USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 637 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 37 GLN : amide:sc= -0.771 K(o=0.04,f=-4.4!) USER MOD Set 1.2: A 51 TYR OH : rot -39:sc= 1.31 USER MOD Set 1.3: A 58 SER OG : rot -108:sc= -0.494 USER MOD Single : A 1 GLY N :NH3+ 171:sc= -0.0523 (180deg=-0.172) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= -0.0148 (180deg=-0.0148) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= -0.908 K(o=-0.91,f=-1.6) USER MOD Single : A 13 THR OG1 : rot -86:sc= 0.932 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -116:sc= -0.259 (180deg=-2.04!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 178:sc= -0.342 (180deg=-0.372) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.0143 USER MOD Single : A 25 ASN : amide:sc= -0.372 X(o=-0.37,f=0) USER MOD Single : A 28 HIS : no HD1:sc= -0.124 X(o=-0.12,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 146:sc= -0.301 (180deg=-1.66!) USER MOD Single : A 38 GLN : amide:sc= -1.59 X(o=-1.6,f=-1.3) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS :FLIP no HD1:sc= -0.0671 F(o=-1.1,f=-0.067) USER MOD Single : A 47 SER OG : rot 180:sc=-0.00341 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN :FLIP amide:sc= -1.25 F(o=-2.5,f=-1.2) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.146 K(o=-0.15,f=-1.3!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.00293 USER MOD Single : A 72 LYS NZ :NH3+ -163:sc=-0.00687 (180deg=-0.156) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -170:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 156:sc= -0.0328 (180deg=-0.693) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.0043) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.711 3.776 -9.171 1.00 75.42 N ATOM 2 CA GLY A 1 -7.213 2.607 -9.869 1.00 73.54 C ATOM 3 C GLY A 1 -6.507 1.333 -9.450 1.00 23.22 C ATOM 4 O GLY A 1 -6.431 0.375 -10.219 1.00 34.53 O ATOM 0 H1 GLY A 1 -7.114 4.635 -9.598 1.00 75.42 H new ATOM 0 H2 GLY A 1 -6.985 3.726 -8.169 1.00 75.42 H new ATOM 0 H3 GLY A 1 -5.674 3.806 -9.246 1.00 75.42 H new ATOM 0 HA2 GLY A 1 -8.282 2.506 -9.679 1.00 73.54 H new ATOM 0 HA3 GLY A 1 -7.092 2.749 -10.943 1.00 73.54 H new ATOM 8 N SER A 2 -5.986 1.322 -8.227 1.00 43.20 N ATOM 9 CA SER A 2 -5.276 0.159 -7.708 1.00 73.54 C ATOM 10 C SER A 2 -6.250 -0.970 -7.382 1.00 2.13 C ATOM 11 O SER A 2 -7.021 -0.882 -6.427 1.00 63.22 O ATOM 12 CB SER A 2 -4.478 0.536 -6.459 1.00 51.42 C ATOM 13 OG SER A 2 -3.482 1.498 -6.762 1.00 14.32 O ATOM 0 H SER A 2 -6.042 2.106 -7.577 1.00 43.20 H new ATOM 0 HA SER A 2 -4.587 -0.189 -8.478 1.00 73.54 H new ATOM 0 HB2 SER A 2 -5.151 0.932 -5.699 1.00 51.42 H new ATOM 0 HB3 SER A 2 -4.012 -0.355 -6.039 1.00 51.42 H new ATOM 0 HG SER A 2 -2.987 1.724 -5.947 1.00 14.32 H new ATOM 19 N ASN A 3 -6.207 -2.030 -8.182 1.00 53.15 N ATOM 20 CA ASN A 3 -7.086 -3.176 -7.980 1.00 25.51 C ATOM 21 C ASN A 3 -6.275 -4.447 -7.744 1.00 31.44 C ATOM 22 O ASN A 3 -5.689 -5.002 -8.672 1.00 64.32 O ATOM 23 CB ASN A 3 -8.004 -3.362 -9.189 1.00 52.53 C ATOM 24 CG ASN A 3 -8.794 -2.108 -9.513 1.00 1.23 C ATOM 25 OD1 ASN A 3 -9.493 -1.563 -8.658 1.00 60.50 O ATOM 26 ND2 ASN A 3 -8.686 -1.644 -10.752 1.00 44.13 N ATOM 0 H ASN A 3 -5.573 -2.119 -8.976 1.00 53.15 H new ATOM 0 HA ASN A 3 -7.695 -2.984 -7.097 1.00 25.51 H new ATOM 0 HB2 ASN A 3 -7.406 -3.646 -10.055 1.00 52.53 H new ATOM 0 HB3 ASN A 3 -8.694 -4.183 -8.995 1.00 52.53 H new ATOM 0 HD21 ASN A 3 -9.194 -0.804 -11.028 1.00 44.13 H new ATOM 0 HD22 ASN A 3 -8.095 -2.128 -11.428 1.00 44.13 H new ATOM 33 N GLU A 4 -6.248 -4.902 -6.495 1.00 35.23 N ATOM 34 CA GLU A 4 -5.510 -6.107 -6.137 1.00 62.51 C ATOM 35 C GLU A 4 -6.463 -7.239 -5.764 1.00 32.20 C ATOM 36 O GLU A 4 -6.258 -7.937 -4.771 1.00 32.42 O ATOM 37 CB GLU A 4 -4.558 -5.823 -4.973 1.00 54.20 C ATOM 38 CG GLU A 4 -3.374 -6.772 -4.909 1.00 44.12 C ATOM 39 CD GLU A 4 -2.292 -6.423 -5.913 1.00 70.22 C ATOM 40 OE1 GLU A 4 -1.981 -5.223 -6.058 1.00 4.33 O ATOM 41 OE2 GLU A 4 -1.757 -7.352 -6.554 1.00 42.12 O ATOM 0 H GLU A 4 -6.729 -4.454 -5.715 1.00 35.23 H new ATOM 0 HA GLU A 4 -4.928 -6.416 -7.005 1.00 62.51 H new ATOM 0 HB2 GLU A 4 -4.189 -4.801 -5.058 1.00 54.20 H new ATOM 0 HB3 GLU A 4 -5.113 -5.885 -4.037 1.00 54.20 H new ATOM 0 HG2 GLU A 4 -2.952 -6.753 -3.904 1.00 44.12 H new ATOM 0 HG3 GLU A 4 -3.719 -7.790 -5.091 1.00 44.12 H new ATOM 48 N LYS A 5 -7.507 -7.414 -6.567 1.00 60.42 N ATOM 49 CA LYS A 5 -8.493 -8.461 -6.324 1.00 40.31 C ATOM 50 C LYS A 5 -8.481 -9.492 -7.448 1.00 41.53 C ATOM 51 O LYS A 5 -9.103 -9.311 -8.495 1.00 40.13 O ATOM 52 CB LYS A 5 -9.891 -7.852 -6.191 1.00 43.20 C ATOM 53 CG LYS A 5 -9.976 -6.744 -5.155 1.00 64.22 C ATOM 54 CD LYS A 5 -9.519 -7.224 -3.787 1.00 51.45 C ATOM 55 CE LYS A 5 -9.805 -6.189 -2.710 1.00 44.52 C ATOM 56 NZ LYS A 5 -8.973 -4.965 -2.882 1.00 71.21 N ATOM 0 H LYS A 5 -7.692 -6.844 -7.392 1.00 60.42 H new ATOM 0 HA LYS A 5 -8.231 -8.963 -5.392 1.00 40.31 H new ATOM 0 HB2 LYS A 5 -10.200 -7.457 -7.159 1.00 43.20 H new ATOM 0 HB3 LYS A 5 -10.597 -8.639 -5.928 1.00 43.20 H new ATOM 0 HG2 LYS A 5 -9.360 -5.902 -5.470 1.00 64.22 H new ATOM 0 HG3 LYS A 5 -11.002 -6.383 -5.091 1.00 64.22 H new ATOM 0 HD2 LYS A 5 -10.025 -8.157 -3.540 1.00 51.45 H new ATOM 0 HD3 LYS A 5 -8.450 -7.438 -3.813 1.00 51.45 H new ATOM 0 HE2 LYS A 5 -10.860 -5.918 -2.738 1.00 44.52 H new ATOM 0 HE3 LYS A 5 -9.614 -6.623 -1.729 1.00 44.52 H new ATOM 0 HZ1 LYS A 5 -9.197 -4.284 -2.129 1.00 71.21 H new ATOM 0 HZ2 LYS A 5 -7.966 -5.220 -2.830 1.00 71.21 H new ATOM 0 HZ3 LYS A 5 -9.174 -4.536 -3.808 1.00 71.21 H new ATOM 70 N PRO A 6 -7.758 -10.600 -7.228 1.00 41.35 N ATOM 71 CA PRO A 6 -7.650 -11.682 -8.211 1.00 65.02 C ATOM 72 C PRO A 6 -8.957 -12.449 -8.375 1.00 30.41 C ATOM 73 O PRO A 6 -9.893 -12.275 -7.595 1.00 34.14 O ATOM 74 CB PRO A 6 -6.567 -12.590 -7.621 1.00 51.44 C ATOM 75 CG PRO A 6 -6.612 -12.329 -6.155 1.00 44.33 C ATOM 76 CD PRO A 6 -6.991 -10.882 -6.003 1.00 41.45 C ATOM 0 HA PRO A 6 -7.415 -11.306 -9.207 1.00 65.02 H new ATOM 0 HB2 PRO A 6 -6.765 -13.639 -7.843 1.00 51.44 H new ATOM 0 HB3 PRO A 6 -5.586 -12.357 -8.035 1.00 51.44 H new ATOM 0 HG2 PRO A 6 -7.340 -12.976 -5.666 1.00 44.33 H new ATOM 0 HG3 PRO A 6 -5.645 -12.530 -5.693 1.00 44.33 H new ATOM 0 HD2 PRO A 6 -7.589 -10.715 -5.107 1.00 41.45 H new ATOM 0 HD3 PRO A 6 -6.112 -10.243 -5.923 1.00 41.45 H new ATOM 84 N LYS A 7 -9.015 -13.300 -9.394 1.00 22.11 N ATOM 85 CA LYS A 7 -10.207 -14.096 -9.660 1.00 21.52 C ATOM 86 C LYS A 7 -9.928 -15.581 -9.447 1.00 51.03 C ATOM 87 O LYS A 7 -8.779 -16.021 -9.498 1.00 12.43 O ATOM 88 CB LYS A 7 -10.696 -13.858 -11.090 1.00 62.23 C ATOM 89 CG LYS A 7 -9.693 -14.273 -12.153 1.00 31.51 C ATOM 90 CD LYS A 7 -8.778 -13.123 -12.536 1.00 3.31 C ATOM 91 CE LYS A 7 -7.409 -13.621 -12.974 1.00 73.33 C ATOM 92 NZ LYS A 7 -6.523 -13.905 -11.811 1.00 55.14 N ATOM 0 H LYS A 7 -8.249 -13.456 -10.050 1.00 22.11 H new ATOM 0 HA LYS A 7 -10.984 -13.786 -8.961 1.00 21.52 H new ATOM 0 HB2 LYS A 7 -11.624 -14.408 -11.244 1.00 62.23 H new ATOM 0 HB3 LYS A 7 -10.928 -12.800 -11.214 1.00 62.23 H new ATOM 0 HG2 LYS A 7 -9.096 -15.107 -11.785 1.00 31.51 H new ATOM 0 HG3 LYS A 7 -10.224 -14.627 -13.037 1.00 31.51 H new ATOM 0 HD2 LYS A 7 -9.233 -12.548 -13.343 1.00 3.31 H new ATOM 0 HD3 LYS A 7 -8.666 -12.448 -11.688 1.00 3.31 H new ATOM 0 HE2 LYS A 7 -7.526 -14.526 -13.571 1.00 73.33 H new ATOM 0 HE3 LYS A 7 -6.939 -12.875 -13.615 1.00 73.33 H new ATOM 0 HZ1 LYS A 7 -5.600 -14.242 -12.152 1.00 55.14 H new ATOM 0 HZ2 LYS A 7 -6.391 -13.036 -11.255 1.00 55.14 H new ATOM 0 HZ3 LYS A 7 -6.959 -14.636 -11.213 1.00 55.14 H new ATOM 106 N VAL A 8 -10.987 -16.349 -9.211 1.00 24.42 N ATOM 107 CA VAL A 8 -10.856 -17.785 -8.993 1.00 62.24 C ATOM 108 C VAL A 8 -12.041 -18.541 -9.583 1.00 53.45 C ATOM 109 O VAL A 8 -13.157 -18.023 -9.638 1.00 40.13 O ATOM 110 CB VAL A 8 -10.744 -18.118 -7.494 1.00 13.24 C ATOM 111 CG1 VAL A 8 -10.400 -19.586 -7.296 1.00 73.34 C ATOM 112 CG2 VAL A 8 -9.709 -17.225 -6.826 1.00 34.02 C ATOM 0 H VAL A 8 -11.945 -16.001 -9.166 1.00 24.42 H new ATOM 0 HA VAL A 8 -9.941 -18.099 -9.496 1.00 62.24 H new ATOM 0 HB VAL A 8 -11.710 -17.930 -7.025 1.00 13.24 H new ATOM 0 HG11 VAL A 8 -10.325 -19.802 -6.230 1.00 73.34 H new ATOM 0 HG12 VAL A 8 -11.181 -20.205 -7.738 1.00 73.34 H new ATOM 0 HG13 VAL A 8 -9.447 -19.805 -7.778 1.00 73.34 H new ATOM 0 HG21 VAL A 8 -9.643 -17.474 -5.767 1.00 34.02 H new ATOM 0 HG22 VAL A 8 -8.738 -17.379 -7.296 1.00 34.02 H new ATOM 0 HG23 VAL A 8 -10.004 -16.181 -6.936 1.00 34.02 H new ATOM 122 N LYS A 9 -11.793 -19.769 -10.024 1.00 64.22 N ATOM 123 CA LYS A 9 -12.839 -20.599 -10.609 1.00 71.04 C ATOM 124 C LYS A 9 -14.054 -20.672 -9.690 1.00 3.04 C ATOM 125 O LYS A 9 -15.189 -20.790 -10.151 1.00 60.23 O ATOM 126 CB LYS A 9 -12.308 -22.008 -10.883 1.00 41.11 C ATOM 127 CG LYS A 9 -11.004 -22.026 -11.661 1.00 45.30 C ATOM 128 CD LYS A 9 -10.821 -23.333 -12.413 1.00 62.24 C ATOM 129 CE LYS A 9 -11.626 -23.351 -13.704 1.00 4.21 C ATOM 130 NZ LYS A 9 -10.878 -22.731 -14.833 1.00 24.04 N ATOM 0 H LYS A 9 -10.875 -20.212 -9.987 1.00 64.22 H new ATOM 0 HA LYS A 9 -13.145 -20.143 -11.551 1.00 71.04 H new ATOM 0 HB2 LYS A 9 -12.162 -22.523 -9.934 1.00 41.11 H new ATOM 0 HB3 LYS A 9 -13.060 -22.569 -11.438 1.00 41.11 H new ATOM 0 HG2 LYS A 9 -10.988 -21.195 -12.366 1.00 45.30 H new ATOM 0 HG3 LYS A 9 -10.169 -21.879 -10.976 1.00 45.30 H new ATOM 0 HD2 LYS A 9 -9.765 -23.479 -12.640 1.00 62.24 H new ATOM 0 HD3 LYS A 9 -11.129 -24.165 -11.779 1.00 62.24 H new ATOM 0 HE2 LYS A 9 -11.881 -24.380 -13.959 1.00 4.21 H new ATOM 0 HE3 LYS A 9 -12.565 -22.818 -13.554 1.00 4.21 H new ATOM 0 HZ1 LYS A 9 -11.460 -22.763 -15.694 1.00 24.04 H new ATOM 0 HZ2 LYS A 9 -10.657 -21.742 -14.601 1.00 24.04 H new ATOM 0 HZ3 LYS A 9 -9.994 -23.255 -14.993 1.00 24.04 H new ATOM 144 N LYS A 10 -13.808 -20.599 -8.386 1.00 30.41 N ATOM 145 CA LYS A 10 -14.881 -20.654 -7.400 1.00 72.34 C ATOM 146 C LYS A 10 -15.355 -19.252 -7.033 1.00 3.42 C ATOM 147 O LYS A 10 -16.500 -19.060 -6.622 1.00 42.33 O ATOM 148 CB LYS A 10 -14.411 -21.391 -6.144 1.00 43.21 C ATOM 149 CG LYS A 10 -13.826 -22.764 -6.427 1.00 52.20 C ATOM 150 CD LYS A 10 -14.028 -23.708 -5.254 1.00 20.30 C ATOM 151 CE LYS A 10 -13.243 -24.999 -5.436 1.00 14.41 C ATOM 152 NZ LYS A 10 -13.830 -25.859 -6.500 1.00 71.13 N ATOM 0 H LYS A 10 -12.874 -20.502 -7.987 1.00 30.41 H new ATOM 0 HA LYS A 10 -15.717 -21.197 -7.840 1.00 72.34 H new ATOM 0 HB2 LYS A 10 -13.662 -20.784 -5.636 1.00 43.21 H new ATOM 0 HB3 LYS A 10 -15.252 -21.498 -5.459 1.00 43.21 H new ATOM 0 HG2 LYS A 10 -14.294 -23.183 -7.318 1.00 52.20 H new ATOM 0 HG3 LYS A 10 -12.761 -22.670 -6.641 1.00 52.20 H new ATOM 0 HD2 LYS A 10 -13.715 -23.217 -4.332 1.00 20.30 H new ATOM 0 HD3 LYS A 10 -15.088 -23.937 -5.149 1.00 20.30 H new ATOM 0 HE2 LYS A 10 -12.209 -24.763 -5.689 1.00 14.41 H new ATOM 0 HE3 LYS A 10 -13.224 -25.548 -4.495 1.00 14.41 H new ATOM 0 HZ1 LYS A 10 -13.267 -26.728 -6.594 1.00 71.13 H new ATOM 0 HZ2 LYS A 10 -14.808 -26.105 -6.247 1.00 71.13 H new ATOM 0 HZ3 LYS A 10 -13.825 -25.345 -7.404 1.00 71.13 H new ATOM 166 N HIS A 11 -14.467 -18.274 -7.184 1.00 51.31 N ATOM 167 CA HIS A 11 -14.796 -16.888 -6.870 1.00 4.31 C ATOM 168 C HIS A 11 -15.699 -16.287 -7.942 1.00 73.04 C ATOM 169 O HIS A 11 -16.443 -15.341 -7.682 1.00 34.11 O ATOM 170 CB HIS A 11 -13.519 -16.056 -6.738 1.00 33.35 C ATOM 171 CG HIS A 11 -12.829 -16.225 -5.419 1.00 65.14 C ATOM 172 ND1 HIS A 11 -12.725 -17.439 -4.774 1.00 30.21 N ATOM 173 CD2 HIS A 11 -12.203 -15.324 -4.626 1.00 63.41 C ATOM 174 CE1 HIS A 11 -12.067 -17.278 -3.640 1.00 11.32 C ATOM 175 NE2 HIS A 11 -11.738 -16.003 -3.527 1.00 35.54 N ATOM 0 H HIS A 11 -13.515 -18.416 -7.522 1.00 51.31 H new ATOM 0 HA HIS A 11 -15.331 -16.874 -5.920 1.00 4.31 H new ATOM 0 HB2 HIS A 11 -12.831 -16.332 -7.537 1.00 33.35 H new ATOM 0 HB3 HIS A 11 -13.765 -15.003 -6.878 1.00 33.35 H new ATOM 0 HD2 HIS A 11 -12.090 -14.268 -4.821 1.00 63.41 H new ATOM 0 HE1 HIS A 11 -11.837 -18.056 -2.927 1.00 11.32 H new ATOM 0 HE2 HIS A 11 -11.222 -15.590 -2.750 1.00 35.54 H new ATOM 184 N ILE A 12 -15.628 -16.842 -9.148 1.00 13.33 N ATOM 185 CA ILE A 12 -16.440 -16.361 -10.259 1.00 11.45 C ATOM 186 C ILE A 12 -17.912 -16.281 -9.870 1.00 34.34 C ATOM 187 O ILE A 12 -18.656 -15.441 -10.376 1.00 51.52 O ATOM 188 CB ILE A 12 -16.296 -17.267 -11.495 1.00 44.24 C ATOM 189 CG1 ILE A 12 -16.993 -16.635 -12.702 1.00 2.01 C ATOM 190 CG2 ILE A 12 -16.867 -18.648 -11.210 1.00 3.31 C ATOM 191 CD1 ILE A 12 -16.710 -17.348 -14.005 1.00 63.34 C ATOM 0 H ILE A 12 -15.017 -17.625 -9.380 1.00 13.33 H new ATOM 0 HA ILE A 12 -16.077 -15.363 -10.506 1.00 11.45 H new ATOM 0 HB ILE A 12 -15.236 -17.375 -11.726 1.00 44.24 H new ATOM 0 HG12 ILE A 12 -18.069 -16.628 -12.527 1.00 2.01 H new ATOM 0 HG13 ILE A 12 -16.678 -15.595 -12.790 1.00 2.01 H new ATOM 0 HG21 ILE A 12 -16.758 -19.276 -12.094 1.00 3.31 H new ATOM 0 HG22 ILE A 12 -16.330 -19.099 -10.375 1.00 3.31 H new ATOM 0 HG23 ILE A 12 -17.923 -18.560 -10.956 1.00 3.31 H new ATOM 0 HD11 ILE A 12 -17.236 -16.845 -14.817 1.00 63.34 H new ATOM 0 HD12 ILE A 12 -15.638 -17.332 -14.203 1.00 63.34 H new ATOM 0 HD13 ILE A 12 -17.051 -18.381 -13.936 1.00 63.34 H new ATOM 203 N THR A 13 -18.328 -17.162 -8.964 1.00 51.04 N ATOM 204 CA THR A 13 -19.711 -17.192 -8.506 1.00 52.11 C ATOM 205 C THR A 13 -20.148 -15.827 -7.988 1.00 55.40 C ATOM 206 O THR A 13 -21.174 -15.292 -8.409 1.00 12.23 O ATOM 207 CB THR A 13 -19.912 -18.239 -7.394 1.00 50.31 C ATOM 208 OG1 THR A 13 -19.050 -17.950 -6.288 1.00 64.11 O ATOM 209 CG2 THR A 13 -19.628 -19.640 -7.913 1.00 33.43 C ATOM 0 H THR A 13 -17.726 -17.864 -8.533 1.00 51.04 H new ATOM 0 HA THR A 13 -20.323 -17.464 -9.366 1.00 52.11 H new ATOM 0 HB THR A 13 -20.950 -18.194 -7.066 1.00 50.31 H new ATOM 0 HG1 THR A 13 -18.172 -18.356 -6.443 1.00 64.11 H new ATOM 0 HG21 THR A 13 -19.776 -20.362 -7.110 1.00 33.43 H new ATOM 0 HG22 THR A 13 -20.306 -19.868 -8.736 1.00 33.43 H new ATOM 0 HG23 THR A 13 -18.598 -19.696 -8.265 1.00 33.43 H new ATOM 217 N SER A 14 -19.364 -15.267 -7.073 1.00 5.11 N ATOM 218 CA SER A 14 -19.672 -13.964 -6.495 1.00 21.10 C ATOM 219 C SER A 14 -19.463 -12.852 -7.519 1.00 23.43 C ATOM 220 O SER A 14 -20.224 -11.886 -7.566 1.00 63.44 O ATOM 221 CB SER A 14 -18.800 -13.710 -5.264 1.00 12.43 C ATOM 222 OG SER A 14 -19.170 -14.560 -4.192 1.00 55.12 O ATOM 0 H SER A 14 -18.510 -15.695 -6.716 1.00 5.11 H new ATOM 0 HA SER A 14 -20.720 -13.965 -6.195 1.00 21.10 H new ATOM 0 HB2 SER A 14 -17.752 -13.873 -5.517 1.00 12.43 H new ATOM 0 HB3 SER A 14 -18.895 -12.669 -4.956 1.00 12.43 H new ATOM 0 HG SER A 14 -18.597 -14.379 -3.418 1.00 55.12 H new ATOM 228 N ALA A 15 -18.425 -12.997 -8.336 1.00 70.13 N ATOM 229 CA ALA A 15 -18.116 -12.007 -9.361 1.00 22.33 C ATOM 230 C ALA A 15 -19.302 -11.796 -10.295 1.00 40.53 C ATOM 231 O ALA A 15 -19.651 -10.661 -10.625 1.00 31.12 O ATOM 232 CB ALA A 15 -16.888 -12.433 -10.152 1.00 5.53 C ATOM 0 H ALA A 15 -17.784 -13.790 -8.308 1.00 70.13 H new ATOM 0 HA ALA A 15 -17.905 -11.060 -8.865 1.00 22.33 H new ATOM 0 HB1 ALA A 15 -16.668 -11.685 -10.914 1.00 5.53 H new ATOM 0 HB2 ALA A 15 -16.036 -12.526 -9.479 1.00 5.53 H new ATOM 0 HB3 ALA A 15 -17.079 -13.393 -10.631 1.00 5.53 H new ATOM 238 N LEU A 16 -19.918 -12.893 -10.720 1.00 22.20 N ATOM 239 CA LEU A 16 -21.066 -12.828 -11.618 1.00 45.31 C ATOM 240 C LEU A 16 -22.199 -12.018 -10.995 1.00 63.45 C ATOM 241 O LEU A 16 -22.820 -11.188 -11.658 1.00 51.34 O ATOM 242 CB LEU A 16 -21.555 -14.237 -11.955 1.00 75.10 C ATOM 243 CG LEU A 16 -21.370 -14.683 -13.406 1.00 22.43 C ATOM 244 CD1 LEU A 16 -19.900 -14.642 -13.793 1.00 3.11 C ATOM 245 CD2 LEU A 16 -21.938 -16.080 -13.611 1.00 31.00 C ATOM 0 H LEU A 16 -19.642 -13.839 -10.457 1.00 22.20 H new ATOM 0 HA LEU A 16 -20.751 -12.331 -12.536 1.00 45.31 H new ATOM 0 HB2 LEU A 16 -21.035 -14.945 -11.309 1.00 75.10 H new ATOM 0 HB3 LEU A 16 -22.615 -14.301 -11.709 1.00 75.10 H new ATOM 0 HG LEU A 16 -21.914 -13.993 -14.051 1.00 22.43 H new ATOM 0 HD11 LEU A 16 -19.787 -14.963 -14.829 1.00 3.11 H new ATOM 0 HD12 LEU A 16 -19.524 -13.625 -13.685 1.00 3.11 H new ATOM 0 HD13 LEU A 16 -19.334 -15.309 -13.143 1.00 3.11 H new ATOM 0 HD21 LEU A 16 -21.798 -16.381 -14.649 1.00 31.00 H new ATOM 0 HD22 LEU A 16 -21.422 -16.782 -12.957 1.00 31.00 H new ATOM 0 HD23 LEU A 16 -23.002 -16.078 -13.374 1.00 31.00 H new ATOM 257 N LYS A 17 -22.461 -12.265 -9.717 1.00 14.15 N ATOM 258 CA LYS A 17 -23.517 -11.557 -9.002 1.00 30.43 C ATOM 259 C LYS A 17 -23.323 -10.048 -9.099 1.00 4.40 C ATOM 260 O LYS A 17 -24.290 -9.289 -9.159 1.00 15.02 O ATOM 261 CB LYS A 17 -23.542 -11.985 -7.533 1.00 22.44 C ATOM 262 CG LYS A 17 -24.243 -13.312 -7.297 1.00 55.23 C ATOM 263 CD LYS A 17 -25.712 -13.114 -6.960 1.00 42.12 C ATOM 264 CE LYS A 17 -26.187 -14.122 -5.926 1.00 30.53 C ATOM 265 NZ LYS A 17 -25.944 -15.524 -6.365 1.00 71.44 N ATOM 0 H LYS A 17 -21.957 -12.950 -9.154 1.00 14.15 H new ATOM 0 HA LYS A 17 -24.470 -11.813 -9.465 1.00 30.43 H new ATOM 0 HB2 LYS A 17 -22.518 -12.055 -7.166 1.00 22.44 H new ATOM 0 HB3 LYS A 17 -24.039 -11.212 -6.947 1.00 22.44 H new ATOM 0 HG2 LYS A 17 -24.154 -13.935 -8.187 1.00 55.23 H new ATOM 0 HG3 LYS A 17 -23.751 -13.845 -6.484 1.00 55.23 H new ATOM 0 HD2 LYS A 17 -25.867 -12.103 -6.582 1.00 42.12 H new ATOM 0 HD3 LYS A 17 -26.310 -13.211 -7.866 1.00 42.12 H new ATOM 0 HE2 LYS A 17 -25.673 -13.943 -4.982 1.00 30.53 H new ATOM 0 HE3 LYS A 17 -27.252 -13.979 -5.742 1.00 30.53 H new ATOM 0 HZ1 LYS A 17 -26.854 -16.013 -6.484 1.00 71.44 H new ATOM 0 HZ2 LYS A 17 -25.432 -15.521 -7.270 1.00 71.44 H new ATOM 0 HZ3 LYS A 17 -25.376 -16.019 -5.648 1.00 71.44 H new ATOM 279 N LYS A 18 -22.066 -9.617 -9.116 1.00 24.42 N ATOM 280 CA LYS A 18 -21.743 -8.198 -9.209 1.00 32.52 C ATOM 281 C LYS A 18 -21.889 -7.700 -10.643 1.00 60.31 C ATOM 282 O LYS A 18 -22.291 -6.560 -10.877 1.00 44.42 O ATOM 283 CB LYS A 18 -20.318 -7.945 -8.712 1.00 12.41 C ATOM 284 CG LYS A 18 -20.240 -7.617 -7.231 1.00 22.32 C ATOM 285 CD LYS A 18 -18.830 -7.797 -6.694 1.00 4.40 C ATOM 286 CE LYS A 18 -18.515 -9.261 -6.432 1.00 61.41 C ATOM 287 NZ LYS A 18 -17.048 -9.514 -6.385 1.00 10.21 N ATOM 0 H LYS A 18 -21.253 -10.231 -9.066 1.00 24.42 H new ATOM 0 HA LYS A 18 -22.443 -7.649 -8.580 1.00 32.52 H new ATOM 0 HB2 LYS A 18 -19.710 -8.827 -8.913 1.00 12.41 H new ATOM 0 HB3 LYS A 18 -19.884 -7.123 -9.281 1.00 12.41 H new ATOM 0 HG2 LYS A 18 -20.564 -6.589 -7.067 1.00 22.32 H new ATOM 0 HG3 LYS A 18 -20.926 -8.259 -6.678 1.00 22.32 H new ATOM 0 HD2 LYS A 18 -18.113 -7.392 -7.408 1.00 4.40 H new ATOM 0 HD3 LYS A 18 -18.716 -7.229 -5.771 1.00 4.40 H new ATOM 0 HE2 LYS A 18 -18.966 -9.566 -5.488 1.00 61.41 H new ATOM 0 HE3 LYS A 18 -18.964 -9.874 -7.213 1.00 61.41 H new ATOM 0 HZ1 LYS A 18 -16.875 -10.524 -6.204 1.00 10.21 H new ATOM 0 HZ2 LYS A 18 -16.620 -9.247 -7.295 1.00 10.21 H new ATOM 0 HZ3 LYS A 18 -16.622 -8.948 -5.623 1.00 10.21 H new ATOM 301 N LEU A 19 -21.562 -8.562 -11.600 1.00 10.01 N ATOM 302 CA LEU A 19 -21.658 -8.210 -13.012 1.00 52.23 C ATOM 303 C LEU A 19 -23.086 -7.820 -13.380 1.00 73.33 C ATOM 304 O LEU A 19 -23.325 -6.749 -13.939 1.00 23.42 O ATOM 305 CB LEU A 19 -21.196 -9.380 -13.883 1.00 12.25 C ATOM 306 CG LEU A 19 -19.711 -9.400 -14.248 1.00 15.55 C ATOM 307 CD1 LEU A 19 -19.326 -10.745 -14.843 1.00 40.31 C ATOM 308 CD2 LEU A 19 -19.385 -8.272 -15.216 1.00 74.23 C ATOM 0 H LEU A 19 -21.228 -9.510 -11.423 1.00 10.01 H new ATOM 0 HA LEU A 19 -21.009 -7.353 -13.192 1.00 52.23 H new ATOM 0 HB2 LEU A 19 -21.435 -10.309 -13.365 1.00 12.25 H new ATOM 0 HB3 LEU A 19 -21.776 -9.371 -14.806 1.00 12.25 H new ATOM 0 HG LEU A 19 -19.130 -9.250 -13.338 1.00 15.55 H new ATOM 0 HD11 LEU A 19 -18.266 -10.741 -15.097 1.00 40.31 H new ATOM 0 HD12 LEU A 19 -19.522 -11.534 -14.117 1.00 40.31 H new ATOM 0 HD13 LEU A 19 -19.914 -10.926 -15.743 1.00 40.31 H new ATOM 0 HD21 LEU A 19 -18.324 -8.301 -15.465 1.00 74.23 H new ATOM 0 HD22 LEU A 19 -19.974 -8.391 -16.125 1.00 74.23 H new ATOM 0 HD23 LEU A 19 -19.623 -7.315 -14.752 1.00 74.23 H new ATOM 320 N VAL A 20 -24.034 -8.696 -13.062 1.00 30.34 N ATOM 321 CA VAL A 20 -25.439 -8.443 -13.356 1.00 14.15 C ATOM 322 C VAL A 20 -25.935 -7.195 -12.634 1.00 53.34 C ATOM 323 O VAL A 20 -26.857 -6.522 -13.098 1.00 22.43 O ATOM 324 CB VAL A 20 -26.322 -9.640 -12.953 1.00 4.41 C ATOM 325 CG1 VAL A 20 -26.356 -9.793 -11.440 1.00 12.40 C ATOM 326 CG2 VAL A 20 -27.727 -9.477 -13.513 1.00 23.31 C ATOM 0 H VAL A 20 -23.854 -9.588 -12.600 1.00 30.34 H new ATOM 0 HA VAL A 20 -25.514 -8.291 -14.433 1.00 14.15 H new ATOM 0 HB VAL A 20 -25.890 -10.547 -13.376 1.00 4.41 H new ATOM 0 HG11 VAL A 20 -26.984 -10.643 -11.174 1.00 12.40 H new ATOM 0 HG12 VAL A 20 -25.345 -9.959 -11.068 1.00 12.40 H new ATOM 0 HG13 VAL A 20 -26.763 -8.887 -10.992 1.00 12.40 H new ATOM 0 HG21 VAL A 20 -28.337 -10.331 -13.219 1.00 23.31 H new ATOM 0 HG22 VAL A 20 -28.171 -8.562 -13.121 1.00 23.31 H new ATOM 0 HG23 VAL A 20 -27.681 -9.421 -14.601 1.00 23.31 H new ATOM 336 N ASP A 21 -25.318 -6.890 -11.498 1.00 62.13 N ATOM 337 CA ASP A 21 -25.695 -5.721 -10.713 1.00 11.23 C ATOM 338 C ASP A 21 -25.104 -4.449 -11.313 1.00 21.00 C ATOM 339 O ASP A 21 -25.725 -3.387 -11.280 1.00 13.43 O ATOM 340 CB ASP A 21 -25.229 -5.881 -9.265 1.00 10.32 C ATOM 341 CG ASP A 21 -25.983 -4.975 -8.311 1.00 23.24 C ATOM 342 OD1 ASP A 21 -27.195 -4.767 -8.524 1.00 52.10 O ATOM 343 OD2 ASP A 21 -25.360 -4.474 -7.351 1.00 21.01 O ATOM 0 H ASP A 21 -24.554 -7.436 -11.100 1.00 62.13 H new ATOM 0 HA ASP A 21 -26.782 -5.638 -10.730 1.00 11.23 H new ATOM 0 HB2 ASP A 21 -25.360 -6.918 -8.957 1.00 10.32 H new ATOM 0 HB3 ASP A 21 -24.163 -5.662 -9.203 1.00 10.32 H new ATOM 348 N LYS A 22 -23.899 -4.564 -11.861 1.00 21.22 N ATOM 349 CA LYS A 22 -23.222 -3.425 -12.469 1.00 54.30 C ATOM 350 C LYS A 22 -23.393 -3.436 -13.985 1.00 35.03 C ATOM 351 O LYS A 22 -22.600 -2.839 -14.713 1.00 72.21 O ATOM 352 CB LYS A 22 -21.734 -3.440 -12.113 1.00 51.50 C ATOM 353 CG LYS A 22 -21.466 -3.454 -10.618 1.00 14.50 C ATOM 354 CD LYS A 22 -20.147 -4.134 -10.294 1.00 41.11 C ATOM 355 CE LYS A 22 -20.079 -4.552 -8.833 1.00 51.22 C ATOM 356 NZ LYS A 22 -18.708 -4.981 -8.442 1.00 61.32 N ATOM 0 H LYS A 22 -23.371 -5.436 -11.896 1.00 21.22 H new ATOM 0 HA LYS A 22 -23.674 -2.514 -12.077 1.00 54.30 H new ATOM 0 HB2 LYS A 22 -21.270 -4.317 -12.565 1.00 51.50 H new ATOM 0 HB3 LYS A 22 -21.255 -2.564 -12.551 1.00 51.50 H new ATOM 0 HG2 LYS A 22 -21.451 -2.432 -10.241 1.00 14.50 H new ATOM 0 HG3 LYS A 22 -22.278 -3.971 -10.107 1.00 14.50 H new ATOM 0 HD2 LYS A 22 -20.022 -5.010 -10.930 1.00 41.11 H new ATOM 0 HD3 LYS A 22 -19.323 -3.457 -10.519 1.00 41.11 H new ATOM 0 HE2 LYS A 22 -20.393 -3.720 -8.202 1.00 51.22 H new ATOM 0 HE3 LYS A 22 -20.779 -5.368 -8.656 1.00 51.22 H new ATOM 0 HZ1 LYS A 22 -18.696 -5.226 -7.431 1.00 61.32 H new ATOM 0 HZ2 LYS A 22 -18.431 -5.812 -9.003 1.00 61.32 H new ATOM 0 HZ3 LYS A 22 -18.038 -4.205 -8.619 1.00 61.32 H new ATOM 370 N TYR A 23 -24.434 -4.117 -14.453 1.00 5.21 N ATOM 371 CA TYR A 23 -24.708 -4.206 -15.882 1.00 61.11 C ATOM 372 C TYR A 23 -25.056 -2.836 -16.457 1.00 25.23 C ATOM 373 O TYR A 23 -24.577 -2.460 -17.527 1.00 2.13 O ATOM 374 CB TYR A 23 -25.853 -5.186 -16.143 1.00 22.43 C ATOM 375 CG TYR A 23 -26.133 -5.414 -17.611 1.00 43.11 C ATOM 376 CD1 TYR A 23 -26.917 -4.524 -18.335 1.00 0.02 C ATOM 377 CD2 TYR A 23 -25.614 -6.519 -18.274 1.00 40.15 C ATOM 378 CE1 TYR A 23 -27.176 -4.728 -19.676 1.00 71.04 C ATOM 379 CE2 TYR A 23 -25.867 -6.730 -19.616 1.00 64.11 C ATOM 380 CZ TYR A 23 -26.648 -5.832 -20.313 1.00 33.24 C ATOM 381 OH TYR A 23 -26.903 -6.040 -21.649 1.00 14.23 O ATOM 0 H TYR A 23 -25.101 -4.615 -13.864 1.00 5.21 H new ATOM 0 HA TYR A 23 -23.807 -4.569 -16.376 1.00 61.11 H new ATOM 0 HB2 TYR A 23 -25.616 -6.141 -15.674 1.00 22.43 H new ATOM 0 HB3 TYR A 23 -26.757 -4.811 -15.663 1.00 22.43 H new ATOM 0 HD1 TYR A 23 -27.331 -3.658 -17.840 1.00 0.02 H new ATOM 0 HD2 TYR A 23 -25.003 -7.225 -17.732 1.00 40.15 H new ATOM 0 HE1 TYR A 23 -27.789 -4.027 -20.223 1.00 71.04 H new ATOM 0 HE2 TYR A 23 -25.455 -7.594 -20.117 1.00 64.11 H new ATOM 0 HH TYR A 23 -26.457 -6.861 -21.943 1.00 14.23 H new ATOM 391 N ARG A 24 -25.892 -2.095 -15.737 1.00 44.02 N ATOM 392 CA ARG A 24 -26.305 -0.767 -16.174 1.00 42.14 C ATOM 393 C ARG A 24 -25.370 0.304 -15.618 1.00 74.44 C ATOM 394 O ARG A 24 -25.675 1.494 -15.668 1.00 55.33 O ATOM 395 CB ARG A 24 -27.742 -0.485 -15.731 1.00 43.04 C ATOM 396 CG ARG A 24 -28.709 -1.614 -16.046 1.00 62.43 C ATOM 397 CD ARG A 24 -28.957 -2.491 -14.829 1.00 20.12 C ATOM 398 NE ARG A 24 -30.186 -2.124 -14.131 1.00 53.41 N ATOM 399 CZ ARG A 24 -30.634 -2.753 -13.050 1.00 52.05 C ATOM 400 NH1 ARG A 24 -29.957 -3.775 -12.546 1.00 71.33 N ATOM 401 NH2 ARG A 24 -31.762 -2.360 -12.472 1.00 5.44 N ATOM 0 H ARG A 24 -26.296 -2.392 -14.849 1.00 44.02 H new ATOM 0 HA ARG A 24 -26.255 -0.738 -17.262 1.00 42.14 H new ATOM 0 HB2 ARG A 24 -27.752 -0.298 -14.657 1.00 43.04 H new ATOM 0 HB3 ARG A 24 -28.091 0.427 -16.216 1.00 43.04 H new ATOM 0 HG2 ARG A 24 -29.654 -1.198 -16.395 1.00 62.43 H new ATOM 0 HG3 ARG A 24 -28.309 -2.221 -16.858 1.00 62.43 H new ATOM 0 HD2 ARG A 24 -29.014 -3.534 -15.140 1.00 20.12 H new ATOM 0 HD3 ARG A 24 -28.113 -2.408 -14.144 1.00 20.12 H new ATOM 0 HE ARG A 24 -30.731 -1.341 -14.493 1.00 53.41 H new ATOM 0 HH11 ARG A 24 -29.090 -4.080 -12.988 1.00 71.33 H new ATOM 0 HH12 ARG A 24 -30.303 -4.256 -11.716 1.00 71.33 H new ATOM 0 HH21 ARG A 24 -32.286 -1.574 -12.858 1.00 5.44 H new ATOM 0 HH22 ARG A 24 -32.105 -2.844 -11.642 1.00 5.44 H new ATOM 415 N ASN A 25 -24.231 -0.130 -15.088 1.00 52.24 N ATOM 416 CA ASN A 25 -23.253 0.791 -14.522 1.00 4.31 C ATOM 417 C ASN A 25 -22.060 0.962 -15.458 1.00 54.05 C ATOM 418 O ASN A 25 -21.540 2.066 -15.622 1.00 61.45 O ATOM 419 CB ASN A 25 -22.776 0.287 -13.158 1.00 71.43 C ATOM 420 CG ASN A 25 -23.815 0.489 -12.072 1.00 25.22 C ATOM 421 OD1 ASN A 25 -23.626 1.294 -11.160 1.00 55.52 O ATOM 422 ND2 ASN A 25 -24.918 -0.244 -12.164 1.00 61.34 N ATOM 0 H ASN A 25 -23.963 -1.113 -15.039 1.00 52.24 H new ATOM 0 HA ASN A 25 -23.735 1.760 -14.396 1.00 4.31 H new ATOM 0 HB2 ASN A 25 -22.531 -0.773 -13.230 1.00 71.43 H new ATOM 0 HB3 ASN A 25 -21.859 0.808 -12.881 1.00 71.43 H new ATOM 0 HD21 ASN A 25 -25.651 -0.152 -11.461 1.00 61.34 H new ATOM 0 HD22 ASN A 25 -25.032 -0.899 -12.938 1.00 61.34 H new ATOM 429 N ASP A 26 -21.634 -0.137 -16.070 1.00 61.15 N ATOM 430 CA ASP A 26 -20.504 -0.110 -16.992 1.00 52.53 C ATOM 431 C ASP A 26 -20.906 -0.652 -18.360 1.00 62.14 C ATOM 432 O ASP A 26 -21.455 -1.748 -18.467 1.00 14.25 O ATOM 433 CB ASP A 26 -19.339 -0.924 -16.429 1.00 22.11 C ATOM 434 CG ASP A 26 -18.371 -0.074 -15.630 1.00 1.22 C ATOM 435 OD1 ASP A 26 -17.571 0.658 -16.251 1.00 21.53 O ATOM 436 OD2 ASP A 26 -18.414 -0.139 -14.384 1.00 0.23 O ATOM 0 H ASP A 26 -22.054 -1.058 -15.945 1.00 61.15 H new ATOM 0 HA ASP A 26 -20.188 0.927 -17.110 1.00 52.53 H new ATOM 0 HB2 ASP A 26 -19.729 -1.719 -15.794 1.00 22.11 H new ATOM 0 HB3 ASP A 26 -18.805 -1.404 -17.249 1.00 22.11 H new ATOM 441 N GLU A 27 -20.628 0.124 -19.404 1.00 32.52 N ATOM 442 CA GLU A 27 -20.963 -0.279 -20.765 1.00 22.43 C ATOM 443 C GLU A 27 -20.179 -1.524 -21.172 1.00 42.41 C ATOM 444 O GLU A 27 -20.724 -2.441 -21.787 1.00 3.11 O ATOM 445 CB GLU A 27 -20.675 0.861 -21.743 1.00 53.22 C ATOM 446 CG GLU A 27 -19.239 1.354 -21.698 1.00 43.21 C ATOM 447 CD GLU A 27 -19.107 2.807 -22.114 1.00 31.45 C ATOM 448 OE1 GLU A 27 -19.451 3.125 -23.271 1.00 41.42 O ATOM 449 OE2 GLU A 27 -18.660 3.624 -21.282 1.00 55.00 O ATOM 0 H GLU A 27 -20.172 1.034 -19.333 1.00 32.52 H new ATOM 0 HA GLU A 27 -22.027 -0.514 -20.796 1.00 22.43 H new ATOM 0 HB2 GLU A 27 -20.904 0.527 -22.755 1.00 53.22 H new ATOM 0 HB3 GLU A 27 -21.343 1.694 -21.524 1.00 53.22 H new ATOM 0 HG2 GLU A 27 -18.849 1.232 -20.688 1.00 43.21 H new ATOM 0 HG3 GLU A 27 -18.626 0.735 -22.353 1.00 43.21 H new ATOM 456 N HIS A 28 -18.896 -1.547 -20.825 1.00 63.24 N ATOM 457 CA HIS A 28 -18.035 -2.678 -21.155 1.00 35.25 C ATOM 458 C HIS A 28 -18.585 -3.970 -20.557 1.00 63.33 C ATOM 459 O HIS A 28 -18.392 -5.053 -21.111 1.00 32.03 O ATOM 460 CB HIS A 28 -16.615 -2.431 -20.646 1.00 11.23 C ATOM 461 CG HIS A 28 -15.784 -1.596 -21.571 1.00 32.30 C ATOM 462 ND1 HIS A 28 -14.407 -1.551 -21.512 1.00 33.00 N ATOM 463 CD2 HIS A 28 -16.143 -0.773 -22.583 1.00 51.35 C ATOM 464 CE1 HIS A 28 -13.955 -0.734 -22.447 1.00 33.41 C ATOM 465 NE2 HIS A 28 -14.989 -0.249 -23.111 1.00 65.34 N ATOM 0 H HIS A 28 -18.430 -0.796 -20.316 1.00 63.24 H new ATOM 0 HA HIS A 28 -18.011 -2.781 -22.240 1.00 35.25 H new ATOM 0 HB2 HIS A 28 -16.666 -1.940 -19.674 1.00 11.23 H new ATOM 0 HB3 HIS A 28 -16.121 -3.390 -20.493 1.00 11.23 H new ATOM 0 HD2 HIS A 28 -17.150 -0.567 -22.914 1.00 51.35 H new ATOM 0 HE1 HIS A 28 -12.917 -0.502 -22.636 1.00 33.41 H new ATOM 0 HE2 HIS A 28 -14.938 0.408 -23.890 1.00 65.34 H new ATOM 474 N VAL A 29 -19.269 -3.849 -19.424 1.00 41.11 N ATOM 475 CA VAL A 29 -19.846 -5.007 -18.752 1.00 12.22 C ATOM 476 C VAL A 29 -21.045 -5.548 -19.522 1.00 73.11 C ATOM 477 O VAL A 29 -21.291 -6.754 -19.540 1.00 71.34 O ATOM 478 CB VAL A 29 -20.285 -4.661 -17.317 1.00 34.24 C ATOM 479 CG1 VAL A 29 -20.930 -5.867 -16.650 1.00 61.22 C ATOM 480 CG2 VAL A 29 -19.101 -4.162 -16.503 1.00 40.20 C ATOM 0 H VAL A 29 -19.437 -2.960 -18.952 1.00 41.11 H new ATOM 0 HA VAL A 29 -19.069 -5.770 -18.713 1.00 12.22 H new ATOM 0 HB VAL A 29 -21.026 -3.863 -17.365 1.00 34.24 H new ATOM 0 HG11 VAL A 29 -21.234 -5.603 -15.637 1.00 61.22 H new ATOM 0 HG12 VAL A 29 -21.805 -6.175 -17.223 1.00 61.22 H new ATOM 0 HG13 VAL A 29 -20.214 -6.688 -16.612 1.00 61.22 H new ATOM 0 HG21 VAL A 29 -19.430 -3.922 -15.492 1.00 40.20 H new ATOM 0 HG22 VAL A 29 -18.336 -4.937 -16.462 1.00 40.20 H new ATOM 0 HG23 VAL A 29 -18.688 -3.269 -16.972 1.00 40.20 H new ATOM 490 N ARG A 30 -21.789 -4.648 -20.158 1.00 24.23 N ATOM 491 CA ARG A 30 -22.963 -5.035 -20.930 1.00 31.42 C ATOM 492 C ARG A 30 -22.573 -5.932 -22.101 1.00 24.32 C ATOM 493 O ARG A 30 -23.100 -7.034 -22.256 1.00 53.25 O ATOM 494 CB ARG A 30 -23.693 -3.794 -21.446 1.00 4.33 C ATOM 495 CG ARG A 30 -24.043 -2.796 -20.354 1.00 41.52 C ATOM 496 CD ARG A 30 -24.610 -1.510 -20.936 1.00 3.00 C ATOM 497 NE ARG A 30 -25.869 -1.736 -21.640 1.00 33.44 N ATOM 498 CZ ARG A 30 -26.679 -0.758 -22.031 1.00 23.44 C ATOM 499 NH1 ARG A 30 -26.361 0.506 -21.788 1.00 75.04 N ATOM 500 NH2 ARG A 30 -27.808 -1.044 -22.666 1.00 60.20 N ATOM 0 H ARG A 30 -21.599 -3.646 -20.153 1.00 24.23 H new ATOM 0 HA ARG A 30 -23.630 -5.594 -20.273 1.00 31.42 H new ATOM 0 HB2 ARG A 30 -23.070 -3.300 -22.192 1.00 4.33 H new ATOM 0 HB3 ARG A 30 -24.608 -4.104 -21.950 1.00 4.33 H new ATOM 0 HG2 ARG A 30 -24.769 -3.240 -19.673 1.00 41.52 H new ATOM 0 HG3 ARG A 30 -23.153 -2.570 -19.767 1.00 41.52 H new ATOM 0 HD2 ARG A 30 -24.767 -0.788 -20.135 1.00 3.00 H new ATOM 0 HD3 ARG A 30 -23.885 -1.072 -21.622 1.00 3.00 H new ATOM 0 HE ARG A 30 -26.142 -2.698 -21.843 1.00 33.44 H new ATOM 0 HH11 ARG A 30 -25.493 0.729 -21.300 1.00 75.04 H new ATOM 0 HH12 ARG A 30 -26.984 1.256 -22.089 1.00 75.04 H new ATOM 0 HH21 ARG A 30 -28.055 -2.015 -22.855 1.00 60.20 H new ATOM 0 HH22 ARG A 30 -28.429 -0.292 -22.966 1.00 60.20 H new ATOM 514 N LYS A 31 -21.645 -5.453 -22.923 1.00 31.13 N ATOM 515 CA LYS A 31 -21.182 -6.210 -24.080 1.00 33.34 C ATOM 516 C LYS A 31 -20.544 -7.527 -23.648 1.00 75.13 C ATOM 517 O LYS A 31 -20.673 -8.543 -24.331 1.00 22.50 O ATOM 518 CB LYS A 31 -20.178 -5.385 -24.887 1.00 5.15 C ATOM 519 CG LYS A 31 -18.807 -5.292 -24.238 1.00 51.33 C ATOM 520 CD LYS A 31 -17.831 -4.517 -25.107 1.00 42.52 C ATOM 521 CE LYS A 31 -17.124 -5.427 -26.100 1.00 3.24 C ATOM 522 NZ LYS A 31 -17.967 -5.705 -27.295 1.00 44.33 N ATOM 0 H LYS A 31 -21.198 -4.543 -22.809 1.00 31.13 H new ATOM 0 HA LYS A 31 -22.046 -6.433 -24.706 1.00 33.34 H new ATOM 0 HB2 LYS A 31 -20.072 -5.825 -25.879 1.00 5.15 H new ATOM 0 HB3 LYS A 31 -20.575 -4.379 -25.025 1.00 5.15 H new ATOM 0 HG2 LYS A 31 -18.896 -4.806 -23.266 1.00 51.33 H new ATOM 0 HG3 LYS A 31 -18.419 -6.295 -24.059 1.00 51.33 H new ATOM 0 HD2 LYS A 31 -18.365 -3.734 -25.646 1.00 42.52 H new ATOM 0 HD3 LYS A 31 -17.093 -4.023 -24.475 1.00 42.52 H new ATOM 0 HE2 LYS A 31 -16.189 -4.964 -26.415 1.00 3.24 H new ATOM 0 HE3 LYS A 31 -16.866 -6.366 -25.611 1.00 3.24 H new ATOM 0 HZ1 LYS A 31 -17.360 -5.794 -28.135 1.00 44.33 H new ATOM 0 HZ2 LYS A 31 -18.491 -6.591 -27.151 1.00 44.33 H new ATOM 0 HZ3 LYS A 31 -18.639 -4.924 -27.435 1.00 44.33 H new ATOM 536 N VAL A 32 -19.858 -7.502 -22.510 1.00 62.14 N ATOM 537 CA VAL A 32 -19.202 -8.695 -21.987 1.00 13.42 C ATOM 538 C VAL A 32 -20.225 -9.712 -21.494 1.00 21.13 C ATOM 539 O VAL A 32 -20.157 -10.893 -21.837 1.00 55.52 O ATOM 540 CB VAL A 32 -18.243 -8.347 -20.833 1.00 40.20 C ATOM 541 CG1 VAL A 32 -17.793 -9.609 -20.114 1.00 22.32 C ATOM 542 CG2 VAL A 32 -17.047 -7.564 -21.353 1.00 23.11 C ATOM 0 H VAL A 32 -19.742 -6.669 -21.933 1.00 62.14 H new ATOM 0 HA VAL A 32 -18.630 -9.128 -22.807 1.00 13.42 H new ATOM 0 HB VAL A 32 -18.775 -7.720 -20.117 1.00 40.20 H new ATOM 0 HG11 VAL A 32 -17.116 -9.343 -19.302 1.00 22.32 H new ATOM 0 HG12 VAL A 32 -18.662 -10.126 -19.707 1.00 22.32 H new ATOM 0 HG13 VAL A 32 -17.277 -10.264 -20.817 1.00 22.32 H new ATOM 0 HG21 VAL A 32 -16.380 -7.326 -20.525 1.00 23.11 H new ATOM 0 HG22 VAL A 32 -16.512 -8.164 -22.089 1.00 23.11 H new ATOM 0 HG23 VAL A 32 -17.391 -6.640 -21.818 1.00 23.11 H new ATOM 552 N PHE A 33 -21.172 -9.247 -20.686 1.00 55.04 N ATOM 553 CA PHE A 33 -22.210 -10.117 -20.145 1.00 12.30 C ATOM 554 C PHE A 33 -23.176 -10.558 -21.241 1.00 14.25 C ATOM 555 O PHE A 33 -23.834 -11.592 -21.124 1.00 30.04 O ATOM 556 CB PHE A 33 -22.977 -9.399 -19.032 1.00 23.53 C ATOM 557 CG PHE A 33 -23.299 -10.283 -17.861 1.00 33.03 C ATOM 558 CD1 PHE A 33 -22.297 -10.725 -17.012 1.00 41.14 C ATOM 559 CD2 PHE A 33 -24.605 -10.672 -17.609 1.00 31.14 C ATOM 560 CE1 PHE A 33 -22.590 -11.538 -15.934 1.00 14.23 C ATOM 561 CE2 PHE A 33 -24.905 -11.484 -16.531 1.00 64.43 C ATOM 562 CZ PHE A 33 -23.896 -11.919 -15.694 1.00 0.24 C ATOM 0 H PHE A 33 -21.242 -8.273 -20.391 1.00 55.04 H new ATOM 0 HA PHE A 33 -21.728 -11.003 -19.732 1.00 12.30 H new ATOM 0 HB2 PHE A 33 -22.388 -8.550 -18.685 1.00 23.53 H new ATOM 0 HB3 PHE A 33 -23.905 -8.998 -19.441 1.00 23.53 H new ATOM 0 HD1 PHE A 33 -21.274 -10.430 -17.195 1.00 41.14 H new ATOM 0 HD2 PHE A 33 -25.397 -10.337 -18.262 1.00 31.14 H new ATOM 0 HE1 PHE A 33 -21.799 -11.875 -15.280 1.00 14.23 H new ATOM 0 HE2 PHE A 33 -25.927 -11.778 -16.344 1.00 64.43 H new ATOM 0 HZ PHE A 33 -24.128 -12.556 -14.853 1.00 0.24 H new ATOM 572 N ASP A 34 -23.257 -9.766 -22.304 1.00 2.20 N ATOM 573 CA ASP A 34 -24.142 -10.074 -23.421 1.00 42.44 C ATOM 574 C ASP A 34 -23.618 -11.265 -24.218 1.00 4.44 C ATOM 575 O ASP A 34 -24.361 -12.197 -24.518 1.00 75.52 O ATOM 576 CB ASP A 34 -24.286 -8.856 -24.336 1.00 64.32 C ATOM 577 CG ASP A 34 -24.939 -9.201 -25.660 1.00 43.12 C ATOM 578 OD1 ASP A 34 -24.247 -9.765 -26.533 1.00 41.35 O ATOM 579 OD2 ASP A 34 -26.141 -8.906 -25.823 1.00 74.15 O ATOM 0 H ASP A 34 -22.720 -8.906 -22.416 1.00 2.20 H new ATOM 0 HA ASP A 34 -25.120 -10.333 -23.016 1.00 42.44 H new ATOM 0 HB2 ASP A 34 -24.878 -8.093 -23.830 1.00 64.32 H new ATOM 0 HB3 ASP A 34 -23.302 -8.426 -24.521 1.00 64.32 H new ATOM 584 N GLU A 35 -22.333 -11.224 -24.556 1.00 63.25 N ATOM 585 CA GLU A 35 -21.711 -12.300 -25.320 1.00 5.24 C ATOM 586 C GLU A 35 -21.649 -13.585 -24.499 1.00 12.45 C ATOM 587 O GLU A 35 -21.849 -14.680 -25.025 1.00 3.23 O ATOM 588 CB GLU A 35 -20.302 -11.895 -25.759 1.00 1.41 C ATOM 589 CG GLU A 35 -19.394 -11.502 -24.606 1.00 22.44 C ATOM 590 CD GLU A 35 -18.001 -11.116 -25.065 1.00 32.32 C ATOM 591 OE1 GLU A 35 -17.847 -10.748 -26.248 1.00 3.13 O ATOM 592 OE2 GLU A 35 -17.066 -11.183 -24.240 1.00 44.30 O ATOM 0 H GLU A 35 -21.703 -10.459 -24.314 1.00 63.25 H new ATOM 0 HA GLU A 35 -22.322 -12.483 -26.204 1.00 5.24 H new ATOM 0 HB2 GLU A 35 -19.848 -12.724 -26.302 1.00 1.41 H new ATOM 0 HB3 GLU A 35 -20.374 -11.059 -26.455 1.00 1.41 H new ATOM 0 HG2 GLU A 35 -19.839 -10.666 -24.067 1.00 22.44 H new ATOM 0 HG3 GLU A 35 -19.324 -12.333 -23.904 1.00 22.44 H new ATOM 599 N ILE A 36 -21.372 -13.442 -23.207 1.00 45.41 N ATOM 600 CA ILE A 36 -21.284 -14.590 -22.313 1.00 54.33 C ATOM 601 C ILE A 36 -22.652 -15.232 -22.109 1.00 31.23 C ATOM 602 O ILE A 36 -22.826 -16.429 -22.336 1.00 71.01 O ATOM 603 CB ILE A 36 -20.706 -14.193 -20.942 1.00 63.22 C ATOM 604 CG1 ILE A 36 -19.307 -13.596 -21.108 1.00 65.51 C ATOM 605 CG2 ILE A 36 -20.667 -15.399 -20.015 1.00 42.20 C ATOM 606 CD1 ILE A 36 -18.891 -12.703 -19.961 1.00 2.15 C ATOM 0 H ILE A 36 -21.205 -12.542 -22.756 1.00 45.41 H new ATOM 0 HA ILE A 36 -20.614 -15.308 -22.786 1.00 54.33 H new ATOM 0 HB ILE A 36 -21.352 -13.437 -20.496 1.00 63.22 H new ATOM 0 HG12 ILE A 36 -18.585 -14.406 -21.207 1.00 65.51 H new ATOM 0 HG13 ILE A 36 -19.273 -13.023 -22.035 1.00 65.51 H new ATOM 0 HG21 ILE A 36 -20.256 -15.103 -19.050 1.00 42.20 H new ATOM 0 HG22 ILE A 36 -21.677 -15.784 -19.877 1.00 42.20 H new ATOM 0 HG23 ILE A 36 -20.040 -16.175 -20.454 1.00 42.20 H new ATOM 0 HD11 ILE A 36 -17.889 -12.315 -20.146 1.00 2.15 H new ATOM 0 HD12 ILE A 36 -19.591 -11.872 -19.874 1.00 2.15 H new ATOM 0 HD13 ILE A 36 -18.892 -13.277 -19.034 1.00 2.15 H new ATOM 618 N GLN A 37 -23.619 -14.428 -21.680 1.00 14.12 N ATOM 619 CA GLN A 37 -24.972 -14.918 -21.446 1.00 35.41 C ATOM 620 C GLN A 37 -25.462 -15.751 -22.627 1.00 5.44 C ATOM 621 O GLN A 37 -26.178 -16.735 -22.449 1.00 23.43 O ATOM 622 CB GLN A 37 -25.927 -13.748 -21.201 1.00 63.15 C ATOM 623 CG GLN A 37 -25.948 -13.272 -19.758 1.00 41.41 C ATOM 624 CD GLN A 37 -26.727 -11.984 -19.580 1.00 54.41 C ATOM 625 OE1 GLN A 37 -27.603 -11.888 -18.720 1.00 31.33 O ATOM 626 NE2 GLN A 37 -26.413 -10.983 -20.395 1.00 24.42 N ATOM 0 H GLN A 37 -23.491 -13.435 -21.487 1.00 14.12 H new ATOM 0 HA GLN A 37 -24.952 -15.553 -20.560 1.00 35.41 H new ATOM 0 HB2 GLN A 37 -25.642 -12.916 -21.845 1.00 63.15 H new ATOM 0 HB3 GLN A 37 -26.935 -14.045 -21.491 1.00 63.15 H new ATOM 0 HG2 GLN A 37 -26.387 -14.047 -19.130 1.00 41.41 H new ATOM 0 HG3 GLN A 37 -24.925 -13.124 -19.413 1.00 41.41 H new ATOM 0 HE21 GLN A 37 -25.680 -11.105 -21.094 1.00 24.42 H new ATOM 0 HE22 GLN A 37 -26.905 -10.092 -20.322 1.00 24.42 H new ATOM 635 N GLN A 38 -25.070 -15.347 -23.831 1.00 60.40 N ATOM 636 CA GLN A 38 -25.470 -16.056 -25.041 1.00 31.22 C ATOM 637 C GLN A 38 -24.693 -17.360 -25.190 1.00 44.34 C ATOM 638 O GLN A 38 -25.276 -18.444 -25.214 1.00 3.23 O ATOM 639 CB GLN A 38 -25.250 -15.173 -26.271 1.00 33.54 C ATOM 640 CG GLN A 38 -26.194 -13.984 -26.343 1.00 34.25 C ATOM 641 CD GLN A 38 -27.498 -14.315 -27.042 1.00 31.53 C ATOM 642 OE1 GLN A 38 -27.717 -13.925 -28.189 1.00 15.13 O ATOM 643 NE2 GLN A 38 -28.372 -15.040 -26.353 1.00 12.22 N ATOM 0 H GLN A 38 -24.477 -14.534 -23.995 1.00 60.40 H new ATOM 0 HA GLN A 38 -26.530 -16.294 -24.959 1.00 31.22 H new ATOM 0 HB2 GLN A 38 -24.222 -14.811 -26.269 1.00 33.54 H new ATOM 0 HB3 GLN A 38 -25.372 -15.778 -27.169 1.00 33.54 H new ATOM 0 HG2 GLN A 38 -26.407 -13.632 -25.333 1.00 34.25 H new ATOM 0 HG3 GLN A 38 -25.702 -13.166 -26.869 1.00 34.25 H new ATOM 0 HE21 GLN A 38 -28.149 -15.342 -25.405 1.00 12.22 H new ATOM 0 HE22 GLN A 38 -29.266 -15.295 -26.772 1.00 12.22 H new ATOM 652 N LYS A 39 -23.373 -17.247 -25.292 1.00 24.11 N ATOM 653 CA LYS A 39 -22.514 -18.416 -25.438 1.00 64.25 C ATOM 654 C LYS A 39 -22.785 -19.433 -24.334 1.00 52.23 C ATOM 655 O LYS A 39 -22.599 -20.636 -24.524 1.00 40.42 O ATOM 656 CB LYS A 39 -21.041 -17.999 -25.412 1.00 33.34 C ATOM 657 CG LYS A 39 -20.474 -17.862 -24.010 1.00 25.15 C ATOM 658 CD LYS A 39 -19.016 -17.433 -24.038 1.00 31.04 C ATOM 659 CE LYS A 39 -18.179 -18.237 -23.055 1.00 32.52 C ATOM 660 NZ LYS A 39 -16.721 -18.090 -23.318 1.00 21.33 N ATOM 0 H LYS A 39 -22.875 -16.357 -25.276 1.00 24.11 H new ATOM 0 HA LYS A 39 -22.737 -18.881 -26.398 1.00 64.25 H new ATOM 0 HB2 LYS A 39 -20.454 -18.734 -25.962 1.00 33.34 H new ATOM 0 HB3 LYS A 39 -20.932 -17.048 -25.934 1.00 33.34 H new ATOM 0 HG2 LYS A 39 -21.058 -17.132 -23.450 1.00 25.15 H new ATOM 0 HG3 LYS A 39 -20.564 -18.813 -23.485 1.00 25.15 H new ATOM 0 HD2 LYS A 39 -18.618 -17.559 -25.045 1.00 31.04 H new ATOM 0 HD3 LYS A 39 -18.943 -16.372 -23.797 1.00 31.04 H new ATOM 0 HE2 LYS A 39 -18.399 -17.911 -22.039 1.00 32.52 H new ATOM 0 HE3 LYS A 39 -18.455 -19.289 -23.119 1.00 32.52 H new ATOM 0 HZ1 LYS A 39 -16.185 -18.653 -22.627 1.00 21.33 H new ATOM 0 HZ2 LYS A 39 -16.506 -18.425 -24.279 1.00 21.33 H new ATOM 0 HZ3 LYS A 39 -16.452 -17.089 -23.232 1.00 21.33 H new ATOM 674 N LEU A 40 -23.228 -18.943 -23.181 1.00 65.14 N ATOM 675 CA LEU A 40 -23.527 -19.810 -22.047 1.00 2.45 C ATOM 676 C LEU A 40 -25.006 -20.181 -22.020 1.00 40.11 C ATOM 677 O LEU A 40 -25.404 -21.144 -21.363 1.00 45.23 O ATOM 678 CB LEU A 40 -23.139 -19.120 -20.737 1.00 63.52 C ATOM 679 CG LEU A 40 -21.749 -19.450 -20.192 1.00 3.23 C ATOM 680 CD1 LEU A 40 -20.682 -18.664 -20.938 1.00 52.14 C ATOM 681 CD2 LEU A 40 -21.679 -19.161 -18.699 1.00 74.31 C ATOM 0 H LEU A 40 -23.388 -17.951 -23.007 1.00 65.14 H new ATOM 0 HA LEU A 40 -22.944 -20.724 -22.156 1.00 2.45 H new ATOM 0 HB2 LEU A 40 -23.203 -18.042 -20.884 1.00 63.52 H new ATOM 0 HB3 LEU A 40 -23.877 -19.383 -19.979 1.00 63.52 H new ATOM 0 HG LEU A 40 -21.563 -20.513 -20.346 1.00 3.23 H new ATOM 0 HD11 LEU A 40 -19.700 -18.912 -20.536 1.00 52.14 H new ATOM 0 HD12 LEU A 40 -20.716 -18.919 -21.997 1.00 52.14 H new ATOM 0 HD13 LEU A 40 -20.865 -17.596 -20.816 1.00 52.14 H new ATOM 0 HD21 LEU A 40 -20.683 -19.402 -18.328 1.00 74.31 H new ATOM 0 HD22 LEU A 40 -21.887 -18.106 -18.523 1.00 74.31 H new ATOM 0 HD23 LEU A 40 -22.417 -19.769 -18.176 1.00 74.31 H new ATOM 693 N HIS A 41 -25.817 -19.412 -22.740 1.00 62.11 N ATOM 694 CA HIS A 41 -27.253 -19.662 -22.802 1.00 25.15 C ATOM 695 C HIS A 41 -27.892 -19.497 -21.426 1.00 70.11 C ATOM 696 O HIS A 41 -28.663 -20.349 -20.982 1.00 5.20 O ATOM 697 CB HIS A 41 -27.524 -21.068 -23.338 1.00 14.20 C ATOM 698 CG HIS A 41 -26.802 -21.372 -24.615 1.00 15.34 C ATOM 699 ND1 HIS A 41 -25.485 -21.559 -24.864 1.00 33.33 N flip ATOM 700 CD2 HIS A 41 -27.444 -21.513 -25.827 1.00 34.43 C flip ATOM 701 CE1 HIS A 41 -25.357 -21.810 -26.208 1.00 15.20 C flip ATOM 702 NE2 HIS A 41 -26.553 -21.777 -26.766 1.00 2.32 N flip ATOM 0 H HIS A 41 -25.504 -18.611 -23.288 1.00 62.11 H new ATOM 0 HA HIS A 41 -27.696 -18.932 -23.479 1.00 25.15 H new ATOM 0 HB2 HIS A 41 -27.233 -21.798 -22.583 1.00 14.20 H new ATOM 0 HB3 HIS A 41 -28.596 -21.186 -23.499 1.00 14.20 H new ATOM 0 HD2 HIS A 41 -28.509 -21.422 -25.984 1.00 34.43 H new ATOM 0 HE1 HIS A 41 -24.429 -22.003 -26.725 1.00 15.20 H new ATOM 0 HE2 HIS A 41 -26.755 -21.929 -27.754 1.00 2.32 H new ATOM 711 N CYS A 42 -27.567 -18.397 -20.756 1.00 1.30 N ATOM 712 CA CYS A 42 -28.108 -18.120 -19.431 1.00 1.02 C ATOM 713 C CYS A 42 -28.523 -16.657 -19.308 1.00 14.25 C ATOM 714 O CYS A 42 -28.241 -15.843 -20.188 1.00 21.42 O ATOM 715 CB CYS A 42 -27.076 -18.461 -18.354 1.00 44.22 C ATOM 716 SG CYS A 42 -25.474 -17.620 -18.567 1.00 64.14 S ATOM 0 H CYS A 42 -26.931 -17.682 -21.109 1.00 1.30 H new ATOM 0 HA CYS A 42 -28.991 -18.743 -19.289 1.00 1.02 H new ATOM 0 HB2 CYS A 42 -27.485 -18.199 -17.378 1.00 44.22 H new ATOM 0 HB3 CYS A 42 -26.911 -19.538 -18.352 1.00 44.22 H new ATOM 721 N CYS A 43 -29.196 -16.329 -18.209 1.00 44.02 N ATOM 722 CA CYS A 43 -29.651 -14.965 -17.969 1.00 43.11 C ATOM 723 C CYS A 43 -29.117 -14.439 -16.640 1.00 30.54 C ATOM 724 O CYS A 43 -28.990 -15.187 -15.671 1.00 11.34 O ATOM 725 CB CYS A 43 -31.180 -14.906 -17.976 1.00 64.55 C ATOM 726 SG CYS A 43 -31.935 -15.412 -19.555 1.00 34.10 S ATOM 0 H CYS A 43 -29.438 -16.990 -17.471 1.00 44.02 H new ATOM 0 HA CYS A 43 -29.266 -14.334 -18.770 1.00 43.11 H new ATOM 0 HB2 CYS A 43 -31.562 -15.547 -17.181 1.00 64.55 H new ATOM 0 HB3 CYS A 43 -31.495 -13.889 -17.744 1.00 64.55 H new ATOM 731 N GLY A 44 -28.806 -13.147 -16.602 1.00 71.21 N ATOM 732 CA GLY A 44 -28.290 -12.543 -15.388 1.00 30.35 C ATOM 733 C GLY A 44 -27.132 -13.324 -14.799 1.00 21.14 C ATOM 734 O GLY A 44 -26.529 -14.157 -15.475 1.00 4.14 O ATOM 0 H GLY A 44 -28.902 -12.508 -17.391 1.00 71.21 H new ATOM 0 HA2 GLY A 44 -27.966 -11.525 -15.602 1.00 30.35 H new ATOM 0 HA3 GLY A 44 -29.090 -12.475 -14.651 1.00 30.35 H new ATOM 738 N ALA A 45 -26.819 -13.054 -13.535 1.00 55.25 N ATOM 739 CA ALA A 45 -25.726 -13.737 -12.856 1.00 32.51 C ATOM 740 C ALA A 45 -26.166 -15.106 -12.347 1.00 73.14 C ATOM 741 O ALA A 45 -25.693 -16.138 -12.825 1.00 13.32 O ATOM 742 CB ALA A 45 -25.206 -12.888 -11.706 1.00 43.52 C ATOM 0 H ALA A 45 -27.308 -12.367 -12.961 1.00 55.25 H new ATOM 0 HA ALA A 45 -24.921 -13.887 -13.576 1.00 32.51 H new ATOM 0 HB1 ALA A 45 -24.390 -13.411 -11.208 1.00 43.52 H new ATOM 0 HB2 ALA A 45 -24.844 -11.935 -12.092 1.00 43.52 H new ATOM 0 HB3 ALA A 45 -26.011 -12.709 -10.993 1.00 43.52 H new ATOM 748 N ASP A 46 -27.073 -15.108 -11.377 1.00 1.25 N ATOM 749 CA ASP A 46 -27.577 -16.350 -10.803 1.00 71.33 C ATOM 750 C ASP A 46 -28.998 -16.632 -11.282 1.00 21.31 C ATOM 751 O ASP A 46 -29.517 -17.734 -11.102 1.00 10.22 O ATOM 752 CB ASP A 46 -27.544 -16.282 -9.276 1.00 32.53 C ATOM 753 CG ASP A 46 -27.376 -17.648 -8.639 1.00 70.11 C ATOM 754 OD1 ASP A 46 -26.602 -18.464 -9.181 1.00 42.25 O ATOM 755 OD2 ASP A 46 -28.019 -17.901 -7.599 1.00 33.42 O ATOM 0 H ASP A 46 -27.475 -14.263 -10.971 1.00 1.25 H new ATOM 0 HA ASP A 46 -26.932 -17.163 -11.136 1.00 71.33 H new ATOM 0 HB2 ASP A 46 -26.725 -15.635 -8.962 1.00 32.53 H new ATOM 0 HB3 ASP A 46 -28.467 -15.827 -8.915 1.00 32.53 H new ATOM 760 N SER A 47 -29.622 -15.629 -11.891 1.00 63.23 N ATOM 761 CA SER A 47 -30.984 -15.768 -12.391 1.00 55.44 C ATOM 762 C SER A 47 -31.377 -14.562 -13.240 1.00 42.10 C ATOM 763 O SER A 47 -30.768 -13.494 -13.167 1.00 23.41 O ATOM 764 CB SER A 47 -31.964 -15.926 -11.227 1.00 20.31 C ATOM 765 OG SER A 47 -31.474 -15.292 -10.058 1.00 62.41 O ATOM 0 H SER A 47 -29.206 -14.711 -12.050 1.00 63.23 H new ATOM 0 HA SER A 47 -31.025 -16.660 -13.016 1.00 55.44 H new ATOM 0 HB2 SER A 47 -32.929 -15.498 -11.499 1.00 20.31 H new ATOM 0 HB3 SER A 47 -32.130 -16.985 -11.028 1.00 20.31 H new ATOM 0 HG SER A 47 -32.119 -15.406 -9.329 1.00 62.41 H new ATOM 771 N PRO A 48 -32.419 -14.735 -14.066 1.00 14.11 N ATOM 772 CA PRO A 48 -32.918 -13.673 -14.945 1.00 1.34 C ATOM 773 C PRO A 48 -33.594 -12.548 -14.168 1.00 42.34 C ATOM 774 O PRO A 48 -33.650 -11.408 -14.630 1.00 12.53 O ATOM 775 CB PRO A 48 -33.934 -14.395 -15.833 1.00 0.01 C ATOM 776 CG PRO A 48 -34.383 -15.562 -15.023 1.00 65.44 C ATOM 777 CD PRO A 48 -33.192 -15.981 -14.205 1.00 14.51 C ATOM 0 HA PRO A 48 -32.113 -13.192 -15.500 1.00 1.34 H new ATOM 0 HB2 PRO A 48 -34.771 -13.744 -16.087 1.00 0.01 H new ATOM 0 HB3 PRO A 48 -33.482 -14.715 -16.772 1.00 0.01 H new ATOM 0 HG2 PRO A 48 -35.222 -15.292 -14.381 1.00 65.44 H new ATOM 0 HG3 PRO A 48 -34.721 -16.375 -15.665 1.00 65.44 H new ATOM 0 HD2 PRO A 48 -33.490 -16.379 -13.235 1.00 14.51 H new ATOM 0 HD3 PRO A 48 -32.615 -16.759 -14.705 1.00 14.51 H new ATOM 785 N LYS A 49 -34.106 -12.875 -12.987 1.00 4.24 N ATOM 786 CA LYS A 49 -34.777 -11.892 -12.144 1.00 44.13 C ATOM 787 C LYS A 49 -33.805 -10.805 -11.696 1.00 65.23 C ATOM 788 O LYS A 49 -34.218 -9.730 -11.262 1.00 20.14 O ATOM 789 CB LYS A 49 -35.394 -12.574 -10.922 1.00 31.34 C ATOM 790 CG LYS A 49 -34.366 -13.140 -9.957 1.00 12.21 C ATOM 791 CD LYS A 49 -34.001 -12.134 -8.878 1.00 14.00 C ATOM 792 CE LYS A 49 -33.487 -12.824 -7.624 1.00 5.20 C ATOM 793 NZ LYS A 49 -34.583 -13.108 -6.657 1.00 71.14 N ATOM 0 H LYS A 49 -34.069 -13.814 -12.591 1.00 4.24 H new ATOM 0 HA LYS A 49 -35.569 -11.427 -12.731 1.00 44.13 H new ATOM 0 HB2 LYS A 49 -36.020 -11.855 -10.393 1.00 31.34 H new ATOM 0 HB3 LYS A 49 -36.047 -13.380 -11.257 1.00 31.34 H new ATOM 0 HG2 LYS A 49 -34.760 -14.045 -9.494 1.00 12.21 H new ATOM 0 HG3 LYS A 49 -33.469 -13.427 -10.506 1.00 12.21 H new ATOM 0 HD2 LYS A 49 -33.240 -11.452 -9.257 1.00 14.00 H new ATOM 0 HD3 LYS A 49 -34.875 -11.531 -8.631 1.00 14.00 H new ATOM 0 HE2 LYS A 49 -32.995 -13.757 -7.899 1.00 5.20 H new ATOM 0 HE3 LYS A 49 -32.735 -12.196 -7.146 1.00 5.20 H new ATOM 0 HZ1 LYS A 49 -34.191 -13.578 -5.816 1.00 71.14 H new ATOM 0 HZ2 LYS A 49 -35.037 -12.216 -6.375 1.00 71.14 H new ATOM 0 HZ3 LYS A 49 -35.288 -13.728 -7.104 1.00 71.14 H new ATOM 807 N ASP A 50 -32.512 -11.092 -11.806 1.00 51.14 N ATOM 808 CA ASP A 50 -31.481 -10.138 -11.415 1.00 11.30 C ATOM 809 C ASP A 50 -31.662 -8.812 -12.147 1.00 44.24 C ATOM 810 O ASP A 50 -31.231 -7.763 -11.668 1.00 40.40 O ATOM 811 CB ASP A 50 -30.092 -10.709 -11.703 1.00 42.30 C ATOM 812 CG ASP A 50 -29.757 -11.892 -10.817 1.00 31.33 C ATOM 813 OD1 ASP A 50 -30.188 -11.896 -9.645 1.00 5.33 O ATOM 814 OD2 ASP A 50 -29.064 -12.815 -11.295 1.00 0.11 O ATOM 0 H ASP A 50 -32.153 -11.978 -12.163 1.00 51.14 H new ATOM 0 HA ASP A 50 -31.575 -9.957 -10.344 1.00 11.30 H new ATOM 0 HB2 ASP A 50 -30.038 -11.015 -12.748 1.00 42.30 H new ATOM 0 HB3 ASP A 50 -29.345 -9.928 -11.560 1.00 42.30 H new ATOM 819 N TYR A 51 -32.300 -8.867 -13.311 1.00 45.12 N ATOM 820 CA TYR A 51 -32.534 -7.671 -14.112 1.00 2.13 C ATOM 821 C TYR A 51 -33.898 -7.064 -13.798 1.00 3.32 C ATOM 822 O TYR A 51 -34.138 -5.884 -14.052 1.00 75.42 O ATOM 823 CB TYR A 51 -32.442 -8.003 -15.602 1.00 21.20 C ATOM 824 CG TYR A 51 -31.031 -8.270 -16.077 1.00 54.10 C ATOM 825 CD1 TYR A 51 -30.036 -7.311 -15.934 1.00 54.40 C ATOM 826 CD2 TYR A 51 -30.694 -9.480 -16.670 1.00 21.44 C ATOM 827 CE1 TYR A 51 -28.746 -7.549 -16.367 1.00 74.41 C ATOM 828 CE2 TYR A 51 -29.406 -9.728 -17.104 1.00 74.43 C ATOM 829 CZ TYR A 51 -28.436 -8.760 -16.951 1.00 53.11 C ATOM 830 OH TYR A 51 -27.153 -9.003 -17.384 1.00 41.41 O ATOM 0 H TYR A 51 -32.664 -9.727 -13.721 1.00 45.12 H new ATOM 0 HA TYR A 51 -31.765 -6.941 -13.862 1.00 2.13 H new ATOM 0 HB2 TYR A 51 -33.058 -8.878 -15.809 1.00 21.20 H new ATOM 0 HB3 TYR A 51 -32.859 -7.176 -16.176 1.00 21.20 H new ATOM 0 HD1 TYR A 51 -30.275 -6.363 -15.476 1.00 54.40 H new ATOM 0 HD2 TYR A 51 -31.452 -10.240 -16.794 1.00 21.44 H new ATOM 0 HE1 TYR A 51 -27.985 -6.792 -16.249 1.00 74.41 H new ATOM 0 HE2 TYR A 51 -29.160 -10.675 -17.561 1.00 74.43 H new ATOM 0 HH TYR A 51 -26.783 -8.188 -17.783 1.00 41.41 H new ATOM 840 N GLY A 52 -34.788 -7.880 -13.242 1.00 21.03 N ATOM 841 CA GLY A 52 -36.117 -7.407 -12.901 1.00 1.11 C ATOM 842 C GLY A 52 -37.204 -8.124 -13.676 1.00 32.30 C ATOM 843 O GLY A 52 -37.676 -9.182 -13.260 1.00 54.30 O ATOM 0 H GLY A 52 -34.612 -8.860 -13.022 1.00 21.03 H new ATOM 0 HA2 GLY A 52 -36.285 -7.545 -11.833 1.00 1.11 H new ATOM 0 HA3 GLY A 52 -36.180 -6.337 -13.098 1.00 1.11 H new ATOM 847 N GLU A 53 -37.603 -7.547 -14.805 1.00 71.11 N ATOM 848 CA GLU A 53 -38.644 -8.138 -15.638 1.00 61.11 C ATOM 849 C GLU A 53 -38.404 -7.825 -17.112 1.00 54.42 C ATOM 850 O GLU A 53 -39.322 -7.893 -17.929 1.00 64.41 O ATOM 851 CB GLU A 53 -40.021 -7.624 -15.213 1.00 71.33 C ATOM 852 CG GLU A 53 -40.282 -6.182 -15.612 1.00 53.34 C ATOM 853 CD GLU A 53 -41.157 -5.449 -14.614 1.00 35.41 C ATOM 854 OE1 GLU A 53 -40.615 -4.932 -13.615 1.00 65.34 O ATOM 855 OE2 GLU A 53 -42.386 -5.394 -14.832 1.00 10.43 O ATOM 0 H GLU A 53 -37.222 -6.672 -15.164 1.00 71.11 H new ATOM 0 HA GLU A 53 -38.611 -9.219 -15.504 1.00 61.11 H new ATOM 0 HB2 GLU A 53 -40.789 -8.259 -15.655 1.00 71.33 H new ATOM 0 HB3 GLU A 53 -40.116 -7.716 -14.131 1.00 71.33 H new ATOM 0 HG2 GLU A 53 -39.331 -5.658 -15.709 1.00 53.34 H new ATOM 0 HG3 GLU A 53 -40.759 -6.161 -16.592 1.00 53.34 H new ATOM 862 N ASN A 54 -37.164 -7.479 -17.444 1.00 35.42 N ATOM 863 CA ASN A 54 -36.804 -7.154 -18.819 1.00 4.21 C ATOM 864 C ASN A 54 -35.302 -7.309 -19.039 1.00 21.45 C ATOM 865 O ASN A 54 -34.557 -6.333 -19.125 1.00 15.52 O ATOM 866 CB ASN A 54 -37.234 -5.725 -19.157 1.00 35.14 C ATOM 867 CG ASN A 54 -38.719 -5.623 -19.449 1.00 41.25 C ATOM 868 OD1 ASN A 54 -39.490 -5.196 -18.456 1.00 63.42 O flip ATOM 869 ND2 ASN A 54 -39.167 -5.923 -20.556 1.00 22.41 N flip ATOM 0 H ASN A 54 -36.392 -7.417 -16.780 1.00 35.42 H new ATOM 0 HA ASN A 54 -37.324 -7.849 -19.478 1.00 4.21 H new ATOM 0 HB2 ASN A 54 -36.984 -5.067 -18.325 1.00 35.14 H new ATOM 0 HB3 ASN A 54 -36.671 -5.374 -20.022 1.00 35.14 H new ATOM 0 HD21 ASN A 54 -38.537 -6.247 -21.290 1.00 22.41 H new ATOM 0 HD22 ASN A 54 -40.168 -5.848 -20.739 1.00 22.41 H new ATOM 876 N PRO A 55 -34.845 -8.567 -19.132 1.00 43.10 N ATOM 877 CA PRO A 55 -33.429 -8.881 -19.344 1.00 45.41 C ATOM 878 C PRO A 55 -32.953 -8.500 -20.742 1.00 55.11 C ATOM 879 O PRO A 55 -33.748 -8.202 -21.634 1.00 40.12 O ATOM 880 CB PRO A 55 -33.369 -10.398 -19.154 1.00 31.30 C ATOM 881 CG PRO A 55 -34.743 -10.875 -19.477 1.00 52.34 C ATOM 882 CD PRO A 55 -35.675 -9.779 -19.038 1.00 72.34 C ATOM 0 HA PRO A 55 -32.783 -8.327 -18.663 1.00 45.41 H new ATOM 0 HB2 PRO A 55 -32.628 -10.850 -19.813 1.00 31.30 H new ATOM 0 HB3 PRO A 55 -33.089 -10.658 -18.133 1.00 31.30 H new ATOM 0 HG2 PRO A 55 -34.847 -11.072 -20.544 1.00 52.34 H new ATOM 0 HG3 PRO A 55 -34.965 -11.807 -18.958 1.00 52.34 H new ATOM 0 HD2 PRO A 55 -36.552 -9.716 -19.682 1.00 72.34 H new ATOM 0 HD3 PRO A 55 -36.036 -9.941 -18.022 1.00 72.34 H new ATOM 890 N PRO A 56 -31.627 -8.509 -20.940 1.00 61.53 N ATOM 891 CA PRO A 56 -31.016 -8.168 -22.229 1.00 35.43 C ATOM 892 C PRO A 56 -31.282 -9.227 -23.294 1.00 50.51 C ATOM 893 O PRO A 56 -31.615 -10.370 -22.980 1.00 0.21 O ATOM 894 CB PRO A 56 -29.522 -8.098 -21.906 1.00 21.25 C ATOM 895 CG PRO A 56 -29.350 -8.978 -20.716 1.00 22.31 C ATOM 896 CD PRO A 56 -30.621 -8.855 -19.922 1.00 2.41 C ATOM 0 HA PRO A 56 -31.421 -7.243 -22.640 1.00 35.43 H new ATOM 0 HB2 PRO A 56 -28.919 -8.445 -22.745 1.00 21.25 H new ATOM 0 HB3 PRO A 56 -29.211 -7.076 -21.691 1.00 21.25 H new ATOM 0 HG2 PRO A 56 -29.176 -10.011 -21.017 1.00 22.31 H new ATOM 0 HG3 PRO A 56 -28.489 -8.669 -20.124 1.00 22.31 H new ATOM 0 HD2 PRO A 56 -30.868 -9.786 -19.413 1.00 2.41 H new ATOM 0 HD3 PRO A 56 -30.543 -8.084 -19.156 1.00 2.41 H new ATOM 904 N THR A 57 -31.132 -8.839 -24.557 1.00 13.10 N ATOM 905 CA THR A 57 -31.357 -9.754 -25.669 1.00 45.20 C ATOM 906 C THR A 57 -30.507 -11.011 -25.526 1.00 62.33 C ATOM 907 O THR A 57 -30.858 -12.071 -26.044 1.00 62.35 O ATOM 908 CB THR A 57 -31.040 -9.085 -27.020 1.00 0.42 C ATOM 909 OG1 THR A 57 -31.325 -9.989 -28.093 1.00 43.41 O ATOM 910 CG2 THR A 57 -29.581 -8.657 -27.083 1.00 74.33 C ATOM 0 H THR A 57 -30.856 -7.897 -24.835 1.00 13.10 H new ATOM 0 HA THR A 57 -32.412 -10.027 -25.646 1.00 45.20 H new ATOM 0 HB THR A 57 -31.666 -8.198 -27.117 1.00 0.42 H new ATOM 0 HG1 THR A 57 -31.122 -9.556 -28.948 1.00 43.41 H new ATOM 0 HG21 THR A 57 -29.381 -8.187 -28.046 1.00 74.33 H new ATOM 0 HG22 THR A 57 -29.376 -7.946 -26.283 1.00 74.33 H new ATOM 0 HG23 THR A 57 -28.940 -9.531 -26.965 1.00 74.33 H new ATOM 918 N SER A 58 -29.388 -10.887 -24.820 1.00 43.30 N ATOM 919 CA SER A 58 -28.486 -12.013 -24.612 1.00 22.52 C ATOM 920 C SER A 58 -29.165 -13.109 -23.796 1.00 22.31 C ATOM 921 O SER A 58 -28.699 -14.248 -23.755 1.00 22.41 O ATOM 922 CB SER A 58 -27.211 -11.550 -23.903 1.00 55.14 C ATOM 923 OG SER A 58 -27.500 -10.562 -22.929 1.00 51.03 O ATOM 0 H SER A 58 -29.084 -10.017 -24.382 1.00 43.30 H new ATOM 0 HA SER A 58 -28.223 -12.420 -25.588 1.00 22.52 H new ATOM 0 HB2 SER A 58 -26.725 -12.402 -23.428 1.00 55.14 H new ATOM 0 HB3 SER A 58 -26.509 -11.150 -24.635 1.00 55.14 H new ATOM 0 HG SER A 58 -27.180 -9.690 -23.242 1.00 51.03 H new ATOM 929 N CYS A 59 -30.269 -12.757 -23.147 1.00 14.51 N ATOM 930 CA CYS A 59 -31.014 -13.708 -22.331 1.00 13.41 C ATOM 931 C CYS A 59 -31.856 -14.633 -23.205 1.00 41.45 C ATOM 932 O CYS A 59 -32.194 -15.746 -22.804 1.00 13.24 O ATOM 933 CB CYS A 59 -31.914 -12.966 -21.340 1.00 30.50 C ATOM 934 SG CYS A 59 -33.065 -14.046 -20.430 1.00 53.10 S ATOM 0 H CYS A 59 -30.668 -11.819 -23.170 1.00 14.51 H new ATOM 0 HA CYS A 59 -30.297 -14.314 -21.778 1.00 13.41 H new ATOM 0 HB2 CYS A 59 -31.287 -12.435 -20.624 1.00 30.50 H new ATOM 0 HB3 CYS A 59 -32.489 -12.214 -21.880 1.00 30.50 H new ATOM 939 N SER A 60 -32.190 -14.163 -24.403 1.00 61.33 N ATOM 940 CA SER A 60 -32.995 -14.946 -25.334 1.00 23.11 C ATOM 941 C SER A 60 -32.247 -15.168 -26.645 1.00 70.01 C ATOM 942 O SER A 60 -31.290 -14.458 -26.956 1.00 75.03 O ATOM 943 CB SER A 60 -34.326 -14.243 -25.606 1.00 33.55 C ATOM 944 OG SER A 60 -34.149 -12.842 -25.721 1.00 73.32 O ATOM 0 H SER A 60 -31.916 -13.244 -24.752 1.00 61.33 H new ATOM 0 HA SER A 60 -33.191 -15.917 -24.879 1.00 23.11 H new ATOM 0 HB2 SER A 60 -34.766 -14.634 -26.524 1.00 33.55 H new ATOM 0 HB3 SER A 60 -35.026 -14.459 -24.799 1.00 33.55 H new ATOM 0 HG SER A 60 -35.014 -12.416 -25.896 1.00 73.32 H new ATOM 950 N LYS A 61 -32.690 -16.159 -27.411 1.00 72.20 N ATOM 951 CA LYS A 61 -32.066 -16.476 -28.690 1.00 21.41 C ATOM 952 C LYS A 61 -33.004 -17.305 -29.563 1.00 3.54 C ATOM 953 O LYS A 61 -33.585 -18.289 -29.105 1.00 40.23 O ATOM 954 CB LYS A 61 -30.756 -17.236 -28.467 1.00 51.30 C ATOM 955 CG LYS A 61 -29.735 -17.024 -29.571 1.00 60.34 C ATOM 956 CD LYS A 61 -29.046 -18.325 -29.950 1.00 2.40 C ATOM 957 CE LYS A 61 -29.783 -19.040 -31.072 1.00 3.11 C ATOM 958 NZ LYS A 61 -28.991 -20.176 -31.620 1.00 3.31 N ATOM 0 H LYS A 61 -33.480 -16.757 -27.168 1.00 72.20 H new ATOM 0 HA LYS A 61 -31.853 -15.539 -29.204 1.00 21.41 H new ATOM 0 HB2 LYS A 61 -30.322 -16.924 -27.517 1.00 51.30 H new ATOM 0 HB3 LYS A 61 -30.973 -18.301 -28.384 1.00 51.30 H new ATOM 0 HG2 LYS A 61 -30.228 -16.603 -30.448 1.00 60.34 H new ATOM 0 HG3 LYS A 61 -28.990 -16.298 -29.245 1.00 60.34 H new ATOM 0 HD2 LYS A 61 -28.022 -18.118 -30.260 1.00 2.40 H new ATOM 0 HD3 LYS A 61 -28.990 -18.976 -29.077 1.00 2.40 H new ATOM 0 HE2 LYS A 61 -30.739 -19.409 -30.701 1.00 3.11 H new ATOM 0 HE3 LYS A 61 -30.003 -18.332 -31.871 1.00 3.11 H new ATOM 0 HZ1 LYS A 61 -29.527 -20.637 -32.382 1.00 3.31 H new ATOM 0 HZ2 LYS A 61 -28.089 -19.821 -31.997 1.00 3.31 H new ATOM 0 HZ3 LYS A 61 -28.802 -20.864 -30.864 1.00 3.31 H new ATOM 972 N ASP A 62 -33.145 -16.901 -30.820 1.00 41.52 N ATOM 973 CA ASP A 62 -34.010 -17.607 -31.758 1.00 32.14 C ATOM 974 C ASP A 62 -35.451 -17.627 -31.258 1.00 54.51 C ATOM 975 O ASP A 62 -36.219 -18.532 -31.581 1.00 50.14 O ATOM 976 CB ASP A 62 -33.511 -19.037 -31.967 1.00 65.41 C ATOM 977 CG ASP A 62 -32.447 -19.127 -33.044 1.00 20.32 C ATOM 978 OD1 ASP A 62 -32.169 -18.096 -33.691 1.00 42.10 O ATOM 979 OD2 ASP A 62 -31.892 -20.229 -33.239 1.00 12.34 O ATOM 0 H ASP A 62 -32.671 -16.088 -31.214 1.00 41.52 H new ATOM 0 HA ASP A 62 -33.981 -17.077 -32.710 1.00 32.14 H new ATOM 0 HB2 ASP A 62 -33.108 -19.419 -31.029 1.00 65.41 H new ATOM 0 HB3 ASP A 62 -34.352 -19.676 -32.236 1.00 65.41 H new ATOM 984 N GLY A 63 -35.812 -16.621 -30.466 1.00 41.24 N ATOM 985 CA GLY A 63 -37.160 -16.542 -29.934 1.00 25.32 C ATOM 986 C GLY A 63 -37.367 -17.458 -28.744 1.00 71.20 C ATOM 987 O GLY A 63 -38.489 -17.882 -28.466 1.00 22.41 O ATOM 0 H GLY A 63 -35.195 -15.860 -30.184 1.00 41.24 H new ATOM 0 HA2 GLY A 63 -37.371 -15.514 -29.639 1.00 25.32 H new ATOM 0 HA3 GLY A 63 -37.872 -16.802 -30.717 1.00 25.32 H new ATOM 991 N VAL A 64 -36.282 -17.766 -28.040 1.00 35.02 N ATOM 992 CA VAL A 64 -36.350 -18.638 -26.873 1.00 73.35 C ATOM 993 C VAL A 64 -35.758 -17.959 -25.644 1.00 11.11 C ATOM 994 O VAL A 64 -34.921 -17.064 -25.760 1.00 71.34 O ATOM 995 CB VAL A 64 -35.608 -19.965 -27.121 1.00 30.01 C ATOM 996 CG1 VAL A 64 -34.141 -19.835 -26.743 1.00 5.44 C ATOM 997 CG2 VAL A 64 -36.268 -21.097 -26.347 1.00 40.44 C ATOM 0 H VAL A 64 -35.346 -17.425 -28.257 1.00 35.02 H new ATOM 0 HA VAL A 64 -37.405 -18.847 -26.695 1.00 73.35 H new ATOM 0 HB VAL A 64 -35.665 -20.200 -28.184 1.00 30.01 H new ATOM 0 HG11 VAL A 64 -33.633 -20.782 -26.925 1.00 5.44 H new ATOM 0 HG12 VAL A 64 -33.678 -19.053 -27.345 1.00 5.44 H new ATOM 0 HG13 VAL A 64 -34.059 -19.576 -25.687 1.00 5.44 H new ATOM 0 HG21 VAL A 64 -35.731 -22.027 -26.534 1.00 40.44 H new ATOM 0 HG22 VAL A 64 -36.243 -20.872 -25.281 1.00 40.44 H new ATOM 0 HG23 VAL A 64 -37.303 -21.204 -26.671 1.00 40.44 H new ATOM 1007 N GLN A 65 -36.198 -18.391 -24.466 1.00 53.44 N ATOM 1008 CA GLN A 65 -35.711 -17.823 -23.215 1.00 33.34 C ATOM 1009 C GLN A 65 -34.846 -18.829 -22.461 1.00 53.54 C ATOM 1010 O GLN A 65 -35.181 -20.010 -22.376 1.00 73.21 O ATOM 1011 CB GLN A 65 -36.886 -17.385 -22.338 1.00 23.12 C ATOM 1012 CG GLN A 65 -36.526 -16.300 -21.337 1.00 5.55 C ATOM 1013 CD GLN A 65 -36.589 -16.785 -19.902 1.00 11.43 C ATOM 1014 OE1 GLN A 65 -37.404 -17.642 -19.560 1.00 24.53 O ATOM 1015 NE2 GLN A 65 -35.727 -16.237 -19.053 1.00 14.04 N ATOM 0 H GLN A 65 -36.890 -19.132 -24.352 1.00 53.44 H new ATOM 0 HA GLN A 65 -35.100 -16.952 -23.454 1.00 33.34 H new ATOM 0 HB2 GLN A 65 -37.692 -17.025 -22.978 1.00 23.12 H new ATOM 0 HB3 GLN A 65 -37.270 -18.252 -21.800 1.00 23.12 H new ATOM 0 HG2 GLN A 65 -35.521 -15.934 -21.549 1.00 5.55 H new ATOM 0 HG3 GLN A 65 -37.205 -15.456 -21.461 1.00 5.55 H new ATOM 0 HE21 GLN A 65 -35.069 -15.530 -19.380 1.00 14.04 H new ATOM 0 HE22 GLN A 65 -35.723 -16.523 -18.074 1.00 14.04 H new ATOM 1024 N PHE A 66 -33.732 -18.352 -21.917 1.00 1.33 N ATOM 1025 CA PHE A 66 -32.818 -19.209 -21.172 1.00 24.15 C ATOM 1026 C PHE A 66 -33.182 -19.235 -19.690 1.00 3.31 C ATOM 1027 O PHE A 66 -32.924 -18.278 -18.958 1.00 62.31 O ATOM 1028 CB PHE A 66 -31.376 -18.727 -21.346 1.00 11.32 C ATOM 1029 CG PHE A 66 -30.901 -18.760 -22.770 1.00 62.12 C ATOM 1030 CD1 PHE A 66 -31.211 -19.831 -23.593 1.00 4.01 C ATOM 1031 CD2 PHE A 66 -30.144 -17.721 -23.286 1.00 42.33 C ATOM 1032 CE1 PHE A 66 -30.775 -19.865 -24.904 1.00 52.33 C ATOM 1033 CE2 PHE A 66 -29.706 -17.749 -24.597 1.00 1.41 C ATOM 1034 CZ PHE A 66 -30.021 -18.822 -25.407 1.00 21.55 C ATOM 0 H PHE A 66 -33.440 -17.377 -21.978 1.00 1.33 H new ATOM 0 HA PHE A 66 -32.906 -20.221 -21.567 1.00 24.15 H new ATOM 0 HB2 PHE A 66 -31.294 -17.708 -20.967 1.00 11.32 H new ATOM 0 HB3 PHE A 66 -30.718 -19.347 -20.737 1.00 11.32 H new ATOM 0 HD1 PHE A 66 -31.800 -20.649 -23.205 1.00 4.01 H new ATOM 0 HD2 PHE A 66 -29.893 -16.880 -22.657 1.00 42.33 H new ATOM 0 HE1 PHE A 66 -31.023 -20.706 -25.535 1.00 52.33 H new ATOM 0 HE2 PHE A 66 -29.118 -16.932 -24.987 1.00 1.41 H new ATOM 0 HZ PHE A 66 -29.679 -18.846 -26.431 1.00 21.55 H new ATOM 1044 N THR A 67 -33.784 -20.337 -19.254 1.00 12.45 N ATOM 1045 CA THR A 67 -34.186 -20.488 -17.861 1.00 1.53 C ATOM 1046 C THR A 67 -33.077 -21.129 -17.035 1.00 62.20 C ATOM 1047 O THR A 67 -33.325 -22.044 -16.251 1.00 13.05 O ATOM 1048 CB THR A 67 -35.463 -21.339 -17.734 1.00 32.04 C ATOM 1049 OG1 THR A 67 -35.318 -22.554 -18.478 1.00 12.23 O ATOM 1050 CG2 THR A 67 -36.677 -20.572 -18.236 1.00 70.23 C ATOM 0 H THR A 67 -34.004 -21.138 -19.846 1.00 12.45 H new ATOM 0 HA THR A 67 -34.386 -19.487 -17.480 1.00 1.53 H new ATOM 0 HB THR A 67 -35.613 -21.575 -16.680 1.00 32.04 H new ATOM 0 HG1 THR A 67 -36.134 -23.090 -18.391 1.00 12.23 H new ATOM 0 HG21 THR A 67 -37.567 -21.194 -18.136 1.00 70.23 H new ATOM 0 HG22 THR A 67 -36.802 -19.663 -17.648 1.00 70.23 H new ATOM 0 HG23 THR A 67 -36.534 -20.309 -19.284 1.00 70.23 H new ATOM 1058 N GLU A 68 -31.853 -20.643 -17.217 1.00 1.12 N ATOM 1059 CA GLU A 68 -30.706 -21.171 -16.487 1.00 41.54 C ATOM 1060 C GLU A 68 -29.754 -20.048 -16.085 1.00 43.00 C ATOM 1061 O GLU A 68 -29.491 -19.133 -16.864 1.00 53.31 O ATOM 1062 CB GLU A 68 -29.964 -22.203 -17.338 1.00 64.40 C ATOM 1063 CG GLU A 68 -30.783 -23.447 -17.638 1.00 55.02 C ATOM 1064 CD GLU A 68 -29.993 -24.499 -18.391 1.00 24.43 C ATOM 1065 OE1 GLU A 68 -28.780 -24.634 -18.123 1.00 12.13 O ATOM 1066 OE2 GLU A 68 -30.585 -25.188 -19.247 1.00 73.12 O ATOM 0 H GLU A 68 -31.630 -19.886 -17.863 1.00 1.12 H new ATOM 0 HA GLU A 68 -31.074 -21.654 -15.582 1.00 41.54 H new ATOM 0 HB2 GLU A 68 -29.666 -21.739 -18.278 1.00 64.40 H new ATOM 0 HB3 GLU A 68 -29.049 -22.496 -16.823 1.00 64.40 H new ATOM 0 HG2 GLU A 68 -31.147 -23.872 -16.703 1.00 55.02 H new ATOM 0 HG3 GLU A 68 -31.659 -23.168 -18.223 1.00 55.02 H new ATOM 1073 N GLY A 69 -29.240 -20.126 -14.861 1.00 45.03 N ATOM 1074 CA GLY A 69 -28.323 -19.111 -14.376 1.00 11.04 C ATOM 1075 C GLY A 69 -26.951 -19.216 -15.012 1.00 54.12 C ATOM 1076 O GLY A 69 -26.673 -20.160 -15.752 1.00 43.23 O ATOM 0 H GLY A 69 -29.442 -20.874 -14.197 1.00 45.03 H new ATOM 0 HA2 GLY A 69 -28.739 -18.124 -14.578 1.00 11.04 H new ATOM 0 HA3 GLY A 69 -28.226 -19.201 -13.294 1.00 11.04 H new ATOM 1080 N CYS A 70 -26.092 -18.244 -14.726 1.00 10.31 N ATOM 1081 CA CYS A 70 -24.742 -18.229 -15.277 1.00 14.51 C ATOM 1082 C CYS A 70 -23.740 -18.796 -14.276 1.00 61.21 C ATOM 1083 O CYS A 70 -22.835 -19.545 -14.646 1.00 21.03 O ATOM 1084 CB CYS A 70 -24.343 -16.803 -15.663 1.00 64.11 C ATOM 1085 SG CYS A 70 -25.059 -16.231 -17.237 1.00 45.15 S ATOM 0 H CYS A 70 -26.307 -17.456 -14.115 1.00 10.31 H new ATOM 0 HA CYS A 70 -24.733 -18.856 -16.168 1.00 14.51 H new ATOM 0 HB2 CYS A 70 -24.650 -16.123 -14.868 1.00 64.11 H new ATOM 0 HB3 CYS A 70 -23.256 -16.746 -15.729 1.00 64.11 H new ATOM 1090 N ILE A 71 -23.908 -18.435 -13.009 1.00 14.33 N ATOM 1091 CA ILE A 71 -23.020 -18.909 -11.955 1.00 42.21 C ATOM 1092 C ILE A 71 -23.005 -20.432 -11.893 1.00 24.40 C ATOM 1093 O ILE A 71 -21.975 -21.043 -11.605 1.00 30.11 O ATOM 1094 CB ILE A 71 -23.432 -18.354 -10.579 1.00 33.22 C ATOM 1095 CG1 ILE A 71 -23.418 -16.824 -10.596 1.00 73.30 C ATOM 1096 CG2 ILE A 71 -22.507 -18.886 -9.495 1.00 2.35 C ATOM 1097 CD1 ILE A 71 -24.230 -16.200 -9.483 1.00 20.03 C ATOM 0 H ILE A 71 -24.651 -17.815 -12.687 1.00 14.33 H new ATOM 0 HA ILE A 71 -22.021 -18.548 -12.198 1.00 42.21 H new ATOM 0 HB ILE A 71 -24.447 -18.686 -10.359 1.00 33.22 H new ATOM 0 HG12 ILE A 71 -22.387 -16.477 -10.521 1.00 73.30 H new ATOM 0 HG13 ILE A 71 -23.803 -16.476 -11.555 1.00 73.30 H new ATOM 0 HG21 ILE A 71 -22.811 -18.485 -8.528 1.00 2.35 H new ATOM 0 HG22 ILE A 71 -22.564 -19.974 -9.470 1.00 2.35 H new ATOM 0 HG23 ILE A 71 -21.483 -18.581 -9.709 1.00 2.35 H new ATOM 0 HD11 ILE A 71 -24.175 -15.114 -9.557 1.00 20.03 H new ATOM 0 HD12 ILE A 71 -25.269 -16.517 -9.569 1.00 20.03 H new ATOM 0 HD13 ILE A 71 -23.832 -16.519 -8.520 1.00 20.03 H new ATOM 1109 N LYS A 72 -24.153 -21.042 -12.167 1.00 11.41 N ATOM 1110 CA LYS A 72 -24.273 -22.495 -12.146 1.00 11.42 C ATOM 1111 C LYS A 72 -23.729 -23.104 -13.434 1.00 30.22 C ATOM 1112 O LYS A 72 -23.136 -24.183 -13.420 1.00 42.03 O ATOM 1113 CB LYS A 72 -25.735 -22.903 -11.953 1.00 73.45 C ATOM 1114 CG LYS A 72 -26.360 -22.350 -10.684 1.00 65.40 C ATOM 1115 CD LYS A 72 -27.025 -21.007 -10.930 1.00 10.44 C ATOM 1116 CE LYS A 72 -28.180 -20.773 -9.968 1.00 53.12 C ATOM 1117 NZ LYS A 72 -29.355 -21.628 -10.295 1.00 31.05 N ATOM 0 H LYS A 72 -25.015 -20.552 -12.407 1.00 11.41 H new ATOM 0 HA LYS A 72 -23.684 -22.872 -11.310 1.00 11.42 H new ATOM 0 HB2 LYS A 72 -26.314 -22.563 -12.811 1.00 73.45 H new ATOM 0 HB3 LYS A 72 -25.800 -23.991 -11.936 1.00 73.45 H new ATOM 0 HG2 LYS A 72 -27.096 -23.057 -10.302 1.00 65.40 H new ATOM 0 HG3 LYS A 72 -25.593 -22.242 -9.917 1.00 65.40 H new ATOM 0 HD2 LYS A 72 -26.290 -20.210 -10.819 1.00 10.44 H new ATOM 0 HD3 LYS A 72 -27.390 -20.963 -11.956 1.00 10.44 H new ATOM 0 HE2 LYS A 72 -27.852 -20.980 -8.949 1.00 53.12 H new ATOM 0 HE3 LYS A 72 -28.474 -19.724 -10.001 1.00 53.12 H new ATOM 0 HZ1 LYS A 72 -30.201 -21.251 -9.822 1.00 31.05 H new ATOM 0 HZ2 LYS A 72 -29.506 -21.632 -11.324 1.00 31.05 H new ATOM 0 HZ3 LYS A 72 -29.179 -22.599 -9.967 1.00 31.05 H new ATOM 1131 N LYS A 73 -23.933 -22.406 -14.546 1.00 34.22 N ATOM 1132 CA LYS A 73 -23.461 -22.877 -15.843 1.00 13.53 C ATOM 1133 C LYS A 73 -21.937 -22.873 -15.901 1.00 30.54 C ATOM 1134 O LYS A 73 -21.322 -23.828 -16.375 1.00 61.44 O ATOM 1135 CB LYS A 73 -24.026 -22.000 -16.963 1.00 35.13 C ATOM 1136 CG LYS A 73 -25.393 -22.446 -17.453 1.00 60.32 C ATOM 1137 CD LYS A 73 -25.278 -23.496 -18.545 1.00 61.44 C ATOM 1138 CE LYS A 73 -25.204 -24.900 -17.964 1.00 4.23 C ATOM 1139 NZ LYS A 73 -25.559 -25.937 -18.971 1.00 31.30 N ATOM 0 H LYS A 73 -24.422 -21.512 -14.575 1.00 34.22 H new ATOM 0 HA LYS A 73 -23.810 -23.901 -15.979 1.00 13.53 H new ATOM 0 HB2 LYS A 73 -24.094 -20.971 -16.609 1.00 35.13 H new ATOM 0 HB3 LYS A 73 -23.330 -22.003 -17.802 1.00 35.13 H new ATOM 0 HG2 LYS A 73 -25.966 -22.849 -16.618 1.00 60.32 H new ATOM 0 HG3 LYS A 73 -25.944 -21.585 -17.831 1.00 60.32 H new ATOM 0 HD2 LYS A 73 -26.136 -23.423 -19.213 1.00 61.44 H new ATOM 0 HD3 LYS A 73 -24.389 -23.302 -19.145 1.00 61.44 H new ATOM 0 HE2 LYS A 73 -24.197 -25.086 -17.591 1.00 4.23 H new ATOM 0 HE3 LYS A 73 -25.879 -24.976 -17.111 1.00 4.23 H new ATOM 0 HZ1 LYS A 73 -25.496 -26.879 -18.536 1.00 31.30 H new ATOM 0 HZ2 LYS A 73 -26.529 -25.775 -19.309 1.00 31.30 H new ATOM 0 HZ3 LYS A 73 -24.900 -25.882 -19.773 1.00 31.30 H new ATOM 1153 N VAL A 74 -21.333 -21.794 -15.413 1.00 21.50 N ATOM 1154 CA VAL A 74 -19.880 -21.669 -15.407 1.00 13.31 C ATOM 1155 C VAL A 74 -19.242 -22.709 -14.493 1.00 74.13 C ATOM 1156 O VAL A 74 -18.172 -23.239 -14.791 1.00 73.44 O ATOM 1157 CB VAL A 74 -19.440 -20.264 -14.953 1.00 34.11 C ATOM 1158 CG1 VAL A 74 -17.923 -20.165 -14.917 1.00 70.22 C ATOM 1159 CG2 VAL A 74 -20.031 -19.200 -15.866 1.00 20.30 C ATOM 0 H VAL A 74 -21.827 -20.994 -15.017 1.00 21.50 H new ATOM 0 HA VAL A 74 -19.544 -21.835 -16.431 1.00 13.31 H new ATOM 0 HB VAL A 74 -19.815 -20.093 -13.944 1.00 34.11 H new ATOM 0 HG11 VAL A 74 -17.631 -19.166 -14.594 1.00 70.22 H new ATOM 0 HG12 VAL A 74 -17.527 -20.902 -14.219 1.00 70.22 H new ATOM 0 HG13 VAL A 74 -17.522 -20.356 -15.912 1.00 70.22 H new ATOM 0 HG21 VAL A 74 -19.710 -18.214 -15.531 1.00 20.30 H new ATOM 0 HG22 VAL A 74 -19.688 -19.366 -16.887 1.00 20.30 H new ATOM 0 HG23 VAL A 74 -21.119 -19.257 -15.835 1.00 20.30 H new ATOM 1169 N SER A 75 -19.907 -22.997 -13.379 1.00 31.12 N ATOM 1170 CA SER A 75 -19.403 -23.972 -12.419 1.00 35.42 C ATOM 1171 C SER A 75 -19.489 -25.386 -12.985 1.00 62.44 C ATOM 1172 O SER A 75 -18.634 -26.229 -12.712 1.00 31.21 O ATOM 1173 CB SER A 75 -20.192 -23.886 -11.111 1.00 34.41 C ATOM 1174 OG SER A 75 -19.323 -23.763 -9.998 1.00 75.23 O ATOM 0 H SER A 75 -20.796 -22.569 -13.119 1.00 31.12 H new ATOM 0 HA SER A 75 -18.356 -23.742 -12.220 1.00 35.42 H new ATOM 0 HB2 SER A 75 -20.867 -23.031 -11.145 1.00 34.41 H new ATOM 0 HB3 SER A 75 -20.811 -24.776 -10.997 1.00 34.41 H new ATOM 0 HG SER A 75 -19.852 -23.708 -9.175 1.00 75.23 H new ATOM 1180 N ASP A 76 -20.526 -25.638 -13.776 1.00 72.30 N ATOM 1181 CA ASP A 76 -20.724 -26.949 -14.383 1.00 33.40 C ATOM 1182 C ASP A 76 -19.589 -27.279 -15.348 1.00 13.24 C ATOM 1183 O ASP A 76 -18.980 -28.346 -15.265 1.00 72.31 O ATOM 1184 CB ASP A 76 -22.065 -26.998 -15.118 1.00 1.42 C ATOM 1185 CG ASP A 76 -23.153 -27.656 -14.294 1.00 35.44 C ATOM 1186 OD1 ASP A 76 -22.847 -28.634 -13.579 1.00 15.24 O ATOM 1187 OD2 ASP A 76 -24.311 -27.194 -14.363 1.00 33.12 O ATOM 0 H ASP A 76 -21.243 -24.952 -14.012 1.00 72.30 H new ATOM 0 HA ASP A 76 -20.728 -27.693 -13.587 1.00 33.40 H new ATOM 0 HB2 ASP A 76 -22.372 -25.984 -15.376 1.00 1.42 H new ATOM 0 HB3 ASP A 76 -21.943 -27.542 -16.054 1.00 1.42 H new ATOM 1192 N LEU A 77 -19.311 -26.356 -16.262 1.00 63.51 N ATOM 1193 CA LEU A 77 -18.249 -26.549 -17.244 1.00 51.11 C ATOM 1194 C LEU A 77 -16.876 -26.456 -16.587 1.00 1.13 C ATOM 1195 O LEU A 77 -15.937 -27.145 -16.986 1.00 75.11 O ATOM 1196 CB LEU A 77 -18.365 -25.509 -18.360 1.00 3.44 C ATOM 1197 CG LEU A 77 -17.839 -24.111 -18.031 1.00 45.11 C ATOM 1198 CD1 LEU A 77 -16.372 -23.989 -18.415 1.00 52.45 C ATOM 1199 CD2 LEU A 77 -18.668 -23.049 -18.739 1.00 23.04 C ATOM 0 H LEU A 77 -19.805 -25.468 -16.344 1.00 63.51 H new ATOM 0 HA LEU A 77 -18.359 -27.546 -17.671 1.00 51.11 H new ATOM 0 HB2 LEU A 77 -17.829 -25.881 -19.233 1.00 3.44 H new ATOM 0 HB3 LEU A 77 -19.414 -25.424 -18.642 1.00 3.44 H new ATOM 0 HG LEU A 77 -17.926 -23.954 -16.956 1.00 45.11 H new ATOM 0 HD11 LEU A 77 -16.015 -22.988 -18.174 1.00 52.45 H new ATOM 0 HD12 LEU A 77 -15.789 -24.725 -17.862 1.00 52.45 H new ATOM 0 HD13 LEU A 77 -16.260 -24.166 -19.485 1.00 52.45 H new ATOM 0 HD21 LEU A 77 -18.280 -22.061 -18.493 1.00 23.04 H new ATOM 0 HD22 LEU A 77 -18.613 -23.203 -19.817 1.00 23.04 H new ATOM 0 HD23 LEU A 77 -19.706 -23.122 -18.415 1.00 23.04 H new ATOM 1211 N SER A 78 -16.766 -25.601 -15.575 1.00 54.52 N ATOM 1212 CA SER A 78 -15.507 -25.416 -14.863 1.00 34.21 C ATOM 1213 C SER A 78 -15.095 -26.699 -14.148 1.00 63.31 C ATOM 1214 O SER A 78 -14.002 -27.222 -14.367 1.00 24.04 O ATOM 1215 CB SER A 78 -15.631 -24.274 -13.853 1.00 41.51 C ATOM 1216 OG SER A 78 -14.659 -24.391 -12.828 1.00 73.33 O ATOM 0 H SER A 78 -17.534 -25.025 -15.230 1.00 54.52 H new ATOM 0 HA SER A 78 -14.738 -25.164 -15.593 1.00 34.21 H new ATOM 0 HB2 SER A 78 -15.512 -23.318 -14.364 1.00 41.51 H new ATOM 0 HB3 SER A 78 -16.629 -24.279 -13.414 1.00 41.51 H new ATOM 0 HG SER A 78 -14.856 -23.748 -12.115 1.00 73.33 H new ATOM 1222 N LYS A 79 -15.978 -27.202 -13.292 1.00 63.30 N ATOM 1223 CA LYS A 79 -15.708 -28.425 -12.544 1.00 55.24 C ATOM 1224 C LYS A 79 -15.602 -29.624 -13.482 1.00 13.54 C ATOM 1225 O LYS A 79 -14.912 -30.598 -13.183 1.00 14.34 O ATOM 1226 CB LYS A 79 -16.811 -28.668 -11.511 1.00 24.12 C ATOM 1227 CG LYS A 79 -17.015 -27.506 -10.555 1.00 11.24 C ATOM 1228 CD LYS A 79 -16.054 -27.574 -9.380 1.00 64.30 C ATOM 1229 CE LYS A 79 -16.640 -28.372 -8.226 1.00 20.35 C ATOM 1230 NZ LYS A 79 -16.265 -29.812 -8.299 1.00 41.51 N ATOM 0 H LYS A 79 -16.887 -26.782 -13.099 1.00 63.30 H new ATOM 0 HA LYS A 79 -14.755 -28.304 -12.028 1.00 55.24 H new ATOM 0 HB2 LYS A 79 -17.747 -28.868 -12.032 1.00 24.12 H new ATOM 0 HB3 LYS A 79 -16.569 -29.562 -10.937 1.00 24.12 H new ATOM 0 HG2 LYS A 79 -16.873 -26.566 -11.088 1.00 11.24 H new ATOM 0 HG3 LYS A 79 -18.041 -27.512 -10.188 1.00 11.24 H new ATOM 0 HD2 LYS A 79 -15.117 -28.030 -9.701 1.00 64.30 H new ATOM 0 HD3 LYS A 79 -15.818 -26.565 -9.043 1.00 64.30 H new ATOM 0 HE2 LYS A 79 -16.292 -27.954 -7.282 1.00 20.35 H new ATOM 0 HE3 LYS A 79 -17.726 -28.279 -8.235 1.00 20.35 H new ATOM 0 HZ1 LYS A 79 -16.314 -30.232 -7.349 1.00 41.51 H new ATOM 0 HZ2 LYS A 79 -16.923 -30.310 -8.932 1.00 41.51 H new ATOM 0 HZ3 LYS A 79 -15.296 -29.900 -8.667 1.00 41.51 H new ATOM 1244 N ALA A 80 -16.289 -29.544 -14.617 1.00 22.13 N ATOM 1245 CA ALA A 80 -16.268 -30.621 -15.599 1.00 14.11 C ATOM 1246 C ALA A 80 -14.938 -30.661 -16.342 1.00 44.33 C ATOM 1247 O ALA A 80 -14.402 -29.623 -16.734 1.00 13.04 O ATOM 1248 CB ALA A 80 -17.419 -30.461 -16.581 1.00 74.31 C ATOM 0 H ALA A 80 -16.867 -28.745 -14.879 1.00 22.13 H new ATOM 0 HA ALA A 80 -16.386 -31.566 -15.068 1.00 14.11 H new ATOM 0 HB1 ALA A 80 -17.392 -31.272 -17.309 1.00 74.31 H new ATOM 0 HB2 ALA A 80 -18.365 -30.490 -16.041 1.00 74.31 H new ATOM 0 HB3 ALA A 80 -17.326 -29.506 -17.098 1.00 74.31 H new ATOM 1254 N HIS A 81 -14.408 -31.865 -16.534 1.00 5.44 N ATOM 1255 CA HIS A 81 -13.138 -32.039 -17.231 1.00 31.14 C ATOM 1256 C HIS A 81 -13.031 -33.442 -17.821 1.00 2.11 C ATOM 1257 O HIS A 81 -12.821 -34.416 -17.097 1.00 1.20 O ATOM 1258 CB HIS A 81 -11.970 -31.783 -16.278 1.00 62.31 C ATOM 1259 CG HIS A 81 -10.677 -31.500 -16.979 1.00 23.22 C ATOM 1260 ND1 HIS A 81 -9.552 -32.284 -16.829 1.00 73.11 N ATOM 1261 CD2 HIS A 81 -10.334 -30.513 -17.839 1.00 64.00 C ATOM 1262 CE1 HIS A 81 -8.573 -31.790 -17.566 1.00 21.55 C ATOM 1263 NE2 HIS A 81 -9.021 -30.716 -18.189 1.00 12.32 N ATOM 0 H HIS A 81 -14.838 -32.734 -16.217 1.00 5.44 H new ATOM 0 HA HIS A 81 -13.096 -31.317 -18.046 1.00 31.14 H new ATOM 0 HB2 HIS A 81 -12.216 -30.940 -15.633 1.00 62.31 H new ATOM 0 HB3 HIS A 81 -11.841 -32.652 -15.632 1.00 62.31 H new ATOM 0 HD2 HIS A 81 -10.973 -29.715 -18.186 1.00 64.00 H new ATOM 0 HE1 HIS A 81 -7.575 -32.196 -17.645 1.00 21.55 H new ATOM 0 HE2 HIS A 81 -8.480 -30.132 -18.827 1.00 12.32 H new TER 1272 HIS A 81