USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=19 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= -1.12 K(o=-1.2,f=-3.6!) USER MOD Set 1.2: A 51 TYR OH : rot -26:sc= 0.411 USER MOD Set 1.3: A 58 SER OG : rot -102:sc= -0.488 USER MOD Set 2.1: A 28 HIS : no HD1:sc= -0.361 K(o=-1.3,f=-0.31) USER MOD Set 2.2: A 31 LYS NZ :NH3+ -139:sc= -0.928 (180deg=-0.485) USER MOD Set 3.1: A 13 THR OG1 : rot -74:sc= 0.698 USER MOD Set 3.2: A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.00579 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0164 USER MOD Single : A 3 ASN : amide:sc= -0.634 X(o=-0.63,f=-0.9) USER MOD Single : A 5 LYS NZ :NH3+ -118:sc= -0.0171 (180deg=-0.211) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0403) USER MOD Single : A 11 HIS : no HD1:sc= -0.125 X(o=-0.13,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0904) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.595 USER MOD Single : A 25 ASN : amide:sc= -1.13 K(o=-1.1,f=-0.014) USER MOD Single : A 38 GLN : amide:sc= -2.2 K(o=-2.2,f=-1.4) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= -0.703 K(o=-0.7,f=-0.017) USER MOD Single : A 47 SER OG : rot 54:sc= 1.21 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -2.08 K(o=-2.1,f=-1.3) USER MOD Single : A 57 THR OG1 : rot -27:sc= 0.0126 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= -0.418 K(o=-0.42,f=-0.98) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -179:sc= 0 (180deg=-8.81e-05) 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 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -152:sc= 0.603 (180deg=0.225) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.632 -1.062 3.680 1.00 32.30 N ATOM 2 CA GLY A 1 1.652 -0.857 2.668 1.00 13.44 C ATOM 3 C GLY A 1 1.503 -1.803 1.494 1.00 33.40 C ATOM 4 O GLY A 1 0.390 -2.071 1.041 1.00 31.10 O ATOM 0 H1 GLY A 1 0.255 -0.142 3.984 1.00 32.30 H new ATOM 0 H2 GLY A 1 -0.138 -1.638 3.285 1.00 32.30 H new ATOM 0 H3 GLY A 1 1.047 -1.553 4.497 1.00 32.30 H new ATOM 0 HA2 GLY A 1 1.603 0.171 2.310 1.00 13.44 H new ATOM 0 HA3 GLY A 1 2.636 -0.992 3.116 1.00 13.44 H new ATOM 8 N SER A 2 2.627 -2.311 0.998 1.00 10.35 N ATOM 9 CA SER A 2 2.617 -3.229 -0.134 1.00 41.23 C ATOM 10 C SER A 2 1.679 -4.403 0.126 1.00 34.13 C ATOM 11 O SER A 2 1.730 -5.030 1.183 1.00 23.14 O ATOM 12 CB SER A 2 4.031 -3.743 -0.413 1.00 73.23 C ATOM 13 OG SER A 2 4.761 -3.905 0.790 1.00 23.01 O ATOM 0 H SER A 2 3.556 -2.102 1.363 1.00 10.35 H new ATOM 0 HA SER A 2 2.256 -2.686 -1.007 1.00 41.23 H new ATOM 0 HB2 SER A 2 3.978 -4.695 -0.941 1.00 73.23 H new ATOM 0 HB3 SER A 2 4.553 -3.045 -1.067 1.00 73.23 H new ATOM 0 HG SER A 2 5.660 -4.236 0.585 1.00 23.01 H new ATOM 19 N ASN A 3 0.821 -4.694 -0.846 1.00 60.35 N ATOM 20 CA ASN A 3 -0.130 -5.793 -0.723 1.00 54.32 C ATOM 21 C ASN A 3 -0.635 -6.232 -2.094 1.00 64.14 C ATOM 22 O ASN A 3 -0.913 -5.402 -2.959 1.00 70.00 O ATOM 23 CB ASN A 3 -1.311 -5.376 0.157 1.00 24.31 C ATOM 24 CG ASN A 3 -1.013 -5.534 1.636 1.00 70.43 C ATOM 25 OD1 ASN A 3 -0.945 -6.650 2.151 1.00 71.53 O ATOM 26 ND2 ASN A 3 -0.834 -4.414 2.326 1.00 32.21 N ATOM 0 H ASN A 3 0.765 -4.184 -1.728 1.00 60.35 H new ATOM 0 HA ASN A 3 0.384 -6.634 -0.258 1.00 54.32 H new ATOM 0 HB2 ASN A 3 -1.566 -4.337 -0.051 1.00 24.31 H new ATOM 0 HB3 ASN A 3 -2.183 -5.976 -0.101 1.00 24.31 H new ATOM 0 HD21 ASN A 3 -0.631 -4.457 3.325 1.00 32.21 H new ATOM 0 HD22 ASN A 3 -0.900 -3.510 1.857 1.00 32.21 H new ATOM 33 N GLU A 4 -0.750 -7.543 -2.285 1.00 4.24 N ATOM 34 CA GLU A 4 -1.220 -8.092 -3.551 1.00 11.02 C ATOM 35 C GLU A 4 -2.451 -8.969 -3.340 1.00 11.33 C ATOM 36 O GLU A 4 -2.419 -9.929 -2.570 1.00 14.12 O ATOM 37 CB GLU A 4 -0.111 -8.904 -4.223 1.00 73.23 C ATOM 38 CG GLU A 4 -0.303 -9.072 -5.721 1.00 41.03 C ATOM 39 CD GLU A 4 0.862 -9.784 -6.382 1.00 53.42 C ATOM 40 OE1 GLU A 4 1.466 -10.662 -5.733 1.00 62.53 O ATOM 41 OE2 GLU A 4 1.168 -9.461 -7.549 1.00 71.13 O ATOM 0 H GLU A 4 -0.524 -8.244 -1.579 1.00 4.24 H new ATOM 0 HA GLU A 4 -1.495 -7.260 -4.199 1.00 11.02 H new ATOM 0 HB2 GLU A 4 0.847 -8.416 -4.040 1.00 73.23 H new ATOM 0 HB3 GLU A 4 -0.061 -9.889 -3.759 1.00 73.23 H new ATOM 0 HG2 GLU A 4 -1.219 -9.633 -5.906 1.00 41.03 H new ATOM 0 HG3 GLU A 4 -0.432 -8.091 -6.179 1.00 41.03 H new ATOM 48 N LYS A 5 -3.536 -8.631 -4.029 1.00 2.12 N ATOM 49 CA LYS A 5 -4.778 -9.386 -3.919 1.00 54.22 C ATOM 50 C LYS A 5 -5.064 -10.154 -5.206 1.00 0.51 C ATOM 51 O LYS A 5 -5.612 -9.617 -6.169 1.00 10.32 O ATOM 52 CB LYS A 5 -5.944 -8.446 -3.604 1.00 52.32 C ATOM 53 CG LYS A 5 -5.767 -7.668 -2.311 1.00 64.45 C ATOM 54 CD LYS A 5 -6.532 -6.356 -2.340 1.00 43.14 C ATOM 55 CE LYS A 5 -6.219 -5.501 -1.122 1.00 20.55 C ATOM 56 NZ LYS A 5 -4.814 -5.008 -1.136 1.00 11.22 N ATOM 0 H LYS A 5 -3.580 -7.839 -4.670 1.00 2.12 H new ATOM 0 HA LYS A 5 -4.667 -10.103 -3.106 1.00 54.22 H new ATOM 0 HB2 LYS A 5 -6.065 -7.742 -4.428 1.00 52.32 H new ATOM 0 HB3 LYS A 5 -6.863 -9.029 -3.545 1.00 52.32 H new ATOM 0 HG2 LYS A 5 -6.111 -8.272 -1.472 1.00 64.45 H new ATOM 0 HG3 LYS A 5 -4.708 -7.469 -2.147 1.00 64.45 H new ATOM 0 HD2 LYS A 5 -6.279 -5.806 -3.246 1.00 43.14 H new ATOM 0 HD3 LYS A 5 -7.602 -6.559 -2.378 1.00 43.14 H new ATOM 0 HE2 LYS A 5 -6.901 -4.652 -1.090 1.00 20.55 H new ATOM 0 HE3 LYS A 5 -6.391 -6.083 -0.216 1.00 20.55 H new ATOM 0 HZ1 LYS A 5 -4.307 -5.382 -0.309 1.00 11.22 H new ATOM 0 HZ2 LYS A 5 -4.342 -5.328 -2.006 1.00 11.22 H new ATOM 0 HZ3 LYS A 5 -4.810 -3.969 -1.103 1.00 11.22 H new ATOM 70 N PRO A 6 -4.686 -11.440 -5.225 1.00 30.34 N ATOM 71 CA PRO A 6 -4.894 -12.310 -6.387 1.00 5.44 C ATOM 72 C PRO A 6 -6.366 -12.637 -6.610 1.00 20.11 C ATOM 73 O PRO A 6 -7.211 -12.355 -5.761 1.00 15.34 O ATOM 74 CB PRO A 6 -4.113 -13.576 -6.026 1.00 42.12 C ATOM 75 CG PRO A 6 -4.077 -13.588 -4.537 1.00 4.31 C ATOM 76 CD PRO A 6 -4.027 -12.146 -4.112 1.00 54.05 C ATOM 0 HA PRO A 6 -4.565 -11.839 -7.313 1.00 5.44 H new ATOM 0 HB2 PRO A 6 -4.602 -14.468 -6.417 1.00 42.12 H new ATOM 0 HB3 PRO A 6 -3.107 -13.554 -6.446 1.00 42.12 H new ATOM 0 HG2 PRO A 6 -4.958 -14.085 -4.129 1.00 4.31 H new ATOM 0 HG3 PRO A 6 -3.206 -14.133 -4.172 1.00 4.31 H new ATOM 0 HD2 PRO A 6 -4.550 -11.986 -3.169 1.00 54.05 H new ATOM 0 HD3 PRO A 6 -3.002 -11.804 -3.970 1.00 54.05 H new ATOM 84 N LYS A 7 -6.667 -13.235 -7.758 1.00 22.03 N ATOM 85 CA LYS A 7 -8.037 -13.603 -8.093 1.00 32.30 C ATOM 86 C LYS A 7 -8.182 -15.118 -8.205 1.00 44.44 C ATOM 87 O LYS A 7 -7.229 -15.819 -8.547 1.00 1.50 O ATOM 88 CB LYS A 7 -8.458 -12.941 -9.407 1.00 31.21 C ATOM 89 CG LYS A 7 -8.386 -11.424 -9.374 1.00 73.40 C ATOM 90 CD LYS A 7 -8.178 -10.846 -10.763 1.00 43.25 C ATOM 91 CE LYS A 7 -6.735 -10.999 -11.220 1.00 50.02 C ATOM 92 NZ LYS A 7 -6.551 -10.563 -12.632 1.00 70.43 N ATOM 0 H LYS A 7 -5.980 -13.475 -8.472 1.00 22.03 H new ATOM 0 HA LYS A 7 -8.687 -13.252 -7.292 1.00 32.30 H new ATOM 0 HB2 LYS A 7 -7.820 -13.309 -10.210 1.00 31.21 H new ATOM 0 HB3 LYS A 7 -9.478 -13.243 -9.646 1.00 31.21 H new ATOM 0 HG2 LYS A 7 -9.306 -11.024 -8.946 1.00 73.40 H new ATOM 0 HG3 LYS A 7 -7.570 -11.112 -8.723 1.00 73.40 H new ATOM 0 HD2 LYS A 7 -8.840 -11.347 -11.470 1.00 43.25 H new ATOM 0 HD3 LYS A 7 -8.451 -9.791 -10.764 1.00 43.25 H new ATOM 0 HE2 LYS A 7 -6.084 -10.413 -10.571 1.00 50.02 H new ATOM 0 HE3 LYS A 7 -6.431 -12.041 -11.119 1.00 50.02 H new ATOM 0 HZ1 LYS A 7 -5.555 -10.683 -12.905 1.00 70.43 H new ATOM 0 HZ2 LYS A 7 -7.153 -11.139 -13.255 1.00 70.43 H new ATOM 0 HZ3 LYS A 7 -6.817 -9.562 -12.724 1.00 70.43 H new ATOM 106 N VAL A 8 -9.380 -15.616 -7.917 1.00 64.41 N ATOM 107 CA VAL A 8 -9.649 -17.047 -7.989 1.00 33.45 C ATOM 108 C VAL A 8 -10.795 -17.343 -8.950 1.00 30.53 C ATOM 109 O VAL A 8 -11.678 -16.511 -9.156 1.00 51.23 O ATOM 110 CB VAL A 8 -9.995 -17.623 -6.602 1.00 61.34 C ATOM 111 CG1 VAL A 8 -11.329 -17.078 -6.115 1.00 62.40 C ATOM 112 CG2 VAL A 8 -10.015 -19.144 -6.648 1.00 12.35 C ATOM 0 H VAL A 8 -10.179 -15.050 -7.632 1.00 64.41 H new ATOM 0 HA VAL A 8 -8.739 -17.522 -8.356 1.00 33.45 H new ATOM 0 HB VAL A 8 -9.225 -17.313 -5.896 1.00 61.34 H new ATOM 0 HG11 VAL A 8 -11.557 -17.496 -5.134 1.00 62.40 H new ATOM 0 HG12 VAL A 8 -11.274 -15.992 -6.043 1.00 62.40 H new ATOM 0 HG13 VAL A 8 -12.114 -17.355 -6.819 1.00 62.40 H new ATOM 0 HG21 VAL A 8 -10.261 -19.535 -5.661 1.00 12.35 H new ATOM 0 HG22 VAL A 8 -10.764 -19.476 -7.367 1.00 12.35 H new ATOM 0 HG23 VAL A 8 -9.034 -19.512 -6.950 1.00 12.35 H new ATOM 122 N LYS A 9 -10.775 -18.536 -9.536 1.00 13.24 N ATOM 123 CA LYS A 9 -11.813 -18.945 -10.475 1.00 11.24 C ATOM 124 C LYS A 9 -13.185 -18.937 -9.807 1.00 44.32 C ATOM 125 O LYS A 9 -14.182 -18.552 -10.418 1.00 61.34 O ATOM 126 CB LYS A 9 -11.510 -20.340 -11.025 1.00 73.13 C ATOM 127 CG LYS A 9 -10.128 -20.463 -11.643 1.00 74.54 C ATOM 128 CD LYS A 9 -10.094 -21.532 -12.723 1.00 42.02 C ATOM 129 CE LYS A 9 -8.981 -21.274 -13.727 1.00 41.13 C ATOM 130 NZ LYS A 9 -8.603 -22.510 -14.466 1.00 70.24 N ATOM 0 H LYS A 9 -10.051 -19.237 -9.377 1.00 13.24 H new ATOM 0 HA LYS A 9 -11.825 -18.231 -11.298 1.00 11.24 H new ATOM 0 HB2 LYS A 9 -11.604 -21.068 -10.219 1.00 73.13 H new ATOM 0 HB3 LYS A 9 -12.258 -20.596 -11.775 1.00 73.13 H new ATOM 0 HG2 LYS A 9 -9.832 -19.504 -12.069 1.00 74.54 H new ATOM 0 HG3 LYS A 9 -9.402 -20.705 -10.867 1.00 74.54 H new ATOM 0 HD2 LYS A 9 -9.952 -22.510 -12.264 1.00 42.02 H new ATOM 0 HD3 LYS A 9 -11.053 -21.559 -13.240 1.00 42.02 H new ATOM 0 HE2 LYS A 9 -9.301 -20.511 -14.436 1.00 41.13 H new ATOM 0 HE3 LYS A 9 -8.107 -20.880 -13.208 1.00 41.13 H new ATOM 0 HZ1 LYS A 9 -7.842 -22.292 -15.140 1.00 70.24 H new ATOM 0 HZ2 LYS A 9 -8.273 -23.230 -13.792 1.00 70.24 H new ATOM 0 HZ3 LYS A 9 -9.430 -22.872 -14.983 1.00 70.24 H new ATOM 144 N LYS A 10 -13.228 -19.362 -8.549 1.00 42.11 N ATOM 145 CA LYS A 10 -14.476 -19.401 -7.797 1.00 31.33 C ATOM 146 C LYS A 10 -15.094 -18.010 -7.694 1.00 24.31 C ATOM 147 O LYS A 10 -16.291 -17.869 -7.445 1.00 12.42 O ATOM 148 CB LYS A 10 -14.234 -19.968 -6.396 1.00 64.10 C ATOM 149 CG LYS A 10 -14.198 -21.486 -6.352 1.00 4.11 C ATOM 150 CD LYS A 10 -12.798 -22.018 -6.609 1.00 61.23 C ATOM 151 CE LYS A 10 -12.686 -23.491 -6.247 1.00 33.14 C ATOM 152 NZ LYS A 10 -13.644 -24.327 -7.022 1.00 61.40 N ATOM 0 H LYS A 10 -12.412 -19.684 -8.029 1.00 42.11 H new ATOM 0 HA LYS A 10 -15.171 -20.049 -8.330 1.00 31.33 H new ATOM 0 HB2 LYS A 10 -13.290 -19.579 -6.014 1.00 64.10 H new ATOM 0 HB3 LYS A 10 -15.019 -19.612 -5.729 1.00 64.10 H new ATOM 0 HG2 LYS A 10 -14.546 -21.831 -5.379 1.00 4.11 H new ATOM 0 HG3 LYS A 10 -14.884 -21.889 -7.097 1.00 4.11 H new ATOM 0 HD2 LYS A 10 -12.542 -21.880 -7.660 1.00 61.23 H new ATOM 0 HD3 LYS A 10 -12.077 -21.444 -6.027 1.00 61.23 H new ATOM 0 HE2 LYS A 10 -11.669 -23.835 -6.435 1.00 33.14 H new ATOM 0 HE3 LYS A 10 -12.873 -23.618 -5.181 1.00 33.14 H new ATOM 0 HZ1 LYS A 10 -13.435 -25.333 -6.862 1.00 61.40 H new ATOM 0 HZ2 LYS A 10 -14.615 -24.121 -6.711 1.00 61.40 H new ATOM 0 HZ3 LYS A 10 -13.552 -24.111 -8.035 1.00 61.40 H new ATOM 166 N HIS A 11 -14.269 -16.986 -7.889 1.00 11.14 N ATOM 167 CA HIS A 11 -14.735 -15.606 -7.820 1.00 14.53 C ATOM 168 C HIS A 11 -15.802 -15.339 -8.878 1.00 0.04 C ATOM 169 O HIS A 11 -16.555 -14.369 -8.783 1.00 31.44 O ATOM 170 CB HIS A 11 -13.565 -14.640 -8.004 1.00 44.34 C ATOM 171 CG HIS A 11 -13.751 -13.331 -7.301 1.00 11.22 C ATOM 172 ND1 HIS A 11 -13.457 -12.115 -7.882 1.00 31.42 N ATOM 173 CD2 HIS A 11 -14.207 -13.051 -6.057 1.00 63.32 C ATOM 174 CE1 HIS A 11 -13.722 -11.145 -7.025 1.00 40.15 C ATOM 175 NE2 HIS A 11 -14.179 -11.686 -5.911 1.00 23.24 N ATOM 0 H HIS A 11 -13.275 -17.086 -8.096 1.00 11.14 H new ATOM 0 HA HIS A 11 -15.176 -15.447 -6.836 1.00 14.53 H new ATOM 0 HB2 HIS A 11 -12.654 -15.113 -7.638 1.00 44.34 H new ATOM 0 HB3 HIS A 11 -13.422 -14.454 -9.069 1.00 44.34 H new ATOM 0 HD2 HIS A 11 -14.532 -13.768 -5.317 1.00 63.32 H new ATOM 0 HE1 HIS A 11 -13.588 -10.089 -7.205 1.00 40.15 H new ATOM 0 HE2 HIS A 11 -14.465 -11.173 -5.077 1.00 23.24 H new ATOM 184 N ILE A 12 -15.859 -16.204 -9.884 1.00 73.42 N ATOM 185 CA ILE A 12 -16.834 -16.062 -10.959 1.00 4.11 C ATOM 186 C ILE A 12 -18.248 -15.932 -10.405 1.00 13.12 C ATOM 187 O ILE A 12 -19.117 -15.319 -11.026 1.00 73.34 O ATOM 188 CB ILE A 12 -16.782 -17.258 -11.928 1.00 43.30 C ATOM 189 CG1 ILE A 12 -17.684 -17.002 -13.137 1.00 33.22 C ATOM 190 CG2 ILE A 12 -17.193 -18.536 -11.214 1.00 31.52 C ATOM 191 CD1 ILE A 12 -19.074 -17.580 -12.986 1.00 60.42 C ATOM 0 H ILE A 12 -15.242 -17.011 -9.978 1.00 73.42 H new ATOM 0 HA ILE A 12 -16.574 -15.153 -11.502 1.00 4.11 H new ATOM 0 HB ILE A 12 -15.758 -17.376 -12.282 1.00 43.30 H new ATOM 0 HG12 ILE A 12 -17.762 -15.927 -13.301 1.00 33.22 H new ATOM 0 HG13 ILE A 12 -17.217 -17.427 -14.025 1.00 33.22 H new ATOM 0 HG21 ILE A 12 -17.151 -19.372 -11.912 1.00 31.52 H new ATOM 0 HG22 ILE A 12 -16.513 -18.723 -10.383 1.00 31.52 H new ATOM 0 HG23 ILE A 12 -18.209 -18.430 -10.835 1.00 31.52 H new ATOM 0 HD11 ILE A 12 -19.658 -17.361 -13.880 1.00 60.42 H new ATOM 0 HD12 ILE A 12 -19.007 -18.660 -12.852 1.00 60.42 H new ATOM 0 HD13 ILE A 12 -19.560 -17.137 -12.117 1.00 60.42 H new ATOM 203 N THR A 13 -18.473 -16.511 -9.230 1.00 33.44 N ATOM 204 CA THR A 13 -19.782 -16.460 -8.590 1.00 70.24 C ATOM 205 C THR A 13 -20.125 -15.041 -8.152 1.00 25.15 C ATOM 206 O THR A 13 -21.140 -14.482 -8.565 1.00 11.53 O ATOM 207 CB THR A 13 -19.846 -17.393 -7.367 1.00 34.54 C ATOM 208 OG1 THR A 13 -18.841 -17.025 -6.416 1.00 63.01 O ATOM 209 CG2 THR A 13 -19.652 -18.844 -7.781 1.00 71.15 C ATOM 0 H THR A 13 -17.765 -17.021 -8.702 1.00 33.44 H new ATOM 0 HA THR A 13 -20.509 -16.794 -9.330 1.00 70.24 H new ATOM 0 HB THR A 13 -20.831 -17.290 -6.912 1.00 34.54 H new ATOM 0 HG1 THR A 13 -17.961 -17.304 -6.745 1.00 63.01 H new ATOM 0 HG21 THR A 13 -19.701 -19.484 -6.900 1.00 71.15 H new ATOM 0 HG22 THR A 13 -20.436 -19.130 -8.482 1.00 71.15 H new ATOM 0 HG23 THR A 13 -18.679 -18.959 -8.259 1.00 71.15 H new ATOM 217 N SER A 14 -19.270 -14.464 -7.313 1.00 15.35 N ATOM 218 CA SER A 14 -19.485 -13.110 -6.815 1.00 42.21 C ATOM 219 C SER A 14 -19.300 -12.086 -7.931 1.00 11.43 C ATOM 220 O SER A 14 -19.862 -10.992 -7.883 1.00 44.31 O ATOM 221 CB SER A 14 -18.522 -12.808 -5.665 1.00 42.34 C ATOM 222 OG SER A 14 -18.484 -13.878 -4.737 1.00 41.03 O ATOM 0 H SER A 14 -18.423 -14.912 -6.964 1.00 15.35 H new ATOM 0 HA SER A 14 -20.509 -13.042 -6.449 1.00 42.21 H new ATOM 0 HB2 SER A 14 -17.522 -12.630 -6.061 1.00 42.34 H new ATOM 0 HB3 SER A 14 -18.831 -11.894 -5.158 1.00 42.34 H new ATOM 0 HG SER A 14 -17.860 -13.661 -4.013 1.00 41.03 H new ATOM 228 N ALA A 15 -18.508 -12.449 -8.934 1.00 73.42 N ATOM 229 CA ALA A 15 -18.250 -11.564 -10.063 1.00 72.32 C ATOM 230 C ALA A 15 -19.485 -11.429 -10.948 1.00 63.11 C ATOM 231 O ALA A 15 -19.933 -10.320 -11.241 1.00 11.35 O ATOM 232 CB ALA A 15 -17.070 -12.076 -10.875 1.00 45.54 C ATOM 0 H ALA A 15 -18.034 -13.350 -8.988 1.00 73.42 H new ATOM 0 HA ALA A 15 -18.006 -10.576 -9.671 1.00 72.32 H new ATOM 0 HB1 ALA A 15 -16.888 -11.406 -11.715 1.00 45.54 H new ATOM 0 HB2 ALA A 15 -16.183 -12.115 -10.243 1.00 45.54 H new ATOM 0 HB3 ALA A 15 -17.292 -13.075 -11.250 1.00 45.54 H new ATOM 238 N LEU A 16 -20.030 -12.564 -11.373 1.00 4.24 N ATOM 239 CA LEU A 16 -21.213 -12.572 -12.226 1.00 30.14 C ATOM 240 C LEU A 16 -22.323 -11.715 -11.625 1.00 61.05 C ATOM 241 O LEU A 16 -22.975 -10.943 -12.328 1.00 40.34 O ATOM 242 CB LEU A 16 -21.711 -14.004 -12.426 1.00 71.44 C ATOM 243 CG LEU A 16 -21.505 -14.597 -13.821 1.00 32.43 C ATOM 244 CD1 LEU A 16 -20.030 -14.593 -14.190 1.00 61.01 C ATOM 245 CD2 LEU A 16 -22.070 -16.009 -13.889 1.00 3.13 C ATOM 0 H LEU A 16 -19.671 -13.490 -11.141 1.00 4.24 H new ATOM 0 HA LEU A 16 -20.937 -12.151 -13.193 1.00 30.14 H new ATOM 0 HB2 LEU A 16 -21.209 -14.646 -11.702 1.00 71.44 H new ATOM 0 HB3 LEU A 16 -22.776 -14.033 -12.194 1.00 71.44 H new ATOM 0 HG LEU A 16 -22.040 -13.978 -14.541 1.00 32.43 H new ATOM 0 HD11 LEU A 16 -19.903 -15.018 -15.185 1.00 61.01 H new ATOM 0 HD12 LEU A 16 -19.656 -13.569 -14.182 1.00 61.01 H new ATOM 0 HD13 LEU A 16 -19.472 -15.188 -13.467 1.00 61.01 H new ATOM 0 HD21 LEU A 16 -21.915 -16.415 -14.888 1.00 3.13 H new ATOM 0 HD22 LEU A 16 -21.563 -16.639 -13.158 1.00 3.13 H new ATOM 0 HD23 LEU A 16 -23.137 -15.985 -13.669 1.00 3.13 H new ATOM 257 N LYS A 17 -22.531 -11.855 -10.321 1.00 12.23 N ATOM 258 CA LYS A 17 -23.559 -11.091 -9.623 1.00 75.55 C ATOM 259 C LYS A 17 -23.374 -9.595 -9.851 1.00 53.44 C ATOM 260 O LYS A 17 -24.346 -8.843 -9.928 1.00 53.23 O ATOM 261 CB LYS A 17 -23.523 -11.398 -8.125 1.00 32.24 C ATOM 262 CG LYS A 17 -23.960 -12.812 -7.782 1.00 72.14 C ATOM 263 CD LYS A 17 -25.349 -12.833 -7.167 1.00 12.33 C ATOM 264 CE LYS A 17 -25.317 -13.347 -5.736 1.00 30.23 C ATOM 265 NZ LYS A 17 -26.588 -13.060 -5.015 1.00 20.45 N ATOM 0 H LYS A 17 -22.001 -12.491 -9.725 1.00 12.23 H new ATOM 0 HA LYS A 17 -24.529 -11.384 -10.024 1.00 75.55 H new ATOM 0 HB2 LYS A 17 -22.510 -11.240 -7.755 1.00 32.24 H new ATOM 0 HB3 LYS A 17 -24.167 -10.691 -7.602 1.00 32.24 H new ATOM 0 HG2 LYS A 17 -23.951 -13.425 -8.683 1.00 72.14 H new ATOM 0 HG3 LYS A 17 -23.247 -13.256 -7.087 1.00 72.14 H new ATOM 0 HD2 LYS A 17 -25.771 -11.828 -7.184 1.00 12.33 H new ATOM 0 HD3 LYS A 17 -26.004 -13.464 -7.767 1.00 12.33 H new ATOM 0 HE2 LYS A 17 -25.137 -14.422 -5.740 1.00 30.23 H new ATOM 0 HE3 LYS A 17 -24.485 -12.886 -5.203 1.00 30.23 H new ATOM 0 HZ1 LYS A 17 -26.526 -13.426 -4.043 1.00 20.45 H new ATOM 0 HZ2 LYS A 17 -26.748 -12.033 -4.989 1.00 20.45 H new ATOM 0 HZ3 LYS A 17 -27.379 -13.521 -5.509 1.00 20.45 H new ATOM 279 N LYS A 18 -22.121 -9.168 -9.960 1.00 43.01 N ATOM 280 CA LYS A 18 -21.807 -7.761 -10.182 1.00 73.42 C ATOM 281 C LYS A 18 -22.059 -7.371 -11.635 1.00 12.30 C ATOM 282 O LYS A 18 -22.479 -6.249 -11.923 1.00 60.11 O ATOM 283 CB LYS A 18 -20.350 -7.478 -9.812 1.00 43.11 C ATOM 284 CG LYS A 18 -20.154 -7.104 -8.353 1.00 32.41 C ATOM 285 CD LYS A 18 -18.694 -7.197 -7.944 1.00 63.42 C ATOM 286 CE LYS A 18 -18.548 -7.593 -6.483 1.00 1.23 C ATOM 287 NZ LYS A 18 -18.695 -6.422 -5.574 1.00 72.12 N ATOM 0 H LYS A 18 -21.305 -9.777 -9.898 1.00 43.01 H new ATOM 0 HA LYS A 18 -22.459 -7.164 -9.545 1.00 73.42 H new ATOM 0 HB2 LYS A 18 -19.749 -8.360 -10.036 1.00 43.11 H new ATOM 0 HB3 LYS A 18 -19.975 -6.669 -10.439 1.00 43.11 H new ATOM 0 HG2 LYS A 18 -20.516 -6.090 -8.185 1.00 32.41 H new ATOM 0 HG3 LYS A 18 -20.752 -7.764 -7.724 1.00 32.41 H new ATOM 0 HD2 LYS A 18 -18.185 -7.928 -8.573 1.00 63.42 H new ATOM 0 HD3 LYS A 18 -18.206 -6.237 -8.112 1.00 63.42 H new ATOM 0 HE2 LYS A 18 -19.298 -8.343 -6.233 1.00 1.23 H new ATOM 0 HE3 LYS A 18 -17.572 -8.054 -6.327 1.00 1.23 H new ATOM 0 HZ1 LYS A 18 -18.589 -6.733 -4.587 1.00 72.12 H new ATOM 0 HZ2 LYS A 18 -17.963 -5.717 -5.795 1.00 72.12 H new ATOM 0 HZ3 LYS A 18 -19.635 -5.997 -5.704 1.00 72.12 H new ATOM 301 N LEU A 19 -21.802 -8.302 -12.546 1.00 61.24 N ATOM 302 CA LEU A 19 -22.002 -8.056 -13.970 1.00 54.42 C ATOM 303 C LEU A 19 -23.471 -7.777 -14.273 1.00 72.10 C ATOM 304 O LEU A 19 -23.806 -6.782 -14.916 1.00 64.01 O ATOM 305 CB LEU A 19 -21.520 -9.254 -14.788 1.00 64.55 C ATOM 306 CG LEU A 19 -20.095 -9.163 -15.338 1.00 14.54 C ATOM 307 CD1 LEU A 19 -19.578 -10.542 -15.714 1.00 33.32 C ATOM 308 CD2 LEU A 19 -20.046 -8.227 -16.537 1.00 4.13 C ATOM 0 H LEU A 19 -21.454 -9.235 -12.324 1.00 61.24 H new ATOM 0 HA LEU A 19 -21.419 -7.177 -14.247 1.00 54.42 H new ATOM 0 HB2 LEU A 19 -21.591 -10.146 -14.165 1.00 64.55 H new ATOM 0 HB3 LEU A 19 -22.203 -9.395 -15.626 1.00 64.55 H new ATOM 0 HG LEU A 19 -19.450 -8.757 -14.558 1.00 14.54 H new ATOM 0 HD11 LEU A 19 -18.563 -10.457 -16.103 1.00 33.32 H new ATOM 0 HD12 LEU A 19 -19.576 -11.183 -14.832 1.00 33.32 H new ATOM 0 HD13 LEU A 19 -20.224 -10.977 -16.477 1.00 33.32 H new ATOM 0 HD21 LEU A 19 -19.025 -8.174 -16.916 1.00 4.13 H new ATOM 0 HD22 LEU A 19 -20.704 -8.604 -17.320 1.00 4.13 H new ATOM 0 HD23 LEU A 19 -20.373 -7.232 -16.235 1.00 4.13 H new ATOM 320 N VAL A 20 -24.345 -8.662 -13.803 1.00 51.14 N ATOM 321 CA VAL A 20 -25.779 -8.510 -14.021 1.00 3.11 C ATOM 322 C VAL A 20 -26.311 -7.262 -13.325 1.00 20.44 C ATOM 323 O VAL A 20 -27.288 -6.660 -13.769 1.00 73.12 O ATOM 324 CB VAL A 20 -26.557 -9.739 -13.514 1.00 3.20 C ATOM 325 CG1 VAL A 20 -26.498 -9.819 -11.996 1.00 72.21 C ATOM 326 CG2 VAL A 20 -27.998 -9.693 -13.999 1.00 20.45 C ATOM 0 H VAL A 20 -24.085 -9.491 -13.269 1.00 51.14 H new ATOM 0 HA VAL A 20 -25.928 -8.414 -15.097 1.00 3.11 H new ATOM 0 HB VAL A 20 -26.090 -10.637 -13.919 1.00 3.20 H new ATOM 0 HG11 VAL A 20 -27.053 -10.693 -11.656 1.00 72.21 H new ATOM 0 HG12 VAL A 20 -25.459 -9.902 -11.676 1.00 72.21 H new ATOM 0 HG13 VAL A 20 -26.939 -8.920 -11.567 1.00 72.21 H new ATOM 0 HG21 VAL A 20 -28.534 -10.569 -13.632 1.00 20.45 H new ATOM 0 HG22 VAL A 20 -28.479 -8.790 -13.624 1.00 20.45 H new ATOM 0 HG23 VAL A 20 -28.015 -9.688 -15.089 1.00 20.45 H new ATOM 336 N ASP A 21 -25.661 -6.880 -12.231 1.00 15.32 N ATOM 337 CA ASP A 21 -26.068 -5.702 -11.473 1.00 31.12 C ATOM 338 C ASP A 21 -25.555 -4.427 -12.134 1.00 3.45 C ATOM 339 O ASP A 21 -26.167 -3.365 -12.018 1.00 53.23 O ATOM 340 CB ASP A 21 -25.551 -5.791 -10.036 1.00 12.40 C ATOM 341 CG ASP A 21 -26.233 -4.799 -9.113 1.00 64.15 C ATOM 342 OD1 ASP A 21 -25.984 -3.584 -9.260 1.00 52.15 O ATOM 343 OD2 ASP A 21 -27.015 -5.238 -8.245 1.00 60.31 O ATOM 0 H ASP A 21 -24.851 -7.368 -11.849 1.00 15.32 H new ATOM 0 HA ASP A 21 -27.157 -5.668 -11.457 1.00 31.12 H new ATOM 0 HB2 ASP A 21 -25.708 -6.801 -9.658 1.00 12.40 H new ATOM 0 HB3 ASP A 21 -24.476 -5.611 -10.028 1.00 12.40 H new ATOM 348 N LYS A 22 -24.426 -4.538 -12.825 1.00 42.23 N ATOM 349 CA LYS A 22 -23.829 -3.395 -13.505 1.00 43.53 C ATOM 350 C LYS A 22 -24.064 -3.473 -15.010 1.00 51.23 C ATOM 351 O LYS A 22 -23.323 -2.881 -15.796 1.00 14.12 O ATOM 352 CB LYS A 22 -22.327 -3.330 -13.216 1.00 14.11 C ATOM 353 CG LYS A 22 -21.998 -3.187 -11.740 1.00 50.20 C ATOM 354 CD LYS A 22 -20.667 -3.836 -11.400 1.00 42.23 C ATOM 355 CE LYS A 22 -20.516 -4.047 -9.902 1.00 31.24 C ATOM 356 NZ LYS A 22 -20.678 -2.776 -9.143 1.00 51.11 N ATOM 0 H LYS A 22 -23.905 -5.409 -12.929 1.00 42.23 H new ATOM 0 HA LYS A 22 -24.305 -2.491 -13.127 1.00 43.53 H new ATOM 0 HB2 LYS A 22 -21.852 -4.233 -13.600 1.00 14.11 H new ATOM 0 HB3 LYS A 22 -21.897 -2.488 -13.759 1.00 14.11 H new ATOM 0 HG2 LYS A 22 -21.967 -2.130 -11.474 1.00 50.20 H new ATOM 0 HG3 LYS A 22 -22.789 -3.643 -11.144 1.00 50.20 H new ATOM 0 HD2 LYS A 22 -20.587 -4.794 -11.913 1.00 42.23 H new ATOM 0 HD3 LYS A 22 -19.852 -3.210 -11.764 1.00 42.23 H new ATOM 0 HE2 LYS A 22 -21.256 -4.770 -9.561 1.00 31.24 H new ATOM 0 HE3 LYS A 22 -19.535 -4.472 -9.692 1.00 31.24 H new ATOM 0 HZ1 LYS A 22 -20.403 -2.926 -8.151 1.00 51.11 H new ATOM 0 HZ2 LYS A 22 -20.073 -2.042 -9.563 1.00 51.11 H new ATOM 0 HZ3 LYS A 22 -21.672 -2.471 -9.184 1.00 51.11 H new ATOM 370 N TYR A 23 -25.100 -4.205 -15.405 1.00 43.11 N ATOM 371 CA TYR A 23 -25.432 -4.361 -16.816 1.00 41.23 C ATOM 372 C TYR A 23 -25.853 -3.028 -17.427 1.00 51.13 C ATOM 373 O TYR A 23 -25.430 -2.676 -18.528 1.00 43.43 O ATOM 374 CB TYR A 23 -26.551 -5.390 -16.988 1.00 2.52 C ATOM 375 CG TYR A 23 -26.908 -5.661 -18.432 1.00 2.22 C ATOM 376 CD1 TYR A 23 -27.837 -4.872 -19.098 1.00 50.14 C ATOM 377 CD2 TYR A 23 -26.315 -6.706 -19.130 1.00 1.22 C ATOM 378 CE1 TYR A 23 -28.167 -5.117 -20.417 1.00 44.34 C ATOM 379 CE2 TYR A 23 -26.637 -6.957 -20.449 1.00 73.14 C ATOM 380 CZ TYR A 23 -27.564 -6.160 -21.089 1.00 30.24 C ATOM 381 OH TYR A 23 -27.889 -6.406 -22.403 1.00 24.50 O ATOM 0 H TYR A 23 -25.724 -4.700 -14.768 1.00 43.11 H new ATOM 0 HA TYR A 23 -24.541 -4.713 -17.336 1.00 41.23 H new ATOM 0 HB2 TYR A 23 -26.249 -6.325 -16.516 1.00 2.52 H new ATOM 0 HB3 TYR A 23 -27.439 -5.040 -16.463 1.00 2.52 H new ATOM 0 HD1 TYR A 23 -28.309 -4.053 -18.576 1.00 50.14 H new ATOM 0 HD2 TYR A 23 -25.590 -7.333 -18.632 1.00 1.22 H new ATOM 0 HE1 TYR A 23 -28.893 -4.495 -20.919 1.00 44.34 H new ATOM 0 HE2 TYR A 23 -26.166 -7.773 -20.977 1.00 73.14 H new ATOM 0 HH TYR A 23 -27.375 -7.174 -22.729 1.00 24.50 H new ATOM 391 N ARG A 24 -26.689 -2.291 -16.704 1.00 14.23 N ATOM 392 CA ARG A 24 -27.169 -0.997 -17.173 1.00 53.34 C ATOM 393 C ARG A 24 -26.259 0.129 -16.690 1.00 72.30 C ATOM 394 O ARG A 24 -26.613 1.304 -16.770 1.00 52.13 O ATOM 395 CB ARG A 24 -28.600 -0.753 -16.690 1.00 31.32 C ATOM 396 CG ARG A 24 -29.646 -1.538 -17.464 1.00 34.52 C ATOM 397 CD ARG A 24 -30.912 -1.738 -16.644 1.00 63.44 C ATOM 398 NE ARG A 24 -32.075 -1.997 -17.488 1.00 52.23 N ATOM 399 CZ ARG A 24 -33.215 -2.504 -17.033 1.00 14.21 C ATOM 400 NH1 ARG A 24 -33.345 -2.805 -15.748 1.00 44.21 N ATOM 401 NH2 ARG A 24 -34.230 -2.710 -17.863 1.00 63.32 N ATOM 0 H ARG A 24 -27.048 -2.568 -15.790 1.00 14.23 H new ATOM 0 HA ARG A 24 -27.158 -1.008 -18.263 1.00 53.34 H new ATOM 0 HB2 ARG A 24 -28.668 -1.016 -15.634 1.00 31.32 H new ATOM 0 HB3 ARG A 24 -28.825 0.311 -16.768 1.00 31.32 H new ATOM 0 HG2 ARG A 24 -29.888 -1.011 -18.387 1.00 34.52 H new ATOM 0 HG3 ARG A 24 -29.238 -2.508 -17.748 1.00 34.52 H new ATOM 0 HD2 ARG A 24 -30.770 -2.572 -15.956 1.00 63.44 H new ATOM 0 HD3 ARG A 24 -31.095 -0.851 -16.037 1.00 63.44 H new ATOM 0 HE ARG A 24 -32.008 -1.776 -18.482 1.00 52.23 H new ATOM 0 HH11 ARG A 24 -32.568 -2.647 -15.106 1.00 44.21 H new ATOM 0 HH12 ARG A 24 -34.222 -3.194 -15.402 1.00 44.21 H new ATOM 0 HH21 ARG A 24 -34.135 -2.479 -18.852 1.00 63.32 H new ATOM 0 HH22 ARG A 24 -35.105 -3.099 -17.512 1.00 63.32 H new ATOM 415 N ASN A 25 -25.086 -0.241 -16.188 1.00 4.24 N ATOM 416 CA ASN A 25 -24.125 0.737 -15.690 1.00 50.41 C ATOM 417 C ASN A 25 -22.946 0.878 -16.648 1.00 61.20 C ATOM 418 O ASN A 25 -22.468 1.983 -16.903 1.00 0.43 O ATOM 419 CB ASN A 25 -23.624 0.331 -14.303 1.00 0.12 C ATOM 420 CG ASN A 25 -24.654 0.585 -13.219 1.00 21.31 C ATOM 421 OD1 ASN A 25 -24.381 1.276 -12.237 1.00 71.23 O ATOM 422 ND2 ASN A 25 -25.845 0.024 -13.392 1.00 53.44 N ATOM 0 H ASN A 25 -24.778 -1.211 -16.115 1.00 4.24 H new ATOM 0 HA ASN A 25 -24.629 1.701 -15.619 1.00 50.41 H new ATOM 0 HB2 ASN A 25 -23.361 -0.727 -14.310 1.00 0.12 H new ATOM 0 HB3 ASN A 25 -22.714 0.884 -14.072 1.00 0.12 H new ATOM 0 HD21 ASN A 25 -26.578 0.158 -12.695 1.00 53.44 H new ATOM 0 HD22 ASN A 25 -26.027 -0.541 -14.222 1.00 53.44 H new ATOM 429 N ASP A 26 -22.482 -0.250 -17.176 1.00 14.31 N ATOM 430 CA ASP A 26 -21.360 -0.253 -18.107 1.00 72.13 C ATOM 431 C ASP A 26 -21.813 -0.676 -19.501 1.00 65.25 C ATOM 432 O ASP A 26 -22.275 -1.799 -19.700 1.00 13.05 O ATOM 433 CB ASP A 26 -20.259 -1.190 -17.609 1.00 2.23 C ATOM 434 CG ASP A 26 -19.104 -0.440 -16.975 1.00 1.22 C ATOM 435 OD1 ASP A 26 -18.425 0.323 -17.694 1.00 53.21 O ATOM 436 OD2 ASP A 26 -18.879 -0.615 -15.759 1.00 52.02 O ATOM 0 H ASP A 26 -22.866 -1.173 -16.975 1.00 14.31 H new ATOM 0 HA ASP A 26 -20.964 0.761 -18.165 1.00 72.13 H new ATOM 0 HB2 ASP A 26 -20.679 -1.886 -16.883 1.00 2.23 H new ATOM 0 HB3 ASP A 26 -19.888 -1.785 -18.443 1.00 2.23 H new ATOM 441 N GLU A 27 -21.676 0.231 -20.463 1.00 41.33 N ATOM 442 CA GLU A 27 -22.073 -0.048 -21.838 1.00 63.33 C ATOM 443 C GLU A 27 -21.326 -1.262 -22.384 1.00 30.21 C ATOM 444 O GLU A 27 -21.856 -2.016 -23.201 1.00 15.04 O ATOM 445 CB GLU A 27 -21.807 1.169 -22.727 1.00 35.13 C ATOM 446 CG GLU A 27 -20.337 1.378 -23.049 1.00 55.50 C ATOM 447 CD GLU A 27 -19.508 1.687 -21.817 1.00 73.54 C ATOM 448 OE1 GLU A 27 -19.855 2.641 -21.091 1.00 54.33 O ATOM 449 OE2 GLU A 27 -18.512 0.972 -21.580 1.00 20.22 O ATOM 0 H GLU A 27 -21.293 1.165 -20.316 1.00 41.33 H new ATOM 0 HA GLU A 27 -23.141 -0.266 -21.843 1.00 63.33 H new ATOM 0 HB2 GLU A 27 -22.362 1.056 -23.658 1.00 35.13 H new ATOM 0 HB3 GLU A 27 -22.192 2.061 -22.233 1.00 35.13 H new ATOM 0 HG2 GLU A 27 -19.944 0.483 -23.532 1.00 55.50 H new ATOM 0 HG3 GLU A 27 -20.238 2.195 -23.763 1.00 55.50 H new ATOM 456 N HIS A 28 -20.091 -1.445 -21.927 1.00 12.31 N ATOM 457 CA HIS A 28 -19.271 -2.567 -22.368 1.00 44.35 C ATOM 458 C HIS A 28 -19.800 -3.882 -21.805 1.00 73.14 C ATOM 459 O HIS A 28 -19.833 -4.898 -22.500 1.00 32.12 O ATOM 460 CB HIS A 28 -17.817 -2.363 -21.939 1.00 73.21 C ATOM 461 CG HIS A 28 -16.987 -1.645 -22.957 1.00 41.45 C ATOM 462 ND1 HIS A 28 -15.614 -1.755 -23.022 1.00 41.43 N ATOM 463 CD2 HIS A 28 -17.343 -0.804 -23.957 1.00 11.34 C ATOM 464 CE1 HIS A 28 -15.161 -1.011 -24.016 1.00 73.11 C ATOM 465 NE2 HIS A 28 -16.191 -0.424 -24.599 1.00 44.14 N ATOM 0 H HIS A 28 -19.637 -0.830 -21.252 1.00 12.31 H new ATOM 0 HA HIS A 28 -19.318 -2.614 -23.456 1.00 44.35 H new ATOM 0 HB2 HIS A 28 -17.798 -1.801 -21.005 1.00 73.21 H new ATOM 0 HB3 HIS A 28 -17.367 -3.335 -21.736 1.00 73.21 H new ATOM 0 HD2 HIS A 28 -18.347 -0.491 -24.203 1.00 11.34 H new ATOM 0 HE1 HIS A 28 -14.126 -0.902 -24.303 1.00 73.11 H new ATOM 0 HE2 HIS A 28 -16.139 0.209 -25.397 1.00 44.14 H new ATOM 474 N VAL A 29 -20.214 -3.856 -20.542 1.00 44.22 N ATOM 475 CA VAL A 29 -20.742 -5.046 -19.886 1.00 11.42 C ATOM 476 C VAL A 29 -21.954 -5.592 -20.632 1.00 30.22 C ATOM 477 O VAL A 29 -22.172 -6.803 -20.679 1.00 54.12 O ATOM 478 CB VAL A 29 -21.140 -4.752 -18.427 1.00 53.23 C ATOM 479 CG1 VAL A 29 -21.849 -5.951 -17.815 1.00 43.32 C ATOM 480 CG2 VAL A 29 -19.917 -4.370 -17.608 1.00 41.50 C ATOM 0 H VAL A 29 -20.194 -3.024 -19.953 1.00 44.22 H new ATOM 0 HA VAL A 29 -19.947 -5.792 -19.895 1.00 11.42 H new ATOM 0 HB VAL A 29 -21.831 -3.909 -18.420 1.00 53.23 H new ATOM 0 HG11 VAL A 29 -22.123 -5.725 -16.784 1.00 43.32 H new ATOM 0 HG12 VAL A 29 -22.749 -6.174 -18.389 1.00 43.32 H new ATOM 0 HG13 VAL A 29 -21.184 -6.815 -17.833 1.00 43.32 H new ATOM 0 HG21 VAL A 29 -20.217 -4.166 -16.580 1.00 41.50 H new ATOM 0 HG22 VAL A 29 -19.200 -5.191 -17.621 1.00 41.50 H new ATOM 0 HG23 VAL A 29 -19.457 -3.479 -18.035 1.00 41.50 H new ATOM 490 N ARG A 30 -22.739 -4.692 -21.214 1.00 13.21 N ATOM 491 CA ARG A 30 -23.930 -5.084 -21.958 1.00 14.34 C ATOM 492 C ARG A 30 -23.587 -6.114 -23.030 1.00 54.40 C ATOM 493 O ARG A 30 -24.179 -7.192 -23.082 1.00 62.25 O ATOM 494 CB ARG A 30 -24.582 -3.858 -22.602 1.00 25.41 C ATOM 495 CG ARG A 30 -25.244 -2.925 -21.602 1.00 52.43 C ATOM 496 CD ARG A 30 -26.564 -2.388 -22.132 1.00 55.43 C ATOM 497 NE ARG A 30 -26.602 -0.928 -22.129 1.00 53.41 N ATOM 498 CZ ARG A 30 -27.660 -0.219 -22.509 1.00 64.13 C ATOM 499 NH1 ARG A 30 -28.760 -0.833 -22.920 1.00 74.25 N ATOM 500 NH2 ARG A 30 -27.617 1.107 -22.478 1.00 73.22 N ATOM 0 H ARG A 30 -22.572 -3.686 -21.185 1.00 13.21 H new ATOM 0 HA ARG A 30 -24.633 -5.535 -21.258 1.00 14.34 H new ATOM 0 HB2 ARG A 30 -23.825 -3.304 -23.157 1.00 25.41 H new ATOM 0 HB3 ARG A 30 -25.327 -4.191 -23.324 1.00 25.41 H new ATOM 0 HG2 ARG A 30 -25.415 -3.456 -20.666 1.00 52.43 H new ATOM 0 HG3 ARG A 30 -24.575 -2.094 -21.379 1.00 52.43 H new ATOM 0 HD2 ARG A 30 -26.722 -2.753 -23.147 1.00 55.43 H new ATOM 0 HD3 ARG A 30 -27.382 -2.773 -21.524 1.00 55.43 H new ATOM 0 HE ARG A 30 -25.771 -0.425 -21.818 1.00 53.41 H new ATOM 0 HH11 ARG A 30 -28.796 -1.852 -22.945 1.00 74.25 H new ATOM 0 HH12 ARG A 30 -29.571 -0.287 -23.211 1.00 74.25 H new ATOM 0 HH21 ARG A 30 -26.772 1.583 -22.162 1.00 73.22 H new ATOM 0 HH22 ARG A 30 -28.429 1.651 -22.770 1.00 73.22 H new ATOM 514 N LYS A 31 -22.628 -5.773 -23.884 1.00 73.44 N ATOM 515 CA LYS A 31 -22.205 -6.667 -24.956 1.00 21.44 C ATOM 516 C LYS A 31 -21.471 -7.881 -24.394 1.00 3.44 C ATOM 517 O LYS A 31 -21.514 -8.967 -24.971 1.00 32.25 O ATOM 518 CB LYS A 31 -21.302 -5.923 -25.942 1.00 23.13 C ATOM 519 CG LYS A 31 -19.823 -6.035 -25.615 1.00 65.03 C ATOM 520 CD LYS A 31 -18.994 -5.070 -26.446 1.00 64.03 C ATOM 521 CE LYS A 31 -18.533 -3.878 -25.622 1.00 15.43 C ATOM 522 NZ LYS A 31 -19.313 -2.649 -25.940 1.00 61.30 N ATOM 0 H LYS A 31 -22.129 -4.884 -23.855 1.00 73.44 H new ATOM 0 HA LYS A 31 -23.096 -7.013 -25.479 1.00 21.44 H new ATOM 0 HB2 LYS A 31 -21.474 -6.313 -26.945 1.00 23.13 H new ATOM 0 HB3 LYS A 31 -21.584 -4.870 -25.957 1.00 23.13 H new ATOM 0 HG2 LYS A 31 -19.667 -5.831 -24.556 1.00 65.03 H new ATOM 0 HG3 LYS A 31 -19.486 -7.055 -25.796 1.00 65.03 H new ATOM 0 HD2 LYS A 31 -18.126 -5.590 -26.852 1.00 64.03 H new ATOM 0 HD3 LYS A 31 -19.582 -4.721 -27.295 1.00 64.03 H new ATOM 0 HE2 LYS A 31 -18.635 -4.108 -24.561 1.00 15.43 H new ATOM 0 HE3 LYS A 31 -17.475 -3.695 -25.808 1.00 15.43 H new ATOM 0 HZ1 LYS A 31 -18.672 -1.831 -25.977 1.00 61.30 H new ATOM 0 HZ2 LYS A 31 -19.781 -2.764 -26.862 1.00 61.30 H new ATOM 0 HZ3 LYS A 31 -20.031 -2.494 -25.204 1.00 61.30 H new ATOM 536 N VAL A 32 -20.798 -7.688 -23.263 1.00 63.25 N ATOM 537 CA VAL A 32 -20.056 -8.767 -22.622 1.00 74.50 C ATOM 538 C VAL A 32 -20.996 -9.863 -22.131 1.00 23.22 C ATOM 539 O VAL A 32 -20.852 -11.030 -22.498 1.00 52.50 O ATOM 540 CB VAL A 32 -19.225 -8.248 -21.434 1.00 20.41 C ATOM 541 CG1 VAL A 32 -18.533 -9.401 -20.722 1.00 44.15 C ATOM 542 CG2 VAL A 32 -18.212 -7.215 -21.904 1.00 20.41 C ATOM 0 H VAL A 32 -20.752 -6.795 -22.773 1.00 63.25 H new ATOM 0 HA VAL A 32 -19.383 -9.179 -23.374 1.00 74.50 H new ATOM 0 HB VAL A 32 -19.898 -7.766 -20.725 1.00 20.41 H new ATOM 0 HG11 VAL A 32 -17.951 -9.015 -19.885 1.00 44.15 H new ATOM 0 HG12 VAL A 32 -19.281 -10.101 -20.351 1.00 44.15 H new ATOM 0 HG13 VAL A 32 -17.871 -9.914 -21.419 1.00 44.15 H new ATOM 0 HG21 VAL A 32 -17.633 -6.859 -21.052 1.00 20.41 H new ATOM 0 HG22 VAL A 32 -17.541 -7.669 -22.634 1.00 20.41 H new ATOM 0 HG23 VAL A 32 -18.734 -6.376 -22.364 1.00 20.41 H new ATOM 552 N PHE A 33 -21.958 -9.480 -21.298 1.00 71.42 N ATOM 553 CA PHE A 33 -22.922 -10.431 -20.755 1.00 50.44 C ATOM 554 C PHE A 33 -23.847 -10.953 -21.851 1.00 64.20 C ATOM 555 O PHE A 33 -24.372 -12.063 -21.758 1.00 2.21 O ATOM 556 CB PHE A 33 -23.747 -9.775 -19.646 1.00 70.00 C ATOM 557 CG PHE A 33 -23.895 -10.633 -18.422 1.00 5.10 C ATOM 558 CD1 PHE A 33 -22.799 -10.918 -17.624 1.00 23.15 C ATOM 559 CD2 PHE A 33 -25.129 -11.155 -18.070 1.00 50.42 C ATOM 560 CE1 PHE A 33 -22.931 -11.707 -16.496 1.00 50.12 C ATOM 561 CE2 PHE A 33 -25.267 -11.944 -16.944 1.00 15.40 C ATOM 562 CZ PHE A 33 -24.167 -12.221 -16.157 1.00 30.23 C ATOM 0 H PHE A 33 -22.091 -8.519 -20.984 1.00 71.42 H new ATOM 0 HA PHE A 33 -22.370 -11.273 -20.338 1.00 50.44 H new ATOM 0 HB2 PHE A 33 -23.278 -8.832 -19.365 1.00 70.00 H new ATOM 0 HB3 PHE A 33 -24.737 -9.535 -20.034 1.00 70.00 H new ATOM 0 HD1 PHE A 33 -21.830 -10.519 -17.886 1.00 23.15 H new ATOM 0 HD2 PHE A 33 -25.993 -10.943 -18.683 1.00 50.42 H new ATOM 0 HE1 PHE A 33 -22.069 -11.921 -15.881 1.00 50.12 H new ATOM 0 HE2 PHE A 33 -26.235 -12.344 -16.680 1.00 15.40 H new ATOM 0 HZ PHE A 33 -24.273 -12.839 -15.278 1.00 30.23 H new ATOM 572 N ASP A 34 -24.041 -10.146 -22.888 1.00 1.43 N ATOM 573 CA ASP A 34 -24.901 -10.526 -24.002 1.00 54.51 C ATOM 574 C ASP A 34 -24.331 -11.731 -24.743 1.00 31.24 C ATOM 575 O ASP A 34 -25.044 -12.696 -25.018 1.00 4.30 O ATOM 576 CB ASP A 34 -25.070 -9.351 -24.968 1.00 22.35 C ATOM 577 CG ASP A 34 -25.984 -9.684 -26.130 1.00 34.01 C ATOM 578 OD1 ASP A 34 -25.505 -10.301 -27.104 1.00 21.02 O ATOM 579 OD2 ASP A 34 -27.180 -9.327 -26.066 1.00 44.32 O ATOM 0 H ASP A 34 -23.614 -9.224 -22.980 1.00 1.43 H new ATOM 0 HA ASP A 34 -25.876 -10.798 -23.599 1.00 54.51 H new ATOM 0 HB2 ASP A 34 -25.472 -8.495 -24.427 1.00 22.35 H new ATOM 0 HB3 ASP A 34 -24.093 -9.056 -25.351 1.00 22.35 H new ATOM 584 N GLU A 35 -23.042 -11.668 -25.063 1.00 13.54 N ATOM 585 CA GLU A 35 -22.378 -12.754 -25.773 1.00 42.30 C ATOM 586 C GLU A 35 -22.285 -14.000 -24.897 1.00 72.15 C ATOM 587 O GLU A 35 -22.555 -15.112 -25.352 1.00 65.34 O ATOM 588 CB GLU A 35 -20.978 -12.323 -26.215 1.00 42.51 C ATOM 589 CG GLU A 35 -20.983 -11.296 -27.335 1.00 45.13 C ATOM 590 CD GLU A 35 -21.115 -11.929 -28.707 1.00 32.44 C ATOM 591 OE1 GLU A 35 -21.581 -13.085 -28.784 1.00 73.23 O ATOM 592 OE2 GLU A 35 -20.753 -11.268 -29.702 1.00 63.33 O ATOM 0 H GLU A 35 -22.438 -10.877 -24.842 1.00 13.54 H new ATOM 0 HA GLU A 35 -22.972 -12.994 -26.655 1.00 42.30 H new ATOM 0 HB2 GLU A 35 -20.446 -11.911 -25.358 1.00 42.51 H new ATOM 0 HB3 GLU A 35 -20.423 -13.202 -26.542 1.00 42.51 H new ATOM 0 HG2 GLU A 35 -21.807 -10.599 -27.180 1.00 45.13 H new ATOM 0 HG3 GLU A 35 -20.062 -10.715 -27.294 1.00 45.13 H new ATOM 599 N ILE A 36 -21.902 -13.806 -23.640 1.00 51.52 N ATOM 600 CA ILE A 36 -21.774 -14.913 -22.701 1.00 14.10 C ATOM 601 C ILE A 36 -23.127 -15.564 -22.431 1.00 42.14 C ATOM 602 O ILE A 36 -23.234 -16.788 -22.365 1.00 14.00 O ATOM 603 CB ILE A 36 -21.165 -14.450 -21.365 1.00 24.14 C ATOM 604 CG1 ILE A 36 -19.789 -13.823 -21.597 1.00 5.30 C ATOM 605 CG2 ILE A 36 -21.063 -15.619 -20.396 1.00 12.32 C ATOM 606 CD1 ILE A 36 -19.254 -13.077 -20.395 1.00 4.05 C ATOM 0 H ILE A 36 -21.675 -12.892 -23.248 1.00 51.52 H new ATOM 0 HA ILE A 36 -21.108 -15.642 -23.162 1.00 14.10 H new ATOM 0 HB ILE A 36 -21.819 -13.696 -20.927 1.00 24.14 H new ATOM 0 HG12 ILE A 36 -19.083 -14.607 -21.871 1.00 5.30 H new ATOM 0 HG13 ILE A 36 -19.849 -13.138 -22.443 1.00 5.30 H new ATOM 0 HG21 ILE A 36 -20.631 -15.276 -19.456 1.00 12.32 H new ATOM 0 HG22 ILE A 36 -22.057 -16.026 -20.211 1.00 12.32 H new ATOM 0 HG23 ILE A 36 -20.428 -16.394 -20.826 1.00 12.32 H new ATOM 0 HD11 ILE A 36 -18.276 -12.659 -20.632 1.00 4.05 H new ATOM 0 HD12 ILE A 36 -19.939 -12.271 -20.133 1.00 4.05 H new ATOM 0 HD13 ILE A 36 -19.161 -13.763 -19.553 1.00 4.05 H new ATOM 618 N GLN A 37 -24.156 -14.737 -22.279 1.00 3.52 N ATOM 619 CA GLN A 37 -25.502 -15.232 -22.018 1.00 22.42 C ATOM 620 C GLN A 37 -25.988 -16.115 -23.163 1.00 15.34 C ATOM 621 O GLN A 37 -26.663 -17.119 -22.940 1.00 35.31 O ATOM 622 CB GLN A 37 -26.468 -14.064 -21.812 1.00 64.14 C ATOM 623 CG GLN A 37 -26.478 -13.526 -20.391 1.00 33.34 C ATOM 624 CD GLN A 37 -27.387 -12.324 -20.228 1.00 74.02 C ATOM 625 OE1 GLN A 37 -28.236 -12.289 -19.337 1.00 13.10 O ATOM 626 NE2 GLN A 37 -27.214 -11.330 -21.091 1.00 50.41 N ATOM 0 H GLN A 37 -24.083 -13.721 -22.332 1.00 3.52 H new ATOM 0 HA GLN A 37 -25.471 -15.832 -21.108 1.00 22.42 H new ATOM 0 HB2 GLN A 37 -26.201 -13.258 -22.495 1.00 64.14 H new ATOM 0 HB3 GLN A 37 -27.475 -14.385 -22.077 1.00 64.14 H new ATOM 0 HG2 GLN A 37 -26.799 -14.314 -19.710 1.00 33.34 H new ATOM 0 HG3 GLN A 37 -25.463 -13.251 -20.104 1.00 33.34 H new ATOM 0 HE21 GLN A 37 -26.498 -11.401 -21.814 1.00 50.41 H new ATOM 0 HE22 GLN A 37 -27.797 -10.495 -21.031 1.00 50.41 H new ATOM 635 N GLN A 38 -25.641 -15.732 -24.387 1.00 54.41 N ATOM 636 CA GLN A 38 -26.044 -16.488 -25.567 1.00 35.14 C ATOM 637 C GLN A 38 -25.165 -17.721 -25.750 1.00 11.44 C ATOM 638 O GLN A 38 -25.663 -18.842 -25.856 1.00 2.34 O ATOM 639 CB GLN A 38 -25.972 -15.606 -26.814 1.00 0.51 C ATOM 640 CG GLN A 38 -26.871 -14.381 -26.746 1.00 61.51 C ATOM 641 CD GLN A 38 -28.231 -14.621 -27.372 1.00 1.25 C ATOM 642 OE1 GLN A 38 -28.557 -14.050 -28.413 1.00 32.51 O ATOM 643 NE2 GLN A 38 -29.033 -15.468 -26.738 1.00 32.30 N ATOM 0 H GLN A 38 -25.082 -14.903 -24.588 1.00 54.41 H new ATOM 0 HA GLN A 38 -27.073 -16.816 -25.423 1.00 35.14 H new ATOM 0 HB2 GLN A 38 -24.942 -15.282 -26.961 1.00 0.51 H new ATOM 0 HB3 GLN A 38 -26.247 -16.200 -27.685 1.00 0.51 H new ATOM 0 HG2 GLN A 38 -27.001 -14.088 -25.704 1.00 61.51 H new ATOM 0 HG3 GLN A 38 -26.383 -13.548 -27.253 1.00 61.51 H new ATOM 0 HE21 GLN A 38 -28.721 -15.919 -25.878 1.00 32.30 H new ATOM 0 HE22 GLN A 38 -29.961 -15.668 -27.111 1.00 32.30 H new ATOM 652 N LYS A 39 -23.854 -17.506 -25.786 1.00 53.13 N ATOM 653 CA LYS A 39 -22.904 -18.599 -25.956 1.00 1.44 C ATOM 654 C LYS A 39 -23.125 -19.680 -24.903 1.00 10.03 C ATOM 655 O LYS A 39 -22.900 -20.864 -25.157 1.00 74.05 O ATOM 656 CB LYS A 39 -21.470 -18.072 -25.868 1.00 65.52 C ATOM 657 CG LYS A 39 -20.933 -18.003 -24.449 1.00 43.31 C ATOM 658 CD LYS A 39 -19.563 -17.346 -24.403 1.00 31.14 C ATOM 659 CE LYS A 39 -18.907 -17.521 -23.041 1.00 52.35 C ATOM 660 NZ LYS A 39 -17.552 -18.129 -23.153 1.00 14.34 N ATOM 0 H LYS A 39 -23.425 -16.584 -25.700 1.00 53.13 H new ATOM 0 HA LYS A 39 -23.064 -19.038 -26.941 1.00 1.44 H new ATOM 0 HB2 LYS A 39 -20.819 -18.713 -26.463 1.00 65.52 H new ATOM 0 HB3 LYS A 39 -21.430 -17.077 -26.312 1.00 65.52 H new ATOM 0 HG2 LYS A 39 -21.627 -17.443 -23.823 1.00 43.31 H new ATOM 0 HG3 LYS A 39 -20.869 -19.009 -24.034 1.00 43.31 H new ATOM 0 HD2 LYS A 39 -18.925 -17.778 -25.174 1.00 31.14 H new ATOM 0 HD3 LYS A 39 -19.660 -16.284 -24.628 1.00 31.14 H new ATOM 0 HE2 LYS A 39 -18.831 -16.552 -22.547 1.00 52.35 H new ATOM 0 HE3 LYS A 39 -19.537 -18.151 -22.412 1.00 52.35 H new ATOM 0 HZ1 LYS A 39 -17.138 -18.232 -22.204 1.00 14.34 H new ATOM 0 HZ2 LYS A 39 -17.627 -19.064 -23.601 1.00 14.34 H new ATOM 0 HZ3 LYS A 39 -16.943 -17.516 -23.732 1.00 14.34 H new ATOM 674 N LEU A 40 -23.567 -19.266 -23.720 1.00 75.45 N ATOM 675 CA LEU A 40 -23.821 -20.200 -22.629 1.00 22.42 C ATOM 676 C LEU A 40 -25.309 -20.514 -22.515 1.00 12.02 C ATOM 677 O LEU A 40 -25.707 -21.436 -21.802 1.00 14.32 O ATOM 678 CB LEU A 40 -23.307 -19.624 -21.308 1.00 42.15 C ATOM 679 CG LEU A 40 -22.560 -20.598 -20.396 1.00 52.23 C ATOM 680 CD1 LEU A 40 -21.364 -21.197 -21.120 1.00 12.21 C ATOM 681 CD2 LEU A 40 -22.118 -19.899 -19.119 1.00 22.33 C ATOM 0 H LEU A 40 -23.757 -18.290 -23.492 1.00 75.45 H new ATOM 0 HA LEU A 40 -23.289 -21.126 -22.846 1.00 22.42 H new ATOM 0 HB2 LEU A 40 -22.645 -18.788 -21.533 1.00 42.15 H new ATOM 0 HB3 LEU A 40 -24.156 -19.220 -20.756 1.00 42.15 H new ATOM 0 HG LEU A 40 -23.238 -21.408 -20.127 1.00 52.23 H new ATOM 0 HD11 LEU A 40 -20.845 -21.887 -20.455 1.00 12.21 H new ATOM 0 HD12 LEU A 40 -21.706 -21.733 -22.005 1.00 12.21 H new ATOM 0 HD13 LEU A 40 -20.683 -20.400 -21.419 1.00 12.21 H new ATOM 0 HD21 LEU A 40 -21.588 -20.607 -18.482 1.00 22.33 H new ATOM 0 HD22 LEU A 40 -21.456 -19.069 -19.369 1.00 22.33 H new ATOM 0 HD23 LEU A 40 -22.993 -19.519 -18.591 1.00 22.33 H new ATOM 693 N HIS A 41 -26.127 -19.743 -23.224 1.00 13.53 N ATOM 694 CA HIS A 41 -27.572 -19.940 -23.204 1.00 53.13 C ATOM 695 C HIS A 41 -28.133 -19.713 -21.804 1.00 21.24 C ATOM 696 O HIS A 41 -29.162 -20.280 -21.436 1.00 75.12 O ATOM 697 CB HIS A 41 -27.922 -21.349 -23.685 1.00 14.44 C ATOM 698 CG HIS A 41 -27.290 -21.710 -24.993 1.00 42.23 C ATOM 699 ND1 HIS A 41 -28.008 -21.858 -26.161 1.00 32.11 N ATOM 700 CD2 HIS A 41 -25.997 -21.951 -25.315 1.00 54.22 C ATOM 701 CE1 HIS A 41 -27.185 -22.177 -27.144 1.00 53.40 C ATOM 702 NE2 HIS A 41 -25.959 -22.239 -26.657 1.00 40.34 N ATOM 0 H HIS A 41 -25.814 -18.976 -23.819 1.00 13.53 H new ATOM 0 HA HIS A 41 -28.022 -19.211 -23.878 1.00 53.13 H new ATOM 0 HB2 HIS A 41 -27.610 -22.070 -22.929 1.00 14.44 H new ATOM 0 HB3 HIS A 41 -29.005 -21.433 -23.779 1.00 14.44 H new ATOM 0 HD2 HIS A 41 -25.153 -21.922 -24.642 1.00 54.22 H new ATOM 0 HE1 HIS A 41 -27.467 -22.357 -28.171 1.00 53.40 H new ATOM 0 HE2 HIS A 41 -25.120 -22.464 -27.191 1.00 40.34 H new ATOM 711 N CYS A 42 -27.449 -18.882 -21.025 1.00 44.31 N ATOM 712 CA CYS A 42 -27.877 -18.581 -19.664 1.00 45.44 C ATOM 713 C CYS A 42 -28.416 -17.156 -19.566 1.00 62.44 C ATOM 714 O CYS A 42 -28.152 -16.320 -20.431 1.00 12.13 O ATOM 715 CB CYS A 42 -26.713 -18.765 -18.689 1.00 25.12 C ATOM 716 SG CYS A 42 -25.356 -17.571 -18.915 1.00 41.43 S ATOM 0 H CYS A 42 -26.595 -18.405 -21.313 1.00 44.31 H new ATOM 0 HA CYS A 42 -28.677 -19.273 -19.400 1.00 45.44 H new ATOM 0 HB2 CYS A 42 -27.090 -18.681 -17.670 1.00 25.12 H new ATOM 0 HB3 CYS A 42 -26.317 -19.774 -18.800 1.00 25.12 H new ATOM 721 N CYS A 43 -29.172 -16.888 -18.507 1.00 52.24 N ATOM 722 CA CYS A 43 -29.749 -15.566 -18.295 1.00 34.02 C ATOM 723 C CYS A 43 -29.340 -15.006 -16.936 1.00 4.31 C ATOM 724 O CYS A 43 -29.290 -15.730 -15.943 1.00 71.40 O ATOM 725 CB CYS A 43 -31.275 -15.631 -18.393 1.00 41.10 C ATOM 726 SG CYS A 43 -32.098 -14.011 -18.261 1.00 60.12 S ATOM 0 H CYS A 43 -29.399 -17.569 -17.782 1.00 52.24 H new ATOM 0 HA CYS A 43 -29.369 -14.902 -19.072 1.00 34.02 H new ATOM 0 HB2 CYS A 43 -31.548 -16.089 -19.344 1.00 41.10 H new ATOM 0 HB3 CYS A 43 -31.652 -16.283 -17.605 1.00 41.10 H new ATOM 731 N GLY A 44 -29.047 -13.709 -16.900 1.00 63.13 N ATOM 732 CA GLY A 44 -28.645 -13.073 -15.659 1.00 72.12 C ATOM 733 C GLY A 44 -27.453 -13.755 -15.018 1.00 11.15 C ATOM 734 O GLY A 44 -26.931 -14.735 -15.548 1.00 4.24 O ATOM 0 H GLY A 44 -29.081 -13.088 -17.708 1.00 63.13 H new ATOM 0 HA2 GLY A 44 -28.402 -12.028 -15.852 1.00 72.12 H new ATOM 0 HA3 GLY A 44 -29.483 -13.082 -14.962 1.00 72.12 H new ATOM 738 N ALA A 45 -27.021 -13.234 -13.874 1.00 22.44 N ATOM 739 CA ALA A 45 -25.883 -13.800 -13.159 1.00 11.40 C ATOM 740 C ALA A 45 -26.261 -15.107 -12.471 1.00 13.22 C ATOM 741 O ALA A 45 -25.806 -16.181 -12.865 1.00 15.15 O ATOM 742 CB ALA A 45 -25.349 -12.801 -12.143 1.00 33.04 C ATOM 0 H ALA A 45 -27.441 -12.422 -13.423 1.00 22.44 H new ATOM 0 HA ALA A 45 -25.100 -14.017 -13.886 1.00 11.40 H new ATOM 0 HB1 ALA A 45 -24.500 -13.236 -11.616 1.00 33.04 H new ATOM 0 HB2 ALA A 45 -25.031 -11.894 -12.657 1.00 33.04 H new ATOM 0 HB3 ALA A 45 -26.133 -12.556 -11.427 1.00 33.04 H new ATOM 748 N ASP A 46 -27.095 -15.008 -11.441 1.00 71.13 N ATOM 749 CA ASP A 46 -27.535 -16.183 -10.698 1.00 62.32 C ATOM 750 C ASP A 46 -28.985 -16.522 -11.027 1.00 34.45 C ATOM 751 O ASP A 46 -29.516 -17.533 -10.566 1.00 74.24 O ATOM 752 CB ASP A 46 -27.380 -15.950 -9.195 1.00 14.54 C ATOM 753 CG ASP A 46 -27.058 -17.225 -8.440 1.00 54.45 C ATOM 754 OD1 ASP A 46 -26.428 -18.124 -9.036 1.00 54.32 O ATOM 755 OD2 ASP A 46 -27.435 -17.323 -7.254 1.00 74.23 O ATOM 0 H ASP A 46 -27.480 -14.126 -11.102 1.00 71.13 H new ATOM 0 HA ASP A 46 -26.909 -17.025 -10.993 1.00 62.32 H new ATOM 0 HB2 ASP A 46 -26.589 -15.220 -9.023 1.00 14.54 H new ATOM 0 HB3 ASP A 46 -28.301 -15.520 -8.800 1.00 14.54 H new ATOM 760 N SER A 47 -29.621 -15.670 -11.824 1.00 72.21 N ATOM 761 CA SER A 47 -31.012 -15.877 -12.210 1.00 51.21 C ATOM 762 C SER A 47 -31.491 -14.760 -13.133 1.00 35.22 C ATOM 763 O SER A 47 -30.904 -13.680 -13.199 1.00 74.13 O ATOM 764 CB SER A 47 -31.903 -15.946 -10.968 1.00 52.45 C ATOM 765 OG SER A 47 -32.143 -17.289 -10.587 1.00 22.14 O ATOM 0 H SER A 47 -29.195 -14.830 -12.215 1.00 72.21 H new ATOM 0 HA SER A 47 -31.078 -16.823 -12.748 1.00 51.21 H new ATOM 0 HB2 SER A 47 -31.428 -15.411 -10.146 1.00 52.45 H new ATOM 0 HB3 SER A 47 -32.851 -15.447 -11.168 1.00 52.45 H new ATOM 0 HG SER A 47 -31.288 -17.755 -10.474 1.00 22.14 H new ATOM 771 N PRO A 48 -32.585 -15.026 -13.863 1.00 10.43 N ATOM 772 CA PRO A 48 -33.169 -14.057 -14.795 1.00 1.52 C ATOM 773 C PRO A 48 -33.815 -12.877 -14.076 1.00 34.54 C ATOM 774 O PRO A 48 -33.856 -11.764 -14.599 1.00 53.13 O ATOM 775 CB PRO A 48 -34.227 -14.874 -15.540 1.00 33.04 C ATOM 776 CG PRO A 48 -34.590 -15.971 -14.599 1.00 11.32 C ATOM 777 CD PRO A 48 -33.336 -16.292 -13.834 1.00 0.11 C ATOM 0 HA PRO A 48 -32.416 -13.614 -15.447 1.00 1.52 H new ATOM 0 HB2 PRO A 48 -35.095 -14.264 -15.790 1.00 33.04 H new ATOM 0 HB3 PRO A 48 -33.835 -15.270 -16.477 1.00 33.04 H new ATOM 0 HG2 PRO A 48 -35.389 -15.659 -13.926 1.00 11.32 H new ATOM 0 HG3 PRO A 48 -34.952 -16.845 -15.140 1.00 11.32 H new ATOM 0 HD2 PRO A 48 -33.557 -16.605 -12.813 1.00 0.11 H new ATOM 0 HD3 PRO A 48 -32.776 -17.102 -14.302 1.00 0.11 H new ATOM 785 N LYS A 49 -34.319 -13.129 -12.872 1.00 55.32 N ATOM 786 CA LYS A 49 -34.963 -12.088 -12.079 1.00 41.12 C ATOM 787 C LYS A 49 -33.975 -10.979 -11.733 1.00 3.31 C ATOM 788 O LYS A 49 -34.372 -9.877 -11.354 1.00 41.42 O ATOM 789 CB LYS A 49 -35.547 -12.684 -10.796 1.00 54.54 C ATOM 790 CG LYS A 49 -34.499 -13.032 -9.755 1.00 4.15 C ATOM 791 CD LYS A 49 -34.345 -11.924 -8.726 1.00 21.11 C ATOM 792 CE LYS A 49 -35.259 -12.143 -7.530 1.00 70.21 C ATOM 793 NZ LYS A 49 -34.625 -13.011 -6.499 1.00 75.33 N ATOM 0 H LYS A 49 -34.294 -14.045 -12.424 1.00 55.32 H new ATOM 0 HA LYS A 49 -35.770 -11.659 -12.673 1.00 41.12 H new ATOM 0 HB2 LYS A 49 -36.254 -11.975 -10.365 1.00 54.54 H new ATOM 0 HB3 LYS A 49 -36.110 -13.583 -11.047 1.00 54.54 H new ATOM 0 HG2 LYS A 49 -34.777 -13.959 -9.254 1.00 4.15 H new ATOM 0 HG3 LYS A 49 -33.542 -13.209 -10.246 1.00 4.15 H new ATOM 0 HD2 LYS A 49 -33.309 -11.879 -8.390 1.00 21.11 H new ATOM 0 HD3 LYS A 49 -34.572 -10.963 -9.188 1.00 21.11 H new ATOM 0 HE2 LYS A 49 -35.514 -11.180 -7.087 1.00 70.21 H new ATOM 0 HE3 LYS A 49 -36.192 -12.598 -7.864 1.00 70.21 H new ATOM 0 HZ1 LYS A 49 -35.279 -13.136 -5.700 1.00 75.33 H new ATOM 0 HZ2 LYS A 49 -34.404 -13.939 -6.914 1.00 75.33 H new ATOM 0 HZ3 LYS A 49 -33.748 -12.565 -6.161 1.00 75.33 H new ATOM 807 N ASP A 50 -32.687 -11.277 -11.866 1.00 52.14 N ATOM 808 CA ASP A 50 -31.642 -10.304 -11.570 1.00 12.20 C ATOM 809 C ASP A 50 -31.838 -9.030 -12.387 1.00 32.24 C ATOM 810 O ASP A 50 -31.380 -7.955 -11.999 1.00 20.33 O ATOM 811 CB ASP A 50 -30.264 -10.901 -11.856 1.00 45.12 C ATOM 812 CG ASP A 50 -29.815 -11.866 -10.777 1.00 33.43 C ATOM 813 OD1 ASP A 50 -29.917 -11.511 -9.584 1.00 73.21 O ATOM 814 OD2 ASP A 50 -29.362 -12.977 -11.125 1.00 3.04 O ATOM 0 H ASP A 50 -32.342 -12.185 -12.177 1.00 52.14 H new ATOM 0 HA ASP A 50 -31.706 -10.049 -10.512 1.00 12.20 H new ATOM 0 HB2 ASP A 50 -30.288 -11.419 -12.815 1.00 45.12 H new ATOM 0 HB3 ASP A 50 -29.534 -10.096 -11.946 1.00 45.12 H new ATOM 819 N TYR A 51 -32.521 -9.159 -13.519 1.00 25.00 N ATOM 820 CA TYR A 51 -32.774 -8.019 -14.392 1.00 71.34 C ATOM 821 C TYR A 51 -34.096 -7.345 -14.039 1.00 33.43 C ATOM 822 O TYR A 51 -34.300 -6.165 -14.320 1.00 64.22 O ATOM 823 CB TYR A 51 -32.791 -8.465 -15.855 1.00 74.25 C ATOM 824 CG TYR A 51 -31.416 -8.741 -16.421 1.00 14.41 C ATOM 825 CD1 TYR A 51 -30.451 -7.743 -16.470 1.00 10.31 C ATOM 826 CD2 TYR A 51 -31.083 -9.999 -16.905 1.00 65.43 C ATOM 827 CE1 TYR A 51 -29.194 -7.990 -16.986 1.00 41.24 C ATOM 828 CE2 TYR A 51 -29.827 -10.256 -17.422 1.00 73.03 C ATOM 829 CZ TYR A 51 -28.887 -9.248 -17.461 1.00 42.11 C ATOM 830 OH TYR A 51 -27.635 -9.498 -17.975 1.00 71.51 O ATOM 0 H TYR A 51 -32.909 -10.041 -13.853 1.00 25.00 H new ATOM 0 HA TYR A 51 -31.970 -7.298 -14.248 1.00 71.34 H new ATOM 0 HB2 TYR A 51 -33.399 -9.365 -15.944 1.00 74.25 H new ATOM 0 HB3 TYR A 51 -33.274 -7.694 -16.455 1.00 74.25 H new ATOM 0 HD1 TYR A 51 -30.688 -6.757 -16.098 1.00 10.31 H new ATOM 0 HD2 TYR A 51 -31.818 -10.790 -16.877 1.00 65.43 H new ATOM 0 HE1 TYR A 51 -28.456 -7.203 -17.017 1.00 41.24 H new ATOM 0 HE2 TYR A 51 -29.583 -11.241 -17.793 1.00 73.03 H new ATOM 0 HH TYR A 51 -27.249 -8.665 -18.317 1.00 71.51 H new ATOM 840 N GLY A 52 -34.993 -8.106 -13.418 1.00 53.10 N ATOM 841 CA GLY A 52 -36.285 -7.567 -13.035 1.00 1.43 C ATOM 842 C GLY A 52 -37.432 -8.236 -13.765 1.00 15.14 C ATOM 843 O GLY A 52 -37.840 -9.342 -13.411 1.00 11.43 O ATOM 0 H GLY A 52 -34.848 -9.086 -13.174 1.00 53.10 H new ATOM 0 HA2 GLY A 52 -36.422 -7.689 -11.961 1.00 1.43 H new ATOM 0 HA3 GLY A 52 -36.304 -6.496 -13.239 1.00 1.43 H new ATOM 847 N GLU A 53 -37.955 -7.563 -14.785 1.00 74.42 N ATOM 848 CA GLU A 53 -39.065 -8.100 -15.565 1.00 21.15 C ATOM 849 C GLU A 53 -38.880 -7.803 -17.050 1.00 32.21 C ATOM 850 O GLU A 53 -39.834 -7.846 -17.825 1.00 53.33 O ATOM 851 CB GLU A 53 -40.391 -7.513 -15.077 1.00 1.32 C ATOM 852 CG GLU A 53 -40.595 -6.060 -15.472 1.00 2.35 C ATOM 853 CD GLU A 53 -41.397 -5.283 -14.445 1.00 70.43 C ATOM 854 OE1 GLU A 53 -41.160 -5.479 -13.235 1.00 13.30 O ATOM 855 OE2 GLU A 53 -42.262 -4.480 -14.853 1.00 62.04 O ATOM 0 H GLU A 53 -37.629 -6.646 -15.091 1.00 74.42 H new ATOM 0 HA GLU A 53 -39.083 -9.181 -15.428 1.00 21.15 H new ATOM 0 HB2 GLU A 53 -41.212 -8.108 -15.477 1.00 1.32 H new ATOM 0 HB3 GLU A 53 -40.438 -7.596 -13.991 1.00 1.32 H new ATOM 0 HG2 GLU A 53 -39.624 -5.584 -15.605 1.00 2.35 H new ATOM 0 HG3 GLU A 53 -41.105 -6.017 -16.434 1.00 2.35 H new ATOM 862 N ASN A 54 -37.645 -7.502 -17.438 1.00 53.01 N ATOM 863 CA ASN A 54 -37.335 -7.197 -18.830 1.00 4.41 C ATOM 864 C ASN A 54 -35.853 -7.421 -19.119 1.00 35.44 C ATOM 865 O ASN A 54 -35.074 -6.480 -19.262 1.00 44.44 O ATOM 866 CB ASN A 54 -37.715 -5.750 -19.154 1.00 31.53 C ATOM 867 CG ASN A 54 -39.210 -5.573 -19.339 1.00 22.43 C ATOM 868 OD1 ASN A 54 -39.762 -5.917 -20.384 1.00 31.11 O ATOM 869 ND2 ASN A 54 -39.872 -5.034 -18.322 1.00 20.44 N ATOM 0 H ASN A 54 -36.843 -7.463 -16.809 1.00 53.01 H new ATOM 0 HA ASN A 54 -37.917 -7.869 -19.461 1.00 4.41 H new ATOM 0 HB2 ASN A 54 -37.371 -5.098 -18.351 1.00 31.53 H new ATOM 0 HB3 ASN A 54 -37.200 -5.436 -20.062 1.00 31.53 H new ATOM 0 HD21 ASN A 54 -40.880 -4.890 -18.388 1.00 20.44 H new ATOM 0 HD22 ASN A 54 -39.373 -4.764 -17.474 1.00 20.44 H new ATOM 876 N PRO A 55 -35.455 -8.699 -19.206 1.00 71.24 N ATOM 877 CA PRO A 55 -34.066 -9.078 -19.480 1.00 24.11 C ATOM 878 C PRO A 55 -33.644 -8.746 -20.907 1.00 75.24 C ATOM 879 O PRO A 55 -34.469 -8.432 -21.766 1.00 62.34 O ATOM 880 CB PRO A 55 -34.061 -10.593 -19.260 1.00 11.14 C ATOM 881 CG PRO A 55 -35.468 -11.016 -19.505 1.00 53.44 C ATOM 882 CD PRO A 55 -36.330 -9.872 -19.046 1.00 74.41 C ATOM 0 HA PRO A 55 -33.364 -8.539 -18.844 1.00 24.11 H new ATOM 0 HB2 PRO A 55 -33.373 -11.090 -19.944 1.00 11.14 H new ATOM 0 HB3 PRO A 55 -33.742 -10.845 -18.249 1.00 11.14 H new ATOM 0 HG2 PRO A 55 -35.633 -11.230 -20.561 1.00 53.44 H new ATOM 0 HG3 PRO A 55 -35.703 -11.927 -18.955 1.00 53.44 H new ATOM 0 HD2 PRO A 55 -37.234 -9.784 -19.648 1.00 74.41 H new ATOM 0 HD3 PRO A 55 -36.647 -9.998 -18.011 1.00 74.41 H new ATOM 890 N PRO A 56 -32.331 -8.817 -21.169 1.00 41.23 N ATOM 891 CA PRO A 56 -31.771 -8.528 -22.493 1.00 20.20 C ATOM 892 C PRO A 56 -32.133 -9.595 -23.521 1.00 21.04 C ATOM 893 O PRO A 56 -32.496 -10.717 -23.166 1.00 12.15 O ATOM 894 CB PRO A 56 -30.261 -8.516 -22.244 1.00 43.22 C ATOM 895 CG PRO A 56 -30.067 -9.378 -21.045 1.00 72.51 C ATOM 896 CD PRO A 56 -31.291 -9.184 -20.193 1.00 72.45 C ATOM 0 HA PRO A 56 -32.157 -7.595 -22.904 1.00 20.20 H new ATOM 0 HB2 PRO A 56 -29.715 -8.905 -23.104 1.00 43.22 H new ATOM 0 HB3 PRO A 56 -29.897 -7.504 -22.067 1.00 43.22 H new ATOM 0 HG2 PRO A 56 -29.952 -10.424 -21.331 1.00 72.51 H new ATOM 0 HG3 PRO A 56 -29.165 -9.095 -20.503 1.00 72.51 H new ATOM 0 HD2 PRO A 56 -31.551 -10.093 -19.651 1.00 72.45 H new ATOM 0 HD3 PRO A 56 -31.143 -8.401 -19.450 1.00 72.45 H new ATOM 904 N THR A 57 -32.031 -9.239 -24.798 1.00 30.05 N ATOM 905 CA THR A 57 -32.348 -10.165 -25.877 1.00 32.51 C ATOM 906 C THR A 57 -31.476 -11.414 -25.804 1.00 54.20 C ATOM 907 O THR A 57 -31.820 -12.456 -26.361 1.00 73.13 O ATOM 908 CB THR A 57 -32.165 -9.505 -27.256 1.00 41.13 C ATOM 909 OG1 THR A 57 -32.520 -10.428 -28.292 1.00 43.53 O ATOM 910 CG2 THR A 57 -30.728 -9.046 -27.450 1.00 4.34 C ATOM 0 H THR A 57 -31.731 -8.315 -25.110 1.00 30.05 H new ATOM 0 HA THR A 57 -33.394 -10.447 -25.754 1.00 32.51 H new ATOM 0 HB THR A 57 -32.818 -8.634 -27.307 1.00 41.13 H new ATOM 0 HG1 THR A 57 -32.381 -11.345 -27.975 1.00 43.53 H new ATOM 0 HG21 THR A 57 -30.623 -8.583 -28.431 1.00 4.34 H new ATOM 0 HG22 THR A 57 -30.470 -8.322 -26.678 1.00 4.34 H new ATOM 0 HG23 THR A 57 -30.059 -9.904 -27.380 1.00 4.34 H new ATOM 918 N SER A 58 -30.347 -11.301 -25.113 1.00 25.41 N ATOM 919 CA SER A 58 -29.423 -12.421 -24.970 1.00 34.12 C ATOM 920 C SER A 58 -30.018 -13.504 -24.075 1.00 22.32 C ATOM 921 O SER A 58 -29.670 -14.680 -24.188 1.00 61.03 O ATOM 922 CB SER A 58 -28.091 -11.940 -24.392 1.00 30.34 C ATOM 923 OG SER A 58 -28.266 -10.768 -23.615 1.00 25.02 O ATOM 0 H SER A 58 -30.049 -10.446 -24.643 1.00 25.41 H new ATOM 0 HA SER A 58 -29.249 -12.846 -25.959 1.00 34.12 H new ATOM 0 HB2 SER A 58 -27.653 -12.726 -23.777 1.00 30.34 H new ATOM 0 HB3 SER A 58 -27.390 -11.741 -25.203 1.00 30.34 H new ATOM 0 HG SER A 58 -27.985 -9.986 -24.134 1.00 25.02 H new ATOM 929 N CYS A 59 -30.917 -13.099 -23.184 1.00 60.31 N ATOM 930 CA CYS A 59 -31.561 -14.033 -22.268 1.00 40.11 C ATOM 931 C CYS A 59 -32.531 -14.945 -23.014 1.00 1.11 C ATOM 932 O CYS A 59 -33.009 -15.939 -22.468 1.00 24.33 O ATOM 933 CB CYS A 59 -32.303 -13.271 -21.169 1.00 13.14 C ATOM 934 SG CYS A 59 -31.282 -12.889 -19.709 1.00 50.23 S ATOM 0 H CYS A 59 -31.216 -12.130 -23.077 1.00 60.31 H new ATOM 0 HA CYS A 59 -30.786 -14.650 -21.813 1.00 40.11 H new ATOM 0 HB2 CYS A 59 -32.688 -12.339 -21.584 1.00 13.14 H new ATOM 0 HB3 CYS A 59 -33.165 -13.859 -20.853 1.00 13.14 H new ATOM 939 N SER A 60 -32.817 -14.599 -24.265 1.00 3.20 N ATOM 940 CA SER A 60 -33.732 -15.384 -25.085 1.00 51.30 C ATOM 941 C SER A 60 -33.134 -15.650 -26.463 1.00 55.24 C ATOM 942 O SER A 60 -32.204 -14.967 -26.892 1.00 63.41 O ATOM 943 CB SER A 60 -35.071 -14.658 -25.229 1.00 34.33 C ATOM 944 OG SER A 60 -34.890 -13.253 -25.252 1.00 73.12 O ATOM 0 H SER A 60 -32.428 -13.780 -24.733 1.00 3.20 H new ATOM 0 HA SER A 60 -33.897 -16.340 -24.589 1.00 51.30 H new ATOM 0 HB2 SER A 60 -35.565 -14.979 -26.146 1.00 34.33 H new ATOM 0 HB3 SER A 60 -35.726 -14.930 -24.401 1.00 34.33 H new ATOM 0 HG SER A 60 -35.760 -12.813 -25.346 1.00 73.12 H new ATOM 950 N LYS A 61 -33.676 -16.647 -27.154 1.00 35.44 N ATOM 951 CA LYS A 61 -33.200 -17.005 -28.484 1.00 62.33 C ATOM 952 C LYS A 61 -34.230 -17.856 -29.221 1.00 1.23 C ATOM 953 O LYS A 61 -34.842 -18.751 -28.637 1.00 4.42 O ATOM 954 CB LYS A 61 -31.873 -17.762 -28.387 1.00 35.52 C ATOM 955 CG LYS A 61 -31.038 -17.691 -29.653 1.00 44.40 C ATOM 956 CD LYS A 61 -30.158 -18.919 -29.811 1.00 20.50 C ATOM 957 CE LYS A 61 -30.835 -19.985 -30.660 1.00 14.53 C ATOM 958 NZ LYS A 61 -30.087 -21.272 -30.636 1.00 0.31 N ATOM 0 H LYS A 61 -34.447 -17.222 -26.814 1.00 35.44 H new ATOM 0 HA LYS A 61 -33.046 -16.084 -29.047 1.00 62.33 H new ATOM 0 HB2 LYS A 61 -31.294 -17.358 -27.557 1.00 35.52 H new ATOM 0 HB3 LYS A 61 -32.077 -18.807 -28.154 1.00 35.52 H new ATOM 0 HG2 LYS A 61 -31.695 -17.599 -30.518 1.00 44.40 H new ATOM 0 HG3 LYS A 61 -30.415 -16.797 -29.629 1.00 44.40 H new ATOM 0 HD2 LYS A 61 -29.212 -18.633 -30.271 1.00 20.50 H new ATOM 0 HD3 LYS A 61 -29.924 -19.329 -28.829 1.00 20.50 H new ATOM 0 HE2 LYS A 61 -31.850 -20.148 -30.297 1.00 14.53 H new ATOM 0 HE3 LYS A 61 -30.917 -19.632 -31.688 1.00 14.53 H new ATOM 0 HZ1 LYS A 61 -30.581 -21.972 -31.226 1.00 0.31 H new ATOM 0 HZ2 LYS A 61 -29.127 -21.122 -31.006 1.00 0.31 H new ATOM 0 HZ3 LYS A 61 -30.030 -21.622 -29.658 1.00 0.31 H new ATOM 972 N ASP A 62 -34.416 -17.572 -30.505 1.00 5.20 N ATOM 973 CA ASP A 62 -35.370 -18.313 -31.322 1.00 2.42 C ATOM 974 C ASP A 62 -36.755 -18.303 -30.682 1.00 62.34 C ATOM 975 O ASP A 62 -37.553 -19.215 -30.894 1.00 13.13 O ATOM 976 CB ASP A 62 -34.895 -19.753 -31.518 1.00 61.15 C ATOM 977 CG ASP A 62 -33.765 -19.858 -32.524 1.00 74.22 C ATOM 978 OD1 ASP A 62 -33.047 -18.855 -32.716 1.00 54.13 O ATOM 979 OD2 ASP A 62 -33.600 -20.943 -33.120 1.00 21.51 O ATOM 0 H ASP A 62 -33.919 -16.834 -31.003 1.00 5.20 H new ATOM 0 HA ASP A 62 -35.435 -17.825 -32.295 1.00 2.42 H new ATOM 0 HB2 ASP A 62 -34.564 -20.157 -30.561 1.00 61.15 H new ATOM 0 HB3 ASP A 62 -35.732 -20.367 -31.851 1.00 61.15 H new ATOM 984 N GLY A 63 -37.032 -17.266 -29.898 1.00 52.00 N ATOM 985 CA GLY A 63 -38.320 -17.158 -29.239 1.00 35.13 C ATOM 986 C GLY A 63 -38.411 -18.025 -27.999 1.00 15.14 C ATOM 987 O GLY A 63 -39.500 -18.438 -27.600 1.00 33.43 O ATOM 0 H GLY A 63 -36.387 -16.499 -29.707 1.00 52.00 H new ATOM 0 HA2 GLY A 63 -38.499 -16.118 -28.965 1.00 35.13 H new ATOM 0 HA3 GLY A 63 -39.107 -17.444 -29.937 1.00 35.13 H new ATOM 991 N VAL A 64 -37.264 -18.303 -27.387 1.00 53.21 N ATOM 992 CA VAL A 64 -37.219 -19.127 -26.185 1.00 43.12 C ATOM 993 C VAL A 64 -36.599 -18.364 -25.019 1.00 74.33 C ATOM 994 O VAL A 64 -35.783 -17.465 -25.217 1.00 71.04 O ATOM 995 CB VAL A 64 -36.417 -20.421 -26.422 1.00 11.42 C ATOM 996 CG1 VAL A 64 -34.936 -20.185 -26.170 1.00 3.24 C ATOM 997 CG2 VAL A 64 -36.944 -21.542 -25.540 1.00 34.40 C ATOM 0 H VAL A 64 -36.354 -17.970 -27.704 1.00 53.21 H new ATOM 0 HA VAL A 64 -38.249 -19.386 -25.939 1.00 43.12 H new ATOM 0 HB VAL A 64 -36.541 -20.719 -27.463 1.00 11.42 H new ATOM 0 HG11 VAL A 64 -34.386 -21.110 -26.342 1.00 3.24 H new ATOM 0 HG12 VAL A 64 -34.570 -19.413 -26.847 1.00 3.24 H new ATOM 0 HG13 VAL A 64 -34.789 -19.862 -25.139 1.00 3.24 H new ATOM 0 HG21 VAL A 64 -36.366 -22.449 -25.720 1.00 34.40 H new ATOM 0 HG22 VAL A 64 -36.852 -21.255 -24.493 1.00 34.40 H new ATOM 0 HG23 VAL A 64 -37.992 -21.727 -25.774 1.00 34.40 H new ATOM 1007 N GLN A 65 -36.993 -18.731 -23.804 1.00 14.41 N ATOM 1008 CA GLN A 65 -36.477 -18.080 -22.606 1.00 25.34 C ATOM 1009 C GLN A 65 -35.578 -19.027 -21.817 1.00 44.11 C ATOM 1010 O GLN A 65 -35.965 -20.154 -21.509 1.00 24.32 O ATOM 1011 CB GLN A 65 -37.630 -17.600 -21.723 1.00 3.41 C ATOM 1012 CG GLN A 65 -37.210 -16.582 -20.675 1.00 12.42 C ATOM 1013 CD GLN A 65 -37.073 -17.190 -19.293 1.00 10.42 C ATOM 1014 OE1 GLN A 65 -37.993 -17.838 -18.793 1.00 62.33 O ATOM 1015 NE2 GLN A 65 -35.920 -16.983 -18.667 1.00 15.14 N ATOM 0 H GLN A 65 -37.667 -19.475 -23.623 1.00 14.41 H new ATOM 0 HA GLN A 65 -35.885 -17.220 -22.917 1.00 25.34 H new ATOM 0 HB2 GLN A 65 -38.402 -17.161 -22.355 1.00 3.41 H new ATOM 0 HB3 GLN A 65 -38.077 -18.460 -21.224 1.00 3.41 H new ATOM 0 HG2 GLN A 65 -36.259 -16.136 -20.968 1.00 12.42 H new ATOM 0 HG3 GLN A 65 -37.943 -15.776 -20.642 1.00 12.42 H new ATOM 0 HE21 GLN A 65 -35.185 -16.440 -19.119 1.00 15.14 H new ATOM 0 HE22 GLN A 65 -35.770 -17.367 -17.734 1.00 15.14 H new ATOM 1024 N PHE A 66 -34.376 -18.562 -21.494 1.00 5.51 N ATOM 1025 CA PHE A 66 -33.420 -19.367 -20.742 1.00 74.43 C ATOM 1026 C PHE A 66 -33.738 -19.337 -19.250 1.00 53.23 C ATOM 1027 O PHE A 66 -33.523 -18.328 -18.578 1.00 2.13 O ATOM 1028 CB PHE A 66 -31.996 -18.864 -20.982 1.00 43.41 C ATOM 1029 CG PHE A 66 -31.577 -18.913 -22.424 1.00 20.33 C ATOM 1030 CD1 PHE A 66 -31.864 -20.022 -23.204 1.00 40.53 C ATOM 1031 CD2 PHE A 66 -30.897 -17.852 -22.998 1.00 41.34 C ATOM 1032 CE1 PHE A 66 -31.479 -20.070 -24.531 1.00 30.02 C ATOM 1033 CE2 PHE A 66 -30.510 -17.894 -24.325 1.00 22.44 C ATOM 1034 CZ PHE A 66 -30.802 -19.005 -25.092 1.00 53.30 C ATOM 0 H PHE A 66 -34.040 -17.631 -21.741 1.00 5.51 H new ATOM 0 HA PHE A 66 -33.497 -20.397 -21.091 1.00 74.43 H new ATOM 0 HB2 PHE A 66 -31.917 -17.838 -20.624 1.00 43.41 H new ATOM 0 HB3 PHE A 66 -31.303 -19.463 -20.390 1.00 43.41 H new ATOM 0 HD1 PHE A 66 -32.394 -20.857 -22.771 1.00 40.53 H new ATOM 0 HD2 PHE A 66 -30.666 -16.981 -22.402 1.00 41.34 H new ATOM 0 HE1 PHE A 66 -31.708 -20.940 -25.129 1.00 30.02 H new ATOM 0 HE2 PHE A 66 -29.980 -17.060 -24.761 1.00 22.44 H new ATOM 0 HZ PHE A 66 -30.501 -19.041 -26.129 1.00 53.30 H new ATOM 1044 N THR A 67 -34.253 -20.450 -18.738 1.00 35.20 N ATOM 1045 CA THR A 67 -34.603 -20.552 -17.327 1.00 13.22 C ATOM 1046 C THR A 67 -33.433 -21.084 -16.507 1.00 52.42 C ATOM 1047 O THR A 67 -33.603 -21.966 -15.666 1.00 53.34 O ATOM 1048 CB THR A 67 -35.823 -21.469 -17.115 1.00 4.21 C ATOM 1049 OG1 THR A 67 -35.499 -22.810 -17.497 1.00 70.32 O ATOM 1050 CG2 THR A 67 -37.015 -20.979 -17.923 1.00 22.30 C ATOM 0 H THR A 67 -34.437 -21.294 -19.280 1.00 35.20 H new ATOM 0 HA THR A 67 -34.851 -19.546 -16.990 1.00 13.22 H new ATOM 0 HB THR A 67 -36.088 -21.447 -16.058 1.00 4.21 H new ATOM 0 HG1 THR A 67 -36.279 -23.387 -17.358 1.00 70.32 H new ATOM 0 HG21 THR A 67 -37.864 -21.642 -17.757 1.00 22.30 H new ATOM 0 HG22 THR A 67 -37.277 -19.969 -17.609 1.00 22.30 H new ATOM 0 HG23 THR A 67 -36.759 -20.975 -18.983 1.00 22.30 H new ATOM 1058 N GLU A 68 -32.246 -20.541 -16.758 1.00 2.43 N ATOM 1059 CA GLU A 68 -31.048 -20.962 -16.042 1.00 25.04 C ATOM 1060 C GLU A 68 -30.095 -19.788 -15.837 1.00 1.43 C ATOM 1061 O GLU A 68 -30.012 -18.888 -16.672 1.00 34.11 O ATOM 1062 CB GLU A 68 -30.337 -22.082 -16.805 1.00 54.34 C ATOM 1063 CG GLU A 68 -31.119 -23.384 -16.841 1.00 63.44 C ATOM 1064 CD GLU A 68 -31.078 -24.126 -15.519 1.00 42.04 C ATOM 1065 OE1 GLU A 68 -29.967 -24.472 -15.067 1.00 3.35 O ATOM 1066 OE2 GLU A 68 -32.158 -24.360 -14.938 1.00 21.23 O ATOM 0 H GLU A 68 -32.089 -19.809 -17.451 1.00 2.43 H new ATOM 0 HA GLU A 68 -31.354 -21.335 -15.064 1.00 25.04 H new ATOM 0 HB2 GLU A 68 -30.149 -21.752 -17.827 1.00 54.34 H new ATOM 0 HB3 GLU A 68 -29.366 -22.264 -16.345 1.00 54.34 H new ATOM 0 HG2 GLU A 68 -32.156 -23.174 -17.103 1.00 63.44 H new ATOM 0 HG3 GLU A 68 -30.715 -24.024 -17.625 1.00 63.44 H new ATOM 1073 N GLY A 69 -29.377 -19.804 -14.718 1.00 10.34 N ATOM 1074 CA GLY A 69 -28.440 -18.735 -14.422 1.00 33.42 C ATOM 1075 C GLY A 69 -27.098 -18.938 -15.096 1.00 21.31 C ATOM 1076 O GLY A 69 -26.884 -19.938 -15.782 1.00 51.15 O ATOM 0 H GLY A 69 -29.427 -20.538 -14.011 1.00 10.34 H new ATOM 0 HA2 GLY A 69 -28.865 -17.784 -14.744 1.00 33.42 H new ATOM 0 HA3 GLY A 69 -28.296 -18.671 -13.344 1.00 33.42 H new ATOM 1080 N CYS A 70 -26.190 -17.987 -14.902 1.00 34.12 N ATOM 1081 CA CYS A 70 -24.862 -18.064 -15.498 1.00 11.14 C ATOM 1082 C CYS A 70 -23.850 -18.620 -14.500 1.00 61.12 C ATOM 1083 O CYS A 70 -22.933 -19.353 -14.874 1.00 14.32 O ATOM 1084 CB CYS A 70 -24.415 -16.682 -15.978 1.00 1.34 C ATOM 1085 SG CYS A 70 -25.125 -16.185 -17.580 1.00 60.41 S ATOM 0 H CYS A 70 -26.350 -17.154 -14.336 1.00 34.12 H new ATOM 0 HA CYS A 70 -24.912 -18.739 -16.352 1.00 11.14 H new ATOM 0 HB2 CYS A 70 -24.689 -15.942 -15.226 1.00 1.34 H new ATOM 0 HB3 CYS A 70 -23.328 -16.670 -16.055 1.00 1.34 H new ATOM 1090 N ILE A 71 -24.023 -18.267 -13.231 1.00 32.20 N ATOM 1091 CA ILE A 71 -23.126 -18.732 -12.180 1.00 53.01 C ATOM 1092 C ILE A 71 -23.181 -20.250 -12.042 1.00 42.34 C ATOM 1093 O ILE A 71 -22.202 -20.884 -11.648 1.00 34.15 O ATOM 1094 CB ILE A 71 -23.471 -18.092 -10.822 1.00 44.23 C ATOM 1095 CG1 ILE A 71 -23.379 -16.567 -10.915 1.00 20.33 C ATOM 1096 CG2 ILE A 71 -22.543 -18.619 -9.738 1.00 2.11 C ATOM 1097 CD1 ILE A 71 -24.203 -15.848 -9.870 1.00 72.00 C ATOM 0 H ILE A 71 -24.776 -17.661 -12.906 1.00 32.20 H new ATOM 0 HA ILE A 71 -22.119 -18.432 -12.469 1.00 53.01 H new ATOM 0 HB ILE A 71 -24.494 -18.360 -10.559 1.00 44.23 H new ATOM 0 HG12 ILE A 71 -22.336 -16.267 -10.813 1.00 20.33 H new ATOM 0 HG13 ILE A 71 -23.707 -16.251 -11.905 1.00 20.33 H new ATOM 0 HG21 ILE A 71 -22.799 -18.158 -8.784 1.00 2.11 H new ATOM 0 HG22 ILE A 71 -22.653 -19.701 -9.659 1.00 2.11 H new ATOM 0 HG23 ILE A 71 -21.511 -18.377 -9.993 1.00 2.11 H new ATOM 0 HD11 ILE A 71 -24.090 -14.771 -9.995 1.00 72.00 H new ATOM 0 HD12 ILE A 71 -25.253 -16.119 -9.985 1.00 72.00 H new ATOM 0 HD13 ILE A 71 -23.861 -16.135 -8.876 1.00 72.00 H new ATOM 1109 N LYS A 72 -24.331 -20.827 -12.372 1.00 71.22 N ATOM 1110 CA LYS A 72 -24.514 -22.271 -12.289 1.00 72.30 C ATOM 1111 C LYS A 72 -23.963 -22.962 -13.532 1.00 72.23 C ATOM 1112 O LYS A 72 -23.431 -24.070 -13.456 1.00 13.14 O ATOM 1113 CB LYS A 72 -25.997 -22.609 -12.120 1.00 32.11 C ATOM 1114 CG LYS A 72 -26.656 -21.889 -10.956 1.00 72.01 C ATOM 1115 CD LYS A 72 -26.198 -22.451 -9.621 1.00 22.21 C ATOM 1116 CE LYS A 72 -27.019 -23.666 -9.216 1.00 51.30 C ATOM 1117 NZ LYS A 72 -28.349 -23.279 -8.668 1.00 44.42 N ATOM 0 H LYS A 72 -25.151 -20.316 -12.700 1.00 71.22 H new ATOM 0 HA LYS A 72 -23.964 -22.632 -11.420 1.00 72.30 H new ATOM 0 HB2 LYS A 72 -26.526 -22.356 -13.039 1.00 32.11 H new ATOM 0 HB3 LYS A 72 -26.102 -23.685 -11.977 1.00 32.11 H new ATOM 0 HG2 LYS A 72 -26.420 -20.826 -11.004 1.00 72.01 H new ATOM 0 HG3 LYS A 72 -27.739 -21.979 -11.037 1.00 72.01 H new ATOM 0 HD2 LYS A 72 -25.145 -22.726 -9.683 1.00 22.21 H new ATOM 0 HD3 LYS A 72 -26.282 -21.682 -8.853 1.00 22.21 H new ATOM 0 HE2 LYS A 72 -27.157 -24.315 -10.080 1.00 51.30 H new ATOM 0 HE3 LYS A 72 -26.472 -24.242 -8.469 1.00 51.30 H new ATOM 0 HZ1 LYS A 72 -28.871 -24.134 -8.388 1.00 44.42 H new ATOM 0 HZ2 LYS A 72 -28.218 -22.666 -7.838 1.00 44.42 H new ATOM 0 HZ3 LYS A 72 -28.888 -22.767 -9.395 1.00 44.42 H new ATOM 1131 N LYS A 73 -24.093 -22.301 -14.677 1.00 44.24 N ATOM 1132 CA LYS A 73 -23.605 -22.849 -15.938 1.00 35.25 C ATOM 1133 C LYS A 73 -22.085 -22.759 -16.019 1.00 0.52 C ATOM 1134 O LYS A 73 -21.407 -23.751 -16.284 1.00 71.35 O ATOM 1135 CB LYS A 73 -24.235 -22.106 -17.118 1.00 71.31 C ATOM 1136 CG LYS A 73 -25.731 -22.334 -17.252 1.00 63.34 C ATOM 1137 CD LYS A 73 -26.047 -23.786 -17.570 1.00 72.13 C ATOM 1138 CE LYS A 73 -25.440 -24.211 -18.898 1.00 41.05 C ATOM 1139 NZ LYS A 73 -25.862 -25.585 -19.287 1.00 21.20 N ATOM 0 H LYS A 73 -24.533 -21.384 -14.758 1.00 44.24 H new ATOM 0 HA LYS A 73 -23.891 -23.900 -15.984 1.00 35.25 H new ATOM 0 HB2 LYS A 73 -24.047 -21.038 -17.006 1.00 71.31 H new ATOM 0 HB3 LYS A 73 -23.744 -22.421 -18.039 1.00 71.31 H new ATOM 0 HG2 LYS A 73 -26.228 -22.047 -16.325 1.00 63.34 H new ATOM 0 HG3 LYS A 73 -26.129 -21.693 -18.039 1.00 63.34 H new ATOM 0 HD2 LYS A 73 -25.666 -24.425 -16.774 1.00 72.13 H new ATOM 0 HD3 LYS A 73 -27.128 -23.926 -17.601 1.00 72.13 H new ATOM 0 HE2 LYS A 73 -25.737 -23.506 -19.675 1.00 41.05 H new ATOM 0 HE3 LYS A 73 -24.353 -24.171 -18.830 1.00 41.05 H new ATOM 0 HZ1 LYS A 73 -25.427 -25.837 -20.197 1.00 21.20 H new ATOM 0 HZ2 LYS A 73 -25.557 -26.261 -18.558 1.00 21.20 H new ATOM 0 HZ3 LYS A 73 -26.898 -25.618 -19.377 1.00 21.20 H new ATOM 1153 N VAL A 74 -21.555 -21.562 -15.787 1.00 3.22 N ATOM 1154 CA VAL A 74 -20.114 -21.342 -15.831 1.00 70.42 C ATOM 1155 C VAL A 74 -19.386 -22.273 -14.867 1.00 55.32 C ATOM 1156 O VAL A 74 -18.252 -22.679 -15.118 1.00 21.12 O ATOM 1157 CB VAL A 74 -19.758 -19.884 -15.487 1.00 44.13 C ATOM 1158 CG1 VAL A 74 -18.250 -19.683 -15.508 1.00 61.43 C ATOM 1159 CG2 VAL A 74 -20.445 -18.927 -16.450 1.00 5.13 C ATOM 0 H VAL A 74 -22.102 -20.730 -15.567 1.00 3.22 H new ATOM 0 HA VAL A 74 -19.792 -21.556 -16.850 1.00 70.42 H new ATOM 0 HB VAL A 74 -20.115 -19.669 -14.480 1.00 44.13 H new ATOM 0 HG11 VAL A 74 -18.018 -18.647 -15.263 1.00 61.43 H new ATOM 0 HG12 VAL A 74 -17.785 -20.343 -14.775 1.00 61.43 H new ATOM 0 HG13 VAL A 74 -17.866 -19.916 -16.501 1.00 61.43 H new ATOM 0 HG21 VAL A 74 -20.183 -17.901 -16.192 1.00 5.13 H new ATOM 0 HG22 VAL A 74 -20.120 -19.140 -17.468 1.00 5.13 H new ATOM 0 HG23 VAL A 74 -21.525 -19.054 -16.380 1.00 5.13 H new ATOM 1169 N SER A 75 -20.048 -22.607 -13.764 1.00 4.14 N ATOM 1170 CA SER A 75 -19.463 -23.487 -12.759 1.00 64.52 C ATOM 1171 C SER A 75 -19.297 -24.902 -13.307 1.00 13.13 C ATOM 1172 O SER A 75 -18.310 -25.579 -13.020 1.00 42.10 O ATOM 1173 CB SER A 75 -20.335 -23.513 -11.503 1.00 31.52 C ATOM 1174 OG SER A 75 -19.889 -24.504 -10.593 1.00 11.35 O ATOM 0 H SER A 75 -20.989 -22.282 -13.544 1.00 4.14 H new ATOM 0 HA SER A 75 -18.478 -23.098 -12.500 1.00 64.52 H new ATOM 0 HB2 SER A 75 -20.313 -22.536 -11.021 1.00 31.52 H new ATOM 0 HB3 SER A 75 -21.371 -23.709 -11.780 1.00 31.52 H new ATOM 0 HG SER A 75 -20.462 -24.499 -9.798 1.00 11.35 H new ATOM 1180 N ASP A 76 -20.271 -25.341 -14.096 1.00 72.22 N ATOM 1181 CA ASP A 76 -20.235 -26.675 -14.686 1.00 3.43 C ATOM 1182 C ASP A 76 -18.931 -26.897 -15.445 1.00 63.43 C ATOM 1183 O ASP A 76 -18.216 -27.871 -15.201 1.00 51.43 O ATOM 1184 CB ASP A 76 -21.426 -26.873 -15.624 1.00 33.42 C ATOM 1185 CG ASP A 76 -21.536 -28.300 -16.126 1.00 42.53 C ATOM 1186 OD1 ASP A 76 -21.073 -29.216 -15.415 1.00 50.25 O ATOM 1187 OD2 ASP A 76 -22.084 -28.499 -17.231 1.00 25.30 O ATOM 0 H ASP A 76 -21.095 -24.793 -14.342 1.00 72.22 H new ATOM 0 HA ASP A 76 -20.294 -27.405 -13.879 1.00 3.43 H new ATOM 0 HB2 ASP A 76 -22.344 -26.602 -15.103 1.00 33.42 H new ATOM 0 HB3 ASP A 76 -21.331 -26.198 -16.474 1.00 33.42 H new ATOM 1192 N LEU A 77 -18.627 -25.991 -16.367 1.00 40.34 N ATOM 1193 CA LEU A 77 -17.409 -26.088 -17.164 1.00 61.34 C ATOM 1194 C LEU A 77 -16.189 -25.675 -16.347 1.00 50.23 C ATOM 1195 O LEU A 77 -15.070 -26.108 -16.621 1.00 70.43 O ATOM 1196 CB LEU A 77 -17.521 -25.212 -18.413 1.00 74.01 C ATOM 1197 CG LEU A 77 -17.306 -23.713 -18.203 1.00 13.23 C ATOM 1198 CD1 LEU A 77 -15.842 -23.351 -18.396 1.00 23.52 C ATOM 1199 CD2 LEU A 77 -18.185 -22.910 -19.151 1.00 11.34 C ATOM 0 H LEU A 77 -19.207 -25.180 -16.582 1.00 40.34 H new ATOM 0 HA LEU A 77 -17.285 -27.128 -17.467 1.00 61.34 H new ATOM 0 HB2 LEU A 77 -16.794 -25.564 -19.145 1.00 74.01 H new ATOM 0 HB3 LEU A 77 -18.509 -25.359 -18.848 1.00 74.01 H new ATOM 0 HG LEU A 77 -17.588 -23.465 -17.180 1.00 13.23 H new ATOM 0 HD11 LEU A 77 -15.709 -22.280 -18.243 1.00 23.52 H new ATOM 0 HD12 LEU A 77 -15.234 -23.899 -17.677 1.00 23.52 H new ATOM 0 HD13 LEU A 77 -15.533 -23.614 -19.408 1.00 23.52 H new ATOM 0 HD21 LEU A 77 -18.019 -21.845 -18.987 1.00 11.34 H new ATOM 0 HD22 LEU A 77 -17.934 -23.162 -20.181 1.00 11.34 H new ATOM 0 HD23 LEU A 77 -19.232 -23.147 -18.964 1.00 11.34 H new ATOM 1211 N SER A 78 -16.414 -24.835 -15.342 1.00 23.45 N ATOM 1212 CA SER A 78 -15.333 -24.362 -14.485 1.00 24.00 C ATOM 1213 C SER A 78 -14.610 -25.533 -13.825 1.00 52.40 C ATOM 1214 O SER A 78 -13.385 -25.636 -13.886 1.00 42.22 O ATOM 1215 CB SER A 78 -15.879 -23.416 -13.414 1.00 31.00 C ATOM 1216 OG SER A 78 -14.863 -23.036 -12.503 1.00 3.04 O ATOM 0 H SER A 78 -17.335 -24.468 -15.101 1.00 23.45 H new ATOM 0 HA SER A 78 -14.620 -23.822 -15.107 1.00 24.00 H new ATOM 0 HB2 SER A 78 -16.297 -22.528 -13.888 1.00 31.00 H new ATOM 0 HB3 SER A 78 -16.692 -23.903 -12.875 1.00 31.00 H new ATOM 0 HG SER A 78 -15.237 -22.430 -11.830 1.00 3.04 H new ATOM 1222 N LYS A 79 -15.379 -26.414 -13.193 1.00 44.54 N ATOM 1223 CA LYS A 79 -14.815 -27.579 -12.522 1.00 41.40 C ATOM 1224 C LYS A 79 -14.161 -28.522 -13.527 1.00 2.14 C ATOM 1225 O LYS A 79 -13.249 -29.273 -13.184 1.00 24.34 O ATOM 1226 CB LYS A 79 -15.904 -28.321 -11.744 1.00 4.34 C ATOM 1227 CG LYS A 79 -17.086 -28.739 -12.600 1.00 61.13 C ATOM 1228 CD LYS A 79 -17.795 -29.951 -12.019 1.00 2.21 C ATOM 1229 CE LYS A 79 -18.225 -30.921 -13.108 1.00 64.15 C ATOM 1230 NZ LYS A 79 -19.639 -30.702 -13.520 1.00 21.21 N ATOM 0 H LYS A 79 -16.395 -26.343 -13.132 1.00 44.54 H new ATOM 0 HA LYS A 79 -14.051 -27.232 -11.826 1.00 41.40 H new ATOM 0 HB2 LYS A 79 -15.469 -29.208 -11.283 1.00 4.34 H new ATOM 0 HB3 LYS A 79 -16.260 -27.683 -10.935 1.00 4.34 H new ATOM 0 HG2 LYS A 79 -17.789 -27.910 -12.681 1.00 61.13 H new ATOM 0 HG3 LYS A 79 -16.743 -28.966 -13.609 1.00 61.13 H new ATOM 0 HD2 LYS A 79 -17.133 -30.460 -11.318 1.00 2.21 H new ATOM 0 HD3 LYS A 79 -18.669 -29.626 -11.454 1.00 2.21 H new ATOM 0 HE2 LYS A 79 -17.573 -30.807 -13.974 1.00 64.15 H new ATOM 0 HE3 LYS A 79 -18.105 -31.944 -12.751 1.00 64.15 H new ATOM 0 HZ1 LYS A 79 -20.042 -31.596 -13.867 1.00 21.21 H new ATOM 0 HZ2 LYS A 79 -20.190 -30.367 -12.704 1.00 21.21 H new ATOM 0 HZ3 LYS A 79 -19.674 -29.990 -14.277 1.00 21.21 H new ATOM 1244 N ALA A 80 -14.632 -28.476 -14.768 1.00 52.13 N ATOM 1245 CA ALA A 80 -14.090 -29.324 -15.823 1.00 15.11 C ATOM 1246 C ALA A 80 -12.610 -29.037 -16.052 1.00 34.21 C ATOM 1247 O ALA A 80 -12.154 -27.906 -15.886 1.00 2.44 O ATOM 1248 CB ALA A 80 -14.874 -29.128 -17.112 1.00 42.45 C ATOM 0 H ALA A 80 -15.388 -27.861 -15.068 1.00 52.13 H new ATOM 0 HA ALA A 80 -14.187 -30.363 -15.506 1.00 15.11 H new ATOM 0 HB1 ALA A 80 -14.459 -29.767 -17.891 1.00 42.45 H new ATOM 0 HB2 ALA A 80 -15.919 -29.391 -16.946 1.00 42.45 H new ATOM 0 HB3 ALA A 80 -14.807 -28.086 -17.424 1.00 42.45 H new ATOM 1254 N HIS A 81 -11.865 -30.069 -16.434 1.00 24.12 N ATOM 1255 CA HIS A 81 -10.435 -29.927 -16.685 1.00 62.55 C ATOM 1256 C HIS A 81 -9.973 -30.905 -17.762 1.00 73.11 C ATOM 1257 O HIS A 81 -10.738 -31.765 -18.202 1.00 44.53 O ATOM 1258 CB HIS A 81 -9.644 -30.158 -15.398 1.00 25.13 C ATOM 1259 CG HIS A 81 -8.308 -29.480 -15.386 1.00 12.13 C ATOM 1260 ND1 HIS A 81 -8.156 -28.115 -15.512 1.00 60.34 N ATOM 1261 CD2 HIS A 81 -7.059 -29.986 -15.259 1.00 73.12 C ATOM 1262 CE1 HIS A 81 -6.871 -27.812 -15.466 1.00 51.42 C ATOM 1263 NE2 HIS A 81 -6.184 -28.929 -15.312 1.00 71.25 N ATOM 0 H HIS A 81 -12.227 -31.012 -16.576 1.00 24.12 H new ATOM 0 HA HIS A 81 -10.252 -28.912 -17.037 1.00 62.55 H new ATOM 0 HB2 HIS A 81 -10.231 -29.801 -14.552 1.00 25.13 H new ATOM 0 HB3 HIS A 81 -9.500 -31.229 -15.257 1.00 25.13 H new ATOM 0 HD2 HIS A 81 -6.799 -31.027 -15.138 1.00 73.12 H new ATOM 0 HE1 HIS A 81 -6.453 -26.819 -15.542 1.00 51.42 H new ATOM 0 HE2 HIS A 81 -5.169 -28.996 -15.244 1.00 71.25 H new TER 1272 HIS A 81