USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 707 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 61 GLN : amide:sc= -0.694 K(o=-2.1,f=-2.7) USER MOD Set 1.2: A 64 GLN : amide:sc= -1.42 K(o=-2.1,f=-0.79) USER MOD Set 2.1: A 21 SER OG : rot 65:sc= 0.197 USER MOD Set 2.2: A 60 GLN : amide:sc= -3.61! K(o=-3.4!,f=-0.73) USER MOD Set 3.1: A 27 TYR OH : rot 180:sc=-0.000562 USER MOD Set 3.2: A 41 MET CE :methyl -148:sc= -0.153 (180deg=-1.21) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= -0.0118 (180deg=-0.204) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0082) USER MOD Single : A 4 HIS : no HD1:sc= -0.657 X(o=-0.66,f=-0.99) USER MOD Single : A 5 HIS : no HD1:sc= -0.272 X(o=-0.27,f=-0.27) USER MOD Single : A 6 HIS : no HD1:sc= -0.935 K(o=-0.93,f=-2.3) USER MOD Single : A 7 HIS : no HE2:sc= -1.21 K(o=-1.2,f=-0.39) USER MOD Single : A 8 HIS : no HE2:sc= 0.324 K(o=0.32,f=-3.1!) USER MOD Single : A 9 MET CE :methyl 165:sc= -0.11 (180deg=-0.555) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 43:sc= 0.189 USER MOD Single : A 17 GLN : amide:sc= -0.075 K(o=-0.075,f=-0.58) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.105 X(o=-0.1,f=-0.1) USER MOD Single : A 33 ASN : amide:sc= -0.881 X(o=-0.88,f=-0.5) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 122:sc= 0.784 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 9:sc= -5.63! USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 71 THR OG1 : rot -56:sc= 0.112 USER MOD Single : A 73 MET CE :methyl 159:sc= -0.201 (180deg=-0.771) USER MOD Single : A 77 SER OG : rot 180:sc= 0.0075 USER MOD Single : A 81 HIS : no HE2:sc= -2.37! C(o=-2.4!,f=-2.8!) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 84 GLN : amide:sc= -0.0426 X(o=-0.043,f=-0.043) USER MOD Single : A 85 HIS : no HE2:sc= 0.816 K(o=0.82,f=-4.4!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.646 -0.252 4.006 1.00 73.22 N ATOM 2 CA MET A 1 11.774 -1.121 2.817 1.00 15.13 C ATOM 3 C MET A 1 10.748 -2.248 2.877 1.00 45.32 C ATOM 4 O MET A 1 10.949 -3.247 3.574 1.00 32.32 O ATOM 5 CB MET A 1 13.196 -1.697 2.720 1.00 22.50 C ATOM 6 CG MET A 1 14.286 -0.640 2.580 1.00 70.23 C ATOM 7 SD MET A 1 15.941 -1.354 2.472 1.00 24.24 S ATOM 8 CE MET A 1 16.946 0.129 2.395 1.00 64.32 C ATOM 0 H1 MET A 1 12.199 0.617 3.862 1.00 73.22 H new ATOM 0 H2 MET A 1 10.646 -0.006 4.150 1.00 73.22 H new ATOM 0 H3 MET A 1 12.003 -0.755 4.844 1.00 73.22 H new ATOM 0 HA MET A 1 11.585 -0.521 1.927 1.00 15.13 H new ATOM 0 HB2 MET A 1 13.396 -2.295 3.609 1.00 22.50 H new ATOM 0 HB3 MET A 1 13.246 -2.371 1.865 1.00 22.50 H new ATOM 0 HG2 MET A 1 14.094 -0.042 1.689 1.00 70.23 H new ATOM 0 HG3 MET A 1 14.242 0.037 3.433 1.00 70.23 H new ATOM 0 HE1 MET A 1 17.998 -0.148 2.325 1.00 64.32 H new ATOM 0 HE2 MET A 1 16.666 0.713 1.519 1.00 64.32 H new ATOM 0 HE3 MET A 1 16.786 0.724 3.294 1.00 64.32 H new ATOM 20 N ALA A 2 9.640 -2.085 2.155 1.00 54.21 N ATOM 21 CA ALA A 2 8.582 -3.091 2.128 1.00 14.23 C ATOM 22 C ALA A 2 8.948 -4.227 1.175 1.00 44.12 C ATOM 23 O ALA A 2 8.300 -4.431 0.145 1.00 53.24 O ATOM 24 CB ALA A 2 7.249 -2.460 1.738 1.00 73.44 C ATOM 0 H ALA A 2 9.453 -1.263 1.580 1.00 54.21 H new ATOM 0 HA ALA A 2 8.477 -3.508 3.129 1.00 14.23 H new ATOM 0 HB1 ALA A 2 6.474 -3.226 1.724 1.00 73.44 H new ATOM 0 HB2 ALA A 2 6.985 -1.690 2.463 1.00 73.44 H new ATOM 0 HB3 ALA A 2 7.334 -2.012 0.748 1.00 73.44 H new ATOM 30 N HIS A 3 10.010 -4.949 1.517 1.00 41.44 N ATOM 31 CA HIS A 3 10.477 -6.069 0.707 1.00 1.43 C ATOM 32 C HIS A 3 9.690 -7.328 1.068 1.00 4.31 C ATOM 33 O HIS A 3 9.944 -7.956 2.100 1.00 2.31 O ATOM 34 CB HIS A 3 11.982 -6.291 0.920 1.00 5.12 C ATOM 35 CG HIS A 3 12.597 -7.230 -0.074 1.00 63.14 C ATOM 36 ND1 HIS A 3 12.941 -8.530 0.224 1.00 24.54 N ATOM 37 CD2 HIS A 3 12.931 -7.045 -1.371 1.00 72.24 C ATOM 38 CE1 HIS A 3 13.456 -9.102 -0.848 1.00 45.21 C ATOM 39 NE2 HIS A 3 13.461 -8.224 -1.833 1.00 10.03 N ATOM 0 H HIS A 3 10.566 -4.777 2.354 1.00 41.44 H new ATOM 0 HA HIS A 3 10.313 -5.842 -0.346 1.00 1.43 H new ATOM 0 HB2 HIS A 3 12.494 -5.330 0.865 1.00 5.12 H new ATOM 0 HB3 HIS A 3 12.145 -6.681 1.925 1.00 5.12 H new ATOM 0 HD2 HIS A 3 12.804 -6.136 -1.940 1.00 72.24 H new ATOM 0 HE1 HIS A 3 13.814 -10.119 -0.909 1.00 45.21 H new ATOM 0 HE2 HIS A 3 13.802 -8.393 -2.779 1.00 10.03 H new ATOM 48 N HIS A 4 8.729 -7.682 0.218 1.00 40.34 N ATOM 49 CA HIS A 4 7.812 -8.786 0.494 1.00 51.01 C ATOM 50 C HIS A 4 7.953 -9.897 -0.546 1.00 53.23 C ATOM 51 O HIS A 4 7.521 -9.760 -1.690 1.00 0.34 O ATOM 52 CB HIS A 4 6.356 -8.282 0.542 1.00 50.20 C ATOM 53 CG HIS A 4 5.864 -7.668 -0.744 1.00 33.32 C ATOM 54 ND1 HIS A 4 5.077 -8.348 -1.653 1.00 30.31 N ATOM 55 CD2 HIS A 4 6.052 -6.434 -1.269 1.00 2.31 C ATOM 56 CE1 HIS A 4 4.806 -7.559 -2.675 1.00 13.25 C ATOM 57 NE2 HIS A 4 5.385 -6.393 -2.467 1.00 22.43 N ATOM 0 H HIS A 4 8.564 -7.216 -0.674 1.00 40.34 H new ATOM 0 HA HIS A 4 8.073 -9.199 1.468 1.00 51.01 H new ATOM 0 HB2 HIS A 4 5.705 -9.116 0.804 1.00 50.20 H new ATOM 0 HB3 HIS A 4 6.266 -7.544 1.340 1.00 50.20 H new ATOM 0 HD2 HIS A 4 6.622 -5.630 -0.826 1.00 2.31 H new ATOM 0 HE1 HIS A 4 4.211 -7.824 -3.536 1.00 13.25 H new ATOM 0 HE2 HIS A 4 5.344 -5.590 -3.095 1.00 22.43 H new ATOM 66 N HIS A 5 8.574 -10.999 -0.145 1.00 52.40 N ATOM 67 CA HIS A 5 8.669 -12.183 -0.997 1.00 51.23 C ATOM 68 C HIS A 5 7.720 -13.264 -0.474 1.00 25.42 C ATOM 69 O HIS A 5 7.668 -14.384 -0.992 1.00 52.12 O ATOM 70 CB HIS A 5 10.115 -12.702 -1.049 1.00 11.32 C ATOM 71 CG HIS A 5 10.310 -13.831 -2.017 1.00 24.41 C ATOM 72 ND1 HIS A 5 10.854 -15.047 -1.664 1.00 1.43 N ATOM 73 CD2 HIS A 5 10.027 -13.919 -3.340 1.00 64.02 C ATOM 74 CE1 HIS A 5 10.891 -15.833 -2.723 1.00 33.02 C ATOM 75 NE2 HIS A 5 10.396 -15.175 -3.753 1.00 22.00 N ATOM 0 H HIS A 5 9.021 -11.100 0.766 1.00 52.40 H new ATOM 0 HA HIS A 5 8.377 -11.916 -2.013 1.00 51.23 H new ATOM 0 HB2 HIS A 5 10.778 -11.881 -1.322 1.00 11.32 H new ATOM 0 HB3 HIS A 5 10.410 -13.032 -0.053 1.00 11.32 H new ATOM 0 HD2 HIS A 5 9.592 -13.145 -3.955 1.00 64.02 H new ATOM 0 HE1 HIS A 5 11.264 -16.846 -2.743 1.00 33.02 H new ATOM 0 HE2 HIS A 5 10.303 -15.540 -4.701 1.00 22.00 H new ATOM 84 N HIS A 6 6.970 -12.909 0.563 1.00 34.21 N ATOM 85 CA HIS A 6 5.998 -13.808 1.176 1.00 74.21 C ATOM 86 C HIS A 6 4.614 -13.565 0.569 1.00 71.31 C ATOM 87 O HIS A 6 3.989 -12.537 0.835 1.00 5.52 O ATOM 88 CB HIS A 6 5.973 -13.579 2.696 1.00 64.32 C ATOM 89 CG HIS A 6 5.046 -14.494 3.441 1.00 13.35 C ATOM 90 ND1 HIS A 6 5.356 -15.801 3.739 1.00 0.10 N ATOM 91 CD2 HIS A 6 3.820 -14.274 3.963 1.00 40.24 C ATOM 92 CE1 HIS A 6 4.359 -16.345 4.412 1.00 55.12 C ATOM 93 NE2 HIS A 6 3.411 -15.440 4.562 1.00 52.24 N ATOM 0 H HIS A 6 7.018 -11.990 1.003 1.00 34.21 H new ATOM 0 HA HIS A 6 6.283 -14.842 0.983 1.00 74.21 H new ATOM 0 HB2 HIS A 6 6.982 -13.705 3.088 1.00 64.32 H new ATOM 0 HB3 HIS A 6 5.682 -12.547 2.892 1.00 64.32 H new ATOM 0 HD2 HIS A 6 3.263 -13.350 3.918 1.00 40.24 H new ATOM 0 HE1 HIS A 6 4.325 -17.360 4.778 1.00 55.12 H new ATOM 0 HE2 HIS A 6 2.523 -15.583 5.043 1.00 52.24 H new ATOM 102 N HIS A 7 4.155 -14.500 -0.263 1.00 31.13 N ATOM 103 CA HIS A 7 2.873 -14.361 -0.957 1.00 13.43 C ATOM 104 C HIS A 7 2.248 -15.729 -1.239 1.00 13.23 C ATOM 105 O HIS A 7 2.523 -16.348 -2.272 1.00 24.42 O ATOM 106 CB HIS A 7 3.056 -13.591 -2.274 1.00 45.10 C ATOM 107 CG HIS A 7 1.784 -13.382 -3.048 1.00 22.34 C ATOM 108 ND1 HIS A 7 1.277 -14.305 -3.939 1.00 12.53 N ATOM 109 CD2 HIS A 7 0.917 -12.340 -3.061 1.00 21.41 C ATOM 110 CE1 HIS A 7 0.160 -13.839 -4.464 1.00 22.12 C ATOM 111 NE2 HIS A 7 -0.082 -12.648 -3.949 1.00 52.52 N ATOM 0 H HIS A 7 4.653 -15.365 -0.474 1.00 31.13 H new ATOM 0 HA HIS A 7 2.201 -13.802 -0.306 1.00 13.43 H new ATOM 0 HB2 HIS A 7 3.499 -12.619 -2.055 1.00 45.10 H new ATOM 0 HB3 HIS A 7 3.765 -14.130 -2.902 1.00 45.10 H new ATOM 0 HD1 HIS A 7 1.700 -15.207 -4.158 1.00 12.53 H new ATOM 0 HD2 HIS A 7 0.998 -11.434 -2.479 1.00 21.41 H new ATOM 0 HE1 HIS A 7 -0.454 -14.347 -5.193 1.00 22.12 H new ATOM 120 N HIS A 8 1.435 -16.202 -0.304 1.00 52.21 N ATOM 121 CA HIS A 8 0.667 -17.436 -0.469 1.00 10.20 C ATOM 122 C HIS A 8 -0.763 -17.090 -0.892 1.00 44.12 C ATOM 123 O HIS A 8 -1.175 -15.937 -0.781 1.00 2.14 O ATOM 124 CB HIS A 8 0.672 -18.228 0.851 1.00 2.10 C ATOM 125 CG HIS A 8 -0.151 -19.479 0.833 1.00 65.54 C ATOM 126 ND1 HIS A 8 -1.421 -19.549 1.363 1.00 13.43 N ATOM 127 CD2 HIS A 8 0.124 -20.717 0.357 1.00 64.25 C ATOM 128 CE1 HIS A 8 -1.891 -20.771 1.213 1.00 71.44 C ATOM 129 NE2 HIS A 8 -0.974 -21.501 0.604 1.00 64.15 N ATOM 0 H HIS A 8 1.287 -15.742 0.594 1.00 52.21 H new ATOM 0 HA HIS A 8 1.120 -18.055 -1.243 1.00 10.20 H new ATOM 0 HB2 HIS A 8 1.701 -18.490 1.098 1.00 2.10 H new ATOM 0 HB3 HIS A 8 0.307 -17.581 1.649 1.00 2.10 H new ATOM 0 HD1 HIS A 8 -1.920 -18.776 1.803 1.00 13.43 H new ATOM 0 HD2 HIS A 8 1.038 -21.029 -0.127 1.00 64.25 H new ATOM 0 HE1 HIS A 8 -2.862 -21.117 1.534 1.00 71.44 H new ATOM 138 N MET A 9 -1.498 -18.073 -1.409 1.00 12.25 N ATOM 139 CA MET A 9 -2.901 -17.876 -1.773 1.00 2.23 C ATOM 140 C MET A 9 -3.726 -19.108 -1.402 1.00 52.43 C ATOM 141 O MET A 9 -4.386 -19.126 -0.367 1.00 54.21 O ATOM 142 CB MET A 9 -3.037 -17.562 -3.273 1.00 51.52 C ATOM 143 CG MET A 9 -4.470 -17.270 -3.711 1.00 71.54 C ATOM 144 SD MET A 9 -5.211 -15.887 -2.817 1.00 31.53 S ATOM 145 CE MET A 9 -4.047 -14.570 -3.167 1.00 44.51 C ATOM 0 H MET A 9 -1.146 -19.014 -1.585 1.00 12.25 H new ATOM 0 HA MET A 9 -3.284 -17.023 -1.213 1.00 2.23 H new ATOM 0 HB2 MET A 9 -2.411 -16.703 -3.514 1.00 51.52 H new ATOM 0 HB3 MET A 9 -2.655 -18.406 -3.848 1.00 51.52 H new ATOM 0 HG2 MET A 9 -4.481 -17.053 -4.779 1.00 71.54 H new ATOM 0 HG3 MET A 9 -5.079 -18.161 -3.561 1.00 71.54 H new ATOM 0 HE1 MET A 9 -4.497 -13.610 -2.914 1.00 44.51 H new ATOM 0 HE2 MET A 9 -3.144 -14.715 -2.574 1.00 44.51 H new ATOM 0 HE3 MET A 9 -3.791 -14.583 -4.226 1.00 44.51 H new ATOM 155 N GLY A 10 -3.656 -20.152 -2.229 1.00 33.52 N ATOM 156 CA GLY A 10 -4.414 -21.368 -1.969 1.00 73.32 C ATOM 157 C GLY A 10 -5.899 -21.211 -2.259 1.00 21.22 C ATOM 158 O GLY A 10 -6.335 -20.166 -2.744 1.00 31.32 O ATOM 0 H GLY A 10 -3.087 -20.177 -3.075 1.00 33.52 H new ATOM 0 HA2 GLY A 10 -4.013 -22.178 -2.579 1.00 73.32 H new ATOM 0 HA3 GLY A 10 -4.281 -21.658 -0.927 1.00 73.32 H new ATOM 162 N THR A 11 -6.670 -22.257 -1.971 1.00 23.20 N ATOM 163 CA THR A 11 -8.115 -22.243 -2.176 1.00 64.11 C ATOM 164 C THR A 11 -8.809 -23.069 -1.088 1.00 2.14 C ATOM 165 O THR A 11 -9.418 -22.521 -0.162 1.00 24.42 O ATOM 166 CB THR A 11 -8.495 -22.800 -3.573 1.00 61.21 C ATOM 167 OG1 THR A 11 -7.745 -22.125 -4.593 1.00 21.55 O ATOM 168 CG2 THR A 11 -9.989 -22.641 -3.847 1.00 2.40 C ATOM 0 H THR A 11 -6.312 -23.133 -1.591 1.00 23.20 H new ATOM 0 HA THR A 11 -8.448 -21.207 -2.119 1.00 64.11 H new ATOM 0 HB THR A 11 -8.255 -23.863 -3.585 1.00 61.21 H new ATOM 0 HG1 THR A 11 -7.990 -22.484 -5.471 1.00 21.55 H new ATOM 0 HG21 THR A 11 -10.223 -23.041 -4.834 1.00 2.40 H new ATOM 0 HG22 THR A 11 -10.557 -23.184 -3.092 1.00 2.40 H new ATOM 0 HG23 THR A 11 -10.255 -21.585 -3.812 1.00 2.40 H new ATOM 176 N LEU A 12 -8.689 -24.391 -1.190 1.00 10.11 N ATOM 177 CA LEU A 12 -9.282 -25.309 -0.222 1.00 62.34 C ATOM 178 C LEU A 12 -8.216 -25.804 0.755 1.00 50.51 C ATOM 179 O LEU A 12 -7.122 -25.238 0.826 1.00 4.12 O ATOM 180 CB LEU A 12 -9.952 -26.486 -0.943 1.00 73.43 C ATOM 181 CG LEU A 12 -11.137 -26.115 -1.848 1.00 43.20 C ATOM 182 CD1 LEU A 12 -11.698 -27.355 -2.537 1.00 34.05 C ATOM 183 CD2 LEU A 12 -12.225 -25.398 -1.046 1.00 2.42 C ATOM 0 H LEU A 12 -8.180 -24.854 -1.943 1.00 10.11 H new ATOM 0 HA LEU A 12 -10.047 -24.779 0.345 1.00 62.34 H new ATOM 0 HB2 LEU A 12 -9.201 -26.995 -1.547 1.00 73.43 H new ATOM 0 HB3 LEU A 12 -10.297 -27.200 -0.195 1.00 73.43 H new ATOM 0 HG LEU A 12 -10.779 -25.433 -2.619 1.00 43.20 H new ATOM 0 HD11 LEU A 12 -12.536 -27.070 -3.173 1.00 34.05 H new ATOM 0 HD12 LEU A 12 -10.920 -27.816 -3.146 1.00 34.05 H new ATOM 0 HD13 LEU A 12 -12.039 -28.066 -1.785 1.00 34.05 H new ATOM 0 HD21 LEU A 12 -13.055 -25.144 -1.705 1.00 2.42 H new ATOM 0 HD22 LEU A 12 -12.581 -26.052 -0.250 1.00 2.42 H new ATOM 0 HD23 LEU A 12 -11.815 -24.487 -0.611 1.00 2.42 H new ATOM 195 N GLU A 13 -8.540 -26.838 1.521 1.00 11.24 N ATOM 196 CA GLU A 13 -7.651 -27.336 2.569 1.00 2.42 C ATOM 197 C GLU A 13 -7.833 -28.837 2.786 1.00 25.54 C ATOM 198 O GLU A 13 -8.607 -29.488 2.088 1.00 43.43 O ATOM 199 CB GLU A 13 -7.916 -26.571 3.883 1.00 52.23 C ATOM 200 CG GLU A 13 -9.387 -26.193 4.111 1.00 2.02 C ATOM 201 CD GLU A 13 -10.349 -27.361 3.940 1.00 23.10 C ATOM 202 OE1 GLU A 13 -10.428 -28.211 4.844 1.00 31.04 O ATOM 203 OE2 GLU A 13 -11.014 -27.437 2.881 1.00 20.54 O ATOM 0 H GLU A 13 -9.417 -27.352 1.437 1.00 11.24 H new ATOM 0 HA GLU A 13 -6.622 -27.168 2.252 1.00 2.42 H new ATOM 0 HB2 GLU A 13 -7.577 -27.182 4.720 1.00 52.23 H new ATOM 0 HB3 GLU A 13 -7.315 -25.662 3.887 1.00 52.23 H new ATOM 0 HG2 GLU A 13 -9.497 -25.786 5.116 1.00 2.02 H new ATOM 0 HG3 GLU A 13 -9.662 -25.401 3.414 1.00 2.02 H new ATOM 210 N ALA A 14 -7.093 -29.378 3.746 1.00 34.40 N ATOM 211 CA ALA A 14 -7.291 -30.748 4.202 1.00 21.23 C ATOM 212 C ALA A 14 -7.701 -30.722 5.668 1.00 55.24 C ATOM 213 O ALA A 14 -8.775 -31.197 6.035 1.00 61.00 O ATOM 214 CB ALA A 14 -6.026 -31.575 4.000 1.00 34.11 C ATOM 0 H ALA A 14 -6.343 -28.883 4.228 1.00 34.40 H new ATOM 0 HA ALA A 14 -8.080 -31.218 3.615 1.00 21.23 H new ATOM 0 HB1 ALA A 14 -6.198 -32.594 4.348 1.00 34.11 H new ATOM 0 HB2 ALA A 14 -5.767 -31.592 2.941 1.00 34.11 H new ATOM 0 HB3 ALA A 14 -5.207 -31.132 4.567 1.00 34.11 H new ATOM 220 N GLN A 15 -6.822 -30.157 6.490 1.00 62.31 N ATOM 221 CA GLN A 15 -7.099 -29.887 7.900 1.00 61.21 C ATOM 222 C GLN A 15 -6.264 -28.694 8.351 1.00 41.33 C ATOM 223 O GLN A 15 -5.029 -28.767 8.360 1.00 55.20 O ATOM 224 CB GLN A 15 -6.775 -31.099 8.792 1.00 32.53 C ATOM 225 CG GLN A 15 -7.706 -32.286 8.600 1.00 2.10 C ATOM 226 CD GLN A 15 -7.438 -33.406 9.586 1.00 32.43 C ATOM 227 OE1 GLN A 15 -8.036 -33.462 10.660 1.00 73.03 O ATOM 228 NE2 GLN A 15 -6.528 -34.299 9.235 1.00 54.22 N ATOM 0 H GLN A 15 -5.889 -29.870 6.195 1.00 62.31 H new ATOM 0 HA GLN A 15 -8.163 -29.674 8.000 1.00 61.21 H new ATOM 0 HB2 GLN A 15 -5.752 -31.419 8.592 1.00 32.53 H new ATOM 0 HB3 GLN A 15 -6.814 -30.787 9.836 1.00 32.53 H new ATOM 0 HG2 GLN A 15 -8.739 -31.953 8.706 1.00 2.10 H new ATOM 0 HG3 GLN A 15 -7.597 -32.667 7.585 1.00 2.10 H new ATOM 0 HE21 GLN A 15 -6.054 -34.218 8.335 1.00 54.22 H new ATOM 0 HE22 GLN A 15 -6.300 -35.069 9.864 1.00 54.22 H new ATOM 237 N THR A 16 -6.918 -27.591 8.696 1.00 54.24 N ATOM 238 CA THR A 16 -6.207 -26.417 9.184 1.00 21.43 C ATOM 239 C THR A 16 -5.899 -26.565 10.674 1.00 75.24 C ATOM 240 O THR A 16 -6.647 -26.094 11.533 1.00 55.04 O ATOM 241 CB THR A 16 -6.986 -25.104 8.906 1.00 2.14 C ATOM 242 OG1 THR A 16 -8.371 -25.250 9.239 1.00 30.03 O ATOM 243 CG2 THR A 16 -6.861 -24.693 7.441 1.00 42.53 C ATOM 0 H THR A 16 -7.931 -27.486 8.647 1.00 54.24 H new ATOM 0 HA THR A 16 -5.268 -26.350 8.635 1.00 21.43 H new ATOM 0 HB THR A 16 -6.547 -24.327 9.533 1.00 2.14 H new ATOM 0 HG1 THR A 16 -8.454 -25.730 10.090 1.00 30.03 H new ATOM 0 HG21 THR A 16 -7.416 -23.770 7.273 1.00 42.53 H new ATOM 0 HG22 THR A 16 -5.811 -24.534 7.196 1.00 42.53 H new ATOM 0 HG23 THR A 16 -7.267 -25.481 6.806 1.00 42.53 H new ATOM 251 N GLN A 17 -4.802 -27.264 10.965 1.00 13.34 N ATOM 252 CA GLN A 17 -4.394 -27.542 12.339 1.00 34.33 C ATOM 253 C GLN A 17 -4.050 -26.254 13.080 1.00 53.31 C ATOM 254 O GLN A 17 -3.296 -25.417 12.580 1.00 40.31 O ATOM 255 CB GLN A 17 -3.191 -28.496 12.355 1.00 1.43 C ATOM 256 CG GLN A 17 -2.760 -28.922 13.757 1.00 44.23 C ATOM 257 CD GLN A 17 -3.861 -29.645 14.518 1.00 62.21 C ATOM 258 OE1 GLN A 17 -4.701 -30.321 13.928 1.00 74.11 O ATOM 259 NE2 GLN A 17 -3.869 -29.501 15.835 1.00 32.34 N ATOM 0 H GLN A 17 -4.176 -27.651 10.259 1.00 13.34 H new ATOM 0 HA GLN A 17 -5.232 -28.017 12.850 1.00 34.33 H new ATOM 0 HB2 GLN A 17 -3.437 -29.385 11.775 1.00 1.43 H new ATOM 0 HB3 GLN A 17 -2.350 -28.013 11.857 1.00 1.43 H new ATOM 0 HG2 GLN A 17 -1.889 -29.573 13.682 1.00 44.23 H new ATOM 0 HG3 GLN A 17 -2.453 -28.041 14.321 1.00 44.23 H new ATOM 0 HE21 GLN A 17 -3.155 -28.932 16.290 1.00 32.34 H new ATOM 0 HE22 GLN A 17 -4.589 -29.959 16.394 1.00 32.34 H new ATOM 268 N GLY A 18 -4.614 -26.109 14.268 1.00 74.42 N ATOM 269 CA GLY A 18 -4.348 -24.959 15.107 1.00 12.00 C ATOM 270 C GLY A 18 -4.876 -25.182 16.508 1.00 35.14 C ATOM 271 O GLY A 18 -5.203 -26.320 16.861 1.00 43.04 O ATOM 0 H GLY A 18 -5.265 -26.782 14.673 1.00 74.42 H new ATOM 0 HA2 GLY A 18 -3.275 -24.770 15.144 1.00 12.00 H new ATOM 0 HA3 GLY A 18 -4.813 -24.073 14.675 1.00 12.00 H new ATOM 275 N PRO A 19 -4.967 -24.131 17.338 1.00 2.43 N ATOM 276 CA PRO A 19 -5.548 -24.244 18.680 1.00 73.41 C ATOM 277 C PRO A 19 -7.024 -24.646 18.611 1.00 73.01 C ATOM 278 O PRO A 19 -7.895 -23.809 18.347 1.00 12.24 O ATOM 279 CB PRO A 19 -5.378 -22.835 19.277 1.00 61.45 C ATOM 280 CG PRO A 19 -4.348 -22.170 18.419 1.00 2.54 C ATOM 281 CD PRO A 19 -4.512 -22.762 17.045 1.00 51.13 C ATOM 0 HA PRO A 19 -5.066 -25.013 19.283 1.00 73.41 H new ATOM 0 HB2 PRO A 19 -6.319 -22.284 19.262 1.00 61.45 H new ATOM 0 HB3 PRO A 19 -5.054 -22.884 20.316 1.00 61.45 H new ATOM 0 HG2 PRO A 19 -4.494 -21.090 18.399 1.00 2.54 H new ATOM 0 HG3 PRO A 19 -3.344 -22.349 18.804 1.00 2.54 H new ATOM 0 HD2 PRO A 19 -5.241 -22.211 16.450 1.00 51.13 H new ATOM 0 HD3 PRO A 19 -3.576 -22.757 16.487 1.00 51.13 H new ATOM 289 N GLY A 20 -7.286 -25.936 18.820 1.00 44.34 N ATOM 290 CA GLY A 20 -8.631 -26.479 18.696 1.00 15.12 C ATOM 291 C GLY A 20 -9.612 -25.886 19.691 1.00 30.50 C ATOM 292 O GLY A 20 -9.881 -26.474 20.740 1.00 30.22 O ATOM 0 H GLY A 20 -6.578 -26.624 19.077 1.00 44.34 H new ATOM 0 HA2 GLY A 20 -8.996 -26.299 17.685 1.00 15.12 H new ATOM 0 HA3 GLY A 20 -8.593 -27.560 18.834 1.00 15.12 H new ATOM 296 N SER A 21 -10.152 -24.722 19.356 1.00 5.35 N ATOM 297 CA SER A 21 -11.127 -24.043 20.201 1.00 13.22 C ATOM 298 C SER A 21 -12.551 -24.453 19.819 1.00 35.21 C ATOM 299 O SER A 21 -13.401 -23.608 19.535 1.00 61.22 O ATOM 300 CB SER A 21 -10.948 -22.528 20.067 1.00 65.31 C ATOM 301 OG SER A 21 -9.604 -22.154 20.338 1.00 31.31 O ATOM 0 H SER A 21 -9.928 -24.223 18.495 1.00 5.35 H new ATOM 0 HA SER A 21 -10.963 -24.332 21.239 1.00 13.22 H new ATOM 0 HB2 SER A 21 -11.222 -22.212 19.060 1.00 65.31 H new ATOM 0 HB3 SER A 21 -11.619 -22.015 20.756 1.00 65.31 H new ATOM 0 HG SER A 21 -9.015 -22.531 19.652 1.00 31.31 H new ATOM 307 N MET A 22 -12.801 -25.762 19.805 1.00 40.34 N ATOM 308 CA MET A 22 -14.127 -26.289 19.486 1.00 11.43 C ATOM 309 C MET A 22 -15.073 -26.131 20.678 1.00 25.31 C ATOM 310 O MET A 22 -15.421 -27.104 21.348 1.00 73.35 O ATOM 311 CB MET A 22 -14.045 -27.763 19.052 1.00 14.10 C ATOM 312 CG MET A 22 -13.381 -27.976 17.695 1.00 73.13 C ATOM 313 SD MET A 22 -11.683 -27.369 17.640 1.00 12.04 S ATOM 314 CE MET A 22 -11.241 -27.764 15.948 1.00 34.42 C ATOM 0 H MET A 22 -12.103 -26.477 20.011 1.00 40.34 H new ATOM 0 HA MET A 22 -14.526 -25.712 18.651 1.00 11.43 H new ATOM 0 HB2 MET A 22 -13.493 -28.323 19.807 1.00 14.10 H new ATOM 0 HB3 MET A 22 -15.052 -28.178 19.021 1.00 14.10 H new ATOM 0 HG2 MET A 22 -13.389 -29.039 17.455 1.00 73.13 H new ATOM 0 HG3 MET A 22 -13.967 -27.472 16.927 1.00 73.13 H new ATOM 0 HE1 MET A 22 -10.215 -27.449 15.757 1.00 34.42 H new ATOM 0 HE2 MET A 22 -11.326 -28.839 15.791 1.00 34.42 H new ATOM 0 HE3 MET A 22 -11.913 -27.244 15.265 1.00 34.42 H new ATOM 324 N ASP A 23 -15.450 -24.886 20.949 1.00 74.42 N ATOM 325 CA ASP A 23 -16.392 -24.557 22.021 1.00 12.13 C ATOM 326 C ASP A 23 -17.673 -24.016 21.433 1.00 74.30 C ATOM 327 O ASP A 23 -18.775 -24.463 21.758 1.00 71.42 O ATOM 328 CB ASP A 23 -15.770 -23.529 22.982 1.00 21.15 C ATOM 329 CG ASP A 23 -16.795 -22.875 23.906 1.00 3.10 C ATOM 330 OD1 ASP A 23 -17.331 -23.562 24.804 1.00 33.13 O ATOM 331 OD2 ASP A 23 -17.069 -21.666 23.736 1.00 40.20 O ATOM 0 H ASP A 23 -15.113 -24.073 20.433 1.00 74.42 H new ATOM 0 HA ASP A 23 -16.617 -25.464 22.583 1.00 12.13 H new ATOM 0 HB2 ASP A 23 -15.007 -24.020 23.586 1.00 21.15 H new ATOM 0 HB3 ASP A 23 -15.268 -22.755 22.401 1.00 21.15 H new ATOM 336 N ASP A 24 -17.508 -23.064 20.550 1.00 42.31 N ATOM 337 CA ASP A 24 -18.596 -22.378 19.931 1.00 42.05 C ATOM 338 C ASP A 24 -18.923 -22.986 18.571 1.00 40.34 C ATOM 339 O ASP A 24 -18.287 -23.956 18.144 1.00 21.12 O ATOM 340 CB ASP A 24 -18.194 -20.919 19.828 1.00 70.42 C ATOM 341 CG ASP A 24 -16.942 -20.698 18.986 1.00 43.13 C ATOM 342 OD1 ASP A 24 -15.846 -21.096 19.438 1.00 14.53 O ATOM 343 OD2 ASP A 24 -17.040 -20.120 17.882 1.00 1.13 O ATOM 0 H ASP A 24 -16.591 -22.743 20.240 1.00 42.31 H new ATOM 0 HA ASP A 24 -19.508 -22.471 20.521 1.00 42.05 H new ATOM 0 HB2 ASP A 24 -19.019 -20.351 19.397 1.00 70.42 H new ATOM 0 HB3 ASP A 24 -18.025 -20.524 20.830 1.00 70.42 H new ATOM 348 N GLU A 25 -19.930 -22.430 17.910 1.00 43.24 N ATOM 349 CA GLU A 25 -20.433 -22.979 16.660 1.00 32.13 C ATOM 350 C GLU A 25 -19.396 -22.849 15.547 1.00 71.11 C ATOM 351 O GLU A 25 -18.573 -21.935 15.554 1.00 11.21 O ATOM 352 CB GLU A 25 -21.739 -22.274 16.259 1.00 24.04 C ATOM 353 CG GLU A 25 -22.898 -22.489 17.237 1.00 41.52 C ATOM 354 CD GLU A 25 -22.654 -21.891 18.618 1.00 11.45 C ATOM 355 OE1 GLU A 25 -22.773 -20.656 18.764 1.00 40.34 O ATOM 356 OE2 GLU A 25 -22.354 -22.650 19.566 1.00 25.03 O ATOM 0 H GLU A 25 -20.418 -21.591 18.224 1.00 43.24 H new ATOM 0 HA GLU A 25 -20.635 -24.040 16.810 1.00 32.13 H new ATOM 0 HB2 GLU A 25 -21.548 -21.205 16.170 1.00 24.04 H new ATOM 0 HB3 GLU A 25 -22.041 -22.627 15.273 1.00 24.04 H new ATOM 0 HG2 GLU A 25 -23.803 -22.051 16.816 1.00 41.52 H new ATOM 0 HG3 GLU A 25 -23.080 -23.559 17.341 1.00 41.52 H new ATOM 363 N LEU A 26 -19.444 -23.776 14.595 1.00 21.21 N ATOM 364 CA LEU A 26 -18.512 -23.783 13.472 1.00 15.43 C ATOM 365 C LEU A 26 -18.777 -22.606 12.534 1.00 11.11 C ATOM 366 O LEU A 26 -19.902 -22.116 12.430 1.00 33.23 O ATOM 367 CB LEU A 26 -18.602 -25.109 12.690 1.00 3.44 C ATOM 368 CG LEU A 26 -17.871 -26.310 13.320 1.00 42.43 C ATOM 369 CD1 LEU A 26 -18.419 -26.629 14.707 1.00 63.11 C ATOM 370 CD2 LEU A 26 -17.958 -27.532 12.411 1.00 21.13 C ATOM 0 H LEU A 26 -20.123 -24.537 14.579 1.00 21.21 H new ATOM 0 HA LEU A 26 -17.505 -23.685 13.878 1.00 15.43 H new ATOM 0 HB2 LEU A 26 -19.654 -25.369 12.573 1.00 3.44 H new ATOM 0 HB3 LEU A 26 -18.200 -24.947 11.690 1.00 3.44 H new ATOM 0 HG LEU A 26 -16.821 -26.038 13.432 1.00 42.43 H new ATOM 0 HD11 LEU A 26 -17.882 -27.481 15.123 1.00 63.11 H new ATOM 0 HD12 LEU A 26 -18.288 -25.764 15.358 1.00 63.11 H new ATOM 0 HD13 LEU A 26 -19.479 -26.870 14.633 1.00 63.11 H new ATOM 0 HD21 LEU A 26 -17.435 -28.369 12.875 1.00 21.13 H new ATOM 0 HD22 LEU A 26 -19.004 -27.798 12.258 1.00 21.13 H new ATOM 0 HD23 LEU A 26 -17.497 -27.304 11.450 1.00 21.13 H new ATOM 382 N TYR A 27 -17.723 -22.162 11.864 1.00 5.01 N ATOM 383 CA TYR A 27 -17.798 -21.091 10.878 1.00 1.23 C ATOM 384 C TYR A 27 -17.251 -21.579 9.548 1.00 21.45 C ATOM 385 O TYR A 27 -16.361 -22.429 9.510 1.00 35.30 O ATOM 386 CB TYR A 27 -16.965 -19.875 11.323 1.00 52.12 C ATOM 387 CG TYR A 27 -17.545 -19.092 12.483 1.00 2.32 C ATOM 388 CD1 TYR A 27 -17.538 -19.609 13.772 1.00 64.22 C ATOM 389 CD2 TYR A 27 -18.089 -17.826 12.288 1.00 22.21 C ATOM 390 CE1 TYR A 27 -18.056 -18.892 14.832 1.00 54.23 C ATOM 391 CE2 TYR A 27 -18.611 -17.103 13.343 1.00 1.01 C ATOM 392 CZ TYR A 27 -18.591 -17.641 14.613 1.00 13.21 C ATOM 393 OH TYR A 27 -19.104 -16.922 15.669 1.00 30.44 O ATOM 0 H TYR A 27 -16.783 -22.538 11.990 1.00 5.01 H new ATOM 0 HA TYR A 27 -18.843 -20.799 10.780 1.00 1.23 H new ATOM 0 HB2 TYR A 27 -15.968 -20.218 11.598 1.00 52.12 H new ATOM 0 HB3 TYR A 27 -16.848 -19.203 10.473 1.00 52.12 H new ATOM 0 HD1 TYR A 27 -17.120 -20.589 13.948 1.00 64.22 H new ATOM 0 HD2 TYR A 27 -18.103 -17.402 11.295 1.00 22.21 H new ATOM 0 HE1 TYR A 27 -18.042 -19.309 15.828 1.00 54.23 H new ATOM 0 HE2 TYR A 27 -19.032 -16.123 13.175 1.00 1.01 H new ATOM 0 HH TYR A 27 -19.441 -16.061 15.345 1.00 30.44 H new ATOM 403 N PHE A 28 -17.789 -21.039 8.467 1.00 71.32 N ATOM 404 CA PHE A 28 -17.222 -21.229 7.142 1.00 10.14 C ATOM 405 C PHE A 28 -16.732 -19.893 6.621 1.00 42.44 C ATOM 406 O PHE A 28 -17.207 -18.836 7.055 1.00 44.14 O ATOM 407 CB PHE A 28 -18.252 -21.827 6.165 1.00 40.34 C ATOM 408 CG PHE A 28 -17.980 -23.269 5.819 1.00 41.12 C ATOM 409 CD1 PHE A 28 -16.713 -23.670 5.434 1.00 65.42 C ATOM 410 CD2 PHE A 28 -18.983 -24.217 5.879 1.00 74.33 C ATOM 411 CE1 PHE A 28 -16.456 -24.986 5.123 1.00 62.14 C ATOM 412 CE2 PHE A 28 -18.726 -25.542 5.568 1.00 21.32 C ATOM 413 CZ PHE A 28 -17.462 -25.923 5.189 1.00 60.33 C ATOM 0 H PHE A 28 -18.628 -20.459 8.483 1.00 71.32 H new ATOM 0 HA PHE A 28 -16.393 -21.933 7.217 1.00 10.14 H new ATOM 0 HB2 PHE A 28 -19.247 -21.747 6.603 1.00 40.34 H new ATOM 0 HB3 PHE A 28 -18.259 -21.236 5.249 1.00 40.34 H new ATOM 0 HD1 PHE A 28 -15.917 -22.942 5.377 1.00 65.42 H new ATOM 0 HD2 PHE A 28 -19.980 -23.921 6.172 1.00 74.33 H new ATOM 0 HE1 PHE A 28 -15.461 -25.284 4.826 1.00 62.14 H new ATOM 0 HE2 PHE A 28 -19.518 -26.274 5.623 1.00 21.32 H new ATOM 0 HZ PHE A 28 -17.258 -26.955 4.944 1.00 60.33 H new ATOM 423 N VAL A 29 -15.784 -19.940 5.702 1.00 31.31 N ATOM 424 CA VAL A 29 -15.304 -18.736 5.057 1.00 3.35 C ATOM 425 C VAL A 29 -16.249 -18.412 3.913 1.00 63.31 C ATOM 426 O VAL A 29 -16.338 -19.165 2.962 1.00 22.10 O ATOM 427 CB VAL A 29 -13.861 -18.911 4.521 1.00 23.40 C ATOM 428 CG1 VAL A 29 -13.388 -17.640 3.826 1.00 63.55 C ATOM 429 CG2 VAL A 29 -12.905 -19.311 5.648 1.00 71.30 C ATOM 0 H VAL A 29 -15.333 -20.799 5.387 1.00 31.31 H new ATOM 0 HA VAL A 29 -15.279 -17.924 5.783 1.00 3.35 H new ATOM 0 HB VAL A 29 -13.865 -19.716 3.786 1.00 23.40 H new ATOM 0 HG11 VAL A 29 -12.373 -17.784 3.457 1.00 63.55 H new ATOM 0 HG12 VAL A 29 -14.050 -17.415 2.990 1.00 63.55 H new ATOM 0 HG13 VAL A 29 -13.403 -16.811 4.534 1.00 63.55 H new ATOM 0 HG21 VAL A 29 -11.898 -19.428 5.247 1.00 71.30 H new ATOM 0 HG22 VAL A 29 -12.902 -18.536 6.415 1.00 71.30 H new ATOM 0 HG23 VAL A 29 -13.233 -20.254 6.086 1.00 71.30 H new ATOM 439 N VAL A 30 -16.952 -17.301 3.996 1.00 64.44 N ATOM 440 CA VAL A 30 -18.018 -17.009 3.049 1.00 74.31 C ATOM 441 C VAL A 30 -17.793 -15.665 2.394 1.00 41.10 C ATOM 442 O VAL A 30 -17.038 -14.827 2.908 1.00 44.12 O ATOM 443 CB VAL A 30 -19.405 -16.993 3.738 1.00 20.14 C ATOM 444 CG1 VAL A 30 -19.630 -18.284 4.518 1.00 2.32 C ATOM 445 CG2 VAL A 30 -19.552 -15.762 4.634 1.00 64.13 C ATOM 0 H VAL A 30 -16.808 -16.584 4.707 1.00 64.44 H new ATOM 0 HA VAL A 30 -18.002 -17.800 2.299 1.00 74.31 H new ATOM 0 HB VAL A 30 -20.174 -16.932 2.968 1.00 20.14 H new ATOM 0 HG11 VAL A 30 -20.609 -18.255 4.995 1.00 2.32 H new ATOM 0 HG12 VAL A 30 -19.584 -19.134 3.837 1.00 2.32 H new ATOM 0 HG13 VAL A 30 -18.858 -18.388 5.280 1.00 2.32 H new ATOM 0 HG21 VAL A 30 -20.534 -15.772 5.108 1.00 64.13 H new ATOM 0 HG22 VAL A 30 -18.779 -15.776 5.402 1.00 64.13 H new ATOM 0 HG23 VAL A 30 -19.449 -14.859 4.032 1.00 64.13 H new ATOM 455 N ARG A 31 -18.430 -15.479 1.248 1.00 74.21 N ATOM 456 CA ARG A 31 -18.365 -14.203 0.540 1.00 61.34 C ATOM 457 C ARG A 31 -19.497 -14.091 -0.475 1.00 65.32 C ATOM 458 O ARG A 31 -20.114 -15.099 -0.833 1.00 35.24 O ATOM 459 CB ARG A 31 -17.007 -14.067 -0.165 1.00 41.42 C ATOM 460 CG ARG A 31 -16.758 -15.138 -1.219 1.00 24.13 C ATOM 461 CD ARG A 31 -15.417 -14.969 -1.919 1.00 34.43 C ATOM 462 NE ARG A 31 -15.233 -15.983 -2.958 1.00 52.03 N ATOM 463 CZ ARG A 31 -14.270 -15.966 -3.875 1.00 70.33 C ATOM 464 NH1 ARG A 31 -13.348 -15.006 -3.873 1.00 13.04 N ATOM 465 NH2 ARG A 31 -14.228 -16.923 -4.793 1.00 53.34 N ATOM 0 H ARG A 31 -18.997 -16.191 0.787 1.00 74.21 H new ATOM 0 HA ARG A 31 -18.475 -13.397 1.265 1.00 61.34 H new ATOM 0 HB2 ARG A 31 -16.948 -13.085 -0.635 1.00 41.42 H new ATOM 0 HB3 ARG A 31 -16.214 -14.112 0.581 1.00 41.42 H new ATOM 0 HG2 ARG A 31 -16.797 -16.121 -0.749 1.00 24.13 H new ATOM 0 HG3 ARG A 31 -17.557 -15.106 -1.960 1.00 24.13 H new ATOM 0 HD2 ARG A 31 -15.357 -13.975 -2.362 1.00 34.43 H new ATOM 0 HD3 ARG A 31 -14.611 -15.041 -1.189 1.00 34.43 H new ATOM 0 HE ARG A 31 -15.893 -16.761 -2.981 1.00 52.03 H new ATOM 0 HH11 ARG A 31 -13.376 -14.274 -3.163 1.00 13.04 H new ATOM 0 HH12 ARG A 31 -12.614 -15.003 -4.581 1.00 13.04 H new ATOM 0 HH21 ARG A 31 -14.930 -17.663 -4.791 1.00 53.34 H new ATOM 0 HH22 ARG A 31 -13.493 -16.919 -5.501 1.00 53.34 H new ATOM 479 N ASN A 32 -19.785 -12.870 -0.922 1.00 2.23 N ATOM 480 CA ASN A 32 -20.739 -12.663 -2.009 1.00 31.43 C ATOM 481 C ASN A 32 -20.402 -11.385 -2.772 1.00 1.13 C ATOM 482 O ASN A 32 -20.076 -10.364 -2.165 1.00 32.34 O ATOM 483 CB ASN A 32 -22.167 -12.560 -1.440 1.00 44.45 C ATOM 484 CG ASN A 32 -22.451 -11.208 -0.795 1.00 22.14 C ATOM 485 OD1 ASN A 32 -23.075 -10.336 -1.406 1.00 21.30 O ATOM 486 ND2 ASN A 32 -21.970 -11.009 0.424 1.00 21.21 N ATOM 0 H ASN A 32 -19.374 -12.014 -0.551 1.00 2.23 H new ATOM 0 HA ASN A 32 -20.680 -13.511 -2.691 1.00 31.43 H new ATOM 0 HB2 ASN A 32 -22.886 -12.733 -2.241 1.00 44.45 H new ATOM 0 HB3 ASN A 32 -22.317 -13.348 -0.702 1.00 44.45 H new ATOM 0 HD21 ASN A 32 -22.111 -10.111 0.888 1.00 21.21 H new ATOM 0 HD22 ASN A 32 -21.459 -11.753 0.898 1.00 21.21 H new ATOM 493 N ASN A 33 -20.527 -11.444 -4.102 1.00 42.50 N ATOM 494 CA ASN A 33 -20.352 -10.286 -5.001 1.00 1.24 C ATOM 495 C ASN A 33 -19.086 -9.441 -4.702 1.00 14.24 C ATOM 496 O ASN A 33 -18.847 -8.419 -5.348 1.00 32.20 O ATOM 497 CB ASN A 33 -21.621 -9.413 -4.943 1.00 73.12 C ATOM 498 CG ASN A 33 -21.564 -8.192 -5.849 1.00 2.33 C ATOM 499 OD1 ASN A 33 -21.873 -8.270 -7.037 1.00 42.53 O ATOM 500 ND2 ASN A 33 -21.181 -7.053 -5.288 1.00 65.15 N ATOM 0 H ASN A 33 -20.756 -12.307 -4.596 1.00 42.50 H new ATOM 0 HA ASN A 33 -20.201 -10.678 -6.007 1.00 1.24 H new ATOM 0 HB2 ASN A 33 -22.482 -10.021 -5.220 1.00 73.12 H new ATOM 0 HB3 ASN A 33 -21.779 -9.085 -3.916 1.00 73.12 H new ATOM 0 HD21 ASN A 33 -21.135 -6.200 -5.846 1.00 65.15 H new ATOM 0 HD22 ASN A 33 -20.933 -7.030 -4.299 1.00 65.15 H new ATOM 507 N GLU A 34 -18.257 -9.881 -3.760 1.00 12.12 N ATOM 508 CA GLU A 34 -17.163 -9.051 -3.254 1.00 15.25 C ATOM 509 C GLU A 34 -15.796 -9.601 -3.648 1.00 55.43 C ATOM 510 O GLU A 34 -14.847 -8.839 -3.842 1.00 11.43 O ATOM 511 CB GLU A 34 -17.272 -8.946 -1.727 1.00 31.40 C ATOM 512 CG GLU A 34 -17.120 -10.281 -1.003 1.00 45.21 C ATOM 513 CD GLU A 34 -17.500 -10.193 0.464 1.00 55.45 C ATOM 514 OE1 GLU A 34 -16.751 -9.564 1.237 1.00 70.25 O ATOM 515 OE2 GLU A 34 -18.565 -10.731 0.841 1.00 52.32 O ATOM 0 H GLU A 34 -18.320 -10.804 -3.331 1.00 12.12 H new ATOM 0 HA GLU A 34 -17.252 -8.062 -3.704 1.00 15.25 H new ATOM 0 HB2 GLU A 34 -16.508 -8.258 -1.364 1.00 31.40 H new ATOM 0 HB3 GLU A 34 -18.239 -8.513 -1.470 1.00 31.40 H new ATOM 0 HG2 GLU A 34 -17.744 -11.029 -1.492 1.00 45.21 H new ATOM 0 HG3 GLU A 34 -16.088 -10.621 -1.088 1.00 45.21 H new ATOM 522 N GLY A 35 -15.692 -10.921 -3.746 1.00 13.30 N ATOM 523 CA GLY A 35 -14.416 -11.561 -4.027 1.00 3.53 C ATOM 524 C GLY A 35 -13.519 -11.648 -2.795 1.00 21.20 C ATOM 525 O GLY A 35 -12.646 -12.516 -2.723 1.00 11.05 O ATOM 0 H GLY A 35 -16.474 -11.566 -3.635 1.00 13.30 H new ATOM 0 HA2 GLY A 35 -14.594 -12.564 -4.414 1.00 3.53 H new ATOM 0 HA3 GLY A 35 -13.899 -11.005 -4.809 1.00 3.53 H new ATOM 529 N GLN A 36 -13.761 -10.773 -1.813 1.00 72.42 N ATOM 530 CA GLN A 36 -13.025 -10.791 -0.546 1.00 74.31 C ATOM 531 C GLN A 36 -13.521 -11.943 0.321 1.00 21.04 C ATOM 532 O GLN A 36 -14.480 -12.620 -0.041 1.00 51.11 O ATOM 533 CB GLN A 36 -13.193 -9.460 0.204 1.00 41.20 C ATOM 534 CG GLN A 36 -12.670 -8.245 -0.556 1.00 14.33 C ATOM 535 CD GLN A 36 -12.779 -6.957 0.250 1.00 24.11 C ATOM 536 OE1 GLN A 36 -12.681 -6.963 1.478 1.00 61.54 O ATOM 537 NE2 GLN A 36 -12.997 -5.846 -0.435 1.00 51.11 N ATOM 0 H GLN A 36 -14.466 -10.039 -1.873 1.00 72.42 H new ATOM 0 HA GLN A 36 -11.966 -10.930 -0.763 1.00 74.31 H new ATOM 0 HB2 GLN A 36 -14.250 -9.310 0.423 1.00 41.20 H new ATOM 0 HB3 GLN A 36 -12.675 -9.527 1.161 1.00 41.20 H new ATOM 0 HG2 GLN A 36 -11.628 -8.412 -0.827 1.00 14.33 H new ATOM 0 HG3 GLN A 36 -13.228 -8.135 -1.486 1.00 14.33 H new ATOM 0 HE21 GLN A 36 -13.072 -5.880 -1.452 1.00 51.11 H new ATOM 0 HE22 GLN A 36 -13.090 -4.955 0.054 1.00 51.11 H new ATOM 546 N TYR A 37 -12.868 -12.173 1.456 1.00 44.03 N ATOM 547 CA TYR A 37 -13.220 -13.295 2.322 1.00 31.33 C ATOM 548 C TYR A 37 -13.744 -12.835 3.672 1.00 72.14 C ATOM 549 O TYR A 37 -13.202 -11.918 4.290 1.00 73.10 O ATOM 550 CB TYR A 37 -12.019 -14.232 2.499 1.00 65.43 C ATOM 551 CG TYR A 37 -11.844 -15.165 1.325 1.00 23.52 C ATOM 552 CD1 TYR A 37 -12.885 -16.007 0.964 1.00 60.30 C ATOM 553 CD2 TYR A 37 -10.670 -15.205 0.580 1.00 24.31 C ATOM 554 CE1 TYR A 37 -12.767 -16.867 -0.108 1.00 72.34 C ATOM 555 CE2 TYR A 37 -10.544 -16.064 -0.496 1.00 24.44 C ATOM 556 CZ TYR A 37 -11.595 -16.892 -0.835 1.00 11.32 C ATOM 557 OH TYR A 37 -11.472 -17.750 -1.903 1.00 0.35 O ATOM 0 H TYR A 37 -12.096 -11.601 1.797 1.00 44.03 H new ATOM 0 HA TYR A 37 -14.027 -13.841 1.834 1.00 31.33 H new ATOM 0 HB2 TYR A 37 -11.114 -13.639 2.627 1.00 65.43 H new ATOM 0 HB3 TYR A 37 -12.148 -14.817 3.409 1.00 65.43 H new ATOM 0 HD1 TYR A 37 -13.804 -15.989 1.532 1.00 60.30 H new ATOM 0 HD2 TYR A 37 -9.847 -14.557 0.845 1.00 24.31 H new ATOM 0 HE1 TYR A 37 -13.587 -17.517 -0.376 1.00 72.34 H new ATOM 0 HE2 TYR A 37 -9.628 -16.087 -1.068 1.00 24.44 H new ATOM 0 HH TYR A 37 -10.586 -17.643 -2.308 1.00 0.35 H new ATOM 567 N SER A 38 -14.820 -13.481 4.108 1.00 71.15 N ATOM 568 CA SER A 38 -15.398 -13.250 5.419 1.00 73.51 C ATOM 569 C SER A 38 -15.745 -14.591 6.066 1.00 12.10 C ATOM 570 O SER A 38 -15.458 -15.639 5.496 1.00 11.10 O ATOM 571 CB SER A 38 -16.637 -12.352 5.309 1.00 52.44 C ATOM 572 OG SER A 38 -16.308 -11.095 4.734 1.00 71.45 O ATOM 0 H SER A 38 -15.315 -14.182 3.557 1.00 71.15 H new ATOM 0 HA SER A 38 -14.672 -12.735 6.049 1.00 73.51 H new ATOM 0 HB2 SER A 38 -17.395 -12.846 4.702 1.00 52.44 H new ATOM 0 HB3 SER A 38 -17.070 -12.201 6.298 1.00 52.44 H new ATOM 0 HG SER A 38 -17.115 -10.542 4.673 1.00 71.45 H new ATOM 578 N VAL A 39 -16.314 -14.566 7.274 1.00 63.03 N ATOM 579 CA VAL A 39 -16.692 -15.799 7.969 1.00 5.30 C ATOM 580 C VAL A 39 -18.144 -15.740 8.442 1.00 14.12 C ATOM 581 O VAL A 39 -18.667 -14.661 8.738 1.00 3.12 O ATOM 582 CB VAL A 39 -15.751 -16.093 9.162 1.00 35.10 C ATOM 583 CG1 VAL A 39 -14.333 -16.356 8.663 1.00 34.34 C ATOM 584 CG2 VAL A 39 -15.764 -14.947 10.172 1.00 24.42 C ATOM 0 H VAL A 39 -16.522 -13.710 7.789 1.00 63.03 H new ATOM 0 HA VAL A 39 -16.593 -16.615 7.253 1.00 5.30 H new ATOM 0 HB VAL A 39 -16.115 -16.986 9.670 1.00 35.10 H new ATOM 0 HG11 VAL A 39 -13.681 -16.561 9.512 1.00 34.34 H new ATOM 0 HG12 VAL A 39 -14.337 -17.215 7.992 1.00 34.34 H new ATOM 0 HG13 VAL A 39 -13.967 -15.480 8.128 1.00 34.34 H new ATOM 0 HG21 VAL A 39 -15.094 -15.183 10.998 1.00 24.42 H new ATOM 0 HG22 VAL A 39 -15.432 -14.030 9.686 1.00 24.42 H new ATOM 0 HG23 VAL A 39 -16.776 -14.810 10.553 1.00 24.42 H new ATOM 594 N TRP A 40 -18.781 -16.906 8.506 1.00 31.10 N ATOM 595 CA TRP A 40 -20.215 -17.013 8.785 1.00 74.31 C ATOM 596 C TRP A 40 -20.502 -18.324 9.519 1.00 25.31 C ATOM 597 O TRP A 40 -19.889 -19.348 9.217 1.00 1.51 O ATOM 598 CB TRP A 40 -20.959 -16.961 7.443 1.00 25.04 C ATOM 599 CG TRP A 40 -22.460 -16.990 7.496 1.00 64.03 C ATOM 600 CD1 TRP A 40 -23.263 -18.094 7.510 1.00 73.50 C ATOM 601 CD2 TRP A 40 -23.333 -15.858 7.474 1.00 63.34 C ATOM 602 NE1 TRP A 40 -24.583 -17.716 7.503 1.00 4.55 N ATOM 603 CE2 TRP A 40 -24.652 -16.347 7.485 1.00 73.33 C ATOM 604 CE3 TRP A 40 -23.126 -14.477 7.450 1.00 72.11 C ATOM 605 CZ2 TRP A 40 -25.759 -15.504 7.472 1.00 64.30 C ATOM 606 CZ3 TRP A 40 -24.227 -13.640 7.438 1.00 51.14 C ATOM 607 CH2 TRP A 40 -25.529 -14.156 7.447 1.00 71.21 C ATOM 0 H TRP A 40 -18.320 -17.805 8.366 1.00 31.10 H new ATOM 0 HA TRP A 40 -20.550 -16.195 9.423 1.00 74.31 H new ATOM 0 HB2 TRP A 40 -20.656 -16.053 6.922 1.00 25.04 H new ATOM 0 HB3 TRP A 40 -20.625 -17.803 6.837 1.00 25.04 H new ATOM 0 HD1 TRP A 40 -22.911 -19.115 7.524 1.00 73.50 H new ATOM 0 HE1 TRP A 40 -25.382 -18.350 7.510 1.00 4.55 H new ATOM 0 HE3 TRP A 40 -22.125 -14.071 7.441 1.00 72.11 H new ATOM 0 HZ2 TRP A 40 -26.764 -15.900 7.481 1.00 64.30 H new ATOM 0 HZ3 TRP A 40 -24.080 -12.570 7.421 1.00 51.14 H new ATOM 0 HH2 TRP A 40 -26.368 -13.476 7.434 1.00 71.21 H new ATOM 618 N MET A 41 -21.418 -18.287 10.485 1.00 15.53 N ATOM 619 CA MET A 41 -21.758 -19.477 11.267 1.00 1.22 C ATOM 620 C MET A 41 -22.412 -20.546 10.398 1.00 72.33 C ATOM 621 O MET A 41 -23.316 -20.261 9.611 1.00 71.32 O ATOM 622 CB MET A 41 -22.671 -19.118 12.453 1.00 42.31 C ATOM 623 CG MET A 41 -21.914 -18.951 13.761 1.00 31.15 C ATOM 624 SD MET A 41 -22.993 -18.526 15.145 1.00 32.11 S ATOM 625 CE MET A 41 -21.795 -18.373 16.472 1.00 73.30 C ATOM 0 H MET A 41 -21.938 -17.449 10.745 1.00 15.53 H new ATOM 0 HA MET A 41 -20.826 -19.884 11.660 1.00 1.22 H new ATOM 0 HB2 MET A 41 -23.202 -18.193 12.227 1.00 42.31 H new ATOM 0 HB3 MET A 41 -23.424 -19.897 12.573 1.00 42.31 H new ATOM 0 HG2 MET A 41 -21.385 -19.876 13.990 1.00 31.15 H new ATOM 0 HG3 MET A 41 -21.160 -18.173 13.642 1.00 31.15 H new ATOM 0 HE1 MET A 41 -22.254 -18.676 17.413 1.00 73.30 H new ATOM 0 HE2 MET A 41 -20.938 -19.013 16.264 1.00 73.30 H new ATOM 0 HE3 MET A 41 -21.465 -17.337 16.547 1.00 73.30 H new ATOM 635 N ASP A 42 -21.957 -21.781 10.563 1.00 51.30 N ATOM 636 CA ASP A 42 -22.457 -22.900 9.772 1.00 11.42 C ATOM 637 C ASP A 42 -23.810 -23.365 10.302 1.00 34.45 C ATOM 638 O ASP A 42 -24.086 -23.271 11.504 1.00 34.15 O ATOM 639 CB ASP A 42 -21.457 -24.063 9.772 1.00 70.44 C ATOM 640 CG ASP A 42 -21.946 -25.236 8.930 1.00 62.11 C ATOM 641 OD1 ASP A 42 -21.941 -25.123 7.686 1.00 62.33 O ATOM 642 OD2 ASP A 42 -22.365 -26.261 9.509 1.00 14.52 O ATOM 0 H ASP A 42 -21.239 -22.035 11.241 1.00 51.30 H new ATOM 0 HA ASP A 42 -22.582 -22.558 8.744 1.00 11.42 H new ATOM 0 HB2 ASP A 42 -20.498 -23.716 9.388 1.00 70.44 H new ATOM 0 HB3 ASP A 42 -21.289 -24.397 10.796 1.00 70.44 H new ATOM 647 N GLY A 43 -24.656 -23.848 9.400 1.00 43.50 N ATOM 648 CA GLY A 43 -26.007 -24.237 9.764 1.00 3.14 C ATOM 649 C GLY A 43 -26.984 -23.105 9.530 1.00 31.24 C ATOM 650 O GLY A 43 -28.198 -23.307 9.510 1.00 3.04 O ATOM 0 H GLY A 43 -24.428 -23.978 8.414 1.00 43.50 H new ATOM 0 HA2 GLY A 43 -26.308 -25.107 9.180 1.00 3.14 H new ATOM 0 HA3 GLY A 43 -26.033 -24.533 10.813 1.00 3.14 H new ATOM 654 N ARG A 44 -26.443 -21.901 9.364 1.00 4.12 N ATOM 655 CA ARG A 44 -27.243 -20.725 9.055 1.00 32.44 C ATOM 656 C ARG A 44 -27.275 -20.538 7.540 1.00 64.22 C ATOM 657 O ARG A 44 -26.344 -19.979 6.957 1.00 52.23 O ATOM 658 CB ARG A 44 -26.661 -19.491 9.761 1.00 0.23 C ATOM 659 CG ARG A 44 -27.575 -18.272 9.742 1.00 25.34 C ATOM 660 CD ARG A 44 -26.968 -17.108 10.514 1.00 30.41 C ATOM 661 NE ARG A 44 -27.904 -15.993 10.661 1.00 65.32 N ATOM 662 CZ ARG A 44 -27.544 -14.708 10.699 1.00 41.11 C ATOM 663 NH1 ARG A 44 -26.268 -14.369 10.552 1.00 33.33 N ATOM 664 NH2 ARG A 44 -28.462 -13.770 10.886 1.00 23.54 N ATOM 0 H ARG A 44 -25.443 -21.716 9.440 1.00 4.12 H new ATOM 0 HA ARG A 44 -28.263 -20.857 9.415 1.00 32.44 H new ATOM 0 HB2 ARG A 44 -26.440 -19.749 10.797 1.00 0.23 H new ATOM 0 HB3 ARG A 44 -25.714 -19.229 9.289 1.00 0.23 H new ATOM 0 HG2 ARG A 44 -27.759 -17.970 8.711 1.00 25.34 H new ATOM 0 HG3 ARG A 44 -28.541 -18.533 10.175 1.00 25.34 H new ATOM 0 HD2 ARG A 44 -26.657 -17.452 11.501 1.00 30.41 H new ATOM 0 HD3 ARG A 44 -26.071 -16.762 10.000 1.00 30.41 H new ATOM 0 HE ARG A 44 -28.897 -16.212 10.740 1.00 65.32 H new ATOM 0 HH11 ARG A 44 -25.562 -15.091 10.410 1.00 33.33 H new ATOM 0 HH12 ARG A 44 -25.995 -13.387 10.581 1.00 33.33 H new ATOM 0 HH21 ARG A 44 -29.441 -14.031 11.001 1.00 23.54 H new ATOM 0 HH22 ARG A 44 -28.189 -12.788 10.915 1.00 23.54 H new ATOM 678 N SER A 45 -28.342 -21.039 6.921 1.00 20.53 N ATOM 679 CA SER A 45 -28.438 -21.149 5.472 1.00 5.15 C ATOM 680 C SER A 45 -28.219 -19.813 4.781 1.00 72.32 C ATOM 681 O SER A 45 -28.981 -18.857 4.967 1.00 4.10 O ATOM 682 CB SER A 45 -29.802 -21.732 5.090 1.00 43.33 C ATOM 683 OG SER A 45 -30.054 -22.931 5.806 1.00 24.12 O ATOM 0 H SER A 45 -29.166 -21.381 7.415 1.00 20.53 H new ATOM 0 HA SER A 45 -27.646 -21.817 5.133 1.00 5.15 H new ATOM 0 HB2 SER A 45 -30.586 -21.005 5.302 1.00 43.33 H new ATOM 0 HB3 SER A 45 -29.831 -21.930 4.018 1.00 43.33 H new ATOM 0 HG SER A 45 -30.930 -23.287 5.550 1.00 24.12 H new ATOM 689 N LEU A 46 -27.153 -19.763 3.997 1.00 30.11 N ATOM 690 CA LEU A 46 -26.840 -18.607 3.188 1.00 41.30 C ATOM 691 C LEU A 46 -27.784 -18.537 1.985 1.00 52.25 C ATOM 692 O LEU A 46 -28.099 -19.567 1.382 1.00 65.25 O ATOM 693 CB LEU A 46 -25.386 -18.677 2.708 1.00 31.30 C ATOM 694 CG LEU A 46 -24.320 -18.303 3.752 1.00 40.51 C ATOM 695 CD1 LEU A 46 -22.926 -18.616 3.228 1.00 14.34 C ATOM 696 CD2 LEU A 46 -24.420 -16.826 4.120 1.00 11.43 C ATOM 0 H LEU A 46 -26.483 -20.527 3.907 1.00 30.11 H new ATOM 0 HA LEU A 46 -26.969 -17.710 3.793 1.00 41.30 H new ATOM 0 HB2 LEU A 46 -25.186 -19.690 2.359 1.00 31.30 H new ATOM 0 HB3 LEU A 46 -25.274 -18.016 1.849 1.00 31.30 H new ATOM 0 HG LEU A 46 -24.500 -18.898 4.647 1.00 40.51 H new ATOM 0 HD11 LEU A 46 -22.185 -18.345 3.980 1.00 14.34 H new ATOM 0 HD12 LEU A 46 -22.850 -19.681 3.011 1.00 14.34 H new ATOM 0 HD13 LEU A 46 -22.743 -18.046 2.317 1.00 14.34 H new ATOM 0 HD21 LEU A 46 -23.657 -16.583 4.860 1.00 11.43 H new ATOM 0 HD22 LEU A 46 -24.268 -16.218 3.228 1.00 11.43 H new ATOM 0 HD23 LEU A 46 -25.407 -16.621 4.535 1.00 11.43 H new ATOM 708 N PRO A 47 -28.251 -17.330 1.626 1.00 40.22 N ATOM 709 CA PRO A 47 -29.123 -17.134 0.468 1.00 35.22 C ATOM 710 C PRO A 47 -28.342 -17.075 -0.851 1.00 3.22 C ATOM 711 O PRO A 47 -27.119 -16.828 -0.869 1.00 43.43 O ATOM 712 CB PRO A 47 -29.797 -15.793 0.773 1.00 55.23 C ATOM 713 CG PRO A 47 -28.786 -15.033 1.568 1.00 33.22 C ATOM 714 CD PRO A 47 -27.977 -16.060 2.331 1.00 72.34 C ATOM 0 HA PRO A 47 -29.825 -17.957 0.330 1.00 35.22 H new ATOM 0 HB2 PRO A 47 -30.059 -15.264 -0.143 1.00 55.23 H new ATOM 0 HB3 PRO A 47 -30.720 -15.933 1.336 1.00 55.23 H new ATOM 0 HG2 PRO A 47 -28.144 -14.441 0.915 1.00 33.22 H new ATOM 0 HG3 PRO A 47 -29.273 -14.338 2.251 1.00 33.22 H new ATOM 0 HD2 PRO A 47 -26.914 -15.819 2.320 1.00 72.34 H new ATOM 0 HD3 PRO A 47 -28.281 -16.111 3.376 1.00 72.34 H new ATOM 722 N ALA A 48 -29.057 -17.305 -1.954 1.00 24.10 N ATOM 723 CA ALA A 48 -28.466 -17.281 -3.286 1.00 45.31 C ATOM 724 C ALA A 48 -27.639 -16.016 -3.481 1.00 10.30 C ATOM 725 O ALA A 48 -28.107 -14.907 -3.207 1.00 50.42 O ATOM 726 CB ALA A 48 -29.548 -17.383 -4.353 1.00 71.43 C ATOM 0 H ALA A 48 -30.056 -17.512 -1.946 1.00 24.10 H new ATOM 0 HA ALA A 48 -27.805 -18.142 -3.384 1.00 45.31 H new ATOM 0 HB1 ALA A 48 -29.088 -17.363 -5.341 1.00 71.43 H new ATOM 0 HB2 ALA A 48 -30.097 -18.316 -4.227 1.00 71.43 H new ATOM 0 HB3 ALA A 48 -30.235 -16.542 -4.256 1.00 71.43 H new ATOM 732 N GLY A 49 -26.411 -16.195 -3.945 1.00 61.20 N ATOM 733 CA GLY A 49 -25.488 -15.088 -4.080 1.00 60.31 C ATOM 734 C GLY A 49 -24.294 -15.250 -3.161 1.00 71.01 C ATOM 735 O GLY A 49 -23.182 -14.849 -3.509 1.00 13.20 O ATOM 0 H GLY A 49 -26.035 -17.098 -4.233 1.00 61.20 H new ATOM 0 HA2 GLY A 49 -25.147 -15.020 -5.113 1.00 60.31 H new ATOM 0 HA3 GLY A 49 -26.001 -14.154 -3.851 1.00 60.31 H new ATOM 739 N TRP A 50 -24.519 -15.851 -1.991 1.00 52.24 N ATOM 740 CA TRP A 50 -23.437 -16.105 -1.038 1.00 31.12 C ATOM 741 C TRP A 50 -22.783 -17.458 -1.318 1.00 32.34 C ATOM 742 O TRP A 50 -23.444 -18.388 -1.788 1.00 34.24 O ATOM 743 CB TRP A 50 -23.966 -16.061 0.402 1.00 51.44 C ATOM 744 CG TRP A 50 -24.471 -14.708 0.817 1.00 52.31 C ATOM 745 CD1 TRP A 50 -25.584 -14.069 0.352 1.00 43.21 C ATOM 746 CD2 TRP A 50 -23.883 -13.832 1.788 1.00 52.50 C ATOM 747 NE1 TRP A 50 -25.721 -12.851 0.968 1.00 1.04 N ATOM 748 CE2 TRP A 50 -24.693 -12.682 1.856 1.00 0.44 C ATOM 749 CE3 TRP A 50 -22.754 -13.911 2.608 1.00 71.24 C ATOM 750 CZ2 TRP A 50 -24.407 -11.618 2.708 1.00 41.50 C ATOM 751 CZ3 TRP A 50 -22.471 -12.855 3.455 1.00 43.03 C ATOM 752 CH2 TRP A 50 -23.296 -11.722 3.500 1.00 53.43 C ATOM 0 H TRP A 50 -25.437 -16.170 -1.681 1.00 52.24 H new ATOM 0 HA TRP A 50 -22.687 -15.324 -1.157 1.00 31.12 H new ATOM 0 HB2 TRP A 50 -24.772 -16.788 0.506 1.00 51.44 H new ATOM 0 HB3 TRP A 50 -23.171 -16.367 1.082 1.00 51.44 H new ATOM 0 HD1 TRP A 50 -26.259 -14.465 -0.393 1.00 43.21 H new ATOM 0 HE1 TRP A 50 -26.468 -12.179 0.793 1.00 1.04 H new ATOM 0 HE3 TRP A 50 -22.114 -14.781 2.581 1.00 71.24 H new ATOM 0 HZ2 TRP A 50 -25.039 -10.743 2.742 1.00 41.50 H new ATOM 0 HZ3 TRP A 50 -21.600 -12.904 4.092 1.00 43.03 H new ATOM 0 HH2 TRP A 50 -23.049 -10.915 4.174 1.00 53.43 H new ATOM 763 N GLU A 51 -21.485 -17.561 -1.046 1.00 31.52 N ATOM 764 CA GLU A 51 -20.740 -18.797 -1.270 1.00 65.54 C ATOM 765 C GLU A 51 -19.883 -19.128 -0.047 1.00 44.41 C ATOM 766 O GLU A 51 -19.424 -18.213 0.667 1.00 23.22 O ATOM 767 CB GLU A 51 -19.855 -18.665 -2.517 1.00 21.21 C ATOM 768 CG GLU A 51 -18.727 -17.655 -2.348 1.00 31.04 C ATOM 769 CD GLU A 51 -18.050 -17.279 -3.657 1.00 61.44 C ATOM 770 OE1 GLU A 51 -17.100 -17.979 -4.071 1.00 2.31 O ATOM 771 OE2 GLU A 51 -18.453 -16.270 -4.273 1.00 74.23 O ATOM 0 H GLU A 51 -20.924 -16.798 -0.668 1.00 31.52 H new ATOM 0 HA GLU A 51 -21.450 -19.608 -1.429 1.00 65.54 H new ATOM 0 HB2 GLU A 51 -19.429 -19.639 -2.757 1.00 21.21 H new ATOM 0 HB3 GLU A 51 -20.474 -18.370 -3.364 1.00 21.21 H new ATOM 0 HG2 GLU A 51 -19.124 -16.754 -1.881 1.00 31.04 H new ATOM 0 HG3 GLU A 51 -17.981 -18.065 -1.667 1.00 31.04 H new ATOM 778 N THR A 52 -19.678 -20.433 0.172 1.00 32.54 N ATOM 779 CA THR A 52 -18.921 -20.956 1.314 1.00 63.35 C ATOM 780 C THR A 52 -17.600 -21.587 0.857 1.00 21.15 C ATOM 781 O THR A 52 -17.510 -22.145 -0.242 1.00 10.23 O ATOM 782 CB THR A 52 -19.743 -22.019 2.087 1.00 43.32 C ATOM 783 OG1 THR A 52 -20.222 -23.026 1.182 1.00 14.24 O ATOM 784 CG2 THR A 52 -20.928 -21.392 2.811 1.00 41.04 C ATOM 0 H THR A 52 -20.037 -21.162 -0.445 1.00 32.54 H new ATOM 0 HA THR A 52 -18.710 -20.113 1.972 1.00 63.35 H new ATOM 0 HB THR A 52 -19.083 -22.469 2.829 1.00 43.32 H new ATOM 0 HG1 THR A 52 -20.739 -23.694 1.679 1.00 14.24 H new ATOM 0 HG21 THR A 52 -21.481 -22.167 3.342 1.00 41.04 H new ATOM 0 HG22 THR A 52 -20.568 -20.650 3.524 1.00 41.04 H new ATOM 0 HG23 THR A 52 -21.584 -20.910 2.086 1.00 41.04 H new ATOM 792 N VAL A 53 -16.583 -21.500 1.713 1.00 23.41 N ATOM 793 CA VAL A 53 -15.222 -21.954 1.405 1.00 22.34 C ATOM 794 C VAL A 53 -14.487 -22.321 2.704 1.00 44.25 C ATOM 795 O VAL A 53 -14.839 -21.834 3.788 1.00 74.21 O ATOM 796 CB VAL A 53 -14.375 -20.849 0.684 1.00 51.30 C ATOM 797 CG1 VAL A 53 -13.066 -21.426 0.144 1.00 62.24 C ATOM 798 CG2 VAL A 53 -15.156 -20.145 -0.429 1.00 31.43 C ATOM 0 H VAL A 53 -16.679 -21.109 2.650 1.00 23.41 H new ATOM 0 HA VAL A 53 -15.323 -22.815 0.744 1.00 22.34 H new ATOM 0 HB VAL A 53 -14.140 -20.095 1.435 1.00 51.30 H new ATOM 0 HG11 VAL A 53 -12.498 -20.638 -0.351 1.00 62.24 H new ATOM 0 HG12 VAL A 53 -12.480 -21.832 0.968 1.00 62.24 H new ATOM 0 HG13 VAL A 53 -13.285 -22.219 -0.571 1.00 62.24 H new ATOM 0 HG21 VAL A 53 -14.524 -19.390 -0.895 1.00 31.43 H new ATOM 0 HG22 VAL A 53 -15.461 -20.876 -1.178 1.00 31.43 H new ATOM 0 HG23 VAL A 53 -16.040 -19.668 -0.007 1.00 31.43 H new ATOM 808 N GLY A 54 -13.472 -23.178 2.587 1.00 3.04 N ATOM 809 CA GLY A 54 -12.568 -23.437 3.695 1.00 22.23 C ATOM 810 C GLY A 54 -12.971 -24.628 4.536 1.00 33.01 C ATOM 811 O GLY A 54 -13.695 -25.508 4.076 1.00 72.20 O ATOM 0 H GLY A 54 -13.260 -23.700 1.737 1.00 3.04 H new ATOM 0 HA2 GLY A 54 -11.564 -23.601 3.304 1.00 22.23 H new ATOM 0 HA3 GLY A 54 -12.522 -22.552 4.330 1.00 22.23 H new ATOM 815 N GLU A 55 -12.475 -24.648 5.767 1.00 4.43 N ATOM 816 CA GLU A 55 -12.799 -25.686 6.741 1.00 31.03 C ATOM 817 C GLU A 55 -13.790 -25.132 7.759 1.00 24.14 C ATOM 818 O GLU A 55 -13.588 -24.026 8.270 1.00 23.13 O ATOM 819 CB GLU A 55 -11.522 -26.154 7.463 1.00 24.22 C ATOM 820 CG GLU A 55 -11.778 -27.149 8.592 1.00 31.31 C ATOM 821 CD GLU A 55 -10.503 -27.600 9.290 1.00 15.13 C ATOM 822 OE1 GLU A 55 -9.834 -28.522 8.779 1.00 54.04 O ATOM 823 OE2 GLU A 55 -10.168 -27.042 10.358 1.00 72.41 O ATOM 0 H GLU A 55 -11.832 -23.940 6.121 1.00 4.43 H new ATOM 0 HA GLU A 55 -13.242 -26.537 6.223 1.00 31.03 H new ATOM 0 HB2 GLU A 55 -10.852 -26.611 6.735 1.00 24.22 H new ATOM 0 HB3 GLU A 55 -11.007 -25.284 7.869 1.00 24.22 H new ATOM 0 HG2 GLU A 55 -12.445 -26.695 9.325 1.00 31.31 H new ATOM 0 HG3 GLU A 55 -12.293 -28.021 8.190 1.00 31.31 H new ATOM 830 N PRO A 56 -14.888 -25.859 8.054 1.00 15.13 N ATOM 831 CA PRO A 56 -15.831 -25.437 9.085 1.00 1.52 C ATOM 832 C PRO A 56 -15.221 -25.565 10.479 1.00 72.40 C ATOM 833 O PRO A 56 -15.010 -26.668 10.989 1.00 53.12 O ATOM 834 CB PRO A 56 -17.023 -26.376 8.900 1.00 31.21 C ATOM 835 CG PRO A 56 -16.445 -27.601 8.276 1.00 3.01 C ATOM 836 CD PRO A 56 -15.308 -27.125 7.406 1.00 64.45 C ATOM 0 HA PRO A 56 -16.113 -24.388 8.994 1.00 1.52 H new ATOM 0 HB2 PRO A 56 -17.499 -26.604 9.853 1.00 31.21 H new ATOM 0 HB3 PRO A 56 -17.785 -25.928 8.262 1.00 31.21 H new ATOM 0 HG2 PRO A 56 -16.090 -28.296 9.037 1.00 3.01 H new ATOM 0 HG3 PRO A 56 -17.194 -28.129 7.686 1.00 3.01 H new ATOM 0 HD2 PRO A 56 -14.495 -27.850 7.375 1.00 64.45 H new ATOM 0 HD3 PRO A 56 -15.630 -26.963 6.377 1.00 64.45 H new ATOM 844 N ALA A 57 -14.936 -24.422 11.076 1.00 33.55 N ATOM 845 CA ALA A 57 -14.248 -24.361 12.359 1.00 55.44 C ATOM 846 C ALA A 57 -14.525 -23.030 13.049 1.00 31.23 C ATOM 847 O ALA A 57 -15.092 -22.125 12.447 1.00 52.10 O ATOM 848 CB ALA A 57 -12.748 -24.568 12.167 1.00 52.45 C ATOM 0 H ALA A 57 -15.173 -23.509 10.688 1.00 33.55 H new ATOM 0 HA ALA A 57 -14.626 -25.161 12.996 1.00 55.44 H new ATOM 0 HB1 ALA A 57 -12.247 -24.520 13.134 1.00 52.45 H new ATOM 0 HB2 ALA A 57 -12.570 -25.544 11.715 1.00 52.45 H new ATOM 0 HB3 ALA A 57 -12.354 -23.789 11.515 1.00 52.45 H new ATOM 854 N THR A 58 -14.109 -22.915 14.305 1.00 61.34 N ATOM 855 CA THR A 58 -14.393 -21.731 15.116 1.00 41.54 C ATOM 856 C THR A 58 -13.850 -20.441 14.481 1.00 53.23 C ATOM 857 O THR A 58 -13.025 -20.477 13.559 1.00 72.34 O ATOM 858 CB THR A 58 -13.814 -21.882 16.545 1.00 32.00 C ATOM 859 OG1 THR A 58 -14.120 -20.720 17.327 1.00 12.31 O ATOM 860 CG2 THR A 58 -12.303 -22.089 16.512 1.00 4.31 C ATOM 0 H THR A 58 -13.569 -23.632 14.789 1.00 61.34 H new ATOM 0 HA THR A 58 -15.479 -21.651 15.169 1.00 41.54 H new ATOM 0 HB THR A 58 -14.273 -22.761 16.998 1.00 32.00 H new ATOM 0 HG1 THR A 58 -14.621 -20.986 18.126 1.00 12.31 H new ATOM 0 HG21 THR A 58 -11.927 -22.191 17.530 1.00 4.31 H new ATOM 0 HG22 THR A 58 -12.072 -22.992 15.947 1.00 4.31 H new ATOM 0 HG23 THR A 58 -11.829 -21.231 16.035 1.00 4.31 H new ATOM 868 N LYS A 59 -14.318 -19.309 15.012 1.00 20.01 N ATOM 869 CA LYS A 59 -13.942 -17.975 14.536 1.00 44.32 C ATOM 870 C LYS A 59 -12.421 -17.850 14.425 1.00 75.31 C ATOM 871 O LYS A 59 -11.885 -17.432 13.394 1.00 55.41 O ATOM 872 CB LYS A 59 -14.479 -16.916 15.516 1.00 22.43 C ATOM 873 CG LYS A 59 -14.464 -15.479 14.992 1.00 75.31 C ATOM 874 CD LYS A 59 -15.718 -15.159 14.175 1.00 22.03 C ATOM 875 CE LYS A 59 -15.851 -13.665 13.889 1.00 60.14 C ATOM 876 NZ LYS A 59 -17.205 -13.308 13.379 1.00 44.44 N ATOM 0 H LYS A 59 -14.975 -19.292 15.792 1.00 20.01 H new ATOM 0 HA LYS A 59 -14.374 -17.818 13.548 1.00 44.32 H new ATOM 0 HB2 LYS A 59 -15.503 -17.178 15.784 1.00 22.43 H new ATOM 0 HB3 LYS A 59 -13.889 -16.958 16.431 1.00 22.43 H new ATOM 0 HG2 LYS A 59 -14.390 -14.787 15.831 1.00 75.31 H new ATOM 0 HG3 LYS A 59 -13.579 -15.327 14.374 1.00 75.31 H new ATOM 0 HD2 LYS A 59 -15.686 -15.707 13.233 1.00 22.03 H new ATOM 0 HD3 LYS A 59 -16.600 -15.504 14.715 1.00 22.03 H new ATOM 0 HE2 LYS A 59 -15.648 -13.103 14.801 1.00 60.14 H new ATOM 0 HE3 LYS A 59 -15.099 -13.368 13.158 1.00 60.14 H new ATOM 0 HZ1 LYS A 59 -17.249 -12.285 13.199 1.00 44.44 H new ATOM 0 HZ2 LYS A 59 -17.390 -13.824 12.495 1.00 44.44 H new ATOM 0 HZ3 LYS A 59 -17.922 -13.566 14.087 1.00 44.44 H new ATOM 890 N GLN A 60 -11.743 -18.238 15.502 1.00 12.52 N ATOM 891 CA GLN A 60 -10.286 -18.164 15.581 1.00 60.11 C ATOM 892 C GLN A 60 -9.626 -18.895 14.407 1.00 73.42 C ATOM 893 O GLN A 60 -8.679 -18.395 13.806 1.00 12.21 O ATOM 894 CB GLN A 60 -9.805 -18.763 16.911 1.00 71.20 C ATOM 895 CG GLN A 60 -8.291 -18.753 17.091 1.00 21.32 C ATOM 896 CD GLN A 60 -7.863 -19.417 18.387 1.00 4.32 C ATOM 897 OE1 GLN A 60 -7.746 -18.768 19.427 1.00 72.30 O ATOM 898 NE2 GLN A 60 -7.641 -20.722 18.340 1.00 42.31 N ATOM 0 H GLN A 60 -12.186 -18.611 16.342 1.00 12.52 H new ATOM 0 HA GLN A 60 -9.996 -17.115 15.529 1.00 60.11 H new ATOM 0 HB2 GLN A 60 -10.261 -18.209 17.732 1.00 71.20 H new ATOM 0 HB3 GLN A 60 -10.161 -19.791 16.983 1.00 71.20 H new ATOM 0 HG2 GLN A 60 -7.824 -19.266 16.250 1.00 21.32 H new ATOM 0 HG3 GLN A 60 -7.932 -17.724 17.076 1.00 21.32 H new ATOM 0 HE21 GLN A 60 -7.748 -21.226 17.460 1.00 42.31 H new ATOM 0 HE22 GLN A 60 -7.363 -21.223 19.184 1.00 42.31 H new ATOM 907 N GLN A 61 -10.148 -20.073 14.080 1.00 11.51 N ATOM 908 CA GLN A 61 -9.581 -20.900 13.014 1.00 25.23 C ATOM 909 C GLN A 61 -9.829 -20.266 11.648 1.00 25.12 C ATOM 910 O GLN A 61 -8.908 -20.131 10.838 1.00 72.45 O ATOM 911 CB GLN A 61 -10.185 -22.313 13.053 1.00 32.13 C ATOM 912 CG GLN A 61 -9.681 -23.180 14.202 1.00 4.10 C ATOM 913 CD GLN A 61 -8.217 -23.548 14.052 1.00 71.32 C ATOM 914 OE1 GLN A 61 -7.330 -22.850 14.546 1.00 3.32 O ATOM 915 NE2 GLN A 61 -7.956 -24.640 13.354 1.00 15.31 N ATOM 0 H GLN A 61 -10.964 -20.479 14.537 1.00 11.51 H new ATOM 0 HA GLN A 61 -8.505 -20.970 13.175 1.00 25.23 H new ATOM 0 HB2 GLN A 61 -11.269 -22.230 13.125 1.00 32.13 H new ATOM 0 HB3 GLN A 61 -9.965 -22.815 12.111 1.00 32.13 H new ATOM 0 HG2 GLN A 61 -9.825 -22.650 15.143 1.00 4.10 H new ATOM 0 HG3 GLN A 61 -10.278 -24.091 14.255 1.00 4.10 H new ATOM 0 HE21 GLN A 61 -8.721 -25.190 12.962 1.00 15.31 H new ATOM 0 HE22 GLN A 61 -6.990 -24.933 13.207 1.00 15.31 H new ATOM 924 N CYS A 62 -11.075 -19.864 11.407 1.00 12.43 N ATOM 925 CA CYS A 62 -11.466 -19.347 10.104 1.00 63.15 C ATOM 926 C CYS A 62 -10.706 -18.063 9.758 1.00 45.14 C ATOM 927 O CYS A 62 -10.243 -17.905 8.624 1.00 24.33 O ATOM 928 CB CYS A 62 -12.985 -19.140 10.045 1.00 43.44 C ATOM 929 SG CYS A 62 -13.666 -18.183 11.411 1.00 5.43 S ATOM 0 H CYS A 62 -11.827 -19.887 12.096 1.00 12.43 H new ATOM 0 HA CYS A 62 -11.197 -20.086 9.349 1.00 63.15 H new ATOM 0 HB2 CYS A 62 -13.234 -18.640 9.109 1.00 43.44 H new ATOM 0 HB3 CYS A 62 -13.471 -20.116 10.025 1.00 43.44 H new ATOM 0 HG CYS A 62 -12.696 -17.673 12.110 1.00 5.43 H new ATOM 935 N LEU A 63 -10.550 -17.153 10.729 1.00 32.10 N ATOM 936 CA LEU A 63 -9.782 -15.927 10.484 1.00 54.21 C ATOM 937 C LEU A 63 -8.302 -16.264 10.288 1.00 45.12 C ATOM 938 O LEU A 63 -7.644 -15.718 9.400 1.00 0.30 O ATOM 939 CB LEU A 63 -9.984 -14.878 11.604 1.00 51.43 C ATOM 940 CG LEU A 63 -9.450 -15.237 13.010 1.00 12.23 C ATOM 941 CD1 LEU A 63 -7.969 -14.868 13.161 1.00 32.23 C ATOM 942 CD2 LEU A 63 -10.284 -14.557 14.097 1.00 43.32 C ATOM 0 H LEU A 63 -10.935 -17.239 11.669 1.00 32.10 H new ATOM 0 HA LEU A 63 -10.158 -15.473 9.567 1.00 54.21 H new ATOM 0 HB2 LEU A 63 -9.508 -13.950 11.288 1.00 51.43 H new ATOM 0 HB3 LEU A 63 -11.052 -14.675 11.689 1.00 51.43 H new ATOM 0 HG LEU A 63 -9.538 -16.317 13.128 1.00 12.23 H new ATOM 0 HD11 LEU A 63 -7.628 -15.134 14.161 1.00 32.23 H new ATOM 0 HD12 LEU A 63 -7.381 -15.411 12.421 1.00 32.23 H new ATOM 0 HD13 LEU A 63 -7.844 -13.796 13.009 1.00 32.23 H new ATOM 0 HD21 LEU A 63 -9.890 -14.824 15.078 1.00 43.32 H new ATOM 0 HD22 LEU A 63 -10.237 -13.476 13.969 1.00 43.32 H new ATOM 0 HD23 LEU A 63 -11.320 -14.886 14.020 1.00 43.32 H new ATOM 954 N GLN A 64 -7.806 -17.194 11.104 1.00 23.35 N ATOM 955 CA GLN A 64 -6.422 -17.655 11.016 1.00 61.05 C ATOM 956 C GLN A 64 -6.149 -18.262 9.645 1.00 42.03 C ATOM 957 O GLN A 64 -5.034 -18.196 9.126 1.00 43.03 O ATOM 958 CB GLN A 64 -6.148 -18.689 12.117 1.00 61.12 C ATOM 959 CG GLN A 64 -4.738 -19.277 12.097 1.00 33.54 C ATOM 960 CD GLN A 64 -4.524 -20.350 13.158 1.00 74.01 C ATOM 961 OE1 GLN A 64 -3.420 -20.511 13.676 1.00 25.14 O ATOM 962 NE2 GLN A 64 -5.565 -21.114 13.465 1.00 60.21 N ATOM 0 H GLN A 64 -8.349 -17.646 11.840 1.00 23.35 H new ATOM 0 HA GLN A 64 -5.757 -16.802 11.154 1.00 61.05 H new ATOM 0 HB2 GLN A 64 -6.320 -18.222 13.087 1.00 61.12 H new ATOM 0 HB3 GLN A 64 -6.868 -19.502 12.022 1.00 61.12 H new ATOM 0 HG2 GLN A 64 -4.542 -19.703 11.113 1.00 33.54 H new ATOM 0 HG3 GLN A 64 -4.014 -18.476 12.247 1.00 33.54 H new ATOM 0 HE21 GLN A 64 -6.466 -20.952 13.016 1.00 60.21 H new ATOM 0 HE22 GLN A 64 -5.464 -21.863 14.150 1.00 60.21 H new ATOM 971 N ARG A 65 -7.177 -18.858 9.063 1.00 40.34 N ATOM 972 CA ARG A 65 -7.048 -19.472 7.755 1.00 13.52 C ATOM 973 C ARG A 65 -6.971 -18.405 6.665 1.00 14.24 C ATOM 974 O ARG A 65 -6.034 -18.389 5.871 1.00 44.41 O ATOM 975 CB ARG A 65 -8.223 -20.422 7.482 1.00 2.22 C ATOM 976 CG ARG A 65 -8.131 -21.105 6.122 1.00 23.32 C ATOM 977 CD ARG A 65 -9.237 -22.128 5.897 1.00 54.45 C ATOM 978 NE ARG A 65 -8.991 -22.919 4.685 1.00 65.22 N ATOM 979 CZ ARG A 65 -9.328 -22.541 3.450 1.00 14.34 C ATOM 980 NH1 ARG A 65 -10.006 -21.414 3.250 1.00 74.43 N ATOM 981 NH2 ARG A 65 -9.001 -23.301 2.413 1.00 73.25 N ATOM 0 H ARG A 65 -8.107 -18.929 9.476 1.00 40.34 H new ATOM 0 HA ARG A 65 -6.124 -20.050 7.743 1.00 13.52 H new ATOM 0 HB2 ARG A 65 -8.258 -21.182 8.263 1.00 2.22 H new ATOM 0 HB3 ARG A 65 -9.157 -19.863 7.539 1.00 2.22 H new ATOM 0 HG2 ARG A 65 -8.177 -20.349 5.338 1.00 23.32 H new ATOM 0 HG3 ARG A 65 -7.163 -21.598 6.033 1.00 23.32 H new ATOM 0 HD2 ARG A 65 -9.304 -22.791 6.760 1.00 54.45 H new ATOM 0 HD3 ARG A 65 -10.196 -21.617 5.813 1.00 54.45 H new ATOM 0 HE ARG A 65 -8.530 -23.822 4.794 1.00 65.22 H new ATOM 0 HH11 ARG A 65 -10.272 -20.831 4.044 1.00 74.43 H new ATOM 0 HH12 ARG A 65 -10.259 -21.133 2.303 1.00 74.43 H new ATOM 0 HH21 ARG A 65 -8.493 -24.173 2.560 1.00 73.25 H new ATOM 0 HH22 ARG A 65 -9.258 -23.013 1.469 1.00 73.25 H new ATOM 995 N ILE A 66 -7.946 -17.501 6.652 1.00 5.32 N ATOM 996 CA ILE A 66 -8.065 -16.522 5.572 1.00 74.32 C ATOM 997 C ILE A 66 -6.899 -15.536 5.555 1.00 34.13 C ATOM 998 O ILE A 66 -6.480 -15.088 4.482 1.00 70.50 O ATOM 999 CB ILE A 66 -9.405 -15.749 5.631 1.00 74.43 C ATOM 1000 CG1 ILE A 66 -9.598 -15.051 6.989 1.00 1.20 C ATOM 1001 CG2 ILE A 66 -10.565 -16.695 5.348 1.00 14.24 C ATOM 1002 CD1 ILE A 66 -10.825 -14.156 7.046 1.00 42.21 C ATOM 0 H ILE A 66 -8.663 -17.424 7.373 1.00 5.32 H new ATOM 0 HA ILE A 66 -8.040 -17.097 4.646 1.00 74.32 H new ATOM 0 HB ILE A 66 -9.380 -14.974 4.865 1.00 74.43 H new ATOM 0 HG12 ILE A 66 -9.675 -15.808 7.769 1.00 1.20 H new ATOM 0 HG13 ILE A 66 -8.713 -14.454 7.210 1.00 1.20 H new ATOM 0 HG21 ILE A 66 -11.504 -16.143 5.392 1.00 14.24 H new ATOM 0 HG22 ILE A 66 -10.446 -17.130 4.356 1.00 14.24 H new ATOM 0 HG23 ILE A 66 -10.577 -17.490 6.094 1.00 14.24 H new ATOM 0 HD11 ILE A 66 -10.896 -13.698 8.033 1.00 42.21 H new ATOM 0 HD12 ILE A 66 -10.742 -13.376 6.289 1.00 42.21 H new ATOM 0 HD13 ILE A 66 -11.718 -14.751 6.857 1.00 42.21 H new ATOM 1014 N GLU A 67 -6.365 -15.212 6.729 1.00 53.30 N ATOM 1015 CA GLU A 67 -5.247 -14.277 6.824 1.00 71.01 C ATOM 1016 C GLU A 67 -4.021 -14.843 6.117 1.00 51.43 C ATOM 1017 O GLU A 67 -3.227 -14.098 5.550 1.00 55.34 O ATOM 1018 CB GLU A 67 -4.914 -13.948 8.286 1.00 61.10 C ATOM 1019 CG GLU A 67 -4.459 -15.145 9.111 1.00 14.42 C ATOM 1020 CD GLU A 67 -3.966 -14.758 10.497 1.00 33.42 C ATOM 1021 OE1 GLU A 67 -4.803 -14.562 11.404 1.00 24.22 O ATOM 1022 OE2 GLU A 67 -2.737 -14.641 10.682 1.00 43.23 O ATOM 0 H GLU A 67 -6.686 -15.581 7.624 1.00 53.30 H new ATOM 0 HA GLU A 67 -5.544 -13.351 6.332 1.00 71.01 H new ATOM 0 HB2 GLU A 67 -4.132 -13.189 8.306 1.00 61.10 H new ATOM 0 HB3 GLU A 67 -5.794 -13.511 8.757 1.00 61.10 H new ATOM 0 HG2 GLU A 67 -5.287 -15.848 9.209 1.00 14.42 H new ATOM 0 HG3 GLU A 67 -3.661 -15.664 8.579 1.00 14.42 H new ATOM 1029 N GLN A 68 -3.882 -16.167 6.156 1.00 2.11 N ATOM 1030 CA GLN A 68 -2.745 -16.847 5.534 1.00 35.25 C ATOM 1031 C GLN A 68 -3.023 -17.165 4.060 1.00 3.20 C ATOM 1032 O GLN A 68 -2.174 -17.731 3.365 1.00 2.44 O ATOM 1033 CB GLN A 68 -2.418 -18.139 6.302 1.00 75.11 C ATOM 1034 CG GLN A 68 -2.095 -17.906 7.777 1.00 72.43 C ATOM 1035 CD GLN A 68 -1.752 -19.187 8.528 1.00 64.25 C ATOM 1036 OE1 GLN A 68 -2.217 -20.278 8.182 1.00 23.20 O ATOM 1037 NE2 GLN A 68 -0.948 -19.059 9.575 1.00 13.54 N ATOM 0 H GLN A 68 -4.545 -16.793 6.613 1.00 2.11 H new ATOM 0 HA GLN A 68 -1.887 -16.176 5.577 1.00 35.25 H new ATOM 0 HB2 GLN A 68 -3.265 -18.821 6.227 1.00 75.11 H new ATOM 0 HB3 GLN A 68 -1.570 -18.631 5.826 1.00 75.11 H new ATOM 0 HG2 GLN A 68 -1.257 -17.213 7.853 1.00 72.43 H new ATOM 0 HG3 GLN A 68 -2.949 -17.429 8.258 1.00 72.43 H new ATOM 0 HE21 GLN A 68 -0.584 -18.141 9.829 1.00 13.54 H new ATOM 0 HE22 GLN A 68 -0.694 -19.879 10.126 1.00 13.54 H new ATOM 1046 N LEU A 69 -4.220 -16.823 3.588 1.00 70.13 N ATOM 1047 CA LEU A 69 -4.592 -17.091 2.198 1.00 22.31 C ATOM 1048 C LEU A 69 -4.546 -15.822 1.347 1.00 33.43 C ATOM 1049 O LEU A 69 -3.713 -15.682 0.456 1.00 63.24 O ATOM 1050 CB LEU A 69 -6.000 -17.703 2.122 1.00 23.42 C ATOM 1051 CG LEU A 69 -6.201 -19.027 2.878 1.00 43.12 C ATOM 1052 CD1 LEU A 69 -7.638 -19.512 2.730 1.00 35.21 C ATOM 1053 CD2 LEU A 69 -5.218 -20.089 2.391 1.00 42.22 C ATOM 0 H LEU A 69 -4.944 -16.364 4.141 1.00 70.13 H new ATOM 0 HA LEU A 69 -3.864 -17.800 1.802 1.00 22.31 H new ATOM 0 HB2 LEU A 69 -6.713 -16.975 2.509 1.00 23.42 H new ATOM 0 HB3 LEU A 69 -6.248 -17.865 1.073 1.00 23.42 H new ATOM 0 HG LEU A 69 -6.005 -18.849 3.935 1.00 43.12 H new ATOM 0 HD11 LEU A 69 -7.763 -20.450 3.271 1.00 35.21 H new ATOM 0 HD12 LEU A 69 -8.318 -18.764 3.138 1.00 35.21 H new ATOM 0 HD13 LEU A 69 -7.862 -19.669 1.675 1.00 35.21 H new ATOM 0 HD21 LEU A 69 -5.381 -21.016 2.942 1.00 42.22 H new ATOM 0 HD22 LEU A 69 -5.373 -20.267 1.327 1.00 42.22 H new ATOM 0 HD23 LEU A 69 -4.198 -19.743 2.557 1.00 42.22 H new ATOM 1065 N TRP A 70 -5.451 -14.896 1.654 1.00 4.00 N ATOM 1066 CA TRP A 70 -5.633 -13.681 0.862 1.00 33.32 C ATOM 1067 C TRP A 70 -4.674 -12.584 1.309 1.00 14.11 C ATOM 1068 O TRP A 70 -3.910 -12.038 0.513 1.00 5.44 O ATOM 1069 CB TRP A 70 -7.093 -13.210 0.979 1.00 44.12 C ATOM 1070 CG TRP A 70 -7.401 -11.953 0.212 1.00 4.32 C ATOM 1071 CD1 TRP A 70 -7.409 -11.799 -1.145 1.00 43.22 C ATOM 1072 CD2 TRP A 70 -7.764 -10.679 0.762 1.00 25.42 C ATOM 1073 NE1 TRP A 70 -7.742 -10.507 -1.471 1.00 41.21 N ATOM 1074 CE2 TRP A 70 -7.965 -9.801 -0.319 1.00 11.33 C ATOM 1075 CE3 TRP A 70 -7.934 -10.195 2.063 1.00 42.41 C ATOM 1076 CZ2 TRP A 70 -8.328 -8.469 -0.142 1.00 23.42 C ATOM 1077 CZ3 TRP A 70 -8.296 -8.871 2.240 1.00 45.11 C ATOM 1078 CH2 TRP A 70 -8.490 -8.022 1.143 1.00 22.44 C ATOM 0 H TRP A 70 -6.077 -14.966 2.456 1.00 4.00 H new ATOM 0 HA TRP A 70 -5.409 -13.904 -0.181 1.00 33.32 H new ATOM 0 HB2 TRP A 70 -7.749 -14.006 0.627 1.00 44.12 H new ATOM 0 HB3 TRP A 70 -7.327 -13.046 2.031 1.00 44.12 H new ATOM 0 HD1 TRP A 70 -7.186 -12.579 -1.858 1.00 43.22 H new ATOM 0 HE1 TRP A 70 -7.812 -10.134 -2.418 1.00 41.21 H new ATOM 0 HE3 TRP A 70 -7.785 -10.843 2.914 1.00 42.41 H new ATOM 0 HZ2 TRP A 70 -8.476 -7.812 -0.986 1.00 23.42 H new ATOM 0 HZ3 TRP A 70 -8.431 -8.486 3.240 1.00 45.11 H new ATOM 0 HH2 TRP A 70 -8.773 -6.994 1.314 1.00 22.44 H new ATOM 1089 N THR A 71 -4.729 -12.277 2.595 1.00 54.12 N ATOM 1090 CA THR A 71 -3.968 -11.185 3.180 1.00 14.01 C ATOM 1091 C THR A 71 -2.507 -11.585 3.410 1.00 15.51 C ATOM 1092 O THR A 71 -1.666 -10.737 3.714 1.00 20.13 O ATOM 1093 CB THR A 71 -4.607 -10.733 4.513 1.00 13.44 C ATOM 1094 OG1 THR A 71 -6.025 -10.968 4.475 1.00 21.02 O ATOM 1095 CG2 THR A 71 -4.354 -9.249 4.763 1.00 55.35 C ATOM 0 H THR A 71 -5.307 -12.782 3.267 1.00 54.12 H new ATOM 0 HA THR A 71 -3.987 -10.354 2.475 1.00 14.01 H new ATOM 0 HB THR A 71 -4.154 -11.308 5.320 1.00 13.44 H new ATOM 0 HG1 THR A 71 -6.411 -10.515 3.697 1.00 21.02 H new ATOM 0 HG21 THR A 71 -4.814 -8.956 5.707 1.00 55.35 H new ATOM 0 HG22 THR A 71 -3.281 -9.066 4.810 1.00 55.35 H new ATOM 0 HG23 THR A 71 -4.787 -8.664 3.951 1.00 55.35 H new ATOM 1103 N ASP A 72 -2.233 -12.889 3.265 1.00 23.54 N ATOM 1104 CA ASP A 72 -0.941 -13.496 3.621 1.00 73.31 C ATOM 1105 C ASP A 72 0.255 -12.641 3.204 1.00 64.32 C ATOM 1106 O ASP A 72 1.287 -12.646 3.879 1.00 42.51 O ATOM 1107 CB ASP A 72 -0.802 -14.868 2.965 1.00 14.44 C ATOM 1108 CG ASP A 72 0.486 -15.573 3.359 1.00 72.24 C ATOM 1109 OD1 ASP A 72 0.582 -16.053 4.509 1.00 35.04 O ATOM 1110 OD2 ASP A 72 1.415 -15.649 2.523 1.00 33.45 O ATOM 0 H ASP A 72 -2.907 -13.559 2.894 1.00 23.54 H new ATOM 0 HA ASP A 72 -0.936 -13.581 4.708 1.00 73.31 H new ATOM 0 HB2 ASP A 72 -1.653 -15.489 3.245 1.00 14.44 H new ATOM 0 HB3 ASP A 72 -0.833 -14.754 1.881 1.00 14.44 H new ATOM 1115 N MET A 73 0.119 -11.919 2.091 1.00 3.33 N ATOM 1116 CA MET A 73 1.194 -11.061 1.600 1.00 42.30 C ATOM 1117 C MET A 73 1.440 -9.908 2.579 1.00 21.21 C ATOM 1118 O MET A 73 0.995 -8.773 2.368 1.00 61.04 O ATOM 1119 CB MET A 73 0.879 -10.521 0.198 1.00 75.02 C ATOM 1120 CG MET A 73 2.025 -9.723 -0.424 1.00 60.21 C ATOM 1121 SD MET A 73 1.624 -9.087 -2.065 1.00 34.12 S ATOM 1122 CE MET A 73 0.226 -8.032 -1.687 1.00 71.41 C ATOM 0 H MET A 73 -0.723 -11.912 1.515 1.00 3.33 H new ATOM 0 HA MET A 73 2.101 -11.661 1.528 1.00 42.30 H new ATOM 0 HB2 MET A 73 0.632 -11.357 -0.457 1.00 75.02 H new ATOM 0 HB3 MET A 73 -0.006 -9.887 0.253 1.00 75.02 H new ATOM 0 HG2 MET A 73 2.279 -8.890 0.231 1.00 60.21 H new ATOM 0 HG3 MET A 73 2.909 -10.357 -0.491 1.00 60.21 H new ATOM 0 HE1 MET A 73 0.098 -7.299 -2.483 1.00 71.41 H new ATOM 0 HE2 MET A 73 -0.676 -8.639 -1.604 1.00 71.41 H new ATOM 0 HE3 MET A 73 0.404 -7.516 -0.744 1.00 71.41 H new ATOM 1132 N VAL A 74 2.130 -10.230 3.661 1.00 33.41 N ATOM 1133 CA VAL A 74 2.433 -9.279 4.718 1.00 45.22 C ATOM 1134 C VAL A 74 3.701 -8.489 4.380 1.00 1.21 C ATOM 1135 O VAL A 74 4.706 -9.074 3.967 1.00 54.40 O ATOM 1136 CB VAL A 74 2.584 -10.008 6.085 1.00 10.10 C ATOM 1137 CG1 VAL A 74 3.535 -11.201 5.976 1.00 23.42 C ATOM 1138 CG2 VAL A 74 3.041 -9.048 7.183 1.00 71.12 C ATOM 0 H VAL A 74 2.498 -11.166 3.832 1.00 33.41 H new ATOM 0 HA VAL A 74 1.603 -8.576 4.799 1.00 45.22 H new ATOM 0 HB VAL A 74 1.600 -10.386 6.361 1.00 10.10 H new ATOM 0 HG11 VAL A 74 3.619 -11.689 6.947 1.00 23.42 H new ATOM 0 HG12 VAL A 74 3.146 -11.911 5.246 1.00 23.42 H new ATOM 0 HG13 VAL A 74 4.518 -10.855 5.657 1.00 23.42 H new ATOM 0 HG21 VAL A 74 3.136 -9.590 8.124 1.00 71.12 H new ATOM 0 HG22 VAL A 74 4.006 -8.619 6.913 1.00 71.12 H new ATOM 0 HG23 VAL A 74 2.308 -8.250 7.297 1.00 71.12 H new ATOM 1148 N PRO A 75 3.660 -7.144 4.518 1.00 55.42 N ATOM 1149 CA PRO A 75 4.810 -6.275 4.221 1.00 60.35 C ATOM 1150 C PRO A 75 5.960 -6.463 5.216 1.00 72.13 C ATOM 1151 O PRO A 75 6.015 -7.453 5.948 1.00 1.32 O ATOM 1152 CB PRO A 75 4.227 -4.847 4.330 1.00 71.04 C ATOM 1153 CG PRO A 75 2.744 -5.017 4.336 1.00 45.31 C ATOM 1154 CD PRO A 75 2.490 -6.361 4.956 1.00 22.00 C ATOM 0 HA PRO A 75 5.242 -6.498 3.245 1.00 60.35 H new ATOM 0 HB2 PRO A 75 4.568 -4.353 5.240 1.00 71.04 H new ATOM 0 HB3 PRO A 75 4.547 -4.228 3.492 1.00 71.04 H new ATOM 0 HG2 PRO A 75 2.262 -4.225 4.908 1.00 45.31 H new ATOM 0 HG3 PRO A 75 2.341 -4.970 3.324 1.00 45.31 H new ATOM 0 HD2 PRO A 75 2.426 -6.301 6.042 1.00 22.00 H new ATOM 0 HD3 PRO A 75 1.555 -6.799 4.606 1.00 22.00 H new ATOM 1162 N ALA A 76 6.864 -5.482 5.250 1.00 51.25 N ATOM 1163 CA ALA A 76 8.033 -5.513 6.132 1.00 24.45 C ATOM 1164 C ALA A 76 7.627 -5.713 7.590 1.00 43.13 C ATOM 1165 O ALA A 76 8.449 -6.087 8.425 1.00 43.44 O ATOM 1166 CB ALA A 76 8.831 -4.223 5.987 1.00 60.32 C ATOM 0 H ALA A 76 6.807 -4.646 4.669 1.00 51.25 H new ATOM 0 HA ALA A 76 8.653 -6.359 5.836 1.00 24.45 H new ATOM 0 HB1 ALA A 76 9.698 -4.255 6.647 1.00 60.32 H new ATOM 0 HB2 ALA A 76 9.164 -4.115 4.955 1.00 60.32 H new ATOM 0 HB3 ALA A 76 8.202 -3.374 6.256 1.00 60.32 H new ATOM 1172 N SER A 77 6.355 -5.459 7.879 1.00 71.53 N ATOM 1173 CA SER A 77 5.798 -5.622 9.217 1.00 24.45 C ATOM 1174 C SER A 77 6.125 -7.007 9.793 1.00 52.41 C ATOM 1175 O SER A 77 6.259 -7.164 11.008 1.00 1.13 O ATOM 1176 CB SER A 77 4.282 -5.412 9.164 1.00 43.23 C ATOM 1177 OG SER A 77 3.960 -4.209 8.478 1.00 75.44 O ATOM 0 H SER A 77 5.679 -5.133 7.189 1.00 71.53 H new ATOM 0 HA SER A 77 6.248 -4.878 9.874 1.00 24.45 H new ATOM 0 HB2 SER A 77 3.811 -6.258 8.663 1.00 43.23 H new ATOM 0 HB3 SER A 77 3.880 -5.377 10.177 1.00 43.23 H new ATOM 0 HG SER A 77 2.987 -4.096 8.455 1.00 75.44 H new ATOM 1183 N VAL A 78 6.270 -8.000 8.910 1.00 50.43 N ATOM 1184 CA VAL A 78 6.597 -9.364 9.327 1.00 1.34 C ATOM 1185 C VAL A 78 7.892 -9.389 10.144 1.00 72.15 C ATOM 1186 O VAL A 78 8.011 -10.138 11.112 1.00 61.33 O ATOM 1187 CB VAL A 78 6.724 -10.318 8.105 1.00 12.41 C ATOM 1188 CG1 VAL A 78 7.838 -9.863 7.161 1.00 13.13 C ATOM 1189 CG2 VAL A 78 6.953 -11.760 8.560 1.00 22.14 C ATOM 0 H VAL A 78 6.166 -7.883 7.902 1.00 50.43 H new ATOM 0 HA VAL A 78 5.777 -9.716 9.953 1.00 1.34 H new ATOM 0 HB VAL A 78 5.784 -10.280 7.555 1.00 12.41 H new ATOM 0 HG11 VAL A 78 7.902 -10.549 6.317 1.00 13.13 H new ATOM 0 HG12 VAL A 78 7.619 -8.859 6.797 1.00 13.13 H new ATOM 0 HG13 VAL A 78 8.788 -9.856 7.696 1.00 13.13 H new ATOM 0 HG21 VAL A 78 7.038 -12.408 7.687 1.00 22.14 H new ATOM 0 HG22 VAL A 78 7.871 -11.816 9.145 1.00 22.14 H new ATOM 0 HG23 VAL A 78 6.113 -12.086 9.173 1.00 22.14 H new ATOM 1199 N ARG A 79 8.841 -8.526 9.768 1.00 61.45 N ATOM 1200 CA ARG A 79 10.155 -8.467 10.415 1.00 14.22 C ATOM 1201 C ARG A 79 10.036 -8.266 11.926 1.00 51.30 C ATOM 1202 O ARG A 79 10.907 -8.691 12.685 1.00 43.03 O ATOM 1203 CB ARG A 79 10.999 -7.332 9.819 1.00 63.44 C ATOM 1204 CG ARG A 79 11.422 -7.557 8.369 1.00 63.40 C ATOM 1205 CD ARG A 79 12.234 -6.378 7.842 1.00 74.44 C ATOM 1206 NE ARG A 79 12.802 -6.639 6.516 1.00 53.13 N ATOM 1207 CZ ARG A 79 13.800 -5.932 5.978 1.00 42.11 C ATOM 1208 NH1 ARG A 79 14.297 -4.876 6.611 1.00 73.33 N ATOM 1209 NH2 ARG A 79 14.291 -6.269 4.793 1.00 64.44 N ATOM 0 H ARG A 79 8.721 -7.853 9.011 1.00 61.45 H new ATOM 0 HA ARG A 79 10.644 -9.424 10.232 1.00 14.22 H new ATOM 0 HB2 ARG A 79 10.432 -6.403 9.880 1.00 63.44 H new ATOM 0 HB3 ARG A 79 11.892 -7.200 10.429 1.00 63.44 H new ATOM 0 HG2 ARG A 79 12.013 -8.470 8.297 1.00 63.40 H new ATOM 0 HG3 ARG A 79 10.538 -7.700 7.748 1.00 63.40 H new ATOM 0 HD2 ARG A 79 11.598 -5.494 7.794 1.00 74.44 H new ATOM 0 HD3 ARG A 79 13.039 -6.153 8.541 1.00 74.44 H new ATOM 0 HE ARG A 79 12.411 -7.407 5.971 1.00 53.13 H new ATOM 0 HH11 ARG A 79 13.917 -4.598 7.516 1.00 73.33 H new ATOM 0 HH12 ARG A 79 15.059 -4.342 6.192 1.00 73.33 H new ATOM 0 HH21 ARG A 79 13.907 -7.069 4.291 1.00 64.44 H new ATOM 0 HH22 ARG A 79 15.053 -5.728 4.384 1.00 64.44 H new ATOM 1223 N GLU A 80 8.956 -7.619 12.355 1.00 45.44 N ATOM 1224 CA GLU A 80 8.742 -7.338 13.771 1.00 22.12 C ATOM 1225 C GLU A 80 8.488 -8.632 14.547 1.00 4.33 C ATOM 1226 O GLU A 80 8.984 -8.812 15.665 1.00 13.03 O ATOM 1227 CB GLU A 80 7.571 -6.357 13.948 1.00 62.53 C ATOM 1228 CG GLU A 80 7.288 -5.981 15.399 1.00 73.11 C ATOM 1229 CD GLU A 80 6.216 -4.911 15.535 1.00 33.40 C ATOM 1230 OE1 GLU A 80 6.564 -3.711 15.521 1.00 51.44 O ATOM 1231 OE2 GLU A 80 5.018 -5.264 15.653 1.00 33.42 O ATOM 0 H GLU A 80 8.215 -7.279 11.742 1.00 45.44 H new ATOM 0 HA GLU A 80 9.644 -6.876 14.173 1.00 22.12 H new ATOM 0 HB2 GLU A 80 7.783 -5.449 13.383 1.00 62.53 H new ATOM 0 HB3 GLU A 80 6.673 -6.798 13.516 1.00 62.53 H new ATOM 0 HG2 GLU A 80 6.977 -6.871 15.946 1.00 73.11 H new ATOM 0 HG3 GLU A 80 8.208 -5.627 15.863 1.00 73.11 H new ATOM 1238 N HIS A 81 7.731 -9.542 13.944 1.00 54.53 N ATOM 1239 CA HIS A 81 7.390 -10.806 14.593 1.00 0.23 C ATOM 1240 C HIS A 81 8.368 -11.900 14.180 1.00 2.25 C ATOM 1241 O HIS A 81 8.508 -12.916 14.866 1.00 34.22 O ATOM 1242 CB HIS A 81 5.960 -11.235 14.238 1.00 32.20 C ATOM 1243 CG HIS A 81 5.488 -12.418 15.028 1.00 2.42 C ATOM 1244 ND1 HIS A 81 5.421 -13.696 14.521 1.00 13.53 N ATOM 1245 CD2 HIS A 81 5.071 -12.507 16.314 1.00 0.35 C ATOM 1246 CE1 HIS A 81 4.987 -14.515 15.456 1.00 43.44 C ATOM 1247 NE2 HIS A 81 4.767 -13.821 16.555 1.00 2.53 N ATOM 0 H HIS A 81 7.341 -9.430 13.008 1.00 54.53 H new ATOM 0 HA HIS A 81 7.455 -10.656 15.671 1.00 0.23 H new ATOM 0 HB2 HIS A 81 5.283 -10.398 14.409 1.00 32.20 H new ATOM 0 HB3 HIS A 81 5.912 -11.472 13.175 1.00 32.20 H new ATOM 0 HD1 HIS A 81 5.669 -13.966 13.569 1.00 13.53 H new ATOM 0 HD2 HIS A 81 4.993 -11.693 17.019 1.00 0.35 H new ATOM 0 HE1 HIS A 81 4.836 -15.578 15.342 1.00 43.44 H new ATOM 1256 N LEU A 82 9.052 -11.679 13.062 1.00 52.02 N ATOM 1257 CA LEU A 82 9.948 -12.679 12.504 1.00 15.11 C ATOM 1258 C LEU A 82 11.247 -12.718 13.306 1.00 65.10 C ATOM 1259 O LEU A 82 12.243 -12.089 12.942 1.00 73.43 O ATOM 1260 CB LEU A 82 10.226 -12.394 11.009 1.00 12.10 C ATOM 1261 CG LEU A 82 10.638 -13.609 10.145 1.00 72.24 C ATOM 1262 CD1 LEU A 82 11.993 -14.174 10.570 1.00 41.43 C ATOM 1263 CD2 LEU A 82 9.558 -14.691 10.198 1.00 53.35 C ATOM 0 H LEU A 82 9.001 -10.813 12.525 1.00 52.02 H new ATOM 0 HA LEU A 82 9.470 -13.656 12.570 1.00 15.11 H new ATOM 0 HB2 LEU A 82 9.330 -11.952 10.573 1.00 12.10 H new ATOM 0 HB3 LEU A 82 11.015 -11.645 10.944 1.00 12.10 H new ATOM 0 HG LEU A 82 10.739 -13.265 9.116 1.00 72.24 H new ATOM 0 HD11 LEU A 82 12.246 -15.026 9.939 1.00 41.43 H new ATOM 0 HD12 LEU A 82 12.757 -13.404 10.464 1.00 41.43 H new ATOM 0 HD13 LEU A 82 11.943 -14.495 11.610 1.00 41.43 H new ATOM 0 HD21 LEU A 82 9.863 -15.539 9.585 1.00 53.35 H new ATOM 0 HD22 LEU A 82 9.421 -15.018 11.229 1.00 53.35 H new ATOM 0 HD23 LEU A 82 8.620 -14.287 9.818 1.00 53.35 H new ATOM 1275 N ASN A 83 11.200 -13.411 14.434 1.00 23.21 N ATOM 1276 CA ASN A 83 12.399 -13.720 15.204 1.00 34.30 C ATOM 1277 C ASN A 83 13.013 -14.994 14.644 1.00 64.54 C ATOM 1278 O ASN A 83 12.278 -15.920 14.298 1.00 24.35 O ATOM 1279 CB ASN A 83 12.047 -13.918 16.687 1.00 5.33 C ATOM 1280 CG ASN A 83 13.253 -14.289 17.538 1.00 13.22 C ATOM 1281 OD1 ASN A 83 14.371 -13.843 17.285 1.00 20.11 O ATOM 1282 ND2 ASN A 83 13.034 -15.117 18.550 1.00 42.20 N ATOM 0 H ASN A 83 10.337 -13.773 14.840 1.00 23.21 H new ATOM 0 HA ASN A 83 13.107 -12.895 15.129 1.00 34.30 H new ATOM 0 HB2 ASN A 83 11.603 -13.001 17.075 1.00 5.33 H new ATOM 0 HB3 ASN A 83 11.292 -14.700 16.775 1.00 5.33 H new ATOM 0 HD21 ASN A 83 13.807 -15.405 19.150 1.00 42.20 H new ATOM 0 HD22 ASN A 83 12.092 -15.466 18.729 1.00 42.20 H new ATOM 1289 N GLN A 84 14.336 -15.048 14.535 1.00 54.12 N ATOM 1290 CA GLN A 84 15.004 -16.242 14.013 1.00 32.44 C ATOM 1291 C GLN A 84 14.614 -17.465 14.853 1.00 35.52 C ATOM 1292 O GLN A 84 15.124 -17.653 15.964 1.00 62.41 O ATOM 1293 CB GLN A 84 16.530 -16.058 14.013 1.00 74.55 C ATOM 1294 CG GLN A 84 17.011 -14.812 13.276 1.00 74.02 C ATOM 1295 CD GLN A 84 16.492 -14.722 11.849 1.00 54.40 C ATOM 1296 OE1 GLN A 84 15.443 -14.132 11.594 1.00 71.43 O ATOM 1297 NE2 GLN A 84 17.217 -15.309 10.910 1.00 3.04 N ATOM 0 H GLN A 84 14.965 -14.289 14.797 1.00 54.12 H new ATOM 0 HA GLN A 84 14.682 -16.399 12.983 1.00 32.44 H new ATOM 0 HB2 GLN A 84 16.879 -16.013 15.045 1.00 74.55 H new ATOM 0 HB3 GLN A 84 16.990 -16.935 13.558 1.00 74.55 H new ATOM 0 HG2 GLN A 84 16.694 -13.927 13.827 1.00 74.02 H new ATOM 0 HG3 GLN A 84 18.101 -14.805 13.260 1.00 74.02 H new ATOM 0 HE21 GLN A 84 18.082 -15.789 11.159 1.00 3.04 H new ATOM 0 HE22 GLN A 84 16.911 -15.281 9.937 1.00 3.04 H new ATOM 1306 N HIS A 85 13.691 -18.278 14.332 1.00 50.13 N ATOM 1307 CA HIS A 85 13.152 -19.418 15.076 1.00 23.14 C ATOM 1308 C HIS A 85 13.333 -20.716 14.291 1.00 22.41 C ATOM 1309 O HIS A 85 12.723 -20.918 13.241 1.00 2.45 O ATOM 1310 CB HIS A 85 11.667 -19.191 15.431 1.00 52.30 C ATOM 1311 CG HIS A 85 10.738 -19.048 14.252 1.00 34.32 C ATOM 1312 ND1 HIS A 85 10.511 -17.848 13.612 1.00 73.50 N ATOM 1313 CD2 HIS A 85 9.954 -19.958 13.621 1.00 52.32 C ATOM 1314 CE1 HIS A 85 9.634 -18.024 12.643 1.00 52.11 C ATOM 1315 NE2 HIS A 85 9.279 -19.294 12.626 1.00 52.35 N ATOM 0 H HIS A 85 13.301 -18.167 13.396 1.00 50.13 H new ATOM 0 HA HIS A 85 13.711 -19.507 16.007 1.00 23.14 H new ATOM 0 HB2 HIS A 85 11.325 -20.026 16.043 1.00 52.30 H new ATOM 0 HB3 HIS A 85 11.590 -18.293 16.044 1.00 52.30 H new ATOM 0 HD1 HIS A 85 10.953 -16.961 13.851 1.00 73.50 H new ATOM 0 HD2 HIS A 85 9.875 -21.009 13.857 1.00 52.32 H new ATOM 0 HE1 HIS A 85 9.268 -17.257 11.976 1.00 52.11 H new ATOM 1324 N SER A 86 14.184 -21.588 14.809 1.00 2.41 N ATOM 1325 CA SER A 86 14.461 -22.872 14.187 1.00 53.33 C ATOM 1326 C SER A 86 13.594 -23.955 14.826 1.00 3.22 C ATOM 1327 O SER A 86 14.026 -24.659 15.743 1.00 51.12 O ATOM 1328 CB SER A 86 15.952 -23.205 14.330 1.00 53.13 C ATOM 1329 OG SER A 86 16.278 -24.445 13.723 1.00 2.23 O ATOM 0 H SER A 86 14.702 -21.425 15.673 1.00 2.41 H new ATOM 0 HA SER A 86 14.220 -22.824 13.125 1.00 53.33 H new ATOM 0 HB2 SER A 86 16.546 -22.412 13.877 1.00 53.13 H new ATOM 0 HB3 SER A 86 16.217 -23.237 15.387 1.00 53.13 H new ATOM 0 HG SER A 86 17.236 -24.622 13.833 1.00 2.23 H new ATOM 1335 N GLY A 87 12.350 -24.045 14.365 1.00 74.42 N ATOM 1336 CA GLY A 87 11.419 -25.030 14.881 1.00 31.33 C ATOM 1337 C GLY A 87 10.007 -24.480 14.967 1.00 32.32 C ATOM 1338 O GLY A 87 9.764 -23.345 14.548 1.00 53.13 O ATOM 0 H GLY A 87 11.968 -23.445 13.634 1.00 74.42 H new ATOM 0 HA2 GLY A 87 11.428 -25.910 14.238 1.00 31.33 H new ATOM 0 HA3 GLY A 87 11.744 -25.354 15.870 1.00 31.33 H new ATOM 1342 N PRO A 88 9.050 -25.267 15.496 1.00 70.20 N ATOM 1343 CA PRO A 88 7.652 -24.838 15.640 1.00 73.53 C ATOM 1344 C PRO A 88 7.508 -23.630 16.565 1.00 3.41 C ATOM 1345 O PRO A 88 8.277 -23.464 17.517 1.00 45.03 O ATOM 1346 CB PRO A 88 6.947 -26.067 16.245 1.00 5.34 C ATOM 1347 CG PRO A 88 7.859 -27.210 15.959 1.00 11.52 C ATOM 1348 CD PRO A 88 9.250 -26.642 15.983 1.00 42.10 C ATOM 0 HA PRO A 88 7.229 -24.521 14.687 1.00 73.53 H new ATOM 0 HB2 PRO A 88 6.790 -25.945 17.317 1.00 5.34 H new ATOM 0 HB3 PRO A 88 5.966 -26.222 15.795 1.00 5.34 H new ATOM 0 HG2 PRO A 88 7.745 -27.997 16.705 1.00 11.52 H new ATOM 0 HG3 PRO A 88 7.635 -27.655 14.990 1.00 11.52 H new ATOM 0 HD2 PRO A 88 9.676 -26.658 16.986 1.00 42.10 H new ATOM 0 HD3 PRO A 88 9.927 -27.204 15.340 1.00 42.10 H new ATOM 1356 N GLY A 89 6.518 -22.794 16.276 1.00 45.11 N ATOM 1357 CA GLY A 89 6.255 -21.624 17.088 1.00 73.43 C ATOM 1358 C GLY A 89 5.007 -20.904 16.627 1.00 22.31 C ATOM 1359 O GLY A 89 4.599 -21.055 15.473 1.00 11.13 O ATOM 0 H GLY A 89 5.886 -22.909 15.483 1.00 45.11 H new ATOM 0 HA2 GLY A 89 6.142 -21.920 18.131 1.00 73.43 H new ATOM 0 HA3 GLY A 89 7.107 -20.946 17.040 1.00 73.43 H new ATOM 1363 N ILE A 90 4.392 -20.139 17.523 1.00 5.14 N ATOM 1364 CA ILE A 90 3.186 -19.392 17.187 1.00 21.42 C ATOM 1365 C ILE A 90 3.508 -18.203 16.287 1.00 23.35 C ATOM 1366 O ILE A 90 3.804 -17.097 16.755 1.00 33.33 O ATOM 1367 CB ILE A 90 2.411 -18.921 18.448 1.00 44.04 C ATOM 1368 CG1 ILE A 90 3.359 -18.262 19.466 1.00 14.02 C ATOM 1369 CG2 ILE A 90 1.672 -20.097 19.077 1.00 43.22 C ATOM 1370 CD1 ILE A 90 2.667 -17.744 20.713 1.00 22.10 C ATOM 0 H ILE A 90 4.708 -20.020 18.485 1.00 5.14 H new ATOM 0 HA ILE A 90 2.537 -20.078 16.643 1.00 21.42 H new ATOM 0 HB ILE A 90 1.680 -18.171 18.144 1.00 44.04 H new ATOM 0 HG12 ILE A 90 4.119 -18.986 19.760 1.00 14.02 H new ATOM 0 HG13 ILE A 90 3.877 -17.435 18.981 1.00 14.02 H new ATOM 0 HG21 ILE A 90 1.132 -19.757 19.960 1.00 43.22 H new ATOM 0 HG22 ILE A 90 0.966 -20.510 18.357 1.00 43.22 H new ATOM 0 HG23 ILE A 90 2.389 -20.866 19.364 1.00 43.22 H new ATOM 0 HD11 ILE A 90 3.404 -17.295 21.378 1.00 22.10 H new ATOM 0 HD12 ILE A 90 1.926 -16.995 20.433 1.00 22.10 H new ATOM 0 HD13 ILE A 90 2.172 -18.570 21.224 1.00 22.10 H new ATOM 1382 N ASP A 91 3.477 -18.456 14.987 1.00 1.23 N ATOM 1383 CA ASP A 91 3.689 -17.414 13.987 1.00 74.51 C ATOM 1384 C ASP A 91 2.463 -17.342 13.085 1.00 2.04 C ATOM 1385 O ASP A 91 1.804 -18.361 12.847 1.00 62.54 O ATOM 1386 CB ASP A 91 4.962 -17.681 13.164 1.00 44.12 C ATOM 1387 CG ASP A 91 5.686 -16.393 12.780 1.00 15.41 C ATOM 1388 OD1 ASP A 91 5.012 -15.423 12.365 1.00 24.45 O ATOM 1389 OD2 ASP A 91 6.925 -16.329 12.944 1.00 43.31 O ATOM 0 H ASP A 91 3.306 -19.382 14.595 1.00 1.23 H new ATOM 0 HA ASP A 91 3.829 -16.457 14.490 1.00 74.51 H new ATOM 0 HB2 ASP A 91 5.636 -18.317 13.738 1.00 44.12 H new ATOM 0 HB3 ASP A 91 4.699 -18.230 12.260 1.00 44.12 H new ATOM 1394 N TYR A 92 2.151 -16.148 12.592 1.00 33.23 N ATOM 1395 CA TYR A 92 0.891 -15.911 11.884 1.00 55.10 C ATOM 1396 C TYR A 92 1.094 -14.950 10.712 1.00 54.42 C ATOM 1397 O TYR A 92 2.216 -14.542 10.411 1.00 72.11 O ATOM 1398 CB TYR A 92 -0.167 -15.328 12.844 1.00 14.33 C ATOM 1399 CG TYR A 92 -0.461 -16.186 14.063 1.00 5.32 C ATOM 1400 CD1 TYR A 92 -1.340 -17.260 13.987 1.00 64.52 C ATOM 1401 CD2 TYR A 92 0.128 -15.908 15.294 1.00 74.10 C ATOM 1402 CE1 TYR A 92 -1.618 -18.037 15.096 1.00 43.34 C ATOM 1403 CE2 TYR A 92 -0.141 -16.680 16.406 1.00 61.43 C ATOM 1404 CZ TYR A 92 -1.018 -17.740 16.306 1.00 34.30 C ATOM 1405 OH TYR A 92 -1.295 -18.504 17.421 1.00 4.12 O ATOM 0 H TYR A 92 2.751 -15.327 12.668 1.00 33.23 H new ATOM 0 HA TYR A 92 0.542 -16.869 11.499 1.00 55.10 H new ATOM 0 HB2 TYR A 92 0.169 -14.347 13.180 1.00 14.33 H new ATOM 0 HB3 TYR A 92 -1.094 -15.176 12.292 1.00 14.33 H new ATOM 0 HD1 TYR A 92 -1.814 -17.492 13.045 1.00 64.52 H new ATOM 0 HD2 TYR A 92 0.808 -15.073 15.380 1.00 74.10 H new ATOM 0 HE1 TYR A 92 -2.300 -18.871 15.018 1.00 43.34 H new ATOM 0 HE2 TYR A 92 0.333 -16.455 17.350 1.00 61.43 H new ATOM 0 HH TYR A 92 -0.789 -18.160 18.187 1.00 4.12 H new ATOM 1415 N ALA A 93 -0.008 -14.602 10.060 1.00 11.13 N ATOM 1416 CA ALA A 93 -0.004 -13.650 8.960 1.00 53.10 C ATOM 1417 C ALA A 93 -0.586 -12.317 9.439 1.00 2.23 C ATOM 1418 O ALA A 93 -0.448 -11.959 10.614 1.00 73.52 O ATOM 1419 CB ALA A 93 -0.792 -14.221 7.780 1.00 75.12 C ATOM 0 H ALA A 93 -0.932 -14.974 10.281 1.00 11.13 H new ATOM 0 HA ALA A 93 1.017 -13.471 8.622 1.00 53.10 H new ATOM 0 HB1 ALA A 93 -0.787 -13.505 6.958 1.00 75.12 H new ATOM 0 HB2 ALA A 93 -0.332 -15.153 7.452 1.00 75.12 H new ATOM 0 HB3 ALA A 93 -1.820 -14.413 8.088 1.00 75.12 H new ATOM 1425 N VAL A 94 -1.222 -11.574 8.537 1.00 65.13 N ATOM 1426 CA VAL A 94 -1.772 -10.267 8.877 1.00 73.34 C ATOM 1427 C VAL A 94 -3.302 -10.251 8.769 1.00 64.21 C ATOM 1428 O VAL A 94 -3.871 -10.050 7.692 1.00 24.50 O ATOM 1429 CB VAL A 94 -1.136 -9.148 8.003 1.00 52.51 C ATOM 1430 CG1 VAL A 94 -1.209 -9.494 6.512 1.00 75.41 C ATOM 1431 CG2 VAL A 94 -1.785 -7.791 8.282 1.00 41.25 C ATOM 0 H VAL A 94 -1.369 -11.855 7.567 1.00 65.13 H new ATOM 0 HA VAL A 94 -1.518 -10.067 9.918 1.00 73.34 H new ATOM 0 HB VAL A 94 -0.083 -9.079 8.277 1.00 52.51 H new ATOM 0 HG11 VAL A 94 -0.756 -8.692 5.930 1.00 75.41 H new ATOM 0 HG12 VAL A 94 -0.671 -10.424 6.328 1.00 75.41 H new ATOM 0 HG13 VAL A 94 -2.251 -9.613 6.217 1.00 75.41 H new ATOM 0 HG21 VAL A 94 -1.319 -7.029 7.656 1.00 41.25 H new ATOM 0 HG22 VAL A 94 -2.850 -7.844 8.057 1.00 41.25 H new ATOM 0 HG23 VAL A 94 -1.648 -7.531 9.332 1.00 41.25 H new ATOM 1441 N ARG A 95 -3.964 -10.502 9.898 1.00 64.15 N ATOM 1442 CA ARG A 95 -5.417 -10.373 9.999 1.00 53.51 C ATOM 1443 C ARG A 95 -5.723 -9.082 10.756 1.00 63.34 C ATOM 1444 O ARG A 95 -5.995 -8.057 10.096 1.00 22.32 O ATOM 1445 CB ARG A 95 -6.027 -11.600 10.723 1.00 22.34 C ATOM 1446 CG ARG A 95 -7.523 -11.847 10.467 1.00 23.40 C ATOM 1447 CD ARG A 95 -8.439 -10.837 11.168 1.00 44.34 C ATOM 1448 NE ARG A 95 -8.681 -9.637 10.363 1.00 74.54 N ATOM 1449 CZ ARG A 95 -9.032 -8.446 10.864 1.00 11.51 C ATOM 1450 NH1 ARG A 95 -9.082 -8.251 12.176 1.00 11.43 N ATOM 1451 NH2 ARG A 95 -9.298 -7.442 10.042 1.00 42.22 N ATOM 1452 OXT ARG A 95 -5.648 -9.095 12.006 1.00 0.00 O ATOM 0 H ARG A 95 -3.512 -10.799 10.763 1.00 64.15 H new ATOM 0 HA ARG A 95 -5.862 -10.334 9.005 1.00 53.51 H new ATOM 0 HB2 ARG A 95 -5.474 -12.489 10.421 1.00 22.34 H new ATOM 0 HB3 ARG A 95 -5.876 -11.479 11.796 1.00 22.34 H new ATOM 0 HG2 ARG A 95 -7.710 -11.811 9.394 1.00 23.40 H new ATOM 0 HG3 ARG A 95 -7.780 -12.852 10.802 1.00 23.40 H new ATOM 0 HD2 ARG A 95 -9.392 -11.315 11.396 1.00 44.34 H new ATOM 0 HD3 ARG A 95 -7.992 -10.547 12.119 1.00 44.34 H new ATOM 0 HE ARG A 95 -8.575 -9.714 9.351 1.00 74.54 H new ATOM 0 HH11 ARG A 95 -8.852 -9.013 12.814 1.00 11.43 H new ATOM 0 HH12 ARG A 95 -9.351 -7.339 12.546 1.00 11.43 H new ATOM 0 HH21 ARG A 95 -9.235 -7.578 9.033 1.00 42.22 H new ATOM 0 HH22 ARG A 95 -9.566 -6.532 10.418 1.00 42.22 H new TER 1466 ARG A 95