USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 580 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 55 LYS NZ :NH3+ -150:sc= 2.39 (180deg=0.656) USER MOD Set 2.1: A 2 ASN : amide:sc= 0.825 K(o=1.7,f=-0.22) USER MOD Set 2.2: A 11 THR OG1 : rot -69:sc= 0.887 USER MOD Single : A 1 MET CE :methyl -130:sc= 0 (180deg=-1.01) USER MOD Single : A 1 MET N :NH3+ 167:sc= 1.21 (180deg=1.06) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -3.43! K(o=-3.4!,f=-0.21) USER MOD Single : A 8 LYS NZ :NH3+ -172:sc= -0.959! (180deg=-1.78!) USER MOD Single : A 10 SER OG : rot 58:sc= 0.299 USER MOD Single : A 17 SER OG : rot 1:sc= 0.987 USER MOD Single : A 19 ASN : amide:sc= -0.122 K(o=-0.12,f=-9.5!) USER MOD Single : A 21 THR OG1 : rot -168:sc= 0.0178 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -178:sc= 0.476 (180deg=0.473) USER MOD Single : A 31 GLN : amide:sc= -0.319 X(o=-0.32,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.207 K(o=-0.21,f=-6.1!) USER MOD Single : A 52 THR OG1 : rot 85:sc= 0.691 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -115:sc= 0 (180deg=-0.17) USER MOD Single : A 70 LYS NZ :NH3+ -165:sc= -0.0393 (180deg=-0.258) USER MOD Single : A 73 HIS : no HD1:sc= -1.94! K(o=-1.9!,f=0) USER MOD Single : A 74 HIS : no HE2:sc= -1.21 K(o=-1.2,f=-2.3!) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.353 -11.564 -1.447 1.00 64.53 N ATOM 2 CA MET A 1 -2.221 -10.870 -0.774 1.00 73.32 C ATOM 3 C MET A 1 -2.632 -9.478 -0.259 1.00 22.32 C ATOM 4 O MET A 1 -3.295 -8.711 -0.954 1.00 5.22 O ATOM 5 CB MET A 1 -1.014 -10.765 -1.722 1.00 71.22 C ATOM 6 CG MET A 1 -1.299 -10.050 -3.034 1.00 53.01 C ATOM 7 SD MET A 1 0.137 -10.029 -4.127 1.00 61.43 S ATOM 8 CE MET A 1 -0.497 -9.090 -5.513 1.00 3.51 C ATOM 0 H1 MET A 1 -2.994 -12.389 -1.969 1.00 64.53 H new ATOM 0 H2 MET A 1 -4.041 -11.878 -0.733 1.00 64.53 H new ATOM 0 H3 MET A 1 -3.816 -10.910 -2.110 1.00 64.53 H new ATOM 0 HA MET A 1 -1.935 -11.467 0.092 1.00 73.32 H new ATOM 0 HB2 MET A 1 -0.208 -10.243 -1.206 1.00 71.22 H new ATOM 0 HB3 MET A 1 -0.653 -11.770 -1.942 1.00 71.22 H new ATOM 0 HG2 MET A 1 -2.131 -10.541 -3.540 1.00 53.01 H new ATOM 0 HG3 MET A 1 -1.611 -9.026 -2.827 1.00 53.01 H new ATOM 0 HE1 MET A 1 -0.292 -9.626 -6.440 1.00 3.51 H new ATOM 0 HE2 MET A 1 -1.573 -8.958 -5.401 1.00 3.51 H new ATOM 0 HE3 MET A 1 -0.013 -8.114 -5.543 1.00 3.51 H new ATOM 20 N ASN A 2 -2.249 -9.168 0.978 1.00 3.11 N ATOM 21 CA ASN A 2 -2.547 -7.865 1.590 1.00 61.33 C ATOM 22 C ASN A 2 -1.463 -6.824 1.263 1.00 3.42 C ATOM 23 O ASN A 2 -0.293 -7.015 1.583 1.00 21.34 O ATOM 24 CB ASN A 2 -2.673 -8.010 3.110 1.00 62.21 C ATOM 25 CG ASN A 2 -3.838 -8.894 3.512 1.00 3.43 C ATOM 26 OD1 ASN A 2 -4.962 -8.428 3.661 1.00 33.53 O ATOM 27 ND2 ASN A 2 -3.585 -10.169 3.706 1.00 54.54 N ATOM 0 H ASN A 2 -1.728 -9.803 1.583 1.00 3.11 H new ATOM 0 HA ASN A 2 -3.492 -7.517 1.174 1.00 61.33 H new ATOM 0 HB2 ASN A 2 -1.749 -8.427 3.510 1.00 62.21 H new ATOM 0 HB3 ASN A 2 -2.798 -7.024 3.557 1.00 62.21 H new ATOM 0 HD21 ASN A 2 -4.335 -10.800 3.989 1.00 54.54 H new ATOM 0 HD22 ASN A 2 -2.639 -10.527 3.574 1.00 54.54 H new ATOM 34 N LEU A 3 -1.860 -5.725 0.628 1.00 4.22 N ATOM 35 CA LEU A 3 -0.928 -4.641 0.280 1.00 75.04 C ATOM 36 C LEU A 3 -1.411 -3.294 0.832 1.00 12.52 C ATOM 37 O LEU A 3 -2.445 -2.774 0.411 1.00 12.23 O ATOM 38 CB LEU A 3 -0.774 -4.546 -1.244 1.00 54.04 C ATOM 39 CG LEU A 3 -0.140 -5.768 -1.925 1.00 3.21 C ATOM 40 CD1 LEU A 3 -0.115 -5.586 -3.442 1.00 72.41 C ATOM 41 CD2 LEU A 3 1.267 -6.008 -1.387 1.00 40.54 C ATOM 0 H LEU A 3 -2.824 -5.555 0.340 1.00 4.22 H new ATOM 0 HA LEU A 3 0.037 -4.872 0.731 1.00 75.04 H new ATOM 0 HB2 LEU A 3 -1.759 -4.379 -1.681 1.00 54.04 H new ATOM 0 HB3 LEU A 3 -0.170 -3.669 -1.476 1.00 54.04 H new ATOM 0 HG LEU A 3 -0.748 -6.644 -1.698 1.00 3.21 H new ATOM 0 HD11 LEU A 3 0.338 -6.462 -3.906 1.00 72.41 H new ATOM 0 HD12 LEU A 3 -1.134 -5.466 -3.811 1.00 72.41 H new ATOM 0 HD13 LEU A 3 0.469 -4.700 -3.693 1.00 72.41 H new ATOM 0 HD21 LEU A 3 1.702 -6.877 -1.880 1.00 40.54 H new ATOM 0 HD22 LEU A 3 1.886 -5.132 -1.583 1.00 40.54 H new ATOM 0 HD23 LEU A 3 1.220 -6.186 -0.313 1.00 40.54 H new ATOM 53 N THR A 4 -0.667 -2.727 1.772 1.00 73.23 N ATOM 54 CA THR A 4 -1.032 -1.433 2.360 1.00 5.43 C ATOM 55 C THR A 4 -0.707 -0.278 1.393 1.00 71.14 C ATOM 56 O THR A 4 0.292 0.428 1.544 1.00 52.11 O ATOM 57 CB THR A 4 -0.321 -1.204 3.720 1.00 23.32 C ATOM 58 OG1 THR A 4 -0.546 -2.326 4.588 1.00 75.41 O ATOM 59 CG2 THR A 4 -0.821 0.061 4.411 1.00 41.12 C ATOM 0 H THR A 4 0.190 -3.135 2.146 1.00 73.23 H new ATOM 0 HA THR A 4 -2.107 -1.451 2.538 1.00 5.43 H new ATOM 0 HB THR A 4 0.744 -1.091 3.516 1.00 23.32 H new ATOM 0 HG1 THR A 4 -0.092 -2.174 5.443 1.00 75.41 H new ATOM 0 HG21 THR A 4 -0.300 0.187 5.360 1.00 41.12 H new ATOM 0 HG22 THR A 4 -0.629 0.924 3.774 1.00 41.12 H new ATOM 0 HG23 THR A 4 -1.892 -0.023 4.594 1.00 41.12 H new ATOM 67 N VAL A 5 -1.562 -0.100 0.387 1.00 31.51 N ATOM 68 CA VAL A 5 -1.333 0.890 -0.671 1.00 41.42 C ATOM 69 C VAL A 5 -1.582 2.325 -0.177 1.00 53.01 C ATOM 70 O VAL A 5 -2.709 2.683 0.175 1.00 3.34 O ATOM 71 CB VAL A 5 -2.233 0.606 -1.903 1.00 40.23 C ATOM 72 CG1 VAL A 5 -1.955 1.602 -3.027 1.00 0.13 C ATOM 73 CG2 VAL A 5 -2.046 -0.833 -2.386 1.00 22.03 C ATOM 0 H VAL A 5 -2.426 -0.631 0.280 1.00 31.51 H new ATOM 0 HA VAL A 5 -0.286 0.802 -0.961 1.00 41.42 H new ATOM 0 HB VAL A 5 -3.273 0.730 -1.600 1.00 40.23 H new ATOM 0 HG11 VAL A 5 -2.599 1.380 -3.878 1.00 0.13 H new ATOM 0 HG12 VAL A 5 -2.156 2.614 -2.674 1.00 0.13 H new ATOM 0 HG13 VAL A 5 -0.911 1.524 -3.332 1.00 0.13 H new ATOM 0 HG21 VAL A 5 -2.685 -1.013 -3.250 1.00 22.03 H new ATOM 0 HG22 VAL A 5 -1.004 -0.990 -2.666 1.00 22.03 H new ATOM 0 HG23 VAL A 5 -2.315 -1.523 -1.586 1.00 22.03 H new ATOM 83 N ASN A 6 -0.516 3.136 -0.140 1.00 21.22 N ATOM 84 CA ASN A 6 -0.604 4.545 0.296 1.00 41.45 C ATOM 85 C ASN A 6 -1.067 4.662 1.760 1.00 21.11 C ATOM 86 O ASN A 6 -1.531 5.716 2.191 1.00 22.34 O ATOM 87 CB ASN A 6 -1.554 5.353 -0.608 1.00 25.42 C ATOM 88 CG ASN A 6 -1.058 5.517 -2.037 1.00 43.22 C ATOM 89 OD1 ASN A 6 -1.286 6.542 -2.667 1.00 34.32 O ATOM 90 ND2 ASN A 6 -0.403 4.509 -2.575 1.00 13.32 N ATOM 0 H ASN A 6 0.424 2.843 -0.407 1.00 21.22 H new ATOM 0 HA ASN A 6 0.401 4.959 0.215 1.00 41.45 H new ATOM 0 HB2 ASN A 6 -2.527 4.862 -0.626 1.00 25.42 H new ATOM 0 HB3 ASN A 6 -1.703 6.340 -0.171 1.00 25.42 H new ATOM 0 HD21 ASN A 6 -0.073 4.571 -3.538 1.00 13.32 H new ATOM 0 HD22 ASN A 6 -0.226 3.666 -2.029 1.00 13.32 H new ATOM 97 N GLY A 7 -0.927 3.581 2.524 1.00 32.50 N ATOM 98 CA GLY A 7 -1.387 3.577 3.911 1.00 24.31 C ATOM 99 C GLY A 7 -2.706 2.832 4.114 1.00 63.32 C ATOM 100 O GLY A 7 -3.110 2.574 5.246 1.00 42.04 O ATOM 0 H GLY A 7 -0.504 2.707 2.212 1.00 32.50 H new ATOM 0 HA2 GLY A 7 -0.621 3.121 4.538 1.00 24.31 H new ATOM 0 HA3 GLY A 7 -1.505 4.606 4.249 1.00 24.31 H new ATOM 104 N LYS A 8 -3.379 2.478 3.020 1.00 62.33 N ATOM 105 CA LYS A 8 -4.652 1.746 3.105 1.00 61.50 C ATOM 106 C LYS A 8 -4.444 0.237 2.878 1.00 14.31 C ATOM 107 O LYS A 8 -4.042 -0.182 1.788 1.00 11.10 O ATOM 108 CB LYS A 8 -5.674 2.279 2.081 1.00 34.21 C ATOM 109 CG LYS A 8 -6.051 3.751 2.261 1.00 32.51 C ATOM 110 CD LYS A 8 -5.057 4.702 1.582 1.00 71.13 C ATOM 111 CE LYS A 8 -5.308 4.839 0.076 1.00 75.44 C ATOM 112 NZ LYS A 8 -5.199 3.544 -0.652 1.00 0.44 N ATOM 0 H LYS A 8 -3.071 2.682 2.069 1.00 62.33 H new ATOM 0 HA LYS A 8 -5.042 1.904 4.110 1.00 61.50 H new ATOM 0 HB2 LYS A 8 -5.269 2.142 1.078 1.00 34.21 H new ATOM 0 HB3 LYS A 8 -6.580 1.676 2.144 1.00 34.21 H new ATOM 0 HG2 LYS A 8 -7.047 3.920 1.852 1.00 32.51 H new ATOM 0 HG3 LYS A 8 -6.100 3.982 3.325 1.00 32.51 H new ATOM 0 HD2 LYS A 8 -5.123 5.685 2.049 1.00 71.13 H new ATOM 0 HD3 LYS A 8 -4.042 4.339 1.746 1.00 71.13 H new ATOM 0 HE2 LYS A 8 -6.302 5.257 -0.085 1.00 75.44 H new ATOM 0 HE3 LYS A 8 -4.593 5.547 -0.343 1.00 75.44 H new ATOM 0 HZ1 LYS A 8 -5.243 3.717 -1.677 1.00 0.44 H new ATOM 0 HZ2 LYS A 8 -4.294 3.088 -0.417 1.00 0.44 H new ATOM 0 HZ3 LYS A 8 -5.983 2.921 -0.372 1.00 0.44 H new ATOM 126 N PRO A 9 -4.715 -0.604 3.903 1.00 41.52 N ATOM 127 CA PRO A 9 -4.582 -2.070 3.793 1.00 42.12 C ATOM 128 C PRO A 9 -5.506 -2.661 2.713 1.00 1.11 C ATOM 129 O PRO A 9 -6.689 -2.908 2.950 1.00 44.05 O ATOM 130 CB PRO A 9 -4.972 -2.583 5.192 1.00 12.30 C ATOM 131 CG PRO A 9 -4.831 -1.398 6.089 1.00 35.31 C ATOM 132 CD PRO A 9 -5.170 -0.199 5.245 1.00 73.05 C ATOM 0 HA PRO A 9 -3.576 -2.364 3.493 1.00 42.12 H new ATOM 0 HB2 PRO A 9 -5.992 -2.967 5.202 1.00 12.30 H new ATOM 0 HB3 PRO A 9 -4.322 -3.398 5.509 1.00 12.30 H new ATOM 0 HG2 PRO A 9 -5.501 -1.475 6.946 1.00 35.31 H new ATOM 0 HG3 PRO A 9 -3.817 -1.325 6.483 1.00 35.31 H new ATOM 0 HD2 PRO A 9 -6.238 0.018 5.261 1.00 73.05 H new ATOM 0 HD3 PRO A 9 -4.657 0.698 5.592 1.00 73.05 H new ATOM 140 N SER A 10 -4.959 -2.865 1.520 1.00 72.34 N ATOM 141 CA SER A 10 -5.742 -3.346 0.378 1.00 33.42 C ATOM 142 C SER A 10 -5.594 -4.861 0.202 1.00 35.45 C ATOM 143 O SER A 10 -4.585 -5.348 -0.317 1.00 3.45 O ATOM 144 CB SER A 10 -5.298 -2.622 -0.903 1.00 54.14 C ATOM 145 OG SER A 10 -5.337 -1.210 -0.731 1.00 63.32 O ATOM 0 H SER A 10 -3.973 -2.705 1.314 1.00 72.34 H new ATOM 0 HA SER A 10 -6.793 -3.130 0.571 1.00 33.42 H new ATOM 0 HB2 SER A 10 -4.287 -2.932 -1.168 1.00 54.14 H new ATOM 0 HB3 SER A 10 -5.947 -2.909 -1.731 1.00 54.14 H new ATOM 0 HG SER A 10 -4.763 -0.956 0.022 1.00 63.32 H new ATOM 151 N THR A 11 -6.593 -5.608 0.659 1.00 25.05 N ATOM 152 CA THR A 11 -6.592 -7.070 0.520 1.00 23.42 C ATOM 153 C THR A 11 -6.882 -7.487 -0.928 1.00 1.34 C ATOM 154 O THR A 11 -8.027 -7.759 -1.287 1.00 53.04 O ATOM 155 CB THR A 11 -7.635 -7.733 1.458 1.00 51.40 C ATOM 156 OG1 THR A 11 -7.441 -7.289 2.813 1.00 10.23 O ATOM 157 CG2 THR A 11 -7.532 -9.255 1.405 1.00 30.24 C ATOM 0 H THR A 11 -7.416 -5.231 1.129 1.00 25.05 H new ATOM 0 HA THR A 11 -5.596 -7.412 0.802 1.00 23.42 H new ATOM 0 HB THR A 11 -8.626 -7.437 1.115 1.00 51.40 H new ATOM 0 HG1 THR A 11 -6.600 -7.653 3.159 1.00 10.23 H new ATOM 0 HG21 THR A 11 -8.274 -9.693 2.072 1.00 30.24 H new ATOM 0 HG22 THR A 11 -7.713 -9.597 0.386 1.00 30.24 H new ATOM 0 HG23 THR A 11 -6.535 -9.563 1.719 1.00 30.24 H new ATOM 165 N VAL A 12 -5.845 -7.508 -1.763 1.00 33.34 N ATOM 166 CA VAL A 12 -5.990 -7.903 -3.171 1.00 73.45 C ATOM 167 C VAL A 12 -5.608 -9.379 -3.373 1.00 73.35 C ATOM 168 O VAL A 12 -4.452 -9.768 -3.201 1.00 33.40 O ATOM 169 CB VAL A 12 -5.141 -7.001 -4.111 1.00 44.22 C ATOM 170 CG1 VAL A 12 -5.710 -5.583 -4.152 1.00 73.13 C ATOM 171 CG2 VAL A 12 -3.674 -6.980 -3.680 1.00 32.34 C ATOM 0 H VAL A 12 -4.894 -7.257 -1.493 1.00 33.34 H new ATOM 0 HA VAL A 12 -7.040 -7.773 -3.432 1.00 73.45 H new ATOM 0 HB VAL A 12 -5.189 -7.423 -5.115 1.00 44.22 H new ATOM 0 HG11 VAL A 12 -5.103 -4.966 -4.815 1.00 73.13 H new ATOM 0 HG12 VAL A 12 -6.735 -5.613 -4.522 1.00 73.13 H new ATOM 0 HG13 VAL A 12 -5.699 -5.157 -3.149 1.00 73.13 H new ATOM 0 HG21 VAL A 12 -3.105 -6.341 -4.356 1.00 32.34 H new ATOM 0 HG22 VAL A 12 -3.599 -6.592 -2.664 1.00 32.34 H new ATOM 0 HG23 VAL A 12 -3.271 -7.992 -3.712 1.00 32.34 H new ATOM 181 N ASP A 13 -6.585 -10.210 -3.724 1.00 0.34 N ATOM 182 CA ASP A 13 -6.344 -11.646 -3.891 1.00 70.24 C ATOM 183 C ASP A 13 -6.620 -12.092 -5.343 1.00 64.41 C ATOM 184 O ASP A 13 -6.986 -11.277 -6.193 1.00 55.32 O ATOM 185 CB ASP A 13 -7.197 -12.435 -2.886 1.00 72.42 C ATOM 186 CG ASP A 13 -6.611 -13.804 -2.589 1.00 23.23 C ATOM 187 OD1 ASP A 13 -5.687 -13.885 -1.754 1.00 64.43 O ATOM 188 OD2 ASP A 13 -7.049 -14.792 -3.207 1.00 1.11 O ATOM 0 H ASP A 13 -7.547 -9.919 -3.898 1.00 0.34 H new ATOM 0 HA ASP A 13 -5.293 -11.853 -3.689 1.00 70.24 H new ATOM 0 HB2 ASP A 13 -7.281 -11.868 -1.959 1.00 72.42 H new ATOM 0 HB3 ASP A 13 -8.206 -12.551 -3.281 1.00 72.42 H new ATOM 193 N GLY A 14 -6.440 -13.383 -5.624 1.00 35.25 N ATOM 194 CA GLY A 14 -6.556 -13.880 -6.994 1.00 51.45 C ATOM 195 C GLY A 14 -5.256 -13.715 -7.784 1.00 73.34 C ATOM 196 O GLY A 14 -5.210 -13.951 -8.995 1.00 45.25 O ATOM 0 H GLY A 14 -6.216 -14.096 -4.930 1.00 35.25 H new ATOM 0 HA2 GLY A 14 -6.835 -14.934 -6.973 1.00 51.45 H new ATOM 0 HA3 GLY A 14 -7.359 -13.348 -7.504 1.00 51.45 H new ATOM 200 N ALA A 15 -4.201 -13.303 -7.085 1.00 74.15 N ATOM 201 CA ALA A 15 -2.878 -13.119 -7.682 1.00 74.15 C ATOM 202 C ALA A 15 -1.784 -13.369 -6.635 1.00 63.15 C ATOM 203 O ALA A 15 -1.469 -12.496 -5.824 1.00 2.54 O ATOM 204 CB ALA A 15 -2.747 -11.717 -8.277 1.00 23.32 C ATOM 0 H ALA A 15 -4.238 -13.087 -6.089 1.00 74.15 H new ATOM 0 HA ALA A 15 -2.756 -13.842 -8.489 1.00 74.15 H new ATOM 0 HB1 ALA A 15 -1.756 -11.599 -8.716 1.00 23.32 H new ATOM 0 HB2 ALA A 15 -3.505 -11.577 -9.048 1.00 23.32 H new ATOM 0 HB3 ALA A 15 -2.886 -10.974 -7.492 1.00 23.32 H new ATOM 210 N GLU A 16 -1.224 -14.573 -6.645 1.00 35.11 N ATOM 211 CA GLU A 16 -0.260 -14.989 -5.623 1.00 12.35 C ATOM 212 C GLU A 16 1.119 -14.346 -5.836 1.00 74.24 C ATOM 213 O GLU A 16 2.006 -14.946 -6.445 1.00 52.01 O ATOM 214 CB GLU A 16 -0.140 -16.519 -5.604 1.00 52.02 C ATOM 215 CG GLU A 16 -1.455 -17.230 -5.300 1.00 4.42 C ATOM 216 CD GLU A 16 -1.354 -18.739 -5.457 1.00 14.33 C ATOM 217 OE1 GLU A 16 -1.481 -19.231 -6.598 1.00 73.11 O ATOM 218 OE2 GLU A 16 -1.141 -19.442 -4.444 1.00 55.24 O ATOM 0 H GLU A 16 -1.419 -15.283 -7.350 1.00 35.11 H new ATOM 0 HA GLU A 16 -0.632 -14.644 -4.658 1.00 12.35 H new ATOM 0 HB2 GLU A 16 0.232 -16.858 -6.571 1.00 52.02 H new ATOM 0 HB3 GLU A 16 0.601 -16.808 -4.858 1.00 52.02 H new ATOM 0 HG2 GLU A 16 -1.764 -16.994 -4.282 1.00 4.42 H new ATOM 0 HG3 GLU A 16 -2.231 -16.850 -5.965 1.00 4.42 H new ATOM 225 N SER A 17 1.251 -13.101 -5.364 1.00 72.32 N ATOM 226 CA SER A 17 2.529 -12.347 -5.340 1.00 13.44 C ATOM 227 C SER A 17 3.090 -12.042 -6.742 1.00 74.52 C ATOM 228 O SER A 17 2.996 -12.848 -7.667 1.00 43.21 O ATOM 229 CB SER A 17 3.601 -13.060 -4.485 1.00 53.21 C ATOM 230 OG SER A 17 3.995 -14.313 -5.032 1.00 43.34 O ATOM 0 H SER A 17 0.467 -12.573 -4.980 1.00 72.32 H new ATOM 0 HA SER A 17 2.285 -11.391 -4.878 1.00 13.44 H new ATOM 0 HB2 SER A 17 4.476 -12.416 -4.395 1.00 53.21 H new ATOM 0 HB3 SER A 17 3.214 -13.213 -3.478 1.00 53.21 H new ATOM 0 HG SER A 17 3.503 -14.476 -5.864 1.00 43.34 H new ATOM 236 N LEU A 18 3.694 -10.863 -6.881 1.00 24.34 N ATOM 237 CA LEU A 18 4.271 -10.415 -8.156 1.00 72.53 C ATOM 238 C LEU A 18 5.369 -9.363 -7.932 1.00 30.24 C ATOM 239 O LEU A 18 5.615 -8.946 -6.805 1.00 24.03 O ATOM 240 CB LEU A 18 3.159 -9.861 -9.081 1.00 72.52 C ATOM 241 CG LEU A 18 2.128 -8.912 -8.424 1.00 44.20 C ATOM 242 CD1 LEU A 18 2.751 -7.571 -8.034 1.00 45.31 C ATOM 243 CD2 LEU A 18 0.931 -8.695 -9.351 1.00 74.14 C ATOM 0 H LEU A 18 3.799 -10.192 -6.120 1.00 24.34 H new ATOM 0 HA LEU A 18 4.733 -11.275 -8.641 1.00 72.53 H new ATOM 0 HB2 LEU A 18 3.634 -9.331 -9.907 1.00 72.52 H new ATOM 0 HB3 LEU A 18 2.621 -10.705 -9.512 1.00 72.52 H new ATOM 0 HG LEU A 18 1.784 -9.391 -7.507 1.00 44.20 H new ATOM 0 HD11 LEU A 18 1.992 -6.936 -7.577 1.00 45.31 H new ATOM 0 HD12 LEU A 18 3.560 -7.739 -7.323 1.00 45.31 H new ATOM 0 HD13 LEU A 18 3.146 -7.081 -8.924 1.00 45.31 H new ATOM 0 HD21 LEU A 18 0.217 -8.025 -8.872 1.00 74.14 H new ATOM 0 HD22 LEU A 18 1.271 -8.253 -10.287 1.00 74.14 H new ATOM 0 HD23 LEU A 18 0.451 -9.652 -9.555 1.00 74.14 H new ATOM 255 N ASN A 19 6.035 -8.946 -9.006 1.00 61.44 N ATOM 256 CA ASN A 19 7.033 -7.868 -8.924 1.00 51.23 C ATOM 257 C ASN A 19 6.422 -6.518 -9.344 1.00 0.30 C ATOM 258 O ASN A 19 5.288 -6.462 -9.827 1.00 42.24 O ATOM 259 CB ASN A 19 8.266 -8.205 -9.784 1.00 12.12 C ATOM 260 CG ASN A 19 7.930 -8.458 -11.241 1.00 54.35 C ATOM 261 OD1 ASN A 19 7.011 -7.868 -11.796 1.00 44.42 O ATOM 262 ND2 ASN A 19 8.663 -9.352 -11.873 1.00 64.23 N ATOM 0 H ASN A 19 5.907 -9.332 -9.941 1.00 61.44 H new ATOM 0 HA ASN A 19 7.354 -7.780 -7.886 1.00 51.23 H new ATOM 0 HB2 ASN A 19 8.980 -7.384 -9.720 1.00 12.12 H new ATOM 0 HB3 ASN A 19 8.757 -9.087 -9.373 1.00 12.12 H new ATOM 0 HD21 ASN A 19 8.472 -9.569 -12.851 1.00 64.23 H new ATOM 0 HD22 ASN A 19 9.422 -9.827 -11.384 1.00 64.23 H new ATOM 269 N VAL A 20 7.172 -5.433 -9.164 1.00 14.25 N ATOM 270 CA VAL A 20 6.667 -4.089 -9.481 1.00 52.33 C ATOM 271 C VAL A 20 6.283 -3.959 -10.968 1.00 21.44 C ATOM 272 O VAL A 20 5.300 -3.301 -11.312 1.00 60.03 O ATOM 273 CB VAL A 20 7.700 -2.993 -9.110 1.00 71.14 C ATOM 274 CG1 VAL A 20 7.144 -1.592 -9.381 1.00 1.22 C ATOM 275 CG2 VAL A 20 8.135 -3.136 -7.651 1.00 52.43 C ATOM 0 H VAL A 20 8.126 -5.452 -8.803 1.00 14.25 H new ATOM 0 HA VAL A 20 5.770 -3.944 -8.879 1.00 52.33 H new ATOM 0 HB VAL A 20 8.577 -3.128 -9.743 1.00 71.14 H new ATOM 0 HG11 VAL A 20 7.891 -0.846 -9.111 1.00 1.22 H new ATOM 0 HG12 VAL A 20 6.901 -1.496 -10.439 1.00 1.22 H new ATOM 0 HG13 VAL A 20 6.244 -1.436 -8.786 1.00 1.22 H new ATOM 0 HG21 VAL A 20 8.860 -2.358 -7.410 1.00 52.43 H new ATOM 0 HG22 VAL A 20 7.266 -3.037 -7.001 1.00 52.43 H new ATOM 0 HG23 VAL A 20 8.590 -4.115 -7.501 1.00 52.43 H new ATOM 285 N THR A 21 7.052 -4.605 -11.842 1.00 24.30 N ATOM 286 CA THR A 21 6.757 -4.617 -13.284 1.00 2.31 C ATOM 287 C THR A 21 5.338 -5.153 -13.560 1.00 12.54 C ATOM 288 O THR A 21 4.577 -4.575 -14.342 1.00 33.33 O ATOM 289 CB THR A 21 7.787 -5.476 -14.056 1.00 10.43 C ATOM 290 OG1 THR A 21 9.118 -5.022 -13.763 1.00 33.41 O ATOM 291 CG2 THR A 21 7.548 -5.417 -15.563 1.00 34.44 C ATOM 0 H THR A 21 7.887 -5.130 -11.582 1.00 24.30 H new ATOM 0 HA THR A 21 6.820 -3.586 -13.632 1.00 2.31 H new ATOM 0 HB THR A 21 7.668 -6.510 -13.733 1.00 10.43 H new ATOM 0 HG1 THR A 21 9.749 -5.434 -14.389 1.00 33.41 H new ATOM 0 HG21 THR A 21 8.290 -6.032 -16.073 1.00 34.44 H new ATOM 0 HG22 THR A 21 6.549 -5.792 -15.788 1.00 34.44 H new ATOM 0 HG23 THR A 21 7.634 -4.386 -15.905 1.00 34.44 H new ATOM 299 N GLU A 22 4.989 -6.259 -12.904 1.00 72.12 N ATOM 300 CA GLU A 22 3.644 -6.838 -13.005 1.00 22.15 C ATOM 301 C GLU A 22 2.588 -5.880 -12.431 1.00 14.43 C ATOM 302 O GLU A 22 1.511 -5.714 -13.003 1.00 64.45 O ATOM 303 CB GLU A 22 3.592 -8.184 -12.265 1.00 51.44 C ATOM 304 CG GLU A 22 4.398 -9.298 -12.932 1.00 52.03 C ATOM 305 CD GLU A 22 3.745 -9.827 -14.201 1.00 31.23 C ATOM 306 OE1 GLU A 22 4.001 -9.276 -15.291 1.00 40.34 O ATOM 307 OE2 GLU A 22 2.968 -10.804 -14.112 1.00 31.23 O ATOM 0 H GLU A 22 5.621 -6.777 -12.293 1.00 72.12 H new ATOM 0 HA GLU A 22 3.421 -7.000 -14.060 1.00 22.15 H new ATOM 0 HB2 GLU A 22 3.961 -8.042 -11.249 1.00 51.44 H new ATOM 0 HB3 GLU A 22 2.552 -8.501 -12.184 1.00 51.44 H new ATOM 0 HG2 GLU A 22 5.394 -8.925 -13.171 1.00 52.03 H new ATOM 0 HG3 GLU A 22 4.526 -10.119 -12.226 1.00 52.03 H new ATOM 314 N LEU A 23 2.917 -5.248 -11.302 1.00 55.24 N ATOM 315 CA LEU A 23 2.035 -4.252 -10.673 1.00 21.44 C ATOM 316 C LEU A 23 1.597 -3.173 -11.684 1.00 61.04 C ATOM 317 O LEU A 23 0.405 -2.898 -11.835 1.00 4.05 O ATOM 318 CB LEU A 23 2.748 -3.602 -9.476 1.00 54.34 C ATOM 319 CG LEU A 23 1.895 -2.636 -8.637 1.00 54.20 C ATOM 320 CD1 LEU A 23 0.751 -3.377 -7.950 1.00 75.01 C ATOM 321 CD2 LEU A 23 2.762 -1.919 -7.607 1.00 32.32 C ATOM 0 H LEU A 23 3.791 -5.407 -10.800 1.00 55.24 H new ATOM 0 HA LEU A 23 1.139 -4.765 -10.323 1.00 21.44 H new ATOM 0 HB2 LEU A 23 3.117 -4.393 -8.823 1.00 54.34 H new ATOM 0 HB3 LEU A 23 3.619 -3.061 -9.845 1.00 54.34 H new ATOM 0 HG LEU A 23 1.463 -1.892 -9.307 1.00 54.20 H new ATOM 0 HD11 LEU A 23 0.162 -2.673 -7.363 1.00 75.01 H new ATOM 0 HD12 LEU A 23 0.115 -3.843 -8.703 1.00 75.01 H new ATOM 0 HD13 LEU A 23 1.158 -4.146 -7.293 1.00 75.01 H new ATOM 0 HD21 LEU A 23 2.144 -1.239 -7.021 1.00 32.32 H new ATOM 0 HD22 LEU A 23 3.222 -2.652 -6.945 1.00 32.32 H new ATOM 0 HD23 LEU A 23 3.541 -1.353 -8.118 1.00 32.32 H new ATOM 333 N LEU A 24 2.565 -2.575 -12.383 1.00 10.42 N ATOM 334 CA LEU A 24 2.270 -1.595 -13.444 1.00 42.43 C ATOM 335 C LEU A 24 1.324 -2.182 -14.506 1.00 40.14 C ATOM 336 O LEU A 24 0.363 -1.531 -14.929 1.00 3.44 O ATOM 337 CB LEU A 24 3.574 -1.119 -14.115 1.00 15.12 C ATOM 338 CG LEU A 24 4.314 0.035 -13.414 1.00 1.20 C ATOM 339 CD1 LEU A 24 3.467 1.304 -13.428 1.00 14.13 C ATOM 340 CD2 LEU A 24 4.697 -0.341 -11.984 1.00 3.14 C ATOM 0 H LEU A 24 3.560 -2.748 -12.238 1.00 10.42 H new ATOM 0 HA LEU A 24 1.773 -0.745 -12.976 1.00 42.43 H new ATOM 0 HB2 LEU A 24 4.253 -1.969 -14.187 1.00 15.12 H new ATOM 0 HB3 LEU A 24 3.342 -0.809 -15.134 1.00 15.12 H new ATOM 0 HG LEU A 24 5.234 0.227 -13.967 1.00 1.20 H new ATOM 0 HD11 LEU A 24 4.007 2.108 -12.928 1.00 14.13 H new ATOM 0 HD12 LEU A 24 3.260 1.592 -14.459 1.00 14.13 H new ATOM 0 HD13 LEU A 24 2.527 1.120 -12.907 1.00 14.13 H new ATOM 0 HD21 LEU A 24 5.218 0.494 -11.515 1.00 3.14 H new ATOM 0 HD22 LEU A 24 3.797 -0.572 -11.415 1.00 3.14 H new ATOM 0 HD23 LEU A 24 5.350 -1.213 -12.000 1.00 3.14 H new ATOM 352 N SER A 25 1.601 -3.415 -14.925 1.00 72.44 N ATOM 353 CA SER A 25 0.787 -4.094 -15.945 1.00 32.11 C ATOM 354 C SER A 25 -0.626 -4.416 -15.427 1.00 22.44 C ATOM 355 O SER A 25 -1.580 -4.492 -16.200 1.00 24.52 O ATOM 356 CB SER A 25 1.477 -5.386 -16.405 1.00 53.32 C ATOM 357 OG SER A 25 0.720 -6.047 -17.407 1.00 42.33 O ATOM 0 H SER A 25 2.383 -3.969 -14.577 1.00 72.44 H new ATOM 0 HA SER A 25 0.689 -3.412 -16.790 1.00 32.11 H new ATOM 0 HB2 SER A 25 2.470 -5.153 -16.791 1.00 53.32 H new ATOM 0 HB3 SER A 25 1.614 -6.051 -15.552 1.00 53.32 H new ATOM 0 HG SER A 25 1.184 -6.865 -17.681 1.00 42.33 H new ATOM 363 N ALA A 26 -0.754 -4.601 -14.115 1.00 4.00 N ATOM 364 CA ALA A 26 -2.051 -4.888 -13.490 1.00 43.33 C ATOM 365 C ALA A 26 -2.916 -3.620 -13.373 1.00 2.42 C ATOM 366 O ALA A 26 -4.124 -3.651 -13.619 1.00 75.30 O ATOM 367 CB ALA A 26 -1.842 -5.519 -12.116 1.00 15.42 C ATOM 0 H ALA A 26 0.026 -4.558 -13.459 1.00 4.00 H new ATOM 0 HA ALA A 26 -2.584 -5.592 -14.130 1.00 43.33 H new ATOM 0 HB1 ALA A 26 -2.810 -5.728 -11.661 1.00 15.42 H new ATOM 0 HB2 ALA A 26 -1.283 -6.449 -12.224 1.00 15.42 H new ATOM 0 HB3 ALA A 26 -1.283 -4.831 -11.481 1.00 15.42 H new ATOM 373 N LEU A 27 -2.293 -2.504 -12.994 1.00 71.55 N ATOM 374 CA LEU A 27 -3.006 -1.222 -12.864 1.00 3.33 C ATOM 375 C LEU A 27 -3.176 -0.514 -14.223 1.00 32.22 C ATOM 376 O LEU A 27 -3.855 0.515 -14.313 1.00 12.40 O ATOM 377 CB LEU A 27 -2.276 -0.295 -11.873 1.00 11.42 C ATOM 378 CG LEU A 27 -2.472 -0.615 -10.378 1.00 62.44 C ATOM 379 CD1 LEU A 27 -3.941 -0.496 -9.988 1.00 71.41 C ATOM 380 CD2 LEU A 27 -1.935 -2.000 -10.027 1.00 65.11 C ATOM 0 H LEU A 27 -1.299 -2.456 -12.771 1.00 71.55 H new ATOM 0 HA LEU A 27 -4.002 -1.445 -12.480 1.00 3.33 H new ATOM 0 HB2 LEU A 27 -1.209 -0.328 -12.094 1.00 11.42 H new ATOM 0 HB3 LEU A 27 -2.607 0.728 -12.052 1.00 11.42 H new ATOM 0 HG LEU A 27 -1.901 0.118 -9.808 1.00 62.44 H new ATOM 0 HD11 LEU A 27 -4.056 -0.726 -8.929 1.00 71.41 H new ATOM 0 HD12 LEU A 27 -4.287 0.520 -10.178 1.00 71.41 H new ATOM 0 HD13 LEU A 27 -4.532 -1.197 -10.578 1.00 71.41 H new ATOM 0 HD21 LEU A 27 -2.090 -2.192 -8.965 1.00 65.11 H new ATOM 0 HD22 LEU A 27 -2.462 -2.754 -10.613 1.00 65.11 H new ATOM 0 HD23 LEU A 27 -0.869 -2.045 -10.252 1.00 65.11 H new ATOM 392 N LYS A 28 -2.547 -1.067 -15.265 1.00 11.32 N ATOM 393 CA LYS A 28 -2.664 -0.543 -16.638 1.00 52.15 C ATOM 394 C LYS A 28 -2.233 0.932 -16.725 1.00 1.12 C ATOM 395 O LYS A 28 -2.837 1.728 -17.449 1.00 24.13 O ATOM 396 CB LYS A 28 -4.107 -0.705 -17.153 1.00 50.25 C ATOM 397 CG LYS A 28 -4.644 -2.134 -17.078 1.00 2.24 C ATOM 398 CD LYS A 28 -3.761 -3.118 -17.842 1.00 31.13 C ATOM 399 CE LYS A 28 -4.278 -4.546 -17.713 1.00 51.41 C ATOM 400 NZ LYS A 28 -3.320 -5.540 -18.266 1.00 31.24 N ATOM 0 H LYS A 28 -1.944 -1.886 -15.186 1.00 11.32 H new ATOM 0 HA LYS A 28 -1.991 -1.124 -17.269 1.00 52.15 H new ATOM 0 HB2 LYS A 28 -4.762 -0.052 -16.576 1.00 50.25 H new ATOM 0 HB3 LYS A 28 -4.151 -0.366 -18.188 1.00 50.25 H new ATOM 0 HG2 LYS A 28 -4.711 -2.442 -16.034 1.00 2.24 H new ATOM 0 HG3 LYS A 28 -5.655 -2.163 -17.484 1.00 2.24 H new ATOM 0 HD2 LYS A 28 -3.726 -2.836 -18.894 1.00 31.13 H new ATOM 0 HD3 LYS A 28 -2.741 -3.063 -17.463 1.00 31.13 H new ATOM 0 HE2 LYS A 28 -4.466 -4.770 -16.663 1.00 51.41 H new ATOM 0 HE3 LYS A 28 -5.232 -4.634 -18.233 1.00 51.41 H new ATOM 0 HZ1 LYS A 28 -3.726 -6.494 -18.188 1.00 31.24 H new ATOM 0 HZ2 LYS A 28 -3.134 -5.323 -19.266 1.00 31.24 H new ATOM 0 HZ3 LYS A 28 -2.429 -5.499 -17.731 1.00 31.24 H new ATOM 414 N VAL A 29 -1.171 1.281 -16.004 1.00 30.14 N ATOM 415 CA VAL A 29 -0.682 2.661 -15.964 1.00 41.25 C ATOM 416 C VAL A 29 0.368 2.925 -17.056 1.00 71.01 C ATOM 417 O VAL A 29 1.424 2.291 -17.089 1.00 25.32 O ATOM 418 CB VAL A 29 -0.085 2.995 -14.573 1.00 45.42 C ATOM 419 CG1 VAL A 29 0.455 4.428 -14.532 1.00 11.43 C ATOM 420 CG2 VAL A 29 -1.134 2.778 -13.482 1.00 52.54 C ATOM 0 H VAL A 29 -0.630 0.628 -15.438 1.00 30.14 H new ATOM 0 HA VAL A 29 -1.539 3.309 -16.151 1.00 41.25 H new ATOM 0 HB VAL A 29 0.752 2.322 -14.390 1.00 45.42 H new ATOM 0 HG11 VAL A 29 0.867 4.633 -13.544 1.00 11.43 H new ATOM 0 HG12 VAL A 29 1.237 4.544 -15.283 1.00 11.43 H new ATOM 0 HG13 VAL A 29 -0.354 5.128 -14.740 1.00 11.43 H new ATOM 0 HG21 VAL A 29 -0.702 3.016 -12.510 1.00 52.54 H new ATOM 0 HG22 VAL A 29 -1.991 3.426 -13.667 1.00 52.54 H new ATOM 0 HG23 VAL A 29 -1.458 1.737 -13.490 1.00 52.54 H new ATOM 430 N ALA A 30 0.080 3.889 -17.928 1.00 51.15 N ATOM 431 CA ALA A 30 0.959 4.237 -19.056 1.00 74.13 C ATOM 432 C ALA A 30 2.150 5.112 -18.618 1.00 75.32 C ATOM 433 O ALA A 30 2.594 5.993 -19.360 1.00 44.11 O ATOM 434 CB ALA A 30 0.147 4.967 -20.117 1.00 44.31 C ATOM 0 H ALA A 30 -0.768 4.454 -17.878 1.00 51.15 H new ATOM 0 HA ALA A 30 1.368 3.311 -19.460 1.00 74.13 H new ATOM 0 HB1 ALA A 30 0.794 5.227 -20.955 1.00 44.31 H new ATOM 0 HB2 ALA A 30 -0.658 4.321 -20.467 1.00 44.31 H new ATOM 0 HB3 ALA A 30 -0.276 5.876 -19.690 1.00 44.31 H new ATOM 440 N GLN A 31 2.682 4.853 -17.428 1.00 65.22 N ATOM 441 CA GLN A 31 3.735 5.698 -16.847 1.00 72.25 C ATOM 442 C GLN A 31 4.879 4.868 -16.243 1.00 35.40 C ATOM 443 O GLN A 31 5.485 5.272 -15.254 1.00 10.01 O ATOM 444 CB GLN A 31 3.122 6.612 -15.772 1.00 35.00 C ATOM 445 CG GLN A 31 2.132 7.632 -16.323 1.00 24.53 C ATOM 446 CD GLN A 31 1.355 8.348 -15.233 1.00 64.30 C ATOM 447 OE1 GLN A 31 1.792 9.361 -14.706 1.00 51.10 O ATOM 448 NE2 GLN A 31 0.193 7.830 -14.895 1.00 3.13 N ATOM 0 H GLN A 31 2.405 4.065 -16.842 1.00 65.22 H new ATOM 0 HA GLN A 31 4.162 6.299 -17.650 1.00 72.25 H new ATOM 0 HB2 GLN A 31 2.618 5.995 -15.028 1.00 35.00 H new ATOM 0 HB3 GLN A 31 3.924 7.140 -15.257 1.00 35.00 H new ATOM 0 HG2 GLN A 31 2.670 8.367 -16.921 1.00 24.53 H new ATOM 0 HG3 GLN A 31 1.432 7.128 -16.990 1.00 24.53 H new ATOM 0 HE21 GLN A 31 -0.141 6.983 -15.355 1.00 3.13 H new ATOM 0 HE22 GLN A 31 -0.373 8.275 -14.173 1.00 3.13 H new ATOM 457 N ALA A 32 5.204 3.739 -16.870 1.00 64.15 N ATOM 458 CA ALA A 32 6.282 2.857 -16.386 1.00 5.32 C ATOM 459 C ALA A 32 7.629 3.601 -16.258 1.00 52.03 C ATOM 460 O ALA A 32 8.494 3.211 -15.474 1.00 42.12 O ATOM 461 CB ALA A 32 6.429 1.650 -17.310 1.00 42.53 C ATOM 0 H ALA A 32 4.740 3.407 -17.716 1.00 64.15 H new ATOM 0 HA ALA A 32 6.003 2.517 -15.388 1.00 5.32 H new ATOM 0 HB1 ALA A 32 7.228 1.006 -16.943 1.00 42.53 H new ATOM 0 HB2 ALA A 32 5.493 1.092 -17.331 1.00 42.53 H new ATOM 0 HB3 ALA A 32 6.671 1.990 -18.317 1.00 42.53 H new ATOM 467 N GLU A 33 7.798 4.666 -17.039 1.00 10.12 N ATOM 468 CA GLU A 33 9.007 5.500 -16.978 1.00 30.10 C ATOM 469 C GLU A 33 8.909 6.577 -15.878 1.00 61.15 C ATOM 470 O GLU A 33 9.921 7.057 -15.365 1.00 41.14 O ATOM 471 CB GLU A 33 9.238 6.166 -18.347 1.00 12.30 C ATOM 472 CG GLU A 33 10.429 7.121 -18.400 1.00 24.04 C ATOM 473 CD GLU A 33 11.762 6.432 -18.157 1.00 13.11 C ATOM 474 OE1 GLU A 33 12.352 5.909 -19.123 1.00 74.12 O ATOM 475 OE2 GLU A 33 12.234 6.423 -17.003 1.00 23.52 O ATOM 0 H GLU A 33 7.112 4.977 -17.727 1.00 10.12 H new ATOM 0 HA GLU A 33 9.850 4.855 -16.729 1.00 30.10 H new ATOM 0 HB2 GLU A 33 9.381 5.387 -19.095 1.00 12.30 H new ATOM 0 HB3 GLU A 33 8.338 6.714 -18.626 1.00 12.30 H new ATOM 0 HG2 GLU A 33 10.452 7.609 -19.375 1.00 24.04 H new ATOM 0 HG3 GLU A 33 10.291 7.904 -17.655 1.00 24.04 H new ATOM 482 N TYR A 34 7.684 6.949 -15.516 1.00 55.11 N ATOM 483 CA TYR A 34 7.454 8.037 -14.551 1.00 45.22 C ATOM 484 C TYR A 34 6.968 7.502 -13.194 1.00 20.31 C ATOM 485 O TYR A 34 6.804 8.264 -12.238 1.00 34.15 O ATOM 486 CB TYR A 34 6.410 9.019 -15.108 1.00 14.00 C ATOM 487 CG TYR A 34 6.615 9.374 -16.570 1.00 44.15 C ATOM 488 CD1 TYR A 34 7.585 10.294 -16.967 1.00 21.23 C ATOM 489 CD2 TYR A 34 5.835 8.780 -17.558 1.00 64.12 C ATOM 490 CE1 TYR A 34 7.762 10.611 -18.303 1.00 51.34 C ATOM 491 CE2 TYR A 34 6.008 9.092 -18.889 1.00 2.04 C ATOM 492 CZ TYR A 34 6.973 10.004 -19.260 1.00 35.11 C ATOM 493 OH TYR A 34 7.137 10.317 -20.591 1.00 12.02 O ATOM 0 H TYR A 34 6.831 6.517 -15.872 1.00 55.11 H new ATOM 0 HA TYR A 34 8.406 8.546 -14.398 1.00 45.22 H new ATOM 0 HB2 TYR A 34 5.417 8.586 -14.986 1.00 14.00 H new ATOM 0 HB3 TYR A 34 6.434 9.934 -14.516 1.00 14.00 H new ATOM 0 HD1 TYR A 34 8.207 10.766 -16.221 1.00 21.23 H new ATOM 0 HD2 TYR A 34 5.080 8.061 -17.276 1.00 64.12 H new ATOM 0 HE1 TYR A 34 8.513 11.330 -18.595 1.00 51.34 H new ATOM 0 HE2 TYR A 34 5.389 8.623 -19.640 1.00 2.04 H new ATOM 0 HH TYR A 34 6.503 9.799 -21.129 1.00 12.02 H new ATOM 503 N VAL A 35 6.742 6.193 -13.116 1.00 4.23 N ATOM 504 CA VAL A 35 6.128 5.578 -11.935 1.00 4.31 C ATOM 505 C VAL A 35 7.038 5.622 -10.688 1.00 72.41 C ATOM 506 O VAL A 35 7.834 4.715 -10.430 1.00 42.31 O ATOM 507 CB VAL A 35 5.669 4.122 -12.228 1.00 60.11 C ATOM 508 CG1 VAL A 35 6.829 3.250 -12.707 1.00 20.55 C ATOM 509 CG2 VAL A 35 4.987 3.508 -11.006 1.00 13.44 C ATOM 0 H VAL A 35 6.975 5.533 -13.858 1.00 4.23 H new ATOM 0 HA VAL A 35 5.249 6.181 -11.705 1.00 4.31 H new ATOM 0 HB VAL A 35 4.940 4.165 -13.037 1.00 60.11 H new ATOM 0 HG11 VAL A 35 6.469 2.240 -12.901 1.00 20.55 H new ATOM 0 HG12 VAL A 35 7.245 3.669 -13.623 1.00 20.55 H new ATOM 0 HG13 VAL A 35 7.602 3.218 -11.939 1.00 20.55 H new ATOM 0 HG21 VAL A 35 4.675 2.489 -11.237 1.00 13.44 H new ATOM 0 HG22 VAL A 35 5.685 3.493 -10.169 1.00 13.44 H new ATOM 0 HG23 VAL A 35 4.114 4.103 -10.739 1.00 13.44 H new ATOM 519 N THR A 36 6.925 6.705 -9.924 1.00 22.53 N ATOM 520 CA THR A 36 7.632 6.827 -8.646 1.00 71.04 C ATOM 521 C THR A 36 6.868 6.109 -7.526 1.00 52.54 C ATOM 522 O THR A 36 5.959 6.673 -6.919 1.00 43.14 O ATOM 523 CB THR A 36 7.842 8.309 -8.240 1.00 31.31 C ATOM 524 OG1 THR A 36 8.529 9.021 -9.283 1.00 20.01 O ATOM 525 CG2 THR A 36 8.643 8.418 -6.943 1.00 53.20 C ATOM 0 H THR A 36 6.351 7.513 -10.165 1.00 22.53 H new ATOM 0 HA THR A 36 8.607 6.360 -8.784 1.00 71.04 H new ATOM 0 HB THR A 36 6.858 8.751 -8.083 1.00 31.31 H new ATOM 0 HG1 THR A 36 8.653 9.955 -9.014 1.00 20.01 H new ATOM 0 HG21 THR A 36 8.774 9.469 -6.684 1.00 53.20 H new ATOM 0 HG22 THR A 36 8.107 7.910 -6.141 1.00 53.20 H new ATOM 0 HG23 THR A 36 9.619 7.953 -7.078 1.00 53.20 H new ATOM 533 N VAL A 37 7.217 4.851 -7.279 1.00 52.00 N ATOM 534 CA VAL A 37 6.606 4.082 -6.188 1.00 64.14 C ATOM 535 C VAL A 37 7.606 3.813 -5.057 1.00 40.40 C ATOM 536 O VAL A 37 8.785 3.539 -5.300 1.00 31.55 O ATOM 537 CB VAL A 37 6.030 2.732 -6.684 1.00 5.41 C ATOM 538 CG1 VAL A 37 4.816 2.961 -7.580 1.00 24.11 C ATOM 539 CG2 VAL A 37 7.096 1.915 -7.417 1.00 2.33 C ATOM 0 H VAL A 37 7.917 4.339 -7.815 1.00 52.00 H new ATOM 0 HA VAL A 37 5.790 4.695 -5.806 1.00 64.14 H new ATOM 0 HB VAL A 37 5.711 2.162 -5.812 1.00 5.41 H new ATOM 0 HG11 VAL A 37 4.427 2.001 -7.918 1.00 24.11 H new ATOM 0 HG12 VAL A 37 4.044 3.489 -7.019 1.00 24.11 H new ATOM 0 HG13 VAL A 37 5.109 3.558 -8.444 1.00 24.11 H new ATOM 0 HG21 VAL A 37 6.664 0.973 -7.754 1.00 2.33 H new ATOM 0 HG22 VAL A 37 7.457 2.477 -8.278 1.00 2.33 H new ATOM 0 HG23 VAL A 37 7.927 1.712 -6.742 1.00 2.33 H new ATOM 549 N GLU A 38 7.129 3.888 -3.819 1.00 33.42 N ATOM 550 CA GLU A 38 7.976 3.634 -2.655 1.00 30.22 C ATOM 551 C GLU A 38 7.362 2.572 -1.723 1.00 40.02 C ATOM 552 O GLU A 38 6.251 2.725 -1.215 1.00 41.11 O ATOM 553 CB GLU A 38 8.256 4.953 -1.904 1.00 13.02 C ATOM 554 CG GLU A 38 7.009 5.707 -1.446 1.00 71.25 C ATOM 555 CD GLU A 38 7.311 7.139 -1.015 1.00 45.44 C ATOM 556 OE1 GLU A 38 7.938 7.336 0.049 1.00 53.11 O ATOM 557 OE2 GLU A 38 6.939 8.081 -1.749 1.00 44.25 O ATOM 0 H GLU A 38 6.162 4.122 -3.594 1.00 33.42 H new ATOM 0 HA GLU A 38 8.925 3.230 -3.007 1.00 30.22 H new ATOM 0 HB2 GLU A 38 8.872 4.734 -1.032 1.00 13.02 H new ATOM 0 HB3 GLU A 38 8.841 5.606 -2.552 1.00 13.02 H new ATOM 0 HG2 GLU A 38 6.281 5.722 -2.257 1.00 71.25 H new ATOM 0 HG3 GLU A 38 6.550 5.171 -0.615 1.00 71.25 H new ATOM 564 N LEU A 39 8.096 1.479 -1.531 1.00 31.43 N ATOM 565 CA LEU A 39 7.674 0.388 -0.647 1.00 31.20 C ATOM 566 C LEU A 39 8.006 0.711 0.816 1.00 2.34 C ATOM 567 O LEU A 39 9.177 0.847 1.178 1.00 53.30 O ATOM 568 CB LEU A 39 8.353 -0.935 -1.063 1.00 71.03 C ATOM 569 CG LEU A 39 7.603 -1.784 -2.109 1.00 63.52 C ATOM 570 CD1 LEU A 39 6.339 -2.386 -1.501 1.00 15.11 C ATOM 571 CD2 LEU A 39 7.260 -0.963 -3.353 1.00 61.14 C ATOM 0 H LEU A 39 8.998 1.322 -1.981 1.00 31.43 H new ATOM 0 HA LEU A 39 6.594 0.276 -0.740 1.00 31.20 H new ATOM 0 HB2 LEU A 39 9.343 -0.704 -1.455 1.00 71.03 H new ATOM 0 HB3 LEU A 39 8.498 -1.542 -0.169 1.00 71.03 H new ATOM 0 HG LEU A 39 8.264 -2.594 -2.417 1.00 63.52 H new ATOM 0 HD11 LEU A 39 5.822 -2.982 -2.253 1.00 15.11 H new ATOM 0 HD12 LEU A 39 6.608 -3.021 -0.657 1.00 15.11 H new ATOM 0 HD13 LEU A 39 5.683 -1.586 -1.159 1.00 15.11 H new ATOM 0 HD21 LEU A 39 6.732 -1.592 -4.070 1.00 61.14 H new ATOM 0 HD22 LEU A 39 6.625 -0.123 -3.071 1.00 61.14 H new ATOM 0 HD23 LEU A 39 8.178 -0.588 -3.806 1.00 61.14 H new ATOM 583 N ASN A 40 6.971 0.847 1.644 1.00 40.33 N ATOM 584 CA ASN A 40 7.141 1.120 3.077 1.00 75.12 C ATOM 585 C ASN A 40 7.886 2.449 3.320 1.00 42.22 C ATOM 586 O ASN A 40 8.534 2.629 4.351 1.00 42.34 O ATOM 587 CB ASN A 40 7.890 -0.044 3.751 1.00 73.32 C ATOM 588 CG ASN A 40 7.168 -1.378 3.614 1.00 31.54 C ATOM 589 OD1 ASN A 40 6.462 -1.632 2.642 1.00 21.24 O ATOM 590 ND2 ASN A 40 7.342 -2.246 4.588 1.00 60.04 N ATOM 0 H ASN A 40 5.998 0.773 1.347 1.00 40.33 H new ATOM 0 HA ASN A 40 6.149 1.214 3.519 1.00 75.12 H new ATOM 0 HB2 ASN A 40 8.885 -0.130 3.314 1.00 73.32 H new ATOM 0 HB3 ASN A 40 8.025 0.182 4.809 1.00 73.32 H new ATOM 0 HD21 ASN A 40 6.885 -3.157 4.547 1.00 60.04 H new ATOM 0 HD22 ASN A 40 7.934 -2.008 5.384 1.00 60.04 H new ATOM 597 N GLY A 41 7.766 3.386 2.375 1.00 72.43 N ATOM 598 CA GLY A 41 8.459 4.670 2.484 1.00 14.13 C ATOM 599 C GLY A 41 9.838 4.681 1.821 1.00 24.35 C ATOM 600 O GLY A 41 10.572 5.665 1.917 1.00 42.03 O ATOM 0 H GLY A 41 7.200 3.280 1.533 1.00 72.43 H new ATOM 0 HA2 GLY A 41 7.842 5.446 2.032 1.00 14.13 H new ATOM 0 HA3 GLY A 41 8.570 4.925 3.538 1.00 14.13 H new ATOM 604 N GLU A 42 10.190 3.588 1.146 1.00 13.22 N ATOM 605 CA GLU A 42 11.488 3.476 0.464 1.00 41.11 C ATOM 606 C GLU A 42 11.310 3.385 -1.062 1.00 70.22 C ATOM 607 O GLU A 42 10.695 2.445 -1.566 1.00 14.43 O ATOM 608 CB GLU A 42 12.243 2.241 0.978 1.00 71.15 C ATOM 609 CG GLU A 42 13.593 2.009 0.303 1.00 73.40 C ATOM 610 CD GLU A 42 14.308 0.777 0.835 1.00 14.25 C ATOM 611 OE1 GLU A 42 15.020 0.893 1.854 1.00 65.12 O ATOM 612 OE2 GLU A 42 14.155 -0.310 0.243 1.00 53.33 O ATOM 0 H GLU A 42 9.597 2.763 1.054 1.00 13.22 H new ATOM 0 HA GLU A 42 12.066 4.374 0.684 1.00 41.11 H new ATOM 0 HB2 GLU A 42 12.399 2.345 2.052 1.00 71.15 H new ATOM 0 HB3 GLU A 42 11.619 1.360 0.830 1.00 71.15 H new ATOM 0 HG2 GLU A 42 13.444 1.903 -0.772 1.00 73.40 H new ATOM 0 HG3 GLU A 42 14.225 2.884 0.452 1.00 73.40 H new ATOM 619 N VAL A 43 11.845 4.364 -1.793 1.00 2.32 N ATOM 620 CA VAL A 43 11.725 4.394 -3.258 1.00 35.12 C ATOM 621 C VAL A 43 12.645 3.353 -3.928 1.00 24.10 C ATOM 622 O VAL A 43 13.787 3.151 -3.507 1.00 2.02 O ATOM 623 CB VAL A 43 12.032 5.808 -3.819 1.00 52.34 C ATOM 624 CG1 VAL A 43 13.468 6.226 -3.511 1.00 62.32 C ATOM 625 CG2 VAL A 43 11.758 5.875 -5.322 1.00 41.05 C ATOM 0 H VAL A 43 12.366 5.147 -1.399 1.00 2.32 H new ATOM 0 HA VAL A 43 10.692 4.139 -3.495 1.00 35.12 H new ATOM 0 HB VAL A 43 11.364 6.511 -3.322 1.00 52.34 H new ATOM 0 HG11 VAL A 43 13.652 7.221 -3.917 1.00 62.32 H new ATOM 0 HG12 VAL A 43 13.619 6.241 -2.432 1.00 62.32 H new ATOM 0 HG13 VAL A 43 14.159 5.515 -3.964 1.00 62.32 H new ATOM 0 HG21 VAL A 43 11.982 6.877 -5.688 1.00 41.05 H new ATOM 0 HG22 VAL A 43 12.387 5.151 -5.839 1.00 41.05 H new ATOM 0 HG23 VAL A 43 10.709 5.645 -5.511 1.00 41.05 H new ATOM 635 N LEU A 44 12.138 2.692 -4.971 1.00 54.22 N ATOM 636 CA LEU A 44 12.890 1.632 -5.663 1.00 41.52 C ATOM 637 C LEU A 44 13.515 2.125 -6.978 1.00 14.10 C ATOM 638 O LEU A 44 13.023 3.065 -7.608 1.00 4.53 O ATOM 639 CB LEU A 44 11.983 0.422 -5.960 1.00 50.45 C ATOM 640 CG LEU A 44 11.518 -0.400 -4.738 1.00 11.25 C ATOM 641 CD1 LEU A 44 12.713 -0.872 -3.911 1.00 63.25 C ATOM 642 CD2 LEU A 44 10.541 0.399 -3.878 1.00 25.41 C ATOM 0 H LEU A 44 11.211 2.869 -5.358 1.00 54.22 H new ATOM 0 HA LEU A 44 13.695 1.335 -4.991 1.00 41.52 H new ATOM 0 HB2 LEU A 44 11.099 0.778 -6.489 1.00 50.45 H new ATOM 0 HB3 LEU A 44 12.514 -0.245 -6.639 1.00 50.45 H new ATOM 0 HG LEU A 44 10.994 -1.282 -5.108 1.00 11.25 H new ATOM 0 HD11 LEU A 44 12.359 -1.448 -3.056 1.00 63.25 H new ATOM 0 HD12 LEU A 44 13.358 -1.497 -4.528 1.00 63.25 H new ATOM 0 HD13 LEU A 44 13.275 -0.008 -3.558 1.00 63.25 H new ATOM 0 HD21 LEU A 44 10.230 -0.204 -3.025 1.00 25.41 H new ATOM 0 HD22 LEU A 44 11.028 1.307 -3.522 1.00 25.41 H new ATOM 0 HD23 LEU A 44 9.667 0.665 -4.472 1.00 25.41 H new ATOM 654 N GLU A 45 14.605 1.475 -7.381 1.00 74.23 N ATOM 655 CA GLU A 45 15.238 1.731 -8.683 1.00 34.23 C ATOM 656 C GLU A 45 14.450 1.045 -9.811 1.00 15.54 C ATOM 657 O GLU A 45 13.745 0.066 -9.574 1.00 62.30 O ATOM 658 CB GLU A 45 16.686 1.203 -8.699 1.00 45.13 C ATOM 659 CG GLU A 45 17.610 1.797 -7.638 1.00 74.13 C ATOM 660 CD GLU A 45 17.249 1.370 -6.224 1.00 31.34 C ATOM 661 OE1 GLU A 45 17.283 0.156 -5.936 1.00 72.20 O ATOM 662 OE2 GLU A 45 16.917 2.245 -5.400 1.00 54.20 O ATOM 0 H GLU A 45 15.074 0.761 -6.824 1.00 74.23 H new ATOM 0 HA GLU A 45 15.242 2.809 -8.842 1.00 34.23 H new ATOM 0 HB2 GLU A 45 16.662 0.121 -8.571 1.00 45.13 H new ATOM 0 HB3 GLU A 45 17.116 1.398 -9.682 1.00 45.13 H new ATOM 0 HG2 GLU A 45 18.636 1.498 -7.850 1.00 74.13 H new ATOM 0 HG3 GLU A 45 17.575 2.885 -7.703 1.00 74.13 H new ATOM 669 N ARG A 46 14.593 1.534 -11.040 1.00 73.21 N ATOM 670 CA ARG A 46 13.937 0.909 -12.199 1.00 62.43 C ATOM 671 C ARG A 46 14.394 -0.548 -12.390 1.00 50.44 C ATOM 672 O ARG A 46 13.624 -1.400 -12.829 1.00 34.10 O ATOM 673 CB ARG A 46 14.193 1.738 -13.463 1.00 23.32 C ATOM 674 CG ARG A 46 13.415 3.050 -13.480 1.00 54.43 C ATOM 675 CD ARG A 46 13.828 3.959 -14.630 1.00 11.32 C ATOM 676 NE ARG A 46 12.990 5.154 -14.701 1.00 73.44 N ATOM 677 CZ ARG A 46 13.030 6.142 -13.844 1.00 34.13 C ATOM 678 NH1 ARG A 46 13.884 6.144 -12.871 1.00 64.33 N ATOM 679 NH2 ARG A 46 12.215 7.136 -13.974 1.00 24.00 N ATOM 0 H ARG A 46 15.153 2.356 -11.265 1.00 73.21 H new ATOM 0 HA ARG A 46 12.864 0.887 -12.009 1.00 62.43 H new ATOM 0 HB2 ARG A 46 15.259 1.952 -13.541 1.00 23.32 H new ATOM 0 HB3 ARG A 46 13.921 1.149 -14.339 1.00 23.32 H new ATOM 0 HG2 ARG A 46 12.349 2.835 -13.556 1.00 54.43 H new ATOM 0 HG3 ARG A 46 13.569 3.572 -12.536 1.00 54.43 H new ATOM 0 HD2 ARG A 46 14.870 4.252 -14.506 1.00 11.32 H new ATOM 0 HD3 ARG A 46 13.761 3.411 -15.570 1.00 11.32 H new ATOM 0 HE ARG A 46 12.327 5.223 -15.473 1.00 73.44 H new ATOM 0 HH11 ARG A 46 14.538 5.368 -12.765 1.00 64.33 H new ATOM 0 HH12 ARG A 46 13.903 6.921 -12.211 1.00 64.33 H new ATOM 0 HH21 ARG A 46 11.544 7.148 -14.742 1.00 24.00 H new ATOM 0 HH22 ARG A 46 12.242 7.908 -13.308 1.00 24.00 H new ATOM 693 N GLU A 47 15.650 -0.825 -12.049 1.00 74.23 N ATOM 694 CA GLU A 47 16.157 -2.203 -12.012 1.00 12.02 C ATOM 695 C GLU A 47 15.543 -2.973 -10.827 1.00 13.42 C ATOM 696 O GLU A 47 15.302 -4.181 -10.901 1.00 31.11 O ATOM 697 CB GLU A 47 17.689 -2.200 -11.903 1.00 10.21 C ATOM 698 CG GLU A 47 18.302 -3.596 -11.816 1.00 52.14 C ATOM 699 CD GLU A 47 19.818 -3.569 -11.712 1.00 53.43 C ATOM 700 OE1 GLU A 47 20.342 -3.315 -10.606 1.00 44.22 O ATOM 701 OE2 GLU A 47 20.497 -3.787 -12.736 1.00 65.32 O ATOM 0 H GLU A 47 16.339 -0.117 -11.794 1.00 74.23 H new ATOM 0 HA GLU A 47 15.869 -2.703 -12.937 1.00 12.02 H new ATOM 0 HB2 GLU A 47 18.105 -1.684 -12.768 1.00 10.21 H new ATOM 0 HB3 GLU A 47 17.980 -1.629 -11.021 1.00 10.21 H new ATOM 0 HG2 GLU A 47 17.892 -4.114 -10.949 1.00 52.14 H new ATOM 0 HG3 GLU A 47 18.013 -4.170 -12.696 1.00 52.14 H new ATOM 708 N ALA A 48 15.276 -2.254 -9.735 1.00 3.31 N ATOM 709 CA ALA A 48 14.698 -2.851 -8.529 1.00 31.35 C ATOM 710 C ALA A 48 13.219 -3.228 -8.719 1.00 54.01 C ATOM 711 O ALA A 48 12.657 -3.959 -7.908 1.00 63.41 O ATOM 712 CB ALA A 48 14.859 -1.908 -7.342 1.00 2.53 C ATOM 0 H ALA A 48 15.452 -1.252 -9.661 1.00 3.31 H new ATOM 0 HA ALA A 48 15.243 -3.774 -8.330 1.00 31.35 H new ATOM 0 HB1 ALA A 48 14.425 -2.365 -6.453 1.00 2.53 H new ATOM 0 HB2 ALA A 48 15.918 -1.716 -7.171 1.00 2.53 H new ATOM 0 HB3 ALA A 48 14.349 -0.968 -7.552 1.00 2.53 H new ATOM 718 N PHE A 49 12.592 -2.730 -9.788 1.00 52.45 N ATOM 719 CA PHE A 49 11.203 -3.102 -10.110 1.00 4.45 C ATOM 720 C PHE A 49 11.060 -4.625 -10.258 1.00 32.45 C ATOM 721 O PHE A 49 10.125 -5.231 -9.726 1.00 21.04 O ATOM 722 CB PHE A 49 10.726 -2.399 -11.394 1.00 60.14 C ATOM 723 CG PHE A 49 10.505 -0.907 -11.254 1.00 54.11 C ATOM 724 CD1 PHE A 49 10.796 -0.241 -10.066 1.00 41.44 C ATOM 725 CD2 PHE A 49 9.993 -0.169 -12.313 1.00 10.05 C ATOM 726 CE1 PHE A 49 10.586 1.121 -9.946 1.00 71.00 C ATOM 727 CE2 PHE A 49 9.781 1.192 -12.194 1.00 4.50 C ATOM 728 CZ PHE A 49 10.077 1.837 -11.010 1.00 62.51 C ATOM 0 H PHE A 49 13.016 -2.073 -10.443 1.00 52.45 H new ATOM 0 HA PHE A 49 10.575 -2.774 -9.282 1.00 4.45 H new ATOM 0 HB2 PHE A 49 11.460 -2.571 -12.181 1.00 60.14 H new ATOM 0 HB3 PHE A 49 9.795 -2.861 -11.721 1.00 60.14 H new ATOM 0 HD1 PHE A 49 11.191 -0.795 -9.227 1.00 41.44 H new ATOM 0 HD2 PHE A 49 9.757 -0.665 -13.243 1.00 10.05 H new ATOM 0 HE1 PHE A 49 10.820 1.624 -9.019 1.00 71.00 H new ATOM 0 HE2 PHE A 49 9.383 1.751 -13.028 1.00 4.50 H new ATOM 0 HZ PHE A 49 9.911 2.900 -10.917 1.00 62.51 H new ATOM 738 N ASP A 50 11.995 -5.233 -10.982 1.00 23.55 N ATOM 739 CA ASP A 50 12.036 -6.689 -11.132 1.00 64.21 C ATOM 740 C ASP A 50 12.728 -7.354 -9.932 1.00 1.11 C ATOM 741 O ASP A 50 12.530 -8.540 -9.667 1.00 32.33 O ATOM 742 CB ASP A 50 12.768 -7.061 -12.421 1.00 22.21 C ATOM 743 CG ASP A 50 12.122 -6.449 -13.646 1.00 4.01 C ATOM 744 OD1 ASP A 50 12.403 -5.274 -13.946 1.00 33.44 O ATOM 745 OD2 ASP A 50 11.327 -7.142 -14.314 1.00 13.53 O ATOM 0 H ASP A 50 12.738 -4.740 -11.477 1.00 23.55 H new ATOM 0 HA ASP A 50 11.009 -7.052 -11.178 1.00 64.21 H new ATOM 0 HB2 ASP A 50 13.805 -6.730 -12.356 1.00 22.21 H new ATOM 0 HB3 ASP A 50 12.786 -8.146 -12.526 1.00 22.21 H new ATOM 750 N ALA A 51 13.539 -6.582 -9.210 1.00 55.12 N ATOM 751 CA ALA A 51 14.292 -7.099 -8.057 1.00 22.41 C ATOM 752 C ALA A 51 13.594 -6.798 -6.718 1.00 61.22 C ATOM 753 O ALA A 51 14.230 -6.796 -5.664 1.00 4.22 O ATOM 754 CB ALA A 51 15.704 -6.523 -8.061 1.00 52.25 C ATOM 0 H ALA A 51 13.695 -5.592 -9.400 1.00 55.12 H new ATOM 0 HA ALA A 51 14.338 -8.184 -8.155 1.00 22.41 H new ATOM 0 HB1 ALA A 51 16.257 -6.909 -7.205 1.00 52.25 H new ATOM 0 HB2 ALA A 51 16.212 -6.811 -8.981 1.00 52.25 H new ATOM 0 HB3 ALA A 51 15.654 -5.436 -8.000 1.00 52.25 H new ATOM 760 N THR A 52 12.285 -6.554 -6.759 1.00 32.12 N ATOM 761 CA THR A 52 11.492 -6.322 -5.538 1.00 31.54 C ATOM 762 C THR A 52 10.191 -7.129 -5.562 1.00 73.40 C ATOM 763 O THR A 52 9.310 -6.881 -6.386 1.00 55.24 O ATOM 764 CB THR A 52 11.150 -4.822 -5.341 1.00 75.33 C ATOM 765 OG1 THR A 52 12.351 -4.071 -5.111 1.00 64.34 O ATOM 766 CG2 THR A 52 10.188 -4.611 -4.170 1.00 64.45 C ATOM 0 H THR A 52 11.744 -6.510 -7.623 1.00 32.12 H new ATOM 0 HA THR A 52 12.112 -6.651 -4.704 1.00 31.54 H new ATOM 0 HB THR A 52 10.662 -4.473 -6.251 1.00 75.33 H new ATOM 0 HG1 THR A 52 12.754 -3.828 -5.970 1.00 64.34 H new ATOM 0 HG21 THR A 52 9.972 -3.548 -4.063 1.00 64.45 H new ATOM 0 HG22 THR A 52 9.261 -5.152 -4.359 1.00 64.45 H new ATOM 0 HG23 THR A 52 10.645 -4.982 -3.253 1.00 64.45 H new ATOM 774 N THR A 53 10.080 -8.095 -4.654 1.00 22.53 N ATOM 775 CA THR A 53 8.879 -8.930 -4.554 1.00 41.33 C ATOM 776 C THR A 53 7.765 -8.234 -3.765 1.00 21.40 C ATOM 777 O THR A 53 7.969 -7.787 -2.633 1.00 30.40 O ATOM 778 CB THR A 53 9.184 -10.290 -3.884 1.00 32.44 C ATOM 779 OG1 THR A 53 9.797 -10.085 -2.599 1.00 61.11 O ATOM 780 CG2 THR A 53 10.098 -11.139 -4.761 1.00 63.53 C ATOM 0 H THR A 53 10.806 -8.322 -3.975 1.00 22.53 H new ATOM 0 HA THR A 53 8.543 -9.098 -5.577 1.00 41.33 H new ATOM 0 HB THR A 53 8.241 -10.820 -3.753 1.00 32.44 H new ATOM 0 HG1 THR A 53 9.984 -10.953 -2.184 1.00 61.11 H new ATOM 0 HG21 THR A 53 10.297 -12.090 -4.266 1.00 63.53 H new ATOM 0 HG22 THR A 53 9.614 -11.323 -5.720 1.00 63.53 H new ATOM 0 HG23 THR A 53 11.038 -10.612 -4.924 1.00 63.53 H new ATOM 788 N VAL A 54 6.589 -8.160 -4.376 1.00 51.11 N ATOM 789 CA VAL A 54 5.404 -7.561 -3.761 1.00 71.32 C ATOM 790 C VAL A 54 4.386 -8.663 -3.426 1.00 30.21 C ATOM 791 O VAL A 54 3.839 -9.318 -4.318 1.00 24.50 O ATOM 792 CB VAL A 54 4.753 -6.514 -4.705 1.00 75.02 C ATOM 793 CG1 VAL A 54 3.568 -5.824 -4.031 1.00 62.51 C ATOM 794 CG2 VAL A 54 5.787 -5.485 -5.169 1.00 13.03 C ATOM 0 H VAL A 54 6.426 -8.515 -5.318 1.00 51.11 H new ATOM 0 HA VAL A 54 5.710 -7.051 -2.847 1.00 71.32 H new ATOM 0 HB VAL A 54 4.378 -7.042 -5.582 1.00 75.02 H new ATOM 0 HG11 VAL A 54 3.133 -5.097 -4.716 1.00 62.51 H new ATOM 0 HG12 VAL A 54 2.817 -6.568 -3.766 1.00 62.51 H new ATOM 0 HG13 VAL A 54 3.908 -5.315 -3.129 1.00 62.51 H new ATOM 0 HG21 VAL A 54 5.309 -4.761 -5.829 1.00 13.03 H new ATOM 0 HG22 VAL A 54 6.200 -4.968 -4.303 1.00 13.03 H new ATOM 0 HG23 VAL A 54 6.589 -5.992 -5.706 1.00 13.03 H new ATOM 804 N LYS A 55 4.149 -8.875 -2.138 1.00 43.32 N ATOM 805 CA LYS A 55 3.359 -10.016 -1.670 1.00 2.33 C ATOM 806 C LYS A 55 2.514 -9.652 -0.435 1.00 74.21 C ATOM 807 O LYS A 55 2.270 -8.480 -0.160 1.00 3.25 O ATOM 808 CB LYS A 55 4.289 -11.213 -1.364 1.00 3.14 C ATOM 809 CG LYS A 55 5.341 -10.948 -0.283 1.00 34.14 C ATOM 810 CD LYS A 55 6.424 -9.970 -0.739 1.00 44.03 C ATOM 811 CE LYS A 55 7.333 -9.539 0.407 1.00 70.02 C ATOM 812 NZ LYS A 55 8.172 -8.371 0.030 1.00 43.15 N ATOM 0 H LYS A 55 4.493 -8.270 -1.392 1.00 43.32 H new ATOM 0 HA LYS A 55 2.668 -10.298 -2.464 1.00 2.33 H new ATOM 0 HB2 LYS A 55 3.677 -12.061 -1.056 1.00 3.14 H new ATOM 0 HB3 LYS A 55 4.798 -11.504 -2.283 1.00 3.14 H new ATOM 0 HG2 LYS A 55 4.850 -10.551 0.606 1.00 34.14 H new ATOM 0 HG3 LYS A 55 5.806 -11.891 0.004 1.00 34.14 H new ATOM 0 HD2 LYS A 55 7.024 -10.435 -1.521 1.00 44.03 H new ATOM 0 HD3 LYS A 55 5.954 -9.090 -1.178 1.00 44.03 H new ATOM 0 HE2 LYS A 55 6.727 -9.287 1.278 1.00 70.02 H new ATOM 0 HE3 LYS A 55 7.975 -10.371 0.696 1.00 70.02 H new ATOM 0 HZ1 LYS A 55 9.072 -8.407 0.550 1.00 43.15 H new ATOM 0 HZ2 LYS A 55 8.362 -8.396 -0.992 1.00 43.15 H new ATOM 0 HZ3 LYS A 55 7.670 -7.492 0.268 1.00 43.15 H new ATOM 826 N ASP A 56 2.057 -10.659 0.306 1.00 60.02 N ATOM 827 CA ASP A 56 1.158 -10.430 1.438 1.00 22.00 C ATOM 828 C ASP A 56 1.861 -9.696 2.599 1.00 42.21 C ATOM 829 O ASP A 56 2.509 -10.321 3.442 1.00 64.50 O ATOM 830 CB ASP A 56 0.582 -11.768 1.924 1.00 34.21 C ATOM 831 CG ASP A 56 -0.632 -11.588 2.816 1.00 20.15 C ATOM 832 OD1 ASP A 56 -0.463 -11.356 4.031 1.00 75.14 O ATOM 833 OD2 ASP A 56 -1.763 -11.663 2.303 1.00 70.42 O ATOM 0 H ASP A 56 2.292 -11.638 0.145 1.00 60.02 H new ATOM 0 HA ASP A 56 0.348 -9.787 1.094 1.00 22.00 H new ATOM 0 HB2 ASP A 56 0.309 -12.377 1.062 1.00 34.21 H new ATOM 0 HB3 ASP A 56 1.352 -12.315 2.469 1.00 34.21 H new ATOM 838 N GLY A 57 1.753 -8.367 2.619 1.00 30.12 N ATOM 839 CA GLY A 57 2.258 -7.585 3.746 1.00 1.24 C ATOM 840 C GLY A 57 3.074 -6.352 3.348 1.00 41.50 C ATOM 841 O GLY A 57 3.699 -5.722 4.205 1.00 13.31 O ATOM 0 H GLY A 57 1.325 -7.815 1.876 1.00 30.12 H new ATOM 0 HA2 GLY A 57 1.414 -7.265 4.357 1.00 1.24 H new ATOM 0 HA3 GLY A 57 2.877 -8.229 4.370 1.00 1.24 H new ATOM 845 N ASP A 58 3.066 -5.978 2.066 1.00 40.24 N ATOM 846 CA ASP A 58 3.882 -4.848 1.602 1.00 20.22 C ATOM 847 C ASP A 58 3.093 -3.532 1.591 1.00 14.13 C ATOM 848 O ASP A 58 1.986 -3.455 1.052 1.00 15.13 O ATOM 849 CB ASP A 58 4.442 -5.129 0.205 1.00 35.41 C ATOM 850 CG ASP A 58 5.436 -6.275 0.206 1.00 20.22 C ATOM 851 OD1 ASP A 58 5.001 -7.435 0.210 1.00 14.44 O ATOM 852 OD2 ASP A 58 6.661 -6.015 0.207 1.00 41.12 O ATOM 0 H ASP A 58 2.513 -6.432 1.339 1.00 40.24 H new ATOM 0 HA ASP A 58 4.705 -4.737 2.308 1.00 20.22 H new ATOM 0 HB2 ASP A 58 3.621 -5.363 -0.473 1.00 35.41 H new ATOM 0 HB3 ASP A 58 4.926 -4.231 -0.178 1.00 35.41 H new ATOM 857 N ALA A 59 3.674 -2.490 2.185 1.00 5.24 N ATOM 858 CA ALA A 59 3.071 -1.157 2.169 1.00 5.42 C ATOM 859 C ALA A 59 3.472 -0.403 0.894 1.00 54.33 C ATOM 860 O ALA A 59 4.205 0.586 0.937 1.00 32.24 O ATOM 861 CB ALA A 59 3.472 -0.370 3.417 1.00 64.33 C ATOM 0 H ALA A 59 4.562 -2.543 2.684 1.00 5.24 H new ATOM 0 HA ALA A 59 1.987 -1.267 2.173 1.00 5.42 H new ATOM 0 HB1 ALA A 59 3.014 0.619 3.387 1.00 64.33 H new ATOM 0 HB2 ALA A 59 3.132 -0.900 4.306 1.00 64.33 H new ATOM 0 HB3 ALA A 59 4.557 -0.266 3.449 1.00 64.33 H new ATOM 867 N VAL A 60 3.006 -0.903 -0.247 1.00 4.33 N ATOM 868 CA VAL A 60 3.360 -0.327 -1.545 1.00 42.12 C ATOM 869 C VAL A 60 2.643 1.011 -1.797 1.00 24.31 C ATOM 870 O VAL A 60 1.468 1.057 -2.169 1.00 2.33 O ATOM 871 CB VAL A 60 3.068 -1.325 -2.702 1.00 32.43 C ATOM 872 CG1 VAL A 60 1.621 -1.817 -2.668 1.00 35.13 C ATOM 873 CG2 VAL A 60 3.409 -0.705 -4.060 1.00 20.13 C ATOM 0 H VAL A 60 2.381 -1.707 -0.301 1.00 4.33 H new ATOM 0 HA VAL A 60 4.432 -0.129 -1.520 1.00 42.12 H new ATOM 0 HB VAL A 60 3.711 -2.193 -2.557 1.00 32.43 H new ATOM 0 HG11 VAL A 60 1.454 -2.512 -3.491 1.00 35.13 H new ATOM 0 HG12 VAL A 60 1.431 -2.323 -1.721 1.00 35.13 H new ATOM 0 HG13 VAL A 60 0.945 -0.967 -2.768 1.00 35.13 H new ATOM 0 HG21 VAL A 60 3.196 -1.423 -4.852 1.00 20.13 H new ATOM 0 HG22 VAL A 60 2.808 0.192 -4.212 1.00 20.13 H new ATOM 0 HG23 VAL A 60 4.466 -0.441 -4.084 1.00 20.13 H new ATOM 883 N GLU A 61 3.353 2.111 -1.574 1.00 3.14 N ATOM 884 CA GLU A 61 2.805 3.435 -1.848 1.00 60.54 C ATOM 885 C GLU A 61 2.815 3.732 -3.352 1.00 21.25 C ATOM 886 O GLU A 61 3.711 4.404 -3.866 1.00 42.21 O ATOM 887 CB GLU A 61 3.568 4.522 -1.077 1.00 11.22 C ATOM 888 CG GLU A 61 3.455 4.392 0.439 1.00 22.44 C ATOM 889 CD GLU A 61 4.099 5.557 1.180 1.00 35.05 C ATOM 890 OE1 GLU A 61 3.565 6.685 1.096 1.00 43.51 O ATOM 891 OE2 GLU A 61 5.137 5.355 1.846 1.00 45.41 O ATOM 0 H GLU A 61 4.304 2.113 -1.206 1.00 3.14 H new ATOM 0 HA GLU A 61 1.770 3.442 -1.505 1.00 60.54 H new ATOM 0 HB2 GLU A 61 4.620 4.484 -1.359 1.00 11.22 H new ATOM 0 HB3 GLU A 61 3.193 5.500 -1.378 1.00 11.22 H new ATOM 0 HG2 GLU A 61 2.403 4.328 0.716 1.00 22.44 H new ATOM 0 HG3 GLU A 61 3.925 3.461 0.756 1.00 22.44 H new ATOM 898 N PHE A 62 1.842 3.167 -4.062 1.00 31.21 N ATOM 899 CA PHE A 62 1.637 3.476 -5.476 1.00 14.20 C ATOM 900 C PHE A 62 1.021 4.877 -5.600 1.00 74.40 C ATOM 901 O PHE A 62 -0.188 5.053 -5.446 1.00 23.51 O ATOM 902 CB PHE A 62 0.731 2.416 -6.128 1.00 23.41 C ATOM 903 CG PHE A 62 0.713 2.469 -7.636 1.00 52.14 C ATOM 904 CD1 PHE A 62 -0.175 3.297 -8.310 1.00 13.50 C ATOM 905 CD2 PHE A 62 1.590 1.692 -8.381 1.00 3.54 C ATOM 906 CE1 PHE A 62 -0.185 3.349 -9.690 1.00 2.45 C ATOM 907 CE2 PHE A 62 1.582 1.739 -9.761 1.00 75.50 C ATOM 908 CZ PHE A 62 0.695 2.569 -10.415 1.00 50.54 C ATOM 0 H PHE A 62 1.181 2.491 -3.681 1.00 31.21 H new ATOM 0 HA PHE A 62 2.594 3.462 -5.998 1.00 14.20 H new ATOM 0 HB2 PHE A 62 1.062 1.426 -5.813 1.00 23.41 H new ATOM 0 HB3 PHE A 62 -0.286 2.545 -5.758 1.00 23.41 H new ATOM 0 HD1 PHE A 62 -0.866 3.908 -7.748 1.00 13.50 H new ATOM 0 HD2 PHE A 62 2.288 1.042 -7.874 1.00 3.54 H new ATOM 0 HE1 PHE A 62 -0.880 3.999 -10.202 1.00 2.45 H new ATOM 0 HE2 PHE A 62 2.269 1.127 -10.327 1.00 75.50 H new ATOM 0 HZ PHE A 62 0.689 2.609 -11.494 1.00 50.54 H new ATOM 918 N LEU A 63 1.869 5.871 -5.833 1.00 1.03 N ATOM 919 CA LEU A 63 1.459 7.276 -5.777 1.00 1.04 C ATOM 920 C LEU A 63 0.572 7.690 -6.958 1.00 55.40 C ATOM 921 O LEU A 63 0.829 7.335 -8.106 1.00 0.20 O ATOM 922 CB LEU A 63 2.703 8.171 -5.722 1.00 71.24 C ATOM 923 CG LEU A 63 3.642 7.913 -4.533 1.00 72.30 C ATOM 924 CD1 LEU A 63 4.856 8.836 -4.589 1.00 55.13 C ATOM 925 CD2 LEU A 63 2.893 8.072 -3.210 1.00 20.51 C ATOM 0 H LEU A 63 2.853 5.732 -6.064 1.00 1.03 H new ATOM 0 HA LEU A 63 0.860 7.400 -4.875 1.00 1.04 H new ATOM 0 HB2 LEU A 63 3.267 8.039 -6.645 1.00 71.24 H new ATOM 0 HB3 LEU A 63 2.381 9.212 -5.691 1.00 71.24 H new ATOM 0 HG LEU A 63 4.000 6.885 -4.598 1.00 72.30 H new ATOM 0 HD11 LEU A 63 5.506 8.635 -3.737 1.00 55.13 H new ATOM 0 HD12 LEU A 63 5.405 8.659 -5.514 1.00 55.13 H new ATOM 0 HD13 LEU A 63 4.526 9.874 -4.556 1.00 55.13 H new ATOM 0 HD21 LEU A 63 3.575 7.885 -2.381 1.00 20.51 H new ATOM 0 HD22 LEU A 63 2.499 9.085 -3.134 1.00 20.51 H new ATOM 0 HD23 LEU A 63 2.070 7.359 -3.170 1.00 20.51 H new ATOM 937 N TYR A 64 -0.471 8.464 -6.656 1.00 1.14 N ATOM 938 CA TYR A 64 -1.320 9.064 -7.690 1.00 31.30 C ATOM 939 C TYR A 64 -0.647 10.310 -8.288 1.00 52.01 C ATOM 940 O TYR A 64 -1.219 10.993 -9.143 1.00 73.20 O ATOM 941 CB TYR A 64 -2.690 9.448 -7.112 1.00 4.44 C ATOM 942 CG TYR A 64 -3.500 8.276 -6.591 1.00 45.02 C ATOM 943 CD1 TYR A 64 -4.262 7.492 -7.453 1.00 40.31 C ATOM 944 CD2 TYR A 64 -3.513 7.956 -5.234 1.00 63.13 C ATOM 945 CE1 TYR A 64 -5.014 6.434 -6.981 1.00 31.11 C ATOM 946 CE2 TYR A 64 -4.260 6.896 -4.757 1.00 71.22 C ATOM 947 CZ TYR A 64 -5.006 6.136 -5.636 1.00 25.21 C ATOM 948 OH TYR A 64 -5.764 5.088 -5.164 1.00 74.21 O ATOM 0 H TYR A 64 -0.750 8.692 -5.702 1.00 1.14 H new ATOM 0 HA TYR A 64 -1.462 8.324 -8.477 1.00 31.30 H new ATOM 0 HB2 TYR A 64 -2.542 10.161 -6.301 1.00 4.44 H new ATOM 0 HB3 TYR A 64 -3.266 9.958 -7.884 1.00 4.44 H new ATOM 0 HD1 TYR A 64 -4.265 7.715 -8.510 1.00 40.31 H new ATOM 0 HD2 TYR A 64 -2.929 8.547 -4.544 1.00 63.13 H new ATOM 0 HE1 TYR A 64 -5.606 5.843 -7.664 1.00 31.11 H new ATOM 0 HE2 TYR A 64 -4.260 6.663 -3.702 1.00 71.22 H new ATOM 0 HH TYR A 64 -5.646 5.010 -4.194 1.00 74.21 H new ATOM 958 N PHE A 65 0.558 10.616 -7.795 1.00 15.45 N ATOM 959 CA PHE A 65 1.375 11.726 -8.301 1.00 2.31 C ATOM 960 C PHE A 65 0.687 13.082 -8.083 1.00 34.44 C ATOM 961 O PHE A 65 1.008 14.065 -8.753 1.00 13.03 O ATOM 962 CB PHE A 65 1.701 11.517 -9.789 1.00 31.10 C ATOM 963 CG PHE A 65 2.296 10.160 -10.085 1.00 54.02 C ATOM 964 CD1 PHE A 65 3.530 9.798 -9.560 1.00 43.54 C ATOM 965 CD2 PHE A 65 1.617 9.242 -10.876 1.00 23.24 C ATOM 966 CE1 PHE A 65 4.072 8.553 -9.820 1.00 63.53 C ATOM 967 CE2 PHE A 65 2.157 7.997 -11.139 1.00 42.13 C ATOM 968 CZ PHE A 65 3.383 7.652 -10.608 1.00 21.23 C ATOM 0 H PHE A 65 0.996 10.100 -7.032 1.00 15.45 H new ATOM 0 HA PHE A 65 2.307 11.737 -7.735 1.00 2.31 H new ATOM 0 HB2 PHE A 65 0.790 11.642 -10.375 1.00 31.10 H new ATOM 0 HB3 PHE A 65 2.397 12.290 -10.113 1.00 31.10 H new ATOM 0 HD1 PHE A 65 4.073 10.497 -8.941 1.00 43.54 H new ATOM 0 HD2 PHE A 65 0.655 9.504 -11.291 1.00 23.24 H new ATOM 0 HE1 PHE A 65 5.033 8.285 -9.407 1.00 63.53 H new ATOM 0 HE2 PHE A 65 1.620 7.295 -11.759 1.00 42.13 H new ATOM 0 HZ PHE A 65 3.804 6.678 -10.809 1.00 21.23 H new ATOM 978 N MET A 66 -0.240 13.128 -7.120 1.00 11.04 N ATOM 979 CA MET A 66 -1.008 14.344 -6.811 1.00 12.35 C ATOM 980 C MET A 66 -1.739 14.904 -8.046 1.00 41.01 C ATOM 981 O MET A 66 -2.099 16.083 -8.089 1.00 43.01 O ATOM 982 CB MET A 66 -0.095 15.414 -6.184 1.00 12.41 C ATOM 983 CG MET A 66 0.343 15.089 -4.758 1.00 72.21 C ATOM 984 SD MET A 66 1.331 13.580 -4.640 1.00 13.12 S ATOM 985 CE MET A 66 2.853 14.097 -5.439 1.00 30.51 C ATOM 0 H MET A 66 -0.480 12.328 -6.534 1.00 11.04 H new ATOM 0 HA MET A 66 -1.775 14.067 -6.087 1.00 12.35 H new ATOM 0 HB2 MET A 66 0.791 15.534 -6.808 1.00 12.41 H new ATOM 0 HB3 MET A 66 -0.618 16.371 -6.185 1.00 12.41 H new ATOM 0 HG2 MET A 66 0.921 15.925 -4.363 1.00 72.21 H new ATOM 0 HG3 MET A 66 -0.541 14.987 -4.128 1.00 72.21 H new ATOM 0 HE1 MET A 66 2.996 13.524 -6.355 1.00 30.51 H new ATOM 0 HE2 MET A 66 2.795 15.158 -5.680 1.00 30.51 H new ATOM 0 HE3 MET A 66 3.694 13.923 -4.768 1.00 30.51 H new ATOM 995 N GLY A 67 -1.976 14.041 -9.036 1.00 64.21 N ATOM 996 CA GLY A 67 -2.723 14.433 -10.226 1.00 13.50 C ATOM 997 C GLY A 67 -4.111 13.811 -10.251 1.00 0.41 C ATOM 998 O GLY A 67 -4.969 14.204 -11.039 1.00 3.14 O ATOM 0 H GLY A 67 -1.662 13.071 -9.035 1.00 64.21 H new ATOM 0 HA2 GLY A 67 -2.811 15.519 -10.259 1.00 13.50 H new ATOM 0 HA3 GLY A 67 -2.173 14.130 -11.117 1.00 13.50 H new ATOM 1002 N GLY A 68 -4.322 12.829 -9.377 1.00 0.00 N ATOM 1003 CA GLY A 68 -5.615 12.168 -9.272 1.00 45.34 C ATOM 1004 C GLY A 68 -6.635 12.987 -8.485 1.00 32.25 C ATOM 1005 O GLY A 68 -6.338 13.475 -7.391 1.00 53.41 O ATOM 0 H GLY A 68 -3.614 12.476 -8.734 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.003 11.977 -10.273 1.00 45.34 H new ATOM 0 HA3 GLY A 68 -5.485 11.199 -8.791 1.00 45.34 H new ATOM 1009 N GLY A 69 -7.842 13.125 -9.030 1.00 43.42 N ATOM 1010 CA GLY A 69 -8.861 13.966 -8.411 1.00 60.05 C ATOM 1011 C GLY A 69 -9.536 13.335 -7.193 1.00 73.51 C ATOM 1012 O GLY A 69 -10.684 12.886 -7.268 1.00 61.23 O ATOM 0 H GLY A 69 -8.136 12.668 -9.893 1.00 43.42 H new ATOM 0 HA2 GLY A 69 -8.405 14.910 -8.112 1.00 60.05 H new ATOM 0 HA3 GLY A 69 -9.623 14.201 -9.154 1.00 60.05 H new ATOM 1016 N LYS A 70 -8.825 13.298 -6.065 1.00 20.42 N ATOM 1017 CA LYS A 70 -9.405 12.825 -4.801 1.00 3.54 C ATOM 1018 C LYS A 70 -10.227 13.939 -4.122 1.00 44.11 C ATOM 1019 O LYS A 70 -9.768 15.074 -3.982 1.00 53.15 O ATOM 1020 CB LYS A 70 -8.309 12.262 -3.862 1.00 72.44 C ATOM 1021 CG LYS A 70 -7.056 13.133 -3.695 1.00 24.01 C ATOM 1022 CD LYS A 70 -7.248 14.269 -2.689 1.00 34.43 C ATOM 1023 CE LYS A 70 -5.974 15.085 -2.509 1.00 63.23 C ATOM 1024 NZ LYS A 70 -4.858 14.261 -1.974 1.00 32.51 N ATOM 0 H LYS A 70 -7.849 13.588 -5.998 1.00 20.42 H new ATOM 0 HA LYS A 70 -10.089 12.006 -5.025 1.00 3.54 H new ATOM 0 HB2 LYS A 70 -8.749 12.100 -2.878 1.00 72.44 H new ATOM 0 HB3 LYS A 70 -8.002 11.286 -4.238 1.00 72.44 H new ATOM 0 HG2 LYS A 70 -6.225 12.506 -3.373 1.00 24.01 H new ATOM 0 HG3 LYS A 70 -6.781 13.554 -4.662 1.00 24.01 H new ATOM 0 HD2 LYS A 70 -8.053 14.922 -3.027 1.00 34.43 H new ATOM 0 HD3 LYS A 70 -7.554 13.856 -1.728 1.00 34.43 H new ATOM 0 HE2 LYS A 70 -5.681 15.516 -3.466 1.00 63.23 H new ATOM 0 HE3 LYS A 70 -6.168 15.917 -1.832 1.00 63.23 H new ATOM 0 HZ1 LYS A 70 -4.101 14.885 -1.629 1.00 32.51 H new ATOM 0 HZ2 LYS A 70 -5.206 13.672 -1.190 1.00 32.51 H new ATOM 0 HZ3 LYS A 70 -4.486 13.649 -2.728 1.00 32.51 H new ATOM 1038 N LEU A 71 -11.460 13.621 -3.729 1.00 2.01 N ATOM 1039 CA LEU A 71 -12.374 14.627 -3.172 1.00 33.45 C ATOM 1040 C LEU A 71 -12.907 14.217 -1.792 1.00 61.34 C ATOM 1041 O LEU A 71 -13.249 13.053 -1.566 1.00 61.30 O ATOM 1042 CB LEU A 71 -13.560 14.839 -4.125 1.00 21.34 C ATOM 1043 CG LEU A 71 -13.194 15.234 -5.568 1.00 1.35 C ATOM 1044 CD1 LEU A 71 -14.446 15.318 -6.437 1.00 70.14 C ATOM 1045 CD2 LEU A 71 -12.428 16.557 -5.597 1.00 41.23 C ATOM 0 H LEU A 71 -11.851 12.680 -3.784 1.00 2.01 H new ATOM 0 HA LEU A 71 -11.809 15.552 -3.058 1.00 33.45 H new ATOM 0 HB2 LEU A 71 -14.146 13.920 -4.157 1.00 21.34 H new ATOM 0 HB3 LEU A 71 -14.204 15.613 -3.708 1.00 21.34 H new ATOM 0 HG LEU A 71 -12.544 14.459 -5.975 1.00 1.35 H new ATOM 0 HD11 LEU A 71 -14.166 15.598 -7.452 1.00 70.14 H new ATOM 0 HD12 LEU A 71 -14.944 14.348 -6.452 1.00 70.14 H new ATOM 0 HD13 LEU A 71 -15.123 16.067 -6.028 1.00 70.14 H new ATOM 0 HD21 LEU A 71 -12.182 16.812 -6.628 1.00 41.23 H new ATOM 0 HD22 LEU A 71 -13.046 17.345 -5.165 1.00 41.23 H new ATOM 0 HD23 LEU A 71 -11.509 16.458 -5.018 1.00 41.23 H new ATOM 1057 N GLU A 72 -12.977 15.176 -0.868 1.00 33.51 N ATOM 1058 CA GLU A 72 -13.646 14.951 0.415 1.00 32.53 C ATOM 1059 C GLU A 72 -15.142 14.717 0.178 1.00 34.33 C ATOM 1060 O GLU A 72 -15.793 15.492 -0.519 1.00 2.21 O ATOM 1061 CB GLU A 72 -13.439 16.143 1.364 1.00 35.43 C ATOM 1062 CG GLU A 72 -11.991 16.351 1.816 1.00 1.21 C ATOM 1063 CD GLU A 72 -11.048 16.717 0.677 1.00 1.42 C ATOM 1064 OE1 GLU A 72 -11.363 17.660 -0.078 1.00 41.14 O ATOM 1065 OE2 GLU A 72 -9.983 16.075 0.539 1.00 64.11 O ATOM 0 H GLU A 72 -12.582 16.110 -0.982 1.00 33.51 H new ATOM 0 HA GLU A 72 -13.209 14.070 0.885 1.00 32.53 H new ATOM 0 HB2 GLU A 72 -13.785 17.050 0.869 1.00 35.43 H new ATOM 0 HB3 GLU A 72 -14.065 16.002 2.245 1.00 35.43 H new ATOM 0 HG2 GLU A 72 -11.963 17.139 2.569 1.00 1.21 H new ATOM 0 HG3 GLU A 72 -11.633 15.440 2.295 1.00 1.21 H new ATOM 1072 N HIS A 73 -15.687 13.651 0.754 1.00 31.40 N ATOM 1073 CA HIS A 73 -17.053 13.230 0.431 1.00 12.35 C ATOM 1074 C HIS A 73 -18.106 14.241 0.926 1.00 52.04 C ATOM 1075 O HIS A 73 -19.216 14.293 0.397 1.00 51.22 O ATOM 1076 CB HIS A 73 -17.331 11.834 0.998 1.00 35.25 C ATOM 1077 CG HIS A 73 -18.436 11.115 0.287 1.00 1.21 C ATOM 1078 ND1 HIS A 73 -18.243 10.425 -0.891 1.00 31.50 N ATOM 1079 CD2 HIS A 73 -19.751 10.989 0.581 1.00 22.31 C ATOM 1080 CE1 HIS A 73 -19.387 9.907 -1.289 1.00 64.00 C ATOM 1081 NE2 HIS A 73 -20.316 10.234 -0.414 1.00 2.11 N ATOM 0 H HIS A 73 -15.213 13.065 1.441 1.00 31.40 H new ATOM 0 HA HIS A 73 -17.134 13.192 -0.655 1.00 12.35 H new ATOM 0 HB2 HIS A 73 -16.421 11.237 0.938 1.00 35.25 H new ATOM 0 HB3 HIS A 73 -17.585 11.922 2.054 1.00 35.25 H new ATOM 0 HD2 HIS A 73 -20.260 11.405 1.438 1.00 22.31 H new ATOM 0 HE1 HIS A 73 -19.538 9.316 -2.180 1.00 64.00 H new ATOM 0 HE2 HIS A 73 -21.299 9.968 -0.468 1.00 2.11 H new ATOM 1090 N HIS A 74 -17.752 15.023 1.952 1.00 25.01 N ATOM 1091 CA HIS A 74 -18.602 16.122 2.452 1.00 35.51 C ATOM 1092 C HIS A 74 -19.996 15.652 2.921 1.00 33.34 C ATOM 1093 O HIS A 74 -20.925 16.457 3.027 1.00 64.42 O ATOM 1094 CB HIS A 74 -18.755 17.207 1.375 1.00 24.55 C ATOM 1095 CG HIS A 74 -17.482 17.935 1.052 1.00 24.24 C ATOM 1096 ND1 HIS A 74 -16.864 17.869 -0.180 1.00 40.23 N ATOM 1097 CD2 HIS A 74 -16.721 18.766 1.802 1.00 22.24 C ATOM 1098 CE1 HIS A 74 -15.785 18.623 -0.171 1.00 2.42 C ATOM 1099 NE2 HIS A 74 -15.674 19.178 1.016 1.00 30.43 N ATOM 0 H HIS A 74 -16.874 14.917 2.460 1.00 25.01 H new ATOM 0 HA HIS A 74 -18.095 16.529 3.327 1.00 35.51 H new ATOM 0 HB2 HIS A 74 -19.139 16.748 0.464 1.00 24.55 H new ATOM 0 HB3 HIS A 74 -19.500 17.930 1.706 1.00 24.55 H new ATOM 0 HD1 HIS A 74 -17.193 17.321 -0.975 1.00 40.23 H new ATOM 0 HD2 HIS A 74 -16.904 19.052 2.827 1.00 22.24 H new ATOM 0 HE1 HIS A 74 -15.106 18.762 -0.999 1.00 2.42 H new ATOM 1108 N HIS A 75 -20.143 14.362 3.215 1.00 34.14 N ATOM 1109 CA HIS A 75 -21.421 13.838 3.708 1.00 42.40 C ATOM 1110 C HIS A 75 -21.711 14.354 5.127 1.00 15.24 C ATOM 1111 O HIS A 75 -20.962 14.072 6.063 1.00 53.43 O ATOM 1112 CB HIS A 75 -21.423 12.304 3.691 1.00 55.31 C ATOM 1113 CG HIS A 75 -22.728 11.709 4.129 1.00 30.42 C ATOM 1114 ND1 HIS A 75 -23.838 11.653 3.316 1.00 22.44 N ATOM 1115 CD2 HIS A 75 -23.096 11.147 5.303 1.00 20.40 C ATOM 1116 CE1 HIS A 75 -24.831 11.085 3.970 1.00 43.34 C ATOM 1117 NE2 HIS A 75 -24.408 10.766 5.176 1.00 34.30 N ATOM 0 H HIS A 75 -19.404 13.665 3.123 1.00 34.14 H new ATOM 0 HA HIS A 75 -22.208 14.193 3.043 1.00 42.40 H new ATOM 0 HB2 HIS A 75 -21.194 11.958 2.683 1.00 55.31 H new ATOM 0 HB3 HIS A 75 -20.628 11.939 4.342 1.00 55.31 H new ATOM 0 HD2 HIS A 75 -22.474 11.022 6.177 1.00 20.40 H new ATOM 0 HE1 HIS A 75 -25.824 10.910 3.583 1.00 43.34 H new ATOM 0 HE2 HIS A 75 -24.965 10.310 5.898 1.00 34.30 H new ATOM 1126 N HIS A 76 -22.797 15.108 5.279 1.00 43.41 N ATOM 1127 CA HIS A 76 -23.150 15.690 6.577 1.00 1.31 C ATOM 1128 C HIS A 76 -23.431 14.601 7.622 1.00 12.53 C ATOM 1129 O HIS A 76 -24.211 13.675 7.382 1.00 15.45 O ATOM 1130 CB HIS A 76 -24.353 16.626 6.435 1.00 10.22 C ATOM 1131 CG HIS A 76 -24.065 17.830 5.590 1.00 74.14 C ATOM 1132 ND1 HIS A 76 -24.939 18.320 4.645 1.00 50.44 N ATOM 1133 CD2 HIS A 76 -22.988 18.655 5.561 1.00 2.44 C ATOM 1134 CE1 HIS A 76 -24.416 19.388 4.075 1.00 2.23 C ATOM 1135 NE2 HIS A 76 -23.236 19.609 4.612 1.00 1.34 N ATOM 0 H HIS A 76 -23.447 15.331 4.525 1.00 43.41 H new ATOM 0 HA HIS A 76 -22.296 16.271 6.926 1.00 1.31 H new ATOM 0 HB2 HIS A 76 -25.186 16.074 5.999 1.00 10.22 H new ATOM 0 HB3 HIS A 76 -24.671 16.952 7.425 1.00 10.22 H new ATOM 0 HD2 HIS A 76 -22.101 18.574 6.172 1.00 2.44 H new ATOM 0 HE1 HIS A 76 -24.878 19.980 3.299 1.00 2.23 H new ATOM 0 HE2 HIS A 76 -22.606 20.371 4.361 1.00 1.34 H new ATOM 1144 N HIS A 77 -22.786 14.720 8.780 1.00 51.34 N ATOM 1145 CA HIS A 77 -22.870 13.695 9.825 1.00 75.43 C ATOM 1146 C HIS A 77 -22.634 14.295 11.221 1.00 22.30 C ATOM 1147 O HIS A 77 -21.788 15.173 11.396 1.00 24.10 O ATOM 1148 CB HIS A 77 -21.839 12.594 9.539 1.00 22.21 C ATOM 1149 CG HIS A 77 -21.887 11.440 10.495 1.00 74.15 C ATOM 1150 ND1 HIS A 77 -21.012 11.300 11.550 1.00 62.02 N ATOM 1151 CD2 HIS A 77 -22.697 10.356 10.540 1.00 21.21 C ATOM 1152 CE1 HIS A 77 -21.279 10.184 12.195 1.00 14.35 C ATOM 1153 NE2 HIS A 77 -22.295 9.591 11.607 1.00 4.01 N ATOM 0 H HIS A 77 -22.197 15.517 9.022 1.00 51.34 H new ATOM 0 HA HIS A 77 -23.874 13.271 9.815 1.00 75.43 H new ATOM 0 HB2 HIS A 77 -21.996 12.219 8.528 1.00 22.21 H new ATOM 0 HB3 HIS A 77 -20.841 13.031 9.566 1.00 22.21 H new ATOM 0 HD2 HIS A 77 -23.508 10.134 9.863 1.00 21.21 H new ATOM 0 HE1 HIS A 77 -20.751 9.816 13.063 1.00 14.35 H new ATOM 0 HE2 HIS A 77 -22.715 8.708 11.896 1.00 4.01 H new ATOM 1162 N HIS A 78 -23.386 13.813 12.212 1.00 44.41 N ATOM 1163 CA HIS A 78 -23.248 14.286 13.597 1.00 73.53 C ATOM 1164 C HIS A 78 -22.010 13.675 14.284 1.00 11.15 C ATOM 1165 O HIS A 78 -22.042 12.474 14.635 1.00 37.01 O ATOM 1166 CB HIS A 78 -24.521 13.977 14.402 1.00 4.53 C ATOM 1167 CG HIS A 78 -25.703 14.811 13.998 1.00 2.24 C ATOM 1168 ND1 HIS A 78 -26.266 15.773 14.810 1.00 2.23 N ATOM 1169 CD2 HIS A 78 -26.430 14.824 12.856 1.00 51.14 C ATOM 1170 CE1 HIS A 78 -27.281 16.336 14.189 1.00 25.20 C ATOM 1171 NE2 HIS A 78 -27.402 15.780 13.004 1.00 61.10 N ATOM 1172 OXT HIS A 78 -21.012 14.408 14.475 1.00 37.01 O ATOM 0 H HIS A 78 -24.099 13.094 12.084 1.00 44.41 H new ATOM 0 HA HIS A 78 -23.108 15.367 13.565 1.00 73.53 H new ATOM 0 HB2 HIS A 78 -24.771 12.923 14.280 1.00 4.53 H new ATOM 0 HB3 HIS A 78 -24.319 14.136 15.461 1.00 4.53 H new ATOM 0 HD2 HIS A 78 -26.274 14.198 11.990 1.00 51.14 H new ATOM 0 HE1 HIS A 78 -27.908 17.121 14.586 1.00 25.20 H new ATOM 0 HE2 HIS A 78 -28.106 16.021 12.306 1.00 61.10 H new TER 1181 HIS A 78