USER MOD reduce.3.24.130724 H: found=0, std=0, add=1145, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1145 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 71 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 83 CYS SG : rot 66:sc= -4.16! USER MOD Set 2.1: A 14 SER OG : rot -118:sc= 1.96 USER MOD Set 2.2: A 53 HIS : no HD1:sc= 0.101 K(o=2.1,f=-4.7!) USER MOD Single : A 1 VAL N :NH3+ 171:sc= -0.0233 (180deg=-0.25) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 158:sc= 1.67 (180deg=1.28) USER MOD Single : A 8 SER OG : rot -7:sc= 0.64 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.846 K(o=-0.85,f=-0.0057) USER MOD Single : A 18 GLN : amide:sc= -3.31! C(o=-3.3!,f=-8.2!) USER MOD Single : A 21 LYS NZ :NH3+ -147:sc= 0.868 (180deg=-0.0893) USER MOD Single : A 29 THR OG1 : rot 80:sc= 0.544 USER MOD Single : A 33 ASN : amide:sc= -0.311 K(o=-0.31,f=-3.2!) USER MOD Single : A 34 HIS : no HE2:sc= 0.312 K(o=0.31,f=-1.5) USER MOD Single : A 35 SER OG : rot 180:sc= 0.00589 USER MOD Single : A 37 LYS NZ :NH3+ -124:sc= 0.717 (180deg=0) USER MOD Single : A 39 HIS : no HD1:sc= -0.891 K(o=-0.89,f=-0.32) USER MOD Single : A 40 MET CE :methyl 176:sc= -2.38! (180deg=-2.4!) USER MOD Single : A 43 MET CE :methyl 154:sc=-0.000344 (180deg=-0.836) USER MOD Single : A 51 TYR OH : rot -167:sc= 1.08 USER MOD Single : A 52 TYR OH : rot 180:sc=-0.00025 USER MOD Single : A 54 SER OG : rot -137:sc= 1.23 USER MOD Single : A 55 ASN : amide:sc= -2.55! K(o=-2.5!,f=-0.29) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -40:sc= 0.0179 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -127:sc= 0.7 (180deg=-0.0717) USER MOD Single : A 90 LYS NZ :NH3+ 131:sc= -2.17! (180deg=-4.85!) USER MOD Single : A 93 LYS NZ :NH3+ -159:sc= -0.0711 (180deg=-0.464) USER MOD Single : A 94 THR OG1 : rot 40:sc= 0.767 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -161:sc= 1.3 (180deg=0.786) USER MOD Single : A 110 MET CE :methyl -115:sc= -1.44 (180deg=-3.58!) USER MOD Single : A 113 MET CE :methyl -119:sc= -1.47 (180deg=-1.85) USER MOD Single : A 114 LYS NZ :NH3+ 150:sc= 1.82 (180deg=1.07) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot -25:sc= 0.12 USER MOD Single : A 119 SER OG : rot 180:sc= 0.0159 USER MOD Single : A 121 GLN : amide:sc= -4.48! C(o=-4.5!,f=-6.6!) USER MOD Single : A 124 THR OG1 : rot -75:sc= 1.03 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 CYS SG : rot 71:sc= 1.25 USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 MET CE :methyl -152:sc= -0.889 (180deg=-2.02!) USER MOD Single : A 140 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 141 HIS : no HD1:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 142 HIS : no HE2:sc= 0.71 K(o=0.71,f=-3.1!) USER MOD Single : A 143 HIS : no HD1:sc= -0.0152 X(o=-0.015,f=0) USER MOD Single : A 144 HIS : no HD1:sc= 1.09 K(o=1.1,f=-5.8!) USER MOD Single : A 145 HIS : no HD1:sc= -0.0163 X(o=-0.016,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 119.682 3.505 -10.821 1.00 0.00 N ATOM 2 CA VAL A 1 119.866 4.979 -10.815 1.00 0.00 C ATOM 3 C VAL A 1 118.685 5.691 -10.152 1.00 0.00 C ATOM 4 O VAL A 1 118.819 6.816 -9.674 1.00 0.00 O ATOM 5 CB VAL A 1 120.054 5.537 -12.236 1.00 0.00 C ATOM 6 CG1 VAL A 1 121.348 5.024 -12.852 1.00 0.00 C ATOM 7 CG2 VAL A 1 118.863 5.173 -13.097 1.00 0.00 C ATOM 0 H1 VAL A 1 120.420 3.065 -11.408 1.00 0.00 H new ATOM 0 H2 VAL A 1 119.751 3.143 -9.849 1.00 0.00 H new ATOM 0 H3 VAL A 1 118.746 3.274 -11.211 1.00 0.00 H new ATOM 0 HA VAL A 1 120.770 5.171 -10.237 1.00 0.00 H new ATOM 0 HB VAL A 1 120.122 6.623 -12.179 1.00 0.00 H new ATOM 0 HG11 VAL A 1 121.459 5.432 -13.857 1.00 0.00 H new ATOM 0 HG12 VAL A 1 122.192 5.337 -12.238 1.00 0.00 H new ATOM 0 HG13 VAL A 1 121.320 3.936 -12.903 1.00 0.00 H new ATOM 0 HG21 VAL A 1 119.005 5.572 -14.101 1.00 0.00 H new ATOM 0 HG22 VAL A 1 118.769 4.088 -13.148 1.00 0.00 H new ATOM 0 HG23 VAL A 1 117.957 5.596 -12.663 1.00 0.00 H new ATOM 19 N ALA A 2 117.521 5.057 -10.155 1.00 0.00 N ATOM 20 CA ALA A 2 116.381 5.571 -9.418 1.00 0.00 C ATOM 21 C ALA A 2 116.403 4.976 -8.024 1.00 0.00 C ATOM 22 O ALA A 2 116.770 3.814 -7.848 1.00 0.00 O ATOM 23 CB ALA A 2 115.077 5.252 -10.135 1.00 0.00 C ATOM 0 H ALA A 2 117.344 4.188 -10.659 1.00 0.00 H new ATOM 0 HA ALA A 2 116.446 6.657 -9.351 1.00 0.00 H new ATOM 0 HB1 ALA A 2 114.240 5.649 -9.561 1.00 0.00 H new ATOM 0 HB2 ALA A 2 115.086 5.707 -11.125 1.00 0.00 H new ATOM 0 HB3 ALA A 2 114.970 4.172 -10.233 1.00 0.00 H new ATOM 29 N TYR A 3 116.050 5.768 -7.030 1.00 0.00 N ATOM 30 CA TYR A 3 116.204 5.339 -5.653 1.00 0.00 C ATOM 31 C TYR A 3 114.869 5.386 -4.929 1.00 0.00 C ATOM 32 O TYR A 3 114.049 6.274 -5.167 1.00 0.00 O ATOM 33 CB TYR A 3 117.271 6.196 -4.970 1.00 0.00 C ATOM 34 CG TYR A 3 118.559 6.228 -5.770 1.00 0.00 C ATOM 35 CD1 TYR A 3 119.175 5.045 -6.164 1.00 0.00 C ATOM 36 CD2 TYR A 3 119.131 7.429 -6.172 1.00 0.00 C ATOM 37 CE1 TYR A 3 120.323 5.056 -6.928 1.00 0.00 C ATOM 38 CE2 TYR A 3 120.281 7.446 -6.945 1.00 0.00 C ATOM 39 CZ TYR A 3 120.872 6.256 -7.316 1.00 0.00 C ATOM 40 OH TYR A 3 122.009 6.262 -8.089 1.00 0.00 O ATOM 0 H TYR A 3 115.659 6.703 -7.147 1.00 0.00 H new ATOM 0 HA TYR A 3 116.540 4.302 -5.622 1.00 0.00 H new ATOM 0 HB2 TYR A 3 116.896 7.212 -4.843 1.00 0.00 H new ATOM 0 HB3 TYR A 3 117.471 5.803 -3.973 1.00 0.00 H new ATOM 0 HD1 TYR A 3 118.746 4.100 -5.866 1.00 0.00 H new ATOM 0 HD2 TYR A 3 118.673 8.362 -5.878 1.00 0.00 H new ATOM 0 HE1 TYR A 3 120.789 4.127 -7.220 1.00 0.00 H new ATOM 0 HE2 TYR A 3 120.712 8.386 -7.255 1.00 0.00 H new ATOM 0 HH TYR A 3 122.270 7.187 -8.279 1.00 0.00 H new ATOM 50 N TRP A 4 114.637 4.396 -4.080 1.00 0.00 N ATOM 51 CA TRP A 4 113.336 4.217 -3.460 1.00 0.00 C ATOM 52 C TRP A 4 113.478 3.876 -1.981 1.00 0.00 C ATOM 53 O TRP A 4 114.587 3.719 -1.468 1.00 0.00 O ATOM 54 CB TRP A 4 112.570 3.090 -4.170 1.00 0.00 C ATOM 55 CG TRP A 4 112.636 3.161 -5.666 1.00 0.00 C ATOM 56 CD1 TRP A 4 113.497 2.476 -6.478 1.00 0.00 C ATOM 57 CD2 TRP A 4 111.826 3.965 -6.530 1.00 0.00 C ATOM 58 NE1 TRP A 4 113.269 2.804 -7.790 1.00 0.00 N ATOM 59 CE2 TRP A 4 112.249 3.715 -7.850 1.00 0.00 C ATOM 60 CE3 TRP A 4 110.785 4.870 -6.318 1.00 0.00 C ATOM 61 CZ2 TRP A 4 111.663 4.337 -8.950 1.00 0.00 C ATOM 62 CZ3 TRP A 4 110.207 5.486 -7.407 1.00 0.00 C ATOM 63 CH2 TRP A 4 110.646 5.218 -8.710 1.00 0.00 C ATOM 0 H TRP A 4 115.335 3.704 -3.805 1.00 0.00 H new ATOM 0 HA TRP A 4 112.785 5.153 -3.551 1.00 0.00 H new ATOM 0 HB2 TRP A 4 112.970 2.130 -3.843 1.00 0.00 H new ATOM 0 HB3 TRP A 4 111.526 3.122 -3.860 1.00 0.00 H new ATOM 0 HD1 TRP A 4 114.247 1.778 -6.136 1.00 0.00 H new ATOM 0 HE1 TRP A 4 113.777 2.430 -8.591 1.00 0.00 H new ATOM 0 HE3 TRP A 4 110.438 5.084 -5.318 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 112.000 4.131 -9.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 109.401 6.188 -7.253 1.00 0.00 H new ATOM 0 HH2 TRP A 4 110.171 5.718 -9.542 1.00 0.00 H new ATOM 74 N LEU A 5 112.350 3.766 -1.304 1.00 0.00 N ATOM 75 CA LEU A 5 112.318 3.331 0.082 1.00 0.00 C ATOM 76 C LEU A 5 111.200 2.314 0.241 1.00 0.00 C ATOM 77 O LEU A 5 110.038 2.617 -0.034 1.00 0.00 O ATOM 78 CB LEU A 5 112.101 4.533 1.017 1.00 0.00 C ATOM 79 CG LEU A 5 112.517 4.337 2.484 1.00 0.00 C ATOM 80 CD1 LEU A 5 112.524 5.673 3.207 1.00 0.00 C ATOM 81 CD2 LEU A 5 111.588 3.369 3.204 1.00 0.00 C ATOM 0 H LEU A 5 111.432 3.975 -1.697 1.00 0.00 H new ATOM 0 HA LEU A 5 113.270 2.873 0.351 1.00 0.00 H new ATOM 0 HB2 LEU A 5 112.652 5.383 0.615 1.00 0.00 H new ATOM 0 HB3 LEU A 5 111.044 4.799 0.993 1.00 0.00 H new ATOM 0 HG LEU A 5 113.521 3.912 2.490 1.00 0.00 H new ATOM 0 HD11 LEU A 5 112.820 5.523 4.245 1.00 0.00 H new ATOM 0 HD12 LEU A 5 113.231 6.346 2.722 1.00 0.00 H new ATOM 0 HD13 LEU A 5 111.526 6.110 3.174 1.00 0.00 H new ATOM 0 HD21 LEU A 5 111.912 3.255 4.238 1.00 0.00 H new ATOM 0 HD22 LEU A 5 110.570 3.759 3.184 1.00 0.00 H new ATOM 0 HD23 LEU A 5 111.615 2.400 2.706 1.00 0.00 H new ATOM 93 N VAL A 6 111.551 1.108 0.656 1.00 0.00 N ATOM 94 CA VAL A 6 110.571 0.046 0.808 1.00 0.00 C ATOM 95 C VAL A 6 110.446 -0.369 2.266 1.00 0.00 C ATOM 96 O VAL A 6 111.388 -0.223 3.054 1.00 0.00 O ATOM 97 CB VAL A 6 110.915 -1.191 -0.054 1.00 0.00 C ATOM 98 CG1 VAL A 6 110.861 -0.847 -1.534 1.00 0.00 C ATOM 99 CG2 VAL A 6 112.280 -1.754 0.317 1.00 0.00 C ATOM 0 H VAL A 6 112.506 0.840 0.893 1.00 0.00 H new ATOM 0 HA VAL A 6 109.618 0.446 0.461 1.00 0.00 H new ATOM 0 HB VAL A 6 110.168 -1.959 0.148 1.00 0.00 H new ATOM 0 HG11 VAL A 6 111.106 -1.731 -2.122 1.00 0.00 H new ATOM 0 HG12 VAL A 6 109.858 -0.506 -1.792 1.00 0.00 H new ATOM 0 HG13 VAL A 6 111.580 -0.057 -1.750 1.00 0.00 H new ATOM 0 HG21 VAL A 6 112.496 -2.623 -0.304 1.00 0.00 H new ATOM 0 HG22 VAL A 6 113.044 -0.993 0.155 1.00 0.00 H new ATOM 0 HG23 VAL A 6 112.279 -2.050 1.366 1.00 0.00 H new ATOM 109 N LYS A 7 109.280 -0.884 2.616 1.00 0.00 N ATOM 110 CA LYS A 7 109.027 -1.343 3.968 1.00 0.00 C ATOM 111 C LYS A 7 109.312 -2.825 4.084 1.00 0.00 C ATOM 112 O LYS A 7 109.088 -3.587 3.144 1.00 0.00 O ATOM 113 CB LYS A 7 107.578 -1.082 4.371 1.00 0.00 C ATOM 114 CG LYS A 7 107.251 0.378 4.616 1.00 0.00 C ATOM 115 CD LYS A 7 105.813 0.531 5.064 1.00 0.00 C ATOM 116 CE LYS A 7 105.510 1.942 5.528 1.00 0.00 C ATOM 117 NZ LYS A 7 104.116 2.057 6.031 1.00 0.00 N ATOM 0 H LYS A 7 108.491 -0.994 1.979 1.00 0.00 H new ATOM 0 HA LYS A 7 109.688 -0.789 4.635 1.00 0.00 H new ATOM 0 HB2 LYS A 7 106.922 -1.463 3.589 1.00 0.00 H new ATOM 0 HB3 LYS A 7 107.357 -1.648 5.276 1.00 0.00 H new ATOM 0 HG2 LYS A 7 107.920 0.784 5.375 1.00 0.00 H new ATOM 0 HG3 LYS A 7 107.417 0.952 3.704 1.00 0.00 H new ATOM 0 HD2 LYS A 7 105.147 0.269 4.242 1.00 0.00 H new ATOM 0 HD3 LYS A 7 105.609 -0.169 5.874 1.00 0.00 H new ATOM 0 HE2 LYS A 7 106.208 2.226 6.316 1.00 0.00 H new ATOM 0 HE3 LYS A 7 105.660 2.639 4.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 104.042 2.878 6.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 103.466 2.180 5.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 103.863 1.193 6.552 1.00 0.00 H new ATOM 131 N SER A 8 109.821 -3.225 5.230 1.00 0.00 N ATOM 132 CA SER A 8 110.097 -4.614 5.498 1.00 0.00 C ATOM 133 C SER A 8 109.735 -4.950 6.939 1.00 0.00 C ATOM 134 O SER A 8 110.563 -4.812 7.844 1.00 0.00 O ATOM 135 CB SER A 8 111.577 -4.910 5.222 1.00 0.00 C ATOM 136 OG SER A 8 111.889 -6.282 5.393 1.00 0.00 O ATOM 0 H SER A 8 110.053 -2.596 5.998 1.00 0.00 H new ATOM 0 HA SER A 8 109.490 -5.237 4.841 1.00 0.00 H new ATOM 0 HB2 SER A 8 111.823 -4.607 4.204 1.00 0.00 H new ATOM 0 HB3 SER A 8 112.196 -4.312 5.891 1.00 0.00 H new ATOM 0 HG SER A 8 111.111 -6.751 5.760 1.00 0.00 H new ATOM 142 N GLU A 9 108.478 -5.310 7.160 1.00 0.00 N ATOM 143 CA GLU A 9 108.048 -5.830 8.448 1.00 0.00 C ATOM 144 C GLU A 9 108.710 -7.181 8.696 1.00 0.00 C ATOM 145 O GLU A 9 108.413 -8.153 8.002 1.00 0.00 O ATOM 146 CB GLU A 9 106.520 -5.988 8.507 1.00 0.00 C ATOM 147 CG GLU A 9 105.746 -4.681 8.643 1.00 0.00 C ATOM 148 CD GLU A 9 105.632 -3.894 7.350 1.00 0.00 C ATOM 149 OE1 GLU A 9 106.108 -4.377 6.306 1.00 0.00 O ATOM 150 OE2 GLU A 9 105.051 -2.779 7.385 1.00 0.00 O ATOM 0 H GLU A 9 107.737 -5.251 6.461 1.00 0.00 H new ATOM 0 HA GLU A 9 108.345 -5.119 9.219 1.00 0.00 H new ATOM 0 HB2 GLU A 9 106.187 -6.499 7.604 1.00 0.00 H new ATOM 0 HB3 GLU A 9 106.268 -6.632 9.349 1.00 0.00 H new ATOM 0 HG2 GLU A 9 104.744 -4.901 9.012 1.00 0.00 H new ATOM 0 HG3 GLU A 9 106.233 -4.059 9.394 1.00 0.00 H new ATOM 157 N PRO A 10 109.606 -7.262 9.696 1.00 0.00 N ATOM 158 CA PRO A 10 110.392 -8.475 9.966 1.00 0.00 C ATOM 159 C PRO A 10 109.527 -9.661 10.394 1.00 0.00 C ATOM 160 O PRO A 10 110.016 -10.784 10.520 1.00 0.00 O ATOM 161 CB PRO A 10 111.339 -8.058 11.095 1.00 0.00 C ATOM 162 CG PRO A 10 110.708 -6.862 11.720 1.00 0.00 C ATOM 163 CD PRO A 10 109.924 -6.176 10.638 1.00 0.00 C ATOM 0 HA PRO A 10 110.909 -8.820 9.071 1.00 0.00 H new ATOM 0 HB2 PRO A 10 111.462 -8.862 11.821 1.00 0.00 H new ATOM 0 HB3 PRO A 10 112.331 -7.822 10.709 1.00 0.00 H new ATOM 0 HG2 PRO A 10 110.057 -7.154 12.545 1.00 0.00 H new ATOM 0 HG3 PRO A 10 111.465 -6.195 12.132 1.00 0.00 H new ATOM 0 HD2 PRO A 10 109.021 -5.710 11.032 1.00 0.00 H new ATOM 0 HD3 PRO A 10 110.506 -5.388 10.160 1.00 0.00 H new ATOM 171 N SER A 11 108.247 -9.403 10.623 1.00 0.00 N ATOM 172 CA SER A 11 107.299 -10.455 10.953 1.00 0.00 C ATOM 173 C SER A 11 106.797 -11.138 9.681 1.00 0.00 C ATOM 174 O SER A 11 106.165 -12.191 9.730 1.00 0.00 O ATOM 175 CB SER A 11 106.130 -9.862 11.737 1.00 0.00 C ATOM 176 OG SER A 11 106.601 -9.095 12.833 1.00 0.00 O ATOM 0 H SER A 11 107.841 -8.468 10.586 1.00 0.00 H new ATOM 0 HA SER A 11 107.797 -11.204 11.568 1.00 0.00 H new ATOM 0 HB2 SER A 11 105.526 -9.235 11.081 1.00 0.00 H new ATOM 0 HB3 SER A 11 105.484 -10.662 12.097 1.00 0.00 H new ATOM 0 HG SER A 11 105.839 -8.722 13.323 1.00 0.00 H new ATOM 182 N VAL A 12 107.083 -10.525 8.542 1.00 0.00 N ATOM 183 CA VAL A 12 106.716 -11.086 7.252 1.00 0.00 C ATOM 184 C VAL A 12 107.978 -11.392 6.455 1.00 0.00 C ATOM 185 O VAL A 12 108.252 -12.542 6.113 1.00 0.00 O ATOM 186 CB VAL A 12 105.825 -10.121 6.439 1.00 0.00 C ATOM 187 CG1 VAL A 12 105.372 -10.768 5.139 1.00 0.00 C ATOM 188 CG2 VAL A 12 104.626 -9.665 7.259 1.00 0.00 C ATOM 0 H VAL A 12 107.572 -9.632 8.486 1.00 0.00 H new ATOM 0 HA VAL A 12 106.148 -11.998 7.435 1.00 0.00 H new ATOM 0 HB VAL A 12 106.421 -9.242 6.193 1.00 0.00 H new ATOM 0 HG11 VAL A 12 104.746 -10.069 4.584 1.00 0.00 H new ATOM 0 HG12 VAL A 12 106.244 -11.029 4.539 1.00 0.00 H new ATOM 0 HG13 VAL A 12 104.801 -11.670 5.361 1.00 0.00 H new ATOM 0 HG21 VAL A 12 104.015 -8.987 6.664 1.00 0.00 H new ATOM 0 HG22 VAL A 12 104.031 -10.532 7.546 1.00 0.00 H new ATOM 0 HG23 VAL A 12 104.973 -9.150 8.155 1.00 0.00 H new ATOM 198 N TRP A 13 108.734 -10.346 6.161 1.00 0.00 N ATOM 199 CA TRP A 13 110.012 -10.490 5.490 1.00 0.00 C ATOM 200 C TRP A 13 111.048 -9.610 6.176 1.00 0.00 C ATOM 201 O TRP A 13 110.756 -8.474 6.542 1.00 0.00 O ATOM 202 CB TRP A 13 109.900 -10.116 4.010 1.00 0.00 C ATOM 203 CG TRP A 13 111.173 -10.364 3.265 1.00 0.00 C ATOM 204 CD1 TRP A 13 112.171 -9.467 3.027 1.00 0.00 C ATOM 205 CD2 TRP A 13 111.592 -11.599 2.683 1.00 0.00 C ATOM 206 NE1 TRP A 13 113.192 -10.072 2.338 1.00 0.00 N ATOM 207 CE2 TRP A 13 112.858 -11.382 2.113 1.00 0.00 C ATOM 208 CE3 TRP A 13 111.018 -12.872 2.590 1.00 0.00 C ATOM 209 CZ2 TRP A 13 113.561 -12.389 1.463 1.00 0.00 C ATOM 210 CZ3 TRP A 13 111.716 -13.868 1.940 1.00 0.00 C ATOM 211 CH2 TRP A 13 112.978 -13.623 1.386 1.00 0.00 C ATOM 0 H TRP A 13 108.480 -9.382 6.379 1.00 0.00 H new ATOM 0 HA TRP A 13 110.322 -11.533 5.551 1.00 0.00 H new ATOM 0 HB2 TRP A 13 109.095 -10.691 3.552 1.00 0.00 H new ATOM 0 HB3 TRP A 13 109.629 -9.064 3.923 1.00 0.00 H new ATOM 0 HD1 TRP A 13 112.160 -8.432 3.335 1.00 0.00 H new ATOM 0 HE1 TRP A 13 114.057 -9.621 2.042 1.00 0.00 H new ATOM 0 HE3 TRP A 13 110.047 -13.071 3.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 114.534 -12.203 1.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 111.282 -14.853 1.857 1.00 0.00 H new ATOM 0 HH2 TRP A 13 113.502 -14.425 0.888 1.00 0.00 H new ATOM 222 N SER A 14 112.252 -10.129 6.349 1.00 0.00 N ATOM 223 CA SER A 14 113.303 -9.367 6.999 1.00 0.00 C ATOM 224 C SER A 14 114.587 -9.380 6.172 1.00 0.00 C ATOM 225 O SER A 14 114.772 -10.225 5.292 1.00 0.00 O ATOM 226 CB SER A 14 113.565 -9.916 8.404 1.00 0.00 C ATOM 227 OG SER A 14 114.442 -9.064 9.127 1.00 0.00 O ATOM 0 H SER A 14 112.524 -11.066 6.051 1.00 0.00 H new ATOM 0 HA SER A 14 112.969 -8.333 7.082 1.00 0.00 H new ATOM 0 HB2 SER A 14 112.622 -10.014 8.942 1.00 0.00 H new ATOM 0 HB3 SER A 14 113.997 -10.914 8.334 1.00 0.00 H new ATOM 0 HG SER A 14 115.259 -9.554 9.356 1.00 0.00 H new ATOM 233 N TRP A 15 115.469 -8.437 6.489 1.00 0.00 N ATOM 234 CA TRP A 15 116.751 -8.270 5.809 1.00 0.00 C ATOM 235 C TRP A 15 117.581 -9.553 5.863 1.00 0.00 C ATOM 236 O TRP A 15 118.313 -9.863 4.928 1.00 0.00 O ATOM 237 CB TRP A 15 117.502 -7.100 6.463 1.00 0.00 C ATOM 238 CG TRP A 15 118.907 -6.884 5.975 1.00 0.00 C ATOM 239 CD1 TRP A 15 120.057 -7.178 6.650 1.00 0.00 C ATOM 240 CD2 TRP A 15 119.314 -6.311 4.724 1.00 0.00 C ATOM 241 NE1 TRP A 15 121.152 -6.826 5.899 1.00 0.00 N ATOM 242 CE2 TRP A 15 120.723 -6.293 4.711 1.00 0.00 C ATOM 243 CE3 TRP A 15 118.627 -5.816 3.613 1.00 0.00 C ATOM 244 CZ2 TRP A 15 121.453 -5.798 3.632 1.00 0.00 C ATOM 245 CZ3 TRP A 15 119.353 -5.324 2.544 1.00 0.00 C ATOM 246 CH2 TRP A 15 120.752 -5.319 2.560 1.00 0.00 C ATOM 0 H TRP A 15 115.312 -7.759 7.234 1.00 0.00 H new ATOM 0 HA TRP A 15 116.576 -8.052 4.756 1.00 0.00 H new ATOM 0 HB2 TRP A 15 116.933 -6.186 6.296 1.00 0.00 H new ATOM 0 HB3 TRP A 15 117.531 -7.265 7.540 1.00 0.00 H new ATOM 0 HD1 TRP A 15 120.100 -7.623 7.633 1.00 0.00 H new ATOM 0 HE1 TRP A 15 122.126 -6.942 6.180 1.00 0.00 H new ATOM 0 HE3 TRP A 15 117.547 -5.818 3.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 122.533 -5.793 3.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 118.831 -4.937 1.682 1.00 0.00 H new ATOM 0 HH2 TRP A 15 121.289 -4.929 1.708 1.00 0.00 H new ATOM 257 N ASP A 16 117.427 -10.305 6.949 1.00 0.00 N ATOM 258 CA ASP A 16 118.175 -11.546 7.164 1.00 0.00 C ATOM 259 C ASP A 16 118.001 -12.497 5.986 1.00 0.00 C ATOM 260 O ASP A 16 118.969 -13.040 5.443 1.00 0.00 O ATOM 261 CB ASP A 16 117.682 -12.244 8.435 1.00 0.00 C ATOM 262 CG ASP A 16 117.674 -11.334 9.644 1.00 0.00 C ATOM 263 OD1 ASP A 16 116.785 -10.457 9.729 1.00 0.00 O ATOM 264 OD2 ASP A 16 118.551 -11.488 10.517 1.00 0.00 O ATOM 0 H ASP A 16 116.782 -10.074 7.705 1.00 0.00 H new ATOM 0 HA ASP A 16 119.229 -11.287 7.264 1.00 0.00 H new ATOM 0 HB2 ASP A 16 116.674 -12.624 8.267 1.00 0.00 H new ATOM 0 HB3 ASP A 16 118.318 -13.105 8.640 1.00 0.00 H new ATOM 269 N GLN A 17 116.752 -12.673 5.587 1.00 0.00 N ATOM 270 CA GLN A 17 116.400 -13.612 4.535 1.00 0.00 C ATOM 271 C GLN A 17 116.887 -13.095 3.190 1.00 0.00 C ATOM 272 O GLN A 17 117.207 -13.867 2.287 1.00 0.00 O ATOM 273 CB GLN A 17 114.886 -13.802 4.512 1.00 0.00 C ATOM 274 CG GLN A 17 114.282 -13.869 5.903 1.00 0.00 C ATOM 275 CD GLN A 17 112.790 -14.136 5.911 1.00 0.00 C ATOM 276 OE1 GLN A 17 112.072 -13.649 6.782 1.00 0.00 O ATOM 277 NE2 GLN A 17 112.318 -14.927 4.964 1.00 0.00 N ATOM 0 H GLN A 17 115.956 -12.171 5.982 1.00 0.00 H new ATOM 0 HA GLN A 17 116.879 -14.572 4.731 1.00 0.00 H new ATOM 0 HB2 GLN A 17 114.429 -12.980 3.961 1.00 0.00 H new ATOM 0 HB3 GLN A 17 114.647 -14.718 3.972 1.00 0.00 H new ATOM 0 HG2 GLN A 17 114.785 -14.653 6.470 1.00 0.00 H new ATOM 0 HG3 GLN A 17 114.476 -12.928 6.419 1.00 0.00 H new ATOM 0 HE21 GLN A 17 112.948 -15.311 4.259 1.00 0.00 H new ATOM 0 HE22 GLN A 17 111.324 -15.154 4.938 1.00 0.00 H new ATOM 286 N GLN A 18 116.964 -11.777 3.082 1.00 0.00 N ATOM 287 CA GLN A 18 117.404 -11.133 1.858 1.00 0.00 C ATOM 288 C GLN A 18 118.927 -11.177 1.747 1.00 0.00 C ATOM 289 O GLN A 18 119.478 -11.122 0.651 1.00 0.00 O ATOM 290 CB GLN A 18 116.893 -9.690 1.808 1.00 0.00 C ATOM 291 CG GLN A 18 117.189 -8.973 0.500 1.00 0.00 C ATOM 292 CD GLN A 18 116.513 -9.605 -0.704 1.00 0.00 C ATOM 293 OE1 GLN A 18 116.267 -10.807 -0.748 1.00 0.00 O ATOM 294 NE2 GLN A 18 116.211 -8.789 -1.695 1.00 0.00 N ATOM 0 H GLN A 18 116.725 -11.131 3.834 1.00 0.00 H new ATOM 0 HA GLN A 18 116.989 -11.674 1.008 1.00 0.00 H new ATOM 0 HB2 GLN A 18 115.816 -9.691 1.974 1.00 0.00 H new ATOM 0 HB3 GLN A 18 117.341 -9.128 2.628 1.00 0.00 H new ATOM 0 HG2 GLN A 18 116.868 -7.935 0.583 1.00 0.00 H new ATOM 0 HG3 GLN A 18 118.267 -8.961 0.337 1.00 0.00 H new ATOM 0 HE21 GLN A 18 116.431 -7.796 -1.623 1.00 0.00 H new ATOM 0 HE22 GLN A 18 115.758 -9.151 -2.534 1.00 0.00 H new ATOM 303 N VAL A 19 119.605 -11.280 2.888 1.00 0.00 N ATOM 304 CA VAL A 19 121.048 -11.486 2.895 1.00 0.00 C ATOM 305 C VAL A 19 121.366 -12.857 2.318 1.00 0.00 C ATOM 306 O VAL A 19 122.283 -13.010 1.510 1.00 0.00 O ATOM 307 CB VAL A 19 121.654 -11.379 4.315 1.00 0.00 C ATOM 308 CG1 VAL A 19 123.151 -11.646 4.286 1.00 0.00 C ATOM 309 CG2 VAL A 19 121.382 -10.013 4.915 1.00 0.00 C ATOM 0 H VAL A 19 119.180 -11.224 3.813 1.00 0.00 H new ATOM 0 HA VAL A 19 121.492 -10.698 2.287 1.00 0.00 H new ATOM 0 HB VAL A 19 121.177 -12.135 4.939 1.00 0.00 H new ATOM 0 HG11 VAL A 19 123.555 -11.565 5.295 1.00 0.00 H new ATOM 0 HG12 VAL A 19 123.334 -12.649 3.901 1.00 0.00 H new ATOM 0 HG13 VAL A 19 123.638 -10.915 3.641 1.00 0.00 H new ATOM 0 HG21 VAL A 19 121.817 -9.961 5.913 1.00 0.00 H new ATOM 0 HG22 VAL A 19 121.827 -9.243 4.284 1.00 0.00 H new ATOM 0 HG23 VAL A 19 120.306 -9.852 4.979 1.00 0.00 H new ATOM 319 N ALA A 20 120.589 -13.853 2.733 1.00 0.00 N ATOM 320 CA ALA A 20 120.709 -15.197 2.178 1.00 0.00 C ATOM 321 C ALA A 20 120.418 -15.177 0.680 1.00 0.00 C ATOM 322 O ALA A 20 121.026 -15.908 -0.101 1.00 0.00 O ATOM 323 CB ALA A 20 119.765 -16.152 2.895 1.00 0.00 C ATOM 0 H ALA A 20 119.871 -13.755 3.451 1.00 0.00 H new ATOM 0 HA ALA A 20 121.730 -15.548 2.327 1.00 0.00 H new ATOM 0 HB1 ALA A 20 119.866 -17.151 2.470 1.00 0.00 H new ATOM 0 HB2 ALA A 20 120.014 -16.182 3.956 1.00 0.00 H new ATOM 0 HB3 ALA A 20 118.738 -15.808 2.773 1.00 0.00 H new ATOM 329 N LYS A 21 119.494 -14.312 0.285 1.00 0.00 N ATOM 330 CA LYS A 21 119.139 -14.141 -1.116 1.00 0.00 C ATOM 331 C LYS A 21 119.957 -13.029 -1.766 1.00 0.00 C ATOM 332 O LYS A 21 119.545 -12.470 -2.779 1.00 0.00 O ATOM 333 CB LYS A 21 117.652 -13.816 -1.243 1.00 0.00 C ATOM 334 CG LYS A 21 116.750 -15.028 -1.146 1.00 0.00 C ATOM 335 CD LYS A 21 115.291 -14.619 -1.136 1.00 0.00 C ATOM 336 CE LYS A 21 114.380 -15.783 -1.477 1.00 0.00 C ATOM 337 NZ LYS A 21 114.547 -16.219 -2.889 1.00 0.00 N ATOM 0 H LYS A 21 118.972 -13.712 0.924 1.00 0.00 H new ATOM 0 HA LYS A 21 119.359 -15.076 -1.631 1.00 0.00 H new ATOM 0 HB2 LYS A 21 117.377 -13.107 -0.462 1.00 0.00 H new ATOM 0 HB3 LYS A 21 117.478 -13.321 -2.199 1.00 0.00 H new ATOM 0 HG2 LYS A 21 116.939 -15.695 -1.987 1.00 0.00 H new ATOM 0 HG3 LYS A 21 116.981 -15.586 -0.239 1.00 0.00 H new ATOM 0 HD2 LYS A 21 115.029 -14.228 -0.153 1.00 0.00 H new ATOM 0 HD3 LYS A 21 115.134 -13.812 -1.852 1.00 0.00 H new ATOM 0 HE2 LYS A 21 114.593 -16.619 -0.811 1.00 0.00 H new ATOM 0 HE3 LYS A 21 113.343 -15.495 -1.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 113.636 -16.561 -3.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 114.873 -15.416 -3.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 115.249 -16.985 -2.935 1.00 0.00 H new ATOM 351 N GLY A 22 121.119 -12.734 -1.194 1.00 0.00 N ATOM 352 CA GLY A 22 121.965 -11.668 -1.709 1.00 0.00 C ATOM 353 C GLY A 22 122.282 -11.833 -3.182 1.00 0.00 C ATOM 354 O GLY A 22 122.115 -10.902 -3.968 1.00 0.00 O ATOM 0 H GLY A 22 121.494 -13.216 -0.377 1.00 0.00 H new ATOM 0 HA2 GLY A 22 121.470 -10.709 -1.553 1.00 0.00 H new ATOM 0 HA3 GLY A 22 122.896 -11.642 -1.142 1.00 0.00 H new ATOM 358 N ALA A 23 122.740 -13.018 -3.554 1.00 0.00 N ATOM 359 CA ALA A 23 123.063 -13.313 -4.945 1.00 0.00 C ATOM 360 C ALA A 23 121.904 -14.011 -5.653 1.00 0.00 C ATOM 361 O ALA A 23 122.042 -14.459 -6.791 1.00 0.00 O ATOM 362 CB ALA A 23 124.326 -14.156 -5.025 1.00 0.00 C ATOM 0 H ALA A 23 122.897 -13.794 -2.912 1.00 0.00 H new ATOM 0 HA ALA A 23 123.238 -12.367 -5.457 1.00 0.00 H new ATOM 0 HB1 ALA A 23 124.556 -14.369 -6.069 1.00 0.00 H new ATOM 0 HB2 ALA A 23 125.156 -13.612 -4.575 1.00 0.00 H new ATOM 0 HB3 ALA A 23 124.173 -15.093 -4.489 1.00 0.00 H new ATOM 368 N ALA A 24 120.764 -14.104 -4.980 1.00 0.00 N ATOM 369 CA ALA A 24 119.628 -14.852 -5.506 1.00 0.00 C ATOM 370 C ALA A 24 118.473 -13.933 -5.890 1.00 0.00 C ATOM 371 O ALA A 24 117.986 -13.978 -7.019 1.00 0.00 O ATOM 372 CB ALA A 24 119.167 -15.885 -4.491 1.00 0.00 C ATOM 0 H ALA A 24 120.601 -13.672 -4.071 1.00 0.00 H new ATOM 0 HA ALA A 24 119.957 -15.361 -6.412 1.00 0.00 H new ATOM 0 HB1 ALA A 24 118.318 -16.438 -4.894 1.00 0.00 H new ATOM 0 HB2 ALA A 24 119.983 -16.576 -4.279 1.00 0.00 H new ATOM 0 HB3 ALA A 24 118.869 -15.383 -3.571 1.00 0.00 H new ATOM 378 N GLY A 25 118.035 -13.107 -4.952 1.00 0.00 N ATOM 379 CA GLY A 25 116.942 -12.198 -5.219 1.00 0.00 C ATOM 380 C GLY A 25 115.618 -12.683 -4.658 1.00 0.00 C ATOM 381 O GLY A 25 115.470 -13.857 -4.298 1.00 0.00 O ATOM 0 H GLY A 25 118.419 -13.051 -4.009 1.00 0.00 H new ATOM 0 HA2 GLY A 25 117.176 -11.222 -4.793 1.00 0.00 H new ATOM 0 HA3 GLY A 25 116.846 -12.061 -6.296 1.00 0.00 H new ATOM 385 N GLU A 26 114.665 -11.769 -4.578 1.00 0.00 N ATOM 386 CA GLU A 26 113.319 -12.068 -4.117 1.00 0.00 C ATOM 387 C GLU A 26 112.341 -11.126 -4.809 1.00 0.00 C ATOM 388 O GLU A 26 112.619 -9.935 -4.967 1.00 0.00 O ATOM 389 CB GLU A 26 113.226 -11.930 -2.592 1.00 0.00 C ATOM 390 CG GLU A 26 111.842 -12.212 -2.015 1.00 0.00 C ATOM 391 CD GLU A 26 111.317 -13.596 -2.355 1.00 0.00 C ATOM 392 OE1 GLU A 26 111.594 -14.551 -1.601 1.00 0.00 O ATOM 393 OE2 GLU A 26 110.598 -13.729 -3.368 1.00 0.00 O ATOM 0 H GLU A 26 114.805 -10.791 -4.833 1.00 0.00 H new ATOM 0 HA GLU A 26 113.067 -13.098 -4.368 1.00 0.00 H new ATOM 0 HB2 GLU A 26 113.943 -12.611 -2.134 1.00 0.00 H new ATOM 0 HB3 GLU A 26 113.523 -10.919 -2.312 1.00 0.00 H new ATOM 0 HG2 GLU A 26 111.879 -12.102 -0.931 1.00 0.00 H new ATOM 0 HG3 GLU A 26 111.142 -11.464 -2.388 1.00 0.00 H new ATOM 400 N ALA A 27 111.202 -11.658 -5.221 1.00 0.00 N ATOM 401 CA ALA A 27 110.247 -10.894 -6.006 1.00 0.00 C ATOM 402 C ALA A 27 109.310 -10.090 -5.113 1.00 0.00 C ATOM 403 O ALA A 27 108.750 -10.610 -4.147 1.00 0.00 O ATOM 404 CB ALA A 27 109.452 -11.822 -6.910 1.00 0.00 C ATOM 0 H ALA A 27 110.916 -12.617 -5.024 1.00 0.00 H new ATOM 0 HA ALA A 27 110.804 -10.188 -6.622 1.00 0.00 H new ATOM 0 HB1 ALA A 27 108.739 -11.239 -7.494 1.00 0.00 H new ATOM 0 HB2 ALA A 27 110.132 -12.344 -7.584 1.00 0.00 H new ATOM 0 HB3 ALA A 27 108.914 -12.549 -6.302 1.00 0.00 H new ATOM 410 N TRP A 28 109.139 -8.818 -5.444 1.00 0.00 N ATOM 411 CA TRP A 28 108.226 -7.950 -4.711 1.00 0.00 C ATOM 412 C TRP A 28 106.809 -8.122 -5.264 1.00 0.00 C ATOM 413 O TRP A 28 106.237 -7.203 -5.847 1.00 0.00 O ATOM 414 CB TRP A 28 108.692 -6.494 -4.832 1.00 0.00 C ATOM 415 CG TRP A 28 108.426 -5.660 -3.613 1.00 0.00 C ATOM 416 CD1 TRP A 28 107.668 -4.526 -3.540 1.00 0.00 C ATOM 417 CD2 TRP A 28 108.927 -5.893 -2.289 1.00 0.00 C ATOM 418 NE1 TRP A 28 107.674 -4.035 -2.255 1.00 0.00 N ATOM 419 CE2 TRP A 28 108.435 -4.860 -1.468 1.00 0.00 C ATOM 420 CE3 TRP A 28 109.744 -6.873 -1.719 1.00 0.00 C ATOM 421 CZ2 TRP A 28 108.734 -4.778 -0.113 1.00 0.00 C ATOM 422 CZ3 TRP A 28 110.037 -6.795 -0.371 1.00 0.00 C ATOM 423 CH2 TRP A 28 109.533 -5.754 0.420 1.00 0.00 C ATOM 0 H TRP A 28 109.622 -8.362 -6.218 1.00 0.00 H new ATOM 0 HA TRP A 28 108.221 -8.220 -3.655 1.00 0.00 H new ATOM 0 HB2 TRP A 28 109.762 -6.483 -5.040 1.00 0.00 H new ATOM 0 HB3 TRP A 28 108.196 -6.035 -5.688 1.00 0.00 H new ATOM 0 HD1 TRP A 28 107.141 -4.080 -4.370 1.00 0.00 H new ATOM 0 HE1 TRP A 28 107.191 -3.194 -1.939 1.00 0.00 H new ATOM 0 HE3 TRP A 28 110.139 -7.677 -2.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 108.350 -3.974 0.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 110.665 -7.549 0.080 1.00 0.00 H new ATOM 0 HH2 TRP A 28 109.780 -5.721 1.471 1.00 0.00 H new ATOM 434 N THR A 29 106.271 -9.322 -5.089 1.00 0.00 N ATOM 435 CA THR A 29 104.987 -9.702 -5.668 1.00 0.00 C ATOM 436 C THR A 29 103.872 -9.694 -4.623 1.00 0.00 C ATOM 437 O THR A 29 104.127 -9.807 -3.420 1.00 0.00 O ATOM 438 CB THR A 29 105.079 -11.102 -6.336 1.00 0.00 C ATOM 439 OG1 THR A 29 103.787 -11.708 -6.454 1.00 0.00 O ATOM 440 CG2 THR A 29 105.998 -12.030 -5.557 1.00 0.00 C ATOM 0 H THR A 29 106.712 -10.061 -4.541 1.00 0.00 H new ATOM 0 HA THR A 29 104.742 -8.960 -6.428 1.00 0.00 H new ATOM 0 HB THR A 29 105.493 -10.948 -7.333 1.00 0.00 H new ATOM 0 HG1 THR A 29 103.318 -11.330 -7.227 1.00 0.00 H new ATOM 0 HG21 THR A 29 106.039 -13.000 -6.052 1.00 0.00 H new ATOM 0 HG22 THR A 29 106.999 -11.601 -5.516 1.00 0.00 H new ATOM 0 HG23 THR A 29 105.615 -12.155 -4.544 1.00 0.00 H new ATOM 448 N GLY A 30 102.640 -9.545 -5.094 1.00 0.00 N ATOM 449 CA GLY A 30 101.492 -9.554 -4.215 1.00 0.00 C ATOM 450 C GLY A 30 100.958 -8.162 -3.973 1.00 0.00 C ATOM 451 O GLY A 30 100.205 -7.930 -3.025 1.00 0.00 O ATOM 0 H GLY A 30 102.417 -9.417 -6.081 1.00 0.00 H new ATOM 0 HA2 GLY A 30 100.707 -10.174 -4.649 1.00 0.00 H new ATOM 0 HA3 GLY A 30 101.767 -10.008 -3.263 1.00 0.00 H new ATOM 455 N VAL A 31 101.330 -7.237 -4.844 1.00 0.00 N ATOM 456 CA VAL A 31 100.968 -5.840 -4.674 1.00 0.00 C ATOM 457 C VAL A 31 99.605 -5.530 -5.288 1.00 0.00 C ATOM 458 O VAL A 31 99.242 -6.054 -6.343 1.00 0.00 O ATOM 459 CB VAL A 31 102.034 -4.895 -5.277 1.00 0.00 C ATOM 460 CG1 VAL A 31 103.350 -5.021 -4.523 1.00 0.00 C ATOM 461 CG2 VAL A 31 102.242 -5.177 -6.758 1.00 0.00 C ATOM 0 H VAL A 31 101.884 -7.430 -5.678 1.00 0.00 H new ATOM 0 HA VAL A 31 100.914 -5.666 -3.599 1.00 0.00 H new ATOM 0 HB VAL A 31 101.671 -3.872 -5.175 1.00 0.00 H new ATOM 0 HG11 VAL A 31 104.087 -4.348 -4.962 1.00 0.00 H new ATOM 0 HG12 VAL A 31 103.196 -4.757 -3.477 1.00 0.00 H new ATOM 0 HG13 VAL A 31 103.711 -6.047 -4.589 1.00 0.00 H new ATOM 0 HG21 VAL A 31 102.996 -4.498 -7.155 1.00 0.00 H new ATOM 0 HG22 VAL A 31 102.575 -6.206 -6.889 1.00 0.00 H new ATOM 0 HG23 VAL A 31 101.303 -5.029 -7.292 1.00 0.00 H new ATOM 471 N ARG A 32 98.840 -4.706 -4.589 1.00 0.00 N ATOM 472 CA ARG A 32 97.562 -4.219 -5.094 1.00 0.00 C ATOM 473 C ARG A 32 97.559 -2.691 -5.121 1.00 0.00 C ATOM 474 O ARG A 32 96.770 -2.063 -5.836 1.00 0.00 O ATOM 475 CB ARG A 32 96.418 -4.738 -4.217 1.00 0.00 C ATOM 476 CG ARG A 32 95.042 -4.251 -4.643 1.00 0.00 C ATOM 477 CD ARG A 32 93.958 -4.738 -3.695 1.00 0.00 C ATOM 478 NE ARG A 32 94.201 -4.315 -2.315 1.00 0.00 N ATOM 479 CZ ARG A 32 93.371 -3.534 -1.619 1.00 0.00 C ATOM 480 NH1 ARG A 32 92.280 -3.044 -2.190 1.00 0.00 N ATOM 481 NH2 ARG A 32 93.644 -3.225 -0.355 1.00 0.00 N ATOM 0 H ARG A 32 99.083 -4.357 -3.662 1.00 0.00 H new ATOM 0 HA ARG A 32 97.418 -4.588 -6.110 1.00 0.00 H new ATOM 0 HB2 ARG A 32 96.427 -5.828 -4.233 1.00 0.00 H new ATOM 0 HB3 ARG A 32 96.597 -4.433 -3.186 1.00 0.00 H new ATOM 0 HG2 ARG A 32 95.035 -3.162 -4.676 1.00 0.00 H new ATOM 0 HG3 ARG A 32 94.828 -4.602 -5.653 1.00 0.00 H new ATOM 0 HD2 ARG A 32 92.991 -4.358 -4.025 1.00 0.00 H new ATOM 0 HD3 ARG A 32 93.904 -5.826 -3.736 1.00 0.00 H new ATOM 0 HE ARG A 32 95.055 -4.636 -1.858 1.00 0.00 H new ATOM 0 HH11 ARG A 32 92.072 -3.263 -3.164 1.00 0.00 H new ATOM 0 HH12 ARG A 32 91.648 -2.448 -1.655 1.00 0.00 H new ATOM 0 HH21 ARG A 32 94.490 -3.585 0.087 1.00 0.00 H new ATOM 0 HH22 ARG A 32 93.007 -2.628 0.173 1.00 0.00 H new ATOM 495 N ASN A 33 98.480 -2.099 -4.370 1.00 0.00 N ATOM 496 CA ASN A 33 98.548 -0.650 -4.236 1.00 0.00 C ATOM 497 C ASN A 33 99.018 -0.040 -5.543 1.00 0.00 C ATOM 498 O ASN A 33 100.148 -0.264 -5.976 1.00 0.00 O ATOM 499 CB ASN A 33 99.502 -0.241 -3.105 1.00 0.00 C ATOM 500 CG ASN A 33 99.089 -0.780 -1.743 1.00 0.00 C ATOM 501 OD1 ASN A 33 98.527 -1.867 -1.633 1.00 0.00 O ATOM 502 ND2 ASN A 33 99.370 -0.019 -0.694 1.00 0.00 N ATOM 0 H ASN A 33 99.193 -2.603 -3.843 1.00 0.00 H new ATOM 0 HA ASN A 33 97.551 -0.283 -3.992 1.00 0.00 H new ATOM 0 HB2 ASN A 33 100.505 -0.596 -3.339 1.00 0.00 H new ATOM 0 HB3 ASN A 33 99.552 0.847 -3.057 1.00 0.00 H new ATOM 0 HD21 ASN A 33 99.118 -0.331 0.244 1.00 0.00 H new ATOM 0 HD22 ASN A 33 99.838 0.878 -0.825 1.00 0.00 H new ATOM 509 N HIS A 34 98.138 0.731 -6.168 1.00 0.00 N ATOM 510 CA HIS A 34 98.414 1.296 -7.482 1.00 0.00 C ATOM 511 C HIS A 34 99.591 2.263 -7.439 1.00 0.00 C ATOM 512 O HIS A 34 100.457 2.211 -8.307 1.00 0.00 O ATOM 513 CB HIS A 34 97.172 1.988 -8.048 1.00 0.00 C ATOM 514 CG HIS A 34 96.135 1.043 -8.591 1.00 0.00 C ATOM 515 ND1 HIS A 34 95.866 -0.199 -8.046 1.00 0.00 N ATOM 516 CD2 HIS A 34 95.303 1.167 -9.654 1.00 0.00 C ATOM 517 CE1 HIS A 34 94.916 -0.790 -8.749 1.00 0.00 C ATOM 518 NE2 HIS A 34 94.557 0.019 -9.728 1.00 0.00 N ATOM 0 H HIS A 34 97.226 0.980 -5.785 1.00 0.00 H new ATOM 0 HA HIS A 34 98.684 0.472 -8.143 1.00 0.00 H new ATOM 0 HB2 HIS A 34 96.719 2.596 -7.265 1.00 0.00 H new ATOM 0 HB3 HIS A 34 97.479 2.669 -8.842 1.00 0.00 H new ATOM 0 HD1 HIS A 34 96.329 -0.597 -7.229 1.00 0.00 H new ATOM 0 HD2 HIS A 34 95.239 2.015 -10.320 1.00 0.00 H new ATOM 0 HE1 HIS A 34 94.503 -1.769 -8.555 1.00 0.00 H new ATOM 527 N SER A 35 99.630 3.125 -6.425 1.00 0.00 N ATOM 528 CA SER A 35 100.711 4.095 -6.280 1.00 0.00 C ATOM 529 C SER A 35 102.062 3.386 -6.204 1.00 0.00 C ATOM 530 O SER A 35 103.026 3.773 -6.876 1.00 0.00 O ATOM 531 CB SER A 35 100.482 4.922 -5.017 1.00 0.00 C ATOM 532 OG SER A 35 99.125 5.328 -4.927 1.00 0.00 O ATOM 0 H SER A 35 98.923 3.171 -5.691 1.00 0.00 H new ATOM 0 HA SER A 35 100.718 4.752 -7.150 1.00 0.00 H new ATOM 0 HB2 SER A 35 100.751 4.336 -4.138 1.00 0.00 H new ATOM 0 HB3 SER A 35 101.130 5.798 -5.027 1.00 0.00 H new ATOM 0 HG SER A 35 98.995 5.855 -4.111 1.00 0.00 H new ATOM 538 N ALA A 36 102.111 2.333 -5.398 1.00 0.00 N ATOM 539 CA ALA A 36 103.317 1.539 -5.246 1.00 0.00 C ATOM 540 C ALA A 36 103.718 0.928 -6.580 1.00 0.00 C ATOM 541 O ALA A 36 104.861 1.064 -7.012 1.00 0.00 O ATOM 542 CB ALA A 36 103.108 0.453 -4.201 1.00 0.00 C ATOM 0 H ALA A 36 101.322 2.010 -4.837 1.00 0.00 H new ATOM 0 HA ALA A 36 104.123 2.190 -4.908 1.00 0.00 H new ATOM 0 HB1 ALA A 36 104.021 -0.134 -4.098 1.00 0.00 H new ATOM 0 HB2 ALA A 36 102.862 0.912 -3.243 1.00 0.00 H new ATOM 0 HB3 ALA A 36 102.291 -0.198 -4.512 1.00 0.00 H new ATOM 548 N LYS A 37 102.754 0.290 -7.241 1.00 0.00 N ATOM 549 CA LYS A 37 102.993 -0.356 -8.527 1.00 0.00 C ATOM 550 C LYS A 37 103.530 0.647 -9.544 1.00 0.00 C ATOM 551 O LYS A 37 104.434 0.335 -10.312 1.00 0.00 O ATOM 552 CB LYS A 37 101.706 -0.982 -9.070 1.00 0.00 C ATOM 553 CG LYS A 37 101.940 -1.884 -10.273 1.00 0.00 C ATOM 554 CD LYS A 37 100.669 -2.107 -11.079 1.00 0.00 C ATOM 555 CE LYS A 37 100.223 -0.832 -11.780 1.00 0.00 C ATOM 556 NZ LYS A 37 99.137 -1.083 -12.766 1.00 0.00 N ATOM 0 H LYS A 37 101.795 0.207 -6.903 1.00 0.00 H new ATOM 0 HA LYS A 37 103.733 -1.140 -8.369 1.00 0.00 H new ATOM 0 HB2 LYS A 37 101.228 -1.559 -8.278 1.00 0.00 H new ATOM 0 HB3 LYS A 37 101.013 -0.188 -9.348 1.00 0.00 H new ATOM 0 HG2 LYS A 37 102.702 -1.441 -10.914 1.00 0.00 H new ATOM 0 HG3 LYS A 37 102.327 -2.845 -9.935 1.00 0.00 H new ATOM 0 HD2 LYS A 37 100.838 -2.890 -11.818 1.00 0.00 H new ATOM 0 HD3 LYS A 37 99.875 -2.458 -10.419 1.00 0.00 H new ATOM 0 HE2 LYS A 37 99.878 -0.113 -11.037 1.00 0.00 H new ATOM 0 HE3 LYS A 37 101.076 -0.381 -12.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 99.429 -0.732 -13.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 98.949 -2.104 -12.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 98.273 -0.588 -12.465 1.00 0.00 H new ATOM 570 N LEU A 38 102.967 1.853 -9.536 1.00 0.00 N ATOM 571 CA LEU A 38 103.382 2.906 -10.461 1.00 0.00 C ATOM 572 C LEU A 38 104.867 3.211 -10.319 1.00 0.00 C ATOM 573 O LEU A 38 105.577 3.357 -11.311 1.00 0.00 O ATOM 574 CB LEU A 38 102.567 4.182 -10.230 1.00 0.00 C ATOM 575 CG LEU A 38 101.075 4.071 -10.549 1.00 0.00 C ATOM 576 CD1 LEU A 38 100.356 5.363 -10.197 1.00 0.00 C ATOM 577 CD2 LEU A 38 100.866 3.726 -12.016 1.00 0.00 C ATOM 0 H LEU A 38 102.220 2.126 -8.897 1.00 0.00 H new ATOM 0 HA LEU A 38 103.198 2.545 -11.473 1.00 0.00 H new ATOM 0 HB2 LEU A 38 102.678 4.480 -9.188 1.00 0.00 H new ATOM 0 HB3 LEU A 38 102.993 4.981 -10.837 1.00 0.00 H new ATOM 0 HG LEU A 38 100.654 3.268 -9.944 1.00 0.00 H new ATOM 0 HD11 LEU A 38 99.296 5.265 -10.431 1.00 0.00 H new ATOM 0 HD12 LEU A 38 100.475 5.568 -9.133 1.00 0.00 H new ATOM 0 HD13 LEU A 38 100.780 6.184 -10.774 1.00 0.00 H new ATOM 0 HD21 LEU A 38 99.799 3.651 -12.224 1.00 0.00 H new ATOM 0 HD22 LEU A 38 101.303 4.506 -12.639 1.00 0.00 H new ATOM 0 HD23 LEU A 38 101.346 2.773 -12.238 1.00 0.00 H new ATOM 589 N HIS A 39 105.340 3.292 -9.082 1.00 0.00 N ATOM 590 CA HIS A 39 106.755 3.561 -8.836 1.00 0.00 C ATOM 591 C HIS A 39 107.598 2.322 -9.107 1.00 0.00 C ATOM 592 O HIS A 39 108.795 2.420 -9.360 1.00 0.00 O ATOM 593 CB HIS A 39 106.984 4.062 -7.408 1.00 0.00 C ATOM 594 CG HIS A 39 106.368 5.400 -7.138 1.00 0.00 C ATOM 595 ND1 HIS A 39 106.823 6.573 -7.705 1.00 0.00 N ATOM 596 CD2 HIS A 39 105.317 5.747 -6.360 1.00 0.00 C ATOM 597 CE1 HIS A 39 106.078 7.578 -7.287 1.00 0.00 C ATOM 598 NE2 HIS A 39 105.158 7.105 -6.471 1.00 0.00 N ATOM 0 H HIS A 39 104.774 3.177 -8.241 1.00 0.00 H new ATOM 0 HA HIS A 39 107.066 4.347 -9.524 1.00 0.00 H new ATOM 0 HB2 HIS A 39 106.576 3.335 -6.706 1.00 0.00 H new ATOM 0 HB3 HIS A 39 108.056 4.120 -7.219 1.00 0.00 H new ATOM 0 HD2 HIS A 39 104.715 5.079 -5.762 1.00 0.00 H new ATOM 0 HE1 HIS A 39 106.201 8.614 -7.566 1.00 0.00 H new ATOM 0 HE2 HIS A 39 104.443 7.659 -5.998 1.00 0.00 H new ATOM 607 N MET A 40 106.963 1.159 -9.073 1.00 0.00 N ATOM 608 CA MET A 40 107.644 -0.094 -9.373 1.00 0.00 C ATOM 609 C MET A 40 107.817 -0.261 -10.882 1.00 0.00 C ATOM 610 O MET A 40 108.684 -0.999 -11.339 1.00 0.00 O ATOM 611 CB MET A 40 106.869 -1.273 -8.782 1.00 0.00 C ATOM 612 CG MET A 40 106.850 -1.276 -7.262 1.00 0.00 C ATOM 613 SD MET A 40 105.725 -2.504 -6.570 1.00 0.00 S ATOM 614 CE MET A 40 106.451 -4.017 -7.191 1.00 0.00 C ATOM 0 H MET A 40 105.975 1.056 -8.840 1.00 0.00 H new ATOM 0 HA MET A 40 108.634 -0.071 -8.918 1.00 0.00 H new ATOM 0 HB2 MET A 40 105.844 -1.247 -9.152 1.00 0.00 H new ATOM 0 HB3 MET A 40 107.312 -2.204 -9.135 1.00 0.00 H new ATOM 0 HG2 MET A 40 107.858 -1.466 -6.893 1.00 0.00 H new ATOM 0 HG3 MET A 40 106.562 -0.287 -6.906 1.00 0.00 H new ATOM 0 HE1 MET A 40 105.908 -4.873 -6.789 1.00 0.00 H new ATOM 0 HE2 MET A 40 106.393 -4.029 -8.279 1.00 0.00 H new ATOM 0 HE3 MET A 40 107.495 -4.073 -6.883 1.00 0.00 H new ATOM 624 N VAL A 41 106.986 0.439 -11.652 1.00 0.00 N ATOM 625 CA VAL A 41 107.123 0.463 -13.107 1.00 0.00 C ATOM 626 C VAL A 41 108.362 1.264 -13.498 1.00 0.00 C ATOM 627 O VAL A 41 109.023 0.975 -14.495 1.00 0.00 O ATOM 628 CB VAL A 41 105.880 1.084 -13.793 1.00 0.00 C ATOM 629 CG1 VAL A 41 106.029 1.079 -15.307 1.00 0.00 C ATOM 630 CG2 VAL A 41 104.609 0.355 -13.385 1.00 0.00 C ATOM 0 H VAL A 41 106.211 0.997 -11.293 1.00 0.00 H new ATOM 0 HA VAL A 41 107.218 -0.569 -13.444 1.00 0.00 H new ATOM 0 HB VAL A 41 105.805 2.119 -13.460 1.00 0.00 H new ATOM 0 HG11 VAL A 41 105.142 1.521 -15.761 1.00 0.00 H new ATOM 0 HG12 VAL A 41 106.908 1.659 -15.588 1.00 0.00 H new ATOM 0 HG13 VAL A 41 106.144 0.053 -15.658 1.00 0.00 H new ATOM 0 HG21 VAL A 41 103.752 0.812 -13.881 1.00 0.00 H new ATOM 0 HG22 VAL A 41 104.681 -0.693 -13.676 1.00 0.00 H new ATOM 0 HG23 VAL A 41 104.481 0.423 -12.305 1.00 0.00 H new ATOM 640 N ALA A 42 108.679 2.264 -12.686 1.00 0.00 N ATOM 641 CA ALA A 42 109.818 3.133 -12.947 1.00 0.00 C ATOM 642 C ALA A 42 111.116 2.503 -12.454 1.00 0.00 C ATOM 643 O ALA A 42 112.197 3.055 -12.658 1.00 0.00 O ATOM 644 CB ALA A 42 109.604 4.493 -12.299 1.00 0.00 C ATOM 0 H ALA A 42 108.161 2.494 -11.838 1.00 0.00 H new ATOM 0 HA ALA A 42 109.901 3.268 -14.025 1.00 0.00 H new ATOM 0 HB1 ALA A 42 110.463 5.132 -12.502 1.00 0.00 H new ATOM 0 HB2 ALA A 42 108.705 4.953 -12.708 1.00 0.00 H new ATOM 0 HB3 ALA A 42 109.491 4.369 -11.222 1.00 0.00 H new ATOM 650 N MET A 43 110.997 1.351 -11.804 1.00 0.00 N ATOM 651 CA MET A 43 112.158 0.628 -11.296 1.00 0.00 C ATOM 652 C MET A 43 112.848 -0.150 -12.408 1.00 0.00 C ATOM 653 O MET A 43 112.263 -1.056 -13.009 1.00 0.00 O ATOM 654 CB MET A 43 111.752 -0.334 -10.177 1.00 0.00 C ATOM 655 CG MET A 43 111.271 0.358 -8.915 1.00 0.00 C ATOM 656 SD MET A 43 110.805 -0.809 -7.623 1.00 0.00 S ATOM 657 CE MET A 43 110.376 0.316 -6.301 1.00 0.00 C ATOM 0 H MET A 43 110.104 0.896 -11.616 1.00 0.00 H new ATOM 0 HA MET A 43 112.854 1.366 -10.898 1.00 0.00 H new ATOM 0 HB2 MET A 43 110.962 -0.989 -10.544 1.00 0.00 H new ATOM 0 HB3 MET A 43 112.603 -0.968 -9.930 1.00 0.00 H new ATOM 0 HG2 MET A 43 112.058 1.014 -8.542 1.00 0.00 H new ATOM 0 HG3 MET A 43 110.416 0.990 -9.155 1.00 0.00 H new ATOM 0 HE1 MET A 43 109.661 -0.164 -5.632 1.00 0.00 H new ATOM 0 HE2 MET A 43 111.274 0.581 -5.743 1.00 0.00 H new ATOM 0 HE3 MET A 43 109.931 1.218 -6.721 1.00 0.00 H new ATOM 667 N ARG A 44 114.089 0.208 -12.677 1.00 0.00 N ATOM 668 CA ARG A 44 114.887 -0.488 -13.667 1.00 0.00 C ATOM 669 C ARG A 44 116.093 -1.143 -12.999 1.00 0.00 C ATOM 670 O ARG A 44 116.312 -0.985 -11.800 1.00 0.00 O ATOM 671 CB ARG A 44 115.341 0.474 -14.770 1.00 0.00 C ATOM 672 CG ARG A 44 116.281 1.568 -14.292 1.00 0.00 C ATOM 673 CD ARG A 44 116.714 2.464 -15.439 1.00 0.00 C ATOM 674 NE ARG A 44 117.264 1.689 -16.550 1.00 0.00 N ATOM 675 CZ ARG A 44 118.528 1.758 -16.959 1.00 0.00 C ATOM 676 NH1 ARG A 44 119.370 2.617 -16.398 1.00 0.00 N ATOM 677 NH2 ARG A 44 118.943 0.982 -17.951 1.00 0.00 N ATOM 0 H ARG A 44 114.569 0.983 -12.219 1.00 0.00 H new ATOM 0 HA ARG A 44 114.274 -1.264 -14.125 1.00 0.00 H new ATOM 0 HB2 ARG A 44 115.836 -0.098 -15.555 1.00 0.00 H new ATOM 0 HB3 ARG A 44 114.462 0.936 -15.219 1.00 0.00 H new ATOM 0 HG2 ARG A 44 115.787 2.167 -13.527 1.00 0.00 H new ATOM 0 HG3 ARG A 44 117.159 1.119 -13.827 1.00 0.00 H new ATOM 0 HD2 ARG A 44 115.861 3.047 -15.788 1.00 0.00 H new ATOM 0 HD3 ARG A 44 117.461 3.174 -15.085 1.00 0.00 H new ATOM 0 HE ARG A 44 116.637 1.054 -17.044 1.00 0.00 H new ATOM 0 HH11 ARG A 44 119.049 3.230 -15.648 1.00 0.00 H new ATOM 0 HH12 ARG A 44 120.338 2.664 -16.717 1.00 0.00 H new ATOM 0 HH21 ARG A 44 118.294 0.335 -18.398 1.00 0.00 H new ATOM 0 HH22 ARG A 44 119.911 1.032 -18.267 1.00 0.00 H new ATOM 691 N ARG A 45 116.877 -1.872 -13.775 1.00 0.00 N ATOM 692 CA ARG A 45 118.018 -2.601 -13.237 1.00 0.00 C ATOM 693 C ARG A 45 119.094 -1.624 -12.769 1.00 0.00 C ATOM 694 O ARG A 45 119.480 -0.718 -13.510 1.00 0.00 O ATOM 695 CB ARG A 45 118.579 -3.539 -14.303 1.00 0.00 C ATOM 696 CG ARG A 45 119.076 -4.864 -13.752 1.00 0.00 C ATOM 697 CD ARG A 45 119.361 -5.849 -14.873 1.00 0.00 C ATOM 698 NE ARG A 45 118.293 -5.848 -15.875 1.00 0.00 N ATOM 699 CZ ARG A 45 117.904 -6.918 -16.572 1.00 0.00 C ATOM 700 NH1 ARG A 45 118.438 -8.110 -16.337 1.00 0.00 N ATOM 701 NH2 ARG A 45 116.958 -6.790 -17.493 1.00 0.00 N ATOM 0 H ARG A 45 116.746 -1.976 -14.781 1.00 0.00 H new ATOM 0 HA ARG A 45 117.693 -3.192 -12.381 1.00 0.00 H new ATOM 0 HB2 ARG A 45 117.806 -3.732 -15.047 1.00 0.00 H new ATOM 0 HB3 ARG A 45 119.399 -3.039 -14.818 1.00 0.00 H new ATOM 0 HG2 ARG A 45 119.981 -4.702 -13.167 1.00 0.00 H new ATOM 0 HG3 ARG A 45 118.331 -5.283 -13.076 1.00 0.00 H new ATOM 0 HD2 ARG A 45 120.308 -5.595 -15.349 1.00 0.00 H new ATOM 0 HD3 ARG A 45 119.471 -6.851 -14.459 1.00 0.00 H new ATOM 0 HE ARG A 45 117.812 -4.966 -16.053 1.00 0.00 H new ATOM 0 HH11 ARG A 45 119.153 -8.216 -15.618 1.00 0.00 H new ATOM 0 HH12 ARG A 45 118.133 -8.921 -16.876 1.00 0.00 H new ATOM 0 HH21 ARG A 45 116.533 -5.879 -17.665 1.00 0.00 H new ATOM 0 HH22 ARG A 45 116.655 -7.603 -18.030 1.00 0.00 H new ATOM 715 N GLY A 46 119.562 -1.797 -11.536 1.00 0.00 N ATOM 716 CA GLY A 46 120.547 -0.883 -10.988 1.00 0.00 C ATOM 717 C GLY A 46 119.912 0.157 -10.091 1.00 0.00 C ATOM 718 O GLY A 46 120.607 0.957 -9.458 1.00 0.00 O ATOM 0 H GLY A 46 119.278 -2.550 -10.910 1.00 0.00 H new ATOM 0 HA2 GLY A 46 121.290 -1.446 -10.423 1.00 0.00 H new ATOM 0 HA3 GLY A 46 121.075 -0.387 -11.802 1.00 0.00 H new ATOM 722 N ASP A 47 118.585 0.169 -10.054 1.00 0.00 N ATOM 723 CA ASP A 47 117.863 1.033 -9.132 1.00 0.00 C ATOM 724 C ASP A 47 117.948 0.455 -7.736 1.00 0.00 C ATOM 725 O ASP A 47 118.044 -0.761 -7.570 1.00 0.00 O ATOM 726 CB ASP A 47 116.402 1.200 -9.551 1.00 0.00 C ATOM 727 CG ASP A 47 116.252 2.078 -10.774 1.00 0.00 C ATOM 728 OD1 ASP A 47 117.266 2.662 -11.224 1.00 0.00 O ATOM 729 OD2 ASP A 47 115.125 2.199 -11.282 1.00 0.00 O ATOM 0 H ASP A 47 117.990 -0.407 -10.649 1.00 0.00 H new ATOM 0 HA ASP A 47 118.323 2.021 -9.149 1.00 0.00 H new ATOM 0 HB2 ASP A 47 115.971 0.220 -9.755 1.00 0.00 H new ATOM 0 HB3 ASP A 47 115.837 1.632 -8.725 1.00 0.00 H new ATOM 734 N ARG A 48 117.925 1.311 -6.730 1.00 0.00 N ATOM 735 CA ARG A 48 118.173 0.862 -5.371 1.00 0.00 C ATOM 736 C ARG A 48 117.191 1.480 -4.393 1.00 0.00 C ATOM 737 O ARG A 48 116.739 2.605 -4.577 1.00 0.00 O ATOM 738 CB ARG A 48 119.611 1.183 -4.963 1.00 0.00 C ATOM 739 CG ARG A 48 120.640 0.380 -5.738 1.00 0.00 C ATOM 740 CD ARG A 48 122.057 0.705 -5.310 1.00 0.00 C ATOM 741 NE ARG A 48 123.025 -0.160 -5.976 1.00 0.00 N ATOM 742 CZ ARG A 48 124.291 -0.296 -5.603 1.00 0.00 C ATOM 743 NH1 ARG A 48 124.772 0.407 -4.585 1.00 0.00 N ATOM 744 NH2 ARG A 48 125.069 -1.141 -6.256 1.00 0.00 N ATOM 0 H ARG A 48 117.740 2.309 -6.825 1.00 0.00 H new ATOM 0 HA ARG A 48 118.030 -0.218 -5.343 1.00 0.00 H new ATOM 0 HB2 ARG A 48 119.798 2.246 -5.116 1.00 0.00 H new ATOM 0 HB3 ARG A 48 119.733 0.988 -3.898 1.00 0.00 H new ATOM 0 HG2 ARG A 48 120.453 -0.684 -5.593 1.00 0.00 H new ATOM 0 HG3 ARG A 48 120.528 0.581 -6.803 1.00 0.00 H new ATOM 0 HD2 ARG A 48 122.279 1.747 -5.541 1.00 0.00 H new ATOM 0 HD3 ARG A 48 122.148 0.591 -4.230 1.00 0.00 H new ATOM 0 HE ARG A 48 122.707 -0.697 -6.783 1.00 0.00 H new ATOM 0 HH11 ARG A 48 124.167 1.057 -4.083 1.00 0.00 H new ATOM 0 HH12 ARG A 48 125.746 0.297 -4.304 1.00 0.00 H new ATOM 0 HH21 ARG A 48 124.695 -1.680 -7.037 1.00 0.00 H new ATOM 0 HH22 ARG A 48 126.044 -1.255 -5.979 1.00 0.00 H new ATOM 758 N ALA A 49 116.872 0.732 -3.352 1.00 0.00 N ATOM 759 CA ALA A 49 115.920 1.175 -2.351 1.00 0.00 C ATOM 760 C ALA A 49 116.488 0.997 -0.951 1.00 0.00 C ATOM 761 O ALA A 49 117.415 0.212 -0.745 1.00 0.00 O ATOM 762 CB ALA A 49 114.616 0.404 -2.494 1.00 0.00 C ATOM 0 H ALA A 49 117.263 -0.194 -3.178 1.00 0.00 H new ATOM 0 HA ALA A 49 115.723 2.236 -2.507 1.00 0.00 H new ATOM 0 HB1 ALA A 49 113.908 0.744 -1.738 1.00 0.00 H new ATOM 0 HB2 ALA A 49 114.198 0.576 -3.486 1.00 0.00 H new ATOM 0 HB3 ALA A 49 114.806 -0.661 -2.360 1.00 0.00 H new ATOM 768 N PHE A 50 115.917 1.716 0.006 1.00 0.00 N ATOM 769 CA PHE A 50 116.327 1.594 1.397 1.00 0.00 C ATOM 770 C PHE A 50 115.505 0.521 2.089 1.00 0.00 C ATOM 771 O PHE A 50 114.278 0.504 1.987 1.00 0.00 O ATOM 772 CB PHE A 50 116.148 2.918 2.149 1.00 0.00 C ATOM 773 CG PHE A 50 117.231 3.931 1.907 1.00 0.00 C ATOM 774 CD1 PHE A 50 118.566 3.579 2.026 1.00 0.00 C ATOM 775 CD2 PHE A 50 116.912 5.238 1.581 1.00 0.00 C ATOM 776 CE1 PHE A 50 119.563 4.513 1.818 1.00 0.00 C ATOM 777 CE2 PHE A 50 117.905 6.178 1.376 1.00 0.00 C ATOM 778 CZ PHE A 50 119.232 5.814 1.496 1.00 0.00 C ATOM 0 H PHE A 50 115.169 2.390 -0.156 1.00 0.00 H new ATOM 0 HA PHE A 50 117.383 1.323 1.408 1.00 0.00 H new ATOM 0 HB2 PHE A 50 115.191 3.355 1.864 1.00 0.00 H new ATOM 0 HB3 PHE A 50 116.098 2.709 3.218 1.00 0.00 H new ATOM 0 HD1 PHE A 50 118.830 2.564 2.284 1.00 0.00 H new ATOM 0 HD2 PHE A 50 115.876 5.527 1.486 1.00 0.00 H new ATOM 0 HE1 PHE A 50 120.600 4.225 1.907 1.00 0.00 H new ATOM 0 HE2 PHE A 50 117.644 7.195 1.123 1.00 0.00 H new ATOM 0 HZ PHE A 50 120.010 6.546 1.338 1.00 0.00 H new ATOM 788 N TYR A 51 116.190 -0.375 2.777 1.00 0.00 N ATOM 789 CA TYR A 51 115.534 -1.437 3.518 1.00 0.00 C ATOM 790 C TYR A 51 115.161 -0.951 4.911 1.00 0.00 C ATOM 791 O TYR A 51 115.994 -0.947 5.823 1.00 0.00 O ATOM 792 CB TYR A 51 116.447 -2.659 3.616 1.00 0.00 C ATOM 793 CG TYR A 51 115.818 -3.929 3.101 1.00 0.00 C ATOM 794 CD1 TYR A 51 115.829 -4.224 1.745 1.00 0.00 C ATOM 795 CD2 TYR A 51 115.221 -4.833 3.968 1.00 0.00 C ATOM 796 CE1 TYR A 51 115.263 -5.387 1.265 1.00 0.00 C ATOM 797 CE2 TYR A 51 114.652 -6.000 3.496 1.00 0.00 C ATOM 798 CZ TYR A 51 114.677 -6.271 2.144 1.00 0.00 C ATOM 799 OH TYR A 51 114.116 -7.431 1.666 1.00 0.00 O ATOM 0 H TYR A 51 117.208 -0.388 2.838 1.00 0.00 H new ATOM 0 HA TYR A 51 114.625 -1.721 2.988 1.00 0.00 H new ATOM 0 HB2 TYR A 51 117.362 -2.464 3.056 1.00 0.00 H new ATOM 0 HB3 TYR A 51 116.736 -2.803 4.657 1.00 0.00 H new ATOM 0 HD1 TYR A 51 116.288 -3.532 1.054 1.00 0.00 H new ATOM 0 HD2 TYR A 51 115.201 -4.621 5.027 1.00 0.00 H new ATOM 0 HE1 TYR A 51 115.279 -5.603 0.207 1.00 0.00 H new ATOM 0 HE2 TYR A 51 114.191 -6.696 4.181 1.00 0.00 H new ATOM 0 HH TYR A 51 113.570 -7.843 2.367 1.00 0.00 H new ATOM 809 N TYR A 52 113.923 -0.518 5.060 1.00 0.00 N ATOM 810 CA TYR A 52 113.442 -0.014 6.333 1.00 0.00 C ATOM 811 C TYR A 52 112.661 -1.092 7.069 1.00 0.00 C ATOM 812 O TYR A 52 111.692 -1.636 6.544 1.00 0.00 O ATOM 813 CB TYR A 52 112.570 1.225 6.097 1.00 0.00 C ATOM 814 CG TYR A 52 111.863 1.748 7.332 1.00 0.00 C ATOM 815 CD1 TYR A 52 112.528 2.547 8.253 1.00 0.00 C ATOM 816 CD2 TYR A 52 110.527 1.441 7.573 1.00 0.00 C ATOM 817 CE1 TYR A 52 111.884 3.029 9.377 1.00 0.00 C ATOM 818 CE2 TYR A 52 109.876 1.921 8.695 1.00 0.00 C ATOM 819 CZ TYR A 52 110.558 2.711 9.595 1.00 0.00 C ATOM 820 OH TYR A 52 109.913 3.189 10.714 1.00 0.00 O ATOM 0 H TYR A 52 113.230 -0.505 4.312 1.00 0.00 H new ATOM 0 HA TYR A 52 114.293 0.267 6.953 1.00 0.00 H new ATOM 0 HB2 TYR A 52 113.195 2.020 5.689 1.00 0.00 H new ATOM 0 HB3 TYR A 52 111.822 0.987 5.340 1.00 0.00 H new ATOM 0 HD1 TYR A 52 113.566 2.796 8.088 1.00 0.00 H new ATOM 0 HD2 TYR A 52 109.990 0.818 6.873 1.00 0.00 H new ATOM 0 HE1 TYR A 52 112.415 3.652 10.082 1.00 0.00 H new ATOM 0 HE2 TYR A 52 108.838 1.678 8.865 1.00 0.00 H new ATOM 0 HH TYR A 52 108.985 2.874 10.716 1.00 0.00 H new ATOM 830 N HIS A 53 113.088 -1.402 8.285 1.00 0.00 N ATOM 831 CA HIS A 53 112.372 -2.364 9.108 1.00 0.00 C ATOM 832 C HIS A 53 111.116 -1.717 9.665 1.00 0.00 C ATOM 833 O HIS A 53 111.184 -0.886 10.563 1.00 0.00 O ATOM 834 CB HIS A 53 113.247 -2.875 10.256 1.00 0.00 C ATOM 835 CG HIS A 53 113.835 -4.232 10.018 1.00 0.00 C ATOM 836 ND1 HIS A 53 115.012 -4.651 10.593 1.00 0.00 N ATOM 837 CD2 HIS A 53 113.380 -5.282 9.294 1.00 0.00 C ATOM 838 CE1 HIS A 53 115.258 -5.895 10.235 1.00 0.00 C ATOM 839 NE2 HIS A 53 114.282 -6.307 9.447 1.00 0.00 N ATOM 0 H HIS A 53 113.920 -1.004 8.720 1.00 0.00 H new ATOM 0 HA HIS A 53 112.104 -3.217 8.485 1.00 0.00 H new ATOM 0 HB2 HIS A 53 114.056 -2.165 10.426 1.00 0.00 H new ATOM 0 HB3 HIS A 53 112.651 -2.904 11.168 1.00 0.00 H new ATOM 0 HD2 HIS A 53 112.475 -5.309 8.705 1.00 0.00 H new ATOM 0 HE1 HIS A 53 116.115 -6.480 10.536 1.00 0.00 H new ATOM 0 HE2 HIS A 53 114.210 -7.232 9.023 1.00 0.00 H new ATOM 848 N SER A 54 109.981 -2.091 9.109 1.00 0.00 N ATOM 849 CA SER A 54 108.718 -1.486 9.483 1.00 0.00 C ATOM 850 C SER A 54 108.078 -2.260 10.631 1.00 0.00 C ATOM 851 O SER A 54 108.312 -3.464 10.777 1.00 0.00 O ATOM 852 CB SER A 54 107.795 -1.447 8.263 1.00 0.00 C ATOM 853 OG SER A 54 106.550 -0.844 8.562 1.00 0.00 O ATOM 0 H SER A 54 109.907 -2.814 8.393 1.00 0.00 H new ATOM 0 HA SER A 54 108.890 -0.466 9.826 1.00 0.00 H new ATOM 0 HB2 SER A 54 108.281 -0.896 7.458 1.00 0.00 H new ATOM 0 HB3 SER A 54 107.629 -2.462 7.901 1.00 0.00 H new ATOM 0 HG SER A 54 105.827 -1.366 8.155 1.00 0.00 H new ATOM 859 N ASN A 55 107.290 -1.551 11.446 1.00 0.00 N ATOM 860 CA ASN A 55 106.623 -2.115 12.628 1.00 0.00 C ATOM 861 C ASN A 55 107.641 -2.423 13.727 1.00 0.00 C ATOM 862 O ASN A 55 107.569 -1.873 14.825 1.00 0.00 O ATOM 863 CB ASN A 55 105.825 -3.378 12.264 1.00 0.00 C ATOM 864 CG ASN A 55 104.813 -3.797 13.326 1.00 0.00 C ATOM 865 OD1 ASN A 55 103.793 -4.406 13.005 1.00 0.00 O ATOM 866 ND2 ASN A 55 105.070 -3.478 14.589 1.00 0.00 N ATOM 0 H ASN A 55 107.094 -0.560 11.304 1.00 0.00 H new ATOM 0 HA ASN A 55 105.922 -1.369 13.004 1.00 0.00 H new ATOM 0 HB2 ASN A 55 105.301 -3.206 11.324 1.00 0.00 H new ATOM 0 HB3 ASN A 55 106.521 -4.200 12.095 1.00 0.00 H new ATOM 0 HD21 ASN A 55 104.413 -3.738 15.325 1.00 0.00 H new ATOM 0 HD22 ASN A 55 105.924 -2.973 14.824 1.00 0.00 H new ATOM 873 N GLU A 56 108.577 -3.308 13.428 1.00 0.00 N ATOM 874 CA GLU A 56 109.632 -3.656 14.362 1.00 0.00 C ATOM 875 C GLU A 56 110.969 -3.174 13.818 1.00 0.00 C ATOM 876 O GLU A 56 111.262 -3.338 12.632 1.00 0.00 O ATOM 877 CB GLU A 56 109.659 -5.170 14.601 1.00 0.00 C ATOM 878 CG GLU A 56 110.763 -5.628 15.542 1.00 0.00 C ATOM 879 CD GLU A 56 110.713 -4.932 16.887 1.00 0.00 C ATOM 880 OE1 GLU A 56 109.923 -5.360 17.752 1.00 0.00 O ATOM 881 OE2 GLU A 56 111.460 -3.950 17.079 1.00 0.00 O ATOM 0 H GLU A 56 108.626 -3.802 12.537 1.00 0.00 H new ATOM 0 HA GLU A 56 109.441 -3.168 15.318 1.00 0.00 H new ATOM 0 HB2 GLU A 56 108.697 -5.480 15.008 1.00 0.00 H new ATOM 0 HB3 GLU A 56 109.778 -5.677 13.643 1.00 0.00 H new ATOM 0 HG2 GLU A 56 110.683 -6.705 15.692 1.00 0.00 H new ATOM 0 HG3 GLU A 56 111.731 -5.442 15.077 1.00 0.00 H new ATOM 888 N GLY A 57 111.769 -2.577 14.685 1.00 0.00 N ATOM 889 CA GLY A 57 113.028 -2.008 14.265 1.00 0.00 C ATOM 890 C GLY A 57 112.913 -0.520 14.030 1.00 0.00 C ATOM 891 O GLY A 57 113.545 0.273 14.728 1.00 0.00 O ATOM 0 H GLY A 57 111.566 -2.476 15.679 1.00 0.00 H new ATOM 0 HA2 GLY A 57 113.786 -2.200 15.024 1.00 0.00 H new ATOM 0 HA3 GLY A 57 113.362 -2.497 13.350 1.00 0.00 H new ATOM 895 N LYS A 58 112.083 -0.150 13.058 1.00 0.00 N ATOM 896 CA LYS A 58 111.875 1.250 12.685 1.00 0.00 C ATOM 897 C LYS A 58 113.204 1.912 12.346 1.00 0.00 C ATOM 898 O LYS A 58 113.503 3.022 12.793 1.00 0.00 O ATOM 899 CB LYS A 58 111.155 2.008 13.806 1.00 0.00 C ATOM 900 CG LYS A 58 109.827 1.378 14.193 1.00 0.00 C ATOM 901 CD LYS A 58 109.060 2.238 15.179 1.00 0.00 C ATOM 902 CE LYS A 58 107.815 1.520 15.674 1.00 0.00 C ATOM 903 NZ LYS A 58 106.990 2.373 16.569 1.00 0.00 N ATOM 0 H LYS A 58 111.535 -0.810 12.506 1.00 0.00 H new ATOM 0 HA LYS A 58 111.242 1.282 11.798 1.00 0.00 H new ATOM 0 HB2 LYS A 58 111.801 2.048 14.683 1.00 0.00 H new ATOM 0 HB3 LYS A 58 110.984 3.037 13.489 1.00 0.00 H new ATOM 0 HG2 LYS A 58 109.223 1.225 13.298 1.00 0.00 H new ATOM 0 HG3 LYS A 58 110.005 0.395 14.630 1.00 0.00 H new ATOM 0 HD2 LYS A 58 109.701 2.488 16.025 1.00 0.00 H new ATOM 0 HD3 LYS A 58 108.778 3.178 14.705 1.00 0.00 H new ATOM 0 HE2 LYS A 58 107.215 1.207 14.820 1.00 0.00 H new ATOM 0 HE3 LYS A 58 108.108 0.615 16.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 106.153 1.841 16.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 107.552 2.651 17.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 106.687 3.225 16.055 1.00 0.00 H new ATOM 917 N GLU A 59 113.988 1.216 11.535 1.00 0.00 N ATOM 918 CA GLU A 59 115.318 1.673 11.163 1.00 0.00 C ATOM 919 C GLU A 59 115.684 1.175 9.768 1.00 0.00 C ATOM 920 O GLU A 59 115.247 0.098 9.345 1.00 0.00 O ATOM 921 CB GLU A 59 116.346 1.186 12.193 1.00 0.00 C ATOM 922 CG GLU A 59 116.325 -0.318 12.406 1.00 0.00 C ATOM 923 CD GLU A 59 117.265 -0.781 13.502 1.00 0.00 C ATOM 924 OE1 GLU A 59 117.029 -0.449 14.682 1.00 0.00 O ATOM 925 OE2 GLU A 59 118.235 -1.497 13.188 1.00 0.00 O ATOM 0 H GLU A 59 113.722 0.324 11.119 1.00 0.00 H new ATOM 0 HA GLU A 59 115.323 2.763 11.149 1.00 0.00 H new ATOM 0 HB2 GLU A 59 117.343 1.485 11.869 1.00 0.00 H new ATOM 0 HB3 GLU A 59 116.158 1.682 13.145 1.00 0.00 H new ATOM 0 HG2 GLU A 59 115.310 -0.629 12.652 1.00 0.00 H new ATOM 0 HG3 GLU A 59 116.593 -0.814 11.473 1.00 0.00 H new ATOM 932 N ILE A 60 116.456 1.978 9.047 1.00 0.00 N ATOM 933 CA ILE A 60 116.958 1.597 7.735 1.00 0.00 C ATOM 934 C ILE A 60 118.276 0.853 7.895 1.00 0.00 C ATOM 935 O ILE A 60 119.247 1.404 8.417 1.00 0.00 O ATOM 936 CB ILE A 60 117.170 2.829 6.828 1.00 0.00 C ATOM 937 CG1 ILE A 60 115.856 3.601 6.669 1.00 0.00 C ATOM 938 CG2 ILE A 60 117.708 2.401 5.469 1.00 0.00 C ATOM 939 CD1 ILE A 60 115.985 4.866 5.846 1.00 0.00 C ATOM 0 H ILE A 60 116.750 2.906 9.353 1.00 0.00 H new ATOM 0 HA ILE A 60 116.216 0.954 7.262 1.00 0.00 H new ATOM 0 HB ILE A 60 117.903 3.486 7.295 1.00 0.00 H new ATOM 0 HG12 ILE A 60 115.117 2.949 6.203 1.00 0.00 H new ATOM 0 HG13 ILE A 60 115.475 3.859 7.657 1.00 0.00 H new ATOM 0 HG21 ILE A 60 117.852 3.280 4.841 1.00 0.00 H new ATOM 0 HG22 ILE A 60 118.661 1.889 5.600 1.00 0.00 H new ATOM 0 HG23 ILE A 60 116.996 1.727 4.992 1.00 0.00 H new ATOM 0 HD11 ILE A 60 115.014 5.357 5.778 1.00 0.00 H new ATOM 0 HD12 ILE A 60 116.699 5.538 6.322 1.00 0.00 H new ATOM 0 HD13 ILE A 60 116.335 4.615 4.845 1.00 0.00 H new ATOM 951 N VAL A 61 118.306 -0.395 7.451 1.00 0.00 N ATOM 952 CA VAL A 61 119.446 -1.263 7.723 1.00 0.00 C ATOM 953 C VAL A 61 120.312 -1.527 6.491 1.00 0.00 C ATOM 954 O VAL A 61 121.532 -1.644 6.606 1.00 0.00 O ATOM 955 CB VAL A 61 118.987 -2.613 8.319 1.00 0.00 C ATOM 956 CG1 VAL A 61 118.308 -2.396 9.660 1.00 0.00 C ATOM 957 CG2 VAL A 61 118.053 -3.345 7.365 1.00 0.00 C ATOM 0 H VAL A 61 117.561 -0.828 6.905 1.00 0.00 H new ATOM 0 HA VAL A 61 120.057 -0.725 8.447 1.00 0.00 H new ATOM 0 HB VAL A 61 119.871 -3.233 8.469 1.00 0.00 H new ATOM 0 HG11 VAL A 61 117.991 -3.356 10.067 1.00 0.00 H new ATOM 0 HG12 VAL A 61 119.007 -1.923 10.350 1.00 0.00 H new ATOM 0 HG13 VAL A 61 117.438 -1.753 9.528 1.00 0.00 H new ATOM 0 HG21 VAL A 61 117.746 -4.291 7.811 1.00 0.00 H new ATOM 0 HG22 VAL A 61 117.173 -2.731 7.175 1.00 0.00 H new ATOM 0 HG23 VAL A 61 118.571 -3.537 6.425 1.00 0.00 H new ATOM 967 N GLY A 62 119.703 -1.615 5.317 1.00 0.00 N ATOM 968 CA GLY A 62 120.463 -2.005 4.148 1.00 0.00 C ATOM 969 C GLY A 62 119.928 -1.426 2.858 1.00 0.00 C ATOM 970 O GLY A 62 118.954 -0.670 2.860 1.00 0.00 O ATOM 0 H GLY A 62 118.714 -1.427 5.154 1.00 0.00 H new ATOM 0 HA2 GLY A 62 121.498 -1.690 4.276 1.00 0.00 H new ATOM 0 HA3 GLY A 62 120.468 -3.092 4.074 1.00 0.00 H new ATOM 974 N ILE A 63 120.575 -1.788 1.758 1.00 0.00 N ATOM 975 CA ILE A 63 120.218 -1.293 0.439 1.00 0.00 C ATOM 976 C ILE A 63 119.862 -2.451 -0.495 1.00 0.00 C ATOM 977 O ILE A 63 120.626 -3.412 -0.632 1.00 0.00 O ATOM 978 CB ILE A 63 121.388 -0.486 -0.172 1.00 0.00 C ATOM 979 CG1 ILE A 63 121.747 0.696 0.736 1.00 0.00 C ATOM 980 CG2 ILE A 63 121.038 -0.002 -1.573 1.00 0.00 C ATOM 981 CD1 ILE A 63 123.005 1.428 0.319 1.00 0.00 C ATOM 0 H ILE A 63 121.364 -2.435 1.757 1.00 0.00 H new ATOM 0 HA ILE A 63 119.350 -0.643 0.550 1.00 0.00 H new ATOM 0 HB ILE A 63 122.256 -1.141 -0.250 1.00 0.00 H new ATOM 0 HG12 ILE A 63 120.915 1.400 0.746 1.00 0.00 H new ATOM 0 HG13 ILE A 63 121.870 0.334 1.757 1.00 0.00 H new ATOM 0 HG21 ILE A 63 121.875 0.563 -1.983 1.00 0.00 H new ATOM 0 HG22 ILE A 63 120.831 -0.860 -2.213 1.00 0.00 H new ATOM 0 HG23 ILE A 63 120.157 0.638 -1.527 1.00 0.00 H new ATOM 0 HD11 ILE A 63 123.193 2.250 1.009 1.00 0.00 H new ATOM 0 HD12 ILE A 63 123.850 0.739 0.337 1.00 0.00 H new ATOM 0 HD13 ILE A 63 122.879 1.822 -0.689 1.00 0.00 H new ATOM 993 N ALA A 64 118.700 -2.359 -1.125 1.00 0.00 N ATOM 994 CA ALA A 64 118.262 -3.369 -2.080 1.00 0.00 C ATOM 995 C ALA A 64 118.424 -2.854 -3.505 1.00 0.00 C ATOM 996 O ALA A 64 118.213 -1.672 -3.763 1.00 0.00 O ATOM 997 CB ALA A 64 116.814 -3.755 -1.816 1.00 0.00 C ATOM 0 H ALA A 64 118.040 -1.592 -0.992 1.00 0.00 H new ATOM 0 HA ALA A 64 118.884 -4.256 -1.959 1.00 0.00 H new ATOM 0 HB1 ALA A 64 116.501 -4.510 -2.537 1.00 0.00 H new ATOM 0 HB2 ALA A 64 116.723 -4.157 -0.807 1.00 0.00 H new ATOM 0 HB3 ALA A 64 116.179 -2.875 -1.914 1.00 0.00 H new ATOM 1003 N GLU A 65 118.802 -3.737 -4.421 1.00 0.00 N ATOM 1004 CA GLU A 65 119.026 -3.349 -5.812 1.00 0.00 C ATOM 1005 C GLU A 65 118.124 -4.148 -6.747 1.00 0.00 C ATOM 1006 O GLU A 65 117.883 -5.337 -6.524 1.00 0.00 O ATOM 1007 CB GLU A 65 120.495 -3.562 -6.189 1.00 0.00 C ATOM 1008 CG GLU A 65 120.868 -3.056 -7.571 1.00 0.00 C ATOM 1009 CD GLU A 65 122.344 -3.226 -7.860 1.00 0.00 C ATOM 1010 OE1 GLU A 65 122.778 -4.372 -8.103 1.00 0.00 O ATOM 1011 OE2 GLU A 65 123.079 -2.222 -7.829 1.00 0.00 O ATOM 0 H GLU A 65 118.960 -4.726 -4.228 1.00 0.00 H new ATOM 0 HA GLU A 65 118.782 -2.292 -5.917 1.00 0.00 H new ATOM 0 HB2 GLU A 65 121.123 -3.063 -5.451 1.00 0.00 H new ATOM 0 HB3 GLU A 65 120.721 -4.627 -6.132 1.00 0.00 H new ATOM 0 HG2 GLU A 65 120.288 -3.592 -8.322 1.00 0.00 H new ATOM 0 HG3 GLU A 65 120.601 -2.002 -7.655 1.00 0.00 H new ATOM 1018 N ILE A 66 117.621 -3.482 -7.780 1.00 0.00 N ATOM 1019 CA ILE A 66 116.775 -4.122 -8.779 1.00 0.00 C ATOM 1020 C ILE A 66 117.633 -4.856 -9.807 1.00 0.00 C ATOM 1021 O ILE A 66 118.440 -4.237 -10.504 1.00 0.00 O ATOM 1022 CB ILE A 66 115.896 -3.091 -9.528 1.00 0.00 C ATOM 1023 CG1 ILE A 66 115.233 -2.107 -8.553 1.00 0.00 C ATOM 1024 CG2 ILE A 66 114.838 -3.802 -10.362 1.00 0.00 C ATOM 1025 CD1 ILE A 66 114.335 -2.757 -7.525 1.00 0.00 C ATOM 0 H ILE A 66 117.787 -2.490 -7.948 1.00 0.00 H new ATOM 0 HA ILE A 66 116.130 -4.823 -8.250 1.00 0.00 H new ATOM 0 HB ILE A 66 116.545 -2.519 -10.192 1.00 0.00 H new ATOM 0 HG12 ILE A 66 116.012 -1.547 -8.035 1.00 0.00 H new ATOM 0 HG13 ILE A 66 114.648 -1.386 -9.125 1.00 0.00 H new ATOM 0 HG21 ILE A 66 114.228 -3.064 -10.882 1.00 0.00 H new ATOM 0 HG22 ILE A 66 115.324 -4.450 -11.091 1.00 0.00 H new ATOM 0 HG23 ILE A 66 114.203 -4.402 -9.710 1.00 0.00 H new ATOM 0 HD11 ILE A 66 113.908 -1.991 -6.878 1.00 0.00 H new ATOM 0 HD12 ILE A 66 113.532 -3.293 -8.031 1.00 0.00 H new ATOM 0 HD13 ILE A 66 114.916 -3.456 -6.924 1.00 0.00 H new ATOM 1037 N ILE A 67 117.475 -6.169 -9.892 1.00 0.00 N ATOM 1038 CA ILE A 67 118.211 -6.957 -10.877 1.00 0.00 C ATOM 1039 C ILE A 67 117.285 -7.499 -11.948 1.00 0.00 C ATOM 1040 O ILE A 67 117.730 -7.989 -12.985 1.00 0.00 O ATOM 1041 CB ILE A 67 118.971 -8.127 -10.227 1.00 0.00 C ATOM 1042 CG1 ILE A 67 118.032 -8.965 -9.351 1.00 0.00 C ATOM 1043 CG2 ILE A 67 120.139 -7.597 -9.420 1.00 0.00 C ATOM 1044 CD1 ILE A 67 118.694 -10.175 -8.724 1.00 0.00 C ATOM 0 H ILE A 67 116.849 -6.711 -9.296 1.00 0.00 H new ATOM 0 HA ILE A 67 118.936 -6.282 -11.333 1.00 0.00 H new ATOM 0 HB ILE A 67 119.358 -8.776 -11.012 1.00 0.00 H new ATOM 0 HG12 ILE A 67 117.629 -8.333 -8.560 1.00 0.00 H new ATOM 0 HG13 ILE A 67 117.188 -9.297 -9.955 1.00 0.00 H new ATOM 0 HG21 ILE A 67 120.673 -8.430 -8.962 1.00 0.00 H new ATOM 0 HG22 ILE A 67 120.815 -7.049 -10.076 1.00 0.00 H new ATOM 0 HG23 ILE A 67 119.770 -6.931 -8.640 1.00 0.00 H new ATOM 0 HD11 ILE A 67 117.966 -10.716 -8.120 1.00 0.00 H new ATOM 0 HD12 ILE A 67 119.073 -10.830 -9.509 1.00 0.00 H new ATOM 0 HD13 ILE A 67 119.521 -9.851 -8.092 1.00 0.00 H new ATOM 1056 N ARG A 68 115.997 -7.397 -11.698 1.00 0.00 N ATOM 1057 CA ARG A 68 114.995 -7.861 -12.636 1.00 0.00 C ATOM 1058 C ARG A 68 113.934 -6.790 -12.783 1.00 0.00 C ATOM 1059 O ARG A 68 113.202 -6.500 -11.837 1.00 0.00 O ATOM 1060 CB ARG A 68 114.391 -9.169 -12.134 1.00 0.00 C ATOM 1061 CG ARG A 68 113.524 -9.906 -13.139 1.00 0.00 C ATOM 1062 CD ARG A 68 113.069 -11.239 -12.565 1.00 0.00 C ATOM 1063 NE ARG A 68 112.184 -11.974 -13.466 1.00 0.00 N ATOM 1064 CZ ARG A 68 111.563 -13.105 -13.128 1.00 0.00 C ATOM 1065 NH1 ARG A 68 111.723 -13.617 -11.912 1.00 0.00 N ATOM 1066 NH2 ARG A 68 110.781 -13.716 -14.005 1.00 0.00 N ATOM 0 H ARG A 68 115.615 -6.992 -10.843 1.00 0.00 H new ATOM 0 HA ARG A 68 115.444 -8.050 -13.611 1.00 0.00 H new ATOM 0 HB2 ARG A 68 115.201 -9.829 -11.823 1.00 0.00 H new ATOM 0 HB3 ARG A 68 113.793 -8.958 -11.247 1.00 0.00 H new ATOM 0 HG2 ARG A 68 112.657 -9.298 -13.397 1.00 0.00 H new ATOM 0 HG3 ARG A 68 114.083 -10.071 -14.060 1.00 0.00 H new ATOM 0 HD2 ARG A 68 113.943 -11.851 -12.344 1.00 0.00 H new ATOM 0 HD3 ARG A 68 112.554 -11.065 -11.620 1.00 0.00 H new ATOM 0 HE ARG A 68 112.033 -11.602 -14.404 1.00 0.00 H new ATOM 0 HH11 ARG A 68 112.322 -13.145 -11.235 1.00 0.00 H new ATOM 0 HH12 ARG A 68 111.247 -14.482 -11.656 1.00 0.00 H new ATOM 0 HH21 ARG A 68 110.654 -13.322 -14.937 1.00 0.00 H new ATOM 0 HH22 ARG A 68 110.305 -14.581 -13.748 1.00 0.00 H new ATOM 1080 N GLU A 69 113.884 -6.190 -13.961 1.00 0.00 N ATOM 1081 CA GLU A 69 113.021 -5.045 -14.216 1.00 0.00 C ATOM 1082 C GLU A 69 111.545 -5.437 -14.187 1.00 0.00 C ATOM 1083 O GLU A 69 111.212 -6.624 -14.163 1.00 0.00 O ATOM 1084 CB GLU A 69 113.407 -4.414 -15.552 1.00 0.00 C ATOM 1085 CG GLU A 69 114.855 -3.945 -15.571 1.00 0.00 C ATOM 1086 CD GLU A 69 115.333 -3.522 -16.941 1.00 0.00 C ATOM 1087 OE1 GLU A 69 115.018 -2.394 -17.363 1.00 0.00 O ATOM 1088 OE2 GLU A 69 116.055 -4.310 -17.587 1.00 0.00 O ATOM 0 H GLU A 69 114.438 -6.481 -14.766 1.00 0.00 H new ATOM 0 HA GLU A 69 113.162 -4.311 -13.423 1.00 0.00 H new ATOM 0 HB2 GLU A 69 113.251 -5.138 -16.352 1.00 0.00 H new ATOM 0 HB3 GLU A 69 112.750 -3.568 -15.755 1.00 0.00 H new ATOM 0 HG2 GLU A 69 114.967 -3.108 -14.881 1.00 0.00 H new ATOM 0 HG3 GLU A 69 115.494 -4.748 -15.204 1.00 0.00 H new ATOM 1095 N ALA A 70 110.679 -4.423 -14.191 1.00 0.00 N ATOM 1096 CA ALA A 70 109.239 -4.605 -14.013 1.00 0.00 C ATOM 1097 C ALA A 70 108.655 -5.671 -14.935 1.00 0.00 C ATOM 1098 O ALA A 70 108.654 -5.529 -16.162 1.00 0.00 O ATOM 1099 CB ALA A 70 108.518 -3.280 -14.221 1.00 0.00 C ATOM 0 H ALA A 70 110.958 -3.450 -14.318 1.00 0.00 H new ATOM 0 HA ALA A 70 109.087 -4.955 -12.992 1.00 0.00 H new ATOM 0 HB1 ALA A 70 107.446 -3.424 -14.087 1.00 0.00 H new ATOM 0 HB2 ALA A 70 108.880 -2.551 -13.496 1.00 0.00 H new ATOM 0 HB3 ALA A 70 108.711 -2.915 -15.230 1.00 0.00 H new ATOM 1105 N TYR A 71 108.157 -6.737 -14.330 1.00 0.00 N ATOM 1106 CA TYR A 71 107.488 -7.801 -15.062 1.00 0.00 C ATOM 1107 C TYR A 71 106.155 -8.119 -14.387 1.00 0.00 C ATOM 1108 O TYR A 71 105.974 -7.809 -13.211 1.00 0.00 O ATOM 1109 CB TYR A 71 108.380 -9.052 -15.141 1.00 0.00 C ATOM 1110 CG TYR A 71 108.656 -9.725 -13.809 1.00 0.00 C ATOM 1111 CD1 TYR A 71 109.639 -9.244 -12.952 1.00 0.00 C ATOM 1112 CD2 TYR A 71 107.936 -10.847 -13.415 1.00 0.00 C ATOM 1113 CE1 TYR A 71 109.897 -9.864 -11.744 1.00 0.00 C ATOM 1114 CE2 TYR A 71 108.187 -11.470 -12.208 1.00 0.00 C ATOM 1115 CZ TYR A 71 109.166 -10.973 -11.376 1.00 0.00 C ATOM 1116 OH TYR A 71 109.421 -11.595 -10.176 1.00 0.00 O ATOM 0 H TYR A 71 108.204 -6.889 -13.323 1.00 0.00 H new ATOM 0 HA TYR A 71 107.297 -7.470 -16.083 1.00 0.00 H new ATOM 0 HB2 TYR A 71 107.908 -9.775 -15.806 1.00 0.00 H new ATOM 0 HB3 TYR A 71 109.331 -8.774 -15.595 1.00 0.00 H new ATOM 0 HD1 TYR A 71 110.210 -8.372 -13.235 1.00 0.00 H new ATOM 0 HD2 TYR A 71 107.167 -11.239 -14.064 1.00 0.00 H new ATOM 0 HE1 TYR A 71 110.668 -9.481 -11.091 1.00 0.00 H new ATOM 0 HE2 TYR A 71 107.619 -12.342 -11.918 1.00 0.00 H new ATOM 0 HH TYR A 71 108.817 -12.359 -10.069 1.00 0.00 H new ATOM 1126 N PRO A 72 105.199 -8.711 -15.125 1.00 0.00 N ATOM 1127 CA PRO A 72 103.872 -9.047 -14.593 1.00 0.00 C ATOM 1128 C PRO A 72 103.943 -9.838 -13.289 1.00 0.00 C ATOM 1129 O PRO A 72 104.633 -10.855 -13.205 1.00 0.00 O ATOM 1130 CB PRO A 72 103.230 -9.896 -15.704 1.00 0.00 C ATOM 1131 CG PRO A 72 104.338 -10.226 -16.649 1.00 0.00 C ATOM 1132 CD PRO A 72 105.324 -9.102 -16.533 1.00 0.00 C ATOM 0 HA PRO A 72 103.304 -8.150 -14.347 1.00 0.00 H new ATOM 0 HB2 PRO A 72 102.781 -10.801 -15.295 1.00 0.00 H new ATOM 0 HB3 PRO A 72 102.436 -9.346 -16.208 1.00 0.00 H new ATOM 0 HG2 PRO A 72 104.800 -11.179 -16.392 1.00 0.00 H new ATOM 0 HG3 PRO A 72 103.967 -10.317 -17.670 1.00 0.00 H new ATOM 0 HD2 PRO A 72 106.337 -9.424 -16.776 1.00 0.00 H new ATOM 0 HD3 PRO A 72 105.082 -8.279 -17.205 1.00 0.00 H new ATOM 1140 N ASP A 73 103.234 -9.349 -12.276 1.00 0.00 N ATOM 1141 CA ASP A 73 103.188 -10.000 -10.969 1.00 0.00 C ATOM 1142 C ASP A 73 102.668 -11.427 -11.117 1.00 0.00 C ATOM 1143 O ASP A 73 101.611 -11.647 -11.709 1.00 0.00 O ATOM 1144 CB ASP A 73 102.281 -9.208 -10.018 1.00 0.00 C ATOM 1145 CG ASP A 73 102.366 -9.688 -8.580 1.00 0.00 C ATOM 1146 OD1 ASP A 73 102.230 -10.902 -8.341 1.00 0.00 O ATOM 1147 OD2 ASP A 73 102.558 -8.848 -7.678 1.00 0.00 O ATOM 0 H ASP A 73 102.678 -8.496 -12.336 1.00 0.00 H new ATOM 0 HA ASP A 73 104.195 -10.030 -10.553 1.00 0.00 H new ATOM 0 HB2 ASP A 73 102.553 -8.153 -10.060 1.00 0.00 H new ATOM 0 HB3 ASP A 73 101.249 -9.285 -10.361 1.00 0.00 H new ATOM 1152 N PRO A 74 103.410 -12.412 -10.589 1.00 0.00 N ATOM 1153 CA PRO A 74 103.062 -13.834 -10.702 1.00 0.00 C ATOM 1154 C PRO A 74 101.756 -14.207 -9.993 1.00 0.00 C ATOM 1155 O PRO A 74 101.308 -15.354 -10.081 1.00 0.00 O ATOM 1156 CB PRO A 74 104.247 -14.556 -10.043 1.00 0.00 C ATOM 1157 CG PRO A 74 105.342 -13.550 -9.991 1.00 0.00 C ATOM 1158 CD PRO A 74 104.668 -12.219 -9.852 1.00 0.00 C ATOM 0 HA PRO A 74 102.894 -14.108 -11.744 1.00 0.00 H new ATOM 0 HB2 PRO A 74 103.987 -14.906 -9.044 1.00 0.00 H new ATOM 0 HB3 PRO A 74 104.544 -15.431 -10.621 1.00 0.00 H new ATOM 0 HG2 PRO A 74 106.008 -13.741 -9.150 1.00 0.00 H new ATOM 0 HG3 PRO A 74 105.951 -13.588 -10.894 1.00 0.00 H new ATOM 0 HD2 PRO A 74 104.490 -11.963 -8.808 1.00 0.00 H new ATOM 0 HD3 PRO A 74 105.268 -11.415 -10.279 1.00 0.00 H new ATOM 1166 N THR A 75 101.154 -13.265 -9.277 1.00 0.00 N ATOM 1167 CA THR A 75 99.876 -13.518 -8.632 1.00 0.00 C ATOM 1168 C THR A 75 98.720 -13.179 -9.580 1.00 0.00 C ATOM 1169 O THR A 75 97.576 -13.562 -9.339 1.00 0.00 O ATOM 1170 CB THR A 75 99.726 -12.725 -7.307 1.00 0.00 C ATOM 1171 OG1 THR A 75 98.718 -13.330 -6.482 1.00 0.00 O ATOM 1172 CG2 THR A 75 99.352 -11.269 -7.562 1.00 0.00 C ATOM 0 H THR A 75 101.528 -12.327 -9.130 1.00 0.00 H new ATOM 0 HA THR A 75 99.843 -14.580 -8.388 1.00 0.00 H new ATOM 0 HB THR A 75 100.691 -12.751 -6.800 1.00 0.00 H new ATOM 0 HG1 THR A 75 97.968 -13.620 -7.042 1.00 0.00 H new ATOM 0 HG21 THR A 75 99.256 -10.746 -6.610 1.00 0.00 H new ATOM 0 HG22 THR A 75 100.129 -10.793 -8.161 1.00 0.00 H new ATOM 0 HG23 THR A 75 98.404 -11.225 -8.097 1.00 0.00 H new ATOM 1180 N ASP A 76 99.026 -12.473 -10.667 1.00 0.00 N ATOM 1181 CA ASP A 76 98.010 -12.079 -11.638 1.00 0.00 C ATOM 1182 C ASP A 76 98.264 -12.757 -12.980 1.00 0.00 C ATOM 1183 O ASP A 76 99.410 -12.945 -13.385 1.00 0.00 O ATOM 1184 CB ASP A 76 97.984 -10.557 -11.807 1.00 0.00 C ATOM 1185 CG ASP A 76 96.958 -10.105 -12.828 1.00 0.00 C ATOM 1186 OD1 ASP A 76 95.747 -10.276 -12.581 1.00 0.00 O ATOM 1187 OD2 ASP A 76 97.360 -9.582 -13.883 1.00 0.00 O ATOM 0 H ASP A 76 99.970 -12.163 -10.896 1.00 0.00 H new ATOM 0 HA ASP A 76 97.038 -12.400 -11.264 1.00 0.00 H new ATOM 0 HB2 ASP A 76 97.765 -10.091 -10.846 1.00 0.00 H new ATOM 0 HB3 ASP A 76 98.972 -10.211 -12.111 1.00 0.00 H new ATOM 1192 N ALA A 77 97.189 -13.127 -13.663 1.00 0.00 N ATOM 1193 CA ALA A 77 97.288 -13.908 -14.891 1.00 0.00 C ATOM 1194 C ALA A 77 97.353 -13.041 -16.145 1.00 0.00 C ATOM 1195 O ALA A 77 97.389 -13.563 -17.262 1.00 0.00 O ATOM 1196 CB ALA A 77 96.116 -14.864 -14.984 1.00 0.00 C ATOM 0 H ALA A 77 96.234 -12.898 -13.387 1.00 0.00 H new ATOM 0 HA ALA A 77 98.225 -14.463 -14.843 1.00 0.00 H new ATOM 0 HB1 ALA A 77 96.193 -15.446 -15.902 1.00 0.00 H new ATOM 0 HB2 ALA A 77 96.126 -15.537 -14.126 1.00 0.00 H new ATOM 0 HB3 ALA A 77 95.184 -14.298 -14.990 1.00 0.00 H new ATOM 1202 N SER A 78 97.350 -11.729 -15.986 1.00 0.00 N ATOM 1203 CA SER A 78 97.366 -10.839 -17.139 1.00 0.00 C ATOM 1204 C SER A 78 98.602 -9.951 -17.129 1.00 0.00 C ATOM 1205 O SER A 78 99.262 -9.768 -18.152 1.00 0.00 O ATOM 1206 CB SER A 78 96.104 -9.974 -17.159 1.00 0.00 C ATOM 1207 OG SER A 78 96.010 -9.223 -18.356 1.00 0.00 O ATOM 0 H SER A 78 97.337 -11.258 -15.081 1.00 0.00 H new ATOM 0 HA SER A 78 97.393 -11.455 -18.038 1.00 0.00 H new ATOM 0 HB2 SER A 78 95.224 -10.609 -17.056 1.00 0.00 H new ATOM 0 HB3 SER A 78 96.111 -9.298 -16.304 1.00 0.00 H new ATOM 0 HG SER A 78 95.193 -8.682 -18.339 1.00 0.00 H new ATOM 1213 N GLY A 79 98.912 -9.413 -15.966 1.00 0.00 N ATOM 1214 CA GLY A 79 99.986 -8.454 -15.857 1.00 0.00 C ATOM 1215 C GLY A 79 99.459 -7.079 -15.513 1.00 0.00 C ATOM 1216 O GLY A 79 100.066 -6.063 -15.854 1.00 0.00 O ATOM 0 H GLY A 79 98.436 -9.624 -15.089 1.00 0.00 H new ATOM 0 HA2 GLY A 79 100.690 -8.778 -15.091 1.00 0.00 H new ATOM 0 HA3 GLY A 79 100.535 -8.411 -16.797 1.00 0.00 H new ATOM 1220 N LYS A 80 98.314 -7.056 -14.834 1.00 0.00 N ATOM 1221 CA LYS A 80 97.690 -5.809 -14.413 1.00 0.00 C ATOM 1222 C LYS A 80 98.509 -5.187 -13.292 1.00 0.00 C ATOM 1223 O LYS A 80 98.505 -3.971 -13.084 1.00 0.00 O ATOM 1224 CB LYS A 80 96.257 -6.076 -13.949 1.00 0.00 C ATOM 1225 CG LYS A 80 95.441 -4.818 -13.700 1.00 0.00 C ATOM 1226 CD LYS A 80 93.996 -5.153 -13.367 1.00 0.00 C ATOM 1227 CE LYS A 80 93.374 -6.037 -14.437 1.00 0.00 C ATOM 1228 NZ LYS A 80 91.940 -6.323 -14.173 1.00 0.00 N ATOM 0 H LYS A 80 97.799 -7.894 -14.564 1.00 0.00 H new ATOM 0 HA LYS A 80 97.656 -5.114 -15.252 1.00 0.00 H new ATOM 0 HB2 LYS A 80 95.750 -6.682 -14.700 1.00 0.00 H new ATOM 0 HB3 LYS A 80 96.287 -6.664 -13.032 1.00 0.00 H new ATOM 0 HG2 LYS A 80 95.883 -4.252 -12.880 1.00 0.00 H new ATOM 0 HG3 LYS A 80 95.474 -4.180 -14.583 1.00 0.00 H new ATOM 0 HD2 LYS A 80 93.951 -5.659 -12.403 1.00 0.00 H new ATOM 0 HD3 LYS A 80 93.420 -4.233 -13.272 1.00 0.00 H new ATOM 0 HE2 LYS A 80 93.472 -5.551 -15.408 1.00 0.00 H new ATOM 0 HE3 LYS A 80 93.924 -6.976 -14.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 91.562 -6.928 -14.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 91.846 -6.811 -13.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 91.407 -5.430 -14.145 1.00 0.00 H new ATOM 1242 N PHE A 81 99.210 -6.045 -12.573 1.00 0.00 N ATOM 1243 CA PHE A 81 100.153 -5.615 -11.562 1.00 0.00 C ATOM 1244 C PHE A 81 101.548 -6.041 -11.988 1.00 0.00 C ATOM 1245 O PHE A 81 101.712 -7.087 -12.618 1.00 0.00 O ATOM 1246 CB PHE A 81 99.807 -6.219 -10.199 1.00 0.00 C ATOM 1247 CG PHE A 81 98.412 -5.903 -9.736 1.00 0.00 C ATOM 1248 CD1 PHE A 81 98.096 -4.645 -9.250 1.00 0.00 C ATOM 1249 CD2 PHE A 81 97.418 -6.867 -9.785 1.00 0.00 C ATOM 1250 CE1 PHE A 81 96.814 -4.354 -8.820 1.00 0.00 C ATOM 1251 CE2 PHE A 81 96.136 -6.583 -9.359 1.00 0.00 C ATOM 1252 CZ PHE A 81 95.833 -5.325 -8.875 1.00 0.00 C ATOM 0 H PHE A 81 99.140 -7.058 -12.675 1.00 0.00 H new ATOM 0 HA PHE A 81 100.108 -4.530 -11.464 1.00 0.00 H new ATOM 0 HB2 PHE A 81 99.927 -7.301 -10.250 1.00 0.00 H new ATOM 0 HB3 PHE A 81 100.518 -5.853 -9.458 1.00 0.00 H new ATOM 0 HD1 PHE A 81 98.860 -3.882 -9.206 1.00 0.00 H new ATOM 0 HD2 PHE A 81 97.649 -7.853 -10.161 1.00 0.00 H new ATOM 0 HE1 PHE A 81 96.580 -3.370 -8.442 1.00 0.00 H new ATOM 0 HE2 PHE A 81 95.371 -7.344 -9.404 1.00 0.00 H new ATOM 0 HZ PHE A 81 94.831 -5.101 -8.540 1.00 0.00 H new ATOM 1262 N VAL A 82 102.542 -5.232 -11.674 1.00 0.00 N ATOM 1263 CA VAL A 82 103.910 -5.550 -12.039 1.00 0.00 C ATOM 1264 C VAL A 82 104.791 -5.569 -10.804 1.00 0.00 C ATOM 1265 O VAL A 82 104.535 -4.853 -9.837 1.00 0.00 O ATOM 1266 CB VAL A 82 104.490 -4.558 -13.073 1.00 0.00 C ATOM 1267 CG1 VAL A 82 103.700 -4.612 -14.371 1.00 0.00 C ATOM 1268 CG2 VAL A 82 104.517 -3.140 -12.520 1.00 0.00 C ATOM 0 H VAL A 82 102.429 -4.353 -11.169 1.00 0.00 H new ATOM 0 HA VAL A 82 103.895 -6.537 -12.501 1.00 0.00 H new ATOM 0 HB VAL A 82 105.517 -4.856 -13.282 1.00 0.00 H new ATOM 0 HG11 VAL A 82 104.125 -3.906 -15.085 1.00 0.00 H new ATOM 0 HG12 VAL A 82 103.748 -5.619 -14.784 1.00 0.00 H new ATOM 0 HG13 VAL A 82 102.660 -4.349 -14.175 1.00 0.00 H new ATOM 0 HG21 VAL A 82 104.930 -2.465 -13.270 1.00 0.00 H new ATOM 0 HG22 VAL A 82 103.503 -2.828 -12.270 1.00 0.00 H new ATOM 0 HG23 VAL A 82 105.137 -3.111 -11.624 1.00 0.00 H new ATOM 1278 N CYS A 83 105.818 -6.392 -10.840 1.00 0.00 N ATOM 1279 CA CYS A 83 106.723 -6.532 -9.719 1.00 0.00 C ATOM 1280 C CYS A 83 108.158 -6.601 -10.212 1.00 0.00 C ATOM 1281 O CYS A 83 108.405 -6.749 -11.410 1.00 0.00 O ATOM 1282 CB CYS A 83 106.376 -7.788 -8.919 1.00 0.00 C ATOM 1283 SG CYS A 83 106.458 -9.318 -9.876 1.00 0.00 S ATOM 0 H CYS A 83 106.048 -6.979 -11.642 1.00 0.00 H new ATOM 0 HA CYS A 83 106.619 -5.663 -9.069 1.00 0.00 H new ATOM 0 HB2 CYS A 83 107.057 -7.865 -8.071 1.00 0.00 H new ATOM 0 HB3 CYS A 83 105.371 -7.680 -8.512 1.00 0.00 H new ATOM 0 HG CYS A 83 107.688 -9.541 -10.234 1.00 0.00 H new ATOM 1289 N VAL A 84 109.096 -6.485 -9.287 1.00 0.00 N ATOM 1290 CA VAL A 84 110.510 -6.587 -9.607 1.00 0.00 C ATOM 1291 C VAL A 84 111.178 -7.593 -8.680 1.00 0.00 C ATOM 1292 O VAL A 84 110.621 -7.948 -7.637 1.00 0.00 O ATOM 1293 CB VAL A 84 111.225 -5.222 -9.485 1.00 0.00 C ATOM 1294 CG1 VAL A 84 110.707 -4.241 -10.530 1.00 0.00 C ATOM 1295 CG2 VAL A 84 111.056 -4.646 -8.085 1.00 0.00 C ATOM 0 H VAL A 84 108.901 -6.319 -8.300 1.00 0.00 H new ATOM 0 HA VAL A 84 110.592 -6.920 -10.642 1.00 0.00 H new ATOM 0 HB VAL A 84 112.288 -5.383 -9.665 1.00 0.00 H new ATOM 0 HG11 VAL A 84 111.226 -3.288 -10.423 1.00 0.00 H new ATOM 0 HG12 VAL A 84 110.887 -4.643 -11.527 1.00 0.00 H new ATOM 0 HG13 VAL A 84 109.637 -4.089 -10.388 1.00 0.00 H new ATOM 0 HG21 VAL A 84 111.567 -3.685 -8.023 1.00 0.00 H new ATOM 0 HG22 VAL A 84 109.996 -4.507 -7.874 1.00 0.00 H new ATOM 0 HG23 VAL A 84 111.484 -5.333 -7.355 1.00 0.00 H new ATOM 1305 N ASP A 85 112.351 -8.065 -9.066 1.00 0.00 N ATOM 1306 CA ASP A 85 113.124 -8.964 -8.219 1.00 0.00 C ATOM 1307 C ASP A 85 114.288 -8.190 -7.620 1.00 0.00 C ATOM 1308 O ASP A 85 115.102 -7.610 -8.348 1.00 0.00 O ATOM 1309 CB ASP A 85 113.635 -10.165 -9.016 1.00 0.00 C ATOM 1310 CG ASP A 85 114.188 -11.267 -8.136 1.00 0.00 C ATOM 1311 OD1 ASP A 85 115.281 -11.089 -7.572 1.00 0.00 O ATOM 1312 OD2 ASP A 85 113.536 -12.329 -8.033 1.00 0.00 O ATOM 0 H ASP A 85 112.791 -7.842 -9.959 1.00 0.00 H new ATOM 0 HA ASP A 85 112.485 -9.347 -7.423 1.00 0.00 H new ATOM 0 HB2 ASP A 85 112.822 -10.565 -9.622 1.00 0.00 H new ATOM 0 HB3 ASP A 85 114.412 -9.833 -9.705 1.00 0.00 H new ATOM 1317 N ILE A 86 114.345 -8.150 -6.301 1.00 0.00 N ATOM 1318 CA ILE A 86 115.329 -7.338 -5.611 1.00 0.00 C ATOM 1319 C ILE A 86 116.352 -8.207 -4.893 1.00 0.00 C ATOM 1320 O ILE A 86 116.027 -9.290 -4.409 1.00 0.00 O ATOM 1321 CB ILE A 86 114.665 -6.386 -4.588 1.00 0.00 C ATOM 1322 CG1 ILE A 86 113.943 -7.178 -3.493 1.00 0.00 C ATOM 1323 CG2 ILE A 86 113.689 -5.459 -5.292 1.00 0.00 C ATOM 1324 CD1 ILE A 86 113.360 -6.311 -2.394 1.00 0.00 C ATOM 0 H ILE A 86 113.720 -8.671 -5.686 1.00 0.00 H new ATOM 0 HA ILE A 86 115.833 -6.742 -6.371 1.00 0.00 H new ATOM 0 HB ILE A 86 115.448 -5.789 -4.119 1.00 0.00 H new ATOM 0 HG12 ILE A 86 113.141 -7.760 -3.947 1.00 0.00 H new ATOM 0 HG13 ILE A 86 114.642 -7.888 -3.051 1.00 0.00 H new ATOM 0 HG21 ILE A 86 113.228 -4.794 -4.562 1.00 0.00 H new ATOM 0 HG22 ILE A 86 114.222 -4.867 -6.036 1.00 0.00 H new ATOM 0 HG23 ILE A 86 112.916 -6.050 -5.783 1.00 0.00 H new ATOM 0 HD11 ILE A 86 112.865 -6.943 -1.656 1.00 0.00 H new ATOM 0 HD12 ILE A 86 114.159 -5.748 -1.912 1.00 0.00 H new ATOM 0 HD13 ILE A 86 112.636 -5.618 -2.823 1.00 0.00 H new ATOM 1336 N LYS A 87 117.585 -7.732 -4.830 1.00 0.00 N ATOM 1337 CA LYS A 87 118.629 -8.420 -4.084 1.00 0.00 C ATOM 1338 C LYS A 87 119.283 -7.463 -3.097 1.00 0.00 C ATOM 1339 O LYS A 87 119.248 -6.245 -3.286 1.00 0.00 O ATOM 1340 CB LYS A 87 119.698 -8.992 -5.023 1.00 0.00 C ATOM 1341 CG LYS A 87 120.521 -7.930 -5.737 1.00 0.00 C ATOM 1342 CD LYS A 87 121.759 -8.528 -6.389 1.00 0.00 C ATOM 1343 CE LYS A 87 122.561 -7.476 -7.143 1.00 0.00 C ATOM 1344 NZ LYS A 87 123.049 -6.393 -6.252 1.00 0.00 N ATOM 0 H LYS A 87 117.889 -6.872 -5.286 1.00 0.00 H new ATOM 0 HA LYS A 87 118.165 -9.245 -3.544 1.00 0.00 H new ATOM 0 HB2 LYS A 87 120.368 -9.632 -4.449 1.00 0.00 H new ATOM 0 HB3 LYS A 87 119.214 -9.624 -5.767 1.00 0.00 H new ATOM 0 HG2 LYS A 87 119.908 -7.443 -6.496 1.00 0.00 H new ATOM 0 HG3 LYS A 87 120.819 -7.160 -5.025 1.00 0.00 H new ATOM 0 HD2 LYS A 87 122.387 -8.987 -5.625 1.00 0.00 H new ATOM 0 HD3 LYS A 87 121.462 -9.321 -7.076 1.00 0.00 H new ATOM 0 HE2 LYS A 87 123.411 -7.952 -7.632 1.00 0.00 H new ATOM 0 HE3 LYS A 87 121.942 -7.045 -7.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 122.763 -5.471 -6.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 122.640 -6.513 -5.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 124.086 -6.435 -6.190 1.00 0.00 H new ATOM 1358 N ALA A 88 119.867 -8.012 -2.046 1.00 0.00 N ATOM 1359 CA ALA A 88 120.610 -7.208 -1.088 1.00 0.00 C ATOM 1360 C ALA A 88 121.995 -6.899 -1.637 1.00 0.00 C ATOM 1361 O ALA A 88 122.737 -7.810 -2.004 1.00 0.00 O ATOM 1362 CB ALA A 88 120.726 -7.933 0.245 1.00 0.00 C ATOM 0 H ALA A 88 119.842 -9.009 -1.834 1.00 0.00 H new ATOM 0 HA ALA A 88 120.072 -6.274 -0.926 1.00 0.00 H new ATOM 0 HB1 ALA A 88 121.285 -7.315 0.948 1.00 0.00 H new ATOM 0 HB2 ALA A 88 119.729 -8.124 0.643 1.00 0.00 H new ATOM 0 HB3 ALA A 88 121.247 -8.880 0.100 1.00 0.00 H new ATOM 1368 N ASP A 89 122.334 -5.622 -1.717 1.00 0.00 N ATOM 1369 CA ASP A 89 123.655 -5.235 -2.188 1.00 0.00 C ATOM 1370 C ASP A 89 124.604 -5.107 -1.010 1.00 0.00 C ATOM 1371 O ASP A 89 125.578 -5.849 -0.901 1.00 0.00 O ATOM 1372 CB ASP A 89 123.608 -3.919 -2.970 1.00 0.00 C ATOM 1373 CG ASP A 89 124.951 -3.583 -3.595 1.00 0.00 C ATOM 1374 OD1 ASP A 89 125.777 -2.920 -2.934 1.00 0.00 O ATOM 1375 OD2 ASP A 89 125.193 -3.994 -4.749 1.00 0.00 O ATOM 0 H ASP A 89 121.723 -4.845 -1.466 1.00 0.00 H new ATOM 0 HA ASP A 89 124.014 -6.012 -2.863 1.00 0.00 H new ATOM 0 HB2 ASP A 89 122.851 -3.988 -3.751 1.00 0.00 H new ATOM 0 HB3 ASP A 89 123.306 -3.111 -2.303 1.00 0.00 H new ATOM 1380 N LYS A 90 124.312 -4.168 -0.125 1.00 0.00 N ATOM 1381 CA LYS A 90 125.116 -3.976 1.069 1.00 0.00 C ATOM 1382 C LYS A 90 124.279 -3.372 2.187 1.00 0.00 C ATOM 1383 O LYS A 90 123.314 -2.652 1.930 1.00 0.00 O ATOM 1384 CB LYS A 90 126.319 -3.070 0.779 1.00 0.00 C ATOM 1385 CG LYS A 90 125.941 -1.657 0.361 1.00 0.00 C ATOM 1386 CD LYS A 90 127.153 -0.735 0.276 1.00 0.00 C ATOM 1387 CE LYS A 90 127.732 -0.405 1.650 1.00 0.00 C ATOM 1388 NZ LYS A 90 128.503 -1.535 2.238 1.00 0.00 N ATOM 0 H LYS A 90 123.523 -3.527 -0.212 1.00 0.00 H new ATOM 0 HA LYS A 90 125.481 -4.953 1.385 1.00 0.00 H new ATOM 0 HB2 LYS A 90 126.946 -3.019 1.669 1.00 0.00 H new ATOM 0 HB3 LYS A 90 126.921 -3.523 -0.009 1.00 0.00 H new ATOM 0 HG2 LYS A 90 125.442 -1.688 -0.608 1.00 0.00 H new ATOM 0 HG3 LYS A 90 125.226 -1.248 1.075 1.00 0.00 H new ATOM 0 HD2 LYS A 90 127.922 -1.206 -0.336 1.00 0.00 H new ATOM 0 HD3 LYS A 90 126.868 0.189 -0.227 1.00 0.00 H new ATOM 0 HE2 LYS A 90 128.381 0.467 1.566 1.00 0.00 H new ATOM 0 HE3 LYS A 90 126.921 -0.134 2.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 129.424 -1.189 2.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 127.972 -1.940 3.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 128.652 -2.267 1.514 1.00 0.00 H new ATOM 1402 N PRO A 91 124.621 -3.678 3.444 1.00 0.00 N ATOM 1403 CA PRO A 91 124.015 -3.034 4.597 1.00 0.00 C ATOM 1404 C PRO A 91 124.737 -1.739 4.956 1.00 0.00 C ATOM 1405 O PRO A 91 125.868 -1.505 4.517 1.00 0.00 O ATOM 1406 CB PRO A 91 124.193 -4.078 5.699 1.00 0.00 C ATOM 1407 CG PRO A 91 125.456 -4.793 5.345 1.00 0.00 C ATOM 1408 CD PRO A 91 125.610 -4.699 3.843 1.00 0.00 C ATOM 0 HA PRO A 91 122.977 -2.748 4.429 1.00 0.00 H new ATOM 0 HB2 PRO A 91 124.265 -3.609 6.680 1.00 0.00 H new ATOM 0 HB3 PRO A 91 123.347 -4.764 5.735 1.00 0.00 H new ATOM 0 HG2 PRO A 91 126.310 -4.341 5.849 1.00 0.00 H new ATOM 0 HG3 PRO A 91 125.412 -5.834 5.664 1.00 0.00 H new ATOM 0 HD2 PRO A 91 126.622 -4.405 3.563 1.00 0.00 H new ATOM 0 HD3 PRO A 91 125.412 -5.656 3.361 1.00 0.00 H new ATOM 1416 N LEU A 92 124.087 -0.900 5.744 1.00 0.00 N ATOM 1417 CA LEU A 92 124.683 0.352 6.182 1.00 0.00 C ATOM 1418 C LEU A 92 125.676 0.116 7.312 1.00 0.00 C ATOM 1419 O LEU A 92 125.657 -0.934 7.958 1.00 0.00 O ATOM 1420 CB LEU A 92 123.595 1.335 6.623 1.00 0.00 C ATOM 1421 CG LEU A 92 122.920 2.111 5.489 1.00 0.00 C ATOM 1422 CD1 LEU A 92 121.769 2.945 6.028 1.00 0.00 C ATOM 1423 CD2 LEU A 92 123.929 2.999 4.775 1.00 0.00 C ATOM 0 H LEU A 92 123.143 -1.063 6.095 1.00 0.00 H new ATOM 0 HA LEU A 92 125.224 0.784 5.340 1.00 0.00 H new ATOM 0 HB2 LEU A 92 122.830 0.784 7.170 1.00 0.00 H new ATOM 0 HB3 LEU A 92 124.034 2.049 7.320 1.00 0.00 H new ATOM 0 HG LEU A 92 122.522 1.394 4.771 1.00 0.00 H new ATOM 0 HD11 LEU A 92 121.300 3.490 5.209 1.00 0.00 H new ATOM 0 HD12 LEU A 92 121.034 2.291 6.496 1.00 0.00 H new ATOM 0 HD13 LEU A 92 122.147 3.653 6.766 1.00 0.00 H new ATOM 0 HD21 LEU A 92 123.431 3.543 3.972 1.00 0.00 H new ATOM 0 HD22 LEU A 92 124.355 3.709 5.484 1.00 0.00 H new ATOM 0 HD23 LEU A 92 124.724 2.382 4.357 1.00 0.00 H new ATOM 1435 N LYS A 93 126.555 1.089 7.523 1.00 0.00 N ATOM 1436 CA LYS A 93 127.534 1.032 8.602 1.00 0.00 C ATOM 1437 C LYS A 93 126.818 0.945 9.944 1.00 0.00 C ATOM 1438 O LYS A 93 127.081 0.051 10.749 1.00 0.00 O ATOM 1439 CB LYS A 93 128.431 2.273 8.548 1.00 0.00 C ATOM 1440 CG LYS A 93 129.492 2.337 9.636 1.00 0.00 C ATOM 1441 CD LYS A 93 130.483 1.189 9.533 1.00 0.00 C ATOM 1442 CE LYS A 93 131.691 1.428 10.421 1.00 0.00 C ATOM 1443 NZ LYS A 93 132.484 2.600 9.962 1.00 0.00 N ATOM 0 H LYS A 93 126.609 1.934 6.955 1.00 0.00 H new ATOM 0 HA LYS A 93 128.157 0.145 8.484 1.00 0.00 H new ATOM 0 HB2 LYS A 93 128.924 2.307 7.576 1.00 0.00 H new ATOM 0 HB3 LYS A 93 127.804 3.162 8.618 1.00 0.00 H new ATOM 0 HG2 LYS A 93 130.026 3.285 9.566 1.00 0.00 H new ATOM 0 HG3 LYS A 93 129.011 2.314 10.614 1.00 0.00 H new ATOM 0 HD2 LYS A 93 129.996 0.257 9.820 1.00 0.00 H new ATOM 0 HD3 LYS A 93 130.806 1.075 8.498 1.00 0.00 H new ATOM 0 HE2 LYS A 93 131.362 1.590 11.448 1.00 0.00 H new ATOM 0 HE3 LYS A 93 132.322 0.539 10.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 133.452 2.533 10.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 132.516 2.612 8.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 132.040 3.476 10.305 1.00 0.00 H new ATOM 1457 N THR A 94 125.906 1.876 10.167 1.00 0.00 N ATOM 1458 CA THR A 94 125.050 1.853 11.335 1.00 0.00 C ATOM 1459 C THR A 94 123.617 2.194 10.935 1.00 0.00 C ATOM 1460 O THR A 94 123.372 3.246 10.342 1.00 0.00 O ATOM 1461 CB THR A 94 125.547 2.824 12.427 1.00 0.00 C ATOM 1462 OG1 THR A 94 126.353 3.861 11.843 1.00 0.00 O ATOM 1463 CG2 THR A 94 126.351 2.082 13.481 1.00 0.00 C ATOM 0 H THR A 94 125.740 2.666 9.544 1.00 0.00 H new ATOM 0 HA THR A 94 125.080 0.847 11.753 1.00 0.00 H new ATOM 0 HB THR A 94 124.676 3.273 12.903 1.00 0.00 H new ATOM 0 HG1 THR A 94 125.960 4.140 10.990 1.00 0.00 H new ATOM 0 HG21 THR A 94 126.692 2.785 14.241 1.00 0.00 H new ATOM 0 HG22 THR A 94 125.726 1.320 13.946 1.00 0.00 H new ATOM 0 HG23 THR A 94 127.214 1.607 13.013 1.00 0.00 H new ATOM 1471 N PRO A 95 122.667 1.285 11.222 1.00 0.00 N ATOM 1472 CA PRO A 95 121.254 1.453 10.855 1.00 0.00 C ATOM 1473 C PRO A 95 120.680 2.794 11.303 1.00 0.00 C ATOM 1474 O PRO A 95 120.924 3.248 12.426 1.00 0.00 O ATOM 1475 CB PRO A 95 120.558 0.304 11.585 1.00 0.00 C ATOM 1476 CG PRO A 95 121.610 -0.734 11.750 1.00 0.00 C ATOM 1477 CD PRO A 95 122.904 0.011 11.925 1.00 0.00 C ATOM 0 HA PRO A 95 121.116 1.439 9.774 1.00 0.00 H new ATOM 0 HB2 PRO A 95 120.167 0.627 12.550 1.00 0.00 H new ATOM 0 HB3 PRO A 95 119.714 -0.076 11.010 1.00 0.00 H new ATOM 0 HG2 PRO A 95 121.403 -1.365 12.614 1.00 0.00 H new ATOM 0 HG3 PRO A 95 121.652 -1.389 10.880 1.00 0.00 H new ATOM 0 HD2 PRO A 95 123.136 0.171 12.978 1.00 0.00 H new ATOM 0 HD3 PRO A 95 123.743 -0.535 11.494 1.00 0.00 H new ATOM 1485 N VAL A 96 119.907 3.412 10.423 1.00 0.00 N ATOM 1486 CA VAL A 96 119.341 4.726 10.690 1.00 0.00 C ATOM 1487 C VAL A 96 117.916 4.591 11.209 1.00 0.00 C ATOM 1488 O VAL A 96 117.003 4.248 10.459 1.00 0.00 O ATOM 1489 CB VAL A 96 119.349 5.615 9.426 1.00 0.00 C ATOM 1490 CG1 VAL A 96 118.839 7.011 9.748 1.00 0.00 C ATOM 1491 CG2 VAL A 96 120.748 5.681 8.827 1.00 0.00 C ATOM 0 H VAL A 96 119.656 3.023 9.514 1.00 0.00 H new ATOM 0 HA VAL A 96 119.962 5.203 11.448 1.00 0.00 H new ATOM 0 HB VAL A 96 118.681 5.168 8.690 1.00 0.00 H new ATOM 0 HG11 VAL A 96 118.853 7.621 8.845 1.00 0.00 H new ATOM 0 HG12 VAL A 96 117.819 6.947 10.127 1.00 0.00 H new ATOM 0 HG13 VAL A 96 119.479 7.467 10.503 1.00 0.00 H new ATOM 0 HG21 VAL A 96 120.734 6.311 7.938 1.00 0.00 H new ATOM 0 HG22 VAL A 96 121.438 6.101 9.559 1.00 0.00 H new ATOM 0 HG23 VAL A 96 121.075 4.677 8.555 1.00 0.00 H new ATOM 1501 N THR A 97 117.736 4.839 12.496 1.00 0.00 N ATOM 1502 CA THR A 97 116.428 4.734 13.120 1.00 0.00 C ATOM 1503 C THR A 97 115.529 5.889 12.689 1.00 0.00 C ATOM 1504 O THR A 97 116.015 6.926 12.234 1.00 0.00 O ATOM 1505 CB THR A 97 116.556 4.729 14.656 1.00 0.00 C ATOM 1506 OG1 THR A 97 117.279 5.891 15.088 1.00 0.00 O ATOM 1507 CG2 THR A 97 117.271 3.474 15.135 1.00 0.00 C ATOM 0 H THR A 97 118.484 5.116 13.132 1.00 0.00 H new ATOM 0 HA THR A 97 115.980 3.795 12.796 1.00 0.00 H new ATOM 0 HB THR A 97 115.554 4.742 15.084 1.00 0.00 H new ATOM 0 HG1 THR A 97 117.356 5.884 16.065 1.00 0.00 H new ATOM 0 HG21 THR A 97 117.350 3.493 16.222 1.00 0.00 H new ATOM 0 HG22 THR A 97 116.707 2.594 14.827 1.00 0.00 H new ATOM 0 HG23 THR A 97 118.269 3.435 14.700 1.00 0.00 H new ATOM 1515 N LEU A 98 114.220 5.703 12.824 1.00 0.00 N ATOM 1516 CA LEU A 98 113.258 6.749 12.499 1.00 0.00 C ATOM 1517 C LEU A 98 113.523 7.999 13.336 1.00 0.00 C ATOM 1518 O LEU A 98 113.312 9.123 12.879 1.00 0.00 O ATOM 1519 CB LEU A 98 111.828 6.252 12.733 1.00 0.00 C ATOM 1520 CG LEU A 98 110.725 7.244 12.351 1.00 0.00 C ATOM 1521 CD1 LEU A 98 110.773 7.549 10.861 1.00 0.00 C ATOM 1522 CD2 LEU A 98 109.360 6.700 12.740 1.00 0.00 C ATOM 0 H LEU A 98 113.801 4.835 13.157 1.00 0.00 H new ATOM 0 HA LEU A 98 113.372 7.004 11.445 1.00 0.00 H new ATOM 0 HB2 LEU A 98 111.682 5.333 12.165 1.00 0.00 H new ATOM 0 HB3 LEU A 98 111.716 5.996 13.787 1.00 0.00 H new ATOM 0 HG LEU A 98 110.894 8.172 12.897 1.00 0.00 H new ATOM 0 HD11 LEU A 98 109.982 8.255 10.609 1.00 0.00 H new ATOM 0 HD12 LEU A 98 111.741 7.983 10.609 1.00 0.00 H new ATOM 0 HD13 LEU A 98 110.630 6.628 10.296 1.00 0.00 H new ATOM 0 HD21 LEU A 98 108.589 7.418 12.461 1.00 0.00 H new ATOM 0 HD22 LEU A 98 109.183 5.758 12.222 1.00 0.00 H new ATOM 0 HD23 LEU A 98 109.328 6.533 13.817 1.00 0.00 H new ATOM 1534 N ALA A 99 114.004 7.790 14.558 1.00 0.00 N ATOM 1535 CA ALA A 99 114.356 8.891 15.445 1.00 0.00 C ATOM 1536 C ALA A 99 115.516 9.694 14.868 1.00 0.00 C ATOM 1537 O ALA A 99 115.547 10.921 14.973 1.00 0.00 O ATOM 1538 CB ALA A 99 114.704 8.365 16.829 1.00 0.00 C ATOM 0 H ALA A 99 114.159 6.864 14.957 1.00 0.00 H new ATOM 0 HA ALA A 99 113.494 9.553 15.534 1.00 0.00 H new ATOM 0 HB1 ALA A 99 114.965 9.199 17.480 1.00 0.00 H new ATOM 0 HB2 ALA A 99 113.846 7.836 17.243 1.00 0.00 H new ATOM 0 HB3 ALA A 99 115.551 7.683 16.757 1.00 0.00 H new ATOM 1544 N ALA A 100 116.461 8.994 14.252 1.00 0.00 N ATOM 1545 CA ALA A 100 117.598 9.638 13.609 1.00 0.00 C ATOM 1546 C ALA A 100 117.157 10.350 12.335 1.00 0.00 C ATOM 1547 O ALA A 100 117.667 11.417 11.997 1.00 0.00 O ATOM 1548 CB ALA A 100 118.686 8.618 13.306 1.00 0.00 C ATOM 0 H ALA A 100 116.461 7.976 14.185 1.00 0.00 H new ATOM 0 HA ALA A 100 118.007 10.382 14.293 1.00 0.00 H new ATOM 0 HB1 ALA A 100 119.528 9.116 12.826 1.00 0.00 H new ATOM 0 HB2 ALA A 100 119.020 8.155 14.235 1.00 0.00 H new ATOM 0 HB3 ALA A 100 118.290 7.851 12.640 1.00 0.00 H new ATOM 1554 N VAL A 101 116.197 9.757 11.632 1.00 0.00 N ATOM 1555 CA VAL A 101 115.614 10.382 10.448 1.00 0.00 C ATOM 1556 C VAL A 101 114.957 11.708 10.823 1.00 0.00 C ATOM 1557 O VAL A 101 115.079 12.704 10.110 1.00 0.00 O ATOM 1558 CB VAL A 101 114.570 9.461 9.773 1.00 0.00 C ATOM 1559 CG1 VAL A 101 113.946 10.138 8.562 1.00 0.00 C ATOM 1560 CG2 VAL A 101 115.204 8.138 9.372 1.00 0.00 C ATOM 0 H VAL A 101 115.805 8.844 11.861 1.00 0.00 H new ATOM 0 HA VAL A 101 116.422 10.559 9.738 1.00 0.00 H new ATOM 0 HB VAL A 101 113.779 9.263 10.497 1.00 0.00 H new ATOM 0 HG11 VAL A 101 113.216 9.469 8.107 1.00 0.00 H new ATOM 0 HG12 VAL A 101 113.450 11.057 8.874 1.00 0.00 H new ATOM 0 HG13 VAL A 101 114.724 10.374 7.836 1.00 0.00 H new ATOM 0 HG21 VAL A 101 114.454 7.504 8.899 1.00 0.00 H new ATOM 0 HG22 VAL A 101 116.018 8.322 8.671 1.00 0.00 H new ATOM 0 HG23 VAL A 101 115.595 7.638 10.258 1.00 0.00 H new ATOM 1570 N LYS A 102 114.288 11.719 11.969 1.00 0.00 N ATOM 1571 CA LYS A 102 113.617 12.917 12.459 1.00 0.00 C ATOM 1572 C LYS A 102 114.604 13.871 13.133 1.00 0.00 C ATOM 1573 O LYS A 102 114.204 14.887 13.706 1.00 0.00 O ATOM 1574 CB LYS A 102 112.501 12.541 13.437 1.00 0.00 C ATOM 1575 CG LYS A 102 111.318 11.846 12.779 1.00 0.00 C ATOM 1576 CD LYS A 102 110.248 11.490 13.795 1.00 0.00 C ATOM 1577 CE LYS A 102 108.971 11.004 13.126 1.00 0.00 C ATOM 1578 NZ LYS A 102 108.333 12.070 12.306 1.00 0.00 N ATOM 0 H LYS A 102 114.195 10.907 12.580 1.00 0.00 H new ATOM 0 HA LYS A 102 113.182 13.429 11.601 1.00 0.00 H new ATOM 0 HB2 LYS A 102 112.911 11.889 14.208 1.00 0.00 H new ATOM 0 HB3 LYS A 102 112.149 13.443 13.937 1.00 0.00 H new ATOM 0 HG2 LYS A 102 110.893 12.495 12.013 1.00 0.00 H new ATOM 0 HG3 LYS A 102 111.660 10.941 12.276 1.00 0.00 H new ATOM 0 HD2 LYS A 102 110.625 10.716 14.463 1.00 0.00 H new ATOM 0 HD3 LYS A 102 110.027 12.362 14.410 1.00 0.00 H new ATOM 0 HE2 LYS A 102 109.197 10.146 12.493 1.00 0.00 H new ATOM 0 HE3 LYS A 102 108.269 10.663 13.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 107.336 11.827 12.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 108.386 12.976 12.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 108.830 12.153 11.396 1.00 0.00 H new ATOM 1592 N ALA A 103 115.890 13.543 13.065 1.00 0.00 N ATOM 1593 CA ALA A 103 116.930 14.406 13.614 1.00 0.00 C ATOM 1594 C ALA A 103 117.529 15.283 12.520 1.00 0.00 C ATOM 1595 O ALA A 103 118.237 16.252 12.800 1.00 0.00 O ATOM 1596 CB ALA A 103 118.018 13.579 14.284 1.00 0.00 C ATOM 0 H ALA A 103 116.237 12.686 12.635 1.00 0.00 H new ATOM 0 HA ALA A 103 116.476 15.050 14.367 1.00 0.00 H new ATOM 0 HB1 ALA A 103 118.783 14.242 14.686 1.00 0.00 H new ATOM 0 HB2 ALA A 103 117.583 12.993 15.094 1.00 0.00 H new ATOM 0 HB3 ALA A 103 118.468 12.908 13.552 1.00 0.00 H new ATOM 1602 N GLU A 104 117.246 14.935 11.272 1.00 0.00 N ATOM 1603 CA GLU A 104 117.729 15.706 10.137 1.00 0.00 C ATOM 1604 C GLU A 104 116.580 16.525 9.553 1.00 0.00 C ATOM 1605 O GLU A 104 115.599 15.964 9.058 1.00 0.00 O ATOM 1606 CB GLU A 104 118.321 14.781 9.070 1.00 0.00 C ATOM 1607 CG GLU A 104 119.649 15.263 8.495 1.00 0.00 C ATOM 1608 CD GLU A 104 119.573 16.644 7.872 1.00 0.00 C ATOM 1609 OE1 GLU A 104 118.577 16.934 7.188 1.00 0.00 O ATOM 1610 OE2 GLU A 104 120.509 17.451 8.074 1.00 0.00 O ATOM 0 H GLU A 104 116.683 14.122 11.021 1.00 0.00 H new ATOM 0 HA GLU A 104 118.516 16.380 10.474 1.00 0.00 H new ATOM 0 HB2 GLU A 104 118.463 13.790 9.502 1.00 0.00 H new ATOM 0 HB3 GLU A 104 117.603 14.675 8.257 1.00 0.00 H new ATOM 0 HG2 GLU A 104 120.397 15.271 9.287 1.00 0.00 H new ATOM 0 HG3 GLU A 104 119.990 14.552 7.742 1.00 0.00 H new ATOM 1617 N PRO A 105 116.686 17.863 9.616 1.00 0.00 N ATOM 1618 CA PRO A 105 115.631 18.779 9.159 1.00 0.00 C ATOM 1619 C PRO A 105 115.267 18.609 7.683 1.00 0.00 C ATOM 1620 O PRO A 105 114.142 18.907 7.277 1.00 0.00 O ATOM 1621 CB PRO A 105 116.234 20.169 9.391 1.00 0.00 C ATOM 1622 CG PRO A 105 117.304 19.966 10.407 1.00 0.00 C ATOM 1623 CD PRO A 105 117.846 18.590 10.161 1.00 0.00 C ATOM 0 HA PRO A 105 114.700 18.595 9.695 1.00 0.00 H new ATOM 0 HB2 PRO A 105 116.641 20.581 8.467 1.00 0.00 H new ATOM 0 HB3 PRO A 105 115.480 20.871 9.748 1.00 0.00 H new ATOM 0 HG2 PRO A 105 118.086 20.718 10.306 1.00 0.00 H new ATOM 0 HG3 PRO A 105 116.905 20.054 11.418 1.00 0.00 H new ATOM 0 HD2 PRO A 105 118.678 18.605 9.457 1.00 0.00 H new ATOM 0 HD3 PRO A 105 118.213 18.132 11.079 1.00 0.00 H new ATOM 1631 N ARG A 106 116.206 18.124 6.882 1.00 0.00 N ATOM 1632 CA ARG A 106 115.989 18.004 5.448 1.00 0.00 C ATOM 1633 C ARG A 106 115.349 16.659 5.117 1.00 0.00 C ATOM 1634 O ARG A 106 114.697 16.505 4.084 1.00 0.00 O ATOM 1635 CB ARG A 106 117.309 18.188 4.697 1.00 0.00 C ATOM 1636 CG ARG A 106 117.134 18.589 3.242 1.00 0.00 C ATOM 1637 CD ARG A 106 118.420 19.165 2.666 1.00 0.00 C ATOM 1638 NE ARG A 106 119.412 18.136 2.345 1.00 0.00 N ATOM 1639 CZ ARG A 106 120.430 17.788 3.136 1.00 0.00 C ATOM 1640 NH1 ARG A 106 120.545 18.292 4.358 1.00 0.00 N ATOM 1641 NH2 ARG A 106 121.330 16.918 2.699 1.00 0.00 N ATOM 0 H ARG A 106 117.122 17.808 7.200 1.00 0.00 H new ATOM 0 HA ARG A 106 115.304 18.789 5.127 1.00 0.00 H new ATOM 0 HB2 ARG A 106 117.903 18.948 5.205 1.00 0.00 H new ATOM 0 HB3 ARG A 106 117.875 17.258 4.743 1.00 0.00 H new ATOM 0 HG2 ARG A 106 116.829 17.721 2.658 1.00 0.00 H new ATOM 0 HG3 ARG A 106 116.335 19.326 3.160 1.00 0.00 H new ATOM 0 HD2 ARG A 106 118.187 19.731 1.764 1.00 0.00 H new ATOM 0 HD3 ARG A 106 118.850 19.867 3.381 1.00 0.00 H new ATOM 0 HE ARG A 106 119.318 17.650 1.453 1.00 0.00 H new ATOM 0 HH11 ARG A 106 119.851 18.954 4.704 1.00 0.00 H new ATOM 0 HH12 ARG A 106 121.328 18.017 4.951 1.00 0.00 H new ATOM 0 HH21 ARG A 106 121.242 16.519 1.764 1.00 0.00 H new ATOM 0 HH22 ARG A 106 122.110 16.647 3.298 1.00 0.00 H new ATOM 1655 N LEU A 107 115.505 15.693 6.018 1.00 0.00 N ATOM 1656 CA LEU A 107 114.858 14.395 5.857 1.00 0.00 C ATOM 1657 C LEU A 107 113.373 14.497 6.172 1.00 0.00 C ATOM 1658 O LEU A 107 112.612 13.555 5.948 1.00 0.00 O ATOM 1659 CB LEU A 107 115.509 13.333 6.746 1.00 0.00 C ATOM 1660 CG LEU A 107 116.854 12.805 6.249 1.00 0.00 C ATOM 1661 CD1 LEU A 107 117.411 11.769 7.213 1.00 0.00 C ATOM 1662 CD2 LEU A 107 116.708 12.212 4.854 1.00 0.00 C ATOM 0 H LEU A 107 116.070 15.784 6.862 1.00 0.00 H new ATOM 0 HA LEU A 107 114.982 14.091 4.818 1.00 0.00 H new ATOM 0 HB2 LEU A 107 115.647 13.751 7.743 1.00 0.00 H new ATOM 0 HB3 LEU A 107 114.821 12.493 6.845 1.00 0.00 H new ATOM 0 HG LEU A 107 117.555 13.638 6.199 1.00 0.00 H new ATOM 0 HD11 LEU A 107 118.369 11.405 6.842 1.00 0.00 H new ATOM 0 HD12 LEU A 107 117.551 12.223 8.194 1.00 0.00 H new ATOM 0 HD13 LEU A 107 116.713 10.936 7.295 1.00 0.00 H new ATOM 0 HD21 LEU A 107 117.674 11.840 4.514 1.00 0.00 H new ATOM 0 HD22 LEU A 107 115.992 11.390 4.881 1.00 0.00 H new ATOM 0 HD23 LEU A 107 116.353 12.980 4.167 1.00 0.00 H new ATOM 1674 N ALA A 108 112.964 15.656 6.676 1.00 0.00 N ATOM 1675 CA ALA A 108 111.567 15.916 6.978 1.00 0.00 C ATOM 1676 C ALA A 108 110.766 16.145 5.699 1.00 0.00 C ATOM 1677 O ALA A 108 109.546 16.308 5.733 1.00 0.00 O ATOM 1678 CB ALA A 108 111.439 17.115 7.906 1.00 0.00 C ATOM 0 H ALA A 108 113.589 16.435 6.884 1.00 0.00 H new ATOM 0 HA ALA A 108 111.160 15.039 7.481 1.00 0.00 H new ATOM 0 HB1 ALA A 108 110.386 17.297 8.123 1.00 0.00 H new ATOM 0 HB2 ALA A 108 111.971 16.914 8.836 1.00 0.00 H new ATOM 0 HB3 ALA A 108 111.868 17.994 7.425 1.00 0.00 H new ATOM 1684 N ASP A 109 111.459 16.166 4.568 1.00 0.00 N ATOM 1685 CA ASP A 109 110.799 16.336 3.281 1.00 0.00 C ATOM 1686 C ASP A 109 110.565 14.987 2.615 1.00 0.00 C ATOM 1687 O ASP A 109 109.704 14.860 1.739 1.00 0.00 O ATOM 1688 CB ASP A 109 111.623 17.235 2.360 1.00 0.00 C ATOM 1689 CG ASP A 109 110.899 17.533 1.065 1.00 0.00 C ATOM 1690 OD1 ASP A 109 109.849 18.209 1.113 1.00 0.00 O ATOM 1691 OD2 ASP A 109 111.355 17.078 -0.002 1.00 0.00 O ATOM 0 H ASP A 109 112.473 16.068 4.516 1.00 0.00 H new ATOM 0 HA ASP A 109 109.835 16.812 3.461 1.00 0.00 H new ATOM 0 HB2 ASP A 109 111.849 18.170 2.873 1.00 0.00 H new ATOM 0 HB3 ASP A 109 112.576 16.753 2.140 1.00 0.00 H new ATOM 1696 N MET A 110 111.312 13.982 3.062 1.00 0.00 N ATOM 1697 CA MET A 110 111.252 12.647 2.475 1.00 0.00 C ATOM 1698 C MET A 110 109.842 12.066 2.582 1.00 0.00 C ATOM 1699 O MET A 110 109.098 12.390 3.513 1.00 0.00 O ATOM 1700 CB MET A 110 112.272 11.725 3.160 1.00 0.00 C ATOM 1701 CG MET A 110 112.371 10.338 2.543 1.00 0.00 C ATOM 1702 SD MET A 110 113.658 9.325 3.301 1.00 0.00 S ATOM 1703 CE MET A 110 113.139 9.332 5.013 1.00 0.00 C ATOM 0 H MET A 110 111.971 14.068 3.835 1.00 0.00 H new ATOM 0 HA MET A 110 111.502 12.723 1.417 1.00 0.00 H new ATOM 0 HB2 MET A 110 113.254 12.197 3.124 1.00 0.00 H new ATOM 0 HB3 MET A 110 112.005 11.624 4.212 1.00 0.00 H new ATOM 0 HG2 MET A 110 111.411 9.832 2.643 1.00 0.00 H new ATOM 0 HG3 MET A 110 112.572 10.434 1.476 1.00 0.00 H new ATOM 0 HE1 MET A 110 113.885 9.848 5.617 1.00 0.00 H new ATOM 0 HE2 MET A 110 112.182 9.846 5.101 1.00 0.00 H new ATOM 0 HE3 MET A 110 113.033 8.306 5.365 1.00 0.00 H new ATOM 1713 N ALA A 111 109.490 11.211 1.622 1.00 0.00 N ATOM 1714 CA ALA A 111 108.154 10.617 1.547 1.00 0.00 C ATOM 1715 C ALA A 111 107.744 9.946 2.856 1.00 0.00 C ATOM 1716 O ALA A 111 106.572 9.964 3.216 1.00 0.00 O ATOM 1717 CB ALA A 111 108.083 9.614 0.402 1.00 0.00 C ATOM 0 H ALA A 111 110.119 10.911 0.877 1.00 0.00 H new ATOM 0 HA ALA A 111 107.452 11.430 1.362 1.00 0.00 H new ATOM 0 HB1 ALA A 111 107.084 9.181 0.359 1.00 0.00 H new ATOM 0 HB2 ALA A 111 108.300 10.120 -0.539 1.00 0.00 H new ATOM 0 HB3 ALA A 111 108.815 8.823 0.566 1.00 0.00 H new ATOM 1723 N LEU A 112 108.713 9.383 3.570 1.00 0.00 N ATOM 1724 CA LEU A 112 108.438 8.678 4.823 1.00 0.00 C ATOM 1725 C LEU A 112 107.923 9.639 5.894 1.00 0.00 C ATOM 1726 O LEU A 112 107.146 9.253 6.771 1.00 0.00 O ATOM 1727 CB LEU A 112 109.703 7.965 5.315 1.00 0.00 C ATOM 1728 CG LEU A 112 109.537 7.131 6.590 1.00 0.00 C ATOM 1729 CD1 LEU A 112 108.537 6.004 6.370 1.00 0.00 C ATOM 1730 CD2 LEU A 112 110.881 6.574 7.038 1.00 0.00 C ATOM 0 H LEU A 112 109.698 9.400 3.305 1.00 0.00 H new ATOM 0 HA LEU A 112 107.662 7.937 4.633 1.00 0.00 H new ATOM 0 HB2 LEU A 112 110.064 7.313 4.520 1.00 0.00 H new ATOM 0 HB3 LEU A 112 110.476 8.713 5.489 1.00 0.00 H new ATOM 0 HG LEU A 112 109.151 7.779 7.377 1.00 0.00 H new ATOM 0 HD11 LEU A 112 108.434 5.424 7.287 1.00 0.00 H new ATOM 0 HD12 LEU A 112 107.569 6.424 6.096 1.00 0.00 H new ATOM 0 HD13 LEU A 112 108.891 5.355 5.569 1.00 0.00 H new ATOM 0 HD21 LEU A 112 110.746 5.984 7.945 1.00 0.00 H new ATOM 0 HD22 LEU A 112 111.293 5.942 6.252 1.00 0.00 H new ATOM 0 HD23 LEU A 112 111.567 7.397 7.239 1.00 0.00 H new ATOM 1742 N MET A 113 108.353 10.893 5.816 1.00 0.00 N ATOM 1743 CA MET A 113 107.935 11.901 6.779 1.00 0.00 C ATOM 1744 C MET A 113 106.576 12.459 6.377 1.00 0.00 C ATOM 1745 O MET A 113 105.774 12.858 7.222 1.00 0.00 O ATOM 1746 CB MET A 113 108.962 13.030 6.853 1.00 0.00 C ATOM 1747 CG MET A 113 108.834 13.890 8.102 1.00 0.00 C ATOM 1748 SD MET A 113 109.348 13.020 9.598 1.00 0.00 S ATOM 1749 CE MET A 113 111.066 12.680 9.215 1.00 0.00 C ATOM 0 H MET A 113 108.990 11.234 5.096 1.00 0.00 H new ATOM 0 HA MET A 113 107.860 11.438 7.763 1.00 0.00 H new ATOM 0 HB2 MET A 113 109.964 12.601 6.818 1.00 0.00 H new ATOM 0 HB3 MET A 113 108.856 13.664 5.973 1.00 0.00 H new ATOM 0 HG2 MET A 113 109.438 14.789 7.983 1.00 0.00 H new ATOM 0 HG3 MET A 113 107.799 14.214 8.212 1.00 0.00 H new ATOM 0 HE1 MET A 113 111.230 11.602 9.205 1.00 0.00 H new ATOM 0 HE2 MET A 113 111.309 13.094 8.236 1.00 0.00 H new ATOM 0 HE3 MET A 113 111.705 13.137 9.971 1.00 0.00 H new ATOM 1759 N LYS A 114 106.330 12.477 5.073 1.00 0.00 N ATOM 1760 CA LYS A 114 105.053 12.923 4.537 1.00 0.00 C ATOM 1761 C LYS A 114 103.977 11.864 4.757 1.00 0.00 C ATOM 1762 O LYS A 114 102.937 12.134 5.360 1.00 0.00 O ATOM 1763 CB LYS A 114 105.177 13.225 3.039 1.00 0.00 C ATOM 1764 CG LYS A 114 105.880 14.533 2.713 1.00 0.00 C ATOM 1765 CD LYS A 114 106.072 14.693 1.209 1.00 0.00 C ATOM 1766 CE LYS A 114 106.418 16.126 0.820 1.00 0.00 C ATOM 1767 NZ LYS A 114 107.586 16.651 1.572 1.00 0.00 N ATOM 0 H LYS A 114 107.003 12.186 4.364 1.00 0.00 H new ATOM 0 HA LYS A 114 104.766 13.833 5.063 1.00 0.00 H new ATOM 0 HB2 LYS A 114 105.718 12.408 2.561 1.00 0.00 H new ATOM 0 HB3 LYS A 114 104.179 13.246 2.602 1.00 0.00 H new ATOM 0 HG2 LYS A 114 105.297 15.369 3.099 1.00 0.00 H new ATOM 0 HG3 LYS A 114 106.849 14.563 3.212 1.00 0.00 H new ATOM 0 HD2 LYS A 114 106.866 14.026 0.873 1.00 0.00 H new ATOM 0 HD3 LYS A 114 105.161 14.389 0.694 1.00 0.00 H new ATOM 0 HE2 LYS A 114 106.628 16.169 -0.249 1.00 0.00 H new ATOM 0 HE3 LYS A 114 105.555 16.767 1.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 108.092 17.346 0.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 107.259 17.108 2.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 108.226 15.867 1.810 1.00 0.00 H new ATOM 1781 N TYR A 115 104.238 10.657 4.274 1.00 0.00 N ATOM 1782 CA TYR A 115 103.269 9.576 4.338 1.00 0.00 C ATOM 1783 C TYR A 115 103.907 8.335 4.949 1.00 0.00 C ATOM 1784 O TYR A 115 104.646 7.616 4.283 1.00 0.00 O ATOM 1785 CB TYR A 115 102.747 9.231 2.936 1.00 0.00 C ATOM 1786 CG TYR A 115 102.559 10.429 2.028 1.00 0.00 C ATOM 1787 CD1 TYR A 115 101.458 11.268 2.156 1.00 0.00 C ATOM 1788 CD2 TYR A 115 103.494 10.721 1.041 1.00 0.00 C ATOM 1789 CE1 TYR A 115 101.296 12.361 1.326 1.00 0.00 C ATOM 1790 CE2 TYR A 115 103.338 11.813 0.210 1.00 0.00 C ATOM 1791 CZ TYR A 115 102.239 12.629 0.356 1.00 0.00 C ATOM 1792 OH TYR A 115 102.082 13.719 -0.472 1.00 0.00 O ATOM 0 H TYR A 115 105.121 10.403 3.830 1.00 0.00 H new ATOM 0 HA TYR A 115 102.436 9.906 4.959 1.00 0.00 H new ATOM 0 HB2 TYR A 115 103.442 8.537 2.463 1.00 0.00 H new ATOM 0 HB3 TYR A 115 101.794 8.711 3.034 1.00 0.00 H new ATOM 0 HD1 TYR A 115 100.718 11.063 2.915 1.00 0.00 H new ATOM 0 HD2 TYR A 115 104.357 10.083 0.922 1.00 0.00 H new ATOM 0 HE1 TYR A 115 100.434 13.003 1.437 1.00 0.00 H new ATOM 0 HE2 TYR A 115 104.075 12.026 -0.551 1.00 0.00 H new ATOM 0 HH TYR A 115 102.835 13.765 -1.098 1.00 0.00 H new ATOM 1802 N SER A 116 103.613 8.076 6.214 1.00 0.00 N ATOM 1803 CA SER A 116 104.153 6.909 6.892 1.00 0.00 C ATOM 1804 C SER A 116 103.350 5.664 6.515 1.00 0.00 C ATOM 1805 O SER A 116 103.665 4.546 6.931 1.00 0.00 O ATOM 1806 CB SER A 116 104.135 7.124 8.406 1.00 0.00 C ATOM 1807 OG SER A 116 104.864 8.289 8.761 1.00 0.00 O ATOM 0 H SER A 116 103.005 8.657 6.790 1.00 0.00 H new ATOM 0 HA SER A 116 105.186 6.762 6.577 1.00 0.00 H new ATOM 0 HB2 SER A 116 103.105 7.215 8.752 1.00 0.00 H new ATOM 0 HB3 SER A 116 104.564 6.255 8.906 1.00 0.00 H new ATOM 0 HG SER A 116 105.534 8.478 8.071 1.00 0.00 H new ATOM 1813 N ARG A 117 102.312 5.876 5.716 1.00 0.00 N ATOM 1814 CA ARG A 117 101.461 4.797 5.238 1.00 0.00 C ATOM 1815 C ARG A 117 102.090 4.109 4.026 1.00 0.00 C ATOM 1816 O ARG A 117 102.066 2.881 3.917 1.00 0.00 O ATOM 1817 CB ARG A 117 100.085 5.353 4.859 1.00 0.00 C ATOM 1818 CG ARG A 117 99.100 4.305 4.361 1.00 0.00 C ATOM 1819 CD ARG A 117 98.285 3.695 5.494 1.00 0.00 C ATOM 1820 NE ARG A 117 99.112 3.042 6.509 1.00 0.00 N ATOM 1821 CZ ARG A 117 98.838 1.846 7.030 1.00 0.00 C ATOM 1822 NH1 ARG A 117 97.785 1.161 6.602 1.00 0.00 N ATOM 1823 NH2 ARG A 117 99.609 1.335 7.982 1.00 0.00 N ATOM 0 H ARG A 117 102.038 6.800 5.382 1.00 0.00 H new ATOM 0 HA ARG A 117 101.351 4.063 6.036 1.00 0.00 H new ATOM 0 HB2 ARG A 117 99.657 5.853 5.728 1.00 0.00 H new ATOM 0 HB3 ARG A 117 100.213 6.111 4.086 1.00 0.00 H new ATOM 0 HG2 ARG A 117 98.426 4.759 3.635 1.00 0.00 H new ATOM 0 HG3 ARG A 117 99.644 3.516 3.842 1.00 0.00 H new ATOM 0 HD2 ARG A 117 97.690 4.476 5.967 1.00 0.00 H new ATOM 0 HD3 ARG A 117 97.586 2.968 5.080 1.00 0.00 H new ATOM 0 HE ARG A 117 99.946 3.530 6.837 1.00 0.00 H new ATOM 0 HH11 ARG A 117 97.185 1.550 5.874 1.00 0.00 H new ATOM 0 HH12 ARG A 117 97.576 0.246 7.001 1.00 0.00 H new ATOM 0 HH21 ARG A 117 100.417 1.858 8.319 1.00 0.00 H new ATOM 0 HH22 ARG A 117 99.393 0.419 8.376 1.00 0.00 H new ATOM 1837 N LEU A 118 102.673 4.914 3.144 1.00 0.00 N ATOM 1838 CA LEU A 118 103.185 4.438 1.860 1.00 0.00 C ATOM 1839 C LEU A 118 104.276 3.384 2.050 1.00 0.00 C ATOM 1840 O LEU A 118 105.170 3.540 2.881 1.00 0.00 O ATOM 1841 CB LEU A 118 103.719 5.622 1.044 1.00 0.00 C ATOM 1842 CG LEU A 118 104.105 5.315 -0.406 1.00 0.00 C ATOM 1843 CD1 LEU A 118 102.899 4.831 -1.198 1.00 0.00 C ATOM 1844 CD2 LEU A 118 104.709 6.549 -1.063 1.00 0.00 C ATOM 0 H LEU A 118 102.805 5.914 3.297 1.00 0.00 H new ATOM 0 HA LEU A 118 102.365 3.968 1.318 1.00 0.00 H new ATOM 0 HB2 LEU A 118 102.962 6.406 1.040 1.00 0.00 H new ATOM 0 HB3 LEU A 118 104.593 6.025 1.555 1.00 0.00 H new ATOM 0 HG LEU A 118 104.850 4.519 -0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 118 103.199 4.620 -2.224 1.00 0.00 H new ATOM 0 HD12 LEU A 118 102.504 3.924 -0.741 1.00 0.00 H new ATOM 0 HD13 LEU A 118 102.129 5.603 -1.196 1.00 0.00 H new ATOM 0 HD21 LEU A 118 104.979 6.317 -2.093 1.00 0.00 H new ATOM 0 HD22 LEU A 118 103.981 7.360 -1.052 1.00 0.00 H new ATOM 0 HD23 LEU A 118 105.600 6.854 -0.514 1.00 0.00 H new ATOM 1856 N SER A 119 104.183 2.304 1.284 1.00 0.00 N ATOM 1857 CA SER A 119 105.134 1.208 1.381 1.00 0.00 C ATOM 1858 C SER A 119 106.284 1.383 0.390 1.00 0.00 C ATOM 1859 O SER A 119 107.452 1.304 0.766 1.00 0.00 O ATOM 1860 CB SER A 119 104.409 -0.116 1.140 1.00 0.00 C ATOM 1861 OG SER A 119 103.540 -0.021 0.020 1.00 0.00 O ATOM 0 H SER A 119 103.453 2.165 0.585 1.00 0.00 H new ATOM 0 HA SER A 119 105.565 1.206 2.382 1.00 0.00 H new ATOM 0 HB2 SER A 119 105.138 -0.909 0.974 1.00 0.00 H new ATOM 0 HB3 SER A 119 103.837 -0.389 2.027 1.00 0.00 H new ATOM 0 HG SER A 119 103.088 -0.880 -0.117 1.00 0.00 H new ATOM 1867 N VAL A 120 105.947 1.604 -0.875 1.00 0.00 N ATOM 1868 CA VAL A 120 106.950 1.846 -1.904 1.00 0.00 C ATOM 1869 C VAL A 120 107.073 3.343 -2.168 1.00 0.00 C ATOM 1870 O VAL A 120 106.242 3.941 -2.857 1.00 0.00 O ATOM 1871 CB VAL A 120 106.616 1.108 -3.219 1.00 0.00 C ATOM 1872 CG1 VAL A 120 107.662 1.397 -4.285 1.00 0.00 C ATOM 1873 CG2 VAL A 120 106.498 -0.391 -2.978 1.00 0.00 C ATOM 0 H VAL A 120 104.985 1.621 -1.213 1.00 0.00 H new ATOM 0 HA VAL A 120 107.900 1.457 -1.537 1.00 0.00 H new ATOM 0 HB VAL A 120 105.655 1.476 -3.578 1.00 0.00 H new ATOM 0 HG11 VAL A 120 107.404 0.866 -5.201 1.00 0.00 H new ATOM 0 HG12 VAL A 120 107.693 2.468 -4.483 1.00 0.00 H new ATOM 0 HG13 VAL A 120 108.639 1.064 -3.935 1.00 0.00 H new ATOM 0 HG21 VAL A 120 106.262 -0.893 -3.916 1.00 0.00 H new ATOM 0 HG22 VAL A 120 107.442 -0.773 -2.590 1.00 0.00 H new ATOM 0 HG23 VAL A 120 105.705 -0.582 -2.255 1.00 0.00 H new ATOM 1883 N GLN A 121 108.102 3.940 -1.596 1.00 0.00 N ATOM 1884 CA GLN A 121 108.267 5.383 -1.621 1.00 0.00 C ATOM 1885 C GLN A 121 109.407 5.790 -2.549 1.00 0.00 C ATOM 1886 O GLN A 121 110.376 5.052 -2.706 1.00 0.00 O ATOM 1887 CB GLN A 121 108.539 5.874 -0.201 1.00 0.00 C ATOM 1888 CG GLN A 121 107.524 5.367 0.809 1.00 0.00 C ATOM 1889 CD GLN A 121 107.897 5.710 2.232 1.00 0.00 C ATOM 1890 OE1 GLN A 121 107.525 6.759 2.743 1.00 0.00 O ATOM 1891 NE2 GLN A 121 108.635 4.826 2.879 1.00 0.00 N ATOM 0 H GLN A 121 108.844 3.442 -1.103 1.00 0.00 H new ATOM 0 HA GLN A 121 107.353 5.839 -2.002 1.00 0.00 H new ATOM 0 HB2 GLN A 121 109.536 5.555 0.103 1.00 0.00 H new ATOM 0 HB3 GLN A 121 108.537 6.964 -0.193 1.00 0.00 H new ATOM 0 HG2 GLN A 121 106.547 5.793 0.581 1.00 0.00 H new ATOM 0 HG3 GLN A 121 107.431 4.285 0.713 1.00 0.00 H new ATOM 0 HE21 GLN A 121 108.923 3.965 2.415 1.00 0.00 H new ATOM 0 HE22 GLN A 121 108.917 5.005 3.843 1.00 0.00 H new ATOM 1900 N PRO A 122 109.296 6.964 -3.187 1.00 0.00 N ATOM 1901 CA PRO A 122 110.335 7.504 -4.054 1.00 0.00 C ATOM 1902 C PRO A 122 111.362 8.327 -3.277 1.00 0.00 C ATOM 1903 O PRO A 122 111.000 9.158 -2.442 1.00 0.00 O ATOM 1904 CB PRO A 122 109.557 8.403 -5.027 1.00 0.00 C ATOM 1905 CG PRO A 122 108.153 8.495 -4.498 1.00 0.00 C ATOM 1906 CD PRO A 122 108.144 7.863 -3.132 1.00 0.00 C ATOM 0 HA PRO A 122 110.907 6.717 -4.545 1.00 0.00 H new ATOM 0 HB2 PRO A 122 110.013 9.391 -5.090 1.00 0.00 H new ATOM 0 HB3 PRO A 122 109.565 7.983 -6.033 1.00 0.00 H new ATOM 0 HG2 PRO A 122 107.831 9.535 -4.442 1.00 0.00 H new ATOM 0 HG3 PRO A 122 107.458 7.982 -5.163 1.00 0.00 H new ATOM 0 HD2 PRO A 122 108.247 8.606 -2.341 1.00 0.00 H new ATOM 0 HD3 PRO A 122 107.217 7.322 -2.942 1.00 0.00 H new ATOM 1914 N VAL A 123 112.638 8.095 -3.557 1.00 0.00 N ATOM 1915 CA VAL A 123 113.714 8.809 -2.885 1.00 0.00 C ATOM 1916 C VAL A 123 114.651 9.445 -3.909 1.00 0.00 C ATOM 1917 O VAL A 123 115.163 8.772 -4.803 1.00 0.00 O ATOM 1918 CB VAL A 123 114.520 7.867 -1.958 1.00 0.00 C ATOM 1919 CG1 VAL A 123 115.684 8.599 -1.315 1.00 0.00 C ATOM 1920 CG2 VAL A 123 113.619 7.269 -0.888 1.00 0.00 C ATOM 0 H VAL A 123 112.953 7.414 -4.248 1.00 0.00 H new ATOM 0 HA VAL A 123 113.262 9.590 -2.274 1.00 0.00 H new ATOM 0 HB VAL A 123 114.921 7.059 -2.570 1.00 0.00 H new ATOM 0 HG11 VAL A 123 116.233 7.914 -0.669 1.00 0.00 H new ATOM 0 HG12 VAL A 123 116.349 8.977 -2.091 1.00 0.00 H new ATOM 0 HG13 VAL A 123 115.307 9.432 -0.722 1.00 0.00 H new ATOM 0 HG21 VAL A 123 114.204 6.610 -0.247 1.00 0.00 H new ATOM 0 HG22 VAL A 123 113.186 8.069 -0.288 1.00 0.00 H new ATOM 0 HG23 VAL A 123 112.820 6.699 -1.362 1.00 0.00 H new ATOM 1930 N THR A 124 114.859 10.745 -3.789 1.00 0.00 N ATOM 1931 CA THR A 124 115.744 11.460 -4.694 1.00 0.00 C ATOM 1932 C THR A 124 117.199 11.293 -4.268 1.00 0.00 C ATOM 1933 O THR A 124 117.479 10.782 -3.181 1.00 0.00 O ATOM 1934 CB THR A 124 115.388 12.959 -4.762 1.00 0.00 C ATOM 1935 OG1 THR A 124 115.355 13.522 -3.444 1.00 0.00 O ATOM 1936 CG2 THR A 124 114.041 13.163 -5.438 1.00 0.00 C ATOM 0 H THR A 124 114.427 11.328 -3.073 1.00 0.00 H new ATOM 0 HA THR A 124 115.612 11.031 -5.687 1.00 0.00 H new ATOM 0 HB THR A 124 116.155 13.463 -5.350 1.00 0.00 H new ATOM 0 HG1 THR A 124 114.537 13.237 -2.987 1.00 0.00 H new ATOM 0 HG21 THR A 124 113.810 14.228 -5.475 1.00 0.00 H new ATOM 0 HG22 THR A 124 114.079 12.764 -6.452 1.00 0.00 H new ATOM 0 HG23 THR A 124 113.268 12.643 -4.872 1.00 0.00 H new ATOM 1944 N ALA A 125 118.120 11.732 -5.117 1.00 0.00 N ATOM 1945 CA ALA A 125 119.544 11.597 -4.839 1.00 0.00 C ATOM 1946 C ALA A 125 119.920 12.332 -3.561 1.00 0.00 C ATOM 1947 O ALA A 125 120.711 11.837 -2.763 1.00 0.00 O ATOM 1948 CB ALA A 125 120.365 12.115 -6.010 1.00 0.00 C ATOM 0 H ALA A 125 117.905 12.185 -6.005 1.00 0.00 H new ATOM 0 HA ALA A 125 119.764 10.539 -4.700 1.00 0.00 H new ATOM 0 HB1 ALA A 125 121.426 12.007 -5.786 1.00 0.00 H new ATOM 0 HB2 ALA A 125 120.123 11.543 -6.906 1.00 0.00 H new ATOM 0 HB3 ALA A 125 120.135 13.167 -6.179 1.00 0.00 H new ATOM 1954 N GLU A 126 119.334 13.507 -3.373 1.00 0.00 N ATOM 1955 CA GLU A 126 119.577 14.318 -2.186 1.00 0.00 C ATOM 1956 C GLU A 126 119.256 13.534 -0.916 1.00 0.00 C ATOM 1957 O GLU A 126 120.087 13.425 -0.010 1.00 0.00 O ATOM 1958 CB GLU A 126 118.729 15.593 -2.234 1.00 0.00 C ATOM 1959 CG GLU A 126 119.216 16.640 -3.232 1.00 0.00 C ATOM 1960 CD GLU A 126 119.235 16.156 -4.671 1.00 0.00 C ATOM 1961 OE1 GLU A 126 118.313 15.416 -5.076 1.00 0.00 O ATOM 1962 OE2 GLU A 126 120.172 16.522 -5.408 1.00 0.00 O ATOM 0 H GLU A 126 118.680 13.924 -4.035 1.00 0.00 H new ATOM 0 HA GLU A 126 120.633 14.588 -2.171 1.00 0.00 H new ATOM 0 HB2 GLU A 126 117.703 15.322 -2.482 1.00 0.00 H new ATOM 0 HB3 GLU A 126 118.709 16.039 -1.240 1.00 0.00 H new ATOM 0 HG2 GLU A 126 118.575 17.519 -3.163 1.00 0.00 H new ATOM 0 HG3 GLU A 126 120.221 16.955 -2.952 1.00 0.00 H new ATOM 1969 N GLU A 127 118.053 12.977 -0.873 1.00 0.00 N ATOM 1970 CA GLU A 127 117.592 12.210 0.278 1.00 0.00 C ATOM 1971 C GLU A 127 118.416 10.936 0.434 1.00 0.00 C ATOM 1972 O GLU A 127 118.869 10.604 1.533 1.00 0.00 O ATOM 1973 CB GLU A 127 116.112 11.857 0.104 1.00 0.00 C ATOM 1974 CG GLU A 127 115.221 13.067 -0.121 1.00 0.00 C ATOM 1975 CD GLU A 127 113.863 12.695 -0.682 1.00 0.00 C ATOM 1976 OE1 GLU A 127 113.808 12.251 -1.849 1.00 0.00 O ATOM 1977 OE2 GLU A 127 112.851 12.869 0.023 1.00 0.00 O ATOM 0 H GLU A 127 117.372 13.043 -1.630 1.00 0.00 H new ATOM 0 HA GLU A 127 117.715 12.815 1.176 1.00 0.00 H new ATOM 0 HB2 GLU A 127 116.006 11.176 -0.741 1.00 0.00 H new ATOM 0 HB3 GLU A 127 115.768 11.322 0.989 1.00 0.00 H new ATOM 0 HG2 GLU A 127 115.088 13.596 0.823 1.00 0.00 H new ATOM 0 HG3 GLU A 127 115.716 13.756 -0.805 1.00 0.00 H new ATOM 1984 N TRP A 128 118.621 10.245 -0.683 1.00 0.00 N ATOM 1985 CA TRP A 128 119.368 8.993 -0.708 1.00 0.00 C ATOM 1986 C TRP A 128 120.778 9.174 -0.152 1.00 0.00 C ATOM 1987 O TRP A 128 121.185 8.481 0.785 1.00 0.00 O ATOM 1988 CB TRP A 128 119.440 8.462 -2.146 1.00 0.00 C ATOM 1989 CG TRP A 128 120.189 7.172 -2.277 1.00 0.00 C ATOM 1990 CD1 TRP A 128 121.516 7.017 -2.562 1.00 0.00 C ATOM 1991 CD2 TRP A 128 119.654 5.854 -2.129 1.00 0.00 C ATOM 1992 NE1 TRP A 128 121.838 5.683 -2.591 1.00 0.00 N ATOM 1993 CE2 TRP A 128 120.712 4.949 -2.328 1.00 0.00 C ATOM 1994 CE3 TRP A 128 118.383 5.353 -1.843 1.00 0.00 C ATOM 1995 CZ2 TRP A 128 120.535 3.573 -2.249 1.00 0.00 C ATOM 1996 CZ3 TRP A 128 118.210 3.987 -1.766 1.00 0.00 C ATOM 1997 CH2 TRP A 128 119.280 3.111 -1.968 1.00 0.00 C ATOM 0 H TRP A 128 118.274 10.538 -1.596 1.00 0.00 H new ATOM 0 HA TRP A 128 118.846 8.275 -0.076 1.00 0.00 H new ATOM 0 HB2 TRP A 128 118.427 8.323 -2.523 1.00 0.00 H new ATOM 0 HB3 TRP A 128 119.915 9.213 -2.777 1.00 0.00 H new ATOM 0 HD1 TRP A 128 122.210 7.825 -2.739 1.00 0.00 H new ATOM 0 HE1 TRP A 128 122.765 5.301 -2.778 1.00 0.00 H new ATOM 0 HE3 TRP A 128 117.551 6.023 -1.685 1.00 0.00 H new ATOM 0 HZ2 TRP A 128 121.360 2.893 -2.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 128 117.231 3.587 -1.546 1.00 0.00 H new ATOM 0 HH2 TRP A 128 119.111 2.046 -1.901 1.00 0.00 H new ATOM 2008 N LYS A 129 121.515 10.114 -0.728 1.00 0.00 N ATOM 2009 CA LYS A 129 122.906 10.337 -0.355 1.00 0.00 C ATOM 2010 C LYS A 129 123.021 10.815 1.086 1.00 0.00 C ATOM 2011 O LYS A 129 123.999 10.509 1.770 1.00 0.00 O ATOM 2012 CB LYS A 129 123.555 11.346 -1.305 1.00 0.00 C ATOM 2013 CG LYS A 129 123.650 10.852 -2.742 1.00 0.00 C ATOM 2014 CD LYS A 129 124.120 11.947 -3.689 1.00 0.00 C ATOM 2015 CE LYS A 129 125.510 12.450 -3.331 1.00 0.00 C ATOM 2016 NZ LYS A 129 125.965 13.510 -4.267 1.00 0.00 N ATOM 0 H LYS A 129 121.171 10.737 -1.459 1.00 0.00 H new ATOM 0 HA LYS A 129 123.433 9.386 -0.436 1.00 0.00 H new ATOM 0 HB2 LYS A 129 122.982 12.273 -1.285 1.00 0.00 H new ATOM 0 HB3 LYS A 129 124.556 11.582 -0.943 1.00 0.00 H new ATOM 0 HG2 LYS A 129 124.339 10.009 -2.791 1.00 0.00 H new ATOM 0 HG3 LYS A 129 122.675 10.486 -3.065 1.00 0.00 H new ATOM 0 HD2 LYS A 129 124.124 11.566 -4.710 1.00 0.00 H new ATOM 0 HD3 LYS A 129 123.415 12.778 -3.661 1.00 0.00 H new ATOM 0 HE2 LYS A 129 125.506 12.840 -2.313 1.00 0.00 H new ATOM 0 HE3 LYS A 129 126.215 11.619 -3.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 126.916 13.830 -3.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 125.992 13.130 -5.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 125.305 14.313 -4.229 1.00 0.00 H new ATOM 2030 N LEU A 130 122.020 11.553 1.550 1.00 0.00 N ATOM 2031 CA LEU A 130 122.021 12.047 2.919 1.00 0.00 C ATOM 2032 C LEU A 130 121.982 10.889 3.909 1.00 0.00 C ATOM 2033 O LEU A 130 122.851 10.782 4.769 1.00 0.00 O ATOM 2034 CB LEU A 130 120.841 12.989 3.169 1.00 0.00 C ATOM 2035 CG LEU A 130 120.765 13.554 4.589 1.00 0.00 C ATOM 2036 CD1 LEU A 130 122.027 14.331 4.925 1.00 0.00 C ATOM 2037 CD2 LEU A 130 119.542 14.438 4.753 1.00 0.00 C ATOM 0 H LEU A 130 121.203 11.821 1.002 1.00 0.00 H new ATOM 0 HA LEU A 130 122.944 12.607 3.067 1.00 0.00 H new ATOM 0 HB2 LEU A 130 120.900 13.819 2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 130 119.915 12.455 2.955 1.00 0.00 H new ATOM 0 HG LEU A 130 120.679 12.717 5.281 1.00 0.00 H new ATOM 0 HD11 LEU A 130 121.953 14.724 5.939 1.00 0.00 H new ATOM 0 HD12 LEU A 130 122.891 13.670 4.854 1.00 0.00 H new ATOM 0 HD13 LEU A 130 122.144 15.157 4.223 1.00 0.00 H new ATOM 0 HD21 LEU A 130 119.509 14.828 5.770 1.00 0.00 H new ATOM 0 HD22 LEU A 130 119.595 15.267 4.048 1.00 0.00 H new ATOM 0 HD23 LEU A 130 118.642 13.854 4.559 1.00 0.00 H new ATOM 2049 N VAL A 131 120.990 10.013 3.766 1.00 0.00 N ATOM 2050 CA VAL A 131 120.818 8.893 4.689 1.00 0.00 C ATOM 2051 C VAL A 131 122.023 7.954 4.649 1.00 0.00 C ATOM 2052 O VAL A 131 122.434 7.416 5.678 1.00 0.00 O ATOM 2053 CB VAL A 131 119.528 8.099 4.391 1.00 0.00 C ATOM 2054 CG1 VAL A 131 119.371 6.930 5.354 1.00 0.00 C ATOM 2055 CG2 VAL A 131 118.314 9.011 4.467 1.00 0.00 C ATOM 0 H VAL A 131 120.294 10.057 3.021 1.00 0.00 H new ATOM 0 HA VAL A 131 120.735 9.319 5.689 1.00 0.00 H new ATOM 0 HB VAL A 131 119.604 7.699 3.380 1.00 0.00 H new ATOM 0 HG11 VAL A 131 118.454 6.388 5.122 1.00 0.00 H new ATOM 0 HG12 VAL A 131 120.224 6.259 5.254 1.00 0.00 H new ATOM 0 HG13 VAL A 131 119.322 7.305 6.376 1.00 0.00 H new ATOM 0 HG21 VAL A 131 117.413 8.436 4.254 1.00 0.00 H new ATOM 0 HG22 VAL A 131 118.243 9.440 5.467 1.00 0.00 H new ATOM 0 HG23 VAL A 131 118.414 9.812 3.735 1.00 0.00 H new ATOM 2065 N CYS A 132 122.594 7.775 3.463 1.00 0.00 N ATOM 2066 CA CYS A 132 123.799 6.966 3.313 1.00 0.00 C ATOM 2067 C CYS A 132 124.919 7.511 4.192 1.00 0.00 C ATOM 2068 O CYS A 132 125.425 6.811 5.070 1.00 0.00 O ATOM 2069 CB CYS A 132 124.244 6.931 1.850 1.00 0.00 C ATOM 2070 SG CYS A 132 123.049 6.160 0.731 1.00 0.00 S ATOM 0 H CYS A 132 122.244 8.178 2.594 1.00 0.00 H new ATOM 0 HA CYS A 132 123.570 5.949 3.630 1.00 0.00 H new ATOM 0 HB2 CYS A 132 124.434 7.951 1.515 1.00 0.00 H new ATOM 0 HB3 CYS A 132 125.189 6.392 1.782 1.00 0.00 H new ATOM 0 HG CYS A 132 122.020 6.941 0.590 1.00 0.00 H new ATOM 2076 N LYS A 133 125.284 8.770 3.977 1.00 0.00 N ATOM 2077 CA LYS A 133 126.334 9.405 4.765 1.00 0.00 C ATOM 2078 C LYS A 133 125.951 9.426 6.242 1.00 0.00 C ATOM 2079 O LYS A 133 126.790 9.232 7.123 1.00 0.00 O ATOM 2080 CB LYS A 133 126.567 10.842 4.301 1.00 0.00 C ATOM 2081 CG LYS A 133 126.872 10.999 2.821 1.00 0.00 C ATOM 2082 CD LYS A 133 127.215 12.446 2.480 1.00 0.00 C ATOM 2083 CE LYS A 133 126.062 13.394 2.792 1.00 0.00 C ATOM 2084 NZ LYS A 133 126.468 14.823 2.670 1.00 0.00 N ATOM 0 H LYS A 133 124.869 9.370 3.265 1.00 0.00 H new ATOM 0 HA LYS A 133 127.247 8.826 4.627 1.00 0.00 H new ATOM 0 HB2 LYS A 133 125.682 11.432 4.538 1.00 0.00 H new ATOM 0 HB3 LYS A 133 127.394 11.263 4.873 1.00 0.00 H new ATOM 0 HG2 LYS A 133 127.705 10.351 2.548 1.00 0.00 H new ATOM 0 HG3 LYS A 133 126.012 10.678 2.233 1.00 0.00 H new ATOM 0 HD2 LYS A 133 128.098 12.752 3.042 1.00 0.00 H new ATOM 0 HD3 LYS A 133 127.469 12.519 1.422 1.00 0.00 H new ATOM 0 HE2 LYS A 133 125.233 13.193 2.113 1.00 0.00 H new ATOM 0 HE3 LYS A 133 125.700 13.205 3.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 125.656 15.435 2.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 127.242 15.022 3.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 126.790 15.011 1.699 1.00 0.00 H new ATOM 2098 N MET A 134 124.664 9.647 6.485 1.00 0.00 N ATOM 2099 CA MET A 134 124.109 9.776 7.828 1.00 0.00 C ATOM 2100 C MET A 134 124.338 8.503 8.643 1.00 0.00 C ATOM 2101 O MET A 134 124.523 8.558 9.858 1.00 0.00 O ATOM 2102 CB MET A 134 122.611 10.078 7.707 1.00 0.00 C ATOM 2103 CG MET A 134 122.014 10.869 8.860 1.00 0.00 C ATOM 2104 SD MET A 134 121.726 9.882 10.337 1.00 0.00 S ATOM 2105 CE MET A 134 120.723 11.032 11.269 1.00 0.00 C ATOM 0 H MET A 134 123.968 9.743 5.746 1.00 0.00 H new ATOM 0 HA MET A 134 124.611 10.589 8.352 1.00 0.00 H new ATOM 0 HB2 MET A 134 122.442 10.630 6.783 1.00 0.00 H new ATOM 0 HB3 MET A 134 122.073 9.134 7.618 1.00 0.00 H new ATOM 0 HG2 MET A 134 122.682 11.694 9.109 1.00 0.00 H new ATOM 0 HG3 MET A 134 121.070 11.309 8.538 1.00 0.00 H new ATOM 0 HE1 MET A 134 120.855 10.848 12.335 1.00 0.00 H new ATOM 0 HE2 MET A 134 121.028 12.052 11.036 1.00 0.00 H new ATOM 0 HE3 MET A 134 119.674 10.897 11.005 1.00 0.00 H new ATOM 2115 N GLY A 135 124.353 7.362 7.963 1.00 0.00 N ATOM 2116 CA GLY A 135 124.553 6.093 8.639 1.00 0.00 C ATOM 2117 C GLY A 135 126.020 5.771 8.869 1.00 0.00 C ATOM 2118 O GLY A 135 126.363 4.634 9.202 1.00 0.00 O ATOM 0 H GLY A 135 124.230 7.293 6.953 1.00 0.00 H new ATOM 0 HA2 GLY A 135 124.036 6.112 9.598 1.00 0.00 H new ATOM 0 HA3 GLY A 135 124.100 5.297 8.048 1.00 0.00 H new ATOM 2122 N GLY A 136 126.885 6.765 8.686 1.00 0.00 N ATOM 2123 CA GLY A 136 128.306 6.577 8.920 1.00 0.00 C ATOM 2124 C GLY A 136 128.989 5.867 7.769 1.00 0.00 C ATOM 2125 O GLY A 136 130.000 5.190 7.953 1.00 0.00 O ATOM 0 H GLY A 136 126.625 7.702 8.378 1.00 0.00 H new ATOM 0 HA2 GLY A 136 128.778 7.547 9.077 1.00 0.00 H new ATOM 0 HA3 GLY A 136 128.448 6.002 9.835 1.00 0.00 H new ATOM 2129 N LEU A 137 128.432 6.028 6.577 1.00 0.00 N ATOM 2130 CA LEU A 137 128.945 5.365 5.384 1.00 0.00 C ATOM 2131 C LEU A 137 130.105 6.144 4.755 1.00 0.00 C ATOM 2132 O LEU A 137 130.791 5.637 3.867 1.00 0.00 O ATOM 2133 CB LEU A 137 127.800 5.225 4.382 1.00 0.00 C ATOM 2134 CG LEU A 137 128.138 4.577 3.045 1.00 0.00 C ATOM 2135 CD1 LEU A 137 128.305 3.073 3.199 1.00 0.00 C ATOM 2136 CD2 LEU A 137 127.056 4.911 2.034 1.00 0.00 C ATOM 0 H LEU A 137 127.617 6.618 6.409 1.00 0.00 H new ATOM 0 HA LEU A 137 129.332 4.385 5.663 1.00 0.00 H new ATOM 0 HB2 LEU A 137 127.006 4.644 4.851 1.00 0.00 H new ATOM 0 HB3 LEU A 137 127.395 6.218 4.187 1.00 0.00 H new ATOM 0 HG LEU A 137 129.088 4.973 2.685 1.00 0.00 H new ATOM 0 HD11 LEU A 137 128.546 2.633 2.231 1.00 0.00 H new ATOM 0 HD12 LEU A 137 129.112 2.867 3.902 1.00 0.00 H new ATOM 0 HD13 LEU A 137 127.377 2.640 3.574 1.00 0.00 H new ATOM 0 HD21 LEU A 137 127.297 4.448 1.077 1.00 0.00 H new ATOM 0 HD22 LEU A 137 126.097 4.533 2.389 1.00 0.00 H new ATOM 0 HD23 LEU A 137 126.996 5.992 1.909 1.00 0.00 H new ATOM 2148 N LEU A 138 130.324 7.365 5.235 1.00 0.00 N ATOM 2149 CA LEU A 138 131.313 8.269 4.645 1.00 0.00 C ATOM 2150 C LEU A 138 132.730 7.700 4.681 1.00 0.00 C ATOM 2151 O LEU A 138 133.210 7.143 3.691 1.00 0.00 O ATOM 2152 CB LEU A 138 131.284 9.628 5.349 1.00 0.00 C ATOM 2153 CG LEU A 138 130.174 10.568 4.890 1.00 0.00 C ATOM 2154 CD1 LEU A 138 130.153 11.824 5.747 1.00 0.00 C ATOM 2155 CD2 LEU A 138 130.362 10.926 3.422 1.00 0.00 C ATOM 0 H LEU A 138 129.827 7.755 6.036 1.00 0.00 H new ATOM 0 HA LEU A 138 131.037 8.390 3.597 1.00 0.00 H new ATOM 0 HB2 LEU A 138 131.179 9.463 6.421 1.00 0.00 H new ATOM 0 HB3 LEU A 138 132.244 10.121 5.195 1.00 0.00 H new ATOM 0 HG LEU A 138 129.217 10.060 5.004 1.00 0.00 H new ATOM 0 HD11 LEU A 138 129.355 12.484 5.406 1.00 0.00 H new ATOM 0 HD12 LEU A 138 129.978 11.551 6.788 1.00 0.00 H new ATOM 0 HD13 LEU A 138 131.110 12.338 5.662 1.00 0.00 H new ATOM 0 HD21 LEU A 138 129.564 11.597 3.106 1.00 0.00 H new ATOM 0 HD22 LEU A 138 131.325 11.419 3.288 1.00 0.00 H new ATOM 0 HD23 LEU A 138 130.332 10.018 2.819 1.00 0.00 H new ATOM 2167 N GLU A 139 133.394 7.832 5.817 1.00 0.00 N ATOM 2168 CA GLU A 139 134.793 7.452 5.924 1.00 0.00 C ATOM 2169 C GLU A 139 135.045 6.752 7.258 1.00 0.00 C ATOM 2170 O GLU A 139 134.109 6.281 7.906 1.00 0.00 O ATOM 2171 CB GLU A 139 135.681 8.699 5.801 1.00 0.00 C ATOM 2172 CG GLU A 139 137.137 8.388 5.483 1.00 0.00 C ATOM 2173 CD GLU A 139 138.092 9.359 6.137 1.00 0.00 C ATOM 2174 OE1 GLU A 139 138.317 9.244 7.364 1.00 0.00 O ATOM 2175 OE2 GLU A 139 138.625 10.236 5.429 1.00 0.00 O ATOM 0 H GLU A 139 132.988 8.199 6.678 1.00 0.00 H new ATOM 0 HA GLU A 139 135.039 6.762 5.117 1.00 0.00 H new ATOM 0 HB2 GLU A 139 135.278 9.345 5.021 1.00 0.00 H new ATOM 0 HB3 GLU A 139 135.635 9.260 6.734 1.00 0.00 H new ATOM 0 HG2 GLU A 139 137.370 7.376 5.814 1.00 0.00 H new ATOM 0 HG3 GLU A 139 137.283 8.412 4.403 1.00 0.00 H new ATOM 2182 N HIS A 140 136.309 6.698 7.660 1.00 0.00 N ATOM 2183 CA HIS A 140 136.705 6.055 8.893 1.00 0.00 C ATOM 2184 C HIS A 140 136.160 6.820 10.093 1.00 0.00 C ATOM 2185 O HIS A 140 135.475 6.238 10.936 1.00 0.00 O ATOM 2186 CB HIS A 140 138.232 5.958 8.965 1.00 0.00 C ATOM 2187 CG HIS A 140 138.730 5.135 10.111 1.00 0.00 C ATOM 2188 ND1 HIS A 140 138.695 3.761 10.114 1.00 0.00 N ATOM 2189 CD2 HIS A 140 139.271 5.498 11.296 1.00 0.00 C ATOM 2190 CE1 HIS A 140 139.189 3.313 11.250 1.00 0.00 C ATOM 2191 NE2 HIS A 140 139.548 4.346 11.987 1.00 0.00 N ATOM 0 H HIS A 140 137.085 7.101 7.135 1.00 0.00 H new ATOM 0 HA HIS A 140 136.288 5.048 8.914 1.00 0.00 H new ATOM 0 HB2 HIS A 140 138.604 5.531 8.034 1.00 0.00 H new ATOM 0 HB3 HIS A 140 138.648 6.963 9.043 1.00 0.00 H new ATOM 0 HD2 HIS A 140 139.451 6.507 11.635 1.00 0.00 H new ATOM 0 HE1 HIS A 140 139.284 2.274 11.531 1.00 0.00 H new ATOM 0 HE2 HIS A 140 139.963 4.296 12.917 1.00 0.00 H new ATOM 2200 N HIS A 141 136.451 8.125 10.161 1.00 0.00 N ATOM 2201 CA HIS A 141 135.991 8.947 11.285 1.00 0.00 C ATOM 2202 C HIS A 141 136.490 10.393 11.200 1.00 0.00 C ATOM 2203 O HIS A 141 135.810 11.307 11.671 1.00 0.00 O ATOM 2204 CB HIS A 141 136.448 8.338 12.621 1.00 0.00 C ATOM 2205 CG HIS A 141 135.945 9.070 13.825 1.00 0.00 C ATOM 2206 ND1 HIS A 141 136.739 9.904 14.578 1.00 0.00 N ATOM 2207 CD2 HIS A 141 134.722 9.090 14.404 1.00 0.00 C ATOM 2208 CE1 HIS A 141 136.030 10.406 15.568 1.00 0.00 C ATOM 2209 NE2 HIS A 141 134.804 9.930 15.484 1.00 0.00 N ATOM 0 H HIS A 141 136.996 8.628 9.461 1.00 0.00 H new ATOM 0 HA HIS A 141 134.902 8.962 11.231 1.00 0.00 H new ATOM 0 HB2 HIS A 141 136.112 7.302 12.671 1.00 0.00 H new ATOM 0 HB3 HIS A 141 137.538 8.321 12.647 1.00 0.00 H new ATOM 0 HD2 HIS A 141 133.847 8.547 14.077 1.00 0.00 H new ATOM 0 HE1 HIS A 141 136.392 11.091 16.320 1.00 0.00 H new ATOM 0 HE2 HIS A 141 134.039 10.151 16.121 1.00 0.00 H new ATOM 2218 N HIS A 142 137.662 10.606 10.607 1.00 0.00 N ATOM 2219 CA HIS A 142 138.326 11.907 10.712 1.00 0.00 C ATOM 2220 C HIS A 142 137.698 12.950 9.779 1.00 0.00 C ATOM 2221 O HIS A 142 137.367 12.662 8.628 1.00 0.00 O ATOM 2222 CB HIS A 142 139.848 11.768 10.482 1.00 0.00 C ATOM 2223 CG HIS A 142 140.336 12.009 9.081 1.00 0.00 C ATOM 2224 ND1 HIS A 142 140.190 11.106 8.051 1.00 0.00 N ATOM 2225 CD2 HIS A 142 141.020 13.057 8.560 1.00 0.00 C ATOM 2226 CE1 HIS A 142 140.767 11.583 6.966 1.00 0.00 C ATOM 2227 NE2 HIS A 142 141.276 12.766 7.245 1.00 0.00 N ATOM 0 H HIS A 142 138.166 9.910 10.058 1.00 0.00 H new ATOM 0 HA HIS A 142 138.177 12.273 11.728 1.00 0.00 H new ATOM 0 HB2 HIS A 142 140.359 12.465 11.147 1.00 0.00 H new ATOM 0 HB3 HIS A 142 140.149 10.764 10.781 1.00 0.00 H new ATOM 0 HD1 HIS A 142 139.710 10.208 8.118 1.00 0.00 H new ATOM 0 HD2 HIS A 142 141.310 13.956 9.084 1.00 0.00 H new ATOM 0 HE1 HIS A 142 140.815 11.087 6.008 1.00 0.00 H new ATOM 2236 N HIS A 143 137.539 14.159 10.303 1.00 0.00 N ATOM 2237 CA HIS A 143 136.902 15.253 9.579 1.00 0.00 C ATOM 2238 C HIS A 143 137.891 15.887 8.601 1.00 0.00 C ATOM 2239 O HIS A 143 139.078 16.009 8.898 1.00 0.00 O ATOM 2240 CB HIS A 143 136.397 16.302 10.581 1.00 0.00 C ATOM 2241 CG HIS A 143 135.393 17.269 10.032 1.00 0.00 C ATOM 2242 ND1 HIS A 143 134.037 17.114 10.206 1.00 0.00 N ATOM 2243 CD2 HIS A 143 135.547 18.422 9.339 1.00 0.00 C ATOM 2244 CE1 HIS A 143 133.401 18.121 9.645 1.00 0.00 C ATOM 2245 NE2 HIS A 143 134.292 18.934 9.111 1.00 0.00 N ATOM 0 H HIS A 143 137.848 14.409 11.242 1.00 0.00 H new ATOM 0 HA HIS A 143 136.058 14.864 9.010 1.00 0.00 H new ATOM 0 HB2 HIS A 143 135.954 15.786 11.433 1.00 0.00 H new ATOM 0 HB3 HIS A 143 137.252 16.864 10.958 1.00 0.00 H new ATOM 0 HD2 HIS A 143 136.483 18.859 9.024 1.00 0.00 H new ATOM 0 HE1 HIS A 143 132.330 18.258 9.625 1.00 0.00 H new ATOM 0 HE2 HIS A 143 134.084 19.799 8.612 1.00 0.00 H new ATOM 2254 N HIS A 144 137.403 16.277 7.432 1.00 0.00 N ATOM 2255 CA HIS A 144 138.261 16.872 6.410 1.00 0.00 C ATOM 2256 C HIS A 144 138.084 18.385 6.390 1.00 0.00 C ATOM 2257 O HIS A 144 137.180 18.894 5.731 1.00 0.00 O ATOM 2258 CB HIS A 144 137.937 16.327 5.010 1.00 0.00 C ATOM 2259 CG HIS A 144 137.766 14.839 4.925 1.00 0.00 C ATOM 2260 ND1 HIS A 144 136.951 14.237 3.993 1.00 0.00 N ATOM 2261 CD2 HIS A 144 138.302 13.833 5.655 1.00 0.00 C ATOM 2262 CE1 HIS A 144 136.989 12.931 4.155 1.00 0.00 C ATOM 2263 NE2 HIS A 144 137.801 12.658 5.155 1.00 0.00 N ATOM 0 H HIS A 144 136.422 16.194 7.166 1.00 0.00 H new ATOM 0 HA HIS A 144 139.289 16.612 6.663 1.00 0.00 H new ATOM 0 HB2 HIS A 144 137.022 16.802 4.656 1.00 0.00 H new ATOM 0 HB3 HIS A 144 138.735 16.624 4.329 1.00 0.00 H new ATOM 0 HD2 HIS A 144 138.995 13.936 6.477 1.00 0.00 H new ATOM 0 HE1 HIS A 144 136.446 12.206 3.567 1.00 0.00 H new ATOM 0 HE2 HIS A 144 138.022 11.724 5.502 1.00 0.00 H new ATOM 2272 N HIS A 145 138.924 19.104 7.120 1.00 0.00 N ATOM 2273 CA HIS A 145 138.854 20.561 7.130 1.00 0.00 C ATOM 2274 C HIS A 145 140.108 21.152 7.757 1.00 0.00 C ATOM 2275 O HIS A 145 140.787 21.948 7.087 1.00 0.00 O ATOM 2276 CB HIS A 145 137.611 21.050 7.882 1.00 0.00 C ATOM 2277 CG HIS A 145 137.271 22.483 7.600 1.00 0.00 C ATOM 2278 ND1 HIS A 145 136.210 22.862 6.806 1.00 0.00 N ATOM 2279 CD2 HIS A 145 137.860 23.633 8.005 1.00 0.00 C ATOM 2280 CE1 HIS A 145 136.163 24.176 6.735 1.00 0.00 C ATOM 2281 NE2 HIS A 145 137.152 24.670 7.451 1.00 0.00 N ATOM 2282 OXT HIS A 145 140.421 20.799 8.910 1.00 0.00 O ATOM 0 H HIS A 145 139.657 18.708 7.709 1.00 0.00 H new ATOM 0 HA HIS A 145 138.783 20.897 6.096 1.00 0.00 H new ATOM 0 HB2 HIS A 145 136.762 20.423 7.612 1.00 0.00 H new ATOM 0 HB3 HIS A 145 137.771 20.926 8.953 1.00 0.00 H new ATOM 0 HD2 HIS A 145 138.726 23.718 8.645 1.00 0.00 H new ATOM 0 HE1 HIS A 145 135.436 24.752 6.182 1.00 0.00 H new ATOM 0 HE2 HIS A 145 137.358 25.661 7.574 1.00 0.00 H new TER 2291 HIS A 145