5.147 1.00 13.01 H new ATOM 0 HG22 ILE A 33 6.619 -11.848 3.840 1.00 13.01 H new ATOM 0 HG23 ILE A 33 6.196 -13.236 4.869 1.00 13.01 H new ATOM 0 HD11 ILE A 33 6.352 -11.317 9.073 1.00 51.52 H new ATOM 0 HD12 ILE A 33 7.392 -10.228 8.124 1.00 51.52 H new ATOM 0 HD13 ILE A 33 5.721 -10.544 7.599 1.00 51.52 H new ATOM 500 N ASN A 34 8.678 -12.981 3.038 1.00 65.11 N ATOM 501 CA ASN A 34 8.925 -12.758 1.618 1.00 42.02 C ATOM 502 C ASN A 34 7.944 -11.737 1.050 1.00 10.40 C ATOM 503 O ASN A 34 6.934 -12.099 0.447 1.00 22.10 O ATOM 504 CB ASN A 34 8.811 -14.074 0.846 1.00 24.02 C ATOM 505 CG ASN A 34 10.144 -14.788 0.723 1.00 73.52 C ATOM 506 OD1 ASN A 34 11.204 -14.172 0.833 1.00 61.22 O ATOM 507 ND2 ASN A 34 10.095 -16.096 0.494 1.00 51.21 N ATOM 0 H ASN A 34 8.161 -13.835 3.247 1.00 65.11 H new ATOM 0 HA ASN A 34 9.936 -12.366 1.508 1.00 42.02 H new ATOM 0 HB2 ASN A 34 8.097 -14.727 1.349 1.00 24.02 H new ATOM 0 HB3 ASN A 34 8.415 -13.875 -0.150 1.00 24.02 H new ATOM 0 HD21 ASN A 34 10.959 -16.630 0.402 1.00 51.21 H new ATOM 0 HD22 ASN A 34 9.193 -16.566 0.410 1.00 51.21 H new ATOM 514 N ALA A 35 8.250 -10.458 1.247 1.00 54.44 N ATOM 515 CA ALA A 35 7.397 -9.384 0.752 1.00 3.21 C ATOM 516 C ALA A 35 8.210 -8.125 0.467 1.00 33.25 C ATOM 517 O ALA A 35 9.359 -8.005 0.894 1.00 74.15 O ATOM 518 CB ALA A 35 6.290 -9.086 1.752 1.00 55.30 C ATOM 0 H ALA A 35 9.082 -10.141 1.745 1.00 54.44 H new ATOM 0 HA ALA A 35 6.946 -9.713 -0.184 1.00 3.21 H new ATOM 0 HB1 ALA A 35 5.661 -8.282 1.370 1.00 55.30 H new ATOM 0 HB2 ALA A 35 5.685 -9.980 1.902 1.00 55.30 H new ATOM 0 HB3 ALA A 35 6.730 -8.782 2.702 1.00 55.30 H new ATOM 524 N THR A 36 7.605 -7.187 -0.255 1.00 21.22 N ATOM 525 CA THR A 36 8.273 -5.938 -0.598 1.00 12.32 C ATOM 526 C THR A 36 7.296 -4.768 -0.576 1.00 51.25 C ATOM 527 O THR A 36 6.097 -4.945 -0.795 1.00 43.43 O ATOM 528 CB THR A 36 8.932 -6.015 -1.987 1.00 61.34 C ATOM 529 OG1 THR A 36 8.412 -7.135 -2.715 1.00 12.35 O ATOM 530 CG2 THR A 36 10.443 -6.142 -1.864 1.00 74.42 C ATOM 0 H THR A 36 6.654 -7.269 -0.613 1.00 21.22 H new ATOM 0 HA THR A 36 9.046 -5.777 0.154 1.00 12.32 H new ATOM 0 HB THR A 36 8.703 -5.094 -2.524 1.00 61.34 H new ATOM 0 HG1 THR A 36 7.433 -7.125 -2.675 1.00 12.35 H new ATOM 0 HG21 THR A 36 10.886 -6.195 -2.859 1.00 74.42 H new ATOM 0 HG22 THR A 36 10.839 -5.275 -1.336 1.00 74.42 H new ATOM 0 HG23 THR A 36 10.688 -7.048 -1.309 1.00 74.42 H new ATOM 538 N ILE A 37 7.814 -3.574 -0.311 1.00 23.43 N ATOM 539 CA ILE A 37 6.987 -2.376 -0.262 1.00 40.44 C ATOM 540 C ILE A 37 7.754 -1.157 -0.764 1.00 71.04 C ATOM 541 O ILE A 37 8.972 -1.070 -0.607 1.00 12.05 O ATOM 542 CB ILE A 37 6.482 -2.097 1.166 1.00 45.42 C ATOM 543 CG1 ILE A 37 5.449 -0.969 1.154 1.00 51.45 C ATOM 544 CG2 ILE A 37 7.647 -1.747 2.081 1.00 74.21 C ATOM 545 CD1 ILE A 37 4.422 -1.078 2.259 1.00 32.22 C ATOM 0 H ILE A 37 8.804 -3.411 -0.127 1.00 23.43 H new ATOM 0 HA ILE A 37 6.131 -2.558 -0.912 1.00 40.44 H new ATOM 0 HB ILE A 37 6.003 -2.998 1.549 1.00 45.42 H new ATOM 0 HG12 ILE A 37 5.966 -0.013 1.242 1.00 51.45 H new ATOM 0 HG13 ILE A 37 4.937 -0.967 0.192 1.00 51.45 H new ATOM 0 HG21 ILE A 37 7.274 -1.552 3.087 1.00 74.21 H new ATOM 0 HG22 ILE A 37 8.350 -2.579 2.109 1.00 74.21 H new ATOM 0 HG23 ILE A 37 8.152 -0.858 1.703 1.00 74.21 H new ATOM 0 HD11 ILE A 37 3.722 -0.245 2.189 1.00 32.22 H new ATOM 0 HD12 ILE A 37 3.879 -2.018 2.160 1.00 32.22 H new ATOM 0 HD13 ILE A 37 4.924 -1.050 3.226 1.00 32.22 H new ATOM 557 N GLU A 38 7.033 -0.218 -1.370 1.00 14.44 N ATOM 558 CA GLU A 38 7.646 0.996 -1.894 1.00 3.33 C ATOM 559 C GLU A 38 6.631 2.133 -1.964 1.00 74.10 C ATOM 560 O GLU A 38 5.450 1.909 -2.230 1.00 63.30 O ATOM 561 CB GLU A 38 8.236 0.738 -3.282 1.00 54.04 C ATOM 562 CG GLU A 38 8.878 1.964 -3.908 1.00 60.25 C ATOM 563 CD GLU A 38 10.020 1.612 -4.843 1.00 33.42 C ATOM 564 OE1 GLU A 38 10.930 0.873 -4.415 1.00 5.10 O ATOM 565 OE2 GLU A 38 10.001 2.076 -6.002 1.00 52.14 O ATOM 0 H GLU A 38 6.024 -0.275 -1.510 1.00 14.44 H new ATOM 0 HA GLU A 38 8.447 1.289 -1.215 1.00 3.33 H new ATOM 0 HB2 GLU A 38 8.981 -0.055 -3.209 1.00 54.04 H new ATOM 0 HB3 GLU A 38 7.447 0.375 -3.941 1.00 54.04 H new ATOM 0 HG2 GLU A 38 8.122 2.524 -4.459 1.00 60.25 H new ATOM 0 HG3 GLU A 38 9.248 2.619 -3.119 1.00 60.25 H new ATOM 572 N ALA A 39 7.099 3.353 -1.722 1.00 72.45 N ATOM 573 CA ALA A 39 6.233 4.524 -1.759 1.00 40.42 C ATOM 574 C ALA A 39 6.681 5.504 -2.838 1.00 61.14 C ATOM 575 O ALA A 39 7.792 6.032 -2.789 1.00 32.22 O ATOM 576 CB ALA A 39 6.211 5.208 -0.399 1.00 44.53 C ATOM 0 H ALA A 39 8.073 3.556 -1.498 1.00 72.45 H new ATOM 0 HA ALA A 39 5.224 4.191 -2.003 1.00 40.42 H new ATOM 0 HB1 ALA A 39 5.560 6.081 -0.441 1.00 44.53 H new ATOM 0 HB2 ALA A 39 5.837 4.512 0.352 1.00 44.53 H new ATOM 0 HB3 ALA A 39 7.221 5.521 -0.133 1.00 44.53 H new ATOM 582 N ILE A 40 5.809 5.743 -3.813 1.00 65.45 N ATOM 583 CA ILE A 40 6.116 6.659 -4.904 1.00 72.51 C ATOM 584 C ILE A 40 5.052 7.746 -5.024 1.00 60.22 C ATOM 585 O ILE A 40 4.100 7.785 -4.246 1.00 31.45 O ATOM 586 CB ILE A 40 6.228 5.916 -6.249 1.00 11.12 C ATOM 587 CG1 ILE A 40 5.030 4.984 -6.443 1.00 62.55 C ATOM 588 CG2 ILE A 40 7.532 5.134 -6.314 1.00 34.24 C ATOM 589 CD1 ILE A 40 4.477 4.999 -7.850 1.00 71.43 C ATOM 0 H ILE A 40 4.885 5.315 -3.869 1.00 65.45 H new ATOM 0 HA ILE A 40 7.077 7.117 -4.670 1.00 72.51 H new ATOM 0 HB ILE A 40 6.227 6.650 -7.055 1.00 11.12 H new ATOM 0 HG12 ILE A 40 5.326 3.966 -6.188 1.00 62.55 H new ATOM 0 HG13 ILE A 40 4.241 5.270 -5.748 1.00 62.55 H new ATOM 0 HG21 ILE A 40 7.597 4.614 -7.270 1.00 34.24 H new ATOM 0 HG22 ILE A 40 8.373 5.820 -6.216 1.00 34.24 H new ATOM 0 HG23 ILE A 40 7.561 4.407 -5.503 1.00 34.24 H new ATOM 0 HD11 ILE A 40 3.630 4.316 -7.915 1.00 71.43 H new ATOM 0 HD12 ILE A 40 4.150 6.008 -8.102 1.00 71.43 H new ATOM 0 HD13 ILE A 40 5.252 4.684 -8.549 1.00 71.43 H new ATOM 601 N ALA A 41 5.221 8.625 -6.006 1.00 1.12 N ATOM 602 CA ALA A 41 4.274 9.710 -6.231 1.00 72.32 C ATOM 603 C ALA A 41 3.101 9.246 -7.087 1.00 51.24 C ATOM 604 O ALA A 41 2.982 8.063 -7.402 1.00 75.15 O ATOM 605 CB ALA A 41 4.972 10.893 -6.885 1.00 45.12 C ATOM 0 H ALA A 41 6.005 8.607 -6.658 1.00 1.12 H new ATOM 0 HA ALA A 41 3.882 10.023 -5.263 1.00 72.32 H new ATOM 0 HB1 ALA A 41 4.253 11.696 -7.047 1.00 45.12 H new ATOM 0 HB2 ALA A 41 5.772 11.248 -6.235 1.00 45.12 H new ATOM 0 HB3 ALA A 41 5.392 10.584 -7.842 1.00 45.12 H new ATOM 611 N GLU A 42 2.238 10.186 -7.461 1.00 11.30 N ATOM 612 CA GLU A 42 1.074 9.872 -8.279 1.00 73.32 C ATOM 613 C GLU A 42 1.431 9.890 -9.763 1.00 11.12 C ATOM 614 O GLU A 42 0.762 9.259 -10.583 1.00 23.55 O ATOM 615 CB GLU A 42 -0.056 10.866 -8.004 1.00 25.04 C ATOM 616 CG GLU A 42 0.330 12.313 -8.266 1.00 32.14 C ATOM 617 CD GLU A 42 -0.795 13.111 -8.895 1.00 34.10 C ATOM 618 OE1 GLU A 42 -1.467 12.575 -9.803 1.00 4.44 O ATOM 619 OE2 GLU A 42 -1.005 14.271 -8.481 1.00 64.34 O ATOM 0 H GLU A 42 2.324 11.171 -7.210 1.00 11.30 H new ATOM 0 HA GLU A 42 0.738 8.869 -8.015 1.00 73.32 H new ATOM 0 HB2 GLU A 42 -0.914 10.609 -8.625 1.00 25.04 H new ATOM 0 HB3 GLU A 42 -0.373 10.765 -6.966 1.00 25.04 H new ATOM 0 HG2 GLU A 42 0.623 12.783 -7.327 1.00 32.14 H new ATOM 0 HG3 GLU A 42 1.201 12.340 -8.921 1.00 32.14 H new ATOM 626 N THR A 43 2.490 10.619 -10.102 1.00 33.12 N ATOM 627 CA THR A 43 2.936 10.722 -11.486 1.00 22.41 C ATOM 628 C THR A 43 3.312 9.355 -12.044 1.00 65.25 C ATOM 629 O THR A 43 3.044 9.054 -13.208 1.00 11.11 O ATOM 630 CB THR A 43 4.144 11.668 -11.618 1.00 13.11 C ATOM 631 OG1 THR A 43 4.589 11.708 -12.978 1.00 24.24 O ATOM 632 CG2 THR A 43 5.285 11.218 -10.718 1.00 65.33 C ATOM 0 H THR A 43 3.055 11.147 -9.437 1.00 33.12 H new ATOM 0 HA THR A 43 2.102 11.129 -12.058 1.00 22.41 H new ATOM 0 HB THR A 43 3.831 12.666 -11.310 1.00 13.11 H new ATOM 0 HG1 THR A 43 5.356 12.313 -13.053 1.00 24.24 H new ATOM 0 HG21 THR A 43 6.127 11.902 -10.829 1.00 65.33 H new ATOM 0 HG22 THR A 43 4.952 11.218 -9.680 1.00 65.33 H new ATOM 0 HG23 THR A 43 5.595 10.212 -11.000 1.00 65.33 H new ATOM 640 N ARG A 44 3.936 8.530 -11.210 1.00 35.44 N ATOM 641 CA ARG A 44 4.349 7.194 -11.622 1.00 45.31 C ATOM 642 C ARG A 44 3.534 6.125 -10.901 1.00 34.54 C ATOM 643 O ARG A 44 3.923 4.958 -10.854 1.00 31.53 O ATOM 644 CB ARG A 44 5.839 6.989 -11.341 1.00 31.43 C ATOM 645 CG ARG A 44 6.746 7.835 -12.219 1.00 4.11 C ATOM 646 CD ARG A 44 7.946 8.356 -11.442 1.00 63.43 C ATOM 647 NE ARG A 44 8.544 9.528 -12.078 1.00 74.42 N ATOM 648 CZ ARG A 44 9.748 9.994 -11.773 1.00 1.52 C ATOM 649 NH1 ARG A 44 10.481 9.393 -10.846 1.00 24.11 N ATOM 650 NH2 ARG A 44 10.224 11.065 -12.396 1.00 13.03 N ATOM 0 H ARG A 44 4.167 8.763 -10.244 1.00 35.44 H new ATOM 0 HA ARG A 44 4.171 7.101 -12.693 1.00 45.31 H new ATOM 0 HB2 ARG A 44 6.038 7.223 -10.295 1.00 31.43 H new ATOM 0 HB3 ARG A 44 6.086 5.937 -11.485 1.00 31.43 H new ATOM 0 HG2 ARG A 44 7.090 7.242 -13.067 1.00 4.11 H new ATOM 0 HG3 ARG A 44 6.182 8.675 -12.625 1.00 4.11 H new ATOM 0 HD2 ARG A 44 7.638 8.611 -10.428 1.00 63.43 H new ATOM 0 HD3 ARG A 44 8.694 7.568 -11.359 1.00 63.43 H new ATOM 0 HE ARG A 44 8.006 10.014 -12.796 1.00 74.42 H new ATOM 0 HH11 ARG A 44 10.120 8.569 -10.365 1.00 24.11 H new ATOM 0 HH12 ARG A 44 11.406 9.754 -10.614 1.00 24.11 H new ATOM 0 HH21 ARG A 44 9.664 11.531 -13.110 1.00 13.03 H new ATOM 0 HH22 ARG A 44 11.150 11.422 -12.161 1.00 13.03 H new ATOM 664 N LEU A 45 2.400 6.532 -10.340 1.00 30.04 N ATOM 665 CA LEU A 45 1.529 5.609 -9.620 1.00 3.32 C ATOM 666 C LEU A 45 0.737 4.740 -10.590 1.00 30.42 C ATOM 667 O LEU A 45 0.833 3.512 -10.561 1.00 10.53 O ATOM 668 CB LEU A 45 0.571 6.385 -8.713 1.00 34.23 C ATOM 669 CG LEU A 45 -0.644 5.610 -8.201 1.00 62.42 C ATOM 670 CD1 LEU A 45 -0.207 4.468 -7.296 1.00 64.14 C ATOM 671 CD2 LEU A 45 -1.598 6.538 -7.466 1.00 53.42 C ATOM 0 H LEU A 45 2.063 7.494 -10.370 1.00 30.04 H new ATOM 0 HA LEU A 45 2.154 4.960 -9.007 1.00 3.32 H new ATOM 0 HB2 LEU A 45 1.132 6.751 -7.853 1.00 34.23 H new ATOM 0 HB3 LEU A 45 0.216 7.260 -9.257 1.00 34.23 H new ATOM 0 HG LEU A 45 -1.168 5.187 -9.058 1.00 62.42 H new ATOM 0 HD11 LEU A 45 -1.085 3.928 -6.942 1.00 64.14 H new ATOM 0 HD12 LEU A 45 0.437 3.788 -7.854 1.00 64.14 H new ATOM 0 HD13 LEU A 45 0.341 4.869 -6.443 1.00 64.14 H new ATOM 0 HD21 LEU A 45 -2.456 5.969 -7.109 1.00 53.42 H new ATOM 0 HD22 LEU A 45 -1.084 6.990 -6.618 1.00 53.42 H new ATOM 0 HD23 LEU A 45 -1.938 7.321 -8.144 1.00 53.42 H new ATOM 683 N SER A 46 -0.045 5.383 -11.451 1.00 42.11 N ATOM 684 CA SER A 46 -0.855 4.668 -12.429 1.00 53.45 C ATOM 685 C SER A 46 0.023 4.043 -13.508 1.00 70.45 C ATOM 686 O SER A 46 -0.435 3.209 -14.290 1.00 51.12 O ATOM 687 CB SER A 46 -1.873 5.615 -13.070 1.00 1.03 C ATOM 688 OG SER A 46 -3.057 5.691 -12.295 1.00 52.02 O ATOM 0 H SER A 46 -0.135 6.398 -11.491 1.00 42.11 H new ATOM 0 HA SER A 46 -1.387 3.871 -11.910 1.00 53.45 H new ATOM 0 HB2 SER A 46 -1.437 6.609 -13.171 1.00 1.03 H new ATOM 0 HB3 SER A 46 -2.114 5.269 -14.075 1.00 1.03 H new ATOM 0 HG SER A 46 -3.690 6.303 -12.724 1.00 52.02 H new ATOM 694 N GLU A 47 1.288 4.451 -13.544 1.00 55.12 N ATOM 695 CA GLU A 47 2.230 3.930 -14.528 1.00 1.33 C ATOM 696 C GLU A 47 2.875 2.639 -14.033 1.00 54.51 C ATOM 697 O GLU A 47 3.357 1.830 -14.826 1.00 4.12 O ATOM 698 CB GLU A 47 3.311 4.970 -14.831 1.00 1.24 C ATOM 699 CG GLU A 47 4.484 4.416 -15.621 1.00 1.12 C ATOM 700 CD GLU A 47 4.077 3.906 -16.990 1.00 35.13 C ATOM 701 OE1 GLU A 47 3.230 4.558 -17.638 1.00 2.31 O ATOM 702 OE2 GLU A 47 4.601 2.855 -17.412 1.00 44.15 O ATOM 0 H GLU A 47 1.684 5.140 -12.904 1.00 55.12 H new ATOM 0 HA GLU A 47 1.678 3.712 -15.443 1.00 1.33 H new ATOM 0 HB2 GLU A 47 2.865 5.794 -15.389 1.00 1.24 H new ATOM 0 HB3 GLU A 47 3.679 5.383 -13.892 1.00 1.24 H new ATOM 0 HG2 GLU A 47 5.239 5.194 -15.737 1.00 1.12 H new ATOM 0 HG3 GLU A 47 4.946 3.605 -15.058 1.00 1.12 H new ATOM 709 N VAL A 48 2.880 2.454 -12.717 1.00 31.31 N ATOM 710 CA VAL A 48 3.465 1.261 -12.115 1.00 11.41 C ATOM 711 C VAL A 48 2.388 0.365 -11.513 1.00 43.11 C ATOM 712 O VAL A 48 2.641 -0.795 -11.189 1.00 64.34 O ATOM 713 CB VAL A 48 4.484 1.627 -11.021 1.00 14.15 C ATOM 714 CG1 VAL A 48 5.548 2.563 -11.573 1.00 21.25 C ATOM 715 CG2 VAL A 48 3.780 2.254 -9.826 1.00 21.33 C ATOM 0 H VAL A 48 2.486 3.115 -12.047 1.00 31.31 H new ATOM 0 HA VAL A 48 3.977 0.722 -12.912 1.00 11.41 H new ATOM 0 HB VAL A 48 4.976 0.713 -10.687 1.00 14.15 H new ATOM 0 HG11 VAL A 48 6.259 2.810 -10.785 1.00 21.25 H new ATOM 0 HG12 VAL A 48 6.072 2.074 -12.394 1.00 21.25 H new ATOM 0 HG13 VAL A 48 5.076 3.476 -11.936 1.00 21.25 H new ATOM 0 HG21 VAL A 48 4.515 2.507 -9.062 1.00 21.33 H new ATOM 0 HG22 VAL A 48 3.261 3.158 -10.143 1.00 21.33 H new ATOM 0 HG23 VAL A 48 3.059 1.547 -9.416 1.00 21.33 H new ATOM 725 N VAL A 49 1.186 0.911 -11.367 1.00 53.13 N ATOM 726 CA VAL A 49 0.069 0.160 -10.805 1.00 10.41 C ATOM 727 C VAL A 49 -0.225 -1.088 -11.630 1.00 2.35 C ATOM 728 O VAL A 49 -0.837 -2.038 -11.140 1.00 63.03 O ATOM 729 CB VAL A 49 -1.206 1.023 -10.729 1.00 3.54 C ATOM 730 CG1 VAL A 49 -1.735 1.319 -12.124 1.00 21.25 C ATOM 731 CG2 VAL A 49 -2.265 0.334 -9.883 1.00 14.11 C ATOM 0 H VAL A 49 0.960 1.870 -11.630 1.00 53.13 H new ATOM 0 HA VAL A 49 0.361 -0.134 -9.797 1.00 10.41 H new ATOM 0 HB VAL A 49 -0.954 1.971 -10.254 1.00 3.54 H new ATOM 0 HG11 VAL A 49 -2.635 1.929 -12.050 1.00 21.25 H new ATOM 0 HG12 VAL A 49 -0.978 1.857 -12.694 1.00 21.25 H new ATOM 0 HG13 VAL A 49 -1.972 0.383 -12.630 1.00 21.25 H new ATOM 0 HG21 VAL A 49 -3.158 0.957 -9.840 1.00 14.11 H new ATOM 0 HG22 VAL A 49 -2.515 -0.629 -10.327 1.00 14.11 H new ATOM 0 HG23 VAL A 49 -1.881 0.180 -8.874 1.00 14.11 H new ATOM 741 N ASP A 50 0.215 -1.079 -12.883 1.00 2.13 N ATOM 742 CA ASP A 50 0.002 -2.211 -13.776 1.00 63.51 C ATOM 743 C ASP A 50 1.106 -3.251 -13.610 1.00 63.00 C ATOM 744 O ASP A 50 1.159 -4.238 -14.344 1.00 64.11 O ATOM 745 CB ASP A 50 -0.055 -1.738 -15.230 1.00 75.21 C ATOM 746 CG ASP A 50 -1.069 -2.511 -16.050 1.00 35.22 C ATOM 747 OD1 ASP A 50 -0.968 -3.754 -16.101 1.00 61.33 O ATOM 748 OD2 ASP A 50 -1.966 -1.873 -16.641 1.00 44.53 O ATOM 0 H ASP A 50 0.722 -0.300 -13.303 1.00 2.13 H new ATOM 0 HA ASP A 50 -0.950 -2.673 -13.514 1.00 63.51 H new ATOM 0 HB2 ASP A 50 -0.305 -0.677 -15.255 1.00 75.21 H new ATOM 0 HB3 ASP A 50 0.931 -1.844 -15.683 1.00 75.21 H new ATOM 753 N ARG A 51 1.986 -3.022 -12.642 1.00 4.43 N ATOM 754 CA ARG A 51 3.092 -3.936 -12.380 1.00 71.31 C ATOM 755 C ARG A 51 3.009 -4.499 -10.965 1.00 33.02 C ATOM 756 O ARG A 51 3.183 -5.699 -10.751 1.00 4.11 O ATOM 757 CB ARG A 51 4.430 -3.223 -12.580 1.00 23.21 C ATOM 758 CG ARG A 51 4.647 -2.722 -13.998 1.00 42.44 C ATOM 759 CD ARG A 51 6.128 -2.599 -14.325 1.00 52.44 C ATOM 760 NE ARG A 51 6.512 -1.220 -14.612 1.00 62.04 N ATOM 761 CZ ARG A 51 7.768 -0.832 -14.805 1.00 71.14 C ATOM 762 NH1 ARG A 51 8.755 -1.715 -14.743 1.00 74.11 N ATOM 763 NH2 ARG A 51 8.038 0.441 -15.063 1.00 4.42 N ATOM 0 H ARG A 51 1.955 -2.210 -12.025 1.00 4.43 H new ATOM 0 HA ARG A 51 3.021 -4.764 -13.086 1.00 71.31 H new ATOM 0 HB2 ARG A 51 4.489 -2.379 -11.893 1.00 23.21 H new ATOM 0 HB3 ARG A 51 5.238 -3.905 -12.317 1.00 23.21 H new ATOM 0 HG2 ARG A 51 4.173 -3.405 -14.703 1.00 42.44 H new ATOM 0 HG3 ARG A 51 4.164 -1.752 -14.120 1.00 42.44 H new ATOM 0 HD2 ARG A 51 6.717 -2.972 -13.487 1.00 52.44 H new ATOM 0 HD3 ARG A 51 6.363 -3.227 -15.184 1.00 52.44 H new ATOM 0 HE ARG A 51 5.776 -0.516 -14.667 1.00 62.04 H new ATOM 0 HH11 ARG A 51 8.551 -2.695 -14.547 1.00 74.11 H new ATOM 0 HH12 ARG A 51 9.718 -1.414 -14.892 1.00 74.11 H new ATOM 0 HH21 ARG A 51 7.281 1.123 -15.113 1.00 4.42 H new ATOM 0 HH22 ARG A 51 9.003 0.738 -15.211 1.00 4.42 H new ATOM 777 N PHE A 52 2.741 -3.623 -10.001 1.00 22.42 N ATOM 778 CA PHE A 52 2.637 -4.032 -8.605 1.00 25.44 C ATOM 779 C PHE A 52 1.444 -4.961 -8.398 1.00 3.13 C ATOM 780 O PHE A 52 0.742 -5.309 -9.348 1.00 11.33 O ATOM 781 CB PHE A 52 2.506 -2.805 -7.701 1.00 33.24 C ATOM 782 CG PHE A 52 3.812 -2.117 -7.429 1.00 61.11 C ATOM 783 CD1 PHE A 52 4.289 -1.142 -8.291 1.00 63.11 C ATOM 784 CD2 PHE A 52 4.565 -2.445 -6.313 1.00 71.23 C ATOM 785 CE1 PHE A 52 5.492 -0.507 -8.044 1.00 54.14 C ATOM 786 CE2 PHE A 52 5.767 -1.812 -6.061 1.00 65.02 C ATOM 787 CZ PHE A 52 6.233 -0.843 -6.929 1.00 35.21 C ATOM 0 H PHE A 52 2.592 -2.627 -10.161 1.00 22.42 H new ATOM 0 HA PHE A 52 3.546 -4.573 -8.342 1.00 25.44 H new ATOM 0 HB2 PHE A 52 1.820 -2.095 -8.163 1.00 33.24 H new ATOM 0 HB3 PHE A 52 2.060 -3.108 -6.754 1.00 33.24 H new ATOM 0 HD1 PHE A 52 3.714 -0.875 -9.166 1.00 63.11 H new ATOM 0 HD2 PHE A 52 4.208 -3.204 -5.632 1.00 71.23 H new ATOM 0 HE1 PHE A 52 5.852 0.252 -8.723 1.00 54.14 H new ATOM 0 HE2 PHE A 52 6.342 -2.075 -5.186 1.00 65.02 H new ATOM 0 HZ PHE A 52 7.174 -0.350 -6.736 1.00 35.21 H new ATOM 797 N ASP A 53 1.222 -5.360 -7.150 1.00 22.25 N ATOM 798 CA ASP A 53 0.115 -6.248 -6.817 1.00 0.20 C ATOM 799 C ASP A 53 -1.002 -5.484 -6.112 1.00 41.42 C ATOM 800 O ASP A 53 -2.107 -5.351 -6.640 1.00 23.14 O ATOM 801 CB ASP A 53 0.602 -7.395 -5.930 1.00 61.05 C ATOM 802 CG ASP A 53 1.461 -8.388 -6.689 1.00 31.33 C ATOM 803 OD1 ASP A 53 0.894 -9.244 -7.399 1.00 15.01 O ATOM 804 OD2 ASP A 53 2.702 -8.309 -6.572 1.00 13.31 O ATOM 0 H ASP A 53 1.794 -5.082 -6.353 1.00 22.25 H new ATOM 0 HA ASP A 53 -0.280 -6.659 -7.746 1.00 0.20 H new ATOM 0 HB2 ASP A 53 1.173 -6.988 -5.095 1.00 61.05 H new ATOM 0 HB3 ASP A 53 -0.258 -7.913 -5.505 1.00 61.05 H new ATOM 809 N VAL A 54 -0.707 -4.982 -4.917 1.00 22.43 N ATOM 810 CA VAL A 54 -1.685 -4.232 -4.140 1.00 41.41 C ATOM 811 C VAL A 54 -1.330 -2.749 -4.093 1.00 63.44 C ATOM 812 O VAL A 54 -0.168 -2.373 -4.251 1.00 60.44 O ATOM 813 CB VAL A 54 -1.790 -4.768 -2.701 1.00 34.13 C ATOM 814 CG1 VAL A 54 -2.082 -6.261 -2.706 1.00 72.44 C ATOM 815 CG2 VAL A 54 -0.515 -4.469 -1.926 1.00 35.02 C ATOM 0 H VAL A 54 0.203 -5.082 -4.466 1.00 22.43 H new ATOM 0 HA VAL A 54 -2.647 -4.357 -4.638 1.00 41.41 H new ATOM 0 HB VAL A 54 -2.618 -4.262 -2.204 1.00 34.13 H new ATOM 0 HG11 VAL A 54 -2.153 -6.621 -1.680 1.00 72.44 H new ATOM 0 HG12 VAL A 54 -3.025 -6.446 -3.221 1.00 72.44 H new ATOM 0 HG13 VAL A 54 -1.278 -6.787 -3.221 1.00 72.44 H new ATOM 0 HG21 VAL A 54 -0.607 -4.855 -0.911 1.00 35.02 H new ATOM 0 HG22 VAL A 54 0.331 -4.946 -2.420 1.00 35.02 H new ATOM 0 HG23 VAL A 54 -0.355 -3.391 -1.891 1.00 35.02 H new ATOM 825 N VAL A 55 -2.338 -1.911 -3.875 1.00 1.12 N ATOM 826 CA VAL A 55 -2.131 -0.470 -3.806 1.00 12.33 C ATOM 827 C VAL A 55 -2.728 0.110 -2.528 1.00 61.14 C ATOM 828 O VAL A 55 -3.797 -0.311 -2.082 1.00 0.42 O ATOM 829 CB VAL A 55 -2.754 0.245 -5.019 1.00 63.14 C ATOM 830 CG1 VAL A 55 -2.441 1.734 -4.982 1.00 62.40 C ATOM 831 CG2 VAL A 55 -2.260 -0.380 -6.316 1.00 5.33 C ATOM 0 H VAL A 55 -3.306 -2.205 -3.743 1.00 1.12 H new ATOM 0 HA VAL A 55 -1.054 -0.305 -3.809 1.00 12.33 H new ATOM 0 HB VAL A 55 -3.836 0.125 -4.973 1.00 63.14 H new ATOM 0 HG11 VAL A 55 -2.890 2.222 -5.847 1.00 62.40 H new ATOM 0 HG12 VAL A 55 -2.848 2.169 -4.069 1.00 62.40 H new ATOM 0 HG13 VAL A 55 -1.361 1.879 -5.003 1.00 62.40 H new ATOM 0 HG21 VAL A 55 -2.710 0.137 -7.164 1.00 5.33 H new ATOM 0 HG22 VAL A 55 -1.175 -0.292 -6.372 1.00 5.33 H new ATOM 0 HG23 VAL A 55 -2.541 -1.433 -6.343 1.00 5.33 H new ATOM 841 N LEU A 56 -2.032 1.078 -1.943 1.00 12.12 N ATOM 842 CA LEU A 56 -2.493 1.718 -0.715 1.00 22.13 C ATOM 843 C LEU A 56 -2.318 3.231 -0.791 1.00 72.22 C ATOM 844 O LEU A 56 -1.272 3.726 -1.212 1.00 23.53 O ATOM 845 CB LEU A 56 -1.728 1.164 0.489 1.00 13.31 C ATOM 846 CG LEU A 56 -1.764 -0.354 0.667 1.00 70.22 C ATOM 847 CD1 LEU A 56 -1.048 -0.758 1.946 1.00 60.51 C ATOM 848 CD2 LEU A 56 -3.201 -0.856 0.677 1.00 12.30 C ATOM 0 H LEU A 56 -1.146 1.437 -2.299 1.00 12.12 H new ATOM 0 HA LEU A 56 -3.554 1.499 -0.596 1.00 22.13 H new ATOM 0 HB2 LEU A 56 -0.687 1.475 0.407 1.00 13.31 H new ATOM 0 HB3 LEU A 56 -2.128 1.625 1.392 1.00 13.31 H new ATOM 0 HG LEU A 56 -1.246 -0.812 -0.176 1.00 70.22 H new ATOM 0 HD11 LEU A 56 -1.084 -1.842 2.056 1.00 60.51 H new ATOM 0 HD12 LEU A 56 -0.009 -0.432 1.900 1.00 60.51 H new ATOM 0 HD13 LEU A 56 -1.537 -0.290 2.800 1.00 60.51 H new ATOM 0 HD21 LEU A 56 -3.207 -1.938 0.805 1.00 12.30 H new ATOM 0 HD22 LEU A 56 -3.743 -0.390 1.500 1.00 12.30 H new ATOM 0 HD23 LEU A 56 -3.683 -0.599 -0.266 1.00 12.30 H new ATOM 860 N LEU A 57 -3.348 3.961 -0.379 1.00 35.44 N ATOM 861 CA LEU A 57 -3.310 5.420 -0.397 1.00 20.30 C ATOM 862 C LEU A 57 -3.174 5.979 1.015 1.00 33.15 C ATOM 863 O LEU A 57 -3.575 5.339 1.987 1.00 12.21 O ATOM 864 CB LEU A 57 -4.572 5.975 -1.060 1.00 23.34 C ATOM 865 CG LEU A 57 -4.492 6.204 -2.569 1.00 14.12 C ATOM 866 CD1 LEU A 57 -3.605 7.400 -2.881 1.00 62.25 C ATOM 867 CD2 LEU A 57 -3.975 4.957 -3.272 1.00 14.12 C ATOM 0 H LEU A 57 -4.221 3.567 -0.028 1.00 35.44 H new ATOM 0 HA LEU A 57 -2.439 5.729 -0.975 1.00 20.30 H new ATOM 0 HB2 LEU A 57 -5.395 5.289 -0.860 1.00 23.34 H new ATOM 0 HB3 LEU A 57 -4.823 6.922 -0.582 1.00 23.34 H new ATOM 0 HG LEU A 57 -5.496 6.415 -2.938 1.00 14.12 H new ATOM 0 HD11 LEU A 57 -3.560 7.548 -3.960 1.00 62.25 H new ATOM 0 HD12 LEU A 57 -4.018 8.292 -2.409 1.00 62.25 H new ATOM 0 HD13 LEU A 57 -2.601 7.218 -2.497 1.00 62.25 H new ATOM 0 HD21 LEU A 57 -3.925 5.139 -4.346 1.00 14.12 H new ATOM 0 HD22 LEU A 57 -2.980 4.715 -2.898 1.00 14.12 H new ATOM 0 HD23 LEU A 57 -4.649 4.123 -3.076 1.00 14.12 H new ATOM 879 N ALA A 58 -2.610 7.176 1.120 1.00 2.34 N ATOM 880 CA ALA A 58 -2.426 7.824 2.413 1.00 23.13 C ATOM 881 C ALA A 58 -3.427 8.959 2.606 1.00 23.44 C ATOM 882 O ALA A 58 -4.009 9.474 1.653 1.00 63.14 O ATOM 883 CB ALA A 58 -1.002 8.345 2.545 1.00 13.22 C ATOM 0 H ALA A 58 -2.272 7.718 0.325 1.00 2.34 H new ATOM 0 HA ALA A 58 -2.603 7.082 3.192 1.00 23.13 H new ATOM 0 HB1 ALA A 58 -0.879 8.826 3.515 1.00 13.22 H new ATOM 0 HB2 ALA A 58 -0.301 7.514 2.461 1.00 13.22 H new ATOM 0 HB3 ALA A 58 -0.804 9.068 1.754 1.00 13.22 H new ATOM 889 N PRO A 59 -3.632 9.357 3.870 1.00 13.12 N ATOM 890 CA PRO A 59 -4.563 10.435 4.218 1.00 53.13 C ATOM 891 C PRO A 59 -4.063 11.802 3.764 1.00 13.42 C ATOM 892 O PRO A 59 -3.567 12.589 4.569 1.00 4.41 O ATOM 893 CB PRO A 59 -4.627 10.370 5.746 1.00 74.44 C ATOM 894 CG PRO A 59 -3.335 9.752 6.153 1.00 61.23 C ATOM 895 CD PRO A 59 -2.973 8.788 5.057 1.00 23.14 C ATOM 0 HA PRO A 59 -5.530 10.310 3.732 1.00 53.13 H new ATOM 0 HB2 PRO A 59 -4.745 11.363 6.180 1.00 74.44 H new ATOM 0 HB3 PRO A 59 -5.475 9.773 6.082 1.00 74.44 H new ATOM 0 HG2 PRO A 59 -2.562 10.510 6.277 1.00 61.23 H new ATOM 0 HG3 PRO A 59 -3.433 9.237 7.109 1.00 61.23 H new ATOM 0 HD2 PRO A 59 -1.893 8.719 4.923 1.00 23.14 H new ATOM 0 HD3 PRO A 59 -3.332 7.782 5.272 1.00 23.14 H new ATOM 903 N GLN A 60 -4.200 12.078 2.471 1.00 62.22 N ATOM 904 CA GLN A 60 -3.761 13.351 1.911 1.00 23.32 C ATOM 905 C GLN A 60 -4.042 13.413 0.414 1.00 25.11 C ATOM 906 O GLN A 60 -3.277 14.005 -0.347 1.00 24.21 O ATOM 907 CB GLN A 60 -2.267 13.558 2.171 1.00 21.41 C ATOM 908 CG GLN A 60 -1.922 14.958 2.651 1.00 3.33 C ATOM 909 CD GLN A 60 -0.428 15.181 2.775 1.00 23.21 C ATOM 910 OE1 GLN A 60 0.356 14.678 1.969 1.00 15.15 O ATOM 911 NE2 GLN A 60 -0.024 15.938 3.789 1.00 63.33 N ATOM 0 H GLN A 60 -4.611 11.438 1.792 1.00 62.22 H new ATOM 0 HA GLN A 60 -4.322 14.147 2.400 1.00 23.32 H new ATOM 0 HB2 GLN A 60 -1.932 12.835 2.915 1.00 21.41 H new ATOM 0 HB3 GLN A 60 -1.715 13.351 1.254 1.00 21.41 H new ATOM 0 HG2 GLN A 60 -2.338 15.689 1.957 1.00 3.33 H new ATOM 0 HG3 GLN A 60 -2.393 15.133 3.618 1.00 3.33 H new ATOM 0 HE21 GLN A 60 -0.708 16.335 4.433 1.00 63.33 H new ATOM 0 HE22 GLN A 60 0.970 16.122 3.923 1.00 63.33 H new ATOM 920 N SER A 61 -5.144 12.797 -0.002 1.00 53.21 N ATOM 921 CA SER A 61 -5.524 12.780 -1.410 1.00 71.12 C ATOM 922 C SER A 61 -6.869 13.470 -1.619 1.00 25.14 C ATOM 923 O SER A 61 -7.848 13.164 -0.937 1.00 53.22 O ATOM 924 CB SER A 61 -5.593 11.340 -1.923 1.00 53.43 C ATOM 925 OG SER A 61 -5.218 10.420 -0.912 1.00 62.02 O ATOM 0 H SER A 61 -5.789 12.304 0.615 1.00 53.21 H new ATOM 0 HA SER A 61 -4.765 13.324 -1.972 1.00 71.12 H new ATOM 0 HB2 SER A 61 -6.605 11.120 -2.262 1.00 53.43 H new ATOM 0 HB3 SER A 61 -4.936 11.226 -2.785 1.00 53.43 H new ATOM 0 HG SER A 61 -5.422 9.508 -1.207 1.00 62.02 H new ATOM 931 N ARG A 62 -6.908 14.403 -2.564 1.00 23.43 N ATOM 932 CA ARG A 62 -8.131 15.139 -2.862 1.00 61.31 C ATOM 933 C ARG A 62 -8.931 14.441 -3.957 1.00 34.34 C ATOM 934 O ARG A 62 -10.033 13.946 -3.715 1.00 65.15 O ATOM 935 CB ARG A 62 -7.799 16.569 -3.291 1.00 61.54 C ATOM 936 CG ARG A 62 -7.151 17.399 -2.195 1.00 54.31 C ATOM 937 CD ARG A 62 -7.951 18.659 -1.904 1.00 45.31 C ATOM 938 NE ARG A 62 -7.653 19.204 -0.583 1.00 22.30 N ATOM 939 CZ ARG A 62 -8.301 20.234 -0.049 1.00 64.20 C ATOM 940 NH1 ARG A 62 -9.278 20.827 -0.721 1.00 61.02 N ATOM 941 NH2 ARG A 62 -7.972 20.672 1.160 1.00 45.30 N ATOM 0 H ARG A 62 -6.107 14.667 -3.137 1.00 23.43 H new ATOM 0 HA ARG A 62 -8.737 15.170 -1.956 1.00 61.31 H new ATOM 0 HB2 ARG A 62 -7.132 16.535 -4.152 1.00 61.54 H new ATOM 0 HB3 ARG A 62 -8.714 17.063 -3.616 1.00 61.54 H new ATOM 0 HG2 ARG A 62 -7.067 16.802 -1.287 1.00 54.31 H new ATOM 0 HG3 ARG A 62 -6.138 17.670 -2.493 1.00 54.31 H new ATOM 0 HD2 ARG A 62 -7.733 19.410 -2.663 1.00 45.31 H new ATOM 0 HD3 ARG A 62 -9.016 18.436 -1.972 1.00 45.31 H new ATOM 0 HE ARG A 62 -6.906 18.770 -0.040 1.00 22.30 H new ATOM 0 HH11 ARG A 62 -9.534 20.493 -1.650 1.00 61.02 H new ATOM 0 HH12 ARG A 62 -9.774 21.617 -0.309 1.00 61.02 H new ATOM 0 HH21 ARG A 62 -7.221 20.218 1.680 1.00 45.30 H new ATOM 0 HH22 ARG A 62 -8.470 21.463 1.569 1.00 45.30 H new ATOM 955 N PHE A 63 -8.372 14.404 -5.162 1.00 4.55 N ATOM 956 CA PHE A 63 -9.033 13.768 -6.294 1.00 12.40 C ATOM 957 C PHE A 63 -8.445 12.387 -6.563 1.00 23.41 C ATOM 958 O PHE A 63 -9.127 11.497 -7.069 1.00 1.15 O ATOM 959 CB PHE A 63 -8.905 14.643 -7.544 1.00 23.54 C ATOM 960 CG PHE A 63 -10.217 15.180 -8.037 1.00 15.41 C ATOM 961 CD1 PHE A 63 -10.975 16.029 -7.246 1.00 71.13 C ATOM 962 CD2 PHE A 63 -10.695 14.836 -9.292 1.00 21.45 C ATOM 963 CE1 PHE A 63 -12.183 16.527 -7.697 1.00 65.43 C ATOM 964 CE2 PHE A 63 -11.902 15.329 -9.748 1.00 12.31 C ATOM 965 CZ PHE A 63 -12.648 16.175 -8.950 1.00 65.14 C ATOM 0 H PHE A 63 -7.461 14.808 -5.379 1.00 4.55 H new ATOM 0 HA PHE A 63 -10.088 13.651 -6.047 1.00 12.40 H new ATOM 0 HB2 PHE A 63 -8.239 15.478 -7.327 1.00 23.54 H new ATOM 0 HB3 PHE A 63 -8.438 14.061 -8.339 1.00 23.54 H new ATOM 0 HD1 PHE A 63 -10.617 16.305 -6.265 1.00 71.13 H new ATOM 0 HD2 PHE A 63 -10.117 14.175 -9.920 1.00 21.45 H new ATOM 0 HE1 PHE A 63 -12.762 17.190 -7.071 1.00 65.43 H new ATOM 0 HE2 PHE A 63 -12.263 15.053 -10.728 1.00 12.31 H new ATOM 0 HZ PHE A 63 -13.593 16.560 -9.305 1.00 65.14 H new ATOM 975 N ASN A 64 -7.172 12.216 -6.221 1.00 4.34 N ATOM 976 CA ASN A 64 -6.489 10.944 -6.425 1.00 73.34 C ATOM 977 C ASN A 64 -7.291 9.793 -5.823 1.00 42.43 C ATOM 978 O ASN A 64 -7.359 8.704 -6.393 1.00 52.21 O ATOM 979 CB ASN A 64 -5.091 10.985 -5.806 1.00 11.34 C ATOM 980 CG ASN A 64 -4.334 12.248 -6.171 1.00 30.32 C ATOM 981 OD1 ASN A 64 -3.903 12.419 -7.311 1.00 62.00 O ATOM 982 ND2 ASN A 64 -4.170 13.139 -5.200 1.00 43.31 N ATOM 0 H ASN A 64 -6.593 12.943 -5.801 1.00 4.34 H new ATOM 0 HA ASN A 64 -6.398 10.778 -7.498 1.00 73.34 H new ATOM 0 HB2 ASN A 64 -5.175 10.915 -4.721 1.00 11.34 H new ATOM 0 HB3 ASN A 64 -4.524 10.116 -6.138 1.00 11.34 H new ATOM 0 HD21 ASN A 64 -3.669 14.008 -5.385 1.00 43.31 H new ATOM 0 HD22 ASN A 64 -4.545 12.954 -4.270 1.00 43.31 H new ATOM 989 N LYS A 65 -7.896 10.043 -4.668 1.00 51.13 N ATOM 990 CA LYS A 65 -8.696 9.031 -3.988 1.00 24.35 C ATOM 991 C LYS A 65 -9.853 8.570 -4.867 1.00 52.14 C ATOM 992 O LYS A 65 -9.982 7.385 -5.173 1.00 31.44 O ATOM 993 CB LYS A 65 -9.233 9.580 -2.664 1.00 74.02 C ATOM 994 CG LYS A 65 -10.269 8.682 -2.010 1.00 23.24 C ATOM 995 CD LYS A 65 -10.302 8.877 -0.502 1.00 63.11 C ATOM 996 CE LYS A 65 -10.970 10.190 -0.125 1.00 71.31 C ATOM 997 NZ LYS A 65 -11.639 10.109 1.203 1.00 55.10 N ATOM 0 H LYS A 65 -7.848 10.939 -4.182 1.00 51.13 H new ATOM 0 HA LYS A 65 -8.055 8.174 -3.785 1.00 24.35 H new ATOM 0 HB2 LYS A 65 -8.401 9.722 -1.975 1.00 74.02 H new ATOM 0 HB3 LYS A 65 -9.673 10.562 -2.839 1.00 74.02 H new ATOM 0 HG2 LYS A 65 -11.253 8.896 -2.427 1.00 23.24 H new ATOM 0 HG3 LYS A 65 -10.045 7.640 -2.239 1.00 23.24 H new ATOM 0 HD2 LYS A 65 -10.838 8.049 -0.038 1.00 63.11 H new ATOM 0 HD3 LYS A 65 -9.285 8.859 -0.109 1.00 63.11 H new ATOM 0 HE2 LYS A 65 -10.225 10.985 -0.109 1.00 71.31 H new ATOM 0 HE3 LYS A 65 -11.704 10.456 -0.886 1.00 71.31 H new ATOM 0 HZ1 LYS A 65 -12.083 11.023 1.425 1.00 55.10 H new ATOM 0 HZ2 LYS A 65 -12.368 9.367 1.180 1.00 55.10 H new ATOM 0 HZ3 LYS A 65 -10.935 9.880 1.933 1.00 55.10 H new ATOM 1011 N LYS A 66 -10.695 9.516 -5.273 1.00 24.40 N ATOM 1012 CA LYS A 66 -11.841 9.208 -6.120 1.00 30.41 C ATOM 1013 C LYS A 66 -11.405 8.456 -7.373 1.00 74.22 C ATOM 1014 O LYS A 66 -11.931 7.386 -7.682 1.00 1.15 O ATOM 1015 CB LYS A 66 -12.571 10.494 -6.512 1.00 43.42 C ATOM 1016 CG LYS A 66 -13.839 10.255 -7.313 1.00 24.21 C ATOM 1017 CD LYS A 66 -15.070 10.264 -6.423 1.00 61.52 C ATOM 1018 CE LYS A 66 -15.532 11.682 -6.126 1.00 72.12 C ATOM 1019 NZ LYS A 66 -16.327 11.754 -4.868 1.00 60.14 N ATOM 0 H LYS A 66 -10.604 10.502 -5.029 1.00 24.40 H new ATOM 0 HA LYS A 66 -12.520 8.571 -5.553 1.00 30.41 H new ATOM 0 HB2 LYS A 66 -12.822 11.049 -5.608 1.00 43.42 H new ATOM 0 HB3 LYS A 66 -11.896 11.121 -7.095 1.00 43.42 H new ATOM 0 HG2 LYS A 66 -13.937 11.024 -8.079 1.00 24.21 H new ATOM 0 HG3 LYS A 66 -13.769 9.298 -7.830 1.00 24.21 H new ATOM 0 HD2 LYS A 66 -15.875 9.712 -6.908 1.00 61.52 H new ATOM 0 HD3 LYS A 66 -14.848 9.749 -5.488 1.00 61.52 H new ATOM 0 HE2 LYS A 66 -14.665 12.337 -6.046 1.00 72.12 H new ATOM 0 HE3 LYS A 66 -16.133 12.050 -6.957 1.00 72.12 H new ATOM 0 HZ1 LYS A 66 -16.623 12.737 -4.700 1.00 60.14 H new ATOM 0 HZ2 LYS A 66 -17.168 11.148 -4.954 1.00 60.14 H new ATOM 0 HZ3 LYS A 66 -15.745 11.427 -4.070 1.00 60.14 H new ATOM 1033 N ARG A 67 -10.441 9.021 -8.092 1.00 43.41 N ATOM 1034 CA ARG A 67 -9.934 8.404 -9.312 1.00 35.31 C ATOM 1035 C ARG A 67 -9.429 6.989 -9.036 1.00 54.53 C ATOM 1036 O ARG A 67 -9.873 6.028 -9.666 1.00 25.45 O ATOM 1037 CB ARG A 67 -8.809 9.250 -9.908 1.00 44.43 C ATOM 1038 CG ARG A 67 -9.198 10.700 -10.147 1.00 74.00 C ATOM 1039 CD ARG A 67 -8.913 11.125 -11.579 1.00 3.01 C ATOM 1040 NE ARG A 67 -9.940 10.656 -12.504 1.00 41.23 N ATOM 1041 CZ ARG A 67 -11.150 11.197 -12.596 1.00 32.12 C ATOM 1042 NH1 ARG A 67 -11.482 12.221 -11.821 1.00 22.42 N ATOM 1043 NH2 ARG A 67 -12.031 10.714 -13.462 1.00 64.15 N ATOM 0 H ARG A 67 -9.995 9.906 -7.851 1.00 43.41 H new ATOM 0 HA ARG A 67 -10.754 8.347 -10.028 1.00 35.31 H new ATOM 0 HB2 ARG A 67 -7.949 9.219 -9.239 1.00 44.43 H new ATOM 0 HB3 ARG A 67 -8.494 8.807 -10.853 1.00 44.43 H new ATOM 0 HG2 ARG A 67 -10.258 10.834 -9.931 1.00 74.00 H new ATOM 0 HG3 ARG A 67 -8.649 11.343 -9.459 1.00 74.00 H new ATOM 0 HD2 ARG A 67 -8.850 12.212 -11.629 1.00 3.01 H new ATOM 0 HD3 ARG A 67 -7.943 10.735 -11.887 1.00 3.01 H new ATOM 0 HE ARG A 67 -9.716 9.869 -13.114 1.00 41.23 H new ATOM 0 HH11 ARG A 67 -10.808 12.595 -11.153 1.00 22.42 H new ATOM 0 HH12 ARG A 67 -12.411 12.635 -11.893 1.00 22.42 H new ATOM 0 HH21 ARG A 67 -11.780 9.926 -14.059 1.00 64.15 H new ATOM 0 HH22 ARG A 67 -12.959 11.131 -13.531 1.00 64.15 H new ATOM 1057 N LEU A 68 -8.501 6.871 -8.093 1.00 13.41 N ATOM 1058 CA LEU A 68 -7.937 5.576 -7.734 1.00 23.51 C ATOM 1059 C LEU A 68 -9.038 4.559 -7.459 1.00 34.53 C ATOM 1060 O LEU A 68 -8.934 3.395 -7.847 1.00 40.21 O ATOM 1061 CB LEU A 68 -7.035 5.713 -6.506 1.00 50.13 C ATOM 1062 CG LEU A 68 -5.583 6.108 -6.779 1.00 74.34 C ATOM 1063 CD1 LEU A 68 -5.073 7.049 -5.700 1.00 52.32 C ATOM 1064 CD2 LEU A 68 -4.701 4.871 -6.871 1.00 14.22 C ATOM 0 H LEU A 68 -8.124 7.657 -7.563 1.00 13.41 H new ATOM 0 HA LEU A 68 -7.343 5.221 -8.576 1.00 23.51 H new ATOM 0 HB2 LEU A 68 -7.473 6.456 -5.839 1.00 50.13 H new ATOM 0 HB3 LEU A 68 -7.038 4.764 -5.971 1.00 50.13 H new ATOM 0 HG LEU A 68 -5.543 6.630 -7.735 1.00 74.34 H new ATOM 0 HD11 LEU A 68 -4.038 7.319 -5.912 1.00 52.32 H new ATOM 0 HD12 LEU A 68 -5.687 7.950 -5.683 1.00 52.32 H new ATOM 0 HD13 LEU A 68 -5.128 6.554 -4.730 1.00 52.32 H new ATOM 0 HD21 LEU A 68 -3.672 5.172 -7.066 1.00 14.22 H new ATOM 0 HD22 LEU A 68 -4.747 4.321 -5.931 1.00 14.22 H new ATOM 0 HD23 LEU A 68 -5.052 4.233 -7.682 1.00 14.22 H new ATOM 1076 N GLU A 69 -10.096 5.005 -6.787 1.00 44.12 N ATOM 1077 CA GLU A 69 -11.217 4.132 -6.461 1.00 10.54 C ATOM 1078 C GLU A 69 -12.012 3.777 -7.714 1.00 42.12 C ATOM 1079 O GLU A 69 -12.342 2.614 -7.943 1.00 30.11 O ATOM 1080 CB GLU A 69 -12.134 4.805 -5.436 1.00 72.24 C ATOM 1081 CG GLU A 69 -11.595 4.761 -4.017 1.00 1.34 C ATOM 1082 CD GLU A 69 -11.716 3.386 -3.389 1.00 65.44 C ATOM 1083 OE1 GLU A 69 -12.856 2.894 -3.254 1.00 41.12 O ATOM 1084 OE2 GLU A 69 -10.670 2.801 -3.034 1.00 15.15 O ATOM 0 H GLU A 69 -10.199 5.965 -6.458 1.00 44.12 H new ATOM 0 HA GLU A 69 -10.817 3.213 -6.033 1.00 10.54 H new ATOM 0 HB2 GLU A 69 -12.287 5.845 -5.725 1.00 72.24 H new ATOM 0 HB3 GLU A 69 -13.110 4.320 -5.460 1.00 72.24 H new ATOM 0 HG2 GLU A 69 -10.548 5.064 -4.021 1.00 1.34 H new ATOM 0 HG3 GLU A 69 -12.134 5.484 -3.405 1.00 1.34 H new ATOM 1091 N GLU A 70 -12.316 4.788 -8.522 1.00 50.54 N ATOM 1092 CA GLU A 70 -13.073 4.583 -9.751 1.00 62.30 C ATOM 1093 C GLU A 70 -12.279 3.737 -10.744 1.00 13.13 C ATOM 1094 O GLU A 70 -12.840 3.179 -11.686 1.00 72.45 O ATOM 1095 CB GLU A 70 -13.434 5.927 -10.385 1.00 13.41 C ATOM 1096 CG GLU A 70 -14.301 6.805 -9.498 1.00 30.10 C ATOM 1097 CD GLU A 70 -15.777 6.482 -9.624 1.00 13.43 C ATOM 1098 OE1 GLU A 70 -16.126 5.284 -9.602 1.00 33.03 O ATOM 1099 OE2 GLU A 70 -16.584 7.428 -9.744 1.00 42.13 O ATOM 0 H GLU A 70 -12.050 5.757 -8.347 1.00 50.54 H new ATOM 0 HA GLU A 70 -13.990 4.051 -9.498 1.00 62.30 H new ATOM 0 HB2 GLU A 70 -12.516 6.463 -10.627 1.00 13.41 H new ATOM 0 HB3 GLU A 70 -13.956 5.747 -11.325 1.00 13.41 H new ATOM 0 HG2 GLU A 70 -13.993 6.683 -8.460 1.00 30.10 H new ATOM 0 HG3 GLU A 70 -14.138 7.851 -9.758 1.00 30.10 H new ATOM 1106 N ILE A 71 -10.972 3.649 -10.524 1.00 30.33 N ATOM 1107 CA ILE A 71 -10.101 2.872 -11.397 1.00 73.31 C ATOM 1108 C ILE A 71 -9.872 1.470 -10.840 1.00 53.55 C ATOM 1109 O ILE A 71 -9.827 0.493 -11.586 1.00 71.33 O ATOM 1110 CB ILE A 71 -8.740 3.563 -11.595 1.00 40.03 C ATOM 1111 CG1 ILE A 71 -8.932 4.948 -12.217 1.00 64.15 C ATOM 1112 CG2 ILE A 71 -7.832 2.706 -12.466 1.00 11.44 C ATOM 1113 CD1 ILE A 71 -7.829 5.923 -11.870 1.00 44.22 C ATOM 0 H ILE A 71 -10.493 4.106 -9.748 1.00 30.33 H new ATOM 0 HA ILE A 71 -10.605 2.799 -12.361 1.00 73.31 H new ATOM 0 HB ILE A 71 -8.266 3.685 -10.621 1.00 40.03 H new ATOM 0 HG12 ILE A 71 -8.989 4.846 -13.301 1.00 64.15 H new ATOM 0 HG13 ILE A 71 -9.886 5.358 -11.885 1.00 64.15 H new ATOM 0 HG21 ILE A 71 -6.873 3.208 -12.597 1.00 11.44 H new ATOM 0 HG22 ILE A 71 -7.673 1.740 -11.986 1.00 11.44 H new ATOM 0 HG23 ILE A 71 -8.298 2.555 -13.440 1.00 11.44 H new ATOM 0 HD11 ILE A 71 -8.030 6.884 -12.344 1.00 44.22 H new ATOM 0 HD12 ILE A 71 -7.786 6.054 -10.789 1.00 44.22 H new ATOM 0 HD13 ILE A 71 -6.875 5.535 -12.226 1.00 44.22 H new ATOM 1125 N THR A 72 -9.728 1.381 -9.522 1.00 20.23 N ATOM 1126 CA THR A 72 -9.503 0.100 -8.863 1.00 53.40 C ATOM 1127 C THR A 72 -10.733 -0.795 -8.968 1.00 75.41 C ATOM 1128 O THR A 72 -10.618 -2.006 -9.157 1.00 1.20 O ATOM 1129 CB THR A 72 -9.145 0.288 -7.377 1.00 12.14 C ATOM 1130 OG1 THR A 72 -10.077 1.182 -6.757 1.00 62.50 O ATOM 1131 CG2 THR A 72 -7.734 0.834 -7.226 1.00 45.30 C ATOM 0 H THR A 72 -9.763 2.180 -8.890 1.00 20.23 H new ATOM 0 HA THR A 72 -8.666 -0.376 -9.373 1.00 53.40 H new ATOM 0 HB THR A 72 -9.196 -0.685 -6.888 1.00 12.14 H new ATOM 0 HG1 THR A 72 -10.748 1.462 -7.414 1.00 62.50 H new ATOM 0 HG21 THR A 72 -7.503 0.959 -6.168 1.00 45.30 H new ATOM 0 HG22 THR A 72 -7.025 0.137 -7.672 1.00 45.30 H new ATOM 0 HG23 THR A 72 -7.661 1.798 -7.729 1.00 45.30 H new ATOM 1139 N LYS A 73 -11.910 -0.192 -8.844 1.00 54.11 N ATOM 1140 CA LYS A 73 -13.163 -0.934 -8.927 1.00 53.32 C ATOM 1141 C LYS A 73 -13.198 -1.803 -10.180 1.00 73.13 C ATOM 1142 O LYS A 73 -13.295 -3.028 -10.112 1.00 60.04 O ATOM 1143 CB LYS A 73 -14.351 0.031 -8.929 1.00 73.22 C ATOM 1144 CG LYS A 73 -15.126 0.043 -7.623 1.00 31.32 C ATOM 1145 CD LYS A 73 -16.604 -0.228 -7.849 1.00 11.14 C ATOM 1146 CE LYS A 73 -17.453 0.341 -6.722 1.00 14.13 C ATOM 1147 NZ LYS A 73 -18.617 1.113 -7.239 1.00 70.24 N ATOM 0 H LYS A 73 -12.023 0.809 -8.686 1.00 54.11 H new ATOM 0 HA LYS A 73 -13.231 -1.583 -8.054 1.00 53.32 H new ATOM 0 HB2 LYS A 73 -13.990 1.038 -9.137 1.00 73.22 H new ATOM 0 HB3 LYS A 73 -15.027 -0.239 -9.740 1.00 73.22 H new ATOM 0 HG2 LYS A 73 -14.716 -0.709 -6.949 1.00 31.32 H new ATOM 0 HG3 LYS A 73 -15.003 1.010 -7.135 1.00 31.32 H new ATOM 0 HD2 LYS A 73 -16.915 0.211 -8.797 1.00 11.14 H new ATOM 0 HD3 LYS A 73 -16.771 -1.302 -7.925 1.00 11.14 H new ATOM 0 HE2 LYS A 73 -17.809 -0.472 -6.089 1.00 14.13 H new ATOM 0 HE3 LYS A 73 -16.838 0.987 -6.095 1.00 14.13 H new ATOM 0 HZ1 LYS A 73 -19.170 1.484 -6.440 1.00 70.24 H new ATOM 0 HZ2 LYS A 73 -18.277 1.904 -7.822 1.00 70.24 H new ATOM 0 HZ3 LYS A 73 -19.218 0.491 -7.816 1.00 70.24 H new ATOM 1161 N PRO A 74 -13.117 -1.156 -11.352 1.00 51.05 N ATOM 1162 CA PRO A 74 -13.137 -1.851 -12.643 1.00 20.32 C ATOM 1163 C PRO A 74 -11.864 -2.655 -12.888 1.00 21.14 C ATOM 1164 O PRO A 74 -11.896 -3.710 -13.522 1.00 72.22 O ATOM 1165 CB PRO A 74 -13.251 -0.711 -13.658 1.00 73.21 C ATOM 1166 CG PRO A 74 -12.671 0.472 -12.966 1.00 42.25 C ATOM 1167 CD PRO A 74 -13.000 0.303 -11.509 1.00 52.21 C ATOM 0 HA PRO A 74 -13.948 -2.576 -12.702 1.00 20.32 H new ATOM 0 HB2 PRO A 74 -12.706 -0.940 -14.574 1.00 73.21 H new ATOM 0 HB3 PRO A 74 -14.289 -0.535 -13.940 1.00 73.21 H new ATOM 0 HG2 PRO A 74 -11.593 0.524 -13.119 1.00 42.25 H new ATOM 0 HG3 PRO A 74 -13.093 1.398 -13.356 1.00 42.25 H new ATOM 0 HD2 PRO A 74 -12.218 0.714 -10.870 1.00 52.21 H new ATOM 0 HD3 PRO A 74 -13.928 0.811 -11.245 1.00 52.21 H new ATOM 1175 N LYS A 75 -10.745 -2.151 -12.379 1.00 65.12 N ATOM 1176 CA LYS A 75 -9.460 -2.823 -12.540 1.00 33.22 C ATOM 1177 C LYS A 75 -9.457 -4.170 -11.822 1.00 53.44 C ATOM 1178 O LYS A 75 -8.840 -5.128 -12.284 1.00 72.32 O ATOM 1179 CB LYS A 75 -8.330 -1.944 -12.001 1.00 33.03 C ATOM 1180 CG LYS A 75 -6.951 -2.556 -12.166 1.00 64.42 C ATOM 1181 CD LYS A 75 -6.352 -2.224 -13.523 1.00 0.22 C ATOM 1182 CE LYS A 75 -5.466 -3.350 -14.032 1.00 44.12 C ATOM 1183 NZ LYS A 75 -5.810 -3.738 -15.429 1.00 14.40 N ATOM 0 H LYS A 75 -10.701 -1.279 -11.851 1.00 65.12 H new ATOM 0 HA LYS A 75 -9.300 -2.997 -13.604 1.00 33.22 H new ATOM 0 HB2 LYS A 75 -8.355 -0.982 -12.512 1.00 33.03 H new ATOM 0 HB3 LYS A 75 -8.507 -1.748 -10.943 1.00 33.03 H new ATOM 0 HG2 LYS A 75 -6.293 -2.190 -11.378 1.00 64.42 H new ATOM 0 HG3 LYS A 75 -7.016 -3.638 -12.051 1.00 64.42 H new ATOM 0 HD2 LYS A 75 -7.152 -2.037 -14.239 1.00 0.22 H new ATOM 0 HD3 LYS A 75 -5.769 -1.306 -13.450 1.00 0.22 H new ATOM 0 HE2 LYS A 75 -4.422 -3.039 -13.988 1.00 44.12 H new ATOM 0 HE3 LYS A 75 -5.568 -4.216 -13.379 1.00 44.12 H new ATOM 0 HZ1 LYS A 75 -5.184 -4.508 -15.740 1.00 14.40 H new ATOM 0 HZ2 LYS A 75 -6.799 -4.059 -15.467 1.00 14.40 H new ATOM 0 HZ3 LYS A 75 -5.688 -2.918 -16.057 1.00 14.40 H new ATOM 1197 N GLY A 76 -10.153 -4.234 -10.690 1.00 73.44 N ATOM 1198 CA GLY A 76 -10.218 -5.468 -9.930 1.00 4.24 C ATOM 1199 C GLY A 76 -8.931 -5.756 -9.182 1.00 53.31 C ATOM 1200 O GLY A 76 -8.266 -6.760 -9.442 1.00 3.14 O ATOM 0 H GLY A 76 -10.672 -3.454 -10.287 1.00 73.44 H new ATOM 0 HA2 GLY A 76 -11.043 -5.411 -9.220 1.00 4.24 H new ATOM 0 HA3 GLY A 76 -10.436 -6.296 -10.605 1.00 4.24 H new ATOM 1204 N ILE A 77 -8.579 -4.874 -8.253 1.00 5.14 N ATOM 1205 CA ILE A 77 -7.362 -5.039 -7.466 1.00 61.12 C ATOM 1206 C ILE A 77 -7.565 -4.561 -6.033 1.00 54.11 C ATOM 1207 O ILE A 77 -8.408 -3.709 -5.751 1.00 3.54 O ATOM 1208 CB ILE A 77 -6.180 -4.273 -8.089 1.00 73.13 C ATOM 1209 CG1 ILE A 77 -6.557 -2.807 -8.314 1.00 65.12 C ATOM 1210 CG2 ILE A 77 -5.758 -4.924 -9.398 1.00 32.22 C ATOM 1211 CD1 ILE A 77 -5.691 -1.836 -7.542 1.00 45.42 C ATOM 0 H ILE A 77 -9.118 -4.038 -8.026 1.00 5.14 H new ATOM 0 HA ILE A 77 -7.131 -6.104 -7.462 1.00 61.12 H new ATOM 0 HB ILE A 77 -5.337 -4.311 -7.399 1.00 73.13 H new ATOM 0 HG12 ILE A 77 -6.484 -2.580 -9.378 1.00 65.12 H new ATOM 0 HG13 ILE A 77 -7.598 -2.660 -8.028 1.00 65.12 H new ATOM 0 HG21 ILE A 77 -4.922 -4.371 -9.826 1.00 32.22 H new ATOM 0 HG22 ILE A 77 -5.454 -5.954 -9.211 1.00 32.22 H new ATOM 0 HG23 ILE A 77 -6.595 -4.914 -10.096 1.00 32.22 H new ATOM 0 HD11 ILE A 77 -6.015 -0.816 -7.749 1.00 45.42 H new ATOM 0 HD12 ILE A 77 -5.783 -2.036 -6.474 1.00 45.42 H new ATOM 0 HD13 ILE A 77 -4.651 -1.955 -7.845 1.00 45.42 H new ATOM 1223 N PRO A 78 -6.774 -5.119 -5.105 1.00 32.01 N ATOM 1224 CA PRO A 78 -6.846 -4.762 -3.684 1.00 70.03 C ATOM 1225 C PRO A 78 -6.334 -3.352 -3.414 1.00 65.15 C ATOM 1226 O PRO A 78 -5.147 -3.070 -3.585 1.00 61.23 O ATOM 1227 CB PRO A 78 -5.942 -5.798 -3.012 1.00 64.32 C ATOM 1228 CG PRO A 78 -4.985 -6.213 -4.077 1.00 23.31 C ATOM 1229 CD PRO A 78 -5.747 -6.141 -5.371 1.00 33.11 C ATOM 0 HA PRO A 78 -7.871 -4.767 -3.314 1.00 70.03 H new ATOM 0 HB2 PRO A 78 -5.420 -5.372 -2.155 1.00 64.32 H new ATOM 0 HB3 PRO A 78 -6.518 -6.647 -2.644 1.00 64.32 H new ATOM 0 HG2 PRO A 78 -4.116 -5.555 -4.099 1.00 23.31 H new ATOM 0 HG3 PRO A 78 -4.616 -7.223 -3.898 1.00 23.31 H new ATOM 0 HD2 PRO A 78 -5.102 -5.856 -6.202 1.00 33.11 H new ATOM 0 HD3 PRO A 78 -6.193 -7.102 -5.629 1.00 33.11 H new ATOM 1237 N ILE A 79 -7.233 -2.471 -2.992 1.00 51.31 N ATOM 1238 CA ILE A 79 -6.870 -1.091 -2.696 1.00 12.53 C ATOM 1239 C ILE A 79 -7.354 -0.680 -1.310 1.00 25.43 C ATOM 1240 O ILE A 79 -8.554 -0.653 -1.043 1.00 35.02 O ATOM 1241 CB ILE A 79 -7.454 -0.119 -3.739 1.00 72.20 C ATOM 1242 CG1 ILE A 79 -7.154 1.327 -3.345 1.00 11.52 C ATOM 1243 CG2 ILE A 79 -8.954 -0.335 -3.882 1.00 42.03 C ATOM 1244 CD1 ILE A 79 -5.678 1.614 -3.178 1.00 14.31 C ATOM 0 H ILE A 79 -8.219 -2.688 -2.847 1.00 51.31 H new ATOM 0 HA ILE A 79 -5.782 -1.038 -2.729 1.00 12.53 H new ATOM 0 HB ILE A 79 -6.984 -0.318 -4.702 1.00 72.20 H new ATOM 0 HG12 ILE A 79 -7.562 1.994 -4.104 1.00 11.52 H new ATOM 0 HG13 ILE A 79 -7.668 1.555 -2.411 1.00 11.52 H new ATOM 0 HG21 ILE A 79 -9.353 0.359 -4.622 1.00 42.03 H new ATOM 0 HG22 ILE A 79 -9.145 -1.359 -4.204 1.00 42.03 H new ATOM 0 HG23 ILE A 79 -9.440 -0.160 -2.922 1.00 42.03 H new ATOM 0 HD11 ILE A 79 -5.540 2.658 -2.898 1.00 14.31 H new ATOM 0 HD12 ILE A 79 -5.269 0.972 -2.398 1.00 14.31 H new ATOM 0 HD13 ILE A 79 -5.161 1.418 -4.117 1.00 14.31 H new ATOM 1256 N GLU A 80 -6.409 -0.359 -0.430 1.00 61.31 N ATOM 1257 CA GLU A 80 -6.738 0.051 0.929 1.00 71.42 C ATOM 1258 C GLU A 80 -6.256 1.473 1.201 1.00 60.32 C ATOM 1259 O GLU A 80 -5.517 2.052 0.402 1.00 31.15 O ATOM 1260 CB GLU A 80 -6.116 -0.912 1.942 1.00 1.12 C ATOM 1261 CG GLU A 80 -7.059 -1.310 3.065 1.00 51.34 C ATOM 1262 CD GLU A 80 -8.317 -1.987 2.557 1.00 41.34 C ATOM 1263 OE1 GLU A 80 -8.339 -2.390 1.375 1.00 42.41 O ATOM 1264 OE2 GLU A 80 -9.280 -2.115 3.342 1.00 14.21 O ATOM 0 H GLU A 80 -5.410 -0.375 -0.635 1.00 61.31 H new ATOM 0 HA GLU A 80 -7.823 0.027 1.035 1.00 71.42 H new ATOM 0 HB2 GLU A 80 -5.786 -1.811 1.421 1.00 1.12 H new ATOM 0 HB3 GLU A 80 -5.228 -0.449 2.372 1.00 1.12 H new ATOM 0 HG2 GLU A 80 -6.540 -1.982 3.749 1.00 51.34 H new ATOM 0 HG3 GLU A 80 -7.333 -0.423 3.636 1.00 51.34 H new ATOM 1271 N ILE A 81 -6.680 2.030 2.330 1.00 71.13 N ATOM 1272 CA ILE A 81 -6.291 3.383 2.706 1.00 2.11 C ATOM 1273 C ILE A 81 -5.849 3.443 4.165 1.00 32.01 C ATOM 1274 O ILE A 81 -6.528 2.921 5.051 1.00 52.53 O ATOM 1275 CB ILE A 81 -7.444 4.381 2.490 1.00 73.03 C ATOM 1276 CG1 ILE A 81 -7.923 4.333 1.037 1.00 42.52 C ATOM 1277 CG2 ILE A 81 -7.003 5.789 2.863 1.00 73.14 C ATOM 1278 CD1 ILE A 81 -9.131 5.203 0.771 1.00 61.53 C ATOM 0 H ILE A 81 -7.293 1.565 3.000 1.00 71.13 H new ATOM 0 HA ILE A 81 -5.455 3.661 2.064 1.00 2.11 H new ATOM 0 HB ILE A 81 -8.275 4.099 3.136 1.00 73.03 H new ATOM 0 HG12 ILE A 81 -7.109 4.646 0.384 1.00 42.52 H new ATOM 0 HG13 ILE A 81 -8.163 3.302 0.776 1.00 42.52 H new ATOM 0 HG21 ILE A 81 -7.829 6.483 2.705 1.00 73.14 H new ATOM 0 HG22 ILE A 81 -6.706 5.811 3.911 1.00 73.14 H new ATOM 0 HG23 ILE A 81 -6.158 6.083 2.240 1.00 73.14 H new ATOM 0 HD11 ILE A 81 -9.415 5.120 -0.278 1.00 61.53 H new ATOM 0 HD12 ILE A 81 -9.960 4.876 1.399 1.00 61.53 H new ATOM 0 HD13 ILE A 81 -8.890 6.241 1.000 1.00 61.53 H new ATOM 1290 N ILE A 82 -4.710 4.082 4.407 1.00 3.42 N ATOM 1291 CA ILE A 82 -4.180 4.212 5.758 1.00 0.13 C ATOM 1292 C ILE A 82 -4.943 5.270 6.549 1.00 45.54 C ATOM 1293 O ILE A 82 -4.983 6.437 6.162 1.00 1.42 O ATOM 1294 CB ILE A 82 -2.684 4.577 5.743 1.00 3.32 C ATOM 1295 CG1 ILE A 82 -1.919 3.649 4.798 1.00 33.11 C ATOM 1296 CG2 ILE A 82 -2.106 4.503 7.148 1.00 1.15 C ATOM 1297 CD1 ILE A 82 -0.453 3.999 4.662 1.00 73.52 C ATOM 0 H ILE A 82 -4.136 4.518 3.685 1.00 3.42 H new ATOM 0 HA ILE A 82 -4.304 3.242 6.240 1.00 0.13 H new ATOM 0 HB ILE A 82 -2.579 5.600 5.381 1.00 3.32 H new ATOM 0 HG12 ILE A 82 -2.008 2.624 5.158 1.00 33.11 H new ATOM 0 HG13 ILE A 82 -2.385 3.682 3.813 1.00 33.11 H new ATOM 0 HG21 ILE A 82 -1.048 4.764 7.120 1.00 1.15 H new ATOM 0 HG22 ILE A 82 -2.635 5.201 7.796 1.00 1.15 H new ATOM 0 HG23 ILE A 82 -2.220 3.491 7.536 1.00 1.15 H new ATOM 0 HD11 ILE A 82 0.026 3.299 3.977 1.00 73.52 H new ATOM 0 HD12 ILE A 82 -0.355 5.012 4.273 1.00 73.52 H new ATOM 0 HD13 ILE A 82 0.028 3.938 5.638 1.00 73.52 H new ATOM 1309 N ASN A 83 -5.544 4.854 7.658 1.00 65.11 N ATOM 1310 CA ASN A 83 -6.305 5.766 8.504 1.00 64.51 C ATOM 1311 C ASN A 83 -5.401 6.852 9.082 1.00 72.01 C ATOM 1312 O ASN A 83 -4.210 6.633 9.301 1.00 62.25 O ATOM 1313 CB ASN A 83 -6.985 4.996 9.637 1.00 2.24 C ATOM 1314 CG ASN A 83 -8.490 4.926 9.467 1.00 73.14 C ATOM 1315 OD1 ASN A 83 -9.007 4.040 8.785 1.00 12.43 O ATOM 1316 ND2 ASN A 83 -9.200 5.861 10.087 1.00 24.30 N ATOM 0 H ASN A 83 -5.519 3.891 7.992 1.00 65.11 H new ATOM 0 HA ASN A 83 -7.068 6.242 7.889 1.00 64.51 H new ATOM 0 HB2 ASN A 83 -6.580 3.985 9.680 1.00 2.24 H new ATOM 0 HB3 ASN A 83 -6.751 5.474 10.588 1.00 2.24 H new ATOM 0 HD21 ASN A 83 -10.217 5.865 10.009 1.00 24.30 H new ATOM 0 HD22 ASN A 83 -8.728 6.576 10.641 1.00 24.30 H new ATOM 1323 N THR A 84 -5.979 8.024 9.328 1.00 65.11 N ATOM 1324 CA THR A 84 -5.227 9.144 9.879 1.00 2.23 C ATOM 1325 C THR A 84 -4.469 8.733 11.136 1.00 71.40 C ATOM 1326 O THR A 84 -3.337 9.163 11.359 1.00 52.02 O ATOM 1327 CB THR A 84 -6.152 10.329 10.217 1.00 73.02 C ATOM 1328 OG1 THR A 84 -7.409 10.176 9.548 1.00 4.25 O ATOM 1329 CG2 THR A 84 -5.512 11.648 9.810 1.00 53.25 C ATOM 0 H THR A 84 -6.965 8.222 9.154 1.00 65.11 H new ATOM 0 HA THR A 84 -4.515 9.453 9.114 1.00 2.23 H new ATOM 0 HB THR A 84 -6.314 10.339 11.295 1.00 73.02 H new ATOM 0 HG1 THR A 84 -7.992 10.932 9.769 1.00 4.25 H new ATOM 0 HG21 THR A 84 -6.183 12.470 10.058 1.00 53.25 H new ATOM 0 HG22 THR A 84 -4.570 11.775 10.343 1.00 53.25 H new ATOM 0 HG23 THR A 84 -5.324 11.645 8.736 1.00 53.25 H new ATOM 1337 N ILE A 85 -5.099 7.896 11.955 1.00 43.21 N ATOM 1338 CA ILE A 85 -4.482 7.426 13.188 1.00 65.33 C ATOM 1339 C ILE A 85 -3.281 6.532 12.896 1.00 34.10 C ATOM 1340 O ILE A 85 -2.164 6.814 13.331 1.00 72.41 O ATOM 1341 CB ILE A 85 -5.486 6.647 14.059 1.00 54.41 C ATOM 1342 CG1 ILE A 85 -6.745 7.485 14.295 1.00 75.44 C ATOM 1343 CG2 ILE A 85 -4.848 6.256 15.383 1.00 1.12 C ATOM 1344 CD1 ILE A 85 -7.841 6.737 15.022 1.00 3.14 C ATOM 0 H ILE A 85 -6.036 7.530 11.786 1.00 43.21 H new ATOM 0 HA ILE A 85 -4.151 8.311 13.732 1.00 65.33 H new ATOM 0 HB ILE A 85 -5.771 5.736 13.533 1.00 54.41 H new ATOM 0 HG12 ILE A 85 -6.479 8.372 14.870 1.00 75.44 H new ATOM 0 HG13 ILE A 85 -7.127 7.830 13.334 1.00 75.44 H new ATOM 0 HG21 ILE A 85 -5.570 5.706 15.987 1.00 1.12 H new ATOM 0 HG22 ILE A 85 -3.978 5.627 15.196 1.00 1.12 H new ATOM 0 HG23 ILE A 85 -4.538 7.154 15.917 1.00 1.12 H new ATOM 0 HD11 ILE A 85 -8.702 7.392 15.155 1.00 3.14 H new ATOM 0 HD12 ILE A 85 -8.135 5.865 14.438 1.00 3.14 H new ATOM 0 HD13 ILE A 85 -7.476 6.415 15.997 1.00 3.14 H new ATOM 1356 N ASP A 86 -3.518 5.455 12.155 1.00 33.11 N ATOM 1357 CA ASP A 86 -2.456 4.521 11.802 1.00 61.12 C ATOM 1358 C ASP A 86 -1.312 5.242 11.094 1.00 62.03 C ATOM 1359 O ASP A 86 -0.141 4.928 11.308 1.00 51.22 O ATOM 1360 CB ASP A 86 -3.003 3.407 10.907 1.00 34.34 C ATOM 1361 CG ASP A 86 -3.668 2.301 11.703 1.00 23.20 C ATOM 1362 OD1 ASP A 86 -4.127 2.575 12.832 1.00 33.44 O ATOM 1363 OD2 ASP A 86 -3.728 1.161 11.197 1.00 42.11 O ATOM 0 H ASP A 86 -4.437 5.207 11.787 1.00 33.11 H new ATOM 0 HA ASP A 86 -2.072 4.082 12.723 1.00 61.12 H new ATOM 0 HB2 ASP A 86 -3.722 3.829 10.205 1.00 34.34 H new ATOM 0 HB3 ASP A 86 -2.189 2.987 10.316 1.00 34.34 H new ATOM 1368 N TYR A 87 -1.660 6.207 10.251 1.00 52.31 N ATOM 1369 CA TYR A 87 -0.663 6.970 9.509 1.00 63.45 C ATOM 1370 C TYR A 87 0.204 7.798 10.453 1.00 33.52 C ATOM 1371 O TYR A 87 1.414 7.598 10.538 1.00 41.23 O ATOM 1372 CB TYR A 87 -1.345 7.885 8.490 1.00 30.33 C ATOM 1373 CG TYR A 87 -0.378 8.734 7.696 1.00 24.32 C ATOM 1374 CD1 TYR A 87 0.292 8.214 6.595 1.00 31.01 C ATOM 1375 CD2 TYR A 87 -0.131 10.055 8.048 1.00 13.13 C ATOM 1376 CE1 TYR A 87 1.177 8.986 5.867 1.00 35.40 C ATOM 1377 CE2 TYR A 87 0.750 10.835 7.325 1.00 65.30 C ATOM 1378 CZ TYR A 87 1.402 10.295 6.236 1.00 5.00 C ATOM 1379 OH TYR A 87 2.284 11.068 5.514 1.00 74.11 O ATOM 0 H TYR A 87 -2.625 6.480 10.064 1.00 52.31 H new ATOM 0 HA TYR A 87 -0.021 6.264 8.982 1.00 63.45 H new ATOM 0 HB2 TYR A 87 -1.930 7.275 7.801 1.00 30.33 H new ATOM 0 HB3 TYR A 87 -2.045 8.538 9.012 1.00 30.33 H new ATOM 0 HD1 TYR A 87 0.118 7.189 6.303 1.00 31.01 H new ATOM 0 HD2 TYR A 87 -0.637 10.480 8.902 1.00 13.13 H new ATOM 0 HE1 TYR A 87 1.689 8.566 5.014 1.00 35.40 H new ATOM 0 HE2 TYR A 87 0.927 11.861 7.610 1.00 65.30 H new ATOM 0 HH TYR A 87 2.139 10.921 4.556 1.00 74.11 H new ATOM 1389 N GLY A 88 -0.428 8.727 11.163 1.00 14.22 N ATOM 1390 CA GLY A 88 0.299 9.572 12.093 1.00 11.21 C ATOM 1391 C GLY A 88 1.124 8.771 13.079 1.00 23.15 C ATOM 1392 O GLY A 88 2.201 9.201 13.494 1.00 4.32 O ATOM 0 H GLY A 88 -1.430 8.910 11.111 1.00 14.22 H new ATOM 0 HA2 GLY A 88 0.954 10.242 11.535 1.00 11.21 H new ATOM 0 HA3 GLY A 88 -0.407 10.198 12.639 1.00 11.21 H new ATOM 1396 N THR A 89 0.620 7.601 13.459 1.00 31.44 N ATOM 1397 CA THR A 89 1.317 6.738 14.406 1.00 53.23 C ATOM 1398 C THR A 89 2.435 5.961 13.721 1.00 52.23 C ATOM 1399 O THR A 89 3.397 5.544 14.364 1.00 31.50 O ATOM 1400 CB THR A 89 0.350 5.743 15.075 1.00 21.14 C ATOM 1401 OG1 THR A 89 -0.246 4.898 14.085 1.00 32.34 O ATOM 1402 CG2 THR A 89 -0.739 6.479 15.842 1.00 24.02 C ATOM 0 H THR A 89 -0.269 7.229 13.125 1.00 31.44 H new ATOM 0 HA THR A 89 1.745 7.387 15.170 1.00 53.23 H new ATOM 0 HB THR A 89 0.919 5.134 15.777 1.00 21.14 H new ATOM 0 HG1 THR A 89 -0.061 3.960 14.301 1.00 32.34 H new ATOM 0 HG21 THR A 89 -1.410 5.756 16.306 1.00 24.02 H new ATOM 0 HG22 THR A 89 -0.284 7.099 16.614 1.00 24.02 H new ATOM 0 HG23 THR A 89 -1.304 7.110 15.156 1.00 24.02 H new ATOM 1410 N MET A 90 2.301 5.770 12.412 1.00 15.11 N ATOM 1411 CA MET A 90 3.303 5.044 11.640 1.00 13.02 C ATOM 1412 C MET A 90 3.402 3.594 12.106 1.00 52.11 C ATOM 1413 O MET A 90 4.437 3.165 12.613 1.00 0.40 O ATOM 1414 CB MET A 90 4.667 5.726 11.764 1.00 75.44 C ATOM 1415 CG MET A 90 4.614 7.230 11.552 1.00 24.51 C ATOM 1416 SD MET A 90 5.091 8.155 13.024 1.00 1.04 S ATOM 1417 CE MET A 90 6.762 7.558 13.274 1.00 53.13 C ATOM 0 H MET A 90 1.509 6.108 11.865 1.00 15.11 H new ATOM 0 HA MET A 90 2.995 5.051 10.594 1.00 13.02 H new ATOM 0 HB2 MET A 90 5.079 5.521 12.752 1.00 75.44 H new ATOM 0 HB3 MET A 90 5.351 5.288 11.037 1.00 75.44 H new ATOM 0 HG2 MET A 90 5.274 7.500 10.728 1.00 24.51 H new ATOM 0 HG3 MET A 90 3.604 7.516 11.259 1.00 24.51 H new ATOM 0 HE1 MET A 90 6.912 7.327 14.329 1.00 53.13 H new ATOM 0 HE2 MET A 90 6.920 6.658 12.679 1.00 53.13 H new ATOM 0 HE3 MET A 90 7.472 8.325 12.966 1.00 53.13 H new ATOM 1427 N ASN A 91 2.318 2.845 11.928 1.00 1.35 N ATOM 1428 CA ASN A 91 2.283 1.444 12.332 1.00 30.11 C ATOM 1429 C ASN A 91 2.618 0.531 11.156 1.00 54.12 C ATOM 1430 O ASN A 91 1.728 0.051 10.456 1.00 12.04 O ATOM 1431 CB ASN A 91 0.906 1.087 12.893 1.00 53.33 C ATOM 1432 CG ASN A 91 0.865 1.147 14.408 1.00 54.35 C ATOM 1433 OD1 ASN A 91 0.404 2.130 14.988 1.00 4.13 O ATOM 1434 ND2 ASN A 91 1.349 0.093 15.054 1.00 14.51 N ATOM 0 H ASN A 91 1.453 3.185 11.507 1.00 1.35 H new ATOM 0 HA ASN A 91 3.033 1.297 13.109 1.00 30.11 H new ATOM 0 HB2 ASN A 91 0.162 1.771 12.485 1.00 53.33 H new ATOM 0 HB3 ASN A 91 0.632 0.085 12.564 1.00 53.33 H new ATOM 0 HD21 ASN A 91 1.349 0.076 16.074 1.00 14.51 H new ATOM 0 HD22 ASN A 91 1.721 -0.699 14.530 1.00 14.51 H new ATOM 1441 N GLY A 92 3.910 0.295 10.945 1.00 41.44 N ATOM 1442 CA GLY A 92 4.339 -0.559 9.854 1.00 4.11 C ATOM 1443 C GLY A 92 3.641 -1.904 9.861 1.00 4.22 C ATOM 1444 O GLY A 92 3.134 -2.352 8.834 1.00 73.02 O ATOM 0 H GLY A 92 4.666 0.680 11.511 1.00 41.44 H new ATOM 0 HA2 GLY A 92 4.145 -0.057 8.906 1.00 4.11 H new ATOM 0 HA3 GLY A 92 5.416 -0.712 9.919 1.00 4.11 H new ATOM 1448 N GLU A 93 3.617 -2.550 11.022 1.00 34.14 N ATOM 1449 CA GLU A 93 2.976 -3.854 11.157 1.00 3.32 C ATOM 1450 C GLU A 93 1.548 -3.817 10.624 1.00 51.55 C ATOM 1451 O GLU A 93 1.144 -4.672 9.836 1.00 43.13 O ATOM 1452 CB GLU A 93 2.974 -4.296 12.622 1.00 2.41 C ATOM 1453 CG GLU A 93 2.462 -5.711 12.830 1.00 31.20 C ATOM 1454 CD GLU A 93 2.545 -6.155 14.277 1.00 71.21 C ATOM 1455 OE1 GLU A 93 2.459 -5.288 15.170 1.00 33.11 O ATOM 1456 OE2 GLU A 93 2.697 -7.372 14.515 1.00 21.14 O ATOM 0 H GLU A 93 4.033 -2.193 11.882 1.00 34.14 H new ATOM 0 HA GLU A 93 3.546 -4.573 10.568 1.00 3.32 H new ATOM 0 HB2 GLU A 93 3.988 -4.224 13.016 1.00 2.41 H new ATOM 0 HB3 GLU A 93 2.358 -3.607 13.200 1.00 2.41 H new ATOM 0 HG2 GLU A 93 1.427 -5.772 12.494 1.00 31.20 H new ATOM 0 HG3 GLU A 93 3.039 -6.397 12.210 1.00 31.20 H new ATOM 1463 N LYS A 94 0.786 -2.819 11.060 1.00 74.23 N ATOM 1464 CA LYS A 94 -0.599 -2.668 10.627 1.00 43.34 C ATOM 1465 C LYS A 94 -0.677 -2.452 9.118 1.00 31.21 C ATOM 1466 O LYS A 94 -1.558 -2.992 8.449 1.00 11.55 O ATOM 1467 CB LYS A 94 -1.257 -1.493 11.354 1.00 22.52 C ATOM 1468 CG LYS A 94 -1.394 -1.705 12.852 1.00 23.14 C ATOM 1469 CD LYS A 94 -2.651 -2.488 13.192 1.00 44.12 C ATOM 1470 CE LYS A 94 -3.122 -2.197 14.609 1.00 73.32 C ATOM 1471 NZ LYS A 94 -4.567 -2.511 14.788 1.00 25.42 N ATOM 0 H LYS A 94 1.104 -2.103 11.713 1.00 74.23 H new ATOM 0 HA LYS A 94 -1.132 -3.586 10.874 1.00 43.34 H new ATOM 0 HB2 LYS A 94 -0.671 -0.592 11.175 1.00 22.52 H new ATOM 0 HB3 LYS A 94 -2.245 -1.320 10.928 1.00 22.52 H new ATOM 0 HG2 LYS A 94 -0.520 -2.238 13.226 1.00 23.14 H new ATOM 0 HG3 LYS A 94 -1.418 -0.739 13.356 1.00 23.14 H new ATOM 0 HD2 LYS A 94 -3.441 -2.235 12.485 1.00 44.12 H new ATOM 0 HD3 LYS A 94 -2.457 -3.555 13.084 1.00 44.12 H new ATOM 0 HE2 LYS A 94 -2.533 -2.782 15.315 1.00 73.32 H new ATOM 0 HE3 LYS A 94 -2.947 -1.147 14.842 1.00 73.32 H new ATOM 0 HZ1 LYS A 94 -4.850 -2.299 15.766 1.00 25.42 H new ATOM 0 HZ2 LYS A 94 -5.131 -1.934 14.132 1.00 25.42 H new ATOM 0 HZ3 LYS A 94 -4.730 -3.519 14.591 1.00 25.42 H new ATOM 1485 N VAL A 95 0.252 -1.662 8.589 1.00 71.54 N ATOM 1486 CA VAL A 95 0.290 -1.379 7.159 1.00 60.11 C ATOM 1487 C VAL A 95 0.476 -2.658 6.350 1.00 1.54 C ATOM 1488 O VAL A 95 -0.420 -3.077 5.616 1.00 11.33 O ATOM 1489 CB VAL A 95 1.423 -0.395 6.812 1.00 30.42 C ATOM 1490 CG1 VAL A 95 1.461 -0.131 5.315 1.00 63.41 C ATOM 1491 CG2 VAL A 95 1.257 0.904 7.586 1.00 32.45 C ATOM 0 H VAL A 95 0.988 -1.207 9.129 1.00 71.54 H new ATOM 0 HA VAL A 95 -0.667 -0.926 6.900 1.00 60.11 H new ATOM 0 HB VAL A 95 2.372 -0.845 7.102 1.00 30.42 H new ATOM 0 HG11 VAL A 95 2.268 0.566 5.089 1.00 63.41 H new ATOM 0 HG12 VAL A 95 1.632 -1.068 4.785 1.00 63.41 H new ATOM 0 HG13 VAL A 95 0.511 0.298 4.997 1.00 63.41 H new ATOM 0 HG21 VAL A 95 2.066 1.587 7.328 1.00 32.45 H new ATOM 0 HG22 VAL A 95 0.301 1.361 7.330 1.00 32.45 H new ATOM 0 HG23 VAL A 95 1.284 0.696 8.656 1.00 32.45 H new ATOM 1501 N LEU A 96 1.645 -3.273 6.488 1.00 72.22 N ATOM 1502 CA LEU A 96 1.950 -4.507 5.770 1.00 12.42 C ATOM 1503 C LEU A 96 0.859 -5.549 5.990 1.00 54.33 C ATOM 1504 O LEU A 96 0.474 -6.262 5.064 1.00 31.03 O ATOM 1505 CB LEU A 96 3.301 -5.062 6.222 1.00 24.24 C ATOM 1506 CG LEU A 96 3.505 -5.184 7.732 1.00 33.34 C ATOM 1507 CD1 LEU A 96 3.261 -6.614 8.190 1.00 3.13 C ATOM 1508 CD2 LEU A 96 4.904 -4.730 8.120 1.00 0.31 C ATOM 0 H LEU A 96 2.397 -2.938 7.090 1.00 72.22 H new ATOM 0 HA LEU A 96 1.997 -4.277 4.706 1.00 12.42 H new ATOM 0 HB2 LEU A 96 3.433 -6.048 5.777 1.00 24.24 H new ATOM 0 HB3 LEU A 96 4.087 -4.423 5.820 1.00 24.24 H new ATOM 0 HG LEU A 96 2.783 -4.536 8.230 1.00 33.34 H new ATOM 0 HD11 LEU A 96 3.411 -6.682 9.268 1.00 3.13 H new ATOM 0 HD12 LEU A 96 2.239 -6.905 7.947 1.00 3.13 H new ATOM 0 HD13 LEU A 96 3.958 -7.282 7.684 1.00 3.13 H new ATOM 0 HD21 LEU A 96 5.031 -4.824 9.199 1.00 0.31 H new ATOM 0 HD22 LEU A 96 5.642 -5.351 7.612 1.00 0.31 H new ATOM 0 HD23 LEU A 96 5.043 -3.689 7.828 1.00 0.31 H new ATOM 1520 N GLN A 97 0.363 -5.628 7.221 1.00 61.41 N ATOM 1521 CA GLN A 97 -0.685 -6.583 7.562 1.00 42.23 C ATOM 1522 C GLN A 97 -1.951 -6.312 6.754 1.00 60.55 C ATOM 1523 O GLN A 97 -2.610 -7.241 6.284 1.00 30.34 O ATOM 1524 CB GLN A 97 -0.997 -6.518 9.057 1.00 1.21 C ATOM 1525 CG GLN A 97 -0.034 -7.321 9.916 1.00 44.41 C ATOM 1526 CD GLN A 97 -0.380 -8.796 9.958 1.00 4.14 C ATOM 1527 OE1 GLN A 97 -1.158 -9.239 10.804 1.00 54.35 O ATOM 1528 NE2 GLN A 97 0.198 -9.567 9.045 1.00 41.15 N ATOM 0 H GLN A 97 0.670 -5.043 7.998 1.00 61.41 H new ATOM 0 HA GLN A 97 -0.325 -7.582 7.317 1.00 42.23 H new ATOM 0 HB2 GLN A 97 -0.976 -5.477 9.379 1.00 1.21 H new ATOM 0 HB3 GLN A 97 -2.010 -6.883 9.224 1.00 1.21 H new ATOM 0 HG2 GLN A 97 0.978 -7.200 9.530 1.00 44.41 H new ATOM 0 HG3 GLN A 97 -0.038 -6.922 10.930 1.00 44.41 H new ATOM 0 HE21 GLN A 97 0.836 -9.158 8.362 1.00 41.15 H new ATOM 0 HE22 GLN A 97 0.004 -10.568 9.026 1.00 41.15 H new ATOM 1537 N LEU A 98 -2.284 -5.037 6.596 1.00 43.31 N ATOM 1538 CA LEU A 98 -3.471 -4.643 5.844 1.00 33.42 C ATOM 1539 C LEU A 98 -3.322 -4.994 4.368 1.00 52.25 C ATOM 1540 O LEU A 98 -4.184 -5.651 3.785 1.00 51.34 O ATOM 1541 CB LEU A 98 -3.725 -3.144 6.002 1.00 4.20 C ATOM 1542 CG LEU A 98 -5.063 -2.751 6.629 1.00 34.52 C ATOM 1543 CD1 LEU A 98 -5.235 -1.240 6.620 1.00 40.13 C ATOM 1544 CD2 LEU A 98 -6.214 -3.424 5.895 1.00 60.41 C ATOM 0 H LEU A 98 -1.749 -4.257 6.978 1.00 43.31 H new ATOM 0 HA LEU A 98 -4.323 -5.193 6.244 1.00 33.42 H new ATOM 0 HB2 LEU A 98 -2.924 -2.723 6.610 1.00 4.20 H new ATOM 0 HB3 LEU A 98 -3.657 -2.679 5.019 1.00 4.20 H new ATOM 0 HG LEU A 98 -5.070 -3.090 7.665 1.00 34.52 H new ATOM 0 HD11 LEU A 98 -6.193 -0.980 7.070 1.00 40.13 H new ATOM 0 HD12 LEU A 98 -4.429 -0.779 7.190 1.00 40.13 H new ATOM 0 HD13 LEU A 98 -5.206 -0.877 5.593 1.00 40.13 H new ATOM 0 HD21 LEU A 98 -7.158 -3.133 6.355 1.00 60.41 H new ATOM 0 HD22 LEU A 98 -6.209 -3.115 4.850 1.00 60.41 H new ATOM 0 HD23 LEU A 98 -6.100 -4.506 5.954 1.00 60.41 H new ATOM 1556 N ALA A 99 -2.221 -4.552 3.769 1.00 30.31 N ATOM 1557 CA ALA A 99 -1.956 -4.822 2.361 1.00 63.00 C ATOM 1558 C ALA A 99 -2.027 -6.316 2.066 1.00 74.41 C ATOM 1559 O ALA A 99 -2.762 -6.749 1.177 1.00 52.30 O ATOM 1560 CB ALA A 99 -0.596 -4.269 1.964 1.00 41.51 C ATOM 0 H ALA A 99 -1.498 -4.005 4.237 1.00 30.31 H new ATOM 0 HA ALA A 99 -2.725 -4.324 1.771 1.00 63.00 H new ATOM 0 HB1 ALA A 99 -0.412 -4.478 0.910 1.00 41.51 H new ATOM 0 HB2 ALA A 99 -0.579 -3.192 2.129 1.00 41.51 H new ATOM 0 HB3 ALA A 99 0.179 -4.741 2.568 1.00 41.51 H new ATOM 1566 N ILE A 100 -1.260 -7.101 2.815 1.00 0.53 N ATOM 1567 CA ILE A 100 -1.237 -8.547 2.634 1.00 44.31 C ATOM 1568 C ILE A 100 -2.625 -9.147 2.829 1.00 41.13 C ATOM 1569 O ILE A 100 -3.102 -9.915 1.995 1.00 32.44 O ATOM 1570 CB ILE A 100 -0.255 -9.221 3.610 1.00 35.44 C ATOM 1571 CG1 ILE A 100 1.155 -8.662 3.418 1.00 5.33 C ATOM 1572 CG2 ILE A 100 -0.266 -10.730 3.413 1.00 43.12 C ATOM 1573 CD1 ILE A 100 2.077 -8.931 4.587 1.00 21.20 C ATOM 0 H ILE A 100 -0.646 -6.759 3.554 1.00 0.53 H new ATOM 0 HA ILE A 100 -0.904 -8.732 1.613 1.00 44.31 H new ATOM 0 HB ILE A 100 -0.573 -9.005 4.630 1.00 35.44 H new ATOM 0 HG12 ILE A 100 1.589 -9.095 2.517 1.00 5.33 H new ATOM 0 HG13 ILE A 100 1.091 -7.586 3.256 1.00 5.33 H new ATOM 0 HG21 ILE A 100 0.433 -11.193 4.110 1.00 43.12 H new ATOM 0 HG22 ILE A 100 -1.270 -11.114 3.597 1.00 43.12 H new ATOM 0 HG23 ILE A 100 0.031 -10.966 2.391 1.00 43.12 H new ATOM 0 HD11 ILE A 100 3.059 -8.506 4.381 1.00 21.20 H new ATOM 0 HD12 ILE A 100 1.666 -8.474 5.487 1.00 21.20 H new ATOM 0 HD13 ILE A 100 2.171 -10.007 4.736 1.00 21.20 H new ATOM 1585 N ASN A 101 -3.269 -8.789 3.935 1.00 23.42 N ATOM 1586 CA ASN A 101 -4.603 -9.291 4.240 1.00 31.43 C ATOM 1587 C ASN A 101 -5.550 -9.065 3.066 1.00 72.34 C ATOM 1588 O ASN A 101 -6.237 -9.986 2.623 1.00 31.54 O ATOM 1589 CB ASN A 101 -5.154 -8.608 5.493 1.00 60.30 C ATOM 1590 CG ASN A 101 -6.640 -8.848 5.676 1.00 52.01 C ATOM 1591 OD1 ASN A 101 -7.158 -9.908 5.323 1.00 1.10 O ATOM 1592 ND2 ASN A 101 -7.334 -7.862 6.231 1.00 55.22 N ATOM 0 H ASN A 101 -2.888 -8.153 4.635 1.00 23.42 H new ATOM 0 HA ASN A 101 -4.528 -10.363 4.423 1.00 31.43 H new ATOM 0 HB2 ASN A 101 -4.619 -8.975 6.369 1.00 60.30 H new ATOM 0 HB3 ASN A 101 -4.967 -7.536 5.431 1.00 60.30 H new ATOM 0 HD21 ASN A 101 -8.338 -7.966 6.380 1.00 55.22 H new ATOM 0 HD22 ASN A 101 -6.864 -7.001 6.508 1.00 55.22 H new ATOM 1599 N ALA A 102 -5.581 -7.835 2.566 1.00 14.24 N ATOM 1600 CA ALA A 102 -6.442 -7.488 1.442 1.00 61.12 C ATOM 1601 C ALA A 102 -6.056 -8.273 0.193 1.00 53.23 C ATOM 1602 O ALA A 102 -6.918 -8.692 -0.580 1.00 65.03 O ATOM 1603 CB ALA A 102 -6.377 -5.992 1.169 1.00 33.51 C ATOM 0 H ALA A 102 -5.020 -7.061 2.922 1.00 14.24 H new ATOM 0 HA ALA A 102 -7.466 -7.754 1.705 1.00 61.12 H new ATOM 0 HB1 ALA A 102 -7.025 -5.747 0.327 1.00 33.51 H new ATOM 0 HB2 ALA A 102 -6.708 -5.446 2.052 1.00 33.51 H new ATOM 0 HB3 ALA A 102 -5.351 -5.710 0.932 1.00 33.51 H new ATOM 1609 N PHE A 103 -4.756 -8.467 0.000 1.00 62.30 N ATOM 1610 CA PHE A 103 -4.256 -9.200 -1.157 1.00 63.13 C ATOM 1611 C PHE A 103 -4.827 -10.614 -1.193 1.00 21.41 C ATOM 1612 O PHE A 103 -5.412 -11.034 -2.191 1.00 1.21 O ATOM 1613 CB PHE A 103 -2.726 -9.256 -1.130 1.00 31.04 C ATOM 1614 CG PHE A 103 -2.127 -9.881 -2.357 1.00 33.01 C ATOM 1615 CD1 PHE A 103 -2.385 -9.357 -3.614 1.00 1.25 C ATOM 1616 CD2 PHE A 103 -1.308 -10.994 -2.255 1.00 43.51 C ATOM 1617 CE1 PHE A 103 -1.835 -9.929 -4.746 1.00 22.04 C ATOM 1618 CE2 PHE A 103 -0.755 -11.570 -3.382 1.00 44.34 C ATOM 1619 CZ PHE A 103 -1.020 -11.038 -4.630 1.00 1.33 C ATOM 0 H PHE A 103 -4.029 -8.127 0.630 1.00 62.30 H new ATOM 0 HA PHE A 103 -4.578 -8.674 -2.056 1.00 63.13 H new ATOM 0 HB2 PHE A 103 -2.335 -8.244 -1.020 1.00 31.04 H new ATOM 0 HB3 PHE A 103 -2.406 -9.818 -0.253 1.00 31.04 H new ATOM 0 HD1 PHE A 103 -3.023 -8.491 -3.710 1.00 1.25 H new ATOM 0 HD2 PHE A 103 -1.100 -11.416 -1.283 1.00 43.51 H new ATOM 0 HE1 PHE A 103 -2.042 -9.509 -5.719 1.00 22.04 H new ATOM 0 HE2 PHE A 103 -0.116 -12.436 -3.288 1.00 44.34 H new ATOM 0 HZ PHE A 103 -0.591 -11.489 -5.513 1.00 1.33 H new ATOM 1629 N ASN A 104 -4.651 -11.346 -0.097 1.00 74.11 N ATOM 1630 CA ASN A 104 -5.148 -12.714 -0.003 1.00 51.51 C ATOM 1631 C ASN A 104 -6.669 -12.749 -0.109 1.00 55.21 C ATOM 1632 O ASN A 104 -7.233 -13.578 -0.821 1.00 73.24 O ATOM 1633 CB ASN A 104 -4.703 -13.350 1.315 1.00 61.34 C ATOM 1634 CG ASN A 104 -3.515 -14.277 1.137 1.00 72.40 C ATOM 1635 OD1 ASN A 104 -3.578 -15.247 0.381 1.00 51.14 O ATOM 1636 ND2 ASN A 104 -2.425 -13.983 1.836 1.00 32.13 N ATOM 0 H ASN A 104 -4.168 -11.015 0.738 1.00 74.11 H new ATOM 0 HA ASN A 104 -4.731 -13.284 -0.833 1.00 51.51 H new ATOM 0 HB2 ASN A 104 -4.445 -12.565 2.025 1.00 61.34 H new ATOM 0 HB3 ASN A 104 -5.535 -13.908 1.745 1.00 61.34 H new ATOM 0 HD21 ASN A 104 -1.595 -14.571 1.758 1.00 32.13 H new ATOM 0 HD22 ASN A 104 -2.417 -13.169 2.451 1.00 32.13 H new ATOM 1643 N ASN A 105 -7.328 -11.840 0.605 1.00 63.52 N ATOM 1644 CA ASN A 105 -8.784 -11.768 0.591 1.00 1.42 C ATOM 1645 C ASN A 105 -9.303 -11.520 -0.822 1.00 71.50 C ATOM 1646 O ASN A 105 -10.347 -12.043 -1.213 1.00 62.25 O ATOM 1647 CB ASN A 105 -9.269 -10.656 1.526 1.00 65.53 C ATOM 1648 CG ASN A 105 -10.005 -11.199 2.735 1.00 71.25 C ATOM 1649 OD1 ASN A 105 -9.489 -12.051 3.459 1.00 0.33 O ATOM 1650 ND2 ASN A 105 -11.218 -10.706 2.958 1.00 31.54 N ATOM 0 H ASN A 105 -6.877 -11.145 1.199 1.00 63.52 H new ATOM 0 HA ASN A 105 -9.174 -12.724 0.940 1.00 1.42 H new ATOM 0 HB2 ASN A 105 -8.415 -10.066 1.858 1.00 65.53 H new ATOM 0 HB3 ASN A 105 -9.926 -9.983 0.976 1.00 65.53 H new ATOM 0 HD21 ASN A 105 -11.762 -11.032 3.756 1.00 31.54 H new ATOM 0 HD22 ASN A 105 -11.605 -10.001 2.331 1.00 31.54 H new ATOM 1657 N LYS A 106 -8.566 -10.720 -1.586 1.00 72.31 N ATOM 1658 CA LYS A 106 -8.949 -10.404 -2.956 1.00 52.14 C ATOM 1659 C LYS A 106 -10.367 -9.842 -3.011 1.00 30.55 C ATOM 1660 O LYS A 106 -11.301 -10.529 -3.425 1.00 5.21 O ATOM 1661 CB LYS A 106 -8.850 -11.653 -3.837 1.00 11.52 C ATOM 1662 CG LYS A 106 -7.438 -11.955 -4.307 1.00 54.55 C ATOM 1663 CD LYS A 106 -7.428 -12.504 -5.724 1.00 52.11 C ATOM 1664 CE LYS A 106 -6.135 -13.245 -6.025 1.00 54.21 C ATOM 1665 NZ LYS A 106 -6.181 -14.656 -5.552 1.00 2.34 N ATOM 0 H LYS A 106 -7.699 -10.279 -1.278 1.00 72.31 H new ATOM 0 HA LYS A 106 -8.262 -9.646 -3.332 1.00 52.14 H new ATOM 0 HB2 LYS A 106 -9.230 -12.510 -3.282 1.00 11.52 H new ATOM 0 HB3 LYS A 106 -9.494 -11.526 -4.707 1.00 11.52 H new ATOM 0 HG2 LYS A 106 -6.837 -11.047 -4.263 1.00 54.55 H new ATOM 0 HG3 LYS A 106 -6.976 -12.676 -3.633 1.00 54.55 H new ATOM 0 HD2 LYS A 106 -8.275 -13.177 -5.861 1.00 52.11 H new ATOM 0 HD3 LYS A 106 -7.553 -11.686 -6.433 1.00 52.11 H new ATOM 0 HE2 LYS A 106 -5.948 -13.228 -7.099 1.00 54.21 H new ATOM 0 HE3 LYS A 106 -5.301 -12.729 -5.548 1.00 54.21 H new ATOM 0 HZ1 LYS A 106 -5.281 -15.127 -5.776 1.00 2.34 H new ATOM 0 HZ2 LYS A 106 -6.334 -14.673 -4.523 1.00 2.34 H new ATOM 0 HZ3 LYS A 106 -6.960 -15.156 -6.026 1.00 2.34 H new ATOM 1679 N SER A 107 -10.519 -8.591 -2.589 1.00 73.14 N ATOM 1680 CA SER A 107 -11.823 -7.939 -2.587 1.00 44.11 C ATOM 1681 C SER A 107 -11.708 -6.499 -2.098 1.00 14.44 C ATOM 1682 O SER A 107 -11.379 -6.250 -0.937 1.00 43.32 O ATOM 1683 CB SER A 107 -12.803 -8.713 -1.704 1.00 73.14 C ATOM 1684 OG SER A 107 -13.878 -9.231 -2.469 1.00 61.21 O ATOM 0 H SER A 107 -9.756 -8.009 -2.244 1.00 73.14 H new ATOM 0 HA SER A 107 -12.199 -7.929 -3.610 1.00 44.11 H new ATOM 0 HB2 SER A 107 -12.281 -9.529 -1.205 1.00 73.14 H new ATOM 0 HB3 SER A 107 -13.190 -8.058 -0.924 1.00 73.14 H new ATOM 0 HG SER A 107 -13.533 -9.866 -3.130 1.00 61.21 H new ATOM 1690 N SER A 108 -11.984 -5.553 -2.990 1.00 14.41 N ATOM 1691 CA SER A 108 -11.910 -4.137 -2.650 1.00 44.44 C ATOM 1692 C SER A 108 -13.165 -3.688 -1.908 1.00 32.54 C ATOM 1693 O SER A 108 -14.028 -4.502 -1.577 1.00 50.24 O ATOM 1694 CB SER A 108 -11.725 -3.296 -3.915 1.00 73.04 C ATOM 1695 OG SER A 108 -11.349 -4.107 -5.016 1.00 2.12 O ATOM 0 H SER A 108 -12.261 -5.742 -3.953 1.00 14.41 H new ATOM 0 HA SER A 108 -11.051 -3.992 -1.995 1.00 44.44 H new ATOM 0 HB2 SER A 108 -12.652 -2.771 -4.146 1.00 73.04 H new ATOM 0 HB3 SER A 108 -10.963 -2.536 -3.742 1.00 73.04 H new ATOM 0 HG SER A 108 -10.404 -3.955 -5.227 1.00 2.12 H new ATOM 1701 N VAL A 109 -13.259 -2.388 -1.648 1.00 42.23 N ATOM 1702 CA VAL A 109 -14.409 -1.829 -0.946 1.00 63.41 C ATOM 1703 C VAL A 109 -15.409 -1.224 -1.924 1.00 31.24 C ATOM 1704 O VAL A 109 -16.147 -0.301 -1.580 1.00 32.11 O ATOM 1705 CB VAL A 109 -13.978 -0.751 0.065 1.00 34.15 C ATOM 1706 CG1 VAL A 109 -13.014 -1.333 1.088 1.00 12.55 C ATOM 1707 CG2 VAL A 109 -13.353 0.435 -0.654 1.00 33.30 C ATOM 0 H VAL A 109 -12.553 -1.702 -1.913 1.00 42.23 H new ATOM 0 HA VAL A 109 -14.883 -2.651 -0.409 1.00 63.41 H new ATOM 0 HB VAL A 109 -14.864 -0.400 0.594 1.00 34.15 H new ATOM 0 HG11 VAL A 109 -12.720 -0.556 1.794 1.00 12.55 H new ATOM 0 HG12 VAL A 109 -13.501 -2.147 1.625 1.00 12.55 H new ATOM 0 HG13 VAL A 109 -12.129 -1.714 0.578 1.00 12.55 H new ATOM 0 HG21 VAL A 109 -13.054 1.187 0.076 1.00 33.30 H new ATOM 0 HG22 VAL A 109 -12.477 0.102 -1.211 1.00 33.30 H new ATOM 0 HG23 VAL A 109 -14.079 0.867 -1.343 1.00 33.30 H new TER 1717 VAL A 109