USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 551 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 53 LYS NZ :NH3+ -177:sc= 0.744 (180deg=0.733) USER MOD Set 1.2: A 54 TYR OH : rot 156:sc= 0.0089 USER MOD Set 2.1: A 33 LYS NZ :NH3+ -164:sc= -0.232 (180deg=-0.352) USER MOD Set 2.2: A 36 ASN : amide:sc= -1.66 X(o=-1.9,f=-1.6) USER MOD Set 3.1: A 21 LYS NZ :NH3+ 172:sc= 0 (180deg=0) USER MOD Set 3.2: A 65 GLN : amide:sc= -0.759 X(o=-0.76,f=-0.97) USER MOD Single : A 1 MET CE :methyl -132:sc= -1.9! (180deg=-3.93!) USER MOD Single : A 1 MET N :NH3+ -128:sc= 0.0864 (180deg=-2!) USER MOD Single : A 2 HIS : no HD1:sc= -0.422 X(o=-0.42,f=-0.62) USER MOD Single : A 3 HIS : no HD1:sc= -0.7 K(o=-0.7,f=-0.11) USER MOD Single : A 4 HIS : no HD1:sc= -0.12 X(o=-0.12,f=-0.29) USER MOD Single : A 5 HIS : no HD1:sc= -0.0691 X(o=-0.069,f=-0.081) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= -2.93! K(o=-2.9!,f=-0.57) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.152 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -0.0126 X(o=-0.013,f=0) USER MOD Single : A 27 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.015 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 33:sc= 0.201 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 143:sc= 0.874 USER MOD Single : A 39 SER OG : rot 180:sc= -0.49 USER MOD Single : A 40 LYS NZ :NH3+ -152:sc= 0.0292 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -4.63! C(o=-4.6!,f=-13!) USER MOD Single : A 43 THR OG1 : rot 177:sc= 1.02 USER MOD Single : A 46 THR OG1 : rot -172:sc= -1.73 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -2.46! K(o=-2.5!,f=-0.2) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.047 7.845 0.018 1.00 3.53 N ATOM 2 CA MET A 1 0.804 8.245 -1.363 1.00 74.40 C ATOM 3 C MET A 1 1.840 7.629 -2.298 1.00 3.34 C ATOM 4 O MET A 1 2.948 7.293 -1.877 1.00 51.21 O ATOM 5 CB MET A 1 0.828 9.769 -1.488 1.00 4.22 C ATOM 6 CG MET A 1 -0.293 10.459 -0.729 1.00 14.31 C ATOM 7 SD MET A 1 0.223 11.040 0.898 1.00 22.11 S ATOM 8 CE MET A 1 -0.580 9.839 1.957 1.00 70.02 C ATOM 0 H1 MET A 1 0.172 7.457 0.426 1.00 3.53 H new ATOM 0 H2 MET A 1 1.792 7.120 0.043 1.00 3.53 H new ATOM 0 H3 MET A 1 1.350 8.672 0.571 1.00 3.53 H new ATOM 0 HA MET A 1 -0.182 7.881 -1.652 1.00 74.40 H new ATOM 0 HB2 MET A 1 1.785 10.140 -1.122 1.00 4.22 H new ATOM 0 HB3 MET A 1 0.763 10.040 -2.542 1.00 4.22 H new ATOM 0 HG2 MET A 1 -0.656 11.304 -1.314 1.00 14.31 H new ATOM 0 HG3 MET A 1 -1.128 9.768 -0.615 1.00 14.31 H new ATOM 0 HE1 MET A 1 -1.102 10.356 2.762 1.00 70.02 H new ATOM 0 HE2 MET A 1 -1.296 9.260 1.373 1.00 70.02 H new ATOM 0 HE3 MET A 1 0.169 9.169 2.381 1.00 70.02 H new ATOM 18 N HIS A 2 1.474 7.484 -3.567 1.00 40.22 N ATOM 19 CA HIS A 2 2.373 6.909 -4.561 1.00 43.34 C ATOM 20 C HIS A 2 2.245 7.638 -5.896 1.00 3.24 C ATOM 21 O HIS A 2 1.566 7.168 -6.809 1.00 65.21 O ATOM 22 CB HIS A 2 2.076 5.421 -4.749 1.00 53.42 C ATOM 23 CG HIS A 2 0.619 5.119 -4.925 1.00 3.34 C ATOM 24 ND1 HIS A 2 -0.268 5.055 -3.871 1.00 53.43 N ATOM 25 CD2 HIS A 2 -0.104 4.865 -6.040 1.00 60.31 C ATOM 26 CE1 HIS A 2 -1.474 4.773 -4.331 1.00 31.30 C ATOM 27 NE2 HIS A 2 -1.402 4.652 -5.644 1.00 43.43 N ATOM 0 H HIS A 2 0.561 7.757 -3.932 1.00 40.22 H new ATOM 0 HA HIS A 2 3.395 7.025 -4.200 1.00 43.34 H new ATOM 0 HB2 HIS A 2 2.622 5.057 -5.619 1.00 53.42 H new ATOM 0 HB3 HIS A 2 2.451 4.872 -3.885 1.00 53.42 H new ATOM 0 HD2 HIS A 2 0.270 4.835 -7.053 1.00 60.31 H new ATOM 0 HE1 HIS A 2 -2.367 4.661 -3.734 1.00 31.30 H new ATOM 0 HE2 HIS A 2 -2.183 4.436 -6.263 1.00 43.43 H new ATOM 35 N HIS A 3 2.901 8.789 -6.001 1.00 4.51 N ATOM 36 CA HIS A 3 2.861 9.584 -7.224 1.00 33.43 C ATOM 37 C HIS A 3 3.548 8.850 -8.371 1.00 60.42 C ATOM 38 O HIS A 3 4.376 7.965 -8.149 1.00 13.31 O ATOM 39 CB HIS A 3 3.528 10.940 -6.998 1.00 42.52 C ATOM 40 CG HIS A 3 4.977 10.842 -6.632 1.00 20.32 C ATOM 41 ND1 HIS A 3 5.466 11.199 -5.393 1.00 1.10 N ATOM 42 CD2 HIS A 3 6.045 10.421 -7.349 1.00 50.12 C ATOM 43 CE1 HIS A 3 6.772 11.004 -5.365 1.00 4.22 C ATOM 44 NE2 HIS A 3 7.149 10.532 -6.540 1.00 34.04 N ATOM 0 H HIS A 3 3.467 9.192 -5.254 1.00 4.51 H new ATOM 0 HA HIS A 3 1.816 9.742 -7.491 1.00 33.43 H new ATOM 0 HB2 HIS A 3 3.430 11.539 -7.903 1.00 42.52 H new ATOM 0 HB3 HIS A 3 2.997 11.469 -6.207 1.00 42.52 H new ATOM 0 HD2 HIS A 3 6.031 10.064 -8.368 1.00 50.12 H new ATOM 0 HE1 HIS A 3 7.422 11.198 -4.524 1.00 4.22 H new ATOM 0 HE2 HIS A 3 8.104 10.290 -6.803 1.00 34.04 H new ATOM 52 N HIS A 4 3.199 9.222 -9.599 1.00 21.33 N ATOM 53 CA HIS A 4 3.783 8.598 -10.781 1.00 54.44 C ATOM 54 C HIS A 4 3.231 9.229 -12.056 1.00 53.32 C ATOM 55 O HIS A 4 3.965 9.451 -13.020 1.00 0.25 O ATOM 56 CB HIS A 4 3.505 7.095 -10.781 1.00 32.11 C ATOM 57 CG HIS A 4 4.726 6.260 -11.015 1.00 40.12 C ATOM 58 ND1 HIS A 4 5.766 6.660 -11.828 1.00 22.53 N ATOM 59 CD2 HIS A 4 5.071 5.042 -10.537 1.00 32.23 C ATOM 60 CE1 HIS A 4 6.697 5.722 -11.840 1.00 40.32 C ATOM 61 NE2 HIS A 4 6.300 4.730 -11.064 1.00 73.03 N ATOM 0 H HIS A 4 2.515 9.952 -9.801 1.00 21.33 H new ATOM 0 HA HIS A 4 4.860 8.760 -10.752 1.00 54.44 H new ATOM 0 HB2 HIS A 4 3.062 6.816 -9.825 1.00 32.11 H new ATOM 0 HB3 HIS A 4 2.768 6.870 -11.552 1.00 32.11 H new ATOM 0 HD2 HIS A 4 4.488 4.429 -9.866 1.00 32.23 H new ATOM 0 HE1 HIS A 4 7.625 5.760 -12.391 1.00 40.32 H new ATOM 0 HE2 HIS A 4 6.821 3.872 -10.885 1.00 73.03 H new ATOM 69 N HIS A 5 1.932 9.515 -12.055 1.00 45.32 N ATOM 70 CA HIS A 5 1.282 10.121 -13.212 1.00 62.41 C ATOM 71 C HIS A 5 1.901 11.477 -13.536 1.00 25.14 C ATOM 72 O HIS A 5 2.827 11.926 -12.858 1.00 74.01 O ATOM 73 CB HIS A 5 -0.217 10.279 -12.956 1.00 2.41 C ATOM 74 CG HIS A 5 -0.870 9.037 -12.435 1.00 34.41 C ATOM 75 ND1 HIS A 5 -1.751 9.037 -11.374 1.00 10.51 N ATOM 76 CD2 HIS A 5 -0.769 7.748 -12.836 1.00 63.05 C ATOM 77 CE1 HIS A 5 -2.161 7.803 -11.144 1.00 74.01 C ATOM 78 NE2 HIS A 5 -1.580 7.001 -12.018 1.00 54.33 N ATOM 0 H HIS A 5 1.310 9.337 -11.267 1.00 45.32 H new ATOM 0 HA HIS A 5 1.430 9.462 -14.067 1.00 62.41 H new ATOM 0 HB2 HIS A 5 -0.372 11.088 -12.242 1.00 2.41 H new ATOM 0 HB3 HIS A 5 -0.706 10.575 -13.884 1.00 2.41 H new ATOM 0 HD2 HIS A 5 -0.163 7.376 -13.649 1.00 63.05 H new ATOM 0 HE1 HIS A 5 -2.854 7.501 -10.372 1.00 74.01 H new ATOM 0 HE2 HIS A 5 -1.712 5.991 -12.076 1.00 54.33 H new ATOM 86 N HIS A 6 1.386 12.125 -14.576 1.00 32.35 N ATOM 87 CA HIS A 6 1.889 13.430 -14.989 1.00 14.00 C ATOM 88 C HIS A 6 0.875 14.527 -14.676 1.00 21.42 C ATOM 89 O HIS A 6 -0.309 14.401 -14.991 1.00 23.52 O ATOM 90 CB HIS A 6 2.208 13.427 -16.484 1.00 62.32 C ATOM 91 CG HIS A 6 3.472 12.699 -16.825 1.00 2.11 C ATOM 92 ND1 HIS A 6 4.678 13.338 -17.026 1.00 34.14 N ATOM 93 CD2 HIS A 6 3.714 11.379 -16.998 1.00 63.34 C ATOM 94 CE1 HIS A 6 5.606 12.442 -17.310 1.00 1.15 C ATOM 95 NE2 HIS A 6 5.048 11.245 -17.299 1.00 14.31 N ATOM 0 H HIS A 6 0.621 11.768 -15.148 1.00 32.35 H new ATOM 0 HA HIS A 6 2.803 13.633 -14.430 1.00 14.00 H new ATOM 0 HB2 HIS A 6 1.378 12.970 -17.023 1.00 62.32 H new ATOM 0 HB3 HIS A 6 2.286 14.457 -16.833 1.00 62.32 H new ATOM 0 HD2 HIS A 6 2.993 10.579 -16.915 1.00 63.34 H new ATOM 0 HE1 HIS A 6 6.645 12.653 -17.516 1.00 1.15 H new ATOM 0 HE2 HIS A 6 5.529 10.365 -17.484 1.00 14.31 H new ATOM 103 N HIS A 7 1.347 15.602 -14.053 1.00 43.02 N ATOM 104 CA HIS A 7 0.482 16.721 -13.697 1.00 70.12 C ATOM 105 C HIS A 7 -0.490 16.325 -12.589 1.00 43.15 C ATOM 106 O HIS A 7 -0.309 16.698 -11.431 1.00 11.11 O ATOM 107 CB HIS A 7 -0.293 17.204 -14.923 1.00 74.33 C ATOM 108 CG HIS A 7 0.073 18.590 -15.356 1.00 13.12 C ATOM 109 ND1 HIS A 7 1.222 18.880 -16.060 1.00 24.11 N ATOM 110 CD2 HIS A 7 -0.568 19.770 -15.182 1.00 25.13 C ATOM 111 CE1 HIS A 7 1.274 20.178 -16.299 1.00 4.25 C ATOM 112 NE2 HIS A 7 0.200 20.741 -15.776 1.00 53.25 N ATOM 0 H HIS A 7 2.324 15.722 -13.784 1.00 43.02 H new ATOM 0 HA HIS A 7 1.111 17.533 -13.331 1.00 70.12 H new ATOM 0 HB2 HIS A 7 -0.115 16.515 -15.749 1.00 74.33 H new ATOM 0 HB3 HIS A 7 -1.360 17.171 -14.704 1.00 74.33 H new ATOM 0 HD2 HIS A 7 -1.508 19.920 -14.671 1.00 25.13 H new ATOM 0 HE1 HIS A 7 2.061 20.691 -16.831 1.00 4.25 H new ATOM 0 HE2 HIS A 7 -0.023 21.736 -15.808 1.00 53.25 H new ATOM 120 N GLU A 8 -1.520 15.569 -12.955 1.00 30.31 N ATOM 121 CA GLU A 8 -2.520 15.125 -11.992 1.00 34.55 C ATOM 122 C GLU A 8 -3.560 14.230 -12.660 1.00 70.41 C ATOM 123 O GLU A 8 -3.399 13.826 -13.812 1.00 34.21 O ATOM 124 CB GLU A 8 -3.208 16.329 -11.345 1.00 72.11 C ATOM 125 CG GLU A 8 -3.197 16.294 -9.826 1.00 64.51 C ATOM 126 CD GLU A 8 -4.573 16.049 -9.238 1.00 4.23 C ATOM 127 OE1 GLU A 8 -5.321 17.031 -9.049 1.00 24.13 O ATOM 128 OE2 GLU A 8 -4.901 14.875 -8.966 1.00 51.15 O ATOM 0 H GLU A 8 -1.684 15.252 -13.910 1.00 30.31 H new ATOM 0 HA GLU A 8 -2.011 14.548 -11.220 1.00 34.55 H new ATOM 0 HB2 GLU A 8 -2.717 17.242 -11.682 1.00 72.11 H new ATOM 0 HB3 GLU A 8 -4.240 16.376 -11.691 1.00 72.11 H new ATOM 0 HG2 GLU A 8 -2.518 15.511 -9.489 1.00 64.51 H new ATOM 0 HG3 GLU A 8 -2.807 17.239 -9.447 1.00 64.51 H new ATOM 135 N VAL A 9 -4.627 13.923 -11.928 1.00 64.14 N ATOM 136 CA VAL A 9 -5.693 13.076 -12.449 1.00 54.54 C ATOM 137 C VAL A 9 -5.187 11.667 -12.734 1.00 41.15 C ATOM 138 O VAL A 9 -4.107 11.470 -13.291 1.00 24.41 O ATOM 139 CB VAL A 9 -6.297 13.664 -13.739 1.00 21.01 C ATOM 140 CG1 VAL A 9 -7.350 12.727 -14.311 1.00 12.33 C ATOM 141 CG2 VAL A 9 -6.885 15.041 -13.472 1.00 41.31 C ATOM 0 H VAL A 9 -4.776 14.248 -10.973 1.00 64.14 H new ATOM 0 HA VAL A 9 -6.466 13.032 -11.682 1.00 54.54 H new ATOM 0 HB VAL A 9 -5.501 13.771 -14.476 1.00 21.01 H new ATOM 0 HG11 VAL A 9 -7.765 13.159 -15.222 1.00 12.33 H new ATOM 0 HG12 VAL A 9 -6.894 11.764 -14.541 1.00 12.33 H new ATOM 0 HG13 VAL A 9 -8.147 12.586 -13.581 1.00 12.33 H new ATOM 0 HG21 VAL A 9 -7.307 15.441 -14.394 1.00 41.31 H new ATOM 0 HG22 VAL A 9 -7.668 14.962 -12.718 1.00 41.31 H new ATOM 0 HG23 VAL A 9 -6.101 15.708 -13.112 1.00 41.31 H new ATOM 151 N PRO A 10 -5.985 10.662 -12.345 1.00 61.43 N ATOM 152 CA PRO A 10 -5.639 9.252 -12.550 1.00 22.13 C ATOM 153 C PRO A 10 -5.686 8.851 -14.020 1.00 73.40 C ATOM 154 O PRO A 10 -6.124 9.626 -14.870 1.00 32.43 O ATOM 155 CB PRO A 10 -6.714 8.504 -11.756 1.00 45.34 C ATOM 156 CG PRO A 10 -7.873 9.439 -11.714 1.00 45.34 C ATOM 157 CD PRO A 10 -7.287 10.824 -11.676 1.00 64.43 C ATOM 0 HA PRO A 10 -4.621 9.031 -12.228 1.00 22.13 H new ATOM 0 HB2 PRO A 10 -6.981 7.564 -12.239 1.00 45.34 H new ATOM 0 HB3 PRO A 10 -6.366 8.259 -10.752 1.00 45.34 H new ATOM 0 HG2 PRO A 10 -8.511 9.309 -12.588 1.00 45.34 H new ATOM 0 HG3 PRO A 10 -8.493 9.253 -10.837 1.00 45.34 H new ATOM 0 HD2 PRO A 10 -7.920 11.543 -12.197 1.00 64.43 H new ATOM 0 HD3 PRO A 10 -7.171 11.184 -10.654 1.00 64.43 H new ATOM 165 N GLN A 11 -5.233 7.636 -14.312 1.00 33.30 N ATOM 166 CA GLN A 11 -5.225 7.133 -15.681 1.00 25.34 C ATOM 167 C GLN A 11 -4.321 7.984 -16.567 1.00 73.54 C ATOM 168 O GLN A 11 -4.426 7.949 -17.794 1.00 41.00 O ATOM 169 CB GLN A 11 -6.645 7.113 -16.248 1.00 42.23 C ATOM 170 CG GLN A 11 -7.588 6.189 -15.496 1.00 31.41 C ATOM 171 CD GLN A 11 -8.911 6.850 -15.162 1.00 42.04 C ATOM 172 OE1 GLN A 11 -9.975 6.363 -15.544 1.00 73.03 O ATOM 173 NE2 GLN A 11 -8.851 7.966 -14.446 1.00 3.41 N ATOM 0 H GLN A 11 -4.867 6.982 -13.620 1.00 33.30 H new ATOM 0 HA GLN A 11 -4.835 6.115 -15.666 1.00 25.34 H new ATOM 0 HB2 GLN A 11 -7.049 8.125 -16.228 1.00 42.23 H new ATOM 0 HB3 GLN A 11 -6.606 6.806 -17.293 1.00 42.23 H new ATOM 0 HG2 GLN A 11 -7.773 5.298 -16.096 1.00 31.41 H new ATOM 0 HG3 GLN A 11 -7.109 5.859 -14.575 1.00 31.41 H new ATOM 0 HE21 GLN A 11 -7.947 8.334 -14.150 1.00 3.41 H new ATOM 0 HE22 GLN A 11 -9.709 8.455 -14.191 1.00 3.41 H new ATOM 182 N THR A 12 -3.433 8.748 -15.939 1.00 55.12 N ATOM 183 CA THR A 12 -2.513 9.609 -16.671 1.00 1.23 C ATOM 184 C THR A 12 -3.226 10.844 -17.210 1.00 70.22 C ATOM 185 O THR A 12 -2.843 11.975 -16.910 1.00 72.11 O ATOM 186 CB THR A 12 -1.853 8.859 -17.843 1.00 23.44 C ATOM 187 OG1 THR A 12 -1.576 7.506 -17.464 1.00 73.51 O ATOM 188 CG2 THR A 12 -0.563 9.545 -18.267 1.00 53.21 C ATOM 0 H THR A 12 -3.332 8.788 -14.925 1.00 55.12 H new ATOM 0 HA THR A 12 -1.741 9.917 -15.966 1.00 1.23 H new ATOM 0 HB THR A 12 -2.544 8.867 -18.686 1.00 23.44 H new ATOM 0 HG1 THR A 12 -1.158 7.035 -18.215 1.00 73.51 H new ATOM 0 HG21 THR A 12 -0.115 8.997 -19.096 1.00 53.21 H new ATOM 0 HG22 THR A 12 -0.780 10.566 -18.582 1.00 53.21 H new ATOM 0 HG23 THR A 12 0.132 9.564 -17.427 1.00 53.21 H new ATOM 196 N PHE A 13 -4.265 10.620 -18.007 1.00 74.04 N ATOM 197 CA PHE A 13 -5.032 11.715 -18.589 1.00 54.32 C ATOM 198 C PHE A 13 -5.406 12.743 -17.525 1.00 51.01 C ATOM 199 O PHE A 13 -5.322 12.470 -16.328 1.00 44.42 O ATOM 200 CB PHE A 13 -6.297 11.179 -19.263 1.00 33.13 C ATOM 201 CG PHE A 13 -6.540 11.755 -20.628 1.00 42.33 C ATOM 202 CD1 PHE A 13 -5.984 11.166 -21.752 1.00 72.23 C ATOM 203 CD2 PHE A 13 -7.323 12.887 -20.788 1.00 1.22 C ATOM 204 CE1 PHE A 13 -6.206 11.693 -23.011 1.00 3.55 C ATOM 205 CE2 PHE A 13 -7.548 13.419 -22.043 1.00 52.14 C ATOM 206 CZ PHE A 13 -6.988 12.822 -23.156 1.00 1.30 C ATOM 0 H PHE A 13 -4.595 9.690 -18.265 1.00 74.04 H new ATOM 0 HA PHE A 13 -4.409 12.203 -19.338 1.00 54.32 H new ATOM 0 HB2 PHE A 13 -6.224 10.094 -19.343 1.00 33.13 H new ATOM 0 HB3 PHE A 13 -7.156 11.395 -18.628 1.00 33.13 H new ATOM 0 HD1 PHE A 13 -5.370 10.284 -21.644 1.00 72.23 H new ATOM 0 HD2 PHE A 13 -7.762 13.359 -19.922 1.00 1.22 H new ATOM 0 HE1 PHE A 13 -5.769 11.223 -23.879 1.00 3.55 H new ATOM 0 HE2 PHE A 13 -8.161 14.301 -22.154 1.00 52.14 H new ATOM 0 HZ PHE A 13 -7.161 13.237 -24.138 1.00 1.30 H new ATOM 216 N GLU A 14 -5.819 13.925 -17.972 1.00 3.24 N ATOM 217 CA GLU A 14 -6.204 14.994 -17.058 1.00 2.22 C ATOM 218 C GLU A 14 -7.279 15.881 -17.680 1.00 30.33 C ATOM 219 O GLU A 14 -7.121 16.378 -18.795 1.00 11.03 O ATOM 220 CB GLU A 14 -4.984 15.839 -16.683 1.00 54.33 C ATOM 221 CG GLU A 14 -4.106 16.200 -17.870 1.00 30.54 C ATOM 222 CD GLU A 14 -3.772 17.678 -17.921 1.00 21.35 C ATOM 223 OE1 GLU A 14 -2.814 18.093 -17.235 1.00 63.42 O ATOM 224 OE2 GLU A 14 -4.468 18.419 -18.645 1.00 0.43 O ATOM 0 H GLU A 14 -5.895 14.166 -18.960 1.00 3.24 H new ATOM 0 HA GLU A 14 -6.611 14.537 -16.156 1.00 2.22 H new ATOM 0 HB2 GLU A 14 -5.322 16.756 -16.200 1.00 54.33 H new ATOM 0 HB3 GLU A 14 -4.386 15.295 -15.952 1.00 54.33 H new ATOM 0 HG2 GLU A 14 -3.182 15.624 -17.822 1.00 30.54 H new ATOM 0 HG3 GLU A 14 -4.612 15.914 -18.792 1.00 30.54 H new ATOM 231 N VAL A 15 -8.373 16.074 -16.950 1.00 75.43 N ATOM 232 CA VAL A 15 -9.475 16.900 -17.429 1.00 33.12 C ATOM 233 C VAL A 15 -8.982 18.274 -17.866 1.00 43.42 C ATOM 234 O VAL A 15 -8.006 18.794 -17.327 1.00 2.44 O ATOM 235 CB VAL A 15 -10.557 17.076 -16.346 1.00 65.50 C ATOM 236 CG1 VAL A 15 -11.736 17.866 -16.892 1.00 4.51 C ATOM 237 CG2 VAL A 15 -11.009 15.721 -15.821 1.00 54.44 C ATOM 0 H VAL A 15 -8.520 15.670 -16.025 1.00 75.43 H new ATOM 0 HA VAL A 15 -9.909 16.383 -18.285 1.00 33.12 H new ATOM 0 HB VAL A 15 -10.128 17.638 -15.516 1.00 65.50 H new ATOM 0 HG11 VAL A 15 -12.490 17.980 -16.113 1.00 4.51 H new ATOM 0 HG12 VAL A 15 -11.396 18.850 -17.215 1.00 4.51 H new ATOM 0 HG13 VAL A 15 -12.168 17.335 -17.740 1.00 4.51 H new ATOM 0 HG21 VAL A 15 -11.773 15.863 -15.057 1.00 54.44 H new ATOM 0 HG22 VAL A 15 -11.421 15.132 -16.641 1.00 54.44 H new ATOM 0 HG23 VAL A 15 -10.157 15.196 -15.389 1.00 54.44 H new ATOM 247 N GLU A 16 -9.663 18.857 -18.847 1.00 54.44 N ATOM 248 CA GLU A 16 -9.293 20.172 -19.357 1.00 52.44 C ATOM 249 C GLU A 16 -9.462 21.241 -18.281 1.00 33.20 C ATOM 250 O GLU A 16 -8.483 21.803 -17.790 1.00 51.14 O ATOM 251 CB GLU A 16 -10.141 20.527 -20.581 1.00 31.32 C ATOM 252 CG GLU A 16 -9.320 20.908 -21.801 1.00 3.32 C ATOM 253 CD GLU A 16 -8.818 22.338 -21.742 1.00 62.03 C ATOM 254 OE1 GLU A 16 -9.247 23.081 -20.835 1.00 42.34 O ATOM 255 OE2 GLU A 16 -7.995 22.713 -22.604 1.00 53.01 O ATOM 0 H GLU A 16 -10.474 18.440 -19.304 1.00 54.44 H new ATOM 0 HA GLU A 16 -8.243 20.137 -19.649 1.00 52.44 H new ATOM 0 HB2 GLU A 16 -10.776 19.677 -20.832 1.00 31.32 H new ATOM 0 HB3 GLU A 16 -10.803 21.355 -20.326 1.00 31.32 H new ATOM 0 HG2 GLU A 16 -8.470 20.232 -21.888 1.00 3.32 H new ATOM 0 HG3 GLU A 16 -9.925 20.776 -22.698 1.00 3.32 H new ATOM 262 N ARG A 17 -10.711 21.516 -17.919 1.00 73.44 N ATOM 263 CA ARG A 17 -11.010 22.517 -16.903 1.00 43.31 C ATOM 264 C ARG A 17 -12.503 22.547 -16.591 1.00 21.35 C ATOM 265 O ARG A 17 -13.313 21.986 -17.329 1.00 63.33 O ATOM 266 CB ARG A 17 -10.548 23.900 -17.368 1.00 23.41 C ATOM 267 CG ARG A 17 -11.597 24.656 -18.165 1.00 55.32 C ATOM 268 CD ARG A 17 -12.022 23.882 -19.403 1.00 34.21 C ATOM 269 NE ARG A 17 -12.223 24.757 -20.554 1.00 54.43 N ATOM 270 CZ ARG A 17 -13.208 25.645 -20.639 1.00 42.15 C ATOM 271 NH1 ARG A 17 -14.076 25.774 -19.646 1.00 12.41 N ATOM 272 NH2 ARG A 17 -13.325 26.406 -21.720 1.00 41.21 N ATOM 0 H ARG A 17 -11.532 21.059 -18.315 1.00 73.44 H new ATOM 0 HA ARG A 17 -10.472 22.247 -15.994 1.00 43.31 H new ATOM 0 HB2 ARG A 17 -10.269 24.493 -16.497 1.00 23.41 H new ATOM 0 HB3 ARG A 17 -9.651 23.788 -17.978 1.00 23.41 H new ATOM 0 HG2 ARG A 17 -12.467 24.845 -17.536 1.00 55.32 H new ATOM 0 HG3 ARG A 17 -11.201 25.627 -18.460 1.00 55.32 H new ATOM 0 HD2 ARG A 17 -11.263 23.137 -19.643 1.00 34.21 H new ATOM 0 HD3 ARG A 17 -12.945 23.341 -19.193 1.00 34.21 H new ATOM 0 HE ARG A 17 -11.572 24.683 -21.336 1.00 54.43 H new ATOM 0 HH11 ARG A 17 -13.989 25.191 -18.814 1.00 12.41 H new ATOM 0 HH12 ARG A 17 -14.831 26.456 -19.714 1.00 12.41 H new ATOM 0 HH21 ARG A 17 -12.659 26.309 -22.486 1.00 41.21 H new ATOM 0 HH22 ARG A 17 -14.081 27.087 -21.785 1.00 41.21 H new ATOM 286 N ILE A 18 -12.859 23.203 -15.492 1.00 13.42 N ATOM 287 CA ILE A 18 -14.254 23.306 -15.082 1.00 54.05 C ATOM 288 C ILE A 18 -15.028 24.248 -15.998 1.00 52.33 C ATOM 289 O ILE A 18 -14.795 25.457 -16.004 1.00 2.04 O ATOM 290 CB ILE A 18 -14.380 23.802 -13.630 1.00 1.21 C ATOM 291 CG1 ILE A 18 -13.537 22.932 -12.696 1.00 22.31 C ATOM 292 CG2 ILE A 18 -15.837 23.800 -13.193 1.00 73.43 C ATOM 293 CD1 ILE A 18 -14.228 21.654 -12.273 1.00 3.20 C ATOM 0 H ILE A 18 -12.201 23.671 -14.869 1.00 13.42 H new ATOM 0 HA ILE A 18 -14.678 22.304 -15.153 1.00 54.05 H new ATOM 0 HB ILE A 18 -14.007 24.825 -13.578 1.00 1.21 H new ATOM 0 HG12 ILE A 18 -12.600 22.681 -13.193 1.00 22.31 H new ATOM 0 HG13 ILE A 18 -13.282 23.509 -11.807 1.00 22.31 H new ATOM 0 HG21 ILE A 18 -15.909 24.153 -12.164 1.00 73.43 H new ATOM 0 HG22 ILE A 18 -16.413 24.458 -13.844 1.00 73.43 H new ATOM 0 HG23 ILE A 18 -16.235 22.787 -13.257 1.00 73.43 H new ATOM 0 HD11 ILE A 18 -13.572 21.087 -11.612 1.00 3.20 H new ATOM 0 HD12 ILE A 18 -15.151 21.897 -11.747 1.00 3.20 H new ATOM 0 HD13 ILE A 18 -14.459 21.056 -13.155 1.00 3.20 H new ATOM 305 N VAL A 19 -15.952 23.687 -16.772 1.00 33.25 N ATOM 306 CA VAL A 19 -16.764 24.477 -17.690 1.00 24.11 C ATOM 307 C VAL A 19 -17.579 25.524 -16.941 1.00 15.34 C ATOM 308 O VAL A 19 -17.543 26.709 -17.274 1.00 34.13 O ATOM 309 CB VAL A 19 -17.719 23.585 -18.505 1.00 24.41 C ATOM 310 CG1 VAL A 19 -18.329 24.368 -19.657 1.00 65.13 C ATOM 311 CG2 VAL A 19 -16.989 22.351 -19.015 1.00 33.11 C ATOM 0 H VAL A 19 -16.157 22.688 -16.781 1.00 33.25 H new ATOM 0 HA VAL A 19 -16.075 24.976 -18.372 1.00 24.11 H new ATOM 0 HB VAL A 19 -18.528 23.257 -17.852 1.00 24.41 H new ATOM 0 HG11 VAL A 19 -19.001 23.721 -20.221 1.00 65.13 H new ATOM 0 HG12 VAL A 19 -18.888 25.217 -19.264 1.00 65.13 H new ATOM 0 HG13 VAL A 19 -17.536 24.728 -20.313 1.00 65.13 H new ATOM 0 HG21 VAL A 19 -17.678 21.732 -19.589 1.00 33.11 H new ATOM 0 HG22 VAL A 19 -16.159 22.657 -19.652 1.00 33.11 H new ATOM 0 HG23 VAL A 19 -16.606 21.780 -18.170 1.00 33.11 H new ATOM 321 N ARG A 20 -18.314 25.080 -15.927 1.00 35.54 N ATOM 322 CA ARG A 20 -19.140 25.979 -15.130 1.00 35.53 C ATOM 323 C ARG A 20 -19.619 25.290 -13.855 1.00 14.21 C ATOM 324 O ARG A 20 -19.172 24.192 -13.523 1.00 41.23 O ATOM 325 CB ARG A 20 -20.342 26.459 -15.945 1.00 75.52 C ATOM 326 CG ARG A 20 -21.249 25.332 -16.414 1.00 51.33 C ATOM 327 CD ARG A 20 -21.099 25.081 -17.907 1.00 24.15 C ATOM 328 NE ARG A 20 -21.977 25.939 -18.697 1.00 72.54 N ATOM 329 CZ ARG A 20 -23.301 25.830 -18.702 1.00 31.15 C ATOM 330 NH1 ARG A 20 -23.896 24.905 -17.961 1.00 11.35 N ATOM 331 NH2 ARG A 20 -24.033 26.648 -19.448 1.00 22.53 N ATOM 0 H ARG A 20 -18.354 24.103 -15.638 1.00 35.54 H new ATOM 0 HA ARG A 20 -18.532 26.839 -14.851 1.00 35.53 H new ATOM 0 HB2 ARG A 20 -20.924 27.156 -15.342 1.00 75.52 H new ATOM 0 HB3 ARG A 20 -19.984 27.011 -16.814 1.00 75.52 H new ATOM 0 HG2 ARG A 20 -21.012 24.421 -15.865 1.00 51.33 H new ATOM 0 HG3 ARG A 20 -22.286 25.580 -16.188 1.00 51.33 H new ATOM 0 HD2 ARG A 20 -20.064 25.253 -18.201 1.00 24.15 H new ATOM 0 HD3 ARG A 20 -21.323 24.036 -18.123 1.00 24.15 H new ATOM 0 HE ARG A 20 -21.551 26.662 -19.277 1.00 72.54 H new ATOM 0 HH11 ARG A 20 -23.337 24.275 -17.385 1.00 11.35 H new ATOM 0 HH12 ARG A 20 -24.913 24.823 -17.967 1.00 11.35 H new ATOM 0 HH21 ARG A 20 -23.579 27.361 -20.018 1.00 22.53 H new ATOM 0 HH22 ARG A 20 -25.049 26.563 -19.451 1.00 22.53 H new ATOM 345 N LYS A 21 -20.532 25.943 -13.143 1.00 43.20 N ATOM 346 CA LYS A 21 -21.073 25.395 -11.905 1.00 2.41 C ATOM 347 C LYS A 21 -22.452 25.977 -11.610 1.00 21.43 C ATOM 348 O LYS A 21 -22.806 27.045 -12.108 1.00 14.22 O ATOM 349 CB LYS A 21 -20.126 25.684 -10.738 1.00 45.43 C ATOM 350 CG LYS A 21 -20.070 27.152 -10.349 1.00 63.52 C ATOM 351 CD LYS A 21 -19.414 27.344 -8.992 1.00 70.00 C ATOM 352 CE LYS A 21 -20.130 28.406 -8.173 1.00 14.45 C ATOM 353 NZ LYS A 21 -19.237 29.012 -7.147 1.00 23.13 N ATOM 0 H LYS A 21 -20.913 26.853 -13.403 1.00 43.20 H new ATOM 0 HA LYS A 21 -21.171 24.316 -12.027 1.00 2.41 H new ATOM 0 HB2 LYS A 21 -20.440 25.099 -9.873 1.00 45.43 H new ATOM 0 HB3 LYS A 21 -19.123 25.348 -11.003 1.00 45.43 H new ATOM 0 HG2 LYS A 21 -19.515 27.709 -11.104 1.00 63.52 H new ATOM 0 HG3 LYS A 21 -21.079 27.563 -10.328 1.00 63.52 H new ATOM 0 HD2 LYS A 21 -19.418 26.399 -8.448 1.00 70.00 H new ATOM 0 HD3 LYS A 21 -18.371 27.630 -9.128 1.00 70.00 H new ATOM 0 HE2 LYS A 21 -20.502 29.186 -8.837 1.00 14.45 H new ATOM 0 HE3 LYS A 21 -20.997 27.963 -7.683 1.00 14.45 H new ATOM 0 HZ1 LYS A 21 -19.717 29.821 -6.703 1.00 23.13 H new ATOM 0 HZ2 LYS A 21 -19.011 28.302 -6.421 1.00 23.13 H new ATOM 0 HZ3 LYS A 21 -18.359 29.337 -7.599 1.00 23.13 H new ATOM 367 N LYS A 22 -23.226 25.267 -10.796 1.00 1.15 N ATOM 368 CA LYS A 22 -24.565 25.713 -10.431 1.00 14.10 C ATOM 369 C LYS A 22 -25.145 24.843 -9.320 1.00 1.30 C ATOM 370 O LYS A 22 -24.920 23.633 -9.285 1.00 40.24 O ATOM 371 CB LYS A 22 -25.487 25.679 -11.653 1.00 4.54 C ATOM 372 CG LYS A 22 -25.961 24.284 -12.018 1.00 60.33 C ATOM 373 CD LYS A 22 -27.388 24.041 -11.556 1.00 71.14 C ATOM 374 CE LYS A 22 -28.341 23.911 -12.735 1.00 1.11 C ATOM 375 NZ LYS A 22 -29.734 23.627 -12.293 1.00 32.01 N ATOM 0 H LYS A 22 -22.948 24.380 -10.376 1.00 1.15 H new ATOM 0 HA LYS A 22 -24.492 26.737 -10.066 1.00 14.10 H new ATOM 0 HB2 LYS A 22 -26.355 26.310 -11.461 1.00 4.54 H new ATOM 0 HB3 LYS A 22 -24.962 26.110 -12.506 1.00 4.54 H new ATOM 0 HG2 LYS A 22 -25.899 24.149 -13.098 1.00 60.33 H new ATOM 0 HG3 LYS A 22 -25.300 23.544 -11.566 1.00 60.33 H new ATOM 0 HD2 LYS A 22 -27.427 23.134 -10.953 1.00 71.14 H new ATOM 0 HD3 LYS A 22 -27.709 24.863 -10.916 1.00 71.14 H new ATOM 0 HE2 LYS A 22 -28.326 24.832 -13.318 1.00 1.11 H new ATOM 0 HE3 LYS A 22 -27.999 23.112 -13.392 1.00 1.11 H new ATOM 0 HZ1 LYS A 22 -30.352 23.546 -13.125 1.00 32.01 H new ATOM 0 HZ2 LYS A 22 -29.754 22.735 -11.758 1.00 32.01 H new ATOM 0 HZ3 LYS A 22 -30.070 24.402 -11.686 1.00 32.01 H new ATOM 389 N ILE A 23 -25.892 25.467 -8.415 1.00 71.04 N ATOM 390 CA ILE A 23 -26.506 24.748 -7.305 1.00 45.54 C ATOM 391 C ILE A 23 -28.008 24.595 -7.513 1.00 54.33 C ATOM 392 O ILE A 23 -28.647 25.436 -8.147 1.00 33.42 O ATOM 393 CB ILE A 23 -26.254 25.463 -5.965 1.00 13.34 C ATOM 394 CG1 ILE A 23 -27.260 26.600 -5.771 1.00 73.22 C ATOM 395 CG2 ILE A 23 -24.830 25.994 -5.906 1.00 43.11 C ATOM 396 CD1 ILE A 23 -28.485 26.195 -4.981 1.00 70.32 C ATOM 0 H ILE A 23 -26.087 26.468 -8.429 1.00 71.04 H new ATOM 0 HA ILE A 23 -26.045 23.761 -7.273 1.00 45.54 H new ATOM 0 HB ILE A 23 -26.386 24.743 -5.157 1.00 13.34 H new ATOM 0 HG12 ILE A 23 -26.767 27.428 -5.262 1.00 73.22 H new ATOM 0 HG13 ILE A 23 -27.573 26.968 -6.748 1.00 73.22 H new ATOM 0 HG21 ILE A 23 -24.668 26.497 -4.952 1.00 43.11 H new ATOM 0 HG22 ILE A 23 -24.128 25.165 -6.003 1.00 43.11 H new ATOM 0 HG23 ILE A 23 -24.671 26.701 -6.720 1.00 43.11 H new ATOM 0 HD11 ILE A 23 -29.154 27.050 -4.883 1.00 70.32 H new ATOM 0 HD12 ILE A 23 -29.002 25.388 -5.500 1.00 70.32 H new ATOM 0 HD13 ILE A 23 -28.183 25.855 -3.990 1.00 70.32 H new ATOM 408 N VAL A 24 -28.568 23.517 -6.974 1.00 11.14 N ATOM 409 CA VAL A 24 -29.997 23.255 -7.097 1.00 30.41 C ATOM 410 C VAL A 24 -30.586 22.785 -5.771 1.00 40.53 C ATOM 411 O VAL A 24 -30.138 21.792 -5.197 1.00 41.42 O ATOM 412 CB VAL A 24 -30.282 22.194 -8.177 1.00 24.33 C ATOM 413 CG1 VAL A 24 -31.590 22.496 -8.891 1.00 33.25 C ATOM 414 CG2 VAL A 24 -29.129 22.120 -9.167 1.00 73.40 C ATOM 0 H VAL A 24 -28.054 22.811 -6.448 1.00 11.14 H new ATOM 0 HA VAL A 24 -30.467 24.194 -7.388 1.00 30.41 H new ATOM 0 HB VAL A 24 -30.378 21.223 -7.692 1.00 24.33 H new ATOM 0 HG11 VAL A 24 -31.774 21.736 -9.650 1.00 33.25 H new ATOM 0 HG12 VAL A 24 -32.407 22.494 -8.170 1.00 33.25 H new ATOM 0 HG13 VAL A 24 -31.528 23.475 -9.366 1.00 33.25 H new ATOM 0 HG21 VAL A 24 -29.347 21.366 -9.923 1.00 73.40 H new ATOM 0 HG22 VAL A 24 -29.000 23.089 -9.648 1.00 73.40 H new ATOM 0 HG23 VAL A 24 -28.213 21.852 -8.640 1.00 73.40 H new ATOM 424 N HIS A 25 -31.594 23.506 -5.290 1.00 1.12 N ATOM 425 CA HIS A 25 -32.246 23.163 -4.031 1.00 71.01 C ATOM 426 C HIS A 25 -31.229 23.084 -2.896 1.00 74.02 C ATOM 427 O HIS A 25 -31.450 22.399 -1.898 1.00 51.23 O ATOM 428 CB HIS A 25 -32.986 21.831 -4.162 1.00 50.41 C ATOM 429 CG HIS A 25 -34.406 21.886 -3.689 1.00 51.22 C ATOM 430 ND1 HIS A 25 -35.461 21.373 -4.414 1.00 21.54 N ATOM 431 CD2 HIS A 25 -34.943 22.397 -2.556 1.00 62.33 C ATOM 432 CE1 HIS A 25 -36.585 21.566 -3.748 1.00 13.23 C ATOM 433 NE2 HIS A 25 -36.298 22.185 -2.617 1.00 14.42 N ATOM 0 H HIS A 25 -31.977 24.331 -5.753 1.00 1.12 H new ATOM 0 HA HIS A 25 -32.965 23.948 -3.797 1.00 71.01 H new ATOM 0 HB2 HIS A 25 -32.971 21.518 -5.206 1.00 50.41 H new ATOM 0 HB3 HIS A 25 -32.451 21.070 -3.593 1.00 50.41 H new ATOM 0 HD2 HIS A 25 -34.406 22.881 -1.754 1.00 62.33 H new ATOM 0 HE1 HIS A 25 -37.571 21.268 -4.073 1.00 13.23 H new ATOM 0 HE2 HIS A 25 -36.974 22.461 -1.904 1.00 14.42 H new ATOM 441 N GLY A 26 -30.114 23.789 -3.057 1.00 42.41 N ATOM 442 CA GLY A 26 -29.080 23.784 -2.039 1.00 3.51 C ATOM 443 C GLY A 26 -27.996 22.763 -2.319 1.00 24.44 C ATOM 444 O GLY A 26 -27.180 22.460 -1.449 1.00 63.11 O ATOM 0 H GLY A 26 -29.908 24.364 -3.874 1.00 42.41 H new ATOM 0 HA2 GLY A 26 -28.633 24.776 -1.975 1.00 3.51 H new ATOM 0 HA3 GLY A 26 -29.531 23.574 -1.069 1.00 3.51 H new ATOM 448 N ASN A 27 -27.988 22.228 -3.536 1.00 2.45 N ATOM 449 CA ASN A 27 -26.997 21.232 -3.927 1.00 1.43 C ATOM 450 C ASN A 27 -26.091 21.770 -5.031 1.00 14.35 C ATOM 451 O ASN A 27 -26.499 21.876 -6.188 1.00 31.22 O ATOM 452 CB ASN A 27 -27.689 19.952 -4.398 1.00 60.12 C ATOM 453 CG ASN A 27 -28.591 19.357 -3.334 1.00 62.31 C ATOM 454 OD1 ASN A 27 -28.432 19.632 -2.145 1.00 0.52 O ATOM 455 ND2 ASN A 27 -29.544 18.535 -3.758 1.00 42.04 N ATOM 0 H ASN A 27 -28.657 22.468 -4.268 1.00 2.45 H new ATOM 0 HA ASN A 27 -26.383 21.005 -3.056 1.00 1.43 H new ATOM 0 HB2 ASN A 27 -28.277 20.167 -5.290 1.00 60.12 H new ATOM 0 HB3 ASN A 27 -26.935 19.218 -4.683 1.00 60.12 H new ATOM 0 HD21 ASN A 27 -30.181 18.103 -3.088 1.00 42.04 H new ATOM 0 HD22 ASN A 27 -29.639 18.335 -4.754 1.00 42.04 H new ATOM 462 N THR A 28 -24.859 22.109 -4.665 1.00 1.21 N ATOM 463 CA THR A 28 -23.895 22.637 -5.623 1.00 33.53 C ATOM 464 C THR A 28 -23.496 21.576 -6.642 1.00 31.41 C ATOM 465 O THR A 28 -23.407 20.392 -6.317 1.00 24.30 O ATOM 466 CB THR A 28 -22.629 23.156 -4.917 1.00 3.50 C ATOM 467 OG1 THR A 28 -22.978 23.766 -3.669 1.00 53.24 O ATOM 468 CG2 THR A 28 -21.896 24.163 -5.792 1.00 15.04 C ATOM 0 H THR A 28 -24.505 22.027 -3.712 1.00 1.21 H new ATOM 0 HA THR A 28 -24.381 23.466 -6.137 1.00 33.53 H new ATOM 0 HB THR A 28 -21.969 22.308 -4.734 1.00 3.50 H new ATOM 0 HG1 THR A 28 -22.167 24.092 -3.226 1.00 53.24 H new ATOM 0 HG21 THR A 28 -21.005 24.516 -5.273 1.00 15.04 H new ATOM 0 HG22 THR A 28 -21.605 23.687 -6.729 1.00 15.04 H new ATOM 0 HG23 THR A 28 -22.552 25.008 -6.002 1.00 15.04 H new ATOM 476 N SER A 29 -23.257 22.007 -7.876 1.00 4.41 N ATOM 477 CA SER A 29 -22.870 21.093 -8.944 1.00 44.31 C ATOM 478 C SER A 29 -21.825 21.732 -9.854 1.00 40.31 C ATOM 479 O SER A 29 -22.006 22.851 -10.336 1.00 23.04 O ATOM 480 CB SER A 29 -24.095 20.685 -9.764 1.00 12.03 C ATOM 481 OG SER A 29 -25.173 20.317 -8.921 1.00 12.54 O ATOM 0 H SER A 29 -23.325 22.984 -8.161 1.00 4.41 H new ATOM 0 HA SER A 29 -22.435 20.204 -8.488 1.00 44.31 H new ATOM 0 HB2 SER A 29 -24.398 21.511 -10.407 1.00 12.03 H new ATOM 0 HB3 SER A 29 -23.838 19.851 -10.417 1.00 12.03 H new ATOM 0 HG SER A 29 -25.944 20.062 -9.469 1.00 12.54 H new ATOM 487 N TYR A 30 -20.732 21.014 -10.085 1.00 30.40 N ATOM 488 CA TYR A 30 -19.656 21.510 -10.935 1.00 13.01 C ATOM 489 C TYR A 30 -19.636 20.777 -12.273 1.00 33.34 C ATOM 490 O TYR A 30 -19.458 19.559 -12.324 1.00 73.02 O ATOM 491 CB TYR A 30 -18.307 21.349 -10.232 1.00 72.12 C ATOM 492 CG TYR A 30 -17.992 22.466 -9.264 1.00 2.34 C ATOM 493 CD1 TYR A 30 -18.905 22.843 -8.286 1.00 40.34 C ATOM 494 CD2 TYR A 30 -16.781 23.146 -9.326 1.00 35.40 C ATOM 495 CE1 TYR A 30 -18.622 23.864 -7.400 1.00 4.13 C ATOM 496 CE2 TYR A 30 -16.489 24.166 -8.443 1.00 0.55 C ATOM 497 CZ TYR A 30 -17.412 24.522 -7.481 1.00 51.24 C ATOM 498 OH TYR A 30 -17.125 25.540 -6.600 1.00 71.44 O ATOM 0 H TYR A 30 -20.567 20.086 -9.695 1.00 30.40 H new ATOM 0 HA TYR A 30 -19.836 22.568 -11.124 1.00 13.01 H new ATOM 0 HB2 TYR A 30 -18.298 20.401 -9.695 1.00 72.12 H new ATOM 0 HB3 TYR A 30 -17.519 21.298 -10.983 1.00 72.12 H new ATOM 0 HD1 TYR A 30 -19.852 22.329 -8.218 1.00 40.34 H new ATOM 0 HD2 TYR A 30 -16.056 22.871 -10.078 1.00 35.40 H new ATOM 0 HE1 TYR A 30 -19.344 24.146 -6.648 1.00 4.13 H new ATOM 0 HE2 TYR A 30 -15.543 24.683 -8.505 1.00 0.55 H new ATOM 0 HH TYR A 30 -17.541 25.350 -5.733 1.00 71.44 H new ATOM 508 N LEU A 31 -19.820 21.527 -13.354 1.00 23.25 N ATOM 509 CA LEU A 31 -19.822 20.950 -14.694 1.00 14.15 C ATOM 510 C LEU A 31 -18.440 21.047 -15.331 1.00 21.13 C ATOM 511 O LEU A 31 -17.967 22.138 -15.652 1.00 35.55 O ATOM 512 CB LEU A 31 -20.853 21.660 -15.573 1.00 61.15 C ATOM 513 CG LEU A 31 -21.124 21.022 -16.937 1.00 14.35 C ATOM 514 CD1 LEU A 31 -21.386 19.532 -16.786 1.00 33.20 C ATOM 515 CD2 LEU A 31 -22.299 21.706 -17.620 1.00 75.34 C ATOM 0 H LEU A 31 -19.970 22.536 -13.329 1.00 23.25 H new ATOM 0 HA LEU A 31 -20.089 19.896 -14.610 1.00 14.15 H new ATOM 0 HB2 LEU A 31 -21.794 21.712 -15.025 1.00 61.15 H new ATOM 0 HB3 LEU A 31 -20.520 22.685 -15.733 1.00 61.15 H new ATOM 0 HG LEU A 31 -20.240 21.153 -17.561 1.00 14.35 H new ATOM 0 HD11 LEU A 31 -21.577 19.095 -17.766 1.00 33.20 H new ATOM 0 HD12 LEU A 31 -20.515 19.053 -16.338 1.00 33.20 H new ATOM 0 HD13 LEU A 31 -22.254 19.378 -16.145 1.00 33.20 H new ATOM 0 HD21 LEU A 31 -22.478 21.240 -18.589 1.00 75.34 H new ATOM 0 HD22 LEU A 31 -23.189 21.606 -16.999 1.00 75.34 H new ATOM 0 HD23 LEU A 31 -22.072 22.763 -17.762 1.00 75.34 H new ATOM 527 N VAL A 32 -17.796 19.898 -15.513 1.00 53.23 N ATOM 528 CA VAL A 32 -16.469 19.853 -16.115 1.00 73.35 C ATOM 529 C VAL A 32 -16.476 19.028 -17.398 1.00 24.14 C ATOM 530 O VAL A 32 -17.125 17.985 -17.475 1.00 61.40 O ATOM 531 CB VAL A 32 -15.432 19.261 -15.143 1.00 4.51 C ATOM 532 CG1 VAL A 32 -15.668 17.771 -14.951 1.00 1.23 C ATOM 533 CG2 VAL A 32 -14.020 19.525 -15.645 1.00 52.42 C ATOM 0 H VAL A 32 -18.172 18.986 -15.252 1.00 53.23 H new ATOM 0 HA VAL A 32 -16.192 20.881 -16.348 1.00 73.35 H new ATOM 0 HB VAL A 32 -15.547 19.750 -14.176 1.00 4.51 H new ATOM 0 HG11 VAL A 32 -14.925 17.371 -14.261 1.00 1.23 H new ATOM 0 HG12 VAL A 32 -16.666 17.610 -14.543 1.00 1.23 H new ATOM 0 HG13 VAL A 32 -15.582 17.262 -15.911 1.00 1.23 H new ATOM 0 HG21 VAL A 32 -13.300 19.100 -14.946 1.00 52.42 H new ATOM 0 HG22 VAL A 32 -13.890 19.065 -16.625 1.00 52.42 H new ATOM 0 HG23 VAL A 32 -13.857 20.600 -15.725 1.00 52.42 H new ATOM 543 N LYS A 33 -15.748 19.502 -18.403 1.00 62.01 N ATOM 544 CA LYS A 33 -15.667 18.809 -19.683 1.00 63.51 C ATOM 545 C LYS A 33 -14.523 17.799 -19.683 1.00 75.25 C ATOM 546 O LYS A 33 -13.946 17.501 -18.638 1.00 32.31 O ATOM 547 CB LYS A 33 -15.473 19.814 -20.820 1.00 52.41 C ATOM 548 CG LYS A 33 -14.241 20.687 -20.657 1.00 11.43 C ATOM 549 CD LYS A 33 -14.113 21.689 -21.792 1.00 65.23 C ATOM 550 CE LYS A 33 -14.915 22.951 -21.516 1.00 3.22 C ATOM 551 NZ LYS A 33 -14.822 23.924 -22.639 1.00 54.23 N ATOM 0 H LYS A 33 -15.205 20.364 -18.356 1.00 62.01 H new ATOM 0 HA LYS A 33 -16.603 18.272 -19.837 1.00 63.51 H new ATOM 0 HB2 LYS A 33 -15.402 19.273 -21.764 1.00 52.41 H new ATOM 0 HB3 LYS A 33 -16.354 20.452 -20.884 1.00 52.41 H new ATOM 0 HG2 LYS A 33 -14.293 21.218 -19.706 1.00 11.43 H new ATOM 0 HG3 LYS A 33 -13.351 20.059 -20.623 1.00 11.43 H new ATOM 0 HD2 LYS A 33 -13.064 21.948 -21.934 1.00 65.23 H new ATOM 0 HD3 LYS A 33 -14.457 21.234 -22.721 1.00 65.23 H new ATOM 0 HE2 LYS A 33 -15.960 22.688 -21.349 1.00 3.22 H new ATOM 0 HE3 LYS A 33 -14.553 23.418 -20.600 1.00 3.22 H new ATOM 0 HZ1 LYS A 33 -15.143 24.859 -22.316 1.00 54.23 H new ATOM 0 HZ2 LYS A 33 -13.835 23.989 -22.961 1.00 54.23 H new ATOM 0 HZ3 LYS A 33 -15.423 23.605 -23.425 1.00 54.23 H new ATOM 565 N TRP A 34 -14.201 17.278 -20.862 1.00 33.43 N ATOM 566 CA TRP A 34 -13.125 16.302 -20.997 1.00 54.22 C ATOM 567 C TRP A 34 -12.207 16.663 -22.159 1.00 62.04 C ATOM 568 O TRP A 34 -12.500 16.356 -23.315 1.00 35.31 O ATOM 569 CB TRP A 34 -13.703 14.901 -21.203 1.00 63.23 C ATOM 570 CG TRP A 34 -15.053 14.717 -20.580 1.00 53.21 C ATOM 571 CD1 TRP A 34 -15.350 14.737 -19.247 1.00 74.52 C ATOM 572 CD2 TRP A 34 -16.289 14.485 -21.265 1.00 62.52 C ATOM 573 NE1 TRP A 34 -16.696 14.530 -19.063 1.00 32.25 N ATOM 574 CE2 TRP A 34 -17.294 14.373 -20.285 1.00 12.41 C ATOM 575 CE3 TRP A 34 -16.644 14.361 -22.611 1.00 41.41 C ATOM 576 CZ2 TRP A 34 -18.628 14.144 -20.610 1.00 74.12 C ATOM 577 CZ3 TRP A 34 -17.968 14.133 -22.932 1.00 55.43 C ATOM 578 CH2 TRP A 34 -18.948 14.027 -21.936 1.00 2.43 C ATOM 0 H TRP A 34 -14.669 17.515 -21.737 1.00 33.43 H new ATOM 0 HA TRP A 34 -12.539 16.314 -20.078 1.00 54.22 H new ATOM 0 HB2 TRP A 34 -13.774 14.699 -22.272 1.00 63.23 H new ATOM 0 HB3 TRP A 34 -13.015 14.167 -20.784 1.00 63.23 H new ATOM 0 HD1 TRP A 34 -14.633 14.893 -18.455 1.00 74.52 H new ATOM 0 HE1 TRP A 34 -17.173 14.498 -18.162 1.00 32.25 H new ATOM 0 HE3 TRP A 34 -15.897 14.442 -23.386 1.00 41.41 H new ATOM 0 HZ2 TRP A 34 -19.384 14.062 -19.843 1.00 74.12 H new ATOM 0 HZ3 TRP A 34 -18.253 14.035 -23.969 1.00 55.43 H new ATOM 0 HH2 TRP A 34 -19.975 13.850 -22.220 1.00 2.43 H new ATOM 589 N LYS A 35 -11.093 17.317 -21.847 1.00 20.53 N ATOM 590 CA LYS A 35 -10.130 17.718 -22.865 1.00 4.33 C ATOM 591 C LYS A 35 -10.823 18.442 -24.015 1.00 0.05 C ATOM 592 O LYS A 35 -10.438 18.296 -25.174 1.00 11.32 O ATOM 593 CB LYS A 35 -9.379 16.495 -23.397 1.00 2.54 C ATOM 594 CG LYS A 35 -7.888 16.726 -23.573 1.00 40.42 C ATOM 595 CD LYS A 35 -7.450 16.473 -25.006 1.00 53.21 C ATOM 596 CE LYS A 35 -5.977 16.101 -25.082 1.00 15.24 C ATOM 597 NZ LYS A 35 -5.402 16.386 -26.425 1.00 5.21 N ATOM 0 H LYS A 35 -10.835 17.581 -20.896 1.00 20.53 H new ATOM 0 HA LYS A 35 -9.417 18.402 -22.405 1.00 4.33 H new ATOM 0 HB2 LYS A 35 -9.531 15.660 -22.713 1.00 2.54 H new ATOM 0 HB3 LYS A 35 -9.809 16.204 -24.355 1.00 2.54 H new ATOM 0 HG2 LYS A 35 -7.642 17.750 -23.292 1.00 40.42 H new ATOM 0 HG3 LYS A 35 -7.335 16.069 -22.901 1.00 40.42 H new ATOM 0 HD2 LYS A 35 -8.051 15.671 -25.435 1.00 53.21 H new ATOM 0 HD3 LYS A 35 -7.633 17.365 -25.606 1.00 53.21 H new ATOM 0 HE2 LYS A 35 -5.423 16.655 -24.325 1.00 15.24 H new ATOM 0 HE3 LYS A 35 -5.858 15.042 -24.853 1.00 15.24 H new ATOM 0 HZ1 LYS A 35 -4.397 16.119 -26.436 1.00 5.21 H new ATOM 0 HZ2 LYS A 35 -5.914 15.838 -27.145 1.00 5.21 H new ATOM 0 HZ3 LYS A 35 -5.493 17.401 -26.633 1.00 5.21 H new ATOM 611 N ASN A 36 -11.846 19.223 -23.685 1.00 14.33 N ATOM 612 CA ASN A 36 -12.593 19.971 -24.690 1.00 64.44 C ATOM 613 C ASN A 36 -13.221 19.029 -25.713 1.00 34.44 C ATOM 614 O ASN A 36 -13.298 19.346 -26.900 1.00 30.21 O ATOM 615 CB ASN A 36 -11.675 20.970 -25.398 1.00 14.11 C ATOM 616 CG ASN A 36 -11.544 22.274 -24.635 1.00 45.21 C ATOM 617 OD1 ASN A 36 -12.533 22.963 -24.386 1.00 1.21 O ATOM 618 ND2 ASN A 36 -10.317 22.619 -24.261 1.00 30.14 N ATOM 0 H ASN A 36 -12.177 19.355 -22.729 1.00 14.33 H new ATOM 0 HA ASN A 36 -13.391 20.515 -24.184 1.00 64.44 H new ATOM 0 HB2 ASN A 36 -10.688 20.526 -25.525 1.00 14.11 H new ATOM 0 HB3 ASN A 36 -12.064 21.173 -26.396 1.00 14.11 H new ATOM 0 HD21 ASN A 36 -10.166 23.486 -23.746 1.00 30.14 H new ATOM 0 HD22 ASN A 36 -9.526 22.017 -24.489 1.00 30.14 H new ATOM 625 N TYR A 37 -13.670 17.870 -25.243 1.00 55.02 N ATOM 626 CA TYR A 37 -14.291 16.881 -26.116 1.00 72.31 C ATOM 627 C TYR A 37 -15.727 17.274 -26.451 1.00 45.14 C ATOM 628 O TYR A 37 -16.077 17.454 -27.618 1.00 24.32 O ATOM 629 CB TYR A 37 -14.270 15.502 -25.455 1.00 22.51 C ATOM 630 CG TYR A 37 -15.097 14.467 -26.184 1.00 52.45 C ATOM 631 CD1 TYR A 37 -16.455 14.325 -25.924 1.00 45.24 C ATOM 632 CD2 TYR A 37 -14.521 13.633 -27.135 1.00 14.12 C ATOM 633 CE1 TYR A 37 -17.214 13.381 -26.588 1.00 41.21 C ATOM 634 CE2 TYR A 37 -15.273 12.687 -27.804 1.00 54.25 C ATOM 635 CZ TYR A 37 -16.619 12.565 -27.527 1.00 60.22 C ATOM 636 OH TYR A 37 -17.372 11.624 -28.192 1.00 13.25 O ATOM 0 H TYR A 37 -13.615 17.593 -24.263 1.00 55.02 H new ATOM 0 HA TYR A 37 -13.718 16.842 -27.043 1.00 72.31 H new ATOM 0 HB2 TYR A 37 -13.239 15.154 -25.394 1.00 22.51 H new ATOM 0 HB3 TYR A 37 -14.637 15.593 -24.433 1.00 22.51 H new ATOM 0 HD1 TYR A 37 -16.925 14.964 -25.190 1.00 45.24 H new ATOM 0 HD2 TYR A 37 -13.468 13.726 -27.355 1.00 14.12 H new ATOM 0 HE1 TYR A 37 -18.268 13.283 -26.373 1.00 41.21 H new ATOM 0 HE2 TYR A 37 -14.810 12.046 -28.540 1.00 54.25 H new ATOM 0 HH TYR A 37 -16.802 11.133 -28.820 1.00 13.25 H new ATOM 646 N SER A 38 -16.553 17.407 -25.419 1.00 73.11 N ATOM 647 CA SER A 38 -17.952 17.776 -25.603 1.00 10.14 C ATOM 648 C SER A 38 -18.129 19.290 -25.528 1.00 64.33 C ATOM 649 O SER A 38 -18.680 19.907 -26.439 1.00 72.24 O ATOM 650 CB SER A 38 -18.824 17.097 -24.545 1.00 23.05 C ATOM 651 OG SER A 38 -19.270 15.828 -24.989 1.00 63.43 O ATOM 0 H SER A 38 -16.278 17.265 -24.447 1.00 73.11 H new ATOM 0 HA SER A 38 -18.264 17.439 -26.592 1.00 10.14 H new ATOM 0 HB2 SER A 38 -18.258 16.984 -23.621 1.00 23.05 H new ATOM 0 HB3 SER A 38 -19.683 17.728 -24.317 1.00 23.05 H new ATOM 0 HG SER A 38 -19.286 15.204 -24.233 1.00 63.43 H new ATOM 657 N SER A 39 -17.656 19.881 -24.436 1.00 11.31 N ATOM 658 CA SER A 39 -17.765 21.322 -24.239 1.00 45.12 C ATOM 659 C SER A 39 -19.186 21.711 -23.846 1.00 13.22 C ATOM 660 O SER A 39 -19.403 22.376 -22.832 1.00 72.32 O ATOM 661 CB SER A 39 -17.354 22.064 -25.513 1.00 14.34 C ATOM 662 OG SER A 39 -16.357 21.349 -26.221 1.00 4.33 O ATOM 0 H SER A 39 -17.194 19.385 -23.674 1.00 11.31 H new ATOM 0 HA SER A 39 -17.093 21.605 -23.429 1.00 45.12 H new ATOM 0 HB2 SER A 39 -18.226 22.207 -26.151 1.00 14.34 H new ATOM 0 HB3 SER A 39 -16.981 23.055 -25.256 1.00 14.34 H new ATOM 0 HG SER A 39 -16.113 21.843 -27.031 1.00 4.33 H new ATOM 668 N LYS A 40 -20.153 21.292 -24.655 1.00 40.34 N ATOM 669 CA LYS A 40 -21.555 21.594 -24.394 1.00 13.31 C ATOM 670 C LYS A 40 -22.177 20.542 -23.482 1.00 15.14 C ATOM 671 O LYS A 40 -23.087 20.839 -22.706 1.00 64.41 O ATOM 672 CB LYS A 40 -22.336 21.671 -25.708 1.00 65.11 C ATOM 673 CG LYS A 40 -22.332 20.371 -26.494 1.00 43.33 C ATOM 674 CD LYS A 40 -23.448 19.444 -26.044 1.00 24.43 C ATOM 675 CE LYS A 40 -24.516 19.295 -27.116 1.00 62.21 C ATOM 676 NZ LYS A 40 -25.701 18.542 -26.618 1.00 45.32 N ATOM 0 H LYS A 40 -19.991 20.741 -25.498 1.00 40.34 H new ATOM 0 HA LYS A 40 -21.605 22.560 -23.892 1.00 13.31 H new ATOM 0 HB2 LYS A 40 -23.367 21.953 -25.493 1.00 65.11 H new ATOM 0 HB3 LYS A 40 -21.912 22.462 -26.327 1.00 65.11 H new ATOM 0 HG2 LYS A 40 -22.443 20.587 -27.557 1.00 43.33 H new ATOM 0 HG3 LYS A 40 -21.371 19.872 -26.369 1.00 43.33 H new ATOM 0 HD2 LYS A 40 -23.034 18.465 -25.803 1.00 24.43 H new ATOM 0 HD3 LYS A 40 -23.899 19.833 -25.131 1.00 24.43 H new ATOM 0 HE2 LYS A 40 -24.830 20.282 -27.456 1.00 62.21 H new ATOM 0 HE3 LYS A 40 -24.095 18.780 -27.979 1.00 62.21 H new ATOM 0 HZ1 LYS A 40 -26.163 18.056 -27.413 1.00 45.32 H new ATOM 0 HZ2 LYS A 40 -25.396 17.840 -25.914 1.00 45.32 H new ATOM 0 HZ3 LYS A 40 -26.373 19.203 -26.179 1.00 45.32 H new ATOM 690 N ASP A 41 -21.681 19.314 -23.579 1.00 32.34 N ATOM 691 CA ASP A 41 -22.187 18.218 -22.760 1.00 21.11 C ATOM 692 C ASP A 41 -21.492 18.189 -21.402 1.00 73.41 C ATOM 693 O ASP A 41 -22.096 18.505 -20.378 1.00 52.32 O ATOM 694 CB ASP A 41 -21.987 16.882 -23.478 1.00 11.31 C ATOM 695 CG ASP A 41 -23.286 16.122 -23.659 1.00 12.04 C ATOM 696 OD1 ASP A 41 -24.120 16.560 -24.478 1.00 72.23 O ATOM 697 OD2 ASP A 41 -23.469 15.090 -22.980 1.00 33.33 O ATOM 0 H ASP A 41 -20.929 19.052 -24.216 1.00 32.34 H new ATOM 0 HA ASP A 41 -23.253 18.379 -22.599 1.00 21.11 H new ATOM 0 HB2 ASP A 41 -21.535 17.061 -24.454 1.00 11.31 H new ATOM 0 HB3 ASP A 41 -21.287 16.269 -22.910 1.00 11.31 H new ATOM 702 N ASN A 42 -20.220 17.805 -21.402 1.00 42.12 N ATOM 703 CA ASN A 42 -19.443 17.733 -20.170 1.00 32.42 C ATOM 704 C ASN A 42 -20.141 16.851 -19.139 1.00 25.44 C ATOM 705 O ASN A 42 -21.183 16.256 -19.416 1.00 11.52 O ATOM 706 CB ASN A 42 -19.227 19.134 -19.596 1.00 2.23 C ATOM 707 CG ASN A 42 -19.191 20.201 -20.673 1.00 23.00 C ATOM 708 OD1 ASN A 42 -18.630 19.994 -21.749 1.00 62.51 O ATOM 709 ND2 ASN A 42 -19.790 21.351 -20.387 1.00 75.21 N ATOM 0 H ASN A 42 -19.705 17.539 -22.241 1.00 42.12 H new ATOM 0 HA ASN A 42 -18.475 17.291 -20.405 1.00 32.42 H new ATOM 0 HB2 ASN A 42 -20.026 19.361 -18.890 1.00 2.23 H new ATOM 0 HB3 ASN A 42 -18.292 19.154 -19.037 1.00 2.23 H new ATOM 0 HD21 ASN A 42 -19.797 22.106 -21.072 1.00 75.21 H new ATOM 0 HD22 ASN A 42 -20.243 21.479 -19.482 1.00 75.21 H new ATOM 716 N THR A 43 -19.558 16.770 -17.946 1.00 71.12 N ATOM 717 CA THR A 43 -20.122 15.961 -16.873 1.00 71.32 C ATOM 718 C THR A 43 -20.401 16.806 -15.636 1.00 32.13 C ATOM 719 O THR A 43 -19.650 17.729 -15.321 1.00 31.02 O ATOM 720 CB THR A 43 -19.182 14.803 -16.489 1.00 5.02 C ATOM 721 OG1 THR A 43 -17.818 15.196 -16.679 1.00 62.25 O ATOM 722 CG2 THR A 43 -19.479 13.565 -17.321 1.00 71.11 C ATOM 0 H THR A 43 -18.695 17.255 -17.699 1.00 71.12 H new ATOM 0 HA THR A 43 -21.059 15.549 -17.247 1.00 71.32 H new ATOM 0 HB THR A 43 -19.348 14.563 -15.439 1.00 5.02 H new ATOM 0 HG1 THR A 43 -17.225 14.472 -16.387 1.00 62.25 H new ATOM 0 HG21 THR A 43 -18.802 12.761 -17.031 1.00 71.11 H new ATOM 0 HG22 THR A 43 -20.509 13.251 -17.151 1.00 71.11 H new ATOM 0 HG23 THR A 43 -19.339 13.794 -18.377 1.00 71.11 H new ATOM 730 N TRP A 44 -21.484 16.484 -14.938 1.00 13.42 N ATOM 731 CA TRP A 44 -21.862 17.215 -13.733 1.00 62.11 C ATOM 732 C TRP A 44 -21.413 16.469 -12.481 1.00 74.12 C ATOM 733 O TRP A 44 -21.817 15.330 -12.249 1.00 55.12 O ATOM 734 CB TRP A 44 -23.375 17.433 -13.697 1.00 73.13 C ATOM 735 CG TRP A 44 -23.831 18.575 -14.554 1.00 13.34 C ATOM 736 CD1 TRP A 44 -24.333 18.500 -15.821 1.00 73.24 C ATOM 737 CD2 TRP A 44 -23.825 19.964 -14.204 1.00 60.24 C ATOM 738 NE1 TRP A 44 -24.639 19.758 -16.282 1.00 34.15 N ATOM 739 CE2 TRP A 44 -24.338 20.673 -15.308 1.00 43.22 C ATOM 740 CE3 TRP A 44 -23.438 20.677 -13.066 1.00 73.44 C ATOM 741 CZ2 TRP A 44 -24.471 22.059 -15.305 1.00 11.10 C ATOM 742 CZ3 TRP A 44 -23.571 22.052 -13.065 1.00 11.10 C ATOM 743 CH2 TRP A 44 -24.085 22.732 -14.178 1.00 24.44 C ATOM 0 H TRP A 44 -22.116 15.722 -15.185 1.00 13.42 H new ATOM 0 HA TRP A 44 -21.363 18.184 -13.754 1.00 62.11 H new ATOM 0 HB2 TRP A 44 -23.874 16.521 -14.024 1.00 73.13 H new ATOM 0 HB3 TRP A 44 -23.684 17.614 -12.668 1.00 73.13 H new ATOM 0 HD1 TRP A 44 -24.470 17.586 -16.380 1.00 73.24 H new ATOM 0 HE1 TRP A 44 -25.027 19.975 -17.200 1.00 34.15 H new ATOM 0 HE3 TRP A 44 -23.042 20.162 -12.203 1.00 73.44 H new ATOM 0 HZ2 TRP A 44 -24.865 22.584 -16.162 1.00 11.10 H new ATOM 0 HZ3 TRP A 44 -23.274 22.613 -12.191 1.00 11.10 H new ATOM 0 HH2 TRP A 44 -24.178 23.807 -14.145 1.00 24.44 H new ATOM 754 N GLU A 45 -20.577 17.119 -11.678 1.00 64.41 N ATOM 755 CA GLU A 45 -20.074 16.514 -10.450 1.00 2.41 C ATOM 756 C GLU A 45 -20.242 17.464 -9.268 1.00 14.44 C ATOM 757 O GLU A 45 -19.783 18.607 -9.303 1.00 32.40 O ATOM 758 CB GLU A 45 -18.600 16.136 -10.608 1.00 23.21 C ATOM 759 CG GLU A 45 -18.374 14.929 -11.504 1.00 2.35 C ATOM 760 CD GLU A 45 -17.640 13.807 -10.796 1.00 63.10 C ATOM 761 OE1 GLU A 45 -17.859 13.630 -9.579 1.00 63.02 O ATOM 762 OE2 GLU A 45 -16.847 13.106 -11.458 1.00 65.13 O ATOM 0 H GLU A 45 -20.234 18.063 -11.855 1.00 64.41 H new ATOM 0 HA GLU A 45 -20.654 15.612 -10.255 1.00 2.41 H new ATOM 0 HB2 GLU A 45 -18.057 16.988 -11.017 1.00 23.21 H new ATOM 0 HB3 GLU A 45 -18.178 15.931 -9.624 1.00 23.21 H new ATOM 0 HG2 GLU A 45 -19.336 14.561 -11.861 1.00 2.35 H new ATOM 0 HG3 GLU A 45 -17.804 15.234 -12.382 1.00 2.35 H new ATOM 769 N THR A 46 -20.905 16.984 -8.220 1.00 13.20 N ATOM 770 CA THR A 46 -21.137 17.789 -7.028 1.00 1.55 C ATOM 771 C THR A 46 -19.873 18.535 -6.613 1.00 71.53 C ATOM 772 O THR A 46 -18.760 18.080 -6.876 1.00 52.44 O ATOM 773 CB THR A 46 -21.618 16.922 -5.849 1.00 4.33 C ATOM 774 OG1 THR A 46 -21.234 15.558 -6.056 1.00 12.34 O ATOM 775 CG2 THR A 46 -23.128 17.012 -5.692 1.00 31.32 C ATOM 0 H THR A 46 -21.291 16.041 -8.173 1.00 13.20 H new ATOM 0 HA THR A 46 -21.915 18.510 -7.280 1.00 1.55 H new ATOM 0 HB THR A 46 -21.152 17.296 -4.937 1.00 4.33 H new ATOM 0 HG1 THR A 46 -21.649 14.994 -5.371 1.00 12.34 H new ATOM 0 HG21 THR A 46 -23.444 16.392 -4.853 1.00 31.32 H new ATOM 0 HG22 THR A 46 -23.413 18.047 -5.505 1.00 31.32 H new ATOM 0 HG23 THR A 46 -23.610 16.662 -6.605 1.00 31.32 H new ATOM 783 N GLU A 47 -20.053 19.680 -5.964 1.00 12.34 N ATOM 784 CA GLU A 47 -18.926 20.488 -5.513 1.00 65.34 C ATOM 785 C GLU A 47 -18.034 19.695 -4.561 1.00 74.05 C ATOM 786 O GLU A 47 -16.852 19.999 -4.403 1.00 10.33 O ATOM 787 CB GLU A 47 -19.423 21.759 -4.823 1.00 55.43 C ATOM 788 CG GLU A 47 -18.361 22.454 -3.988 1.00 14.31 C ATOM 789 CD GLU A 47 -18.861 23.742 -3.363 1.00 11.40 C ATOM 790 OE1 GLU A 47 -19.508 23.672 -2.297 1.00 20.21 O ATOM 791 OE2 GLU A 47 -18.606 24.820 -3.939 1.00 41.24 O ATOM 0 H GLU A 47 -20.968 20.069 -5.738 1.00 12.34 H new ATOM 0 HA GLU A 47 -18.339 20.765 -6.388 1.00 65.34 H new ATOM 0 HB2 GLU A 47 -19.790 22.453 -5.579 1.00 55.43 H new ATOM 0 HB3 GLU A 47 -20.269 21.508 -4.183 1.00 55.43 H new ATOM 0 HG2 GLU A 47 -18.024 21.779 -3.201 1.00 14.31 H new ATOM 0 HG3 GLU A 47 -17.496 22.670 -4.614 1.00 14.31 H new ATOM 798 N ASP A 48 -18.611 18.678 -3.931 1.00 25.25 N ATOM 799 CA ASP A 48 -17.870 17.840 -2.994 1.00 44.34 C ATOM 800 C ASP A 48 -17.359 16.578 -3.682 1.00 31.45 C ATOM 801 O ASP A 48 -16.705 15.741 -3.059 1.00 4.44 O ATOM 802 CB ASP A 48 -18.753 17.466 -1.803 1.00 4.11 C ATOM 803 CG ASP A 48 -18.371 18.215 -0.541 1.00 43.34 C ATOM 804 OD1 ASP A 48 -18.626 19.436 -0.477 1.00 24.13 O ATOM 805 OD2 ASP A 48 -17.816 17.581 0.381 1.00 52.22 O ATOM 0 H ASP A 48 -19.589 18.414 -4.052 1.00 25.25 H new ATOM 0 HA ASP A 48 -17.012 18.409 -2.635 1.00 44.34 H new ATOM 0 HB2 ASP A 48 -19.794 17.677 -2.046 1.00 4.11 H new ATOM 0 HB3 ASP A 48 -18.679 16.394 -1.622 1.00 4.11 H new ATOM 810 N ASP A 49 -17.664 16.446 -4.968 1.00 2.12 N ATOM 811 CA ASP A 49 -17.236 15.285 -5.740 1.00 41.30 C ATOM 812 C ASP A 49 -16.384 15.710 -6.932 1.00 72.23 C ATOM 813 O ASP A 49 -15.816 14.870 -7.632 1.00 15.40 O ATOM 814 CB ASP A 49 -18.451 14.491 -6.222 1.00 63.12 C ATOM 815 CG ASP A 49 -19.235 13.880 -5.077 1.00 44.14 C ATOM 816 OD1 ASP A 49 -18.953 14.230 -3.912 1.00 65.05 O ATOM 817 OD2 ASP A 49 -20.130 13.051 -5.346 1.00 43.42 O ATOM 0 H ASP A 49 -18.206 17.128 -5.498 1.00 2.12 H new ATOM 0 HA ASP A 49 -16.631 14.650 -5.092 1.00 41.30 H new ATOM 0 HB2 ASP A 49 -19.105 15.147 -6.797 1.00 63.12 H new ATOM 0 HB3 ASP A 49 -18.121 13.700 -6.895 1.00 63.12 H new ATOM 822 N ILE A 50 -16.301 17.016 -7.158 1.00 41.50 N ATOM 823 CA ILE A 50 -15.519 17.552 -8.266 1.00 23.45 C ATOM 824 C ILE A 50 -14.137 17.998 -7.798 1.00 35.30 C ATOM 825 O ILE A 50 -13.156 17.886 -8.533 1.00 12.10 O ATOM 826 CB ILE A 50 -16.231 18.742 -8.935 1.00 31.15 C ATOM 827 CG1 ILE A 50 -15.443 19.213 -10.158 1.00 52.45 C ATOM 828 CG2 ILE A 50 -16.408 19.880 -7.941 1.00 4.13 C ATOM 829 CD1 ILE A 50 -16.134 18.920 -11.472 1.00 31.33 C ATOM 0 H ILE A 50 -16.766 17.723 -6.589 1.00 41.50 H new ATOM 0 HA ILE A 50 -15.412 16.748 -8.994 1.00 23.45 H new ATOM 0 HB ILE A 50 -17.218 18.418 -9.265 1.00 31.15 H new ATOM 0 HG12 ILE A 50 -15.272 20.287 -10.078 1.00 52.45 H new ATOM 0 HG13 ILE A 50 -14.464 18.733 -10.156 1.00 52.45 H new ATOM 0 HG21 ILE A 50 -16.913 20.714 -8.429 1.00 4.13 H new ATOM 0 HG22 ILE A 50 -17.007 19.537 -7.098 1.00 4.13 H new ATOM 0 HG23 ILE A 50 -15.431 20.206 -7.584 1.00 4.13 H new ATOM 0 HD11 ILE A 50 -15.518 19.281 -12.295 1.00 31.33 H new ATOM 0 HD12 ILE A 50 -16.281 17.845 -11.574 1.00 31.33 H new ATOM 0 HD13 ILE A 50 -17.101 19.422 -11.494 1.00 31.33 H new ATOM 841 N ARG A 51 -14.069 18.502 -6.570 1.00 64.32 N ATOM 842 CA ARG A 51 -12.807 18.964 -6.004 1.00 14.13 C ATOM 843 C ARG A 51 -11.958 17.787 -5.534 1.00 71.41 C ATOM 844 O ARG A 51 -10.749 17.918 -5.337 1.00 75.51 O ATOM 845 CB ARG A 51 -13.067 19.917 -4.836 1.00 13.23 C ATOM 846 CG ARG A 51 -13.117 19.224 -3.484 1.00 1.33 C ATOM 847 CD ARG A 51 -14.352 18.348 -3.352 1.00 35.30 C ATOM 848 NE ARG A 51 -14.272 17.459 -2.196 1.00 72.20 N ATOM 849 CZ ARG A 51 -14.358 17.879 -0.939 1.00 34.43 C ATOM 850 NH1 ARG A 51 -14.527 19.167 -0.677 1.00 12.33 N ATOM 851 NH2 ARG A 51 -14.276 17.008 0.060 1.00 53.53 N ATOM 0 H ARG A 51 -14.872 18.601 -5.949 1.00 64.32 H new ATOM 0 HA ARG A 51 -12.261 19.495 -6.784 1.00 14.13 H new ATOM 0 HB2 ARG A 51 -12.285 20.676 -4.817 1.00 13.23 H new ATOM 0 HB3 ARG A 51 -14.011 20.435 -5.004 1.00 13.23 H new ATOM 0 HG2 ARG A 51 -12.222 18.615 -3.353 1.00 1.33 H new ATOM 0 HG3 ARG A 51 -13.113 19.971 -2.691 1.00 1.33 H new ATOM 0 HD2 ARG A 51 -15.236 18.979 -3.263 1.00 35.30 H new ATOM 0 HD3 ARG A 51 -14.474 17.754 -4.258 1.00 35.30 H new ATOM 0 HE ARG A 51 -14.143 16.461 -2.363 1.00 72.20 H new ATOM 0 HH11 ARG A 51 -14.591 19.839 -1.442 1.00 12.33 H new ATOM 0 HH12 ARG A 51 -14.593 19.487 0.289 1.00 12.33 H new ATOM 0 HH21 ARG A 51 -14.147 16.016 -0.138 1.00 53.53 H new ATOM 0 HH22 ARG A 51 -14.342 17.331 1.025 1.00 53.53 H new ATOM 865 N THR A 52 -12.599 16.635 -5.356 1.00 3.33 N ATOM 866 CA THR A 52 -11.904 15.435 -4.908 1.00 5.32 C ATOM 867 C THR A 52 -11.350 14.647 -6.089 1.00 73.04 C ATOM 868 O THR A 52 -10.344 13.949 -5.967 1.00 25.11 O ATOM 869 CB THR A 52 -12.832 14.522 -4.086 1.00 32.04 C ATOM 870 OG1 THR A 52 -12.110 13.372 -3.630 1.00 15.44 O ATOM 871 CG2 THR A 52 -14.029 14.080 -4.914 1.00 62.14 C ATOM 0 H THR A 52 -13.598 16.509 -5.516 1.00 3.33 H new ATOM 0 HA THR A 52 -11.079 15.765 -4.276 1.00 5.32 H new ATOM 0 HB THR A 52 -13.194 15.088 -3.227 1.00 32.04 H new ATOM 0 HG1 THR A 52 -12.707 12.797 -3.107 1.00 15.44 H new ATOM 0 HG21 THR A 52 -14.670 13.436 -4.312 1.00 62.14 H new ATOM 0 HG22 THR A 52 -14.593 14.956 -5.235 1.00 62.14 H new ATOM 0 HG23 THR A 52 -13.683 13.531 -5.790 1.00 62.14 H new ATOM 879 N LYS A 53 -12.014 14.763 -7.235 1.00 21.13 N ATOM 880 CA LYS A 53 -11.588 14.063 -8.441 1.00 21.34 C ATOM 881 C LYS A 53 -10.868 15.010 -9.394 1.00 44.43 C ATOM 882 O LYS A 53 -9.949 14.608 -10.108 1.00 44.21 O ATOM 883 CB LYS A 53 -12.794 13.434 -9.143 1.00 44.30 C ATOM 884 CG LYS A 53 -13.620 12.533 -8.243 1.00 35.05 C ATOM 885 CD LYS A 53 -15.021 12.326 -8.795 1.00 64.32 C ATOM 886 CE LYS A 53 -15.112 11.049 -9.616 1.00 73.34 C ATOM 887 NZ LYS A 53 -14.692 11.266 -11.028 1.00 60.04 N ATOM 0 H LYS A 53 -12.850 15.336 -7.353 1.00 21.13 H new ATOM 0 HA LYS A 53 -10.894 13.275 -8.148 1.00 21.34 H new ATOM 0 HB2 LYS A 53 -13.432 14.228 -9.532 1.00 44.30 H new ATOM 0 HB3 LYS A 53 -12.445 12.857 -9.999 1.00 44.30 H new ATOM 0 HG2 LYS A 53 -13.123 11.568 -8.138 1.00 35.05 H new ATOM 0 HG3 LYS A 53 -13.682 12.970 -7.246 1.00 35.05 H new ATOM 0 HD2 LYS A 53 -15.735 12.283 -7.972 1.00 64.32 H new ATOM 0 HD3 LYS A 53 -15.299 13.179 -9.414 1.00 64.32 H new ATOM 0 HE2 LYS A 53 -14.484 10.281 -9.164 1.00 73.34 H new ATOM 0 HE3 LYS A 53 -16.136 10.676 -9.595 1.00 73.34 H new ATOM 0 HZ1 LYS A 53 -14.817 10.385 -11.567 1.00 60.04 H new ATOM 0 HZ2 LYS A 53 -15.274 12.016 -11.452 1.00 60.04 H new ATOM 0 HZ3 LYS A 53 -13.691 11.548 -11.053 1.00 60.04 H new ATOM 901 N TYR A 54 -11.290 16.270 -9.400 1.00 64.11 N ATOM 902 CA TYR A 54 -10.685 17.275 -10.267 1.00 32.51 C ATOM 903 C TYR A 54 -10.301 18.519 -9.473 1.00 1.22 C ATOM 904 O TYR A 54 -10.360 19.637 -9.982 1.00 53.51 O ATOM 905 CB TYR A 54 -11.648 17.652 -11.394 1.00 11.11 C ATOM 906 CG TYR A 54 -12.376 16.469 -11.990 1.00 71.32 C ATOM 907 CD1 TYR A 54 -11.686 15.478 -12.678 1.00 4.12 C ATOM 908 CD2 TYR A 54 -13.754 16.341 -11.867 1.00 51.42 C ATOM 909 CE1 TYR A 54 -12.346 14.395 -13.225 1.00 54.30 C ATOM 910 CE2 TYR A 54 -14.423 15.261 -12.410 1.00 0.52 C ATOM 911 CZ TYR A 54 -13.715 14.291 -13.088 1.00 1.21 C ATOM 912 OH TYR A 54 -14.378 13.215 -13.631 1.00 62.42 O ATOM 0 H TYR A 54 -12.048 16.620 -8.814 1.00 64.11 H new ATOM 0 HA TYR A 54 -9.780 16.849 -10.699 1.00 32.51 H new ATOM 0 HB2 TYR A 54 -12.380 18.363 -11.012 1.00 11.11 H new ATOM 0 HB3 TYR A 54 -11.091 18.160 -12.182 1.00 11.11 H new ATOM 0 HD1 TYR A 54 -10.614 15.556 -12.787 1.00 4.12 H new ATOM 0 HD2 TYR A 54 -14.312 17.099 -11.338 1.00 51.42 H new ATOM 0 HE1 TYR A 54 -11.794 13.634 -13.757 1.00 54.30 H new ATOM 0 HE2 TYR A 54 -15.494 15.177 -12.304 1.00 0.52 H new ATOM 0 HH TYR A 54 -15.221 13.074 -13.151 1.00 62.42 H new ATOM 922 N GLY A 55 -9.905 18.315 -8.220 1.00 15.23 N ATOM 923 CA GLY A 55 -9.516 19.429 -7.374 1.00 73.51 C ATOM 924 C GLY A 55 -8.485 20.324 -8.032 1.00 74.13 C ATOM 925 O GLY A 55 -8.337 21.488 -7.661 1.00 52.42 O ATOM 0 H GLY A 55 -9.847 17.399 -7.776 1.00 15.23 H new ATOM 0 HA2 GLY A 55 -10.399 20.018 -7.126 1.00 73.51 H new ATOM 0 HA3 GLY A 55 -9.114 19.046 -6.436 1.00 73.51 H new ATOM 929 N ASP A 56 -7.770 19.780 -9.010 1.00 70.25 N ATOM 930 CA ASP A 56 -6.747 20.537 -9.722 1.00 3.13 C ATOM 931 C ASP A 56 -7.354 21.752 -10.416 1.00 71.13 C ATOM 932 O ASP A 56 -6.905 22.882 -10.220 1.00 31.05 O ATOM 933 CB ASP A 56 -6.043 19.647 -10.747 1.00 72.40 C ATOM 934 CG ASP A 56 -4.537 19.645 -10.576 1.00 2.13 C ATOM 935 OD1 ASP A 56 -4.072 19.667 -9.417 1.00 41.22 O ATOM 936 OD2 ASP A 56 -3.823 19.623 -11.600 1.00 62.44 O ATOM 0 H ASP A 56 -7.880 18.817 -9.328 1.00 70.25 H new ATOM 0 HA ASP A 56 -6.016 20.886 -8.993 1.00 3.13 H new ATOM 0 HB2 ASP A 56 -6.417 18.627 -10.656 1.00 72.40 H new ATOM 0 HB3 ASP A 56 -6.291 19.989 -11.752 1.00 72.40 H new ATOM 941 N LEU A 57 -8.376 21.512 -11.230 1.00 73.10 N ATOM 942 CA LEU A 57 -9.045 22.586 -11.955 1.00 53.35 C ATOM 943 C LEU A 57 -10.083 23.274 -11.075 1.00 34.04 C ATOM 944 O LEU A 57 -10.327 24.474 -11.205 1.00 24.24 O ATOM 945 CB LEU A 57 -9.714 22.037 -13.217 1.00 44.32 C ATOM 946 CG LEU A 57 -10.223 20.598 -13.135 1.00 21.21 C ATOM 947 CD1 LEU A 57 -11.506 20.439 -13.936 1.00 20.13 C ATOM 948 CD2 LEU A 57 -9.160 19.627 -13.629 1.00 11.03 C ATOM 0 H LEU A 57 -8.759 20.583 -11.404 1.00 73.10 H new ATOM 0 HA LEU A 57 -8.292 23.321 -12.240 1.00 53.35 H new ATOM 0 HB2 LEU A 57 -10.554 22.684 -13.470 1.00 44.32 H new ATOM 0 HB3 LEU A 57 -9.002 22.103 -14.040 1.00 44.32 H new ATOM 0 HG LEU A 57 -10.439 20.369 -12.092 1.00 21.21 H new ATOM 0 HD11 LEU A 57 -11.853 19.408 -13.866 1.00 20.13 H new ATOM 0 HD12 LEU A 57 -12.269 21.107 -13.537 1.00 20.13 H new ATOM 0 HD13 LEU A 57 -11.316 20.688 -14.980 1.00 20.13 H new ATOM 0 HD21 LEU A 57 -9.540 18.607 -13.563 1.00 11.03 H new ATOM 0 HD22 LEU A 57 -8.912 19.856 -14.665 1.00 11.03 H new ATOM 0 HD23 LEU A 57 -8.266 19.722 -13.012 1.00 11.03 H new ATOM 960 N VAL A 58 -10.692 22.506 -10.176 1.00 42.11 N ATOM 961 CA VAL A 58 -11.701 23.042 -9.271 1.00 33.22 C ATOM 962 C VAL A 58 -11.172 24.255 -8.514 1.00 35.24 C ATOM 963 O VAL A 58 -11.868 25.260 -8.367 1.00 34.31 O ATOM 964 CB VAL A 58 -12.166 21.980 -8.257 1.00 21.25 C ATOM 965 CG1 VAL A 58 -13.148 22.583 -7.264 1.00 31.22 C ATOM 966 CG2 VAL A 58 -12.785 20.791 -8.976 1.00 41.13 C ATOM 0 H VAL A 58 -10.504 21.511 -10.056 1.00 42.11 H new ATOM 0 HA VAL A 58 -12.549 23.343 -9.885 1.00 33.22 H new ATOM 0 HB VAL A 58 -11.296 21.627 -7.703 1.00 21.25 H new ATOM 0 HG11 VAL A 58 -13.465 21.818 -6.556 1.00 31.22 H new ATOM 0 HG12 VAL A 58 -12.666 23.399 -6.725 1.00 31.22 H new ATOM 0 HG13 VAL A 58 -14.017 22.965 -7.799 1.00 31.22 H new ATOM 0 HG21 VAL A 58 -13.108 20.051 -8.244 1.00 41.13 H new ATOM 0 HG22 VAL A 58 -13.644 21.125 -9.558 1.00 41.13 H new ATOM 0 HG23 VAL A 58 -12.047 20.344 -9.642 1.00 41.13 H new ATOM 976 N ASP A 59 -9.937 24.154 -8.035 1.00 54.01 N ATOM 977 CA ASP A 59 -9.313 25.244 -7.294 1.00 33.22 C ATOM 978 C ASP A 59 -8.768 26.305 -8.244 1.00 41.22 C ATOM 979 O ASP A 59 -8.134 27.270 -7.816 1.00 22.54 O ATOM 980 CB ASP A 59 -8.188 24.708 -6.408 1.00 64.41 C ATOM 981 CG ASP A 59 -8.710 23.943 -5.208 1.00 23.23 C ATOM 982 OD1 ASP A 59 -9.945 23.816 -5.076 1.00 13.42 O ATOM 983 OD2 ASP A 59 -7.883 23.470 -4.401 1.00 23.14 O ATOM 0 H ASP A 59 -9.348 23.329 -8.147 1.00 54.01 H new ATOM 0 HA ASP A 59 -10.074 25.704 -6.663 1.00 33.22 H new ATOM 0 HB2 ASP A 59 -7.544 24.056 -6.998 1.00 64.41 H new ATOM 0 HB3 ASP A 59 -7.572 25.539 -6.065 1.00 64.41 H new ATOM 988 N ASP A 60 -9.018 26.120 -9.536 1.00 10.14 N ATOM 989 CA ASP A 60 -8.552 27.061 -10.547 1.00 52.53 C ATOM 990 C ASP A 60 -9.726 27.792 -11.191 1.00 53.14 C ATOM 991 O ASP A 60 -9.550 28.830 -11.830 1.00 73.10 O ATOM 992 CB ASP A 60 -7.740 26.332 -11.618 1.00 70.33 C ATOM 993 CG ASP A 60 -6.940 27.283 -12.486 1.00 63.32 C ATOM 994 OD1 ASP A 60 -7.500 27.795 -13.477 1.00 52.03 O ATOM 995 OD2 ASP A 60 -5.752 27.514 -12.175 1.00 14.12 O ATOM 0 H ASP A 60 -9.541 25.327 -9.907 1.00 10.14 H new ATOM 0 HA ASP A 60 -7.914 27.796 -10.057 1.00 52.53 H new ATOM 0 HB2 ASP A 60 -7.062 25.626 -11.138 1.00 70.33 H new ATOM 0 HB3 ASP A 60 -8.414 25.750 -12.247 1.00 70.33 H new ATOM 1000 N PHE A 61 -10.924 27.243 -11.020 1.00 72.33 N ATOM 1001 CA PHE A 61 -12.128 27.841 -11.587 1.00 25.14 C ATOM 1002 C PHE A 61 -12.918 28.588 -10.517 1.00 54.51 C ATOM 1003 O PHE A 61 -13.121 29.798 -10.613 1.00 50.32 O ATOM 1004 CB PHE A 61 -13.006 26.763 -12.226 1.00 44.44 C ATOM 1005 CG PHE A 61 -14.355 27.266 -12.653 1.00 73.51 C ATOM 1006 CD1 PHE A 61 -14.517 27.911 -13.868 1.00 43.13 C ATOM 1007 CD2 PHE A 61 -15.463 27.092 -11.838 1.00 43.44 C ATOM 1008 CE1 PHE A 61 -15.758 28.374 -14.264 1.00 65.02 C ATOM 1009 CE2 PHE A 61 -16.706 27.553 -12.229 1.00 61.31 C ATOM 1010 CZ PHE A 61 -16.853 28.195 -13.443 1.00 13.42 C ATOM 0 H PHE A 61 -11.087 26.385 -10.493 1.00 72.33 H new ATOM 0 HA PHE A 61 -11.824 28.553 -12.354 1.00 25.14 H new ATOM 0 HB2 PHE A 61 -12.489 26.351 -13.093 1.00 44.44 H new ATOM 0 HB3 PHE A 61 -13.139 25.946 -11.517 1.00 44.44 H new ATOM 0 HD1 PHE A 61 -13.663 28.054 -14.514 1.00 43.13 H new ATOM 0 HD2 PHE A 61 -15.354 26.591 -10.888 1.00 43.44 H new ATOM 0 HE1 PHE A 61 -15.870 28.875 -15.214 1.00 65.02 H new ATOM 0 HE2 PHE A 61 -17.562 27.411 -11.586 1.00 61.31 H new ATOM 0 HZ PHE A 61 -17.823 28.556 -13.749 1.00 13.42 H new ATOM 1020 N GLU A 62 -13.363 27.858 -9.499 1.00 62.12 N ATOM 1021 CA GLU A 62 -14.133 28.452 -8.412 1.00 63.44 C ATOM 1022 C GLU A 62 -13.307 29.497 -7.669 1.00 1.43 C ATOM 1023 O GLU A 62 -13.836 30.506 -7.202 1.00 11.25 O ATOM 1024 CB GLU A 62 -14.601 27.369 -7.438 1.00 62.53 C ATOM 1025 CG GLU A 62 -13.500 26.852 -6.527 1.00 0.51 C ATOM 1026 CD GLU A 62 -13.441 27.594 -5.205 1.00 74.34 C ATOM 1027 OE1 GLU A 62 -14.057 28.675 -5.103 1.00 50.22 O ATOM 1028 OE2 GLU A 62 -12.780 27.091 -4.273 1.00 4.20 O ATOM 0 H GLU A 62 -13.204 26.855 -9.404 1.00 62.12 H new ATOM 0 HA GLU A 62 -15.005 28.943 -8.844 1.00 63.44 H new ATOM 0 HB2 GLU A 62 -15.410 27.768 -6.826 1.00 62.53 H new ATOM 0 HB3 GLU A 62 -15.013 26.535 -8.006 1.00 62.53 H new ATOM 0 HG2 GLU A 62 -13.659 25.791 -6.337 1.00 0.51 H new ATOM 0 HG3 GLU A 62 -12.540 26.945 -7.035 1.00 0.51 H new ATOM 1035 N LYS A 63 -12.006 29.249 -7.562 1.00 41.12 N ATOM 1036 CA LYS A 63 -11.105 30.168 -6.877 1.00 22.44 C ATOM 1037 C LYS A 63 -10.916 31.448 -7.683 1.00 51.33 C ATOM 1038 O LYS A 63 -10.356 32.427 -7.190 1.00 72.53 O ATOM 1039 CB LYS A 63 -9.749 29.500 -6.635 1.00 71.35 C ATOM 1040 CG LYS A 63 -9.819 28.298 -5.709 1.00 12.43 C ATOM 1041 CD LYS A 63 -10.313 28.689 -4.326 1.00 4.03 C ATOM 1042 CE LYS A 63 -10.084 27.574 -3.317 1.00 33.21 C ATOM 1043 NZ LYS A 63 -8.950 27.878 -2.402 1.00 23.44 N ATOM 0 H LYS A 63 -11.552 28.418 -7.941 1.00 41.12 H new ATOM 0 HA LYS A 63 -11.552 30.427 -5.917 1.00 22.44 H new ATOM 0 HB2 LYS A 63 -9.332 29.187 -7.592 1.00 71.35 H new ATOM 0 HB3 LYS A 63 -9.062 30.234 -6.213 1.00 71.35 H new ATOM 0 HG2 LYS A 63 -10.484 27.547 -6.135 1.00 12.43 H new ATOM 0 HG3 LYS A 63 -8.833 27.841 -5.629 1.00 12.43 H new ATOM 0 HD2 LYS A 63 -9.798 29.591 -3.996 1.00 4.03 H new ATOM 0 HD3 LYS A 63 -11.376 28.927 -4.372 1.00 4.03 H new ATOM 0 HE2 LYS A 63 -10.991 27.421 -2.732 1.00 33.21 H new ATOM 0 HE3 LYS A 63 -9.884 26.642 -3.845 1.00 33.21 H new ATOM 0 HZ1 LYS A 63 -8.826 27.094 -1.730 1.00 23.44 H new ATOM 0 HZ2 LYS A 63 -8.079 27.999 -2.957 1.00 23.44 H new ATOM 0 HZ3 LYS A 63 -9.151 28.754 -1.879 1.00 23.44 H new ATOM 1057 N ASN A 64 -11.388 31.435 -8.926 1.00 35.14 N ATOM 1058 CA ASN A 64 -11.272 32.596 -9.800 1.00 52.21 C ATOM 1059 C ASN A 64 -12.574 33.391 -9.825 1.00 13.02 C ATOM 1060 O ASN A 64 -12.563 34.620 -9.771 1.00 42.41 O ATOM 1061 CB ASN A 64 -10.902 32.158 -11.218 1.00 74.45 C ATOM 1062 CG ASN A 64 -9.436 31.792 -11.347 1.00 32.12 C ATOM 1063 OD1 ASN A 64 -8.770 32.180 -12.307 1.00 20.34 O ATOM 1064 ND2 ASN A 64 -8.927 31.041 -10.377 1.00 42.20 N ATOM 0 H ASN A 64 -11.854 30.633 -9.350 1.00 35.14 H new ATOM 0 HA ASN A 64 -10.483 33.237 -9.407 1.00 52.21 H new ATOM 0 HB2 ASN A 64 -11.514 31.302 -11.502 1.00 74.45 H new ATOM 0 HB3 ASN A 64 -11.136 32.962 -11.916 1.00 74.45 H new ATOM 0 HD21 ASN A 64 -7.946 30.763 -10.409 1.00 42.20 H new ATOM 0 HD22 ASN A 64 -9.517 30.743 -9.600 1.00 42.20 H new ATOM 1071 N GLN A 65 -13.694 32.680 -9.906 1.00 30.42 N ATOM 1072 CA GLN A 65 -15.004 33.319 -9.938 1.00 11.03 C ATOM 1073 C GLN A 65 -15.491 33.632 -8.527 1.00 34.02 C ATOM 1074 O GLN A 65 -16.537 34.255 -8.344 1.00 13.25 O ATOM 1075 CB GLN A 65 -16.016 32.421 -10.652 1.00 42.41 C ATOM 1076 CG GLN A 65 -16.172 31.051 -10.013 1.00 3.25 C ATOM 1077 CD GLN A 65 -17.616 30.593 -9.958 1.00 41.42 C ATOM 1078 OE1 GLN A 65 -17.990 29.605 -10.590 1.00 20.23 O ATOM 1079 NE2 GLN A 65 -18.437 31.312 -9.201 1.00 22.31 N ATOM 0 H GLN A 65 -13.720 31.661 -9.951 1.00 30.42 H new ATOM 0 HA GLN A 65 -14.910 34.256 -10.487 1.00 11.03 H new ATOM 0 HB2 GLN A 65 -16.985 32.919 -10.665 1.00 42.41 H new ATOM 0 HB3 GLN A 65 -15.709 32.295 -11.690 1.00 42.41 H new ATOM 0 HG2 GLN A 65 -15.585 30.324 -10.574 1.00 3.25 H new ATOM 0 HG3 GLN A 65 -15.765 31.077 -9.002 1.00 3.25 H new ATOM 0 HE21 GLN A 65 -18.084 32.124 -8.694 1.00 22.31 H new ATOM 0 HE22 GLN A 65 -19.421 31.052 -9.126 1.00 22.31 H new ATOM 1088 N LYS A 66 -14.727 33.195 -7.532 1.00 10.23 N ATOM 1089 CA LYS A 66 -15.079 33.429 -6.136 1.00 74.12 C ATOM 1090 C LYS A 66 -15.223 34.921 -5.854 1.00 30.12 C ATOM 1091 O LYS A 66 -15.965 35.325 -4.959 1.00 14.52 O ATOM 1092 CB LYS A 66 -14.019 32.824 -5.213 1.00 33.00 C ATOM 1093 CG LYS A 66 -12.606 33.285 -5.525 1.00 52.12 C ATOM 1094 CD LYS A 66 -12.298 34.621 -4.870 1.00 21.22 C ATOM 1095 CE LYS A 66 -10.939 34.606 -4.187 1.00 1.12 C ATOM 1096 NZ LYS A 66 -10.873 35.580 -3.062 1.00 22.41 N ATOM 0 H LYS A 66 -13.859 32.676 -7.666 1.00 10.23 H new ATOM 0 HA LYS A 66 -16.037 32.947 -5.943 1.00 74.12 H new ATOM 0 HB2 LYS A 66 -14.257 33.083 -4.181 1.00 33.00 H new ATOM 0 HB3 LYS A 66 -14.062 31.737 -5.287 1.00 33.00 H new ATOM 0 HG2 LYS A 66 -11.893 32.536 -5.179 1.00 52.12 H new ATOM 0 HG3 LYS A 66 -12.480 33.370 -6.604 1.00 52.12 H new ATOM 0 HD2 LYS A 66 -12.320 35.410 -5.622 1.00 21.22 H new ATOM 0 HD3 LYS A 66 -13.071 34.856 -4.139 1.00 21.22 H new ATOM 0 HE2 LYS A 66 -10.732 33.604 -3.812 1.00 1.12 H new ATOM 0 HE3 LYS A 66 -10.163 34.840 -4.916 1.00 1.12 H new ATOM 0 HZ1 LYS A 66 -9.931 35.539 -2.623 1.00 22.41 H new ATOM 0 HZ2 LYS A 66 -11.045 36.540 -3.423 1.00 22.41 H new ATOM 0 HZ3 LYS A 66 -11.596 35.342 -2.354 1.00 22.41 H new ATOM 1110 N LYS A 67 -14.509 35.736 -6.623 1.00 72.55 N ATOM 1111 CA LYS A 67 -14.559 37.183 -6.459 1.00 4.43 C ATOM 1112 C LYS A 67 -13.896 37.888 -7.638 1.00 3.21 C ATOM 1113 O LYS A 67 -14.530 38.677 -8.339 1.00 34.31 O ATOM 1114 CB LYS A 67 -13.871 37.593 -5.154 1.00 71.42 C ATOM 1115 CG LYS A 67 -14.188 39.013 -4.719 1.00 73.10 C ATOM 1116 CD LYS A 67 -13.137 39.551 -3.763 1.00 41.11 C ATOM 1117 CE LYS A 67 -13.657 39.603 -2.335 1.00 10.43 C ATOM 1118 NZ LYS A 67 -13.867 41.003 -1.872 1.00 3.23 N ATOM 0 H LYS A 67 -13.888 35.418 -7.367 1.00 72.55 H new ATOM 0 HA LYS A 67 -15.606 37.483 -6.421 1.00 4.43 H new ATOM 0 HB2 LYS A 67 -14.170 36.905 -4.364 1.00 71.42 H new ATOM 0 HB3 LYS A 67 -12.792 37.491 -5.274 1.00 71.42 H new ATOM 0 HG2 LYS A 67 -14.248 39.658 -5.596 1.00 73.10 H new ATOM 0 HG3 LYS A 67 -15.166 39.037 -4.238 1.00 73.10 H new ATOM 0 HD2 LYS A 67 -12.249 38.921 -3.805 1.00 41.11 H new ATOM 0 HD3 LYS A 67 -12.834 40.550 -4.078 1.00 41.11 H new ATOM 0 HE2 LYS A 67 -14.597 39.054 -2.270 1.00 10.43 H new ATOM 0 HE3 LYS A 67 -12.950 39.104 -1.673 1.00 10.43 H new ATOM 0 HZ1 LYS A 67 -14.222 40.996 -0.894 1.00 3.23 H new ATOM 0 HZ2 LYS A 67 -12.965 41.520 -1.909 1.00 3.23 H new ATOM 0 HZ3 LYS A 67 -14.561 41.472 -2.489 1.00 3.23 H new TER 1132 LYS A 67