USER MOD reduce.3.24.130724 H: found=0, std=0, add=1113, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 936 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 86 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 144 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-1.8) USER MOD Set 2.1: A 119 ASN : amide:sc= -3.65! C(o=-3.7!,f=-4.8!) USER MOD Set 2.2: A 120 ASN : amide:sc= -0.0238 K(o=-3.7,f=-4.2!) USER MOD Set 3.1: A 75 THR OG1 : rot 171:sc= 0.317 USER MOD Set 3.2: A 90 TYR OH : rot 150:sc= 0.3 USER MOD Set 4.1: A 16 GLN : amide:sc= -2.88! K(o=-3.9!,f=-4.8) USER MOD Set 4.2: A 36 HIS : no HE2:sc= -1.04 K(o=-3.9,f=-6.1!) USER MOD Single : A 1 CYS N :NH3+ 167:sc= -0.0573 (180deg=-0.272) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 ASN : amide:sc= -1.28 X(o=-1.3,f=-0.98) USER MOD Single : A 11 THR OG1 : rot -58:sc= 1.01 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -122:sc= -0.36 (180deg=-4.86!) USER MOD Single : A 18 SER OG : rot 36:sc= 0.948 USER MOD Single : A 20 SER OG : rot 99:sc= 2.09 USER MOD Single : A 21 SER OG : rot 6:sc= 1.23 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.529 X(o=-0.53,f=-0.83) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.884 K(o=-0.88,f=-1.9) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc=-0.00726 X(o=-0.0073,f=-0.13) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -3 K(o=-3,f=-5!) USER MOD Single : A 55 SER OG : rot 70:sc= 0.0635 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -2.32 K(o=-2.3,f=-6.8!) USER MOD Single : A 66 THR OG1 : rot -38:sc= 0.382 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 71 THR OG1 : rot -70:sc= -1.17 USER MOD Single : A 76 GLN : amide:sc= -0.579 X(o=-0.58,f=-0.1) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 GLN : amide:sc= -4.47 K(o=-4.5,f=-9!) USER MOD Single : A 89 SER OG : rot 180:sc= -0.912 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= -2.21 X(o=-2.2,f=-2.4!) USER MOD Single : A 95 SER OG : rot -61:sc= 0.626 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 120:sc= -0.466 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= -0.688 X(o=-0.69,f=-0.6) USER MOD Single : A 116 ASN : amide:sc= -1.16 X(o=-1.2,f=-1.5) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 HIS : no HD1:sc= -0.705 X(o=-0.71,f=-0.93) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= -0.391 K(o=-0.39,f=-1.6) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 MET CE :methyl -128:sc= -0.445 (180deg=-1.53) USER MOD Single : A 135 TYR OH : rot 0:sc= -0.876 USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 145 ASN : amide:sc= -2.2! C(o=-2.2!,f=-5.7!) USER MOD Single : A 148 THR OG1 : rot -121:sc= -1.82 USER MOD ----------------------------------------------------------------- ATOM 74 N CYS A 1 2.323 14.518 -14.949 1.00 4.21 N ATOM 75 CA CYS A 1 2.022 14.437 -13.525 1.00 70.43 C ATOM 76 C CYS A 1 2.274 13.028 -12.995 1.00 32.24 C ATOM 77 O CYS A 1 1.691 12.617 -11.992 1.00 33.24 O ATOM 78 CB CYS A 1 0.569 14.837 -13.265 1.00 54.43 C ATOM 79 SG CYS A 1 0.223 15.303 -11.539 1.00 75.55 S ATOM 0 H1 CYS A 1 1.942 15.406 -15.334 1.00 4.21 H new ATOM 0 H2 CYS A 1 3.353 14.494 -15.088 1.00 4.21 H new ATOM 0 H3 CYS A 1 1.888 13.712 -15.442 1.00 4.21 H new ATOM 0 HA CYS A 1 2.682 15.128 -13.001 1.00 70.43 H new ATOM 0 HB2 CYS A 1 0.312 15.674 -13.914 1.00 54.43 H new ATOM 0 HB3 CYS A 1 -0.080 14.007 -13.543 1.00 54.43 H new ATOM 83 N SER A 2 3.149 12.293 -13.676 1.00 40.44 N ATOM 84 CA SER A 2 3.477 10.930 -13.277 1.00 63.42 C ATOM 85 C SER A 2 4.986 10.748 -13.157 1.00 31.12 C ATOM 86 O SER A 2 5.653 10.360 -14.115 1.00 51.12 O ATOM 87 CB SER A 2 2.910 9.930 -14.286 1.00 63.13 C ATOM 88 OG SER A 2 2.597 10.566 -15.514 1.00 11.25 O ATOM 0 H SER A 2 3.643 12.620 -14.507 1.00 40.44 H new ATOM 0 HA SER A 2 3.027 10.745 -12.301 1.00 63.42 H new ATOM 0 HB2 SER A 2 3.634 9.134 -14.459 1.00 63.13 H new ATOM 0 HB3 SER A 2 2.014 9.463 -13.876 1.00 63.13 H new ATOM 0 HG SER A 2 2.238 9.905 -16.142 1.00 11.25 H new ATOM 93 N GLU A 3 5.517 11.029 -11.971 1.00 30.15 N ATOM 94 CA GLU A 3 6.949 10.897 -11.725 1.00 3.13 C ATOM 95 C GLU A 3 7.233 9.734 -10.778 1.00 12.32 C ATOM 96 O GLU A 3 6.401 9.352 -9.956 1.00 75.55 O ATOM 97 CB GLU A 3 7.510 12.195 -11.140 1.00 23.33 C ATOM 98 CG GLU A 3 7.115 12.430 -9.691 1.00 3.33 C ATOM 99 CD GLU A 3 8.310 12.451 -8.757 1.00 24.22 C ATOM 100 OE1 GLU A 3 9.391 12.907 -9.187 1.00 64.35 O ATOM 101 OE2 GLU A 3 8.165 12.012 -7.597 1.00 65.23 O ATOM 0 H GLU A 3 4.978 11.349 -11.166 1.00 30.15 H new ATOM 0 HA GLU A 3 7.439 10.695 -12.678 1.00 3.13 H new ATOM 0 HB2 GLU A 3 8.597 12.176 -11.213 1.00 23.33 H new ATOM 0 HB3 GLU A 3 7.164 13.035 -11.743 1.00 23.33 H new ATOM 0 HG2 GLU A 3 6.581 13.377 -9.613 1.00 3.33 H new ATOM 0 HG3 GLU A 3 6.425 11.648 -9.375 1.00 3.33 H new ATOM 106 N PRO A 4 8.438 9.157 -10.896 1.00 42.04 N ATOM 107 CA PRO A 4 8.861 8.030 -10.061 1.00 31.44 C ATOM 108 C PRO A 4 9.091 8.438 -8.609 1.00 73.02 C ATOM 109 O PRO A 4 8.731 9.543 -8.200 1.00 61.23 O ATOM 110 CB PRO A 4 10.176 7.583 -10.704 1.00 52.33 C ATOM 111 CG PRO A 4 10.692 8.799 -11.392 1.00 54.13 C ATOM 112 CD PRO A 4 9.480 9.560 -11.856 1.00 35.44 C ATOM 0 HA PRO A 4 8.103 7.248 -10.021 1.00 31.44 H new ATOM 0 HB2 PRO A 4 10.881 7.223 -9.955 1.00 52.33 H new ATOM 0 HB3 PRO A 4 10.015 6.767 -11.409 1.00 52.33 H new ATOM 0 HG2 PRO A 4 11.296 9.403 -10.715 1.00 54.13 H new ATOM 0 HG3 PRO A 4 11.329 8.530 -12.234 1.00 54.13 H new ATOM 0 HD2 PRO A 4 9.650 10.637 -11.837 1.00 35.44 H new ATOM 0 HD3 PRO A 4 9.208 9.298 -12.878 1.00 35.44 H new ATOM 117 N LEU A 5 9.691 7.542 -7.835 1.00 11.04 N ATOM 118 CA LEU A 5 9.970 7.809 -6.428 1.00 4.10 C ATOM 119 C LEU A 5 11.471 7.932 -6.184 1.00 72.54 C ATOM 120 O LEU A 5 11.902 8.369 -5.118 1.00 23.24 O ATOM 121 CB LEU A 5 9.389 6.698 -5.552 1.00 42.35 C ATOM 122 CG LEU A 5 9.444 5.285 -6.135 1.00 42.35 C ATOM 123 CD1 LEU A 5 10.875 4.907 -6.482 1.00 25.45 C ATOM 124 CD2 LEU A 5 8.845 4.282 -5.160 1.00 1.23 C ATOM 0 H LEU A 5 9.994 6.623 -8.158 1.00 11.04 H new ATOM 0 HA LEU A 5 9.499 8.756 -6.163 1.00 4.10 H new ATOM 0 HB2 LEU A 5 9.921 6.698 -4.600 1.00 42.35 H new ATOM 0 HB3 LEU A 5 8.348 6.940 -5.336 1.00 42.35 H new ATOM 0 HG LEU A 5 8.853 5.267 -7.051 1.00 42.35 H new ATOM 0 HD11 LEU A 5 10.895 3.899 -6.895 1.00 25.45 H new ATOM 0 HD12 LEU A 5 11.268 5.609 -7.218 1.00 25.45 H new ATOM 0 HD13 LEU A 5 11.489 4.942 -5.582 1.00 25.45 H new ATOM 0 HD21 LEU A 5 8.893 3.282 -5.591 1.00 1.23 H new ATOM 0 HD22 LEU A 5 9.407 4.302 -4.227 1.00 1.23 H new ATOM 0 HD23 LEU A 5 7.805 4.543 -4.963 1.00 1.23 H new ATOM 135 N GLY A 6 12.261 7.548 -7.181 1.00 64.12 N ATOM 136 CA GLY A 6 13.705 7.625 -7.056 1.00 63.22 C ATOM 137 C GLY A 6 14.418 7.280 -8.347 1.00 44.31 C ATOM 138 O GLY A 6 15.411 6.552 -8.342 1.00 10.54 O ATOM 0 H GLY A 6 11.927 7.185 -8.074 1.00 64.12 H new ATOM 0 HA2 GLY A 6 13.987 8.632 -6.747 1.00 63.22 H new ATOM 0 HA3 GLY A 6 14.035 6.946 -6.270 1.00 63.22 H new ATOM 142 N LEU A 7 13.911 7.801 -9.459 1.00 40.24 N ATOM 143 CA LEU A 7 14.505 7.543 -10.767 1.00 71.21 C ATOM 144 C LEU A 7 14.768 8.847 -11.512 1.00 50.04 C ATOM 145 O LEU A 7 15.248 8.841 -12.647 1.00 74.34 O ATOM 146 CB LEU A 7 13.589 6.643 -11.597 1.00 74.44 C ATOM 147 CG LEU A 7 13.570 5.163 -11.210 1.00 53.53 C ATOM 148 CD1 LEU A 7 12.173 4.585 -11.378 1.00 35.24 C ATOM 149 CD2 LEU A 7 14.576 4.382 -12.043 1.00 12.42 C ATOM 0 H LEU A 7 13.089 8.405 -9.481 1.00 40.24 H new ATOM 0 HA LEU A 7 15.458 7.036 -10.612 1.00 71.21 H new ATOM 0 HB2 LEU A 7 12.572 7.029 -11.526 1.00 74.44 H new ATOM 0 HB3 LEU A 7 13.887 6.721 -12.643 1.00 74.44 H new ATOM 0 HG LEU A 7 13.852 5.077 -10.161 1.00 53.53 H new ATOM 0 HD11 LEU A 7 12.179 3.532 -11.098 1.00 35.24 H new ATOM 0 HD12 LEU A 7 11.476 5.126 -10.738 1.00 35.24 H new ATOM 0 HD13 LEU A 7 11.862 4.682 -12.418 1.00 35.24 H new ATOM 0 HD21 LEU A 7 14.549 3.331 -11.755 1.00 12.42 H new ATOM 0 HD22 LEU A 7 14.324 4.475 -13.099 1.00 12.42 H new ATOM 0 HD23 LEU A 7 15.576 4.780 -11.872 1.00 12.42 H new ATOM 160 N LYS A 8 14.453 9.966 -10.868 1.00 20.53 N ATOM 161 CA LYS A 8 14.659 11.279 -11.467 1.00 62.14 C ATOM 162 C LYS A 8 15.595 12.126 -10.612 1.00 12.42 C ATOM 163 O LYS A 8 16.761 12.316 -10.956 1.00 13.42 O ATOM 164 CB LYS A 8 13.319 11.998 -11.640 1.00 64.32 C ATOM 165 CG LYS A 8 12.678 11.771 -12.998 1.00 52.23 C ATOM 166 CD LYS A 8 11.403 12.583 -13.156 1.00 55.22 C ATOM 167 CE LYS A 8 11.658 13.877 -13.916 1.00 70.11 C ATOM 168 NZ LYS A 8 10.421 14.697 -14.043 1.00 44.45 N ATOM 0 H LYS A 8 14.053 9.989 -9.930 1.00 20.53 H new ATOM 0 HA LYS A 8 15.118 11.137 -12.445 1.00 62.14 H new ATOM 0 HB2 LYS A 8 12.633 11.662 -10.863 1.00 64.32 H new ATOM 0 HB3 LYS A 8 13.468 13.068 -11.492 1.00 64.32 H new ATOM 0 HG2 LYS A 8 13.383 12.042 -13.784 1.00 52.23 H new ATOM 0 HG3 LYS A 8 12.454 10.712 -13.123 1.00 52.23 H new ATOM 0 HD2 LYS A 8 10.656 11.991 -13.684 1.00 55.22 H new ATOM 0 HD3 LYS A 8 10.992 12.812 -12.173 1.00 55.22 H new ATOM 0 HE2 LYS A 8 12.426 14.455 -13.402 1.00 70.11 H new ATOM 0 HE3 LYS A 8 12.044 13.645 -14.909 1.00 70.11 H new ATOM 0 HZ1 LYS A 8 10.635 15.570 -14.566 1.00 44.45 H new ATOM 0 HZ2 LYS A 8 9.696 14.155 -14.556 1.00 44.45 H new ATOM 0 HZ3 LYS A 8 10.066 14.940 -13.096 1.00 44.45 H new ATOM 178 N ASN A 9 15.079 12.632 -9.497 1.00 62.34 N ATOM 179 CA ASN A 9 15.870 13.458 -8.594 1.00 73.13 C ATOM 180 C ASN A 9 15.960 12.820 -7.211 1.00 0.22 C ATOM 181 O ASN A 9 16.959 12.974 -6.509 1.00 43.53 O ATOM 182 CB ASN A 9 15.260 14.857 -8.482 1.00 40.41 C ATOM 183 CG ASN A 9 15.902 15.845 -9.438 1.00 41.05 C ATOM 184 OD1 ASN A 9 17.029 16.290 -9.224 1.00 31.03 O ATOM 185 ND2 ASN A 9 15.183 16.193 -10.499 1.00 4.42 N ATOM 0 H ASN A 9 14.115 12.484 -9.197 1.00 62.34 H new ATOM 0 HA ASN A 9 16.876 13.539 -9.005 1.00 73.13 H new ATOM 0 HB2 ASN A 9 14.190 14.802 -8.685 1.00 40.41 H new ATOM 0 HB3 ASN A 9 15.372 15.219 -7.460 1.00 40.41 H new ATOM 0 HD21 ASN A 9 15.561 16.855 -11.177 1.00 4.42 H new ATOM 0 HD22 ASN A 9 14.252 15.798 -10.636 1.00 4.42 H new ATOM 191 N ASN A 10 14.910 12.102 -6.827 1.00 2.22 N ATOM 192 CA ASN A 10 14.871 11.439 -5.528 1.00 51.41 C ATOM 193 C ASN A 10 15.991 10.411 -5.408 1.00 45.44 C ATOM 194 O ASN A 10 16.667 10.328 -4.382 1.00 71.25 O ATOM 195 CB ASN A 10 13.515 10.761 -5.320 1.00 33.35 C ATOM 196 CG ASN A 10 12.469 11.713 -4.774 1.00 53.43 C ATOM 197 OD1 ASN A 10 11.733 11.380 -3.847 1.00 63.13 O ATOM 198 ND2 ASN A 10 12.400 12.908 -5.350 1.00 1.12 N ATOM 0 H ASN A 10 14.075 11.964 -7.396 1.00 2.22 H new ATOM 0 HA ASN A 10 15.014 12.196 -4.756 1.00 51.41 H new ATOM 0 HB2 ASN A 10 13.168 10.350 -6.268 1.00 33.35 H new ATOM 0 HB3 ASN A 10 13.633 9.923 -4.633 1.00 33.35 H new ATOM 0 HD21 ASN A 10 11.716 13.592 -5.026 1.00 1.12 H new ATOM 0 HD22 ASN A 10 13.031 13.142 -6.117 1.00 1.12 H new ATOM 204 N THR A 11 16.184 9.627 -6.465 1.00 42.32 N ATOM 205 CA THR A 11 17.221 8.603 -6.479 1.00 50.04 C ATOM 206 C THR A 11 17.363 7.946 -5.111 1.00 22.42 C ATOM 207 O THR A 11 18.474 7.742 -4.622 1.00 11.10 O ATOM 208 CB THR A 11 18.582 9.189 -6.898 1.00 12.24 C ATOM 209 OG1 THR A 11 19.575 8.158 -6.917 1.00 21.24 O ATOM 210 CG2 THR A 11 19.012 10.295 -5.945 1.00 12.23 C ATOM 0 H THR A 11 15.635 9.682 -7.323 1.00 42.32 H new ATOM 0 HA THR A 11 16.916 7.853 -7.209 1.00 50.04 H new ATOM 0 HB THR A 11 18.478 9.611 -7.897 1.00 12.24 H new ATOM 0 HG1 THR A 11 19.635 7.746 -6.030 1.00 21.24 H new ATOM 0 HG21 THR A 11 19.976 10.693 -6.261 1.00 12.23 H new ATOM 0 HG22 THR A 11 18.269 11.092 -5.954 1.00 12.23 H new ATOM 0 HG23 THR A 11 19.099 9.892 -4.936 1.00 12.23 H new ATOM 218 N ILE A 12 16.231 7.615 -4.499 1.00 60.24 N ATOM 219 CA ILE A 12 16.230 6.979 -3.187 1.00 41.21 C ATOM 220 C ILE A 12 16.404 5.468 -3.309 1.00 71.15 C ATOM 221 O ILE A 12 15.754 4.807 -4.120 1.00 52.02 O ATOM 222 CB ILE A 12 14.927 7.274 -2.419 1.00 12.55 C ATOM 223 CG1 ILE A 12 14.753 8.782 -2.229 1.00 60.11 C ATOM 224 CG2 ILE A 12 14.933 6.563 -1.074 1.00 5.24 C ATOM 225 CD1 ILE A 12 15.802 9.405 -1.335 1.00 64.41 C ATOM 0 H ILE A 12 15.303 7.777 -4.890 1.00 60.24 H new ATOM 0 HA ILE A 12 17.071 7.396 -2.633 1.00 41.21 H new ATOM 0 HB ILE A 12 14.085 6.900 -3.002 1.00 12.55 H new ATOM 0 HG12 ILE A 12 14.783 9.268 -3.204 1.00 60.11 H new ATOM 0 HG13 ILE A 12 13.767 8.975 -1.807 1.00 60.11 H new ATOM 0 HG21 ILE A 12 14.006 6.781 -0.543 1.00 5.24 H new ATOM 0 HG22 ILE A 12 15.017 5.488 -1.231 1.00 5.24 H new ATOM 0 HG23 ILE A 12 15.780 6.910 -0.483 1.00 5.24 H new ATOM 0 HD11 ILE A 12 15.615 10.475 -1.246 1.00 64.41 H new ATOM 0 HD12 ILE A 12 15.758 8.946 -0.347 1.00 64.41 H new ATOM 0 HD13 ILE A 12 16.790 9.244 -1.766 1.00 64.41 H new ATOM 236 N PRO A 13 17.300 4.908 -2.485 1.00 31.45 N ATOM 237 CA PRO A 13 17.579 3.469 -2.479 1.00 23.30 C ATOM 238 C PRO A 13 16.414 2.655 -1.925 1.00 42.40 C ATOM 239 O PRO A 13 15.318 3.178 -1.727 1.00 62.53 O ATOM 240 CB PRO A 13 18.799 3.347 -1.563 1.00 1.02 C ATOM 241 CG PRO A 13 18.722 4.536 -0.668 1.00 43.33 C ATOM 242 CD PRO A 13 18.111 5.635 -1.493 1.00 51.14 C ATOM 0 HA PRO A 13 17.744 3.082 -3.485 1.00 23.30 H new ATOM 0 HB2 PRO A 13 18.774 2.419 -0.992 1.00 1.02 H new ATOM 0 HB3 PRO A 13 19.726 3.343 -2.137 1.00 1.02 H new ATOM 0 HG2 PRO A 13 18.114 4.324 0.212 1.00 43.33 H new ATOM 0 HG3 PRO A 13 19.712 4.820 -0.310 1.00 43.33 H new ATOM 0 HD2 PRO A 13 17.499 6.301 -0.885 1.00 51.14 H new ATOM 0 HD3 PRO A 13 18.874 6.250 -1.971 1.00 51.14 H new ATOM 247 N ASP A 14 16.660 1.373 -1.678 1.00 31.22 N ATOM 248 CA ASP A 14 15.631 0.487 -1.144 1.00 44.31 C ATOM 249 C ASP A 14 15.398 0.755 0.339 1.00 62.12 C ATOM 250 O ASP A 14 14.490 0.188 0.947 1.00 1.41 O ATOM 251 CB ASP A 14 16.029 -0.975 -1.355 1.00 35.34 C ATOM 252 CG ASP A 14 17.454 -1.256 -0.921 1.00 52.21 C ATOM 253 OD1 ASP A 14 17.926 -0.596 0.028 1.00 31.53 O ATOM 254 OD2 ASP A 14 18.099 -2.134 -1.533 1.00 11.01 O ATOM 0 H ASP A 14 17.562 0.924 -1.839 1.00 31.22 H new ATOM 0 HA ASP A 14 14.702 0.684 -1.680 1.00 44.31 H new ATOM 0 HB2 ASP A 14 15.349 -1.618 -0.796 1.00 35.34 H new ATOM 0 HB3 ASP A 14 15.916 -1.231 -2.409 1.00 35.34 H new ATOM 258 N SER A 15 16.224 1.622 0.915 1.00 22.33 N ATOM 259 CA SER A 15 16.111 1.962 2.329 1.00 62.23 C ATOM 260 C SER A 15 14.746 2.572 2.633 1.00 14.54 C ATOM 261 O SER A 15 14.315 2.610 3.785 1.00 33.31 O ATOM 262 CB SER A 15 17.219 2.936 2.731 1.00 35.33 C ATOM 263 OG SER A 15 17.389 2.963 4.138 1.00 52.43 O ATOM 0 H SER A 15 16.979 2.102 0.425 1.00 22.33 H new ATOM 0 HA SER A 15 16.217 1.045 2.908 1.00 62.23 H new ATOM 0 HB2 SER A 15 18.155 2.644 2.254 1.00 35.33 H new ATOM 0 HB3 SER A 15 16.976 3.936 2.372 1.00 35.33 H new ATOM 0 HG SER A 15 18.104 3.592 4.369 1.00 52.43 H new ATOM 268 N GLN A 16 14.072 3.049 1.591 1.00 34.14 N ATOM 269 CA GLN A 16 12.758 3.659 1.746 1.00 73.21 C ATOM 270 C GLN A 16 11.716 2.615 2.136 1.00 72.21 C ATOM 271 O GLN A 16 10.898 2.842 3.027 1.00 15.25 O ATOM 272 CB GLN A 16 12.339 4.355 0.450 1.00 71.43 C ATOM 273 CG GLN A 16 12.313 3.431 -0.756 1.00 31.12 C ATOM 274 CD GLN A 16 12.149 4.182 -2.062 1.00 52.42 C ATOM 275 OE1 GLN A 16 13.130 4.597 -2.682 1.00 75.30 O ATOM 276 NE2 GLN A 16 10.905 4.360 -2.491 1.00 61.25 N ATOM 0 H GLN A 16 14.415 3.024 0.631 1.00 34.14 H new ATOM 0 HA GLN A 16 12.821 4.399 2.544 1.00 73.21 H new ATOM 0 HB2 GLN A 16 11.349 4.790 0.585 1.00 71.43 H new ATOM 0 HB3 GLN A 16 13.025 5.179 0.252 1.00 71.43 H new ATOM 0 HG2 GLN A 16 13.237 2.854 -0.787 1.00 31.12 H new ATOM 0 HG3 GLN A 16 11.495 2.719 -0.646 1.00 31.12 H new ATOM 0 HE21 GLN A 16 10.121 4.000 -1.946 1.00 61.25 H new ATOM 0 HE22 GLN A 16 10.733 4.857 -3.365 1.00 61.25 H new ATOM 283 N MET A 17 11.752 1.470 1.463 1.00 0.42 N ATOM 284 CA MET A 17 10.812 0.390 1.739 1.00 54.03 C ATOM 285 C MET A 17 11.404 -0.606 2.731 1.00 14.41 C ATOM 286 O MET A 17 12.600 -0.893 2.697 1.00 31.35 O ATOM 287 CB MET A 17 10.431 -0.328 0.443 1.00 73.41 C ATOM 288 CG MET A 17 9.192 0.244 -0.226 1.00 41.24 C ATOM 289 SD MET A 17 9.562 1.060 -1.791 1.00 64.52 S ATOM 290 CE MET A 17 8.132 0.592 -2.763 1.00 4.44 C ATOM 0 H MET A 17 12.423 1.266 0.722 1.00 0.42 H new ATOM 0 HA MET A 17 9.916 0.826 2.180 1.00 54.03 H new ATOM 0 HB2 MET A 17 11.268 -0.273 -0.253 1.00 73.41 H new ATOM 0 HB3 MET A 17 10.264 -1.384 0.658 1.00 73.41 H new ATOM 0 HG2 MET A 17 8.475 -0.558 -0.400 1.00 41.24 H new ATOM 0 HG3 MET A 17 8.716 0.957 0.448 1.00 41.24 H new ATOM 0 HE1 MET A 17 8.458 0.062 -3.658 1.00 4.44 H new ATOM 0 HE2 MET A 17 7.486 -0.057 -2.171 1.00 4.44 H new ATOM 0 HE3 MET A 17 7.580 1.486 -3.052 1.00 4.44 H new ATOM 298 N SER A 18 10.559 -1.128 3.614 1.00 23.53 N ATOM 299 CA SER A 18 11.001 -2.089 4.618 1.00 62.35 C ATOM 300 C SER A 18 9.809 -2.818 5.233 1.00 13.10 C ATOM 301 O SER A 18 8.890 -2.193 5.760 1.00 32.12 O ATOM 302 CB SER A 18 11.802 -1.383 5.713 1.00 60.40 C ATOM 303 OG SER A 18 13.176 -1.315 5.376 1.00 22.11 O ATOM 0 H SER A 18 9.565 -0.902 3.655 1.00 23.53 H new ATOM 0 HA SER A 18 11.640 -2.823 4.127 1.00 62.35 H new ATOM 0 HB2 SER A 18 11.411 -0.377 5.863 1.00 60.40 H new ATOM 0 HB3 SER A 18 11.682 -1.915 6.657 1.00 60.40 H new ATOM 0 HG SER A 18 13.270 -1.178 4.410 1.00 22.11 H new ATOM 308 N ALA A 19 9.834 -4.145 5.161 1.00 1.14 N ATOM 309 CA ALA A 19 8.758 -4.960 5.712 1.00 54.10 C ATOM 310 C ALA A 19 9.262 -5.832 6.857 1.00 34.33 C ATOM 311 O ALA A 19 10.459 -5.873 7.139 1.00 4.42 O ATOM 312 CB ALA A 19 8.139 -5.822 4.622 1.00 75.45 C ATOM 0 H ALA A 19 10.587 -4.678 4.727 1.00 1.14 H new ATOM 0 HA ALA A 19 7.994 -4.291 6.109 1.00 54.10 H new ATOM 0 HB1 ALA A 19 7.337 -6.426 5.047 1.00 75.45 H new ATOM 0 HB2 ALA A 19 7.735 -5.182 3.838 1.00 75.45 H new ATOM 0 HB3 ALA A 19 8.901 -6.477 4.199 1.00 75.45 H new ATOM 318 N SER A 20 8.340 -6.528 7.515 1.00 24.15 N ATOM 319 CA SER A 20 8.691 -7.397 8.632 1.00 40.14 C ATOM 320 C SER A 20 9.823 -8.344 8.250 1.00 44.13 C ATOM 321 O SER A 20 10.778 -8.527 9.005 1.00 72.35 O ATOM 322 CB SER A 20 7.468 -8.200 9.084 1.00 14.33 C ATOM 323 OG SER A 20 7.301 -8.125 10.489 1.00 72.42 O ATOM 0 H SER A 20 7.345 -6.507 7.294 1.00 24.15 H new ATOM 0 HA SER A 20 9.030 -6.769 9.456 1.00 40.14 H new ATOM 0 HB2 SER A 20 6.575 -7.820 8.587 1.00 14.33 H new ATOM 0 HB3 SER A 20 7.581 -9.241 8.783 1.00 14.33 H new ATOM 0 HG SER A 20 6.619 -7.455 10.702 1.00 72.42 H new ATOM 328 N SER A 21 9.710 -8.946 7.070 1.00 63.41 N ATOM 329 CA SER A 21 10.721 -9.879 6.587 1.00 55.40 C ATOM 330 C SER A 21 10.531 -10.164 5.100 1.00 50.22 C ATOM 331 O SER A 21 9.662 -9.581 4.451 1.00 0.14 O ATOM 332 CB SER A 21 10.660 -11.186 7.380 1.00 13.32 C ATOM 333 OG SER A 21 11.278 -11.041 8.647 1.00 32.51 O ATOM 0 H SER A 21 8.928 -8.804 6.431 1.00 63.41 H new ATOM 0 HA SER A 21 11.700 -9.421 6.730 1.00 55.40 H new ATOM 0 HB2 SER A 21 9.621 -11.488 7.511 1.00 13.32 H new ATOM 0 HB3 SER A 21 11.154 -11.979 6.819 1.00 13.32 H new ATOM 0 HG SER A 21 11.530 -10.104 8.783 1.00 32.51 H new ATOM 338 N SER A 22 11.351 -11.065 4.568 1.00 10.41 N ATOM 339 CA SER A 22 11.278 -11.425 3.156 1.00 64.52 C ATOM 340 C SER A 22 11.314 -12.940 2.980 1.00 31.15 C ATOM 341 O SER A 22 11.715 -13.672 3.885 1.00 74.20 O ATOM 342 CB SER A 22 12.430 -10.783 2.383 1.00 15.43 C ATOM 343 OG SER A 22 13.268 -10.033 3.246 1.00 0.34 O ATOM 0 H SER A 22 12.073 -11.559 5.093 1.00 10.41 H new ATOM 0 HA SER A 22 10.333 -11.052 2.760 1.00 64.52 H new ATOM 0 HB2 SER A 22 13.014 -11.557 1.886 1.00 15.43 H new ATOM 0 HB3 SER A 22 12.032 -10.134 1.603 1.00 15.43 H new ATOM 0 HG SER A 22 13.998 -9.634 2.728 1.00 0.34 H new ATOM 348 N TYR A 23 10.892 -13.403 1.810 1.00 44.32 N ATOM 349 CA TYR A 23 10.874 -14.832 1.514 1.00 51.14 C ATOM 350 C TYR A 23 12.271 -15.431 1.637 1.00 41.11 C ATOM 351 O TYR A 23 12.429 -16.643 1.785 1.00 35.53 O ATOM 352 CB TYR A 23 10.323 -15.076 0.108 1.00 14.43 C ATOM 353 CG TYR A 23 10.509 -16.496 -0.377 1.00 52.13 C ATOM 354 CD1 TYR A 23 10.071 -17.573 0.383 1.00 53.21 C ATOM 355 CD2 TYR A 23 11.121 -16.760 -1.596 1.00 4.10 C ATOM 356 CE1 TYR A 23 10.239 -18.871 -0.056 1.00 23.52 C ATOM 357 CE2 TYR A 23 11.292 -18.056 -2.043 1.00 32.11 C ATOM 358 CZ TYR A 23 10.850 -19.109 -1.269 1.00 41.23 C ATOM 359 OH TYR A 23 11.017 -20.401 -1.710 1.00 0.35 O ATOM 0 H TYR A 23 10.557 -12.811 1.050 1.00 44.32 H new ATOM 0 HA TYR A 23 10.224 -15.320 2.241 1.00 51.14 H new ATOM 0 HB2 TYR A 23 9.260 -14.833 0.096 1.00 14.43 H new ATOM 0 HB3 TYR A 23 10.813 -14.396 -0.588 1.00 14.43 H new ATOM 0 HD1 TYR A 23 9.591 -17.392 1.333 1.00 53.21 H new ATOM 0 HD2 TYR A 23 11.469 -15.938 -2.204 1.00 4.10 H new ATOM 0 HE1 TYR A 23 9.893 -19.697 0.548 1.00 23.52 H new ATOM 0 HE2 TYR A 23 11.769 -18.244 -2.993 1.00 32.11 H new ATOM 0 HH TYR A 23 11.463 -20.394 -2.582 1.00 0.35 H new ATOM 534 N TYR A 34 16.956 -5.004 -0.016 1.00 65.22 N ATOM 535 CA TYR A 34 16.137 -6.162 -0.357 1.00 24.41 C ATOM 536 C TYR A 34 14.837 -5.731 -1.029 1.00 23.33 C ATOM 537 O TYR A 34 14.554 -6.083 -2.174 1.00 52.34 O ATOM 538 CB TYR A 34 15.828 -6.982 0.897 1.00 12.25 C ATOM 539 CG TYR A 34 16.457 -8.357 0.892 1.00 44.41 C ATOM 540 CD1 TYR A 34 16.284 -9.218 -0.185 1.00 71.31 C ATOM 541 CD2 TYR A 34 17.227 -8.795 1.963 1.00 52.01 C ATOM 542 CE1 TYR A 34 16.855 -10.475 -0.194 1.00 1.14 C ATOM 543 CE2 TYR A 34 17.803 -10.051 1.962 1.00 14.50 C ATOM 544 CZ TYR A 34 17.615 -10.887 0.881 1.00 62.52 C ATOM 545 OH TYR A 34 18.187 -12.139 0.876 1.00 14.41 O ATOM 0 HA TYR A 34 16.700 -6.779 -1.057 1.00 24.41 H new ATOM 0 HB2 TYR A 34 16.177 -6.435 1.773 1.00 12.25 H new ATOM 0 HB3 TYR A 34 14.747 -7.086 0.995 1.00 12.25 H new ATOM 0 HD1 TYR A 34 15.692 -8.898 -1.030 1.00 71.31 H new ATOM 0 HD2 TYR A 34 17.378 -8.143 2.810 1.00 52.01 H new ATOM 0 HE1 TYR A 34 16.707 -11.132 -1.038 1.00 1.14 H new ATOM 0 HE2 TYR A 34 18.397 -10.376 2.803 1.00 14.50 H new ATOM 0 HH TYR A 34 18.690 -12.272 1.706 1.00 14.41 H new ATOM 554 N PRO A 35 14.026 -4.951 -0.300 1.00 71.43 N ATOM 555 CA PRO A 35 12.742 -4.453 -0.803 1.00 21.03 C ATOM 556 C PRO A 35 12.916 -3.411 -1.903 1.00 4.12 C ATOM 557 O PRO A 35 14.014 -3.228 -2.430 1.00 71.21 O ATOM 558 CB PRO A 35 12.096 -3.823 0.433 1.00 53.11 C ATOM 559 CG PRO A 35 13.241 -3.453 1.312 1.00 53.44 C ATOM 560 CD PRO A 35 14.299 -4.494 1.073 1.00 30.34 C ATOM 0 HA PRO A 35 12.146 -5.246 -1.254 1.00 21.03 H new ATOM 0 HB2 PRO A 35 11.502 -2.948 0.167 1.00 53.11 H new ATOM 0 HB3 PRO A 35 11.426 -4.524 0.930 1.00 53.11 H new ATOM 0 HG2 PRO A 35 13.612 -2.457 1.071 1.00 53.44 H new ATOM 0 HG3 PRO A 35 12.940 -3.436 2.359 1.00 53.44 H new ATOM 0 HD2 PRO A 35 15.302 -4.076 1.165 1.00 30.34 H new ATOM 0 HD3 PRO A 35 14.227 -5.312 1.790 1.00 30.34 H new ATOM 565 N HIS A 36 11.826 -2.732 -2.246 1.00 2.42 N ATOM 566 CA HIS A 36 11.859 -1.708 -3.284 1.00 14.24 C ATOM 567 C HIS A 36 12.157 -2.324 -4.647 1.00 43.22 C ATOM 568 O HIS A 36 13.166 -2.006 -5.277 1.00 2.21 O ATOM 569 CB HIS A 36 12.910 -0.648 -2.950 1.00 41.24 C ATOM 570 CG HIS A 36 12.768 0.609 -3.754 1.00 20.43 C ATOM 571 ND1 HIS A 36 13.801 1.505 -3.937 1.00 33.10 N ATOM 572 CD2 HIS A 36 11.708 1.116 -4.425 1.00 31.24 C ATOM 573 CE1 HIS A 36 13.381 2.509 -4.685 1.00 73.31 C ATOM 574 NE2 HIS A 36 12.115 2.297 -4.995 1.00 71.44 N ATOM 0 H HIS A 36 10.910 -2.872 -1.821 1.00 2.42 H new ATOM 0 HA HIS A 36 10.877 -1.236 -3.326 1.00 14.24 H new ATOM 0 HB2 HIS A 36 12.842 -0.402 -1.890 1.00 41.24 H new ATOM 0 HB3 HIS A 36 13.902 -1.067 -3.117 1.00 41.24 H new ATOM 0 HD1 HIS A 36 14.742 1.407 -3.555 1.00 33.10 H new ATOM 0 HD2 HIS A 36 10.725 0.674 -4.499 1.00 31.24 H new ATOM 0 HE1 HIS A 36 13.972 3.359 -4.991 1.00 73.31 H new ATOM 581 N LEU A 37 11.273 -3.209 -5.097 1.00 0.32 N ATOM 582 CA LEU A 37 11.441 -3.871 -6.385 1.00 4.34 C ATOM 583 C LEU A 37 10.348 -3.450 -7.361 1.00 71.24 C ATOM 584 O LEU A 37 10.474 -3.637 -8.571 1.00 12.22 O ATOM 585 CB LEU A 37 11.424 -5.391 -6.206 1.00 52.44 C ATOM 586 CG LEU A 37 12.420 -5.959 -5.195 1.00 11.30 C ATOM 587 CD1 LEU A 37 13.712 -5.157 -5.210 1.00 2.50 C ATOM 588 CD2 LEU A 37 11.814 -5.970 -3.799 1.00 3.14 C ATOM 0 H LEU A 37 10.433 -3.484 -4.588 1.00 0.32 H new ATOM 0 HA LEU A 37 12.405 -3.571 -6.797 1.00 4.34 H new ATOM 0 HB2 LEU A 37 10.420 -5.690 -5.904 1.00 52.44 H new ATOM 0 HB3 LEU A 37 11.617 -5.853 -7.174 1.00 52.44 H new ATOM 0 HG LEU A 37 12.651 -6.986 -5.478 1.00 11.30 H new ATOM 0 HD11 LEU A 37 14.409 -5.576 -4.484 1.00 2.50 H new ATOM 0 HD12 LEU A 37 14.155 -5.200 -6.205 1.00 2.50 H new ATOM 0 HD13 LEU A 37 13.499 -4.120 -4.952 1.00 2.50 H new ATOM 0 HD21 LEU A 37 12.537 -6.377 -3.092 1.00 3.14 H new ATOM 0 HD22 LEU A 37 11.555 -4.952 -3.507 1.00 3.14 H new ATOM 0 HD23 LEU A 37 10.916 -6.588 -3.797 1.00 3.14 H new ATOM 599 N GLY A 38 9.273 -2.878 -6.827 1.00 12.23 N ATOM 600 CA GLY A 38 8.173 -2.437 -7.665 1.00 11.15 C ATOM 601 C GLY A 38 8.619 -1.476 -8.749 1.00 1.13 C ATOM 602 O GLY A 38 7.926 -1.293 -9.750 1.00 60.50 O ATOM 0 H GLY A 38 9.144 -2.712 -5.829 1.00 12.23 H new ATOM 0 HA2 GLY A 38 7.700 -3.305 -8.125 1.00 11.15 H new ATOM 0 HA3 GLY A 38 7.418 -1.955 -7.044 1.00 11.15 H new ATOM 606 N ARG A 39 9.780 -0.860 -8.550 1.00 74.01 N ATOM 607 CA ARG A 39 10.316 0.090 -9.517 1.00 52.22 C ATOM 608 C ARG A 39 10.275 -0.490 -10.928 1.00 14.44 C ATOM 609 O ARG A 39 10.442 -1.695 -11.121 1.00 0.10 O ATOM 610 CB ARG A 39 11.753 0.468 -9.150 1.00 40.13 C ATOM 611 CG ARG A 39 12.747 -0.665 -9.339 1.00 31.05 C ATOM 612 CD ARG A 39 14.181 -0.175 -9.211 1.00 51.24 C ATOM 613 NE ARG A 39 14.616 -0.109 -7.819 1.00 50.23 N ATOM 614 CZ ARG A 39 15.820 0.308 -7.443 1.00 40.35 C ATOM 615 NH1 ARG A 39 16.704 0.694 -8.353 1.00 74.43 N ATOM 616 NH2 ARG A 39 16.141 0.340 -6.157 1.00 72.01 N ATOM 0 H ARG A 39 10.367 -1.002 -7.728 1.00 74.01 H new ATOM 0 HA ARG A 39 9.695 0.985 -9.493 1.00 52.22 H new ATOM 0 HB2 ARG A 39 12.063 1.317 -9.759 1.00 40.13 H new ATOM 0 HB3 ARG A 39 11.780 0.794 -8.110 1.00 40.13 H new ATOM 0 HG2 ARG A 39 12.559 -1.442 -8.598 1.00 31.05 H new ATOM 0 HG3 ARG A 39 12.602 -1.118 -10.320 1.00 31.05 H new ATOM 0 HD2 ARG A 39 14.842 -0.841 -9.766 1.00 51.24 H new ATOM 0 HD3 ARG A 39 14.268 0.812 -9.665 1.00 51.24 H new ATOM 0 HE ARG A 39 13.959 -0.399 -7.095 1.00 50.23 H new ATOM 0 HH11 ARG A 39 16.460 0.671 -9.343 1.00 74.43 H new ATOM 0 HH12 ARG A 39 17.628 1.014 -8.063 1.00 74.43 H new ATOM 0 HH21 ARG A 39 15.463 0.044 -5.455 1.00 72.01 H new ATOM 0 HH22 ARG A 39 17.066 0.660 -5.870 1.00 72.01 H new ATOM 627 N LEU A 40 10.053 0.375 -11.911 1.00 13.13 N ATOM 628 CA LEU A 40 9.990 -0.049 -13.305 1.00 25.54 C ATOM 629 C LEU A 40 11.388 -0.280 -13.868 1.00 11.54 C ATOM 630 O LEU A 40 12.385 0.120 -13.265 1.00 73.44 O ATOM 631 CB LEU A 40 9.256 0.996 -14.146 1.00 63.42 C ATOM 632 CG LEU A 40 8.361 0.453 -15.261 1.00 21.03 C ATOM 633 CD1 LEU A 40 7.015 0.017 -14.703 1.00 75.02 C ATOM 634 CD2 LEU A 40 8.176 1.498 -16.352 1.00 74.42 C ATOM 0 H LEU A 40 9.913 1.375 -11.768 1.00 13.13 H new ATOM 0 HA LEU A 40 9.441 -0.990 -13.347 1.00 25.54 H new ATOM 0 HB2 LEU A 40 8.644 1.604 -13.480 1.00 63.42 H new ATOM 0 HB3 LEU A 40 9.997 1.659 -14.593 1.00 63.42 H new ATOM 0 HG LEU A 40 8.847 -0.419 -15.699 1.00 21.03 H new ATOM 0 HD11 LEU A 40 6.393 -0.366 -15.512 1.00 75.02 H new ATOM 0 HD12 LEU A 40 7.166 -0.765 -13.959 1.00 75.02 H new ATOM 0 HD13 LEU A 40 6.521 0.870 -14.238 1.00 75.02 H new ATOM 0 HD21 LEU A 40 7.537 1.095 -17.137 1.00 74.42 H new ATOM 0 HD22 LEU A 40 7.712 2.389 -15.928 1.00 74.42 H new ATOM 0 HD23 LEU A 40 9.147 1.760 -16.773 1.00 74.42 H new ATOM 645 N ASP A 41 11.455 -0.924 -15.028 1.00 42.20 N ATOM 646 CA ASP A 41 12.732 -1.204 -15.674 1.00 22.13 C ATOM 647 C ASP A 41 13.582 -2.139 -14.818 1.00 43.04 C ATOM 648 O ASP A 41 14.802 -1.998 -14.753 1.00 73.24 O ATOM 649 CB ASP A 41 13.491 0.096 -15.938 1.00 54.34 C ATOM 650 CG ASP A 41 14.439 -0.014 -17.117 1.00 60.34 C ATOM 651 OD1 ASP A 41 14.489 -1.097 -17.736 1.00 12.32 O ATOM 652 OD2 ASP A 41 15.129 0.981 -17.419 1.00 53.51 O ATOM 0 H ASP A 41 10.640 -1.262 -15.540 1.00 42.20 H new ATOM 0 HA ASP A 41 12.529 -1.696 -16.625 1.00 22.13 H new ATOM 0 HB2 ASP A 41 12.777 0.898 -16.124 1.00 54.34 H new ATOM 0 HB3 ASP A 41 14.055 0.371 -15.047 1.00 54.34 H new ATOM 656 N ASN A 42 12.926 -3.091 -14.162 1.00 0.24 N ATOM 657 CA ASN A 42 13.622 -4.047 -13.309 1.00 33.44 C ATOM 658 C ASN A 42 14.777 -4.706 -14.056 1.00 41.30 C ATOM 659 O ASN A 42 14.592 -5.256 -15.141 1.00 23.15 O ATOM 660 CB ASN A 42 12.649 -5.116 -12.806 1.00 1.52 C ATOM 661 CG ASN A 42 12.223 -6.072 -13.905 1.00 31.15 C ATOM 662 OD1 ASN A 42 12.824 -7.130 -14.089 1.00 62.31 O ATOM 663 ND2 ASN A 42 11.183 -5.701 -14.642 1.00 74.54 N ATOM 0 H ASN A 42 11.915 -3.221 -14.205 1.00 0.24 H new ATOM 0 HA ASN A 42 14.029 -3.504 -12.456 1.00 33.44 H new ATOM 0 HB2 ASN A 42 13.118 -5.680 -11.999 1.00 1.52 H new ATOM 0 HB3 ASN A 42 11.767 -4.632 -12.386 1.00 1.52 H new ATOM 0 HD21 ASN A 42 10.852 -6.302 -15.397 1.00 74.54 H new ATOM 0 HD22 ASN A 42 10.715 -4.815 -14.454 1.00 74.54 H new ATOM 669 N GLN A 43 15.967 -4.645 -13.468 1.00 52.41 N ATOM 670 CA GLN A 43 17.152 -5.235 -14.080 1.00 24.23 C ATOM 671 C GLN A 43 17.201 -6.739 -13.832 1.00 60.34 C ATOM 672 O GLN A 43 17.543 -7.515 -14.724 1.00 13.33 O ATOM 673 CB GLN A 43 18.418 -4.575 -13.530 1.00 4.13 C ATOM 674 CG GLN A 43 18.562 -4.697 -12.022 1.00 51.23 C ATOM 675 CD GLN A 43 19.186 -3.466 -11.394 1.00 42.53 C ATOM 676 OE1 GLN A 43 18.671 -2.356 -11.532 1.00 52.14 O ATOM 677 NE2 GLN A 43 20.302 -3.656 -10.700 1.00 73.51 N ATOM 0 H GLN A 43 16.136 -4.193 -12.569 1.00 52.41 H new ATOM 0 HA GLN A 43 17.098 -5.063 -15.155 1.00 24.23 H new ATOM 0 HB2 GLN A 43 19.289 -5.025 -14.007 1.00 4.13 H new ATOM 0 HB3 GLN A 43 18.415 -3.520 -13.802 1.00 4.13 H new ATOM 0 HG2 GLN A 43 17.581 -4.868 -11.580 1.00 51.23 H new ATOM 0 HG3 GLN A 43 19.173 -5.569 -11.788 1.00 51.23 H new ATOM 0 HE21 GLN A 43 20.694 -4.593 -10.611 1.00 73.51 H new ATOM 0 HE22 GLN A 43 20.767 -2.865 -10.255 1.00 73.51 H new ATOM 684 N GLY A 44 16.853 -7.146 -12.614 1.00 13.31 N ATOM 685 CA GLY A 44 16.865 -8.555 -12.272 1.00 31.42 C ATOM 686 C GLY A 44 15.717 -9.316 -12.905 1.00 72.15 C ATOM 687 O GLY A 44 15.816 -9.768 -14.046 1.00 43.15 O ATOM 0 H GLY A 44 16.563 -6.524 -11.859 1.00 13.31 H new ATOM 0 HA2 GLY A 44 17.809 -8.995 -12.593 1.00 31.42 H new ATOM 0 HA3 GLY A 44 16.815 -8.663 -11.189 1.00 31.42 H new ATOM 691 N LYS A 45 14.623 -9.458 -12.164 1.00 1.31 N ATOM 692 CA LYS A 45 13.450 -10.170 -12.659 1.00 53.42 C ATOM 693 C LYS A 45 12.327 -10.151 -11.627 1.00 53.13 C ATOM 694 O LYS A 45 11.148 -10.147 -11.980 1.00 63.13 O ATOM 695 CB LYS A 45 13.814 -11.615 -13.007 1.00 50.25 C ATOM 696 CG LYS A 45 14.297 -12.424 -11.816 1.00 41.32 C ATOM 697 CD LYS A 45 15.705 -12.026 -11.406 1.00 65.24 C ATOM 698 CE LYS A 45 16.467 -13.204 -10.819 1.00 35.12 C ATOM 699 NZ LYS A 45 17.487 -13.732 -11.767 1.00 3.13 N ATOM 0 H LYS A 45 14.524 -9.089 -11.218 1.00 1.31 H new ATOM 0 HA LYS A 45 13.101 -9.664 -13.559 1.00 53.42 H new ATOM 0 HB2 LYS A 45 12.943 -12.106 -13.440 1.00 50.25 H new ATOM 0 HB3 LYS A 45 14.590 -11.611 -13.772 1.00 50.25 H new ATOM 0 HG2 LYS A 45 13.618 -12.278 -10.976 1.00 41.32 H new ATOM 0 HG3 LYS A 45 14.275 -13.485 -12.063 1.00 41.32 H new ATOM 0 HD2 LYS A 45 16.242 -11.639 -12.272 1.00 65.24 H new ATOM 0 HD3 LYS A 45 15.658 -11.220 -10.674 1.00 65.24 H new ATOM 0 HE2 LYS A 45 16.955 -12.896 -9.894 1.00 35.12 H new ATOM 0 HE3 LYS A 45 15.766 -13.998 -10.561 1.00 35.12 H new ATOM 0 HZ1 LYS A 45 17.985 -14.534 -11.330 1.00 3.13 H new ATOM 0 HZ2 LYS A 45 17.019 -14.049 -12.640 1.00 3.13 H new ATOM 0 HZ3 LYS A 45 18.171 -12.982 -11.994 1.00 3.13 H new ATOM 709 N ILE A 46 12.701 -10.139 -10.352 1.00 11.01 N ATOM 710 CA ILE A 46 11.725 -10.118 -9.270 1.00 4.33 C ATOM 711 C ILE A 46 10.696 -9.012 -9.480 1.00 74.24 C ATOM 712 O ILE A 46 9.509 -9.281 -9.661 1.00 44.10 O ATOM 713 CB ILE A 46 12.404 -9.919 -7.903 1.00 34.23 C ATOM 714 CG1 ILE A 46 13.581 -10.885 -7.749 1.00 31.22 C ATOM 715 CG2 ILE A 46 11.399 -10.117 -6.778 1.00 53.12 C ATOM 716 CD1 ILE A 46 14.932 -10.216 -7.872 1.00 14.40 C ATOM 0 H ILE A 46 13.673 -10.143 -10.043 1.00 11.01 H new ATOM 0 HA ILE A 46 11.223 -11.085 -9.279 1.00 4.33 H new ATOM 0 HB ILE A 46 12.785 -8.899 -7.848 1.00 34.23 H new ATOM 0 HG12 ILE A 46 13.514 -11.374 -6.777 1.00 31.22 H new ATOM 0 HG13 ILE A 46 13.501 -11.666 -8.505 1.00 31.22 H new ATOM 0 HG21 ILE A 46 11.895 -9.973 -5.818 1.00 53.12 H new ATOM 0 HG22 ILE A 46 10.590 -9.394 -6.881 1.00 53.12 H new ATOM 0 HG23 ILE A 46 10.991 -11.127 -6.828 1.00 53.12 H new ATOM 0 HD11 ILE A 46 15.719 -10.961 -7.752 1.00 14.40 H new ATOM 0 HD12 ILE A 46 15.019 -9.750 -8.854 1.00 14.40 H new ATOM 0 HD13 ILE A 46 15.033 -9.454 -7.099 1.00 14.40 H new ATOM 727 N ASN A 47 11.160 -7.767 -9.454 1.00 74.24 N ATOM 728 CA ASN A 47 10.280 -6.619 -9.642 1.00 23.34 C ATOM 729 C ASN A 47 9.079 -6.695 -8.704 1.00 53.31 C ATOM 730 O ASN A 47 7.961 -6.346 -9.082 1.00 64.30 O ATOM 731 CB ASN A 47 9.803 -6.549 -11.094 1.00 13.32 C ATOM 732 CG ASN A 47 9.090 -5.246 -11.406 1.00 21.25 C ATOM 733 OD1 ASN A 47 9.631 -4.163 -11.188 1.00 52.20 O ATOM 734 ND2 ASN A 47 7.870 -5.349 -11.919 1.00 22.31 N ATOM 0 H ASN A 47 12.140 -7.527 -9.305 1.00 74.24 H new ATOM 0 HA ASN A 47 10.845 -5.717 -9.408 1.00 23.34 H new ATOM 0 HB2 ASN A 47 10.658 -6.661 -11.760 1.00 13.32 H new ATOM 0 HB3 ASN A 47 9.132 -7.384 -11.294 1.00 13.32 H new ATOM 0 HD21 ASN A 47 7.341 -4.508 -12.150 1.00 22.31 H new ATOM 0 HD22 ASN A 47 7.462 -6.269 -12.083 1.00 22.31 H new ATOM 740 N ALA A 48 9.320 -7.151 -7.479 1.00 52.31 N ATOM 741 CA ALA A 48 8.260 -7.270 -6.486 1.00 63.20 C ATOM 742 C ALA A 48 8.808 -7.777 -5.157 1.00 73.20 C ATOM 743 O ALA A 48 9.603 -8.716 -5.120 1.00 34.32 O ATOM 744 CB ALA A 48 7.163 -8.193 -6.994 1.00 64.34 C ATOM 0 H ALA A 48 10.240 -7.444 -7.151 1.00 52.31 H new ATOM 0 HA ALA A 48 7.838 -6.279 -6.320 1.00 63.20 H new ATOM 0 HB1 ALA A 48 6.378 -8.273 -6.242 1.00 64.34 H new ATOM 0 HB2 ALA A 48 6.744 -7.788 -7.915 1.00 64.34 H new ATOM 0 HB3 ALA A 48 7.580 -9.181 -7.189 1.00 64.34 H new ATOM 750 N TRP A 49 8.378 -7.150 -4.067 1.00 22.02 N ATOM 751 CA TRP A 49 8.827 -7.538 -2.735 1.00 73.21 C ATOM 752 C TRP A 49 8.064 -8.762 -2.240 1.00 34.43 C ATOM 753 O TRP A 49 6.855 -8.877 -2.441 1.00 11.12 O ATOM 754 CB TRP A 49 8.645 -6.377 -1.755 1.00 2.13 C ATOM 755 CG TRP A 49 8.569 -6.816 -0.324 1.00 15.32 C ATOM 756 CD1 TRP A 49 9.601 -6.885 0.568 1.00 21.42 C ATOM 757 CD2 TRP A 49 7.398 -7.245 0.379 1.00 32.20 C ATOM 758 NE1 TRP A 49 9.142 -7.333 1.784 1.00 53.32 N ATOM 759 CE2 TRP A 49 7.795 -7.559 1.694 1.00 23.51 C ATOM 760 CE3 TRP A 49 6.054 -7.393 0.027 1.00 74.32 C ATOM 761 CZ2 TRP A 49 6.894 -8.014 2.654 1.00 73.23 C ATOM 762 CZ3 TRP A 49 5.162 -7.843 0.981 1.00 25.34 C ATOM 763 CH2 TRP A 49 5.584 -8.149 2.282 1.00 2.35 C ATOM 0 H TRP A 49 7.719 -6.371 -4.080 1.00 22.02 H new ATOM 0 HA TRP A 49 9.885 -7.792 -2.794 1.00 73.21 H new ATOM 0 HB2 TRP A 49 9.475 -5.680 -1.870 1.00 2.13 H new ATOM 0 HB3 TRP A 49 7.735 -5.834 -2.010 1.00 2.13 H new ATOM 0 HD1 TRP A 49 10.627 -6.626 0.350 1.00 21.42 H new ATOM 0 HE1 TRP A 49 9.712 -7.474 2.618 1.00 53.32 H new ATOM 0 HE3 TRP A 49 5.719 -7.160 -0.973 1.00 74.32 H new ATOM 0 HZ2 TRP A 49 7.218 -8.252 3.656 1.00 73.23 H new ATOM 0 HZ3 TRP A 49 4.121 -7.961 0.720 1.00 25.34 H new ATOM 0 HH2 TRP A 49 4.861 -8.498 3.005 1.00 2.35 H new ATOM 773 N THR A 50 8.779 -9.676 -1.588 1.00 43.33 N ATOM 774 CA THR A 50 8.169 -10.892 -1.065 1.00 34.03 C ATOM 775 C THR A 50 8.177 -10.897 0.460 1.00 5.03 C ATOM 776 O THR A 50 9.047 -10.294 1.088 1.00 41.05 O ATOM 777 CB THR A 50 8.897 -12.149 -1.575 1.00 42.40 C ATOM 778 OG1 THR A 50 9.462 -11.898 -2.867 1.00 43.00 O ATOM 779 CG2 THR A 50 7.943 -13.331 -1.655 1.00 4.45 C ATOM 0 H THR A 50 9.780 -9.596 -1.410 1.00 43.33 H new ATOM 0 HA THR A 50 7.139 -10.909 -1.421 1.00 34.03 H new ATOM 0 HB THR A 50 9.693 -12.391 -0.871 1.00 42.40 H new ATOM 0 HG1 THR A 50 9.925 -12.702 -3.183 1.00 43.00 H new ATOM 0 HG21 THR A 50 8.480 -14.208 -2.018 1.00 4.45 H new ATOM 0 HG22 THR A 50 7.537 -13.538 -0.665 1.00 4.45 H new ATOM 0 HG23 THR A 50 7.128 -13.095 -2.340 1.00 4.45 H new ATOM 787 N ALA A 51 7.204 -11.585 1.049 1.00 2.52 N ATOM 788 CA ALA A 51 7.101 -11.671 2.500 1.00 21.20 C ATOM 789 C ALA A 51 7.741 -12.954 3.020 1.00 10.43 C ATOM 790 O ALA A 51 8.107 -13.834 2.243 1.00 1.21 O ATOM 791 CB ALA A 51 5.644 -11.595 2.931 1.00 14.11 C ATOM 0 H ALA A 51 6.476 -12.090 0.543 1.00 2.52 H new ATOM 0 HA ALA A 51 7.640 -10.826 2.929 1.00 21.20 H new ATOM 0 HB1 ALA A 51 5.582 -11.660 4.017 1.00 14.11 H new ATOM 0 HB2 ALA A 51 5.215 -10.649 2.599 1.00 14.11 H new ATOM 0 HB3 ALA A 51 5.089 -12.421 2.486 1.00 14.11 H new ATOM 797 N GLN A 52 7.874 -13.050 4.339 1.00 24.52 N ATOM 798 CA GLN A 52 8.472 -14.226 4.962 1.00 43.41 C ATOM 799 C GLN A 52 7.426 -15.025 5.733 1.00 0.21 C ATOM 800 O GLN A 52 7.446 -16.255 5.731 1.00 23.12 O ATOM 801 CB GLN A 52 9.606 -13.810 5.900 1.00 4.05 C ATOM 802 CG GLN A 52 10.572 -14.938 6.225 1.00 23.20 C ATOM 803 CD GLN A 52 10.338 -15.528 7.601 1.00 33.43 C ATOM 804 OE1 GLN A 52 10.282 -14.805 8.597 1.00 34.10 O ATOM 805 NE2 GLN A 52 10.201 -16.847 7.666 1.00 10.45 N ATOM 0 H GLN A 52 7.576 -12.329 4.996 1.00 24.52 H new ATOM 0 HA GLN A 52 8.876 -14.859 4.172 1.00 43.41 H new ATOM 0 HB2 GLN A 52 10.160 -12.989 5.445 1.00 4.05 H new ATOM 0 HB3 GLN A 52 9.178 -13.431 6.828 1.00 4.05 H new ATOM 0 HG2 GLN A 52 10.473 -15.723 5.476 1.00 23.20 H new ATOM 0 HG3 GLN A 52 11.594 -14.565 6.163 1.00 23.20 H new ATOM 0 HE21 GLN A 52 10.254 -17.408 6.816 1.00 10.45 H new ATOM 0 HE22 GLN A 52 10.042 -17.300 8.566 1.00 10.45 H new ATOM 812 N SER A 53 6.514 -14.317 6.391 1.00 33.10 N ATOM 813 CA SER A 53 5.463 -14.961 7.170 1.00 72.00 C ATOM 814 C SER A 53 4.392 -15.547 6.256 1.00 65.02 C ATOM 815 O SER A 53 3.913 -16.659 6.476 1.00 32.14 O ATOM 816 CB SER A 53 4.830 -13.959 8.138 1.00 52.13 C ATOM 817 OG SER A 53 5.718 -13.641 9.195 1.00 14.22 O ATOM 0 H SER A 53 6.482 -13.298 6.400 1.00 33.10 H new ATOM 0 HA SER A 53 5.913 -15.773 7.741 1.00 72.00 H new ATOM 0 HB2 SER A 53 4.559 -13.050 7.600 1.00 52.13 H new ATOM 0 HB3 SER A 53 3.908 -14.375 8.546 1.00 52.13 H new ATOM 0 HG SER A 53 5.291 -12.998 9.799 1.00 14.22 H new ATOM 822 N ASN A 54 4.020 -14.791 5.228 1.00 2.22 N ATOM 823 CA ASN A 54 3.005 -15.235 4.280 1.00 4.12 C ATOM 824 C ASN A 54 1.742 -15.688 5.006 1.00 15.34 C ATOM 825 O ASN A 54 1.115 -16.675 4.625 1.00 23.30 O ATOM 826 CB ASN A 54 3.548 -16.376 3.418 1.00 65.44 C ATOM 827 CG ASN A 54 5.056 -16.503 3.509 1.00 21.22 C ATOM 828 OD1 ASN A 54 5.793 -15.702 2.935 1.00 32.12 O ATOM 829 ND2 ASN A 54 5.521 -17.515 4.234 1.00 0.51 N ATOM 0 H ASN A 54 4.406 -13.868 5.030 1.00 2.22 H new ATOM 0 HA ASN A 54 2.750 -14.392 3.638 1.00 4.12 H new ATOM 0 HB2 ASN A 54 3.088 -17.314 3.730 1.00 65.44 H new ATOM 0 HB3 ASN A 54 3.262 -16.210 2.379 1.00 65.44 H new ATOM 0 HD21 ASN A 54 6.527 -17.652 4.332 1.00 0.51 H new ATOM 0 HD22 ASN A 54 4.872 -18.155 4.692 1.00 0.51 H new ATOM 835 N SER A 55 1.376 -14.957 6.055 1.00 23.40 N ATOM 836 CA SER A 55 0.191 -15.285 6.838 1.00 64.44 C ATOM 837 C SER A 55 -0.646 -14.038 7.106 1.00 45.14 C ATOM 838 O SER A 55 -1.388 -13.973 8.086 1.00 42.42 O ATOM 839 CB SER A 55 0.591 -15.938 8.162 1.00 15.15 C ATOM 840 OG SER A 55 1.096 -17.246 7.955 1.00 53.43 O ATOM 0 H SER A 55 1.883 -14.134 6.381 1.00 23.40 H new ATOM 0 HA SER A 55 -0.410 -15.988 6.262 1.00 64.44 H new ATOM 0 HB2 SER A 55 1.346 -15.328 8.658 1.00 15.15 H new ATOM 0 HB3 SER A 55 -0.272 -15.979 8.826 1.00 15.15 H new ATOM 0 HG SER A 55 1.971 -17.193 7.517 1.00 53.43 H new ATOM 845 N ALA A 56 -0.519 -13.049 6.227 1.00 44.35 N ATOM 846 CA ALA A 56 -1.265 -11.804 6.365 1.00 51.11 C ATOM 847 C ALA A 56 -0.653 -10.916 7.443 1.00 54.15 C ATOM 848 O ALA A 56 -0.440 -9.722 7.232 1.00 73.52 O ATOM 849 CB ALA A 56 -2.724 -12.095 6.683 1.00 74.40 C ATOM 0 H ALA A 56 0.093 -13.086 5.412 1.00 44.35 H new ATOM 0 HA ALA A 56 -1.212 -11.269 5.417 1.00 51.11 H new ATOM 0 HB1 ALA A 56 -3.269 -11.156 6.783 1.00 74.40 H new ATOM 0 HB2 ALA A 56 -3.162 -12.684 5.877 1.00 74.40 H new ATOM 0 HB3 ALA A 56 -2.788 -12.653 7.617 1.00 74.40 H new ATOM 855 N LYS A 57 -0.372 -11.506 8.600 1.00 53.34 N ATOM 856 CA LYS A 57 0.216 -10.769 9.712 1.00 35.43 C ATOM 857 C LYS A 57 1.345 -9.864 9.229 1.00 55.14 C ATOM 858 O LYS A 57 1.563 -8.783 9.776 1.00 34.52 O ATOM 859 CB LYS A 57 0.744 -11.739 10.771 1.00 32.23 C ATOM 860 CG LYS A 57 -0.343 -12.567 11.434 1.00 65.25 C ATOM 861 CD LYS A 57 -0.109 -14.056 11.233 1.00 74.21 C ATOM 862 CE LYS A 57 -0.889 -14.883 12.245 1.00 13.40 C ATOM 863 NZ LYS A 57 -1.222 -16.234 11.716 1.00 61.33 N ATOM 0 H LYS A 57 -0.542 -12.493 8.792 1.00 53.34 H new ATOM 0 HA LYS A 57 -0.562 -10.146 10.154 1.00 35.43 H new ATOM 0 HB2 LYS A 57 1.468 -12.409 10.308 1.00 32.23 H new ATOM 0 HB3 LYS A 57 1.276 -11.174 11.536 1.00 32.23 H new ATOM 0 HG2 LYS A 57 -0.373 -12.343 12.500 1.00 65.25 H new ATOM 0 HG3 LYS A 57 -1.314 -12.291 11.023 1.00 65.25 H new ATOM 0 HD2 LYS A 57 -0.406 -14.339 10.223 1.00 74.21 H new ATOM 0 HD3 LYS A 57 0.955 -14.274 11.325 1.00 74.21 H new ATOM 0 HE2 LYS A 57 -0.304 -14.985 13.159 1.00 13.40 H new ATOM 0 HE3 LYS A 57 -1.808 -14.360 12.511 1.00 13.40 H new ATOM 0 HZ1 LYS A 57 -1.753 -16.767 12.434 1.00 61.33 H new ATOM 0 HZ2 LYS A 57 -1.801 -16.138 10.858 1.00 61.33 H new ATOM 0 HZ3 LYS A 57 -0.345 -16.743 11.486 1.00 61.33 H new ATOM 873 N GLU A 58 2.058 -10.311 8.200 1.00 64.51 N ATOM 874 CA GLU A 58 3.162 -9.540 7.644 1.00 2.13 C ATOM 875 C GLU A 58 2.748 -8.092 7.403 1.00 42.42 C ATOM 876 O GLU A 58 1.637 -7.820 6.948 1.00 65.23 O ATOM 877 CB GLU A 58 3.645 -10.169 6.336 1.00 44.12 C ATOM 878 CG GLU A 58 4.898 -9.520 5.773 1.00 34.41 C ATOM 879 CD GLU A 58 6.168 -10.214 6.225 1.00 44.25 C ATOM 880 OE1 GLU A 58 6.100 -11.006 7.188 1.00 71.32 O ATOM 881 OE2 GLU A 58 7.229 -9.966 5.616 1.00 2.02 O ATOM 0 H GLU A 58 1.890 -11.203 7.735 1.00 64.51 H new ATOM 0 HA GLU A 58 3.978 -9.550 8.366 1.00 2.13 H new ATOM 0 HB2 GLU A 58 3.839 -11.229 6.502 1.00 44.12 H new ATOM 0 HB3 GLU A 58 2.848 -10.103 5.595 1.00 44.12 H new ATOM 0 HG2 GLU A 58 4.850 -9.531 4.684 1.00 34.41 H new ATOM 0 HG3 GLU A 58 4.931 -8.475 6.080 1.00 34.41 H new ATOM 886 N TRP A 59 3.649 -7.166 7.711 1.00 20.23 N ATOM 887 CA TRP A 59 3.378 -5.745 7.528 1.00 51.05 C ATOM 888 C TRP A 59 4.526 -5.060 6.795 1.00 24.04 C ATOM 889 O TRP A 59 5.697 -5.325 7.070 1.00 63.11 O ATOM 890 CB TRP A 59 3.147 -5.070 8.881 1.00 24.50 C ATOM 891 CG TRP A 59 4.166 -5.445 9.913 1.00 32.35 C ATOM 892 CD1 TRP A 59 5.481 -5.078 9.938 1.00 10.35 C ATOM 893 CD2 TRP A 59 3.955 -6.263 11.070 1.00 45.31 C ATOM 894 NE1 TRP A 59 6.100 -5.618 11.040 1.00 23.13 N ATOM 895 CE2 TRP A 59 5.186 -6.349 11.750 1.00 75.22 C ATOM 896 CE3 TRP A 59 2.846 -6.930 11.597 1.00 1.21 C ATOM 897 CZ2 TRP A 59 5.335 -7.075 12.929 1.00 13.41 C ATOM 898 CZ3 TRP A 59 2.996 -7.651 12.767 1.00 12.42 C ATOM 899 CH2 TRP A 59 4.233 -7.717 13.423 1.00 64.22 C ATOM 0 H TRP A 59 4.573 -7.374 8.089 1.00 20.23 H new ATOM 0 HA TRP A 59 2.477 -5.649 6.923 1.00 51.05 H new ATOM 0 HB2 TRP A 59 3.158 -3.988 8.746 1.00 24.50 H new ATOM 0 HB3 TRP A 59 2.155 -5.335 9.247 1.00 24.50 H new ATOM 0 HD1 TRP A 59 5.964 -4.455 9.200 1.00 10.35 H new ATOM 0 HE1 TRP A 59 7.081 -5.494 11.289 1.00 23.13 H new ATOM 0 HE3 TRP A 59 1.889 -6.883 11.099 1.00 1.21 H new ATOM 0 HZ2 TRP A 59 6.287 -7.129 13.435 1.00 13.41 H new ATOM 0 HZ3 TRP A 59 2.146 -8.172 13.182 1.00 12.42 H new ATOM 0 HH2 TRP A 59 4.318 -8.286 14.337 1.00 64.22 H new ATOM 909 N LEU A 60 4.185 -4.181 5.860 1.00 55.43 N ATOM 910 CA LEU A 60 5.188 -3.458 5.087 1.00 13.12 C ATOM 911 C LEU A 60 5.118 -1.960 5.368 1.00 41.51 C ATOM 912 O LEU A 60 4.060 -1.344 5.236 1.00 24.02 O ATOM 913 CB LEU A 60 4.994 -3.718 3.592 1.00 60.31 C ATOM 914 CG LEU A 60 5.851 -2.875 2.647 1.00 72.32 C ATOM 915 CD1 LEU A 60 7.277 -3.403 2.607 1.00 54.11 C ATOM 916 CD2 LEU A 60 5.247 -2.860 1.250 1.00 12.13 C ATOM 0 H LEU A 60 3.221 -3.952 5.619 1.00 55.43 H new ATOM 0 HA LEU A 60 6.172 -3.819 5.388 1.00 13.12 H new ATOM 0 HB2 LEU A 60 5.201 -4.770 3.397 1.00 60.31 H new ATOM 0 HB3 LEU A 60 3.945 -3.549 3.347 1.00 60.31 H new ATOM 0 HG LEU A 60 5.874 -1.852 3.022 1.00 72.32 H new ATOM 0 HD11 LEU A 60 7.873 -2.791 1.930 1.00 54.11 H new ATOM 0 HD12 LEU A 60 7.708 -3.362 3.607 1.00 54.11 H new ATOM 0 HD13 LEU A 60 7.273 -4.435 2.256 1.00 54.11 H new ATOM 0 HD21 LEU A 60 5.870 -2.255 0.591 1.00 12.13 H new ATOM 0 HD22 LEU A 60 5.194 -3.879 0.866 1.00 12.13 H new ATOM 0 HD23 LEU A 60 4.244 -2.435 1.292 1.00 12.13 H new ATOM 927 N GLN A 61 6.251 -1.381 5.752 1.00 33.30 N ATOM 928 CA GLN A 61 6.317 0.045 6.050 1.00 44.43 C ATOM 929 C GLN A 61 7.338 0.741 5.156 1.00 0.12 C ATOM 930 O GLN A 61 8.402 0.191 4.867 1.00 30.40 O ATOM 931 CB GLN A 61 6.674 0.265 7.520 1.00 25.14 C ATOM 932 CG GLN A 61 7.954 -0.437 7.946 1.00 34.51 C ATOM 933 CD GLN A 61 7.733 -1.897 8.287 1.00 21.30 C ATOM 934 OE1 GLN A 61 6.601 -2.381 8.294 1.00 63.34 O ATOM 935 NE2 GLN A 61 8.817 -2.609 8.572 1.00 22.32 N ATOM 0 H GLN A 61 7.135 -1.877 5.864 1.00 33.30 H new ATOM 0 HA GLN A 61 5.336 0.477 5.854 1.00 44.43 H new ATOM 0 HB2 GLN A 61 6.777 1.334 7.704 1.00 25.14 H new ATOM 0 HB3 GLN A 61 5.851 -0.088 8.142 1.00 25.14 H new ATOM 0 HG2 GLN A 61 8.689 -0.362 7.144 1.00 34.51 H new ATOM 0 HG3 GLN A 61 8.374 0.075 8.812 1.00 34.51 H new ATOM 0 HE21 GLN A 61 9.736 -2.168 8.554 1.00 22.32 H new ATOM 0 HE22 GLN A 61 8.730 -3.597 8.809 1.00 22.32 H new ATOM 942 N VAL A 62 7.010 1.953 4.722 1.00 42.34 N ATOM 943 CA VAL A 62 7.898 2.724 3.861 1.00 33.13 C ATOM 944 C VAL A 62 8.147 4.115 4.434 1.00 72.31 C ATOM 945 O VAL A 62 7.223 4.919 4.561 1.00 14.25 O ATOM 946 CB VAL A 62 7.324 2.861 2.439 1.00 15.01 C ATOM 947 CG1 VAL A 62 8.404 3.316 1.469 1.00 44.11 C ATOM 948 CG2 VAL A 62 6.706 1.548 1.985 1.00 60.14 C ATOM 0 H VAL A 62 6.135 2.423 4.953 1.00 42.34 H new ATOM 0 HA VAL A 62 8.841 2.180 3.812 1.00 33.13 H new ATOM 0 HB VAL A 62 6.540 3.618 2.454 1.00 15.01 H new ATOM 0 HG11 VAL A 62 7.980 3.407 0.469 1.00 44.11 H new ATOM 0 HG12 VAL A 62 8.795 4.283 1.787 1.00 44.11 H new ATOM 0 HG13 VAL A 62 9.212 2.585 1.455 1.00 44.11 H new ATOM 0 HG21 VAL A 62 6.305 1.663 0.978 1.00 60.14 H new ATOM 0 HG22 VAL A 62 7.467 0.768 1.985 1.00 60.14 H new ATOM 0 HG23 VAL A 62 5.901 1.270 2.666 1.00 60.14 H new ATOM 958 N ASP A 63 9.400 4.392 4.778 1.00 13.20 N ATOM 959 CA ASP A 63 9.772 5.687 5.336 1.00 41.55 C ATOM 960 C ASP A 63 10.469 6.551 4.289 1.00 24.10 C ATOM 961 O ASP A 63 11.470 6.142 3.698 1.00 65.55 O ATOM 962 CB ASP A 63 10.683 5.501 6.550 1.00 63.44 C ATOM 963 CG ASP A 63 12.043 4.946 6.175 1.00 42.04 C ATOM 964 OD1 ASP A 63 12.098 3.808 5.664 1.00 1.14 O ATOM 965 OD2 ASP A 63 13.051 5.651 6.391 1.00 70.13 O ATOM 0 H ASP A 63 10.176 3.737 4.680 1.00 13.20 H new ATOM 0 HA ASP A 63 8.860 6.194 5.650 1.00 41.55 H new ATOM 0 HB2 ASP A 63 10.811 6.459 7.054 1.00 63.44 H new ATOM 0 HB3 ASP A 63 10.203 4.828 7.261 1.00 63.44 H new ATOM 969 N LEU A 64 9.935 7.746 4.063 1.00 65.51 N ATOM 970 CA LEU A 64 10.505 8.666 3.087 1.00 43.13 C ATOM 971 C LEU A 64 11.211 9.827 3.781 1.00 3.03 C ATOM 972 O LEU A 64 12.403 10.054 3.574 1.00 42.03 O ATOM 973 CB LEU A 64 9.410 9.201 2.162 1.00 40.20 C ATOM 974 CG LEU A 64 9.121 8.368 0.913 1.00 21.21 C ATOM 975 CD1 LEU A 64 8.550 7.011 1.296 1.00 73.34 C ATOM 976 CD2 LEU A 64 8.166 9.108 -0.013 1.00 62.03 C ATOM 0 H LEU A 64 9.108 8.100 4.543 1.00 65.51 H new ATOM 0 HA LEU A 64 11.239 8.120 2.494 1.00 43.13 H new ATOM 0 HB2 LEU A 64 8.488 9.290 2.737 1.00 40.20 H new ATOM 0 HB3 LEU A 64 9.687 10.207 1.847 1.00 40.20 H new ATOM 0 HG LEU A 64 10.059 8.208 0.382 1.00 21.21 H new ATOM 0 HD11 LEU A 64 8.351 6.432 0.394 1.00 73.34 H new ATOM 0 HD12 LEU A 64 9.268 6.477 1.919 1.00 73.34 H new ATOM 0 HD13 LEU A 64 7.622 7.150 1.850 1.00 73.34 H new ATOM 0 HD21 LEU A 64 7.972 8.500 -0.897 1.00 62.03 H new ATOM 0 HD22 LEU A 64 7.228 9.300 0.509 1.00 62.03 H new ATOM 0 HD23 LEU A 64 8.613 10.055 -0.315 1.00 62.03 H new ATOM 987 N GLY A 65 10.468 10.556 4.607 1.00 15.21 N ATOM 988 CA GLY A 65 11.042 11.683 5.320 1.00 60.22 C ATOM 989 C GLY A 65 11.446 12.812 4.393 1.00 61.01 C ATOM 990 O GLY A 65 12.125 13.752 4.806 1.00 12.42 O ATOM 0 H GLY A 65 9.480 10.387 4.796 1.00 15.21 H new ATOM 0 HA2 GLY A 65 10.320 12.055 6.047 1.00 60.22 H new ATOM 0 HA3 GLY A 65 11.915 11.348 5.881 1.00 60.22 H new ATOM 994 N THR A 66 11.029 12.720 3.134 1.00 40.14 N ATOM 995 CA THR A 66 11.353 13.739 2.145 1.00 51.01 C ATOM 996 C THR A 66 10.131 14.585 1.805 1.00 62.12 C ATOM 997 O THR A 66 10.234 15.582 1.092 1.00 2.41 O ATOM 998 CB THR A 66 11.905 13.112 0.851 1.00 31.22 C ATOM 999 OG1 THR A 66 12.407 14.135 -0.015 1.00 53.41 O ATOM 1000 CG2 THR A 66 10.825 12.316 0.133 1.00 0.41 C ATOM 0 H THR A 66 10.466 11.949 2.776 1.00 40.14 H new ATOM 0 HA THR A 66 12.120 14.375 2.588 1.00 51.01 H new ATOM 0 HB THR A 66 12.716 12.435 1.119 1.00 31.22 H new ATOM 0 HG1 THR A 66 11.824 14.921 0.035 1.00 53.41 H new ATOM 0 HG21 THR A 66 11.238 11.882 -0.778 1.00 0.41 H new ATOM 0 HG22 THR A 66 10.467 11.519 0.784 1.00 0.41 H new ATOM 0 HG23 THR A 66 9.996 12.976 -0.122 1.00 0.41 H new ATOM 1008 N GLN A 67 8.975 14.179 2.320 1.00 14.01 N ATOM 1009 CA GLN A 67 7.733 14.901 2.071 1.00 64.03 C ATOM 1010 C GLN A 67 7.533 15.140 0.577 1.00 31.42 C ATOM 1011 O GLN A 67 7.885 16.197 0.056 1.00 54.24 O ATOM 1012 CB GLN A 67 7.735 16.236 2.817 1.00 51.40 C ATOM 1013 CG GLN A 67 6.353 16.685 3.264 1.00 52.41 C ATOM 1014 CD GLN A 67 6.373 17.386 4.608 1.00 24.40 C ATOM 1015 OE1 GLN A 67 5.841 16.874 5.595 1.00 54.52 O ATOM 1016 NE2 GLN A 67 6.990 18.561 4.655 1.00 63.11 N ATOM 0 H GLN A 67 8.873 13.355 2.912 1.00 14.01 H new ATOM 0 HA GLN A 67 6.908 14.290 2.437 1.00 64.03 H new ATOM 0 HB2 GLN A 67 8.381 16.154 3.691 1.00 51.40 H new ATOM 0 HB3 GLN A 67 8.166 17.002 2.173 1.00 51.40 H new ATOM 0 HG2 GLN A 67 5.933 17.356 2.515 1.00 52.41 H new ATOM 0 HG3 GLN A 67 5.694 15.818 3.320 1.00 52.41 H new ATOM 0 HE21 GLN A 67 7.417 18.947 3.813 1.00 63.11 H new ATOM 0 HE22 GLN A 67 7.037 19.077 5.533 1.00 63.11 H new ATOM 1023 N ARG A 68 6.966 14.149 -0.104 1.00 3.54 N ATOM 1024 CA ARG A 68 6.722 14.252 -1.538 1.00 25.51 C ATOM 1025 C ARG A 68 5.231 14.152 -1.843 1.00 64.43 C ATOM 1026 O ARG A 68 4.507 13.390 -1.202 1.00 65.24 O ATOM 1027 CB ARG A 68 7.481 13.153 -2.286 1.00 53.15 C ATOM 1028 CG ARG A 68 8.849 13.590 -2.784 1.00 51.33 C ATOM 1029 CD ARG A 68 8.734 14.631 -3.886 1.00 73.33 C ATOM 1030 NE ARG A 68 10.043 15.069 -4.365 1.00 63.20 N ATOM 1031 CZ ARG A 68 10.871 15.824 -3.653 1.00 1.31 C ATOM 1032 NH1 ARG A 68 10.528 16.225 -2.436 1.00 2.42 N ATOM 1033 NH2 ARG A 68 12.045 16.181 -4.158 1.00 23.55 N ATOM 0 H ARG A 68 6.668 13.267 0.313 1.00 3.54 H new ATOM 0 HA ARG A 68 7.080 15.225 -1.874 1.00 25.51 H new ATOM 0 HB2 ARG A 68 7.601 12.293 -1.627 1.00 53.15 H new ATOM 0 HB3 ARG A 68 6.883 12.823 -3.135 1.00 53.15 H new ATOM 0 HG2 ARG A 68 9.426 13.999 -1.954 1.00 51.33 H new ATOM 0 HG3 ARG A 68 9.396 12.724 -3.156 1.00 51.33 H new ATOM 0 HD2 ARG A 68 8.164 14.217 -4.718 1.00 73.33 H new ATOM 0 HD3 ARG A 68 8.177 15.492 -3.515 1.00 73.33 H new ATOM 0 HE ARG A 68 10.337 14.779 -5.298 1.00 63.20 H new ATOM 0 HH11 ARG A 68 9.626 15.953 -2.045 1.00 2.42 H new ATOM 0 HH12 ARG A 68 11.166 16.805 -1.891 1.00 2.42 H new ATOM 0 HH21 ARG A 68 12.312 15.875 -5.094 1.00 23.55 H new ATOM 0 HH22 ARG A 68 12.681 16.761 -3.610 1.00 23.55 H new ATOM 1044 N GLN A 69 4.778 14.926 -2.824 1.00 11.43 N ATOM 1045 CA GLN A 69 3.374 14.925 -3.212 1.00 62.12 C ATOM 1046 C GLN A 69 3.096 13.843 -4.251 1.00 31.54 C ATOM 1047 O GLN A 69 3.644 13.870 -5.351 1.00 44.54 O ATOM 1048 CB GLN A 69 2.975 16.294 -3.767 1.00 34.55 C ATOM 1049 CG GLN A 69 1.669 16.278 -4.544 1.00 74.23 C ATOM 1050 CD GLN A 69 1.017 17.645 -4.617 1.00 53.24 C ATOM 1051 OE1 GLN A 69 0.140 17.971 -3.816 1.00 13.51 O ATOM 1052 NE2 GLN A 69 1.442 18.454 -5.581 1.00 33.21 N ATOM 0 H GLN A 69 5.364 15.562 -3.365 1.00 11.43 H new ATOM 0 HA GLN A 69 2.779 14.712 -2.324 1.00 62.12 H new ATOM 0 HB2 GLN A 69 2.888 17.000 -2.941 1.00 34.55 H new ATOM 0 HB3 GLN A 69 3.770 16.659 -4.417 1.00 34.55 H new ATOM 0 HG2 GLN A 69 1.856 15.914 -5.554 1.00 74.23 H new ATOM 0 HG3 GLN A 69 0.980 15.576 -4.075 1.00 74.23 H new ATOM 0 HE21 GLN A 69 2.171 18.143 -6.223 1.00 33.21 H new ATOM 0 HE22 GLN A 69 1.039 19.386 -5.679 1.00 33.21 H new ATOM 1059 N VAL A 70 2.241 12.889 -3.890 1.00 14.30 N ATOM 1060 CA VAL A 70 1.890 11.798 -4.791 1.00 22.12 C ATOM 1061 C VAL A 70 0.633 12.126 -5.588 1.00 12.23 C ATOM 1062 O VAL A 70 -0.262 12.818 -5.101 1.00 4.53 O ATOM 1063 CB VAL A 70 1.668 10.484 -4.019 1.00 73.13 C ATOM 1064 CG1 VAL A 70 2.901 10.130 -3.200 1.00 45.21 C ATOM 1065 CG2 VAL A 70 0.440 10.591 -3.129 1.00 73.54 C ATOM 0 H VAL A 70 1.780 12.851 -2.981 1.00 14.30 H new ATOM 0 HA VAL A 70 2.728 11.671 -5.477 1.00 22.12 H new ATOM 0 HB VAL A 70 1.498 9.684 -4.739 1.00 73.13 H new ATOM 0 HG11 VAL A 70 2.725 9.199 -2.662 1.00 45.21 H new ATOM 0 HG12 VAL A 70 3.757 10.009 -3.864 1.00 45.21 H new ATOM 0 HG13 VAL A 70 3.106 10.928 -2.487 1.00 45.21 H new ATOM 0 HG21 VAL A 70 0.298 9.654 -2.591 1.00 73.54 H new ATOM 0 HG22 VAL A 70 0.578 11.402 -2.414 1.00 73.54 H new ATOM 0 HG23 VAL A 70 -0.438 10.794 -3.743 1.00 73.54 H new ATOM 1075 N THR A 71 0.571 11.623 -6.817 1.00 53.21 N ATOM 1076 CA THR A 71 -0.577 11.862 -7.683 1.00 15.40 C ATOM 1077 C THR A 71 -0.929 10.616 -8.486 1.00 23.51 C ATOM 1078 O THR A 71 -1.535 10.703 -9.553 1.00 52.23 O ATOM 1079 CB THR A 71 -0.314 13.028 -8.656 1.00 13.12 C ATOM 1080 OG1 THR A 71 0.989 13.575 -8.424 1.00 34.42 O ATOM 1081 CG2 THR A 71 -1.363 14.117 -8.493 1.00 3.03 C ATOM 0 H THR A 71 1.302 11.048 -7.235 1.00 53.21 H new ATOM 0 HA THR A 71 -1.413 12.121 -7.034 1.00 15.40 H new ATOM 0 HB THR A 71 -0.370 12.642 -9.674 1.00 13.12 H new ATOM 0 HG1 THR A 71 0.997 14.047 -7.565 1.00 34.42 H new ATOM 0 HG21 THR A 71 -1.156 14.929 -9.190 1.00 3.03 H new ATOM 0 HG22 THR A 71 -2.351 13.705 -8.699 1.00 3.03 H new ATOM 0 HG23 THR A 71 -1.335 14.499 -7.473 1.00 3.03 H new ATOM 1089 N GLY A 72 -0.548 9.455 -7.964 1.00 24.44 N ATOM 1090 CA GLY A 72 -0.833 8.205 -8.645 1.00 42.10 C ATOM 1091 C GLY A 72 -0.139 7.021 -8.002 1.00 12.22 C ATOM 1092 O GLY A 72 0.834 7.189 -7.266 1.00 70.01 O ATOM 0 H GLY A 72 -0.047 9.357 -7.081 1.00 24.44 H new ATOM 0 HA2 GLY A 72 -1.909 8.034 -8.647 1.00 42.10 H new ATOM 0 HA3 GLY A 72 -0.521 8.283 -9.686 1.00 42.10 H new ATOM 1096 N ILE A 73 -0.640 5.822 -8.278 1.00 11.24 N ATOM 1097 CA ILE A 73 -0.061 4.606 -7.719 1.00 3.22 C ATOM 1098 C ILE A 73 -0.295 3.413 -8.640 1.00 30.13 C ATOM 1099 O ILE A 73 -1.053 3.501 -9.606 1.00 42.13 O ATOM 1100 CB ILE A 73 -0.646 4.291 -6.331 1.00 24.44 C ATOM 1101 CG1 ILE A 73 -2.154 4.548 -6.318 1.00 53.14 C ATOM 1102 CG2 ILE A 73 0.048 5.122 -5.262 1.00 61.05 C ATOM 1103 CD1 ILE A 73 -2.939 3.500 -5.560 1.00 51.35 C ATOM 0 H ILE A 73 -1.445 5.666 -8.885 1.00 11.24 H new ATOM 0 HA ILE A 73 1.010 4.782 -7.621 1.00 3.22 H new ATOM 0 HB ILE A 73 -0.475 3.237 -6.112 1.00 24.44 H new ATOM 0 HG12 ILE A 73 -2.344 5.525 -5.873 1.00 53.14 H new ATOM 0 HG13 ILE A 73 -2.516 4.589 -7.345 1.00 53.14 H new ATOM 0 HG21 ILE A 73 -0.377 4.888 -4.286 1.00 61.05 H new ATOM 0 HG22 ILE A 73 1.114 4.893 -5.258 1.00 61.05 H new ATOM 0 HG23 ILE A 73 -0.095 6.181 -5.475 1.00 61.05 H new ATOM 0 HD11 ILE A 73 -4.000 3.746 -5.592 1.00 51.35 H new ATOM 0 HD12 ILE A 73 -2.779 2.524 -6.018 1.00 51.35 H new ATOM 0 HD13 ILE A 73 -2.604 3.474 -4.523 1.00 51.35 H new ATOM 1114 N ILE A 74 0.361 2.299 -8.333 1.00 21.32 N ATOM 1115 CA ILE A 74 0.222 1.088 -9.131 1.00 24.11 C ATOM 1116 C ILE A 74 0.680 -0.140 -8.351 1.00 3.31 C ATOM 1117 O ILE A 74 1.616 -0.070 -7.555 1.00 35.23 O ATOM 1118 CB ILE A 74 1.028 1.180 -10.440 1.00 63.02 C ATOM 1119 CG1 ILE A 74 0.838 -0.090 -11.273 1.00 32.44 C ATOM 1120 CG2 ILE A 74 2.502 1.408 -10.140 1.00 53.15 C ATOM 1121 CD1 ILE A 74 1.098 0.111 -12.749 1.00 4.33 C ATOM 0 H ILE A 74 0.994 2.210 -7.538 1.00 21.32 H new ATOM 0 HA ILE A 74 -0.836 0.989 -9.372 1.00 24.11 H new ATOM 0 HB ILE A 74 0.659 2.028 -11.017 1.00 63.02 H new ATOM 0 HG12 ILE A 74 1.506 -0.865 -10.897 1.00 32.44 H new ATOM 0 HG13 ILE A 74 -0.180 -0.454 -11.138 1.00 32.44 H new ATOM 0 HG21 ILE A 74 3.058 1.471 -11.075 1.00 53.15 H new ATOM 0 HG22 ILE A 74 2.621 2.338 -9.584 1.00 53.15 H new ATOM 0 HG23 ILE A 74 2.885 0.579 -9.545 1.00 53.15 H new ATOM 0 HD11 ILE A 74 0.944 -0.830 -13.277 1.00 4.33 H new ATOM 0 HD12 ILE A 74 0.412 0.863 -13.140 1.00 4.33 H new ATOM 0 HD13 ILE A 74 2.125 0.446 -12.895 1.00 4.33 H new ATOM 1132 N THR A 75 0.015 -1.267 -8.587 1.00 24.12 N ATOM 1133 CA THR A 75 0.354 -2.511 -7.908 1.00 43.22 C ATOM 1134 C THR A 75 0.610 -3.632 -8.909 1.00 31.32 C ATOM 1135 O THR A 75 -0.037 -3.702 -9.954 1.00 31.53 O ATOM 1136 CB THR A 75 -0.764 -2.947 -6.942 1.00 12.33 C ATOM 1137 OG1 THR A 75 -0.935 -1.962 -5.915 1.00 23.24 O ATOM 1138 CG2 THR A 75 -0.441 -4.293 -6.311 1.00 5.52 C ATOM 0 H THR A 75 -0.762 -1.343 -9.244 1.00 24.12 H new ATOM 0 HA THR A 75 1.263 -2.322 -7.338 1.00 43.22 H new ATOM 0 HB THR A 75 -1.688 -3.044 -7.511 1.00 12.33 H new ATOM 0 HG1 THR A 75 -1.741 -2.166 -5.397 1.00 23.24 H new ATOM 0 HG21 THR A 75 -1.245 -4.579 -5.633 1.00 5.52 H new ATOM 0 HG22 THR A 75 -0.340 -5.046 -7.092 1.00 5.52 H new ATOM 0 HG23 THR A 75 0.494 -4.219 -5.755 1.00 5.52 H new ATOM 1146 N GLN A 76 1.556 -4.506 -8.582 1.00 64.23 N ATOM 1147 CA GLN A 76 1.896 -5.625 -9.453 1.00 50.52 C ATOM 1148 C GLN A 76 2.480 -6.783 -8.651 1.00 45.45 C ATOM 1149 O GLN A 76 3.206 -6.575 -7.680 1.00 74.51 O ATOM 1150 CB GLN A 76 2.892 -5.178 -10.526 1.00 13.13 C ATOM 1151 CG GLN A 76 2.479 -5.561 -11.938 1.00 30.41 C ATOM 1152 CD GLN A 76 3.640 -6.071 -12.768 1.00 31.11 C ATOM 1153 OE1 GLN A 76 3.899 -5.577 -13.866 1.00 71.34 O ATOM 1154 NE2 GLN A 76 4.349 -7.066 -12.246 1.00 12.54 N ATOM 0 H GLN A 76 2.101 -4.461 -7.721 1.00 64.23 H new ATOM 0 HA GLN A 76 0.981 -5.968 -9.936 1.00 50.52 H new ATOM 0 HB2 GLN A 76 3.010 -4.096 -10.472 1.00 13.13 H new ATOM 0 HB3 GLN A 76 3.867 -5.616 -10.310 1.00 13.13 H new ATOM 0 HG2 GLN A 76 1.706 -6.328 -11.891 1.00 30.41 H new ATOM 0 HG3 GLN A 76 2.038 -4.695 -12.431 1.00 30.41 H new ATOM 0 HE21 GLN A 76 4.099 -7.446 -11.333 1.00 12.54 H new ATOM 0 HE22 GLN A 76 5.143 -7.450 -12.758 1.00 12.54 H new ATOM 1161 N GLY A 77 2.159 -8.005 -9.065 1.00 72.45 N ATOM 1162 CA GLY A 77 2.659 -9.178 -8.373 1.00 2.11 C ATOM 1163 C GLY A 77 3.918 -9.732 -9.008 1.00 3.12 C ATOM 1164 O GLY A 77 4.503 -9.107 -9.893 1.00 71.25 O ATOM 0 H GLY A 77 1.561 -8.203 -9.868 1.00 72.45 H new ATOM 0 HA2 GLY A 77 2.862 -8.923 -7.333 1.00 2.11 H new ATOM 0 HA3 GLY A 77 1.889 -9.949 -8.368 1.00 2.11 H new ATOM 1168 N ALA A 78 4.340 -10.909 -8.555 1.00 60.33 N ATOM 1169 CA ALA A 78 5.537 -11.547 -9.085 1.00 4.40 C ATOM 1170 C ALA A 78 5.438 -13.066 -8.990 1.00 12.23 C ATOM 1171 O ALA A 78 4.451 -13.602 -8.489 1.00 73.51 O ATOM 1172 CB ALA A 78 6.771 -11.049 -8.347 1.00 22.14 C ATOM 0 H ALA A 78 3.869 -11.439 -7.822 1.00 60.33 H new ATOM 0 HA ALA A 78 5.625 -11.280 -10.138 1.00 4.40 H new ATOM 0 HB1 ALA A 78 7.658 -11.534 -8.753 1.00 22.14 H new ATOM 0 HB2 ALA A 78 6.858 -9.970 -8.471 1.00 22.14 H new ATOM 0 HB3 ALA A 78 6.681 -11.286 -7.287 1.00 22.14 H new ATOM 1178 N ARG A 79 6.467 -13.753 -9.475 1.00 4.23 N ATOM 1179 CA ARG A 79 6.495 -15.211 -9.446 1.00 74.03 C ATOM 1180 C ARG A 79 7.832 -15.719 -8.917 1.00 12.55 C ATOM 1181 O ARG A 79 8.789 -14.955 -8.783 1.00 64.11 O ATOM 1182 CB ARG A 79 6.240 -15.774 -10.845 1.00 63.23 C ATOM 1183 CG ARG A 79 7.427 -15.633 -11.785 1.00 60.45 C ATOM 1184 CD ARG A 79 8.024 -16.986 -12.135 1.00 70.21 C ATOM 1185 NE ARG A 79 8.271 -17.121 -13.569 1.00 72.11 N ATOM 1186 CZ ARG A 79 7.323 -17.409 -14.453 1.00 70.23 C ATOM 1187 NH1 ARG A 79 6.072 -17.592 -14.054 1.00 55.14 N ATOM 1188 NH2 ARG A 79 7.625 -17.515 -15.741 1.00 34.33 N ATOM 0 H ARG A 79 7.293 -13.324 -9.893 1.00 4.23 H new ATOM 0 HA ARG A 79 5.706 -15.552 -8.775 1.00 74.03 H new ATOM 0 HB2 ARG A 79 5.978 -16.829 -10.761 1.00 63.23 H new ATOM 0 HB3 ARG A 79 5.380 -15.265 -11.281 1.00 63.23 H new ATOM 0 HG2 ARG A 79 7.112 -15.126 -12.697 1.00 60.45 H new ATOM 0 HG3 ARG A 79 8.189 -15.007 -11.320 1.00 60.45 H new ATOM 0 HD2 ARG A 79 8.959 -17.121 -11.592 1.00 70.21 H new ATOM 0 HD3 ARG A 79 7.348 -17.776 -11.808 1.00 70.21 H new ATOM 0 HE ARG A 79 9.223 -16.987 -13.909 1.00 72.11 H new ATOM 0 HH11 ARG A 79 5.835 -17.512 -13.065 1.00 55.14 H new ATOM 0 HH12 ARG A 79 5.346 -17.813 -14.736 1.00 55.14 H new ATOM 0 HH21 ARG A 79 8.586 -17.375 -16.053 1.00 34.33 H new ATOM 0 HH22 ARG A 79 6.896 -17.736 -16.419 1.00 34.33 H new ATOM 1199 N ASP A 80 7.891 -17.011 -8.618 1.00 31.24 N ATOM 1200 CA ASP A 80 9.112 -17.622 -8.103 1.00 14.12 C ATOM 1201 C ASP A 80 9.797 -18.457 -9.181 1.00 13.44 C ATOM 1202 O ASP A 80 11.021 -18.597 -9.187 1.00 40.24 O ATOM 1203 CB ASP A 80 8.798 -18.496 -6.888 1.00 54.14 C ATOM 1204 CG ASP A 80 8.588 -17.679 -5.628 1.00 33.53 C ATOM 1205 OD1 ASP A 80 7.798 -16.712 -5.670 1.00 0.44 O ATOM 1206 OD2 ASP A 80 9.213 -18.008 -4.597 1.00 13.32 O ATOM 0 H ASP A 80 7.108 -17.656 -8.723 1.00 31.24 H new ATOM 0 HA ASP A 80 9.789 -16.823 -7.801 1.00 14.12 H new ATOM 0 HB2 ASP A 80 7.903 -19.085 -7.089 1.00 54.14 H new ATOM 0 HB3 ASP A 80 9.615 -19.200 -6.729 1.00 54.14 H new ATOM 1210 N PHE A 81 9.001 -19.010 -10.090 1.00 14.14 N ATOM 1211 CA PHE A 81 9.531 -19.832 -11.171 1.00 44.11 C ATOM 1212 C PHE A 81 8.401 -20.483 -11.962 1.00 22.12 C ATOM 1213 O PHE A 81 8.547 -20.774 -13.149 1.00 61.20 O ATOM 1214 CB PHE A 81 10.463 -20.908 -10.611 1.00 2.54 C ATOM 1215 CG PHE A 81 9.956 -21.545 -9.350 1.00 24.32 C ATOM 1216 CD1 PHE A 81 8.886 -22.425 -9.385 1.00 75.43 C ATOM 1217 CD2 PHE A 81 10.548 -21.264 -8.129 1.00 52.33 C ATOM 1218 CE1 PHE A 81 8.415 -23.013 -8.225 1.00 11.10 C ATOM 1219 CE2 PHE A 81 10.083 -21.849 -6.967 1.00 63.33 C ATOM 1220 CZ PHE A 81 9.014 -22.723 -7.015 1.00 33.02 C ATOM 0 H PHE A 81 7.987 -18.904 -10.099 1.00 14.14 H new ATOM 0 HA PHE A 81 10.096 -19.186 -11.843 1.00 44.11 H new ATOM 0 HB2 PHE A 81 10.607 -21.681 -11.366 1.00 2.54 H new ATOM 0 HB3 PHE A 81 11.440 -20.466 -10.417 1.00 2.54 H new ATOM 0 HD1 PHE A 81 8.414 -22.654 -10.329 1.00 75.43 H new ATOM 0 HD2 PHE A 81 11.382 -20.580 -8.085 1.00 52.33 H new ATOM 0 HE1 PHE A 81 7.581 -23.697 -8.265 1.00 11.10 H new ATOM 0 HE2 PHE A 81 10.555 -21.623 -6.022 1.00 63.33 H new ATOM 0 HZ PHE A 81 8.647 -23.179 -6.107 1.00 33.02 H new ATOM 1229 N GLY A 82 7.273 -20.711 -11.295 1.00 32.14 N ATOM 1230 CA GLY A 82 6.135 -21.327 -11.950 1.00 4.31 C ATOM 1231 C GLY A 82 4.852 -21.163 -11.161 1.00 11.12 C ATOM 1232 O GLY A 82 3.762 -21.122 -11.734 1.00 31.44 O ATOM 0 H GLY A 82 7.128 -20.480 -10.312 1.00 32.14 H new ATOM 0 HA2 GLY A 82 6.008 -20.888 -12.939 1.00 4.31 H new ATOM 0 HA3 GLY A 82 6.335 -22.389 -12.096 1.00 4.31 H new ATOM 1236 N HIS A 83 4.979 -21.069 -9.841 1.00 54.02 N ATOM 1237 CA HIS A 83 3.819 -20.909 -8.971 1.00 14.25 C ATOM 1238 C HIS A 83 3.414 -19.442 -8.871 1.00 42.15 C ATOM 1239 O HIS A 83 3.027 -18.965 -7.804 1.00 50.43 O ATOM 1240 CB HIS A 83 4.122 -21.461 -7.577 1.00 61.34 C ATOM 1241 CG HIS A 83 3.508 -22.803 -7.318 1.00 52.25 C ATOM 1242 ND1 HIS A 83 2.813 -23.102 -6.165 1.00 43.13 N ATOM 1243 CD2 HIS A 83 3.485 -23.926 -8.073 1.00 12.42 C ATOM 1244 CE1 HIS A 83 2.391 -24.353 -6.222 1.00 21.54 C ATOM 1245 NE2 HIS A 83 2.785 -24.876 -7.369 1.00 15.50 N ATOM 0 H HIS A 83 5.873 -21.101 -9.351 1.00 54.02 H new ATOM 0 HA HIS A 83 2.990 -21.469 -9.404 1.00 14.25 H new ATOM 0 HB2 HIS A 83 5.202 -21.534 -7.451 1.00 61.34 H new ATOM 0 HB3 HIS A 83 3.761 -20.755 -6.829 1.00 61.34 H new ATOM 0 HD2 HIS A 83 3.933 -24.052 -9.047 1.00 12.42 H new ATOM 0 HE1 HIS A 83 1.820 -24.862 -5.459 1.00 21.54 H new ATOM 0 HE2 HIS A 83 2.600 -25.829 -7.681 1.00 15.50 H new ATOM 1252 N ILE A 84 3.503 -18.731 -9.991 1.00 53.51 N ATOM 1253 CA ILE A 84 3.145 -17.319 -10.029 1.00 53.45 C ATOM 1254 C ILE A 84 2.389 -16.909 -8.770 1.00 51.25 C ATOM 1255 O ILE A 84 1.294 -17.404 -8.504 1.00 62.34 O ATOM 1256 CB ILE A 84 2.282 -16.991 -11.262 1.00 50.34 C ATOM 1257 CG1 ILE A 84 3.055 -17.292 -12.548 1.00 34.40 C ATOM 1258 CG2 ILE A 84 1.843 -15.535 -11.230 1.00 14.11 C ATOM 1259 CD1 ILE A 84 2.324 -18.223 -13.489 1.00 20.41 C ATOM 0 H ILE A 84 3.820 -19.110 -10.883 1.00 53.51 H new ATOM 0 HA ILE A 84 4.078 -16.758 -10.088 1.00 53.45 H new ATOM 0 HB ILE A 84 1.391 -17.619 -11.240 1.00 50.34 H new ATOM 0 HG12 ILE A 84 3.262 -16.355 -13.065 1.00 34.40 H new ATOM 0 HG13 ILE A 84 4.018 -17.733 -12.289 1.00 34.40 H new ATOM 0 HG21 ILE A 84 1.234 -15.319 -12.108 1.00 14.11 H new ATOM 0 HG22 ILE A 84 1.258 -15.351 -10.329 1.00 14.11 H new ATOM 0 HG23 ILE A 84 2.722 -14.890 -11.230 1.00 14.11 H new ATOM 0 HD11 ILE A 84 2.931 -18.392 -14.379 1.00 20.41 H new ATOM 0 HD12 ILE A 84 2.140 -19.174 -12.990 1.00 20.41 H new ATOM 0 HD13 ILE A 84 1.373 -17.775 -13.778 1.00 20.41 H new ATOM 1270 N GLN A 85 2.980 -16.001 -8.000 1.00 42.52 N ATOM 1271 CA GLN A 85 2.362 -15.523 -6.770 1.00 64.41 C ATOM 1272 C GLN A 85 1.641 -14.199 -7.001 1.00 11.11 C ATOM 1273 O GLN A 85 1.921 -13.489 -7.967 1.00 74.21 O ATOM 1274 CB GLN A 85 3.416 -15.359 -5.674 1.00 25.14 C ATOM 1275 CG GLN A 85 4.711 -16.103 -5.960 1.00 43.44 C ATOM 1276 CD GLN A 85 4.524 -17.607 -6.004 1.00 60.32 C ATOM 1277 OE1 GLN A 85 3.582 -18.144 -5.419 1.00 31.04 O ATOM 1278 NE2 GLN A 85 5.421 -18.295 -6.699 1.00 2.22 N ATOM 0 H GLN A 85 3.887 -15.582 -8.207 1.00 42.52 H new ATOM 0 HA GLN A 85 1.629 -16.264 -6.451 1.00 64.41 H new ATOM 0 HB2 GLN A 85 3.636 -14.299 -5.548 1.00 25.14 H new ATOM 0 HB3 GLN A 85 3.004 -15.713 -4.729 1.00 25.14 H new ATOM 0 HG2 GLN A 85 5.118 -15.763 -6.913 1.00 43.44 H new ATOM 0 HG3 GLN A 85 5.445 -15.854 -5.193 1.00 43.44 H new ATOM 0 HE21 GLN A 85 6.185 -17.809 -7.168 1.00 2.22 H new ATOM 0 HE22 GLN A 85 5.346 -19.310 -6.764 1.00 2.22 H new ATOM 1285 N TYR A 86 0.712 -13.873 -6.109 1.00 33.14 N ATOM 1286 CA TYR A 86 -0.050 -12.635 -6.216 1.00 41.21 C ATOM 1287 C TYR A 86 -0.945 -12.439 -4.996 1.00 40.42 C ATOM 1288 O TYR A 86 -1.529 -13.391 -4.480 1.00 61.22 O ATOM 1289 CB TYR A 86 -0.898 -12.643 -7.489 1.00 43.32 C ATOM 1290 CG TYR A 86 -1.838 -13.824 -7.583 1.00 33.44 C ATOM 1291 CD1 TYR A 86 -1.373 -15.080 -7.953 1.00 2.34 C ATOM 1292 CD2 TYR A 86 -3.191 -13.684 -7.301 1.00 35.44 C ATOM 1293 CE1 TYR A 86 -2.228 -16.161 -8.040 1.00 5.31 C ATOM 1294 CE2 TYR A 86 -4.054 -14.761 -7.383 1.00 51.40 C ATOM 1295 CZ TYR A 86 -3.567 -15.997 -7.755 1.00 41.14 C ATOM 1296 OH TYR A 86 -4.422 -17.072 -7.840 1.00 74.32 O ATOM 0 H TYR A 86 0.469 -14.449 -5.303 1.00 33.14 H new ATOM 0 HA TYR A 86 0.656 -11.806 -6.263 1.00 41.21 H new ATOM 0 HB2 TYR A 86 -1.479 -11.722 -7.534 1.00 43.32 H new ATOM 0 HB3 TYR A 86 -0.237 -12.645 -8.356 1.00 43.32 H new ATOM 0 HD1 TYR A 86 -0.325 -15.213 -8.176 1.00 2.34 H new ATOM 0 HD2 TYR A 86 -3.576 -12.717 -7.013 1.00 35.44 H new ATOM 0 HE1 TYR A 86 -1.850 -17.130 -8.330 1.00 5.31 H new ATOM 0 HE2 TYR A 86 -5.103 -14.636 -7.157 1.00 51.40 H new ATOM 0 HH TYR A 86 -5.330 -16.787 -7.606 1.00 74.32 H new ATOM 1305 N VAL A 87 -1.047 -11.194 -4.541 1.00 60.43 N ATOM 1306 CA VAL A 87 -1.872 -10.870 -3.383 1.00 34.03 C ATOM 1307 C VAL A 87 -3.290 -10.498 -3.805 1.00 33.33 C ATOM 1308 O VAL A 87 -3.503 -9.947 -4.883 1.00 3.50 O ATOM 1309 CB VAL A 87 -1.268 -9.707 -2.571 1.00 65.34 C ATOM 1310 CG1 VAL A 87 -2.057 -9.484 -1.291 1.00 33.24 C ATOM 1311 CG2 VAL A 87 0.197 -9.978 -2.265 1.00 53.41 C ATOM 0 H VAL A 87 -0.569 -10.394 -4.956 1.00 60.43 H new ATOM 0 HA VAL A 87 -1.904 -11.762 -2.758 1.00 34.03 H new ATOM 0 HB VAL A 87 -1.329 -8.798 -3.169 1.00 65.34 H new ATOM 0 HG11 VAL A 87 -1.616 -8.659 -0.731 1.00 33.24 H new ATOM 0 HG12 VAL A 87 -3.091 -9.243 -1.538 1.00 33.24 H new ATOM 0 HG13 VAL A 87 -2.030 -10.390 -0.685 1.00 33.24 H new ATOM 0 HG21 VAL A 87 0.609 -9.148 -1.691 1.00 53.41 H new ATOM 0 HG22 VAL A 87 0.284 -10.897 -1.686 1.00 53.41 H new ATOM 0 HG23 VAL A 87 0.750 -10.084 -3.198 1.00 53.41 H new ATOM 1321 N ALA A 88 -4.256 -10.804 -2.944 1.00 12.31 N ATOM 1322 CA ALA A 88 -5.653 -10.500 -3.226 1.00 70.43 C ATOM 1323 C ALA A 88 -6.104 -9.249 -2.480 1.00 75.44 C ATOM 1324 O ALA A 88 -6.359 -8.209 -3.088 1.00 3.20 O ATOM 1325 CB ALA A 88 -6.535 -11.683 -2.858 1.00 63.52 C ATOM 0 H ALA A 88 -4.096 -11.262 -2.047 1.00 12.31 H new ATOM 0 HA ALA A 88 -5.749 -10.308 -4.295 1.00 70.43 H new ATOM 0 HB1 ALA A 88 -7.576 -11.442 -3.074 1.00 63.52 H new ATOM 0 HB2 ALA A 88 -6.236 -12.555 -3.440 1.00 63.52 H new ATOM 0 HB3 ALA A 88 -6.426 -11.902 -1.796 1.00 63.52 H new ATOM 1331 N SER A 89 -6.202 -9.356 -1.158 1.00 3.13 N ATOM 1332 CA SER A 89 -6.626 -8.235 -0.329 1.00 41.40 C ATOM 1333 C SER A 89 -5.437 -7.613 0.396 1.00 0.43 C ATOM 1334 O SER A 89 -4.510 -8.313 0.805 1.00 63.41 O ATOM 1335 CB SER A 89 -7.674 -8.692 0.687 1.00 42.02 C ATOM 1336 OG SER A 89 -8.267 -7.584 1.342 1.00 70.42 O ATOM 0 H SER A 89 -5.993 -10.209 -0.639 1.00 3.13 H new ATOM 0 HA SER A 89 -7.066 -7.481 -0.981 1.00 41.40 H new ATOM 0 HB2 SER A 89 -8.444 -9.275 0.182 1.00 42.02 H new ATOM 0 HB3 SER A 89 -7.209 -9.348 1.423 1.00 42.02 H new ATOM 0 HG SER A 89 -8.934 -7.903 1.985 1.00 70.42 H new ATOM 1341 N TYR A 90 -5.468 -6.294 0.550 1.00 63.41 N ATOM 1342 CA TYR A 90 -4.392 -5.577 1.222 1.00 73.10 C ATOM 1343 C TYR A 90 -4.777 -4.120 1.466 1.00 65.02 C ATOM 1344 O TYR A 90 -5.446 -3.497 0.642 1.00 75.30 O ATOM 1345 CB TYR A 90 -3.109 -5.645 0.393 1.00 4.22 C ATOM 1346 CG TYR A 90 -3.211 -4.937 -0.939 1.00 23.01 C ATOM 1347 CD1 TYR A 90 -3.868 -5.528 -2.012 1.00 50.33 C ATOM 1348 CD2 TYR A 90 -2.651 -3.680 -1.126 1.00 12.44 C ATOM 1349 CE1 TYR A 90 -3.963 -4.885 -3.232 1.00 43.32 C ATOM 1350 CE2 TYR A 90 -2.742 -3.030 -2.341 1.00 13.42 C ATOM 1351 CZ TYR A 90 -3.399 -3.637 -3.391 1.00 55.31 C ATOM 1352 OH TYR A 90 -3.491 -2.993 -4.604 1.00 41.22 O ATOM 0 H TYR A 90 -6.228 -5.700 0.218 1.00 63.41 H new ATOM 0 HA TYR A 90 -4.219 -6.055 2.186 1.00 73.10 H new ATOM 0 HB2 TYR A 90 -2.292 -5.207 0.966 1.00 4.22 H new ATOM 0 HB3 TYR A 90 -2.853 -6.690 0.221 1.00 4.22 H new ATOM 0 HD1 TYR A 90 -4.311 -6.505 -1.891 1.00 50.33 H new ATOM 0 HD2 TYR A 90 -2.135 -3.202 -0.306 1.00 12.44 H new ATOM 0 HE1 TYR A 90 -4.476 -5.358 -4.056 1.00 43.32 H new ATOM 0 HE2 TYR A 90 -2.301 -2.052 -2.468 1.00 13.42 H new ATOM 0 HH TYR A 90 -3.501 -2.024 -4.460 1.00 41.22 H new ATOM 1361 N LYS A 91 -4.349 -3.585 2.604 1.00 24.01 N ATOM 1362 CA LYS A 91 -4.646 -2.202 2.958 1.00 32.04 C ATOM 1363 C LYS A 91 -3.398 -1.332 2.844 1.00 35.33 C ATOM 1364 O LYS A 91 -2.400 -1.566 3.528 1.00 63.14 O ATOM 1365 CB LYS A 91 -5.204 -2.127 4.381 1.00 61.24 C ATOM 1366 CG LYS A 91 -6.578 -1.481 4.461 1.00 24.22 C ATOM 1367 CD LYS A 91 -6.637 -0.432 5.558 1.00 14.24 C ATOM 1368 CE LYS A 91 -8.019 -0.364 6.190 1.00 11.03 C ATOM 1369 NZ LYS A 91 -8.114 -1.218 7.407 1.00 53.32 N ATOM 0 H LYS A 91 -3.795 -4.088 3.297 1.00 24.01 H new ATOM 0 HA LYS A 91 -5.395 -1.827 2.260 1.00 32.04 H new ATOM 0 HB2 LYS A 91 -5.260 -3.134 4.794 1.00 61.24 H new ATOM 0 HB3 LYS A 91 -4.510 -1.565 5.006 1.00 61.24 H new ATOM 0 HG2 LYS A 91 -6.821 -1.021 3.503 1.00 24.22 H new ATOM 0 HG3 LYS A 91 -7.331 -2.247 4.648 1.00 24.22 H new ATOM 0 HD2 LYS A 91 -5.896 -0.663 6.324 1.00 14.24 H new ATOM 0 HD3 LYS A 91 -6.376 0.543 5.145 1.00 14.24 H new ATOM 0 HE2 LYS A 91 -8.248 0.669 6.452 1.00 11.03 H new ATOM 0 HE3 LYS A 91 -8.767 -0.682 5.464 1.00 11.03 H new ATOM 0 HZ1 LYS A 91 -9.071 -1.145 7.809 1.00 53.32 H new ATOM 0 HZ2 LYS A 91 -7.920 -2.208 7.153 1.00 53.32 H new ATOM 0 HZ3 LYS A 91 -7.418 -0.899 8.110 1.00 53.32 H new ATOM 1379 N VAL A 92 -3.460 -0.326 1.979 1.00 2.42 N ATOM 1380 CA VAL A 92 -2.336 0.581 1.777 1.00 40.11 C ATOM 1381 C VAL A 92 -2.734 2.023 2.071 1.00 34.22 C ATOM 1382 O VAL A 92 -3.541 2.614 1.354 1.00 4.02 O ATOM 1383 CB VAL A 92 -1.794 0.493 0.339 1.00 41.42 C ATOM 1384 CG1 VAL A 92 -2.921 0.663 -0.668 1.00 44.23 C ATOM 1385 CG2 VAL A 92 -0.707 1.534 0.114 1.00 63.42 C ATOM 0 H VAL A 92 -4.278 -0.118 1.406 1.00 2.42 H new ATOM 0 HA VAL A 92 -1.554 0.274 2.471 1.00 40.11 H new ATOM 0 HB VAL A 92 -1.355 -0.494 0.195 1.00 41.42 H new ATOM 0 HG11 VAL A 92 -2.519 0.598 -1.679 1.00 44.23 H new ATOM 0 HG12 VAL A 92 -3.662 -0.123 -0.521 1.00 44.23 H new ATOM 0 HG13 VAL A 92 -3.391 1.636 -0.527 1.00 44.23 H new ATOM 0 HG21 VAL A 92 -0.335 1.457 -0.908 1.00 63.42 H new ATOM 0 HG22 VAL A 92 -1.118 2.530 0.277 1.00 63.42 H new ATOM 0 HG23 VAL A 92 0.112 1.361 0.812 1.00 63.42 H new ATOM 1395 N ALA A 93 -2.162 2.585 3.131 1.00 74.51 N ATOM 1396 CA ALA A 93 -2.455 3.959 3.519 1.00 11.11 C ATOM 1397 C ALA A 93 -1.181 4.796 3.579 1.00 21.01 C ATOM 1398 O ALA A 93 -0.106 4.286 3.895 1.00 3.13 O ATOM 1399 CB ALA A 93 -3.171 3.988 4.862 1.00 23.34 C ATOM 0 H ALA A 93 -1.493 2.109 3.736 1.00 74.51 H new ATOM 0 HA ALA A 93 -3.109 4.392 2.762 1.00 11.11 H new ATOM 0 HB1 ALA A 93 -3.383 5.021 5.139 1.00 23.34 H new ATOM 0 HB2 ALA A 93 -4.106 3.433 4.788 1.00 23.34 H new ATOM 0 HB3 ALA A 93 -2.537 3.532 5.622 1.00 23.34 H new ATOM 1405 N HIS A 94 -1.310 6.083 3.274 1.00 44.01 N ATOM 1406 CA HIS A 94 -0.168 6.990 3.292 1.00 55.23 C ATOM 1407 C HIS A 94 -0.314 8.024 4.406 1.00 11.50 C ATOM 1408 O HIS A 94 -1.410 8.522 4.665 1.00 43.03 O ATOM 1409 CB HIS A 94 -0.028 7.695 1.943 1.00 14.32 C ATOM 1410 CG HIS A 94 0.322 6.769 0.818 1.00 53.23 C ATOM 1411 ND1 HIS A 94 1.223 7.097 -0.174 1.00 72.21 N ATOM 1412 CD2 HIS A 94 -0.113 5.521 0.532 1.00 5.42 C ATOM 1413 CE1 HIS A 94 1.326 6.090 -1.021 1.00 23.01 C ATOM 1414 NE2 HIS A 94 0.525 5.120 -0.616 1.00 74.21 N ATOM 0 H HIS A 94 -2.193 6.521 3.012 1.00 44.01 H new ATOM 0 HA HIS A 94 0.730 6.401 3.481 1.00 55.23 H new ATOM 0 HB2 HIS A 94 -0.964 8.202 1.708 1.00 14.32 H new ATOM 0 HB3 HIS A 94 0.740 8.464 2.022 1.00 14.32 H new ATOM 0 HD2 HIS A 94 -0.829 4.946 1.101 1.00 5.42 H new ATOM 0 HE1 HIS A 94 1.958 6.063 -1.897 1.00 23.01 H new ATOM 0 HE2 HIS A 94 0.401 4.220 -1.080 1.00 74.21 H new ATOM 1421 N SER A 95 0.798 8.340 5.062 1.00 54.24 N ATOM 1422 CA SER A 95 0.793 9.311 6.150 1.00 63.44 C ATOM 1423 C SER A 95 1.830 10.403 5.910 1.00 24.02 C ATOM 1424 O SER A 95 2.947 10.128 5.472 1.00 3.12 O ATOM 1425 CB SER A 95 1.069 8.614 7.484 1.00 13.21 C ATOM 1426 OG SER A 95 2.434 8.730 7.846 1.00 75.33 O ATOM 0 H SER A 95 1.713 7.938 4.859 1.00 54.24 H new ATOM 0 HA SER A 95 -0.193 9.774 6.186 1.00 63.44 H new ATOM 0 HB2 SER A 95 0.444 9.052 8.263 1.00 13.21 H new ATOM 0 HB3 SER A 95 0.797 7.561 7.411 1.00 13.21 H new ATOM 0 HG SER A 95 2.991 8.299 7.164 1.00 75.33 H new ATOM 1431 N ASP A 96 1.452 11.644 6.199 1.00 4.40 N ATOM 1432 CA ASP A 96 2.349 12.779 6.015 1.00 24.13 C ATOM 1433 C ASP A 96 3.032 13.149 7.328 1.00 3.24 C ATOM 1434 O ASP A 96 4.226 13.449 7.355 1.00 5.44 O ATOM 1435 CB ASP A 96 1.578 13.982 5.469 1.00 21.34 C ATOM 1436 CG ASP A 96 0.482 14.442 6.410 1.00 51.33 C ATOM 1437 OD1 ASP A 96 -0.640 13.901 6.323 1.00 22.33 O ATOM 1438 OD2 ASP A 96 0.747 15.343 7.233 1.00 10.03 O ATOM 0 H ASP A 96 0.531 11.889 6.562 1.00 4.40 H new ATOM 0 HA ASP A 96 3.116 12.493 5.295 1.00 24.13 H new ATOM 0 HB2 ASP A 96 2.271 14.805 5.293 1.00 21.34 H new ATOM 0 HB3 ASP A 96 1.140 13.722 4.505 1.00 21.34 H new ATOM 1442 N ASP A 97 2.267 13.127 8.413 1.00 35.10 N ATOM 1443 CA ASP A 97 2.799 13.462 9.730 1.00 64.54 C ATOM 1444 C ASP A 97 3.217 12.202 10.482 1.00 72.10 C ATOM 1445 O ASP A 97 4.014 12.261 11.417 1.00 11.44 O ATOM 1446 CB ASP A 97 1.759 14.234 10.542 1.00 73.31 C ATOM 1447 CG ASP A 97 1.692 15.699 10.156 1.00 23.05 C ATOM 1448 OD1 ASP A 97 2.765 16.316 9.985 1.00 64.34 O ATOM 1449 OD2 ASP A 97 0.569 16.226 10.022 1.00 3.14 O ATOM 0 H ASP A 97 1.277 12.881 8.408 1.00 35.10 H new ATOM 0 HA ASP A 97 3.679 14.090 9.591 1.00 64.54 H new ATOM 0 HB2 ASP A 97 0.779 13.778 10.398 1.00 73.31 H new ATOM 0 HB3 ASP A 97 1.996 14.151 11.603 1.00 73.31 H new ATOM 1453 N GLY A 98 2.672 11.062 10.068 1.00 64.54 N ATOM 1454 CA GLY A 98 2.999 9.805 10.715 1.00 11.21 C ATOM 1455 C GLY A 98 1.841 9.247 11.518 1.00 31.14 C ATOM 1456 O GLY A 98 1.764 8.042 11.756 1.00 44.42 O ATOM 0 H GLY A 98 2.010 10.987 9.296 1.00 64.54 H new ATOM 0 HA2 GLY A 98 3.297 9.078 9.960 1.00 11.21 H new ATOM 0 HA3 GLY A 98 3.856 9.951 11.373 1.00 11.21 H new ATOM 1460 N VAL A 99 0.937 10.126 11.941 1.00 12.53 N ATOM 1461 CA VAL A 99 -0.222 9.716 12.723 1.00 1.11 C ATOM 1462 C VAL A 99 -1.467 9.615 11.850 1.00 3.45 C ATOM 1463 O VAL A 99 -2.323 8.758 12.069 1.00 55.01 O ATOM 1464 CB VAL A 99 -0.496 10.698 13.878 1.00 4.42 C ATOM 1465 CG1 VAL A 99 -0.762 12.095 13.339 1.00 5.34 C ATOM 1466 CG2 VAL A 99 -1.664 10.213 14.723 1.00 5.04 C ATOM 0 H VAL A 99 0.986 11.128 11.754 1.00 12.53 H new ATOM 0 HA VAL A 99 0.008 8.734 13.137 1.00 1.11 H new ATOM 0 HB VAL A 99 0.389 10.742 14.513 1.00 4.42 H new ATOM 0 HG11 VAL A 99 -0.953 12.775 14.169 1.00 5.34 H new ATOM 0 HG12 VAL A 99 0.107 12.441 12.780 1.00 5.34 H new ATOM 0 HG13 VAL A 99 -1.631 12.072 12.681 1.00 5.34 H new ATOM 0 HG21 VAL A 99 -1.844 10.918 15.534 1.00 5.04 H new ATOM 0 HG22 VAL A 99 -2.557 10.139 14.102 1.00 5.04 H new ATOM 0 HG23 VAL A 99 -1.430 9.233 15.139 1.00 5.04 H new ATOM 1476 N GLN A 100 -1.560 10.495 10.858 1.00 52.45 N ATOM 1477 CA GLN A 100 -2.702 10.505 9.950 1.00 32.34 C ATOM 1478 C GLN A 100 -2.484 9.538 8.792 1.00 44.43 C ATOM 1479 O GLN A 100 -1.762 9.843 7.843 1.00 54.04 O ATOM 1480 CB GLN A 100 -2.941 11.917 9.415 1.00 42.44 C ATOM 1481 CG GLN A 100 -3.177 12.950 10.504 1.00 71.55 C ATOM 1482 CD GLN A 100 -3.795 14.228 9.973 1.00 51.54 C ATOM 1483 OE1 GLN A 100 -5.013 14.328 9.825 1.00 55.11 O ATOM 1484 NE2 GLN A 100 -2.955 15.216 9.681 1.00 5.11 N ATOM 0 H GLN A 100 -0.859 11.210 10.662 1.00 52.45 H new ATOM 0 HA GLN A 100 -3.582 10.182 10.507 1.00 32.34 H new ATOM 0 HB2 GLN A 100 -2.081 12.221 8.819 1.00 42.44 H new ATOM 0 HB3 GLN A 100 -3.802 11.902 8.747 1.00 42.44 H new ATOM 0 HG2 GLN A 100 -3.829 12.525 11.267 1.00 71.55 H new ATOM 0 HG3 GLN A 100 -2.229 13.184 10.989 1.00 71.55 H new ATOM 0 HE21 GLN A 100 -1.952 15.090 9.819 1.00 5.11 H new ATOM 0 HE22 GLN A 100 -3.313 16.100 9.319 1.00 5.11 H new ATOM 1491 N TRP A 101 -3.111 8.371 8.876 1.00 61.35 N ATOM 1492 CA TRP A 101 -2.987 7.358 7.834 1.00 0.32 C ATOM 1493 C TRP A 101 -4.158 7.430 6.861 1.00 60.13 C ATOM 1494 O TRP A 101 -5.271 7.012 7.182 1.00 71.33 O ATOM 1495 CB TRP A 101 -2.908 5.963 8.456 1.00 0.14 C ATOM 1496 CG TRP A 101 -2.008 5.896 9.652 1.00 12.54 C ATOM 1497 CD1 TRP A 101 -0.848 6.591 9.844 1.00 13.41 C ATOM 1498 CD2 TRP A 101 -2.191 5.087 10.819 1.00 43.11 C ATOM 1499 NE1 TRP A 101 -0.299 6.263 11.061 1.00 70.33 N ATOM 1500 CE2 TRP A 101 -1.105 5.343 11.678 1.00 34.02 C ATOM 1501 CE3 TRP A 101 -3.168 4.173 11.222 1.00 61.02 C ATOM 1502 CZ2 TRP A 101 -0.970 4.717 12.915 1.00 60.25 C ATOM 1503 CZ3 TRP A 101 -3.033 3.552 12.450 1.00 44.41 C ATOM 1504 CH2 TRP A 101 -1.942 3.827 13.284 1.00 24.13 C ATOM 0 H TRP A 101 -3.711 8.102 9.656 1.00 61.35 H new ATOM 0 HA TRP A 101 -2.068 7.553 7.281 1.00 0.32 H new ATOM 0 HB2 TRP A 101 -3.910 5.645 8.746 1.00 0.14 H new ATOM 0 HB3 TRP A 101 -2.554 5.257 7.704 1.00 0.14 H new ATOM 0 HD1 TRP A 101 -0.424 7.295 9.143 1.00 13.41 H new ATOM 0 HE1 TRP A 101 0.567 6.643 11.442 1.00 70.33 H new ATOM 0 HE3 TRP A 101 -4.013 3.956 10.586 1.00 61.02 H new ATOM 0 HZ2 TRP A 101 -0.129 4.926 13.559 1.00 60.25 H new ATOM 0 HZ3 TRP A 101 -3.782 2.843 12.771 1.00 44.41 H new ATOM 0 HH2 TRP A 101 -1.866 3.326 14.238 1.00 24.13 H new ATOM 1514 N THR A 102 -3.902 7.962 5.670 1.00 64.42 N ATOM 1515 CA THR A 102 -4.937 8.088 4.652 1.00 2.43 C ATOM 1516 C THR A 102 -5.070 6.805 3.840 1.00 13.15 C ATOM 1517 O THR A 102 -4.191 6.466 3.047 1.00 12.21 O ATOM 1518 CB THR A 102 -4.642 9.259 3.694 1.00 24.41 C ATOM 1519 OG1 THR A 102 -4.614 10.491 4.423 1.00 40.14 O ATOM 1520 CG2 THR A 102 -5.691 9.337 2.596 1.00 72.02 C ATOM 0 H THR A 102 -2.987 8.312 5.387 1.00 64.42 H new ATOM 0 HA THR A 102 -5.873 8.282 5.176 1.00 2.43 H new ATOM 0 HB THR A 102 -3.669 9.087 3.233 1.00 24.41 H new ATOM 0 HG1 THR A 102 -4.424 11.230 3.808 1.00 40.14 H new ATOM 0 HG21 THR A 102 -5.462 10.171 1.932 1.00 72.02 H new ATOM 0 HG22 THR A 102 -5.690 8.408 2.025 1.00 72.02 H new ATOM 0 HG23 THR A 102 -6.674 9.488 3.042 1.00 72.02 H new ATOM 1528 N VAL A 103 -6.174 6.093 4.042 1.00 70.40 N ATOM 1529 CA VAL A 103 -6.423 4.847 3.328 1.00 32.34 C ATOM 1530 C VAL A 103 -7.235 5.092 2.062 1.00 40.13 C ATOM 1531 O VAL A 103 -7.900 6.121 1.927 1.00 21.05 O ATOM 1532 CB VAL A 103 -7.167 3.831 4.214 1.00 34.21 C ATOM 1533 CG1 VAL A 103 -6.276 3.362 5.354 1.00 35.11 C ATOM 1534 CG2 VAL A 103 -8.457 4.435 4.748 1.00 13.02 C ATOM 0 H VAL A 103 -6.911 6.359 4.695 1.00 70.40 H new ATOM 0 HA VAL A 103 -5.450 4.437 3.058 1.00 32.34 H new ATOM 0 HB VAL A 103 -7.423 2.964 3.606 1.00 34.21 H new ATOM 0 HG11 VAL A 103 -6.819 2.645 5.969 1.00 35.11 H new ATOM 0 HG12 VAL A 103 -5.383 2.888 4.947 1.00 35.11 H new ATOM 0 HG13 VAL A 103 -5.986 4.217 5.965 1.00 35.11 H new ATOM 0 HG21 VAL A 103 -8.970 3.703 5.372 1.00 13.02 H new ATOM 0 HG22 VAL A 103 -8.226 5.320 5.341 1.00 13.02 H new ATOM 0 HG23 VAL A 103 -9.100 4.715 3.914 1.00 13.02 H new ATOM 1544 N TYR A 104 -7.179 4.141 1.136 1.00 71.23 N ATOM 1545 CA TYR A 104 -7.910 4.255 -0.121 1.00 1.55 C ATOM 1546 C TYR A 104 -9.372 3.863 0.061 1.00 22.40 C ATOM 1547 O TYR A 104 -9.868 2.952 -0.602 1.00 64.53 O ATOM 1548 CB TYR A 104 -7.263 3.374 -1.191 1.00 23.25 C ATOM 1549 CG TYR A 104 -5.998 3.960 -1.776 1.00 55.22 C ATOM 1550 CD1 TYR A 104 -5.960 5.275 -2.223 1.00 42.43 C ATOM 1551 CD2 TYR A 104 -4.839 3.201 -1.878 1.00 24.32 C ATOM 1552 CE1 TYR A 104 -4.807 5.815 -2.759 1.00 40.11 C ATOM 1553 CE2 TYR A 104 -3.680 3.732 -2.411 1.00 53.12 C ATOM 1554 CZ TYR A 104 -3.670 5.040 -2.850 1.00 5.33 C ATOM 1555 OH TYR A 104 -2.518 5.574 -3.382 1.00 34.40 O ATOM 0 H TYR A 104 -6.636 3.283 1.232 1.00 71.23 H new ATOM 0 HA TYR A 104 -7.870 5.296 -0.443 1.00 1.55 H new ATOM 0 HB2 TYR A 104 -7.036 2.400 -0.758 1.00 23.25 H new ATOM 0 HB3 TYR A 104 -7.981 3.206 -1.994 1.00 23.25 H new ATOM 0 HD1 TYR A 104 -6.848 5.886 -2.150 1.00 42.43 H new ATOM 0 HD2 TYR A 104 -4.844 2.177 -1.534 1.00 24.32 H new ATOM 0 HE1 TYR A 104 -4.796 6.838 -3.105 1.00 40.11 H new ATOM 0 HE2 TYR A 104 -2.788 3.127 -2.483 1.00 53.12 H new ATOM 0 HH TYR A 104 -1.803 5.543 -2.712 1.00 34.40 H new ATOM 1632 N LYS A 111 -12.089 0.441 3.485 1.00 41.51 N ATOM 1633 CA LYS A 111 -11.985 -1.013 3.448 1.00 1.31 C ATOM 1634 C LYS A 111 -10.614 -1.447 2.939 1.00 1.50 C ATOM 1635 O LYS A 111 -9.705 -0.628 2.797 1.00 30.13 O ATOM 1636 CB LYS A 111 -13.081 -1.602 2.557 1.00 73.22 C ATOM 1637 CG LYS A 111 -13.821 -2.767 3.192 1.00 51.11 C ATOM 1638 CD LYS A 111 -14.567 -2.336 4.444 1.00 30.21 C ATOM 1639 CE LYS A 111 -16.070 -2.298 4.211 1.00 32.42 C ATOM 1640 NZ LYS A 111 -16.671 -3.661 4.242 1.00 1.52 N ATOM 0 HA LYS A 111 -12.112 -1.387 4.464 1.00 1.31 H new ATOM 0 HB2 LYS A 111 -13.797 -0.818 2.311 1.00 73.22 H new ATOM 0 HB3 LYS A 111 -12.636 -1.933 1.619 1.00 73.22 H new ATOM 0 HG2 LYS A 111 -14.525 -3.187 2.474 1.00 51.11 H new ATOM 0 HG3 LYS A 111 -13.112 -3.556 3.443 1.00 51.11 H new ATOM 0 HD2 LYS A 111 -14.341 -3.024 5.259 1.00 30.21 H new ATOM 0 HD3 LYS A 111 -14.221 -1.350 4.754 1.00 30.21 H new ATOM 0 HE2 LYS A 111 -16.540 -1.676 4.973 1.00 32.42 H new ATOM 0 HE3 LYS A 111 -16.276 -1.832 3.248 1.00 32.42 H new ATOM 0 HZ1 LYS A 111 -17.696 -3.592 4.079 1.00 1.52 H new ATOM 0 HZ2 LYS A 111 -16.241 -4.247 3.498 1.00 1.52 H new ATOM 0 HZ3 LYS A 111 -16.496 -4.096 5.170 1.00 1.52 H new ATOM 1650 N VAL A 112 -10.472 -2.740 2.662 1.00 35.43 N ATOM 1651 CA VAL A 112 -9.213 -3.282 2.167 1.00 2.24 C ATOM 1652 C VAL A 112 -9.248 -3.457 0.653 1.00 54.11 C ATOM 1653 O VAL A 112 -10.260 -3.872 0.088 1.00 61.43 O ATOM 1654 CB VAL A 112 -8.888 -4.638 2.821 1.00 33.32 C ATOM 1655 CG1 VAL A 112 -7.384 -4.819 2.958 1.00 12.13 C ATOM 1656 CG2 VAL A 112 -9.573 -4.752 4.175 1.00 2.25 C ATOM 0 H VAL A 112 -11.214 -3.431 2.772 1.00 35.43 H new ATOM 0 HA VAL A 112 -8.435 -2.565 2.430 1.00 2.24 H new ATOM 0 HB VAL A 112 -9.267 -5.433 2.178 1.00 33.32 H new ATOM 0 HG11 VAL A 112 -7.174 -5.783 3.422 1.00 12.13 H new ATOM 0 HG12 VAL A 112 -6.922 -4.783 1.971 1.00 12.13 H new ATOM 0 HG13 VAL A 112 -6.977 -4.021 3.579 1.00 12.13 H new ATOM 0 HG21 VAL A 112 -9.333 -5.716 4.624 1.00 2.25 H new ATOM 0 HG22 VAL A 112 -9.225 -3.951 4.827 1.00 2.25 H new ATOM 0 HG23 VAL A 112 -10.652 -4.671 4.045 1.00 2.25 H new ATOM 1666 N PHE A 113 -8.136 -3.137 -0.001 1.00 24.43 N ATOM 1667 CA PHE A 113 -8.039 -3.259 -1.451 1.00 72.05 C ATOM 1668 C PHE A 113 -7.969 -4.724 -1.871 1.00 12.11 C ATOM 1669 O PHE A 113 -6.927 -5.365 -1.746 1.00 3.12 O ATOM 1670 CB PHE A 113 -6.808 -2.510 -1.965 1.00 51.23 C ATOM 1671 CG PHE A 113 -7.141 -1.236 -2.689 1.00 1.10 C ATOM 1672 CD1 PHE A 113 -8.096 -0.367 -2.186 1.00 12.41 C ATOM 1673 CD2 PHE A 113 -6.500 -0.909 -3.874 1.00 74.34 C ATOM 1674 CE1 PHE A 113 -8.403 0.806 -2.850 1.00 71.44 C ATOM 1675 CE2 PHE A 113 -6.805 0.263 -4.541 1.00 1.55 C ATOM 1676 CZ PHE A 113 -7.758 1.120 -4.029 1.00 11.30 C ATOM 0 H PHE A 113 -7.289 -2.791 0.450 1.00 24.43 H new ATOM 0 HA PHE A 113 -8.934 -2.817 -1.888 1.00 72.05 H new ATOM 0 HB2 PHE A 113 -6.155 -2.280 -1.123 1.00 51.23 H new ATOM 0 HB3 PHE A 113 -6.248 -3.163 -2.634 1.00 51.23 H new ATOM 0 HD1 PHE A 113 -8.606 -0.609 -1.265 1.00 12.41 H new ATOM 0 HD2 PHE A 113 -5.755 -1.577 -4.280 1.00 74.34 H new ATOM 0 HE1 PHE A 113 -9.147 1.476 -2.446 1.00 71.44 H new ATOM 0 HE2 PHE A 113 -6.298 0.508 -5.462 1.00 1.55 H new ATOM 0 HZ PHE A 113 -7.999 2.035 -4.550 1.00 11.30 H new ATOM 1685 N GLN A 114 -9.086 -5.245 -2.367 1.00 63.32 N ATOM 1686 CA GLN A 114 -9.152 -6.635 -2.804 1.00 32.11 C ATOM 1687 C GLN A 114 -9.320 -6.722 -4.317 1.00 44.12 C ATOM 1688 O GLN A 114 -10.091 -5.970 -4.911 1.00 60.30 O ATOM 1689 CB GLN A 114 -10.308 -7.356 -2.108 1.00 50.54 C ATOM 1690 CG GLN A 114 -10.326 -7.164 -0.601 1.00 32.43 C ATOM 1691 CD GLN A 114 -11.684 -6.737 -0.082 1.00 42.14 C ATOM 1692 OE1 GLN A 114 -11.788 -5.848 0.765 1.00 22.13 O ATOM 1693 NE2 GLN A 114 -12.737 -7.368 -0.588 1.00 23.03 N ATOM 0 H GLN A 114 -9.957 -4.726 -2.476 1.00 63.32 H new ATOM 0 HA GLN A 114 -8.214 -7.120 -2.532 1.00 32.11 H new ATOM 0 HB2 GLN A 114 -11.250 -6.998 -2.523 1.00 50.54 H new ATOM 0 HB3 GLN A 114 -10.246 -8.422 -2.329 1.00 50.54 H new ATOM 0 HG2 GLN A 114 -10.033 -8.095 -0.117 1.00 32.43 H new ATOM 0 HG3 GLN A 114 -9.584 -6.414 -0.325 1.00 32.43 H new ATOM 0 HE21 GLN A 114 -12.606 -8.098 -1.288 1.00 23.03 H new ATOM 0 HE22 GLN A 114 -13.677 -7.122 -0.277 1.00 23.03 H new ATOM 1700 N GLY A 115 -8.591 -7.646 -4.936 1.00 3.42 N ATOM 1701 CA GLY A 115 -8.673 -7.814 -6.375 1.00 24.31 C ATOM 1702 C GLY A 115 -7.336 -7.610 -7.060 1.00 42.02 C ATOM 1703 O GLY A 115 -6.767 -6.521 -7.011 1.00 45.40 O ATOM 0 H GLY A 115 -7.945 -8.281 -4.466 1.00 3.42 H new ATOM 0 HA2 GLY A 115 -9.044 -8.814 -6.600 1.00 24.31 H new ATOM 0 HA3 GLY A 115 -9.397 -7.106 -6.780 1.00 24.31 H new ATOM 1707 N ASN A 116 -6.834 -8.662 -7.698 1.00 10.53 N ATOM 1708 CA ASN A 116 -5.553 -8.594 -8.394 1.00 75.43 C ATOM 1709 C ASN A 116 -5.617 -9.339 -9.724 1.00 33.11 C ATOM 1710 O ASN A 116 -5.706 -10.567 -9.755 1.00 1.53 O ATOM 1711 CB ASN A 116 -4.442 -9.179 -7.520 1.00 62.24 C ATOM 1712 CG ASN A 116 -3.518 -8.111 -6.967 1.00 5.02 C ATOM 1713 OD1 ASN A 116 -3.800 -7.505 -5.935 1.00 13.12 O ATOM 1714 ND2 ASN A 116 -2.406 -7.878 -7.656 1.00 60.43 N ATOM 0 H ASN A 116 -7.294 -9.571 -7.748 1.00 10.53 H new ATOM 0 HA ASN A 116 -5.332 -7.546 -8.596 1.00 75.43 H new ATOM 0 HB2 ASN A 116 -4.887 -9.733 -6.694 1.00 62.24 H new ATOM 0 HB3 ASN A 116 -3.860 -9.891 -8.105 1.00 62.24 H new ATOM 0 HD21 ASN A 116 -1.745 -7.171 -7.333 1.00 60.43 H new ATOM 0 HD22 ASN A 116 -2.214 -8.406 -8.507 1.00 60.43 H new ATOM 1720 N LEU A 117 -5.570 -8.589 -10.818 1.00 42.44 N ATOM 1721 CA LEU A 117 -5.621 -9.178 -12.152 1.00 63.11 C ATOM 1722 C LEU A 117 -4.648 -10.347 -12.269 1.00 72.30 C ATOM 1723 O LEU A 117 -4.991 -11.402 -12.804 1.00 35.13 O ATOM 1724 CB LEU A 117 -5.296 -8.122 -13.211 1.00 21.12 C ATOM 1725 CG LEU A 117 -6.242 -6.922 -13.273 1.00 64.01 C ATOM 1726 CD1 LEU A 117 -5.534 -5.717 -13.873 1.00 74.23 C ATOM 1727 CD2 LEU A 117 -7.488 -7.266 -14.077 1.00 2.54 C ATOM 0 H LEU A 117 -5.497 -7.572 -10.809 1.00 42.44 H new ATOM 0 HA LEU A 117 -6.631 -9.552 -12.318 1.00 63.11 H new ATOM 0 HB2 LEU A 117 -4.286 -7.754 -13.031 1.00 21.12 H new ATOM 0 HB3 LEU A 117 -5.290 -8.606 -14.188 1.00 21.12 H new ATOM 0 HG LEU A 117 -6.548 -6.671 -12.257 1.00 64.01 H new ATOM 0 HD11 LEU A 117 -6.222 -4.872 -13.910 1.00 74.23 H new ATOM 0 HD12 LEU A 117 -4.673 -5.457 -13.258 1.00 74.23 H new ATOM 0 HD13 LEU A 117 -5.200 -5.957 -14.882 1.00 74.23 H new ATOM 0 HD21 LEU A 117 -8.150 -6.401 -14.111 1.00 2.54 H new ATOM 0 HD22 LEU A 117 -7.201 -7.543 -15.091 1.00 2.54 H new ATOM 0 HD23 LEU A 117 -8.006 -8.101 -13.605 1.00 2.54 H new ATOM 1738 N ASP A 118 -3.435 -10.153 -11.763 1.00 52.13 N ATOM 1739 CA ASP A 118 -2.413 -11.193 -11.807 1.00 52.43 C ATOM 1740 C ASP A 118 -1.066 -10.649 -11.342 1.00 25.34 C ATOM 1741 O ASP A 118 -0.975 -9.526 -10.849 1.00 44.41 O ATOM 1742 CB ASP A 118 -2.289 -11.756 -13.224 1.00 53.10 C ATOM 1743 CG ASP A 118 -2.614 -13.235 -13.290 1.00 40.45 C ATOM 1744 OD1 ASP A 118 -2.063 -14.000 -12.471 1.00 61.54 O ATOM 1745 OD2 ASP A 118 -3.418 -13.627 -14.162 1.00 60.44 O ATOM 0 H ASP A 118 -3.135 -9.286 -11.318 1.00 52.13 H new ATOM 0 HA ASP A 118 -2.714 -11.994 -11.132 1.00 52.43 H new ATOM 0 HB2 ASP A 118 -2.958 -11.210 -13.889 1.00 53.10 H new ATOM 0 HB3 ASP A 118 -1.275 -11.593 -13.589 1.00 53.10 H new ATOM 1749 N ASN A 119 -0.021 -11.457 -11.501 1.00 74.34 N ATOM 1750 CA ASN A 119 1.321 -11.058 -11.096 1.00 14.04 C ATOM 1751 C ASN A 119 1.948 -10.127 -12.130 1.00 23.43 C ATOM 1752 O ASN A 119 2.732 -9.242 -11.789 1.00 44.22 O ATOM 1753 CB ASN A 119 2.205 -12.291 -10.901 1.00 4.33 C ATOM 1754 CG ASN A 119 2.802 -12.786 -12.204 1.00 0.54 C ATOM 1755 OD1 ASN A 119 2.082 -13.077 -13.159 1.00 23.42 O ATOM 1756 ND2 ASN A 119 4.126 -12.883 -12.249 1.00 71.03 N ATOM 0 H ASN A 119 -0.079 -12.391 -11.907 1.00 74.34 H new ATOM 0 HA ASN A 119 1.243 -10.521 -10.150 1.00 14.04 H new ATOM 0 HB2 ASN A 119 3.008 -12.052 -10.204 1.00 4.33 H new ATOM 0 HB3 ASN A 119 1.616 -13.089 -10.448 1.00 4.33 H new ATOM 0 HD21 ASN A 119 4.585 -13.210 -13.099 1.00 71.03 H new ATOM 0 HD22 ASN A 119 4.684 -12.631 -11.433 1.00 71.03 H new ATOM 1762 N ASN A 120 1.596 -10.334 -13.395 1.00 72.45 N ATOM 1763 CA ASN A 120 2.123 -9.514 -14.478 1.00 5.43 C ATOM 1764 C ASN A 120 1.226 -8.306 -14.733 1.00 3.21 C ATOM 1765 O ASN A 120 1.709 -7.187 -14.905 1.00 30.33 O ATOM 1766 CB ASN A 120 2.254 -10.345 -15.758 1.00 34.44 C ATOM 1767 CG ASN A 120 0.972 -11.075 -16.106 1.00 53.21 C ATOM 1768 OD1 ASN A 120 0.615 -12.065 -15.468 1.00 44.23 O ATOM 1769 ND2 ASN A 120 0.272 -10.587 -17.124 1.00 54.42 N ATOM 0 H ASN A 120 0.948 -11.063 -13.694 1.00 72.45 H new ATOM 0 HA ASN A 120 3.109 -9.156 -14.182 1.00 5.43 H new ATOM 0 HB2 ASN A 120 2.533 -9.692 -16.585 1.00 34.44 H new ATOM 0 HB3 ASN A 120 3.060 -11.069 -15.637 1.00 34.44 H new ATOM 0 HD21 ASN A 120 -0.600 -11.036 -17.405 1.00 54.42 H new ATOM 0 HD22 ASN A 120 0.606 -9.764 -17.625 1.00 54.42 H new ATOM 1775 N SER A 121 -0.082 -8.542 -14.756 1.00 11.54 N ATOM 1776 CA SER A 121 -1.046 -7.475 -14.993 1.00 33.20 C ATOM 1777 C SER A 121 -0.817 -6.312 -14.031 1.00 11.22 C ATOM 1778 O SER A 121 -0.884 -6.476 -12.813 1.00 62.21 O ATOM 1779 CB SER A 121 -2.473 -8.004 -14.838 1.00 64.13 C ATOM 1780 OG SER A 121 -2.766 -8.974 -15.830 1.00 21.51 O ATOM 0 H SER A 121 -0.498 -9.462 -14.613 1.00 11.54 H new ATOM 0 HA SER A 121 -0.908 -7.115 -16.012 1.00 33.20 H new ATOM 0 HB2 SER A 121 -2.596 -8.443 -13.848 1.00 64.13 H new ATOM 0 HB3 SER A 121 -3.181 -7.178 -14.911 1.00 64.13 H new ATOM 0 HG SER A 121 -3.683 -9.299 -15.709 1.00 21.51 H new ATOM 1785 N HIS A 122 -0.546 -5.137 -14.589 1.00 14.31 N ATOM 1786 CA HIS A 122 -0.306 -3.945 -13.781 1.00 43.44 C ATOM 1787 C HIS A 122 -1.619 -3.238 -13.454 1.00 3.52 C ATOM 1788 O HIS A 122 -2.471 -3.054 -14.324 1.00 22.30 O ATOM 1789 CB HIS A 122 0.634 -2.987 -14.515 1.00 73.43 C ATOM 1790 CG HIS A 122 -0.021 -2.254 -15.644 1.00 53.30 C ATOM 1791 ND1 HIS A 122 0.075 -0.888 -15.811 1.00 21.11 N ATOM 1792 CD2 HIS A 122 -0.784 -2.703 -16.669 1.00 13.15 C ATOM 1793 CE1 HIS A 122 -0.601 -0.529 -16.887 1.00 42.34 C ATOM 1794 NE2 HIS A 122 -1.131 -1.612 -17.427 1.00 24.50 N ATOM 0 H HIS A 122 -0.487 -4.984 -15.596 1.00 14.31 H new ATOM 0 HA HIS A 122 0.162 -4.256 -12.847 1.00 43.44 H new ATOM 0 HB2 HIS A 122 1.030 -2.263 -13.803 1.00 73.43 H new ATOM 0 HB3 HIS A 122 1.483 -3.550 -14.902 1.00 73.43 H new ATOM 0 HD2 HIS A 122 -1.067 -3.728 -16.855 1.00 13.15 H new ATOM 0 HE1 HIS A 122 -0.703 0.479 -17.262 1.00 42.34 H new ATOM 0 HE2 HIS A 122 -1.705 -1.634 -18.270 1.00 24.50 H new ATOM 1801 N LYS A 123 -1.774 -2.844 -12.195 1.00 13.20 N ATOM 1802 CA LYS A 123 -2.981 -2.157 -11.752 1.00 73.12 C ATOM 1803 C LYS A 123 -2.658 -0.746 -11.269 1.00 22.42 C ATOM 1804 O LYS A 123 -2.408 -0.527 -10.083 1.00 71.51 O ATOM 1805 CB LYS A 123 -3.661 -2.948 -10.632 1.00 73.32 C ATOM 1806 CG LYS A 123 -5.011 -2.384 -10.222 1.00 24.33 C ATOM 1807 CD LYS A 123 -6.095 -3.448 -10.261 1.00 5.02 C ATOM 1808 CE LYS A 123 -7.423 -2.910 -9.750 1.00 22.15 C ATOM 1809 NZ LYS A 123 -8.499 -3.027 -10.773 1.00 34.03 N ATOM 0 H LYS A 123 -1.079 -2.989 -11.463 1.00 13.20 H new ATOM 0 HA LYS A 123 -3.660 -2.085 -12.601 1.00 73.12 H new ATOM 0 HB2 LYS A 123 -3.791 -3.981 -10.955 1.00 73.32 H new ATOM 0 HB3 LYS A 123 -3.005 -2.967 -9.762 1.00 73.32 H new ATOM 0 HG2 LYS A 123 -4.943 -1.969 -9.216 1.00 24.33 H new ATOM 0 HG3 LYS A 123 -5.281 -1.564 -10.887 1.00 24.33 H new ATOM 0 HD2 LYS A 123 -6.216 -3.808 -11.283 1.00 5.02 H new ATOM 0 HD3 LYS A 123 -5.790 -4.302 -9.656 1.00 5.02 H new ATOM 0 HE2 LYS A 123 -7.714 -3.455 -8.852 1.00 22.15 H new ATOM 0 HE3 LYS A 123 -7.306 -1.865 -9.464 1.00 22.15 H new ATOM 0 HZ1 LYS A 123 -9.388 -2.650 -10.387 1.00 34.03 H new ATOM 0 HZ2 LYS A 123 -8.233 -2.486 -11.620 1.00 34.03 H new ATOM 0 HZ3 LYS A 123 -8.629 -4.027 -11.027 1.00 34.03 H new ATOM 1819 N LYS A 124 -2.667 0.208 -12.193 1.00 5.55 N ATOM 1820 CA LYS A 124 -2.378 1.597 -11.862 1.00 1.41 C ATOM 1821 C LYS A 124 -3.648 2.334 -11.450 1.00 42.35 C ATOM 1822 O LYS A 124 -4.635 2.346 -12.185 1.00 55.34 O ATOM 1823 CB LYS A 124 -1.730 2.304 -13.055 1.00 44.43 C ATOM 1824 CG LYS A 124 -1.606 3.807 -12.879 1.00 34.12 C ATOM 1825 CD LYS A 124 -0.540 4.390 -13.792 1.00 70.45 C ATOM 1826 CE LYS A 124 -0.978 5.723 -14.379 1.00 62.32 C ATOM 1827 NZ LYS A 124 -0.338 5.986 -15.698 1.00 63.45 N ATOM 0 H LYS A 124 -2.872 0.044 -13.179 1.00 5.55 H new ATOM 0 HA LYS A 124 -1.684 1.606 -11.021 1.00 1.41 H new ATOM 0 HB2 LYS A 124 -0.738 1.883 -13.221 1.00 44.43 H new ATOM 0 HB3 LYS A 124 -2.317 2.099 -13.950 1.00 44.43 H new ATOM 0 HG2 LYS A 124 -2.565 4.279 -13.091 1.00 34.12 H new ATOM 0 HG3 LYS A 124 -1.361 4.034 -11.841 1.00 34.12 H new ATOM 0 HD2 LYS A 124 0.386 4.524 -13.233 1.00 70.45 H new ATOM 0 HD3 LYS A 124 -0.327 3.688 -14.598 1.00 70.45 H new ATOM 0 HE2 LYS A 124 -2.062 5.731 -14.493 1.00 62.32 H new ATOM 0 HE3 LYS A 124 -0.725 6.526 -13.686 1.00 62.32 H new ATOM 0 HZ1 LYS A 124 -0.662 6.904 -16.064 1.00 63.45 H new ATOM 0 HZ2 LYS A 124 0.696 6.004 -15.585 1.00 63.45 H new ATOM 0 HZ3 LYS A 124 -0.600 5.234 -16.367 1.00 63.45 H new ATOM 1837 N ASN A 125 -3.615 2.949 -10.272 1.00 60.01 N ATOM 1838 CA ASN A 125 -4.764 3.689 -9.764 1.00 44.11 C ATOM 1839 C ASN A 125 -4.542 5.192 -9.890 1.00 53.44 C ATOM 1840 O ASN A 125 -3.466 5.700 -9.572 1.00 55.02 O ATOM 1841 CB ASN A 125 -5.027 3.322 -8.301 1.00 43.41 C ATOM 1842 CG ASN A 125 -4.810 1.846 -8.028 1.00 40.54 C ATOM 1843 OD1 ASN A 125 -3.678 1.363 -8.028 1.00 34.54 O ATOM 1844 ND2 ASN A 125 -5.899 1.122 -7.794 1.00 70.43 N ATOM 0 H ASN A 125 -2.805 2.949 -9.652 1.00 60.01 H new ATOM 0 HA ASN A 125 -5.633 3.417 -10.362 1.00 44.11 H new ATOM 0 HB2 ASN A 125 -4.370 3.908 -7.658 1.00 43.41 H new ATOM 0 HB3 ASN A 125 -6.051 3.590 -8.040 1.00 43.41 H new ATOM 0 HD21 ASN A 125 -5.816 0.123 -7.604 1.00 70.43 H new ATOM 0 HD22 ASN A 125 -6.818 1.565 -7.804 1.00 70.43 H new ATOM 1850 N ILE A 126 -5.566 5.899 -10.357 1.00 53.25 N ATOM 1851 CA ILE A 126 -5.483 7.344 -10.524 1.00 54.30 C ATOM 1852 C ILE A 126 -5.270 8.041 -9.185 1.00 13.13 C ATOM 1853 O ILE A 126 -5.251 7.399 -8.134 1.00 51.44 O ATOM 1854 CB ILE A 126 -6.754 7.910 -11.186 1.00 24.43 C ATOM 1855 CG1 ILE A 126 -6.409 9.121 -12.054 1.00 53.24 C ATOM 1856 CG2 ILE A 126 -7.781 8.283 -10.128 1.00 11.31 C ATOM 1857 CD1 ILE A 126 -7.016 9.066 -13.438 1.00 62.43 C ATOM 0 H ILE A 126 -6.463 5.494 -10.626 1.00 53.25 H new ATOM 0 HA ILE A 126 -4.628 7.537 -11.173 1.00 54.30 H new ATOM 0 HB ILE A 126 -7.185 7.141 -11.827 1.00 24.43 H new ATOM 0 HG12 ILE A 126 -6.751 10.026 -11.552 1.00 53.24 H new ATOM 0 HG13 ILE A 126 -5.325 9.196 -12.144 1.00 53.24 H new ATOM 0 HG21 ILE A 126 -8.673 8.681 -10.611 1.00 11.31 H new ATOM 0 HG22 ILE A 126 -8.046 7.398 -9.550 1.00 11.31 H new ATOM 0 HG23 ILE A 126 -7.361 9.038 -9.463 1.00 11.31 H new ATOM 0 HD11 ILE A 126 -6.729 9.957 -13.997 1.00 62.43 H new ATOM 0 HD12 ILE A 126 -6.655 8.179 -13.959 1.00 62.43 H new ATOM 0 HD13 ILE A 126 -8.102 9.022 -13.357 1.00 62.43 H new ATOM 1868 N PHE A 127 -5.109 9.361 -9.229 1.00 25.02 N ATOM 1869 CA PHE A 127 -4.897 10.145 -8.018 1.00 10.41 C ATOM 1870 C PHE A 127 -6.183 10.249 -7.205 1.00 22.10 C ATOM 1871 O PHE A 127 -6.839 11.290 -7.194 1.00 53.14 O ATOM 1872 CB PHE A 127 -4.391 11.545 -8.375 1.00 3.43 C ATOM 1873 CG PHE A 127 -4.954 12.076 -9.661 1.00 45.52 C ATOM 1874 CD1 PHE A 127 -6.197 12.688 -9.689 1.00 55.02 C ATOM 1875 CD2 PHE A 127 -4.242 11.962 -10.845 1.00 60.40 C ATOM 1876 CE1 PHE A 127 -6.718 13.180 -10.871 1.00 24.33 C ATOM 1877 CE2 PHE A 127 -4.758 12.451 -12.030 1.00 14.21 C ATOM 1878 CZ PHE A 127 -5.998 13.059 -12.043 1.00 42.44 C ATOM 0 H PHE A 127 -5.121 9.909 -10.089 1.00 25.02 H new ATOM 0 HA PHE A 127 -4.146 9.637 -7.413 1.00 10.41 H new ATOM 0 HB2 PHE A 127 -4.644 12.231 -7.566 1.00 3.43 H new ATOM 0 HB3 PHE A 127 -3.304 11.522 -8.446 1.00 3.43 H new ATOM 0 HD1 PHE A 127 -6.766 12.782 -8.776 1.00 55.02 H new ATOM 0 HD2 PHE A 127 -3.273 11.485 -10.841 1.00 60.40 H new ATOM 0 HE1 PHE A 127 -7.686 13.658 -10.878 1.00 24.33 H new ATOM 0 HE2 PHE A 127 -4.192 12.358 -12.945 1.00 14.21 H new ATOM 0 HZ PHE A 127 -6.404 13.439 -12.969 1.00 42.44 H new ATOM 1887 N GLU A 128 -6.537 9.162 -6.527 1.00 24.40 N ATOM 1888 CA GLU A 128 -7.747 9.130 -5.713 1.00 15.22 C ATOM 1889 C GLU A 128 -7.632 10.091 -4.532 1.00 41.11 C ATOM 1890 O GLU A 128 -8.637 10.493 -3.944 1.00 22.22 O ATOM 1891 CB GLU A 128 -8.010 7.711 -5.206 1.00 53.02 C ATOM 1892 CG GLU A 128 -9.483 7.342 -5.167 1.00 62.24 C ATOM 1893 CD GLU A 128 -10.291 8.259 -4.270 1.00 53.55 C ATOM 1894 OE1 GLU A 128 -10.012 8.297 -3.054 1.00 41.11 O ATOM 1895 OE2 GLU A 128 -11.203 8.939 -4.786 1.00 13.14 O ATOM 0 H GLU A 128 -6.004 8.292 -6.525 1.00 24.40 H new ATOM 0 HA GLU A 128 -8.583 9.445 -6.337 1.00 15.22 H new ATOM 0 HB2 GLU A 128 -7.483 7.002 -5.845 1.00 53.02 H new ATOM 0 HB3 GLU A 128 -7.592 7.609 -4.205 1.00 53.02 H new ATOM 0 HG2 GLU A 128 -9.890 7.378 -6.178 1.00 62.24 H new ATOM 0 HG3 GLU A 128 -9.587 6.315 -4.818 1.00 62.24 H new ATOM 1900 N LYS A 129 -6.401 10.455 -4.190 1.00 54.12 N ATOM 1901 CA LYS A 129 -6.153 11.369 -3.082 1.00 60.30 C ATOM 1902 C LYS A 129 -4.705 11.845 -3.083 1.00 15.25 C ATOM 1903 O LYS A 129 -3.892 11.441 -2.250 1.00 54.13 O ATOM 1904 CB LYS A 129 -6.476 10.687 -1.750 1.00 1.32 C ATOM 1905 CG LYS A 129 -7.861 11.015 -1.218 1.00 14.15 C ATOM 1906 CD LYS A 129 -7.787 11.773 0.097 1.00 61.24 C ATOM 1907 CE LYS A 129 -9.127 12.399 0.455 1.00 5.03 C ATOM 1908 NZ LYS A 129 -9.040 13.225 1.691 1.00 4.04 N ATOM 0 H LYS A 129 -5.559 10.130 -4.665 1.00 54.12 H new ATOM 0 HA LYS A 129 -6.802 12.236 -3.207 1.00 60.30 H new ATOM 0 HB2 LYS A 129 -6.390 9.607 -1.874 1.00 1.32 H new ATOM 0 HB3 LYS A 129 -5.732 10.983 -1.010 1.00 1.32 H new ATOM 0 HG2 LYS A 129 -8.402 11.611 -1.953 1.00 14.15 H new ATOM 0 HG3 LYS A 129 -8.425 10.093 -1.077 1.00 14.15 H new ATOM 0 HD2 LYS A 129 -7.477 11.095 0.892 1.00 61.24 H new ATOM 0 HD3 LYS A 129 -7.027 12.552 0.027 1.00 61.24 H new ATOM 0 HE2 LYS A 129 -9.471 13.019 -0.373 1.00 5.03 H new ATOM 0 HE3 LYS A 129 -9.869 11.613 0.595 1.00 5.03 H new ATOM 0 HZ1 LYS A 129 -9.973 13.634 1.902 1.00 4.04 H new ATOM 0 HZ2 LYS A 129 -8.736 12.628 2.487 1.00 4.04 H new ATOM 0 HZ3 LYS A 129 -8.350 13.990 1.549 1.00 4.04 H new ATOM 1918 N PRO A 130 -4.370 12.726 -4.038 1.00 63.21 N ATOM 1919 CA PRO A 130 -3.019 13.278 -4.169 1.00 31.03 C ATOM 1920 C PRO A 130 -2.669 14.231 -3.031 1.00 41.40 C ATOM 1921 O PRO A 130 -3.511 15.006 -2.577 1.00 52.11 O ATOM 1922 CB PRO A 130 -3.070 14.030 -5.500 1.00 53.44 C ATOM 1923 CG PRO A 130 -4.508 14.376 -5.684 1.00 10.33 C ATOM 1924 CD PRO A 130 -5.287 13.250 -5.063 1.00 41.35 C ATOM 0 HA PRO A 130 -2.256 12.500 -4.133 1.00 31.03 H new ATOM 0 HB2 PRO A 130 -2.448 14.925 -5.474 1.00 53.44 H new ATOM 0 HB3 PRO A 130 -2.704 13.411 -6.319 1.00 53.44 H new ATOM 0 HG2 PRO A 130 -4.745 15.326 -5.205 1.00 10.33 H new ATOM 0 HG3 PRO A 130 -4.752 14.483 -6.741 1.00 10.33 H new ATOM 0 HD2 PRO A 130 -6.221 13.601 -4.625 1.00 41.35 H new ATOM 0 HD3 PRO A 130 -5.546 12.488 -5.798 1.00 41.35 H new ATOM 1929 N PHE A 131 -1.422 14.169 -2.575 1.00 65.25 N ATOM 1930 CA PHE A 131 -0.962 15.026 -1.490 1.00 72.53 C ATOM 1931 C PHE A 131 0.439 14.624 -1.036 1.00 54.13 C ATOM 1932 O PHE A 131 0.975 13.606 -1.470 1.00 44.31 O ATOM 1933 CB PHE A 131 -1.933 14.956 -0.308 1.00 4.25 C ATOM 1934 CG PHE A 131 -2.696 16.229 -0.083 1.00 52.12 C ATOM 1935 CD1 PHE A 131 -2.031 17.440 0.029 1.00 62.24 C ATOM 1936 CD2 PHE A 131 -4.078 16.216 0.016 1.00 65.32 C ATOM 1937 CE1 PHE A 131 -2.732 18.613 0.236 1.00 73.13 C ATOM 1938 CE2 PHE A 131 -4.784 17.386 0.223 1.00 13.44 C ATOM 1939 CZ PHE A 131 -4.110 18.587 0.332 1.00 33.13 C ATOM 0 H PHE A 131 -0.712 13.534 -2.941 1.00 65.25 H new ATOM 0 HA PHE A 131 -0.925 16.050 -1.861 1.00 72.53 H new ATOM 0 HB2 PHE A 131 -2.640 14.143 -0.476 1.00 4.25 H new ATOM 0 HB3 PHE A 131 -1.375 14.711 0.596 1.00 4.25 H new ATOM 0 HD1 PHE A 131 -0.954 17.467 -0.046 1.00 62.24 H new ATOM 0 HD2 PHE A 131 -4.610 15.280 -0.070 1.00 65.32 H new ATOM 0 HE1 PHE A 131 -2.202 19.550 0.323 1.00 73.13 H new ATOM 0 HE2 PHE A 131 -5.861 17.361 0.299 1.00 13.44 H new ATOM 0 HZ PHE A 131 -4.659 19.503 0.492 1.00 33.13 H new ATOM 1948 N MET A 132 1.025 15.433 -0.159 1.00 41.43 N ATOM 1949 CA MET A 132 2.362 15.163 0.354 1.00 4.31 C ATOM 1950 C MET A 132 2.354 13.950 1.280 1.00 1.32 C ATOM 1951 O MET A 132 1.352 13.664 1.934 1.00 32.35 O ATOM 1952 CB MET A 132 2.902 16.384 1.099 1.00 32.15 C ATOM 1953 CG MET A 132 2.028 16.822 2.263 1.00 30.51 C ATOM 1954 SD MET A 132 2.001 18.612 2.477 1.00 41.13 S ATOM 1955 CE MET A 132 1.167 19.120 0.975 1.00 2.41 C ATOM 0 H MET A 132 0.594 16.281 0.211 1.00 41.43 H new ATOM 0 HA MET A 132 3.012 14.947 -0.494 1.00 4.31 H new ATOM 0 HB2 MET A 132 3.902 16.160 1.471 1.00 32.15 H new ATOM 0 HB3 MET A 132 3.001 17.213 0.398 1.00 32.15 H new ATOM 0 HG2 MET A 132 1.011 16.464 2.103 1.00 30.51 H new ATOM 0 HG3 MET A 132 2.390 16.356 3.179 1.00 30.51 H new ATOM 0 HE1 MET A 132 1.759 19.884 0.471 1.00 2.41 H new ATOM 0 HE2 MET A 132 1.048 18.260 0.316 1.00 2.41 H new ATOM 0 HE3 MET A 132 0.186 19.526 1.223 1.00 2.41 H new ATOM 1963 N ALA A 133 3.478 13.241 1.328 1.00 43.01 N ATOM 1964 CA ALA A 133 3.600 12.060 2.174 1.00 35.22 C ATOM 1965 C ALA A 133 5.019 11.916 2.713 1.00 1.41 C ATOM 1966 O ALA A 133 5.988 12.275 2.042 1.00 72.54 O ATOM 1967 CB ALA A 133 3.197 10.813 1.401 1.00 31.42 C ATOM 0 H ALA A 133 4.316 13.464 0.791 1.00 43.01 H new ATOM 0 HA ALA A 133 2.927 12.180 3.023 1.00 35.22 H new ATOM 0 HB1 ALA A 133 3.293 9.939 2.045 1.00 31.42 H new ATOM 0 HB2 ALA A 133 2.163 10.908 1.070 1.00 31.42 H new ATOM 0 HB3 ALA A 133 3.846 10.697 0.533 1.00 31.42 H new ATOM 1973 N ARG A 134 5.134 11.389 3.928 1.00 1.25 N ATOM 1974 CA ARG A 134 6.436 11.200 4.557 1.00 4.02 C ATOM 1975 C ARG A 134 6.657 9.733 4.918 1.00 74.10 C ATOM 1976 O ARG A 134 7.786 9.243 4.902 1.00 45.13 O ATOM 1977 CB ARG A 134 6.551 12.067 5.811 1.00 15.43 C ATOM 1978 CG ARG A 134 7.767 11.745 6.666 1.00 71.33 C ATOM 1979 CD ARG A 134 7.367 11.076 7.972 1.00 34.33 C ATOM 1980 NE ARG A 134 8.204 9.918 8.272 1.00 62.31 N ATOM 1981 CZ ARG A 134 8.065 9.174 9.363 1.00 25.42 C ATOM 1982 NH1 ARG A 134 7.127 9.466 10.253 1.00 31.44 N ATOM 1983 NH2 ARG A 134 8.865 8.134 9.565 1.00 72.42 N ATOM 0 H ARG A 134 4.343 11.086 4.496 1.00 1.25 H new ATOM 0 HA ARG A 134 7.203 11.501 3.844 1.00 4.02 H new ATOM 0 HB2 ARG A 134 6.593 13.115 5.515 1.00 15.43 H new ATOM 0 HB3 ARG A 134 5.651 11.942 6.413 1.00 15.43 H new ATOM 0 HG2 ARG A 134 8.440 11.091 6.112 1.00 71.33 H new ATOM 0 HG3 ARG A 134 8.317 12.662 6.879 1.00 71.33 H new ATOM 0 HD2 ARG A 134 7.440 11.797 8.786 1.00 34.33 H new ATOM 0 HD3 ARG A 134 6.324 10.765 7.915 1.00 34.33 H new ATOM 0 HE ARG A 134 8.936 9.667 7.607 1.00 62.31 H new ATOM 0 HH11 ARG A 134 6.510 10.264 10.101 1.00 31.44 H new ATOM 0 HH12 ARG A 134 7.022 8.893 11.090 1.00 31.44 H new ATOM 0 HH21 ARG A 134 9.587 7.906 8.882 1.00 72.42 H new ATOM 0 HH22 ARG A 134 8.757 7.563 10.403 1.00 72.42 H new ATOM 1994 N TYR A 135 5.572 9.040 5.244 1.00 42.35 N ATOM 1995 CA TYR A 135 5.646 7.631 5.611 1.00 12.30 C ATOM 1996 C TYR A 135 4.313 6.931 5.364 1.00 11.32 C ATOM 1997 O TYR A 135 3.257 7.424 5.762 1.00 3.22 O ATOM 1998 CB TYR A 135 6.047 7.486 7.081 1.00 62.54 C ATOM 1999 CG TYR A 135 5.840 6.093 7.629 1.00 32.53 C ATOM 2000 CD1 TYR A 135 4.623 5.714 8.182 1.00 53.34 C ATOM 2001 CD2 TYR A 135 6.864 5.154 7.596 1.00 64.23 C ATOM 2002 CE1 TYR A 135 4.431 4.443 8.686 1.00 2.22 C ATOM 2003 CE2 TYR A 135 6.681 3.879 8.096 1.00 44.22 C ATOM 2004 CZ TYR A 135 5.463 3.528 8.640 1.00 70.01 C ATOM 2005 OH TYR A 135 5.276 2.260 9.139 1.00 63.35 O ATOM 0 H TYR A 135 4.630 9.431 5.262 1.00 42.35 H new ATOM 0 HA TYR A 135 6.404 7.159 4.986 1.00 12.30 H new ATOM 0 HB2 TYR A 135 7.097 7.759 7.191 1.00 62.54 H new ATOM 0 HB3 TYR A 135 5.470 8.192 7.678 1.00 62.54 H new ATOM 0 HD1 TYR A 135 3.812 6.427 8.218 1.00 53.34 H new ATOM 0 HD2 TYR A 135 7.819 5.426 7.172 1.00 64.23 H new ATOM 0 HE1 TYR A 135 3.479 4.166 9.114 1.00 2.22 H new ATOM 0 HE2 TYR A 135 7.487 3.161 8.061 1.00 44.22 H new ATOM 0 HH TYR A 135 4.363 2.176 9.485 1.00 63.35 H new ATOM 2014 N VAL A 136 4.370 5.778 4.704 1.00 53.22 N ATOM 2015 CA VAL A 136 3.169 5.009 4.405 1.00 51.44 C ATOM 2016 C VAL A 136 3.221 3.632 5.057 1.00 74.02 C ATOM 2017 O VAL A 136 4.299 3.086 5.292 1.00 42.32 O ATOM 2018 CB VAL A 136 2.976 4.839 2.885 1.00 34.53 C ATOM 2019 CG1 VAL A 136 3.157 6.169 2.172 1.00 52.42 C ATOM 2020 CG2 VAL A 136 3.940 3.796 2.341 1.00 11.34 C ATOM 0 H VAL A 136 5.235 5.357 4.367 1.00 53.22 H new ATOM 0 HA VAL A 136 2.326 5.568 4.811 1.00 51.44 H new ATOM 0 HB VAL A 136 1.959 4.492 2.701 1.00 34.53 H new ATOM 0 HG11 VAL A 136 3.017 6.029 1.100 1.00 52.42 H new ATOM 0 HG12 VAL A 136 2.423 6.884 2.544 1.00 52.42 H new ATOM 0 HG13 VAL A 136 4.161 6.549 2.360 1.00 52.42 H new ATOM 0 HG21 VAL A 136 3.791 3.688 1.267 1.00 11.34 H new ATOM 0 HG22 VAL A 136 4.965 4.112 2.535 1.00 11.34 H new ATOM 0 HG23 VAL A 136 3.756 2.840 2.831 1.00 11.34 H new ATOM 2030 N ARG A 137 2.050 3.076 5.347 1.00 43.32 N ATOM 2031 CA ARG A 137 1.962 1.762 5.972 1.00 75.31 C ATOM 2032 C ARG A 137 1.076 0.828 5.155 1.00 4.41 C ATOM 2033 O ARG A 137 0.035 1.236 4.637 1.00 11.25 O ATOM 2034 CB ARG A 137 1.412 1.888 7.395 1.00 4.21 C ATOM 2035 CG ARG A 137 1.142 0.550 8.063 1.00 20.44 C ATOM 2036 CD ARG A 137 0.937 0.707 9.562 1.00 62.35 C ATOM 2037 NE ARG A 137 1.182 -0.539 10.282 1.00 31.11 N ATOM 2038 CZ ARG A 137 2.390 -1.067 10.446 1.00 21.23 C ATOM 2039 NH1 ARG A 137 3.457 -0.459 9.944 1.00 24.40 N ATOM 2040 NH2 ARG A 137 2.534 -2.205 11.114 1.00 44.15 N ATOM 0 H ARG A 137 1.149 3.515 5.159 1.00 43.32 H new ATOM 0 HA ARG A 137 2.966 1.339 6.012 1.00 75.31 H new ATOM 0 HB2 ARG A 137 2.122 2.451 8.001 1.00 4.21 H new ATOM 0 HB3 ARG A 137 0.487 2.465 7.369 1.00 4.21 H new ATOM 0 HG2 ARG A 137 0.257 0.093 7.620 1.00 20.44 H new ATOM 0 HG3 ARG A 137 1.977 -0.126 7.878 1.00 20.44 H new ATOM 0 HD2 ARG A 137 1.605 1.481 9.940 1.00 62.35 H new ATOM 0 HD3 ARG A 137 -0.082 1.043 9.755 1.00 62.35 H new ATOM 0 HE ARG A 137 0.382 -1.031 10.681 1.00 31.11 H new ATOM 0 HH11 ARG A 137 3.351 0.416 9.431 1.00 24.40 H new ATOM 0 HH12 ARG A 137 4.383 -0.867 10.071 1.00 24.40 H new ATOM 0 HH21 ARG A 137 1.716 -2.675 11.502 1.00 44.15 H new ATOM 0 HH22 ARG A 137 3.462 -2.609 11.239 1.00 44.15 H new ATOM 2051 N VAL A 138 1.495 -0.428 5.040 1.00 33.42 N ATOM 2052 CA VAL A 138 0.740 -1.421 4.285 1.00 13.44 C ATOM 2053 C VAL A 138 0.561 -2.704 5.089 1.00 15.11 C ATOM 2054 O VAL A 138 1.435 -3.088 5.868 1.00 34.31 O ATOM 2055 CB VAL A 138 1.433 -1.757 2.951 1.00 62.13 C ATOM 2056 CG1 VAL A 138 0.562 -2.684 2.116 1.00 3.04 C ATOM 2057 CG2 VAL A 138 1.757 -0.484 2.184 1.00 32.30 C ATOM 0 H VAL A 138 2.354 -0.782 5.460 1.00 33.42 H new ATOM 0 HA VAL A 138 -0.238 -0.986 4.079 1.00 13.44 H new ATOM 0 HB VAL A 138 2.369 -2.272 3.167 1.00 62.13 H new ATOM 0 HG11 VAL A 138 1.068 -2.911 1.177 1.00 3.04 H new ATOM 0 HG12 VAL A 138 0.384 -3.609 2.665 1.00 3.04 H new ATOM 0 HG13 VAL A 138 -0.391 -2.198 1.907 1.00 3.04 H new ATOM 0 HG21 VAL A 138 2.246 -0.740 1.244 1.00 32.30 H new ATOM 0 HG22 VAL A 138 0.836 0.061 1.977 1.00 32.30 H new ATOM 0 HG23 VAL A 138 2.422 0.141 2.780 1.00 32.30 H new ATOM 2067 N LEU A 139 -0.574 -3.364 4.895 1.00 75.43 N ATOM 2068 CA LEU A 139 -0.869 -4.605 5.602 1.00 71.42 C ATOM 2069 C LEU A 139 -1.809 -5.487 4.786 1.00 72.43 C ATOM 2070 O LEU A 139 -3.020 -5.267 4.736 1.00 10.42 O ATOM 2071 CB LEU A 139 -1.491 -4.303 6.967 1.00 41.12 C ATOM 2072 CG LEU A 139 -2.645 -3.300 6.972 1.00 41.44 C ATOM 2073 CD1 LEU A 139 -3.598 -3.587 8.120 1.00 21.22 C ATOM 2074 CD2 LEU A 139 -2.114 -1.877 7.060 1.00 54.21 C ATOM 0 H LEU A 139 -1.306 -3.061 4.253 1.00 75.43 H new ATOM 0 HA LEU A 139 0.068 -5.142 5.748 1.00 71.42 H new ATOM 0 HB2 LEU A 139 -1.848 -5.239 7.396 1.00 41.12 H new ATOM 0 HB3 LEU A 139 -0.708 -3.928 7.626 1.00 41.12 H new ATOM 0 HG LEU A 139 -3.195 -3.404 6.037 1.00 41.44 H new ATOM 0 HD11 LEU A 139 -4.412 -2.863 8.107 1.00 21.22 H new ATOM 0 HD12 LEU A 139 -4.005 -4.592 8.012 1.00 21.22 H new ATOM 0 HD13 LEU A 139 -3.061 -3.512 9.066 1.00 21.22 H new ATOM 0 HD21 LEU A 139 -2.949 -1.177 7.062 1.00 54.21 H new ATOM 0 HD22 LEU A 139 -1.539 -1.759 7.979 1.00 54.21 H new ATOM 0 HD23 LEU A 139 -1.473 -1.674 6.202 1.00 54.21 H new ATOM 2085 N PRO A 140 -1.241 -6.511 4.132 1.00 2.31 N ATOM 2086 CA PRO A 140 -2.010 -7.449 3.308 1.00 74.31 C ATOM 2087 C PRO A 140 -2.909 -8.353 4.145 1.00 33.53 C ATOM 2088 O PRO A 140 -2.526 -8.794 5.230 1.00 1.42 O ATOM 2089 CB PRO A 140 -0.929 -8.272 2.604 1.00 52.22 C ATOM 2090 CG PRO A 140 0.255 -8.192 3.505 1.00 45.13 C ATOM 2091 CD PRO A 140 0.196 -6.833 4.146 1.00 63.10 C ATOM 0 HA PRO A 140 -2.684 -6.933 2.624 1.00 74.31 H new ATOM 0 HB2 PRO A 140 -1.248 -9.304 2.460 1.00 52.22 H new ATOM 0 HB3 PRO A 140 -0.704 -7.868 1.617 1.00 52.22 H new ATOM 0 HG2 PRO A 140 0.227 -8.980 4.258 1.00 45.13 H new ATOM 0 HG3 PRO A 140 1.181 -8.319 2.945 1.00 45.13 H new ATOM 0 HD2 PRO A 140 0.594 -6.850 5.161 1.00 63.10 H new ATOM 0 HD3 PRO A 140 0.778 -6.100 3.587 1.00 63.10 H new ATOM 2096 N VAL A 141 -4.105 -8.627 3.635 1.00 60.15 N ATOM 2097 CA VAL A 141 -5.057 -9.481 4.335 1.00 52.15 C ATOM 2098 C VAL A 141 -5.211 -10.825 3.633 1.00 44.34 C ATOM 2099 O VAL A 141 -5.165 -11.878 4.267 1.00 45.12 O ATOM 2100 CB VAL A 141 -6.440 -8.809 4.444 1.00 4.14 C ATOM 2101 CG1 VAL A 141 -7.401 -9.689 5.228 1.00 5.53 C ATOM 2102 CG2 VAL A 141 -6.315 -7.437 5.086 1.00 54.21 C ATOM 0 H VAL A 141 -4.438 -8.270 2.739 1.00 60.15 H new ATOM 0 HA VAL A 141 -4.659 -9.642 5.337 1.00 52.15 H new ATOM 0 HB VAL A 141 -6.843 -8.679 3.439 1.00 4.14 H new ATOM 0 HG11 VAL A 141 -8.372 -9.198 5.295 1.00 5.53 H new ATOM 0 HG12 VAL A 141 -7.513 -10.647 4.721 1.00 5.53 H new ATOM 0 HG13 VAL A 141 -7.008 -9.853 6.231 1.00 5.53 H new ATOM 0 HG21 VAL A 141 -7.301 -6.977 5.155 1.00 54.21 H new ATOM 0 HG22 VAL A 141 -5.892 -7.540 6.085 1.00 54.21 H new ATOM 0 HG23 VAL A 141 -5.663 -6.809 4.479 1.00 54.21 H new ATOM 2112 N SER A 142 -5.393 -10.780 2.316 1.00 4.22 N ATOM 2113 CA SER A 142 -5.556 -11.995 1.525 1.00 74.10 C ATOM 2114 C SER A 142 -4.478 -12.093 0.450 1.00 33.53 C ATOM 2115 O SER A 142 -4.203 -11.126 -0.258 1.00 14.32 O ATOM 2116 CB SER A 142 -6.941 -12.024 0.877 1.00 61.04 C ATOM 2117 OG SER A 142 -7.568 -13.281 1.067 1.00 34.32 O ATOM 0 H SER A 142 -5.431 -9.916 1.775 1.00 4.22 H new ATOM 0 HA SER A 142 -5.456 -12.850 2.194 1.00 74.10 H new ATOM 0 HB2 SER A 142 -7.562 -11.236 1.304 1.00 61.04 H new ATOM 0 HB3 SER A 142 -6.851 -11.817 -0.189 1.00 61.04 H new ATOM 0 HG SER A 142 -8.452 -13.273 0.645 1.00 34.32 H new ATOM 2122 N TRP A 143 -3.869 -13.269 0.338 1.00 63.45 N ATOM 2123 CA TRP A 143 -2.821 -13.495 -0.650 1.00 32.31 C ATOM 2124 C TRP A 143 -3.059 -14.796 -1.409 1.00 11.12 C ATOM 2125 O TRP A 143 -3.944 -15.577 -1.058 1.00 10.21 O ATOM 2126 CB TRP A 143 -1.451 -13.530 0.030 1.00 50.04 C ATOM 2127 CG TRP A 143 -1.310 -14.641 1.026 1.00 0.33 C ATOM 2128 CD1 TRP A 143 -0.584 -15.788 0.876 1.00 43.33 C ATOM 2129 CD2 TRP A 143 -1.911 -14.711 2.323 1.00 70.13 C ATOM 2130 NE1 TRP A 143 -0.699 -16.567 2.002 1.00 1.44 N ATOM 2131 CE2 TRP A 143 -1.508 -15.928 2.905 1.00 13.44 C ATOM 2132 CE3 TRP A 143 -2.751 -13.862 3.050 1.00 23.24 C ATOM 2133 CZ2 TRP A 143 -1.915 -16.316 4.178 1.00 64.30 C ATOM 2134 CZ3 TRP A 143 -3.156 -14.250 4.314 1.00 32.10 C ATOM 2135 CH2 TRP A 143 -2.737 -15.466 4.868 1.00 25.50 C ATOM 0 H TRP A 143 -4.083 -14.080 0.919 1.00 63.45 H new ATOM 0 HA TRP A 143 -2.845 -12.671 -1.363 1.00 32.31 H new ATOM 0 HB2 TRP A 143 -0.678 -13.634 -0.731 1.00 50.04 H new ATOM 0 HB3 TRP A 143 -1.278 -12.578 0.532 1.00 50.04 H new ATOM 0 HD1 TRP A 143 -0.005 -16.045 0.001 1.00 43.33 H new ATOM 0 HE1 TRP A 143 -0.254 -17.474 2.143 1.00 1.44 H new ATOM 0 HE3 TRP A 143 -3.077 -12.921 2.632 1.00 23.24 H new ATOM 0 HZ2 TRP A 143 -1.594 -17.254 4.606 1.00 64.30 H new ATOM 0 HZ3 TRP A 143 -3.807 -13.604 4.884 1.00 32.10 H new ATOM 0 HH2 TRP A 143 -3.069 -15.739 5.859 1.00 25.50 H new ATOM 2145 N HIS A 144 -2.264 -15.022 -2.450 1.00 22.52 N ATOM 2146 CA HIS A 144 -2.387 -16.230 -3.258 1.00 61.45 C ATOM 2147 C HIS A 144 -1.018 -16.845 -3.531 1.00 73.30 C ATOM 2148 O HIS A 144 -0.155 -16.214 -4.139 1.00 44.54 O ATOM 2149 CB HIS A 144 -3.092 -15.916 -4.578 1.00 32.44 C ATOM 2150 CG HIS A 144 -4.400 -16.627 -4.744 1.00 10.43 C ATOM 2151 ND1 HIS A 144 -5.605 -15.968 -4.862 1.00 55.12 N ATOM 2152 CD2 HIS A 144 -4.686 -17.948 -4.813 1.00 52.04 C ATOM 2153 CE1 HIS A 144 -6.576 -16.852 -4.995 1.00 74.34 C ATOM 2154 NE2 HIS A 144 -6.046 -18.061 -4.969 1.00 2.15 N ATOM 0 H HIS A 144 -1.528 -14.385 -2.754 1.00 22.52 H new ATOM 0 HA HIS A 144 -2.983 -16.952 -2.699 1.00 61.45 H new ATOM 0 HB2 HIS A 144 -3.262 -14.841 -4.643 1.00 32.44 H new ATOM 0 HB3 HIS A 144 -2.434 -16.185 -5.404 1.00 32.44 H new ATOM 0 HD2 HIS A 144 -3.978 -18.761 -4.756 1.00 52.04 H new ATOM 0 HE1 HIS A 144 -7.626 -16.625 -5.106 1.00 74.34 H new ATOM 0 HE2 HIS A 144 -6.563 -18.937 -5.051 1.00 2.15 H new ATOM 2161 N ASN A 145 -0.827 -18.078 -3.075 1.00 34.05 N ATOM 2162 CA ASN A 145 0.438 -18.777 -3.269 1.00 12.21 C ATOM 2163 C ASN A 145 1.507 -18.243 -2.319 1.00 42.34 C ATOM 2164 O ASN A 145 1.930 -18.934 -1.394 1.00 4.24 O ATOM 2165 CB ASN A 145 0.909 -18.631 -4.718 1.00 72.15 C ATOM 2166 CG ASN A 145 -0.238 -18.700 -5.708 1.00 21.32 C ATOM 2167 OD1 ASN A 145 -0.384 -17.832 -6.568 1.00 13.14 O ATOM 2168 ND2 ASN A 145 -1.059 -19.737 -5.590 1.00 22.32 N ATOM 0 H ASN A 145 -1.532 -18.614 -2.569 1.00 34.05 H new ATOM 0 HA ASN A 145 0.278 -19.833 -3.051 1.00 12.21 H new ATOM 0 HB2 ASN A 145 1.429 -17.680 -4.834 1.00 72.15 H new ATOM 0 HB3 ASN A 145 1.629 -19.418 -4.944 1.00 72.15 H new ATOM 0 HD21 ASN A 145 -1.849 -19.837 -6.228 1.00 22.32 H new ATOM 0 HD22 ASN A 145 -0.900 -20.433 -4.862 1.00 22.32 H new ATOM 2174 N ARG A 146 1.936 -17.007 -2.557 1.00 34.42 N ATOM 2175 CA ARG A 146 2.955 -16.379 -1.723 1.00 25.42 C ATOM 2176 C ARG A 146 2.932 -14.863 -1.886 1.00 31.42 C ATOM 2177 O ARG A 146 2.602 -14.349 -2.955 1.00 14.43 O ATOM 2178 CB ARG A 146 4.341 -16.921 -2.080 1.00 71.51 C ATOM 2179 CG ARG A 146 5.464 -16.305 -1.262 1.00 53.51 C ATOM 2180 CD ARG A 146 5.270 -16.551 0.226 1.00 15.21 C ATOM 2181 NE ARG A 146 6.375 -17.311 0.803 1.00 24.40 N ATOM 2182 CZ ARG A 146 6.453 -18.637 0.765 1.00 3.22 C ATOM 2183 NH1 ARG A 146 5.497 -19.345 0.178 1.00 54.31 N ATOM 2184 NH2 ARG A 146 7.490 -19.258 1.312 1.00 41.10 N ATOM 0 H ARG A 146 1.594 -16.422 -3.319 1.00 34.42 H new ATOM 0 HA ARG A 146 2.736 -16.618 -0.682 1.00 25.42 H new ATOM 0 HB2 ARG A 146 4.348 -18.001 -1.935 1.00 71.51 H new ATOM 0 HB3 ARG A 146 4.532 -16.740 -3.138 1.00 71.51 H new ATOM 0 HG2 ARG A 146 6.419 -16.724 -1.580 1.00 53.51 H new ATOM 0 HG3 ARG A 146 5.508 -15.233 -1.452 1.00 53.51 H new ATOM 0 HD2 ARG A 146 5.178 -15.596 0.743 1.00 15.21 H new ATOM 0 HD3 ARG A 146 4.336 -17.091 0.386 1.00 15.21 H new ATOM 0 HE ARG A 146 7.128 -16.796 1.260 1.00 24.40 H new ATOM 0 HH11 ARG A 146 4.699 -18.872 -0.246 1.00 54.31 H new ATOM 0 HH12 ARG A 146 5.560 -20.363 0.151 1.00 54.31 H new ATOM 0 HH21 ARG A 146 8.229 -18.718 1.762 1.00 41.10 H new ATOM 0 HH22 ARG A 146 7.549 -20.276 1.282 1.00 41.10 H new ATOM 2195 N ILE A 147 3.284 -14.153 -0.819 1.00 61.44 N ATOM 2196 CA ILE A 147 3.303 -12.696 -0.845 1.00 31.42 C ATOM 2197 C ILE A 147 4.393 -12.178 -1.777 1.00 42.14 C ATOM 2198 O ILE A 147 5.543 -12.006 -1.372 1.00 43.03 O ATOM 2199 CB ILE A 147 3.527 -12.112 0.563 1.00 52.31 C ATOM 2200 CG1 ILE A 147 2.996 -13.072 1.628 1.00 22.32 C ATOM 2201 CG2 ILE A 147 2.854 -10.752 0.684 1.00 33.35 C ATOM 2202 CD1 ILE A 147 1.523 -13.383 1.482 1.00 3.15 C ATOM 0 H ILE A 147 3.560 -14.563 0.073 1.00 61.44 H new ATOM 0 HA ILE A 147 2.329 -12.373 -1.213 1.00 31.42 H new ATOM 0 HB ILE A 147 4.598 -11.982 0.721 1.00 52.31 H new ATOM 0 HG12 ILE A 147 3.562 -14.003 1.581 1.00 22.32 H new ATOM 0 HG13 ILE A 147 3.172 -12.641 2.614 1.00 22.32 H new ATOM 0 HG21 ILE A 147 3.020 -10.351 1.684 1.00 33.35 H new ATOM 0 HG22 ILE A 147 3.276 -10.070 -0.055 1.00 33.35 H new ATOM 0 HG23 ILE A 147 1.783 -10.859 0.510 1.00 33.35 H new ATOM 0 HD11 ILE A 147 1.216 -14.070 2.271 1.00 3.15 H new ATOM 0 HD12 ILE A 147 0.947 -12.461 1.559 1.00 3.15 H new ATOM 0 HD13 ILE A 147 1.343 -13.843 0.510 1.00 3.15 H new ATOM 2213 N THR A 148 4.023 -11.927 -3.029 1.00 61.40 N ATOM 2214 CA THR A 148 4.967 -11.427 -4.021 1.00 20.45 C ATOM 2215 C THR A 148 4.340 -10.329 -4.872 1.00 12.13 C ATOM 2216 O THR A 148 3.662 -10.607 -5.860 1.00 45.30 O ATOM 2217 CB THR A 148 5.463 -12.557 -4.943 1.00 13.12 C ATOM 2218 OG1 THR A 148 5.427 -13.808 -4.248 1.00 40.42 O ATOM 2219 CG2 THR A 148 6.879 -12.279 -5.425 1.00 20.53 C ATOM 0 H THR A 148 3.075 -12.062 -3.380 1.00 61.40 H new ATOM 0 HA THR A 148 5.815 -11.017 -3.473 1.00 20.45 H new ATOM 0 HB THR A 148 4.804 -12.605 -5.810 1.00 13.12 H new ATOM 0 HG1 THR A 148 6.327 -14.196 -4.225 1.00 40.42 H new ATOM 0 HG21 THR A 148 7.208 -13.090 -6.074 1.00 20.53 H new ATOM 0 HG22 THR A 148 6.897 -11.340 -5.979 1.00 20.53 H new ATOM 0 HG23 THR A 148 7.548 -12.207 -4.567 1.00 20.53 H new ATOM 2227 N LEU A 149 4.573 -9.080 -4.482 1.00 61.12 N ATOM 2228 CA LEU A 149 4.032 -7.938 -5.211 1.00 62.44 C ATOM 2229 C LEU A 149 4.704 -6.642 -4.770 1.00 34.23 C ATOM 2230 O LEU A 149 5.662 -6.661 -3.997 1.00 12.52 O ATOM 2231 CB LEU A 149 2.520 -7.841 -4.996 1.00 51.12 C ATOM 2232 CG LEU A 149 2.069 -7.161 -3.703 1.00 41.51 C ATOM 2233 CD1 LEU A 149 0.551 -7.081 -3.644 1.00 2.01 C ATOM 2234 CD2 LEU A 149 2.613 -7.904 -2.492 1.00 12.24 C ATOM 0 H LEU A 149 5.132 -8.833 -3.666 1.00 61.12 H new ATOM 0 HA LEU A 149 4.234 -8.087 -6.272 1.00 62.44 H new ATOM 0 HB2 LEU A 149 2.087 -7.300 -5.838 1.00 51.12 H new ATOM 0 HB3 LEU A 149 2.105 -8.849 -5.017 1.00 51.12 H new ATOM 0 HG LEU A 149 2.467 -6.146 -3.690 1.00 41.51 H new ATOM 0 HD11 LEU A 149 0.248 -6.594 -2.717 1.00 2.01 H new ATOM 0 HD12 LEU A 149 0.184 -6.505 -4.493 1.00 2.01 H new ATOM 0 HD13 LEU A 149 0.132 -8.087 -3.679 1.00 2.01 H new ATOM 0 HD21 LEU A 149 2.282 -7.406 -1.581 1.00 12.24 H new ATOM 0 HD22 LEU A 149 2.245 -8.930 -2.499 1.00 12.24 H new ATOM 0 HD23 LEU A 149 3.702 -7.909 -2.527 1.00 12.24 H new ATOM 2245 N ARG A 150 4.195 -5.519 -5.265 1.00 53.13 N ATOM 2246 CA ARG A 150 4.746 -4.213 -4.921 1.00 22.20 C ATOM 2247 C ARG A 150 3.797 -3.095 -5.344 1.00 12.32 C ATOM 2248 O ARG A 150 3.155 -3.174 -6.392 1.00 55.31 O ATOM 2249 CB ARG A 150 6.109 -4.020 -5.587 1.00 10.05 C ATOM 2250 CG ARG A 150 7.263 -3.945 -4.601 1.00 24.22 C ATOM 2251 CD ARG A 150 7.407 -2.549 -4.016 1.00 22.41 C ATOM 2252 NE ARG A 150 8.214 -2.547 -2.798 1.00 11.50 N ATOM 2253 CZ ARG A 150 7.815 -3.084 -1.651 1.00 31.14 C ATOM 2254 NH1 ARG A 150 6.627 -3.665 -1.564 1.00 40.02 N ATOM 2255 NH2 ARG A 150 8.607 -3.042 -0.586 1.00 44.14 N ATOM 0 H ARG A 150 3.402 -5.487 -5.906 1.00 53.13 H new ATOM 0 HA ARG A 150 4.870 -4.171 -3.839 1.00 22.20 H new ATOM 0 HB2 ARG A 150 6.286 -4.844 -6.279 1.00 10.05 H new ATOM 0 HB3 ARG A 150 6.088 -3.105 -6.179 1.00 10.05 H new ATOM 0 HG2 ARG A 150 7.103 -4.663 -3.797 1.00 24.22 H new ATOM 0 HG3 ARG A 150 8.189 -4.228 -5.101 1.00 24.22 H new ATOM 0 HD2 ARG A 150 7.865 -1.891 -4.755 1.00 22.41 H new ATOM 0 HD3 ARG A 150 6.419 -2.144 -3.797 1.00 22.41 H new ATOM 0 HE ARG A 150 9.135 -2.109 -2.831 1.00 11.50 H new ATOM 0 HH11 ARG A 150 6.016 -3.701 -2.380 1.00 40.02 H new ATOM 0 HH12 ARG A 150 6.324 -4.076 -0.681 1.00 40.02 H new ATOM 0 HH21 ARG A 150 9.523 -2.597 -0.649 1.00 44.14 H new ATOM 0 HH22 ARG A 150 8.300 -3.455 0.295 1.00 44.14 H new ATOM 2266 N LEU A 151 3.715 -2.055 -4.522 1.00 23.30 N ATOM 2267 CA LEU A 151 2.845 -0.920 -4.810 1.00 71.10 C ATOM 2268 C LEU A 151 3.664 0.331 -5.111 1.00 52.41 C ATOM 2269 O LEU A 151 4.024 1.081 -4.204 1.00 4.25 O ATOM 2270 CB LEU A 151 1.908 -0.658 -3.630 1.00 71.10 C ATOM 2271 CG LEU A 151 2.508 -0.858 -2.238 1.00 23.25 C ATOM 2272 CD1 LEU A 151 1.967 0.179 -1.267 1.00 64.32 C ATOM 2273 CD2 LEU A 151 2.224 -2.266 -1.732 1.00 53.35 C ATOM 0 H LEU A 151 4.240 -1.974 -3.651 1.00 23.30 H new ATOM 0 HA LEU A 151 2.251 -1.164 -5.691 1.00 71.10 H new ATOM 0 HB2 LEU A 151 1.543 0.367 -3.702 1.00 71.10 H new ATOM 0 HB3 LEU A 151 1.042 -1.312 -3.728 1.00 71.10 H new ATOM 0 HG LEU A 151 3.588 -0.729 -2.308 1.00 23.25 H new ATOM 0 HD11 LEU A 151 2.406 0.019 -0.282 1.00 64.32 H new ATOM 0 HD12 LEU A 151 2.223 1.178 -1.621 1.00 64.32 H new ATOM 0 HD13 LEU A 151 0.883 0.085 -1.200 1.00 64.32 H new ATOM 0 HD21 LEU A 151 2.658 -2.391 -0.740 1.00 53.35 H new ATOM 0 HD22 LEU A 151 1.147 -2.423 -1.679 1.00 53.35 H new ATOM 0 HD23 LEU A 151 2.663 -2.993 -2.414 1.00 53.35 H new ATOM 2284 N GLU A 152 3.952 0.551 -6.390 1.00 65.55 N ATOM 2285 CA GLU A 152 4.727 1.711 -6.809 1.00 55.44 C ATOM 2286 C GLU A 152 3.937 3.000 -6.595 1.00 24.33 C ATOM 2287 O GLU A 152 2.718 3.032 -6.774 1.00 25.02 O ATOM 2288 CB GLU A 152 5.123 1.584 -8.282 1.00 4.15 C ATOM 2289 CG GLU A 152 6.612 1.768 -8.530 1.00 70.02 C ATOM 2290 CD GLU A 152 6.984 3.214 -8.791 1.00 54.25 C ATOM 2291 OE1 GLU A 152 6.852 4.040 -7.863 1.00 22.53 O ATOM 2292 OE2 GLU A 152 7.408 3.521 -9.925 1.00 71.10 O ATOM 0 H GLU A 152 3.660 -0.059 -7.153 1.00 65.55 H new ATOM 0 HA GLU A 152 5.629 1.751 -6.199 1.00 55.44 H new ATOM 0 HB2 GLU A 152 4.821 0.603 -8.648 1.00 4.15 H new ATOM 0 HB3 GLU A 152 4.572 2.324 -8.863 1.00 4.15 H new ATOM 0 HG2 GLU A 152 7.168 1.404 -7.666 1.00 70.02 H new ATOM 0 HG3 GLU A 152 6.913 1.159 -9.383 1.00 70.02 H new ATOM 2297 N LEU A 153 4.639 4.060 -6.211 1.00 33.42 N ATOM 2298 CA LEU A 153 4.004 5.352 -5.971 1.00 3.04 C ATOM 2299 C LEU A 153 4.471 6.385 -6.991 1.00 33.23 C ATOM 2300 O LEU A 153 5.654 6.451 -7.328 1.00 34.54 O ATOM 2301 CB LEU A 153 4.315 5.839 -4.555 1.00 75.25 C ATOM 2302 CG LEU A 153 5.782 6.145 -4.257 1.00 33.43 C ATOM 2303 CD1 LEU A 153 6.046 7.640 -4.348 1.00 23.31 C ATOM 2304 CD2 LEU A 153 6.169 5.616 -2.883 1.00 34.50 C ATOM 0 H LEU A 153 5.648 4.051 -6.059 1.00 33.42 H new ATOM 0 HA LEU A 153 2.926 5.226 -6.077 1.00 3.04 H new ATOM 0 HB2 LEU A 153 3.731 6.740 -4.366 1.00 75.25 H new ATOM 0 HB3 LEU A 153 3.972 5.083 -3.849 1.00 75.25 H new ATOM 0 HG LEU A 153 6.396 5.643 -5.004 1.00 33.43 H new ATOM 0 HD11 LEU A 153 7.096 7.838 -4.133 1.00 23.31 H new ATOM 0 HD12 LEU A 153 5.809 7.991 -5.353 1.00 23.31 H new ATOM 0 HD13 LEU A 153 5.422 8.164 -3.624 1.00 23.31 H new ATOM 0 HD21 LEU A 153 7.217 5.843 -2.688 1.00 34.50 H new ATOM 0 HD22 LEU A 153 5.548 6.089 -2.123 1.00 34.50 H new ATOM 0 HD23 LEU A 153 6.020 4.537 -2.853 1.00 34.50 H new ATOM 2315 N LEU A 154 3.535 7.193 -7.478 1.00 22.10 N ATOM 2316 CA LEU A 154 3.851 8.226 -8.458 1.00 30.40 C ATOM 2317 C LEU A 154 3.467 9.607 -7.936 1.00 64.12 C ATOM 2318 O LEU A 154 2.514 9.749 -7.170 1.00 15.45 O ATOM 2319 CB LEU A 154 3.124 7.946 -9.775 1.00 30.14 C ATOM 2320 CG LEU A 154 3.025 6.477 -10.187 1.00 64.30 C ATOM 2321 CD1 LEU A 154 1.971 6.296 -11.269 1.00 54.55 C ATOM 2322 CD2 LEU A 154 4.376 5.964 -10.665 1.00 71.13 C ATOM 0 H LEU A 154 2.552 7.152 -7.210 1.00 22.10 H new ATOM 0 HA LEU A 154 4.927 8.210 -8.633 1.00 30.40 H new ATOM 0 HB2 LEU A 154 2.115 8.351 -9.703 1.00 30.14 H new ATOM 0 HB3 LEU A 154 3.631 8.492 -10.570 1.00 30.14 H new ATOM 0 HG LEU A 154 2.726 5.895 -9.315 1.00 64.30 H new ATOM 0 HD11 LEU A 154 1.915 5.244 -11.550 1.00 54.55 H new ATOM 0 HD12 LEU A 154 1.002 6.623 -10.892 1.00 54.55 H new ATOM 0 HD13 LEU A 154 2.240 6.891 -12.142 1.00 54.55 H new ATOM 0 HD21 LEU A 154 4.286 4.917 -10.954 1.00 71.13 H new ATOM 0 HD22 LEU A 154 4.705 6.550 -11.523 1.00 71.13 H new ATOM 0 HD23 LEU A 154 5.106 6.057 -9.861 1.00 71.13 H new ATOM 2333 N GLY A 155 4.214 10.623 -8.358 1.00 23.12 N ATOM 2334 CA GLY A 155 3.935 11.979 -7.925 1.00 54.20 C ATOM 2335 C GLY A 155 3.893 12.960 -9.081 1.00 32.31 C ATOM 2336 O GLY A 155 4.078 12.577 -10.236 1.00 51.02 O ATOM 0 H GLY A 155 5.008 10.531 -8.992 1.00 23.12 H new ATOM 0 HA2 GLY A 155 2.980 12.000 -7.400 1.00 54.20 H new ATOM 0 HA3 GLY A 155 4.698 12.294 -7.213 1.00 54.20 H new ATOM 2340 N CYS A 156 3.650 14.229 -8.769 1.00 64.44 N ATOM 2341 CA CYS A 156 3.582 15.267 -9.790 1.00 73.43 C ATOM 2342 C CYS A 156 4.881 16.066 -9.839 1.00 2.25 C ATOM 2343 O CYS A 156 5.221 16.656 -10.865 1.00 54.45 O ATOM 2344 CB CYS A 156 2.404 16.204 -9.517 1.00 33.35 C ATOM 2345 SG CYS A 156 1.536 16.765 -11.016 1.00 52.31 S ATOM 0 H CYS A 156 3.497 14.563 -7.817 1.00 64.44 H new ATOM 0 HA CYS A 156 3.436 14.783 -10.756 1.00 73.43 H new ATOM 0 HB2 CYS A 156 1.692 15.695 -8.867 1.00 33.35 H new ATOM 0 HB3 CYS A 156 2.766 17.076 -8.972 1.00 33.35 H new ATOM 2349 N LEU A 157 5.604 16.079 -8.725 1.00 71.12 N ATOM 2350 CA LEU A 157 6.866 16.806 -8.640 1.00 31.14 C ATOM 2351 C LEU A 157 6.696 18.249 -9.101 1.00 63.04 C ATOM 2352 O LEU A 157 7.603 18.832 -9.695 1.00 34.41 O ATOM 2353 CB LEU A 157 7.934 16.110 -9.486 1.00 15.24 C ATOM 2354 CG LEU A 157 9.329 16.024 -8.867 1.00 35.24 C ATOM 2355 CD1 LEU A 157 9.918 17.414 -8.681 1.00 13.10 C ATOM 2356 CD2 LEU A 157 9.280 15.284 -7.539 1.00 24.41 C ATOM 0 H LEU A 157 5.338 15.594 -7.868 1.00 71.12 H new ATOM 0 HA LEU A 157 7.184 16.814 -7.597 1.00 31.14 H new ATOM 0 HB2 LEU A 157 7.593 15.098 -9.706 1.00 15.24 H new ATOM 0 HB3 LEU A 157 8.013 16.634 -10.439 1.00 15.24 H new ATOM 0 HG LEU A 157 9.972 15.466 -9.548 1.00 35.24 H new ATOM 0 HD11 LEU A 157 10.911 17.332 -8.239 1.00 13.10 H new ATOM 0 HD12 LEU A 157 9.991 17.911 -9.649 1.00 13.10 H new ATOM 0 HD13 LEU A 157 9.275 17.997 -8.022 1.00 13.10 H new ATOM 0 HD21 LEU A 157 10.282 15.233 -7.114 1.00 24.41 H new ATOM 0 HD22 LEU A 157 8.621 15.814 -6.851 1.00 24.41 H new ATOM 0 HD23 LEU A 157 8.902 14.274 -7.699 1.00 24.41 H new ATOM 2367 N GLU A 158 5.529 18.820 -8.822 1.00 55.34 N ATOM 2368 CA GLU A 158 5.242 20.198 -9.208 1.00 64.34 C ATOM 2369 C GLU A 158 5.279 21.122 -7.994 1.00 34.12 C ATOM 2370 O GLU A 158 5.662 22.287 -8.100 1.00 43.23 O ATOM 2371 CB GLU A 158 3.873 20.286 -9.887 1.00 63.42 C ATOM 2372 CG GLU A 158 3.806 21.330 -10.987 1.00 54.44 C ATOM 2373 CD GLU A 158 2.393 21.557 -11.490 1.00 13.52 C ATOM 2374 OE1 GLU A 158 1.624 22.261 -10.802 1.00 32.14 O ATOM 2375 OE2 GLU A 158 2.056 21.033 -12.573 1.00 34.35 O ATOM 0 H GLU A 158 4.768 18.352 -8.331 1.00 55.34 H new ATOM 0 HA GLU A 158 6.010 20.519 -9.911 1.00 64.34 H new ATOM 0 HB2 GLU A 158 3.622 19.312 -10.306 1.00 63.42 H new ATOM 0 HB3 GLU A 158 3.118 20.514 -9.135 1.00 63.42 H new ATOM 0 HG2 GLU A 158 4.211 22.271 -10.615 1.00 54.44 H new ATOM 0 HG3 GLU A 158 4.438 21.018 -11.818 1.00 54.44 H new