USER MOD reduce.3.24.130724 H: found=0, std=0, add=893, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 891 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 95 SER OG : rot 110:sc= 0.817 USER MOD Set 1.2: A 110 LYS NZ :NH3+ -167:sc= 0.861 (180deg=-0.0879) USER MOD Set 2.1: A 88 ASN : amide:sc= 3.3 K(o=4.5,f=-2.7!) USER MOD Set 2.2: A 90 THR OG1 : rot -46:sc= 1.23 USER MOD Set 3.1: A 53 LYS NZ :NH3+ 172:sc= 0.459 (180deg=0) USER MOD Set 3.2: A 97 THR OG1 : rot -8:sc= 0.93 USER MOD Set 4.1: A 14 MET CE :methyl 173:sc= -0.79 (180deg=-0.398) USER MOD Set 4.2: A 41 CYS SG : rot 15:sc= -0.476 USER MOD Set 4.3: A 43 ASN : amide:sc= 0.57 K(o=-0.7,f=-9.1!) USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.164 (180deg=0) USER MOD Single : A 2 CYS SG : rot 170:sc= -0.362 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0129) USER MOD Single : A 21 SER OG : rot 180:sc= 0.0153 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0135) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -136:sc= 0.777 (180deg=-0.00654) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 172:sc= 1.33 USER MOD Single : A 51 SER OG : rot -19:sc= 1.05 USER MOD Single : A 57 LYS NZ :NH3+ -177:sc= 1.24 (180deg=1.2) USER MOD Single : A 59 LYS NZ :NH3+ -133:sc= -0.0538 (180deg=-0.804) USER MOD Single : A 61 ASN : amide:sc= 0.5 K(o=0.5,f=-2.8!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 170:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 24:sc= 0.939 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 1.21 K(o=1.2,f=-1.1) USER MOD Single : A 82 LYS NZ :NH3+ 140:sc= 0.926 (180deg=0.122) USER MOD Single : A 86 ASN : amide:sc= -0.535 X(o=-0.54,f=-0.57) USER MOD Single : A 91 ASN : amide:sc= -0.712 X(o=-0.71,f=-0.81) USER MOD Single : A 93 SER OG : rot 180:sc= 0.176 USER MOD Single : A 99 CYS SG : rot -119:sc= 0.0356 USER MOD Single : A 104 ASN : amide:sc=-0.00542 X(o=-0.0054,f=-0.0054) USER MOD Single : A 113 GLN : amide:sc= 0.574 K(o=0.57,f=-0.72) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= -0.243 X(o=-0.24,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.863 28.673 -17.495 1.00 61.43 N ATOM 2 CA GLY A 1 -9.123 29.264 -16.178 1.00 25.03 C ATOM 3 C GLY A 1 -10.343 28.601 -15.567 1.00 5.45 C ATOM 4 O GLY A 1 -10.907 27.678 -16.158 1.00 14.43 O ATOM 0 H1 GLY A 1 -7.909 28.258 -17.507 1.00 61.43 H new ATOM 0 H2 GLY A 1 -9.566 27.931 -17.687 1.00 61.43 H new ATOM 0 H3 GLY A 1 -8.929 29.410 -18.226 1.00 61.43 H new ATOM 0 HA2 GLY A 1 -8.258 29.130 -15.529 1.00 25.03 H new ATOM 0 HA3 GLY A 1 -9.287 30.337 -16.274 1.00 25.03 H new ATOM 8 N CYS A 2 -10.776 29.050 -14.389 1.00 11.41 N ATOM 9 CA CYS A 2 -12.065 28.661 -13.848 1.00 53.42 C ATOM 10 C CYS A 2 -12.539 29.729 -12.873 1.00 12.53 C ATOM 11 O CYS A 2 -11.721 30.398 -12.237 1.00 41.20 O ATOM 12 CB CYS A 2 -11.942 27.309 -13.136 1.00 64.31 C ATOM 13 SG CYS A 2 -13.527 26.447 -13.221 1.00 34.03 S ATOM 0 H CYS A 2 -10.245 29.686 -13.794 1.00 11.41 H new ATOM 0 HA CYS A 2 -12.790 28.564 -14.656 1.00 53.42 H new ATOM 0 HB2 CYS A 2 -11.162 26.708 -13.603 1.00 64.31 H new ATOM 0 HB3 CYS A 2 -11.650 27.457 -12.096 1.00 64.31 H new ATOM 0 HG CYS A 2 -13.377 25.222 -12.813 1.00 34.03 H new ATOM 19 N GLU A 3 -13.852 29.819 -12.699 1.00 2.25 N ATOM 20 CA GLU A 3 -14.523 30.699 -11.761 1.00 3.45 C ATOM 21 C GLU A 3 -15.490 29.797 -11.000 1.00 32.02 C ATOM 22 O GLU A 3 -16.544 29.408 -11.509 1.00 13.15 O ATOM 23 CB GLU A 3 -15.196 31.873 -12.492 1.00 64.32 C ATOM 24 CG GLU A 3 -14.144 32.852 -13.038 1.00 5.53 C ATOM 25 CD GLU A 3 -14.781 34.029 -13.780 1.00 22.04 C ATOM 26 OE1 GLU A 3 -15.327 34.916 -13.087 1.00 31.33 O ATOM 27 OE2 GLU A 3 -14.694 34.031 -15.028 1.00 54.53 O ATOM 0 H GLU A 3 -14.506 29.251 -13.237 1.00 2.25 H new ATOM 0 HA GLU A 3 -13.841 31.185 -11.063 1.00 3.45 H new ATOM 0 HB2 GLU A 3 -15.807 31.495 -13.312 1.00 64.32 H new ATOM 0 HB3 GLU A 3 -15.866 32.396 -11.810 1.00 64.32 H new ATOM 0 HG2 GLU A 3 -13.538 33.229 -12.214 1.00 5.53 H new ATOM 0 HG3 GLU A 3 -13.471 32.321 -13.711 1.00 5.53 H new ATOM 34 N LEU A 4 -15.061 29.357 -9.818 1.00 22.02 N ATOM 35 CA LEU A 4 -15.771 28.455 -8.920 1.00 61.14 C ATOM 36 C LEU A 4 -15.498 28.933 -7.496 1.00 74.02 C ATOM 37 O LEU A 4 -14.475 29.568 -7.231 1.00 64.44 O ATOM 38 CB LEU A 4 -15.254 27.012 -9.084 1.00 14.32 C ATOM 39 CG LEU A 4 -15.806 26.225 -10.279 1.00 74.32 C ATOM 40 CD1 LEU A 4 -14.955 24.972 -10.504 1.00 13.44 C ATOM 41 CD2 LEU A 4 -17.254 25.781 -10.042 1.00 13.22 C ATOM 0 H LEU A 4 -14.156 29.639 -9.442 1.00 22.02 H new ATOM 0 HA LEU A 4 -16.838 28.459 -9.144 1.00 61.14 H new ATOM 0 HB2 LEU A 4 -14.168 27.045 -9.168 1.00 14.32 H new ATOM 0 HB3 LEU A 4 -15.486 26.460 -8.174 1.00 14.32 H new ATOM 0 HG LEU A 4 -15.774 26.882 -11.148 1.00 74.32 H new ATOM 0 HD11 LEU A 4 -15.348 24.413 -11.353 1.00 13.44 H new ATOM 0 HD12 LEU A 4 -13.925 25.264 -10.707 1.00 13.44 H new ATOM 0 HD13 LEU A 4 -14.986 24.346 -9.612 1.00 13.44 H new ATOM 0 HD21 LEU A 4 -17.611 25.226 -10.910 1.00 13.22 H new ATOM 0 HD22 LEU A 4 -17.299 25.143 -9.160 1.00 13.22 H new ATOM 0 HD23 LEU A 4 -17.883 26.658 -9.888 1.00 13.22 H new ATOM 53 N SER A 5 -16.397 28.608 -6.574 1.00 73.42 N ATOM 54 CA SER A 5 -16.403 29.086 -5.196 1.00 52.11 C ATOM 55 C SER A 5 -15.502 28.252 -4.267 1.00 34.42 C ATOM 56 O SER A 5 -15.808 28.136 -3.083 1.00 43.34 O ATOM 57 CB SER A 5 -17.863 29.080 -4.714 1.00 72.14 C ATOM 58 OG SER A 5 -18.721 29.672 -5.682 1.00 3.55 O ATOM 0 H SER A 5 -17.174 27.978 -6.774 1.00 73.42 H new ATOM 0 HA SER A 5 -15.988 30.093 -5.164 1.00 52.11 H new ATOM 0 HB2 SER A 5 -18.181 28.056 -4.518 1.00 72.14 H new ATOM 0 HB3 SER A 5 -17.941 29.623 -3.772 1.00 72.14 H new ATOM 0 HG SER A 5 -19.644 29.655 -5.354 1.00 3.55 H new ATOM 64 N ASP A 6 -14.443 27.627 -4.787 1.00 43.10 N ATOM 65 CA ASP A 6 -13.722 26.515 -4.159 1.00 71.12 C ATOM 66 C ASP A 6 -12.207 26.753 -4.029 1.00 5.22 C ATOM 67 O ASP A 6 -11.397 26.017 -4.598 1.00 54.02 O ATOM 68 CB ASP A 6 -14.042 25.235 -4.933 1.00 11.35 C ATOM 69 CG ASP A 6 -13.452 25.183 -6.352 1.00 42.23 C ATOM 70 OD1 ASP A 6 -13.214 26.254 -6.963 1.00 44.11 O ATOM 71 OD2 ASP A 6 -13.237 24.061 -6.870 1.00 70.04 O ATOM 0 H ASP A 6 -14.049 27.890 -5.690 1.00 43.10 H new ATOM 0 HA ASP A 6 -14.066 26.423 -3.129 1.00 71.12 H new ATOM 0 HB2 ASP A 6 -13.670 24.381 -4.367 1.00 11.35 H new ATOM 0 HB3 ASP A 6 -15.125 25.127 -4.999 1.00 11.35 H new ATOM 76 N PRO A 7 -11.782 27.757 -3.247 1.00 41.13 N ATOM 77 CA PRO A 7 -10.372 28.005 -2.970 1.00 61.22 C ATOM 78 C PRO A 7 -9.757 26.851 -2.169 1.00 14.42 C ATOM 79 O PRO A 7 -8.667 26.377 -2.485 1.00 21.31 O ATOM 80 CB PRO A 7 -10.343 29.321 -2.189 1.00 21.51 C ATOM 81 CG PRO A 7 -11.721 29.400 -1.525 1.00 30.41 C ATOM 82 CD PRO A 7 -12.636 28.663 -2.504 1.00 62.21 C ATOM 0 HA PRO A 7 -9.780 28.073 -3.883 1.00 61.22 H new ATOM 0 HB2 PRO A 7 -9.544 29.326 -1.448 1.00 21.51 H new ATOM 0 HB3 PRO A 7 -10.171 30.171 -2.849 1.00 21.51 H new ATOM 0 HG2 PRO A 7 -11.720 28.927 -0.543 1.00 30.41 H new ATOM 0 HG3 PRO A 7 -12.038 30.433 -1.381 1.00 30.41 H new ATOM 0 HD2 PRO A 7 -13.416 28.117 -1.973 1.00 62.21 H new ATOM 0 HD3 PRO A 7 -13.136 29.363 -3.173 1.00 62.21 H new ATOM 90 N ASP A 8 -10.467 26.386 -1.138 1.00 61.42 N ATOM 91 CA ASP A 8 -10.041 25.313 -0.249 1.00 53.40 C ATOM 92 C ASP A 8 -11.254 24.415 -0.049 1.00 13.22 C ATOM 93 O ASP A 8 -11.834 24.337 1.038 1.00 4.23 O ATOM 94 CB ASP A 8 -9.481 25.870 1.070 1.00 25.24 C ATOM 95 CG ASP A 8 -8.059 26.400 0.916 1.00 14.21 C ATOM 96 OD1 ASP A 8 -7.168 25.609 0.533 1.00 61.21 O ATOM 97 OD2 ASP A 8 -7.818 27.588 1.237 1.00 10.42 O ATOM 0 H ASP A 8 -11.384 26.761 -0.895 1.00 61.42 H new ATOM 0 HA ASP A 8 -9.221 24.737 -0.678 1.00 53.40 H new ATOM 0 HB2 ASP A 8 -10.128 26.671 1.428 1.00 25.24 H new ATOM 0 HB3 ASP A 8 -9.495 25.087 1.828 1.00 25.24 H new ATOM 102 N GLY A 9 -11.729 23.842 -1.155 1.00 13.12 N ATOM 103 CA GLY A 9 -12.871 22.935 -1.209 1.00 70.41 C ATOM 104 C GLY A 9 -12.490 21.550 -1.731 1.00 25.22 C ATOM 105 O GLY A 9 -13.375 20.730 -1.986 1.00 3.35 O ATOM 0 H GLY A 9 -11.312 24.004 -2.071 1.00 13.12 H new ATOM 0 HA2 GLY A 9 -13.303 22.839 -0.213 1.00 70.41 H new ATOM 0 HA3 GLY A 9 -13.642 23.363 -1.850 1.00 70.41 H new ATOM 109 N LEU A 10 -11.200 21.289 -1.941 1.00 73.51 N ATOM 110 CA LEU A 10 -10.626 20.090 -2.504 1.00 10.14 C ATOM 111 C LEU A 10 -9.843 19.333 -1.421 1.00 72.24 C ATOM 112 O LEU A 10 -9.962 19.656 -0.234 1.00 14.42 O ATOM 113 CB LEU A 10 -9.843 20.402 -3.784 1.00 23.33 C ATOM 114 CG LEU A 10 -8.821 21.551 -3.798 1.00 41.24 C ATOM 115 CD1 LEU A 10 -8.040 21.443 -5.109 1.00 24.12 C ATOM 116 CD2 LEU A 10 -9.529 22.909 -3.733 1.00 72.43 C ATOM 0 H LEU A 10 -10.481 21.971 -1.699 1.00 73.51 H new ATOM 0 HA LEU A 10 -11.411 19.408 -2.831 1.00 10.14 H new ATOM 0 HB2 LEU A 10 -9.313 19.493 -4.070 1.00 23.33 H new ATOM 0 HB3 LEU A 10 -10.572 20.606 -4.568 1.00 23.33 H new ATOM 0 HG LEU A 10 -8.160 21.478 -2.934 1.00 41.24 H new ATOM 0 HD11 LEU A 10 -7.301 22.243 -5.159 1.00 24.12 H new ATOM 0 HD12 LEU A 10 -7.534 20.479 -5.153 1.00 24.12 H new ATOM 0 HD13 LEU A 10 -8.727 21.530 -5.950 1.00 24.12 H new ATOM 0 HD21 LEU A 10 -8.787 23.707 -3.744 1.00 72.43 H new ATOM 0 HD22 LEU A 10 -10.190 23.016 -4.593 1.00 72.43 H new ATOM 0 HD23 LEU A 10 -10.114 22.971 -2.816 1.00 72.43 H new ATOM 128 N ALA A 11 -9.113 18.289 -1.806 1.00 52.24 N ATOM 129 CA ALA A 11 -8.597 17.244 -0.940 1.00 70.41 C ATOM 130 C ALA A 11 -7.186 16.871 -1.396 1.00 63.53 C ATOM 131 O ALA A 11 -7.025 16.079 -2.333 1.00 5.43 O ATOM 132 CB ALA A 11 -9.565 16.065 -1.034 1.00 61.33 C ATOM 0 H ALA A 11 -8.855 18.146 -2.782 1.00 52.24 H new ATOM 0 HA ALA A 11 -8.525 17.565 0.099 1.00 70.41 H new ATOM 0 HB1 ALA A 11 -9.214 15.254 -0.396 1.00 61.33 H new ATOM 0 HB2 ALA A 11 -10.556 16.381 -0.707 1.00 61.33 H new ATOM 0 HB3 ALA A 11 -9.617 15.718 -2.066 1.00 61.33 H new ATOM 138 N ASP A 12 -6.180 17.489 -0.779 1.00 52.40 N ATOM 139 CA ASP A 12 -4.782 17.369 -1.202 1.00 10.21 C ATOM 140 C ASP A 12 -4.214 15.998 -0.841 1.00 43.24 C ATOM 141 O ASP A 12 -4.573 15.474 0.214 1.00 10.22 O ATOM 142 CB ASP A 12 -3.917 18.456 -0.545 1.00 31.15 C ATOM 143 CG ASP A 12 -3.146 19.273 -1.584 1.00 51.41 C ATOM 144 OD1 ASP A 12 -3.762 19.864 -2.503 1.00 43.21 O ATOM 145 OD2 ASP A 12 -1.896 19.270 -1.504 1.00 34.42 O ATOM 0 H ASP A 12 -6.311 18.091 0.034 1.00 52.40 H new ATOM 0 HA ASP A 12 -4.760 17.492 -2.285 1.00 10.21 H new ATOM 0 HB2 ASP A 12 -4.551 19.120 0.042 1.00 31.15 H new ATOM 0 HB3 ASP A 12 -3.214 17.992 0.147 1.00 31.15 H new ATOM 150 N PRO A 13 -3.284 15.441 -1.637 1.00 22.12 N ATOM 151 CA PRO A 13 -2.778 14.095 -1.424 1.00 4.44 C ATOM 152 C PRO A 13 -1.929 14.010 -0.157 1.00 53.04 C ATOM 153 O PRO A 13 -1.498 15.020 0.431 1.00 22.13 O ATOM 154 CB PRO A 13 -1.973 13.739 -2.678 1.00 23.12 C ATOM 155 CG PRO A 13 -1.527 15.096 -3.211 1.00 14.35 C ATOM 156 CD PRO A 13 -2.681 16.021 -2.824 1.00 70.53 C ATOM 0 HA PRO A 13 -3.592 13.386 -1.273 1.00 4.44 H new ATOM 0 HB2 PRO A 13 -1.121 13.101 -2.441 1.00 23.12 H new ATOM 0 HB3 PRO A 13 -2.581 13.202 -3.406 1.00 23.12 H new ATOM 0 HG2 PRO A 13 -0.587 15.416 -2.762 1.00 14.35 H new ATOM 0 HG3 PRO A 13 -1.373 15.074 -4.290 1.00 14.35 H new ATOM 0 HD2 PRO A 13 -2.321 17.030 -2.624 1.00 70.53 H new ATOM 0 HD3 PRO A 13 -3.408 16.096 -3.633 1.00 70.53 H new ATOM 164 N MET A 14 -1.675 12.771 0.254 1.00 22.23 N ATOM 165 CA MET A 14 -0.767 12.490 1.340 1.00 3.35 C ATOM 166 C MET A 14 0.654 12.698 0.818 1.00 12.25 C ATOM 167 O MET A 14 0.912 12.686 -0.385 1.00 73.34 O ATOM 168 CB MET A 14 -0.989 11.062 1.852 1.00 25.55 C ATOM 169 CG MET A 14 -2.464 10.762 2.142 1.00 64.43 C ATOM 170 SD MET A 14 -2.814 9.082 2.687 1.00 72.13 S ATOM 171 CE MET A 14 -1.816 8.966 4.192 1.00 12.14 C ATOM 0 H MET A 14 -2.097 11.941 -0.162 1.00 22.23 H new ATOM 0 HA MET A 14 -0.940 13.157 2.184 1.00 3.35 H new ATOM 0 HB2 MET A 14 -0.616 10.353 1.113 1.00 25.55 H new ATOM 0 HB3 MET A 14 -0.406 10.911 2.761 1.00 25.55 H new ATOM 0 HG2 MET A 14 -2.815 11.455 2.906 1.00 64.43 H new ATOM 0 HG3 MET A 14 -3.043 10.962 1.240 1.00 64.43 H new ATOM 0 HE1 MET A 14 -2.032 8.026 4.700 1.00 12.14 H new ATOM 0 HE2 MET A 14 -0.758 9.003 3.931 1.00 12.14 H new ATOM 0 HE3 MET A 14 -2.056 9.799 4.853 1.00 12.14 H new ATOM 181 N LYS A 15 1.598 12.903 1.728 1.00 12.02 N ATOM 182 CA LYS A 15 3.006 13.061 1.439 1.00 54.22 C ATOM 183 C LYS A 15 3.752 12.110 2.330 1.00 44.43 C ATOM 184 O LYS A 15 3.427 12.014 3.511 1.00 63.44 O ATOM 185 CB LYS A 15 3.377 14.518 1.692 1.00 42.23 C ATOM 186 CG LYS A 15 4.846 14.745 2.025 1.00 3.14 C ATOM 187 CD LYS A 15 5.343 16.127 1.603 1.00 44.14 C ATOM 188 CE LYS A 15 4.508 17.303 2.116 1.00 25.43 C ATOM 189 NZ LYS A 15 5.135 18.575 1.717 1.00 43.21 N ATOM 0 H LYS A 15 1.389 12.965 2.724 1.00 12.02 H new ATOM 0 HA LYS A 15 3.258 12.831 0.404 1.00 54.22 H new ATOM 0 HB2 LYS A 15 3.123 15.104 0.809 1.00 42.23 H new ATOM 0 HB3 LYS A 15 2.768 14.898 2.512 1.00 42.23 H new ATOM 0 HG2 LYS A 15 4.993 14.623 3.098 1.00 3.14 H new ATOM 0 HG3 LYS A 15 5.448 13.982 1.532 1.00 3.14 H new ATOM 0 HD2 LYS A 15 6.368 16.250 1.953 1.00 44.14 H new ATOM 0 HD3 LYS A 15 5.371 16.169 0.514 1.00 44.14 H new ATOM 0 HE2 LYS A 15 3.496 17.245 1.714 1.00 25.43 H new ATOM 0 HE3 LYS A 15 4.423 17.254 3.202 1.00 25.43 H new ATOM 0 HZ1 LYS A 15 4.563 19.369 2.068 1.00 43.21 H new ATOM 0 HZ2 LYS A 15 6.092 18.632 2.121 1.00 43.21 H new ATOM 0 HZ3 LYS A 15 5.193 18.623 0.680 1.00 43.21 H new ATOM 203 N TRP A 16 4.797 11.484 1.814 1.00 64.51 N ATOM 204 CA TRP A 16 5.520 10.445 2.521 1.00 25.12 C ATOM 205 C TRP A 16 7.008 10.766 2.438 1.00 1.41 C ATOM 206 O TRP A 16 7.620 10.663 1.384 1.00 63.31 O ATOM 207 CB TRP A 16 5.135 9.080 1.945 1.00 34.41 C ATOM 208 CG TRP A 16 3.664 8.804 1.799 1.00 42.23 C ATOM 209 CD1 TRP A 16 2.906 9.266 0.784 1.00 3.13 C ATOM 210 CD2 TRP A 16 2.769 7.956 2.580 1.00 71.12 C ATOM 211 NE1 TRP A 16 1.642 8.734 0.850 1.00 63.12 N ATOM 212 CE2 TRP A 16 1.496 7.906 1.938 1.00 11.02 C ATOM 213 CE3 TRP A 16 2.913 7.196 3.753 1.00 51.24 C ATOM 214 CZ2 TRP A 16 0.441 7.117 2.422 1.00 12.24 C ATOM 215 CZ3 TRP A 16 1.863 6.407 4.258 1.00 44.23 C ATOM 216 CH2 TRP A 16 0.625 6.366 3.594 1.00 30.23 C ATOM 0 H TRP A 16 5.168 11.686 0.886 1.00 64.51 H new ATOM 0 HA TRP A 16 5.260 10.404 3.579 1.00 25.12 H new ATOM 0 HB2 TRP A 16 5.600 8.980 0.964 1.00 34.41 H new ATOM 0 HB3 TRP A 16 5.566 8.307 2.582 1.00 34.41 H new ATOM 0 HD1 TRP A 16 3.245 9.957 0.026 1.00 3.13 H new ATOM 0 HE1 TRP A 16 0.902 8.929 0.175 1.00 63.12 H new ATOM 0 HE3 TRP A 16 3.855 7.218 4.281 1.00 51.24 H new ATOM 0 HZ2 TRP A 16 -0.503 7.088 1.898 1.00 12.24 H new ATOM 0 HZ3 TRP A 16 2.009 5.831 5.160 1.00 44.23 H new ATOM 0 HH2 TRP A 16 -0.180 5.760 3.983 1.00 30.23 H new ATOM 227 N SER A 17 7.602 11.199 3.551 1.00 14.35 N ATOM 228 CA SER A 17 9.006 11.613 3.608 1.00 50.33 C ATOM 229 C SER A 17 9.944 10.422 3.844 1.00 61.50 C ATOM 230 O SER A 17 11.100 10.607 4.236 1.00 61.40 O ATOM 231 CB SER A 17 9.151 12.670 4.702 1.00 25.14 C ATOM 232 OG SER A 17 10.216 13.573 4.481 1.00 21.22 O ATOM 0 H SER A 17 7.119 11.273 4.446 1.00 14.35 H new ATOM 0 HA SER A 17 9.298 12.038 2.647 1.00 50.33 H new ATOM 0 HB2 SER A 17 8.220 13.232 4.778 1.00 25.14 H new ATOM 0 HB3 SER A 17 9.302 12.171 5.659 1.00 25.14 H new ATOM 0 HG SER A 17 10.252 14.222 5.214 1.00 21.22 H new ATOM 238 N LYS A 18 9.449 9.198 3.684 1.00 71.24 N ATOM 239 CA LYS A 18 10.186 7.947 3.767 1.00 33.31 C ATOM 240 C LYS A 18 9.392 7.021 2.861 1.00 21.34 C ATOM 241 O LYS A 18 8.225 6.797 3.172 1.00 41.33 O ATOM 242 CB LYS A 18 10.210 7.462 5.229 1.00 51.02 C ATOM 243 CG LYS A 18 11.528 6.781 5.565 1.00 24.32 C ATOM 244 CD LYS A 18 12.658 7.811 5.710 1.00 51.13 C ATOM 245 CE LYS A 18 13.941 7.230 5.122 1.00 50.01 C ATOM 246 NZ LYS A 18 14.435 6.077 5.908 1.00 25.12 N ATOM 0 H LYS A 18 8.461 9.047 3.480 1.00 71.24 H new ATOM 0 HA LYS A 18 11.230 8.013 3.462 1.00 33.31 H new ATOM 0 HB2 LYS A 18 10.055 8.309 5.898 1.00 51.02 H new ATOM 0 HB3 LYS A 18 9.387 6.768 5.398 1.00 51.02 H new ATOM 0 HG2 LYS A 18 11.424 6.217 6.492 1.00 24.32 H new ATOM 0 HG3 LYS A 18 11.781 6.065 4.783 1.00 24.32 H new ATOM 0 HD2 LYS A 18 12.393 8.735 5.196 1.00 51.13 H new ATOM 0 HD3 LYS A 18 12.806 8.062 6.760 1.00 51.13 H new ATOM 0 HE2 LYS A 18 13.760 6.918 4.094 1.00 50.01 H new ATOM 0 HE3 LYS A 18 14.709 8.003 5.090 1.00 50.01 H new ATOM 0 HZ1 LYS A 18 15.351 5.764 5.527 1.00 25.12 H new ATOM 0 HZ2 LYS A 18 14.551 6.359 6.902 1.00 25.12 H new ATOM 0 HZ3 LYS A 18 13.750 5.297 5.847 1.00 25.12 H new ATOM 260 N VAL A 19 9.957 6.597 1.735 1.00 52.24 N ATOM 261 CA VAL A 19 9.327 5.741 0.723 1.00 31.23 C ATOM 262 C VAL A 19 10.400 4.816 0.136 1.00 72.32 C ATOM 263 O VAL A 19 11.589 5.021 0.403 1.00 1.22 O ATOM 264 CB VAL A 19 8.632 6.582 -0.373 1.00 73.33 C ATOM 265 CG1 VAL A 19 7.464 7.376 0.208 1.00 13.21 C ATOM 266 CG2 VAL A 19 9.587 7.540 -1.092 1.00 2.23 C ATOM 0 H VAL A 19 10.913 6.851 1.487 1.00 52.24 H new ATOM 0 HA VAL A 19 8.545 5.138 1.185 1.00 31.23 H new ATOM 0 HB VAL A 19 8.266 5.867 -1.110 1.00 73.33 H new ATOM 0 HG11 VAL A 19 6.992 7.959 -0.582 1.00 13.21 H new ATOM 0 HG12 VAL A 19 6.735 6.689 0.637 1.00 13.21 H new ATOM 0 HG13 VAL A 19 7.831 8.047 0.984 1.00 13.21 H new ATOM 0 HG21 VAL A 19 9.038 8.101 -1.849 1.00 2.23 H new ATOM 0 HG22 VAL A 19 10.020 8.232 -0.370 1.00 2.23 H new ATOM 0 HG23 VAL A 19 10.383 6.969 -1.570 1.00 2.23 H new ATOM 276 N PRO A 20 10.014 3.745 -0.567 1.00 30.21 N ATOM 277 CA PRO A 20 10.927 2.874 -1.299 1.00 72.32 C ATOM 278 C PRO A 20 11.074 3.306 -2.767 1.00 2.33 C ATOM 279 O PRO A 20 10.077 3.619 -3.421 1.00 65.10 O ATOM 280 CB PRO A 20 10.255 1.505 -1.199 1.00 73.43 C ATOM 281 CG PRO A 20 8.764 1.835 -1.198 1.00 22.55 C ATOM 282 CD PRO A 20 8.684 3.165 -0.481 1.00 32.23 C ATOM 0 HA PRO A 20 11.939 2.892 -0.894 1.00 72.32 H new ATOM 0 HB2 PRO A 20 10.523 0.865 -2.039 1.00 73.43 H new ATOM 0 HB3 PRO A 20 10.550 0.979 -0.291 1.00 73.43 H new ATOM 0 HG2 PRO A 20 8.370 1.904 -2.212 1.00 22.55 H new ATOM 0 HG3 PRO A 20 8.186 1.068 -0.682 1.00 22.55 H new ATOM 0 HD2 PRO A 20 7.943 3.816 -0.946 1.00 32.23 H new ATOM 0 HD3 PRO A 20 8.383 3.031 0.558 1.00 32.23 H new ATOM 290 N SER A 21 12.282 3.185 -3.327 1.00 4.21 N ATOM 291 CA SER A 21 12.575 3.440 -4.740 1.00 65.31 C ATOM 292 C SER A 21 11.748 2.552 -5.671 1.00 42.43 C ATOM 293 O SER A 21 11.500 2.923 -6.819 1.00 32.54 O ATOM 294 CB SER A 21 14.056 3.156 -5.025 1.00 70.34 C ATOM 295 OG SER A 21 14.904 3.673 -4.015 1.00 2.14 O ATOM 0 H SER A 21 13.104 2.899 -2.795 1.00 4.21 H new ATOM 0 HA SER A 21 12.326 4.484 -4.929 1.00 65.31 H new ATOM 0 HB2 SER A 21 14.208 2.080 -5.109 1.00 70.34 H new ATOM 0 HB3 SER A 21 14.330 3.593 -5.985 1.00 70.34 H new ATOM 0 HG SER A 21 15.837 3.469 -4.235 1.00 2.14 H new ATOM 301 N GLY A 22 11.333 1.374 -5.186 1.00 21.25 N ATOM 302 CA GLY A 22 10.514 0.432 -5.932 1.00 31.22 C ATOM 303 C GLY A 22 9.219 1.073 -6.425 1.00 1.01 C ATOM 304 O GLY A 22 8.688 0.630 -7.440 1.00 5.45 O ATOM 0 H GLY A 22 11.566 1.051 -4.247 1.00 21.25 H new ATOM 0 HA2 GLY A 22 11.079 0.054 -6.784 1.00 31.22 H new ATOM 0 HA3 GLY A 22 10.278 -0.424 -5.300 1.00 31.22 H new ATOM 308 N LEU A 23 8.714 2.102 -5.729 1.00 63.44 N ATOM 309 CA LEU A 23 7.614 2.926 -6.199 1.00 65.24 C ATOM 310 C LEU A 23 8.009 3.673 -7.465 1.00 21.45 C ATOM 311 O LEU A 23 8.941 4.485 -7.479 1.00 34.42 O ATOM 312 CB LEU A 23 7.125 3.877 -5.105 1.00 41.33 C ATOM 313 CG LEU A 23 5.832 4.606 -5.541 1.00 34.51 C ATOM 314 CD1 LEU A 23 4.945 4.800 -4.315 1.00 24.12 C ATOM 315 CD2 LEU A 23 6.094 5.963 -6.210 1.00 44.14 C ATOM 0 H LEU A 23 9.069 2.381 -4.814 1.00 63.44 H new ATOM 0 HA LEU A 23 6.778 2.272 -6.447 1.00 65.24 H new ATOM 0 HB2 LEU A 23 6.940 3.318 -4.188 1.00 41.33 H new ATOM 0 HB3 LEU A 23 7.901 4.609 -4.881 1.00 41.33 H new ATOM 0 HG LEU A 23 5.342 3.984 -6.290 1.00 34.51 H new ATOM 0 HD11 LEU A 23 4.029 5.313 -4.606 1.00 24.12 H new ATOM 0 HD12 LEU A 23 4.697 3.828 -3.888 1.00 24.12 H new ATOM 0 HD13 LEU A 23 5.475 5.397 -3.573 1.00 24.12 H new ATOM 0 HD21 LEU A 23 5.145 6.420 -6.491 1.00 44.14 H new ATOM 0 HD22 LEU A 23 6.619 6.617 -5.514 1.00 44.14 H new ATOM 0 HD23 LEU A 23 6.704 5.817 -7.101 1.00 44.14 H new ATOM 327 N LYS A 24 7.224 3.453 -8.511 1.00 2.41 N ATOM 328 CA LYS A 24 7.327 4.134 -9.791 1.00 24.55 C ATOM 329 C LYS A 24 5.900 4.364 -10.251 1.00 64.42 C ATOM 330 O LYS A 24 5.181 3.394 -10.487 1.00 14.54 O ATOM 331 CB LYS A 24 8.139 3.255 -10.755 1.00 14.45 C ATOM 332 CG LYS A 24 8.462 3.971 -12.074 1.00 13.31 C ATOM 333 CD LYS A 24 9.416 3.161 -12.962 1.00 65.41 C ATOM 334 CE LYS A 24 8.764 1.849 -13.410 1.00 54.13 C ATOM 335 NZ LYS A 24 9.636 1.057 -14.297 1.00 74.44 N ATOM 0 H LYS A 24 6.469 2.768 -8.488 1.00 2.41 H new ATOM 0 HA LYS A 24 7.847 5.090 -9.737 1.00 24.55 H new ATOM 0 HB2 LYS A 24 9.069 2.954 -10.272 1.00 14.45 H new ATOM 0 HB3 LYS A 24 7.581 2.343 -10.968 1.00 14.45 H new ATOM 0 HG2 LYS A 24 7.536 4.160 -12.618 1.00 13.31 H new ATOM 0 HG3 LYS A 24 8.908 4.942 -11.857 1.00 13.31 H new ATOM 0 HD2 LYS A 24 9.695 3.750 -13.836 1.00 65.41 H new ATOM 0 HD3 LYS A 24 10.335 2.947 -12.416 1.00 65.41 H new ATOM 0 HE2 LYS A 24 8.510 1.255 -12.532 1.00 54.13 H new ATOM 0 HE3 LYS A 24 7.830 2.070 -13.927 1.00 54.13 H new ATOM 0 HZ1 LYS A 24 9.148 0.180 -14.571 1.00 74.44 H new ATOM 0 HZ2 LYS A 24 9.859 1.610 -15.149 1.00 74.44 H new ATOM 0 HZ3 LYS A 24 10.517 0.821 -13.797 1.00 74.44 H new ATOM 349 N ASN A 25 5.461 5.625 -10.318 1.00 31.45 N ATOM 350 CA ASN A 25 4.104 6.004 -10.729 1.00 31.43 C ATOM 351 C ASN A 25 3.012 5.268 -9.922 1.00 42.13 C ATOM 352 O ASN A 25 1.907 5.061 -10.427 1.00 21.34 O ATOM 353 CB ASN A 25 3.965 5.824 -12.260 1.00 65.43 C ATOM 354 CG ASN A 25 4.313 7.068 -13.054 1.00 42.34 C ATOM 355 OD1 ASN A 25 5.333 7.111 -13.742 1.00 42.23 O ATOM 356 ND2 ASN A 25 3.473 8.084 -12.992 1.00 12.11 N ATOM 0 H ASN A 25 6.048 6.425 -10.084 1.00 31.45 H new ATOM 0 HA ASN A 25 3.946 7.057 -10.498 1.00 31.43 H new ATOM 0 HB2 ASN A 25 4.611 5.006 -12.581 1.00 65.43 H new ATOM 0 HB3 ASN A 25 2.941 5.531 -12.491 1.00 65.43 H new ATOM 0 HD21 ASN A 25 3.661 8.934 -13.523 1.00 12.11 H new ATOM 0 HD22 ASN A 25 2.636 8.019 -12.413 1.00 12.11 H new ATOM 363 N GLY A 26 3.302 4.857 -8.682 1.00 72.34 N ATOM 364 CA GLY A 26 2.350 4.190 -7.798 1.00 54.24 C ATOM 365 C GLY A 26 2.236 2.678 -8.002 1.00 50.33 C ATOM 366 O GLY A 26 1.452 2.033 -7.298 1.00 70.43 O ATOM 0 H GLY A 26 4.223 4.983 -8.261 1.00 72.34 H new ATOM 0 HA2 GLY A 26 2.639 4.382 -6.765 1.00 54.24 H new ATOM 0 HA3 GLY A 26 1.367 4.637 -7.943 1.00 54.24 H new ATOM 370 N GLU A 27 2.973 2.089 -8.945 1.00 14.12 N ATOM 371 CA GLU A 27 3.222 0.653 -8.961 1.00 65.11 C ATOM 372 C GLU A 27 4.485 0.436 -8.121 1.00 54.04 C ATOM 373 O GLU A 27 5.328 1.332 -8.026 1.00 33.32 O ATOM 374 CB GLU A 27 3.415 0.155 -10.407 1.00 45.40 C ATOM 375 CG GLU A 27 3.293 -1.379 -10.491 1.00 51.42 C ATOM 376 CD GLU A 27 3.573 -1.941 -11.889 1.00 33.34 C ATOM 377 OE1 GLU A 27 4.756 -2.044 -12.288 1.00 70.01 O ATOM 378 OE2 GLU A 27 2.612 -2.366 -12.570 1.00 41.13 O ATOM 0 H GLU A 27 3.411 2.595 -9.715 1.00 14.12 H new ATOM 0 HA GLU A 27 2.382 0.091 -8.552 1.00 65.11 H new ATOM 0 HB2 GLU A 27 2.671 0.617 -11.056 1.00 45.40 H new ATOM 0 HB3 GLU A 27 4.394 0.465 -10.773 1.00 45.40 H new ATOM 0 HG2 GLU A 27 3.987 -1.830 -9.782 1.00 51.42 H new ATOM 0 HG3 GLU A 27 2.289 -1.673 -10.185 1.00 51.42 H new ATOM 385 N LEU A 28 4.624 -0.741 -7.519 1.00 13.32 N ATOM 386 CA LEU A 28 5.816 -1.232 -6.860 1.00 1.22 C ATOM 387 C LEU A 28 6.089 -2.602 -7.429 1.00 62.43 C ATOM 388 O LEU A 28 5.286 -3.523 -7.264 1.00 32.52 O ATOM 389 CB LEU A 28 5.674 -1.310 -5.335 1.00 45.32 C ATOM 390 CG LEU A 28 5.865 0.062 -4.688 1.00 53.01 C ATOM 391 CD1 LEU A 28 4.562 0.864 -4.594 1.00 14.03 C ATOM 392 CD2 LEU A 28 6.514 -0.075 -3.319 1.00 25.51 C ATOM 0 H LEU A 28 3.858 -1.413 -7.479 1.00 13.32 H new ATOM 0 HA LEU A 28 6.638 -0.539 -7.041 1.00 1.22 H new ATOM 0 HB2 LEU A 28 4.689 -1.701 -5.079 1.00 45.32 H new ATOM 0 HB3 LEU A 28 6.409 -2.009 -4.935 1.00 45.32 H new ATOM 0 HG LEU A 28 6.531 0.626 -5.341 1.00 53.01 H new ATOM 0 HD11 LEU A 28 4.761 1.828 -4.126 1.00 14.03 H new ATOM 0 HD12 LEU A 28 4.159 1.022 -5.594 1.00 14.03 H new ATOM 0 HD13 LEU A 28 3.838 0.313 -3.994 1.00 14.03 H new ATOM 0 HD21 LEU A 28 6.641 0.913 -2.876 1.00 25.51 H new ATOM 0 HD22 LEU A 28 5.879 -0.683 -2.675 1.00 25.51 H new ATOM 0 HD23 LEU A 28 7.488 -0.553 -3.424 1.00 25.51 H new ATOM 404 N LYS A 29 7.210 -2.716 -8.129 1.00 45.41 N ATOM 405 CA LYS A 29 7.632 -3.954 -8.752 1.00 50.11 C ATOM 406 C LYS A 29 8.496 -4.720 -7.762 1.00 5.12 C ATOM 407 O LYS A 29 9.426 -4.154 -7.185 1.00 5.24 O ATOM 408 CB LYS A 29 8.320 -3.602 -10.075 1.00 44.24 C ATOM 409 CG LYS A 29 8.908 -4.798 -10.835 1.00 1.13 C ATOM 410 CD LYS A 29 7.853 -5.885 -11.056 1.00 12.14 C ATOM 411 CE LYS A 29 8.171 -6.811 -12.233 1.00 42.42 C ATOM 412 NZ LYS A 29 7.947 -6.145 -13.532 1.00 51.52 N ATOM 0 H LYS A 29 7.856 -1.941 -8.279 1.00 45.41 H new ATOM 0 HA LYS A 29 6.803 -4.617 -9.000 1.00 50.11 H new ATOM 0 HB2 LYS A 29 7.600 -3.099 -10.720 1.00 44.24 H new ATOM 0 HB3 LYS A 29 9.120 -2.889 -9.874 1.00 44.24 H new ATOM 0 HG2 LYS A 29 9.298 -4.465 -11.797 1.00 1.13 H new ATOM 0 HG3 LYS A 29 9.748 -5.211 -10.276 1.00 1.13 H new ATOM 0 HD2 LYS A 29 7.761 -6.482 -10.148 1.00 12.14 H new ATOM 0 HD3 LYS A 29 6.886 -5.413 -11.226 1.00 12.14 H new ATOM 0 HE2 LYS A 29 9.208 -7.139 -12.167 1.00 42.42 H new ATOM 0 HE3 LYS A 29 7.549 -7.704 -12.171 1.00 42.42 H new ATOM 0 HZ1 LYS A 29 8.058 -6.837 -14.301 1.00 51.52 H new ATOM 0 HZ2 LYS A 29 6.985 -5.750 -13.558 1.00 51.52 H new ATOM 0 HZ3 LYS A 29 8.640 -5.379 -13.653 1.00 51.52 H new ATOM 426 N VAL A 30 8.172 -5.992 -7.551 1.00 43.30 N ATOM 427 CA VAL A 30 8.825 -6.857 -6.584 1.00 74.54 C ATOM 428 C VAL A 30 9.058 -8.197 -7.265 1.00 64.44 C ATOM 429 O VAL A 30 8.210 -8.682 -8.027 1.00 44.00 O ATOM 430 CB VAL A 30 7.953 -7.009 -5.319 1.00 31.22 C ATOM 431 CG1 VAL A 30 8.733 -7.661 -4.175 1.00 53.42 C ATOM 432 CG2 VAL A 30 7.411 -5.664 -4.797 1.00 2.34 C ATOM 0 H VAL A 30 7.425 -6.460 -8.065 1.00 43.30 H new ATOM 0 HA VAL A 30 9.775 -6.433 -6.259 1.00 74.54 H new ATOM 0 HB VAL A 30 7.118 -7.639 -5.627 1.00 31.22 H new ATOM 0 HG11 VAL A 30 8.088 -7.752 -3.301 1.00 53.42 H new ATOM 0 HG12 VAL A 30 9.070 -8.651 -4.482 1.00 53.42 H new ATOM 0 HG13 VAL A 30 9.597 -7.045 -3.926 1.00 53.42 H new ATOM 0 HG21 VAL A 30 6.806 -5.836 -3.907 1.00 2.34 H new ATOM 0 HG22 VAL A 30 8.245 -5.008 -4.547 1.00 2.34 H new ATOM 0 HG23 VAL A 30 6.798 -5.195 -5.567 1.00 2.34 H new ATOM 442 N GLU A 31 10.208 -8.794 -6.982 1.00 70.50 N ATOM 443 CA GLU A 31 10.539 -10.122 -7.450 1.00 2.35 C ATOM 444 C GLU A 31 9.937 -11.176 -6.516 1.00 62.31 C ATOM 445 O GLU A 31 9.415 -10.882 -5.436 1.00 30.34 O ATOM 446 CB GLU A 31 12.057 -10.254 -7.580 1.00 4.33 C ATOM 447 CG GLU A 31 12.758 -10.268 -6.224 1.00 34.22 C ATOM 448 CD GLU A 31 14.233 -9.923 -6.387 1.00 73.33 C ATOM 449 OE1 GLU A 31 14.557 -8.728 -6.579 1.00 74.42 O ATOM 450 OE2 GLU A 31 15.070 -10.853 -6.386 1.00 10.11 O ATOM 0 H GLU A 31 10.939 -8.362 -6.417 1.00 70.50 H new ATOM 0 HA GLU A 31 10.108 -10.289 -8.437 1.00 2.35 H new ATOM 0 HB2 GLU A 31 12.294 -11.172 -8.118 1.00 4.33 H new ATOM 0 HB3 GLU A 31 12.441 -9.426 -8.176 1.00 4.33 H new ATOM 0 HG2 GLU A 31 12.282 -9.552 -5.554 1.00 34.22 H new ATOM 0 HG3 GLU A 31 12.656 -11.251 -5.765 1.00 34.22 H new ATOM 457 N ALA A 32 10.053 -12.439 -6.911 1.00 51.14 N ATOM 458 CA ALA A 32 9.406 -13.560 -6.251 1.00 44.11 C ATOM 459 C ALA A 32 9.888 -13.852 -4.823 1.00 11.22 C ATOM 460 O ALA A 32 9.367 -14.777 -4.215 1.00 44.41 O ATOM 461 CB ALA A 32 9.602 -14.775 -7.149 1.00 13.34 C ATOM 0 H ALA A 32 10.613 -12.715 -7.718 1.00 51.14 H new ATOM 0 HA ALA A 32 8.355 -13.304 -6.117 1.00 44.11 H new ATOM 0 HB1 ALA A 32 9.131 -15.645 -6.692 1.00 13.34 H new ATOM 0 HB2 ALA A 32 9.148 -14.585 -8.122 1.00 13.34 H new ATOM 0 HB3 ALA A 32 10.668 -14.965 -7.277 1.00 13.34 H new ATOM 467 N GLU A 33 10.877 -13.135 -4.294 1.00 22.20 N ATOM 468 CA GLU A 33 11.409 -13.255 -2.926 1.00 53.41 C ATOM 469 C GLU A 33 10.547 -12.501 -1.925 1.00 63.21 C ATOM 470 O GLU A 33 10.368 -12.924 -0.785 1.00 61.54 O ATOM 471 CB GLU A 33 12.849 -12.692 -2.932 1.00 50.43 C ATOM 472 CG GLU A 33 13.116 -11.173 -3.038 1.00 11.34 C ATOM 473 CD GLU A 33 13.743 -10.476 -1.824 1.00 14.25 C ATOM 474 OE1 GLU A 33 14.364 -11.135 -0.964 1.00 31.13 O ATOM 475 OE2 GLU A 33 13.764 -9.220 -1.782 1.00 2.41 O ATOM 0 H GLU A 33 11.359 -12.414 -4.832 1.00 22.20 H new ATOM 0 HA GLU A 33 11.405 -14.301 -2.621 1.00 53.41 H new ATOM 0 HB2 GLU A 33 13.329 -13.036 -2.016 1.00 50.43 H new ATOM 0 HB3 GLU A 33 13.372 -13.166 -3.763 1.00 50.43 H new ATOM 0 HG2 GLU A 33 13.768 -11.005 -3.895 1.00 11.34 H new ATOM 0 HG3 GLU A 33 12.169 -10.680 -3.257 1.00 11.34 H new ATOM 482 N GLY A 34 10.034 -11.379 -2.410 1.00 61.21 N ATOM 483 CA GLY A 34 9.602 -10.204 -1.709 1.00 33.13 C ATOM 484 C GLY A 34 10.511 -9.671 -0.601 1.00 12.23 C ATOM 485 O GLY A 34 11.305 -10.391 0.000 1.00 3.14 O ATOM 0 H GLY A 34 9.901 -11.271 -3.415 1.00 61.21 H new ATOM 0 HA2 GLY A 34 9.461 -9.408 -2.441 1.00 33.13 H new ATOM 0 HA3 GLY A 34 8.625 -10.412 -1.272 1.00 33.13 H new ATOM 489 N GLY A 35 10.371 -8.370 -0.355 1.00 42.43 N ATOM 490 CA GLY A 35 11.125 -7.598 0.623 1.00 34.12 C ATOM 491 C GLY A 35 10.205 -6.671 1.417 1.00 23.34 C ATOM 492 O GLY A 35 8.975 -6.808 1.374 1.00 22.45 O ATOM 0 H GLY A 35 9.693 -7.799 -0.860 1.00 42.43 H new ATOM 0 HA2 GLY A 35 11.642 -8.274 1.304 1.00 34.12 H new ATOM 0 HA3 GLY A 35 11.890 -7.010 0.116 1.00 34.12 H new ATOM 496 N SER A 36 10.784 -5.720 2.147 1.00 53.00 N ATOM 497 CA SER A 36 10.078 -4.831 3.057 1.00 22.22 C ATOM 498 C SER A 36 10.192 -3.379 2.608 1.00 44.13 C ATOM 499 O SER A 36 11.183 -2.976 1.991 1.00 2.42 O ATOM 500 CB SER A 36 10.619 -5.049 4.468 1.00 74.10 C ATOM 501 OG SER A 36 11.992 -4.759 4.591 1.00 65.33 O ATOM 0 H SER A 36 11.788 -5.544 2.118 1.00 53.00 H new ATOM 0 HA SER A 36 9.013 -5.063 3.052 1.00 22.22 H new ATOM 0 HB2 SER A 36 10.059 -4.424 5.164 1.00 74.10 H new ATOM 0 HB3 SER A 36 10.446 -6.085 4.759 1.00 74.10 H new ATOM 0 HG SER A 36 12.278 -4.916 5.515 1.00 65.33 H new ATOM 507 N SER A 37 9.204 -2.555 2.953 1.00 32.31 N ATOM 508 CA SER A 37 9.195 -1.144 2.593 1.00 73.31 C ATOM 509 C SER A 37 8.495 -0.336 3.685 1.00 25.33 C ATOM 510 O SER A 37 7.652 -0.865 4.410 1.00 21.53 O ATOM 511 CB SER A 37 8.558 -0.939 1.207 1.00 73.12 C ATOM 512 OG SER A 37 8.052 -2.107 0.588 1.00 65.33 O ATOM 0 H SER A 37 8.388 -2.850 3.490 1.00 32.31 H new ATOM 0 HA SER A 37 10.220 -0.781 2.520 1.00 73.31 H new ATOM 0 HB2 SER A 37 7.745 -0.219 1.303 1.00 73.12 H new ATOM 0 HB3 SER A 37 9.302 -0.493 0.547 1.00 73.12 H new ATOM 0 HG SER A 37 7.668 -1.875 -0.283 1.00 65.33 H new ATOM 518 N LEU A 38 8.839 0.952 3.789 1.00 71.34 N ATOM 519 CA LEU A 38 8.294 1.902 4.756 1.00 61.43 C ATOM 520 C LEU A 38 7.806 3.117 3.981 1.00 61.50 C ATOM 521 O LEU A 38 8.529 3.627 3.121 1.00 41.21 O ATOM 522 CB LEU A 38 9.373 2.298 5.785 1.00 54.21 C ATOM 523 CG LEU A 38 9.058 3.556 6.624 1.00 33.24 C ATOM 524 CD1 LEU A 38 7.826 3.408 7.514 1.00 64.20 C ATOM 525 CD2 LEU A 38 10.252 3.885 7.521 1.00 30.11 C ATOM 0 H LEU A 38 9.534 1.376 3.174 1.00 71.34 H new ATOM 0 HA LEU A 38 7.468 1.457 5.310 1.00 61.43 H new ATOM 0 HB2 LEU A 38 9.529 1.459 6.463 1.00 54.21 H new ATOM 0 HB3 LEU A 38 10.313 2.460 5.257 1.00 54.21 H new ATOM 0 HG LEU A 38 8.855 4.352 5.908 1.00 33.24 H new ATOM 0 HD11 LEU A 38 7.668 4.331 8.073 1.00 64.20 H new ATOM 0 HD12 LEU A 38 6.952 3.204 6.895 1.00 64.20 H new ATOM 0 HD13 LEU A 38 7.977 2.583 8.211 1.00 64.20 H new ATOM 0 HD21 LEU A 38 10.029 4.773 8.113 1.00 30.11 H new ATOM 0 HD22 LEU A 38 10.449 3.045 8.187 1.00 30.11 H new ATOM 0 HD23 LEU A 38 11.130 4.072 6.903 1.00 30.11 H new ATOM 537 N PHE A 39 6.618 3.577 4.341 1.00 12.13 N ATOM 538 CA PHE A 39 5.897 4.731 3.860 1.00 61.40 C ATOM 539 C PHE A 39 5.570 5.538 5.118 1.00 51.20 C ATOM 540 O PHE A 39 4.606 5.241 5.821 1.00 54.14 O ATOM 541 CB PHE A 39 4.650 4.285 3.084 1.00 52.11 C ATOM 542 CG PHE A 39 4.932 3.337 1.940 1.00 65.42 C ATOM 543 CD1 PHE A 39 5.007 1.952 2.182 1.00 4.04 C ATOM 544 CD2 PHE A 39 5.111 3.834 0.636 1.00 44.30 C ATOM 545 CE1 PHE A 39 5.243 1.065 1.123 1.00 62.40 C ATOM 546 CE2 PHE A 39 5.349 2.946 -0.425 1.00 61.41 C ATOM 547 CZ PHE A 39 5.398 1.562 -0.180 1.00 41.14 C ATOM 0 H PHE A 39 6.081 3.091 5.059 1.00 12.13 H new ATOM 0 HA PHE A 39 6.466 5.339 3.157 1.00 61.40 H new ATOM 0 HB2 PHE A 39 3.959 3.804 3.776 1.00 52.11 H new ATOM 0 HB3 PHE A 39 4.146 5.168 2.692 1.00 52.11 H new ATOM 0 HD1 PHE A 39 4.882 1.573 3.185 1.00 4.04 H new ATOM 0 HD2 PHE A 39 5.065 4.897 0.451 1.00 44.30 H new ATOM 0 HE1 PHE A 39 5.305 0.003 1.309 1.00 62.40 H new ATOM 0 HE2 PHE A 39 5.494 3.324 -1.426 1.00 61.41 H new ATOM 0 HZ PHE A 39 5.556 0.877 -1.000 1.00 41.14 H new ATOM 557 N ALA A 40 6.406 6.518 5.468 1.00 4.02 N ATOM 558 CA ALA A 40 6.187 7.359 6.645 1.00 74.12 C ATOM 559 C ALA A 40 5.486 8.633 6.192 1.00 43.01 C ATOM 560 O ALA A 40 6.143 9.520 5.630 1.00 62.13 O ATOM 561 CB ALA A 40 7.500 7.654 7.376 1.00 74.32 C ATOM 0 H ALA A 40 7.251 6.750 4.945 1.00 4.02 H new ATOM 0 HA ALA A 40 5.557 6.836 7.364 1.00 74.12 H new ATOM 0 HB1 ALA A 40 7.300 8.281 8.245 1.00 74.32 H new ATOM 0 HB2 ALA A 40 7.954 6.718 7.701 1.00 74.32 H new ATOM 0 HB3 ALA A 40 8.182 8.174 6.703 1.00 74.32 H new ATOM 567 N CYS A 41 4.170 8.722 6.385 1.00 43.41 N ATOM 568 CA CYS A 41 3.378 9.843 5.908 1.00 12.25 C ATOM 569 C CYS A 41 3.775 11.071 6.719 1.00 70.24 C ATOM 570 O CYS A 41 3.696 11.030 7.947 1.00 65.43 O ATOM 571 CB CYS A 41 1.887 9.554 6.066 1.00 1.42 C ATOM 572 SG CYS A 41 1.009 10.869 5.195 1.00 31.25 S ATOM 0 H CYS A 41 3.627 8.014 6.879 1.00 43.41 H new ATOM 0 HA CYS A 41 3.566 10.014 4.848 1.00 12.25 H new ATOM 0 HB2 CYS A 41 1.635 8.579 5.649 1.00 1.42 H new ATOM 0 HB3 CYS A 41 1.606 9.533 7.119 1.00 1.42 H new ATOM 0 HG CYS A 41 1.836 11.501 4.416 1.00 31.25 H new ATOM 578 N LYS A 42 4.258 12.151 6.095 1.00 13.32 N ATOM 579 CA LYS A 42 4.731 13.274 6.894 1.00 21.54 C ATOM 580 C LYS A 42 3.578 14.183 7.315 1.00 21.35 C ATOM 581 O LYS A 42 3.716 14.907 8.302 1.00 51.10 O ATOM 582 CB LYS A 42 5.833 14.025 6.152 1.00 2.31 C ATOM 583 CG LYS A 42 6.732 14.896 7.050 1.00 71.31 C ATOM 584 CD LYS A 42 7.590 14.135 8.076 1.00 25.44 C ATOM 585 CE LYS A 42 6.880 13.794 9.402 1.00 13.35 C ATOM 586 NZ LYS A 42 7.200 12.441 9.921 1.00 42.41 N ATOM 0 H LYS A 42 4.329 12.266 5.084 1.00 13.32 H new ATOM 0 HA LYS A 42 5.165 12.889 7.817 1.00 21.54 H new ATOM 0 HB2 LYS A 42 6.457 13.302 5.627 1.00 2.31 H new ATOM 0 HB3 LYS A 42 5.375 14.660 5.394 1.00 2.31 H new ATOM 0 HG2 LYS A 42 7.395 15.480 6.411 1.00 71.31 H new ATOM 0 HG3 LYS A 42 6.101 15.604 7.586 1.00 71.31 H new ATOM 0 HD2 LYS A 42 7.937 13.208 7.619 1.00 25.44 H new ATOM 0 HD3 LYS A 42 8.475 14.731 8.299 1.00 25.44 H new ATOM 0 HE2 LYS A 42 7.155 14.535 10.152 1.00 13.35 H new ATOM 0 HE3 LYS A 42 5.802 13.872 9.257 1.00 13.35 H new ATOM 0 HZ1 LYS A 42 6.689 12.281 10.812 1.00 42.41 H new ATOM 0 HZ2 LYS A 42 6.913 11.725 9.224 1.00 42.41 H new ATOM 0 HZ3 LYS A 42 8.223 12.367 10.091 1.00 42.41 H new ATOM 600 N ASN A 43 2.450 14.157 6.598 1.00 71.43 N ATOM 601 CA ASN A 43 1.414 15.184 6.669 1.00 5.33 C ATOM 602 C ASN A 43 0.060 14.611 7.072 1.00 41.42 C ATOM 603 O ASN A 43 -0.889 15.375 7.209 1.00 50.30 O ATOM 604 CB ASN A 43 1.317 15.966 5.347 1.00 11.35 C ATOM 605 CG ASN A 43 0.661 15.185 4.211 1.00 64.52 C ATOM 606 OD1 ASN A 43 0.741 13.964 4.174 1.00 30.33 O ATOM 607 ND2 ASN A 43 0.084 15.855 3.227 1.00 44.41 N ATOM 0 H ASN A 43 2.231 13.408 5.942 1.00 71.43 H new ATOM 0 HA ASN A 43 1.709 15.881 7.454 1.00 5.33 H new ATOM 0 HB2 ASN A 43 0.751 16.882 5.519 1.00 11.35 H new ATOM 0 HB3 ASN A 43 2.319 16.264 5.038 1.00 11.35 H new ATOM 0 HD21 ASN A 43 -0.300 15.354 2.426 1.00 44.41 H new ATOM 0 HD22 ASN A 43 0.024 16.872 3.270 1.00 44.41 H new ATOM 614 N TYR A 44 -0.035 13.313 7.345 1.00 43.33 N ATOM 615 CA TYR A 44 -1.201 12.673 7.924 1.00 51.13 C ATOM 616 C TYR A 44 -0.689 11.605 8.894 1.00 54.11 C ATOM 617 O TYR A 44 0.330 10.975 8.616 1.00 52.14 O ATOM 618 CB TYR A 44 -2.049 12.069 6.799 1.00 51.13 C ATOM 619 CG TYR A 44 -2.885 13.063 6.007 1.00 70.52 C ATOM 620 CD1 TYR A 44 -4.093 13.525 6.551 1.00 43.03 C ATOM 621 CD2 TYR A 44 -2.501 13.482 4.715 1.00 24.44 C ATOM 622 CE1 TYR A 44 -4.924 14.368 5.801 1.00 11.31 C ATOM 623 CE2 TYR A 44 -3.324 14.341 3.955 1.00 51.01 C ATOM 624 CZ TYR A 44 -4.566 14.765 4.496 1.00 11.43 C ATOM 625 OH TYR A 44 -5.406 15.586 3.802 1.00 72.13 O ATOM 0 H TYR A 44 0.726 12.660 7.161 1.00 43.33 H new ATOM 0 HA TYR A 44 -1.834 13.377 8.464 1.00 51.13 H new ATOM 0 HB2 TYR A 44 -1.387 11.546 6.109 1.00 51.13 H new ATOM 0 HB3 TYR A 44 -2.715 11.322 7.230 1.00 51.13 H new ATOM 0 HD1 TYR A 44 -4.383 13.231 7.549 1.00 43.03 H new ATOM 0 HD2 TYR A 44 -1.564 13.140 4.302 1.00 24.44 H new ATOM 0 HE1 TYR A 44 -5.852 14.719 6.228 1.00 11.31 H new ATOM 0 HE2 TYR A 44 -3.013 14.671 2.975 1.00 51.01 H new ATOM 0 HH TYR A 44 -5.025 15.773 2.919 1.00 72.13 H new ATOM 635 N LYS A 45 -1.347 11.430 10.044 1.00 33.55 N ATOM 636 CA LYS A 45 -0.970 10.498 11.114 1.00 23.51 C ATOM 637 C LYS A 45 -2.142 9.658 11.619 1.00 41.00 C ATOM 638 O LYS A 45 -2.012 8.887 12.568 1.00 1.34 O ATOM 639 CB LYS A 45 -0.322 11.285 12.267 1.00 31.42 C ATOM 640 CG LYS A 45 1.037 11.871 11.862 1.00 65.20 C ATOM 641 CD LYS A 45 1.006 13.377 11.610 1.00 74.42 C ATOM 642 CE LYS A 45 2.353 13.858 11.071 1.00 24.34 C ATOM 643 NZ LYS A 45 2.349 15.308 10.796 1.00 53.10 N ATOM 0 H LYS A 45 -2.193 11.956 10.265 1.00 33.55 H new ATOM 0 HA LYS A 45 -0.254 9.790 10.697 1.00 23.51 H new ATOM 0 HB2 LYS A 45 -0.988 12.091 12.577 1.00 31.42 H new ATOM 0 HB3 LYS A 45 -0.193 10.629 13.128 1.00 31.42 H new ATOM 0 HG2 LYS A 45 1.763 11.658 12.647 1.00 65.20 H new ATOM 0 HG3 LYS A 45 1.385 11.368 10.960 1.00 65.20 H new ATOM 0 HD2 LYS A 45 0.216 13.616 10.898 1.00 74.42 H new ATOM 0 HD3 LYS A 45 0.770 13.902 12.536 1.00 74.42 H new ATOM 0 HE2 LYS A 45 3.136 13.627 11.793 1.00 24.34 H new ATOM 0 HE3 LYS A 45 2.593 13.316 10.156 1.00 24.34 H new ATOM 0 HZ1 LYS A 45 2.807 15.489 9.880 1.00 53.10 H new ATOM 0 HZ2 LYS A 45 1.368 15.653 10.767 1.00 53.10 H new ATOM 0 HZ3 LYS A 45 2.869 15.805 11.547 1.00 53.10 H new ATOM 657 N SER A 46 -3.279 9.815 10.966 1.00 3.03 N ATOM 658 CA SER A 46 -4.553 9.228 11.323 1.00 30.24 C ATOM 659 C SER A 46 -5.171 8.679 10.044 1.00 61.20 C ATOM 660 O SER A 46 -5.921 9.374 9.351 1.00 14.05 O ATOM 661 CB SER A 46 -5.417 10.264 12.056 1.00 11.01 C ATOM 662 OG SER A 46 -5.105 11.611 11.713 1.00 5.35 O ATOM 0 H SER A 46 -3.339 10.389 10.125 1.00 3.03 H new ATOM 0 HA SER A 46 -4.451 8.400 12.024 1.00 30.24 H new ATOM 0 HB2 SER A 46 -6.467 10.074 11.831 1.00 11.01 H new ATOM 0 HB3 SER A 46 -5.293 10.133 13.131 1.00 11.01 H new ATOM 0 HG SER A 46 -5.690 12.219 12.211 1.00 5.35 H new ATOM 668 N PHE A 47 -4.762 7.463 9.682 1.00 3.11 N ATOM 669 CA PHE A 47 -5.241 6.753 8.510 1.00 53.11 C ATOM 670 C PHE A 47 -5.281 5.255 8.801 1.00 45.21 C ATOM 671 O PHE A 47 -4.687 4.802 9.786 1.00 2.11 O ATOM 672 CB PHE A 47 -4.359 7.077 7.301 1.00 14.14 C ATOM 673 CG PHE A 47 -2.923 6.600 7.308 1.00 42.34 C ATOM 674 CD1 PHE A 47 -2.620 5.322 6.805 1.00 12.14 C ATOM 675 CD2 PHE A 47 -1.880 7.465 7.689 1.00 62.13 C ATOM 676 CE1 PHE A 47 -1.289 4.891 6.725 1.00 23.44 C ATOM 677 CE2 PHE A 47 -0.544 7.039 7.589 1.00 44.02 C ATOM 678 CZ PHE A 47 -0.247 5.742 7.134 1.00 70.22 C ATOM 0 H PHE A 47 -4.070 6.936 10.214 1.00 3.11 H new ATOM 0 HA PHE A 47 -6.254 7.076 8.270 1.00 53.11 H new ATOM 0 HB2 PHE A 47 -4.842 6.661 6.417 1.00 14.14 H new ATOM 0 HB3 PHE A 47 -4.348 8.160 7.179 1.00 14.14 H new ATOM 0 HD1 PHE A 47 -3.417 4.670 6.479 1.00 12.14 H new ATOM 0 HD2 PHE A 47 -2.106 8.455 8.058 1.00 62.13 H new ATOM 0 HE1 PHE A 47 -1.063 3.904 6.349 1.00 23.44 H new ATOM 0 HE2 PHE A 47 0.257 7.710 7.863 1.00 44.02 H new ATOM 0 HZ PHE A 47 0.777 5.401 7.099 1.00 70.22 H new ATOM 688 N TRP A 48 -5.985 4.499 7.963 1.00 50.04 N ATOM 689 CA TRP A 48 -6.236 3.073 8.115 1.00 33.12 C ATOM 690 C TRP A 48 -6.327 2.416 6.751 1.00 41.44 C ATOM 691 O TRP A 48 -6.480 3.080 5.724 1.00 54.33 O ATOM 692 CB TRP A 48 -7.532 2.844 8.908 1.00 53.22 C ATOM 693 CG TRP A 48 -8.755 3.535 8.407 1.00 63.54 C ATOM 694 CD1 TRP A 48 -9.690 2.981 7.601 1.00 54.33 C ATOM 695 CD2 TRP A 48 -9.172 4.910 8.634 1.00 72.11 C ATOM 696 NE1 TRP A 48 -10.658 3.918 7.312 1.00 61.54 N ATOM 697 CE2 TRP A 48 -10.394 5.115 7.938 1.00 61.32 C ATOM 698 CE3 TRP A 48 -8.643 6.008 9.347 1.00 34.12 C ATOM 699 CZ2 TRP A 48 -11.057 6.341 7.957 1.00 30.12 C ATOM 700 CZ3 TRP A 48 -9.261 7.271 9.304 1.00 51.04 C ATOM 701 CH2 TRP A 48 -10.475 7.436 8.610 1.00 32.43 C ATOM 0 H TRP A 48 -6.415 4.884 7.122 1.00 50.04 H new ATOM 0 HA TRP A 48 -5.410 2.624 8.666 1.00 33.12 H new ATOM 0 HB2 TRP A 48 -7.732 1.773 8.931 1.00 53.22 H new ATOM 0 HB3 TRP A 48 -7.361 3.159 9.937 1.00 53.22 H new ATOM 0 HD1 TRP A 48 -9.679 1.963 7.240 1.00 54.33 H new ATOM 0 HE1 TRP A 48 -11.465 3.747 6.712 1.00 61.54 H new ATOM 0 HE3 TRP A 48 -7.748 5.876 9.936 1.00 34.12 H new ATOM 0 HZ2 TRP A 48 -12.015 6.447 7.470 1.00 30.12 H new ATOM 0 HZ3 TRP A 48 -8.805 8.113 9.803 1.00 51.04 H new ATOM 0 HH2 TRP A 48 -10.956 8.403 8.581 1.00 32.43 H new ATOM 712 N ILE A 49 -6.215 1.094 6.782 1.00 34.44 N ATOM 713 CA ILE A 49 -6.374 0.190 5.665 1.00 5.43 C ATOM 714 C ILE A 49 -7.861 0.205 5.347 1.00 62.41 C ATOM 715 O ILE A 49 -8.662 -0.080 6.238 1.00 21.33 O ATOM 716 CB ILE A 49 -5.868 -1.211 6.057 1.00 51.43 C ATOM 717 CG1 ILE A 49 -4.435 -1.143 6.647 1.00 34.42 C ATOM 718 CG2 ILE A 49 -5.974 -2.156 4.843 1.00 50.33 C ATOM 719 CD1 ILE A 49 -3.336 -0.792 5.644 1.00 70.11 C ATOM 0 H ILE A 49 -5.996 0.599 7.647 1.00 34.44 H new ATOM 0 HA ILE A 49 -5.796 0.484 4.789 1.00 5.43 H new ATOM 0 HB ILE A 49 -6.498 -1.618 6.848 1.00 51.43 H new ATOM 0 HG12 ILE A 49 -4.424 -0.404 7.448 1.00 34.42 H new ATOM 0 HG13 ILE A 49 -4.199 -2.106 7.099 1.00 34.42 H new ATOM 0 HG21 ILE A 49 -5.616 -3.147 5.121 1.00 50.33 H new ATOM 0 HG22 ILE A 49 -7.014 -2.222 4.523 1.00 50.33 H new ATOM 0 HG23 ILE A 49 -5.367 -1.767 4.025 1.00 50.33 H new ATOM 0 HD11 ILE A 49 -2.372 -0.769 6.153 1.00 70.11 H new ATOM 0 HD12 ILE A 49 -3.311 -1.542 4.854 1.00 70.11 H new ATOM 0 HD13 ILE A 49 -3.540 0.186 5.209 1.00 70.11 H new ATOM 731 N SER A 50 -8.225 0.566 4.118 1.00 1.12 N ATOM 732 CA SER A 50 -9.617 0.740 3.739 1.00 74.41 C ATOM 733 C SER A 50 -9.975 -0.070 2.486 1.00 21.20 C ATOM 734 O SER A 50 -11.153 -0.376 2.288 1.00 73.42 O ATOM 735 CB SER A 50 -9.913 2.246 3.654 1.00 42.43 C ATOM 736 OG SER A 50 -11.301 2.501 3.670 1.00 2.00 O ATOM 0 H SER A 50 -7.563 0.744 3.363 1.00 1.12 H new ATOM 0 HA SER A 50 -10.279 0.327 4.500 1.00 74.41 H new ATOM 0 HB2 SER A 50 -9.438 2.759 4.490 1.00 42.43 H new ATOM 0 HB3 SER A 50 -9.478 2.653 2.741 1.00 42.43 H new ATOM 0 HG SER A 50 -11.455 3.466 3.743 1.00 2.00 H new ATOM 742 N SER A 51 -9.014 -0.535 1.679 1.00 65.53 N ATOM 743 CA SER A 51 -9.251 -1.612 0.716 1.00 41.13 C ATOM 744 C SER A 51 -7.967 -2.408 0.476 1.00 50.05 C ATOM 745 O SER A 51 -6.861 -1.910 0.712 1.00 13.24 O ATOM 746 CB SER A 51 -9.809 -1.059 -0.606 1.00 41.42 C ATOM 747 OG SER A 51 -10.976 -0.286 -0.385 1.00 64.41 O ATOM 0 H SER A 51 -8.059 -0.178 1.676 1.00 65.53 H new ATOM 0 HA SER A 51 -9.998 -2.285 1.136 1.00 41.13 H new ATOM 0 HB2 SER A 51 -9.052 -0.447 -1.096 1.00 41.42 H new ATOM 0 HB3 SER A 51 -10.038 -1.884 -1.281 1.00 41.42 H new ATOM 0 HG SER A 51 -11.351 -0.503 0.494 1.00 64.41 H new ATOM 753 N VAL A 52 -8.113 -3.636 -0.020 1.00 14.20 N ATOM 754 CA VAL A 52 -7.031 -4.542 -0.371 1.00 2.03 C ATOM 755 C VAL A 52 -7.480 -5.446 -1.530 1.00 62.52 C ATOM 756 O VAL A 52 -8.664 -5.741 -1.698 1.00 5.03 O ATOM 757 CB VAL A 52 -6.589 -5.320 0.896 1.00 2.04 C ATOM 758 CG1 VAL A 52 -7.747 -6.034 1.606 1.00 30.41 C ATOM 759 CG2 VAL A 52 -5.494 -6.357 0.622 1.00 50.02 C ATOM 0 H VAL A 52 -9.033 -4.041 -0.194 1.00 14.20 H new ATOM 0 HA VAL A 52 -6.155 -3.998 -0.725 1.00 2.03 H new ATOM 0 HB VAL A 52 -6.193 -4.540 1.546 1.00 2.04 H new ATOM 0 HG11 VAL A 52 -7.368 -6.558 2.483 1.00 30.41 H new ATOM 0 HG12 VAL A 52 -8.492 -5.301 1.915 1.00 30.41 H new ATOM 0 HG13 VAL A 52 -8.205 -6.751 0.925 1.00 30.41 H new ATOM 0 HG21 VAL A 52 -5.232 -6.864 1.551 1.00 50.02 H new ATOM 0 HG22 VAL A 52 -5.858 -7.088 -0.100 1.00 50.02 H new ATOM 0 HG23 VAL A 52 -4.612 -5.858 0.221 1.00 50.02 H new ATOM 769 N LYS A 53 -6.524 -5.941 -2.317 1.00 54.03 N ATOM 770 CA LYS A 53 -6.704 -7.077 -3.220 1.00 62.22 C ATOM 771 C LYS A 53 -5.439 -7.914 -3.160 1.00 2.12 C ATOM 772 O LYS A 53 -4.407 -7.377 -2.768 1.00 10.13 O ATOM 773 CB LYS A 53 -7.005 -6.586 -4.646 1.00 25.14 C ATOM 774 CG LYS A 53 -5.803 -6.040 -5.425 1.00 30.43 C ATOM 775 CD LYS A 53 -6.279 -5.344 -6.707 1.00 72.25 C ATOM 776 CE LYS A 53 -6.958 -4.000 -6.405 1.00 50.43 C ATOM 777 NZ LYS A 53 -6.532 -2.934 -7.330 1.00 65.01 N ATOM 0 H LYS A 53 -5.581 -5.554 -2.344 1.00 54.03 H new ATOM 0 HA LYS A 53 -7.555 -7.687 -2.918 1.00 62.22 H new ATOM 0 HB2 LYS A 53 -7.438 -7.411 -5.212 1.00 25.14 H new ATOM 0 HB3 LYS A 53 -7.764 -5.806 -4.590 1.00 25.14 H new ATOM 0 HG2 LYS A 53 -5.247 -5.337 -4.805 1.00 30.43 H new ATOM 0 HG3 LYS A 53 -5.122 -6.853 -5.675 1.00 30.43 H new ATOM 0 HD2 LYS A 53 -5.429 -5.182 -7.370 1.00 72.25 H new ATOM 0 HD3 LYS A 53 -6.976 -5.993 -7.236 1.00 72.25 H new ATOM 0 HE2 LYS A 53 -8.040 -4.120 -6.467 1.00 50.43 H new ATOM 0 HE3 LYS A 53 -6.729 -3.702 -5.382 1.00 50.43 H new ATOM 0 HZ1 LYS A 53 -7.114 -2.086 -7.174 1.00 65.01 H new ATOM 0 HZ2 LYS A 53 -5.532 -2.704 -7.158 1.00 65.01 H new ATOM 0 HZ3 LYS A 53 -6.649 -3.259 -8.311 1.00 65.01 H new ATOM 791 N GLU A 54 -5.491 -9.171 -3.591 1.00 32.40 N ATOM 792 CA GLU A 54 -4.352 -10.097 -3.609 1.00 43.05 C ATOM 793 C GLU A 54 -4.326 -10.976 -4.877 1.00 70.42 C ATOM 794 O GLU A 54 -3.353 -11.668 -5.185 1.00 32.11 O ATOM 795 CB GLU A 54 -4.354 -10.951 -2.317 1.00 45.24 C ATOM 796 CG GLU A 54 -5.393 -12.093 -2.206 1.00 34.23 C ATOM 797 CD GLU A 54 -6.853 -11.646 -2.015 1.00 25.34 C ATOM 798 OE1 GLU A 54 -7.423 -11.042 -2.949 1.00 62.32 O ATOM 799 OE2 GLU A 54 -7.466 -11.936 -0.961 1.00 72.22 O ATOM 0 H GLU A 54 -6.349 -9.590 -3.949 1.00 32.40 H new ATOM 0 HA GLU A 54 -3.436 -9.507 -3.639 1.00 43.05 H new ATOM 0 HB2 GLU A 54 -3.362 -11.389 -2.204 1.00 45.24 H new ATOM 0 HB3 GLU A 54 -4.504 -10.279 -1.472 1.00 45.24 H new ATOM 0 HG2 GLU A 54 -5.333 -12.703 -3.107 1.00 34.23 H new ATOM 0 HG3 GLU A 54 -5.115 -12.733 -1.369 1.00 34.23 H new ATOM 806 N GLU A 55 -5.409 -10.937 -5.643 1.00 11.30 N ATOM 807 CA GLU A 55 -5.765 -11.783 -6.775 1.00 14.43 C ATOM 808 C GLU A 55 -6.325 -10.956 -7.934 1.00 53.14 C ATOM 809 O GLU A 55 -6.612 -11.513 -8.995 1.00 32.02 O ATOM 810 CB GLU A 55 -6.776 -12.848 -6.332 1.00 12.41 C ATOM 811 CG GLU A 55 -6.160 -14.237 -6.373 1.00 10.20 C ATOM 812 CD GLU A 55 -7.170 -15.308 -5.958 1.00 1.30 C ATOM 813 OE1 GLU A 55 -7.921 -15.107 -4.974 1.00 5.44 O ATOM 814 OE2 GLU A 55 -7.185 -16.381 -6.602 1.00 5.41 O ATOM 0 H GLU A 55 -6.134 -10.241 -5.469 1.00 11.30 H new ATOM 0 HA GLU A 55 -4.861 -12.277 -7.132 1.00 14.43 H new ATOM 0 HB2 GLU A 55 -7.120 -12.629 -5.321 1.00 12.41 H new ATOM 0 HB3 GLU A 55 -7.651 -12.815 -6.981 1.00 12.41 H new ATOM 0 HG2 GLU A 55 -5.798 -14.447 -7.380 1.00 10.20 H new ATOM 0 HG3 GLU A 55 -5.296 -14.273 -5.710 1.00 10.20 H new ATOM 821 N GLY A 56 -6.444 -9.637 -7.766 1.00 21.30 N ATOM 822 CA GLY A 56 -6.931 -8.712 -8.781 1.00 14.23 C ATOM 823 C GLY A 56 -8.373 -8.249 -8.556 1.00 50.55 C ATOM 824 O GLY A 56 -8.846 -7.428 -9.340 1.00 13.50 O ATOM 0 H GLY A 56 -6.196 -9.173 -6.892 1.00 21.30 H new ATOM 0 HA2 GLY A 56 -6.279 -7.839 -8.806 1.00 14.23 H new ATOM 0 HA3 GLY A 56 -6.861 -9.190 -9.758 1.00 14.23 H new ATOM 828 N LYS A 57 -9.053 -8.700 -7.495 1.00 74.24 N ATOM 829 CA LYS A 57 -10.437 -8.340 -7.139 1.00 72.34 C ATOM 830 C LYS A 57 -10.528 -7.983 -5.659 1.00 63.22 C ATOM 831 O LYS A 57 -9.621 -8.291 -4.892 1.00 53.23 O ATOM 832 CB LYS A 57 -11.431 -9.457 -7.536 1.00 74.13 C ATOM 833 CG LYS A 57 -10.994 -10.911 -7.273 1.00 22.40 C ATOM 834 CD LYS A 57 -11.045 -11.430 -5.821 1.00 32.24 C ATOM 835 CE LYS A 57 -10.063 -12.610 -5.768 1.00 65.51 C ATOM 836 NZ LYS A 57 -10.210 -13.536 -4.630 1.00 30.10 N ATOM 0 H LYS A 57 -8.639 -9.354 -6.831 1.00 74.24 H new ATOM 0 HA LYS A 57 -10.723 -7.456 -7.709 1.00 72.34 H new ATOM 0 HB2 LYS A 57 -12.366 -9.283 -7.003 1.00 74.13 H new ATOM 0 HB3 LYS A 57 -11.647 -9.356 -8.600 1.00 74.13 H new ATOM 0 HG2 LYS A 57 -11.619 -11.563 -7.883 1.00 22.40 H new ATOM 0 HG3 LYS A 57 -9.971 -11.023 -7.632 1.00 22.40 H new ATOM 0 HD2 LYS A 57 -10.758 -10.650 -5.116 1.00 32.24 H new ATOM 0 HD3 LYS A 57 -12.053 -11.747 -5.553 1.00 32.24 H new ATOM 0 HE2 LYS A 57 -10.167 -13.183 -6.690 1.00 65.51 H new ATOM 0 HE3 LYS A 57 -9.049 -12.210 -5.754 1.00 65.51 H new ATOM 0 HZ1 LYS A 57 -9.464 -14.260 -4.673 1.00 30.10 H new ATOM 0 HZ2 LYS A 57 -10.128 -13.006 -3.739 1.00 30.10 H new ATOM 0 HZ3 LYS A 57 -11.142 -13.996 -4.675 1.00 30.10 H new ATOM 850 N PHE A 58 -11.580 -7.316 -5.223 1.00 43.05 N ATOM 851 CA PHE A 58 -11.652 -6.894 -3.834 1.00 13.21 C ATOM 852 C PHE A 58 -12.036 -8.069 -2.937 1.00 13.20 C ATOM 853 O PHE A 58 -12.676 -9.032 -3.376 1.00 23.14 O ATOM 854 CB PHE A 58 -12.622 -5.723 -3.707 1.00 50.41 C ATOM 855 CG PHE A 58 -12.004 -4.365 -3.995 1.00 41.34 C ATOM 856 CD1 PHE A 58 -10.995 -4.161 -4.970 1.00 1.42 C ATOM 857 CD2 PHE A 58 -12.427 -3.284 -3.207 1.00 4.33 C ATOM 858 CE1 PHE A 58 -10.432 -2.883 -5.138 1.00 61.44 C ATOM 859 CE2 PHE A 58 -11.838 -2.024 -3.355 1.00 50.15 C ATOM 860 CZ PHE A 58 -10.843 -1.816 -4.323 1.00 71.21 C ATOM 0 H PHE A 58 -12.383 -7.058 -5.796 1.00 43.05 H new ATOM 0 HA PHE A 58 -10.672 -6.552 -3.500 1.00 13.21 H new ATOM 0 HB2 PHE A 58 -13.456 -5.882 -4.390 1.00 50.41 H new ATOM 0 HB3 PHE A 58 -13.034 -5.715 -2.698 1.00 50.41 H new ATOM 0 HD1 PHE A 58 -10.659 -4.985 -5.582 1.00 1.42 H new ATOM 0 HD2 PHE A 58 -13.213 -3.426 -2.481 1.00 4.33 H new ATOM 0 HE1 PHE A 58 -9.681 -2.722 -5.897 1.00 61.44 H new ATOM 0 HE2 PHE A 58 -12.150 -1.207 -2.721 1.00 50.15 H new ATOM 0 HZ PHE A 58 -10.396 -0.840 -4.440 1.00 71.21 H new ATOM 870 N LYS A 59 -11.656 -7.962 -1.667 1.00 63.42 N ATOM 871 CA LYS A 59 -12.107 -8.797 -0.559 1.00 65.24 C ATOM 872 C LYS A 59 -12.710 -7.891 0.512 1.00 34.41 C ATOM 873 O LYS A 59 -13.181 -6.791 0.224 1.00 33.34 O ATOM 874 CB LYS A 59 -10.973 -9.730 -0.091 1.00 14.22 C ATOM 875 CG LYS A 59 -9.774 -8.982 0.501 1.00 43.05 C ATOM 876 CD LYS A 59 -8.928 -9.789 1.494 1.00 74.21 C ATOM 877 CE LYS A 59 -9.624 -10.272 2.782 1.00 52.32 C ATOM 878 NZ LYS A 59 -10.195 -11.636 2.690 1.00 54.31 N ATOM 0 H LYS A 59 -10.989 -7.251 -1.367 1.00 63.42 H new ATOM 0 HA LYS A 59 -12.901 -9.481 -0.859 1.00 65.24 H new ATOM 0 HB2 LYS A 59 -11.366 -10.420 0.656 1.00 14.22 H new ATOM 0 HB3 LYS A 59 -10.636 -10.331 -0.935 1.00 14.22 H new ATOM 0 HG2 LYS A 59 -9.132 -8.653 -0.316 1.00 43.05 H new ATOM 0 HG3 LYS A 59 -10.137 -8.085 1.002 1.00 43.05 H new ATOM 0 HD2 LYS A 59 -8.537 -10.663 0.973 1.00 74.21 H new ATOM 0 HD3 LYS A 59 -8.071 -9.180 1.781 1.00 74.21 H new ATOM 0 HE2 LYS A 59 -8.906 -10.246 3.601 1.00 52.32 H new ATOM 0 HE3 LYS A 59 -10.421 -9.573 3.035 1.00 52.32 H new ATOM 0 HZ1 LYS A 59 -11.164 -11.633 3.068 1.00 54.31 H new ATOM 0 HZ2 LYS A 59 -10.212 -11.939 1.695 1.00 54.31 H new ATOM 0 HZ3 LYS A 59 -9.610 -12.295 3.242 1.00 54.31 H new ATOM 892 N GLU A 60 -12.791 -8.409 1.724 1.00 1.43 N ATOM 893 CA GLU A 60 -13.260 -7.718 2.912 1.00 64.34 C ATOM 894 C GLU A 60 -12.066 -6.997 3.566 1.00 30.30 C ATOM 895 O GLU A 60 -10.926 -7.108 3.108 1.00 30.42 O ATOM 896 CB GLU A 60 -13.865 -8.809 3.807 1.00 12.40 C ATOM 897 CG GLU A 60 -15.224 -9.315 3.336 1.00 14.31 C ATOM 898 CD GLU A 60 -16.415 -8.801 4.148 1.00 1.02 C ATOM 899 OE1 GLU A 60 -16.614 -7.573 4.267 1.00 70.54 O ATOM 900 OE2 GLU A 60 -17.230 -9.637 4.607 1.00 70.45 O ATOM 0 H GLU A 60 -12.517 -9.373 1.916 1.00 1.43 H new ATOM 0 HA GLU A 60 -14.010 -6.953 2.710 1.00 64.34 H new ATOM 0 HB2 GLU A 60 -13.173 -9.650 3.856 1.00 12.40 H new ATOM 0 HB3 GLU A 60 -13.965 -8.419 4.820 1.00 12.40 H new ATOM 0 HG2 GLU A 60 -15.362 -9.028 2.293 1.00 14.31 H new ATOM 0 HG3 GLU A 60 -15.222 -10.404 3.369 1.00 14.31 H new ATOM 907 N ASN A 61 -12.301 -6.222 4.620 1.00 13.03 N ATOM 908 CA ASN A 61 -11.294 -5.763 5.572 1.00 22.52 C ATOM 909 C ASN A 61 -11.625 -6.466 6.886 1.00 2.12 C ATOM 910 O ASN A 61 -12.740 -6.965 7.067 1.00 71.53 O ATOM 911 CB ASN A 61 -11.364 -4.232 5.731 1.00 23.12 C ATOM 912 CG ASN A 61 -10.357 -3.726 6.758 1.00 73.44 C ATOM 913 OD1 ASN A 61 -10.632 -3.635 7.945 1.00 14.00 O ATOM 914 ND2 ASN A 61 -9.120 -3.500 6.368 1.00 2.00 N ATOM 0 H ASN A 61 -13.236 -5.882 4.844 1.00 13.03 H new ATOM 0 HA ASN A 61 -10.282 -5.995 5.241 1.00 22.52 H new ATOM 0 HB2 ASN A 61 -11.173 -3.757 4.769 1.00 23.12 H new ATOM 0 HB3 ASN A 61 -12.370 -3.943 6.035 1.00 23.12 H new ATOM 0 HD21 ASN A 61 -8.406 -3.253 7.053 1.00 2.00 H new ATOM 0 HD22 ASN A 61 -8.875 -3.572 5.380 1.00 2.00 H new ATOM 921 N THR A 62 -10.665 -6.549 7.801 1.00 5.31 N ATOM 922 CA THR A 62 -10.883 -7.230 9.070 1.00 2.24 C ATOM 923 C THR A 62 -10.142 -6.517 10.215 1.00 21.33 C ATOM 924 O THR A 62 -10.247 -6.905 11.381 1.00 51.43 O ATOM 925 CB THR A 62 -10.475 -8.696 8.829 1.00 3.21 C ATOM 926 OG1 THR A 62 -11.154 -9.595 9.673 1.00 72.53 O ATOM 927 CG2 THR A 62 -8.972 -8.914 8.960 1.00 2.42 C ATOM 0 H THR A 62 -9.731 -6.154 7.687 1.00 5.31 H new ATOM 0 HA THR A 62 -11.922 -7.206 9.399 1.00 2.24 H new ATOM 0 HB THR A 62 -10.767 -8.904 7.800 1.00 3.21 H new ATOM 0 HG1 THR A 62 -10.861 -10.510 9.480 1.00 72.53 H new ATOM 0 HG21 THR A 62 -8.740 -9.964 8.781 1.00 2.42 H new ATOM 0 HG22 THR A 62 -8.450 -8.297 8.229 1.00 2.42 H new ATOM 0 HG23 THR A 62 -8.650 -8.638 9.964 1.00 2.42 H new ATOM 935 N SER A 63 -9.382 -5.469 9.899 1.00 51.25 N ATOM 936 CA SER A 63 -8.434 -4.811 10.776 1.00 53.35 C ATOM 937 C SER A 63 -7.995 -3.533 10.072 1.00 53.42 C ATOM 938 O SER A 63 -7.683 -3.538 8.879 1.00 71.43 O ATOM 939 CB SER A 63 -7.263 -5.772 11.032 1.00 50.42 C ATOM 940 OG SER A 63 -6.192 -5.204 11.764 1.00 43.42 O ATOM 0 H SER A 63 -9.418 -5.039 8.975 1.00 51.25 H new ATOM 0 HA SER A 63 -8.860 -4.552 11.745 1.00 53.35 H new ATOM 0 HB2 SER A 63 -7.635 -6.643 11.571 1.00 50.42 H new ATOM 0 HB3 SER A 63 -6.884 -6.128 10.074 1.00 50.42 H new ATOM 0 HG SER A 63 -5.564 -5.909 12.025 1.00 43.42 H new ATOM 946 N TYR A 64 -7.930 -2.433 10.812 1.00 32.30 N ATOM 947 CA TYR A 64 -7.731 -1.110 10.233 1.00 53.35 C ATOM 948 C TYR A 64 -6.265 -0.705 10.132 1.00 54.31 C ATOM 949 O TYR A 64 -5.923 0.321 9.552 1.00 71.43 O ATOM 950 CB TYR A 64 -8.591 -0.105 11.013 1.00 44.45 C ATOM 951 CG TYR A 64 -10.077 -0.210 10.716 1.00 73.23 C ATOM 952 CD1 TYR A 64 -10.532 -0.243 9.381 1.00 22.42 C ATOM 953 CD2 TYR A 64 -11.010 -0.299 11.769 1.00 50.25 C ATOM 954 CE1 TYR A 64 -11.895 -0.405 9.098 1.00 52.01 C ATOM 955 CE2 TYR A 64 -12.383 -0.432 11.490 1.00 11.34 C ATOM 956 CZ TYR A 64 -12.827 -0.503 10.150 1.00 2.44 C ATOM 957 OH TYR A 64 -14.144 -0.661 9.862 1.00 1.01 O ATOM 0 H TYR A 64 -8.014 -2.433 11.829 1.00 32.30 H new ATOM 0 HA TYR A 64 -8.060 -1.126 9.194 1.00 53.35 H new ATOM 0 HB2 TYR A 64 -8.432 -0.256 12.081 1.00 44.45 H new ATOM 0 HB3 TYR A 64 -8.254 0.905 10.780 1.00 44.45 H new ATOM 0 HD1 TYR A 64 -9.825 -0.143 8.571 1.00 22.42 H new ATOM 0 HD2 TYR A 64 -10.670 -0.265 12.794 1.00 50.25 H new ATOM 0 HE1 TYR A 64 -12.231 -0.455 8.073 1.00 52.01 H new ATOM 0 HE2 TYR A 64 -13.097 -0.480 12.299 1.00 11.34 H new ATOM 0 HH TYR A 64 -14.657 -0.713 10.695 1.00 1.01 H new ATOM 967 N LYS A 65 -5.372 -1.510 10.679 1.00 65.24 N ATOM 968 CA LYS A 65 -4.004 -1.117 11.003 1.00 50.10 C ATOM 969 C LYS A 65 -3.037 -2.268 10.761 1.00 53.11 C ATOM 970 O LYS A 65 -1.828 -2.048 10.800 1.00 32.42 O ATOM 971 CB LYS A 65 -3.940 -0.589 12.454 1.00 43.32 C ATOM 972 CG LYS A 65 -5.013 -1.199 13.378 1.00 12.11 C ATOM 973 CD LYS A 65 -4.552 -1.364 14.822 1.00 23.10 C ATOM 974 CE LYS A 65 -4.483 -0.038 15.576 1.00 25.54 C ATOM 975 NZ LYS A 65 -3.857 -0.223 16.898 1.00 44.01 N ATOM 0 H LYS A 65 -5.579 -2.480 10.918 1.00 65.24 H new ATOM 0 HA LYS A 65 -3.695 -0.307 10.342 1.00 50.10 H new ATOM 0 HB2 LYS A 65 -2.954 -0.801 12.866 1.00 43.32 H new ATOM 0 HB3 LYS A 65 -4.055 0.495 12.443 1.00 43.32 H new ATOM 0 HG2 LYS A 65 -5.900 -0.566 13.359 1.00 12.11 H new ATOM 0 HG3 LYS A 65 -5.308 -2.172 12.986 1.00 12.11 H new ATOM 0 HD2 LYS A 65 -5.234 -2.037 15.342 1.00 23.10 H new ATOM 0 HD3 LYS A 65 -3.569 -1.835 14.833 1.00 23.10 H new ATOM 0 HE2 LYS A 65 -3.912 0.687 14.996 1.00 25.54 H new ATOM 0 HE3 LYS A 65 -5.486 0.370 15.697 1.00 25.54 H new ATOM 0 HZ1 LYS A 65 -3.819 0.690 17.395 1.00 44.01 H new ATOM 0 HZ2 LYS A 65 -4.418 -0.898 17.456 1.00 44.01 H new ATOM 0 HZ3 LYS A 65 -2.892 -0.591 16.777 1.00 44.01 H new ATOM 989 N GLU A 66 -3.535 -3.460 10.438 1.00 41.13 N ATOM 990 CA GLU A 66 -2.742 -4.570 9.962 1.00 51.01 C ATOM 991 C GLU A 66 -3.554 -5.232 8.849 1.00 65.52 C ATOM 992 O GLU A 66 -4.787 -5.182 8.863 1.00 65.54 O ATOM 993 CB GLU A 66 -2.454 -5.516 11.148 1.00 21.22 C ATOM 994 CG GLU A 66 -1.577 -6.740 10.822 1.00 65.53 C ATOM 995 CD GLU A 66 -1.655 -7.816 11.914 1.00 54.25 C ATOM 996 OE1 GLU A 66 -2.784 -8.281 12.193 1.00 22.31 O ATOM 997 OE2 GLU A 66 -0.615 -8.225 12.487 1.00 32.34 O ATOM 0 H GLU A 66 -4.529 -3.677 10.505 1.00 41.13 H new ATOM 0 HA GLU A 66 -1.774 -4.269 9.562 1.00 51.01 H new ATOM 0 HB2 GLU A 66 -1.968 -4.943 11.938 1.00 21.22 H new ATOM 0 HB3 GLU A 66 -3.405 -5.868 11.548 1.00 21.22 H new ATOM 0 HG2 GLU A 66 -1.892 -7.167 9.870 1.00 65.53 H new ATOM 0 HG3 GLU A 66 -0.542 -6.421 10.701 1.00 65.53 H new ATOM 1004 N PHE A 67 -2.883 -5.867 7.893 1.00 41.35 N ATOM 1005 CA PHE A 67 -3.482 -6.887 7.048 1.00 25.11 C ATOM 1006 C PHE A 67 -2.426 -7.970 6.887 1.00 54.03 C ATOM 1007 O PHE A 67 -1.408 -7.768 6.224 1.00 1.02 O ATOM 1008 CB PHE A 67 -3.983 -6.339 5.705 1.00 43.32 C ATOM 1009 CG PHE A 67 -4.636 -7.420 4.859 1.00 22.11 C ATOM 1010 CD1 PHE A 67 -5.973 -7.807 5.087 1.00 74.23 C ATOM 1011 CD2 PHE A 67 -3.878 -8.102 3.888 1.00 22.21 C ATOM 1012 CE1 PHE A 67 -6.535 -8.869 4.361 1.00 33.20 C ATOM 1013 CE2 PHE A 67 -4.451 -9.153 3.150 1.00 50.02 C ATOM 1014 CZ PHE A 67 -5.777 -9.547 3.392 1.00 43.32 C ATOM 0 H PHE A 67 -1.901 -5.685 7.684 1.00 41.35 H new ATOM 0 HA PHE A 67 -4.384 -7.288 7.510 1.00 25.11 H new ATOM 0 HB2 PHE A 67 -4.699 -5.537 5.885 1.00 43.32 H new ATOM 0 HB3 PHE A 67 -3.148 -5.904 5.156 1.00 43.32 H new ATOM 0 HD1 PHE A 67 -6.566 -7.285 5.823 1.00 74.23 H new ATOM 0 HD2 PHE A 67 -2.852 -7.817 3.709 1.00 22.21 H new ATOM 0 HE1 PHE A 67 -7.556 -9.166 4.549 1.00 33.20 H new ATOM 0 HE2 PHE A 67 -3.869 -9.659 2.394 1.00 50.02 H new ATOM 0 HZ PHE A 67 -6.211 -10.366 2.837 1.00 43.32 H new ATOM 1024 N ASP A 68 -2.633 -9.078 7.580 1.00 25.14 N ATOM 1025 CA ASP A 68 -1.856 -10.303 7.501 1.00 32.41 C ATOM 1026 C ASP A 68 -2.450 -11.139 6.366 1.00 34.40 C ATOM 1027 O ASP A 68 -3.479 -11.787 6.535 1.00 12.44 O ATOM 1028 CB ASP A 68 -1.848 -11.020 8.870 1.00 30.42 C ATOM 1029 CG ASP A 68 -3.225 -11.420 9.411 1.00 1.14 C ATOM 1030 OD1 ASP A 68 -4.139 -10.563 9.454 1.00 43.41 O ATOM 1031 OD2 ASP A 68 -3.395 -12.580 9.853 1.00 25.50 O ATOM 0 H ASP A 68 -3.395 -9.150 8.254 1.00 25.14 H new ATOM 0 HA ASP A 68 -0.807 -10.112 7.274 1.00 32.41 H new ATOM 0 HB2 ASP A 68 -1.234 -11.917 8.788 1.00 30.42 H new ATOM 0 HB3 ASP A 68 -1.365 -10.369 9.599 1.00 30.42 H new ATOM 1036 N GLY A 69 -1.852 -11.073 5.175 1.00 41.15 N ATOM 1037 CA GLY A 69 -2.327 -11.728 3.955 1.00 30.43 C ATOM 1038 C GLY A 69 -1.640 -13.066 3.681 1.00 42.03 C ATOM 1039 O GLY A 69 -1.827 -13.649 2.611 1.00 22.23 O ATOM 0 H GLY A 69 -0.993 -10.543 5.028 1.00 41.15 H new ATOM 0 HA2 GLY A 69 -3.402 -11.889 4.032 1.00 30.43 H new ATOM 0 HA3 GLY A 69 -2.164 -11.063 3.107 1.00 30.43 H new ATOM 1043 N GLY A 70 -0.805 -13.547 4.600 1.00 3.24 N ATOM 1044 CA GLY A 70 -0.082 -14.798 4.469 1.00 51.33 C ATOM 1045 C GLY A 70 1.243 -14.529 3.788 1.00 31.51 C ATOM 1046 O GLY A 70 2.268 -14.375 4.450 1.00 74.42 O ATOM 0 H GLY A 70 -0.612 -13.061 5.476 1.00 3.24 H new ATOM 0 HA2 GLY A 70 0.082 -15.243 5.450 1.00 51.33 H new ATOM 0 HA3 GLY A 70 -0.666 -15.512 3.889 1.00 51.33 H new ATOM 1050 N TRP A 71 1.224 -14.411 2.463 1.00 45.42 N ATOM 1051 CA TRP A 71 2.428 -14.122 1.693 1.00 25.14 C ATOM 1052 C TRP A 71 2.811 -12.633 1.695 1.00 61.13 C ATOM 1053 O TRP A 71 3.782 -12.220 1.056 1.00 70.53 O ATOM 1054 CB TRP A 71 2.280 -14.668 0.287 1.00 63.32 C ATOM 1055 CG TRP A 71 1.173 -14.132 -0.579 1.00 51.41 C ATOM 1056 CD1 TRP A 71 -0.093 -14.599 -0.599 1.00 34.20 C ATOM 1057 CD2 TRP A 71 1.225 -13.107 -1.618 1.00 32.20 C ATOM 1058 NE1 TRP A 71 -0.812 -13.978 -1.600 1.00 65.44 N ATOM 1059 CE2 TRP A 71 -0.035 -13.069 -2.288 1.00 31.31 C ATOM 1060 CE3 TRP A 71 2.211 -12.209 -2.070 1.00 11.44 C ATOM 1061 CZ2 TRP A 71 -0.281 -12.212 -3.376 1.00 73.42 C ATOM 1062 CZ3 TRP A 71 1.982 -11.346 -3.156 1.00 53.03 C ATOM 1063 CH2 TRP A 71 0.745 -11.362 -3.826 1.00 32.44 C ATOM 0 H TRP A 71 0.381 -14.512 1.898 1.00 45.42 H new ATOM 0 HA TRP A 71 3.259 -14.628 2.184 1.00 25.14 H new ATOM 0 HB2 TRP A 71 3.221 -14.498 -0.235 1.00 63.32 H new ATOM 0 HB3 TRP A 71 2.148 -15.747 0.363 1.00 63.32 H new ATOM 0 HD1 TRP A 71 -0.486 -15.349 0.071 1.00 34.20 H new ATOM 0 HE1 TRP A 71 -1.793 -14.167 -1.805 1.00 65.44 H new ATOM 0 HE3 TRP A 71 3.168 -12.183 -1.570 1.00 11.44 H new ATOM 0 HZ2 TRP A 71 -1.246 -12.207 -3.860 1.00 73.42 H new ATOM 0 HZ3 TRP A 71 2.759 -10.668 -3.477 1.00 53.03 H new ATOM 0 HH2 TRP A 71 0.584 -10.724 -4.682 1.00 32.44 H new ATOM 1074 N TYR A 72 2.028 -11.810 2.387 1.00 71.31 N ATOM 1075 CA TYR A 72 2.116 -10.365 2.409 1.00 21.14 C ATOM 1076 C TYR A 72 1.669 -9.926 3.799 1.00 45.41 C ATOM 1077 O TYR A 72 0.837 -10.587 4.427 1.00 42.25 O ATOM 1078 CB TYR A 72 1.178 -9.851 1.313 1.00 44.12 C ATOM 1079 CG TYR A 72 1.157 -8.357 1.051 1.00 53.23 C ATOM 1080 CD1 TYR A 72 2.043 -7.800 0.111 1.00 14.00 C ATOM 1081 CD2 TYR A 72 0.157 -7.549 1.622 1.00 3.21 C ATOM 1082 CE1 TYR A 72 1.984 -6.434 -0.215 1.00 13.10 C ATOM 1083 CE2 TYR A 72 0.056 -6.195 1.256 1.00 34.42 C ATOM 1084 CZ TYR A 72 0.992 -5.622 0.370 1.00 33.53 C ATOM 1085 OH TYR A 72 0.916 -4.299 0.066 1.00 21.14 O ATOM 0 H TYR A 72 1.275 -12.160 2.979 1.00 71.31 H new ATOM 0 HA TYR A 72 3.117 -9.977 2.222 1.00 21.14 H new ATOM 0 HB2 TYR A 72 1.443 -10.352 0.382 1.00 44.12 H new ATOM 0 HB3 TYR A 72 0.164 -10.162 1.565 1.00 44.12 H new ATOM 0 HD1 TYR A 72 2.778 -8.430 -0.367 1.00 14.00 H new ATOM 0 HD2 TYR A 72 -0.532 -7.968 2.340 1.00 3.21 H new ATOM 0 HE1 TYR A 72 2.694 -6.010 -0.909 1.00 13.10 H new ATOM 0 HE2 TYR A 72 -0.744 -5.590 1.656 1.00 34.42 H new ATOM 0 HH TYR A 72 1.328 -4.140 -0.809 1.00 21.14 H new ATOM 1095 N LEU A 73 2.199 -8.811 4.291 1.00 71.44 N ATOM 1096 CA LEU A 73 1.903 -8.274 5.607 1.00 74.11 C ATOM 1097 C LEU A 73 1.909 -6.759 5.505 1.00 1.20 C ATOM 1098 O LEU A 73 2.803 -6.194 4.876 1.00 65.21 O ATOM 1099 CB LEU A 73 2.969 -8.756 6.604 1.00 11.03 C ATOM 1100 CG LEU A 73 2.758 -8.255 8.047 1.00 61.34 C ATOM 1101 CD1 LEU A 73 1.415 -8.687 8.647 1.00 23.40 C ATOM 1102 CD2 LEU A 73 3.898 -8.791 8.919 1.00 52.11 C ATOM 0 H LEU A 73 2.865 -8.243 3.767 1.00 71.44 H new ATOM 0 HA LEU A 73 0.929 -8.614 5.958 1.00 74.11 H new ATOM 0 HB2 LEU A 73 2.980 -9.846 6.608 1.00 11.03 H new ATOM 0 HB3 LEU A 73 3.949 -8.428 6.257 1.00 11.03 H new ATOM 0 HG LEU A 73 2.752 -7.165 8.019 1.00 61.34 H new ATOM 0 HD11 LEU A 73 1.330 -8.302 9.663 1.00 23.40 H new ATOM 0 HD12 LEU A 73 0.601 -8.291 8.040 1.00 23.40 H new ATOM 0 HD13 LEU A 73 1.358 -9.775 8.666 1.00 23.40 H new ATOM 0 HD21 LEU A 73 3.765 -8.446 9.944 1.00 52.11 H new ATOM 0 HD22 LEU A 73 3.890 -9.881 8.899 1.00 52.11 H new ATOM 0 HD23 LEU A 73 4.851 -8.428 8.535 1.00 52.11 H new ATOM 1114 N VAL A 74 0.949 -6.110 6.155 1.00 65.12 N ATOM 1115 CA VAL A 74 0.809 -4.665 6.241 1.00 51.24 C ATOM 1116 C VAL A 74 0.695 -4.310 7.716 1.00 73.51 C ATOM 1117 O VAL A 74 0.004 -5.023 8.444 1.00 62.41 O ATOM 1118 CB VAL A 74 -0.453 -4.207 5.478 1.00 13.12 C ATOM 1119 CG1 VAL A 74 -0.441 -2.690 5.321 1.00 70.44 C ATOM 1120 CG2 VAL A 74 -0.564 -4.832 4.088 1.00 52.43 C ATOM 0 H VAL A 74 0.213 -6.603 6.660 1.00 65.12 H new ATOM 0 HA VAL A 74 1.667 -4.165 5.792 1.00 51.24 H new ATOM 0 HB VAL A 74 -1.309 -4.536 6.068 1.00 13.12 H new ATOM 0 HG11 VAL A 74 -1.334 -2.373 4.782 1.00 70.44 H new ATOM 0 HG12 VAL A 74 -0.426 -2.222 6.306 1.00 70.44 H new ATOM 0 HG13 VAL A 74 0.446 -2.389 4.763 1.00 70.44 H new ATOM 0 HG21 VAL A 74 -1.470 -4.474 3.599 1.00 52.43 H new ATOM 0 HG22 VAL A 74 0.305 -4.552 3.493 1.00 52.43 H new ATOM 0 HG23 VAL A 74 -0.606 -5.917 4.179 1.00 52.43 H new ATOM 1130 N LYS A 75 1.329 -3.219 8.153 1.00 43.23 N ATOM 1131 CA LYS A 75 1.231 -2.662 9.501 1.00 23.43 C ATOM 1132 C LYS A 75 1.287 -1.145 9.392 1.00 14.31 C ATOM 1133 O LYS A 75 2.186 -0.628 8.732 1.00 65.20 O ATOM 1134 CB LYS A 75 2.407 -3.157 10.358 1.00 42.20 C ATOM 1135 CG LYS A 75 2.125 -4.526 10.998 1.00 3.44 C ATOM 1136 CD LYS A 75 3.352 -5.280 11.532 1.00 33.14 C ATOM 1137 CE LYS A 75 4.442 -5.531 10.478 1.00 14.42 C ATOM 1138 NZ LYS A 75 5.777 -5.733 11.085 1.00 44.43 N ATOM 0 H LYS A 75 1.950 -2.679 7.551 1.00 43.23 H new ATOM 0 HA LYS A 75 0.298 -2.977 9.969 1.00 23.43 H new ATOM 0 HB2 LYS A 75 3.302 -3.225 9.739 1.00 42.20 H new ATOM 0 HB3 LYS A 75 2.616 -2.428 11.141 1.00 42.20 H new ATOM 0 HG2 LYS A 75 1.423 -4.384 11.820 1.00 3.44 H new ATOM 0 HG3 LYS A 75 1.628 -5.156 10.260 1.00 3.44 H new ATOM 0 HD2 LYS A 75 3.783 -4.713 12.357 1.00 33.14 H new ATOM 0 HD3 LYS A 75 3.028 -6.238 11.939 1.00 33.14 H new ATOM 0 HE2 LYS A 75 4.178 -6.408 9.888 1.00 14.42 H new ATOM 0 HE3 LYS A 75 4.482 -4.685 9.792 1.00 14.42 H new ATOM 0 HZ1 LYS A 75 6.478 -5.898 10.335 1.00 44.43 H new ATOM 0 HZ2 LYS A 75 6.043 -4.887 11.627 1.00 44.43 H new ATOM 0 HZ3 LYS A 75 5.749 -6.556 11.720 1.00 44.43 H new ATOM 1152 N ILE A 76 0.359 -0.438 10.029 1.00 2.11 N ATOM 1153 CA ILE A 76 0.410 1.003 10.247 1.00 64.51 C ATOM 1154 C ILE A 76 0.865 1.176 11.692 1.00 23.31 C ATOM 1155 O ILE A 76 0.256 0.614 12.606 1.00 52.12 O ATOM 1156 CB ILE A 76 -0.977 1.656 10.006 1.00 22.35 C ATOM 1157 CG1 ILE A 76 -1.423 1.485 8.539 1.00 74.34 C ATOM 1158 CG2 ILE A 76 -0.947 3.157 10.359 1.00 41.22 C ATOM 1159 CD1 ILE A 76 -2.856 1.937 8.253 1.00 12.13 C ATOM 0 H ILE A 76 -0.479 -0.868 10.421 1.00 2.11 H new ATOM 0 HA ILE A 76 1.091 1.494 9.552 1.00 64.51 H new ATOM 0 HB ILE A 76 -1.692 1.150 10.655 1.00 22.35 H new ATOM 0 HG12 ILE A 76 -0.744 2.048 7.898 1.00 74.34 H new ATOM 0 HG13 ILE A 76 -1.325 0.435 8.263 1.00 74.34 H new ATOM 0 HG21 ILE A 76 -1.930 3.592 10.182 1.00 41.22 H new ATOM 0 HG22 ILE A 76 -0.680 3.279 11.409 1.00 41.22 H new ATOM 0 HG23 ILE A 76 -0.209 3.663 9.736 1.00 41.22 H new ATOM 0 HD11 ILE A 76 -3.083 1.780 7.199 1.00 12.13 H new ATOM 0 HD12 ILE A 76 -3.549 1.358 8.863 1.00 12.13 H new ATOM 0 HD13 ILE A 76 -2.958 2.995 8.493 1.00 12.13 H new ATOM 1171 N GLU A 77 1.892 1.991 11.919 1.00 13.32 N ATOM 1172 CA GLU A 77 2.308 2.426 13.236 1.00 10.03 C ATOM 1173 C GLU A 77 2.228 3.950 13.269 1.00 45.02 C ATOM 1174 O GLU A 77 3.136 4.634 12.785 1.00 11.15 O ATOM 1175 CB GLU A 77 3.722 1.940 13.529 1.00 4.15 C ATOM 1176 CG GLU A 77 3.932 0.422 13.444 1.00 13.32 C ATOM 1177 CD GLU A 77 5.168 0.075 14.271 1.00 2.11 C ATOM 1178 OE1 GLU A 77 6.243 0.660 14.017 1.00 25.32 O ATOM 1179 OE2 GLU A 77 5.079 -0.793 15.170 1.00 62.50 O ATOM 0 H GLU A 77 2.468 2.373 11.169 1.00 13.32 H new ATOM 0 HA GLU A 77 1.658 2.007 14.004 1.00 10.03 H new ATOM 0 HB2 GLU A 77 4.405 2.423 12.830 1.00 4.15 H new ATOM 0 HB3 GLU A 77 4.001 2.272 14.529 1.00 4.15 H new ATOM 0 HG2 GLU A 77 3.058 -0.106 13.824 1.00 13.32 H new ATOM 0 HG3 GLU A 77 4.066 0.112 12.408 1.00 13.32 H new ATOM 1186 N ASP A 78 1.142 4.488 13.820 1.00 61.33 N ATOM 1187 CA ASP A 78 0.701 5.884 13.718 1.00 22.22 C ATOM 1188 C ASP A 78 0.580 6.299 12.256 1.00 10.22 C ATOM 1189 O ASP A 78 -0.497 6.196 11.674 1.00 70.22 O ATOM 1190 CB ASP A 78 1.595 6.883 14.482 1.00 30.23 C ATOM 1191 CG ASP A 78 1.379 6.933 15.982 1.00 30.45 C ATOM 1192 OD1 ASP A 78 0.211 6.879 16.426 1.00 74.43 O ATOM 1193 OD2 ASP A 78 2.380 7.191 16.689 1.00 53.31 O ATOM 0 H ASP A 78 0.504 3.928 14.386 1.00 61.33 H new ATOM 0 HA ASP A 78 -0.276 5.923 14.199 1.00 22.22 H new ATOM 0 HB2 ASP A 78 2.638 6.631 14.290 1.00 30.23 H new ATOM 0 HB3 ASP A 78 1.427 7.880 14.074 1.00 30.23 H new ATOM 1198 N ASN A 79 1.698 6.730 11.672 1.00 43.41 N ATOM 1199 CA ASN A 79 1.849 7.314 10.351 1.00 52.14 C ATOM 1200 C ASN A 79 2.870 6.575 9.498 1.00 23.13 C ATOM 1201 O ASN A 79 3.098 6.957 8.351 1.00 63.33 O ATOM 1202 CB ASN A 79 2.283 8.773 10.485 1.00 21.31 C ATOM 1203 CG ASN A 79 3.714 8.980 10.958 1.00 32.42 C ATOM 1204 OD1 ASN A 79 4.112 8.538 12.032 1.00 71.24 O ATOM 1205 ND2 ASN A 79 4.499 9.770 10.261 1.00 64.14 N ATOM 0 H ASN A 79 2.593 6.672 12.157 1.00 43.41 H new ATOM 0 HA ASN A 79 0.882 7.238 9.854 1.00 52.14 H new ATOM 0 HB2 ASN A 79 2.162 9.262 9.518 1.00 21.31 H new ATOM 0 HB3 ASN A 79 1.611 9.273 11.182 1.00 21.31 H new ATOM 0 HD21 ASN A 79 5.426 10.009 10.614 1.00 64.14 H new ATOM 0 HD22 ASN A 79 4.182 10.145 9.367 1.00 64.14 H new ATOM 1212 N GLU A 80 3.525 5.562 10.056 1.00 33.52 N ATOM 1213 CA GLU A 80 4.502 4.749 9.371 1.00 10.21 C ATOM 1214 C GLU A 80 3.810 3.473 8.926 1.00 23.53 C ATOM 1215 O GLU A 80 3.701 2.514 9.689 1.00 33.44 O ATOM 1216 CB GLU A 80 5.724 4.513 10.261 1.00 73.13 C ATOM 1217 CG GLU A 80 6.503 5.811 10.497 1.00 14.32 C ATOM 1218 CD GLU A 80 7.968 5.604 10.884 1.00 70.24 C ATOM 1219 OE1 GLU A 80 8.472 4.457 10.908 1.00 45.44 O ATOM 1220 OE2 GLU A 80 8.631 6.643 11.128 1.00 12.35 O ATOM 0 H GLU A 80 3.380 5.283 11.026 1.00 33.52 H new ATOM 0 HA GLU A 80 4.890 5.251 8.484 1.00 10.21 H new ATOM 0 HB2 GLU A 80 5.405 4.099 11.218 1.00 73.13 H new ATOM 0 HB3 GLU A 80 6.377 3.774 9.796 1.00 73.13 H new ATOM 0 HG2 GLU A 80 6.461 6.416 9.591 1.00 14.32 H new ATOM 0 HG3 GLU A 80 6.008 6.380 11.284 1.00 14.32 H new ATOM 1227 N LEU A 81 3.297 3.492 7.699 1.00 44.04 N ATOM 1228 CA LEU A 81 2.777 2.318 7.027 1.00 74.51 C ATOM 1229 C LEU A 81 3.950 1.547 6.462 1.00 65.34 C ATOM 1230 O LEU A 81 4.825 2.109 5.808 1.00 63.53 O ATOM 1231 CB LEU A 81 1.787 2.749 5.946 1.00 74.23 C ATOM 1232 CG LEU A 81 1.103 1.640 5.127 1.00 41.34 C ATOM 1233 CD1 LEU A 81 1.817 1.300 3.818 1.00 70.34 C ATOM 1234 CD2 LEU A 81 0.787 0.364 5.898 1.00 34.22 C ATOM 0 H LEU A 81 3.233 4.342 7.139 1.00 44.04 H new ATOM 0 HA LEU A 81 2.235 1.669 7.715 1.00 74.51 H new ATOM 0 HB2 LEU A 81 1.008 3.345 6.421 1.00 74.23 H new ATOM 0 HB3 LEU A 81 2.312 3.405 5.252 1.00 74.23 H new ATOM 0 HG LEU A 81 0.147 2.101 4.880 1.00 41.34 H new ATOM 0 HD11 LEU A 81 1.272 0.510 3.301 1.00 70.34 H new ATOM 0 HD12 LEU A 81 1.858 2.187 3.185 1.00 70.34 H new ATOM 0 HD13 LEU A 81 2.830 0.961 4.034 1.00 70.34 H new ATOM 0 HD21 LEU A 81 0.307 -0.354 5.233 1.00 34.22 H new ATOM 0 HD22 LEU A 81 1.711 -0.064 6.288 1.00 34.22 H new ATOM 0 HD23 LEU A 81 0.117 0.596 6.726 1.00 34.22 H new ATOM 1246 N LYS A 82 4.014 0.262 6.755 1.00 70.50 N ATOM 1247 CA LYS A 82 5.115 -0.618 6.411 1.00 63.30 C ATOM 1248 C LYS A 82 4.513 -1.882 5.829 1.00 54.21 C ATOM 1249 O LYS A 82 3.503 -2.357 6.359 1.00 54.10 O ATOM 1250 CB LYS A 82 5.918 -0.963 7.674 1.00 31.15 C ATOM 1251 CG LYS A 82 6.378 0.248 8.514 1.00 45.24 C ATOM 1252 CD LYS A 82 6.200 0.013 10.021 1.00 50.20 C ATOM 1253 CE LYS A 82 6.413 1.273 10.863 1.00 71.43 C ATOM 1254 NZ LYS A 82 7.830 1.634 11.048 1.00 44.24 N ATOM 0 H LYS A 82 3.269 -0.217 7.260 1.00 70.50 H new ATOM 0 HA LYS A 82 5.785 -0.140 5.696 1.00 63.30 H new ATOM 0 HB2 LYS A 82 5.311 -1.612 8.305 1.00 31.15 H new ATOM 0 HB3 LYS A 82 6.798 -1.536 7.380 1.00 31.15 H new ATOM 0 HG2 LYS A 82 7.427 0.457 8.302 1.00 45.24 H new ATOM 0 HG3 LYS A 82 5.811 1.130 8.217 1.00 45.24 H new ATOM 0 HD2 LYS A 82 5.197 -0.372 10.205 1.00 50.20 H new ATOM 0 HD3 LYS A 82 6.901 -0.755 10.347 1.00 50.20 H new ATOM 0 HE2 LYS A 82 5.894 2.107 10.390 1.00 71.43 H new ATOM 0 HE3 LYS A 82 5.955 1.127 11.841 1.00 71.43 H new ATOM 0 HZ1 LYS A 82 7.937 2.666 10.980 1.00 44.24 H new ATOM 0 HZ2 LYS A 82 8.150 1.314 11.984 1.00 44.24 H new ATOM 0 HZ3 LYS A 82 8.404 1.177 10.311 1.00 44.24 H new ATOM 1268 N VAL A 83 5.150 -2.469 4.822 1.00 42.02 N ATOM 1269 CA VAL A 83 4.769 -3.790 4.340 1.00 30.22 C ATOM 1270 C VAL A 83 5.990 -4.684 4.330 1.00 24.25 C ATOM 1271 O VAL A 83 7.116 -4.197 4.178 1.00 24.55 O ATOM 1272 CB VAL A 83 4.064 -3.742 2.963 1.00 23.11 C ATOM 1273 CG1 VAL A 83 2.895 -2.748 2.948 1.00 30.13 C ATOM 1274 CG2 VAL A 83 5.009 -3.414 1.796 1.00 34.51 C ATOM 0 H VAL A 83 5.934 -2.049 4.323 1.00 42.02 H new ATOM 0 HA VAL A 83 4.029 -4.209 5.022 1.00 30.22 H new ATOM 0 HB VAL A 83 3.688 -4.754 2.816 1.00 23.11 H new ATOM 0 HG11 VAL A 83 2.430 -2.748 1.962 1.00 30.13 H new ATOM 0 HG12 VAL A 83 2.159 -3.041 3.696 1.00 30.13 H new ATOM 0 HG13 VAL A 83 3.265 -1.748 3.175 1.00 30.13 H new ATOM 0 HG21 VAL A 83 4.444 -3.398 0.864 1.00 34.51 H new ATOM 0 HG22 VAL A 83 5.465 -2.438 1.961 1.00 34.51 H new ATOM 0 HG23 VAL A 83 5.789 -4.173 1.735 1.00 34.51 H new ATOM 1284 N ILE A 84 5.767 -5.989 4.452 1.00 24.42 N ATOM 1285 CA ILE A 84 6.777 -7.013 4.262 1.00 64.32 C ATOM 1286 C ILE A 84 6.099 -8.069 3.401 1.00 21.31 C ATOM 1287 O ILE A 84 5.002 -8.525 3.731 1.00 44.04 O ATOM 1288 CB ILE A 84 7.276 -7.548 5.623 1.00 73.30 C ATOM 1289 CG1 ILE A 84 7.876 -6.409 6.482 1.00 30.34 C ATOM 1290 CG2 ILE A 84 8.331 -8.649 5.399 1.00 61.24 C ATOM 1291 CD1 ILE A 84 7.984 -6.730 7.962 1.00 50.30 C ATOM 0 H ILE A 84 4.852 -6.369 4.693 1.00 24.42 H new ATOM 0 HA ILE A 84 7.678 -6.645 3.771 1.00 64.32 H new ATOM 0 HB ILE A 84 6.424 -7.966 6.159 1.00 73.30 H new ATOM 0 HG12 ILE A 84 8.869 -6.168 6.102 1.00 30.34 H new ATOM 0 HG13 ILE A 84 7.262 -5.516 6.360 1.00 30.34 H new ATOM 0 HG21 ILE A 84 8.678 -9.022 6.363 1.00 61.24 H new ATOM 0 HG22 ILE A 84 7.888 -9.468 4.832 1.00 61.24 H new ATOM 0 HG23 ILE A 84 9.174 -8.238 4.844 1.00 61.24 H new ATOM 0 HD11 ILE A 84 8.414 -5.878 8.489 1.00 50.30 H new ATOM 0 HD12 ILE A 84 6.992 -6.941 8.362 1.00 50.30 H new ATOM 0 HD13 ILE A 84 8.623 -7.602 8.099 1.00 50.30 H new ATOM 1303 N ILE A 85 6.723 -8.436 2.288 1.00 33.51 N ATOM 1304 CA ILE A 85 6.223 -9.444 1.357 1.00 4.04 C ATOM 1305 C ILE A 85 7.199 -10.613 1.431 1.00 65.34 C ATOM 1306 O ILE A 85 8.403 -10.380 1.549 1.00 3.32 O ATOM 1307 CB ILE A 85 6.108 -8.859 -0.074 1.00 5.10 C ATOM 1308 CG1 ILE A 85 5.542 -7.418 -0.049 1.00 51.40 C ATOM 1309 CG2 ILE A 85 5.288 -9.824 -0.954 1.00 32.43 C ATOM 1310 CD1 ILE A 85 5.264 -6.828 -1.430 1.00 53.33 C ATOM 0 H ILE A 85 7.614 -8.031 1.999 1.00 33.51 H new ATOM 0 HA ILE A 85 5.219 -9.777 1.619 1.00 4.04 H new ATOM 0 HB ILE A 85 7.100 -8.772 -0.518 1.00 5.10 H new ATOM 0 HG12 ILE A 85 4.617 -7.413 0.528 1.00 51.40 H new ATOM 0 HG13 ILE A 85 6.247 -6.772 0.474 1.00 51.40 H new ATOM 0 HG21 ILE A 85 5.205 -9.416 -1.961 1.00 32.43 H new ATOM 0 HG22 ILE A 85 5.787 -10.792 -0.995 1.00 32.43 H new ATOM 0 HG23 ILE A 85 4.292 -9.947 -0.529 1.00 32.43 H new ATOM 0 HD11 ILE A 85 4.870 -5.817 -1.321 1.00 53.33 H new ATOM 0 HD12 ILE A 85 6.189 -6.797 -2.005 1.00 53.33 H new ATOM 0 HD13 ILE A 85 4.534 -7.448 -1.950 1.00 53.33 H new ATOM 1322 N ASN A 86 6.705 -11.849 1.347 1.00 70.14 N ATOM 1323 CA ASN A 86 7.513 -13.045 1.406 1.00 34.14 C ATOM 1324 C ASN A 86 7.372 -13.898 0.151 1.00 10.12 C ATOM 1325 O ASN A 86 6.636 -13.562 -0.784 1.00 32.14 O ATOM 1326 CB ASN A 86 7.229 -13.793 2.706 1.00 73.53 C ATOM 1327 CG ASN A 86 5.880 -14.455 2.879 1.00 50.15 C ATOM 1328 OD1 ASN A 86 5.676 -15.582 2.442 1.00 2.21 O ATOM 1329 ND2 ASN A 86 4.998 -13.843 3.640 1.00 72.21 N ATOM 0 H ASN A 86 5.709 -12.039 1.234 1.00 70.14 H new ATOM 0 HA ASN A 86 8.567 -12.766 1.422 1.00 34.14 H new ATOM 0 HB2 ASN A 86 7.993 -14.563 2.819 1.00 73.53 H new ATOM 0 HB3 ASN A 86 7.361 -13.090 3.528 1.00 73.53 H new ATOM 0 HD21 ASN A 86 4.121 -14.307 3.879 1.00 72.21 H new ATOM 0 HD22 ASN A 86 5.191 -12.905 3.991 1.00 72.21 H new ATOM 1336 N ARG A 87 8.192 -14.947 0.082 1.00 45.15 N ATOM 1337 CA ARG A 87 8.545 -15.582 -1.177 1.00 4.33 C ATOM 1338 C ARG A 87 7.353 -16.316 -1.768 1.00 52.22 C ATOM 1339 O ARG A 87 6.721 -17.139 -1.100 1.00 42.05 O ATOM 1340 CB ARG A 87 9.808 -16.442 -0.998 1.00 10.31 C ATOM 1341 CG ARG A 87 10.134 -17.337 -2.199 1.00 1.24 C ATOM 1342 CD ARG A 87 9.426 -18.699 -2.243 1.00 21.43 C ATOM 1343 NE ARG A 87 10.340 -19.849 -2.153 1.00 50.33 N ATOM 1344 CZ ARG A 87 11.153 -20.311 -3.113 1.00 31.42 C ATOM 1345 NH1 ARG A 87 11.327 -19.664 -4.260 1.00 5.44 N ATOM 1346 NH2 ARG A 87 11.797 -21.456 -2.942 1.00 51.44 N ATOM 0 H ARG A 87 8.627 -15.376 0.899 1.00 45.15 H new ATOM 0 HA ARG A 87 8.803 -14.826 -1.919 1.00 4.33 H new ATOM 0 HB2 ARG A 87 10.657 -15.786 -0.807 1.00 10.31 H new ATOM 0 HB3 ARG A 87 9.685 -17.069 -0.115 1.00 10.31 H new ATOM 0 HG2 ARG A 87 9.885 -16.792 -3.110 1.00 1.24 H new ATOM 0 HG3 ARG A 87 11.210 -17.510 -2.215 1.00 1.24 H new ATOM 0 HD2 ARG A 87 8.710 -18.752 -1.423 1.00 21.43 H new ATOM 0 HD3 ARG A 87 8.856 -18.772 -3.169 1.00 21.43 H new ATOM 0 HE ARG A 87 10.356 -20.348 -1.264 1.00 50.33 H new ATOM 0 HH11 ARG A 87 10.834 -18.787 -4.431 1.00 5.44 H new ATOM 0 HH12 ARG A 87 11.953 -20.044 -4.970 1.00 5.44 H new ATOM 0 HH21 ARG A 87 11.674 -21.986 -2.079 1.00 51.44 H new ATOM 0 HH22 ARG A 87 12.416 -21.807 -3.673 1.00 51.44 H new ATOM 1360 N ASN A 88 7.101 -16.040 -3.045 1.00 4.02 N ATOM 1361 CA ASN A 88 6.029 -16.654 -3.814 1.00 62.55 C ATOM 1362 C ASN A 88 6.440 -18.075 -4.108 1.00 70.55 C ATOM 1363 O ASN A 88 7.379 -18.287 -4.869 1.00 5.03 O ATOM 1364 CB ASN A 88 5.756 -15.879 -5.113 1.00 13.44 C ATOM 1365 CG ASN A 88 4.666 -16.517 -5.973 1.00 34.14 C ATOM 1366 OD1 ASN A 88 4.016 -17.498 -5.615 1.00 63.11 O ATOM 1367 ND2 ASN A 88 4.437 -15.964 -7.147 1.00 30.22 N ATOM 0 H ASN A 88 7.649 -15.369 -3.583 1.00 4.02 H new ATOM 0 HA ASN A 88 5.101 -16.636 -3.243 1.00 62.55 H new ATOM 0 HB2 ASN A 88 5.465 -14.858 -4.866 1.00 13.44 H new ATOM 0 HB3 ASN A 88 6.677 -15.816 -5.692 1.00 13.44 H new ATOM 0 HD21 ASN A 88 3.719 -16.349 -7.761 1.00 30.22 H new ATOM 0 HD22 ASN A 88 4.977 -15.151 -7.442 1.00 30.22 H new ATOM 1374 N GLU A 89 5.793 -19.046 -3.471 1.00 5.12 N ATOM 1375 CA GLU A 89 6.138 -20.449 -3.652 1.00 74.41 C ATOM 1376 C GLU A 89 5.665 -20.993 -5.005 1.00 72.42 C ATOM 1377 O GLU A 89 5.990 -22.136 -5.325 1.00 73.23 O ATOM 1378 CB GLU A 89 5.619 -21.303 -2.479 1.00 64.22 C ATOM 1379 CG GLU A 89 4.093 -21.330 -2.310 1.00 21.51 C ATOM 1380 CD GLU A 89 3.651 -22.480 -1.399 1.00 51.21 C ATOM 1381 OE1 GLU A 89 3.532 -23.634 -1.885 1.00 54.43 O ATOM 1382 OE2 GLU A 89 3.460 -22.279 -0.178 1.00 32.13 O ATOM 0 H GLU A 89 5.023 -18.884 -2.822 1.00 5.12 H new ATOM 0 HA GLU A 89 7.226 -20.516 -3.656 1.00 74.41 H new ATOM 0 HB2 GLU A 89 5.971 -22.326 -2.613 1.00 64.22 H new ATOM 0 HB3 GLU A 89 6.063 -20.931 -1.556 1.00 64.22 H new ATOM 0 HG2 GLU A 89 3.755 -20.382 -1.891 1.00 21.51 H new ATOM 0 HG3 GLU A 89 3.619 -21.434 -3.286 1.00 21.51 H new ATOM 1389 N THR A 90 4.921 -20.217 -5.803 1.00 11.04 N ATOM 1390 CA THR A 90 4.271 -20.706 -7.008 1.00 10.13 C ATOM 1391 C THR A 90 4.868 -20.124 -8.289 1.00 3.23 C ATOM 1392 O THR A 90 5.577 -19.117 -8.311 1.00 3.30 O ATOM 1393 CB THR A 90 2.746 -20.513 -6.940 1.00 64.54 C ATOM 1394 OG1 THR A 90 2.336 -19.162 -7.032 1.00 61.53 O ATOM 1395 CG2 THR A 90 2.113 -21.135 -5.699 1.00 50.41 C ATOM 0 H THR A 90 4.757 -19.227 -5.622 1.00 11.04 H new ATOM 0 HA THR A 90 4.466 -21.777 -7.052 1.00 10.13 H new ATOM 0 HB THR A 90 2.387 -21.042 -7.823 1.00 64.54 H new ATOM 0 HG1 THR A 90 2.892 -18.611 -6.443 1.00 61.53 H new ATOM 0 HG21 THR A 90 1.037 -20.962 -5.714 1.00 50.41 H new ATOM 0 HG22 THR A 90 2.308 -22.207 -5.690 1.00 50.41 H new ATOM 0 HG23 THR A 90 2.541 -20.680 -4.806 1.00 50.41 H new ATOM 1403 N ASN A 91 4.524 -20.793 -9.382 1.00 61.52 N ATOM 1404 CA ASN A 91 4.944 -20.560 -10.756 1.00 54.44 C ATOM 1405 C ASN A 91 4.193 -19.425 -11.461 1.00 43.14 C ATOM 1406 O ASN A 91 4.425 -19.210 -12.650 1.00 62.44 O ATOM 1407 CB ASN A 91 4.736 -21.864 -11.534 1.00 52.54 C ATOM 1408 CG ASN A 91 3.277 -22.278 -11.472 1.00 2.42 C ATOM 1409 OD1 ASN A 91 2.411 -21.715 -12.127 1.00 33.11 O ATOM 1410 ND2 ASN A 91 2.961 -23.165 -10.548 1.00 54.52 N ATOM 0 H ASN A 91 3.885 -21.586 -9.322 1.00 61.52 H new ATOM 0 HA ASN A 91 5.989 -20.251 -10.729 1.00 54.44 H new ATOM 0 HB2 ASN A 91 5.041 -21.731 -12.572 1.00 52.54 H new ATOM 0 HB3 ASN A 91 5.364 -22.651 -11.116 1.00 52.54 H new ATOM 0 HD21 ASN A 91 1.982 -23.390 -10.371 1.00 54.52 H new ATOM 0 HD22 ASN A 91 3.696 -23.625 -10.011 1.00 54.52 H new ATOM 1417 N ALA A 92 3.307 -18.691 -10.783 1.00 43.55 N ATOM 1418 CA ALA A 92 2.533 -17.614 -11.392 1.00 65.05 C ATOM 1419 C ALA A 92 2.641 -16.366 -10.524 1.00 73.41 C ATOM 1420 O ALA A 92 2.553 -16.454 -9.294 1.00 62.35 O ATOM 1421 CB ALA A 92 1.085 -18.065 -11.596 1.00 52.44 C ATOM 0 H ALA A 92 3.108 -18.830 -9.792 1.00 43.55 H new ATOM 0 HA ALA A 92 2.931 -17.367 -12.376 1.00 65.05 H new ATOM 0 HB1 ALA A 92 0.513 -17.256 -12.051 1.00 52.44 H new ATOM 0 HB2 ALA A 92 1.064 -18.937 -12.250 1.00 52.44 H new ATOM 0 HB3 ALA A 92 0.645 -18.323 -10.633 1.00 52.44 H new ATOM 1427 N SER A 93 2.844 -15.224 -11.172 1.00 30.24 N ATOM 1428 CA SER A 93 2.949 -13.899 -10.589 1.00 12.23 C ATOM 1429 C SER A 93 1.592 -13.447 -10.043 1.00 54.43 C ATOM 1430 O SER A 93 0.556 -14.051 -10.342 1.00 50.13 O ATOM 1431 CB SER A 93 3.490 -12.949 -11.671 1.00 43.13 C ATOM 1432 OG SER A 93 3.163 -13.370 -12.989 1.00 63.23 O ATOM 0 H SER A 93 2.946 -15.202 -12.187 1.00 30.24 H new ATOM 0 HA SER A 93 3.636 -13.899 -9.742 1.00 12.23 H new ATOM 0 HB2 SER A 93 3.088 -11.950 -11.504 1.00 43.13 H new ATOM 0 HB3 SER A 93 4.573 -12.877 -11.576 1.00 43.13 H new ATOM 0 HG SER A 93 3.528 -12.732 -13.636 1.00 63.23 H new ATOM 1438 N ARG A 94 1.585 -12.410 -9.203 1.00 52.41 N ATOM 1439 CA ARG A 94 0.405 -11.989 -8.463 1.00 32.34 C ATOM 1440 C ARG A 94 0.489 -10.474 -8.245 1.00 11.44 C ATOM 1441 O ARG A 94 1.561 -9.898 -8.444 1.00 31.30 O ATOM 1442 CB ARG A 94 0.287 -12.879 -7.188 1.00 4.23 C ATOM 1443 CG ARG A 94 1.592 -13.450 -6.563 1.00 30.52 C ATOM 1444 CD ARG A 94 1.383 -14.506 -5.459 1.00 4.31 C ATOM 1445 NE ARG A 94 0.635 -15.694 -5.918 1.00 54.32 N ATOM 1446 CZ ARG A 94 -0.185 -16.460 -5.182 1.00 50.32 C ATOM 1447 NH1 ARG A 94 -0.277 -16.305 -3.866 1.00 74.23 N ATOM 1448 NH2 ARG A 94 -0.934 -17.365 -5.800 1.00 44.22 N ATOM 0 H ARG A 94 2.408 -11.837 -9.019 1.00 52.41 H new ATOM 0 HA ARG A 94 -0.532 -12.141 -8.998 1.00 32.34 H new ATOM 0 HB2 ARG A 94 -0.221 -12.295 -6.421 1.00 4.23 H new ATOM 0 HB3 ARG A 94 -0.362 -13.721 -7.429 1.00 4.23 H new ATOM 0 HG2 ARG A 94 2.193 -13.892 -7.357 1.00 30.52 H new ATOM 0 HG3 ARG A 94 2.169 -12.624 -6.149 1.00 30.52 H new ATOM 0 HD2 ARG A 94 2.355 -14.822 -5.080 1.00 4.31 H new ATOM 0 HD3 ARG A 94 0.849 -14.049 -4.626 1.00 4.31 H new ATOM 0 HE ARG A 94 0.754 -15.960 -6.896 1.00 54.32 H new ATOM 0 HH11 ARG A 94 0.282 -15.593 -3.396 1.00 74.23 H new ATOM 0 HH12 ARG A 94 -0.907 -16.898 -3.325 1.00 74.23 H new ATOM 0 HH21 ARG A 94 -0.879 -17.467 -6.813 1.00 44.22 H new ATOM 0 HH22 ARG A 94 -1.565 -17.959 -5.261 1.00 44.22 H new ATOM 1462 N SER A 95 -0.580 -9.768 -7.867 1.00 34.54 N ATOM 1463 CA SER A 95 -0.414 -8.434 -7.285 1.00 44.05 C ATOM 1464 C SER A 95 -1.297 -8.270 -6.068 1.00 30.32 C ATOM 1465 O SER A 95 -2.376 -8.853 -5.965 1.00 53.32 O ATOM 1466 CB SER A 95 -0.640 -7.252 -8.240 1.00 42.22 C ATOM 1467 OG SER A 95 -1.896 -7.171 -8.885 1.00 32.43 O ATOM 0 H SER A 95 -1.545 -10.087 -7.950 1.00 34.54 H new ATOM 0 HA SER A 95 0.642 -8.393 -7.017 1.00 44.05 H new ATOM 0 HB2 SER A 95 -0.489 -6.330 -7.678 1.00 42.22 H new ATOM 0 HB3 SER A 95 0.132 -7.287 -9.008 1.00 42.22 H new ATOM 0 HG SER A 95 -2.403 -6.415 -8.521 1.00 32.43 H new ATOM 1473 N PHE A 96 -0.848 -7.380 -5.201 1.00 42.12 N ATOM 1474 CA PHE A 96 -1.628 -6.724 -4.190 1.00 10.30 C ATOM 1475 C PHE A 96 -2.084 -5.353 -4.684 1.00 25.23 C ATOM 1476 O PHE A 96 -1.593 -4.782 -5.663 1.00 42.33 O ATOM 1477 CB PHE A 96 -0.776 -6.580 -2.917 1.00 4.20 C ATOM 1478 CG PHE A 96 -1.106 -7.649 -1.914 1.00 13.12 C ATOM 1479 CD1 PHE A 96 -0.473 -8.900 -1.985 1.00 45.43 C ATOM 1480 CD2 PHE A 96 -2.111 -7.411 -0.959 1.00 54.45 C ATOM 1481 CE1 PHE A 96 -0.883 -9.913 -1.101 1.00 62.24 C ATOM 1482 CE2 PHE A 96 -2.529 -8.436 -0.099 1.00 22.52 C ATOM 1483 CZ PHE A 96 -1.916 -9.696 -0.174 1.00 51.05 C ATOM 0 H PHE A 96 0.128 -7.085 -5.191 1.00 42.12 H new ATOM 0 HA PHE A 96 -2.515 -7.318 -3.967 1.00 10.30 H new ATOM 0 HB2 PHE A 96 0.281 -6.636 -3.176 1.00 4.20 H new ATOM 0 HB3 PHE A 96 -0.944 -5.598 -2.474 1.00 4.20 H new ATOM 0 HD1 PHE A 96 0.313 -9.080 -2.704 1.00 45.43 H new ATOM 0 HD2 PHE A 96 -2.563 -6.433 -0.888 1.00 54.45 H new ATOM 0 HE1 PHE A 96 -0.395 -10.876 -1.135 1.00 62.24 H new ATOM 0 HE2 PHE A 96 -3.318 -8.257 0.617 1.00 22.52 H new ATOM 0 HZ PHE A 96 -2.237 -10.495 0.478 1.00 51.05 H new ATOM 1493 N THR A 97 -2.986 -4.751 -3.932 1.00 12.00 N ATOM 1494 CA THR A 97 -3.073 -3.311 -3.776 1.00 30.34 C ATOM 1495 C THR A 97 -3.374 -3.111 -2.295 1.00 54.14 C ATOM 1496 O THR A 97 -3.976 -3.987 -1.665 1.00 32.24 O ATOM 1497 CB THR A 97 -4.147 -2.724 -4.710 1.00 14.03 C ATOM 1498 OG1 THR A 97 -3.906 -3.163 -6.040 1.00 1.24 O ATOM 1499 CG2 THR A 97 -4.253 -1.193 -4.737 1.00 22.13 C ATOM 0 H THR A 97 -3.693 -5.260 -3.402 1.00 12.00 H new ATOM 0 HA THR A 97 -2.160 -2.786 -4.057 1.00 30.34 H new ATOM 0 HB THR A 97 -5.090 -3.087 -4.300 1.00 14.03 H new ATOM 0 HG1 THR A 97 -3.048 -3.635 -6.078 1.00 1.24 H new ATOM 0 HG21 THR A 97 -5.041 -0.895 -5.428 1.00 22.13 H new ATOM 0 HG22 THR A 97 -4.489 -0.827 -3.738 1.00 22.13 H new ATOM 0 HG23 THR A 97 -3.304 -0.768 -5.064 1.00 22.13 H new ATOM 1507 N VAL A 98 -2.950 -1.981 -1.749 1.00 42.11 N ATOM 1508 CA VAL A 98 -3.348 -1.504 -0.440 1.00 12.04 C ATOM 1509 C VAL A 98 -3.851 -0.098 -0.699 1.00 32.43 C ATOM 1510 O VAL A 98 -3.132 0.706 -1.302 1.00 14.33 O ATOM 1511 CB VAL A 98 -2.160 -1.572 0.539 1.00 61.50 C ATOM 1512 CG1 VAL A 98 -2.380 -0.754 1.818 1.00 52.33 C ATOM 1513 CG2 VAL A 98 -1.898 -3.030 0.935 1.00 41.33 C ATOM 0 H VAL A 98 -2.299 -1.354 -2.222 1.00 42.11 H new ATOM 0 HA VAL A 98 -4.122 -2.105 0.036 1.00 12.04 H new ATOM 0 HB VAL A 98 -1.306 -1.143 0.015 1.00 61.50 H new ATOM 0 HG11 VAL A 98 -1.506 -0.845 2.463 1.00 52.33 H new ATOM 0 HG12 VAL A 98 -2.531 0.294 1.558 1.00 52.33 H new ATOM 0 HG13 VAL A 98 -3.259 -1.128 2.343 1.00 52.33 H new ATOM 0 HG21 VAL A 98 -1.057 -3.074 1.627 1.00 41.33 H new ATOM 0 HG22 VAL A 98 -2.786 -3.442 1.416 1.00 41.33 H new ATOM 0 HG23 VAL A 98 -1.665 -3.613 0.044 1.00 41.33 H new ATOM 1523 N CYS A 99 -5.083 0.166 -0.276 1.00 44.31 N ATOM 1524 CA CYS A 99 -5.687 1.475 -0.348 1.00 52.10 C ATOM 1525 C CYS A 99 -5.972 1.936 1.070 1.00 11.11 C ATOM 1526 O CYS A 99 -6.432 1.158 1.914 1.00 32.12 O ATOM 1527 CB CYS A 99 -6.967 1.448 -1.190 1.00 42.11 C ATOM 1528 SG CYS A 99 -6.854 0.463 -2.719 1.00 22.55 S ATOM 0 H CYS A 99 -5.693 -0.542 0.132 1.00 44.31 H new ATOM 0 HA CYS A 99 -5.007 2.173 -0.837 1.00 52.10 H new ATOM 0 HB2 CYS A 99 -7.779 1.053 -0.579 1.00 42.11 H new ATOM 0 HB3 CYS A 99 -7.234 2.472 -1.453 1.00 42.11 H new ATOM 0 HG CYS A 99 -7.059 1.232 -3.747 1.00 22.55 H new ATOM 1534 N VAL A 100 -5.674 3.204 1.313 1.00 2.15 N ATOM 1535 CA VAL A 100 -5.777 3.837 2.627 1.00 71.11 C ATOM 1536 C VAL A 100 -6.522 5.174 2.481 1.00 31.42 C ATOM 1537 O VAL A 100 -6.578 5.726 1.375 1.00 2.02 O ATOM 1538 CB VAL A 100 -4.366 3.962 3.260 1.00 11.45 C ATOM 1539 CG1 VAL A 100 -3.760 2.603 3.647 1.00 51.44 C ATOM 1540 CG2 VAL A 100 -3.343 4.645 2.339 1.00 24.45 C ATOM 0 H VAL A 100 -5.345 3.840 0.586 1.00 2.15 H new ATOM 0 HA VAL A 100 -6.361 3.228 3.317 1.00 71.11 H new ATOM 0 HB VAL A 100 -4.542 4.572 4.146 1.00 11.45 H new ATOM 0 HG11 VAL A 100 -2.773 2.756 4.084 1.00 51.44 H new ATOM 0 HG12 VAL A 100 -4.406 2.110 4.373 1.00 51.44 H new ATOM 0 HG13 VAL A 100 -3.670 1.978 2.758 1.00 51.44 H new ATOM 0 HG21 VAL A 100 -2.378 4.700 2.844 1.00 24.45 H new ATOM 0 HG22 VAL A 100 -3.239 4.069 1.420 1.00 24.45 H new ATOM 0 HG23 VAL A 100 -3.685 5.652 2.099 1.00 24.45 H new ATOM 1550 N GLU A 101 -7.132 5.691 3.552 1.00 24.33 N ATOM 1551 CA GLU A 101 -7.768 7.012 3.556 1.00 2.35 C ATOM 1552 C GLU A 101 -7.280 7.822 4.750 1.00 73.24 C ATOM 1553 O GLU A 101 -7.056 7.261 5.821 1.00 12.13 O ATOM 1554 CB GLU A 101 -9.298 6.892 3.570 1.00 14.14 C ATOM 1555 CG GLU A 101 -9.897 6.449 4.907 1.00 32.25 C ATOM 1556 CD GLU A 101 -11.379 6.120 4.752 1.00 30.35 C ATOM 1557 OE1 GLU A 101 -11.685 4.956 4.405 1.00 41.04 O ATOM 1558 OE2 GLU A 101 -12.239 7.017 4.915 1.00 14.41 O ATOM 0 H GLU A 101 -7.199 5.202 4.445 1.00 24.33 H new ATOM 0 HA GLU A 101 -7.487 7.531 2.640 1.00 2.35 H new ATOM 0 HB2 GLU A 101 -9.726 7.857 3.298 1.00 14.14 H new ATOM 0 HB3 GLU A 101 -9.599 6.182 2.800 1.00 14.14 H new ATOM 0 HG2 GLU A 101 -9.362 5.575 5.279 1.00 32.25 H new ATOM 0 HG3 GLU A 101 -9.770 7.239 5.647 1.00 32.25 H new ATOM 1565 N ALA A 102 -7.114 9.132 4.572 1.00 43.21 N ATOM 1566 CA ALA A 102 -6.653 10.044 5.604 1.00 34.21 C ATOM 1567 C ALA A 102 -7.489 11.326 5.572 1.00 54.22 C ATOM 1568 O ALA A 102 -6.995 12.363 5.137 1.00 41.32 O ATOM 1569 CB ALA A 102 -5.153 10.320 5.405 1.00 70.23 C ATOM 0 H ALA A 102 -7.302 9.594 3.683 1.00 43.21 H new ATOM 0 HA ALA A 102 -6.781 9.598 6.590 1.00 34.21 H new ATOM 0 HB1 ALA A 102 -4.803 11.004 6.178 1.00 70.23 H new ATOM 0 HB2 ALA A 102 -4.599 9.384 5.471 1.00 70.23 H new ATOM 0 HB3 ALA A 102 -4.992 10.768 4.424 1.00 70.23 H new ATOM 1575 N GLY A 103 -8.745 11.276 6.030 1.00 50.22 N ATOM 1576 CA GLY A 103 -9.581 12.462 6.236 1.00 71.21 C ATOM 1577 C GLY A 103 -10.098 13.061 4.929 1.00 25.23 C ATOM 1578 O GLY A 103 -11.284 12.960 4.598 1.00 2.44 O ATOM 0 H GLY A 103 -9.213 10.402 6.270 1.00 50.22 H new ATOM 0 HA2 GLY A 103 -10.428 12.197 6.868 1.00 71.21 H new ATOM 0 HA3 GLY A 103 -9.006 13.216 6.773 1.00 71.21 H new ATOM 1582 N ASN A 104 -9.193 13.714 4.205 1.00 65.41 N ATOM 1583 CA ASN A 104 -9.409 14.390 2.939 1.00 54.31 C ATOM 1584 C ASN A 104 -8.206 14.092 2.039 1.00 25.14 C ATOM 1585 O ASN A 104 -7.664 15.004 1.415 1.00 13.45 O ATOM 1586 CB ASN A 104 -9.572 15.909 3.143 1.00 22.21 C ATOM 1587 CG ASN A 104 -10.577 16.309 4.209 1.00 33.21 C ATOM 1588 OD1 ASN A 104 -10.213 16.535 5.360 1.00 54.30 O ATOM 1589 ND2 ASN A 104 -11.836 16.431 3.840 1.00 62.10 N ATOM 0 H ASN A 104 -8.223 13.787 4.513 1.00 65.41 H new ATOM 0 HA ASN A 104 -10.328 14.029 2.476 1.00 54.31 H new ATOM 0 HB2 ASN A 104 -8.602 16.332 3.403 1.00 22.21 H new ATOM 0 HB3 ASN A 104 -9.872 16.358 2.196 1.00 22.21 H new ATOM 0 HD21 ASN A 104 -12.540 16.721 4.518 1.00 62.10 H new ATOM 0 HD22 ASN A 104 -12.106 16.236 2.876 1.00 62.10 H new ATOM 1596 N ALA A 105 -7.730 12.844 2.017 1.00 65.11 N ATOM 1597 CA ALA A 105 -6.664 12.383 1.132 1.00 13.02 C ATOM 1598 C ALA A 105 -6.703 10.866 0.983 1.00 21.44 C ATOM 1599 O ALA A 105 -7.237 10.161 1.847 1.00 71.14 O ATOM 1600 CB ALA A 105 -5.303 12.771 1.709 1.00 52.23 C ATOM 0 H ALA A 105 -8.086 12.111 2.630 1.00 65.11 H new ATOM 0 HA ALA A 105 -6.812 12.850 0.158 1.00 13.02 H new ATOM 0 HB1 ALA A 105 -4.513 12.424 1.043 1.00 52.23 H new ATOM 0 HB2 ALA A 105 -5.245 13.855 1.806 1.00 52.23 H new ATOM 0 HB3 ALA A 105 -5.179 12.311 2.690 1.00 52.23 H new ATOM 1606 N PHE A 106 -6.071 10.367 -0.075 1.00 32.45 N ATOM 1607 CA PHE A 106 -5.921 8.955 -0.383 1.00 1.25 C ATOM 1608 C PHE A 106 -4.593 8.814 -1.111 1.00 31.11 C ATOM 1609 O PHE A 106 -4.258 9.692 -1.908 1.00 12.05 O ATOM 1610 CB PHE A 106 -7.049 8.504 -1.317 1.00 33.41 C ATOM 1611 CG PHE A 106 -8.442 8.849 -0.837 1.00 10.44 C ATOM 1612 CD1 PHE A 106 -9.076 8.045 0.125 1.00 25.11 C ATOM 1613 CD2 PHE A 106 -9.097 9.990 -1.338 1.00 32.14 C ATOM 1614 CE1 PHE A 106 -10.367 8.368 0.572 1.00 21.21 C ATOM 1615 CE2 PHE A 106 -10.383 10.319 -0.880 1.00 53.13 C ATOM 1616 CZ PHE A 106 -11.016 9.508 0.075 1.00 65.10 C ATOM 0 H PHE A 106 -5.630 10.967 -0.772 1.00 32.45 H new ATOM 0 HA PHE A 106 -5.956 8.350 0.523 1.00 1.25 H new ATOM 0 HB2 PHE A 106 -6.894 8.956 -2.297 1.00 33.41 H new ATOM 0 HB3 PHE A 106 -6.982 7.424 -1.450 1.00 33.41 H new ATOM 0 HD1 PHE A 106 -8.570 7.177 0.521 1.00 25.11 H new ATOM 0 HD2 PHE A 106 -8.610 10.612 -2.075 1.00 32.14 H new ATOM 0 HE1 PHE A 106 -10.860 7.739 1.298 1.00 21.21 H new ATOM 0 HE2 PHE A 106 -10.885 11.196 -1.262 1.00 53.13 H new ATOM 0 HZ PHE A 106 -12.005 9.762 0.428 1.00 65.10 H new ATOM 1626 N ASP A 107 -3.877 7.720 -0.876 1.00 72.12 N ATOM 1627 CA ASP A 107 -2.614 7.386 -1.527 1.00 23.14 C ATOM 1628 C ASP A 107 -2.588 5.858 -1.537 1.00 24.25 C ATOM 1629 O ASP A 107 -2.261 5.239 -0.527 1.00 3.15 O ATOM 1630 CB ASP A 107 -1.420 7.976 -0.745 1.00 31.22 C ATOM 1631 CG ASP A 107 -0.671 9.095 -1.469 1.00 25.13 C ATOM 1632 OD1 ASP A 107 -1.241 10.188 -1.673 1.00 64.41 O ATOM 1633 OD2 ASP A 107 0.540 8.905 -1.731 1.00 23.24 O ATOM 0 H ASP A 107 -4.171 7.014 -0.201 1.00 72.12 H new ATOM 0 HA ASP A 107 -2.534 7.799 -2.532 1.00 23.14 H new ATOM 0 HB2 ASP A 107 -1.782 8.358 0.209 1.00 31.22 H new ATOM 0 HB3 ASP A 107 -0.718 7.173 -0.521 1.00 31.22 H new ATOM 1638 N GLU A 108 -3.044 5.234 -2.622 1.00 12.22 N ATOM 1639 CA GLU A 108 -3.179 3.780 -2.722 1.00 71.54 C ATOM 1640 C GLU A 108 -2.174 3.239 -3.747 1.00 62.10 C ATOM 1641 O GLU A 108 -1.883 3.922 -4.738 1.00 13.01 O ATOM 1642 CB GLU A 108 -4.638 3.411 -3.014 1.00 71.34 C ATOM 1643 CG GLU A 108 -5.130 3.582 -4.446 1.00 44.10 C ATOM 1644 CD GLU A 108 -6.613 3.957 -4.528 1.00 1.23 C ATOM 1645 OE1 GLU A 108 -7.453 3.029 -4.608 1.00 45.02 O ATOM 1646 OE2 GLU A 108 -6.952 5.155 -4.653 1.00 3.31 O ATOM 0 H GLU A 108 -3.333 5.728 -3.466 1.00 12.22 H new ATOM 0 HA GLU A 108 -2.934 3.300 -1.774 1.00 71.54 H new ATOM 0 HB2 GLU A 108 -4.786 2.369 -2.729 1.00 71.34 H new ATOM 0 HB3 GLU A 108 -5.274 4.013 -2.365 1.00 71.34 H new ATOM 0 HG2 GLU A 108 -4.538 4.354 -4.938 1.00 44.10 H new ATOM 0 HG3 GLU A 108 -4.964 2.655 -4.995 1.00 44.10 H new ATOM 1653 N PHE A 109 -1.634 2.032 -3.523 1.00 4.32 N ATOM 1654 CA PHE A 109 -0.449 1.550 -4.249 1.00 23.54 C ATOM 1655 C PHE A 109 -0.604 0.102 -4.734 1.00 70.50 C ATOM 1656 O PHE A 109 -1.014 -0.775 -3.969 1.00 11.04 O ATOM 1657 CB PHE A 109 0.797 1.663 -3.352 1.00 43.31 C ATOM 1658 CG PHE A 109 1.032 3.014 -2.694 1.00 54.34 C ATOM 1659 CD1 PHE A 109 1.298 4.154 -3.478 1.00 65.10 C ATOM 1660 CD2 PHE A 109 0.968 3.139 -1.292 1.00 24.34 C ATOM 1661 CE1 PHE A 109 1.491 5.406 -2.864 1.00 64.50 C ATOM 1662 CE2 PHE A 109 1.167 4.390 -0.681 1.00 71.32 C ATOM 1663 CZ PHE A 109 1.425 5.524 -1.466 1.00 45.32 C ATOM 0 H PHE A 109 -2.001 1.368 -2.841 1.00 4.32 H new ATOM 0 HA PHE A 109 -0.336 2.180 -5.132 1.00 23.54 H new ATOM 0 HB2 PHE A 109 0.724 0.909 -2.569 1.00 43.31 H new ATOM 0 HB3 PHE A 109 1.674 1.417 -3.951 1.00 43.31 H new ATOM 0 HD1 PHE A 109 1.354 4.067 -4.553 1.00 65.10 H new ATOM 0 HD2 PHE A 109 0.765 2.270 -0.684 1.00 24.34 H new ATOM 0 HE1 PHE A 109 1.690 6.278 -3.469 1.00 64.50 H new ATOM 0 HE2 PHE A 109 1.121 4.478 0.394 1.00 71.32 H new ATOM 0 HZ PHE A 109 1.572 6.485 -0.996 1.00 45.32 H new ATOM 1673 N LYS A 110 -0.218 -0.169 -5.990 1.00 32.13 N ATOM 1674 CA LYS A 110 -0.149 -1.505 -6.598 1.00 41.00 C ATOM 1675 C LYS A 110 1.201 -2.121 -6.265 1.00 31.33 C ATOM 1676 O LYS A 110 2.186 -1.784 -6.910 1.00 71.20 O ATOM 1677 CB LYS A 110 -0.319 -1.415 -8.135 1.00 74.11 C ATOM 1678 CG LYS A 110 -1.718 -1.838 -8.594 1.00 13.22 C ATOM 1679 CD LYS A 110 -1.843 -3.342 -8.876 1.00 64.02 C ATOM 1680 CE LYS A 110 -1.323 -3.696 -10.278 1.00 25.42 C ATOM 1681 NZ LYS A 110 -1.798 -5.015 -10.756 1.00 51.41 N ATOM 0 H LYS A 110 0.066 0.568 -6.636 1.00 32.13 H new ATOM 0 HA LYS A 110 -0.954 -2.124 -6.202 1.00 41.00 H new ATOM 0 HB2 LYS A 110 -0.127 -0.392 -8.460 1.00 74.11 H new ATOM 0 HB3 LYS A 110 0.426 -2.048 -8.618 1.00 74.11 H new ATOM 0 HG2 LYS A 110 -2.442 -1.559 -7.829 1.00 13.22 H new ATOM 0 HG3 LYS A 110 -1.978 -1.285 -9.496 1.00 13.22 H new ATOM 0 HD2 LYS A 110 -1.283 -3.902 -8.127 1.00 64.02 H new ATOM 0 HD3 LYS A 110 -2.886 -3.645 -8.786 1.00 64.02 H new ATOM 0 HE2 LYS A 110 -1.639 -2.926 -10.982 1.00 25.42 H new ATOM 0 HE3 LYS A 110 -0.233 -3.691 -10.267 1.00 25.42 H new ATOM 0 HZ1 LYS A 110 -1.251 -5.298 -11.594 1.00 51.41 H new ATOM 0 HZ2 LYS A 110 -1.671 -5.723 -10.005 1.00 51.41 H new ATOM 0 HZ3 LYS A 110 -2.806 -4.952 -11.006 1.00 51.41 H new ATOM 1695 N PHE A 111 1.266 -3.031 -5.302 1.00 65.51 N ATOM 1696 CA PHE A 111 2.460 -3.840 -5.075 1.00 21.43 C ATOM 1697 C PHE A 111 2.281 -5.090 -5.915 1.00 70.52 C ATOM 1698 O PHE A 111 1.254 -5.738 -5.750 1.00 62.13 O ATOM 1699 CB PHE A 111 2.567 -4.225 -3.590 1.00 72.10 C ATOM 1700 CG PHE A 111 2.671 -3.072 -2.612 1.00 32.35 C ATOM 1701 CD1 PHE A 111 1.518 -2.368 -2.212 1.00 33.45 C ATOM 1702 CD2 PHE A 111 3.916 -2.740 -2.049 1.00 64.44 C ATOM 1703 CE1 PHE A 111 1.612 -1.343 -1.257 1.00 4.43 C ATOM 1704 CE2 PHE A 111 4.006 -1.714 -1.094 1.00 45.30 C ATOM 1705 CZ PHE A 111 2.856 -1.010 -0.698 1.00 65.53 C ATOM 0 H PHE A 111 0.499 -3.230 -4.659 1.00 65.51 H new ATOM 0 HA PHE A 111 3.366 -3.296 -5.343 1.00 21.43 H new ATOM 0 HB2 PHE A 111 1.694 -4.822 -3.326 1.00 72.10 H new ATOM 0 HB3 PHE A 111 3.441 -4.864 -3.463 1.00 72.10 H new ATOM 0 HD1 PHE A 111 0.559 -2.618 -2.641 1.00 33.45 H new ATOM 0 HD2 PHE A 111 4.804 -3.275 -2.351 1.00 64.44 H new ATOM 0 HE1 PHE A 111 0.724 -0.809 -0.951 1.00 4.43 H new ATOM 0 HE2 PHE A 111 4.964 -1.465 -0.662 1.00 45.30 H new ATOM 0 HZ PHE A 111 2.929 -0.217 0.032 1.00 65.53 H new ATOM 1715 N VAL A 112 3.182 -5.450 -6.827 1.00 62.32 N ATOM 1716 CA VAL A 112 2.981 -6.608 -7.658 1.00 2.14 C ATOM 1717 C VAL A 112 4.174 -7.543 -7.411 1.00 4.43 C ATOM 1718 O VAL A 112 5.277 -7.043 -7.163 1.00 64.20 O ATOM 1719 CB VAL A 112 2.848 -6.105 -9.096 1.00 1.10 C ATOM 1720 CG1 VAL A 112 2.006 -4.833 -9.292 1.00 51.14 C ATOM 1721 CG2 VAL A 112 4.102 -6.109 -9.934 1.00 34.24 C ATOM 0 H VAL A 112 4.054 -4.949 -7.000 1.00 62.32 H new ATOM 0 HA VAL A 112 2.079 -7.179 -7.438 1.00 2.14 H new ATOM 0 HB VAL A 112 2.245 -6.911 -9.514 1.00 1.10 H new ATOM 0 HG11 VAL A 112 1.983 -4.572 -10.350 1.00 51.14 H new ATOM 0 HG12 VAL A 112 0.990 -5.011 -8.940 1.00 51.14 H new ATOM 0 HG13 VAL A 112 2.448 -4.013 -8.725 1.00 51.14 H new ATOM 0 HG21 VAL A 112 3.875 -5.730 -10.931 1.00 34.24 H new ATOM 0 HG22 VAL A 112 4.854 -5.473 -9.467 1.00 34.24 H new ATOM 0 HG23 VAL A 112 4.485 -7.127 -10.011 1.00 34.24 H new ATOM 1731 N GLN A 113 3.982 -8.864 -7.439 1.00 23.11 N ATOM 1732 CA GLN A 113 5.038 -9.832 -7.167 1.00 51.04 C ATOM 1733 C GLN A 113 5.153 -10.858 -8.289 1.00 52.43 C ATOM 1734 O GLN A 113 4.151 -11.295 -8.855 1.00 61.52 O ATOM 1735 CB GLN A 113 4.796 -10.505 -5.812 1.00 3.24 C ATOM 1736 CG GLN A 113 6.042 -11.306 -5.406 1.00 5.33 C ATOM 1737 CD GLN A 113 5.918 -11.951 -4.041 1.00 33.14 C ATOM 1738 OE1 GLN A 113 4.868 -12.457 -3.683 1.00 23.51 O ATOM 1739 NE2 GLN A 113 6.990 -11.987 -3.274 1.00 70.23 N ATOM 0 H GLN A 113 3.081 -9.291 -7.653 1.00 23.11 H new ATOM 0 HA GLN A 113 5.990 -9.303 -7.122 1.00 51.04 H new ATOM 0 HB2 GLN A 113 4.572 -9.753 -5.056 1.00 3.24 H new ATOM 0 HB3 GLN A 113 3.930 -11.165 -5.871 1.00 3.24 H new ATOM 0 HG2 GLN A 113 6.227 -12.080 -6.151 1.00 5.33 H new ATOM 0 HG3 GLN A 113 6.909 -10.645 -5.411 1.00 5.33 H new ATOM 0 HE21 GLN A 113 7.859 -11.558 -3.592 1.00 70.23 H new ATOM 0 HE22 GLN A 113 6.950 -12.444 -2.363 1.00 70.23 H new ATOM 1748 N ASP A 114 6.390 -11.240 -8.596 1.00 4.10 N ATOM 1749 CA ASP A 114 6.690 -12.167 -9.688 1.00 70.13 C ATOM 1750 C ASP A 114 6.488 -13.636 -9.303 1.00 50.34 C ATOM 1751 O ASP A 114 6.209 -13.964 -8.146 1.00 62.55 O ATOM 1752 CB ASP A 114 8.082 -11.891 -10.277 1.00 73.15 C ATOM 1753 CG ASP A 114 7.922 -11.355 -11.698 1.00 25.33 C ATOM 1754 OD1 ASP A 114 7.463 -12.119 -12.573 1.00 2.41 O ATOM 1755 OD2 ASP A 114 8.170 -10.143 -11.914 1.00 25.11 O ATOM 0 H ASP A 114 7.216 -10.915 -8.094 1.00 4.10 H new ATOM 0 HA ASP A 114 5.960 -11.980 -10.476 1.00 70.13 H new ATOM 0 HB2 ASP A 114 8.616 -11.168 -9.660 1.00 73.15 H new ATOM 0 HB3 ASP A 114 8.676 -12.805 -10.284 1.00 73.15 H new ATOM 1760 N ALA A 115 6.578 -14.521 -10.298 1.00 14.40 N ATOM 1761 CA ALA A 115 6.554 -15.974 -10.149 1.00 12.34 C ATOM 1762 C ALA A 115 7.918 -16.479 -9.699 1.00 61.55 C ATOM 1763 O ALA A 115 8.944 -15.888 -10.037 1.00 70.25 O ATOM 1764 CB ALA A 115 6.236 -16.578 -11.513 1.00 23.42 C ATOM 0 H ALA A 115 6.674 -14.230 -11.271 1.00 14.40 H new ATOM 0 HA ALA A 115 5.808 -16.257 -9.406 1.00 12.34 H new ATOM 0 HB1 ALA A 115 6.211 -17.665 -11.433 1.00 23.42 H new ATOM 0 HB2 ALA A 115 5.265 -16.217 -11.853 1.00 23.42 H new ATOM 0 HB3 ALA A 115 7.004 -16.284 -12.229 1.00 23.42 H new ATOM 1770 N ALA A 116 7.945 -17.602 -8.984 1.00 70.11 N ATOM 1771 CA ALA A 116 9.177 -18.328 -8.742 1.00 2.20 C ATOM 1772 C ALA A 116 9.559 -19.081 -10.012 1.00 10.41 C ATOM 1773 O ALA A 116 8.719 -19.740 -10.635 1.00 52.32 O ATOM 1774 CB ALA A 116 8.982 -19.303 -7.586 1.00 74.52 C ATOM 0 H ALA A 116 7.119 -18.026 -8.562 1.00 70.11 H new ATOM 0 HA ALA A 116 9.975 -17.634 -8.477 1.00 2.20 H new ATOM 0 HB1 ALA A 116 9.910 -19.846 -7.408 1.00 74.52 H new ATOM 0 HB2 ALA A 116 8.706 -18.751 -6.687 1.00 74.52 H new ATOM 0 HB3 ALA A 116 8.190 -20.009 -7.835 1.00 74.52 H new ATOM 1780 N LYS A 117 10.846 -19.045 -10.353 1.00 71.13 N ATOM 1781 CA LYS A 117 11.395 -19.728 -11.521 1.00 74.45 C ATOM 1782 C LYS A 117 11.998 -21.068 -11.104 1.00 53.14 C ATOM 1783 O LYS A 117 13.172 -21.353 -11.361 1.00 54.03 O ATOM 1784 CB LYS A 117 12.354 -18.772 -12.233 1.00 32.21 C ATOM 1785 CG LYS A 117 12.720 -19.239 -13.649 1.00 33.22 C ATOM 1786 CD LYS A 117 13.103 -18.006 -14.461 1.00 24.10 C ATOM 1787 CE LYS A 117 13.822 -18.344 -15.762 1.00 72.33 C ATOM 1788 NZ LYS A 117 14.503 -17.146 -16.285 1.00 50.15 N ATOM 0 H LYS A 117 11.546 -18.533 -9.817 1.00 71.13 H new ATOM 0 HA LYS A 117 10.624 -19.985 -12.247 1.00 74.45 H new ATOM 0 HB2 LYS A 117 11.899 -17.783 -12.288 1.00 32.21 H new ATOM 0 HB3 LYS A 117 13.264 -18.672 -11.642 1.00 32.21 H new ATOM 0 HG2 LYS A 117 13.548 -19.947 -13.616 1.00 33.22 H new ATOM 0 HG3 LYS A 117 11.878 -19.755 -14.111 1.00 33.22 H new ATOM 0 HD2 LYS A 117 12.203 -17.435 -14.689 1.00 24.10 H new ATOM 0 HD3 LYS A 117 13.743 -17.364 -13.855 1.00 24.10 H new ATOM 0 HE2 LYS A 117 14.547 -19.139 -15.591 1.00 72.33 H new ATOM 0 HE3 LYS A 117 13.108 -18.717 -16.496 1.00 72.33 H new ATOM 0 HZ1 LYS A 117 14.991 -17.384 -17.172 1.00 50.15 H new ATOM 0 HZ2 LYS A 117 13.802 -16.399 -16.465 1.00 50.15 H new ATOM 0 HZ3 LYS A 117 15.197 -16.809 -15.588 1.00 50.15 H new ATOM 1802 N GLN A 118 11.190 -21.853 -10.393 1.00 50.44 N ATOM 1803 CA GLN A 118 11.418 -23.267 -10.159 1.00 21.30 C ATOM 1804 C GLN A 118 10.870 -23.970 -11.398 1.00 50.11 C ATOM 1805 O GLN A 118 11.504 -23.825 -12.463 1.00 43.13 O ATOM 1806 CB GLN A 118 10.823 -23.697 -8.792 1.00 44.33 C ATOM 1807 CG GLN A 118 9.414 -23.171 -8.449 1.00 51.24 C ATOM 1808 CD GLN A 118 9.014 -23.475 -7.001 1.00 22.41 C ATOM 1809 OE1 GLN A 118 8.659 -24.595 -6.645 1.00 71.42 O ATOM 1810 NE2 GLN A 118 9.002 -22.486 -6.122 1.00 3.42 N ATOM 0 H GLN A 118 10.337 -21.507 -9.954 1.00 50.44 H new ATOM 0 HA GLN A 118 12.467 -23.543 -10.052 1.00 21.30 H new ATOM 0 HB2 GLN A 118 10.796 -24.786 -8.761 1.00 44.33 H new ATOM 0 HB3 GLN A 118 11.507 -23.373 -8.007 1.00 44.33 H new ATOM 0 HG2 GLN A 118 9.381 -22.094 -8.614 1.00 51.24 H new ATOM 0 HG3 GLN A 118 8.687 -23.620 -9.126 1.00 51.24 H new ATOM 0 HE21 GLN A 118 9.294 -21.550 -6.403 1.00 3.42 H new ATOM 0 HE22 GLN A 118 8.701 -22.660 -5.163 1.00 3.42 H new TER 1819 GLN A 118