USER MOD reduce.3.24.130724 H: found=0, std=0, add=978, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 978 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 54 SER OG : rot -74:sc= 1.17 USER MOD Set 1.2: A 55 SER OG : rot 64:sc= 0.142 USER MOD Set 2.1: A 41 MET CE :methyl -169:sc= -0.433 (180deg=-0.933) USER MOD Set 2.2: A 43 MET CE :methyl -144:sc= -0.584 (180deg=-0.325) USER MOD Single : A 1 MET CE :methyl -152:sc= -0.152 (180deg=-0.786) USER MOD Single : A 1 MET N :NH3+ 138:sc= 0.0071 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0.495 X(o=0.5,f=0) USER MOD Single : A 5 SER OG : rot 180:sc= -0.0112 USER MOD Single : A 8 HIS : no HD1:sc= -0.421 X(o=-0.42,f=-0.38) USER MOD Single : A 11 LYS NZ :NH3+ -131:sc= 1.9 (180deg=-0.555) USER MOD Single : A 12 SER OG : rot -20:sc= 0.503 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0236 USER MOD Single : A 32 TYR OH : rot 20:sc= 0.987 USER MOD Single : A 33 ASN : amide:sc= 0.533 K(o=0.53,f=-0.23) USER MOD Single : A 36 HIS : no HE2:sc= -0.461 K(o=-0.46,f=-3.9!) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -82:sc= 0.445 USER MOD Single : A 58 LYS NZ :NH3+ 177:sc= 0.0166 (180deg=-0.00186) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 77:sc= 0.515 USER MOD Single : A 65 TYR OH : rot 96:sc= 1.53 USER MOD Single : A 71 GLN : amide:sc= -2.1! C(o=-2.1!,f=-6.4!) USER MOD Single : A 72 THR OG1 : rot 94:sc= 2.34 USER MOD Single : A 73 SER OG : rot 66:sc= 0.51 USER MOD Single : A 74 GLN :FLIP amide:sc= 0 F(o=-0.9,f=0) USER MOD Single : A 77 ASN : amide:sc=-0.00325 K(o=-0.0032,f=-0.78) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -0.451 X(o=-0.45,f=-0.00083) USER MOD Single : A 88 SER OG : rot 118:sc= 0.925 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 150:sc= 0.426 (180deg=-0.116) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot -30:sc= 0.548 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= -0.185 K(o=-0.18,f=-2.6!) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 127 HIS : no HD1:sc= -0.0406 X(o=-0.041,f=-0.018) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 131 HIS : no HD1:sc= -0.18 X(o=-0.18,f=-0.18) USER MOD Single : A 132 HIS : no HD1:sc= -0.384 X(o=-0.38,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.353 -0.275 16.288 1.00 74.02 N ATOM 2 CA MET A 1 -1.694 -0.603 14.991 1.00 72.22 C ATOM 3 C MET A 1 -0.267 -0.022 14.945 1.00 42.42 C ATOM 4 O MET A 1 -0.032 1.095 15.401 1.00 53.02 O ATOM 5 CB MET A 1 -2.564 -0.087 13.829 1.00 35.00 C ATOM 6 CG MET A 1 -2.029 -0.411 12.440 1.00 31.11 C ATOM 7 SD MET A 1 -0.855 0.818 11.848 1.00 41.13 S ATOM 8 CE MET A 1 -1.933 2.236 11.633 1.00 51.41 C ATOM 0 H1 MET A 1 -3.340 0.003 16.115 1.00 74.02 H new ATOM 0 H2 MET A 1 -2.331 -1.109 16.909 1.00 74.02 H new ATOM 0 H3 MET A 1 -1.847 0.510 16.745 1.00 74.02 H new ATOM 0 HA MET A 1 -1.600 -1.684 14.892 1.00 72.22 H new ATOM 0 HB2 MET A 1 -3.564 -0.510 13.926 1.00 35.00 H new ATOM 0 HB3 MET A 1 -2.665 0.994 13.921 1.00 35.00 H new ATOM 0 HG2 MET A 1 -1.548 -1.389 12.459 1.00 31.11 H new ATOM 0 HG3 MET A 1 -2.862 -0.479 11.740 1.00 31.11 H new ATOM 0 HE1 MET A 1 -1.533 2.882 10.852 1.00 51.41 H new ATOM 0 HE2 MET A 1 -2.929 1.896 11.348 1.00 51.41 H new ATOM 0 HE3 MET A 1 -1.993 2.792 12.568 1.00 51.41 H new ATOM 20 N GLU A 2 0.684 -0.793 14.412 1.00 34.11 N ATOM 21 CA GLU A 2 2.113 -0.429 14.470 1.00 62.34 C ATOM 22 C GLU A 2 2.561 0.417 13.258 1.00 22.12 C ATOM 23 O GLU A 2 1.926 0.399 12.205 1.00 61.10 O ATOM 24 CB GLU A 2 2.955 -1.710 14.570 1.00 44.30 C ATOM 25 CG GLU A 2 2.911 -2.574 13.319 1.00 51.20 C ATOM 26 CD GLU A 2 3.480 -3.964 13.547 1.00 71.12 C ATOM 27 OE1 GLU A 2 4.712 -4.141 13.431 1.00 32.21 O ATOM 28 OE2 GLU A 2 2.696 -4.886 13.853 1.00 62.41 O ATOM 0 H GLU A 2 0.496 -1.674 13.934 1.00 34.11 H new ATOM 0 HA GLU A 2 2.264 0.191 15.353 1.00 62.34 H new ATOM 0 HB2 GLU A 2 3.990 -1.438 14.776 1.00 44.30 H new ATOM 0 HB3 GLU A 2 2.605 -2.298 15.419 1.00 44.30 H new ATOM 0 HG2 GLU A 2 1.879 -2.660 12.977 1.00 51.20 H new ATOM 0 HG3 GLU A 2 3.471 -2.083 12.523 1.00 51.20 H new ATOM 35 N PRO A 3 3.683 1.159 13.396 1.00 71.44 N ATOM 36 CA PRO A 3 4.211 2.037 12.328 1.00 61.11 C ATOM 37 C PRO A 3 4.475 1.303 11.005 1.00 54.41 C ATOM 38 O PRO A 3 4.261 1.854 9.923 1.00 70.10 O ATOM 39 CB PRO A 3 5.541 2.565 12.902 1.00 33.04 C ATOM 40 CG PRO A 3 5.849 1.694 14.078 1.00 10.42 C ATOM 41 CD PRO A 3 4.526 1.206 14.601 1.00 52.32 C ATOM 0 HA PRO A 3 3.488 2.814 12.080 1.00 61.11 H new ATOM 0 HB2 PRO A 3 6.336 2.514 12.158 1.00 33.04 H new ATOM 0 HB3 PRO A 3 5.451 3.609 13.201 1.00 33.04 H new ATOM 0 HG2 PRO A 3 6.484 0.858 13.786 1.00 10.42 H new ATOM 0 HG3 PRO A 3 6.388 2.252 14.844 1.00 10.42 H new ATOM 0 HD2 PRO A 3 4.615 0.225 15.068 1.00 52.32 H new ATOM 0 HD3 PRO A 3 4.117 1.881 15.352 1.00 52.32 H new ATOM 49 N GLN A 4 4.958 0.066 11.102 1.00 61.01 N ATOM 50 CA GLN A 4 5.316 -0.721 9.919 1.00 2.20 C ATOM 51 C GLN A 4 4.584 -2.071 9.895 1.00 21.34 C ATOM 52 O GLN A 4 4.988 -3.020 10.569 1.00 32.33 O ATOM 53 CB GLN A 4 6.831 -0.946 9.879 1.00 45.52 C ATOM 54 CG GLN A 4 7.644 0.335 10.000 1.00 3.50 C ATOM 55 CD GLN A 4 9.129 0.111 9.807 1.00 50.34 C ATOM 56 OE1 GLN A 4 9.867 -0.133 10.757 1.00 23.24 O ATOM 57 NE2 GLN A 4 9.577 0.178 8.574 1.00 3.15 N ATOM 0 H GLN A 4 5.111 -0.415 11.988 1.00 61.01 H new ATOM 0 HA GLN A 4 5.008 -0.158 9.038 1.00 2.20 H new ATOM 0 HB2 GLN A 4 7.110 -1.621 10.688 1.00 45.52 H new ATOM 0 HB3 GLN A 4 7.091 -1.444 8.945 1.00 45.52 H new ATOM 0 HG2 GLN A 4 7.291 1.054 9.261 1.00 3.50 H new ATOM 0 HG3 GLN A 4 7.473 0.777 10.982 1.00 3.50 H new ATOM 0 HE21 GLN A 4 8.935 0.383 7.808 1.00 3.15 H new ATOM 0 HE22 GLN A 4 10.567 0.025 8.382 1.00 3.15 H new ATOM 66 N SER A 5 3.503 -2.145 9.125 1.00 1.12 N ATOM 67 CA SER A 5 2.722 -3.384 8.993 1.00 45.42 C ATOM 68 C SER A 5 3.539 -4.508 8.331 1.00 71.44 C ATOM 69 O SER A 5 4.282 -4.276 7.374 1.00 5.15 O ATOM 70 CB SER A 5 1.449 -3.125 8.176 1.00 52.01 C ATOM 71 OG SER A 5 1.754 -2.673 6.864 1.00 41.33 O ATOM 0 H SER A 5 3.142 -1.363 8.579 1.00 1.12 H new ATOM 0 HA SER A 5 2.454 -3.708 9.999 1.00 45.42 H new ATOM 0 HB2 SER A 5 0.860 -4.040 8.119 1.00 52.01 H new ATOM 0 HB3 SER A 5 0.834 -2.382 8.684 1.00 52.01 H new ATOM 0 HG SER A 5 0.922 -2.519 6.369 1.00 41.33 H new ATOM 77 N ASP A 6 3.401 -5.724 8.853 1.00 62.13 N ATOM 78 CA ASP A 6 4.097 -6.895 8.309 1.00 22.15 C ATOM 79 C ASP A 6 3.356 -7.455 7.077 1.00 73.24 C ATOM 80 O ASP A 6 2.124 -7.406 6.998 1.00 2.45 O ATOM 81 CB ASP A 6 4.210 -7.960 9.411 1.00 2.34 C ATOM 82 CG ASP A 6 5.075 -9.148 9.031 1.00 11.23 C ATOM 83 OD1 ASP A 6 4.759 -9.833 8.036 1.00 64.13 O ATOM 84 OD2 ASP A 6 6.068 -9.414 9.738 1.00 45.33 O ATOM 0 H ASP A 6 2.809 -5.929 9.658 1.00 62.13 H new ATOM 0 HA ASP A 6 5.095 -6.603 7.981 1.00 22.15 H new ATOM 0 HB2 ASP A 6 4.619 -7.497 10.309 1.00 2.34 H new ATOM 0 HB3 ASP A 6 3.211 -8.316 9.663 1.00 2.34 H new ATOM 89 N ALA A 7 4.113 -8.012 6.132 1.00 41.21 N ATOM 90 CA ALA A 7 3.550 -8.506 4.873 1.00 30.34 C ATOM 91 C ALA A 7 2.523 -9.638 5.082 1.00 43.54 C ATOM 92 O ALA A 7 1.398 -9.561 4.581 1.00 3.10 O ATOM 93 CB ALA A 7 4.675 -8.966 3.951 1.00 4.31 C ATOM 0 H ALA A 7 5.122 -8.133 6.214 1.00 41.21 H new ATOM 0 HA ALA A 7 3.010 -7.680 4.411 1.00 30.34 H new ATOM 0 HB1 ALA A 7 4.252 -9.333 3.016 1.00 4.31 H new ATOM 0 HB2 ALA A 7 5.341 -8.129 3.744 1.00 4.31 H new ATOM 0 HB3 ALA A 7 5.237 -9.766 4.433 1.00 4.31 H new ATOM 99 N HIS A 8 2.891 -10.684 5.831 1.00 64.42 N ATOM 100 CA HIS A 8 1.971 -11.814 6.051 1.00 13.33 C ATOM 101 C HIS A 8 0.843 -11.463 7.026 1.00 3.21 C ATOM 102 O HIS A 8 -0.221 -12.077 6.990 1.00 14.40 O ATOM 103 CB HIS A 8 2.699 -13.105 6.469 1.00 23.13 C ATOM 104 CG HIS A 8 3.874 -12.920 7.379 1.00 43.42 C ATOM 105 ND1 HIS A 8 5.172 -13.092 6.956 1.00 33.22 N ATOM 106 CD2 HIS A 8 3.949 -12.609 8.696 1.00 55.42 C ATOM 107 CE1 HIS A 8 5.993 -12.894 7.959 1.00 33.11 C ATOM 108 NE2 HIS A 8 5.282 -12.598 9.030 1.00 21.11 N ATOM 0 H HIS A 8 3.798 -10.775 6.288 1.00 64.42 H new ATOM 0 HA HIS A 8 1.511 -12.015 5.083 1.00 13.33 H new ATOM 0 HB2 HIS A 8 1.982 -13.762 6.960 1.00 23.13 H new ATOM 0 HB3 HIS A 8 3.037 -13.618 5.569 1.00 23.13 H new ATOM 0 HD2 HIS A 8 3.119 -12.408 9.357 1.00 55.42 H new ATOM 0 HE1 HIS A 8 7.070 -12.962 7.916 1.00 33.11 H new ATOM 0 HE2 HIS A 8 5.660 -12.394 9.955 1.00 21.11 H new ATOM 117 N VAL A 9 1.077 -10.493 7.903 1.00 53.43 N ATOM 118 CA VAL A 9 0.004 -9.971 8.758 1.00 50.24 C ATOM 119 C VAL A 9 -1.115 -9.348 7.904 1.00 72.25 C ATOM 120 O VAL A 9 -2.301 -9.578 8.144 1.00 33.35 O ATOM 121 CB VAL A 9 0.540 -8.929 9.771 1.00 43.44 C ATOM 122 CG1 VAL A 9 -0.604 -8.232 10.512 1.00 74.51 C ATOM 123 CG2 VAL A 9 1.494 -9.596 10.760 1.00 64.04 C ATOM 0 H VAL A 9 1.986 -10.053 8.044 1.00 53.43 H new ATOM 0 HA VAL A 9 -0.403 -10.811 9.320 1.00 50.24 H new ATOM 0 HB VAL A 9 1.086 -8.167 9.215 1.00 43.44 H new ATOM 0 HG11 VAL A 9 -0.194 -7.507 11.215 1.00 74.51 H new ATOM 0 HG12 VAL A 9 -1.244 -7.719 9.794 1.00 74.51 H new ATOM 0 HG13 VAL A 9 -1.190 -8.973 11.055 1.00 74.51 H new ATOM 0 HG21 VAL A 9 1.864 -8.853 11.467 1.00 64.04 H new ATOM 0 HG22 VAL A 9 0.966 -10.381 11.302 1.00 64.04 H new ATOM 0 HG23 VAL A 9 2.334 -10.031 10.218 1.00 64.04 H new ATOM 133 N LEU A 10 -0.730 -8.568 6.899 1.00 61.55 N ATOM 134 CA LEU A 10 -1.693 -8.002 5.948 1.00 34.44 C ATOM 135 C LEU A 10 -2.306 -9.104 5.060 1.00 33.32 C ATOM 136 O LEU A 10 -3.520 -9.145 4.845 1.00 72.32 O ATOM 137 CB LEU A 10 -1.012 -6.930 5.081 1.00 23.21 C ATOM 138 CG LEU A 10 -1.920 -6.235 4.052 1.00 54.35 C ATOM 139 CD1 LEU A 10 -3.127 -5.600 4.734 1.00 11.30 C ATOM 140 CD2 LEU A 10 -1.133 -5.187 3.262 1.00 52.34 C ATOM 0 H LEU A 10 0.240 -8.311 6.718 1.00 61.55 H new ATOM 0 HA LEU A 10 -2.501 -7.538 6.514 1.00 34.44 H new ATOM 0 HB2 LEU A 10 -0.590 -6.170 5.739 1.00 23.21 H new ATOM 0 HB3 LEU A 10 -0.179 -7.392 4.551 1.00 23.21 H new ATOM 0 HG LEU A 10 -2.284 -6.990 3.355 1.00 54.35 H new ATOM 0 HD11 LEU A 10 -3.754 -5.115 3.986 1.00 11.30 H new ATOM 0 HD12 LEU A 10 -3.703 -6.371 5.246 1.00 11.30 H new ATOM 0 HD13 LEU A 10 -2.788 -4.860 5.459 1.00 11.30 H new ATOM 0 HD21 LEU A 10 -1.792 -4.706 2.539 1.00 52.34 H new ATOM 0 HD22 LEU A 10 -0.737 -4.437 3.947 1.00 52.34 H new ATOM 0 HD23 LEU A 10 -0.309 -5.670 2.737 1.00 52.34 H new ATOM 152 N LYS A 11 -1.453 -10.000 4.557 1.00 3.33 N ATOM 153 CA LYS A 11 -1.897 -11.130 3.724 1.00 62.25 C ATOM 154 C LYS A 11 -2.940 -11.997 4.450 1.00 10.52 C ATOM 155 O LYS A 11 -3.970 -12.367 3.879 1.00 44.50 O ATOM 156 CB LYS A 11 -0.686 -11.992 3.323 1.00 64.13 C ATOM 157 CG LYS A 11 -1.040 -13.208 2.469 1.00 24.24 C ATOM 158 CD LYS A 11 0.156 -14.141 2.269 1.00 65.51 C ATOM 159 CE LYS A 11 -0.270 -15.474 1.665 1.00 12.53 C ATOM 160 NZ LYS A 11 0.844 -16.459 1.627 1.00 42.14 N ATOM 0 H LYS A 11 -0.445 -9.968 4.711 1.00 3.33 H new ATOM 0 HA LYS A 11 -2.368 -10.721 2.831 1.00 62.25 H new ATOM 0 HB2 LYS A 11 0.023 -11.371 2.775 1.00 64.13 H new ATOM 0 HB3 LYS A 11 -0.180 -12.331 4.227 1.00 64.13 H new ATOM 0 HG2 LYS A 11 -1.853 -13.758 2.943 1.00 24.24 H new ATOM 0 HG3 LYS A 11 -1.405 -12.874 1.498 1.00 24.24 H new ATOM 0 HD2 LYS A 11 0.887 -13.662 1.618 1.00 65.51 H new ATOM 0 HD3 LYS A 11 0.647 -14.315 3.226 1.00 65.51 H new ATOM 0 HE2 LYS A 11 -1.096 -15.886 2.245 1.00 12.53 H new ATOM 0 HE3 LYS A 11 -0.641 -15.310 0.653 1.00 12.53 H new ATOM 0 HZ1 LYS A 11 0.904 -16.879 0.677 1.00 42.14 H new ATOM 0 HZ2 LYS A 11 1.739 -15.979 1.851 1.00 42.14 H new ATOM 0 HZ3 LYS A 11 0.669 -17.208 2.326 1.00 42.14 H new ATOM 174 N SER A 12 -2.673 -12.297 5.718 1.00 13.55 N ATOM 175 CA SER A 12 -3.579 -13.122 6.526 1.00 4.03 C ATOM 176 C SER A 12 -4.911 -12.406 6.750 1.00 52.34 C ATOM 177 O SER A 12 -5.965 -13.025 6.736 1.00 34.42 O ATOM 178 CB SER A 12 -2.940 -13.474 7.876 1.00 61.22 C ATOM 179 OG SER A 12 -2.632 -12.308 8.622 1.00 41.13 O ATOM 0 H SER A 12 -1.838 -11.983 6.212 1.00 13.55 H new ATOM 0 HA SER A 12 -3.766 -14.045 5.978 1.00 4.03 H new ATOM 0 HB2 SER A 12 -3.620 -14.105 8.449 1.00 61.22 H new ATOM 0 HB3 SER A 12 -2.031 -14.053 7.710 1.00 61.22 H new ATOM 0 HG SER A 12 -2.586 -11.537 8.019 1.00 41.13 H new ATOM 185 N ARG A 13 -4.862 -11.092 6.946 1.00 73.14 N ATOM 186 CA ARG A 13 -6.083 -10.288 7.078 1.00 3.53 C ATOM 187 C ARG A 13 -6.914 -10.303 5.787 1.00 72.04 C ATOM 188 O ARG A 13 -8.141 -10.244 5.829 1.00 3.23 O ATOM 189 CB ARG A 13 -5.741 -8.848 7.465 1.00 72.20 C ATOM 190 CG ARG A 13 -5.159 -8.714 8.867 1.00 25.30 C ATOM 191 CD ARG A 13 -4.726 -7.280 9.155 1.00 63.21 C ATOM 192 NE ARG A 13 -4.118 -7.135 10.474 1.00 42.32 N ATOM 193 CZ ARG A 13 -3.770 -5.991 10.994 1.00 43.45 C ATOM 194 NH1 ARG A 13 -3.971 -4.888 10.344 1.00 32.55 N ATOM 195 NH2 ARG A 13 -3.224 -5.959 12.164 1.00 0.43 N ATOM 0 H ARG A 13 -3.996 -10.558 7.017 1.00 73.14 H new ATOM 0 HA ARG A 13 -6.683 -10.736 7.870 1.00 3.53 H new ATOM 0 HB2 ARG A 13 -5.028 -8.447 6.745 1.00 72.20 H new ATOM 0 HB3 ARG A 13 -6.642 -8.238 7.395 1.00 72.20 H new ATOM 0 HG2 ARG A 13 -5.901 -9.026 9.602 1.00 25.30 H new ATOM 0 HG3 ARG A 13 -4.304 -9.382 8.973 1.00 25.30 H new ATOM 0 HD2 ARG A 13 -4.016 -6.958 8.393 1.00 63.21 H new ATOM 0 HD3 ARG A 13 -5.591 -6.621 9.083 1.00 63.21 H new ATOM 0 HE ARG A 13 -3.956 -7.980 11.022 1.00 42.32 H new ATOM 0 HH11 ARG A 13 -4.404 -4.912 9.421 1.00 32.55 H new ATOM 0 HH12 ARG A 13 -3.697 -3.996 10.756 1.00 32.55 H new ATOM 0 HH21 ARG A 13 -3.067 -6.826 12.677 1.00 0.43 H new ATOM 0 HH22 ARG A 13 -2.950 -5.066 12.575 1.00 0.43 H new ATOM 209 N LEU A 14 -6.244 -10.377 4.644 1.00 45.41 N ATOM 210 CA LEU A 14 -6.929 -10.433 3.352 1.00 33.55 C ATOM 211 C LEU A 14 -7.686 -11.769 3.184 1.00 62.24 C ATOM 212 O LEU A 14 -8.888 -11.789 2.912 1.00 52.32 O ATOM 213 CB LEU A 14 -5.902 -10.241 2.217 1.00 25.34 C ATOM 214 CG LEU A 14 -6.434 -9.581 0.927 1.00 62.41 C ATOM 215 CD1 LEU A 14 -5.299 -9.339 -0.063 1.00 21.45 C ATOM 216 CD2 LEU A 14 -7.540 -10.418 0.281 1.00 22.21 C ATOM 0 H LEU A 14 -5.226 -10.400 4.582 1.00 45.41 H new ATOM 0 HA LEU A 14 -7.665 -9.630 3.308 1.00 33.55 H new ATOM 0 HB2 LEU A 14 -5.078 -9.637 2.598 1.00 25.34 H new ATOM 0 HB3 LEU A 14 -5.489 -11.216 1.959 1.00 25.34 H new ATOM 0 HG LEU A 14 -6.865 -8.619 1.205 1.00 62.41 H new ATOM 0 HD11 LEU A 14 -5.696 -8.873 -0.965 1.00 21.45 H new ATOM 0 HD12 LEU A 14 -4.557 -8.681 0.388 1.00 21.45 H new ATOM 0 HD13 LEU A 14 -4.832 -10.290 -0.321 1.00 21.45 H new ATOM 0 HD21 LEU A 14 -7.890 -9.922 -0.624 1.00 22.21 H new ATOM 0 HD22 LEU A 14 -7.149 -11.403 0.027 1.00 22.21 H new ATOM 0 HD23 LEU A 14 -8.370 -10.526 0.979 1.00 22.21 H new ATOM 228 N GLU A 15 -6.974 -12.881 3.353 1.00 32.02 N ATOM 229 CA GLU A 15 -7.545 -14.218 3.118 1.00 44.31 C ATOM 230 C GLU A 15 -8.252 -14.807 4.359 1.00 2.02 C ATOM 231 O GLU A 15 -9.053 -15.737 4.239 1.00 72.31 O ATOM 232 CB GLU A 15 -6.439 -15.177 2.654 1.00 4.10 C ATOM 233 CG GLU A 15 -5.729 -14.734 1.378 1.00 74.44 C ATOM 234 CD GLU A 15 -4.634 -15.701 0.955 1.00 43.05 C ATOM 235 OE1 GLU A 15 -4.942 -16.690 0.262 1.00 21.24 O ATOM 236 OE2 GLU A 15 -3.461 -15.485 1.324 1.00 33.32 O ATOM 0 H GLU A 15 -5.999 -12.889 3.652 1.00 32.02 H new ATOM 0 HA GLU A 15 -8.305 -14.104 2.345 1.00 44.31 H new ATOM 0 HB2 GLU A 15 -5.702 -15.279 3.451 1.00 4.10 H new ATOM 0 HB3 GLU A 15 -6.872 -16.164 2.493 1.00 4.10 H new ATOM 0 HG2 GLU A 15 -6.459 -14.642 0.573 1.00 74.44 H new ATOM 0 HG3 GLU A 15 -5.297 -13.745 1.531 1.00 74.44 H new ATOM 243 N TRP A 16 -7.951 -14.279 5.545 1.00 52.22 N ATOM 244 CA TRP A 16 -8.498 -14.826 6.805 1.00 11.24 C ATOM 245 C TRP A 16 -9.178 -13.738 7.660 1.00 52.41 C ATOM 246 O TRP A 16 -10.271 -13.942 8.190 1.00 65.40 O ATOM 247 CB TRP A 16 -7.379 -15.477 7.640 1.00 22.23 C ATOM 248 CG TRP A 16 -6.542 -16.477 6.892 1.00 12.42 C ATOM 249 CD1 TRP A 16 -5.577 -16.207 5.969 1.00 4.55 C ATOM 250 CD2 TRP A 16 -6.577 -17.905 7.026 1.00 3.32 C ATOM 251 NE1 TRP A 16 -5.022 -17.372 5.507 1.00 55.43 N ATOM 252 CE2 TRP A 16 -5.620 -18.428 6.139 1.00 53.33 C ATOM 253 CE3 TRP A 16 -7.331 -18.787 7.806 1.00 65.53 C ATOM 254 CZ2 TRP A 16 -5.392 -19.796 6.012 1.00 50.32 C ATOM 255 CZ3 TRP A 16 -7.106 -20.144 7.678 1.00 71.51 C ATOM 256 CH2 TRP A 16 -6.146 -20.638 6.786 1.00 54.32 C ATOM 0 H TRP A 16 -7.334 -13.476 5.669 1.00 52.22 H new ATOM 0 HA TRP A 16 -9.244 -15.570 6.527 1.00 11.24 H new ATOM 0 HB2 TRP A 16 -6.727 -14.693 8.025 1.00 22.23 H new ATOM 0 HB3 TRP A 16 -7.827 -15.970 8.502 1.00 22.23 H new ATOM 0 HD1 TRP A 16 -5.290 -15.217 5.647 1.00 4.55 H new ATOM 0 HE1 TRP A 16 -4.284 -17.441 4.806 1.00 55.43 H new ATOM 0 HE3 TRP A 16 -8.075 -18.415 8.495 1.00 65.53 H new ATOM 0 HZ2 TRP A 16 -4.648 -20.179 5.329 1.00 50.32 H new ATOM 0 HZ3 TRP A 16 -7.680 -20.836 8.276 1.00 71.51 H new ATOM 0 HH2 TRP A 16 -5.997 -21.705 6.707 1.00 54.32 H new ATOM 267 N GLY A 17 -8.510 -12.592 7.799 1.00 1.34 N ATOM 268 CA GLY A 17 -8.977 -11.521 8.681 1.00 44.34 C ATOM 269 C GLY A 17 -10.167 -10.726 8.136 1.00 11.41 C ATOM 270 O GLY A 17 -10.792 -11.109 7.143 1.00 74.13 O ATOM 0 H GLY A 17 -7.640 -12.381 7.310 1.00 1.34 H new ATOM 0 HA2 GLY A 17 -9.254 -11.954 9.642 1.00 44.34 H new ATOM 0 HA3 GLY A 17 -8.151 -10.834 8.867 1.00 44.34 H new ATOM 274 N GLU A 18 -10.473 -9.610 8.795 1.00 52.24 N ATOM 275 CA GLU A 18 -11.589 -8.735 8.393 1.00 21.41 C ATOM 276 C GLU A 18 -11.110 -7.562 7.515 1.00 53.02 C ATOM 277 O GLU A 18 -10.057 -6.969 7.771 1.00 50.25 O ATOM 278 CB GLU A 18 -12.325 -8.188 9.631 1.00 73.34 C ATOM 279 CG GLU A 18 -13.275 -9.179 10.298 1.00 24.31 C ATOM 280 CD GLU A 18 -12.577 -10.414 10.844 1.00 75.42 C ATOM 281 OE1 GLU A 18 -11.829 -10.290 11.837 1.00 63.10 O ATOM 282 OE2 GLU A 18 -12.789 -11.517 10.295 1.00 64.13 O ATOM 0 H GLU A 18 -9.964 -9.283 9.616 1.00 52.24 H new ATOM 0 HA GLU A 18 -12.276 -9.343 7.804 1.00 21.41 H new ATOM 0 HB2 GLU A 18 -11.585 -7.866 10.364 1.00 73.34 H new ATOM 0 HB3 GLU A 18 -12.891 -7.303 9.339 1.00 73.34 H new ATOM 0 HG2 GLU A 18 -13.798 -8.677 11.112 1.00 24.31 H new ATOM 0 HG3 GLU A 18 -14.031 -9.488 9.576 1.00 24.31 H new ATOM 289 N PRO A 19 -11.907 -7.184 6.493 1.00 1.04 N ATOM 290 CA PRO A 19 -11.531 -6.141 5.519 1.00 62.34 C ATOM 291 C PRO A 19 -11.735 -4.701 6.040 1.00 42.02 C ATOM 292 O PRO A 19 -12.367 -3.872 5.381 1.00 3.20 O ATOM 293 CB PRO A 19 -12.471 -6.440 4.344 1.00 24.23 C ATOM 294 CG PRO A 19 -13.706 -6.982 4.982 1.00 41.41 C ATOM 295 CD PRO A 19 -13.246 -7.743 6.205 1.00 0.20 C ATOM 0 HA PRO A 19 -10.470 -6.173 5.273 1.00 62.34 H new ATOM 0 HB2 PRO A 19 -12.684 -5.540 3.767 1.00 24.23 H new ATOM 0 HB3 PRO A 19 -12.030 -7.162 3.657 1.00 24.23 H new ATOM 0 HG2 PRO A 19 -14.388 -6.177 5.257 1.00 41.41 H new ATOM 0 HG3 PRO A 19 -14.245 -7.636 4.296 1.00 41.41 H new ATOM 0 HD2 PRO A 19 -13.927 -7.599 7.044 1.00 0.20 H new ATOM 0 HD3 PRO A 19 -13.198 -8.815 6.013 1.00 0.20 H new ATOM 303 N ALA A 20 -11.174 -4.403 7.213 1.00 12.14 N ATOM 304 CA ALA A 20 -11.245 -3.050 7.786 1.00 13.14 C ATOM 305 C ALA A 20 -10.016 -2.207 7.401 1.00 52.11 C ATOM 306 O ALA A 20 -9.814 -1.107 7.920 1.00 35.13 O ATOM 307 CB ALA A 20 -11.377 -3.138 9.304 1.00 25.12 C ATOM 0 H ALA A 20 -10.666 -5.076 7.787 1.00 12.14 H new ATOM 0 HA ALA A 20 -12.124 -2.553 7.376 1.00 13.14 H new ATOM 0 HB1 ALA A 20 -11.429 -2.133 9.724 1.00 25.12 H new ATOM 0 HB2 ALA A 20 -12.284 -3.685 9.559 1.00 25.12 H new ATOM 0 HB3 ALA A 20 -10.512 -3.658 9.715 1.00 25.12 H new ATOM 313 N PHE A 21 -9.210 -2.730 6.480 1.00 65.01 N ATOM 314 CA PHE A 21 -7.970 -2.071 6.045 1.00 2.21 C ATOM 315 C PHE A 21 -8.065 -1.597 4.584 1.00 11.20 C ATOM 316 O PHE A 21 -8.882 -2.093 3.809 1.00 61.33 O ATOM 317 CB PHE A 21 -6.782 -3.036 6.204 1.00 31.01 C ATOM 318 CG PHE A 21 -6.943 -4.339 5.455 1.00 3.31 C ATOM 319 CD1 PHE A 21 -6.507 -4.465 4.141 1.00 22.55 C ATOM 320 CD2 PHE A 21 -7.533 -5.438 6.064 1.00 44.32 C ATOM 321 CE1 PHE A 21 -6.656 -5.657 3.456 1.00 1.02 C ATOM 322 CE2 PHE A 21 -7.682 -6.629 5.384 1.00 42.41 C ATOM 323 CZ PHE A 21 -7.245 -6.739 4.077 1.00 43.42 C ATOM 0 H PHE A 21 -9.392 -3.618 6.013 1.00 65.01 H new ATOM 0 HA PHE A 21 -7.818 -1.194 6.674 1.00 2.21 H new ATOM 0 HB2 PHE A 21 -5.875 -2.540 5.858 1.00 31.01 H new ATOM 0 HB3 PHE A 21 -6.642 -3.253 7.263 1.00 31.01 H new ATOM 0 HD1 PHE A 21 -6.046 -3.621 3.649 1.00 22.55 H new ATOM 0 HD2 PHE A 21 -7.880 -5.360 7.084 1.00 44.32 H new ATOM 0 HE1 PHE A 21 -6.312 -5.741 2.436 1.00 1.02 H new ATOM 0 HE2 PHE A 21 -8.140 -7.476 5.873 1.00 42.41 H new ATOM 0 HZ PHE A 21 -7.364 -7.670 3.543 1.00 43.42 H new ATOM 333 N THR A 22 -7.226 -0.632 4.215 1.00 63.04 N ATOM 334 CA THR A 22 -7.176 -0.136 2.831 1.00 15.42 C ATOM 335 C THR A 22 -5.743 -0.157 2.280 1.00 41.13 C ATOM 336 O THR A 22 -4.874 0.569 2.758 1.00 65.44 O ATOM 337 CB THR A 22 -7.734 1.304 2.726 1.00 11.10 C ATOM 338 OG1 THR A 22 -9.075 1.354 3.242 1.00 55.54 O ATOM 339 CG2 THR A 22 -7.722 1.791 1.282 1.00 12.11 C ATOM 0 H THR A 22 -6.571 -0.175 4.849 1.00 63.04 H new ATOM 0 HA THR A 22 -7.798 -0.805 2.237 1.00 15.42 H new ATOM 0 HB THR A 22 -7.093 1.958 3.317 1.00 11.10 H new ATOM 0 HG1 THR A 22 -9.418 2.269 3.173 1.00 55.54 H new ATOM 0 HG21 THR A 22 -8.119 2.805 1.237 1.00 12.11 H new ATOM 0 HG22 THR A 22 -6.700 1.784 0.904 1.00 12.11 H new ATOM 0 HG23 THR A 22 -8.339 1.132 0.671 1.00 12.11 H new ATOM 347 N ILE A 23 -5.504 -0.988 1.268 1.00 13.21 N ATOM 348 CA ILE A 23 -4.170 -1.121 0.665 1.00 5.42 C ATOM 349 C ILE A 23 -3.952 -0.108 -0.476 1.00 21.31 C ATOM 350 O ILE A 23 -4.739 -0.044 -1.424 1.00 74.41 O ATOM 351 CB ILE A 23 -3.951 -2.554 0.115 1.00 52.11 C ATOM 352 CG1 ILE A 23 -4.128 -3.596 1.235 1.00 20.35 C ATOM 353 CG2 ILE A 23 -2.566 -2.675 -0.530 1.00 21.23 C ATOM 354 CD1 ILE A 23 -4.002 -5.033 0.767 1.00 22.20 C ATOM 0 H ILE A 23 -6.216 -1.583 0.844 1.00 13.21 H new ATOM 0 HA ILE A 23 -3.448 -0.917 1.456 1.00 5.42 H new ATOM 0 HB ILE A 23 -4.701 -2.749 -0.651 1.00 52.11 H new ATOM 0 HG12 ILE A 23 -3.384 -3.411 2.010 1.00 20.35 H new ATOM 0 HG13 ILE A 23 -5.107 -3.459 1.693 1.00 20.35 H new ATOM 0 HG21 ILE A 23 -2.429 -3.687 -0.911 1.00 21.23 H new ATOM 0 HG22 ILE A 23 -2.484 -1.964 -1.352 1.00 21.23 H new ATOM 0 HG23 ILE A 23 -1.798 -2.460 0.213 1.00 21.23 H new ATOM 0 HD11 ILE A 23 -4.139 -5.705 1.614 1.00 22.20 H new ATOM 0 HD12 ILE A 23 -4.763 -5.238 0.014 1.00 22.20 H new ATOM 0 HD13 ILE A 23 -3.013 -5.190 0.336 1.00 22.20 H new ATOM 366 N LEU A 24 -2.872 0.672 -0.387 1.00 61.44 N ATOM 367 CA LEU A 24 -2.555 1.683 -1.409 1.00 42.31 C ATOM 368 C LEU A 24 -1.255 1.356 -2.157 1.00 23.03 C ATOM 369 O LEU A 24 -0.207 1.139 -1.543 1.00 54.24 O ATOM 370 CB LEU A 24 -2.428 3.074 -0.774 1.00 41.32 C ATOM 371 CG LEU A 24 -3.669 3.579 -0.024 1.00 1.14 C ATOM 372 CD1 LEU A 24 -3.478 5.029 0.401 1.00 44.02 C ATOM 373 CD2 LEU A 24 -4.920 3.428 -0.882 1.00 11.33 C ATOM 0 H LEU A 24 -2.201 0.626 0.380 1.00 61.44 H new ATOM 0 HA LEU A 24 -3.378 1.675 -2.124 1.00 42.31 H new ATOM 0 HB2 LEU A 24 -1.587 3.061 -0.081 1.00 41.32 H new ATOM 0 HB3 LEU A 24 -2.184 3.790 -1.558 1.00 41.32 H new ATOM 0 HG LEU A 24 -3.800 2.971 0.871 1.00 1.14 H new ATOM 0 HD11 LEU A 24 -4.366 5.373 0.931 1.00 44.02 H new ATOM 0 HD12 LEU A 24 -2.611 5.105 1.058 1.00 44.02 H new ATOM 0 HD13 LEU A 24 -3.320 5.649 -0.481 1.00 44.02 H new ATOM 0 HD21 LEU A 24 -5.786 3.792 -0.330 1.00 11.33 H new ATOM 0 HD22 LEU A 24 -4.805 4.007 -1.799 1.00 11.33 H new ATOM 0 HD23 LEU A 24 -5.065 2.377 -1.132 1.00 11.33 H new ATOM 385 N ASP A 25 -1.336 1.326 -3.482 1.00 34.01 N ATOM 386 CA ASP A 25 -0.160 1.150 -4.334 1.00 30.00 C ATOM 387 C ASP A 25 0.435 2.518 -4.690 1.00 2.24 C ATOM 388 O ASP A 25 -0.187 3.299 -5.410 1.00 73.40 O ATOM 389 CB ASP A 25 -0.552 0.404 -5.612 1.00 5.02 C ATOM 390 CG ASP A 25 0.642 -0.144 -6.372 1.00 31.12 C ATOM 391 OD1 ASP A 25 1.646 0.581 -6.549 1.00 35.03 O ATOM 392 OD2 ASP A 25 0.576 -1.309 -6.806 1.00 25.32 O ATOM 0 H ASP A 25 -2.212 1.422 -3.996 1.00 34.01 H new ATOM 0 HA ASP A 25 0.587 0.567 -3.796 1.00 30.00 H new ATOM 0 HB2 ASP A 25 -1.220 -0.418 -5.355 1.00 5.02 H new ATOM 0 HB3 ASP A 25 -1.111 1.078 -6.262 1.00 5.02 H new ATOM 397 N VAL A 26 1.631 2.804 -4.189 1.00 32.22 N ATOM 398 CA VAL A 26 2.259 4.117 -4.396 1.00 43.22 C ATOM 399 C VAL A 26 3.447 4.058 -5.364 1.00 24.04 C ATOM 400 O VAL A 26 4.119 5.065 -5.593 1.00 65.25 O ATOM 401 CB VAL A 26 2.723 4.717 -3.051 1.00 14.31 C ATOM 402 CG1 VAL A 26 1.519 4.985 -2.154 1.00 35.34 C ATOM 403 CG2 VAL A 26 3.725 3.787 -2.369 1.00 71.43 C ATOM 0 H VAL A 26 2.189 2.152 -3.638 1.00 32.22 H new ATOM 0 HA VAL A 26 1.497 4.755 -4.843 1.00 43.22 H new ATOM 0 HB VAL A 26 3.224 5.666 -3.240 1.00 14.31 H new ATOM 0 HG11 VAL A 26 1.857 5.408 -1.208 1.00 35.34 H new ATOM 0 HG12 VAL A 26 0.848 5.688 -2.647 1.00 35.34 H new ATOM 0 HG13 VAL A 26 0.991 4.050 -1.965 1.00 35.34 H new ATOM 0 HG21 VAL A 26 4.042 4.225 -1.422 1.00 71.43 H new ATOM 0 HG22 VAL A 26 3.256 2.821 -2.183 1.00 71.43 H new ATOM 0 HG23 VAL A 26 4.593 3.651 -3.014 1.00 71.43 H new ATOM 413 N ARG A 27 3.685 2.890 -5.948 1.00 71.02 N ATOM 414 CA ARG A 27 4.812 2.701 -6.864 1.00 51.11 C ATOM 415 C ARG A 27 4.686 3.606 -8.093 1.00 74.32 C ATOM 416 O ARG A 27 5.448 4.563 -8.266 1.00 74.11 O ATOM 417 CB ARG A 27 4.889 1.237 -7.305 1.00 53.45 C ATOM 418 CG ARG A 27 5.121 0.264 -6.157 1.00 3.02 C ATOM 419 CD ARG A 27 5.000 -1.181 -6.613 1.00 61.21 C ATOM 420 NE ARG A 27 3.673 -1.470 -7.127 1.00 60.04 N ATOM 421 CZ ARG A 27 3.415 -2.425 -7.960 1.00 5.43 C ATOM 422 NH1 ARG A 27 4.353 -3.211 -8.377 1.00 44.04 N ATOM 423 NH2 ARG A 27 2.215 -2.596 -8.382 1.00 53.34 N ATOM 0 H ARG A 27 3.114 2.057 -5.806 1.00 71.02 H new ATOM 0 HA ARG A 27 5.726 2.970 -6.334 1.00 51.11 H new ATOM 0 HB2 ARG A 27 3.963 0.971 -7.814 1.00 53.45 H new ATOM 0 HB3 ARG A 27 5.694 1.127 -8.031 1.00 53.45 H new ATOM 0 HG2 ARG A 27 6.111 0.430 -5.733 1.00 3.02 H new ATOM 0 HG3 ARG A 27 4.398 0.457 -5.364 1.00 3.02 H new ATOM 0 HD2 ARG A 27 5.742 -1.383 -7.386 1.00 61.21 H new ATOM 0 HD3 ARG A 27 5.220 -1.846 -5.778 1.00 61.21 H new ATOM 0 HE ARG A 27 2.899 -0.885 -6.812 1.00 60.04 H new ATOM 0 HH11 ARG A 27 5.310 -3.082 -8.049 1.00 44.04 H new ATOM 0 HH12 ARG A 27 4.136 -3.960 -9.034 1.00 44.04 H new ATOM 0 HH21 ARG A 27 1.469 -1.980 -8.060 1.00 53.34 H new ATOM 0 HH22 ARG A 27 2.008 -3.348 -9.039 1.00 53.34 H new ATOM 437 N ASP A 28 3.700 3.303 -8.926 1.00 31.04 N ATOM 438 CA ASP A 28 3.464 4.032 -10.168 1.00 63.24 C ATOM 439 C ASP A 28 2.167 3.552 -10.812 1.00 35.31 C ATOM 440 O ASP A 28 1.716 2.441 -10.551 1.00 55.55 O ATOM 441 CB ASP A 28 4.635 3.827 -11.140 1.00 22.03 C ATOM 442 CG ASP A 28 4.422 4.538 -12.464 1.00 55.14 C ATOM 443 OD1 ASP A 28 4.448 5.783 -12.485 1.00 35.54 O ATOM 444 OD2 ASP A 28 4.212 3.852 -13.487 1.00 32.43 O ATOM 0 H ASP A 28 3.039 2.544 -8.761 1.00 31.04 H new ATOM 0 HA ASP A 28 3.381 5.094 -9.939 1.00 63.24 H new ATOM 0 HB2 ASP A 28 5.553 4.191 -10.679 1.00 22.03 H new ATOM 0 HB3 ASP A 28 4.770 2.761 -11.321 1.00 22.03 H new ATOM 449 N ARG A 29 1.579 4.383 -11.657 1.00 35.22 N ATOM 450 CA ARG A 29 0.368 4.007 -12.381 1.00 20.33 C ATOM 451 C ARG A 29 0.600 2.727 -13.216 1.00 20.31 C ATOM 452 O ARG A 29 -0.152 1.748 -13.124 1.00 44.24 O ATOM 453 CB ARG A 29 -0.066 5.162 -13.293 1.00 52.22 C ATOM 454 CG ARG A 29 -1.372 4.903 -14.026 1.00 13.15 C ATOM 455 CD ARG A 29 -2.563 4.861 -13.073 1.00 73.53 C ATOM 456 NE ARG A 29 -3.822 4.627 -13.773 1.00 71.44 N ATOM 457 CZ ARG A 29 -4.904 5.346 -13.614 1.00 24.24 C ATOM 458 NH1 ARG A 29 -4.907 6.383 -12.833 1.00 71.21 N ATOM 459 NH2 ARG A 29 -5.979 5.038 -14.262 1.00 54.44 N ATOM 0 H ARG A 29 1.918 5.323 -11.861 1.00 35.22 H new ATOM 0 HA ARG A 29 -0.421 3.801 -11.658 1.00 20.33 H new ATOM 0 HB2 ARG A 29 -0.169 6.067 -12.694 1.00 52.22 H new ATOM 0 HB3 ARG A 29 0.720 5.351 -14.024 1.00 52.22 H new ATOM 0 HG2 ARG A 29 -1.531 5.683 -14.771 1.00 13.15 H new ATOM 0 HG3 ARG A 29 -1.305 3.957 -14.564 1.00 13.15 H new ATOM 0 HD2 ARG A 29 -2.408 4.074 -12.335 1.00 73.53 H new ATOM 0 HD3 ARG A 29 -2.623 5.803 -12.527 1.00 73.53 H new ATOM 0 HE ARG A 29 -3.861 3.849 -14.432 1.00 71.44 H new ATOM 0 HH11 ARG A 29 -4.058 6.647 -12.333 1.00 71.21 H new ATOM 0 HH12 ARG A 29 -5.758 6.933 -12.719 1.00 71.21 H new ATOM 0 HH21 ARG A 29 -5.982 4.237 -14.894 1.00 54.44 H new ATOM 0 HH22 ARG A 29 -6.825 5.595 -14.141 1.00 54.44 H new ATOM 473 N SER A 30 1.668 2.730 -14.007 1.00 41.21 N ATOM 474 CA SER A 30 1.980 1.606 -14.894 1.00 15.21 C ATOM 475 C SER A 30 2.556 0.423 -14.114 1.00 53.02 C ATOM 476 O SER A 30 2.189 -0.725 -14.361 1.00 24.31 O ATOM 477 CB SER A 30 2.950 2.045 -15.996 1.00 12.53 C ATOM 478 OG SER A 30 2.402 3.107 -16.769 1.00 23.30 O ATOM 0 H SER A 30 2.336 3.499 -14.055 1.00 41.21 H new ATOM 0 HA SER A 30 1.049 1.279 -15.357 1.00 15.21 H new ATOM 0 HB2 SER A 30 3.892 2.365 -15.550 1.00 12.53 H new ATOM 0 HB3 SER A 30 3.176 1.198 -16.644 1.00 12.53 H new ATOM 0 HG SER A 30 3.041 3.369 -17.464 1.00 23.30 H new ATOM 484 N THR A 31 3.449 0.702 -13.162 1.00 41.10 N ATOM 485 CA THR A 31 3.990 -0.348 -12.285 1.00 44.42 C ATOM 486 C THR A 31 2.867 -1.026 -11.479 1.00 42.32 C ATOM 487 O THR A 31 2.924 -2.226 -11.195 1.00 75.42 O ATOM 488 CB THR A 31 5.066 0.212 -11.322 1.00 53.24 C ATOM 489 OG1 THR A 31 6.133 0.806 -12.080 1.00 52.32 O ATOM 490 CG2 THR A 31 5.642 -0.876 -10.420 1.00 62.34 C ATOM 0 H THR A 31 3.813 1.637 -12.977 1.00 41.10 H new ATOM 0 HA THR A 31 4.461 -1.091 -12.928 1.00 44.42 H new ATOM 0 HB THR A 31 4.585 0.960 -10.691 1.00 53.24 H new ATOM 0 HG1 THR A 31 6.811 1.161 -11.468 1.00 52.32 H new ATOM 0 HG21 THR A 31 6.393 -0.442 -9.760 1.00 62.34 H new ATOM 0 HG22 THR A 31 4.843 -1.314 -9.822 1.00 62.34 H new ATOM 0 HG23 THR A 31 6.102 -1.651 -11.033 1.00 62.34 H new ATOM 498 N TYR A 32 1.835 -0.252 -11.126 1.00 71.43 N ATOM 499 CA TYR A 32 0.618 -0.808 -10.525 1.00 22.32 C ATOM 500 C TYR A 32 0.032 -1.895 -11.431 1.00 55.13 C ATOM 501 O TYR A 32 -0.188 -3.027 -10.998 1.00 60.11 O ATOM 502 CB TYR A 32 -0.420 0.301 -10.283 1.00 12.43 C ATOM 503 CG TYR A 32 -1.811 -0.203 -9.923 1.00 30.55 C ATOM 504 CD1 TYR A 32 -2.089 -0.710 -8.658 1.00 61.34 C ATOM 505 CD2 TYR A 32 -2.848 -0.165 -10.852 1.00 34.22 C ATOM 506 CE1 TYR A 32 -3.354 -1.162 -8.330 1.00 4.00 C ATOM 507 CE2 TYR A 32 -4.113 -0.615 -10.530 1.00 71.54 C ATOM 508 CZ TYR A 32 -4.363 -1.114 -9.271 1.00 43.35 C ATOM 509 OH TYR A 32 -5.627 -1.564 -8.952 1.00 54.53 O ATOM 0 H TYR A 32 1.818 0.761 -11.246 1.00 71.43 H new ATOM 0 HA TYR A 32 0.877 -1.252 -9.564 1.00 22.32 H new ATOM 0 HB2 TYR A 32 -0.063 0.947 -9.481 1.00 12.43 H new ATOM 0 HB3 TYR A 32 -0.491 0.916 -11.180 1.00 12.43 H new ATOM 0 HD1 TYR A 32 -1.303 -0.751 -7.919 1.00 61.34 H new ATOM 0 HD2 TYR A 32 -2.659 0.223 -11.842 1.00 34.22 H new ATOM 0 HE1 TYR A 32 -3.552 -1.551 -7.342 1.00 4.00 H new ATOM 0 HE2 TYR A 32 -4.905 -0.576 -11.264 1.00 71.54 H new ATOM 0 HH TYR A 32 -5.730 -1.586 -7.978 1.00 54.53 H new ATOM 519 N ASN A 33 -0.206 -1.548 -12.694 1.00 33.14 N ATOM 520 CA ASN A 33 -0.693 -2.518 -13.676 1.00 24.32 C ATOM 521 C ASN A 33 0.297 -3.684 -13.875 1.00 13.45 C ATOM 522 O ASN A 33 -0.118 -4.833 -14.006 1.00 31.31 O ATOM 523 CB ASN A 33 -0.980 -1.820 -15.008 1.00 4.42 C ATOM 524 CG ASN A 33 -2.146 -0.848 -14.904 1.00 71.25 C ATOM 525 OD1 ASN A 33 -3.296 -1.229 -15.075 1.00 23.24 O ATOM 526 ND2 ASN A 33 -1.868 0.410 -14.635 1.00 64.23 N ATOM 0 H ASN A 33 -0.071 -0.606 -13.062 1.00 33.14 H new ATOM 0 HA ASN A 33 -1.619 -2.945 -13.290 1.00 24.32 H new ATOM 0 HB2 ASN A 33 -0.089 -1.284 -15.335 1.00 4.42 H new ATOM 0 HB3 ASN A 33 -1.199 -2.569 -15.769 1.00 4.42 H new ATOM 0 HD21 ASN A 33 -2.621 1.095 -14.564 1.00 64.23 H new ATOM 0 HD22 ASN A 33 -0.900 0.700 -14.497 1.00 64.23 H new ATOM 533 N ASP A 34 1.600 -3.387 -13.864 1.00 4.25 N ATOM 534 CA ASP A 34 2.651 -4.406 -14.045 1.00 54.54 C ATOM 535 C ASP A 34 2.450 -5.593 -13.082 1.00 71.03 C ATOM 536 O ASP A 34 2.431 -6.753 -13.502 1.00 30.33 O ATOM 537 CB ASP A 34 4.022 -3.742 -13.798 1.00 1.51 C ATOM 538 CG ASP A 34 5.212 -4.672 -13.997 1.00 62.43 C ATOM 539 OD1 ASP A 34 5.433 -5.559 -13.147 1.00 0.53 O ATOM 540 OD2 ASP A 34 5.951 -4.502 -14.992 1.00 52.21 O ATOM 0 H ASP A 34 1.959 -2.442 -13.731 1.00 4.25 H new ATOM 0 HA ASP A 34 2.600 -4.799 -15.060 1.00 54.54 H new ATOM 0 HB2 ASP A 34 4.126 -2.889 -14.469 1.00 1.51 H new ATOM 0 HB3 ASP A 34 4.046 -3.352 -12.780 1.00 1.51 H new ATOM 545 N GLY A 35 2.237 -5.291 -11.807 1.00 42.15 N ATOM 546 CA GLY A 35 1.958 -6.332 -10.826 1.00 33.03 C ATOM 547 C GLY A 35 1.663 -5.755 -9.456 1.00 12.01 C ATOM 548 O GLY A 35 2.463 -4.998 -8.930 1.00 62.44 O ATOM 0 H GLY A 35 2.252 -4.343 -11.431 1.00 42.15 H new ATOM 0 HA2 GLY A 35 1.108 -6.927 -11.160 1.00 33.03 H new ATOM 0 HA3 GLY A 35 2.812 -7.006 -10.760 1.00 33.03 H new ATOM 552 N HIS A 36 0.524 -6.108 -8.874 1.00 73.21 N ATOM 553 CA HIS A 36 0.065 -5.476 -7.629 1.00 41.33 C ATOM 554 C HIS A 36 -0.646 -6.468 -6.700 1.00 71.31 C ATOM 555 O HIS A 36 -0.974 -7.590 -7.096 1.00 1.43 O ATOM 556 CB HIS A 36 -0.881 -4.314 -7.963 1.00 43.53 C ATOM 557 CG HIS A 36 -2.046 -4.718 -8.819 1.00 11.20 C ATOM 558 ND1 HIS A 36 -1.994 -4.736 -10.195 1.00 24.04 N ATOM 559 CD2 HIS A 36 -3.296 -5.121 -8.492 1.00 23.30 C ATOM 560 CE1 HIS A 36 -3.155 -5.127 -10.676 1.00 33.25 C ATOM 561 NE2 HIS A 36 -3.964 -5.369 -9.667 1.00 22.52 N ATOM 0 H HIS A 36 -0.102 -6.826 -9.238 1.00 73.21 H new ATOM 0 HA HIS A 36 0.946 -5.109 -7.102 1.00 41.33 H new ATOM 0 HB2 HIS A 36 -1.255 -3.882 -7.035 1.00 43.53 H new ATOM 0 HB3 HIS A 36 -0.318 -3.533 -8.474 1.00 43.53 H new ATOM 0 HD1 HIS A 36 -1.180 -4.485 -10.756 1.00 24.04 H new ATOM 0 HD2 HIS A 36 -3.694 -5.228 -7.494 1.00 23.30 H new ATOM 0 HE1 HIS A 36 -3.402 -5.232 -11.722 1.00 33.25 H new ATOM 570 N ILE A 37 -0.893 -6.034 -5.465 1.00 3.33 N ATOM 571 CA ILE A 37 -1.671 -6.823 -4.506 1.00 73.40 C ATOM 572 C ILE A 37 -3.115 -7.004 -5.001 1.00 40.35 C ATOM 573 O ILE A 37 -3.708 -6.083 -5.569 1.00 4.44 O ATOM 574 CB ILE A 37 -1.677 -6.158 -3.102 1.00 20.20 C ATOM 575 CG1 ILE A 37 -0.259 -6.164 -2.504 1.00 65.45 C ATOM 576 CG2 ILE A 37 -2.662 -6.859 -2.163 1.00 12.43 C ATOM 577 CD1 ILE A 37 -0.157 -5.496 -1.146 1.00 73.31 C ATOM 0 H ILE A 37 -0.566 -5.139 -5.103 1.00 3.33 H new ATOM 0 HA ILE A 37 -1.196 -7.801 -4.422 1.00 73.40 H new ATOM 0 HB ILE A 37 -2.004 -5.125 -3.216 1.00 20.20 H new ATOM 0 HG12 ILE A 37 0.082 -7.195 -2.416 1.00 65.45 H new ATOM 0 HG13 ILE A 37 0.418 -5.662 -3.196 1.00 65.45 H new ATOM 0 HG21 ILE A 37 -2.645 -6.372 -1.188 1.00 12.43 H new ATOM 0 HG22 ILE A 37 -3.667 -6.800 -2.580 1.00 12.43 H new ATOM 0 HG23 ILE A 37 -2.377 -7.905 -2.051 1.00 12.43 H new ATOM 0 HD11 ILE A 37 0.874 -5.542 -0.794 1.00 73.31 H new ATOM 0 HD12 ILE A 37 -0.465 -4.454 -1.229 1.00 73.31 H new ATOM 0 HD13 ILE A 37 -0.806 -6.011 -0.438 1.00 73.31 H new ATOM 589 N MET A 38 -3.666 -8.197 -4.794 1.00 44.25 N ATOM 590 CA MET A 38 -5.004 -8.531 -5.273 1.00 41.44 C ATOM 591 C MET A 38 -6.081 -7.576 -4.719 1.00 32.45 C ATOM 592 O MET A 38 -6.517 -7.709 -3.576 1.00 73.14 O ATOM 593 CB MET A 38 -5.330 -9.976 -4.885 1.00 73.24 C ATOM 594 CG MET A 38 -6.539 -10.538 -5.602 1.00 60.15 C ATOM 595 SD MET A 38 -6.813 -12.276 -5.226 1.00 0.03 S ATOM 596 CE MET A 38 -7.885 -12.716 -6.585 1.00 11.44 C ATOM 0 H MET A 38 -3.202 -8.955 -4.293 1.00 44.25 H new ATOM 0 HA MET A 38 -5.010 -8.421 -6.357 1.00 41.44 H new ATOM 0 HB2 MET A 38 -4.466 -10.605 -5.100 1.00 73.24 H new ATOM 0 HB3 MET A 38 -5.501 -10.025 -3.810 1.00 73.24 H new ATOM 0 HG2 MET A 38 -7.423 -9.965 -5.322 1.00 60.15 H new ATOM 0 HG3 MET A 38 -6.409 -10.418 -6.677 1.00 60.15 H new ATOM 0 HE1 MET A 38 -8.156 -13.769 -6.509 1.00 11.44 H new ATOM 0 HE2 MET A 38 -8.788 -12.106 -6.549 1.00 11.44 H new ATOM 0 HE3 MET A 38 -7.367 -12.542 -7.528 1.00 11.44 H new ATOM 606 N GLY A 39 -6.490 -6.607 -5.540 1.00 33.33 N ATOM 607 CA GLY A 39 -7.565 -5.690 -5.155 1.00 32.52 C ATOM 608 C GLY A 39 -7.084 -4.394 -4.496 1.00 2.13 C ATOM 609 O GLY A 39 -7.859 -3.724 -3.810 1.00 5.43 O ATOM 0 H GLY A 39 -6.098 -6.437 -6.466 1.00 33.33 H new ATOM 0 HA2 GLY A 39 -8.147 -5.438 -6.042 1.00 32.52 H new ATOM 0 HA3 GLY A 39 -8.237 -6.205 -4.468 1.00 32.52 H new ATOM 613 N ALA A 40 -5.819 -4.030 -4.707 1.00 60.41 N ATOM 614 CA ALA A 40 -5.261 -2.800 -4.123 1.00 41.32 C ATOM 615 C ALA A 40 -5.629 -1.544 -4.935 1.00 13.13 C ATOM 616 O ALA A 40 -5.902 -1.616 -6.136 1.00 34.24 O ATOM 617 CB ALA A 40 -3.747 -2.906 -4.004 1.00 13.32 C ATOM 0 H ALA A 40 -5.160 -4.563 -5.275 1.00 60.41 H new ATOM 0 HA ALA A 40 -5.702 -2.694 -3.132 1.00 41.32 H new ATOM 0 HB1 ALA A 40 -3.351 -1.988 -3.570 1.00 13.32 H new ATOM 0 HB2 ALA A 40 -3.491 -3.750 -3.364 1.00 13.32 H new ATOM 0 HB3 ALA A 40 -3.314 -3.056 -4.993 1.00 13.32 H new ATOM 623 N MET A 41 -5.610 -0.391 -4.265 1.00 41.35 N ATOM 624 CA MET A 41 -5.934 0.898 -4.897 1.00 23.32 C ATOM 625 C MET A 41 -4.739 1.473 -5.671 1.00 72.35 C ATOM 626 O MET A 41 -3.585 1.241 -5.314 1.00 13.40 O ATOM 627 CB MET A 41 -6.368 1.898 -3.826 1.00 32.00 C ATOM 628 CG MET A 41 -7.629 1.492 -3.084 1.00 53.44 C ATOM 629 SD MET A 41 -9.127 1.721 -4.071 1.00 2.34 S ATOM 630 CE MET A 41 -9.125 3.501 -4.311 1.00 42.31 C ATOM 0 H MET A 41 -5.372 -0.319 -3.276 1.00 41.35 H new ATOM 0 HA MET A 41 -6.743 0.725 -5.606 1.00 23.32 H new ATOM 0 HB2 MET A 41 -5.558 2.021 -3.107 1.00 32.00 H new ATOM 0 HB3 MET A 41 -6.529 2.870 -4.293 1.00 32.00 H new ATOM 0 HG2 MET A 41 -7.550 0.446 -2.789 1.00 53.44 H new ATOM 0 HG3 MET A 41 -7.710 2.077 -2.168 1.00 53.44 H new ATOM 0 HE1 MET A 41 -10.082 3.813 -4.730 1.00 42.31 H new ATOM 0 HE2 MET A 41 -8.969 3.997 -3.353 1.00 42.31 H new ATOM 0 HE3 MET A 41 -8.323 3.775 -4.996 1.00 42.31 H new ATOM 640 N ALA A 42 -5.027 2.243 -6.717 1.00 54.44 N ATOM 641 CA ALA A 42 -3.979 2.858 -7.536 1.00 13.42 C ATOM 642 C ALA A 42 -3.764 4.333 -7.162 1.00 21.12 C ATOM 643 O ALA A 42 -4.493 5.216 -7.620 1.00 74.31 O ATOM 644 CB ALA A 42 -4.321 2.727 -9.018 1.00 23.24 C ATOM 0 H ALA A 42 -5.977 2.458 -7.020 1.00 54.44 H new ATOM 0 HA ALA A 42 -3.047 2.328 -7.339 1.00 13.42 H new ATOM 0 HB1 ALA A 42 -3.534 3.188 -9.615 1.00 23.24 H new ATOM 0 HB2 ALA A 42 -4.405 1.672 -9.280 1.00 23.24 H new ATOM 0 HB3 ALA A 42 -5.269 3.227 -9.218 1.00 23.24 H new ATOM 650 N MET A 43 -2.772 4.594 -6.315 1.00 51.12 N ATOM 651 CA MET A 43 -2.400 5.966 -5.949 1.00 65.33 C ATOM 652 C MET A 43 -0.911 6.226 -6.222 1.00 12.00 C ATOM 653 O MET A 43 -0.075 6.048 -5.337 1.00 40.32 O ATOM 654 CB MET A 43 -2.709 6.261 -4.469 1.00 11.43 C ATOM 655 CG MET A 43 -4.181 6.521 -4.166 1.00 53.31 C ATOM 656 SD MET A 43 -5.138 5.034 -3.839 1.00 43.03 S ATOM 657 CE MET A 43 -6.680 5.770 -3.293 1.00 52.03 C ATOM 0 H MET A 43 -2.207 3.874 -5.866 1.00 51.12 H new ATOM 0 HA MET A 43 -2.999 6.633 -6.569 1.00 65.33 H new ATOM 0 HB2 MET A 43 -2.371 5.418 -3.866 1.00 11.43 H new ATOM 0 HB3 MET A 43 -2.129 7.129 -4.157 1.00 11.43 H new ATOM 0 HG2 MET A 43 -4.252 7.183 -3.303 1.00 53.31 H new ATOM 0 HG3 MET A 43 -4.627 7.049 -5.009 1.00 53.31 H new ATOM 0 HE1 MET A 43 -7.116 5.158 -2.503 1.00 52.03 H new ATOM 0 HE2 MET A 43 -6.489 6.773 -2.911 1.00 52.03 H new ATOM 0 HE3 MET A 43 -7.373 5.827 -4.132 1.00 52.03 H new ATOM 667 N PRO A 44 -0.556 6.664 -7.448 1.00 43.42 N ATOM 668 CA PRO A 44 0.847 6.919 -7.808 1.00 13.00 C ATOM 669 C PRO A 44 1.468 7.990 -6.886 1.00 43.35 C ATOM 670 O PRO A 44 0.901 9.067 -6.710 1.00 33.34 O ATOM 671 CB PRO A 44 0.780 7.380 -9.281 1.00 74.03 C ATOM 672 CG PRO A 44 -0.592 7.015 -9.759 1.00 5.04 C ATOM 673 CD PRO A 44 -1.483 6.978 -8.547 1.00 22.55 C ATOM 0 HA PRO A 44 1.484 6.043 -7.689 1.00 13.00 H new ATOM 0 HB2 PRO A 44 0.950 8.453 -9.363 1.00 74.03 H new ATOM 0 HB3 PRO A 44 1.547 6.889 -9.880 1.00 74.03 H new ATOM 0 HG2 PRO A 44 -0.955 7.744 -10.483 1.00 5.04 H new ATOM 0 HG3 PRO A 44 -0.581 6.047 -10.260 1.00 5.04 H new ATOM 0 HD2 PRO A 44 -1.985 7.933 -8.388 1.00 22.55 H new ATOM 0 HD3 PRO A 44 -2.261 6.221 -8.644 1.00 22.55 H new ATOM 681 N ILE A 45 2.631 7.675 -6.308 1.00 30.32 N ATOM 682 CA ILE A 45 3.216 8.437 -5.181 1.00 74.04 C ATOM 683 C ILE A 45 3.163 9.976 -5.344 1.00 13.42 C ATOM 684 O ILE A 45 3.105 10.707 -4.351 1.00 55.12 O ATOM 685 CB ILE A 45 4.678 7.983 -4.925 1.00 1.41 C ATOM 686 CG1 ILE A 45 5.201 8.523 -3.580 1.00 15.52 C ATOM 687 CG2 ILE A 45 5.593 8.408 -6.077 1.00 33.21 C ATOM 688 CD1 ILE A 45 6.542 7.943 -3.172 1.00 2.52 C ATOM 0 H ILE A 45 3.202 6.883 -6.604 1.00 30.32 H new ATOM 0 HA ILE A 45 2.587 8.208 -4.321 1.00 74.04 H new ATOM 0 HB ILE A 45 4.684 6.894 -4.873 1.00 1.41 H new ATOM 0 HG12 ILE A 45 5.288 9.608 -3.643 1.00 15.52 H new ATOM 0 HG13 ILE A 45 4.469 8.306 -2.802 1.00 15.52 H new ATOM 0 HG21 ILE A 45 6.612 8.078 -5.873 1.00 33.21 H new ATOM 0 HG22 ILE A 45 5.244 7.955 -7.005 1.00 33.21 H new ATOM 0 HG23 ILE A 45 5.576 9.494 -6.174 1.00 33.21 H new ATOM 0 HD11 ILE A 45 6.847 8.369 -2.216 1.00 2.52 H new ATOM 0 HD12 ILE A 45 6.456 6.861 -3.076 1.00 2.52 H new ATOM 0 HD13 ILE A 45 7.288 8.182 -3.930 1.00 2.52 H new ATOM 700 N GLU A 46 3.178 10.472 -6.579 1.00 35.11 N ATOM 701 CA GLU A 46 3.071 11.921 -6.819 1.00 45.42 C ATOM 702 C GLU A 46 1.612 12.409 -6.684 1.00 64.34 C ATOM 703 O GLU A 46 1.341 13.428 -6.044 1.00 63.04 O ATOM 704 CB GLU A 46 3.635 12.286 -8.199 1.00 2.22 C ATOM 705 CG GLU A 46 2.939 11.592 -9.365 1.00 61.20 C ATOM 706 CD GLU A 46 3.427 12.097 -10.713 1.00 32.42 C ATOM 707 OE1 GLU A 46 3.029 13.214 -11.111 1.00 74.54 O ATOM 708 OE2 GLU A 46 4.211 11.385 -11.374 1.00 62.34 O ATOM 0 H GLU A 46 3.262 9.906 -7.423 1.00 35.11 H new ATOM 0 HA GLU A 46 3.664 12.426 -6.057 1.00 45.42 H new ATOM 0 HB2 GLU A 46 3.559 13.365 -8.336 1.00 2.22 H new ATOM 0 HB3 GLU A 46 4.696 12.035 -8.223 1.00 2.22 H new ATOM 0 HG2 GLU A 46 3.109 10.517 -9.299 1.00 61.20 H new ATOM 0 HG3 GLU A 46 1.863 11.750 -9.289 1.00 61.20 H new ATOM 715 N ASP A 47 0.680 11.658 -7.273 1.00 14.55 N ATOM 716 CA ASP A 47 -0.758 11.952 -7.178 1.00 73.33 C ATOM 717 C ASP A 47 -1.341 11.517 -5.818 1.00 71.45 C ATOM 718 O ASP A 47 -2.475 11.861 -5.482 1.00 32.40 O ATOM 719 CB ASP A 47 -1.510 11.218 -8.297 1.00 45.40 C ATOM 720 CG ASP A 47 -1.368 11.868 -9.659 1.00 23.02 C ATOM 721 OD1 ASP A 47 -0.233 11.974 -10.164 1.00 4.11 O ATOM 722 OD2 ASP A 47 -2.401 12.263 -10.242 1.00 62.30 O ATOM 0 H ASP A 47 0.896 10.830 -7.829 1.00 14.55 H new ATOM 0 HA ASP A 47 -0.881 13.030 -7.277 1.00 73.33 H new ATOM 0 HB2 ASP A 47 -1.146 10.192 -8.355 1.00 45.40 H new ATOM 0 HB3 ASP A 47 -2.568 11.166 -8.038 1.00 45.40 H new ATOM 727 N LEU A 48 -0.550 10.763 -5.054 1.00 62.24 N ATOM 728 CA LEU A 48 -0.991 10.121 -3.801 1.00 75.20 C ATOM 729 C LEU A 48 -1.924 10.997 -2.935 1.00 12.42 C ATOM 730 O LEU A 48 -3.044 10.590 -2.625 1.00 25.22 O ATOM 731 CB LEU A 48 0.242 9.710 -2.986 1.00 12.54 C ATOM 732 CG LEU A 48 -0.045 9.062 -1.622 1.00 62.44 C ATOM 733 CD1 LEU A 48 -0.820 7.758 -1.785 1.00 71.04 C ATOM 734 CD2 LEU A 48 1.254 8.828 -0.860 1.00 55.54 C ATOM 0 H LEU A 48 0.426 10.575 -5.284 1.00 62.24 H new ATOM 0 HA LEU A 48 -1.582 9.251 -4.088 1.00 75.20 H new ATOM 0 HB2 LEU A 48 0.832 9.013 -3.581 1.00 12.54 H new ATOM 0 HB3 LEU A 48 0.859 10.594 -2.825 1.00 12.54 H new ATOM 0 HG LEU A 48 -0.665 9.747 -1.045 1.00 62.44 H new ATOM 0 HD11 LEU A 48 -1.009 7.322 -0.804 1.00 71.04 H new ATOM 0 HD12 LEU A 48 -1.769 7.959 -2.282 1.00 71.04 H new ATOM 0 HD13 LEU A 48 -0.236 7.061 -2.386 1.00 71.04 H new ATOM 0 HD21 LEU A 48 1.033 8.369 0.103 1.00 55.54 H new ATOM 0 HD22 LEU A 48 1.900 8.167 -1.437 1.00 55.54 H new ATOM 0 HD23 LEU A 48 1.759 9.781 -0.700 1.00 55.54 H new ATOM 746 N VAL A 49 -1.462 12.187 -2.547 1.00 61.14 N ATOM 747 CA VAL A 49 -2.231 13.072 -1.652 1.00 43.23 C ATOM 748 C VAL A 49 -3.670 13.319 -2.157 1.00 71.43 C ATOM 749 O VAL A 49 -4.646 13.100 -1.433 1.00 0.32 O ATOM 750 CB VAL A 49 -1.512 14.435 -1.470 1.00 62.13 C ATOM 751 CG1 VAL A 49 -2.319 15.364 -0.562 1.00 1.22 C ATOM 752 CG2 VAL A 49 -0.098 14.228 -0.921 1.00 53.21 C ATOM 0 H VAL A 49 -0.560 12.566 -2.835 1.00 61.14 H new ATOM 0 HA VAL A 49 -2.294 12.557 -0.693 1.00 43.23 H new ATOM 0 HB VAL A 49 -1.433 14.910 -2.448 1.00 62.13 H new ATOM 0 HG11 VAL A 49 -1.793 16.312 -0.451 1.00 1.22 H new ATOM 0 HG12 VAL A 49 -3.299 15.543 -1.003 1.00 1.22 H new ATOM 0 HG13 VAL A 49 -2.441 14.900 0.417 1.00 1.22 H new ATOM 0 HG21 VAL A 49 0.391 15.195 -0.800 1.00 53.21 H new ATOM 0 HG22 VAL A 49 -0.153 13.726 0.045 1.00 53.21 H new ATOM 0 HG23 VAL A 49 0.476 13.616 -1.616 1.00 53.21 H new ATOM 762 N ASP A 50 -3.791 13.760 -3.407 1.00 21.34 N ATOM 763 CA ASP A 50 -5.102 14.034 -4.014 1.00 52.02 C ATOM 764 C ASP A 50 -5.918 12.743 -4.218 1.00 43.43 C ATOM 765 O ASP A 50 -7.101 12.681 -3.872 1.00 71.10 O ATOM 766 CB ASP A 50 -4.911 14.765 -5.349 1.00 24.12 C ATOM 767 CG ASP A 50 -4.185 16.088 -5.177 1.00 23.22 C ATOM 768 OD1 ASP A 50 -2.938 16.086 -5.113 1.00 1.20 O ATOM 769 OD2 ASP A 50 -4.858 17.139 -5.093 1.00 32.40 O ATOM 0 H ASP A 50 -2.999 13.937 -4.025 1.00 21.34 H new ATOM 0 HA ASP A 50 -5.666 14.669 -3.330 1.00 52.02 H new ATOM 0 HB2 ASP A 50 -4.348 14.129 -6.033 1.00 24.12 H new ATOM 0 HB3 ASP A 50 -5.884 14.943 -5.807 1.00 24.12 H new ATOM 774 N ARG A 51 -5.273 11.710 -4.760 1.00 50.20 N ATOM 775 CA ARG A 51 -5.933 10.418 -5.012 1.00 35.12 C ATOM 776 C ARG A 51 -6.519 9.824 -3.724 1.00 21.42 C ATOM 777 O ARG A 51 -7.637 9.309 -3.718 1.00 24.44 O ATOM 778 CB ARG A 51 -4.942 9.416 -5.622 1.00 2.11 C ATOM 779 CG ARG A 51 -4.336 9.868 -6.940 1.00 11.04 C ATOM 780 CD ARG A 51 -5.388 10.019 -8.024 1.00 0.25 C ATOM 781 NE ARG A 51 -4.874 10.770 -9.171 1.00 54.42 N ATOM 782 CZ ARG A 51 -5.489 10.886 -10.314 1.00 25.12 C ATOM 783 NH1 ARG A 51 -6.598 10.259 -10.536 1.00 74.23 N ATOM 784 NH2 ARG A 51 -4.976 11.624 -11.243 1.00 2.20 N ATOM 0 H ARG A 51 -4.291 11.738 -5.035 1.00 50.20 H new ATOM 0 HA ARG A 51 -6.747 10.603 -5.713 1.00 35.12 H new ATOM 0 HB2 ARG A 51 -4.139 9.235 -4.908 1.00 2.11 H new ATOM 0 HB3 ARG A 51 -5.452 8.465 -5.776 1.00 2.11 H new ATOM 0 HG2 ARG A 51 -3.823 10.819 -6.797 1.00 11.04 H new ATOM 0 HG3 ARG A 51 -3.585 9.146 -7.261 1.00 11.04 H new ATOM 0 HD2 ARG A 51 -5.718 9.033 -8.352 1.00 0.25 H new ATOM 0 HD3 ARG A 51 -6.261 10.528 -7.616 1.00 0.25 H new ATOM 0 HE ARG A 51 -3.972 11.235 -9.068 1.00 54.42 H new ATOM 0 HH11 ARG A 51 -7.002 9.665 -9.812 1.00 74.23 H new ATOM 0 HH12 ARG A 51 -7.069 10.359 -11.435 1.00 74.23 H new ATOM 0 HH21 ARG A 51 -4.095 12.111 -11.079 1.00 2.20 H new ATOM 0 HH22 ARG A 51 -5.452 11.719 -12.140 1.00 2.20 H new ATOM 798 N ALA A 52 -5.756 9.902 -2.640 1.00 53.33 N ATOM 799 CA ALA A 52 -6.176 9.345 -1.354 1.00 14.20 C ATOM 800 C ALA A 52 -7.319 10.160 -0.728 1.00 22.23 C ATOM 801 O ALA A 52 -8.380 9.622 -0.420 1.00 72.32 O ATOM 802 CB ALA A 52 -4.986 9.276 -0.403 1.00 62.34 C ATOM 0 H ALA A 52 -4.838 10.347 -2.624 1.00 53.33 H new ATOM 0 HA ALA A 52 -6.553 8.338 -1.531 1.00 14.20 H new ATOM 0 HB1 ALA A 52 -5.307 8.860 0.552 1.00 62.34 H new ATOM 0 HB2 ALA A 52 -4.212 8.640 -0.834 1.00 62.34 H new ATOM 0 HB3 ALA A 52 -4.587 10.278 -0.247 1.00 62.34 H new ATOM 808 N SER A 53 -7.108 11.467 -0.574 1.00 52.41 N ATOM 809 CA SER A 53 -8.104 12.350 0.063 1.00 52.45 C ATOM 810 C SER A 53 -9.478 12.269 -0.624 1.00 41.24 C ATOM 811 O SER A 53 -10.516 12.415 0.026 1.00 4.44 O ATOM 812 CB SER A 53 -7.614 13.805 0.054 1.00 3.25 C ATOM 813 OG SER A 53 -7.354 14.257 -1.269 1.00 50.14 O ATOM 0 H SER A 53 -6.260 11.944 -0.879 1.00 52.41 H new ATOM 0 HA SER A 53 -8.221 12.005 1.090 1.00 52.45 H new ATOM 0 HB2 SER A 53 -8.364 14.446 0.518 1.00 3.25 H new ATOM 0 HB3 SER A 53 -6.708 13.889 0.653 1.00 3.25 H new ATOM 0 HG SER A 53 -6.464 13.956 -1.548 1.00 50.14 H new ATOM 819 N SER A 54 -9.475 12.029 -1.935 1.00 42.45 N ATOM 820 CA SER A 54 -10.716 11.956 -2.726 1.00 41.50 C ATOM 821 C SER A 54 -11.627 10.800 -2.286 1.00 34.21 C ATOM 822 O SER A 54 -12.836 10.975 -2.113 1.00 40.31 O ATOM 823 CB SER A 54 -10.389 11.778 -4.216 1.00 13.33 C ATOM 824 OG SER A 54 -9.932 10.461 -4.491 1.00 52.22 O ATOM 0 H SER A 54 -8.625 11.880 -2.479 1.00 42.45 H new ATOM 0 HA SER A 54 -11.245 12.894 -2.558 1.00 41.50 H new ATOM 0 HB2 SER A 54 -11.276 11.989 -4.813 1.00 13.33 H new ATOM 0 HB3 SER A 54 -9.627 12.499 -4.512 1.00 13.33 H new ATOM 0 HG SER A 54 -9.016 10.357 -4.159 1.00 52.22 H new ATOM 830 N SER A 55 -11.043 9.615 -2.114 1.00 20.14 N ATOM 831 CA SER A 55 -11.824 8.386 -1.887 1.00 71.14 C ATOM 832 C SER A 55 -11.437 7.668 -0.584 1.00 50.32 C ATOM 833 O SER A 55 -11.865 6.537 -0.346 1.00 34.42 O ATOM 834 CB SER A 55 -11.628 7.434 -3.075 1.00 52.31 C ATOM 835 OG SER A 55 -11.981 8.059 -4.304 1.00 4.33 O ATOM 0 H SER A 55 -10.033 9.473 -2.126 1.00 20.14 H new ATOM 0 HA SER A 55 -12.870 8.677 -1.795 1.00 71.14 H new ATOM 0 HB2 SER A 55 -10.588 7.109 -3.115 1.00 52.31 H new ATOM 0 HB3 SER A 55 -12.236 6.541 -2.932 1.00 52.31 H new ATOM 0 HG SER A 55 -11.376 8.811 -4.474 1.00 4.33 H new ATOM 841 N LEU A 56 -10.638 8.318 0.258 1.00 53.42 N ATOM 842 CA LEU A 56 -10.203 7.714 1.527 1.00 52.01 C ATOM 843 C LEU A 56 -10.470 8.634 2.724 1.00 5.12 C ATOM 844 O LEU A 56 -10.785 9.815 2.570 1.00 13.24 O ATOM 845 CB LEU A 56 -8.711 7.361 1.475 1.00 65.51 C ATOM 846 CG LEU A 56 -8.325 6.318 0.420 1.00 44.52 C ATOM 847 CD1 LEU A 56 -6.821 6.096 0.425 1.00 23.42 C ATOM 848 CD2 LEU A 56 -9.070 5.008 0.667 1.00 51.42 C ATOM 0 H LEU A 56 -10.277 9.257 0.092 1.00 53.42 H new ATOM 0 HA LEU A 56 -10.789 6.805 1.662 1.00 52.01 H new ATOM 0 HB2 LEU A 56 -8.144 8.273 1.286 1.00 65.51 H new ATOM 0 HB3 LEU A 56 -8.406 6.994 2.455 1.00 65.51 H new ATOM 0 HG LEU A 56 -8.613 6.691 -0.563 1.00 44.52 H new ATOM 0 HD11 LEU A 56 -6.560 5.353 -0.329 1.00 23.42 H new ATOM 0 HD12 LEU A 56 -6.314 7.034 0.200 1.00 23.42 H new ATOM 0 HD13 LEU A 56 -6.509 5.741 1.407 1.00 23.42 H new ATOM 0 HD21 LEU A 56 -8.784 4.279 -0.091 1.00 51.42 H new ATOM 0 HD22 LEU A 56 -8.814 4.624 1.655 1.00 51.42 H new ATOM 0 HD23 LEU A 56 -10.144 5.185 0.614 1.00 51.42 H new ATOM 860 N GLU A 57 -10.314 8.079 3.921 1.00 60.45 N ATOM 861 CA GLU A 57 -10.577 8.798 5.167 1.00 45.53 C ATOM 862 C GLU A 57 -9.310 8.898 6.029 1.00 5.33 C ATOM 863 O GLU A 57 -8.546 7.942 6.134 1.00 62.33 O ATOM 864 CB GLU A 57 -11.696 8.082 5.935 1.00 75.40 C ATOM 865 CG GLU A 57 -11.926 8.604 7.343 1.00 61.22 C ATOM 866 CD GLU A 57 -13.130 7.968 8.012 1.00 52.00 C ATOM 867 OE1 GLU A 57 -12.996 6.857 8.565 1.00 33.33 O ATOM 868 OE2 GLU A 57 -14.218 8.580 7.976 1.00 54.33 O ATOM 0 H GLU A 57 -10.002 7.118 4.057 1.00 60.45 H new ATOM 0 HA GLU A 57 -10.891 9.814 4.928 1.00 45.53 H new ATOM 0 HB2 GLU A 57 -12.624 8.174 5.371 1.00 75.40 H new ATOM 0 HB3 GLU A 57 -11.460 7.019 5.989 1.00 75.40 H new ATOM 0 HG2 GLU A 57 -11.038 8.415 7.946 1.00 61.22 H new ATOM 0 HG3 GLU A 57 -12.063 9.685 7.308 1.00 61.22 H new ATOM 875 N LYS A 58 -9.098 10.060 6.650 1.00 21.33 N ATOM 876 CA LYS A 58 -7.932 10.279 7.520 1.00 73.32 C ATOM 877 C LYS A 58 -7.937 9.299 8.711 1.00 73.24 C ATOM 878 O LYS A 58 -6.885 8.928 9.241 1.00 63.22 O ATOM 879 CB LYS A 58 -7.927 11.730 8.036 1.00 4.32 C ATOM 880 CG LYS A 58 -8.085 12.784 6.938 1.00 3.43 C ATOM 881 CD LYS A 58 -6.881 12.838 6.002 1.00 61.23 C ATOM 882 CE LYS A 58 -7.114 13.786 4.830 1.00 53.34 C ATOM 883 NZ LYS A 58 -7.319 15.192 5.272 1.00 71.01 N ATOM 0 H LYS A 58 -9.717 10.867 6.569 1.00 21.33 H new ATOM 0 HA LYS A 58 -7.031 10.099 6.933 1.00 73.32 H new ATOM 0 HB2 LYS A 58 -8.734 11.850 8.759 1.00 4.32 H new ATOM 0 HB3 LYS A 58 -6.993 11.912 8.568 1.00 4.32 H new ATOM 0 HG2 LYS A 58 -8.982 12.568 6.358 1.00 3.43 H new ATOM 0 HG3 LYS A 58 -8.229 13.762 7.396 1.00 3.43 H new ATOM 0 HD2 LYS A 58 -6.002 13.160 6.560 1.00 61.23 H new ATOM 0 HD3 LYS A 58 -6.670 11.838 5.624 1.00 61.23 H new ATOM 0 HE2 LYS A 58 -6.260 13.741 4.154 1.00 53.34 H new ATOM 0 HE3 LYS A 58 -7.985 13.454 4.265 1.00 53.34 H new ATOM 0 HZ1 LYS A 58 -7.423 15.806 4.439 1.00 71.01 H new ATOM 0 HZ2 LYS A 58 -8.178 15.251 5.855 1.00 71.01 H new ATOM 0 HZ3 LYS A 58 -6.499 15.503 5.832 1.00 71.01 H new ATOM 897 N SER A 59 -9.137 8.885 9.118 1.00 64.13 N ATOM 898 CA SER A 59 -9.312 7.938 10.234 1.00 34.13 C ATOM 899 C SER A 59 -9.251 6.475 9.760 1.00 74.33 C ATOM 900 O SER A 59 -8.991 5.568 10.551 1.00 63.04 O ATOM 901 CB SER A 59 -10.654 8.196 10.938 1.00 71.00 C ATOM 902 OG SER A 59 -10.888 7.262 11.980 1.00 23.24 O ATOM 0 H SER A 59 -10.012 9.190 8.692 1.00 64.13 H new ATOM 0 HA SER A 59 -8.490 8.099 10.932 1.00 34.13 H new ATOM 0 HB2 SER A 59 -10.662 9.207 11.346 1.00 71.00 H new ATOM 0 HB3 SER A 59 -11.463 8.140 10.210 1.00 71.00 H new ATOM 0 HG SER A 59 -11.749 7.457 12.407 1.00 23.24 H new ATOM 908 N ARG A 60 -9.472 6.260 8.464 1.00 21.13 N ATOM 909 CA ARG A 60 -9.495 4.911 7.875 1.00 63.54 C ATOM 910 C ARG A 60 -8.148 4.190 8.047 1.00 73.30 C ATOM 911 O ARG A 60 -7.094 4.753 7.757 1.00 33.40 O ATOM 912 CB ARG A 60 -9.840 5.011 6.379 1.00 72.05 C ATOM 913 CG ARG A 60 -9.847 3.684 5.608 1.00 13.30 C ATOM 914 CD ARG A 60 -11.006 2.770 6.008 1.00 41.44 C ATOM 915 NE ARG A 60 -10.681 1.903 7.142 1.00 44.50 N ATOM 916 CZ ARG A 60 -11.440 1.757 8.196 1.00 41.41 C ATOM 917 NH1 ARG A 60 -12.504 2.477 8.354 1.00 4.21 N ATOM 918 NH2 ARG A 60 -11.123 0.891 9.099 1.00 73.33 N ATOM 0 H ARG A 60 -9.640 7.008 7.791 1.00 21.13 H new ATOM 0 HA ARG A 60 -10.254 4.329 8.398 1.00 63.54 H new ATOM 0 HB2 ARG A 60 -10.823 5.472 6.282 1.00 72.05 H new ATOM 0 HB3 ARG A 60 -9.125 5.682 5.904 1.00 72.05 H new ATOM 0 HG2 ARG A 60 -9.906 3.891 4.539 1.00 13.30 H new ATOM 0 HG3 ARG A 60 -8.905 3.164 5.781 1.00 13.30 H new ATOM 0 HD2 ARG A 60 -11.873 3.380 6.260 1.00 41.44 H new ATOM 0 HD3 ARG A 60 -11.287 2.153 5.154 1.00 41.44 H new ATOM 0 HE ARG A 60 -9.806 1.379 7.107 1.00 44.50 H new ATOM 0 HH11 ARG A 60 -12.760 3.170 7.651 1.00 4.21 H new ATOM 0 HH12 ARG A 60 -13.086 2.352 9.182 1.00 4.21 H new ATOM 0 HH21 ARG A 60 -10.283 0.323 8.989 1.00 73.33 H new ATOM 0 HH22 ARG A 60 -11.713 0.774 9.923 1.00 73.33 H new ATOM 932 N ASP A 61 -8.195 2.950 8.536 1.00 3.50 N ATOM 933 CA ASP A 61 -7.001 2.100 8.615 1.00 54.23 C ATOM 934 C ASP A 61 -6.432 1.838 7.205 1.00 61.22 C ATOM 935 O ASP A 61 -7.053 1.153 6.384 1.00 0.22 O ATOM 936 CB ASP A 61 -7.349 0.779 9.319 1.00 33.25 C ATOM 937 CG ASP A 61 -6.154 -0.150 9.468 1.00 13.12 C ATOM 938 OD1 ASP A 61 -5.872 -0.911 8.527 1.00 23.33 O ATOM 939 OD2 ASP A 61 -5.503 -0.126 10.538 1.00 43.14 O ATOM 0 H ASP A 61 -9.047 2.510 8.884 1.00 3.50 H new ATOM 0 HA ASP A 61 -6.235 2.614 9.196 1.00 54.23 H new ATOM 0 HB2 ASP A 61 -7.758 0.997 10.306 1.00 33.25 H new ATOM 0 HB3 ASP A 61 -8.130 0.269 8.756 1.00 33.25 H new ATOM 944 N ILE A 62 -5.263 2.412 6.923 1.00 72.52 N ATOM 945 CA ILE A 62 -4.652 2.327 5.591 1.00 2.25 C ATOM 946 C ILE A 62 -3.235 1.735 5.641 1.00 2.23 C ATOM 947 O ILE A 62 -2.411 2.132 6.464 1.00 61.24 O ATOM 948 CB ILE A 62 -4.584 3.729 4.929 1.00 33.54 C ATOM 949 CG1 ILE A 62 -6.000 4.295 4.720 1.00 74.41 C ATOM 950 CG2 ILE A 62 -3.823 3.670 3.604 1.00 24.34 C ATOM 951 CD1 ILE A 62 -6.024 5.693 4.134 1.00 34.43 C ATOM 0 H ILE A 62 -4.716 2.944 7.600 1.00 72.52 H new ATOM 0 HA ILE A 62 -5.285 1.664 5.000 1.00 2.25 H new ATOM 0 HB ILE A 62 -4.042 4.397 5.599 1.00 33.54 H new ATOM 0 HG12 ILE A 62 -6.554 3.626 4.061 1.00 74.41 H new ATOM 0 HG13 ILE A 62 -6.522 4.304 5.677 1.00 74.41 H new ATOM 0 HG21 ILE A 62 -3.789 4.665 3.159 1.00 24.34 H new ATOM 0 HG22 ILE A 62 -2.807 3.318 3.783 1.00 24.34 H new ATOM 0 HG23 ILE A 62 -4.330 2.986 2.924 1.00 24.34 H new ATOM 0 HD11 ILE A 62 -7.057 6.021 4.017 1.00 34.43 H new ATOM 0 HD12 ILE A 62 -5.500 6.376 4.802 1.00 34.43 H new ATOM 0 HD13 ILE A 62 -5.533 5.688 3.161 1.00 34.43 H new ATOM 963 N TYR A 63 -2.958 0.787 4.744 1.00 44.11 N ATOM 964 CA TYR A 63 -1.622 0.196 4.614 1.00 13.30 C ATOM 965 C TYR A 63 -1.050 0.445 3.210 1.00 71.55 C ATOM 966 O TYR A 63 -1.641 0.055 2.202 1.00 71.52 O ATOM 967 CB TYR A 63 -1.665 -1.307 4.925 1.00 72.23 C ATOM 968 CG TYR A 63 -2.152 -1.610 6.333 1.00 24.01 C ATOM 969 CD1 TYR A 63 -1.702 -0.864 7.414 1.00 14.10 C ATOM 970 CD2 TYR A 63 -3.060 -2.632 6.579 1.00 73.44 C ATOM 971 CE1 TYR A 63 -2.148 -1.116 8.695 1.00 61.32 C ATOM 972 CE2 TYR A 63 -3.507 -2.896 7.860 1.00 23.31 C ATOM 973 CZ TYR A 63 -3.049 -2.133 8.915 1.00 41.25 C ATOM 974 OH TYR A 63 -3.504 -2.381 10.190 1.00 2.35 O ATOM 0 H TYR A 63 -3.645 0.409 4.092 1.00 44.11 H new ATOM 0 HA TYR A 63 -0.964 0.677 5.337 1.00 13.30 H new ATOM 0 HB2 TYR A 63 -2.318 -1.802 4.206 1.00 72.23 H new ATOM 0 HB3 TYR A 63 -0.668 -1.728 4.793 1.00 72.23 H new ATOM 0 HD1 TYR A 63 -0.988 -0.070 7.249 1.00 14.10 H new ATOM 0 HD2 TYR A 63 -3.423 -3.230 5.756 1.00 73.44 H new ATOM 0 HE1 TYR A 63 -1.792 -0.518 9.521 1.00 61.32 H new ATOM 0 HE2 TYR A 63 -4.211 -3.696 8.035 1.00 23.31 H new ATOM 0 HH TYR A 63 -4.172 -1.708 10.436 1.00 2.35 H new ATOM 984 N VAL A 64 0.104 1.098 3.159 1.00 12.54 N ATOM 985 CA VAL A 64 0.725 1.514 1.896 1.00 31.22 C ATOM 986 C VAL A 64 1.924 0.632 1.536 1.00 42.41 C ATOM 987 O VAL A 64 2.697 0.241 2.409 1.00 22.33 O ATOM 988 CB VAL A 64 1.193 2.986 1.999 1.00 33.21 C ATOM 989 CG1 VAL A 64 1.953 3.419 0.751 1.00 31.14 C ATOM 990 CG2 VAL A 64 0.004 3.906 2.261 1.00 72.14 C ATOM 0 H VAL A 64 0.640 1.357 3.988 1.00 12.54 H new ATOM 0 HA VAL A 64 -0.025 1.410 1.112 1.00 31.22 H new ATOM 0 HB VAL A 64 1.881 3.061 2.841 1.00 33.21 H new ATOM 0 HG11 VAL A 64 2.266 4.457 0.858 1.00 31.14 H new ATOM 0 HG12 VAL A 64 2.831 2.786 0.622 1.00 31.14 H new ATOM 0 HG13 VAL A 64 1.306 3.323 -0.121 1.00 31.14 H new ATOM 0 HG21 VAL A 64 0.350 4.937 2.331 1.00 72.14 H new ATOM 0 HG22 VAL A 64 -0.711 3.818 1.443 1.00 72.14 H new ATOM 0 HG23 VAL A 64 -0.477 3.621 3.196 1.00 72.14 H new ATOM 1000 N TYR A 65 2.083 0.323 0.247 1.00 73.14 N ATOM 1001 CA TYR A 65 3.238 -0.452 -0.206 1.00 53.40 C ATOM 1002 C TYR A 65 3.846 0.117 -1.501 1.00 25.23 C ATOM 1003 O TYR A 65 3.142 0.421 -2.470 1.00 64.21 O ATOM 1004 CB TYR A 65 2.863 -1.936 -0.378 1.00 11.43 C ATOM 1005 CG TYR A 65 2.037 -2.270 -1.609 1.00 70.45 C ATOM 1006 CD1 TYR A 65 0.724 -1.830 -1.751 1.00 3.54 C ATOM 1007 CD2 TYR A 65 2.577 -3.041 -2.628 1.00 43.31 C ATOM 1008 CE1 TYR A 65 -0.019 -2.157 -2.873 1.00 62.10 C ATOM 1009 CE2 TYR A 65 1.843 -3.374 -3.746 1.00 30.13 C ATOM 1010 CZ TYR A 65 0.548 -2.931 -3.866 1.00 1.54 C ATOM 1011 OH TYR A 65 -0.185 -3.267 -4.983 1.00 2.22 O ATOM 0 H TYR A 65 1.435 0.594 -0.493 1.00 73.14 H new ATOM 0 HA TYR A 65 4.004 -0.375 0.566 1.00 53.40 H new ATOM 0 HB2 TYR A 65 3.781 -2.522 -0.410 1.00 11.43 H new ATOM 0 HB3 TYR A 65 2.311 -2.257 0.505 1.00 11.43 H new ATOM 0 HD1 TYR A 65 0.278 -1.225 -0.975 1.00 3.54 H new ATOM 0 HD2 TYR A 65 3.596 -3.388 -2.543 1.00 43.31 H new ATOM 0 HE1 TYR A 65 -1.037 -1.808 -2.971 1.00 62.10 H new ATOM 0 HE2 TYR A 65 2.284 -3.980 -4.524 1.00 30.13 H new ATOM 0 HH TYR A 65 0.007 -2.631 -5.704 1.00 2.22 H new ATOM 1021 N GLY A 66 5.163 0.298 -1.477 1.00 14.32 N ATOM 1022 CA GLY A 66 5.913 0.711 -2.659 1.00 50.44 C ATOM 1023 C GLY A 66 6.761 -0.423 -3.229 1.00 33.41 C ATOM 1024 O GLY A 66 6.547 -1.595 -2.908 1.00 71.14 O ATOM 0 H GLY A 66 5.737 0.164 -0.645 1.00 14.32 H new ATOM 0 HA2 GLY A 66 5.219 1.063 -3.423 1.00 50.44 H new ATOM 0 HA3 GLY A 66 6.558 1.551 -2.403 1.00 50.44 H new ATOM 1028 N ALA A 67 7.724 -0.081 -4.081 1.00 32.13 N ATOM 1029 CA ALA A 67 8.641 -1.079 -4.650 1.00 2.40 C ATOM 1030 C ALA A 67 9.724 -1.494 -3.639 1.00 23.21 C ATOM 1031 O ALA A 67 10.378 -2.527 -3.793 1.00 53.41 O ATOM 1032 CB ALA A 67 9.286 -0.536 -5.919 1.00 23.14 C ATOM 0 H ALA A 67 7.894 0.875 -4.395 1.00 32.13 H new ATOM 0 HA ALA A 67 8.057 -1.966 -4.895 1.00 2.40 H new ATOM 0 HB1 ALA A 67 9.963 -1.284 -6.332 1.00 23.14 H new ATOM 0 HB2 ALA A 67 8.512 -0.305 -6.650 1.00 23.14 H new ATOM 0 HB3 ALA A 67 9.845 0.370 -5.684 1.00 23.14 H new ATOM 1038 N GLY A 68 9.914 -0.669 -2.615 1.00 42.22 N ATOM 1039 CA GLY A 68 10.892 -0.961 -1.577 1.00 50.44 C ATOM 1040 C GLY A 68 10.649 -0.170 -0.300 1.00 44.51 C ATOM 1041 O GLY A 68 9.689 0.597 -0.209 1.00 41.53 O ATOM 0 H GLY A 68 9.404 0.205 -2.483 1.00 42.22 H new ATOM 0 HA2 GLY A 68 10.867 -2.027 -1.349 1.00 50.44 H new ATOM 0 HA3 GLY A 68 11.891 -0.739 -1.952 1.00 50.44 H new ATOM 1045 N ASP A 69 11.527 -0.350 0.682 1.00 10.42 N ATOM 1046 CA ASP A 69 11.388 0.297 1.992 1.00 64.20 C ATOM 1047 C ASP A 69 11.280 1.829 1.873 1.00 63.51 C ATOM 1048 O ASP A 69 10.423 2.450 2.506 1.00 12.30 O ATOM 1049 CB ASP A 69 12.585 -0.070 2.872 1.00 34.11 C ATOM 1050 CG ASP A 69 12.811 -1.571 2.937 1.00 52.54 C ATOM 1051 OD1 ASP A 69 13.385 -2.130 1.973 1.00 40.23 O ATOM 1052 OD2 ASP A 69 12.420 -2.200 3.942 1.00 23.52 O ATOM 0 H ASP A 69 12.352 -0.944 0.598 1.00 10.42 H new ATOM 0 HA ASP A 69 10.464 -0.063 2.444 1.00 64.20 H new ATOM 0 HB2 ASP A 69 13.481 0.414 2.484 1.00 34.11 H new ATOM 0 HB3 ASP A 69 12.425 0.316 3.879 1.00 34.11 H new ATOM 1057 N GLU A 70 12.143 2.424 1.050 1.00 33.12 N ATOM 1058 CA GLU A 70 12.200 3.886 0.897 1.00 14.02 C ATOM 1059 C GLU A 70 10.887 4.471 0.349 1.00 25.23 C ATOM 1060 O GLU A 70 10.293 5.362 0.959 1.00 54.21 O ATOM 1061 CB GLU A 70 13.365 4.264 -0.029 1.00 22.10 C ATOM 1062 CG GLU A 70 13.409 5.742 -0.407 1.00 20.13 C ATOM 1063 CD GLU A 70 14.564 6.080 -1.338 1.00 64.30 C ATOM 1064 OE1 GLU A 70 14.692 5.434 -2.403 1.00 63.40 O ATOM 1065 OE2 GLU A 70 15.357 6.987 -1.011 1.00 54.34 O ATOM 0 H GLU A 70 12.817 1.918 0.475 1.00 33.12 H new ATOM 0 HA GLU A 70 12.355 4.312 1.888 1.00 14.02 H new ATOM 0 HB2 GLU A 70 14.303 3.997 0.458 1.00 22.10 H new ATOM 0 HB3 GLU A 70 13.298 3.669 -0.940 1.00 22.10 H new ATOM 0 HG2 GLU A 70 12.470 6.017 -0.886 1.00 20.13 H new ATOM 0 HG3 GLU A 70 13.492 6.342 0.500 1.00 20.13 H new ATOM 1072 N GLN A 71 10.422 3.954 -0.786 1.00 60.45 N ATOM 1073 CA GLN A 71 9.202 4.470 -1.422 1.00 52.04 C ATOM 1074 C GLN A 71 7.972 4.222 -0.540 1.00 14.44 C ATOM 1075 O GLN A 71 7.099 5.085 -0.412 1.00 74.41 O ATOM 1076 CB GLN A 71 9.006 3.819 -2.796 1.00 71.41 C ATOM 1077 CG GLN A 71 7.812 4.357 -3.578 1.00 14.10 C ATOM 1078 CD GLN A 71 7.694 3.733 -4.958 1.00 3.13 C ATOM 1079 OE1 GLN A 71 8.058 2.579 -5.164 1.00 44.24 O ATOM 1080 NE2 GLN A 71 7.190 4.489 -5.911 1.00 54.41 N ATOM 0 H GLN A 71 10.865 3.183 -1.285 1.00 60.45 H new ATOM 0 HA GLN A 71 9.316 5.546 -1.550 1.00 52.04 H new ATOM 0 HB2 GLN A 71 9.910 3.966 -3.388 1.00 71.41 H new ATOM 0 HB3 GLN A 71 8.884 2.744 -2.662 1.00 71.41 H new ATOM 0 HG2 GLN A 71 6.898 4.166 -3.016 1.00 14.10 H new ATOM 0 HG3 GLN A 71 7.904 5.438 -3.678 1.00 14.10 H new ATOM 0 HE21 GLN A 71 6.898 5.444 -5.704 1.00 54.41 H new ATOM 0 HE22 GLN A 71 7.092 4.120 -6.857 1.00 54.41 H new ATOM 1089 N THR A 72 7.919 3.043 0.072 1.00 61.44 N ATOM 1090 CA THR A 72 6.819 2.679 0.972 1.00 21.04 C ATOM 1091 C THR A 72 6.725 3.658 2.154 1.00 14.44 C ATOM 1092 O THR A 72 5.673 4.245 2.410 1.00 40.12 O ATOM 1093 CB THR A 72 7.001 1.237 1.518 1.00 44.51 C ATOM 1094 OG1 THR A 72 7.118 0.307 0.428 1.00 33.22 O ATOM 1095 CG2 THR A 72 5.832 0.825 2.404 1.00 51.01 C ATOM 0 H THR A 72 8.627 2.317 -0.037 1.00 61.44 H new ATOM 0 HA THR A 72 5.897 2.729 0.392 1.00 21.04 H new ATOM 0 HB THR A 72 7.912 1.224 2.117 1.00 44.51 H new ATOM 0 HG1 THR A 72 8.065 0.158 0.225 1.00 33.22 H new ATOM 0 HG21 THR A 72 5.992 -0.190 2.769 1.00 51.01 H new ATOM 0 HG22 THR A 72 5.759 1.508 3.250 1.00 51.01 H new ATOM 0 HG23 THR A 72 4.908 0.862 1.827 1.00 51.01 H new ATOM 1103 N SER A 73 7.847 3.844 2.851 1.00 0.25 N ATOM 1104 CA SER A 73 7.900 4.718 4.036 1.00 31.04 C ATOM 1105 C SER A 73 7.681 6.194 3.671 1.00 63.31 C ATOM 1106 O SER A 73 7.052 6.946 4.423 1.00 0.34 O ATOM 1107 CB SER A 73 9.250 4.561 4.749 1.00 23.12 C ATOM 1108 OG SER A 73 9.276 5.277 5.977 1.00 4.21 O ATOM 0 H SER A 73 8.736 3.402 2.619 1.00 0.25 H new ATOM 0 HA SER A 73 7.092 4.412 4.701 1.00 31.04 H new ATOM 0 HB2 SER A 73 9.442 3.505 4.938 1.00 23.12 H new ATOM 0 HB3 SER A 73 10.049 4.919 4.100 1.00 23.12 H new ATOM 0 HG SER A 73 8.632 4.881 6.600 1.00 4.21 H new ATOM 1114 N GLN A 74 8.193 6.602 2.510 1.00 35.41 N ATOM 1115 CA GLN A 74 8.085 7.975 2.041 1.00 30.04 C ATOM 1116 C GLN A 74 6.626 8.351 1.734 1.00 41.34 C ATOM 1117 O GLN A 74 6.135 9.393 2.173 1.00 42.20 O ATOM 1118 CB GLN A 74 8.973 8.131 0.800 1.00 23.45 C ATOM 1119 CG GLN A 74 8.639 9.326 -0.065 1.00 31.25 C ATOM 1120 CD GLN A 74 9.528 9.435 -1.300 1.00 54.30 C ATOM 1121 OE1 GLN A 74 10.757 8.962 -1.201 1.00 0.30 O flip ATOM 1122 NE2 GLN A 74 9.113 9.939 -2.339 1.00 5.24 N flip ATOM 0 H GLN A 74 8.694 5.986 1.870 1.00 35.41 H new ATOM 0 HA GLN A 74 8.422 8.656 2.823 1.00 30.04 H new ATOM 0 HB2 GLN A 74 10.012 8.209 1.120 1.00 23.45 H new ATOM 0 HB3 GLN A 74 8.893 7.227 0.196 1.00 23.45 H new ATOM 0 HG2 GLN A 74 7.597 9.261 -0.379 1.00 31.25 H new ATOM 0 HG3 GLN A 74 8.737 10.235 0.528 1.00 31.25 H new ATOM 0 HE21 GLN A 74 8.159 10.296 -2.387 1.00 5.24 H new ATOM 0 HE22 GLN A 74 9.722 10.001 -3.155 1.00 5.24 H new ATOM 1131 N ALA A 75 5.936 7.490 0.989 1.00 43.10 N ATOM 1132 CA ALA A 75 4.527 7.718 0.649 1.00 51.32 C ATOM 1133 C ALA A 75 3.650 7.842 1.903 1.00 13.43 C ATOM 1134 O ALA A 75 2.801 8.731 1.999 1.00 1.11 O ATOM 1135 CB ALA A 75 4.025 6.591 -0.236 1.00 71.35 C ATOM 0 H ALA A 75 6.326 6.628 0.608 1.00 43.10 H new ATOM 0 HA ALA A 75 4.459 8.663 0.110 1.00 51.32 H new ATOM 0 HB1 ALA A 75 2.978 6.764 -0.486 1.00 71.35 H new ATOM 0 HB2 ALA A 75 4.616 6.556 -1.151 1.00 71.35 H new ATOM 0 HB3 ALA A 75 4.120 5.643 0.293 1.00 71.35 H new ATOM 1141 N VAL A 76 3.855 6.937 2.857 1.00 53.32 N ATOM 1142 CA VAL A 76 3.156 6.999 4.150 1.00 64.50 C ATOM 1143 C VAL A 76 3.323 8.377 4.818 1.00 2.13 C ATOM 1144 O VAL A 76 2.358 8.948 5.333 1.00 21.24 O ATOM 1145 CB VAL A 76 3.656 5.889 5.110 1.00 34.00 C ATOM 1146 CG1 VAL A 76 3.021 6.024 6.493 1.00 11.32 C ATOM 1147 CG2 VAL A 76 3.369 4.513 4.521 1.00 43.23 C ATOM 0 H VAL A 76 4.498 6.150 2.765 1.00 53.32 H new ATOM 0 HA VAL A 76 2.097 6.840 3.947 1.00 64.50 H new ATOM 0 HB VAL A 76 4.734 6.004 5.227 1.00 34.00 H new ATOM 0 HG11 VAL A 76 3.392 5.231 7.143 1.00 11.32 H new ATOM 0 HG12 VAL A 76 3.280 6.993 6.919 1.00 11.32 H new ATOM 0 HG13 VAL A 76 1.937 5.944 6.405 1.00 11.32 H new ATOM 0 HG21 VAL A 76 3.725 3.743 5.205 1.00 43.23 H new ATOM 0 HG22 VAL A 76 2.295 4.398 4.372 1.00 43.23 H new ATOM 0 HG23 VAL A 76 3.881 4.413 3.564 1.00 43.23 H new ATOM 1157 N ASN A 77 4.548 8.909 4.792 1.00 45.25 N ATOM 1158 CA ASN A 77 4.826 10.255 5.314 1.00 61.11 C ATOM 1159 C ASN A 77 3.895 11.285 4.670 1.00 70.14 C ATOM 1160 O ASN A 77 3.285 12.111 5.346 1.00 20.22 O ATOM 1161 CB ASN A 77 6.277 10.652 5.019 1.00 41.32 C ATOM 1162 CG ASN A 77 6.707 11.905 5.767 1.00 51.42 C ATOM 1163 OD1 ASN A 77 6.256 12.165 6.880 1.00 63.22 O ATOM 1164 ND2 ASN A 77 7.576 12.691 5.164 1.00 4.11 N ATOM 0 H ASN A 77 5.366 8.430 4.415 1.00 45.25 H new ATOM 0 HA ASN A 77 4.660 10.237 6.391 1.00 61.11 H new ATOM 0 HB2 ASN A 77 6.937 9.828 5.290 1.00 41.32 H new ATOM 0 HB3 ASN A 77 6.394 10.815 3.948 1.00 41.32 H new ATOM 0 HD21 ASN A 77 7.894 13.545 5.622 1.00 4.11 H new ATOM 0 HD22 ASN A 77 7.930 12.445 4.240 1.00 4.11 H new ATOM 1171 N LEU A 78 3.792 11.202 3.351 1.00 53.04 N ATOM 1172 CA LEU A 78 2.968 12.113 2.557 1.00 1.13 C ATOM 1173 C LEU A 78 1.484 12.042 2.955 1.00 51.44 C ATOM 1174 O LEU A 78 0.794 13.061 2.994 1.00 4.20 O ATOM 1175 CB LEU A 78 3.161 11.772 1.078 1.00 61.52 C ATOM 1176 CG LEU A 78 4.619 11.869 0.598 1.00 5.13 C ATOM 1177 CD1 LEU A 78 4.788 11.238 -0.777 1.00 73.40 C ATOM 1178 CD2 LEU A 78 5.086 13.324 0.593 1.00 72.53 C ATOM 0 H LEU A 78 4.279 10.499 2.795 1.00 53.04 H new ATOM 0 HA LEU A 78 3.285 13.139 2.747 1.00 1.13 H new ATOM 0 HB2 LEU A 78 2.797 10.760 0.899 1.00 61.52 H new ATOM 0 HB3 LEU A 78 2.546 12.443 0.478 1.00 61.52 H new ATOM 0 HG LEU A 78 5.243 11.311 1.296 1.00 5.13 H new ATOM 0 HD11 LEU A 78 5.829 11.322 -1.090 1.00 73.40 H new ATOM 0 HD12 LEU A 78 4.506 10.186 -0.732 1.00 73.40 H new ATOM 0 HD13 LEU A 78 4.150 11.754 -1.495 1.00 73.40 H new ATOM 0 HD21 LEU A 78 6.120 13.373 0.251 1.00 72.53 H new ATOM 0 HD22 LEU A 78 4.454 13.907 -0.077 1.00 72.53 H new ATOM 0 HD23 LEU A 78 5.018 13.731 1.602 1.00 72.53 H new ATOM 1190 N LEU A 79 1.002 10.840 3.274 1.00 21.40 N ATOM 1191 CA LEU A 79 -0.383 10.664 3.723 1.00 42.35 C ATOM 1192 C LEU A 79 -0.630 11.328 5.087 1.00 61.45 C ATOM 1193 O LEU A 79 -1.565 12.115 5.238 1.00 72.41 O ATOM 1194 CB LEU A 79 -0.755 9.178 3.781 1.00 22.40 C ATOM 1195 CG LEU A 79 -0.934 8.499 2.416 1.00 42.22 C ATOM 1196 CD1 LEU A 79 -1.321 7.035 2.588 1.00 25.31 C ATOM 1197 CD2 LEU A 79 -1.975 9.239 1.579 1.00 32.33 C ATOM 0 H LEU A 79 1.545 9.978 3.231 1.00 21.40 H new ATOM 0 HA LEU A 79 -1.023 11.157 2.991 1.00 42.35 H new ATOM 0 HB2 LEU A 79 0.019 8.647 4.335 1.00 22.40 H new ATOM 0 HB3 LEU A 79 -1.681 9.073 4.346 1.00 22.40 H new ATOM 0 HG LEU A 79 0.019 8.538 1.888 1.00 42.22 H new ATOM 0 HD11 LEU A 79 -1.443 6.573 1.608 1.00 25.31 H new ATOM 0 HD12 LEU A 79 -0.538 6.514 3.140 1.00 25.31 H new ATOM 0 HD13 LEU A 79 -2.259 6.969 3.139 1.00 25.31 H new ATOM 0 HD21 LEU A 79 -2.087 8.742 0.615 1.00 32.33 H new ATOM 0 HD22 LEU A 79 -2.931 9.236 2.102 1.00 32.33 H new ATOM 0 HD23 LEU A 79 -1.651 10.268 1.421 1.00 32.33 H new ATOM 1209 N ARG A 80 0.198 11.021 6.086 1.00 40.34 N ATOM 1210 CA ARG A 80 0.065 11.681 7.393 1.00 40.20 C ATOM 1211 C ARG A 80 0.379 13.182 7.296 1.00 71.23 C ATOM 1212 O ARG A 80 -0.108 13.978 8.097 1.00 62.31 O ATOM 1213 CB ARG A 80 0.915 10.994 8.476 1.00 61.52 C ATOM 1214 CG ARG A 80 2.315 10.575 8.045 1.00 61.14 C ATOM 1215 CD ARG A 80 3.059 9.877 9.186 1.00 2.31 C ATOM 1216 NE ARG A 80 2.202 8.920 9.898 1.00 13.52 N ATOM 1217 CZ ARG A 80 2.457 7.644 10.038 1.00 61.31 C ATOM 1218 NH1 ARG A 80 3.523 7.116 9.522 1.00 12.53 N ATOM 1219 NH2 ARG A 80 1.642 6.899 10.712 1.00 3.02 N ATOM 0 H ARG A 80 0.952 10.337 6.023 1.00 40.34 H new ATOM 0 HA ARG A 80 -0.977 11.581 7.698 1.00 40.20 H new ATOM 0 HB2 ARG A 80 1.003 11.670 9.327 1.00 61.52 H new ATOM 0 HB3 ARG A 80 0.382 10.110 8.825 1.00 61.52 H new ATOM 0 HG2 ARG A 80 2.249 9.906 7.187 1.00 61.14 H new ATOM 0 HG3 ARG A 80 2.877 11.452 7.723 1.00 61.14 H new ATOM 0 HD2 ARG A 80 3.929 9.357 8.786 1.00 2.31 H new ATOM 0 HD3 ARG A 80 3.429 10.624 9.888 1.00 2.31 H new ATOM 0 HE ARG A 80 1.342 9.277 10.315 1.00 13.52 H new ATOM 0 HH11 ARG A 80 4.177 7.697 8.998 1.00 12.53 H new ATOM 0 HH12 ARG A 80 3.707 6.120 9.640 1.00 12.53 H new ATOM 0 HH21 ARG A 80 0.806 7.307 11.131 1.00 3.02 H new ATOM 0 HH22 ARG A 80 1.835 5.904 10.825 1.00 3.02 H new ATOM 1233 N SER A 81 1.181 13.567 6.302 1.00 3.52 N ATOM 1234 CA SER A 81 1.376 14.987 5.977 1.00 15.40 C ATOM 1235 C SER A 81 0.100 15.585 5.362 1.00 72.01 C ATOM 1236 O SER A 81 -0.100 16.799 5.377 1.00 52.45 O ATOM 1237 CB SER A 81 2.548 15.175 5.003 1.00 24.14 C ATOM 1238 OG SER A 81 2.732 16.546 4.671 1.00 60.44 O ATOM 0 H SER A 81 1.704 12.923 5.709 1.00 3.52 H new ATOM 0 HA SER A 81 1.604 15.507 6.907 1.00 15.40 H new ATOM 0 HB2 SER A 81 3.461 14.782 5.450 1.00 24.14 H new ATOM 0 HB3 SER A 81 2.364 14.601 4.095 1.00 24.14 H new ATOM 0 HG SER A 81 3.486 16.634 4.051 1.00 60.44 H new ATOM 1244 N ALA A 82 -0.749 14.723 4.804 1.00 61.33 N ATOM 1245 CA ALA A 82 -2.045 15.140 4.251 1.00 52.03 C ATOM 1246 C ALA A 82 -3.171 15.019 5.295 1.00 25.13 C ATOM 1247 O ALA A 82 -4.342 15.264 4.994 1.00 24.34 O ATOM 1248 CB ALA A 82 -2.378 14.310 3.013 1.00 30.23 C ATOM 0 H ALA A 82 -0.564 13.723 4.721 1.00 61.33 H new ATOM 0 HA ALA A 82 -1.967 16.190 3.969 1.00 52.03 H new ATOM 0 HB1 ALA A 82 -3.340 14.627 2.611 1.00 30.23 H new ATOM 0 HB2 ALA A 82 -1.604 14.455 2.259 1.00 30.23 H new ATOM 0 HB3 ALA A 82 -2.428 13.256 3.284 1.00 30.23 H new ATOM 1254 N GLY A 83 -2.810 14.628 6.522 1.00 54.21 N ATOM 1255 CA GLY A 83 -3.784 14.540 7.610 1.00 55.44 C ATOM 1256 C GLY A 83 -4.133 13.112 8.028 1.00 43.12 C ATOM 1257 O GLY A 83 -4.662 12.897 9.119 1.00 53.32 O ATOM 0 H GLY A 83 -1.858 14.370 6.783 1.00 54.21 H new ATOM 0 HA2 GLY A 83 -3.393 15.074 8.476 1.00 55.44 H new ATOM 0 HA3 GLY A 83 -4.698 15.051 7.306 1.00 55.44 H new ATOM 1261 N PHE A 84 -3.848 12.137 7.163 1.00 53.05 N ATOM 1262 CA PHE A 84 -4.188 10.730 7.434 1.00 61.12 C ATOM 1263 C PHE A 84 -3.572 10.211 8.750 1.00 12.44 C ATOM 1264 O PHE A 84 -2.356 10.033 8.866 1.00 64.11 O ATOM 1265 CB PHE A 84 -3.759 9.839 6.261 1.00 31.53 C ATOM 1266 CG PHE A 84 -4.568 10.048 5.001 1.00 63.43 C ATOM 1267 CD1 PHE A 84 -4.182 10.986 4.054 1.00 12.11 C ATOM 1268 CD2 PHE A 84 -5.712 9.295 4.760 1.00 54.23 C ATOM 1269 CE1 PHE A 84 -4.918 11.173 2.900 1.00 72.24 C ATOM 1270 CE2 PHE A 84 -6.450 9.480 3.606 1.00 64.23 C ATOM 1271 CZ PHE A 84 -6.051 10.418 2.676 1.00 50.34 C ATOM 0 H PHE A 84 -3.383 12.291 6.268 1.00 53.05 H new ATOM 0 HA PHE A 84 -5.271 10.684 7.548 1.00 61.12 H new ATOM 0 HB2 PHE A 84 -2.708 10.027 6.041 1.00 31.53 H new ATOM 0 HB3 PHE A 84 -3.840 8.795 6.563 1.00 31.53 H new ATOM 0 HD1 PHE A 84 -3.294 11.578 4.221 1.00 12.11 H new ATOM 0 HD2 PHE A 84 -6.027 8.557 5.483 1.00 54.23 H new ATOM 0 HE1 PHE A 84 -4.607 11.909 2.174 1.00 72.24 H new ATOM 0 HE2 PHE A 84 -7.338 8.891 3.432 1.00 64.23 H new ATOM 0 HZ PHE A 84 -6.626 10.561 1.773 1.00 50.34 H new ATOM 1281 N GLU A 85 -4.433 9.964 9.733 1.00 0.32 N ATOM 1282 CA GLU A 85 -4.013 9.468 11.046 1.00 74.12 C ATOM 1283 C GLU A 85 -3.597 7.989 10.997 1.00 73.10 C ATOM 1284 O GLU A 85 -2.465 7.637 11.330 1.00 15.42 O ATOM 1285 CB GLU A 85 -5.158 9.628 12.055 1.00 12.32 C ATOM 1286 CG GLU A 85 -5.552 11.071 12.343 1.00 41.40 C ATOM 1287 CD GLU A 85 -6.667 11.164 13.373 1.00 21.03 C ATOM 1288 OE1 GLU A 85 -6.362 11.198 14.586 1.00 40.11 O ATOM 1289 OE2 GLU A 85 -7.852 11.176 12.978 1.00 23.44 O ATOM 0 H GLU A 85 -5.440 10.101 9.645 1.00 0.32 H new ATOM 0 HA GLU A 85 -3.149 10.057 11.353 1.00 74.12 H new ATOM 0 HB2 GLU A 85 -6.032 9.094 11.681 1.00 12.32 H new ATOM 0 HB3 GLU A 85 -4.869 9.150 12.991 1.00 12.32 H new ATOM 0 HG2 GLU A 85 -4.681 11.620 12.701 1.00 41.40 H new ATOM 0 HG3 GLU A 85 -5.872 11.551 11.418 1.00 41.40 H new ATOM 1296 N HIS A 86 -4.523 7.127 10.584 1.00 73.55 N ATOM 1297 CA HIS A 86 -4.307 5.674 10.643 1.00 53.43 C ATOM 1298 C HIS A 86 -3.659 5.136 9.355 1.00 20.43 C ATOM 1299 O HIS A 86 -4.332 4.580 8.489 1.00 23.03 O ATOM 1300 CB HIS A 86 -5.637 4.954 10.921 1.00 23.12 C ATOM 1301 CG HIS A 86 -6.251 5.309 12.244 1.00 2.25 C ATOM 1302 ND1 HIS A 86 -6.373 4.412 13.281 1.00 10.11 N ATOM 1303 CD2 HIS A 86 -6.788 6.469 12.696 1.00 23.14 C ATOM 1304 CE1 HIS A 86 -6.952 5.001 14.308 1.00 55.22 C ATOM 1305 NE2 HIS A 86 -7.215 6.247 13.981 1.00 0.51 N ATOM 0 H HIS A 86 -5.429 7.403 10.205 1.00 73.55 H new ATOM 0 HA HIS A 86 -3.614 5.474 11.460 1.00 53.43 H new ATOM 0 HB2 HIS A 86 -6.343 5.195 10.126 1.00 23.12 H new ATOM 0 HB3 HIS A 86 -5.471 3.877 10.885 1.00 23.12 H new ATOM 0 HD2 HIS A 86 -6.865 7.396 12.147 1.00 23.14 H new ATOM 0 HE1 HIS A 86 -7.173 4.538 15.258 1.00 55.22 H new ATOM 0 HE2 HIS A 86 -7.663 6.936 14.584 1.00 0.51 H new ATOM 1314 N VAL A 87 -2.343 5.314 9.232 1.00 44.15 N ATOM 1315 CA VAL A 87 -1.598 4.815 8.069 1.00 35.22 C ATOM 1316 C VAL A 87 -0.310 4.099 8.497 1.00 52.13 C ATOM 1317 O VAL A 87 0.450 4.604 9.326 1.00 5.12 O ATOM 1318 CB VAL A 87 -1.231 5.959 7.084 1.00 32.25 C ATOM 1319 CG1 VAL A 87 -0.482 5.415 5.867 1.00 3.45 C ATOM 1320 CG2 VAL A 87 -2.476 6.726 6.644 1.00 0.34 C ATOM 0 H VAL A 87 -1.769 5.799 9.921 1.00 44.15 H new ATOM 0 HA VAL A 87 -2.256 4.109 7.563 1.00 35.22 H new ATOM 0 HB VAL A 87 -0.573 6.650 7.611 1.00 32.25 H new ATOM 0 HG11 VAL A 87 -0.237 6.236 5.194 1.00 3.45 H new ATOM 0 HG12 VAL A 87 0.436 4.927 6.193 1.00 3.45 H new ATOM 0 HG13 VAL A 87 -1.111 4.693 5.345 1.00 3.45 H new ATOM 0 HG21 VAL A 87 -2.189 7.521 5.955 1.00 0.34 H new ATOM 0 HG22 VAL A 87 -3.166 6.045 6.145 1.00 0.34 H new ATOM 0 HG23 VAL A 87 -2.963 7.161 7.517 1.00 0.34 H new ATOM 1330 N SER A 88 -0.073 2.924 7.923 1.00 34.54 N ATOM 1331 CA SER A 88 1.149 2.153 8.195 1.00 10.54 C ATOM 1332 C SER A 88 1.839 1.736 6.891 1.00 3.54 C ATOM 1333 O SER A 88 1.213 1.674 5.830 1.00 71.52 O ATOM 1334 CB SER A 88 0.828 0.909 9.034 1.00 11.01 C ATOM 1335 OG SER A 88 2.002 0.168 9.335 1.00 11.44 O ATOM 0 H SER A 88 -0.710 2.478 7.263 1.00 34.54 H new ATOM 0 HA SER A 88 1.828 2.795 8.757 1.00 10.54 H new ATOM 0 HB2 SER A 88 0.339 1.210 9.960 1.00 11.01 H new ATOM 0 HB3 SER A 88 0.125 0.275 8.493 1.00 11.01 H new ATOM 0 HG SER A 88 2.135 0.146 10.306 1.00 11.44 H new ATOM 1341 N GLU A 89 3.133 1.453 6.977 1.00 52.32 N ATOM 1342 CA GLU A 89 3.924 1.065 5.804 1.00 21.44 C ATOM 1343 C GLU A 89 4.147 -0.455 5.756 1.00 22.24 C ATOM 1344 O GLU A 89 4.488 -1.079 6.764 1.00 73.35 O ATOM 1345 CB GLU A 89 5.266 1.815 5.807 1.00 65.43 C ATOM 1346 CG GLU A 89 6.054 1.678 7.100 1.00 0.30 C ATOM 1347 CD GLU A 89 7.324 2.511 7.101 1.00 13.13 C ATOM 1348 OE1 GLU A 89 7.264 3.702 7.481 1.00 1.41 O ATOM 1349 OE2 GLU A 89 8.389 1.980 6.720 1.00 32.22 O ATOM 0 H GLU A 89 3.663 1.484 7.848 1.00 52.32 H new ATOM 0 HA GLU A 89 3.367 1.340 4.908 1.00 21.44 H new ATOM 0 HB2 GLU A 89 5.876 1.448 4.982 1.00 65.43 H new ATOM 0 HB3 GLU A 89 5.079 2.872 5.619 1.00 65.43 H new ATOM 0 HG2 GLU A 89 5.425 1.980 7.938 1.00 0.30 H new ATOM 0 HG3 GLU A 89 6.311 0.630 7.255 1.00 0.30 H new ATOM 1356 N LEU A 90 3.938 -1.047 4.584 1.00 52.31 N ATOM 1357 CA LEU A 90 4.112 -2.490 4.404 1.00 24.41 C ATOM 1358 C LEU A 90 5.600 -2.854 4.280 1.00 40.44 C ATOM 1359 O LEU A 90 6.241 -2.579 3.262 1.00 2.32 O ATOM 1360 CB LEU A 90 3.342 -2.977 3.166 1.00 1.44 C ATOM 1361 CG LEU A 90 3.244 -4.505 3.021 1.00 11.22 C ATOM 1362 CD1 LEU A 90 2.484 -5.108 4.199 1.00 0.12 C ATOM 1363 CD2 LEU A 90 2.580 -4.886 1.700 1.00 25.31 C ATOM 0 H LEU A 90 3.647 -0.551 3.741 1.00 52.31 H new ATOM 0 HA LEU A 90 3.709 -2.989 5.286 1.00 24.41 H new ATOM 0 HB2 LEU A 90 2.333 -2.565 3.199 1.00 1.44 H new ATOM 0 HB3 LEU A 90 3.823 -2.573 2.275 1.00 1.44 H new ATOM 0 HG LEU A 90 4.256 -4.911 3.020 1.00 11.22 H new ATOM 0 HD11 LEU A 90 2.425 -6.190 4.079 1.00 0.12 H new ATOM 0 HD12 LEU A 90 3.006 -4.874 5.127 1.00 0.12 H new ATOM 0 HD13 LEU A 90 1.477 -4.691 4.234 1.00 0.12 H new ATOM 0 HD21 LEU A 90 2.523 -5.972 1.621 1.00 25.31 H new ATOM 0 HD22 LEU A 90 1.575 -4.466 1.664 1.00 25.31 H new ATOM 0 HD23 LEU A 90 3.168 -4.493 0.871 1.00 25.31 H new ATOM 1375 N LYS A 91 6.138 -3.472 5.329 1.00 74.23 N ATOM 1376 CA LYS A 91 7.552 -3.861 5.377 1.00 53.25 C ATOM 1377 C LYS A 91 7.971 -4.719 4.169 1.00 34.53 C ATOM 1378 O LYS A 91 7.593 -5.887 4.056 1.00 1.42 O ATOM 1379 CB LYS A 91 7.838 -4.617 6.683 1.00 13.23 C ATOM 1380 CG LYS A 91 7.933 -3.719 7.911 1.00 13.42 C ATOM 1381 CD LYS A 91 8.258 -4.511 9.176 1.00 21.43 C ATOM 1382 CE LYS A 91 7.144 -5.486 9.540 1.00 34.43 C ATOM 1383 NZ LYS A 91 7.454 -6.245 10.780 1.00 41.11 N ATOM 0 H LYS A 91 5.612 -3.718 6.168 1.00 74.23 H new ATOM 0 HA LYS A 91 8.142 -2.945 5.338 1.00 53.25 H new ATOM 0 HB2 LYS A 91 7.051 -5.354 6.844 1.00 13.23 H new ATOM 0 HB3 LYS A 91 8.773 -5.168 6.575 1.00 13.23 H new ATOM 0 HG2 LYS A 91 8.702 -2.963 7.749 1.00 13.42 H new ATOM 0 HG3 LYS A 91 6.990 -3.190 8.047 1.00 13.42 H new ATOM 0 HD2 LYS A 91 9.188 -5.061 9.031 1.00 21.43 H new ATOM 0 HD3 LYS A 91 8.421 -3.821 10.004 1.00 21.43 H new ATOM 0 HE2 LYS A 91 6.211 -4.938 9.674 1.00 34.43 H new ATOM 0 HE3 LYS A 91 6.989 -6.183 8.717 1.00 34.43 H new ATOM 0 HZ1 LYS A 91 6.672 -6.897 10.993 1.00 41.11 H new ATOM 0 HZ2 LYS A 91 8.330 -6.788 10.644 1.00 41.11 H new ATOM 0 HZ3 LYS A 91 7.577 -5.582 11.571 1.00 41.11 H new ATOM 1397 N GLY A 92 8.767 -4.130 3.276 1.00 3.23 N ATOM 1398 CA GLY A 92 9.287 -4.854 2.116 1.00 51.53 C ATOM 1399 C GLY A 92 8.575 -4.516 0.805 1.00 1.33 C ATOM 1400 O GLY A 92 9.121 -4.737 -0.278 1.00 55.33 O ATOM 0 H GLY A 92 9.065 -3.156 3.333 1.00 3.23 H new ATOM 0 HA2 GLY A 92 10.349 -4.634 2.009 1.00 51.53 H new ATOM 0 HA3 GLY A 92 9.200 -5.925 2.300 1.00 51.53 H new ATOM 1404 N GLY A 93 7.355 -3.989 0.894 1.00 24.04 N ATOM 1405 CA GLY A 93 6.587 -3.657 -0.307 1.00 22.53 C ATOM 1406 C GLY A 93 6.050 -4.888 -1.039 1.00 34.10 C ATOM 1407 O GLY A 93 5.825 -5.935 -0.427 1.00 45.41 O ATOM 0 H GLY A 93 6.881 -3.784 1.773 1.00 24.04 H new ATOM 0 HA2 GLY A 93 5.752 -3.014 -0.030 1.00 22.53 H new ATOM 0 HA3 GLY A 93 7.218 -3.085 -0.987 1.00 22.53 H new ATOM 1411 N LEU A 94 5.849 -4.764 -2.355 1.00 62.11 N ATOM 1412 CA LEU A 94 5.285 -5.858 -3.164 1.00 43.30 C ATOM 1413 C LEU A 94 6.170 -7.118 -3.131 1.00 73.24 C ATOM 1414 O LEU A 94 5.672 -8.227 -2.946 1.00 25.12 O ATOM 1415 CB LEU A 94 5.090 -5.406 -4.618 1.00 33.33 C ATOM 1416 CG LEU A 94 4.460 -6.465 -5.540 1.00 72.23 C ATOM 1417 CD1 LEU A 94 3.019 -6.764 -5.128 1.00 32.42 C ATOM 1418 CD2 LEU A 94 4.530 -6.024 -6.999 1.00 62.34 C ATOM 0 H LEU A 94 6.067 -3.920 -2.885 1.00 62.11 H new ATOM 0 HA LEU A 94 4.320 -6.113 -2.726 1.00 43.30 H new ATOM 0 HB2 LEU A 94 4.461 -4.516 -4.626 1.00 33.33 H new ATOM 0 HB3 LEU A 94 6.058 -5.117 -5.027 1.00 33.33 H new ATOM 0 HG LEU A 94 5.034 -7.386 -5.437 1.00 72.23 H new ATOM 0 HD11 LEU A 94 2.598 -7.515 -5.796 1.00 32.42 H new ATOM 0 HD12 LEU A 94 3.003 -7.139 -4.105 1.00 32.42 H new ATOM 0 HD13 LEU A 94 2.426 -5.851 -5.189 1.00 32.42 H new ATOM 0 HD21 LEU A 94 4.079 -6.788 -7.632 1.00 62.34 H new ATOM 0 HD22 LEU A 94 3.989 -5.085 -7.122 1.00 62.34 H new ATOM 0 HD23 LEU A 94 5.572 -5.883 -7.287 1.00 62.34 H new ATOM 1430 N ALA A 95 7.476 -6.942 -3.330 1.00 64.50 N ATOM 1431 CA ALA A 95 8.434 -8.054 -3.284 1.00 54.40 C ATOM 1432 C ALA A 95 8.301 -8.895 -2.000 1.00 42.51 C ATOM 1433 O ALA A 95 8.523 -10.105 -2.022 1.00 33.11 O ATOM 1434 CB ALA A 95 9.855 -7.522 -3.420 1.00 23.41 C ATOM 0 H ALA A 95 7.900 -6.035 -3.526 1.00 64.50 H new ATOM 0 HA ALA A 95 8.206 -8.713 -4.122 1.00 54.40 H new ATOM 0 HB1 ALA A 95 10.560 -8.353 -3.385 1.00 23.41 H new ATOM 0 HB2 ALA A 95 9.958 -6.999 -4.371 1.00 23.41 H new ATOM 0 HB3 ALA A 95 10.065 -6.833 -2.602 1.00 23.41 H new ATOM 1440 N ALA A 96 7.941 -8.255 -0.886 1.00 0.51 N ATOM 1441 CA ALA A 96 7.696 -8.974 0.375 1.00 15.35 C ATOM 1442 C ALA A 96 6.367 -9.741 0.319 1.00 53.34 C ATOM 1443 O ALA A 96 6.299 -10.921 0.669 1.00 14.21 O ATOM 1444 CB ALA A 96 7.704 -8.008 1.555 1.00 74.34 C ATOM 0 H ALA A 96 7.812 -7.245 -0.827 1.00 0.51 H new ATOM 0 HA ALA A 96 8.501 -9.696 0.513 1.00 15.35 H new ATOM 0 HB1 ALA A 96 7.521 -8.559 2.478 1.00 74.34 H new ATOM 0 HB2 ALA A 96 8.674 -7.513 1.614 1.00 74.34 H new ATOM 0 HB3 ALA A 96 6.923 -7.260 1.418 1.00 74.34 H new ATOM 1450 N TRP A 97 5.318 -9.057 -0.137 1.00 21.11 N ATOM 1451 CA TRP A 97 4.002 -9.679 -0.348 1.00 31.43 C ATOM 1452 C TRP A 97 4.121 -10.934 -1.230 1.00 72.02 C ATOM 1453 O TRP A 97 3.478 -11.956 -0.989 1.00 45.44 O ATOM 1454 CB TRP A 97 3.059 -8.671 -1.016 1.00 65.04 C ATOM 1455 CG TRP A 97 1.670 -9.194 -1.227 1.00 73.53 C ATOM 1456 CD1 TRP A 97 1.196 -9.865 -2.319 1.00 34.01 C ATOM 1457 CD2 TRP A 97 0.573 -9.082 -0.320 1.00 41.50 C ATOM 1458 NE1 TRP A 97 -0.129 -10.175 -2.141 1.00 61.02 N ATOM 1459 CE2 TRP A 97 -0.535 -9.703 -0.923 1.00 2.12 C ATOM 1460 CE3 TRP A 97 0.424 -8.513 0.945 1.00 34.14 C ATOM 1461 CZ2 TRP A 97 -1.779 -9.770 -0.305 1.00 43.02 C ATOM 1462 CZ3 TRP A 97 -0.810 -8.581 1.560 1.00 64.32 C ATOM 1463 CH2 TRP A 97 -1.899 -9.202 0.934 1.00 40.43 C ATOM 0 H TRP A 97 5.351 -8.065 -0.370 1.00 21.11 H new ATOM 0 HA TRP A 97 3.602 -9.975 0.622 1.00 31.43 H new ATOM 0 HB2 TRP A 97 3.010 -7.771 -0.403 1.00 65.04 H new ATOM 0 HB3 TRP A 97 3.478 -8.378 -1.979 1.00 65.04 H new ATOM 0 HD1 TRP A 97 1.778 -10.115 -3.194 1.00 34.01 H new ATOM 0 HE1 TRP A 97 -0.716 -10.676 -2.808 1.00 61.02 H new ATOM 0 HE3 TRP A 97 1.257 -8.029 1.433 1.00 34.14 H new ATOM 0 HZ2 TRP A 97 -2.618 -10.252 -0.785 1.00 43.02 H new ATOM 0 HZ3 TRP A 97 -0.938 -8.148 2.541 1.00 64.32 H new ATOM 0 HH2 TRP A 97 -2.853 -9.233 1.440 1.00 40.43 H new ATOM 1474 N LYS A 98 4.944 -10.834 -2.264 1.00 73.31 N ATOM 1475 CA LYS A 98 5.186 -11.943 -3.185 1.00 51.22 C ATOM 1476 C LYS A 98 6.151 -12.983 -2.586 1.00 0.33 C ATOM 1477 O LYS A 98 6.013 -14.184 -2.829 1.00 10.30 O ATOM 1478 CB LYS A 98 5.729 -11.395 -4.516 1.00 65.03 C ATOM 1479 CG LYS A 98 4.678 -10.642 -5.336 1.00 24.00 C ATOM 1480 CD LYS A 98 5.277 -9.920 -6.545 1.00 44.04 C ATOM 1481 CE LYS A 98 6.285 -10.787 -7.286 1.00 72.15 C ATOM 1482 NZ LYS A 98 6.567 -10.278 -8.652 1.00 74.42 N ATOM 0 H LYS A 98 5.463 -9.986 -2.491 1.00 73.31 H new ATOM 0 HA LYS A 98 4.240 -12.454 -3.364 1.00 51.22 H new ATOM 0 HB2 LYS A 98 6.566 -10.728 -4.311 1.00 65.03 H new ATOM 0 HB3 LYS A 98 6.118 -12.222 -5.110 1.00 65.03 H new ATOM 0 HG2 LYS A 98 3.918 -11.345 -5.678 1.00 24.00 H new ATOM 0 HG3 LYS A 98 4.176 -9.916 -4.696 1.00 24.00 H new ATOM 0 HD2 LYS A 98 4.477 -9.631 -7.227 1.00 44.04 H new ATOM 0 HD3 LYS A 98 5.762 -9.002 -6.215 1.00 44.04 H new ATOM 0 HE2 LYS A 98 7.214 -10.828 -6.717 1.00 72.15 H new ATOM 0 HE3 LYS A 98 5.906 -11.807 -7.351 1.00 72.15 H new ATOM 0 HZ1 LYS A 98 7.540 -10.527 -8.921 1.00 74.42 H new ATOM 0 HZ2 LYS A 98 5.901 -10.706 -9.326 1.00 74.42 H new ATOM 0 HZ3 LYS A 98 6.457 -9.244 -8.667 1.00 74.42 H new ATOM 1496 N ALA A 99 7.121 -12.525 -1.795 1.00 44.31 N ATOM 1497 CA ALA A 99 8.060 -13.433 -1.112 1.00 65.23 C ATOM 1498 C ALA A 99 7.330 -14.375 -0.145 1.00 65.22 C ATOM 1499 O ALA A 99 7.696 -15.543 0.001 1.00 4.54 O ATOM 1500 CB ALA A 99 9.121 -12.636 -0.361 1.00 21.11 C ATOM 0 H ALA A 99 7.282 -11.535 -1.608 1.00 44.31 H new ATOM 0 HA ALA A 99 8.543 -14.042 -1.876 1.00 65.23 H new ATOM 0 HB1 ALA A 99 9.806 -13.322 0.138 1.00 21.11 H new ATOM 0 HB2 ALA A 99 9.676 -12.016 -1.065 1.00 21.11 H new ATOM 0 HB3 ALA A 99 8.640 -12.000 0.382 1.00 21.11 H new ATOM 1506 N ILE A 100 6.295 -13.856 0.511 1.00 0.21 N ATOM 1507 CA ILE A 100 5.473 -14.651 1.435 1.00 73.51 C ATOM 1508 C ILE A 100 4.376 -15.434 0.678 1.00 1.14 C ATOM 1509 O ILE A 100 3.510 -16.061 1.293 1.00 42.12 O ATOM 1510 CB ILE A 100 4.797 -13.743 2.497 1.00 11.32 C ATOM 1511 CG1 ILE A 100 3.756 -12.842 1.820 1.00 22.45 C ATOM 1512 CG2 ILE A 100 5.842 -12.906 3.235 1.00 55.21 C ATOM 1513 CD1 ILE A 100 2.994 -11.954 2.770 1.00 13.43 C ATOM 0 H ILE A 100 6.000 -12.884 0.422 1.00 0.21 H new ATOM 0 HA ILE A 100 6.141 -15.356 1.929 1.00 73.51 H new ATOM 0 HB ILE A 100 4.293 -14.371 3.232 1.00 11.32 H new ATOM 0 HG12 ILE A 100 4.258 -12.218 1.081 1.00 22.45 H new ATOM 0 HG13 ILE A 100 3.047 -13.469 1.279 1.00 22.45 H new ATOM 0 HG21 ILE A 100 5.348 -12.277 3.975 1.00 55.21 H new ATOM 0 HG22 ILE A 100 6.550 -13.567 3.735 1.00 55.21 H new ATOM 0 HG23 ILE A 100 6.375 -12.277 2.521 1.00 55.21 H new ATOM 0 HD11 ILE A 100 2.279 -11.351 2.210 1.00 13.43 H new ATOM 0 HD12 ILE A 100 2.460 -12.569 3.494 1.00 13.43 H new ATOM 0 HD13 ILE A 100 3.690 -11.299 3.294 1.00 13.43 H new ATOM 1525 N GLY A 101 4.410 -15.376 -0.656 1.00 72.34 N ATOM 1526 CA GLY A 101 3.421 -16.073 -1.479 1.00 4.11 C ATOM 1527 C GLY A 101 1.998 -15.556 -1.285 1.00 2.20 C ATOM 1528 O GLY A 101 1.075 -16.335 -1.043 1.00 55.04 O ATOM 0 H GLY A 101 5.109 -14.856 -1.186 1.00 72.34 H new ATOM 0 HA2 GLY A 101 3.696 -15.972 -2.529 1.00 4.11 H new ATOM 0 HA3 GLY A 101 3.448 -17.137 -1.244 1.00 4.11 H new ATOM 1532 N GLY A 102 1.823 -14.239 -1.359 1.00 4.55 N ATOM 1533 CA GLY A 102 0.499 -13.643 -1.227 1.00 35.15 C ATOM 1534 C GLY A 102 -0.272 -13.575 -2.543 1.00 22.20 C ATOM 1535 O GLY A 102 0.322 -13.670 -3.619 1.00 14.31 O ATOM 0 H GLY A 102 2.577 -13.569 -1.509 1.00 4.55 H new ATOM 0 HA2 GLY A 102 -0.080 -14.219 -0.505 1.00 35.15 H new ATOM 0 HA3 GLY A 102 0.601 -12.636 -0.822 1.00 35.15 H new ATOM 1539 N PRO A 103 -1.611 -13.413 -2.484 1.00 11.01 N ATOM 1540 CA PRO A 103 -2.452 -13.282 -3.688 1.00 11.42 C ATOM 1541 C PRO A 103 -2.111 -12.022 -4.504 1.00 13.21 C ATOM 1542 O PRO A 103 -2.129 -10.903 -3.981 1.00 15.33 O ATOM 1543 CB PRO A 103 -3.882 -13.203 -3.127 1.00 73.21 C ATOM 1544 CG PRO A 103 -3.715 -12.764 -1.708 1.00 73.21 C ATOM 1545 CD PRO A 103 -2.410 -13.353 -1.245 1.00 35.20 C ATOM 0 HA PRO A 103 -2.306 -14.112 -4.380 1.00 11.42 H new ATOM 0 HB2 PRO A 103 -4.489 -12.495 -3.691 1.00 73.21 H new ATOM 0 HB3 PRO A 103 -4.383 -14.169 -3.185 1.00 73.21 H new ATOM 0 HG2 PRO A 103 -3.701 -11.677 -1.635 1.00 73.21 H new ATOM 0 HG3 PRO A 103 -4.542 -13.114 -1.091 1.00 73.21 H new ATOM 0 HD2 PRO A 103 -1.933 -12.731 -0.488 1.00 35.20 H new ATOM 0 HD3 PRO A 103 -2.547 -14.341 -0.806 1.00 35.20 H new ATOM 1553 N THR A 104 -1.814 -12.203 -5.788 1.00 14.31 N ATOM 1554 CA THR A 104 -1.343 -11.099 -6.633 1.00 73.04 C ATOM 1555 C THR A 104 -2.076 -11.074 -7.969 1.00 53.12 C ATOM 1556 O THR A 104 -2.552 -12.101 -8.451 1.00 35.20 O ATOM 1557 CB THR A 104 0.179 -11.185 -6.920 1.00 64.13 C ATOM 1558 OG1 THR A 104 0.489 -12.386 -7.646 1.00 15.31 O ATOM 1559 CG2 THR A 104 0.992 -11.141 -5.631 1.00 35.11 C ATOM 0 H THR A 104 -1.889 -13.099 -6.269 1.00 14.31 H new ATOM 0 HA THR A 104 -1.550 -10.187 -6.073 1.00 73.04 H new ATOM 0 HB THR A 104 0.447 -10.319 -7.525 1.00 64.13 H new ATOM 0 HG1 THR A 104 1.453 -12.423 -7.820 1.00 15.31 H new ATOM 0 HG21 THR A 104 2.054 -11.203 -5.868 1.00 35.11 H new ATOM 0 HG22 THR A 104 0.792 -10.207 -5.106 1.00 35.11 H new ATOM 0 HG23 THR A 104 0.712 -11.981 -4.996 1.00 35.11 H new ATOM 1567 N GLU A 105 -2.154 -9.889 -8.557 1.00 51.25 N ATOM 1568 CA GLU A 105 -2.812 -9.686 -9.849 1.00 74.40 C ATOM 1569 C GLU A 105 -2.071 -8.631 -10.672 1.00 13.40 C ATOM 1570 O GLU A 105 -1.157 -7.971 -10.175 1.00 71.15 O ATOM 1571 CB GLU A 105 -4.270 -9.259 -9.624 1.00 3.54 C ATOM 1572 CG GLU A 105 -5.185 -10.404 -9.210 1.00 71.50 C ATOM 1573 CD GLU A 105 -5.729 -11.175 -10.402 1.00 42.32 C ATOM 1574 OE1 GLU A 105 -6.744 -10.734 -10.983 1.00 31.14 O ATOM 1575 OE2 GLU A 105 -5.139 -12.210 -10.774 1.00 62.12 O ATOM 0 H GLU A 105 -1.764 -9.037 -8.155 1.00 51.25 H new ATOM 0 HA GLU A 105 -2.795 -10.624 -10.404 1.00 74.40 H new ATOM 0 HB2 GLU A 105 -4.299 -8.486 -8.856 1.00 3.54 H new ATOM 0 HB3 GLU A 105 -4.654 -8.812 -10.541 1.00 3.54 H new ATOM 0 HG2 GLU A 105 -4.637 -11.086 -8.560 1.00 71.50 H new ATOM 0 HG3 GLU A 105 -6.017 -10.008 -8.628 1.00 71.50 H new ATOM 1582 N GLY A 106 -2.471 -8.459 -11.923 1.00 34.44 N ATOM 1583 CA GLY A 106 -1.798 -7.491 -12.782 1.00 15.03 C ATOM 1584 C GLY A 106 -1.673 -7.925 -14.235 1.00 41.11 C ATOM 1585 O GLY A 106 -2.368 -8.834 -14.695 1.00 62.14 O ATOM 0 H GLY A 106 -3.241 -8.964 -12.361 1.00 34.44 H new ATOM 0 HA2 GLY A 106 -2.342 -6.547 -12.742 1.00 15.03 H new ATOM 0 HA3 GLY A 106 -0.801 -7.301 -12.384 1.00 15.03 H new ATOM 1589 N ILE A 107 -0.778 -7.259 -14.953 1.00 74.11 N ATOM 1590 CA ILE A 107 -0.533 -7.532 -16.367 1.00 4.25 C ATOM 1591 C ILE A 107 0.715 -8.413 -16.533 1.00 23.31 C ATOM 1592 O ILE A 107 0.649 -9.510 -17.087 1.00 62.42 O ATOM 1593 CB ILE A 107 -0.333 -6.211 -17.157 1.00 51.14 C ATOM 1594 CG1 ILE A 107 -1.442 -5.198 -16.804 1.00 34.25 C ATOM 1595 CG2 ILE A 107 -0.290 -6.473 -18.664 1.00 43.41 C ATOM 1596 CD1 ILE A 107 -2.843 -5.640 -17.174 1.00 43.45 C ATOM 0 H ILE A 107 -0.198 -6.511 -14.572 1.00 74.11 H new ATOM 0 HA ILE A 107 -1.404 -8.055 -16.762 1.00 4.25 H new ATOM 0 HB ILE A 107 0.627 -5.783 -16.868 1.00 51.14 H new ATOM 0 HG12 ILE A 107 -1.409 -5.002 -15.732 1.00 34.25 H new ATOM 0 HG13 ILE A 107 -1.228 -4.255 -17.308 1.00 34.25 H new ATOM 0 HG21 ILE A 107 -0.149 -5.531 -19.193 1.00 43.41 H new ATOM 0 HG22 ILE A 107 0.537 -7.145 -18.893 1.00 43.41 H new ATOM 0 HG23 ILE A 107 -1.227 -6.930 -18.981 1.00 43.41 H new ATOM 0 HD11 ILE A 107 -3.556 -4.866 -16.889 1.00 43.45 H new ATOM 0 HD12 ILE A 107 -2.900 -5.807 -18.250 1.00 43.45 H new ATOM 0 HD13 ILE A 107 -3.083 -6.565 -16.650 1.00 43.45 H new ATOM 1608 N ILE A 108 1.851 -7.934 -16.020 1.00 1.13 N ATOM 1609 CA ILE A 108 3.117 -8.670 -16.123 1.00 33.21 C ATOM 1610 C ILE A 108 3.107 -9.964 -15.300 1.00 1.04 C ATOM 1611 O ILE A 108 3.604 -11.006 -15.742 1.00 13.41 O ATOM 1612 CB ILE A 108 4.318 -7.780 -15.712 1.00 33.41 C ATOM 1613 CG1 ILE A 108 4.807 -6.942 -16.910 1.00 64.05 C ATOM 1614 CG2 ILE A 108 5.449 -8.620 -15.125 1.00 51.32 C ATOM 1615 CD1 ILE A 108 3.775 -5.981 -17.464 1.00 24.50 C ATOM 0 H ILE A 108 1.922 -7.042 -15.530 1.00 1.13 H new ATOM 0 HA ILE A 108 3.230 -8.948 -17.171 1.00 33.21 H new ATOM 0 HB ILE A 108 3.983 -7.093 -14.935 1.00 33.41 H new ATOM 0 HG12 ILE A 108 5.687 -6.375 -16.606 1.00 64.05 H new ATOM 0 HG13 ILE A 108 5.121 -7.617 -17.706 1.00 64.05 H new ATOM 0 HG21 ILE A 108 6.278 -7.970 -14.846 1.00 51.32 H new ATOM 0 HG22 ILE A 108 5.089 -9.149 -14.242 1.00 51.32 H new ATOM 0 HG23 ILE A 108 5.789 -9.342 -15.867 1.00 51.32 H new ATOM 0 HD11 ILE A 108 4.202 -5.432 -18.303 1.00 24.50 H new ATOM 0 HD12 ILE A 108 2.902 -6.540 -17.802 1.00 24.50 H new ATOM 0 HD13 ILE A 108 3.477 -5.279 -16.686 1.00 24.50 H new ATOM 1627 N GLU A 109 2.525 -9.896 -14.117 1.00 33.33 N ATOM 1628 CA GLU A 109 2.375 -11.080 -13.252 1.00 52.45 C ATOM 1629 C GLU A 109 1.529 -12.167 -13.944 1.00 44.25 C ATOM 1630 O GLU A 109 1.499 -13.321 -13.514 1.00 43.12 O ATOM 1631 CB GLU A 109 1.722 -10.696 -11.914 1.00 45.43 C ATOM 1632 CG GLU A 109 2.491 -9.648 -11.111 1.00 51.31 C ATOM 1633 CD GLU A 109 3.891 -10.094 -10.709 1.00 74.35 C ATOM 1634 OE1 GLU A 109 4.014 -10.984 -9.842 1.00 5.33 O ATOM 1635 OE2 GLU A 109 4.877 -9.546 -11.238 1.00 53.41 O ATOM 0 H GLU A 109 2.143 -9.037 -13.721 1.00 33.33 H new ATOM 0 HA GLU A 109 3.372 -11.478 -13.063 1.00 52.45 H new ATOM 0 HB2 GLU A 109 0.717 -10.321 -12.109 1.00 45.43 H new ATOM 0 HB3 GLU A 109 1.614 -11.594 -11.306 1.00 45.43 H new ATOM 0 HG2 GLU A 109 2.565 -8.734 -11.700 1.00 51.31 H new ATOM 0 HG3 GLU A 109 1.925 -9.403 -10.212 1.00 51.31 H new ATOM 1642 N SER A 110 0.847 -11.780 -15.024 1.00 51.54 N ATOM 1643 CA SER A 110 -0.013 -12.694 -15.787 1.00 53.13 C ATOM 1644 C SER A 110 0.665 -13.164 -17.084 1.00 51.40 C ATOM 1645 O SER A 110 0.078 -13.921 -17.862 1.00 43.03 O ATOM 1646 CB SER A 110 -1.334 -11.993 -16.123 1.00 42.41 C ATOM 1647 OG SER A 110 -2.243 -12.865 -16.789 1.00 30.44 O ATOM 0 H SER A 110 0.873 -10.830 -15.395 1.00 51.54 H new ATOM 0 HA SER A 110 -0.200 -13.573 -15.170 1.00 53.13 H new ATOM 0 HB2 SER A 110 -1.792 -11.623 -15.206 1.00 42.41 H new ATOM 0 HB3 SER A 110 -1.135 -11.126 -16.753 1.00 42.41 H new ATOM 0 HG SER A 110 -1.740 -13.528 -17.306 1.00 30.44 H new ATOM 1653 N ARG A 111 1.898 -12.717 -17.317 1.00 70.20 N ATOM 1654 CA ARG A 111 2.628 -13.062 -18.546 1.00 72.15 C ATOM 1655 C ARG A 111 3.397 -14.382 -18.405 1.00 2.41 C ATOM 1656 O ARG A 111 3.962 -14.682 -17.350 1.00 24.10 O ATOM 1657 CB ARG A 111 3.604 -11.939 -18.933 1.00 24.43 C ATOM 1658 CG ARG A 111 2.933 -10.608 -19.256 1.00 11.20 C ATOM 1659 CD ARG A 111 1.843 -10.758 -20.315 1.00 43.42 C ATOM 1660 NE ARG A 111 2.322 -11.432 -21.524 1.00 13.12 N ATOM 1661 CZ ARG A 111 1.773 -11.309 -22.700 1.00 21.35 C ATOM 1662 NH1 ARG A 111 0.783 -10.495 -22.892 1.00 61.05 N ATOM 1663 NH2 ARG A 111 2.234 -11.994 -23.693 1.00 74.05 N ATOM 0 H ARG A 111 2.416 -12.116 -16.675 1.00 70.20 H new ATOM 0 HA ARG A 111 1.883 -13.184 -19.333 1.00 72.15 H new ATOM 0 HB2 ARG A 111 4.309 -11.788 -18.115 1.00 24.43 H new ATOM 0 HB3 ARG A 111 4.184 -12.260 -19.798 1.00 24.43 H new ATOM 0 HG2 ARG A 111 2.500 -10.190 -18.347 1.00 11.20 H new ATOM 0 HG3 ARG A 111 3.684 -9.899 -19.606 1.00 11.20 H new ATOM 0 HD2 ARG A 111 1.009 -11.321 -19.896 1.00 43.42 H new ATOM 0 HD3 ARG A 111 1.461 -9.772 -20.580 1.00 43.42 H new ATOM 0 HE ARG A 111 3.139 -12.037 -21.440 1.00 13.12 H new ATOM 0 HH11 ARG A 111 0.422 -9.939 -22.117 1.00 61.05 H new ATOM 0 HH12 ARG A 111 0.365 -10.410 -23.818 1.00 61.05 H new ATOM 0 HH21 ARG A 111 3.022 -12.626 -23.554 1.00 74.05 H new ATOM 0 HH22 ARG A 111 1.810 -11.903 -24.616 1.00 74.05 H new ATOM 1677 N THR A 112 3.425 -15.156 -19.488 1.00 64.43 N ATOM 1678 CA THR A 112 4.122 -16.448 -19.521 1.00 23.32 C ATOM 1679 C THR A 112 5.543 -16.307 -20.089 1.00 4.13 C ATOM 1680 O THR A 112 5.774 -15.515 -21.009 1.00 20.24 O ATOM 1681 CB THR A 112 3.335 -17.484 -20.363 1.00 4.21 C ATOM 1682 OG1 THR A 112 3.105 -16.982 -21.691 1.00 4.45 O ATOM 1683 CG2 THR A 112 2.000 -17.813 -19.706 1.00 43.25 C ATOM 0 H THR A 112 2.968 -14.910 -20.366 1.00 64.43 H new ATOM 0 HA THR A 112 4.189 -16.799 -18.491 1.00 23.32 H new ATOM 0 HB THR A 112 3.934 -18.393 -20.421 1.00 4.21 H new ATOM 0 HG1 THR A 112 2.609 -17.648 -22.211 1.00 4.45 H new ATOM 0 HG21 THR A 112 1.465 -18.542 -20.314 1.00 43.25 H new ATOM 0 HG22 THR A 112 2.175 -18.228 -18.713 1.00 43.25 H new ATOM 0 HG23 THR A 112 1.403 -16.905 -19.620 1.00 43.25 H new ATOM 1691 N PRO A 113 6.521 -17.057 -19.534 1.00 4.02 N ATOM 1692 CA PRO A 113 7.930 -16.995 -19.972 1.00 25.30 C ATOM 1693 C PRO A 113 8.159 -17.560 -21.383 1.00 43.44 C ATOM 1694 O PRO A 113 8.343 -16.811 -22.343 1.00 1.32 O ATOM 1695 CB PRO A 113 8.684 -17.829 -18.911 1.00 61.01 C ATOM 1696 CG PRO A 113 7.712 -18.010 -17.787 1.00 21.15 C ATOM 1697 CD PRO A 113 6.349 -18.004 -18.419 1.00 12.32 C ATOM 0 HA PRO A 113 8.275 -15.963 -20.043 1.00 25.30 H new ATOM 0 HB2 PRO A 113 8.999 -18.790 -19.317 1.00 61.01 H new ATOM 0 HB3 PRO A 113 9.584 -17.315 -18.574 1.00 61.01 H new ATOM 0 HG2 PRO A 113 7.894 -18.946 -17.260 1.00 21.15 H new ATOM 0 HG3 PRO A 113 7.807 -17.208 -17.055 1.00 21.15 H new ATOM 0 HD2 PRO A 113 6.059 -18.995 -18.769 1.00 12.32 H new ATOM 0 HD3 PRO A 113 5.579 -17.674 -17.721 1.00 12.32 H new ATOM 1705 N ALA A 114 8.145 -18.887 -21.488 1.00 1.11 N ATOM 1706 CA ALA A 114 8.338 -19.590 -22.767 1.00 63.53 C ATOM 1707 C ALA A 114 9.734 -19.332 -23.372 1.00 22.20 C ATOM 1708 O ALA A 114 10.613 -18.765 -22.723 1.00 62.22 O ATOM 1709 CB ALA A 114 7.241 -19.197 -23.756 1.00 70.33 C ATOM 0 H ALA A 114 8.000 -19.510 -20.693 1.00 1.11 H new ATOM 0 HA ALA A 114 8.272 -20.659 -22.565 1.00 63.53 H new ATOM 0 HB1 ALA A 114 7.395 -19.723 -24.698 1.00 70.33 H new ATOM 0 HB2 ALA A 114 6.268 -19.465 -23.345 1.00 70.33 H new ATOM 0 HB3 ALA A 114 7.277 -18.122 -23.931 1.00 70.33 H new ATOM 1715 N GLY A 115 9.938 -19.779 -24.613 1.00 72.51 N ATOM 1716 CA GLY A 115 11.200 -19.526 -25.303 1.00 62.23 C ATOM 1717 C GLY A 115 12.110 -20.754 -25.378 1.00 1.15 C ATOM 1718 O GLY A 115 12.681 -21.178 -24.367 1.00 41.21 O ATOM 0 H GLY A 115 9.255 -20.310 -25.153 1.00 72.51 H new ATOM 0 HA2 GLY A 115 10.989 -19.177 -26.314 1.00 62.23 H new ATOM 0 HA3 GLY A 115 11.729 -18.722 -24.792 1.00 62.23 H new ATOM 1722 N ALA A 116 12.237 -21.327 -26.578 1.00 24.23 N ATOM 1723 CA ALA A 116 13.109 -22.489 -26.814 1.00 4.52 C ATOM 1724 C ALA A 116 13.250 -22.779 -28.315 1.00 3.33 C ATOM 1725 O ALA A 116 12.295 -22.618 -29.078 1.00 62.24 O ATOM 1726 CB ALA A 116 12.563 -23.722 -26.098 1.00 45.02 C ATOM 0 H ALA A 116 11.744 -21.004 -27.410 1.00 24.23 H new ATOM 0 HA ALA A 116 14.095 -22.251 -26.414 1.00 4.52 H new ATOM 0 HB1 ALA A 116 13.220 -24.571 -26.284 1.00 45.02 H new ATOM 0 HB2 ALA A 116 12.514 -23.529 -25.026 1.00 45.02 H new ATOM 0 HB3 ALA A 116 11.564 -23.948 -26.472 1.00 45.02 H new ATOM 1732 N ASP A 117 14.440 -23.205 -28.739 1.00 21.23 N ATOM 1733 CA ASP A 117 14.669 -23.567 -30.145 1.00 3.14 C ATOM 1734 C ASP A 117 15.876 -24.506 -30.304 1.00 31.32 C ATOM 1735 O ASP A 117 17.007 -24.177 -29.929 1.00 13.13 O ATOM 1736 CB ASP A 117 14.854 -22.311 -31.009 1.00 60.15 C ATOM 1737 CG ASP A 117 15.119 -22.649 -32.469 1.00 2.54 C ATOM 1738 OD1 ASP A 117 14.223 -23.225 -33.127 1.00 52.24 O ATOM 1739 OD2 ASP A 117 16.232 -22.364 -32.961 1.00 3.44 O ATOM 0 H ASP A 117 15.257 -23.309 -28.137 1.00 21.23 H new ATOM 0 HA ASP A 117 13.784 -24.102 -30.488 1.00 3.14 H new ATOM 0 HB2 ASP A 117 13.961 -21.689 -30.938 1.00 60.15 H new ATOM 0 HB3 ASP A 117 15.684 -21.723 -30.618 1.00 60.15 H new ATOM 1744 N ASP A 118 15.621 -25.672 -30.880 1.00 14.30 N ATOM 1745 CA ASP A 118 16.654 -26.682 -31.109 1.00 72.25 C ATOM 1746 C ASP A 118 16.517 -27.296 -32.510 1.00 15.51 C ATOM 1747 O ASP A 118 15.424 -27.332 -33.075 1.00 74.05 O ATOM 1748 CB ASP A 118 16.569 -27.768 -30.031 1.00 12.01 C ATOM 1749 CG ASP A 118 15.153 -28.278 -29.841 1.00 21.30 C ATOM 1750 OD1 ASP A 118 14.722 -29.153 -30.620 1.00 43.53 O ATOM 1751 OD2 ASP A 118 14.460 -27.803 -28.916 1.00 2.14 O ATOM 0 H ASP A 118 14.694 -25.948 -31.203 1.00 14.30 H new ATOM 0 HA ASP A 118 17.631 -26.202 -31.049 1.00 72.25 H new ATOM 0 HB2 ASP A 118 17.219 -28.599 -30.303 1.00 12.01 H new ATOM 0 HB3 ASP A 118 16.940 -27.370 -29.086 1.00 12.01 H new ATOM 1756 N TYR A 119 17.625 -27.778 -33.065 1.00 30.15 N ATOM 1757 CA TYR A 119 17.630 -28.300 -34.435 1.00 32.11 C ATOM 1758 C TYR A 119 18.701 -29.382 -34.630 1.00 2.14 C ATOM 1759 O TYR A 119 19.783 -29.312 -34.043 1.00 71.01 O ATOM 1760 CB TYR A 119 17.863 -27.146 -35.421 1.00 44.04 C ATOM 1761 CG TYR A 119 17.857 -27.566 -36.878 1.00 71.40 C ATOM 1762 CD1 TYR A 119 16.668 -27.899 -37.515 1.00 21.43 C ATOM 1763 CD2 TYR A 119 19.035 -27.621 -37.616 1.00 71.25 C ATOM 1764 CE1 TYR A 119 16.651 -28.273 -38.842 1.00 40.42 C ATOM 1765 CE2 TYR A 119 19.025 -27.997 -38.946 1.00 43.12 C ATOM 1766 CZ TYR A 119 17.830 -28.320 -39.555 1.00 52.31 C ATOM 1767 OH TYR A 119 17.812 -28.691 -40.885 1.00 0.21 O ATOM 0 H TYR A 119 18.528 -27.820 -32.593 1.00 30.15 H new ATOM 0 HA TYR A 119 16.661 -28.761 -34.624 1.00 32.11 H new ATOM 0 HB2 TYR A 119 17.092 -26.391 -35.269 1.00 44.04 H new ATOM 0 HB3 TYR A 119 18.820 -26.675 -35.194 1.00 44.04 H new ATOM 0 HD1 TYR A 119 15.741 -27.864 -36.961 1.00 21.43 H new ATOM 0 HD2 TYR A 119 19.972 -27.366 -37.142 1.00 71.25 H new ATOM 0 HE1 TYR A 119 15.717 -28.528 -39.321 1.00 40.42 H new ATOM 0 HE2 TYR A 119 19.948 -28.038 -39.506 1.00 43.12 H new ATOM 0 HH TYR A 119 18.724 -28.672 -41.242 1.00 0.21 H new ATOM 1777 N ASN A 120 18.400 -30.383 -35.457 1.00 74.24 N ATOM 1778 CA ASN A 120 19.380 -31.419 -35.795 1.00 14.42 C ATOM 1779 C ASN A 120 20.485 -30.856 -36.701 1.00 1.22 C ATOM 1780 O ASN A 120 20.457 -31.017 -37.920 1.00 12.11 O ATOM 1781 CB ASN A 120 18.703 -32.615 -36.473 1.00 12.43 C ATOM 1782 CG ASN A 120 17.734 -33.340 -35.559 1.00 52.00 C ATOM 1783 OD1 ASN A 120 17.101 -32.739 -34.699 1.00 34.53 O ATOM 1784 ND2 ASN A 120 17.627 -34.643 -35.724 1.00 44.35 N ATOM 0 H ASN A 120 17.491 -30.500 -35.904 1.00 74.24 H new ATOM 0 HA ASN A 120 19.834 -31.759 -34.864 1.00 14.42 H new ATOM 0 HB2 ASN A 120 18.170 -32.270 -37.359 1.00 12.43 H new ATOM 0 HB3 ASN A 120 19.467 -33.314 -36.812 1.00 12.43 H new ATOM 0 HD21 ASN A 120 17.002 -35.183 -35.126 1.00 44.35 H new ATOM 0 HD22 ASN A 120 18.169 -35.111 -36.450 1.00 44.35 H new ATOM 1791 N VAL A 121 21.444 -30.172 -36.088 1.00 22.44 N ATOM 1792 CA VAL A 121 22.560 -29.564 -36.815 1.00 34.13 C ATOM 1793 C VAL A 121 23.550 -30.612 -37.351 1.00 31.31 C ATOM 1794 O VAL A 121 24.372 -30.316 -38.220 1.00 75.04 O ATOM 1795 CB VAL A 121 23.317 -28.554 -35.918 1.00 45.44 C ATOM 1796 CG1 VAL A 121 22.405 -27.389 -35.527 1.00 71.34 C ATOM 1797 CG2 VAL A 121 23.883 -29.244 -34.674 1.00 41.32 C ATOM 0 H VAL A 121 21.473 -30.022 -35.080 1.00 22.44 H new ATOM 0 HA VAL A 121 22.126 -29.043 -37.668 1.00 34.13 H new ATOM 0 HB VAL A 121 24.154 -28.154 -36.490 1.00 45.44 H new ATOM 0 HG11 VAL A 121 22.956 -26.691 -34.897 1.00 71.34 H new ATOM 0 HG12 VAL A 121 22.065 -26.875 -36.426 1.00 71.34 H new ATOM 0 HG13 VAL A 121 21.543 -27.770 -34.979 1.00 71.34 H new ATOM 0 HG21 VAL A 121 24.410 -28.513 -34.061 1.00 41.32 H new ATOM 0 HG22 VAL A 121 23.068 -29.681 -34.098 1.00 41.32 H new ATOM 0 HG23 VAL A 121 24.575 -30.030 -34.977 1.00 41.32 H new ATOM 1807 N VAL A 122 23.467 -31.832 -36.828 1.00 41.43 N ATOM 1808 CA VAL A 122 24.353 -32.917 -37.253 1.00 3.53 C ATOM 1809 C VAL A 122 23.860 -33.567 -38.559 1.00 73.50 C ATOM 1810 O VAL A 122 22.904 -34.347 -38.559 1.00 13.30 O ATOM 1811 CB VAL A 122 24.481 -34.004 -36.154 1.00 34.41 C ATOM 1812 CG1 VAL A 122 25.444 -35.111 -36.587 1.00 34.45 C ATOM 1813 CG2 VAL A 122 24.925 -33.385 -34.826 1.00 41.01 C ATOM 0 H VAL A 122 22.795 -32.097 -36.108 1.00 41.43 H new ATOM 0 HA VAL A 122 25.333 -32.473 -37.428 1.00 3.53 H new ATOM 0 HB VAL A 122 23.498 -34.452 -36.008 1.00 34.41 H new ATOM 0 HG11 VAL A 122 25.515 -35.860 -35.798 1.00 34.45 H new ATOM 0 HG12 VAL A 122 25.074 -35.579 -37.499 1.00 34.45 H new ATOM 0 HG13 VAL A 122 26.430 -34.684 -36.772 1.00 34.45 H new ATOM 0 HG21 VAL A 122 25.008 -34.166 -34.070 1.00 41.01 H new ATOM 0 HG22 VAL A 122 25.893 -32.901 -34.956 1.00 41.01 H new ATOM 0 HG23 VAL A 122 24.190 -32.646 -34.505 1.00 41.01 H new ATOM 1823 N SER A 123 24.512 -33.229 -39.669 1.00 70.43 N ATOM 1824 CA SER A 123 24.180 -33.806 -40.981 1.00 62.21 C ATOM 1825 C SER A 123 25.449 -34.263 -41.712 1.00 50.53 C ATOM 1826 O SER A 123 26.257 -33.439 -42.145 1.00 32.10 O ATOM 1827 CB SER A 123 23.426 -32.785 -41.847 1.00 52.14 C ATOM 1828 OG SER A 123 23.129 -33.316 -43.131 1.00 4.51 O ATOM 0 H SER A 123 25.278 -32.556 -39.692 1.00 70.43 H new ATOM 0 HA SER A 123 23.539 -34.671 -40.812 1.00 62.21 H new ATOM 0 HB2 SER A 123 22.501 -32.495 -41.348 1.00 52.14 H new ATOM 0 HB3 SER A 123 24.027 -31.882 -41.955 1.00 52.14 H new ATOM 0 HG SER A 123 22.648 -32.645 -43.659 1.00 4.51 H new ATOM 1834 N ARG A 124 25.632 -35.576 -41.836 1.00 41.23 N ATOM 1835 CA ARG A 124 26.823 -36.136 -42.492 1.00 43.32 C ATOM 1836 C ARG A 124 26.532 -37.556 -43.013 1.00 12.21 C ATOM 1837 O ARG A 124 26.133 -38.438 -42.249 1.00 52.23 O ATOM 1838 CB ARG A 124 28.012 -36.132 -41.503 1.00 33.21 C ATOM 1839 CG ARG A 124 29.355 -36.577 -42.098 1.00 53.22 C ATOM 1840 CD ARG A 124 29.530 -38.095 -42.077 1.00 1.15 C ATOM 1841 NE ARG A 124 30.793 -38.518 -42.673 1.00 24.24 N ATOM 1842 CZ ARG A 124 31.335 -39.692 -42.487 1.00 4.12 C ATOM 1843 NH1 ARG A 124 30.808 -40.544 -41.661 1.00 64.42 N ATOM 1844 NH2 ARG A 124 32.425 -40.001 -43.110 1.00 34.33 N ATOM 0 H ARG A 124 24.974 -36.276 -41.493 1.00 41.23 H new ATOM 0 HA ARG A 124 27.087 -35.518 -43.350 1.00 43.32 H new ATOM 0 HB2 ARG A 124 28.126 -35.126 -41.100 1.00 33.21 H new ATOM 0 HB3 ARG A 124 27.769 -36.785 -40.665 1.00 33.21 H new ATOM 0 HG2 ARG A 124 29.430 -36.220 -43.125 1.00 53.22 H new ATOM 0 HG3 ARG A 124 30.168 -36.113 -41.539 1.00 53.22 H new ATOM 0 HD2 ARG A 124 29.481 -38.449 -41.047 1.00 1.15 H new ATOM 0 HD3 ARG A 124 28.704 -38.561 -42.614 1.00 1.15 H new ATOM 0 HE ARG A 124 31.284 -37.855 -43.273 1.00 24.24 H new ATOM 0 HH11 ARG A 124 29.961 -40.300 -41.148 1.00 64.42 H new ATOM 0 HH12 ARG A 124 31.241 -41.457 -41.525 1.00 64.42 H new ATOM 0 HH21 ARG A 124 32.858 -39.329 -43.744 1.00 34.33 H new ATOM 0 HH22 ARG A 124 32.852 -40.916 -42.968 1.00 34.33 H new ATOM 1858 N LEU A 125 26.742 -37.771 -44.313 1.00 42.54 N ATOM 1859 CA LEU A 125 26.438 -39.062 -44.949 1.00 60.41 C ATOM 1860 C LEU A 125 27.297 -39.293 -46.204 1.00 74.41 C ATOM 1861 O LEU A 125 27.326 -38.456 -47.109 1.00 51.24 O ATOM 1862 CB LEU A 125 24.946 -39.116 -45.323 1.00 44.44 C ATOM 1863 CG LEU A 125 24.479 -40.400 -46.039 1.00 15.12 C ATOM 1864 CD1 LEU A 125 24.649 -41.623 -45.138 1.00 71.44 C ATOM 1865 CD2 LEU A 125 23.028 -40.266 -46.501 1.00 3.13 C ATOM 0 H LEU A 125 27.121 -37.070 -44.949 1.00 42.54 H new ATOM 0 HA LEU A 125 26.671 -39.852 -44.235 1.00 60.41 H new ATOM 0 HB2 LEU A 125 24.358 -38.996 -44.413 1.00 44.44 H new ATOM 0 HB3 LEU A 125 24.720 -38.263 -45.963 1.00 44.44 H new ATOM 0 HG LEU A 125 25.106 -40.541 -46.919 1.00 15.12 H new ATOM 0 HD11 LEU A 125 24.312 -42.514 -45.667 1.00 71.44 H new ATOM 0 HD12 LEU A 125 25.700 -41.735 -44.871 1.00 71.44 H new ATOM 0 HD13 LEU A 125 24.056 -41.493 -44.233 1.00 71.44 H new ATOM 0 HD21 LEU A 125 22.720 -41.183 -47.003 1.00 3.13 H new ATOM 0 HD22 LEU A 125 22.386 -40.092 -45.638 1.00 3.13 H new ATOM 0 HD23 LEU A 125 22.942 -39.427 -47.192 1.00 3.13 H new ATOM 1877 N GLU A 126 28.001 -40.423 -46.248 1.00 32.54 N ATOM 1878 CA GLU A 126 28.778 -40.811 -47.433 1.00 33.15 C ATOM 1879 C GLU A 126 28.927 -42.338 -47.524 1.00 35.03 C ATOM 1880 O GLU A 126 29.033 -43.025 -46.508 1.00 40.42 O ATOM 1881 CB GLU A 126 30.164 -40.146 -47.422 1.00 10.40 C ATOM 1882 CG GLU A 126 30.999 -40.471 -48.658 1.00 41.14 C ATOM 1883 CD GLU A 126 32.336 -39.751 -48.687 1.00 61.33 C ATOM 1884 OE1 GLU A 126 32.380 -38.588 -49.140 1.00 42.43 O ATOM 1885 OE2 GLU A 126 33.355 -40.353 -48.283 1.00 62.00 O ATOM 0 H GLU A 126 28.052 -41.089 -45.477 1.00 32.54 H new ATOM 0 HA GLU A 126 28.232 -40.466 -48.311 1.00 33.15 H new ATOM 0 HB2 GLU A 126 30.040 -39.065 -47.349 1.00 10.40 H new ATOM 0 HB3 GLU A 126 30.706 -40.465 -46.532 1.00 10.40 H new ATOM 0 HG2 GLU A 126 31.173 -41.546 -48.698 1.00 41.14 H new ATOM 0 HG3 GLU A 126 30.432 -40.206 -49.551 1.00 41.14 H new ATOM 1892 N HIS A 127 28.919 -42.869 -48.747 1.00 65.23 N ATOM 1893 CA HIS A 127 29.067 -44.315 -48.964 1.00 23.51 C ATOM 1894 C HIS A 127 29.856 -44.622 -50.247 1.00 24.12 C ATOM 1895 O HIS A 127 29.650 -45.657 -50.881 1.00 2.35 O ATOM 1896 CB HIS A 127 27.682 -44.980 -49.016 1.00 32.10 C ATOM 1897 CG HIS A 127 26.720 -44.335 -49.974 1.00 0.41 C ATOM 1898 ND1 HIS A 127 25.591 -43.661 -49.562 1.00 33.43 N ATOM 1899 CD2 HIS A 127 26.709 -44.277 -51.329 1.00 14.41 C ATOM 1900 CE1 HIS A 127 24.933 -43.218 -50.613 1.00 61.33 C ATOM 1901 NE2 HIS A 127 25.588 -43.574 -51.696 1.00 12.44 N ATOM 0 H HIS A 127 28.812 -42.324 -49.603 1.00 65.23 H new ATOM 0 HA HIS A 127 29.634 -44.723 -48.127 1.00 23.51 H new ATOM 0 HB2 HIS A 127 27.805 -46.027 -49.293 1.00 32.10 H new ATOM 0 HB3 HIS A 127 27.247 -44.964 -48.017 1.00 32.10 H new ATOM 0 HD2 HIS A 127 27.444 -44.704 -51.995 1.00 14.41 H new ATOM 0 HE1 HIS A 127 24.011 -42.657 -50.589 1.00 61.33 H new ATOM 0 HE2 HIS A 127 25.309 -43.362 -52.654 1.00 12.44 H new ATOM 1910 N HIS A 128 30.770 -43.729 -50.618 1.00 40.31 N ATOM 1911 CA HIS A 128 31.551 -43.896 -51.848 1.00 44.23 C ATOM 1912 C HIS A 128 32.957 -44.456 -51.561 1.00 50.13 C ATOM 1913 O HIS A 128 33.786 -43.794 -50.932 1.00 31.01 O ATOM 1914 CB HIS A 128 31.656 -42.560 -52.592 1.00 43.33 C ATOM 1915 CG HIS A 128 32.329 -42.663 -53.927 1.00 21.21 C ATOM 1916 ND1 HIS A 128 31.731 -43.230 -55.030 1.00 73.30 N ATOM 1917 CD2 HIS A 128 33.560 -42.270 -54.332 1.00 61.31 C ATOM 1918 CE1 HIS A 128 32.559 -43.183 -56.053 1.00 13.43 C ATOM 1919 NE2 HIS A 128 33.673 -42.605 -55.656 1.00 13.03 N ATOM 0 H HIS A 128 30.990 -42.885 -50.090 1.00 40.31 H new ATOM 0 HA HIS A 128 31.029 -44.619 -52.475 1.00 44.23 H new ATOM 0 HB2 HIS A 128 30.655 -42.152 -52.731 1.00 43.33 H new ATOM 0 HB3 HIS A 128 32.206 -41.852 -51.972 1.00 43.33 H new ATOM 0 HD2 HIS A 128 34.311 -41.784 -53.726 1.00 61.31 H new ATOM 0 HE1 HIS A 128 32.358 -43.555 -57.047 1.00 13.43 H new ATOM 0 HE2 HIS A 128 34.491 -42.434 -56.241 1.00 13.03 H new ATOM 1928 N HIS A 129 33.211 -45.672 -52.041 1.00 21.25 N ATOM 1929 CA HIS A 129 34.513 -46.331 -51.888 1.00 33.24 C ATOM 1930 C HIS A 129 34.855 -47.125 -53.162 1.00 44.33 C ATOM 1931 O HIS A 129 34.138 -48.054 -53.534 1.00 24.14 O ATOM 1932 CB HIS A 129 34.492 -47.258 -50.664 1.00 3.32 C ATOM 1933 CG HIS A 129 35.843 -47.768 -50.261 1.00 5.21 C ATOM 1934 ND1 HIS A 129 36.660 -47.097 -49.384 1.00 75.54 N ATOM 1935 CD2 HIS A 129 36.512 -48.894 -50.603 1.00 23.13 C ATOM 1936 CE1 HIS A 129 37.767 -47.781 -49.200 1.00 33.34 C ATOM 1937 NE2 HIS A 129 37.710 -48.880 -49.927 1.00 22.42 N ATOM 0 H HIS A 129 32.523 -46.230 -52.547 1.00 21.25 H new ATOM 0 HA HIS A 129 35.281 -45.573 -51.736 1.00 33.24 H new ATOM 0 HB2 HIS A 129 34.052 -46.722 -49.823 1.00 3.32 H new ATOM 0 HB3 HIS A 129 33.843 -48.108 -50.876 1.00 3.32 H new ATOM 0 HD2 HIS A 129 36.169 -49.661 -51.281 1.00 23.13 H new ATOM 0 HE1 HIS A 129 38.587 -47.491 -48.560 1.00 33.34 H new ATOM 0 HE2 HIS A 129 38.432 -49.598 -49.979 1.00 22.42 H new ATOM 1946 N HIS A 130 35.947 -46.756 -53.830 1.00 1.11 N ATOM 1947 CA HIS A 130 36.286 -47.332 -55.143 1.00 63.10 C ATOM 1948 C HIS A 130 37.725 -47.898 -55.177 1.00 35.42 C ATOM 1949 O HIS A 130 38.693 -47.146 -55.306 1.00 11.22 O ATOM 1950 CB HIS A 130 36.114 -46.250 -56.223 1.00 62.05 C ATOM 1951 CG HIS A 130 36.163 -46.763 -57.631 1.00 14.44 C ATOM 1952 ND1 HIS A 130 37.290 -46.706 -58.416 1.00 52.13 N ATOM 1953 CD2 HIS A 130 35.200 -47.321 -58.403 1.00 44.31 C ATOM 1954 CE1 HIS A 130 37.025 -47.203 -59.605 1.00 5.02 C ATOM 1955 NE2 HIS A 130 35.764 -47.582 -59.627 1.00 73.42 N ATOM 0 H HIS A 130 36.614 -46.063 -53.490 1.00 1.11 H new ATOM 0 HA HIS A 130 35.612 -48.167 -55.335 1.00 63.10 H new ATOM 0 HB2 HIS A 130 35.160 -45.747 -56.066 1.00 62.05 H new ATOM 0 HB3 HIS A 130 36.895 -45.500 -56.096 1.00 62.05 H new ATOM 0 HD2 HIS A 130 34.180 -47.523 -58.111 1.00 44.31 H new ATOM 0 HE1 HIS A 130 37.724 -47.286 -60.424 1.00 5.02 H new ATOM 0 HE2 HIS A 130 35.285 -48.001 -60.424 1.00 73.42 H new ATOM 1964 N HIS A 131 37.855 -49.225 -55.048 1.00 51.32 N ATOM 1965 CA HIS A 131 39.168 -49.906 -55.103 1.00 23.34 C ATOM 1966 C HIS A 131 39.032 -51.379 -55.534 1.00 34.15 C ATOM 1967 O HIS A 131 38.160 -52.096 -55.048 1.00 3.01 O ATOM 1968 CB HIS A 131 39.874 -49.858 -53.734 1.00 12.21 C ATOM 1969 CG HIS A 131 40.513 -48.540 -53.403 1.00 24.33 C ATOM 1970 ND1 HIS A 131 41.678 -48.101 -53.994 1.00 24.13 N ATOM 1971 CD2 HIS A 131 40.157 -47.572 -52.522 1.00 12.43 C ATOM 1972 CE1 HIS A 131 42.014 -46.931 -53.493 1.00 53.33 C ATOM 1973 NE2 HIS A 131 41.109 -46.584 -52.600 1.00 54.22 N ATOM 0 H HIS A 131 37.067 -49.856 -54.904 1.00 51.32 H new ATOM 0 HA HIS A 131 39.762 -49.372 -55.845 1.00 23.34 H new ATOM 0 HB2 HIS A 131 39.148 -50.099 -52.958 1.00 12.21 H new ATOM 0 HB3 HIS A 131 40.639 -50.634 -53.708 1.00 12.21 H new ATOM 0 HD2 HIS A 131 39.289 -47.577 -51.880 1.00 12.43 H new ATOM 0 HE1 HIS A 131 42.884 -46.353 -53.767 1.00 53.33 H new ATOM 0 HE2 HIS A 131 41.114 -45.722 -52.055 1.00 54.22 H new ATOM 1982 N HIS A 132 39.905 -51.822 -56.442 1.00 1.51 N ATOM 1983 CA HIS A 132 39.976 -53.238 -56.844 1.00 55.54 C ATOM 1984 C HIS A 132 41.374 -53.599 -57.354 1.00 64.52 C ATOM 1985 O HIS A 132 41.943 -52.901 -58.204 1.00 55.14 O ATOM 1986 CB HIS A 132 38.927 -53.573 -57.920 1.00 23.22 C ATOM 1987 CG HIS A 132 37.539 -53.738 -57.383 1.00 73.24 C ATOM 1988 ND1 HIS A 132 36.482 -52.941 -57.760 1.00 73.31 N ATOM 1989 CD2 HIS A 132 37.035 -54.628 -56.494 1.00 63.24 C ATOM 1990 CE1 HIS A 132 35.393 -53.327 -57.129 1.00 3.11 C ATOM 1991 NE2 HIS A 132 35.699 -54.348 -56.357 1.00 34.41 N ATOM 0 H HIS A 132 40.578 -51.221 -56.918 1.00 1.51 H new ATOM 0 HA HIS A 132 39.761 -53.832 -55.956 1.00 55.54 H new ATOM 0 HB2 HIS A 132 38.924 -52.782 -58.670 1.00 23.22 H new ATOM 0 HB3 HIS A 132 39.222 -54.492 -58.427 1.00 23.22 H new ATOM 0 HD2 HIS A 132 37.582 -55.410 -55.989 1.00 63.24 H new ATOM 0 HE1 HIS A 132 34.414 -52.881 -57.228 1.00 3.11 H new ATOM 0 HE2 HIS A 132 35.048 -54.850 -55.754 1.00 34.41 H new TER 2000 HIS A 132